#DEFINITION	Reference Metabolome for Melia azedarach
#IDENTTFIER	RefMeta-Melia azedarach.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Melia azedarach
#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 Melia azedarach was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5694
Annotation	Unknow
Peak:m/z	Relative Intensity
76.84969	74.3
86.98475	81.7
92.33143	80.5
93.08115	75.0
110.36350	80.4
253.56667	77.8
467.74600	94.3
536.10889	97.9
654.50482	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
71.14776	100.0
80.28125	43.3
192.25505	49.4
227.88467	50.3
277.21585	51.3
328.98425	47.2
731.86926	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	3.4
71.54485	0.2
72.99314	0.4
73.02953	1.0
78.79716	0.3
83.01384	0.4
83.35357	0.2
85.02953	1.9
89.02445	2.9
91.44601	0.2
93.03442	0.9
95.01399	0.3
95.05048	0.2
99.04485	0.2
101.02456	2.1
103.04019	0.3
107.01369	1.2
109.02988	0.4
113.02450	1.3
119.03497	1.0
121.03026	0.3
125.02493	0.3
129.01956	0.5
132.02199	0.3
135.00887	0.6
137.02414	0.3
139.13544	0.2
143.03506	0.3
143.05011	0.4
151.00348	1.8
157.06587	0.4
159.04457	0.5
163.00386	1.3
163.11266	1.0
165.01869	0.3
165.05533	0.2
166.02333	0.2
167.04988	0.3
169.06569	0.4
171.04501	0.4
173.06065	0.3
178.99892	0.3
181.12332	7.5
183.04474	0.5
185.06023	1.3
187.03951	1.7
189.05579	0.6
195.04530	0.3
197.06076	0.7
199.03932	0.8
211.04010	1.1
213.05562	1.5
225.11308	18.7
226.11559	0.5
227.03487	14.6
228.03902	0.5
229.05034	6.5
239.03490	1.4
240.04286	0.4
241.04939	0.8
243.02979	0.4
243.12332	0.4
255.02982	32.2
256.03586	3.0
257.04553	3.9
267.02960	0.7
271.02570	0.3
283.02441	0.5
284.03253	42.6
285.04013	55.9
286.04333	2.4
300.02679	0.5
301.03400	0.3
327.05167	0.5
405.17578	41.9
406.17972	1.5
435.10455	0.3
465.72821	0.3
505.09671	0.5
529.19086	0.4
539.16901	0.2
593.15088	100.0
594.15369	7.0
595.15509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81100	0.9
70.75765	0.3
83.01389	0.5
107.01389	0.7
108.02152	0.7
109.02930	0.9
117.27664	0.2
119.01356	0.3
121.02933	0.9
125.02427	0.3
135.00868	0.5
148.01675	0.6
149.02469	0.4
151.00366	6.7
151.01573	0.4
163.00374	1.0
163.03896	0.3
164.01167	0.4
178.99844	3.1
181.84010	0.3
189.05426	0.3
211.04025	0.5
226.02731	0.5
227.03493	1.2
243.02953	5.0
243.05322	0.4
245.04510	0.6
254.02185	1.4
255.02979	14.7
256.03494	0.6
271.02463	33.0
272.02927	2.1
273.04047	0.4
283.02362	0.5
299.02151	0.4
300.02740	64.0
301.03476	20.4
302.03918	0.6
408.01917	0.3
609.14575	100.0
610.14752	6.1
611.15143	0.4
734.22046	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
70.75447	0.2
71.53931	0.3
83.01385	0.4
85.02957	0.6
86.36823	0.2
87.16264	0.1
91.01927	0.2
93.03456	0.2
98.20348	0.2
107.01397	1.5
108.02137	0.9
109.02944	0.6
116.82642	0.2
121.02958	1.2
125.02465	0.3
135.00873	0.3
138.01988	1.8
143.23222	0.2
148.01657	0.6
149.02411	0.2
149.40649	0.1
151.00371	6.4
151.01588	0.3
163.00372	1.3
164.01151	0.2
169.01451	0.2
178.99866	3.2
182.65323	0.2
182.83498	0.2
183.04568	0.4
185.06181	0.1
187.04019	0.3
190.99919	0.2
191.01895	0.2
192.00626	0.3
199.04030	0.3
201.05502	0.2
209.03111	0.2
211.03957	0.6
215.03606	0.3
216.04222	0.2
226.02585	0.8
227.03520	1.3
229.05019	0.5
239.03215	0.2
243.02977	4.6
244.03540	0.4
245.04477	0.8
254.02246	1.2
255.02979	14.1
256.03427	0.6
271.02472	30.7
272.03018	1.8
273.03995	0.7
283.02487	0.7
286.97867	0.2
299.01965	0.7
300.02740	63.6
301.03488	24.0
302.03879	0.8
313.54895	0.2
343.04535	0.7
387.13330	0.4
609.14594	100.0
610.14905	6.4
817.40930	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.267
Annotation	Unknow
Peak:m/z	Relative Intensity
70.32590	0.8
70.32977	0.2
71.01392	0.3
83.01405	0.4
83.82244	0.2
101.02390	0.2
107.01410	1.4
108.02198	0.8
109.02956	0.7
111.46786	0.2
114.83882	0.2
121.02979	0.8
123.19509	0.2
135.00916	0.5
142.31964	0.2
148.01666	0.6
150.99190	0.4
151.00362	5.9
155.38000	0.2
163.00383	1.0
164.01022	0.3
165.27077	0.2
166.87843	0.2
178.99872	3.0
189.02063	0.2
201.05562	0.3
207.03047	0.3
211.04016	0.4
226.02702	0.7
227.03473	1.3
228.04123	0.3
239.03755	0.2
243.02975	5.0
245.04486	0.5
254.02330	1.3
255.02988	14.4
256.03448	0.9
271.02475	29.9
272.02911	2.0
273.03964	0.6
283.02527	0.6
299.02002	0.8
300.02744	66.9
301.03461	20.4
302.03885	0.9
326.45227	0.2
343.04578	0.4
609.14587	100.0
610.14941	8.8
610.24994	0.4
729.28040	0.3
752.96289	0.3
922.70496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	0.5
69.69137	0.9
69.69559	1.7
71.01383	24.0
72.99308	0.8
73.02946	7.9
76.54964	0.4
83.01396	4.6
85.02947	15.2
85.03469	0.8
87.00867	1.4
89.02445	6.1
95.01383	2.1
97.02945	0.7
97.06609	0.5
98.20032	0.9
98.20592	0.5
99.00873	4.0
100.25037	0.4
101.02439	19.9
102.02783	0.4
111.00863	0.8
113.02451	12.2
115.83868	0.4
119.03494	2.5
123.08105	0.5
125.02444	0.9
129.01930	0.8
131.03464	0.6
137.09679	0.8
143.03484	1.0
143.04541	0.4
143.10675	0.4
149.09665	0.5
159.02989	2.2
159.04089	0.4
161.04547	8.7
166.38234	0.3
167.21492	0.4
172.31902	0.4
182.38498	0.5
209.15440	5.9
215.87831	0.4
221.15480	0.4
311.26001	0.9
353.19693	19.0
359.27939	1.5
371.20712	25.8
372.21005	0.9
374.13684	0.4
413.21786	100.0
414.22186	5.0
471.34821	0.4
521.33313	27.4
522.33655	2.1
980.98260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	25.9
71.52299	19.7
115.00371	15.8
136.71704	14.7
171.54550	16.4
175.02423	18.1
201.11322	28.4
209.11826	100.0
255.36122	15.4
260.71332	15.9
260.74597	13.9
277.21573	19.0
295.22702	19.9
397.13242	30.1
399.13690	16.0
966.47961	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	967.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
69.01154	0.1
69.39653	0.4
79.95303	0.2
79.95726	4.3
95.64777	0.1
95.95251	0.2
96.96011	71.9
98.20691	0.1
122.97584	0.2
151.00652	0.1
201.09496	0.1
209.15498	0.1
227.51335	0.1
289.11139	100.0
290.11475	2.8
454.77576	0.1
466.05429	0.1
677.26672	0.5
680.24384	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	967.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30546	0.1
69.30951	0.4
71.01380	0.1
73.02939	0.1
77.87631	0.1
79.95295	0.2
79.95724	5.0
82.16169	0.1
83.59898	0.1
85.02916	0.1
85.72715	0.1
95.94728	0.1
95.95309	0.2
96.96009	77.9
97.95945	0.1
101.02431	0.2
103.04016	0.1
113.02464	0.1
113.91354	0.1
119.05017	0.3
122.97556	0.1
154.17238	0.1
161.04488	0.1
167.00114	0.1
201.74875	0.1
265.09354	0.1
289.11139	100.0
290.11469	3.5
291.45465	0.1
455.13776	0.2
677.26605	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.6154
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95297	0.2
79.95722	4.2
85.02939	0.1
87.41886	0.1
95.94750	0.0
95.95277	0.1
96.96006	72.0
97.95954	0.1
122.97593	0.1
151.00743	0.1
161.03537	0.1
289.11121	100.0
290.11447	3.3
300.02649	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	2.3
71.01382	19.9
71.52624	1.4
72.99311	1.3
73.02957	3.1
81.03432	2.7
83.01394	2.8
83.05035	5.3
85.02949	4.9
87.00879	3.2
89.02444	15.7
97.02950	3.1
101.02443	15.0
105.30183	1.2
113.02453	10.0
119.03526	4.9
125.02433	6.7
125.09722	3.8
126.20502	1.6
127.11269	2.5
130.25987	1.3
143.76138	1.3
155.10762	2.6
161.04538	4.4
163.11313	1.8
165.12854	2.0
171.10214	3.0
179.05594	5.1
201.11322	76.5
209.11826	100.0
210.12221	2.4
217.07074	2.1
221.06636	3.0
225.11336	1.4
227.12880	10.4
235.08345	6.2
248.50906	1.3
272.96124	1.5
277.21729	60.0
278.22012	2.9
295.34738	1.4
305.08667	2.4
379.12469	13.0
397.13498	54.6
398.13629	1.8
415.14609	12.4
581.24323	5.7
589.24951	5.1
599.25623	4.2
607.26178	4.7
657.34674	3.4
675.36188	6.8
837.58636	1.3
859.46960	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	961.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92827	1.9
69.93176	5.2
71.01066	1.4
71.01391	14.8
72.99292	1.7
73.02943	3.9
75.81128	0.9
78.95884	2.3
80.96481	1.1
83.01389	1.5
85.02950	4.4
87.00893	3.4
89.02441	12.2
93.46445	1.2
95.01319	1.4
97.02924	2.3
98.19982	1.6
101.02457	11.3
113.02465	7.1
119.03502	2.6
125.02422	4.6
143.03514	2.1
161.04520	3.0
179.05595	4.7
183.13911	5.6
193.12321	1.7
202.33473	1.1
211.13383	100.0
212.13770	2.5
235.08139	3.5
277.21713	49.6
287.07803	1.5
305.08832	1.8
327.21591	1.4
379.12427	13.9
397.13486	32.9
415.14505	5.9
591.26526	13.7
609.27484	10.5
652.69629	1.3
657.34705	3.3
675.36200	3.6
732.33093	1.2
868.40906	1.2
869.48480	2.4
961.49158	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02296	0.4
73.02929	0.3
74.46341	0.3
75.68956	0.2
83.01386	0.5
85.02966	0.9
89.02438	1.0
93.03457	0.8
98.20021	0.3
99.04509	0.5
101.02441	0.9
103.03988	0.6
107.01400	1.3
113.02433	0.5
121.02975	0.3
132.02187	0.4
135.00902	1.0
137.02480	0.3
141.86665	0.2
143.03546	0.2
143.05014	0.4
145.02888	0.2
147.96280	0.2
150.03284	0.3
151.00354	1.7
154.04173	0.3
157.06570	0.3
159.04506	0.7
161.04446	0.3
163.00328	1.6
165.01938	0.4
167.05029	0.4
169.06563	0.5
171.04451	0.3
179.05591	0.3
183.04518	0.3
183.13338	0.2
185.06102	1.4
187.03979	1.3
189.05603	0.7
191.01970	0.4
195.04550	0.5
195.06325	0.2
196.05235	0.4
197.06113	0.5
199.03987	0.6
201.05627	0.4
205.12364	0.5
211.04013	1.7
213.05525	1.0
227.03494	16.4
228.03903	0.6
229.05005	6.9
239.03500	1.4
240.04245	0.4
241.05162	1.2
249.11292	0.8
255.02982	40.5
256.03604	3.0
257.04547	4.6
265.09290	0.4
267.03119	0.4
283.02368	0.7
284.03250	65.6
285.04013	68.1
286.04385	2.3
429.17606	2.5
437.16797	0.3
489.10361	100.0
490.10703	5.4
533.26038	2.3
537.38123	0.3
570.40393	0.3
666.47620	0.3
785.02576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
68.59527	0.7
69.03458	1.5
71.01377	15.4
72.99306	1.7
73.02954	1.7
81.03469	1.1
83.01396	1.8
85.02951	4.0
87.00891	4.6
89.02444	14.8
92.91512	0.7
95.01395	1.0
96.96011	1.3
97.02950	3.1
98.19896	2.1
99.00880	0.8
101.02438	11.6
108.80635	0.7
109.06625	0.7
111.00918	0.7
113.02447	7.3
119.03481	3.8
125.02432	6.4
131.03481	0.8
133.05038	0.7
139.03996	0.7
143.03455	3.0
145.02835	0.7
161.04549	4.1
167.14336	0.9
179.05545	4.0
183.13893	7.3
193.12410	1.2
207.10304	0.8
211.13380	100.0
212.13718	1.6
217.07184	1.1
221.06523	1.5
229.23676	0.7
235.08275	4.8
235.39513	0.7
253.09148	0.7
259.08289	0.8
277.21707	61.1
277.63953	0.6
278.22046	2.1
287.07712	2.4
305.08737	2.6
323.09906	1.0
323.39700	0.6
379.12457	13.0
397.13470	45.8
398.13910	1.0
415.14557	7.9
591.26556	11.5
609.27594	8.6
657.34998	5.1
675.35779	8.8
676.36194	0.9
787.10504	0.8
869.49048	4.2
910.96582	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
72.92551	62.6
75.81963	78.0
79.16811	58.1
100.48158	61.1
206.80875	63.8
209.11787	96.3
216.10493	68.3
224.15002	64.5
255.23177	83.5
257.48175	71.2
268.19623	67.2
279.80954	72.4
347.44238	66.3
397.13214	100.0
631.41681	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.303
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	40.8
71.05021	4.3
72.99302	3.3
73.02947	5.0
74.01340	1.0
83.01392	4.0
83.21464	1.0
85.02950	11.8
87.00871	3.5
89.02445	40.5
91.05535	2.6
95.01410	2.2
96.96003	5.5
97.02962	1.0
99.00906	1.4
99.04511	5.3
101.02437	23.9
104.89774	1.0
107.05020	1.4
108.02162	1.7
109.06579	3.4
111.04511	2.5
113.01712	1.8
113.02447	19.1
113.30822	1.1
119.03492	17.1
119.04901	1.2
123.00877	1.2
123.04517	3.6
125.02415	1.2
129.07080	1.4
131.03499	2.1
131.05022	1.1
134.03703	2.6
136.01657	3.1
137.39998	0.9
143.03535	5.7
143.08624	2.0
146.03665	1.3
147.11798	4.0
148.05331	4.5
149.02448	1.4
149.04515	1.7
150.03171	2.9
151.03990	2.1
153.01917	1.0
157.10182	1.7
159.11792	28.1
161.02484	1.6
161.04581	7.6
161.05836	1.9
162.03186	3.9
165.01894	1.7
165.05505	3.0
175.03990	1.8
177.05621	6.2
177.12868	9.5
179.05598	21.0
180.04306	2.3
181.04678	1.1
188.04573	1.0
191.10750	2.3
195.04834	2.5
195.06572	5.0
203.03522	1.4
203.05591	1.2
203.10768	38.4
204.11012	1.6
207.06567	3.5
221.11812	38.2
222.12137	1.4
235.09770	1.3
241.04999	3.0
247.06078	5.6
247.09743	13.4
249.07658	1.7
251.03264	1.6
251.05609	21.1
256.07565	1.2
265.10818	11.8
271.02225	1.0
271.06320	1.3
271.09689	2.5
289.07150	1.7
291.05093	6.7
307.08130	1.4
316.02185	3.6
319.11893	1.1
341.15921	1.4
349.09201	2.3
351.07196	17.1
359.17041	3.5
383.16971	3.8
401.18152	43.1
402.18616	2.2
415.16025	2.9
426.18924	1.0
427.16080	34.4
428.16632	2.0
441.12558	1.8
443.15695	1.3
445.17035	100.0
446.17221	4.7
452.09973	1.0
453.17896	0.9
469.13504	2.3
476.73044	1.0
495.88776	1.0
513.12469	15.8
551.17908	1.2
625.14056	5.8
663.24152	1.6
711.26563	1.1
724.60980	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
68.97282	1.0
69.03452	1.0
70.83096	2.5
71.01381	14.7
73.02950	1.2
75.00867	1.0
78.95903	1.7
80.86532	1.1
81.03466	2.3
81.85827	1.4
83.01370	1.8
83.05025	4.5
85.02947	3.3
87.00885	4.1
88.98831	1.0
89.02450	13.9
89.74596	1.0
95.01393	1.3
97.02943	3.1
101.02431	11.1
113.02444	7.1
116.92842	2.5
119.03492	3.5
125.02442	5.5
143.03473	2.2
161.04536	3.4
163.11331	3.2
165.12859	2.1
167.03474	1.4
179.05547	2.0
209.11819	100.0
210.12169	2.7
213.66222	1.0
227.12877	12.1
235.08273	3.4
255.23296	55.4
256.23621	1.5
287.07837	1.2
296.09048	1.5
298.12485	0.9
305.08765	1.5
379.12457	16.8
389.52505	1.0
397.13474	42.5
398.13956	1.6
415.14511	4.5
478.11600	1.2
581.82623	1.2
589.24731	4.2
607.25787	4.9
635.36426	3.5
653.37457	8.3
697.86737	1.4
845.49524	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	1.7
71.01382	19.4
71.05019	1.8
71.36730	2.0
73.02970	2.5
83.01357	1.9
85.02956	4.2
87.00871	5.5
89.02455	7.9
95.01372	1.5
97.02954	12.3
97.06570	2.3
99.00871	17.9
101.02443	8.6
109.06575	2.5
110.03701	1.6
113.02428	5.1
119.03461	2.2
125.02458	8.2
125.09691	6.2
142.02637	2.1
163.11282	11.3
179.05569	1.8
181.12354	17.6
199.13365	3.9
207.10262	51.9
209.11856	2.3
225.11313	89.3
226.11655	2.6
243.12367	34.2
277.21707	51.0
317.16150	3.1
379.12576	2.1
397.13422	7.4
415.14645	2.2
605.14911	1.5
605.24512	26.9
606.25012	2.0
623.25500	29.3
793.43622	1.5
883.47003	100.0
884.47284	11.6
943.47980	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	2.3
71.01380	16.3
71.53254	2.1
72.99318	2.3
73.02982	2.6
75.00883	1.7
75.09283	1.3
83.01401	2.2
85.02960	4.8
87.00880	6.7
89.02448	7.0
95.01367	2.1
97.02964	10.3
97.06552	2.6
97.93861	1.4
99.00888	20.3
101.02435	10.8
113.02454	5.4
115.00362	1.6
125.02451	6.0
125.09724	6.0
142.02701	2.1
143.03546	2.9
150.99361	1.5
154.06415	1.9
161.04602	1.5
163.11298	9.0
175.02498	2.6
181.12340	17.1
199.13245	2.0
207.10252	51.6
209.11940	1.7
213.10913	1.5
225.11314	73.8
235.08209	3.1
243.12357	25.6
277.21710	57.7
278.22116	2.2
298.35727	1.7
342.46268	1.4
397.13553	8.2
415.14578	2.6
468.25696	1.5
488.99033	1.6
605.24445	21.4
620.31720	1.5
623.25360	11.2
720.35980	1.7
883.46942	100.0
884.47034	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	38.9
72.00540	0.5
72.01714	0.7
72.99310	3.4
73.02951	0.9
81.07079	0.7
83.01400	1.5
85.02956	8.8
87.00887	2.4
89.02447	45.1
93.07091	0.8
95.01397	2.2
95.05007	0.8
98.81047	0.6
99.04514	6.8
101.02444	21.7
111.04536	1.3
113.02458	15.5
119.03507	20.4
131.03526	3.0
143.03506	4.6
149.04573	1.4
149.06052	0.7
150.03262	1.2
161.04581	5.3
161.13361	15.5
165.05536	0.7
179.05606	25.3
187.11256	2.5
205.12328	44.4
206.12659	1.5
209.11847	0.8
229.02650	0.6
249.11311	54.1
250.11687	1.8
256.38126	0.6
344.93213	0.6
347.59860	0.5
356.43604	0.6
385.18683	11.2
386.18854	0.6
429.17645	100.0
430.17941	5.8
550.88678	0.6
598.38269	0.6
918.56378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01860	0.5
67.14951	0.5
69.03459	1.1
69.19730	4.7
71.01376	0.7
71.05021	0.7
80.02674	1.2
81.03454	4.0
83.01389	7.9
83.05022	2.4
84.02179	0.6
93.03423	0.5
95.05030	3.5
97.02941	3.8
97.06573	5.5
98.20566	1.5
106.04243	0.8
107.05043	0.7
107.39867	0.5
109.06589	1.7
111.08155	0.9
116.92884	1.2
119.08669	1.1
121.02938	0.5
121.06570	1.6
121.10243	0.7
123.04532	6.6
123.08147	3.2
125.06078	0.8
125.09723	13.3
127.07645	0.5
131.05043	0.6
135.04408	0.5
135.08188	3.0
137.06091	1.3
137.09726	9.1
139.11256	0.8
141.12852	1.9
142.02686	0.9
148.08981	0.7
149.06046	1.1
149.09685	0.8
153.12856	0.6
154.16063	0.5
161.09703	1.2
162.10487	0.8
163.07607	1.4
163.11292	13.8
165.09229	1.1
165.12769	3.0
167.10757	2.1
171.10252	1.7
173.09691	0.9
174.10533	0.9
175.11261	0.9
177.12816	1.3
179.10690	1.2
181.12323	2.5
185.11830	12.0
189.12910	1.0
191.10840	3.4
191.14403	14.4
197.11771	0.8
202.13609	0.6
207.10246	7.9
209.11819	76.0
210.12157	1.7
211.13341	1.7
215.14406	0.5
217.15979	1.8
219.13878	0.5
225.11316	6.0
226.12065	0.9
227.18114	1.1
231.10208	0.5
237.11246	0.6
238.12000	0.5
243.17642	0.9
245.19081	31.8
246.19467	1.4
251.12837	0.8
261.18527	0.8
263.20163	2.5
271.17038	3.6
279.19641	0.9
285.46512	0.5
287.16531	0.5
289.18082	100.0
290.18414	5.2
300.00351	0.5
307.19135	99.1
308.19424	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	937.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.4
69.03432	0.4
69.19650	3.0
71.01015	0.4
71.01379	7.0
72.99310	0.5
73.02940	1.7
78.98073	0.3
82.25524	0.3
82.27507	0.3
83.01364	0.9
85.02940	4.1
87.00870	0.3
89.02438	2.3
95.01371	0.6
99.00861	0.8
99.04500	0.3
101.02421	3.2
103.04017	0.4
107.01394	1.7
108.02171	0.5
109.02943	0.7
113.02441	4.4
119.03513	0.9
121.02937	0.9
125.02422	0.8
129.01904	0.8
130.48174	0.3
135.00854	1.2
137.09738	0.3
143.03401	0.5
143.06523	0.4
148.01678	0.4
151.00357	6.2
152.08415	0.4
161.02452	0.3
161.04552	0.8
162.56039	0.3
163.00378	1.6
164.01097	0.5
167.03481	1.4
169.01360	0.4
178.99838	2.7
190.99863	0.5
197.15533	0.4
199.03925	0.4
207.13821	0.9
211.03990	0.4
215.03430	0.4
216.04318	0.4
225.14920	2.5
226.02705	1.0
227.03481	1.0
229.05086	0.4
243.02914	4.7
244.03448	0.4
245.04507	0.7
254.02182	1.2
255.02951	14.0
256.03500	0.9
271.02451	30.9
272.02951	2.4
273.04059	0.7
283.02423	1.1
299.01852	0.5
300.02725	67.4
301.03467	30.1
302.03812	1.7
323.09738	0.6
329.13327	0.3
343.04910	0.4
345.10312	0.3
354.69876	0.3
369.19138	35.0
370.19467	1.7
387.20215	22.7
388.20508	1.1
408.05914	0.4
416.39124	0.3
429.21271	20.6
430.21548	1.3
443.19193	0.4
452.74866	0.3
463.08783	100.0
464.09085	7.5
465.09155	0.7
473.16553	0.3
479.22620	0.3
629.75250	0.3
638.22974	0.3
638.33948	0.3
908.03796	0.3
963.18695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52353	0.6
96.96015	1.3
99.04514	1.2
171.94682	0.7
174.34627	0.7
203.59662	0.9
209.11797	1.9
307.19260	1.2
452.15082	1.0
481.15234	2.4
495.16595	7.2
496.16568	1.0
508.17087	0.8
509.18546	1.2
536.17334	1.0
540.16010	2.2
551.19409	24.1
552.19446	2.5
572.15607	2.6
586.17328	1.4
595.18164	1.7
627.20966	100.0
628.21161	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	927.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
67.20959	0.1
69.23473	0.3
69.23899	0.4
70.04942	0.1
76.40556	0.1
79.95304	0.2
79.95724	4.3
86.05514	0.1
95.95274	0.2
96.96009	66.3
97.95930	0.1
98.20705	0.1
98.95609	0.4
98.96196	0.1
114.83433	0.1
122.97530	0.2
137.02478	0.1
168.21031	0.1
289.11133	100.0
290.11444	4.9
291.10794	0.4
383.64954	0.1
445.77432	0.1
508.19299	0.1
542.16077	0.1
640.37476	0.1
756.52802	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	931.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	0.5
71.01379	3.6
71.53916	0.4
72.99300	1.2
75.00880	0.9
78.43777	0.3
83.01386	1.7
84.02168	2.6
85.02946	100.0
86.03283	1.1
87.00865	1.5
89.02442	0.3
96.96021	0.7
101.02440	1.0
103.00362	1.6
107.01384	0.4
109.02928	0.3
111.00860	0.9
115.00335	0.7
122.08228	0.3
129.01930	7.3
129.02861	0.6
129.09213	5.2
133.01469	0.4
147.02988	8.8
151.00357	1.5
163.00369	0.3
173.00879	0.8
178.99890	0.8
191.01962	51.0
192.02333	1.1
197.11777	0.4
198.41776	0.3
201.96951	0.3
209.03008	3.1
209.83513	0.3
223.06284	0.3
226.02701	0.3
227.03639	0.3
234.61403	0.3
243.02913	1.3
254.02106	0.4
255.02902	4.5
256.03464	0.3
271.02444	9.1
272.02875	0.6
300.02728	20.3
301.03424	5.5
302.03931	0.4
303.10837	2.7
321.11887	60.1
322.12189	1.8
420.77316	0.3
609.14557	35.0
610.14972	2.0
759.86676	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99550	30.9
71.01392	12.5
89.02435	9.2
90.66807	4.9
95.11100	4.9
98.20667	12.1
101.02448	9.6
112.98554	23.9
119.03475	6.5
122.92079	5.7
125.02418	5.0
209.11815	100.0
227.12874	20.2
255.23276	45.8
277.21838	6.0
339.38623	6.3
379.12592	25.6
397.13538	50.6
415.14462	7.8
502.21243	6.3
507.70544	7.2
560.88873	5.7
589.25439	12.7
629.61969	5.3
635.36469	20.8
653.37982	14.4
785.42810	5.4
845.50415	12.5
931.50714	79.7
932.50867	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	921.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
64.95893	1.6
69.21359	9.0
69.21781	5.8
71.01381	11.0
71.05042	1.7
73.02925	2.6
83.01370	2.6
83.05037	2.2
85.02935	4.0
87.00874	7.3
89.02447	9.1
97.02955	10.2
97.06605	2.2
99.00883	16.5
101.02454	9.0
112.03111	1.4
113.02455	5.1
125.02391	4.5
125.09710	6.4
142.02704	2.3
145.02966	2.0
161.09593	1.6
163.11273	7.9
176.20419	1.9
179.05556	1.8
181.12341	14.7
199.13319	1.9
207.08353	3.3
207.10242	45.0
209.11794	7.0
225.11307	65.4
235.08112	3.8
239.62201	1.7
243.12311	23.0
255.23270	59.2
256.23407	1.9
281.24896	3.6
323.09396	1.6
332.77377	1.7
379.12323	3.3
397.13248	8.2
415.14206	2.5
447.11252	1.6
605.24500	19.2
623.25067	8.5
798.74805	1.8
861.48419	100.0
862.48822	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	920.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
66.83963	15.9
67.04533	16.9
71.01376	35.3
99.00873	62.6
118.00352	15.2
134.03731	40.8
142.57329	19.9
154.52763	15.3
160.01637	61.3
175.04001	100.0
193.05013	58.2
201.11272	21.4
209.11751	32.4
236.27405	18.8
253.55249	16.7
275.81851	16.7
293.20898	19.4
309.20572	23.7
396.54102	18.3
397.13373	23.0
552.67584	19.9
581.77563	18.2
594.22424	19.7
667.23035	29.4
797.27563	39.2
825.26385	48.2
952.35651	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	2.0
71.01382	14.2
72.99301	1.0
73.02940	6.1
75.00871	0.6
75.35941	0.4
83.01387	1.9
83.05024	6.0
85.02953	14.2
85.03468	0.8
85.36397	0.4
87.00890	2.2
87.04552	0.4
87.12393	0.5
89.02447	60.8
90.02748	0.7
93.03436	1.0
95.01392	1.6
96.02170	0.4
98.20145	3.3
99.00885	1.4
99.04520	1.2
101.02448	7.4
103.04017	32.6
109.02945	1.3
111.00853	0.4
111.04523	35.8
112.04839	0.7
113.02451	8.8
115.00370	2.7
119.03510	3.8
123.08138	2.7
128.03535	0.8
129.05582	1.1
131.03519	3.0
133.02917	1.1
135.04510	1.1
143.03502	1.2
143.04651	1.2
145.05020	1.2
147.04530	0.9
149.06071	5.0
155.03508	52.9
156.03851	0.9
157.05089	0.7
161.02429	5.3
161.04543	1.9
161.05853	0.6
167.07129	11.7
173.03139	0.6
173.04550	8.6
173.06001	0.5
175.02510	5.6
175.03976	1.1
177.01894	2.2
177.05692	0.5
179.05673	0.5
187.03995	0.8
189.05624	0.6
191.03360	0.6
193.04955	1.2
197.11797	1.3
203.03516	0.6
215.03461	0.8
219.02956	2.4
231.06548	0.7
233.04417	1.9
237.04018	3.9
241.10803	6.7
245.04628	0.8
247.08212	13.5
265.09283	64.4
266.09457	1.6
273.07428	0.7
275.05487	0.9
277.03369	1.0
293.06348	1.3
306.07806	2.6
307.10245	0.8
337.05502	7.1
337.11224	29.7
338.11438	1.2
340.23907	0.6
403.12271	4.5
404.14896	0.6
421.13083	100.0
422.13406	4.7
499.10928	30.0
500.10925	1.5
612.89111	0.5
616.23889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45530	100.0
99.00877	20.1
114.77223	14.0
210.06854	45.3
211.07176	19.5
225.09129	42.3
226.09526	26.4
247.78137	17.1
344.31485	14.7
544.69678	14.6
641.10101	13.2
758.46289	15.6
828.27722	23.5
850.02771	16.0
881.54980	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	920.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
75.32162	65.2
90.50718	72.3
95.20611	68.8
225.09270	100.0
308.07001	71.2
351.49518	64.5
658.52783	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03472	2.0
71.01382	100.0
71.44225	1.5
72.01744	1.6
72.99300	1.2
73.02969	6.1
76.46378	1.3
81.03446	2.3
83.01392	2.7
85.02933	3.9
87.00880	6.4
89.02454	19.7
95.01332	1.3
97.02943	7.4
99.00871	3.6
101.02444	16.4
109.06594	6.6
113.02440	9.0
119.03513	4.5
124.81358	1.2
125.02429	6.6
125.09742	2.4
127.11298	2.7
134.04645	1.4
142.02858	1.2
143.03525	3.5
150.52985	1.2
153.09338	1.3
161.04532	5.0
163.11256	4.0
171.10274	51.0
179.05582	3.9
181.12271	2.2
199.09773	12.7
201.11311	14.3
207.10248	20.8
209.11879	1.7
221.06612	1.8
225.11304	15.4
235.08234	4.5
243.12288	2.5
277.21722	74.5
278.22107	2.9
305.08679	1.5
319.85483	1.6
323.09698	2.0
379.12326	5.3
386.37183	1.6
397.13519	38.5
398.13617	2.3
415.14502	11.0
579.22455	1.9
597.24023	2.0
605.24310	2.6
623.25354	1.5
857.45642	4.4
882.19897	1.6
883.46960	12.7
884.47986	2.9
901.47369	1.9
919.49017	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	919.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32021	0.7
68.99809	1.1
69.03460	1.5
69.49315	1.7
69.49731	4.1
71.01382	100.0
72.99307	2.1
73.02970	4.5
79.51820	0.7
81.03455	1.0
83.01401	1.7
83.05054	0.8
84.02094	0.7
85.02941	5.9
87.00890	4.9
89.02438	15.5
95.01396	1.6
97.02950	5.3
97.06574	1.1
99.00896	2.2
101.02445	15.3
102.47665	0.7
109.02965	0.8
109.06582	7.3
113.02470	8.7
119.02757	0.7
119.03485	3.8
124.01640	0.8
125.02439	5.9
125.09727	2.4
127.11293	2.4
135.08150	1.4
139.04066	1.1
143.03523	2.1
155.10825	0.9
161.04581	3.5
163.11308	3.9
171.10265	49.3
172.10571	1.3
179.05582	4.2
181.12262	1.1
185.11855	1.0
199.09769	9.0
199.13446	2.0
201.11311	11.9
207.10262	20.3
215.13025	0.8
221.06696	1.8
225.11322	11.3
226.32707	0.8
235.08171	5.6
243.12373	1.1
253.09233	1.6
263.08005	1.3
277.21716	65.1
278.22083	2.8
287.07684	2.1
291.23291	0.8
305.08853	1.6
323.09760	1.1
379.12433	5.8
380.13223	0.9
397.13504	37.2
398.14291	1.0
405.26349	1.0
415.14688	9.7
597.23370	1.0
605.25171	1.8
857.46045	3.4
883.46753	10.6
884.48407	2.4
901.48846	2.2
919.49072	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	919.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
68.22839	0.8
69.03465	2.3
70.00446	1.5
70.00851	3.7
71.01383	100.0
72.99326	2.1
73.02953	3.8
83.01391	2.1
83.05051	1.8
85.02949	5.5
87.00877	5.7
89.02444	17.7
95.01389	2.4
96.96015	8.2
97.02964	5.2
99.00887	2.7
99.76357	0.9
101.02443	15.0
109.06614	8.9
111.04559	1.1
113.02451	9.9
119.03508	4.7
125.02448	7.2
125.09720	3.2
127.11306	3.6
131.03465	1.8
135.08159	1.6
135.46716	0.9
139.03992	1.4
143.03497	2.6
153.09175	1.2
155.10817	2.5
161.04529	5.8
163.11266	6.0
167.03526	1.1
171.10269	62.5
172.10614	1.4
179.05649	5.7
181.08701	1.5
181.12358	2.0
189.09192	0.9
197.02901	0.9
199.09758	15.9
199.13374	1.3
201.11314	22.1
202.90350	0.8
207.10252	28.8
209.11818	1.7
217.07072	1.1
221.06664	3.6
225.11298	20.2
226.11728	1.0
227.05539	0.9
235.08215	7.2
243.12379	3.7
253.09262	1.9
263.07620	1.1
265.14728	14.0
277.21719	62.1
278.21979	3.8
281.08844	1.1
287.07767	1.5
305.08691	2.5
323.09866	1.4
379.12372	6.8
397.13470	38.0
397.18546	2.1
398.14139	2.6
415.14606	10.5
522.76642	1.0
562.13544	1.0
579.22992	2.3
597.24237	3.3
605.24628	3.2
623.25513	6.2
641.27197	1.3
857.45691	3.2
883.46808	15.5
884.46729	4.4
901.47821	3.8
919.49097	15.9
920.49341	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	917.512
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	15.4
72.99320	1.2
73.02937	2.1
75.00857	0.8
80.02667	1.0
81.03454	1.7
83.01385	1.6
83.05013	3.9
85.02933	4.0
87.00879	4.5
89.02444	12.6
95.01385	1.5
97.02946	2.3
99.00880	1.3
101.02446	10.5
102.21547	0.6
103.03896	0.7
113.02446	5.9
119.03497	2.5
125.02454	5.2
125.06110	0.6
129.01920	0.8
131.03493	0.6
139.03923	0.8
141.01859	0.7
143.03490	2.6
148.84703	0.7
161.04567	3.9
163.11284	2.9
165.12816	2.2
173.79341	0.7
179.05585	3.6
199.06210	0.7
201.11275	1.1
209.11816	100.0
210.12126	2.5
221.06628	0.7
227.12872	11.2
235.08231	5.2
259.15427	1.3
277.21704	54.4
278.22037	2.8
287.07645	1.4
291.23215	0.7
305.08694	1.5
323.09818	0.8
379.12354	9.7
397.13477	43.2
398.13757	1.5
415.09592	0.9
415.14624	8.0
589.25018	1.5
607.26111	2.2
657.34753	0.9
675.35620	2.8
917.47186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17915	38.4
71.01379	27.0
78.95901	6.6
83.05051	4.3
85.02947	6.8
87.00837	7.8
89.02448	20.6
98.19849	7.8
98.20547	16.6
101.02451	17.2
101.20341	5.1
111.74933	4.3
113.02419	9.2
119.03515	9.4
125.02446	4.8
134.91017	3.8
140.88774	3.6
161.04575	6.5
179.05608	10.9
199.13351	12.6
201.11314	96.2
209.11824	98.1
209.90639	3.9
210.12027	4.0
227.12854	25.7
235.04298	3.8
242.06305	4.3
255.23274	69.7
277.21628	11.9
379.12491	30.6
397.13516	100.0
415.14407	17.2
545.80170	4.9
581.24335	12.9
589.24628	18.8
599.26001	5.0
607.26062	9.1
635.36462	15.3
653.37317	41.5
837.48474	30.6
838.48993	8.4
845.48749	18.1
861.61133	4.8
917.48724	85.0
918.48871	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	917.512
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	15.4
72.99320	1.2
73.02937	2.1
75.00857	0.8
80.02667	1.0
81.03454	1.7
83.01385	1.6
83.05013	3.9
85.02933	4.0
87.00879	4.5
89.02444	12.6
95.01385	1.5
97.02946	2.3
99.00880	1.3
101.02446	10.5
102.21547	0.6
103.03896	0.7
113.02446	5.9
119.03497	2.5
125.02454	5.2
125.06110	0.6
129.01920	0.8
131.03493	0.6
139.03923	0.8
141.01859	0.7
143.03490	2.6
148.84703	0.7
161.04567	3.9
163.11284	2.9
165.12816	2.2
173.79341	0.7
179.05585	3.6
199.06210	0.7
201.11275	1.1
209.11816	100.0
210.12126	2.5
221.06628	0.7
227.12872	11.2
235.08231	5.2
259.15427	1.3
277.21704	54.4
278.22037	2.8
287.07645	1.4
291.23215	0.7
305.08694	1.5
323.09818	0.8
379.12354	9.7
397.13477	43.2
398.13757	1.5
415.09592	0.9
415.14624	8.0
589.25018	1.5
607.26111	2.2
657.34753	0.9
675.35620	2.8
917.47186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00315	0.9
68.99789	1.1
69.03445	1.9
71.01383	19.1
72.99297	3.9
75.00877	1.2
79.05524	1.4
81.03450	1.5
83.01392	0.7
83.05019	2.0
85.02956	6.2
87.00871	2.9
91.01893	2.7
93.03453	4.4
94.30281	0.7
95.01393	1.2
95.05040	3.5
95.46938	0.7
96.99295	1.8
97.02949	2.5
99.00883	54.5
99.04510	1.5
101.02392	1.2
103.00362	1.1
105.07079	0.7
107.05029	2.2
108.02162	1.6
109.02947	2.5
109.06575	1.0
111.00896	0.7
111.04514	7.4
112.59322	0.6
113.02425	2.2
115.05514	1.8
119.05036	1.6
119.08701	0.9
121.02947	7.9
121.06587	3.2
122.03759	0.8
123.00937	0.9
123.04520	8.2
125.02472	3.3
127.04031	1.2
129.01936	3.9
132.02173	3.3
133.02953	2.2
133.06535	1.7
134.03735	13.8
135.04549	3.4
136.59859	0.8
137.02425	1.8
137.06096	1.7
139.04012	1.9
141.05583	0.9
145.02956	2.2
146.03714	0.8
147.04539	10.6
148.01659	0.9
149.02435	0.9
149.06067	7.5
150.03230	1.1
151.03995	2.7
153.05537	1.0
155.08699	2.0
158.03752	2.7
159.04518	5.3
160.01668	14.5
160.05319	0.9
161.02403	1.5
161.06068	2.7
163.03981	1.5
165.05629	3.1
167.03470	3.1
171.08136	1.5
173.06093	2.0
175.03996	16.1
175.07628	1.1
176.04634	1.0
177.05562	2.4
178.02673	1.3
179.07100	0.7
182.07344	1.0
183.08121	1.0
185.09740	0.8
187.04007	1.9
187.11261	2.0
193.05055	15.5
194.05637	1.1
195.08148	0.8
197.11778	0.9
199.07487	0.8
203.07173	1.2
209.06052	0.7
209.11847	2.8
210.06860	98.8
211.06122	4.2
211.07617	1.5
213.09177	1.0
221.05978	0.7
225.09210	100.0
226.09546	5.0
227.12958	0.8
231.10175	0.9
234.06932	1.4
235.07640	16.0
236.08395	6.5
237.09126	3.0
238.09937	4.1
247.07852	1.0
249.09225	1.6
251.10855	1.9
253.12251	1.2
262.06192	0.9
263.07086	6.4
264.07889	13.0
265.08249	0.9
279.10272	7.8
290.05844	1.5
297.11426	2.8
305.08270	2.4
308.06946	2.2
309.20663	1.9
323.09271	8.1
341.10306	14.1
373.16614	1.2
397.13434	1.1
425.16098	1.2
429.15506	3.1
447.16370	1.0
455.17133	2.4
473.18198	6.6
491.19208	1.8
501.17499	1.1
502.56012	0.7
585.21460	1.6
613.21338	1.0
636.60760	0.8
735.24634	2.0
753.25629	19.5
753.39148	1.1
754.25983	2.3
761.26520	1.6
779.27008	7.9
797.27887	4.9
825.27686	50.6
826.27728	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	917.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
68.62982	1.3
70.37856	3.9
71.01006	1.6
71.01383	18.7
72.99307	2.7
75.00874	4.3
79.05559	1.5
81.03411	1.2
85.02946	4.6
95.05044	1.6
96.96004	3.0
99.00883	51.5
99.04494	1.3
101.02440	3.3
103.00374	4.5
107.05000	2.1
109.02906	2.2
111.04518	2.9
113.02402	3.1
121.02982	6.6
121.06599	1.7
123.04537	3.2
125.02393	1.7
129.01964	2.3
134.03773	9.5
145.12367	1.7
147.04494	4.6
148.16289	1.3
149.06094	1.8
151.03951	1.9
153.76559	1.2
159.04514	2.1
160.01613	2.0
161.04613	1.2
161.06049	2.6
165.05446	1.5
167.03435	1.7
171.33237	1.2
172.26775	1.2
173.06009	1.5
175.03975	3.6
177.05583	1.6
185.27313	1.3
185.30283	1.2
193.05038	8.4
194.05798	3.3
197.11786	1.6
209.11807	2.8
210.06862	95.0
211.07399	1.9
225.09210	100.0
226.09492	6.3
227.12894	1.6
235.07697	6.9
236.08302	3.5
237.09224	1.5
238.09787	1.7
264.07907	4.1
279.10156	3.8
281.02646	1.3
289.16418	1.6
291.69394	1.1
297.11441	2.0
307.17648	3.2
309.20630	2.8
323.09180	5.0
341.10254	7.3
349.18732	3.9
437.18033	5.8
473.18167	4.2
479.19363	1.8
735.24481	3.2
753.25781	3.0
756.29065	1.2
797.28174	3.1
825.27698	17.9
826.27673	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	917.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84420	0.8
85.02956	3.1
93.03491	0.6
101.02436	1.5
102.80755	0.4
107.01393	0.8
109.02939	0.3
110.33264	0.3
110.63293	0.3
129.00969	0.5
129.01939	9.3
132.02199	0.3
134.03737	5.1
135.00874	0.4
147.02994	0.6
149.06094	0.6
151.00354	2.2
163.00385	0.8
171.04582	0.4
178.02704	0.4
187.03926	0.5
189.05513	0.3
193.05052	5.1
195.04482	0.4
199.03993	0.3
200.04794	0.3
211.03964	0.8
227.03485	16.4
228.03914	1.0
229.05040	2.6
239.03468	0.9
241.05031	0.5
255.02971	32.3
256.03650	3.1
257.04578	1.9
283.02676	0.5
284.03244	58.4
285.03992	21.9
286.04352	1.0
323.07767	1.4
327.05096	0.9
355.84656	0.3
401.18484	0.3
415.98203	0.3
517.25311	0.3
561.23260	0.4
593.15082	100.0
594.15417	8.2
628.71326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.275
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44704	0.7
79.95713	1.4
95.46661	0.1
96.23649	0.1
96.96005	57.2
97.95951	0.1
98.95609	0.2
112.39863	0.1
123.04568	0.1
133.02951	0.3
151.00278	0.1
155.51605	0.1
255.03011	0.2
271.02444	0.5
298.88321	0.1
300.02768	1.0
301.03421	0.4
305.10635	0.5
306.10959	0.2
307.12173	100.0
308.12506	3.9
563.80884	0.1
609.14471	1.4
610.15057	0.2
723.21527	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	917.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
65.09839	0.5
71.54075	0.7
83.50760	0.5
85.02951	12.7
90.79195	0.4
93.03454	1.1
96.96012	0.6
101.02439	8.9
103.04013	6.3
107.01398	0.8
116.30582	0.4
124.77376	0.5
129.01944	68.3
130.02272	0.9
132.02213	0.4
134.03746	8.7
135.00887	0.6
136.39305	0.5
147.02994	69.4
148.03354	1.2
149.06059	0.5
151.00366	1.5
159.04488	0.5
163.00356	1.3
175.03987	0.7
185.06071	1.2
187.03897	1.1
189.05585	0.6
191.01929	0.7
193.05042	8.9
197.06020	0.4
199.03984	0.6
201.05646	0.6
211.04039	1.0
213.05550	1.3
217.12338	0.8
227.03493	14.5
227.05751	0.7
228.04012	1.0
229.04997	6.5
235.13257	0.5
239.03413	0.9
240.04099	0.6
241.05028	0.8
241.72313	0.4
255.02983	26.0
256.03549	2.6
257.04568	3.6
283.99960	1.0
284.03250	42.2
285.04025	49.8
286.04404	2.1
323.07706	7.7
323.11230	0.8
324.07892	0.6
327.04947	0.8
370.83157	0.4
471.91895	0.4
529.19275	1.6
593.15088	100.0
594.15442	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	913.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
64.68504	0.1
69.50517	0.7
71.01364	0.3
73.02943	0.2
79.95300	0.1
79.95725	3.6
81.79993	0.1
85.02953	0.3
89.02453	0.1
95.95268	0.2
96.96011	63.3
97.95935	0.2
98.95594	0.3
101.02409	0.2
107.32620	0.1
110.93157	0.1
113.02476	0.1
119.05019	0.3
122.97598	0.1
135.04521	0.1
164.04771	0.1
190.56894	0.1
194.32672	0.1
265.46771	0.1
282.25845	0.1
289.11139	100.0
290.08157	0.2
290.11472	4.3
291.10980	0.6
305.10696	0.4
331.47174	0.1
406.34073	0.1
455.13800	0.4
456.14078	0.1
457.13672	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	915.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.5
71.01379	1.0
71.54175	0.2
73.02944	0.5
83.01363	0.4
85.02940	0.9
89.02439	0.3
92.10026	0.2
95.01348	0.2
101.02438	0.7
103.03999	0.5
107.01387	1.2
108.02160	0.4
109.02950	0.5
113.02450	0.6
118.98012	0.2
119.03481	0.4
121.02950	0.6
125.02451	0.5
129.01921	0.4
134.40182	0.2
135.00891	0.5
149.02405	0.2
151.00357	4.4
152.00749	0.3
153.01933	0.6
161.04546	0.2
163.00356	1.2
163.81358	0.2
166.02748	0.4
167.03412	0.4
175.03891	0.3
178.99826	3.0
181.04979	0.6
190.02689	0.4
193.01355	0.3
199.03876	0.2
209.11809	0.4
211.04018	0.4
216.04240	0.4
225.14757	0.2
226.02713	2.7
226.15240	0.2
227.03450	1.5
228.04225	0.3
243.02986	8.0
244.03410	0.8
254.02177	3.2
255.02962	6.0
256.03195	0.7
257.03375	0.3
265.09216	0.2
269.13895	1.2
270.14194	0.6
271.02460	39.8
272.02914	3.1
273.03317	0.8
299.01996	0.3
300.02734	50.4
301.03403	15.6
302.03601	2.4
303.04047	0.3
307.10541	0.3
335.12460	0.4
343.04590	0.5
407.19113	0.9
417.15598	0.4
419.16058	0.6
449.20163	2.9
450.20642	3.1
451.21127	2.5
463.08798	100.0
464.09143	8.8
465.09381	4.2
478.17365	0.3
489.04514	0.2
517.18494	0.3
662.46173	0.2
717.34979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
80.39787	26.7
96.96013	46.3
98.19954	86.1
98.20635	100.0
137.96213	30.2
393.91794	33.1
861.41870	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	913.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	1.0
69.24924	2.9
71.01386	4.0
83.01389	1.2
85.02953	1.7
89.02445	3.2
92.10038	0.3
99.04529	1.6
101.02454	2.8
103.04017	1.2
107.01412	1.7
108.02138	0.4
109.02979	0.9
109.06545	0.3
113.02457	1.4
119.03501	1.2
121.02988	0.8
135.00900	0.8
136.37473	0.3
148.01695	0.4
149.39633	0.3
151.00366	8.5
163.00294	1.6
164.01089	0.6
165.12817	0.9
166.02757	0.8
178.99887	3.5
181.05057	0.9
183.04552	0.4
190.99872	0.4
193.01451	0.4
207.13863	4.0
209.11810	8.1
211.03961	0.9
215.03505	0.4
225.15007	3.4
226.02719	0.5
227.03511	1.5
229.05057	0.5
243.02979	5.0
245.04378	0.8
251.12929	1.9
254.02200	1.4
255.02969	15.8
256.03278	0.6
265.09262	0.7
269.13928	17.4
270.14160	0.7
271.02469	33.8
272.02917	2.6
273.03833	0.5
283.02487	0.8
299.01929	0.6
300.02740	72.3
301.03473	34.7
302.03674	1.3
307.10349	1.2
414.41638	0.3
417.15604	2.1
449.20255	76.1
450.20651	3.9
463.08804	100.0
464.09103	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	911.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	1.6
71.01382	53.6
71.54970	2.1
72.99310	3.2
73.02558	2.3
73.02945	35.6
74.28809	1.6
82.27902	1.5
83.01390	17.8
85.02959	18.6
86.00091	2.1
87.00877	5.2
87.04466	1.7
89.02439	13.7
95.01386	5.6
96.96010	5.6
97.02892	1.5
99.00858	4.1
101.02441	40.4
101.06117	2.2
110.19086	1.4
113.02447	25.5
119.03507	7.0
123.08152	1.5
125.02452	3.7
131.03465	3.7
137.87459	1.5
143.03482	6.9
149.04529	3.5
151.00311	3.0
161.04593	11.7
161.05827	2.8
179.05576	3.4
209.11897	3.9
221.06741	1.8
225.11217	2.6
232.10320	1.7
249.74680	1.7
301.03445	7.6
357.24310	3.3
387.25046	3.0
501.32864	1.9
505.33997	3.2
549.30774	23.5
605.33148	11.0
615.35327	5.7
645.36206	4.6
663.37506	47.8
664.37427	3.9
705.38525	8.2
749.37030	3.6
759.39850	2.1
807.41724	100.0
808.41730	11.8
809.39832	4.4
825.43115	11.2
826.43103	3.1
867.43866	52.9
868.44031	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	906.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05115	1.9
67.88003	2.0
71.01369	7.6
71.93978	1.9
96.96020	3.0
99.00883	20.9
133.01515	2.5
209.11922	2.5
211.07620	100.0
211.09631	5.0
212.07950	4.6
234.21202	2.1
241.89415	2.0
253.09171	2.1
259.92917	2.0
550.54260	2.3
783.27057	4.5
811.25708	6.7
942.43585	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	906.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
66.85788	0.6
71.01383	4.2
71.44820	0.9
72.08203	0.5
75.00871	1.2
84.41597	0.5
85.02946	0.5
88.98813	1.0
94.14799	0.5
99.00266	1.1
99.00880	15.2
99.40533	0.5
101.02481	0.6
105.03451	1.1
107.05048	0.6
109.03017	0.6
111.04543	1.0
116.92873	0.8
121.02966	1.2
126.90375	0.7
132.02194	1.6
133.01476	0.8
133.02965	33.2
134.03752	6.5
135.04532	37.2
136.04869	0.7
137.02405	3.9
139.04015	1.2
147.04480	3.9
150.03168	0.8
150.04207	1.7
161.02441	100.0
162.02798	2.3
178.02696	2.7
179.03506	25.8
180.03862	0.7
193.05048	0.6
194.05965	0.6
201.60170	0.5
210.09138	0.5
211.13443	0.8
240.78506	0.6
291.06616	1.6
441.15549	0.7
490.14688	0.8
494.01392	0.6
635.21179	6.1
653.22540	10.5
654.23145	0.9
670.36169	0.7
681.21869	0.8
743.27136	16.7
744.27289	2.8
765.25531	0.8
783.26563	16.5
784.26923	2.5
811.25946	19.2
812.26440	2.2
843.28638	11.3
844.29272	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	906.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
66.85788	0.6
71.01383	4.2
71.44820	0.9
72.08203	0.5
75.00871	1.2
84.41597	0.5
85.02946	0.5
88.98813	1.0
94.14799	0.5
99.00266	1.1
99.00880	15.2
99.40533	0.5
101.02481	0.6
105.03451	1.1
107.05048	0.6
109.03017	0.6
111.04543	1.0
116.92873	0.8
121.02966	1.2
126.90375	0.7
132.02194	1.6
133.01476	0.8
133.02965	33.2
134.03752	6.5
135.04532	37.2
136.04869	0.7
137.02405	3.9
139.04015	1.2
147.04480	3.9
150.03168	0.8
150.04207	1.7
161.02441	100.0
162.02798	2.3
178.02696	2.7
179.03506	25.8
180.03862	0.7
193.05048	0.6
194.05965	0.6
201.60170	0.5
210.09138	0.5
211.13443	0.8
240.78506	0.6
291.06616	1.6
441.15549	0.7
490.14688	0.8
494.01392	0.6
635.21179	6.1
653.22540	10.5
654.23145	0.9
670.36169	0.7
681.21869	0.8
743.27136	16.7
744.27289	2.8
765.25531	0.8
783.26563	16.5
784.26923	2.5
811.25946	19.2
812.26440	2.2
843.28638	11.3
844.29272	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	903.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.6
70.26490	1.2
71.01385	22.8
72.99296	2.1
73.02950	3.5
75.00877	0.5
80.02682	1.2
81.03483	2.0
83.01399	2.5
83.05029	4.4
84.02185	0.6
85.02944	4.7
87.00885	6.7
89.02444	18.9
91.04020	0.5
93.03403	0.6
95.01398	1.8
95.05024	0.8
97.02961	4.2
97.06602	0.5
99.00871	2.0
99.04517	0.5
101.02442	17.1
101.03114	0.9
109.02939	0.6
109.06594	0.7
111.04546	0.8
113.02454	9.8
115.03981	0.6
119.03512	4.9
125.02458	6.8
125.09750	2.8
127.11321	3.5
131.03490	1.1
133.05119	0.7
135.08142	0.5
137.09680	0.4
139.03943	0.5
141.02000	0.6
143.03522	3.3
147.11655	0.4
155.10808	1.6
161.04552	3.7
162.05020	0.4
163.11276	3.2
165.09225	1.5
165.12860	2.8
171.10249	2.7
172.10617	0.6
179.05571	3.8
181.12367	0.8
183.10248	0.7
191.10768	0.9
199.05934	0.5
199.09715	1.3
201.11322	74.5
202.11665	2.4
207.10378	0.6
209.11824	100.0
210.12164	3.6
217.07100	1.5
221.06619	1.7
225.11287	1.3
226.11693	0.9
227.12891	11.9
228.13309	0.5
235.08249	6.4
243.12230	0.4
245.06723	0.6
253.09303	1.6
277.21716	74.5
278.22101	5.0
287.07715	1.7
305.08740	1.8
323.09894	1.9
379.12442	11.7
397.13492	59.0
398.13980	3.3
399.14035	0.5
415.14557	13.5
416.14883	0.7
443.31641	0.7
461.32437	1.0
529.07037	0.5
581.24542	2.8
582.24097	0.5
589.25140	1.3
590.24847	0.5
599.25848	3.0
607.26239	1.6
657.34406	1.1
675.35980	6.3
676.36383	0.8
859.47705	1.0
903.49469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.7
69.40627	1.2
69.41049	0.8
71.01382	0.5
72.07279	0.2
81.84590	0.2
83.01386	0.4
85.02995	0.4
88.68888	0.3
96.14662	0.2
96.66177	0.3
98.20605	0.5
101.02438	0.4
107.01404	1.4
108.02165	0.6
109.02927	0.7
121.02941	0.7
133.02983	0.3
135.00900	0.5
148.01654	0.7
151.00348	6.4
163.00397	1.3
163.04048	0.3
163.13602	0.3
164.01096	0.4
178.99858	3.5
180.00272	0.3
190.02693	0.3
199.04094	0.4
201.05562	0.3
211.03979	0.3
215.03464	0.3
226.02690	0.7
227.03477	1.1
229.05043	0.4
243.02950	4.6
245.04596	0.4
246.26990	0.3
254.02119	1.0
255.02979	14.2
256.03433	0.7
271.02460	30.2
272.03000	1.9
273.03992	0.3
299.02017	0.6
300.02731	62.1
301.03464	20.0
302.03802	1.1
587.37775	0.3
609.14581	100.0
610.14893	8.9
739.32336	0.3
797.03851	0.4
815.49982	0.3
848.25995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.48
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	1.8
69.40011	5.1
71.01379	18.7
71.05002	1.5
72.99309	1.9
73.02938	3.5
75.00883	0.6
80.96516	1.5
81.03413	0.8
83.01375	1.8
83.05029	1.0
85.02962	4.4
86.32848	0.6
87.00874	4.2
89.02444	11.4
95.01376	1.3
95.05003	1.1
96.95982	1.3
97.02944	5.6
97.06569	1.8
99.00874	10.2
101.02449	10.4
109.06567	1.9
113.02457	6.3
119.03490	2.4
120.09270	0.6
123.08171	1.7
125.02452	3.0
125.09712	5.7
142.02689	1.4
143.03519	1.3
150.09485	0.6
155.10780	0.9
161.04524	2.0
163.11270	6.5
171.10263	12.3
179.05562	1.8
181.12352	8.5
183.13826	0.7
197.11761	2.5
199.09703	2.5
199.13391	9.2
201.11320	4.1
207.10245	26.1
208.10571	1.1
209.11711	0.7
215.12843	1.0
221.06622	2.3
225.11311	35.4
226.11551	1.1
235.08154	2.4
243.12344	9.0
244.12531	0.6
277.21701	43.9
277.54788	0.6
278.22064	2.4
297.75983	0.6
305.08640	0.9
379.12323	2.9
397.13458	12.6
398.13849	0.9
415.14447	3.7
597.23383	0.9
597.39758	0.7
605.24445	2.6
623.25177	3.8
636.37170	0.7
857.45355	1.8
883.46979	14.1
884.47314	2.6
896.50415	0.8
901.47906	100.0
902.48328	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
68.48678	0.3
71.01379	1.1
71.52428	0.3
71.52840	0.4
84.84350	0.3
87.00879	2.9
88.00403	5.8
88.01215	0.5
88.98806	100.0
89.02444	18.7
89.99161	0.8
111.51698	0.3
143.04504	0.4
147.04509	4.9
149.06079	0.3
177.03387	0.5
197.11842	0.3
209.11794	0.4
211.13365	1.6
291.19733	0.4
309.20663	1.3
397.13522	0.8
415.14624	0.4
497.53214	0.3
585.20490	0.4
815.00439	0.4
913.12054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	4.0
71.01382	63.4
72.99324	3.5
73.02952	7.8
75.00894	2.4
76.36893	2.2
78.95897	2.3
80.96509	7.1
81.03458	4.6
83.01387	6.4
85.02953	9.4
85.40732	2.6
87.00890	11.4
89.02444	34.0
95.05043	2.3
96.96009	8.4
97.02959	9.8
97.06542	2.5
97.81297	2.2
99.00876	6.4
101.02443	31.3
109.06578	8.2
113.02464	18.4
119.03503	5.9
125.02442	11.6
125.09729	7.7
127.11308	2.3
143.03534	5.3
152.99551	2.6
155.10765	3.4
161.04517	6.0
163.11284	9.6
171.10263	81.0
179.05602	6.8
181.12393	6.0
197.11795	10.8
198.12137	3.0
199.09735	14.2
199.13539	2.4
201.11320	6.9
207.10236	38.9
209.11710	4.2
221.06639	3.0
225.11292	57.1
235.08217	6.9
243.12369	14.3
277.21722	100.0
278.22049	9.5
322.79739	2.5
357.99091	2.8
379.12457	18.1
397.13477	56.4
398.13660	4.4
415.14502	16.4
427.87546	2.6
551.23358	4.6
569.24774	4.4
579.22736	2.9
597.23889	3.4
605.24249	4.3
623.25519	9.0
624.25867	2.6
657.34491	7.1
675.36145	6.0
693.52313	2.9
857.44806	15.0
883.46838	27.4
901.47253	74.7
902.47650	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
65.86587	0.4
67.01866	0.5
68.99787	0.6
69.03460	4.1
69.15482	4.9
71.01385	14.1
71.05025	1.3
72.99310	1.4
73.02948	1.8
75.00860	0.6
80.96511	0.5
81.03460	0.7
83.01376	1.8
83.05030	0.7
85.02944	3.8
87.00874	2.9
89.02448	9.5
95.01382	0.8
97.02945	2.7
97.06572	1.3
98.20445	2.2
99.00873	0.8
101.02441	9.0
113.02444	4.5
115.00389	0.8
119.03503	1.7
121.07635	0.5
123.08179	0.9
125.02445	1.8
125.09703	2.1
143.03496	1.3
151.07677	0.6
151.11279	2.3
153.12865	0.7
161.04611	1.1
161.09691	3.0
169.12308	1.7
171.10144	0.6
175.02464	1.5
179.10802	5.1
197.11823	33.9
198.12186	1.3
209.11830	0.7
211.13354	0.9
221.06621	1.2
223.09746	0.9
235.08231	0.9
241.10788	2.1
241.14555	0.7
253.09198	0.6
259.20477	0.5
277.21707	36.2
278.22052	2.1
316.97037	0.5
325.09793	0.5
358.76746	0.5
397.13553	2.4
415.14481	0.7
685.58185	0.6
781.43573	1.8
881.43872	0.7
899.46423	100.0
900.46906	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	899.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	3.5
71.01380	15.0
71.05014	1.5
71.52682	0.4
72.99298	1.5
73.02941	2.5
75.00867	0.6
81.03451	0.8
83.01382	1.8
83.05025	0.6
85.02961	3.4
87.00863	3.3
89.02445	9.1
95.01385	0.9
97.02944	2.2
97.06580	0.4
99.00873	0.8
101.02442	8.9
101.03107	0.5
109.02958	0.5
111.00887	0.5
111.04531	0.5
113.02460	4.4
115.00344	0.4
119.03486	2.1
121.85686	0.3
123.08147	0.9
123.35308	0.4
125.02450	2.5
125.09705	1.6
127.04025	0.4
130.98717	0.4
131.03535	0.5
143.03522	1.1
149.09731	0.3
151.11290	2.1
153.12839	1.4
161.04581	1.1
161.09770	1.8
169.12329	3.4
171.10284	0.7
175.02454	0.6
179.05608	0.9
179.10759	4.2
197.11827	57.0
198.12112	1.8
205.08722	0.5
209.11813	0.8
211.13385	1.1
221.06650	2.1
223.09775	1.4
235.08240	1.0
241.10815	3.7
241.14418	0.5
242.22539	0.3
253.09323	0.4
277.21719	25.2
278.22046	1.4
310.21146	0.7
397.13522	3.2
415.14505	0.8
621.24066	0.6
639.24927	0.8
881.45959	0.8
899.46448	100.0
900.46674	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	899.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92882	0.4
71.01009	0.7
71.01380	8.6
72.99312	0.7
73.02945	1.1
74.26795	0.4
80.02679	1.1
81.03444	1.2
83.01369	1.1
83.05020	5.1
84.02161	0.9
85.02939	2.6
87.00864	1.6
88.98825	0.4
89.02444	6.4
95.01376	0.6
95.05038	1.0
96.95995	0.8
97.02948	0.7
98.20738	0.7
99.00892	0.5
101.02443	6.2
109.06605	0.5
111.00889	0.4
111.08119	0.4
113.02464	3.3
119.03481	2.0
121.02963	0.4
125.02469	2.2
125.06092	0.5
135.08133	0.9
139.04042	0.5
143.03497	0.6
161.04546	1.3
162.20520	0.3
163.11285	4.3
163.33923	0.4
165.12863	2.4
179.05560	2.0
181.12350	0.9
191.10735	1.2
207.10248	0.4
209.11818	100.0
210.12112	3.7
217.07253	0.4
225.11337	0.6
227.12889	15.5
235.08205	1.7
251.12842	0.7
253.09238	0.7
287.07733	0.7
305.08719	1.3
307.85767	0.4
323.09628	0.6
379.12439	5.4
397.13507	21.5
398.13943	1.2
415.14532	4.5
433.16382	0.4
589.24915	3.1
590.25500	0.5
607.25854	5.6
639.08820	0.4
709.41931	0.4
799.37799	1.2
899.40411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92014	0.6
71.01379	6.9
71.34557	0.7
75.00882	0.9
76.76717	0.6
79.95725	3.7
85.02937	6.2
89.02448	4.3
94.02971	4.7
96.04545	0.7
96.96007	73.7
97.95923	0.7
98.19760	1.0
101.02437	3.6
106.06635	1.9
113.02446	1.9
119.03499	1.0
121.02919	1.0
122.06123	0.9
124.04041	5.9
129.01955	0.9
134.06116	8.1
136.03992	0.7
138.05681	0.9
147.03049	0.8
148.04057	0.9
148.07719	0.7
150.05618	0.7
152.07138	2.2
164.07124	0.8
176.07047	0.8
178.05096	1.3
186.68356	0.6
191.01924	1.7
207.16370	0.8
209.11906	0.8
210.07732	1.1
211.69940	0.7
225.10321	1.2
239.11887	0.9
249.10451	1.0
251.08243	1.1
259.10925	1.1
262.51907	0.6
264.09012	0.9
265.09665	3.7
267.11392	0.9
277.09769	1.4
278.10666	0.7
279.11371	1.5
289.11139	100.0
290.11383	5.3
291.11209	0.7
293.09323	1.7
297.12302	0.7
300.02600	0.7
303.09985	1.1
305.09326	0.8
308.07993	0.9
309.08850	2.0
323.10342	2.7
324.11029	1.2
325.11899	1.8
334.11633	1.1
335.13678	1.0
337.12228	1.3
349.14200	0.9
369.10803	1.0
430.13596	0.7
486.20123	0.8
696.24615	2.2
710.26013	1.8
742.27777	4.2
775.28949	1.6
807.31134	7.2
817.29156	1.1
835.30603	16.8
836.31012	1.9
839.33032	3.4
849.31622	3.2
855.29340	0.9
867.32996	33.0
868.33411	4.5
881.34839	3.4
899.35889	10.8
900.36401	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	899.298
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.5
71.01383	100.0
72.99308	24.0
73.02946	8.4
75.00871	5.6
78.01195	0.8
79.05508	1.1
81.03470	1.7
83.05022	2.3
85.02950	3.5
87.00875	6.8
89.02456	4.5
93.03468	2.1
95.01394	1.1
95.05016	2.3
96.96016	2.5
96.99287	1.0
97.02953	3.2
98.20715	1.5
99.00885	31.1
99.04555	1.3
101.02454	2.4
103.00380	3.5
103.05563	1.0
107.05006	1.6
109.02985	2.3
111.04517	4.5
113.02463	1.5
115.00374	43.9
119.03507	82.9
120.03875	1.1
121.02968	7.5
121.06566	2.6
123.04553	5.0
125.02430	2.7
127.03999	2.0
133.01431	18.1
133.06577	1.3
135.04576	1.6
137.02414	1.7
137.06152	1.5
139.03984	2.2
147.04530	71.6
148.04878	2.6
148.32637	0.9
149.06076	4.2
150.03232	1.3
151.03963	2.8
159.08015	0.9
161.06058	1.9
161.09702	1.2
164.01457	0.8
165.05557	2.2
167.03542	1.2
175.03998	1.3
175.07579	1.6
177.05679	1.0
179.07118	1.5
181.05128	1.1
187.07668	1.8
187.11259	3.6
193.05084	6.3
194.05817	3.3
199.07721	1.6
201.05566	2.8
203.07207	1.8
205.08578	1.3
211.06082	1.6
217.03529	3.3
219.06488	1.4
223.06100	1.4
231.10283	1.4
279.12408	1.5
329.41483	0.9
388.08139	1.1
401.08786	3.5
447.16782	2.4
455.17343	1.1
473.18182	4.5
491.19232	68.1
492.19495	5.1
519.18787	1.2
522.45581	1.4
621.22296	3.7
751.26111	32.6
752.26801	5.2
899.29657	15.1
900.29669	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99816	0.7
69.03456	1.8
70.62070	0.6
71.01381	100.0
72.01734	1.1
72.98891	1.3
72.99306	24.8
73.02943	8.1
73.06355	0.6
75.00877	4.8
79.05515	1.1
81.03455	1.2
83.01376	0.8
83.05033	2.4
85.02937	4.3
87.00888	6.3
89.02449	5.0
93.03458	3.2
95.05009	3.4
96.96024	4.3
96.99283	0.8
97.02950	3.2
98.20654	1.9
99.00883	28.5
99.04530	1.6
101.02444	2.9
101.75510	0.8
103.00344	3.3
103.05543	0.7
107.05039	1.8
109.02961	3.1
109.06622	0.7
111.04517	5.5
113.02467	1.7
115.00372	40.6
119.03500	78.6
120.03825	1.1
121.02953	6.5
121.06571	4.0
123.04521	4.3
125.02428	2.9
127.03993	1.9
131.05037	0.8
133.01424	18.7
133.06621	2.0
134.03749	0.9
135.04533	1.6
137.02483	1.4
137.06026	1.4
139.03981	2.7
147.04520	60.7
148.04897	1.9
149.06091	4.3
150.03197	0.7
151.03993	2.7
157.06552	0.9
159.04608	0.8
159.08076	1.1
161.06097	1.6
161.09636	0.8
163.07643	0.7
165.05591	2.3
167.03511	1.9
169.10231	0.7
171.03093	1.3
171.08102	0.9
175.03970	1.3
175.07668	1.5
176.04739	1.1
177.05559	1.4
177.09256	1.0
179.07118	0.8
187.07700	0.9
187.11253	5.3
191.07150	0.7
193.05052	5.7
194.05821	2.1
201.05624	2.5
203.07115	1.1
204.06102	0.7
205.08701	1.4
209.11870	1.1
211.06111	1.7
217.03517	2.3
219.06677	1.8
229.08997	0.7
231.10255	2.0
235.04518	1.5
249.07628	1.2
253.12352	0.6
279.12436	1.2
353.16260	0.6
401.15683	0.6
447.16760	1.8
455.17136	1.5
473.18039	4.5
491.19196	59.2
492.19586	4.7
589.50159	0.6
593.21930	1.0
603.21332	0.7
621.22052	4.1
723.26904	0.9
737.23236	0.7
751.25983	26.8
752.26343	3.9
781.28113	0.7
783.29095	1.2
849.26154	1.0
881.28461	1.5
899.29443	11.5
900.30719	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	899.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
66.12810	2.2
68.99560	3.8
71.01381	100.0
71.43181	2.3
71.53576	2.8
72.99300	26.9
73.02942	11.5
74.02428	2.7
78.95917	3.7
81.03452	2.9
82.31036	2.7
83.05022	2.7
85.02952	11.1
87.00854	8.8
89.00662	20.6
89.02428	4.1
93.03494	3.0
95.05031	2.8
96.96004	28.6
97.02921	3.7
99.00854	18.1
99.04504	6.3
99.92629	2.9
101.02438	8.0
109.02907	3.7
111.04515	5.6
115.00377	36.4
115.10384	2.6
116.92843	9.7
117.49377	2.8
119.03499	67.8
121.02930	5.1
121.06609	5.9
123.04544	4.1
125.02421	5.2
127.03985	3.4
133.01419	18.2
135.04616	3.8
139.04031	3.1
147.03358	5.2
147.04521	77.9
149.06119	4.7
151.03979	2.8
165.05466	3.9
171.10284	2.5
187.11284	2.8
193.05074	6.5
201.05579	3.6
204.03343	3.9
209.11739	4.3
211.06073	3.5
211.13434	4.4
214.19882	2.4
217.03595	2.9
218.74692	2.5
226.16571	2.3
298.32480	2.5
473.18607	3.5
491.19159	73.9
492.19336	5.9
621.22040	27.0
622.22174	4.7
751.26044	67.9
752.26404	8.5
839.40106	7.6
899.28473	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	899.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
66.01274	0.3
67.01883	0.9
68.85963	0.3
68.99844	0.6
69.19442	1.1
69.19860	2.0
71.01384	6.3
72.99321	1.2
73.02943	1.5
75.00882	1.4
81.71014	0.3
83.01387	7.8
84.02157	1.9
85.02951	65.7
86.03268	0.6
87.00871	1.4
88.01686	0.5
88.65865	0.3
90.93649	0.3
99.00894	0.7
101.02446	6.3
103.00362	0.5
103.04002	0.5
107.05041	0.7
111.00884	28.9
112.01216	0.4
117.03414	0.4
125.02467	0.6
129.01944	34.9
130.02269	0.4
134.03743	6.5
143.03485	0.8
143.14545	0.3
147.02992	2.3
149.06064	0.8
150.75262	0.3
151.03983	0.8
160.01653	0.5
161.02411	0.6
161.04561	3.4
173.00917	0.4
175.02533	0.4
175.03943	0.6
178.02670	0.4
179.05624	0.4
187.02483	2.5
193.05048	3.3
205.03523	46.9
206.03886	0.9
223.04582	100.0
224.04909	2.7
247.42461	0.3
322.50433	0.3
337.05612	0.8
341.03622	0.3
354.88031	0.3
355.10190	0.6
381.08038	0.3
386.38956	0.4
399.09305	29.6
400.09476	2.0
499.11066	1.6
559.01697	0.3
598.59076	0.3
601.89966	0.4
735.14502	0.3
783.26465	0.3
899.27203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89487	0.3
67.01873	0.7
68.99810	0.8
71.01383	6.3
72.99306	1.0
73.02950	1.3
75.00879	2.2
83.01388	7.5
84.02177	2.0
85.02951	62.8
86.03279	0.8
87.00869	1.5
88.01656	0.3
89.02446	0.3
99.00891	0.5
99.04530	0.7
101.02442	6.4
103.00333	0.3
103.03990	0.8
107.05022	0.4
111.00883	29.3
112.01226	0.3
113.02428	0.3
115.00399	0.3
117.03413	0.4
119.03497	0.3
119.04993	0.3
125.02428	0.6
129.01945	30.9
130.02217	0.4
130.21008	0.3
133.05128	0.3
134.03743	6.5
140.26360	0.2
143.03500	0.6
143.50891	0.3
147.02986	2.7
149.06076	0.7
151.03987	0.7
159.03059	0.3
160.01662	0.4
161.02481	0.4
161.04559	3.2
161.95944	0.3
173.00902	0.5
175.02484	0.2
175.04013	0.2
177.01923	0.3
178.02687	0.4
187.02486	3.1
191.01976	0.5
192.43127	0.3
193.05045	3.8
205.03520	44.6
206.03851	1.1
223.04584	100.0
224.04933	1.7
229.05527	0.4
244.06284	0.3
337.05612	0.5
355.10199	0.5
367.06708	0.4
381.08536	0.5
399.09302	30.7
400.09451	1.4
499.10950	1.5
500.11124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	1.8
71.01384	100.0
72.99321	2.7
73.02950	4.7
76.56081	1.5
80.96527	1.7
81.03414	1.9
83.01384	3.4
85.02946	6.2
87.00858	7.6
88.43890	1.4
89.02448	17.0
97.02934	4.5
99.00861	4.0
101.02451	18.2
109.06577	5.1
113.02451	10.2
119.03488	4.8
125.02433	6.8
125.09779	2.1
127.11263	1.8
137.09637	2.0
141.01695	16.0
143.03409	2.4
155.42096	1.5
161.04524	4.7
161.42226	1.4
163.11261	5.4
171.10275	45.7
179.05569	4.4
185.11606	1.5
199.09738	12.0
199.13324	2.3
201.11322	14.4
202.72011	1.5
207.10255	24.4
209.11787	4.4
211.64171	1.4
221.06436	1.8
225.11365	12.8
228.05278	1.5
235.08234	7.7
238.88910	1.6
243.12407	2.3
255.23285	76.9
256.23560	3.5
277.21695	4.2
279.47830	1.4
287.07574	2.1
305.08759	2.7
323.09628	1.8
379.12521	7.4
397.13467	45.4
398.13995	3.4
415.14496	10.2
504.46744	1.5
527.26074	1.8
623.25427	2.8
653.37628	2.9
685.32361	1.7
835.46704	5.0
861.48737	10.5
862.48706	4.5
879.49493	3.8
897.50757	11.7
898.47565	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	897.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03443	1.6
71.01382	100.0
72.99300	1.9
73.02945	4.5
75.00901	1.0
81.03453	1.6
83.01378	2.2
83.05019	1.3
85.02952	5.1
87.00862	5.1
89.02444	16.4
95.01401	1.0
97.02959	4.3
98.19825	1.3
99.00879	2.3
101.02441	16.2
109.06584	5.8
113.02457	7.4
115.05134	0.8
119.03510	5.3
125.02438	6.8
125.09697	1.8
127.11280	1.6
132.84276	0.9
139.04041	1.0
143.03514	3.5
152.17578	1.0
153.09183	1.2
161.04544	3.5
163.11290	3.0
167.03435	1.0
171.10271	52.1
172.10603	2.0
174.69170	0.8
178.43808	1.1
179.05617	4.1
181.12350	1.6
199.09743	10.3
199.13332	1.2
201.11313	9.1
207.10266	17.0
217.07066	0.9
221.06712	2.0
221.11780	1.5
225.11290	8.2
228.82417	0.9
229.07492	1.1
235.08231	6.1
239.12889	1.2
243.12335	1.0
255.23294	61.3
256.23615	3.5
269.24594	1.2
277.21844	2.0
287.07742	1.9
291.35733	0.8
305.08578	1.7
323.09912	1.3
334.61295	0.8
379.12521	7.3
397.13501	42.7
398.13647	2.6
415.14569	8.9
579.22662	1.2
591.50079	0.8
623.25470	1.2
653.37915	1.2
835.47229	3.2
836.46973	1.1
861.48071	8.1
862.49200	2.0
879.49066	2.1
897.50378	10.1
898.49139	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	1.4
71.01383	100.0
71.53490	1.8
72.99297	2.9
73.02940	4.2
75.00872	1.6
76.04472	1.0
81.03466	2.1
83.01373	2.2
85.02935	5.7
87.00880	7.0
89.02441	17.8
95.01424	2.1
97.02962	5.3
99.00919	2.2
101.02441	18.1
109.06585	4.9
110.06715	1.0
113.02471	9.2
119.03543	5.2
125.02457	6.7
125.09727	2.8
127.11300	2.5
131.03456	1.1
141.01913	1.2
143.03494	3.4
154.21208	1.1
155.10754	1.8
160.82703	1.0
161.04561	4.5
163.11279	3.4
167.03415	1.2
171.10274	52.6
172.10495	1.1
178.00540	1.0
179.05586	4.6
181.12296	2.0
188.15298	1.0
199.09746	13.2
199.13339	1.4
201.11299	12.3
207.10239	23.2
208.10410	1.4
217.07201	1.2
221.11848	1.8
221.79062	1.3
225.11299	12.0
235.08235	7.1
239.12892	1.2
243.12238	2.0
255.23288	79.5
256.23639	3.2
277.21719	2.0
287.07697	1.7
305.08774	1.7
311.16962	2.4
329.91507	0.9
379.12418	7.1
397.13489	47.7
398.13901	2.2
415.14594	11.7
605.24652	2.3
633.53107	1.2
653.37994	1.6
835.47162	3.1
861.48724	12.7
862.49426	4.5
879.50220	3.0
897.50671	11.7
898.50940	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	897.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
67.63754	0.3
83.05049	1.4
93.03512	0.4
95.05042	0.5
98.20622	0.6
101.02443	1.2
109.06612	0.3
111.08182	0.6
113.06081	0.4
113.09808	0.3
116.92848	0.4
121.02956	49.3
122.03298	1.3
128.13266	0.3
167.10748	0.3
179.14398	0.6
181.12450	0.3
195.13881	6.4
196.14587	0.4
205.12398	0.5
211.13429	0.7
212.08397	0.7
216.23404	0.3
221.15308	0.5
223.13388	5.3
227.10771	6.4
228.11266	0.4
228.13654	0.5
231.21318	0.4
256.13187	1.2
265.21759	0.5
275.20145	3.8
293.21216	100.0
294.21542	6.2
309.20673	0.4
358.13742	0.3
377.17319	0.4
395.18420	0.9
407.72092	0.3
409.20184	0.8
425.90341	0.3
437.19614	1.8
463.21246	0.4
467.91953	0.4
531.80389	0.3
559.23462	5.4
560.23883	0.7
585.24615	0.8
603.25714	0.9
626.89838	0.3
651.93658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01922	0.1
67.23615	0.1
69.03457	2.4
70.56737	0.1
71.01076	0.2
71.01374	0.7
71.05061	0.4
71.53661	0.2
80.02716	0.4
81.03492	0.6
83.05023	1.0
84.02197	0.2
85.02979	0.2
93.03511	0.3
95.01402	0.3
95.05057	0.5
97.02946	11.8
97.06590	1.1
98.03807	0.2
99.00883	0.3
106.04249	0.1
107.05060	0.5
109.06619	0.6
111.08174	0.9
119.05048	0.2
119.08678	1.1
121.10269	0.5
123.04549	0.4
123.08165	0.7
125.02541	0.1
125.06105	0.5
125.09723	2.3
127.07680	0.2
127.11318	0.5
135.08122	0.3
137.09714	2.2
139.11281	0.2
141.09283	0.2
141.12898	0.3
148.08920	0.2
149.09741	0.2
150.10548	0.2
151.07663	0.3
151.11319	0.4
152.08415	0.3
153.09201	0.2
153.12895	0.5
161.09787	0.4
162.10561	0.3
163.11290	3.0
163.12572	0.2
165.09207	0.5
165.12834	6.8
166.10030	0.6
166.13167	0.2
167.10796	0.4
167.14442	0.3
171.10252	7.1
172.10699	0.2
175.11284	0.4
177.12831	0.3
179.14398	1.0
181.12328	1.7
183.13918	1.2
185.11853	0.6
189.12843	0.2
191.10670	0.2
191.14435	0.5
193.12343	1.7
193.14093	0.2
193.14388	0.2
193.15941	1.2
195.13913	0.4
197.11787	0.4
197.15569	0.2
207.10281	0.8
209.11838	3.3
209.15353	1.0
211.13391	1.4
212.13721	0.2
217.16005	0.4
219.17532	0.3
221.11852	0.4
223.13408	1.3
223.16940	0.2
225.11348	0.6
227.12892	3.3
229.19432	0.2
239.12827	0.5
245.19092	0.3
247.20657	5.4
248.20995	0.3
263.20078	0.3
273.18597	2.4
281.64001	0.2
291.19638	52.2
292.19968	2.9
309.20676	100.0
310.17465	0.3
310.21057	5.6
449.45221	0.1
576.86017	0.2
623.24304	0.2
662.02234	0.2
817.38165	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	2.2
71.01380	100.0
72.99293	2.4
73.02937	4.9
79.28717	1.4
81.03464	3.0
83.01383	3.3
83.05050	2.4
85.02950	6.3
87.00880	6.3
89.02457	16.6
95.01353	2.7
96.96106	1.5
97.02935	8.6
97.06601	1.5
99.00880	5.3
99.04549	2.4
101.02454	16.1
109.06590	16.5
110.03728	1.6
113.02451	7.8
113.83968	1.5
114.83659	1.4
119.03513	5.1
123.04522	1.4
125.02465	8.0
125.09682	2.0
130.12370	1.6
131.03499	1.6
134.03732	3.0
136.05298	2.0
142.02728	2.1
143.03490	3.8
151.07675	3.2
160.01711	3.4
161.04518	3.8
161.09605	2.0
163.11301	9.5
165.09006	1.9
171.10268	11.4
175.03970	3.6
179.05611	5.2
179.10794	2.1
181.12373	3.6
183.13857	7.4
185.11732	3.2
189.09338	1.7
193.05048	2.8
197.11862	3.1
199.09665	2.3
199.13350	3.7
201.11288	9.8
207.10243	50.5
209.11890	15.6
210.06895	1.7
211.13391	62.6
221.06667	3.7
225.09317	2.7
225.11316	40.8
227.12820	11.4
229.16167	1.7
235.08171	6.4
243.12294	4.5
256.97345	1.6
269.83707	1.5
309.17133	3.5
309.20593	3.8
373.23798	2.2
379.12396	2.8
383.21802	2.6
391.24960	2.0
397.13489	25.3
401.23248	6.4
415.14511	9.2
419.24442	5.2
462.51563	1.7
482.60165	2.0
515.37567	1.5
605.24286	4.7
623.25922	8.6
669.46521	1.9
771.38013	2.3
799.37811	14.2
806.50250	1.8
817.38776	25.3
818.39185	9.5
825.27747	3.7
835.39398	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	895.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	3.1
71.01381	100.0
71.53674	1.6
72.01723	1.2
72.99302	3.4
73.02946	4.7
75.00870	1.6
81.03470	2.7
83.01401	1.1
83.05030	2.4
85.02942	6.2
87.00879	6.5
88.98803	1.7
89.01933	1.9
89.02442	19.3
94.07013	1.0
95.01403	1.9
95.05022	1.4
97.02957	8.7
97.06593	1.0
99.00880	4.4
101.02450	15.3
109.06593	13.7
111.04474	1.1
113.02453	9.6
113.03183	1.6
113.94562	1.0
119.03511	5.5
121.02951	2.1
121.06622	1.8
125.02454	8.1
135.08171	2.9
139.86284	1.0
141.01859	1.3
142.02693	3.1
143.03534	2.6
161.04498	2.9
163.11282	12.2
171.10265	9.7
173.11317	1.1
179.05621	6.4
181.12350	4.8
183.13864	7.2
185.11784	1.9
193.12350	2.9
199.09825	2.6
199.13376	4.9
201.11279	5.7
207.10251	48.6
208.10478	1.5
209.11815	14.6
211.13379	79.1
212.13687	3.4
221.06587	2.7
225.11317	32.6
226.11603	1.7
227.12872	8.8
229.59021	1.1
234.31522	1.3
235.08176	3.9
243.12196	2.4
253.09285	2.7
287.07590	1.5
305.08899	1.3
329.24503	1.2
339.23355	1.2
373.23862	2.9
379.12466	3.0
383.22321	1.5
391.24896	4.9
397.13464	33.4
398.13959	1.5
401.23190	6.9
415.14597	11.4
419.24454	6.5
493.27887	1.4
591.26508	1.6
605.24188	3.7
609.27759	2.3
623.25275	4.5
625.27313	2.3
771.38184	3.4
781.36176	2.7
799.37634	15.1
800.37134	2.2
817.38550	33.4
818.39075	8.1
835.39648	3.5
889.80579	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	4.6
69.34000	1.2
69.34399	4.2
71.01381	100.0
72.01721	1.1
72.99313	7.2
73.02927	0.8
75.00878	3.0
81.47307	0.6
83.01395	4.7
85.02955	3.1
87.00877	2.0
89.02470	1.7
92.75188	0.8
95.01398	1.8
96.95999	1.3
96.99338	0.9
99.00867	3.3
99.04517	30.1
104.02966	0.7
105.76460	0.6
108.15071	0.7
113.02429	3.6
115.00378	34.7
133.01431	50.1
134.01759	0.8
135.04489	1.1
139.00392	1.5
157.01410	4.5
159.08170	1.2
160.19710	0.7
163.60698	0.7
164.60652	0.7
175.02484	11.6
182.78075	0.7
199.07637	1.7
209.11827	4.8
211.07613	0.7
212.08278	0.9
239.07153	1.1
240.08081	0.7
278.06183	0.8
353.62424	0.8
370.17502	0.7
373.20355	1.2
397.13834	0.9
455.24442	1.5
495.24301	1.2
497.21445	1.0
513.24921	2.7
527.23242	1.8
535.23285	1.0
539.26648	5.5
577.25049	0.9
579.25897	1.8
595.25134	3.7
597.27057	6.3
609.27496	1.2
619.25653	4.0
627.28040	13.0
628.28943	1.4
629.29761	8.3
630.30420	1.2
637.26489	8.8
639.68323	0.8
641.30005	1.2
651.28497	2.6
655.27856	1.7
669.29144	52.4
670.29510	6.3
687.30164	47.8
688.30334	5.8
713.28131	0.9
834.47986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	4.1
71.01379	100.0
72.99308	7.6
83.01372	6.9
85.02969	2.8
87.00905	2.1
96.95998	11.2
98.20700	2.2
99.00863	2.7
99.04514	27.4
111.00853	1.7
113.02448	3.9
115.00376	37.7
133.01434	49.0
157.01404	5.3
175.02455	12.4
200.62553	1.4
229.09448	2.0
253.19583	1.3
305.78806	1.7
508.66409	1.6
513.25482	2.9
527.23169	1.9
539.26398	5.5
595.25818	2.1
596.26276	1.5
597.26752	6.7
598.27222	1.6
619.25372	3.7
627.28174	11.9
628.28815	2.3
629.29822	10.2
637.26373	8.6
651.27966	4.4
655.27301	2.2
669.29150	55.2
670.29559	8.6
687.30188	52.6
688.30994	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	895.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00321	0.4
73.02007	0.3
83.01397	0.6
94.72870	0.3
96.96014	1.4
98.20266	1.8
101.02426	0.4
106.06641	0.6
107.01388	1.3
108.02168	0.7
108.22752	0.3
109.02950	0.8
121.02924	1.1
122.06125	0.4
124.07696	0.7
132.04552	5.6
133.05339	2.2
134.06129	0.8
135.00920	0.4
136.22571	0.3
148.01674	0.5
150.05612	0.4
151.00356	6.3
154.17661	0.3
163.00366	1.5
164.01154	0.3
165.04320	3.0
166.10614	0.3
177.04260	0.5
178.05078	0.3
178.99884	2.5
186.09210	0.7
209.03287	0.8
211.03838	0.5
213.06796	0.3
214.12317	1.0
215.03468	0.5
215.11867	0.9
216.04240	0.4
226.02727	0.8
227.03421	1.5
229.09808	0.5
241.09743	0.6
243.02994	4.9
244.03479	0.4
245.04417	0.7
254.02159	0.8
255.02974	16.6
256.03378	0.9
257.13010	2.5
271.02466	30.3
272.02951	2.1
273.03793	0.4
273.12436	0.3
283.02393	0.7
283.10818	0.7
299.01978	0.7
300.02734	67.6
301.03470	26.2
301.11850	1.2
302.03851	1.4
335.12552	0.9
341.13647	0.3
345.10843	11.4
346.11157	0.7
429.21494	0.4
457.90134	0.3
463.08783	1.3
505.09863	100.0
506.10208	9.5
615.67218	0.3
696.21655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02698	0.9
68.99831	2.0
69.67379	3.5
69.67789	2.3
71.01385	23.1
75.00883	6.4
83.01409	1.5
83.05056	2.2
85.02938	3.0
87.00877	1.0
88.98801	2.2
89.03941	2.0
89.96003	1.0
93.03488	2.4
95.01397	1.0
95.05038	2.1
97.02918	1.8
98.19933	1.9
99.00886	98.1
100.01250	1.5
103.00377	4.4
104.48614	1.0
107.05057	1.7
109.02951	2.1
110.03932	0.9
111.04557	5.6
117.03460	5.6
119.05016	2.9
120.83707	1.0
121.02963	4.7
121.06652	1.2
123.04543	2.6
125.02480	1.4
126.90401	14.8
127.00404	1.8
127.04014	1.4
128.03531	6.6
130.79335	1.1
132.02179	19.6
133.02974	5.1
134.03741	79.6
135.04459	1.7
136.01674	2.8
137.02432	3.1
137.06082	1.1
139.03999	4.1
147.04517	14.8
149.06070	10.6
151.04004	1.9
153.05568	2.4
159.04468	1.1
160.01663	89.6
161.02245	4.8
164.04689	1.0
165.05563	2.3
167.03551	1.2
175.04005	100.0
176.04340	5.5
177.05571	1.0
178.02777	7.3
178.85320	1.1
179.03432	1.3
192.04300	4.2
193.05054	69.0
194.05772	4.6
211.06085	3.0
229.04616	1.1
455.16815	1.1
473.18118	1.9
491.19315	1.3
551.22388	1.0
585.20874	4.5
605.20306	2.2
613.21088	1.9
623.21356	2.7
649.22827	16.2
650.22894	2.2
667.23999	18.9
668.23938	3.3
695.23590	1.4
709.26947	1.0
735.26428	1.4
753.25421	14.2
754.26117	1.5
757.28088	2.8
779.27496	5.9
797.28064	11.1
798.28687	2.2
825.12128	1.8
825.27679	33.0
826.27643	6.3
853.53638	1.1
857.30157	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	893.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	5.3
75.00863	1.4
85.02954	1.5
87.00877	1.1
88.98794	0.9
89.16273	0.7
91.01891	0.7
95.05022	0.7
99.00884	12.6
99.04531	0.7
103.00370	3.1
111.04530	1.8
115.00397	1.5
121.02972	2.2
121.06618	1.6
123.04551	1.3
127.83347	0.7
129.01941	5.4
134.03719	3.1
135.04572	1.0
139.04008	1.0
142.64204	0.7
145.02919	0.8
147.04509	2.4
149.06102	1.8
151.04045	1.0
151.26636	0.6
155.08717	0.9
158.03760	0.9
159.04535	2.2
160.01601	1.4
161.06165	1.0
162.83907	2.1
163.14171	0.7
165.05571	1.5
175.03973	1.8
177.05540	1.4
193.05099	4.8
194.05872	2.6
210.06865	70.6
211.07324	3.0
225.09212	100.0
226.09563	4.1
229.31998	0.8
235.07629	5.4
236.08455	2.2
238.10071	1.2
263.07159	1.1
264.07935	5.2
279.10291	3.1
287.33163	0.7
297.11340	1.0
308.06998	1.0
323.09204	3.1
341.10336	7.0
473.18298	2.2
491.18927	0.9
735.24823	1.9
753.25574	2.1
761.25336	1.0
797.27936	8.6
798.26605	0.9
825.27502	4.8
829.31152	1.4
857.30457	1.7
857.93408	0.9
893.28186	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	4.3
72.99305	2.9
83.04997	1.3
85.02929	1.4
87.00873	2.0
89.28658	1.3
93.03442	2.3
95.05010	1.8
95.46093	1.2
95.49324	1.3
98.19936	4.9
98.20624	2.8
99.00878	14.3
107.05066	1.6
109.02893	1.6
109.05997	1.6
111.04510	3.7
121.02938	4.3
121.06602	1.7
123.04523	2.7
129.01958	3.4
132.02170	1.5
134.03737	6.1
135.04456	2.1
147.04500	5.3
149.06038	3.6
151.04039	2.5
159.04530	2.8
160.01665	8.8
167.03448	2.3
175.04025	10.9
177.05585	1.7
193.05017	11.2
210.06845	61.0
211.06041	5.4
211.07709	3.3
225.09200	100.0
226.09460	4.5
235.07585	6.9
236.08362	3.3
238.09813	2.1
263.07059	3.3
264.08026	6.9
279.10278	4.1
305.08362	1.7
308.06683	2.1
323.09320	6.5
325.08109	1.6
341.10330	12.4
367.15439	1.5
429.15598	2.6
437.16132	1.6
455.17209	2.2
473.18079	6.1
585.21082	1.8
592.75891	1.8
657.23279	2.3
668.10443	1.6
748.63965	1.5
753.25531	22.8
754.25763	3.0
779.27191	7.1
780.25757	1.9
797.28040	8.9
825.27740	28.3
826.27844	5.4
857.30627	1.6
893.27527	11.6
894.27740	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	891.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	0.6
70.27583	0.4
70.89637	0.8
70.89956	0.5
71.01402	0.6
71.05005	2.3
82.59174	0.4
83.05013	0.7
87.25353	0.4
88.32092	0.4
88.84207	0.4
88.89441	0.4
97.06593	1.4
97.48608	0.4
109.06609	1.0
111.07385	0.7
111.08157	13.8
112.08486	0.4
125.09720	1.0
127.07674	0.8
137.09741	3.3
151.07649	0.9
152.08434	0.5
153.12831	1.1
154.99883	0.6
169.12328	4.4
171.10268	9.8
173.00874	0.9
179.10789	0.6
181.12358	1.1
183.13918	0.5
185.11806	1.2
193.12282	0.6
197.11827	58.0
198.12105	2.0
199.13405	2.2
209.11923	0.4
209.15477	1.5
211.13388	6.2
221.15427	0.6
227.12894	1.8
251.16556	2.4
263.20203	2.8
265.18073	2.6
273.18625	1.4
291.19669	19.1
292.20004	0.9
309.20703	100.0
310.21042	5.6
630.44318	0.4
647.91382	0.4
685.47913	0.5
693.32281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
65.27943	11.2
70.98510	13.0
71.01390	24.2
74.65369	11.4
89.02428	12.4
101.02446	20.2
109.59537	9.6
120.25501	10.6
145.02910	11.0
171.10246	100.0
172.10535	32.3
259.61450	12.6
261.30341	12.2
277.21729	31.5
278.22073	37.3
279.22342	30.8
381.12778	14.0
415.14038	12.3
597.77307	12.4
660.98138	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	892.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	12.0
74.28899	10.3
81.41224	11.5
87.54532	11.0
89.02459	24.1
101.02431	21.9
104.00154	10.3
126.69915	11.5
171.10254	100.0
172.10599	41.3
173.10770	16.1
212.85126	12.8
277.21732	50.9
278.21973	36.6
311.16855	33.8
333.37158	13.2
379.12717	12.9
397.13528	27.4
398.13968	20.3
399.14117	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	889.48
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	0.8
69.03467	0.8
71.01381	16.7
71.22965	0.6
72.99307	1.2
73.02950	2.7
81.03455	0.8
83.01387	2.2
85.02952	4.4
87.00883	4.6
89.02442	12.4
95.01392	1.4
97.02949	3.0
99.00891	1.1
101.02447	12.4
111.04538	0.6
113.02453	7.1
115.04052	0.5
116.92873	1.0
119.03503	4.1
121.02979	0.5
125.02453	5.9
125.09731	1.1
127.11313	2.5
131.03525	0.4
131.97498	0.4
137.34827	0.3
139.03970	0.5
141.01898	0.3
143.03499	2.4
153.09221	0.4
161.04539	4.3
167.03505	0.5
171.10266	100.0
172.10635	3.1
179.04027	0.4
179.05573	3.2
184.73976	0.4
185.04434	0.4
194.48180	0.4
199.06168	0.5
209.11852	0.3
213.11427	0.8
217.07138	1.5
221.06674	1.2
235.08197	4.8
245.06599	0.5
253.09312	0.8
259.08295	1.3
263.07785	0.4
275.20154	0.4
277.21707	56.3
278.22153	3.1
287.07761	2.2
299.29468	0.3
301.09238	0.5
305.08713	2.0
323.09814	1.5
379.12427	15.3
380.12741	0.7
389.18018	0.4
397.13492	39.4
398.13809	2.5
415.14603	6.9
416.15018	0.4
459.18491	0.4
551.23444	4.9
552.23285	0.5
569.24561	5.4
570.25043	0.6
657.34497	2.1
675.35883	2.3
676.36121	0.6
829.47186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	0.8
69.03456	1.3
70.53563	0.8
71.01382	16.9
72.99308	1.5
73.02949	3.3
75.00871	0.4
76.95655	0.4
81.03471	1.0
83.01385	2.4
83.05023	0.4
85.02955	4.3
87.00890	4.3
89.02442	14.3
95.01405	1.7
96.74104	0.3
97.02940	3.2
99.00901	0.9
101.02443	14.1
111.04523	1.0
113.02454	8.4
113.82552	0.4
119.03497	3.6
121.02995	0.5
125.02450	9.3
125.09707	1.1
127.11283	1.9
131.03474	0.8
139.04019	0.5
143.03482	3.4
153.09239	0.5
161.04561	4.4
167.03468	0.7
171.10266	100.0
172.10602	2.6
179.05611	3.1
199.06055	0.9
209.11789	1.1
213.11162	0.5
217.07182	1.8
221.06746	1.3
222.03311	0.4
235.08202	6.8
245.06538	0.4
253.09363	0.8
259.08231	1.1
277.21710	72.3
278.22061	3.6
287.07822	2.7
301.09354	0.6
305.08722	2.7
319.23132	0.5
323.09830	1.2
356.03693	0.4
379.12439	18.0
380.12793	1.6
389.18143	0.5
397.13492	47.1
398.13754	2.1
415.14566	9.5
416.15347	0.5
459.18387	0.4
551.23413	4.9
565.29919	0.5
569.24481	3.3
657.34973	2.0
675.35840	4.2
676.35883	0.5
808.46680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	8.0
69.03452	1.6
71.01383	17.2
71.05022	0.8
71.53619	0.7
71.54022	1.0
72.99303	0.9
73.02937	5.3
83.01384	3.4
84.94494	0.7
85.02949	14.3
87.00865	2.0
89.02450	6.1
96.96002	3.2
99.00866	1.2
99.04527	2.7
101.02440	9.8
103.04016	16.2
108.02190	0.9
111.08187	0.8
113.02457	6.5
119.03477	1.7
123.08163	0.8
125.02457	1.3
125.08981	0.8
125.29996	1.1
127.07622	3.1
133.02885	0.8
137.06075	2.8
137.09839	1.0
139.11287	3.8
140.31447	0.9
155.07156	3.7
159.02980	1.4
161.04547	3.6
165.09164	1.2
183.10220	6.9
197.11824	2.3
205.12386	0.9
207.13895	3.4
209.15413	3.5
225.11369	3.9
249.11298	1.3
251.12849	4.3
265.09256	5.3
273.62091	0.8
299.24432	1.0
333.29361	1.0
353.19699	19.1
354.19983	1.5
371.20761	8.3
390.64053	0.8
413.21793	57.4
414.22128	5.1
415.22186	0.9
429.17612	2.6
430.18286	1.0
431.19189	100.0
432.19662	5.7
501.92627	0.9
593.34882	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.5
70.79714	0.3
71.01385	20.9
72.99309	1.7
73.02943	0.9
81.07085	0.4
83.01381	1.5
85.02955	4.9
87.00870	1.3
88.53915	0.3
89.02444	18.9
94.54437	0.3
95.01398	1.1
96.96001	0.3
98.20675	0.8
99.00887	0.7
99.04540	2.7
101.02444	11.6
111.04494	1.2
113.02448	7.7
119.03506	8.9
122.07517	0.3
125.02525	0.3
131.03477	0.8
143.03514	1.9
145.68095	0.4
146.68066	0.3
149.04597	0.7
161.04556	2.8
161.13359	9.3
166.05046	0.9
179.05605	7.8
187.11237	2.0
201.11285	0.5
205.12329	19.9
206.12665	0.8
209.11948	0.5
209.15428	0.5
249.11322	25.9
250.11687	1.3
333.57663	0.4
353.19601	0.8
371.20804	1.9
385.18573	3.0
413.21915	3.2
429.17627	100.0
430.17975	7.2
515.28436	0.4
865.48468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	4.7
65.70851	0.6
66.30337	0.5
69.16869	6.3
69.17277	1.0
71.01379	8.2
72.99301	0.9
73.01166	2.9
73.02933	1.1
74.00701	0.9
75.00872	2.2
83.05038	0.8
85.02959	2.8
86.02474	5.9
86.55173	0.8
87.00887	1.1
89.00669	100.0
90.01030	1.0
93.03440	1.6
95.05046	0.9
97.02945	0.9
98.19929	1.3
99.00878	16.4
99.04546	1.6
101.02424	1.4
102.46950	0.7
103.00370	1.0
105.04775	0.8
105.56286	0.7
107.05036	1.3
109.02925	0.8
111.04520	2.6
113.02466	1.1
116.01740	0.7
117.00163	15.6
119.04973	1.2
120.01254	7.2
121.02955	3.2
121.06559	1.0
123.04530	2.2
127.04009	0.8
135.01225	26.6
135.02254	1.5
135.04538	1.2
137.06035	1.1
147.04523	31.9
148.04993	0.8
149.06078	1.9
151.03975	0.9
160.04362	13.3
161.06036	0.8
165.05602	1.8
176.03831	9.1
176.05013	0.8
177.05551	1.2
187.07616	1.1
187.11317	1.8
193.05052	2.6
194.05815	1.3
204.03348	43.0
205.03542	1.4
211.06139	1.1
222.04382	14.5
231.10356	1.0
265.09232	0.8
279.12302	1.2
285.69867	0.7
419.68845	0.7
437.16180	0.8
491.19208	14.4
492.19717	1.3
519.18353	1.0
621.23822	1.1
649.23260	2.1
678.22357	1.1
696.23047	1.7
753.36621	0.8
826.26978	0.9
843.41693	0.7
854.26801	5.5
886.29352	11.9
886.45038	1.1
887.30475	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	885.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	0.4
67.01868	0.2
68.99821	0.3
69.03465	1.1
71.01382	16.7
72.99310	1.3
73.02940	2.7
75.00872	0.4
78.95908	0.3
80.02683	1.0
81.03455	2.0
83.01375	2.0
83.05026	4.9
84.02161	0.6
85.02949	3.4
87.00877	3.8
89.02444	12.4
91.04003	0.2
93.03503	0.3
95.01395	1.2
95.05026	1.0
97.02953	2.5
97.06574	0.2
98.20029	1.1
99.00896	1.1
99.04533	0.3
101.02445	12.7
102.02776	0.2
103.04006	0.2
107.05006	0.2
109.02945	0.4
109.06557	0.3
110.98496	0.2
111.00847	0.4
111.04532	0.4
113.02449	7.3
113.06095	0.2
115.04013	0.3
119.03499	3.3
121.03017	0.3
123.04541	0.3
124.01662	0.2
125.02447	5.7
125.06078	0.5
126.90459	0.2
127.03974	0.3
129.01884	0.2
131.03511	0.7
133.05084	0.5
135.08168	0.7
137.02402	0.2
139.04005	0.6
141.01886	0.4
143.03500	2.6
147.11798	0.2
149.04555	0.3
157.05115	0.2
159.02936	0.2
161.04562	2.9
163.11299	3.9
165.12856	1.9
167.03505	0.4
169.05130	0.2
179.05606	3.8
181.12358	0.6
185.02263	0.5
185.04588	0.3
191.10803	0.9
199.05980	0.3
199.13435	0.4
203.05571	0.2
207.10249	0.4
208.10725	0.2
209.11821	100.0
210.12161	3.8
217.07088	0.9
219.04994	0.3
221.06584	1.4
225.11342	0.3
227.12891	13.8
228.13217	0.7
235.08211	5.2
244.22716	0.2
245.06760	0.2
251.12892	0.4
253.09267	1.0
259.08356	0.2
259.20657	0.2
263.07715	0.4
269.06525	0.2
275.20264	0.2
277.21716	59.5
278.22064	3.4
287.07700	2.0
291.23331	0.4
305.08807	1.9
319.22873	0.4
323.09778	1.2
345.74344	0.2
361.11441	0.4
379.12442	6.8
380.12863	0.5
389.42175	0.2
397.13495	40.1
398.13809	1.9
413.54272	0.2
415.14548	9.0
416.15033	0.5
445.23596	3.4
446.23926	0.2
491.05923	0.2
529.24603	0.2
565.30261	0.3
589.24860	0.6
607.26068	1.0
657.35474	0.3
675.35846	0.9
885.47589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.484
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	0.8
69.03456	1.0
71.01383	13.4
71.53566	0.3
72.99313	0.9
73.02943	2.1
78.95911	3.3
80.02699	1.2
81.03464	2.3
83.01389	1.7
83.04523	0.3
83.05025	5.2
84.02157	0.7
85.02950	3.6
87.00869	3.5
89.02447	11.7
95.01392	1.2
95.05030	0.7
97.02954	2.2
97.06573	0.4
99.00897	0.7
99.04517	0.5
101.02441	10.0
109.02989	0.2
110.98515	2.6
111.00848	0.4
111.04507	0.7
112.98520	0.3
113.02448	6.5
119.03498	3.0
121.02961	0.3
121.68371	0.3
125.02454	5.3
125.06077	0.6
127.04018	0.4
129.96758	0.3
131.03528	0.7
133.05067	0.3
135.08133	0.7
139.03976	0.5
141.01884	0.4
143.03506	2.5
149.04578	0.6
161.04541	3.5
163.11301	3.8
165.12833	2.5
167.01137	0.9
167.03529	0.3
169.05138	0.3
179.05609	3.2
181.12280	0.4
185.02194	2.5
191.10791	1.3
199.06203	0.4
199.13391	0.7
209.11819	98.9
210.12146	4.6
217.07063	0.4
221.06636	1.4
225.11302	0.5
227.12881	12.4
228.13200	0.5
235.08221	4.0
251.12785	0.7
253.09213	0.9
259.08246	0.6
259.20715	0.4
263.07846	0.4
277.21707	100.0
278.22061	5.9
287.07663	1.6
291.23141	0.4
305.08936	1.3
323.09781	1.2
361.11310	0.4
379.12445	6.4
380.12781	0.4
397.13492	34.0
398.13861	1.7
415.14539	8.3
416.14545	0.4
445.23611	27.1
446.23962	2.6
589.25012	1.0
607.25726	1.6
625.27008	0.4
675.36346	0.4
885.48199	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
63.23669	0.3
65.99861	0.4
69.55458	1.7
71.01378	4.8
71.83151	0.3
72.99284	0.4
73.02920	0.4
74.40809	0.3
74.68784	0.3
77.30009	0.3
80.05074	0.3
81.36025	0.3
83.01379	0.4
83.05014	1.0
85.02940	1.3
87.00874	0.3
89.02437	3.4
94.02980	2.8
95.01360	0.3
95.05011	0.4
96.04549	0.4
96.96000	0.5
97.01690	0.3
98.02459	0.4
101.02444	2.8
104.05062	0.4
106.06598	0.6
107.03785	0.4
108.04557	6.8
110.06112	0.4
113.02454	2.0
118.48664	0.3
119.03498	1.4
120.04544	1.1
122.02477	0.4
122.06123	10.5
124.04037	2.4
125.02397	0.4
126.90669	0.3
130.02998	0.8
132.04518	1.2
133.04140	0.3
134.06117	6.7
135.06886	0.6
136.04044	8.2
136.07677	9.1
137.04782	1.3
137.05705	0.2
138.05623	2.2
146.06165	0.3
147.06815	0.5
148.04024	0.9
148.07661	0.3
150.04459	0.5
150.05608	9.2
151.06326	0.6
152.07173	2.4
155.05879	3.9
158.02464	4.3
159.02824	0.3
159.11774	0.3
160.04018	0.5
162.05595	0.4
163.08757	0.5
163.39392	0.3
164.07182	0.3
166.05070	1.0
166.08734	3.3
172.07706	0.3
174.09172	1.0
174.60838	0.3
175.05075	0.4
176.03500	1.0
186.04239	0.4
186.09216	3.2
187.11266	0.4
188.07162	0.4
188.10768	0.8
190.05086	14.7
191.05392	0.6
192.06635	1.5
200.05829	0.4
201.06522	1.8
202.07127	1.4
202.08777	1.0
202.12334	1.7
203.08075	0.6
210.07698	1.2
212.10773	1.8
214.07451	1.3
215.08167	2.7
217.09653	0.3
218.11826	0.5
227.08243	0.6
227.11938	0.4
228.06628	0.4
228.10289	3.8
229.09799	14.1
230.12029	8.0
231.11310	2.1
232.71933	0.3
239.08119	0.7
239.11920	0.7
240.09019	0.7
243.07648	0.4
243.11426	1.0
244.08443	0.8
245.09294	5.4
245.12924	1.1
246.09322	0.4
246.11519	0.4
255.11368	4.1
257.09299	6.5
257.11832	0.6
258.10056	1.0
259.10797	0.7
260.11618	0.4
263.08215	0.3
267.07590	0.3
273.12433	21.3
274.10269	0.6
274.12790	1.3
275.10376	3.6
277.09851	0.7
281.09219	0.5
283.10812	1.3
290.12698	0.5
291.07822	0.4
291.13495	1.4
293.09396	0.6
295.10822	0.7
299.10281	0.5
305.09210	1.4
309.08762	1.5
309.12253	0.6
314.12421	1.0
317.11395	15.9
318.11880	0.8
323.10312	0.7
334.11600	1.4
335.12463	100.0
336.12793	5.7
337.11914	9.5
338.12451	1.0
339.13776	0.3
357.14728	0.5
366.14297	0.6
382.26395	0.3
517.18274	40.5
518.18750	4.1
519.19263	0.3
551.18073	0.4
635.35284	0.3
653.22101	0.5
654.23041	3.4
685.24731	1.9
686.25464	3.1
687.26166	0.6
717.27667	0.5
749.30872	0.7
759.28467	0.5
761.26672	0.4
791.31238	0.7
793.29572	1.2
821.27405	0.4
825.32019	0.5
835.30853	0.7
853.31653	2.8
867.32983	0.6
885.34167	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	2.6
69.03447	1.0
70.46954	0.6
70.86372	0.6
71.01015	0.9
71.01383	15.8
71.05004	2.7
72.99309	1.1
73.02935	1.8
75.77288	0.9
80.14093	0.6
83.01377	1.8
85.02950	3.5
87.00867	2.8
89.02439	10.4
95.01375	1.1
95.04971	0.9
97.02963	4.4
97.06569	2.0
99.00890	10.1
100.71122	0.6
101.02444	10.2
109.06599	1.5
110.03738	0.7
111.08154	0.6
113.02446	4.5
119.03470	1.6
123.08194	1.0
125.02435	2.9
125.09711	5.3
127.11311	1.0
134.33676	0.7
142.02670	0.7
143.03502	1.3
161.04529	1.5
163.11255	6.0
171.10278	7.2
179.05563	0.8
179.10727	0.7
181.12331	9.4
182.12617	0.8
194.15800	0.7
197.11806	2.0
199.13359	8.6
201.11404	1.6
207.08363	1.3
207.10252	22.1
208.10667	0.8
221.06613	1.5
225.11308	31.0
226.11633	1.3
229.11827	0.8
230.76895	0.7
235.08165	1.9
243.12332	7.5
253.09273	1.7
255.23282	49.1
256.23651	3.4
291.19638	7.1
309.20667	2.9
379.12341	2.2
397.13333	7.9
415.14615	1.2
437.23880	0.7
527.28748	0.9
578.09790	0.8
605.24536	2.4
623.25677	1.5
653.37921	1.0
835.46960	1.0
861.48541	10.9
862.48865	1.3
879.49567	100.0
880.50000	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	881.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	5.3
69.03458	1.5
69.27353	2.9
69.27759	6.6
71.01379	23.2
72.99304	4.2
73.02934	3.9
76.42916	1.3
78.95889	2.3
80.02667	1.6
81.03448	2.1
83.01392	3.5
83.05031	4.6
84.09039	1.1
85.02944	5.7
87.00880	5.9
89.02448	21.6
95.01399	1.6
97.02965	3.5
99.00904	3.8
101.02448	18.9
105.73797	1.0
112.98819	2.2
113.02444	10.1
115.00391	2.0
116.92844	2.4
117.97826	0.9
119.03510	5.3
125.02429	6.4
125.09767	2.2
127.11272	3.8
131.03416	1.1
142.99863	3.3
143.03490	3.4
152.02588	1.1
152.03802	1.3
152.99596	2.9
155.10776	2.2
161.04538	4.4
163.11295	4.1
165.12903	2.0
170.71745	1.1
171.10213	2.9
174.01692	4.5
175.02487	4.0
175.91347	1.2
179.05583	3.8
201.11333	73.7
202.11638	3.3
209.11829	100.0
210.12117	3.7
211.13383	11.5
220.83331	1.0
221.06593	1.3
223.13350	1.9
227.10817	1.2
227.12935	14.5
235.08229	6.3
253.09328	3.1
255.23293	74.5
256.23624	4.7
277.21725	11.5
278.22067	1.4
287.07907	1.7
291.19788	2.5
293.21198	3.5
305.08795	2.2
309.20673	3.5
323.09729	1.4
372.32608	1.1
379.12442	12.7
397.13498	59.0
398.13861	3.5
415.14661	10.8
523.11993	1.2
581.24316	3.7
589.25269	2.5
599.25641	3.2
607.26276	1.8
635.36145	2.3
653.37390	9.0
803.41602	1.4
815.12903	1.2
837.48108	3.4
881.48840	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	877.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	2.7
68.58241	0.8
69.03446	4.4
71.01382	11.7
71.05032	1.7
71.53368	1.0
72.99313	0.9
73.02934	2.6
78.95837	0.9
83.01397	2.1
83.05103	0.7
85.02955	3.2
87.00855	2.4
89.02444	7.1
95.01394	1.4
97.02938	1.8
97.06586	0.7
99.36311	0.7
101.02448	8.7
107.04932	0.9
109.02962	0.8
112.13228	0.7
113.02451	4.0
119.03498	2.0
121.02959	1.2
125.02438	2.0
125.09693	1.0
143.03403	0.7
151.11325	2.3
153.12906	0.9
161.04617	1.1
161.09708	2.8
175.02394	0.9
179.10788	4.5
185.02197	1.5
197.11829	30.0
198.12032	1.2
209.11871	1.8
217.43674	0.8
221.06648	1.2
223.09807	0.8
235.08101	1.0
241.10884	1.6
255.23282	43.0
256.23663	2.2
262.16241	0.8
279.23206	1.0
374.12515	0.8
397.13409	2.1
538.34863	1.0
629.02924	1.0
877.47974	100.0
878.48163	17.6
883.90863	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
62.23258	0.2
63.02370	0.4
65.00316	0.7
69.03442	0.6
69.68566	0.2
71.01357	1.0
71.53877	0.3
73.02940	0.7
79.01871	0.2
83.01420	0.4
85.02940	0.7
89.02422	0.4
97.02955	0.4
99.04439	0.2
101.02435	0.5
107.01382	2.6
108.02169	0.8
109.02951	0.8
113.02480	0.5
118.98084	0.2
121.02967	1.3
123.00901	0.2
124.80214	0.2
125.02425	0.8
135.00874	2.8
137.09775	0.2
148.01672	0.8
151.00363	6.9
163.00359	1.3
164.01117	0.3
167.03485	3.7
169.01476	0.2
178.99860	3.4
183.04488	0.3
187.04041	0.3
199.03867	0.2
201.05548	0.4
203.03506	0.3
211.03957	0.6
215.03448	0.4
216.04144	0.3
226.02718	0.7
227.03522	1.3
228.04031	0.4
229.05022	0.3
243.02989	5.0
244.03517	0.3
245.04536	0.8
254.02264	1.0
255.02983	14.2
256.03412	0.8
271.02466	31.9
272.02939	2.6
273.04010	0.7
283.02414	0.8
299.01886	0.4
300.02734	67.8
301.03458	31.2
302.03799	1.8
363.16687	0.7
449.20593	0.3
463.08801	100.0
464.09088	9.5
464.15842	0.3
465.09183	0.3
597.54919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.293
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	0.4
61.98831	100.0
71.01385	0.2
75.97094	0.2
81.03420	0.2
87.00872	0.3
88.00423	0.6
88.98800	2.3
89.02448	0.5
90.98738	0.2
116.92870	0.7
125.02481	0.9
133.97565	0.2
147.04561	0.6
151.04070	0.4
161.02573	0.2
209.11928	0.3
282.45279	0.2
289.07251	0.5
318.55609	0.2
590.60504	0.3
610.97058	0.2
664.92218	0.2
813.95337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	6.5
62.94020	0.8
63.30708	0.8
64.99706	0.7
69.95353	3.4
69.95755	1.5
71.01376	1.6
81.21534	0.8
88.98812	1.9
98.20581	1.0
101.02473	0.8
116.92910	0.9
120.66357	0.7
121.02960	49.6
167.94398	0.8
190.53943	0.7
201.11247	2.1
209.11812	1.6
225.09245	1.3
232.34607	0.8
439.21051	2.5
457.22470	3.6
477.22882	5.8
501.23123	1.2
519.23950	6.1
561.24945	100.0
562.25220	11.9
681.29169	1.2
723.29742	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	876.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99302	0.1
61.98829	100.0
62.98525	0.1
64.79882	0.1
71.43423	0.2
72.99356	0.2
88.98811	0.7
90.89799	0.1
98.20370	0.1
99.00890	0.1
109.82895	0.1
138.53885	0.1
147.04529	0.2
260.70667	0.1
267.78906	0.1
297.80756	0.1
297.84482	0.1
775.74463	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	874.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98526	0.1
75.38818	0.1
98.19898	0.2
98.20609	0.2
104.01147	0.1
113.98245	0.1
116.60597	0.1
133.10759	0.1
147.04515	0.4
148.04813	0.1
172.45792	0.1
185.62349	0.1
210.18111	0.1
424.97113	0.1
465.46313	0.1
651.44104	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	874.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98513	0.1
62.99276	0.1
99.00887	0.2
100.31016	0.1
147.04562	0.2
148.04929	0.1
194.71248	0.1
215.55453	0.1
247.75603	0.1
320.51599	0.1
413.78976	0.1
473.38037	0.1
588.75098	0.1
782.29120	0.1
909.46997	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	874.292
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99339	0.3
61.88412	0.2
61.98831	100.0
69.63839	0.3
71.01386	0.4
87.00887	0.3
88.00423	0.4
88.98788	1.1
99.00877	0.2
100.82442	0.2
116.92868	0.4
121.02946	0.3
125.02482	0.5
147.04494	0.2
151.41843	0.2
209.11836	0.5
210.30995	0.2
219.51172	0.2
816.43201	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95342	0.1
61.98829	100.0
62.98521	0.2
63.76410	0.1
70.32912	0.1
70.89309	0.1
70.89693	0.2
98.20337	0.2
143.70465	0.1
147.04515	0.6
153.09422	0.1
293.21164	0.2
329.03793	0.1
447.61545	0.1
477.73862	0.1
586.61694	0.1
779.27515	0.4
874.44550	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	873.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71996	0.6
61.98798	0.6
65.00301	0.6
67.81359	0.6
71.01375	1.0
83.01362	0.9
85.02938	1.7
89.00657	2.2
89.19586	0.6
93.03451	0.7
96.96025	1.0
101.02431	0.8
107.01389	1.6
108.02177	1.3
109.02927	1.3
120.72578	0.6
121.02945	1.2
129.01927	1.8
134.03746	0.6
135.01147	1.8
147.03149	0.6
147.04530	1.8
148.01675	1.0
148.04778	0.6
151.00388	6.6
163.00368	1.4
164.01114	0.7
169.32907	0.6
178.99806	3.5
183.04500	0.7
190.99716	0.6
193.05011	0.6
198.33525	0.5
204.03342	1.4
223.04619	0.6
227.03311	1.2
229.04971	0.7
229.08636	0.7
243.02942	6.9
245.04570	0.7
254.02147	0.7
255.02979	17.3
256.03320	0.9
271.02472	34.6
272.02896	2.6
273.03946	0.8
283.02377	1.0
299.01785	0.9
300.02744	69.6
301.03467	26.4
301.06934	1.3
302.03922	1.3
369.18991	1.0
387.20261	1.8
429.21249	3.4
463.08820	1.5
505.09891	100.0
506.10236	9.0
728.76031	0.6
741.03827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	24.0
71.01383	11.2
72.99306	14.8
73.02970	0.8
75.00851	2.2
85.02933	3.2
87.00857	2.8
88.98777	1.1
92.37939	0.7
93.03449	1.5
95.04982	1.2
96.96004	1.2
97.02953	1.4
98.20666	1.9
99.00879	45.5
101.02471	1.0
103.05544	0.8
107.05019	0.9
109.02937	1.4
111.04503	3.8
113.02415	1.2
116.92860	8.0
117.92914	1.2
119.04980	2.2
121.02970	3.7
121.06608	1.0
123.04511	2.7
125.02425	1.5
127.03984	1.0
137.06055	0.8
139.03993	2.7
147.04517	100.0
148.04871	3.2
149.06055	1.7
151.03992	2.0
165.05528	2.4
167.03397	1.5
167.07281	0.8
177.05563	1.9
193.05006	2.7
194.05766	0.9
203.07196	1.0
211.06049	6.9
305.64423	0.8
323.82367	0.9
334.79681	0.9
345.24240	2.2
451.15393	0.9
485.17929	1.8
545.21234	0.9
603.22461	3.3
615.22559	1.2
633.23230	7.1
737.26074	1.7
763.27087	2.6
781.28674	11.1
782.29529	1.5
796.81512	0.9
796.96698	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	5.3
67.48582	0.6
68.99569	12.2
69.03427	1.1
69.17523	1.8
69.17946	5.4
69.69951	0.7
71.01381	14.9
72.99299	1.4
73.02943	2.2
75.83952	0.6
76.92452	0.6
83.01390	1.7
85.02952	3.5
87.00870	2.9
89.02445	11.2
94.11481	0.7
95.01367	1.1
97.02921	2.9
97.06569	2.7
101.02442	8.4
112.98563	8.7
113.02458	5.1
119.03465	1.8
124.96281	0.9
125.02401	2.2
143.03542	1.1
151.11293	11.5
161.04602	1.2
169.12350	65.2
170.12611	2.0
179.05629	0.9
195.10263	1.2
213.11308	9.0
221.06673	3.3
231.10959	0.7
235.08171	1.3
277.21707	17.8
305.08615	0.9
397.13327	2.6
401.29263	0.7
418.83545	0.7
593.24420	1.7
609.60101	0.8
611.25446	1.8
746.80627	0.8
805.63837	0.8
871.46887	100.0
872.31317	1.5
872.47296	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	871.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	19.2
63.99223	0.8
68.99822	0.9
69.03432	1.3
69.20274	5.5
69.20683	1.6
71.01383	7.4
71.09528	0.7
72.99313	3.8
75.00871	2.9
75.32907	0.7
81.03443	1.4
83.05009	1.0
83.77015	0.8
85.02940	4.1
87.00872	2.7
87.31825	0.8
88.98799	4.4
93.03458	2.9
93.79161	0.9
95.05010	3.2
96.96003	3.5
97.02964	1.9
99.00880	13.9
99.04482	1.1
99.92565	1.0
102.28016	0.8
103.00370	1.7
103.05508	1.0
105.01955	1.1
107.05016	2.2
108.02142	1.2
109.02971	2.3
111.04541	4.7
113.02446	1.7
115.00349	1.3
116.92858	2.9
119.05019	2.1
121.02951	10.9
121.06586	2.1
123.04524	6.7
125.02458	1.1
125.40837	0.8
131.04999	1.2
133.06564	0.8
135.04506	1.5
137.02458	0.9
137.06088	2.3
139.03992	1.4
147.04520	100.0
148.04829	2.9
149.06049	3.5
151.03981	2.9
159.04523	0.9
161.06030	1.6
165.05632	3.8
167.03477	1.2
173.06062	0.9
175.03923	0.9
176.04771	1.5
177.05539	1.8
189.05548	1.0
193.05060	8.6
194.05827	8.9
201.03084	0.9
203.07257	1.5
211.06078	4.8
267.59830	0.9
277.08603	1.0
298.26367	0.8
320.30908	0.9
453.15411	2.0
473.17804	1.9
549.67548	0.9
559.19427	4.7
567.20166	1.1
585.21436	2.7
587.22876	1.5
603.22076	1.6
604.89777	1.0
689.24091	2.5
691.25537	1.1
707.25287	2.4
715.24963	1.6
733.26563	11.4
734.26996	1.2
751.27405	9.9
752.27301	1.7
779.26508	7.0
780.26538	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	871.318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	2.6
68.99811	0.8
69.03453	1.4
69.37823	1.4
69.38235	3.5
71.01382	10.8
72.99318	3.7
73.02944	0.7
73.75750	0.6
75.00858	1.0
78.95947	0.6
79.05515	0.6
81.03467	0.8
83.05020	1.4
85.02950	4.8
87.00879	2.3
88.98746	0.7
93.03452	4.3
95.01363	1.1
95.05022	2.9
96.40285	0.6
96.99319	0.7
97.02948	1.7
99.00880	31.8
99.04523	1.0
103.00398	0.7
103.05537	1.9
106.04253	0.9
107.05032	1.4
108.02186	0.7
109.02935	1.4
109.06638	0.7
111.04520	5.3
113.02466	2.1
114.83063	0.5
116.92863	2.3
119.05041	1.9
121.02970	6.2
121.06606	1.8
123.04539	3.2
125.02432	2.2
127.04019	1.4
128.54904	0.6
131.05035	0.8
133.06601	0.8
134.03835	0.7
135.04536	1.9
137.02464	1.1
137.06085	1.7
139.03986	1.2
147.04518	100.0
148.04857	4.7
149.06142	2.9
151.04070	1.4
157.12662	0.6
161.06058	1.3
165.05551	2.2
167.03453	0.9
175.03983	0.9
176.04819	1.2
177.05557	1.0
193.05051	5.2
194.05811	2.2
197.11746	1.3
209.11819	0.8
211.06158	3.8
233.09598	1.7
286.42374	0.7
293.21158	2.0
383.14777	0.7
397.13895	1.0
437.16098	0.9
455.17221	1.2
458.65213	0.7
473.18295	1.7
559.19635	2.4
567.20294	1.3
585.21307	1.3
603.22437	2.5
689.23657	0.9
707.24896	1.2
715.25531	1.1
733.26788	2.3
751.28589	1.2
779.27136	28.5
780.27386	5.3
878.21741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	45.3
71.01389	34.9
71.84534	3.1
72.63889	3.3
72.99321	7.3
75.00884	5.0
79.05548	4.0
82.95428	6.7
83.05041	6.9
85.02929	9.4
88.24051	3.3
89.02418	4.7
93.03462	10.2
95.05029	8.0
96.96010	5.8
98.19926	10.8
99.00882	100.0
101.08631	3.1
103.00390	6.5
107.04991	4.3
109.02938	7.2
111.04516	10.9
112.32062	2.9
113.02478	4.3
115.05552	6.0
116.92892	3.5
119.33517	3.5
121.02983	20.9
121.06573	6.9
122.03739	4.6
123.04521	11.9
125.02397	4.6
133.06615	5.9
135.04495	4.3
139.03984	6.7
147.04512	42.5
147.08270	3.3
149.06047	10.9
150.03174	3.9
151.04018	9.4
155.08609	4.0
160.84224	5.2
161.05991	3.7
165.05435	5.7
166.02943	3.6
175.04059	4.8
175.07576	3.6
176.04733	4.0
177.05556	6.8
180.87970	3.1
187.11285	6.5
188.00471	4.4
193.04982	14.3
194.05873	7.3
205.10179	6.9
209.11783	9.5
211.06084	17.5
213.09248	5.4
233.09715	41.4
234.10020	3.4
251.10847	7.0
277.08725	14.2
295.09753	27.0
309.20609	4.1
452.10498	3.6
455.17310	8.5
473.17984	17.3
491.19196	29.1
689.24084	5.1
707.24829	4.3
715.25781	6.3
733.26697	12.5
734.25708	4.4
751.27826	10.9
779.27112	43.9
780.27551	6.2
827.85461	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	870.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98526	0.2
67.34672	0.2
67.35087	0.1
69.28969	0.2
69.93251	0.6
84.67468	0.2
93.81660	0.2
98.20596	0.3
101.02436	0.2
120.88547	0.2
127.01231	0.1
154.35156	0.2
171.10283	0.5
172.10646	0.2
174.61693	0.2
255.23308	0.2
257.23969	0.2
277.21689	0.2
478.48907	0.2
763.53033	0.2
877.01923	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	0.4
64.89133	0.3
65.00315	0.6
66.32230	0.3
71.01057	0.3
71.01382	3.7
73.02934	4.6
83.01376	2.0
85.02952	0.6
89.02456	1.3
100.67211	0.3
101.01815	0.4
101.02441	4.8
102.54089	0.3
106.27199	0.3
107.01414	1.9
108.02174	0.8
109.02959	1.0
113.02430	1.3
121.02962	1.3
122.60365	0.3
125.02419	0.5
135.00887	0.9
141.09169	0.7
148.01642	0.9
151.00366	7.5
159.04497	0.3
161.04543	0.5
163.00349	1.4
164.01083	0.4
178.99837	3.7
201.05670	0.3
202.50369	0.3
211.03922	0.5
212.26151	0.3
215.03799	0.4
222.39319	0.3
226.02684	0.7
227.03513	1.3
229.05020	0.7
243.02950	5.0
244.03526	0.5
245.04584	0.7
254.02167	1.3
255.02989	13.6
255.22545	0.3
256.03323	1.0
257.09192	0.4
262.70847	0.3
271.02460	30.4
271.99997	0.4
272.02914	2.5
273.03909	0.6
283.02359	1.0
299.01907	0.6
300.02737	68.3
301.03470	33.7
302.03772	2.3
321.15497	1.4
349.14111	0.6
363.16586	22.1
364.16864	1.5
449.20016	0.4
463.08795	100.0
464.09064	8.7
785.86353	0.4
853.31702	0.4
877.12109	0.4
887.35950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	11.4
67.67115	0.9
71.01382	7.5
72.99305	3.9
73.02953	1.3
83.01397	1.1
84.02163	5.4
85.02961	5.0
87.00877	3.9
87.04521	3.1
88.98825	1.5
89.02439	1.6
99.04545	1.5
101.02438	1.5
103.04004	10.5
111.00843	1.6
111.13916	0.8
112.01641	0.8
113.02393	1.4
137.92865	0.9
209.11841	2.7
233.15443	1.1
265.09140	1.0
279.15994	5.2
344.42352	0.9
411.25418	2.6
429.26434	4.4
457.25732	1.9
463.27347	1.2
469.25937	1.4
471.27597	4.2
473.29391	4.9
475.26959	1.6
499.27011	2.6
513.28595	1.3
517.28064	34.3
518.28467	3.9
531.29559	1.8
535.19202	1.2
559.29108	43.1
560.29218	5.9
577.29968	1.9
589.30640	1.6
619.31726	5.4
679.33429	3.4
739.35144	2.8
765.36938	27.1
766.37262	4.9
783.38116	7.4
784.38922	1.6
809.37250	2.6
825.39117	100.0
826.39380	17.2
869.38599	10.8
870.38098	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	0.9
62.47927	0.7
69.15887	4.3
69.16313	3.2
71.01015	1.0
71.01383	15.4
72.99297	1.4
73.02939	1.2
79.79760	0.7
80.05061	2.1
82.02940	0.8
83.01372	1.3
85.02950	5.5
87.00892	0.9
89.02443	12.6
94.02983	11.6
95.01405	1.2
96.96018	1.0
101.02451	8.7
104.05060	1.1
106.06643	4.7
108.04551	2.3
113.02447	6.1
119.03503	4.1
122.06120	4.7
124.04039	2.0
130.06657	1.0
132.04552	2.0
134.06120	22.6
135.06505	1.3
136.04033	2.3
136.07616	1.7
138.05594	2.6
146.06157	1.3
147.05632	1.0
148.04021	0.9
150.05573	3.8
152.07178	6.0
161.04549	0.9
168.06656	1.6
174.05493	1.3
180.06694	1.4
188.07256	1.0
190.05113	2.4
192.06590	0.8
201.10301	3.5
208.38660	0.7
211.08736	1.5
213.10257	2.0
223.08710	1.1
225.10336	3.1
227.11794	1.7
229.09865	4.0
229.13416	1.6
231.60915	0.8
235.08685	1.7
237.10300	2.8
239.11856	5.8
241.09753	1.2
245.12910	1.2
249.10350	2.4
250.07440	1.2
251.08162	3.1
251.11868	2.4
252.08986	1.2
253.09834	4.5
255.11397	2.8
257.09363	1.1
257.12930	1.6
263.08179	2.8
264.08942	2.2
265.09689	4.3
267.11383	4.6
273.12466	1.2
276.09006	1.3
277.09842	5.1
278.06970	2.3
278.10526	4.6
279.08084	4.8
279.11035	5.1
280.11716	1.0
289.12152	1.0
291.08023	1.7
291.11176	1.6
292.08423	2.4
293.09314	8.8
294.10071	3.4
295.10736	4.9
297.12384	1.0
301.11963	4.6
305.09216	2.7
306.09845	1.8
307.10812	4.9
309.12320	1.7
314.12509	1.9
319.12936	11.3
321.08777	2.4
337.08344	1.2
337.11948	1.8
339.09839	3.3
343.13446	0.9
344.14145	1.0
344.18311	0.8
349.14047	2.6
350.14200	2.1
351.09744	2.7
372.13312	1.5
374.15100	2.5
385.14197	1.0
386.15298	1.0
391.15546	0.9
392.16135	1.8
398.14871	1.2
403.14841	1.1
410.14847	1.1
416.15915	1.6
418.13846	1.3
424.16528	1.1
425.17365	1.4
428.15759	0.9
432.15579	1.0
434.16843	1.0
446.17343	1.8
468.15695	1.5
475.17078	1.2
486.16354	2.6
487.16675	0.9
594.23907	0.8
620.22760	2.9
622.24023	0.8
638.23438	8.1
639.24432	1.0
648.22064	4.6
649.22382	1.0
666.22906	16.4
667.23126	2.3
680.25458	1.5
698.26440	0.9
701.27972	1.6
712.27319	6.0
713.26990	1.4
744.73053	0.8
745.26935	2.2
746.27997	1.0
761.29974	2.9
764.29205	1.1
777.29504	5.4
787.28088	1.1
805.29346	46.6
806.29755	8.0
809.32611	1.5
819.30450	2.7
837.31952	100.0
838.32324	17.2
851.33594	1.5
869.34601	28.6
870.34595	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	867.496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	8.7
64.19158	0.8
65.70784	0.7
69.03455	1.3
71.01379	16.4
71.53286	0.8
72.99303	1.4
73.02952	2.2
73.81054	0.7
73.88833	0.8
80.96503	1.2
82.21170	0.7
83.01390	2.1
83.49285	0.8
85.02954	4.1
87.00901	4.5
89.02445	15.4
95.01379	1.2
97.02950	2.8
101.02437	12.4
113.02450	8.2
116.92817	0.9
119.03521	3.9
121.03036	0.7
125.02450	8.2
125.09741	0.9
127.11286	2.0
130.02248	0.7
143.03500	2.5
161.04549	3.5
171.10265	100.0
172.10631	3.2
179.05626	4.2
217.07100	0.9
221.06734	0.9
235.08160	7.3
243.13312	0.7
255.23285	75.0
256.23724	3.8
259.08325	1.5
287.07813	3.0
305.08826	3.2
323.09747	1.4
379.12439	24.7
380.12567	0.9
389.06451	0.7
397.13474	46.5
398.13834	2.7
415.14520	6.3
463.08224	0.8
551.23389	4.7
569.24451	2.6
629.63593	0.9
635.36237	4.9
653.37268	7.2
655.33673	0.9
708.66150	0.7
855.05566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
68.45511	0.1
69.67519	0.8
80.63636	0.1
80.96521	0.2
98.20627	0.3
134.16682	0.2
142.43840	0.2
151.05006	0.1
151.69313	0.2
169.30179	0.2
173.76689	0.1
335.45361	0.2
361.99957	0.1
387.65732	0.2
787.67938	0.2
868.51190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	16.9
61.98830	12.2
71.01376	1.3
71.53672	0.3
80.96539	0.5
85.02967	0.6
85.56304	0.2
87.00884	1.1
88.00404	1.2
88.98806	100.0
89.02441	4.0
89.99140	0.7
96.96021	1.6
97.02988	0.3
99.00889	0.5
99.04496	0.4
99.72009	0.3
114.05645	0.3
115.04006	0.7
116.92828	0.3
121.02930	0.3
125.78072	0.3
147.04507	0.6
154.99890	0.3
161.20213	0.3
162.80907	0.3
173.00877	0.5
201.11301	0.4
209.11818	0.8
271.02365	0.3
439.30746	0.3
637.91595	0.3
655.21576	0.3
869.40369	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	1.6
69.03453	0.3
70.49336	0.6
71.01381	8.2
72.99306	1.5
73.02956	1.3
75.00880	0.2
80.02671	1.4
81.03448	1.9
83.01382	1.1
83.05029	5.2
84.02169	1.7
85.02935	2.0
87.00868	3.8
89.02442	7.0
93.24664	0.2
95.01371	0.5
95.05017	0.9
96.96008	0.6
97.02923	1.2
97.06663	0.2
99.00872	0.6
99.04523	0.3
101.02442	5.9
102.05572	0.2
107.05101	0.2
109.06570	0.3
111.00853	0.8
111.04521	0.3
113.02454	3.3
116.38660	0.2
119.03523	1.8
125.02437	2.9
125.06067	0.5
128.03549	0.4
129.01880	0.3
131.03491	0.4
135.08139	0.7
139.04022	0.4
143.03510	0.8
143.04552	0.3
145.92352	0.2
147.11830	0.3
149.02483	0.2
161.04555	1.7
163.11278	4.2
165.12819	3.1
165.70671	0.2
169.12404	0.3
171.10272	0.9
179.05637	2.7
181.12305	0.7
191.10756	1.2
199.06104	0.2
201.11385	0.3
209.11813	100.0
210.08984	0.3
210.12141	4.4
211.13510	0.3
216.42867	0.2
217.07172	0.3
221.06699	0.8
225.11308	0.5
226.44687	0.2
227.12874	15.7
228.13187	0.6
235.08208	2.5
251.12840	0.5
253.09294	0.4
265.09271	0.3
265.14352	0.3
277.14432	0.2
287.07559	1.0
305.08774	1.1
306.07626	0.7
307.07962	0.3
323.09872	0.7
379.12485	3.6
380.12247	0.3
397.13483	21.5
398.13882	1.3
415.14578	4.8
416.15042	0.3
429.26416	0.6
471.27539	3.4
472.27997	0.3
473.25381	0.9
487.27069	0.4
515.26428	6.2
516.26904	0.7
529.27875	1.6
557.27460	2.5
558.27441	0.3
589.24890	1.7
607.25940	3.2
680.35754	0.3
799.37817	0.6
817.39288	0.3
867.37390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	2.7
62.85612	0.5
66.04102	0.5
71.01389	5.2
72.99303	5.0
73.02941	1.0
78.55047	0.5
79.76940	0.5
83.05044	0.9
84.02158	2.0
85.02952	6.4
85.67664	0.4
87.00877	22.0
87.04506	0.9
89.02445	0.9
96.96021	0.6
98.20613	1.0
99.04510	1.0
101.02446	1.5
103.04010	22.0
111.00884	1.1
172.39149	0.5
180.45074	0.5
207.10341	0.5
209.11806	1.0
211.13480	0.6
229.12181	0.5
247.08153	1.4
265.09167	1.0
274.98297	0.5
277.14365	1.7
278.15152	3.0
359.18259	0.6
381.24393	0.9
383.22495	0.6
385.63623	0.5
411.25290	1.4
429.26346	1.3
430.26910	0.6
455.24377	1.5
471.27408	1.0
471.82343	0.5
473.25421	5.4
487.27301	2.7
497.25256	1.2
505.19128	0.6
515.26520	17.0
516.26965	1.8
529.28009	4.9
530.28674	0.8
539.26477	0.6
557.27527	16.2
558.27826	2.1
721.34790	2.3
763.35413	100.0
764.35791	15.5
781.36133	2.3
823.37524	11.5
824.38177	2.6
830.80322	0.7
835.39679	0.9
867.37909	1.0
888.06433	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
70.71954	1.6
71.01012	1.5
71.01382	25.3
72.99290	2.0
73.02936	2.2
77.84212	1.0
82.02971	1.5
83.01389	2.1
85.02944	8.8
87.00881	1.9
89.02446	18.0
94.02983	11.7
95.01398	1.9
96.96005	1.3
101.02440	13.4
103.03996	4.1
106.06654	4.4
108.04525	1.4
113.02446	7.4
119.03504	5.5
122.06093	4.9
124.04053	1.5
134.06123	34.5
135.06450	1.1
136.04028	3.2
138.05591	3.6
150.05528	2.7
152.07153	7.5
161.04485	1.4
165.05611	1.1
168.06648	1.7
186.05544	2.1
205.12434	1.2
223.08803	1.4
225.10344	2.0
235.08746	3.4
237.10316	5.6
247.08469	1.7
249.06758	1.9
249.10349	2.9
250.07440	5.4
251.08109	1.5
251.11942	1.0
252.08954	1.2
262.07565	1.6
263.08295	7.1
264.08835	2.2
265.09726	19.4
266.10202	1.9
267.11444	1.6
273.12442	1.1
275.08435	1.1
276.08948	2.8
277.09763	7.9
278.06937	7.1
278.10028	1.7
279.11197	2.4
291.07721	4.1
292.08548	1.1
293.09305	60.1
294.09573	3.8
305.09314	17.3
306.09799	2.5
307.10519	4.3
314.12448	2.8
325.12097	1.1
328.11044	0.9
337.08057	1.5
341.10352	1.0
355.12747	1.1
368.14111	1.3
372.13550	1.8
384.13232	2.3
396.13531	1.5
398.14996	1.0
402.14493	1.5
412.16614	2.7
414.14633	2.5
422.22647	0.9
426.14624	2.0
432.15555	7.6
437.16565	8.4
439.15448	1.4
440.16040	5.7
444.15533	3.7
456.15756	1.0
472.18762	1.2
576.23456	1.2
579.22058	1.9
590.21423	1.5
592.23004	4.2
619.21100	1.7
620.22552	15.8
621.22693	1.8
634.23834	2.2
636.21906	1.2
646.20807	2.2
664.21375	15.6
665.21741	1.8
666.26587	2.2
679.23657	6.2
680.24139	2.3
696.23901	5.7
710.25903	4.4
711.26379	6.3
731.29565	1.6
741.27539	1.7
759.28809	42.9
759.42603	2.0
760.29150	6.0
791.31427	19.3
792.31250	4.0
803.27655	7.7
823.26019	4.4
824.26788	1.7
835.30426	100.0
836.30743	15.6
867.33087	48.3
868.33167	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	865.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	14.6
69.27029	33.1
69.27435	10.5
71.01373	33.8
72.01714	6.8
73.02944	11.6
83.05058	5.7
85.02939	5.6
87.00864	7.7
89.02457	20.0
98.20153	21.9
99.00880	6.7
101.02456	20.3
105.84207	5.7
113.02464	15.0
125.02428	10.4
142.18282	4.8
161.04517	6.2
163.11279	6.8
171.10254	75.0
179.05568	10.2
209.11830	100.0
210.12152	44.1
211.12392	10.9
227.12880	10.0
228.13237	5.5
235.08197	11.9
255.23285	41.5
256.23663	27.4
257.23862	8.7
277.21750	45.9
287.07471	7.9
379.12381	19.9
397.13553	62.5
398.13687	22.6
399.14038	11.3
415.14566	14.1
456.99405	6.3
569.25415	6.6
637.50793	6.3
865.43085	47.9
866.43640	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	867.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
68.69034	0.2
69.34930	0.8
69.35355	0.8
70.05746	0.2
71.01380	1.5
72.99299	0.3
73.02948	0.4
76.96473	0.2
83.01379	0.3
85.02943	0.7
89.02446	0.7
94.02988	0.3
101.02451	0.9
106.06596	0.3
108.04574	0.5
113.02469	0.5
113.09774	0.2
122.06139	0.5
123.03244	0.3
129.54652	0.2
132.04524	0.2
134.06111	0.9
136.04018	0.6
148.03955	0.4
150.05580	0.7
158.02454	0.3
161.04613	0.4
179.07065	0.5
186.09256	0.5
190.05115	1.6
200.10793	0.6
213.06705	1.1
214.07477	2.3
214.09001	0.8
215.08217	0.7
216.08957	0.7
226.11128	0.4
227.08307	0.4
227.11870	2.5
228.08780	0.5
229.09767	6.2
230.10432	0.3
231.07753	0.6
231.11446	0.6
232.84436	0.2
237.10214	0.3
239.08315	0.6
243.11372	12.3
244.08517	2.4
244.12126	5.5
245.09280	2.8
251.08250	0.3
255.11391	5.1
257.09311	29.5
258.09659	1.3
259.10867	11.7
260.11566	2.8
265.09695	0.3
271.10727	1.1
272.11661	17.4
273.12360	3.0
275.10370	14.1
276.10785	0.6
277.09583	0.3
289.11957	0.4
290.12704	13.5
291.13052	0.5
293.09329	1.1
303.09845	0.9
304.10620	0.5
316.10626	6.4
317.10870	0.3
331.12964	3.3
334.11710	8.6
335.12137	0.4
337.08078	0.3
337.11847	0.6
349.14029	100.0
350.14307	5.9
371.20605	0.4
372.13251	0.4
413.21844	0.4
414.22220	0.6
433.24112	0.3
517.18237	6.6
518.18475	0.7
540.20099	0.5
555.30096	0.2
759.28528	1.5
760.29596	0.4
791.31110	1.5
807.31458	0.4
823.26215	0.3
835.29407	1.0
867.32886	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	865.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87868	5.3
61.98835	25.2
71.01387	42.6
71.52934	9.6
73.02938	6.8
85.02960	9.1
87.00883	11.2
89.02454	26.3
98.20126	5.3
101.02448	23.0
102.02793	7.6
107.93256	5.9
113.02455	16.0
119.03490	6.9
125.02441	10.8
171.10304	62.3
185.49957	5.7
207.10391	7.0
209.11853	100.0
210.12186	44.6
211.12466	8.3
227.12859	12.3
255.23297	44.8
256.23657	32.0
257.23862	9.9
277.21729	59.3
298.04691	5.5
304.44669	5.6
350.75037	8.7
379.12506	21.1
380.12469	6.9
397.13434	78.2
398.13831	20.0
399.14084	13.3
415.14514	6.4
551.23071	8.9
569.24670	9.7
713.15826	7.0
761.19781	6.4
865.43262	50.9
866.43396	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	864.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73154	0.1
61.98832	100.0
62.98534	0.2
71.01383	0.2
71.53059	0.1
77.95629	0.1
78.16479	0.1
78.37463	0.1
83.95824	0.1
85.02984	0.1
88.98837	0.1
96.96014	0.5
97.93565	0.1
98.96990	0.1
99.00890	0.3
101.02477	0.3
116.96291	0.1
138.99840	0.1
147.04547	0.4
160.31537	0.1
189.77914	0.1
209.11882	0.2
224.10835	0.1
228.94127	0.1
242.83195	0.1
268.33472	0.1
334.46378	0.1
370.91849	0.1
438.10629	0.1
501.82108	0.1
772.23059	0.3
803.64984	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67721	0.9
71.01382	8.6
72.99294	0.8
73.02953	3.2
81.03431	0.9
83.01389	2.8
85.02951	6.4
86.10057	0.4
87.00895	2.6
89.02433	2.9
95.01364	0.8
99.00877	4.1
99.04521	24.5
100.04814	0.6
101.02444	14.1
103.04022	1.2
109.02934	3.9
111.00878	0.6
113.02454	4.0
115.00375	9.8
117.05547	1.3
119.03475	1.2
121.02959	0.6
125.02451	9.3
125.16233	0.4
127.00340	1.4
133.02954	4.1
135.04539	1.9
139.00359	1.1
139.01321	0.4
143.03464	1.6
145.02931	0.8
147.04515	1.8
148.05276	1.4
149.04912	1.0
149.06087	17.0
150.06375	0.7
153.01868	0.6
157.01472	0.4
159.02966	0.9
159.04544	1.0
161.02448	18.3
161.04565	2.5
161.06030	1.2
162.02824	0.5
163.03992	1.5
165.05516	1.1
174.03191	1.2
175.02464	16.0
175.03995	6.6
177.01921	7.2
177.05563	0.9
179.03487	1.1
185.06067	0.6
187.04031	3.2
188.04770	0.9
189.05540	2.9
190.02693	0.6
191.03450	1.1
193.05057	3.7
201.05646	0.9
203.03535	2.1
205.05005	1.5
206.02158	1.0
213.05510	1.1
215.03499	2.8
219.02956	6.0
221.10297	11.2
225.05534	0.5
229.04968	0.8
231.03052	1.0
231.06606	1.3
232.03862	0.6
233.04544	8.8
237.04039	12.1
238.04100	0.5
245.04527	1.0
247.05865	0.7
249.07584	1.7
257.04504	0.6
263.11349	4.8
265.09366	0.9
275.05640	3.4
277.03494	4.7
293.06775	4.3
303.14532	2.1
307.10287	0.6
319.04721	2.3
335.07880	0.6
337.05548	28.5
338.05759	1.1
365.14499	33.3
366.14844	1.6
455.11792	2.1
499.10950	100.0
500.11310	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	863.531
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	2.3
65.06824	0.5
66.91461	0.6
68.10498	0.6
69.03443	0.6
71.01013	1.0
71.01380	14.8
71.01971	0.6
71.05009	2.0
71.52818	0.8
73.02944	0.7
77.31664	0.5
78.95921	0.7
81.03433	0.6
83.05022	1.6
85.02940	0.7
89.02436	1.6
91.25106	0.7
96.95997	0.7
97.02982	0.8
97.30399	0.5
99.04519	34.8
101.02447	1.2
109.06551	2.2
111.08107	0.6
113.02458	1.2
123.26790	0.6
125.02447	0.7
125.09719	0.7
141.48419	0.5
163.11285	1.8
171.10281	2.2
179.10690	0.7
182.19724	0.6
183.13857	0.6
187.09808	1.3
201.11176	0.9
204.76813	0.6
207.10211	6.0
209.11848	8.0
211.13390	5.7
221.15436	1.2
223.09805	1.1
223.17027	2.6
225.11383	3.1
227.12871	1.8
231.21169	1.0
235.08258	0.8
235.17026	18.2
236.17441	1.1
237.18575	1.4
253.09341	1.1
255.23232	3.4
275.20139	21.6
276.20447	1.5
293.21213	100.0
294.21545	6.2
361.21500	0.9
379.12537	0.8
397.13556	2.2
427.24734	2.3
445.25867	3.5
509.29010	8.4
510.29465	1.2
527.30157	16.9
528.30206	1.4
560.26129	0.6
569.31158	6.6
570.31567	1.0
728.24292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	2.0
69.03452	1.2
69.51427	2.4
71.01382	17.9
72.01723	0.5
72.99308	1.0
73.02953	2.1
80.02674	1.1
81.03461	1.8
83.01394	1.4
83.05029	5.4
84.02203	0.7
85.02950	4.9
87.00876	4.7
89.02446	15.1
91.04021	0.4
94.73911	0.3
95.01403	1.4
95.05023	0.7
97.02946	2.9
98.20706	0.4
99.00874	0.7
101.02447	13.0
109.02943	0.5
111.04526	0.5
113.02457	6.1
113.03191	0.7
114.02797	0.5
114.20894	0.4
115.03983	0.6
119.03503	4.0
121.02988	0.4
125.02449	6.9
125.06056	0.7
127.04109	0.4
131.03506	0.8
133.05086	0.4
135.08150	1.0
139.03979	0.4
141.01907	0.4
143.03491	2.3
149.04576	0.5
151.62361	0.4
161.04573	3.2
163.11317	4.3
165.12787	3.2
179.05603	3.9
181.12390	0.8
182.02628	0.4
191.10794	1.1
199.06111	0.5
209.11821	100.0
210.12151	4.9
214.85905	0.4
217.07190	1.0
217.26662	0.4
219.04773	0.4
221.06662	1.1
227.12874	12.7
228.13187	0.7
230.03616	0.4
235.08231	4.9
250.49063	0.4
253.09354	0.8
255.23286	57.3
256.23621	3.4
269.24796	0.5
287.07623	2.1
305.08578	1.8
323.09799	1.1
379.12424	10.7
397.13483	43.1
398.13776	2.5
415.14581	9.2
416.14780	0.6
589.24255	0.6
607.26154	1.6
635.36743	0.8
637.61670	0.4
653.37531	1.9
863.49384	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	1.7
64.07619	0.4
65.93121	0.4
67.66589	0.5
68.99551	1.1
69.03446	0.9
71.01383	13.8
71.52689	0.6
72.99303	1.3
73.02950	2.5
74.33083	0.5
75.00883	0.5
81.03458	1.9
83.01382	1.7
83.05024	4.1
85.02962	3.6
87.00883	2.9
89.02444	14.0
95.01388	1.4
95.05011	0.6
97.02946	2.6
99.00857	1.2
101.01797	1.0
101.02446	13.5
113.02449	6.3
119.03501	3.8
125.02462	5.9
125.06116	0.5
127.03149	0.5
131.03468	1.1
139.04016	0.5
140.37236	0.4
141.01721	2.2
143.03519	2.6
149.04555	0.5
161.04535	2.8
163.11292	2.9
165.12827	2.2
179.03485	0.7
179.05603	3.7
181.12352	0.8
191.10721	1.1
207.10274	0.6
209.11821	100.0
210.12140	3.2
217.07195	0.6
221.06676	2.0
224.50121	0.5
225.11418	0.8
227.12894	18.2
228.13243	0.5
235.08240	6.1
245.06729	0.6
253.09296	0.6
255.23286	53.0
256.23602	3.4
287.07755	2.3
305.08804	2.0
323.09821	0.9
379.07977	0.9
379.12421	10.0
397.13510	42.4
398.13959	3.2
401.25711	0.5
415.14551	7.2
416.15179	0.7
420.30249	0.5
512.98505	0.5
542.78766	0.5
607.26172	2.1
635.36877	0.8
653.37653	2.4
863.49585	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	861.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98523	0.1
63.99259	0.1
68.99570	0.1
71.01386	0.2
72.99265	0.1
74.99064	0.1
80.91683	0.5
85.03009	0.1
88.98787	0.1
94.98090	0.1
96.96033	0.1
99.04479	0.1
101.02497	0.1
111.00890	0.2
115.00343	0.1
121.02962	0.2
133.01410	0.2
147.04561	0.1
161.64694	0.1
209.11810	0.1
211.13397	0.2
220.08774	0.1
300.85193	0.1
345.69894	0.1
607.35406	0.1
783.37585	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	863.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	3.3
71.01380	0.2
75.23670	0.1
75.62692	0.1
75.66682	0.1
78.95904	3.9
79.95734	4.5
85.05634	0.1
88.98808	0.6
94.98087	0.3
96.96011	100.0
96.96899	5.2
97.95943	0.2
98.02447	0.1
121.03016	0.1
147.04517	0.1
202.94029	0.1
211.13368	0.2
357.30417	0.1
599.12341	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	863.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	1.1
63.96226	1.4
70.10339	1.0
71.01369	8.0
72.77327	0.9
73.02934	2.5
78.95895	3.6
78.98577	6.8
79.95733	15.7
80.96514	80.1
82.96083	3.4
85.02936	3.8
87.00851	2.9
92.29945	1.0
94.98080	17.8
96.96011	1.4
98.19841	1.6
101.02428	1.2
106.98104	2.9
110.80993	0.9
117.44286	1.0
122.18607	1.0
122.97564	3.2
125.02448	4.1
125.81847	0.9
134.97594	4.7
136.99136	1.2
148.99117	5.3
150.78592	1.0
152.98615	7.1
154.98204	1.3
164.98647	10.2
183.01392	1.1
184.21686	1.0
206.99637	3.4
219.67163	1.0
225.00737	18.5
226.00983	1.1
255.23419	1.5
280.12509	1.0
291.28397	0.9
292.65958	1.0
311.16901	1.4
312.17291	1.1
340.74274	1.1
401.43848	1.1
447.41965	1.1
561.81970	1.1
607.24384	1.4
648.24152	1.0
765.40814	1.1
809.81165	1.4
812.82001	1.1
863.48120	100.0
864.48615	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	861.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99313	4.0
61.98828	27.4
69.03457	5.3
71.01383	24.7
72.99300	9.2
79.94943	3.4
85.02965	13.7
87.00886	8.6
88.98809	12.5
93.03438	3.1
96.96024	4.7
97.02944	5.0
98.90891	3.8
99.00881	76.2
99.01537	3.9
101.02454	84.7
103.00346	4.3
105.98096	3.5
106.36867	3.5
107.05032	5.0
109.02963	4.3
111.00862	5.7
111.04536	9.5
113.02425	4.5
119.05029	4.0
121.02946	6.0
123.04518	5.2
135.04585	5.1
136.99088	3.7
137.00119	54.2
139.03926	6.8
147.04536	100.0
149.06120	6.3
165.05530	4.5
186.16258	3.7
193.05009	7.7
194.05882	4.6
209.11838	4.0
210.06950	4.3
211.07253	6.8
225.09129	10.5
283.63565	3.4
309.20651	3.6
446.42255	3.5
449.53979	3.8
491.19016	4.0
497.19189	4.3
501.17255	3.5
505.68948	3.7
575.21552	6.4
603.21301	6.5
611.18951	16.9
639.18958	6.4
705.25513	20.3
733.24896	5.0
765.26959	4.6
769.22736	62.5
770.22894	11.4
861.40601	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	859.464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	5.4
66.23021	0.4
71.01392	0.4
71.52135	0.5
83.05036	1.4
83.44254	0.4
87.78173	0.4
92.32154	0.5
95.05034	0.5
99.04520	22.0
100.04877	0.5
106.69787	0.4
119.05009	0.4
120.77283	0.4
125.02377	0.6
138.39194	0.4
148.34380	0.5
200.02667	0.5
201.11307	2.8
205.15976	8.5
206.16231	0.4
209.11827	0.5
221.11864	0.6
227.10796	4.3
233.19034	4.1
277.18076	100.0
278.18445	5.4
337.14474	0.6
351.16098	0.8
377.17548	0.7
395.18640	1.6
397.13260	0.6
403.19223	0.4
409.20160	1.1
437.19797	2.8
463.21606	0.7
504.91684	0.5
537.25012	4.9
538.24738	0.6
563.26373	1.4
581.27631	1.0
593.04309	0.5
804.83612	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99815	0.7
69.53918	1.0
69.54344	0.8
71.01382	3.7
72.99303	1.1
73.02928	0.5
75.00874	1.7
78.23772	0.3
81.56010	0.2
83.01382	3.4
84.02160	2.3
85.02950	100.0
86.03268	1.6
87.00876	1.0
88.47583	0.3
89.02437	0.6
89.03909	0.3
98.04541	0.2
98.20350	0.9
99.00844	0.4
101.02462	0.9
103.00397	1.6
105.54598	0.3
110.67394	0.3
111.00878	5.6
115.00383	0.8
123.17349	0.3
123.43304	0.3
129.01945	9.1
133.01398	0.6
134.03754	3.2
135.04497	1.2
145.01390	0.3
147.02992	12.5
149.06084	0.6
160.01569	0.3
163.04016	0.3
173.00932	1.9
179.03516	0.4
189.05577	0.3
191.01970	64.9
192.02390	1.4
193.05037	1.9
205.03468	2.3
209.03029	13.0
210.03276	0.3
223.04573	10.9
275.05563	0.3
367.06583	1.6
385.07745	29.0
386.08069	1.7
413.10876	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98525	0.1
75.21017	0.1
81.13720	0.1
92.36991	0.1
98.67794	0.1
116.92879	0.1
136.87505	0.1
147.04561	0.3
148.04837	0.1
201.11340	0.6
212.30632	0.1
219.05154	0.1
277.21790	0.1
343.08148	0.1
397.13861	0.2
447.23822	0.1
635.23877	0.1
680.37750	0.1
718.28998	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	858.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
65.57945	0.1
70.58485	0.4
71.01395	0.3
72.32686	0.1
89.02457	0.2
93.88274	0.1
101.02460	0.2
107.03670	0.1
113.02454	0.2
119.03497	0.1
133.90620	0.1
134.03737	0.2
134.04709	1.4
171.10286	0.2
181.08887	0.1
190.84001	0.1
199.09816	0.4
201.11353	0.3
209.11836	0.2
227.13000	0.2
277.21777	0.8
352.51678	0.1
363.51816	0.1
397.13580	0.4
398.13974	0.1
588.83710	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	857.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	32.6
69.03452	3.0
69.20908	2.1
69.21313	8.5
71.01385	12.9
72.99310	10.2
73.02914	1.3
73.83102	1.0
78.97282	1.1
79.05521	1.3
81.03448	2.6
83.05028	5.2
85.02960	11.1
87.00871	4.7
91.01907	1.5
93.03476	6.3
95.01378	1.8
95.05027	5.4
96.96001	1.8
97.02935	4.1
98.19929	2.4
99.00884	24.0
99.04530	2.5
101.02460	3.8
105.01920	2.8
107.05009	2.2
108.02205	2.6
109.02940	4.1
111.04523	12.8
113.02433	3.7
115.05544	2.3
117.03433	2.4
117.07079	1.2
119.05006	2.7
121.02970	9.3
121.06584	4.0
122.03697	1.4
123.00831	1.4
123.04536	12.2
125.02449	5.2
127.04009	4.5
132.02155	7.8
133.02956	1.5
134.03754	26.0
135.04465	4.0
136.01625	1.4
137.02438	1.2
137.06079	5.1
139.04013	3.4
143.05057	1.5
145.02959	2.7
146.03664	1.8
147.04523	12.1
148.01666	1.5
149.02382	1.7
149.06099	9.2
150.03255	2.3
151.04021	4.4
153.05501	1.4
155.03529	1.2
155.08698	2.1
157.06465	1.5
158.03716	3.0
159.04523	4.9
160.01666	30.8
161.02328	2.5
161.06056	4.6
163.03984	1.9
165.05516	4.0
166.89278	1.1
167.03581	5.6
169.10194	1.1
171.10254	1.3
173.06065	2.1
175.02560	2.1
175.04018	34.9
177.05507	1.8
178.02664	3.7
187.03973	2.9
187.11249	2.5
193.05045	33.5
194.05646	1.6
203.07123	1.5
207.10031	1.3
209.11786	1.6
210.06857	91.7
211.06058	5.8
222.06853	2.0
222.29771	1.3
225.09204	85.1
226.09521	4.9
231.10152	1.4
234.06883	2.5
235.07602	19.4
236.08441	8.9
237.09119	3.1
238.10043	2.9
251.10632	1.3
261.05350	1.1
262.06226	1.9
263.07111	7.6
264.07901	14.1
279.10245	9.6
290.05661	2.5
290.13303	1.2
297.11313	2.9
305.08096	3.8
308.06787	3.9
323.09338	9.2
341.10361	11.8
376.23352	1.2
411.14346	1.9
429.15369	3.2
447.16696	1.4
447.32770	1.2
455.16977	2.2
473.18088	4.2
489.43784	1.5
491.18875	2.2
613.20319	2.5
649.22675	1.5
753.25372	20.4
754.25732	4.5
779.27258	7.5
797.28235	4.4
825.27667	100.0
826.27863	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99296	2.4
61.98824	1.5
68.99817	1.5
69.03466	1.0
69.17065	3.8
69.17480	2.5
71.01382	22.6
72.99307	16.8
75.00864	5.8
81.03440	1.3
83.05032	1.4
85.02950	2.7
87.00893	1.7
88.98803	12.2
89.02446	1.3
89.03967	2.1
91.00360	1.2
93.03446	2.6
94.35884	0.6
95.05019	1.7
97.02937	1.6
98.19939	1.3
99.00880	83.7
100.01223	1.2
101.02454	1.2
103.00372	4.7
106.04210	1.4
107.05048	1.3
109.02946	2.1
111.04496	3.1
113.02463	0.8
117.03458	5.9
119.05029	3.7
121.02958	5.2
121.06582	2.5
123.04499	2.8
125.02423	1.4
127.04007	1.1
130.48981	0.7
132.02171	20.1
133.02960	4.5
134.03743	72.8
135.04378	2.6
136.01663	2.7
136.09424	0.8
137.02448	3.7
137.06075	1.5
139.03983	2.6
147.04514	15.4
147.05659	1.0
148.04922	1.1
148.97881	0.7
149.02367	0.9
149.06079	9.8
150.03177	1.3
151.04073	1.6
153.05591	2.9
159.04535	0.7
159.16275	0.7
160.01656	83.9
161.02159	4.4
161.06079	0.7
165.05566	2.5
167.03484	1.5
173.06120	1.1
175.03998	100.0
176.04362	3.8
177.05530	1.6
178.02713	7.1
179.03468	1.3
192.04318	2.2
193.05049	66.2
194.05550	3.9
199.07748	0.9
202.88083	0.7
203.07176	0.9
210.06841	8.5
211.06158	2.0
225.09209	10.9
247.85699	0.7
253.15912	0.7
279.10324	1.1
279.51840	0.7
297.71024	0.6
301.78583	0.7
336.32181	0.7
341.10263	0.7
404.44022	0.6
430.06091	0.7
437.16409	0.8
455.17154	1.3
473.18280	1.4
491.19305	1.0
499.16556	0.7
585.21136	3.1
605.20996	2.3
613.20587	5.5
623.21039	1.7
631.22687	1.1
649.23010	10.1
650.24060	1.4
667.24023	8.0
668.24683	1.5
735.26288	1.0
753.25342	11.2
754.26001	2.4
757.29047	1.7
779.27539	5.4
780.27539	1.4
797.28052	5.3
798.28247	1.4
825.27643	21.1
826.28033	5.3
857.30292	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03976	0.5
68.40982	0.4
68.99819	1.2
69.03459	0.8
71.01384	16.9
71.01782	0.9
72.99312	2.0
75.00873	4.2
75.73374	0.4
79.05529	0.6
81.03462	0.9
83.05042	0.7
85.02934	2.5
87.00884	1.1
87.97491	0.5
89.03976	1.5
93.03472	1.7
95.01404	0.5
95.05050	2.1
95.09939	0.4
97.02938	1.1
98.20712	0.6
99.00878	61.8
99.04538	0.6
100.01226	1.0
103.00359	2.6
103.05562	0.8
104.02751	0.6
105.03468	1.0
107.05035	1.4
108.02261	0.7
109.02950	1.2
111.04488	3.2
113.02460	0.8
117.03465	4.5
119.05030	2.4
121.02970	4.0
121.06587	2.7
123.04502	3.0
125.02455	1.4
130.06238	0.4
132.02170	24.7
133.02982	6.0
133.06578	0.6
134.03741	63.2
135.04575	2.3
136.01640	2.3
137.02451	2.8
137.06087	0.8
139.04007	1.6
147.04518	12.4
148.04767	0.5
149.06100	7.5
150.03214	0.7
151.03986	1.9
153.05562	1.8
159.04501	0.8
160.01654	88.5
161.02048	3.3
161.06073	0.7
163.04033	0.5
165.05556	1.8
173.06021	0.6
175.03998	100.0
176.04361	3.7
177.05550	1.2
178.02725	4.0
179.03481	0.6
187.11206	1.1
191.07011	0.6
192.04295	2.0
193.05046	52.1
194.05524	3.2
196.23438	0.5
207.06627	0.8
210.06856	1.8
211.06053	1.2
225.09251	1.3
263.07132	0.6
383.47598	0.5
384.83255	0.5
437.15891	0.6
455.16779	1.1
491.18866	1.3
491.78442	0.5
502.43085	0.4
585.21326	2.3
603.21814	0.6
605.20380	1.0
613.20728	2.8
623.21228	1.3
649.22729	7.0
650.22675	1.3
667.23956	6.4
668.24347	1.4
753.25513	3.9
757.27673	0.8
779.26904	1.8
780.27155	0.8
797.28058	12.2
798.28461	2.5
825.27631	21.9
826.27936	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	857.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	0.8
69.03442	1.1
71.01383	12.2
72.99303	1.7
73.02919	0.6
74.03407	0.4
75.00876	3.1
79.05523	0.7
81.03461	0.5
83.05016	1.5
85.02939	2.6
87.00851	0.8
88.98796	0.4
91.01887	1.3
93.03476	2.5
95.05032	1.4
97.02954	1.5
99.00881	34.8
103.00384	2.9
103.05531	0.4
107.05038	1.7
107.31828	0.4
108.02164	0.8
109.02943	1.2
111.04528	2.7
113.02476	0.6
115.00382	0.6
115.05521	1.0
117.03458	1.2
119.05026	1.1
121.02956	5.6
121.06589	1.5
123.04526	4.3
125.02415	0.8
127.04041	0.5
129.01961	2.6
131.05006	0.8
132.02158	0.6
133.02965	0.9
133.06583	0.7
134.03745	7.9
135.04497	0.9
137.02464	0.8
137.06062	0.8
139.03998	0.9
145.02968	1.0
146.03685	0.8
147.04515	6.8
149.02441	0.7
149.06073	4.3
150.03209	1.0
151.04019	2.1
155.08675	0.9
157.06607	0.6
158.03723	1.7
159.04500	2.8
160.01669	3.9
161.06053	1.5
163.03975	1.5
165.05553	1.2
167.03511	1.1
173.06039	0.8
174.03464	0.4
175.04002	3.5
175.07547	0.4
176.04776	1.0
177.05586	1.9
182.07414	0.6
183.08144	0.6
183.30281	0.4
185.06152	0.5
187.04051	0.6
193.05061	8.5
194.05801	2.8
195.06410	0.7
195.08096	0.6
203.07159	1.0
209.06021	1.2
210.06857	100.0
211.07634	5.1
211.11314	0.5
211.65942	0.4
213.09184	0.6
222.06789	0.5
223.07428	0.6
225.09207	97.1
226.09560	5.2
229.35590	0.5
234.06847	0.8
235.07629	8.1
236.08374	4.1
237.09090	1.3
238.09988	1.8
249.09177	0.6
251.10800	1.0
251.53429	0.4
253.12259	0.6
262.06378	0.5
263.07077	3.1
264.07880	6.7
279.10251	4.8
290.05774	0.6
297.11343	1.9
305.08221	0.7
308.07013	1.3
319.33322	0.4
323.09296	3.8
341.10248	8.2
342.10419	0.6
373.16519	0.4
384.87723	0.5
385.57275	0.4
429.15192	0.7
437.15836	0.5
455.17004	0.5
473.18130	4.3
491.19272	0.8
583.02771	0.5
735.24591	1.7
753.25220	2.2
761.26654	1.1
779.26953	1.5
780.28070	0.7
797.27441	1.9
825.27625	12.2
825.42059	0.8
826.27869	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26198	0.2
67.01836	0.3
68.99742	0.3
71.01281	5.9
71.01720	0.8
71.53461	0.3
72.99205	0.9
73.02840	0.8
73.87782	0.2
75.00817	0.4
79.30042	0.2
81.15382	0.2
83.01279	2.2
85.02842	4.3
85.03393	0.4
87.00764	3.8
87.01339	0.4
89.02332	2.3
93.03374	0.3
95.01279	0.5
95.04917	0.2
97.02872	0.3
99.00757	4.1
99.01456	0.3
99.04346	0.2
101.02324	2.2
108.02087	0.3
109.02951	5.0
109.03613	0.3
111.00743	1.0
111.04475	0.2
111.89590	0.2
113.02452	2.6
113.12422	0.2
115.00373	11.7
115.01130	0.7
116.00640	0.3
118.62373	0.2
119.03393	0.5
119.04873	0.3
120.88841	0.2
121.02813	0.7
121.06499	0.5
123.00798	0.4
123.04398	0.5
124.01539	0.3
125.02288	0.8
127.00371	2.0
129.01778	0.8
131.03384	0.6
133.02954	4.3
135.04549	2.4
137.02319	0.3
139.00240	0.8
139.03947	0.4
142.45888	0.2
143.03401	0.2
143.04919	0.5
143.10811	0.2
145.02844	0.5
147.02831	0.3
147.04530	2.2
148.05324	1.2
149.02252	0.5
149.06081	19.3
149.07228	0.8
150.03043	0.2
150.06245	0.6
151.03830	0.5
153.01807	0.3
155.03391	0.3
157.01285	0.7
159.02855	0.7
159.04358	0.9
161.02444	20.5
161.03809	0.6
161.04333	1.1
161.05952	1.3
162.02777	1.0
163.03995	1.8
165.01747	0.5
165.05568	1.2
171.04381	0.8
173.02203	0.3
173.05881	0.5
174.03218	1.4
175.02315	20.8
175.03879	7.3
176.02606	0.5
176.04341	0.5
177.01921	7.4
177.05498	1.1
178.02229	0.2
178.75360	0.2
179.03511	0.9
179.05484	0.4
183.02846	0.4
185.05879	0.7
187.04001	3.7
187.05641	0.4
187.07565	0.2
188.04778	1.1
189.01796	0.3
189.05577	3.0
190.02480	0.6
191.03514	1.2
191.07024	0.5
193.05049	4.5
195.06480	0.7
201.05499	1.0
202.02527	0.4
203.03494	2.3
203.06956	0.7
204.04041	0.6
205.05077	1.4
206.02168	1.3
213.05536	1.1
214.02554	0.3
215.03494	3.4
215.06859	0.3
216.03990	0.4
217.05099	1.0
219.02988	8.6
219.06361	0.8
220.03326	0.3
221.04370	0.5
223.04492	0.5
227.01813	0.2
229.04904	0.4
231.02783	0.7
231.06595	1.3
232.03645	0.6
233.04550	10.1
234.04755	0.7
235.05949	0.5
237.04031	14.6
238.04214	0.6
240.04460	0.2
245.04420	1.4
247.06094	1.1
249.07620	1.4
257.04401	0.8
263.05450	0.3
265.09161	0.4
273.07584	0.4
275.02493	0.2
275.05588	3.2
277.03531	5.1
278.03650	0.5
283.45914	0.2
293.06659	3.9
294.06805	0.3
319.04550	2.2
335.07651	0.5
335.12335	0.5
337.05511	27.9
338.05936	1.9
339.05823	0.3
347.16156	0.2
351.10739	0.3
387.19968	0.2
391.27731	0.2
416.38937	0.2
421.13290	0.4
435.15051	1.0
447.22177	0.4
455.11905	2.2
499.10916	100.0
500.11279	9.8
501.11353	1.3
609.61786	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01715	0.6
61.01806	0.3
61.98831	100.0
63.44471	0.1
69.03462	0.2
69.15296	0.4
69.15719	1.2
71.01395	1.2
72.99321	0.2
73.16180	0.1
75.00905	0.1
75.68016	0.2
80.50314	0.1
88.78325	0.1
88.98837	0.4
99.00885	1.9
99.04537	0.5
101.02480	0.2
102.05610	0.3
111.04530	0.3
111.17842	0.2
114.05656	0.2
117.03481	0.1
121.02973	0.7
132.02182	0.5
133.01489	0.3
134.03740	2.0
147.04559	0.5
160.01643	1.7
160.02724	0.2
168.97482	0.1
175.04024	2.1
193.05000	1.7
207.10350	0.3
210.06863	0.9
225.09253	1.0
225.11279	0.3
328.17761	0.2
333.48236	0.2
369.38000	0.2
377.80130	0.1
397.13333	0.2
539.27063	0.3
540.26611	0.7
541.27167	1.0
542.27252	1.0
649.22754	0.2
650.31073	0.2
667.24011	0.3
753.26251	0.5
797.28271	0.2
825.27722	1.0
856.47839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
67.48270	0.2
68.99857	0.2
69.03455	9.0
71.01376	0.3
71.54403	0.3
79.01880	5.8
79.95710	1.6
80.96487	0.2
81.03487	0.3
85.02950	0.6
89.02481	0.2
95.01385	1.8
96.96022	0.8
97.02952	5.3
101.02429	0.2
103.46465	0.2
107.01387	11.1
108.02264	0.3
113.02422	0.3
115.42303	0.2
116.95209	0.2
122.06125	0.3
123.00880	2.8
125.02444	8.0
126.02818	0.2
129.57962	0.2
135.00882	25.6
136.01218	0.7
138.02008	0.7
151.00307	1.1
167.03467	2.2
186.97083	1.8
191.01822	0.2
214.96550	100.0
215.96844	3.0
242.18716	0.2
246.99153	95.7
247.99455	3.9
273.12296	0.2
283.42276	0.2
302.06451	0.2
304.77441	0.2
335.12589	0.3
336.12643	0.3
337.12811	0.3
378.63858	0.2
772.09497	0.2
857.33075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99309	18.3
61.73031	0.2
61.98829	2.8
68.13377	0.2
71.01366	0.6
72.99335	0.2
73.02948	0.2
76.58979	0.2
81.36133	0.2
87.00880	1.8
88.00411	2.2
88.98808	100.0
89.02444	11.0
89.99142	0.9
98.20644	0.7
99.00883	0.5
101.02448	4.7
121.02974	0.6
129.00238	0.2
136.78984	0.2
140.29836	0.2
141.20213	0.2
147.04504	0.9
190.92130	0.3
209.11803	0.2
221.00702	0.2
234.49040	0.2
261.00220	0.2
300.95758	1.0
346.80600	0.2
461.19904	0.2
576.11548	0.2
688.05280	0.2
720.17883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26019	11.7
69.26344	2.7
69.57820	1.2
71.01394	6.1
71.68829	1.3
79.95729	6.5
82.02975	2.4
85.02953	5.2
87.00861	6.3
89.02440	3.8
94.02964	1.3
96.96010	75.9
101.02436	3.4
103.04042	1.4
106.06604	1.6
108.04585	2.7
110.06074	1.7
113.02488	1.3
121.05308	2.0
122.06100	12.0
129.01933	5.1
133.51070	1.2
134.06126	19.3
135.06926	2.6
136.07664	6.6
138.05557	2.4
140.07184	21.3
144.04584	1.7
146.06133	1.6
147.02997	1.3
149.04813	7.9
150.05589	5.5
152.07152	3.4
160.04012	1.7
161.02408	1.2
161.04816	4.1
162.05605	13.0
163.06311	2.1
164.03532	5.6
164.07121	11.4
166.05081	4.7
167.05856	3.6
171.49182	1.4
172.04021	1.6
174.05670	2.4
175.02487	1.3
177.04111	1.3
193.04984	1.6
204.06662	4.1
210.07928	1.3
211.08711	3.0
212.05905	5.2
212.09351	1.6
215.08221	1.8
224.09502	2.7
225.06630	3.1
225.10284	3.2
227.11705	1.8
229.09755	4.1
230.12064	1.5
236.09537	1.3
237.10324	4.0
238.07288	2.9
239.08257	8.1
240.08963	3.6
241.09595	1.6
243.11322	1.8
251.08289	4.0
251.11847	1.9
252.09070	5.3
252.12671	2.5
253.06183	8.2
253.09801	15.1
254.10497	1.6
255.02893	1.8
255.11307	7.2
257.09283	6.1
259.10815	2.1
261.12451	9.7
265.06097	4.5
265.09497	3.0
266.06708	6.9
267.07864	10.4
267.11212	11.4
268.08508	5.8
268.12073	5.8
269.12924	2.4
270.10300	2.2
271.02484	2.2
273.12457	4.7
277.09909	1.7
279.07742	6.5
280.08505	23.7
281.09299	19.1
283.10706	5.6
284.07895	1.9
285.09390	2.3
285.12473	16.1
286.12854	1.5
292.46896	1.4
293.09186	2.1
295.10864	74.4
296.11514	20.6
297.12469	9.8
298.09735	1.8
299.10358	2.4
300.02808	5.4
301.11813	1.7
302.12637	2.6
303.13480	55.0
304.13724	3.9
305.10626	100.0
306.10999	6.1
311.10330	2.0
313.12057	2.9
327.13480	19.9
328.10327	2.1
328.13873	2.6
335.12524	3.9
336.12704	3.0
337.12912	2.5
339.09750	13.0
340.10376	3.1
341.11246	2.8
371.12427	18.3
373.13605	1.4
390.14395	2.0
404.16263	3.2
406.14020	2.1
420.15640	3.4
434.12952	1.7
435.17871	2.1
438.16742	2.0
448.14835	1.8
463.08752	2.5
463.16821	1.3
465.18823	11.5
479.16769	1.3
480.18130	1.4
483.19431	7.1
505.10068	5.8
553.62817	1.4
557.24359	2.1
601.22998	21.2
602.23199	1.7
633.25671	20.1
634.25220	3.2
698.25311	1.9
761.30481	3.0
769.21295	1.4
805.29376	35.1
806.29620	6.3
823.30402	64.9
824.30554	9.7
837.32184	18.2
838.31927	2.5
855.32837	23.2
856.32660	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	855.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02384	0.4
65.00322	0.8
67.45802	0.3
67.53856	0.3
69.66010	1.9
71.01380	1.2
73.02942	0.8
77.35054	0.3
83.01385	0.8
85.02935	0.9
85.13326	0.3
89.02415	0.6
91.23154	0.3
99.04522	0.6
101.02422	0.7
103.03992	1.0
107.01386	1.4
108.02203	0.8
109.02918	0.8
113.02476	0.5
121.02933	1.3
125.02423	0.4
131.64294	0.3
134.06108	0.7
135.00948	0.8
136.07715	0.5
148.01657	1.1
151.00363	7.1
151.05785	0.4
163.00363	1.5
165.01939	0.3
170.21677	0.3
175.03836	0.4
178.98415	0.4
178.99844	3.2
199.03992	0.4
203.46217	0.4
211.03996	0.5
216.04161	0.6
226.02724	0.6
227.03488	1.4
229.04926	0.5
230.11905	0.5
235.72423	0.3
243.02979	4.7
245.04460	0.8
254.02208	1.3
254.52356	0.3
255.02969	15.1
256.03351	0.9
258.09790	0.4
271.02472	28.4
272.02933	2.5
273.03778	0.5
273.12286	0.7
283.02570	0.7
299.01917	1.1
299.48163	0.3
300.02734	64.5
301.03476	30.4
302.03989	1.8
307.10574	0.7
335.12296	1.8
335.82968	0.3
336.12643	1.7
337.12964	0.8
343.97037	0.3
361.60022	0.3
391.15601	0.7
449.20209	0.7
463.08801	100.0
464.09119	8.1
615.39020	0.3
666.23120	3.5
698.25873	3.1
699.25446	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01698	2.0
61.98832	15.6
63.76883	0.6
70.07065	0.5
71.01379	1.4
71.54044	1.0
78.32844	0.6
79.12136	0.5
79.95699	0.8
80.51664	0.6
80.67828	0.5
80.96510	0.7
87.00880	0.9
88.98832	0.9
96.95980	0.8
98.20538	0.8
99.04521	16.9
116.92872	1.4
121.02935	1.1
129.01898	1.2
144.05794	0.6
147.08211	0.7
157.06609	0.8
159.08115	3.3
161.50539	0.7
182.24135	0.7
225.09212	0.7
257.18420	0.7
335.12106	0.8
373.20212	10.1
374.20477	1.2
397.14276	0.7
397.19916	1.5
415.21051	3.2
443.22745	0.7
455.24426	6.6
457.22287	31.7
458.22659	3.4
479.24258	1.4
489.24860	11.2
490.25119	1.3
497.25436	5.9
539.26501	100.0
540.26788	11.6
544.08130	0.6
651.29913	1.5
701.31812	2.3
853.40143	0.8
885.97900	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01694	1.8
61.98829	12.9
62.99051	0.5
71.01333	0.4
71.52231	0.8
72.92190	0.4
73.02968	0.7
82.49943	0.4
87.00858	2.1
88.00364	0.5
96.95983	0.9
99.04515	20.8
100.04862	0.4
109.35236	0.5
121.02937	1.0
129.01913	0.5
143.94736	0.5
147.63324	0.5
159.08105	1.3
225.09160	0.5
311.16531	0.6
355.18985	0.7
373.20184	6.1
415.21118	0.6
439.21582	1.2
445.18335	0.5
455.24414	6.6
456.24747	0.7
457.22409	4.0
458.22986	0.8
479.24542	1.0
489.25113	0.6
497.25391	4.3
498.26196	0.7
539.26489	100.0
540.18372	0.7
540.26788	13.5
659.31213	1.0
701.31653	1.1
715.31219	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.53698	0.2
69.36521	0.2
71.01389	0.4
71.52225	0.2
71.52629	0.3
82.95450	0.4
88.98813	0.7
89.02471	0.2
96.96017	0.7
99.04533	0.8
116.92887	0.6
121.02957	0.4
143.99138	1.8
155.26436	0.2
171.10268	0.3
209.11896	0.4
283.67847	0.3
289.18054	0.5
309.20834	0.3
327.21848	0.3
487.19656	0.3
651.33557	0.3
743.93439	0.3
854.44916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.22
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49069	0.2
63.13906	0.2
65.03963	0.6
71.01385	2.0
71.53831	0.3
72.99323	0.4
73.02944	1.1
75.00908	0.3
81.48821	0.2
83.01398	0.7
84.37835	0.2
85.02945	1.9
87.00883	0.8
89.02435	0.7
90.98592	0.4
93.03462	100.0
94.03806	2.3
96.96014	0.7
99.00890	0.3
99.04522	0.4
101.02438	1.8
113.02467	0.7
115.00350	0.5
119.03436	0.3
120.99724	0.5
121.02953	0.3
123.00906	0.2
125.21559	0.2
129.01942	1.0
133.02968	0.3
134.03702	1.2
138.05627	0.4
147.03026	1.1
148.05304	2.7
150.05624	0.2
160.01633	0.5
161.02531	1.2
161.04591	0.4
162.03255	2.1
163.07582	0.3
164.04796	0.5
165.05511	0.2
175.02501	0.5
175.04031	0.9
176.01192	0.3
177.05565	3.8
179.00209	0.8
191.01984	0.4
191.07196	0.4
193.05017	0.4
194.02243	0.6
195.06570	0.4
203.03665	0.5
203.05595	1.2
204.04260	0.4
207.06624	1.5
216.04272	0.3
217.05045	0.3
219.06657	0.3
223.06178	0.9
229.05081	0.4
232.03749	0.3
233.08151	0.3
235.06180	0.3
245.08243	0.3
247.06122	2.6
249.07715	0.6
251.05611	12.9
252.05959	0.5
259.06070	0.2
263.09262	0.4
271.06143	0.7
285.07736	0.5
286.08078	0.3
289.07150	1.1
291.05103	4.3
297.09830	5.7
297.13043	0.5
303.08997	0.5
307.08142	1.2
335.12354	0.5
349.09158	1.2
351.07217	7.3
352.07489	0.8
441.11935	0.4
469.13614	1.3
513.12445	5.0
514.13049	0.3
752.69226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	0.6
71.30163	0.5
74.03763	0.2
80.54923	0.2
81.03473	0.3
82.02996	0.3
83.05025	0.6
85.02952	0.4
89.02444	0.9
94.02983	2.4
98.02474	0.5
101.02415	0.5
107.03722	0.3
108.04558	2.8
110.06114	0.3
112.04040	0.2
112.61959	0.2
119.03510	0.2
120.04555	0.7
121.05317	0.2
122.06126	10.1
123.03211	0.2
123.06577	0.2
124.04034	1.4
132.04546	0.5
134.06116	2.1
135.06874	0.4
136.04062	4.2
136.07684	10.2
137.04807	0.4
137.08032	0.2
138.05609	2.5
147.06963	0.3
148.04019	0.6
148.07634	0.2
150.05603	9.8
152.07179	1.8
158.02464	0.7
158.06165	0.3
159.11742	0.6
161.04762	0.3
163.08736	0.4
169.10146	0.3
172.07726	0.4
173.07195	0.3
174.09224	0.6
175.05188	0.3
176.03539	0.8
185.09778	0.4
186.04292	0.3
186.09204	3.0
187.09717	0.3
187.11293	0.5
188.10765	0.5
190.05064	2.5
199.05084	0.3
200.10837	0.5
201.06488	2.0
201.08237	0.5
202.07117	1.5
202.08780	1.3
202.12370	2.3
209.35471	0.2
212.10806	1.2
213.06648	0.7
214.07428	0.8
215.08142	2.6
216.08937	0.6
217.09813	0.4
228.10306	3.5
229.09814	13.7
230.12027	8.7
231.11594	1.0
239.08180	0.4
240.09018	1.0
241.09940	0.4
243.07689	0.3
244.08530	0.7
245.09294	6.0
245.12901	0.9
255.11394	4.0
256.11914	0.3
257.09290	7.4
258.09979	1.5
259.10715	0.5
265.09445	0.4
273.12445	23.3
274.10345	0.5
274.12756	0.9
275.10367	1.9
290.12595	0.4
291.13477	0.5
299.10269	0.8
317.11411	14.6
318.11716	0.8
327.13779	0.3
334.11703	0.7
335.12476	100.0
336.12860	5.3
337.11911	0.4
349.03058	0.2
405.58896	0.3
459.73676	0.2
463.18542	0.5
517.18231	10.9
518.18469	1.4
609.14850	0.3
717.28217	0.3
749.30566	0.8
761.26068	0.3
793.29547	0.9
821.28857	0.4
833.46661	0.3
853.31543	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	2.6
68.99559	0.5
69.03439	0.6
71.01384	18.2
71.53776	0.4
72.99307	1.1
73.02947	13.8
75.00851	0.4
80.96539	0.3
81.03480	0.3
82.76928	0.2
83.01390	4.0
83.05015	0.9
85.02953	4.2
87.00887	1.3
89.01933	0.5
89.02449	6.4
95.01392	1.2
96.95992	1.0
97.02931	0.7
99.00874	1.0
99.04504	0.5
101.02449	14.5
103.04025	0.5
108.07128	0.2
111.00895	0.5
112.98560	0.4
113.01722	0.4
113.02458	5.7
114.02712	0.3
115.00311	0.3
119.03518	2.1
125.02428	1.0
131.03517	0.8
143.03505	0.8
146.04570	0.3
149.04529	0.6
155.03444	0.3
161.04539	1.6
179.05634	0.3
183.13864	0.8
195.17519	0.9
197.67595	0.3
201.11313	0.7
209.11806	1.3
211.13461	0.2
221.19048	0.5
225.42606	0.3
227.12817	0.5
229.09753	0.4
233.19231	0.3
255.11406	0.3
273.12360	0.3
313.27429	1.1
317.11505	0.4
335.12488	2.1
339.25488	1.3
357.26291	0.5
397.13336	0.4
501.30524	0.8
519.31732	2.5
520.31824	0.4
525.30481	0.3
543.31653	2.8
561.32776	100.0
562.33179	12.2
562.40179	0.2
585.32928	3.3
586.33087	0.4
603.33832	2.1
627.34039	0.3
719.32214	0.3
749.32922	0.5
765.39703	0.4
809.40656	1.0
835.39130	0.5
853.41711	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	0.3
71.01376	1.5
73.02963	0.6
81.03448	0.5
83.01383	0.4
83.05003	0.9
85.02941	1.4
89.02431	0.5
93.03480	0.4
94.02979	2.1
95.05039	0.4
96.96011	0.7
98.02492	0.5
99.04549	0.4
101.02444	0.6
103.04014	0.5
107.05042	0.3
108.04538	2.2
113.02391	0.5
120.04537	0.8
120.99647	0.3
122.05241	0.5
122.06124	9.0
123.06459	0.5
124.04028	1.3
125.02415	0.4
129.01941	0.6
130.02972	0.3
132.04512	0.8
133.04091	0.4
134.06087	2.0
135.00929	0.7
135.06888	0.4
136.04044	4.1
136.07674	8.7
137.04756	0.4
137.08031	0.3
138.05614	2.1
146.06087	0.4
148.04109	0.6
150.05592	7.9
151.05911	0.4
152.07159	1.7
158.02477	0.4
159.11754	0.4
163.08788	0.4
165.01900	0.3
167.03481	0.9
173.07103	0.4
173.76495	0.3
174.09201	0.5
175.04988	0.5
176.03522	0.8
185.09720	0.5
186.04364	0.5
186.09264	3.4
187.11313	0.4
188.10796	0.6
189.06688	0.3
190.05096	2.8
191.01981	0.4
200.10867	0.5
201.06509	2.1
202.07213	1.8
202.08994	0.6
202.12355	1.8
212.10823	1.7
213.08171	0.4
214.07365	1.0
215.08163	2.9
216.08931	0.5
227.11676	0.3
228.10306	3.1
229.09793	14.3
230.12012	8.3
231.11229	1.4
239.07858	0.3
240.09024	0.8
241.09793	0.4
243.07622	0.4
243.11574	0.3
244.08461	1.2
244.12207	0.4
245.09288	5.0
245.12949	0.7
246.11339	0.6
255.02835	0.4
255.11343	3.9
257.09302	7.1
258.09955	1.3
259.10803	0.9
265.09149	0.9
271.02426	0.8
273.12439	21.8
274.10458	0.7
274.13013	0.6
275.10315	2.5
290.12677	0.6
291.13358	0.3
299.10388	0.7
300.02582	1.8
301.03467	1.1
302.03793	0.3
303.75900	0.3
304.32501	0.4
305.10834	0.3
314.12402	0.6
317.11398	14.2
318.11761	0.9
334.11594	0.9
335.12460	100.0
336.12784	6.5
337.11868	0.6
349.13995	1.0
350.14896	0.3
449.19946	0.4
459.18323	1.4
460.19183	0.5
463.08817	2.6
464.08926	0.5
517.18225	10.7
518.18610	1.2
626.23517	0.4
717.28345	0.5
749.30475	0.7
761.27197	0.7
793.29291	1.2
821.28558	0.6
845.31183	0.4
853.31470	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.63596	0.1
61.98829	100.0
62.98539	0.1
68.43698	0.1
71.01394	0.2
71.52595	0.1
87.00900	0.1
88.98827	0.1
89.02424	0.1
99.00863	0.1
116.92872	0.2
121.02961	0.2
141.91125	0.1
147.04573	0.2
171.10233	0.2
191.40860	0.1
197.11708	0.1
209.11732	0.4
210.12311	0.1
225.11342	0.1
227.12883	0.1
230.47618	0.1
309.20898	0.1
397.13571	0.1
643.40002	0.1
775.15186	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
65.57709	0.6
71.01008	1.1
71.01382	14.9
71.53942	0.6
73.02944	7.8
78.67799	0.5
81.03448	1.3
83.01382	5.7
83.05016	0.6
85.02946	15.8
87.00879	1.4
89.02441	4.6
95.01397	1.6
96.96004	0.8
97.02935	1.6
98.75114	0.6
99.00870	1.8
99.04515	71.2
100.04836	1.6
101.02436	33.4
102.02724	0.8
103.04015	4.7
103.40488	0.6
106.82809	0.5
111.00868	1.1
111.04501	0.8
113.02442	7.8
117.05567	3.8
119.03476	1.7
119.05070	1.2
123.04517	0.8
124.52052	0.6
125.02442	27.9
129.01933	1.6
134.03696	1.2
135.04482	1.0
138.06868	0.7
143.03484	5.1
147.02960	2.2
148.05281	3.3
148.79074	0.6
149.02426	0.7
149.06056	0.7
150.03195	2.0
151.07671	1.0
153.09212	3.7
159.02963	1.2
160.01537	0.7
161.02501	1.5
161.04553	6.5
163.03960	1.7
163.07664	3.2
165.05521	2.4
165.09247	1.6
175.03993	1.8
179.03493	0.7
183.45627	0.6
188.04837	0.6
191.01956	6.2
191.03571	0.7
191.03873	0.9
191.05568	7.5
191.07161	0.7
193.04945	0.7
195.06586	1.1
203.03468	0.6
209.02927	0.6
221.08310	1.0
221.10220	27.8
222.10542	0.6
229.04927	0.7
233.08185	0.9
239.12845	2.9
245.08229	2.0
263.09106	1.7
263.11423	12.3
264.11951	0.7
265.09406	3.2
277.07318	0.8
279.14444	1.0
284.34018	0.6
289.07336	1.7
303.14417	6.4
307.07965	1.2
321.15500	1.8
353.04984	0.9
353.08978	1.9
365.14484	100.0
366.14996	5.6
409.14648	0.6
421.13416	1.3
425.14566	1.6
427.12317	2.3
443.19180	2.4
469.13455	10.5
470.13321	0.8
487.14438	1.2
499.10910	0.8
501.11716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.4
61.98822	2.7
64.79086	0.9
70.34996	2.9
70.35338	1.1
71.01383	11.0
72.99294	1.1
73.02937	2.3
75.42386	0.9
81.35013	0.9
83.01393	1.3
85.02964	3.0
87.00861	1.8
89.02445	9.1
97.02956	1.8
97.06572	3.8
101.02448	7.7
113.02433	4.1
113.40760	0.9
116.92878	1.3
117.69436	0.9
119.03488	2.7
125.02428	1.1
151.11292	11.1
161.04555	1.1
169.12341	36.4
170.12630	1.2
182.32724	1.1
195.10258	1.5
213.11276	3.5
221.06648	2.2
235.08289	1.2
254.12650	1.0
255.23273	41.4
256.23642	2.8
356.03101	1.1
397.13315	1.5
415.15353	1.2
849.48523	100.0
850.33002	1.8
850.48840	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	849.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
61.98829	100.0
62.98528	0.5
69.03470	0.3
71.01378	0.8
72.99321	1.1
79.95733	0.6
80.96513	1.1
85.02946	0.5
94.98112	0.4
96.16014	0.3
96.96031	1.0
99.00875	1.6
101.02441	0.4
113.02480	0.4
121.03004	0.6
147.04524	14.5
148.04881	0.4
171.10309	0.6
180.52673	0.4
198.07855	0.3
207.10222	0.5
209.11804	1.6
211.06068	0.5
211.13380	0.4
225.00777	0.5
228.96207	0.4
229.37375	0.4
271.19940	0.4
550.63617	0.4
559.22089	0.4
633.23608	0.4
763.27881	0.7
781.28949	2.0
782.29541	0.4
849.39301	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	847.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.8
60.73739	0.8
61.98829	46.3
64.26529	1.0
69.03442	0.9
69.49527	6.2
71.01379	7.2
72.99304	4.9
73.02923	1.3
81.03447	1.2
83.05014	2.9
85.02941	6.5
87.00863	2.4
88.98814	0.9
93.03433	3.4
95.05021	2.4
97.02930	2.3
97.06606	0.8
99.00887	11.6
99.04507	1.9
101.02418	1.6
103.05515	1.3
107.05029	2.0
109.02953	2.8
109.06570	1.3
111.04507	6.7
113.02429	1.2
117.76976	1.0
119.05015	3.0
120.25080	1.0
121.02966	5.5
121.06581	2.0
122.03671	1.1
123.03758	1.0
123.04495	5.6
125.02450	4.6
125.03214	0.9
127.03987	3.5
135.04526	1.3
139.04002	2.2
147.04521	100.0
148.04866	3.3
149.06055	4.2
150.03191	1.9
151.04012	1.5
159.04485	1.0
165.05528	2.6
167.03494	1.3
175.03937	1.3
177.05518	1.2
193.05054	6.3
194.05818	1.5
207.10207	1.4
209.11827	8.3
210.12189	1.7
211.06088	4.0
225.11272	1.3
227.12915	1.3
253.09213	1.1
260.16510	1.2
277.21667	4.1
307.19159	1.2
453.15521	2.0
473.17776	2.1
491.19437	1.0
544.27563	1.1
559.19653	2.5
585.21350	2.3
603.22253	2.5
621.22888	2.2
649.22821	1.6
707.25861	1.7
715.25873	1.1
733.26257	4.0
751.27844	2.4
779.27100	51.8
780.26880	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	846.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	80.0
61.91623	2.3
61.98830	11.3
62.78094	2.2
69.03505	2.7
69.30884	4.0
69.31281	17.1
71.01393	8.8
72.99328	2.8
83.05006	4.3
85.02983	5.6
87.00847	5.3
87.04545	2.7
88.98788	3.2
89.02436	3.6
96.96019	15.4
100.31576	2.6
101.02443	3.1
113.10838	2.1
140.84856	2.2
151.11266	4.2
170.53755	2.5
172.99205	2.1
209.11798	3.6
279.15985	3.3
302.29181	2.4
385.27411	7.5
429.26459	4.0
473.29059	95.8
474.29214	11.7
475.27225	4.5
517.28040	32.4
557.88959	2.6
559.29126	13.1
577.30157	100.0
578.30298	12.2
619.30823	4.1
621.28937	12.1
679.33490	20.1
723.32166	8.3
739.35492	26.0
740.35516	7.1
783.34619	20.2
846.35736	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	847.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.1
61.98830	45.4
70.02753	4.6
71.01382	7.3
72.99301	1.9
75.00883	1.0
81.03445	1.2
83.86036	1.0
85.02955	1.5
87.00864	1.4
88.98764	1.4
94.98082	1.2
98.19925	1.1
99.00900	5.3
103.05526	1.2
109.06604	1.4
111.04546	3.3
111.11366	0.9
119.05010	1.4
121.02909	1.4
123.04512	1.8
127.81605	1.0
127.84613	1.0
139.03984	1.4
147.04521	100.0
148.04893	2.1
149.06032	1.3
163.11185	1.2
167.07217	1.4
171.10281	1.1
193.05029	4.3
194.05727	1.0
207.10266	2.4
209.11848	8.4
211.06078	3.2
225.11377	2.2
253.09181	1.1
270.00903	1.0
289.18134	1.4
473.17816	1.3
491.19046	1.4
512.65387	1.3
539.56458	1.3
559.19757	3.5
585.21167	2.7
603.22504	3.6
621.23035	1.3
732.63812	1.0
733.14288	1.1
733.26947	4.7
751.26654	2.2
779.27576	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	845.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98829	100.0
62.98520	0.2
75.00860	0.2
80.96564	0.1
86.45611	0.1
129.10344	0.3
138.97319	0.1
139.08755	0.2
165.10355	0.1
197.16580	0.1
197.49571	0.1
200.14023	0.2
207.15031	0.3
225.16156	0.1
236.48564	0.1
242.11891	0.1
242.18776	0.3
295.21561	0.1
312.17294	0.1
313.22736	0.1
337.26224	0.2
340.75455	0.1
558.19354	0.1
782.51862	5.1
783.51959	1.1
814.55597	0.1
845.48505	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.1
59.32879	0.1
61.70766	0.1
61.98829	100.0
62.98528	0.1
63.47592	0.1
68.99559	0.2
71.01380	0.2
71.54429	0.2
72.99327	0.2
96.96038	0.1
99.00947	0.1
119.03526	0.3
133.01436	0.1
133.83717	0.1
147.04555	0.2
182.20107	0.1
317.17410	0.1
322.83691	0.1
571.70026	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.3
61.98829	6.0
67.51676	0.7
68.06823	0.7
69.03466	1.0
71.01381	11.4
71.52312	0.6
71.52698	0.8
72.99327	0.9
73.02935	2.2
83.01393	1.1
85.02946	2.0
87.00883	2.8
89.02454	9.2
95.01382	0.9
95.05009	1.5
97.02953	1.6
97.06593	12.7
101.02443	9.0
113.02432	3.0
119.03504	2.1
123.08160	7.5
125.02425	2.3
125.09722	56.7
126.10076	1.2
143.10689	0.7
159.35558	0.8
161.04581	1.2
169.08685	0.9
174.43683	0.8
179.05463	1.0
187.09752	30.1
188.10123	1.1
209.11858	1.8
221.06583	1.8
235.08095	1.1
277.21716	26.4
278.21878	1.8
397.13452	3.3
411.20663	0.9
415.14569	1.2
416.49789	0.9
546.36493	0.9
567.23071	1.6
585.24286	2.1
587.70520	0.9
845.45367	100.0
846.45709	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.3
60.31720	0.4
61.23234	0.4
61.98829	100.0
68.63543	0.4
69.03462	0.6
71.01379	7.6
71.52100	0.4
72.99290	0.7
73.02950	1.5
75.00880	0.7
78.95934	0.4
83.01383	0.6
85.02942	2.0
87.00880	2.4
88.98798	0.5
89.02438	6.8
95.05044	0.8
97.02946	1.2
97.06583	7.6
97.07204	0.5
101.02438	5.3
107.63329	0.4
113.02445	2.3
116.92883	0.5
117.12914	0.5
119.03491	1.4
123.08177	4.0
125.02452	1.4
125.09723	54.3
126.10062	1.2
129.10326	0.7
140.30396	0.5
143.10788	1.2
154.06378	0.4
154.86441	0.5
161.04501	1.0
169.08699	1.4
171.10284	1.0
179.05623	0.7
187.09750	39.1
188.10092	1.5
207.10420	0.5
207.15050	0.6
209.11803	1.6
221.06644	2.8
225.11205	0.5
235.08252	0.9
248.24457	0.5
255.23175	0.5
270.53497	0.5
277.21695	6.3
295.73380	0.5
315.84189	0.5
397.13544	0.6
515.35120	0.5
560.84772	0.5
567.22662	1.4
585.23962	3.0
651.03308	0.5
782.51898	5.3
783.52112	0.9
845.45325	60.1
846.45654	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	845.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	17.5
69.54372	1.1
71.01382	15.5
72.99303	1.0
73.02943	2.7
75.05200	0.2
82.69162	0.2
83.01384	2.0
83.05015	0.3
83.10528	0.2
85.02946	5.5
86.00071	0.2
87.00868	0.7
89.02445	10.8
95.01379	1.3
99.00877	1.0
101.02441	12.6
102.02775	0.2
111.04500	0.6
113.02449	5.8
116.31996	0.2
119.03506	4.4
119.04979	0.2
121.06608	0.3
123.08113	0.3
125.02408	0.3
129.01904	0.2
131.03511	0.3
134.03693	0.2
143.03551	0.3
149.04433	0.2
158.25851	0.2
159.02963	0.2
161.04543	0.8
171.11719	0.4
177.05624	0.3
179.05605	0.2
180.04102	0.2
189.12805	0.8
195.06596	1.3
219.13855	0.5
237.14917	0.7
326.10168	0.2
420.00299	0.3
443.19186	100.0
444.13361	0.4
444.19525	9.1
508.58551	0.2
602.90210	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.0
61.98820	2.4
62.96092	1.0
69.18420	10.7
70.32900	1.0
71.01386	3.6
85.02926	2.4
93.03457	3.2
96.96011	4.3
98.20681	1.8
101.02432	2.2
113.02470	1.2
119.03513	1.1
119.05032	3.1
121.02935	4.6
122.03741	14.1
123.04496	4.9
133.02995	1.4
134.03760	2.6
135.04460	1.3
136.01627	2.5
146.03604	1.5
147.04494	5.2
148.05276	2.0
149.02429	23.4
149.06027	2.1
150.03220	84.6
151.04030	12.7
160.01636	1.2
160.05252	1.0
161.02457	2.1
164.04843	6.8
165.05560	73.6
166.05910	2.0
176.04814	1.3
177.05363	1.3
179.07144	6.9
180.04333	5.8
181.05070	6.2
183.89671	1.0
190.06274	1.9
191.03510	6.8
191.07060	3.6
193.05029	3.8
194.05821	1.8
195.04819	2.0
195.06610	32.7
206.05864	1.9
221.06026	1.3
234.05222	1.9
237.05641	1.9
238.04715	3.5
238.06660	2.0
249.05446	1.9
250.06203	1.6
251.07019	2.6
253.04999	2.0
253.08687	1.8
254.05795	2.0
264.04199	1.7
265.05084	2.3
266.05746	2.4
267.02982	2.6
267.06659	1.0
267.10159	2.5
269.08179	2.2
278.05798	3.1
279.06595	4.4
281.04523	4.3
281.08328	1.1
282.05328	6.7
283.05823	1.8
289.11398	3.4
292.07285	1.9
293.08173	1.8
294.05298	4.2
294.08771	2.2
295.06348	2.5
295.09741	5.0
296.06842	3.4
296.10147	1.8
297.07593	12.4
298.08188	2.4
308.07001	2.0
309.04190	1.9
309.07587	6.1
309.11066	1.9
311.09229	3.2
312.09982	6.4
313.10522	1.7
322.04816	5.1
323.05505	3.3
324.06317	5.6
324.09738	1.9
325.03476	1.8
325.07120	3.0
327.12402	4.8
331.12091	1.5
333.10928	1.8
336.06339	4.1
337.07211	18.2
338.07883	5.1
339.08685	7.9
340.05786	3.0
341.06555	4.8
351.08649	2.4
352.09427	10.1
353.06543	20.0
353.10287	2.0
354.07104	3.5
355.08218	8.2
356.09033	12.2
367.08725	1.1
368.08984	13.1
369.09503	3.2
370.10504	8.3
370.73691	1.1
371.11325	34.7
372.11618	3.0
383.11328	67.3
384.11780	5.4
399.10632	2.9
400.11429	1.4
401.12396	4.2
425.12274	2.3
460.15253	2.3
475.17813	3.6
519.16638	6.0
523.20483	2.5
531.16461	3.2
549.17639	30.8
550.18054	3.6
553.20972	9.1
567.18738	6.3
579.18524	3.7
580.19006	1.6
597.19727	100.0
598.20129	13.7
618.37103	1.1
637.32495	1.5
639.20575	2.3
801.25891	14.6
802.26819	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	844.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.7
61.98834	11.1
68.21068	1.0
69.20940	3.5
69.21368	6.0
69.69620	0.9
71.01387	13.9
72.99306	6.6
73.02919	2.8
73.48338	1.0
83.01364	2.0
84.02171	13.1
85.02950	13.0
87.00877	25.6
89.02434	3.0
95.01382	5.2
96.96012	2.8
97.02942	1.2
98.20663	2.2
99.04522	1.2
101.02439	5.9
110.00061	2.1
112.01647	1.8
113.01719	1.6
113.02451	19.8
135.03036	0.9
143.03488	2.3
151.83087	1.0
152.29375	1.1
156.15575	0.9
161.04579	7.3
161.13298	1.1
181.12367	1.2
187.11327	1.8
207.10233	1.3
209.11813	1.1
225.11292	1.5
229.12183	1.1
277.14340	3.3
278.15158	5.0
410.53473	1.1
429.17447	1.1
429.26700	1.6
443.24405	1.4
455.24182	1.2
469.25751	2.4
471.27438	11.9
473.25317	9.3
487.26968	13.4
497.25180	1.5
506.96100	1.2
515.26477	52.7
516.26855	7.1
529.28082	27.9
530.28101	3.5
557.27533	100.0
558.27917	12.7
587.28882	9.1
597.23596	2.0
617.29669	15.7
618.30078	2.4
622.41028	1.2
664.31140	1.2
677.31934	3.2
696.21509	1.2
721.30670	8.0
722.31097	1.8
781.32794	6.0
844.37250	5.0
845.38531	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	18.0
61.98833	8.0
71.01385	8.7
72.99304	7.4
73.02954	1.7
84.02166	12.8
85.02949	10.6
85.69514	0.8
87.00874	29.2
89.02438	2.0
95.01390	4.3
98.19859	1.9
99.04533	1.0
101.02449	2.5
110.00104	2.0
111.00883	1.0
112.01659	2.5
113.02460	18.1
121.02888	0.9
139.28564	0.7
143.03508	1.7
161.04558	6.6
225.64397	0.8
277.14529	2.1
278.15179	4.2
411.25336	2.3
412.50845	0.8
429.26395	3.0
441.26041	0.9
455.24133	1.8
469.25473	1.2
471.27451	21.4
472.27750	3.5
473.25388	13.2
474.25836	1.3
487.26999	11.1
488.27304	1.7
497.25323	1.3
515.26471	76.3
516.26886	8.3
529.27979	27.3
530.28308	3.4
557.27521	100.0
558.27924	13.6
569.27765	2.3
575.28448	4.2
587.28680	8.7
588.28589	1.3
617.29590	15.7
618.29547	2.4
677.31836	6.9
678.31818	1.1
721.30670	10.8
722.31177	2.1
744.06940	1.0
781.32721	3.4
809.68207	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.4
60.99300	0.1
61.98831	100.0
69.68130	0.2
69.68547	0.4
71.01387	0.3
75.00856	0.1
78.91930	0.1
85.02969	0.1
88.98829	0.8
89.02457	0.1
96.96027	0.4
99.00883	0.1
100.23769	0.1
113.02501	0.1
114.05603	1.6
121.03007	0.2
147.04552	0.4
148.04836	0.1
209.11934	0.2
211.13383	0.1
466.00436	0.1
647.62805	0.1
752.26282	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	19.2
61.98834	84.2
71.01374	28.1
71.53339	14.3
77.06405	12.1
78.95918	13.8
86.50218	11.0
89.02445	20.4
101.02452	13.0
116.92863	33.1
171.10258	96.6
207.10313	19.4
215.59441	11.0
218.06754	11.1
221.83577	13.0
255.23245	72.2
277.21698	32.6
289.25333	12.3
295.36292	13.0
316.77182	12.8
379.12460	30.9
397.13577	48.3
635.36761	13.5
843.44958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.9
59.14347	0.9
61.98829	61.9
69.03452	1.7
71.01377	16.3
72.99295	5.0
73.02940	11.1
75.00868	2.4
81.02200	3.2
81.03446	1.4
82.02969	1.4
83.01389	1.5
83.05025	2.9
85.02935	5.4
87.00883	6.4
89.02458	4.7
93.03481	2.8
95.05021	3.9
97.02966	2.1
98.20140	5.3
99.00877	29.1
99.04520	10.0
100.04881	1.4
101.02457	2.9
102.66389	0.9
103.00340	1.2
103.05514	1.9
105.01984	0.8
107.05008	2.9
108.02167	1.2
109.02943	3.7
111.04515	7.0
113.02433	2.5
113.99504	0.9
119.03500	100.0
119.04940	2.9
120.03849	2.0
121.02959	6.4
121.06583	3.7
123.04534	4.7
123.08164	1.2
125.02454	2.4
127.03967	2.2
133.06601	1.5
135.04503	2.6
137.02448	2.1
137.06053	3.1
139.03981	2.9
147.04517	86.4
148.04849	2.5
149.02426	1.0
149.06061	4.7
150.05669	1.1
151.03989	3.9
158.03555	1.0
159.06897	1.3
161.06071	2.5
165.05583	2.4
167.03568	2.0
167.05853	2.0
169.10222	0.9
171.08083	0.9
175.04030	1.8
175.07671	2.3
176.04771	1.6
177.05585	3.0
179.07133	1.3
187.11273	3.9
188.39832	0.9
193.05013	7.0
194.05849	1.6
201.05565	2.8
203.07082	1.3
205.08675	3.4
211.06100	2.7
219.06390	0.8
225.09258	1.0
227.09486	2.2
227.12851	1.0
228.09837	1.1
231.10181	1.9
245.10587	1.1
279.12494	1.6
375.17694	1.0
378.46951	0.9
429.15414	1.4
436.87543	1.0
447.16342	1.2
455.16776	1.4
473.11395	0.9
473.18011	3.8
491.19196	76.5
492.19531	8.9
593.21973	1.1
621.22168	3.6
707.32776	2.7
723.26154	1.3
739.35236	1.3
751.25952	45.1
752.26282	7.8
782.34106	3.2
783.34210	14.0
784.34637	1.9
843.36426	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	843.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.9
59.47234	0.5
61.98830	8.9
68.99564	11.1
69.87630	0.4
69.92867	0.4
70.84446	0.4
71.01379	4.2
72.99297	1.8
73.02892	0.4
75.00873	2.0
79.13222	0.5
79.95715	0.6
81.03462	0.6
83.05004	0.5
83.42863	0.4
84.15646	0.5
85.02937	1.0
87.00883	0.6
88.98801	2.6
89.03970	0.5
91.05486	0.4
93.03474	0.6
95.05059	0.6
95.67479	0.5
96.96010	1.1
99.00875	11.9
99.04498	0.8
101.02444	0.6
103.00346	0.6
107.05029	1.1
109.02963	1.1
111.04531	0.5
112.98565	8.7
116.92844	1.4
117.03434	0.5
121.02950	1.4
121.06597	0.8
123.04549	1.0
132.02194	2.7
133.02954	38.3
134.03767	5.7
135.04524	36.1
136.04861	0.8
137.02414	3.6
139.04028	1.0
147.04536	4.5
149.06094	1.0
150.03241	1.1
154.99805	0.6
161.02435	100.0
162.02768	3.7
165.05487	0.5
175.04076	0.4
178.02679	2.3
179.03482	22.7
193.05042	1.7
194.05817	0.7
209.11783	0.7
211.07570	2.4
243.59814	0.6
291.06558	1.7
441.15179	0.6
491.19476	0.5
571.19751	0.8
635.21350	3.9
653.22345	7.7
654.22937	1.1
681.22205	1.1
730.65143	0.6
743.26868	4.4
744.27649	0.7
783.26477	13.5
783.39954	0.9
784.26740	2.8
811.26099	10.2
812.25964	2.6
843.27911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.9
59.47234	0.5
61.98830	8.9
68.99564	11.1
69.87630	0.4
69.92867	0.4
70.84446	0.4
71.01379	4.2
72.99297	1.8
73.02892	0.4
75.00873	2.0
79.13222	0.5
79.95715	0.6
81.03462	0.6
83.05004	0.5
83.42863	0.4
84.15646	0.5
85.02937	1.0
87.00883	0.6
88.98801	2.6
89.03970	0.5
91.05486	0.4
93.03474	0.6
95.05059	0.6
95.67479	0.5
96.96010	1.1
99.00875	11.9
99.04498	0.8
101.02444	0.6
103.00346	0.6
107.05029	1.1
109.02963	1.1
111.04531	0.5
112.98565	8.7
116.92844	1.4
117.03434	0.5
121.02950	1.4
121.06597	0.8
123.04549	1.0
132.02194	2.7
133.02954	38.3
134.03767	5.7
135.04524	36.1
136.04861	0.8
137.02414	3.6
139.04028	1.0
147.04536	4.5
149.06094	1.0
150.03241	1.1
154.99805	0.6
161.02435	100.0
162.02768	3.7
165.05487	0.5
175.04076	0.4
178.02679	2.3
179.03482	22.7
193.05042	1.7
194.05817	0.7
209.11783	0.7
211.07570	2.4
243.59814	0.6
291.06558	1.7
441.15179	0.6
491.19476	0.5
571.19751	0.8
635.21350	3.9
653.22345	7.7
654.22937	1.1
681.22205	1.1
730.65143	0.6
743.26868	4.4
744.27649	0.7
783.26477	13.5
783.39954	0.9
784.26740	2.8
811.26099	10.2
812.25964	2.6
843.27911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.9
61.62600	0.5
65.00310	0.5
65.03719	0.5
83.01366	0.5
85.02959	0.4
101.02466	0.6
107.01367	1.7
108.02191	1.2
109.02959	1.1
113.02380	0.5
121.02947	1.2
129.01932	1.3
134.58185	0.5
135.00845	0.6
146.66866	0.5
147.02979	1.4
148.01610	0.6
151.00354	7.0
151.84070	0.6
163.00313	1.4
178.99841	3.0
211.03969	1.0
215.03474	0.5
226.02684	0.7
227.03474	1.7
229.04924	0.7
243.02946	6.3
244.03307	0.7
255.02963	16.5
256.03442	1.1
271.02460	36.0
272.02945	3.1
273.03925	0.9
279.38525	0.5
299.01929	0.9
300.02731	70.2
301.03455	27.6
301.49222	0.5
302.03833	2.1
463.08850	2.3
505.09857	100.0
506.10135	10.0
541.26379	0.5
732.58270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.8
60.99297	0.3
61.98830	19.5
68.99854	0.2
71.01378	3.9
72.99300	0.3
73.02951	0.4
75.00879	0.3
83.05037	0.2
85.02937	0.6
87.00868	0.3
88.03358	0.2
88.98807	1.0
89.02443	0.2
93.03463	0.3
95.05038	0.4
96.96007	0.3
97.02941	0.2
98.20052	0.9
99.00880	12.9
99.04533	0.3
100.01202	0.3
101.02431	0.4
103.00401	0.2
105.42561	0.2
107.05025	0.2
109.02962	1.6
111.04504	0.6
113.02428	0.2
119.03493	3.1
121.02949	0.6
121.06553	0.3
123.04461	0.2
125.02422	0.2
129.01917	0.2
133.02960	1.2
135.04532	1.5
137.02432	0.2
137.06038	0.2
139.04018	0.3
146.03725	0.4
147.03409	0.3
147.04533	3.1
149.06081	0.4
150.03217	0.2
151.04019	0.3
160.15642	0.2
161.02438	3.0
165.05504	0.3
167.03520	0.2
174.03261	0.2
179.02052	0.2
179.03505	0.6
183.08215	0.2
187.11331	0.2
193.05051	0.4
193.06563	0.3
209.06111	0.5
209.11760	0.3
210.06853	1.1
211.07631	100.0
212.07965	6.4
212.72905	0.2
235.07639	0.3
237.09261	0.4
239.10724	1.1
247.07642	0.3
250.06299	0.3
263.07080	0.3
265.08615	0.9
291.06552	0.4
309.07770	0.2
327.08743	0.2
385.22137	0.2
405.63574	0.2
473.18018	0.2
491.19217	2.0
548.63049	0.2
599.18195	1.0
603.75684	0.2
739.23584	0.5
751.26056	2.3
752.26733	0.3
765.25989	0.4
783.26135	0.9
784.26343	0.2
808.59863	0.2
811.26038	3.0
812.26605	0.6
843.40967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.1
61.98829	100.0
62.98524	0.1
69.06159	0.1
71.01385	0.1
75.00877	0.2
83.84711	0.1
88.98804	0.2
98.20106	0.4
99.00862	0.1
99.83527	0.1
117.05602	0.2
143.41948	0.1
147.04553	0.2
151.60155	0.1
211.07635	0.6
253.90822	0.1
489.60925	0.1
492.19818	0.1
564.54199	0.1
750.29626	0.1
842.44977	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	842.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.1
61.98830	100.0
62.98521	0.1
68.70058	0.1
69.33340	0.1
71.01401	0.1
86.79259	0.1
99.00855	0.1
115.04032	0.1
121.06573	0.1
147.04561	0.1
148.04823	0.1
156.42055	0.1
161.02496	0.1
215.28833	0.1
258.04752	0.1
348.34781	0.1
348.47266	0.1
460.25058	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	841.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01710	0.9
61.98833	0.7
65.95110	0.5
68.99812	0.6
69.03462	2.3
71.01386	39.1
72.01716	0.6
72.99322	2.3
73.02947	8.3
75.00873	0.6
81.03487	1.7
83.01385	5.8
84.02152	0.6
85.02954	21.7
86.00101	1.8
87.00887	4.1
89.02454	10.5
95.01391	5.7
97.02974	4.5
99.00880	4.2
99.04538	1.0
101.02446	18.8
111.00909	2.0
112.01698	1.5
113.02456	25.5
115.04034	1.2
119.03533	2.9
121.02950	0.6
123.00931	0.6
124.01669	5.3
125.02455	13.1
141.01978	0.6
142.02841	0.6
143.03517	6.0
159.03049	1.6
161.04558	3.8
161.13426	1.4
187.11337	1.6
197.15395	1.1
205.12337	2.2
226.09114	0.6
229.12425	1.1
249.11401	1.1
283.22940	0.8
288.92368	0.6
299.26028	2.7
345.30118	7.6
345.34036	0.8
489.34256	8.7
490.34869	1.0
507.35550	5.3
585.36719	1.3
591.22968	1.3
597.36981	2.0
615.37787	2.1
633.23157	0.8
633.38562	41.2
634.39111	5.7
651.39594	60.2
652.40063	8.0
661.29309	1.2
669.40741	14.4
669.51459	1.0
670.41730	2.3
693.40631	34.8
694.41095	5.9
711.41724	39.4
712.41931	7.3
753.42645	10.0
754.43481	1.6
841.34741	3.9
842.36945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.6
61.98825	15.0
69.44431	10.9
71.01380	13.4
72.99316	22.0
75.00877	2.4
82.59031	1.6
85.02955	5.8
86.17131	1.3
87.00882	4.0
88.98818	2.6
93.03442	1.7
95.05036	1.4
96.96025	1.8
97.02972	3.7
99.00881	46.8
99.01536	2.5
99.04517	3.1
101.02427	2.2
109.02934	2.9
111.04533	3.5
116.92897	2.2
119.04993	1.4
121.02969	12.3
123.04516	3.6
125.02447	1.9
127.04050	2.1
135.04550	1.9
137.06055	1.7
147.04526	100.0
148.04839	2.2
149.06021	4.0
153.87387	1.5
161.06105	1.7
164.71675	1.7
165.05521	2.4
168.73549	1.5
171.10126	1.7
175.38985	1.5
177.05525	2.3
181.06453	1.7
181.58716	1.7
185.09692	1.3
193.05022	6.1
209.11780	8.5
210.06934	1.8
211.06087	9.4
225.09280	1.9
225.11319	2.1
227.12787	1.8
253.09341	1.6
307.19199	2.4
309.20621	1.7
370.15564	1.4
485.18143	1.6
603.22766	3.8
633.23627	8.2
763.28302	2.0
771.42114	1.6
779.30664	2.5
781.28931	9.6
830.55389	1.9
831.50696	1.5
861.97656	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	841.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.98832	16.3
71.01388	1.0
71.53018	0.5
72.99312	3.3
73.02946	0.6
73.97736	0.3
75.00874	100.0
76.01207	0.8
83.32919	0.4
85.02951	0.7
85.93831	0.3
88.98811	2.9
99.00891	1.5
101.02446	28.6
111.04537	0.5
115.00337	0.3
116.92886	1.8
117.01860	0.4
119.04986	0.4
121.02979	1.1
123.04559	0.4
134.43433	0.3
147.04520	7.2
149.06073	0.6
151.04051	0.4
154.99818	0.9
159.01253	0.8
161.06076	0.4
173.00941	1.1
193.05115	1.4
194.05728	0.5
209.11884	0.6
211.06143	0.9
225.11050	0.3
286.81406	0.3
290.88300	0.3
423.41617	0.4
473.18439	0.7
491.18961	0.5
513.18073	0.5
539.19556	0.5
557.20050	0.6
575.21539	0.5
687.24591	0.7
705.26001	0.7
733.25354	0.5
738.70728	0.4
841.19128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	12.4
61.98829	53.0
68.99549	2.3
69.03453	2.6
71.01379	17.1
72.99301	4.5
73.02929	2.2
75.00878	7.8
81.03453	1.1
83.01393	1.1
83.05025	3.1
85.02951	7.6
87.00865	6.5
88.98810	2.3
89.02451	1.9
93.03462	2.4
95.01375	1.5
95.05013	3.0
96.95994	1.2
97.02941	3.3
98.19931	2.6
99.00884	33.3
99.04522	1.3
101.02427	4.2
103.00377	3.4
103.05537	1.8
107.05029	3.0
108.02177	17.1
109.02968	11.0
111.00893	2.5
111.04545	6.5
112.98567	1.7
113.02429	3.6
116.92844	4.2
117.01941	55.4
119.05013	4.8
121.02947	6.2
121.06547	2.5
123.04507	3.8
125.02428	3.0
127.04024	2.2
132.94029	1.2
135.04504	3.2
137.06067	2.2
139.04015	4.4
147.04521	100.0
148.04881	3.2
149.02451	1.4
149.06061	4.2
151.04025	3.1
152.01137	11.5
153.01906	3.4
161.05975	1.6
165.05528	2.8
167.03522	1.5
177.05522	2.1
185.09686	1.3
187.03987	1.2
187.11310	3.1
191.07211	1.3
193.04993	5.4
194.05762	2.2
203.07149	1.3
205.08720	1.9
211.06104	2.7
231.10141	1.6
247.06082	2.2
279.12350	1.2
473.18195	2.9
491.19205	52.0
492.19763	6.0
574.19495	1.2
585.21014	1.3
603.22418	2.1
619.20343	1.4
621.23389	2.2
633.38885	2.5
651.39844	3.5
693.40485	2.6
711.41504	3.1
718.64325	1.2
731.23248	1.4
749.24493	45.4
750.24902	7.7
753.41962	1.2
755.31934	2.2
797.34009	11.2
798.33459	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	839.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98828	3.4
69.03454	3.6
71.01381	59.4
72.99304	3.8
73.02950	12.3
75.00866	1.3
75.16679	0.9
81.03437	1.5
83.01375	8.9
85.02945	26.2
85.06562	1.2
86.00059	1.6
87.00874	5.8
89.02450	17.5
95.01373	4.9
96.96011	3.1
97.02948	4.2
99.00880	5.7
101.02439	28.0
111.00867	4.2
112.01690	1.1
113.02441	29.4
115.00358	7.7
119.03481	5.3
120.66741	0.8
124.01630	3.6
125.02451	11.4
129.01944	1.1
133.01422	14.8
139.04053	1.1
143.03482	5.8
143.10747	4.5
153.25285	0.9
161.04559	5.6
169.12332	1.4
169.71030	0.9
179.05504	0.9
201.11256	1.5
209.11818	3.7
214.54153	0.8
255.55426	0.9
283.26477	1.4
343.28531	3.0
355.28430	1.2
394.83044	1.0
454.04922	0.9
469.31738	1.3
487.32755	9.4
488.33072	1.3
505.33725	5.3
557.33258	1.4
595.34741	2.0
613.36005	2.0
631.36945	39.9
632.37585	4.4
649.37994	63.9
650.38483	7.5
667.39020	16.2
668.39716	2.3
691.39093	33.3
692.39142	5.3
709.40088	42.5
710.40741	5.8
751.41125	9.1
821.37402	1.3
839.37158	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	839.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.12892	0.7
61.98831	1.1
67.36722	0.6
69.03446	1.5
69.35069	5.9
71.01382	44.2
71.05032	1.1
72.99300	2.4
73.02944	13.3
75.00873	1.2
83.01397	5.6
84.02193	0.9
85.02946	23.8
85.06596	1.2
86.00093	1.0
87.00868	4.8
89.02437	11.6
95.01393	6.4
96.96021	1.4
97.02951	4.6
98.20632	1.0
99.00884	7.1
101.02441	22.7
102.02792	0.7
111.00899	2.9
112.01717	1.0
113.02446	29.4
115.00400	0.7
119.03516	3.8
123.55244	0.6
124.01668	5.1
125.02443	9.9
129.01959	1.1
131.03510	0.9
133.01434	1.0
141.02039	0.8
143.03505	6.1
143.10771	5.0
159.03044	1.7
161.04521	8.2
165.43991	0.6
179.05690	0.6
209.11794	1.0
283.26422	0.7
313.27533	1.0
325.27725	1.2
343.28534	4.4
380.70734	0.6
383.19348	0.6
469.31915	2.7
470.32693	0.7
487.32755	14.3
488.33435	1.3
505.33633	6.8
529.34100	1.3
547.34943	0.9
585.36682	0.8
595.35175	2.6
613.36194	2.8
631.36945	35.4
632.37579	4.0
649.37982	56.6
650.38348	6.5
667.39056	12.1
667.49811	0.8
668.39581	1.0
691.39008	27.9
692.39191	3.6
709.40106	41.0
710.40588	4.8
751.41034	9.0
752.42474	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	839.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01716	1.8
61.98831	13.4
69.03448	0.8
71.01382	3.7
71.52966	1.3
72.99299	1.4
82.56522	0.8
85.02949	15.1
88.98802	0.8
89.02425	1.0
96.96009	4.3
97.02952	2.8
99.00909	5.2
99.04531	1.0
99.92567	0.8
101.02448	2.1
109.02948	1.1
111.04510	1.0
115.04042	5.0
116.92838	3.9
121.02956	2.0
123.04487	0.7
124.98811	1.9
128.68089	0.9
142.99867	2.8
147.04527	6.4
149.05974	0.8
150.04926	0.7
159.08185	1.4
209.11758	2.3
211.13379	1.4
226.11398	0.8
337.35849	0.8
373.20261	1.8
410.45700	0.9
415.21237	1.4
423.87634	0.9
439.21671	1.5
441.22626	4.6
457.22263	9.0
465.22446	1.0
483.23917	3.4
489.24994	2.3
491.19208	1.8
525.24927	69.6
526.25165	9.6
687.30536	1.3
747.26453	5.3
817.28223	0.8
839.39209	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01725	0.7
61.98830	7.4
66.94930	0.6
71.01377	0.9
71.52703	0.6
71.53114	0.7
72.99323	0.5
85.02953	20.2
87.00891	0.6
91.12176	0.4
96.95995	2.4
99.04572	0.5
111.95596	0.4
116.66721	0.4
116.92870	2.4
121.02946	1.1
157.06526	0.8
159.08130	0.4
199.25873	0.5
209.11786	0.6
243.57132	0.4
279.48648	0.5
354.56650	0.5
439.21307	0.5
441.22717	5.0
442.23016	0.6
457.22241	1.3
465.23254	1.0
475.77194	0.5
481.26047	0.5
483.23810	3.8
525.24921	70.1
526.25226	9.7
614.06378	0.5
687.30438	1.2
749.29498	0.4
839.39923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	85.5
59.64334	1.4
60.17844	1.4
61.98835	16.6
71.01385	19.5
73.02952	2.0
75.00871	7.3
85.02954	4.7
87.00891	3.5
88.98796	8.8
89.02442	3.2
96.96032	4.1
98.19814	2.7
99.04523	69.2
99.92580	2.4
100.04852	2.2
101.02431	5.3
113.02473	2.0
115.00345	4.7
116.92863	15.5
121.02929	4.9
123.43056	1.7
133.01414	3.5
135.04556	2.4
171.08160	1.8
171.10251	1.7
199.07664	3.9
209.11821	6.3
229.08467	2.1
373.20111	3.5
413.19601	3.6
455.24481	5.3
495.24210	5.5
513.24878	6.0
527.22675	2.1
535.23175	2.0
539.26398	15.1
540.26270	2.2
569.23761	2.2
579.26038	5.5
595.25452	8.6
597.27002	13.4
598.26941	2.0
609.26880	2.7
619.38281	1.9
627.28198	27.9
628.28284	3.8
629.29645	3.5
637.26227	15.9
644.91937	1.8
649.38696	2.5
655.27710	5.0
669.19836	1.8
669.29150	74.7
670.29358	12.6
687.30145	100.0
688.30420	20.8
838.99237	1.8
839.42468	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	839.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	85.5
59.64334	1.4
60.17844	1.4
61.98835	16.6
71.01385	19.5
73.02952	2.0
75.00871	7.3
85.02954	4.7
87.00891	3.5
88.98796	8.8
89.02442	3.2
96.96032	4.1
98.19814	2.7
99.04523	69.2
99.92580	2.4
100.04852	2.2
101.02431	5.3
113.02473	2.0
115.00345	4.7
116.92863	15.5
121.02929	4.9
123.43056	1.7
133.01414	3.5
135.04556	2.4
171.08160	1.8
171.10251	1.7
199.07664	3.9
209.11821	6.3
229.08467	2.1
373.20111	3.5
413.19601	3.6
455.24481	5.3
495.24210	5.5
513.24878	6.0
527.22675	2.1
535.23175	2.0
539.26398	15.1
540.26270	2.2
569.23761	2.2
579.26038	5.5
595.25452	8.6
597.27002	13.4
598.26941	2.0
609.26880	2.7
619.38281	1.9
627.28198	27.9
628.28284	3.8
629.29645	3.5
637.26227	15.9
644.91937	1.8
649.38696	2.5
655.27710	5.0
669.19836	1.8
669.29150	74.7
670.29358	12.6
687.30145	100.0
688.30420	20.8
838.99237	1.8
839.42468	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	839.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.3
61.02880	0.6
70.24735	0.5
71.01373	2.8
71.52767	0.7
71.53117	0.8
71.79572	0.6
72.62771	0.5
73.02956	1.5
76.32010	0.6
85.02953	3.4
87.00877	1.0
89.02436	2.4
96.95988	0.6
99.04525	1.5
101.02431	2.2
103.04024	3.5
109.02965	0.9
113.02439	1.7
113.39162	0.5
115.03982	1.1
119.03465	0.8
125.02490	0.8
127.07657	1.5
129.05540	1.2
135.04550	0.8
139.07573	0.6
147.03104	0.7
150.03177	0.6
151.03947	1.0
153.09134	0.8
161.02501	0.9
161.04536	1.1
167.03522	1.5
168.70970	0.7
189.07686	1.2
195.06647	0.6
212.01538	0.6
265.09256	2.2
275.05518	0.7
280.43835	0.6
307.10428	1.1
335.12909	0.9
351.12943	4.3
395.15558	0.9
402.97775	0.6
437.15811	100.0
438.16205	9.2
439.18494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40780	1.0
59.01377	6.3
61.98832	11.7
65.47317	1.2
68.99805	1.3
69.03461	9.3
71.01382	24.0
71.05022	3.0
72.99294	4.8
73.79105	1.2
75.00870	4.7
79.05540	1.1
81.03465	2.7
83.05032	3.5
85.02950	14.9
87.00881	3.1
93.03450	5.8
95.05022	6.0
97.02950	38.0
97.06596	2.1
98.20746	3.0
99.00880	92.5
99.04500	2.5
100.01195	1.3
101.02425	2.6
103.00348	4.7
103.05554	2.9
107.05029	5.4
108.02143	1.8
108.28196	1.2
109.02939	5.0
109.06606	1.6
111.04512	8.7
113.02448	2.8
115.04012	78.1
116.04303	1.8
119.04995	5.2
119.15372	1.2
121.02960	14.2
121.06612	6.2
121.07357	1.4
123.04533	8.3
125.02409	2.8
127.03989	3.3
133.06522	1.8
135.04482	4.1
137.02390	3.4
137.06065	4.0
139.03987	4.8
147.04521	100.0
148.04868	3.5
149.06091	7.1
151.04024	6.2
155.08679	2.4
159.04483	2.9
161.06082	2.6
165.05547	6.3
167.03465	4.3
167.07120	1.4
173.06053	1.7
175.04016	1.7
177.05560	2.4
179.07104	2.2
187.07704	1.6
187.11285	5.8
193.05060	10.4
194.05806	2.6
195.06660	1.4
199.07629	2.7
203.07248	2.6
205.08688	1.9
210.08801	1.2
211.06117	3.5
217.08659	1.6
224.12782	1.1
227.07147	3.7
229.26988	1.6
279.12390	1.8
313.66330	1.2
412.57935	1.3
447.16522	5.5
455.16827	2.6
473.18015	19.0
474.18094	1.5
491.19202	57.0
492.19669	6.0
527.19446	2.4
571.22363	2.3
589.22449	2.5
603.22485	1.4
617.22601	2.2
617.31995	1.4
701.25470	2.2
719.27039	2.1
747.26520	58.4
748.26862	11.2
804.84399	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
59.95666	0.3
60.00870	0.2
67.71602	0.3
67.83836	0.3
70.02964	0.8
71.01382	4.6
88.04041	53.5
89.04388	0.7
91.27708	0.3
96.99307	2.2
103.09306	0.3
114.01958	2.4
115.00372	10.7
116.00703	0.3
128.10817	30.5
129.09221	13.6
129.11180	1.0
130.09497	0.3
132.03036	4.6
136.61008	0.3
151.90688	0.3
154.12428	0.4
155.90114	0.2
156.13934	0.2
181.29280	0.3
182.11826	2.6
200.12909	11.9
201.13231	0.6
211.04018	0.3
226.10815	3.2
227.03503	2.1
229.05061	1.1
229.41187	0.4
244.11884	100.0
245.12202	5.2
255.00511	0.5
255.02992	4.6
256.03656	0.5
257.04657	0.5
284.03281	6.3
285.04034	7.8
336.69260	0.3
593.15094	15.5
594.15253	1.7
704.38928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.8
59.01379	45.0
60.01723	0.7
61.98832	0.5
64.60329	0.2
69.03449	0.8
70.86438	0.5
71.01379	20.7
72.99310	0.9
73.02943	10.1
75.00901	0.3
77.30328	0.2
78.37055	0.2
83.01391	3.5
85.02950	11.0
85.06599	0.3
86.00084	0.7
87.00887	1.3
89.02441	5.0
95.01389	2.0
96.95997	1.2
97.02972	0.9
99.00894	2.1
99.01497	0.4
99.04510	0.5
101.02440	15.0
102.02785	0.3
111.00889	0.5
113.02451	8.6
119.03510	1.5
121.02959	0.9
125.02444	1.0
125.46136	0.2
131.03519	0.4
143.03503	0.8
143.10786	0.5
147.04617	0.3
149.04585	0.5
159.02991	0.6
161.04536	2.7
173.99965	0.2
191.03502	0.4
192.86848	0.2
195.17543	0.5
201.11198	0.8
209.11823	1.7
211.13400	1.2
227.12802	0.3
243.77847	0.2
297.27945	1.2
323.25720	0.3
365.27014	0.4
397.13522	0.5
407.45023	0.3
485.31116	0.9
503.25540	0.4
503.32312	3.7
504.32639	0.6
509.31116	0.6
527.32288	1.7
545.33270	100.0
546.33618	12.5
569.33228	3.9
570.33228	0.3
587.34503	1.4
629.35101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98531	0.1
147.37036	0.1
154.41051	0.1
837.48834	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	836.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.98829	100.0
65.68316	0.1
68.99554	0.2
70.40504	0.1
71.01382	1.2
71.53453	0.2
80.96545	0.3
87.00864	0.2
89.02477	0.2
96.96027	0.4
101.02416	0.2
101.19889	0.2
116.92879	0.5
119.84584	0.1
121.02922	0.2
151.38828	0.2
171.10280	0.2
199.13383	0.2
201.11201	0.2
207.10228	0.2
209.11842	0.5
211.13406	0.3
227.12802	0.3
369.85013	0.2
397.13519	0.2
515.56146	0.2
763.65179	0.2
836.39508	0.3
837.38843	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.4
59.01381	7.9
60.31045	0.1
61.98819	0.4
68.37785	0.1
68.99831	0.2
69.03457	0.4
69.56758	0.5
69.57177	0.2
70.71075	0.1
71.01382	7.9
71.05029	0.2
72.99310	0.8
73.02946	1.2
75.00874	0.2
79.95741	0.1
80.02679	1.2
81.03448	1.9
83.01388	0.9
83.05029	5.4
84.02172	0.9
85.02944	1.8
87.00875	1.8
87.04522	0.2
88.98779	0.2
89.02445	7.1
93.03452	0.3
95.01390	0.7
95.05040	0.8
96.96020	1.1
97.02945	1.1
97.06574	0.2
99.00886	0.5
99.04513	0.2
101.02448	6.3
102.05601	0.1
107.05026	0.1
109.02950	0.2
109.06575	0.4
111.00875	0.4
111.04542	0.2
111.08108	0.2
112.98599	0.1
113.02451	3.4
115.00333	0.2
119.03500	2.0
121.02949	0.2
123.04498	0.1
123.08160	0.1
125.02447	2.8
125.06070	0.6
125.09717	0.3
127.11207	0.1
128.03543	0.3
130.17581	0.1
131.03519	0.4
135.03040	0.2
135.08150	0.8
139.04022	0.2
141.01921	0.2
143.03520	1.2
146.04613	0.6
147.11806	0.4
149.04541	0.3
156.08557	0.1
161.04568	1.9
163.11288	4.6
165.12854	2.7
166.13150	0.2
167.03447	0.2
171.10307	0.9
175.02489	0.1
179.05606	1.9
181.12355	0.7
183.13914	0.2
185.11838	0.1
191.10783	1.6
199.06065	0.1
199.13408	0.4
207.10274	0.2
209.11819	100.0
210.12163	5.1
210.14229	0.1
211.13411	0.4
217.07198	0.3
221.06648	0.8
223.13368	0.2
225.11301	0.3
227.12877	15.5
228.13162	0.8
235.08212	2.3
239.12953	0.1
245.06740	0.2
247.13358	0.6
249.15019	0.1
251.12935	0.5
253.09245	0.4
259.08206	0.2
263.07681	0.2
265.14337	0.3
287.07718	0.9
305.08746	1.0
323.09796	0.4
379.12445	3.0
380.12860	0.2
397.13495	19.6
398.13742	1.3
401.23492	0.2
415.14548	5.5
416.15085	0.3
419.24780	0.2
427.19553	0.2
497.20749	0.1
543.32068	0.2
589.24884	0.6
607.26245	1.4
608.26947	0.2
680.40814	0.1
773.36444	0.2
791.38513	0.1
799.37970	0.7
817.38007	0.2
835.38885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	0.4
59.01379	10.4
60.99315	0.4
61.98829	34.1
68.99557	0.9
71.01382	100.0
72.01717	1.4
72.99306	3.7
75.00902	0.6
78.95914	0.7
80.96542	0.4
85.02954	0.8
86.47849	0.4
87.00879	9.8
88.04066	0.4
88.98816	2.1
89.02440	1.5
93.38006	0.3
96.96011	0.9
96.99290	0.6
97.02957	0.5
97.06572	0.6
98.19925	0.7
99.00925	0.5
99.04519	52.9
100.04870	1.3
101.02445	1.7
103.00375	0.5
105.01932	6.3
109.06599	0.6
112.98581	0.7
113.02503	0.4
115.00366	11.5
116.92879	0.7
121.02992	0.5
123.04449	0.5
133.10245	0.6
147.04512	0.6
159.08078	1.0
169.12392	0.5
199.13347	1.1
201.11346	0.4
207.10265	1.2
209.11789	3.5
211.13440	1.9
215.14417	0.8
225.09314	0.6
225.11327	1.3
227.12880	1.6
264.81717	0.4
359.68863	0.4
373.20071	3.0
384.96136	0.4
397.13419	1.4
415.14600	0.4
455.24362	4.9
456.25198	0.5
457.21854	0.7
497.25571	2.5
521.24518	0.5
539.26538	8.0
540.26501	0.9
593.27734	0.9
603.28021	4.5
604.28076	0.6
605.25574	0.5
609.26721	0.9
627.27917	0.5
629.62982	0.5
637.26331	0.8
645.29114	1.2
646.28717	0.6
687.30170	47.1
688.30328	7.5
705.31519	0.8
719.31927	0.8
817.38239	0.8
835.38055	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98829	100.0
62.98528	0.2
69.32166	0.5
69.32571	0.2
78.95919	0.3
95.36131	0.1
98.20224	0.3
99.04545	0.3
129.22314	0.1
167.10217	0.1
177.05887	0.1
255.23459	0.2
289.56940	0.1
381.54047	0.1
501.99591	0.1
677.30261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00571	2.2
59.01377	75.3
61.98806	3.7
62.32259	1.4
63.32500	1.6
71.01382	45.7
71.54592	1.5
72.99264	4.7
73.02921	2.8
78.29109	1.6
83.01395	3.3
85.02954	18.6
87.00840	2.7
88.98770	4.5
89.02445	30.9
95.01348	2.9
96.95959	5.5
99.00846	2.5
101.02435	23.1
103.03966	3.4
103.50448	1.8
106.06564	6.4
108.04485	4.2
113.02444	12.8
119.03478	10.8
121.02877	5.4
122.06102	7.3
123.03231	2.4
124.03945	3.5
125.02438	1.9
127.07629	1.8
129.01854	7.2
134.06126	52.6
135.04375	2.1
135.06424	1.9
136.04056	7.5
138.05586	3.1
139.11208	3.2
147.02930	2.1
149.02370	1.8
149.04572	1.6
150.03073	2.7
150.05547	3.4
152.07204	10.7
154.14780	1.7
161.13341	2.3
165.05510	3.8
168.06541	5.6
173.00813	1.8
181.12184	1.6
187.11188	3.0
194.53433	1.6
195.06512	2.7
201.11310	1.7
209.11835	11.8
235.08334	1.5
243.12173	6.7
247.08711	1.9
249.10670	2.0
251.05330	2.0
257.07980	3.4
262.28537	1.6
265.09564	3.0
277.09683	4.1
314.12552	2.3
358.12027	1.8
360.13004	2.2
368.14108	2.0
370.11578	3.3
372.13248	2.9
384.13516	2.6
386.10898	4.4
386.14893	4.4
391.14972	2.5
396.13150	2.4
397.13382	2.7
401.13953	2.8
402.14133	6.1
403.14459	1.8
404.15585	5.1
405.15961	2.0
408.13721	2.3
414.14130	6.2
417.12665	2.8
423.18381	6.6
424.16885	1.6
430.13516	1.9
431.19406	9.5
432.15540	30.5
433.15823	2.2
444.15585	12.5
445.15979	2.1
464.17435	1.9
505.18799	1.8
579.21942	3.2
611.30231	2.6
655.29797	10.6
718.27570	4.5
731.27930	3.2
741.27820	2.3
759.28802	100.0
760.29010	15.2
791.31470	46.2
792.31317	9.3
803.27496	22.5
804.27515	4.7
835.30084	93.2
836.30127	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	830.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
60.53017	0.1
61.98830	100.0
62.98532	0.1
63.85542	0.1
67.18716	0.1
68.99564	0.1
78.95924	0.3
79.95751	0.1
94.98137	0.1
96.96013	2.8
96.96992	0.2
112.98574	0.2
147.04543	0.7
148.04909	0.3
209.12061	0.1
253.78590	0.1
274.74048	0.1
279.75684	0.1
303.01666	0.1
362.17923	0.1
386.84839	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	831.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94552	0.4
59.01370	1.3
61.96394	0.4
71.01372	1.5
71.51003	0.7
78.95903	75.9
79.95727	1.5
80.96512	8.8
94.98106	1.4
96.96960	18.1
115.56097	0.4
122.97563	1.2
123.61538	0.4
134.97571	1.0
134.98546	1.0
135.79066	0.4
139.41962	0.4
141.01723	0.5
146.98592	0.4
152.99588	20.9
164.98639	0.7
178.19667	0.4
223.00110	6.4
225.00691	1.3
241.01178	31.8
242.01537	1.2
255.23276	59.7
256.23672	3.2
259.02332	2.2
277.21701	36.2
278.21939	3.6
297.03796	1.8
315.04761	0.9
329.95490	0.4
391.22583	6.5
392.22623	0.6
413.20874	0.8
553.27753	5.3
554.28540	0.5
571.28802	0.8
575.26044	0.9
593.66431	0.4
669.46014	0.6
831.50177	100.0
832.50537	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	832.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.4
61.98831	100.0
62.98537	0.3
71.01401	0.1
78.61443	0.1
78.95924	0.2
96.96019	0.2
98.19848	0.2
99.04519	1.7
136.16245	0.1
147.04543	0.1
168.39160	0.1
198.06863	0.1
199.07663	0.3
201.11272	0.2
209.11847	0.3
213.09200	0.3
383.23267	0.1
427.21191	0.4
509.25421	1.0
533.25812	0.2
541.27905	0.2
551.26776	0.3
583.29047	0.2
591.29773	0.4
592.29504	0.1
593.07428	0.1
633.30719	2.1
634.31201	0.3
665.33331	1.1
666.33044	0.2
709.32263	0.8
710.33380	0.1
832.50391	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01148	0.8
59.01380	8.7
61.98829	85.6
62.98561	1.0
67.65998	0.8
68.99828	1.6
69.03437	2.2
71.01383	4.7
71.05039	4.2
72.99288	1.0
73.02940	2.4
77.13931	0.7
81.03446	4.3
83.01389	1.6
83.05024	1.8
85.02950	3.4
87.00883	1.8
89.02447	4.6
93.03437	3.8
95.01380	1.4
95.05040	3.9
96.96043	0.9
97.02961	5.8
99.00861	3.1
99.04518	50.3
101.02431	1.5
103.05509	1.9
107.05053	1.0
108.02194	1.3
109.02911	3.9
111.04502	8.0
112.98579	1.0
113.06116	1.4
115.04788	0.9
119.05023	2.2
121.02973	5.4
123.04526	5.8
125.02426	9.5
125.06133	0.9
127.03998	1.3
135.04552	1.1
137.02454	1.3
137.06129	1.2
139.04002	14.3
141.01669	0.8
141.05559	3.1
147.04524	100.0
147.89578	0.8
148.04849	2.6
149.06091	1.7
151.04025	5.4
157.05069	1.3
159.08104	1.1
161.06125	0.8
165.05501	1.7
167.03477	2.2
169.05067	3.7
175.03810	0.8
175.07582	1.4
177.77316	0.8
185.09697	1.6
187.83051	0.8
193.05063	1.7
193.41029	0.8
194.05789	3.1
195.06593	1.5
211.06212	1.6
233.09738	1.1
255.08699	0.9
258.37781	0.9
303.12372	1.6
333.13300	1.8
353.72192	0.9
378.98041	0.8
381.13611	1.9
399.14352	3.8
407.52008	0.8
455.17780	1.0
499.19699	5.0
500.19510	1.1
529.18695	9.4
530.18970	2.2
567.20416	2.1
585.20911	1.8
599.22742	1.2
611.23053	2.6
629.23523	6.2
630.23138	0.9
657.23053	3.7
714.17255	1.0
769.28406	1.1
797.28442	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.2
60.01702	0.2
61.98832	100.0
62.98520	0.1
67.36294	0.1
71.01395	0.3
71.05034	0.1
73.02970	0.1
75.00888	0.3
81.03477	0.2
83.01381	0.1
85.02984	0.1
87.00906	0.2
88.62009	0.1
88.98830	0.2
89.02454	0.4
89.44596	0.1
95.05033	0.1
96.96038	0.5
97.02962	0.2
99.00897	0.3
99.04521	2.0
101.02471	0.4
102.06850	0.1
105.01916	0.1
111.04530	0.4
121.02956	2.0
122.03274	0.2
123.04547	0.3
125.02464	0.4
139.04033	0.8
147.04521	4.4
149.06169	0.1
151.03993	0.2
153.58730	0.1
162.83939	0.4
167.23880	0.1
194.05731	0.1
351.14462	0.1
375.33392	0.1
399.14520	0.2
413.23141	0.2
456.95953	0.1
529.18732	0.6
554.25653	0.1
557.20166	0.1
567.20233	0.2
629.24060	0.3
644.25757	0.2
657.23328	0.1
675.28345	0.4
676.28528	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	828.272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.1
61.98829	100.0
62.98534	0.2
69.34309	0.4
69.34711	0.1
71.01374	0.1
71.11823	0.1
73.02953	0.1
88.98828	0.1
98.20518	0.2
99.00891	0.2
101.02447	0.3
103.04057	0.1
103.06327	0.1
147.04518	0.4
148.04854	0.2
264.66174	0.1
492.19595	0.1
500.24734	0.1
736.26477	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	828.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
61.98829	100.0
71.01400	0.3
72.99306	0.1
75.00903	0.1
84.05322	0.1
85.02951	0.2
88.98812	0.3
91.06424	0.1
96.95986	0.8
98.20540	0.1
99.00874	0.2
99.04514	0.1
101.02381	0.1
112.51286	0.1
114.07682	0.1
116.92922	0.1
121.02987	0.1
132.45584	0.1
134.27708	0.1
147.04617	0.1
171.10188	0.1
183.13959	0.1
213.14977	0.7
224.11737	0.1
251.93823	0.1
819.35797	0.1
828.40997	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	0.4
59.01380	6.8
68.41752	0.5
68.99821	0.8
70.19366	1.5
71.01377	5.5
72.99294	2.3
73.02930	0.8
75.00865	2.2
77.06402	0.4
78.64571	0.4
83.01387	3.0
84.02157	2.2
85.02950	100.0
86.03278	1.8
87.00876	1.4
89.02438	2.1
93.50430	0.4
101.02436	1.6
103.00373	2.0
109.02945	1.2
111.00879	4.3
113.02434	1.4
115.00368	0.7
119.05030	2.8
123.04538	0.5
129.01944	9.1
133.01410	1.7
133.02934	0.9
135.04558	3.1
147.02991	11.9
149.06053	1.6
161.02432	4.7
161.79115	0.5
163.03990	3.5
173.00891	2.9
179.03491	0.9
189.05576	1.0
191.01968	58.2
192.02304	1.6
209.03018	46.4
210.03328	1.4
221.04472	1.0
231.06624	2.5
265.09253	0.6
275.05588	2.3
323.13589	0.7
337.05533	2.5
353.08713	0.9
354.09189	0.6
355.06671	36.4
356.06982	1.9
393.11935	0.6
413.11072	0.8
455.11826	1.5
473.12912	3.5
499.10849	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.6
61.98830	0.3
71.01378	0.3
71.54103	0.1
73.02965	0.2
79.95724	4.8
81.95324	0.2
85.02940	0.3
88.98840	0.1
89.02457	0.3
93.80753	0.1
96.96011	80.7
97.95939	0.3
98.95592	3.4
98.96442	0.4
101.02483	0.2
122.97637	0.2
126.73299	0.1
149.06122	0.1
169.21007	0.1
197.50626	0.1
201.11340	0.6
209.11847	0.3
233.40767	0.1
281.08429	0.1
289.11142	100.0
290.11478	10.0
290.15015	0.2
291.10812	4.8
292.11130	0.3
305.10748	0.3
455.13840	0.2
639.15143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.1
61.98829	100.0
62.98534	0.1
71.01395	0.3
78.31974	0.1
96.96066	0.1
98.19904	0.2
99.00887	0.7
101.02417	0.3
117.03475	0.7
118.03828	0.1
119.05030	0.5
120.05373	0.1
121.02965	0.2
145.02942	1.8
146.03319	0.5
147.04538	0.3
163.03973	0.6
164.04295	0.1
177.05760	0.1
181.98244	0.1
229.21745	0.1
229.50200	0.1
236.59821	0.1
360.99658	0.1
736.24609	0.1
768.27814	0.2
796.27417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.2
61.98830	100.0
62.64719	0.1
62.98524	0.1
63.99262	0.2
68.81736	0.1
70.26783	0.4
71.01385	0.1
82.77293	0.1
88.98839	0.3
96.96073	0.1
99.04530	0.1
101.02415	0.3
121.02956	0.3
140.00717	0.1
147.04521	0.8
154.06369	0.1
162.85773	0.1
168.86848	0.1
171.65149	0.1
195.13881	0.3
196.14182	0.2
222.08990	0.1
239.12943	0.3
323.14880	0.1
381.99158	0.1
388.81696	0.1
733.25916	0.3
737.30682	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	828.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93545	0.1
59.01380	0.1
61.98831	100.0
62.98542	0.1
62.99255	0.1
63.99696	0.1
71.01401	0.1
99.00883	0.1
101.02436	0.6
105.03310	0.1
139.04057	0.1
147.04549	0.3
209.11803	0.1
211.05931	0.1
215.03093	0.1
326.39246	0.1
413.68079	0.1
420.52908	0.1
591.21289	0.1
733.25037	0.5
734.24969	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	828.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.1
61.98831	100.0
62.98534	0.1
62.99255	0.1
64.68008	0.1
84.29433	0.1
99.00904	0.2
101.02451	0.2
103.02889	0.1
106.84135	0.1
121.02915	0.1
145.02995	0.1
147.04541	0.2
164.38356	0.1
169.63043	0.1
750.33319	0.1
799.41974	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	826.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
71.52110	0.2
71.52452	0.2
71.54176	0.2
78.95921	0.3
81.20830	0.2
99.92591	0.3
105.35162	0.2
116.92879	1.7
117.92891	0.5
127.41379	0.2
134.89500	0.6
144.98332	0.2
172.50368	0.2
173.03572	0.2
277.21777	0.6
407.00241	0.2
781.42322	0.3
827.42957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.37635	0.6
61.98831	71.8
71.01381	4.7
72.99311	3.6
75.00872	1.8
83.05032	0.9
85.02946	0.8
87.00897	0.9
88.98833	2.3
89.02469	0.8
93.03533	0.7
95.05051	0.9
96.96015	4.7
97.02988	0.9
99.00884	14.1
99.04534	1.4
101.02453	0.9
102.02781	0.8
103.00381	1.3
105.01971	1.4
111.04572	1.2
111.08157	0.7
116.92886	2.4
117.03463	12.4
117.04179	1.0
119.03551	1.0
119.05027	10.1
121.02958	39.2
122.86522	0.6
123.04588	1.4
134.03781	1.2
145.02954	31.8
146.03340	1.7
147.04556	5.0
149.06096	1.3
152.48705	0.7
159.04517	0.7
162.03246	0.9
163.04024	11.6
171.10323	1.3
175.04037	1.0
191.01668	0.7
193.05075	2.6
194.05774	0.8
209.11824	1.0
210.06842	3.3
225.09187	3.9
229.65147	1.0
264.07901	0.8
309.20898	1.0
335.16110	0.7
341.10483	2.6
425.16095	0.9
467.16074	0.7
473.18365	0.8
485.27985	0.8
553.24927	2.7
559.23669	2.0
583.20819	0.9
615.26086	1.3
619.22412	2.0
637.23511	1.7
643.25555	7.7
644.25867	1.1
675.28052	56.5
676.28479	10.2
723.24683	3.4
743.15070	0.8
767.26239	1.0
795.27100	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	826.293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
61.98830	100.0
62.98537	0.1
69.29492	0.8
69.29902	0.2
75.00862	0.7
88.00422	0.2
88.98806	0.2
96.96008	0.5
98.20141	0.5
98.94296	0.1
99.04518	0.2
121.02996	0.3
137.89961	0.1
147.04541	0.4
154.99883	0.2
157.26573	0.1
173.00969	0.3
194.76416	0.1
195.13956	0.4
209.11832	0.2
216.16895	0.1
223.13347	0.2
233.14424	0.1
239.12762	0.2
414.08405	0.1
443.10294	0.1
781.83044	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	826.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98830	100.0
62.98531	0.2
81.94820	0.1
83.47278	0.1
83.47887	0.1
93.53339	0.1
99.00917	0.1
109.54212	0.1
147.04556	0.3
148.04932	0.1
153.38840	0.1
157.67297	0.1
162.83395	0.1
172.85429	0.1
195.91039	0.1
201.92146	0.1
209.12029	0.1
243.19783	0.1
302.39178	0.1
463.12848	0.1
680.21954	0.1
830.37152	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	825.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	1.2
59.01379	100.0
60.01710	0.8
61.98829	2.1
69.03462	2.7
71.01380	40.3
72.99316	1.2
73.02948	10.7
81.03474	1.6
83.01379	6.8
83.01812	0.6
85.02951	21.2
85.03477	1.2
86.00093	1.6
86.03314	0.9
87.00858	4.1
87.68035	0.7
89.02447	8.4
95.01388	5.4
97.02964	4.3
98.19883	1.7
98.20575	2.8
99.00880	4.1
101.02440	20.9
111.00892	1.8
112.01710	2.2
113.02445	24.7
115.04025	0.8
116.39036	0.7
116.92879	0.9
119.03494	2.1
124.01663	5.2
125.02453	14.6
131.03500	0.8
142.02740	1.0
143.03487	6.8
147.04559	1.8
159.03052	1.1
161.04570	4.7
173.00891	0.7
179.05592	1.2
229.51595	0.7
283.26462	1.4
329.30511	3.1
473.34787	8.0
474.35672	0.9
491.35773	6.6
492.36145	1.3
569.37140	0.8
581.37146	2.3
599.37665	3.3
606.84888	0.9
617.38983	31.5
618.39026	5.6
635.40070	55.9
636.40405	9.1
653.41168	16.1
654.41943	1.8
677.29639	1.7
677.41187	32.4
678.41583	4.6
695.42230	39.3
696.42438	8.6
733.25739	0.8
737.43091	7.8
738.43805	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98832	28.9
69.03448	2.9
69.03970	0.8
71.01384	37.3
72.99297	3.4
73.02953	7.7
75.00879	2.0
81.03482	1.6
83.01399	6.4
85.02467	1.2
85.02950	20.8
86.00112	1.6
87.00400	0.8
87.00866	4.3
87.01314	0.8
88.98817	2.5
89.02441	6.7
90.54540	0.9
95.01384	4.5
96.96002	1.4
97.02945	4.6
99.00893	10.8
99.04507	1.5
101.02442	34.5
102.02725	1.2
107.05042	1.1
111.00857	3.0
111.04525	1.8
112.01680	2.0
113.02452	20.5
115.00355	1.1
115.03984	0.8
115.18499	0.8
116.92828	1.8
119.03526	1.4
121.02976	4.5
124.01659	4.0
125.02440	14.7
127.03949	0.9
134.03694	1.0
141.01857	1.2
143.03513	5.9
147.04517	10.3
149.51657	1.0
159.02951	1.3
160.84222	4.4
161.04541	3.7
171.10291	1.1
175.04012	1.0
193.04968	1.8
209.11760	1.8
210.06828	1.0
211.06117	1.5
225.09245	2.2
281.24957	0.9
283.26349	2.3
329.30649	4.5
473.34842	8.1
491.35892	7.1
492.36472	1.2
557.36603	1.0
581.36792	2.1
599.37854	2.6
617.39044	29.3
618.39386	5.1
635.40106	62.6
636.40338	9.7
653.29871	1.3
653.41052	19.8
654.40955	3.1
677.41193	21.3
678.41559	4.4
695.42255	34.4
696.42230	5.0
733.24854	3.7
734.24518	1.6
737.43372	5.2
738.43237	1.3
826.28601	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
71.01371	0.1
73.02942	0.1
79.95293	0.2
79.95721	4.8
80.94270	0.1
95.95271	0.1
96.96009	75.0
97.95946	0.2
98.20654	0.3
98.95595	0.4
112.82458	0.1
119.05004	0.3
120.05357	0.1
122.97611	0.1
197.27751	0.1
289.11133	100.0
290.11462	6.5
291.11038	0.3
307.99008	0.1
332.54819	0.1
367.93051	0.1
380.39810	0.1
699.60913	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	825.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01702	1.0
61.98829	2.3
65.26960	0.5
69.41682	1.9
69.42101	1.5
71.01389	1.5
91.01714	0.4
98.20673	1.0
99.00866	3.3
135.07484	0.5
147.04526	13.0
171.04555	1.9
233.09698	0.5
633.28735	2.3
648.02374	0.5
689.27979	2.2
715.29443	2.5
747.31622	2.7
748.32306	0.6
765.32654	7.0
766.33539	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	74.0
61.98536	2.8
61.98833	32.7
71.01394	8.1
71.52959	2.0
71.53301	2.4
72.99302	4.3
73.02967	3.9
83.01410	1.4
83.05012	2.4
84.02155	2.1
85.02950	13.5
87.00890	8.9
87.04506	2.4
87.99020	1.5
88.98803	3.5
89.02438	2.9
96.96017	11.4
99.04565	2.5
101.02451	2.5
111.00867	9.4
113.02409	2.2
115.00385	1.8
116.92878	17.7
121.02916	2.3
125.04967	1.4
146.89867	1.6
151.11267	3.8
209.11739	1.8
279.16019	1.8
327.21591	1.9
385.27469	6.4
411.25186	2.1
413.26984	2.6
473.29053	100.0
474.29337	16.3
517.27936	15.5
518.28174	2.6
535.29102	1.9
559.29126	11.7
560.30737	1.5
577.30157	83.1
578.30414	11.5
583.25122	1.6
619.31311	5.3
623.25739	1.8
655.27136	5.3
673.28705	10.2
721.34308	6.2
781.36493	19.0
782.36469	5.3
825.39368	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	825.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.3
61.98830	8.7
67.01899	0.7
68.17500	0.6
68.99813	1.1
69.03448	2.3
71.01380	8.7
72.99306	3.9
73.02933	0.9
75.00864	1.4
81.03458	1.2
83.05033	1.8
85.02954	4.9
87.00874	2.1
93.03461	3.1
95.01374	0.9
95.05026	1.9
96.95963	0.8
97.02939	2.6
98.20728	1.0
99.00878	22.0
99.04564	1.5
101.02441	100.0
102.02785	1.6
103.05538	1.4
107.05043	1.8
108.02155	0.9
109.02931	2.3
109.06565	0.7
110.46545	0.6
111.04538	7.0
113.02451	1.4
115.00357	0.8
116.92858	1.6
119.05043	1.6
121.02959	6.2
121.06573	2.1
122.03737	0.7
123.04546	4.0
124.54697	0.6
125.02430	2.3
127.04012	2.2
129.07045	0.9
133.06529	0.9
134.03761	2.2
135.04515	1.5
137.02383	0.7
137.06094	2.1
139.04037	1.1
147.04521	45.3
148.04839	1.3
149.06081	4.1
151.03963	2.3
160.01671	1.1
161.06053	1.2
165.05560	3.6
171.10228	1.1
173.06030	0.8
175.03978	2.3
175.07645	0.8
177.05484	1.5
193.05051	7.5
194.05859	2.4
201.11389	0.8
210.06892	2.2
211.06021	4.2
225.09244	2.0
235.07608	0.8
274.25208	0.7
293.11804	0.9
309.20602	1.2
437.16174	0.8
473.18094	1.1
491.18958	0.9
513.17920	1.7
539.19513	0.9
557.20508	0.9
575.21948	1.8
603.21741	1.1
687.24658	2.7
705.25421	0.9
722.67426	0.7
733.24994	24.0
734.25214	3.7
825.27747	8.1
826.28839	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.4
61.98830	34.7
69.03453	2.1
70.53090	2.6
70.53435	1.7
71.01369	8.4
72.99310	3.3
75.00869	1.9
77.79105	1.0
79.95731	1.9
83.01389	1.3
83.05022	1.2
85.02952	5.8
87.00884	3.5
88.98824	1.8
93.03451	3.2
94.98080	5.7
95.05009	2.1
96.96007	3.0
97.02943	1.9
99.00874	17.1
99.04519	2.2
101.02444	100.0
102.02783	1.7
103.00366	1.2
107.05028	2.1
109.02959	2.5
109.60095	0.9
111.04527	5.2
111.86169	1.0
113.02469	2.2
116.74731	1.0
116.92867	2.0
119.05034	1.3
121.02963	10.0
121.06606	2.7
123.04515	4.4
125.02452	1.9
125.70064	0.9
127.04050	1.1
135.04514	1.2
137.06055	1.7
139.04039	1.5
147.04524	44.2
148.04848	1.1
149.06082	4.0
151.03970	2.9
157.06621	1.1
161.06044	1.9
165.05583	5.2
167.03520	1.0
167.19322	1.0
171.08124	1.1
171.10306	1.3
176.04773	1.5
177.05591	1.9
187.07550	1.0
193.05067	7.2
194.05815	8.2
209.11801	2.7
211.06075	5.7
211.13390	11.1
244.10741	1.2
353.00647	1.1
483.18021	1.1
497.18979	1.4
513.17456	3.5
539.19519	1.6
557.19995	1.6
575.21173	1.6
635.39966	2.6
644.62042	1.3
669.22919	2.2
677.41321	2.5
687.24213	5.3
695.42291	1.7
705.25275	10.5
706.24811	2.0
733.24835	7.1
734.25714	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	825.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	36.4
61.98506	2.1
61.98829	42.7
65.02995	1.1
69.03456	1.6
71.01381	17.6
72.99302	5.0
73.02955	3.8
75.00854	2.6
83.01377	3.3
83.05037	2.4
85.02952	10.8
87.00871	4.5
88.98803	3.5
89.02442	3.0
93.03473	3.0
95.01394	2.7
95.05015	2.5
96.96017	7.6
97.02950	3.4
99.00876	31.7
99.04523	3.8
99.92512	1.4
101.02441	100.0
101.06052	3.2
102.02769	2.2
103.00369	2.4
107.05003	2.8
109.02937	2.9
111.04522	5.6
113.02454	7.3
115.00347	1.6
116.92841	2.7
121.02946	9.8
121.06582	3.6
123.04491	5.2
124.01622	1.2
125.02463	5.5
133.01459	1.4
134.03677	2.1
135.04492	2.0
137.06030	1.8
139.03973	3.4
143.03514	1.5
147.03366	2.6
147.04521	46.9
149.02438	1.2
149.06056	4.1
151.04001	3.4
151.19957	1.2
151.92038	1.3
154.99860	1.1
160.84271	3.1
161.06046	1.9
163.07716	1.3
165.05551	2.9
167.03465	1.8
171.10240	3.0
176.04582	1.4
177.05553	1.4
193.05072	6.5
194.05734	2.7
209.11842	1.5
211.06010	6.3
283.23184	1.3
309.20505	1.6
409.09933	1.2
437.15997	1.4
473.18152	2.7
491.35672	3.0
547.22205	1.3
575.21423	5.6
576.21771	2.1
603.21295	2.1
617.39032	7.4
635.40063	16.8
636.40295	1.8
645.29358	1.8
653.41150	4.5
677.41107	5.8
687.24469	2.4
695.42041	11.1
705.25647	1.5
733.24799	21.2
734.25220	4.6
737.41711	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.9
61.65483	1.0
61.98830	19.1
69.03475	1.5
71.01373	11.8
71.07639	2.2
72.19661	1.0
72.99301	4.7
75.00863	3.0
83.05055	1.3
85.02937	6.9
87.00883	3.1
88.98799	5.1
89.02479	1.3
93.03429	2.2
95.01348	1.1
95.04992	1.3
96.95998	2.6
97.02947	2.2
99.00873	25.8
99.04504	2.9
99.92552	1.2
100.72989	1.0
101.02443	68.5
101.06145	1.3
102.02819	1.3
103.00380	1.2
105.01913	3.7
107.05000	2.2
111.04480	4.8
113.02431	2.3
115.00346	1.3
116.92873	6.0
119.05006	2.1
121.02981	6.8
121.06586	1.7
123.04538	2.1
124.98688	1.1
125.02432	2.5
125.06105	1.1
127.04018	1.7
137.02414	1.3
137.06026	1.9
139.03949	1.7
142.99883	2.1
147.04520	100.0
148.04829	3.8
149.06021	2.9
151.04013	1.4
154.99927	1.2
165.05495	2.0
167.03539	1.8
171.10103	1.7
173.00888	2.5
177.05452	1.4
187.11299	1.9
193.05003	4.6
194.05869	1.5
209.11758	1.9
225.11177	2.3
252.28441	1.1
381.65576	1.1
400.87460	1.0
469.25854	1.2
473.18365	1.5
491.19193	27.0
492.19565	3.0
635.40881	1.2
733.24957	46.0
734.25208	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	825.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22243	0.4
58.54256	0.4
59.01376	8.0
59.32192	0.5
71.01016	0.5
71.01381	7.5
71.54057	0.6
72.99294	1.5
73.02938	1.2
82.22923	0.4
83.01380	3.0
85.02948	8.4
87.00876	5.1
89.02435	3.5
93.03483	0.5
95.89531	0.5
96.95992	1.1
99.00881	5.2
99.04514	1.0
101.02438	3.3
102.63632	0.4
103.04019	0.5
107.05043	0.7
109.02966	4.3
111.00866	1.5
113.02448	2.9
114.02855	0.4
115.00375	12.8
119.03495	1.2
119.05015	3.3
120.18674	0.5
121.02961	0.8
121.06635	0.6
123.00908	0.5
123.04556	0.7
125.02422	1.0
127.00355	1.5
129.01958	2.6
133.02959	5.4
134.03693	0.5
135.04507	2.4
137.02390	0.5
139.00388	0.8
145.02934	0.6
147.02992	1.5
147.04520	2.7
148.05336	1.1
149.06071	18.2
150.03262	0.5
151.04007	0.8
155.03516	0.6
157.01472	0.6
159.02995	0.5
159.04465	1.6
161.02435	21.1
161.04570	1.1
161.06076	1.9
162.02769	1.2
163.03987	3.9
165.01965	0.8
165.05566	1.1
167.07184	0.5
171.04518	0.7
174.03185	1.9
175.02452	20.7
175.03975	7.4
176.02902	0.6
177.01927	10.6
177.05539	0.8
179.03464	1.1
179.05583	0.5
180.04257	0.7
181.05043	0.7
185.05998	0.6
187.03990	3.6
188.04671	0.8
189.05562	3.2
190.02664	0.7
191.01923	0.9
191.03497	1.2
193.05049	5.3
195.03026	0.6
195.06624	1.0
201.05573	1.0
203.03488	1.9
203.07294	0.5
204.04056	0.5
205.03502	0.9
205.05077	1.8
206.02176	1.2
209.03036	0.6
211.06149	0.5
213.05548	1.0
215.03542	3.8
215.06941	0.6
216.03992	0.6
219.02979	8.8
219.06529	0.6
220.03297	0.5
223.04553	0.8
225.07666	1.7
229.05095	1.1
231.03123	0.6
231.06575	1.7
232.03960	0.5
233.04521	9.9
237.04028	14.4
238.04324	0.8
245.04449	1.1
247.06073	1.2
249.07628	1.9
257.04620	0.6
265.09305	1.0
273.07916	0.5
275.05536	3.5
277.03519	5.4
293.06732	4.3
319.04510	2.2
335.07700	0.6
337.05530	30.4
337.14633	1.0
338.05902	2.1
455.11841	1.9
456.12247	0.7
499.10916	100.0
500.11313	10.0
757.62543	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99273	0.8
59.01379	37.5
61.98831	25.4
71.01374	9.4
72.99309	2.2
75.00870	2.2
78.34814	0.9
81.03416	1.1
83.05038	2.2
85.02957	3.4
87.00871	1.6
93.03462	2.8
95.05035	2.5
97.02946	1.7
99.00881	29.5
99.04516	23.7
101.02441	1.9
103.00368	2.6
103.05518	1.6
107.05020	1.4
109.02960	2.1
111.04504	5.8
119.05016	3.0
121.02966	6.1
121.06606	2.5
121.84028	1.0
123.04523	4.0
125.02387	1.4
127.04032	2.1
137.02425	1.2
137.06071	1.6
137.95776	0.9
140.42427	1.0
147.04518	100.0
148.04848	4.3
149.06088	4.1
150.03249	1.0
151.03986	2.9
165.05540	2.4
167.07098	1.0
172.21518	1.1
173.00862	1.3
175.07677	1.2
177.05672	1.1
185.06001	1.0
185.09657	1.3
187.11298	1.2
193.05031	4.4
194.05838	2.7
197.84232	1.0
204.27666	1.0
205.08640	1.2
209.11810	4.8
211.06099	3.5
217.08478	1.2
243.10463	1.1
309.20685	3.0
473.18173	4.0
491.19165	4.2
577.20355	1.4
586.22974	1.0
603.22491	3.5
621.23547	2.5
685.25659	1.6
703.28082	1.3
731.27045	25.8
732.27026	4.9
823.43073	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	823.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01716	0.8
61.80519	0.8
61.98832	50.4
64.51141	0.8
69.03456	2.7
71.01384	44.4
71.05024	1.4
72.01736	1.2
72.99299	3.4
73.02950	11.6
75.00842	1.6
80.96491	1.0
81.03449	1.3
83.01386	8.7
85.02953	26.5
85.03468	1.3
86.00086	2.1
87.00864	5.5
88.98816	2.1
89.02446	6.6
95.01405	4.9
96.96042	5.0
97.02962	5.5
99.00883	5.8
99.04513	2.2
101.02445	27.5
111.00896	2.5
112.01665	2.7
112.23363	0.9
113.02455	21.2
116.92861	8.0
119.03532	1.4
119.87816	0.8
121.02930	1.6
124.01660	4.6
125.02454	10.8
127.11261	1.1
129.01944	1.5
141.01888	1.2
143.03523	5.8
159.02975	1.8
161.04602	6.3
171.10287	1.5
185.48228	0.8
201.11362	1.0
209.11983	1.2
211.13354	1.1
227.09444	0.9
297.27960	1.7
309.28009	1.5
311.29648	0.8
327.29025	2.5
453.32138	1.6
469.28781	0.8
471.33304	13.3
472.33417	1.6
483.56369	1.0
489.34518	7.5
579.35095	2.4
585.36694	1.4
597.36450	3.2
615.37396	22.9
616.37817	3.4
633.38574	54.7
634.38757	7.5
639.36169	1.0
651.39478	17.1
652.39618	1.9
675.39575	15.0
676.39777	3.0
693.40686	34.5
694.40997	5.2
732.33783	1.0
735.41949	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	823.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
70.31009	0.3
70.31387	0.3
70.63689	0.1
71.01385	0.3
85.02946	10.3
86.03297	0.2
89.02436	0.2
95.37819	0.1
96.96024	0.2
98.20037	0.2
98.69872	0.1
101.02439	7.9
102.02795	0.2
103.04008	6.0
108.02176	0.2
129.01939	54.7
130.02249	1.2
133.01273	0.1
133.02962	2.2
134.03745	0.1
135.04524	2.6
147.02991	100.0
148.03326	2.1
152.01208	0.2
161.02434	1.9
162.02940	0.1
165.05560	0.2
177.01938	1.0
178.02513	0.1
179.03500	5.7
180.04012	0.2
193.05121	0.2
220.03769	0.5
235.06223	0.3
258.44263	0.2
265.07120	0.9
307.12253	0.2
309.06125	6.4
310.06549	0.5
374.59747	0.1
469.13501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.6
60.01754	0.2
71.01380	3.0
71.53695	0.4
73.02949	0.6
73.69136	0.2
79.95773	0.2
83.01385	0.3
85.02946	11.2
86.03288	0.4
89.02447	0.8
93.03458	1.1
96.96008	5.1
101.02439	9.0
102.02769	0.2
103.04005	6.3
111.00865	0.3
113.02441	0.6
115.00383	1.4
117.03457	0.7
119.03478	0.3
119.05028	0.3
121.02953	0.2
122.03722	0.3
125.02412	0.3
129.01939	58.1
130.02299	1.5
133.01448	1.7
133.02956	2.1
134.03748	7.3
135.04543	2.7
138.05627	0.7
139.06001	0.2
145.08716	0.5
147.02988	100.0
148.03339	2.4
149.02449	0.4
149.06094	0.6
150.03220	0.4
151.00320	0.3
151.04036	0.2
153.01955	0.4
161.02422	2.2
161.04532	0.4
163.04002	0.4
163.06168	0.3
165.01909	0.2
165.05563	0.6
166.02637	0.4
168.04280	0.4
177.01913	0.9
178.02621	0.7
179.03503	6.2
181.04947	0.4
183.06674	0.3
191.01839	0.3
193.05045	13.9
194.05400	0.5
195.06595	0.3
259.29303	0.2
260.03473	0.3
301.07379	0.2
305.11414	0.3
307.14172	1.1
308.14252	0.7
309.06168	11.7
309.13727	5.1
310.06503	0.7
310.14154	0.4
385.11496	0.3
391.19815	0.4
394.38562	0.2
399.44775	0.2
401.17743	0.3
575.21039	0.3
625.14246	0.2
761.44171	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
59.93830	0.1
60.76049	0.1
61.98830	100.0
62.76740	0.1
62.98532	0.2
69.15044	0.7
69.15465	0.2
71.01395	0.3
79.30736	0.1
80.96528	0.2
96.96024	0.2
97.93041	0.1
98.20688	0.2
100.01102	0.1
139.93912	0.1
178.99908	0.2
246.44096	0.1
481.15683	0.1
555.19275	0.3
593.71564	0.1
659.23639	0.2
731.36566	0.1
821.41205	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01711	0.8
61.28898	0.1
61.98830	4.0
68.99563	0.2
71.01374	0.8
73.02967	0.2
83.01414	0.2
85.02928	0.6
87.00897	0.2
93.41690	0.1
96.96028	0.2
98.19951	0.3
98.20638	0.4
99.00882	0.2
99.04549	0.3
101.02460	0.5
113.02471	0.3
121.03017	0.1
123.08117	0.2
147.04538	0.2
150.12347	0.1
161.04581	0.5
167.37656	0.1
259.60364	0.1
262.74210	0.1
328.37982	0.1
366.02228	0.1
400.79654	0.1
527.33899	0.4
559.32928	0.2
593.04498	0.1
701.39069	1.3
702.39734	0.3
719.40497	0.4
761.40289	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	819.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29202	0.3
59.01379	1.5
60.99305	19.0
61.98831	6.8
67.95295	0.3
71.01390	0.5
85.02935	0.4
85.69077	0.4
88.98804	100.0
89.99132	1.0
96.96002	1.1
101.58534	0.3
104.83335	0.3
112.98600	0.6
131.71408	0.4
150.30878	0.3
164.13281	0.3
197.53600	0.3
198.67227	0.3
209.11809	1.2
210.49091	0.3
211.13405	0.4
227.12915	0.3
249.44189	0.3
252.52126	0.3
462.01563	0.3
621.78387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
60.99308	19.3
61.98833	3.2
68.99571	0.2
69.26610	0.3
69.27005	1.4
71.01385	0.8
79.27289	0.2
80.96555	0.2
85.02971	0.4
88.98807	100.0
89.99146	0.8
92.62061	0.2
96.96014	1.0
99.04524	0.6
101.02410	0.4
112.98597	0.2
113.02469	0.3
113.91565	0.2
115.00383	0.2
120.99715	0.3
121.02987	0.3
133.01379	0.3
134.03748	0.3
147.04517	0.2
187.90395	0.2
195.80429	0.2
200.39372	0.2
209.11765	1.2
211.13382	1.0
214.76213	0.2
227.12843	0.3
379.12167	0.2
397.13623	0.5
417.80161	0.2
637.26947	0.2
657.68640	0.2
819.37360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02134	0.6
59.01368	0.7
61.98828	32.0
69.86629	0.6
71.01420	0.7
71.02501	0.7
71.40029	0.6
71.52492	0.8
71.61589	0.5
78.95869	0.8
80.96494	1.0
82.06635	1.2
84.08892	0.8
87.05715	4.3
88.04042	1.1
94.06606	1.0
97.29572	0.7
98.02460	0.7
111.02001	0.9
112.07660	1.4
116.04979	0.7
118.06641	1.1
121.04071	1.1
127.08755	0.7
129.10339	17.5
130.08723	2.5
130.10648	0.8
139.08786	3.2
140.07199	3.4
140.45850	0.7
146.06081	2.4
150.13834	0.6
153.10358	1.5
155.08292	3.4
155.11856	1.4
159.10202	0.8
164.09541	3.7
165.10291	3.8
167.08298	0.9
171.32796	0.6
180.11317	1.0
182.12976	2.4
183.11362	1.8
195.14983	1.9
197.16597	4.0
199.18246	0.7
200.14064	5.0
207.15016	14.0
214.12511	0.7
224.17653	6.3
225.16049	3.7
241.13416	2.6
242.11778	1.7
242.18707	10.8
259.14438	4.5
268.16656	1.6
268.20349	0.8
269.16623	0.7
276.16949	1.5
295.21399	6.9
300.66180	0.8
312.17191	2.0
313.22375	3.9
329.19794	1.6
330.18231	2.6
337.26105	7.2
347.20819	0.9
355.27164	4.3
365.28775	0.7
371.24548	1.2
389.25208	0.8
426.30905	1.0
443.26257	1.0
539.39203	2.8
573.37738	2.4
613.22479	0.7
782.51819	100.0
783.52185	21.6
818.49774	12.2
819.49945	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	819.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
59.01381	7.2
61.98830	12.9
62.79415	1.2
68.99568	4.0
69.03413	1.4
69.20368	12.6
71.01387	11.6
72.99299	2.7
73.02937	9.8
80.91663	3.7
83.05017	1.6
85.02937	2.6
87.00876	14.9
88.98770	2.0
89.02438	4.8
93.03423	1.7
95.05048	2.1
96.95985	3.1
97.02962	1.5
98.19886	3.1
99.00865	9.2
99.04533	1.7
101.02412	4.4
109.02959	1.4
111.04509	4.2
112.98551	5.6
113.02425	2.4
115.00365	1.2
117.03469	1.2
119.03500	100.0
121.02935	4.0
121.06586	1.9
123.04496	3.4
125.02457	1.7
147.03375	2.7
147.04523	47.5
148.04848	1.3
149.06056	2.2
151.03947	1.6
159.11916	1.1
165.05499	1.8
174.63309	1.2
177.05518	1.8
180.83739	1.3
187.11241	1.9
193.04984	4.3
200.74673	1.2
201.05414	1.6
205.08583	1.4
209.11789	10.1
211.06087	2.0
211.13364	9.5
219.06735	1.3
227.12859	3.0
249.07698	2.0
291.83881	1.5
382.10110	1.3
397.13528	2.8
473.18246	6.6
474.18121	1.5
491.19223	76.6
492.19638	9.6
593.22375	2.6
621.21576	6.1
723.26202	1.8
751.26666	10.1
752.25946	1.9
819.25464	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	818.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
60.99315	0.1
61.98830	100.0
62.98532	0.1
71.01388	0.6
79.13457	0.1
80.96533	0.4
82.96086	0.2
85.02979	0.2
87.00899	0.2
87.48318	0.1
88.98828	0.4
89.02467	0.3
94.98071	0.1
96.96035	0.5
98.20076	0.5
99.04550	0.4
101.02465	0.2
106.22500	0.1
121.02971	0.2
132.57961	0.1
147.04547	0.3
164.42918	0.1
184.92342	0.1
207.10289	0.3
208.10587	0.2
209.11891	0.4
211.13345	0.6
225.11369	0.3
226.11649	0.1
286.38983	0.1
304.07562	0.1
307.25757	0.1
397.13431	0.1
470.31039	0.1
515.86084	0.1
596.16333	0.1
663.28271	0.2
800.38409	0.2
817.50854	0.3
818.39026	0.3
818.51184	0.4
819.40503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98516	0.1
69.36574	0.7
71.45920	0.1
78.95921	0.1
80.96516	0.2
98.19859	0.1
98.20545	0.3
99.07450	0.1
124.67391	0.1
135.42395	0.1
162.19931	0.1
175.54253	0.1
209.11874	0.2
210.12192	0.1
224.40195	0.1
246.13347	0.1
277.21671	0.2
819.42706	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96367	1.0
59.01362	3.6
59.30970	0.9
59.68996	0.9
61.98829	100.0
71.01379	63.5
71.07314	1.1
71.09859	1.0
75.00867	17.7
78.95888	1.1
80.96513	2.4
85.02943	2.3
88.98834	1.4
89.02451	1.3
90.49319	0.9
101.02428	2.1
102.45411	1.0
127.11270	1.3
132.12276	1.1
161.04599	1.4
171.10269	40.7
199.09691	4.2
201.11279	2.8
207.10291	4.8
209.11815	3.7
225.11282	3.5
235.08267	2.6
253.09229	4.3
277.21710	57.1
278.22040	4.4
291.19778	1.3
407.19339	1.2
415.38492	1.3
721.41913	1.9
817.49762	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	817.459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.3
60.99313	1.3
61.98830	100.0
68.84941	1.0
69.99004	4.7
71.01382	56.4
75.00875	17.0
78.95901	1.7
81.65842	1.1
89.02448	1.8
91.31010	0.8
98.19957	1.3
98.20522	2.3
101.02459	2.1
101.67776	0.9
108.78477	1.0
109.06590	2.8
124.91039	0.9
163.11276	1.8
171.10268	39.7
172.10709	1.2
178.63228	1.0
182.27457	1.1
189.09219	1.1
199.09709	4.5
201.11281	3.1
207.10217	4.7
209.11786	4.0
225.11308	3.5
235.08118	2.0
253.09143	5.9
253.29988	1.0
277.21704	52.0
278.22046	3.8
291.55176	1.0
459.63245	0.9
461.19931	1.4
564.19116	1.0
701.49500	1.1
721.41418	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	817.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.1
59.01379	30.2
61.98540	2.0
61.98833	29.4
62.90162	1.2
71.01381	20.0
71.54060	1.8
72.01762	1.1
72.99325	9.4
73.02940	4.5
78.95901	1.5
79.95735	2.4
80.96516	3.0
83.01368	1.7
83.05023	1.9
84.02151	15.7
85.02960	16.5
85.43539	1.3
87.00875	28.4
89.02437	8.5
95.01383	6.1
96.96009	18.1
97.02934	1.7
99.04513	5.5
101.02443	9.1
109.06611	1.3
110.00069	2.1
112.01682	1.6
113.02456	27.4
115.00394	1.6
116.07180	3.1
118.33909	1.3
119.03457	1.8
125.02459	1.7
131.03461	1.4
143.03470	4.6
144.48213	1.2
150.03244	1.8
160.01707	1.4
161.04558	11.1
161.13258	1.5
163.11246	2.5
165.05542	2.2
167.08264	2.2
181.12294	2.5
187.11203	3.2
191.10739	1.1
195.06546	1.3
205.12408	2.6
207.10219	3.4
209.11833	9.5
211.13277	2.0
225.11345	7.6
241.01108	1.7
249.11339	2.8
277.14380	2.8
278.15195	5.0
310.14087	1.5
385.24243	1.2
397.13351	3.7
401.23300	3.1
405.21542	2.1
411.25162	1.6
429.17758	2.3
429.26257	4.3
443.24438	1.5
455.23950	2.3
471.27625	12.6
473.25516	12.1
474.26190	1.7
487.26971	11.5
497.26157	1.8
515.26495	63.7
516.26788	8.1
529.28040	28.8
530.28174	4.3
557.27539	100.0
558.27814	14.8
562.79907	1.4
587.28705	10.1
588.28967	1.7
617.29645	15.9
637.28424	5.8
638.29187	1.8
655.70862	1.3
677.31860	3.8
687.36072	1.6
721.31030	11.3
722.31543	1.9
781.34131	4.7
799.37134	11.8
810.49371	1.5
817.36249	28.7
818.36829	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	815.498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01377	1.3
63.96237	2.2
69.03449	0.9
69.56004	1.5
69.56438	0.9
71.01381	9.8
71.45981	0.5
72.99279	0.5
73.02940	2.4
75.34250	0.4
78.98582	7.9
79.95733	18.2
80.85718	0.3
80.96514	98.2
81.03435	0.5
81.96452	0.5
83.01369	0.6
85.02955	4.0
87.00882	3.1
94.98084	22.2
95.01380	0.6
95.33905	0.4
96.96015	1.6
97.02950	2.2
98.13038	0.4
99.00864	0.6
101.02436	3.0
106.98078	4.3
109.19260	0.4
113.02458	0.6
122.97590	4.2
125.02458	3.6
127.04005	1.7
134.97586	5.6
136.99155	1.8
148.99141	7.8
149.00331	0.5
150.97058	0.4
152.98647	6.8
164.98627	14.7
167.00153	0.6
206.99683	3.4
225.00734	21.6
226.01157	0.7
255.23248	1.7
277.21686	0.9
389.40897	0.4
455.65073	0.4
537.27130	1.8
559.25824	2.1
662.20117	0.5
693.71136	0.4
815.49774	100.0
816.50134	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	815.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	0.4
59.01377	3.6
61.98821	1.5
71.01376	3.2
71.29563	0.9
73.02927	0.7
78.95899	4.9
79.95748	0.6
80.02676	0.9
80.96517	2.9
81.03438	0.6
83.01366	0.5
83.05032	3.6
84.02177	0.5
85.02926	0.6
87.00877	1.2
89.02440	2.0
94.98074	0.6
95.05019	0.8
96.96964	1.3
101.02458	2.4
113.02436	1.1
122.97622	0.5
129.62418	0.4
145.05186	0.4
151.36491	0.4
152.99658	0.8
161.04613	0.9
163.11293	2.9
164.98590	0.5
165.12843	1.6
170.77167	0.4
171.10286	3.9
179.05566	0.6
191.10814	0.7
199.09724	0.5
201.11256	0.5
209.11815	100.0
210.12149	4.7
218.87947	0.4
220.89825	0.3
225.00726	0.7
225.11273	0.5
227.12883	11.2
228.13120	0.6
235.08211	3.8
241.01111	2.6
253.09229	7.6
255.23277	3.4
277.21704	80.7
278.22003	6.8
445.20566	3.5
446.21533	0.6
503.72394	0.4
513.30762	1.3
725.38849	3.4
726.39795	0.6
797.40918	3.2
798.41467	0.9
815.38574	0.6
815.50281	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	815.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
63.96242	1.7
64.41794	0.4
69.03463	0.5
70.00702	0.6
70.01112	1.5
71.01010	0.7
71.01384	9.5
73.02953	1.4
78.98599	6.8
79.95734	16.5
80.96518	85.5
81.03467	0.9
83.01412	0.7
85.02955	3.0
87.00884	3.4
94.10036	0.4
94.98087	19.9
95.01389	0.6
96.96018	1.7
97.02950	1.8
99.00874	0.7
101.02442	2.6
106.98119	3.1
113.02492	0.4
121.18208	0.4
122.97595	3.8
125.02436	3.4
127.04019	0.9
134.97592	6.4
136.99138	1.4
146.97609	0.4
148.99139	8.6
152.98628	7.6
164.98619	13.8
167.00116	0.8
188.98531	0.5
206.99652	2.8
225.00745	17.4
226.01178	0.4
230.78528	0.4
255.23314	2.2
277.21643	0.9
537.27423	1.9
559.25781	1.8
734.76721	0.5
815.49847	100.0
816.50171	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	815.355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	51.9
57.11384	0.3
58.03780	0.6
59.01378	52.8
60.91738	0.3
66.42352	0.3
71.01384	11.7
72.99302	0.7
73.02948	4.5
75.00872	0.5
81.03450	1.0
83.01387	2.3
84.04360	0.3
85.02951	8.2
87.00900	0.6
89.02444	3.3
95.01400	0.6
97.02967	1.0
98.20642	0.9
99.00880	2.4
99.04517	48.4
100.04870	0.6
101.02441	21.8
103.04014	2.3
109.02986	0.3
111.00882	0.3
113.02441	5.1
115.91906	0.3
117.97289	0.4
118.98062	0.5
119.03519	1.0
119.05038	0.6
120.99580	0.3
125.02446	24.6
126.02794	0.5
129.01949	1.3
135.04495	0.4
143.03487	4.5
144.93604	0.3
147.02995	0.7
147.06619	1.5
153.05470	0.4
159.02994	1.3
161.04544	9.0
175.04030	0.3
179.03435	0.4
179.05736	0.5
191.02022	1.0
191.05592	0.8
209.02974	0.7
220.61864	0.3
233.10353	1.2
251.11342	20.7
252.11661	1.2
257.13632	0.4
265.09259	1.1
293.12402	17.5
294.12799	1.2
333.15521	3.0
351.16602	2.7
395.15543	100.0
396.15915	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	815.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01381	23.5
61.98829	100.0
71.01389	6.6
72.07565	0.7
72.99304	1.0
75.00874	1.7
79.95738	1.6
80.96510	11.6
85.02962	1.5
86.74187	0.9
87.00871	2.8
88.98824	1.0
89.02458	1.0
94.98082	1.9
96.95984	1.9
99.04518	18.5
101.02457	1.2
115.00362	1.8
120.99632	2.0
121.02931	3.7
134.97583	1.0
147.04562	0.9
147.08083	1.0
152.98659	1.5
164.98575	1.7
225.00758	2.8
311.78720	0.9
339.67258	0.8
349.27579	0.9
372.38712	1.1
374.35019	0.9
455.24405	1.2
495.23538	1.0
513.25220	2.4
527.22974	1.5
539.26379	4.3
540.25671	1.1
595.25842	1.7
597.26904	4.6
609.26636	1.5
627.28125	9.8
628.28461	1.8
629.29559	1.3
637.26727	3.7
655.28088	1.1
668.23181	1.0
668.38007	1.1
669.29126	16.0
670.29736	2.2
687.30121	30.4
688.30219	4.7
815.35095	2.1
815.49731	14.4
816.50690	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.1
59.01379	37.2
60.99301	1.1
61.98831	85.2
63.96237	1.6
68.99821	1.8
69.03454	1.2
71.01390	10.8
71.52229	1.3
71.52666	1.7
72.99303	1.1
73.02946	1.9
75.00880	1.6
78.98583	4.3
79.05524	3.1
79.68822	0.9
79.95737	8.2
80.96519	49.5
81.03481	1.8
83.05016	4.0
83.29143	1.2
83.98860	1.1
85.02950	4.5
87.00866	2.5
88.98806	1.7
91.12057	1.2
94.98089	10.8
96.95991	3.3
97.02934	1.8
97.06554	1.5
98.43426	0.9
99.00879	4.0
99.04515	3.0
101.02440	2.5
106.98093	1.8
107.05008	2.6
108.56366	1.1
109.06591	1.6
110.71928	1.0
111.04502	2.3
119.05080	2.2
121.02951	4.7
122.97592	2.5
125.02454	2.5
127.04055	1.9
129.01878	1.2
131.08693	6.3
132.30310	1.1
133.06569	1.0
134.97606	3.7
135.04517	4.3
135.08142	3.3
137.83228	1.1
144.05789	2.6
145.06644	1.1
147.04523	100.0
148.04840	4.3
148.99141	4.4
152.98624	3.1
157.06558	1.5
159.08156	6.1
163.07643	1.3
164.98633	6.6
165.09073	1.4
167.07132	2.7
171.04588	1.7
173.06071	1.9
176.27791	1.1
191.10744	2.8
193.08653	2.0
197.11800	4.2
199.13304	1.0
201.11372	1.3
202.81232	1.0
206.99597	1.7
209.09903	2.3
209.11819	24.8
211.13383	2.5
225.00761	10.1
227.12878	3.4
229.34033	1.0
239.10786	1.5
253.09233	3.0
263.14346	5.2
291.19638	4.2
295.13107	1.4
300.02625	1.7
309.20718	9.7
369.22397	1.1
387.61340	1.1
470.03818	1.1
487.23181	1.3
487.95923	1.0
489.21423	1.7
515.22815	2.1
519.24091	3.2
547.25555	2.7
557.23138	1.6
561.24603	2.4
562.25336	1.7
575.24884	4.3
607.27216	4.6
659.71912	1.2
681.28900	5.8
705.29364	2.2
723.30200	31.7
723.43011	1.8
724.30365	8.2
755.32788	41.8
756.33173	10.4
815.49817	57.4
816.49915	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	814.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
61.98830	100.0
62.98524	0.2
71.01398	0.2
75.00900	0.3
80.91743	0.2
85.02983	0.1
89.18777	0.2
96.96011	0.4
98.20779	0.3
99.00878	0.1
99.04521	0.3
116.92855	0.2
121.02983	0.3
123.09056	0.2
129.01956	0.2
131.06804	0.1
147.04526	0.8
153.02103	0.2
176.73958	0.1
201.95555	0.1
209.11800	0.3
210.13094	0.1
723.30054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.0
60.01714	0.2
61.01815	0.2
61.98829	100.0
62.98539	0.1
69.19694	0.2
69.20105	0.5
71.01369	0.1
72.99284	0.1
80.96512	0.6
94.98082	0.1
96.96078	0.1
99.00883	0.2
121.02975	0.2
121.63039	0.1
136.42621	0.1
147.04512	1.0
148.04857	0.5
209.11885	0.2
225.00922	0.1
242.60136	0.1
244.52393	0.1
255.84839	0.1
428.80215	0.1
782.27826	0.1
815.49487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
61.98829	100.0
62.98534	0.2
69.87115	0.4
80.72724	0.1
80.96515	0.4
88.25665	0.1
88.27604	0.1
88.98810	0.2
94.98106	0.1
98.20435	0.2
99.04552	0.1
110.64402	0.1
111.94928	0.1
121.02974	0.3
128.21059	0.1
147.04468	0.1
388.12891	0.1
417.61655	0.1
756.04205	0.1
815.51111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13713	0.1
59.01375	1.7
61.98830	100.0
62.98536	0.1
71.01394	0.2
72.99310	0.2
79.95735	0.1
80.96538	0.7
81.26615	0.1
84.99780	0.1
88.98806	1.0
89.02449	0.2
94.98081	0.2
96.08628	0.1
99.04545	0.2
101.02480	0.5
121.02966	2.3
147.04517	0.5
164.98558	0.2
179.78845	0.2
225.00719	0.2
481.38089	0.2
531.23682	1.2
532.25568	0.2
550.22144	0.2
563.26709	0.2
615.25977	1.0
616.26385	0.2
691.28351	0.3
737.30017	0.4
815.50055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.5
58.00574	3.1
59.01380	70.3
61.98829	2.6
64.03430	1.2
66.96584	1.2
67.75484	1.6
69.03436	1.4
71.01383	54.2
71.01785	2.6
71.54337	2.7
72.99295	4.7
73.02940	7.1
78.32182	1.2
79.95747	6.4
81.64271	1.2
83.01385	4.8
83.05075	1.4
85.02953	23.4
87.00855	2.2
89.02446	25.5
93.03459	1.5
95.01376	3.7
95.05006	3.7
96.96011	84.3
97.02943	3.8
97.95917	1.4
98.95594	4.1
99.00890	2.6
99.04512	4.6
101.02438	19.6
105.46282	1.4
107.05013	3.0
108.02177	2.6
109.02916	1.5
111.04472	2.0
113.02461	18.2
119.03492	7.5
120.05798	1.8
121.06561	1.3
122.03702	1.6
123.04504	2.7
123.08171	2.3
125.02410	1.6
125.06093	1.8
134.03783	6.1
135.04501	1.6
136.05222	2.7
138.06856	12.1
139.07614	3.3
143.03499	1.7
149.06091	9.4
151.07661	11.4
152.01074	1.5
152.08423	3.6
153.09204	44.5
154.09525	2.6
157.06572	2.6
159.11815	2.1
161.04558	4.3
161.09677	5.2
161.13368	22.4
164.04770	3.8
165.09236	10.3
169.10231	2.6
172.08870	1.9
179.05597	2.1
179.07120	3.5
179.10748	1.6
185.13354	1.5
187.11278	50.1
188.11571	2.8
191.10670	2.1
195.06602	1.7
203.10783	4.9
205.12320	17.9
206.09494	5.9
206.12523	1.8
213.83974	1.3
221.11830	24.4
229.12375	5.0
231.10324	2.5
239.12910	8.9
247.13312	2.7
249.11304	7.5
265.09427	1.5
289.11142	89.6
290.11411	14.1
291.10651	8.5
349.15683	1.3
375.65292	1.3
377.19699	4.2
401.18271	1.8
411.16669	3.2
467.50607	1.8
497.66150	1.5
529.44635	1.4
589.29974	2.9
633.29144	92.5
634.29596	11.7
813.35571	100.0
814.35822	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	813.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.7
58.00576	3.6
59.01378	70.8
61.98832	8.2
69.03440	1.5
69.21132	8.3
71.01381	51.1
72.99317	5.3
73.02943	7.4
75.00868	1.1
79.05535	1.3
81.03444	1.9
83.01387	4.1
83.05033	1.6
85.02946	19.4
86.36999	1.2
87.00880	3.0
88.98788	2.1
89.02441	27.2
95.01385	3.4
95.05022	3.0
96.96001	3.1
97.02953	2.2
99.00864	2.4
99.04519	4.2
101.01797	1.6
101.02435	22.6
105.07076	1.2
107.05018	3.3
108.02164	1.4
109.02925	1.3
111.04500	3.2
113.02446	18.9
113.06083	2.2
119.03492	6.7
119.05021	1.1
120.05812	1.3
122.03741	1.4
123.04469	1.9
123.08113	1.4
125.02457	2.2
135.04494	2.0
136.05286	1.7
137.02380	1.2
138.06850	8.1
139.07635	3.0
143.08710	1.2
149.06091	1.4
151.07646	9.8
152.04692	1.6
153.09209	33.4
157.06551	2.3
159.02974	1.1
159.11766	1.6
161.04588	5.9
161.09691	3.4
161.13354	17.0
162.13657	1.2
163.03763	1.1
165.05592	2.1
165.09236	5.8
169.10220	1.3
172.08983	1.3
177.12851	1.3
179.05562	2.8
179.10701	2.8
185.13383	1.1
187.09595	2.2
187.11261	36.7
188.08461	1.6
188.11598	1.4
201.01659	0.9
201.09137	1.5
201.11102	1.2
203.10756	4.8
205.12312	17.6
206.09465	4.4
209.11794	3.6
216.14346	1.2
221.11804	18.2
222.12105	1.3
229.12274	3.9
231.10297	2.8
239.12750	5.8
247.13255	1.5
249.11336	5.6
401.18042	1.4
411.16623	1.3
547.28912	2.8
623.36206	1.8
633.29156	87.3
634.29413	13.9
683.38080	1.3
813.35522	100.0
814.35742	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	813.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.9
58.00583	4.7
59.01377	63.0
61.98836	4.4
70.80221	2.7
70.80545	1.7
71.01383	54.5
72.99300	7.0
73.02934	8.1
73.52886	1.6
79.95733	2.6
83.01396	5.5
83.05024	1.9
85.02957	24.4
87.00867	2.7
89.02445	29.4
89.56752	2.3
95.01388	5.4
95.05045	3.1
96.96009	87.1
97.02949	3.6
98.95610	5.7
99.00851	2.4
99.04517	5.5
101.02445	23.6
103.59560	1.5
107.05002	4.2
109.02937	2.1
111.00850	2.6
111.04513	2.9
113.02445	17.4
119.03542	9.6
120.05803	2.0
125.02464	2.8
134.03752	20.3
135.04428	2.0
136.05238	1.9
138.06876	13.1
139.07635	2.2
143.03505	2.3
149.06067	25.4
150.03174	1.7
151.04030	2.3
151.07657	10.6
152.08427	4.6
153.01880	1.8
153.09209	40.2
157.06467	2.1
161.04527	5.8
161.05833	1.7
161.09712	3.5
161.13359	23.3
162.13629	2.0
164.04752	2.4
165.05539	2.6
165.09180	8.5
169.10179	2.7
170.05939	1.7
179.05640	2.4
179.07161	2.8
179.10849	1.9
187.11276	46.5
188.08482	1.6
191.02077	2.2
201.09181	1.9
203.10739	5.1
203.97862	1.5
205.12332	20.2
206.09457	5.6
206.12605	2.0
221.11839	20.3
222.12144	1.9
229.12335	6.9
231.10329	3.6
239.12791	8.3
249.11337	7.4
272.13013	1.8
289.11136	100.0
290.11502	12.1
291.10748	7.9
313.57330	1.6
323.48004	1.5
377.19614	7.9
401.18231	2.1
411.16544	3.4
413.25079	1.8
415.19846	3.8
433.28409	1.7
436.44156	1.6
504.75598	1.7
589.29523	1.6
607.27618	1.9
633.29144	90.4
634.29498	11.0
638.92206	1.9
727.39771	2.0
813.35492	96.9
814.35565	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	813.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01379	100.0
60.01706	1.2
60.99331	0.8
61.98829	35.8
69.12875	0.5
69.21033	1.3
69.21442	3.3
71.01395	1.5
72.99310	0.9
74.55506	0.5
75.00876	1.6
85.02958	0.8
87.00909	0.6
88.98816	3.4
89.02444	0.7
93.03455	0.7
96.96012	3.0
98.95573	0.6
99.00891	1.6
99.04520	1.7
99.92615	0.6
101.02449	0.9
105.01942	0.5
107.04993	0.6
113.02486	0.6
115.92089	0.5
116.92854	0.9
119.03507	1.1
121.02959	32.9
122.03325	1.4
125.02410	0.6
130.18452	0.5
135.04521	0.6
147.04552	1.3
147.43617	0.6
159.08215	0.6
161.02527	0.9
172.60452	0.6
213.14964	1.5
373.20541	0.9
457.22055	2.7
499.23337	7.1
500.23804	1.1
553.24799	1.7
559.23981	1.6
615.26343	1.6
643.25287	5.3
644.26025	1.0
651.58099	0.6
675.28046	48.4
676.28430	8.3
693.29425	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.0
58.00589	0.7
59.01378	100.0
60.01710	0.7
61.66813	0.6
61.98821	2.9
69.03461	1.6
69.92426	2.1
71.01381	40.1
72.01710	0.7
72.99308	2.1
73.02946	49.9
75.00880	1.5
83.01389	14.0
83.21453	0.6
85.02953	9.2
87.00886	2.0
89.02438	10.8
95.01417	2.7
96.96028	1.3
97.02957	1.3
99.00883	1.2
99.04523	1.1
101.02441	53.6
102.02780	0.9
103.04030	0.7
108.02175	1.9
113.02448	20.8
119.03522	9.9
119.05025	0.7
121.02973	1.8
123.04542	1.5
125.02453	2.3
129.01988	0.8
131.03511	5.8
134.03720	0.9
135.04536	3.0
136.01672	1.3
137.02461	0.7
138.01993	1.3
143.03499	6.9
147.02965	1.4
147.09070	0.6
149.02560	1.1
149.04555	18.0
150.03172	1.8
151.03958	0.8
152.01160	1.5
155.03482	1.5
161.02420	1.9
161.04555	33.7
162.04880	0.7
163.03981	3.8
164.04800	4.1
165.05569	1.4
167.03520	1.2
179.03523	2.7
179.05670	1.0
179.07129	29.4
180.07489	1.0
181.05057	1.1
193.05109	1.9
203.05560	4.0
206.63708	0.6
221.06631	18.5
222.07007	1.1
245.55431	0.7
323.11215	1.4
341.12335	3.6
383.13486	1.0
385.11447	1.5
405.14035	0.7
496.19016	0.6
609.14587	0.6
795.31152	0.8
813.31183	2.7
814.31354	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
61.98830	100.0
62.98544	0.1
69.16735	0.1
69.17140	0.7
71.01402	0.1
75.00891	0.2
85.02956	0.1
96.96062	0.1
104.87218	0.1
123.77661	0.1
147.04538	0.2
148.04868	0.1
209.11908	0.1
316.40485	0.1
370.63431	0.1
423.53900	0.1
551.95685	0.1
590.23132	0.1
638.41644	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	813.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	11.5
58.00581	1.8
59.01380	26.2
61.67455	1.2
65.88088	1.4
69.57783	7.4
71.01381	22.1
73.02941	6.2
75.00866	5.8
83.01397	8.5
85.02943	17.3
87.00889	7.4
88.30908	1.5
89.02444	11.7
95.01379	1.8
99.00842	1.8
99.04527	3.2
101.02441	14.7
103.04080	1.4
108.02177	2.1
111.00887	8.9
111.04456	1.2
113.02456	18.2
119.03507	5.1
119.05029	72.2
120.05407	2.1
120.99668	2.1
123.04556	3.0
125.02435	2.9
126.39792	1.3
129.01923	5.9
131.03448	3.1
132.02159	1.9
132.89812	1.4
133.02965	2.2
134.03751	17.5
147.03027	2.8
147.04480	3.4
148.05295	38.5
149.02402	1.8
149.06120	12.3
159.04480	2.7
160.01688	11.5
161.02423	3.0
161.04550	4.8
162.03146	1.5
162.06798	1.3
163.04002	50.0
163.07642	54.5
164.04578	2.6
164.07983	2.4
171.04523	1.8
173.06027	2.7
174.03180	4.2
175.02571	2.2
175.03984	47.8
176.04753	7.8
177.05574	2.0
178.02869	1.9
178.06329	2.8
179.05566	4.3
179.07065	2.3
184.05261	1.4
186.06776	2.5
187.03983	4.6
188.04787	17.9
189.01927	1.5
189.05560	7.2
190.06310	2.6
191.01994	3.2
191.07158	13.8
192.04315	2.5
192.07486	1.6
193.05031	6.2
195.02892	1.8
195.06583	2.3
200.04774	4.8
201.05598	5.4
202.06316	6.2
203.03528	5.6
203.07135	9.4
204.04181	1.6
204.07907	3.0
205.05046	4.1
205.08691	1.7
206.05876	3.4
207.06644	4.1
212.04781	2.2
214.06331	3.3
215.07095	3.7
217.05054	4.7
217.08681	3.7
218.05881	4.3
219.06612	2.3
219.10194	3.4
220.03647	2.2
221.04533	2.7
221.08151	11.0
225.07721	2.9
229.08711	3.4
230.05833	15.7
231.06625	2.2
232.03690	2.1
233.08173	12.9
235.06123	39.2
236.06456	2.6
244.07442	3.6
245.08180	26.9
246.08678	1.6
247.06145	8.1
249.07719	7.6
263.09210	33.3
264.09534	2.3
277.07162	18.6
289.07193	24.7
291.17111	1.7
303.07150	5.2
307.08212	43.1
308.08511	2.6
309.91522	1.4
325.09268	5.4
326.09286	2.1
330.23267	1.5
383.13510	5.2
395.15436	2.0
397.11414	3.1
409.17102	4.2
425.14438	23.6
426.14813	2.9
427.12463	77.0
428.12991	8.1
457.13403	5.6
469.13492	100.0
470.13809	10.7
487.14484	14.9
499.10989	2.8
679.48584	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46380	0.5
59.01367	0.6
61.98819	1.6
63.96230	1.9
69.42389	2.6
69.42815	1.7
71.01378	7.4
73.02937	2.1
74.92103	0.6
78.98589	6.9
79.54950	0.5
79.95728	14.2
80.96512	82.5
82.96095	1.4
85.02943	3.2
85.09453	0.6
87.00871	3.1
94.98082	18.6
96.96014	1.2
97.02966	1.0
100.06011	0.6
101.02444	2.1
106.98083	4.1
108.91282	0.6
122.97562	2.9
125.02464	3.5
126.26227	0.5
127.03989	1.1
134.97578	4.9
136.99097	1.4
144.41640	0.6
146.97525	0.8
148.99121	6.6
152.98608	6.1
164.98622	11.6
165.99025	0.5
201.11407	1.0
206.99677	3.5
209.11873	1.1
225.00729	24.1
283.04965	0.8
283.26407	1.2
483.15530	1.8
509.16983	0.7
527.17950	1.4
565.30243	1.2
767.42889	4.9
768.42755	0.9
779.39032	2.3
793.43634	0.8
811.45044	100.0
812.45441	21.6
812.57233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.1
61.98829	100.0
62.98538	0.1
85.02973	0.2
92.69855	0.1
99.00903	0.1
105.98553	0.1
123.40556	0.1
147.04553	0.2
175.87564	0.1
205.14384	0.1
428.75641	0.1
448.44955	0.1
626.06317	0.1
670.93964	0.1
720.26697	0.1
835.36829	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	811.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65973	0.2
59.01378	100.0
60.01709	0.9
60.99306	0.4
61.98831	6.4
62.35821	0.3
67.21572	0.2
68.99820	0.5
69.03450	0.6
71.01381	2.9
72.99300	1.6
75.55382	0.2
79.05541	0.4
81.03454	0.6
81.41597	0.2
83.05061	0.6
85.02965	1.8
87.00906	0.8
88.98796	2.5
89.02455	0.5
93.03463	1.1
95.05040	0.9
97.02953	1.1
98.19925	0.4
98.20573	0.7
99.00880	11.5
99.04533	0.5
101.02428	0.3
102.05624	0.3
103.05545	0.7
107.05047	0.5
108.02156	0.3
109.02995	0.5
111.04530	1.9
119.05026	1.0
121.02946	2.2
121.06595	0.8
123.04513	1.2
125.02469	0.6
127.04029	0.6
131.05049	0.2
135.04559	0.5
137.02419	0.4
137.06100	0.3
139.04013	0.7
145.06491	0.3
147.04520	40.7
148.04861	1.4
149.06078	1.3
150.03229	0.3
151.03998	0.7
159.04544	0.3
161.06047	0.5
165.05602	0.6
167.03441	0.3
167.07115	0.3
173.06119	0.3
175.04041	0.4
176.04797	0.3
177.05524	0.3
179.26442	0.3
193.05029	1.2
194.05865	0.5
211.06097	0.8
229.00668	0.3
233.09778	0.7
269.31674	0.2
437.16324	0.3
455.17307	0.3
473.18118	0.4
491.19534	0.3
559.19604	0.6
560.86102	0.3
593.25336	0.3
603.21790	0.3
619.18396	0.3
689.26947	0.8
707.27802	0.4
715.28046	0.3
733.27289	0.6
751.31036	0.5
779.27045	5.7
780.27667	1.2
786.95599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55451	1.8
57.03449	15.6
59.01381	39.1
60.99297	3.8
61.98828	100.0
69.03459	3.7
71.01386	16.6
72.99310	9.7
74.84525	1.8
78.65957	1.9
81.03414	3.0
83.05030	2.8
85.02946	14.2
87.00861	11.0
88.98811	18.4
89.02466	2.6
93.03457	5.8
93.74911	1.9
95.05006	4.7
96.96005	8.6
97.02966	6.3
97.30872	1.9
99.00883	51.5
99.04522	20.2
100.81980	1.9
101.02442	92.5
104.62669	1.9
107.05032	3.8
108.02173	3.5
109.02928	6.4
111.04506	9.2
113.02396	2.1
114.05575	2.3
116.92863	6.4
119.05038	4.3
121.02941	23.9
121.06556	4.7
122.03659	1.7
123.04511	9.9
125.02353	3.3
127.04012	6.0
133.06578	2.7
133.10257	2.4
134.03702	2.7
135.04517	3.6
137.06070	8.3
139.03989	5.1
147.04515	88.7
148.04826	2.6
149.02493	3.7
149.06030	5.6
151.04013	5.4
161.02473	2.0
161.06065	2.7
161.09624	2.3
165.05608	9.5
166.84744	1.9
167.03413	2.6
175.04126	2.8
175.07545	3.3
176.04771	2.8
177.05537	2.4
187.07666	3.1
193.05029	16.5
194.05786	10.4
200.81454	2.0
205.08658	9.1
209.11847	2.2
211.06073	6.0
216.07956	2.4
223.09763	7.4
347.22272	4.4
386.63089	2.2
429.26389	3.3
455.24112	4.7
473.25375	16.4
474.25632	3.6
497.56720	2.4
506.07022	2.2
515.26599	3.2
527.19110	2.9
599.23181	3.5
635.30164	5.7
675.24048	3.9
677.31738	16.6
678.31812	2.9
691.27905	2.5
701.25629	9.3
719.27490	63.8
720.26306	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	811.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.8
59.21494	0.6
60.99310	3.4
61.98830	100.0
62.04817	0.7
68.99564	1.1
69.03463	1.3
71.01381	3.5
72.99322	1.7
73.02929	1.0
75.00881	1.1
78.91904	1.5
83.05041	1.4
85.02954	2.7
87.00894	1.5
87.04520	14.8
88.98804	20.3
92.09045	0.7
93.03461	1.1
95.05037	1.3
96.96027	2.3
99.00883	11.4
99.04521	3.3
101.02453	0.8
103.00378	1.0
109.02982	1.2
111.04543	2.0
112.98586	1.0
119.05048	0.9
121.02981	4.8
121.06612	1.0
123.04519	2.1
125.02404	0.9
128.05067	0.6
135.04559	1.2
137.06093	1.0
139.04021	1.4
147.04524	20.8
148.04895	1.2
149.06094	1.7
165.05659	1.0
167.03531	0.9
171.10248	1.2
177.05646	0.7
193.05031	2.0
194.05890	1.4
209.11929	2.1
211.06146	1.8
225.11324	1.0
243.91827	0.7
247.00046	0.7
286.75150	0.7
298.62329	0.7
455.17200	0.8
473.18408	1.1
491.19223	15.6
492.19684	1.9
673.26971	1.6
691.27795	1.2
719.27014	7.9
720.28601	1.6
775.78986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.7
59.01378	9.1
59.28457	1.8
60.81255	2.0
61.98829	70.2
65.03980	1.9
68.99811	4.0
69.03451	6.2
71.01380	36.4
71.52537	3.4
72.99300	12.9
73.02924	3.4
75.00880	6.0
79.05508	4.6
81.03445	4.0
83.01389	5.4
83.05024	6.6
85.02939	15.1
85.56760	1.9
87.00882	6.4
87.04520	3.9
93.03450	16.8
95.04503	1.9
95.05029	10.8
96.96017	2.7
96.99334	2.6
97.02933	6.7
99.00880	100.0
99.04518	4.7
101.02426	4.2
103.00373	7.8
105.07090	2.8
107.05020	10.6
108.02184	3.5
109.02966	7.6
109.06613	2.0
111.04515	20.8
113.02437	5.5
115.00382	2.3
115.05547	11.2
115.06246	1.9
115.92045	2.9
117.03452	4.0
119.05032	6.9
121.02954	30.0
121.06584	11.5
122.03751	2.7
123.04535	14.5
123.08142	2.0
125.02457	6.1
127.04014	2.9
129.07042	2.1
131.05008	8.8
133.06581	5.1
134.03783	3.0
135.04521	10.0
137.02411	3.0
137.06065	5.7
139.04019	9.0
143.08701	1.9
145.02980	4.0
145.06567	6.5
147.04515	63.9
147.08148	2.4
149.02454	3.2
149.06084	17.2
150.03268	4.1
151.04056	10.6
154.99937	4.0
155.07524	1.8
155.08624	9.4
157.06616	3.9
159.04495	3.9
159.08107	3.3
161.06070	6.7
163.07626	3.4
165.05577	9.6
167.03519	5.6
167.07149	2.7
169.10342	2.1
171.08180	3.8
173.00984	5.3
173.09724	2.5
175.03976	5.4
175.07678	4.5
176.04799	8.7
177.05641	10.8
179.07108	4.0
182.59808	1.9
185.06059	2.9
185.09758	5.3
187.07607	4.2
187.11311	10.0
193.05095	18.9
194.05809	17.1
195.06644	2.7
199.07664	2.6
201.09192	3.8
203.07053	4.8
205.08580	2.4
205.10229	7.1
207.11754	4.2
211.06110	31.8
211.07895	3.3
212.06506	2.5
213.09210	12.0
225.09253	2.3
227.10757	2.9
229.08688	2.1
231.10255	4.2
233.09700	74.2
234.10063	6.8
237.24814	2.1
251.10751	8.8
259.07486	4.9
277.08716	25.1
278.09113	3.4
279.12521	3.4
295.09775	45.0
296.10056	6.0
309.11404	4.6
322.32065	2.2
373.16425	3.7
381.59686	2.3
411.14120	4.6
425.15872	6.4
429.15384	6.1
437.16068	4.2
443.17825	2.6
455.17056	6.7
473.18085	29.9
474.18640	3.0
491.19177	46.8
492.19666	4.6
545.17529	2.1
689.23645	7.2
707.25031	4.6
715.25153	4.7
733.26349	11.8
751.27893	12.7
752.28101	2.5
779.27039	31.9
780.27332	7.1
813.52258	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	811.297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
59.01375	1.2
61.98827	1.3
62.37599	0.5
68.78333	0.5
68.99812	0.8
69.03436	0.9
71.01385	4.6
72.99307	5.8
73.02946	0.9
78.38548	0.6
80.81609	0.5
81.03469	1.3
83.05014	1.8
83.31897	0.6
83.48209	0.6
85.02954	6.2
87.00868	2.4
93.03448	3.6
95.01377	0.9
95.05030	2.4
95.97791	0.5
97.02963	2.2
98.20453	2.5
99.00877	11.3
99.04503	1.3
101.02429	1.6
103.05531	2.7
107.04992	1.7
108.02262	0.6
109.02949	2.6
111.04526	7.6
113.02457	1.3
119.05070	3.5
121.02947	5.5
121.06586	2.0
122.03834	0.8
123.04532	4.7
125.02467	4.0
125.46581	0.5
127.03999	3.0
131.05045	0.6
133.06595	0.9
135.04527	1.8
137.02332	0.6
137.06065	2.7
139.04010	1.4
147.04520	100.0
148.04871	3.2
149.02446	0.9
149.06096	4.3
150.03230	1.3
151.03966	2.4
156.88925	0.5
161.06058	1.1
165.05559	3.4
167.03471	1.7
175.03961	0.7
176.04695	0.6
177.05550	1.3
193.05026	6.8
194.05756	1.3
194.93091	0.6
203.07109	0.7
211.06110	5.0
213.72826	0.6
233.09753	1.4
248.92525	0.6
327.62479	0.5
455.17126	0.9
473.18329	1.6
491.19382	1.2
559.19769	2.5
567.19873	0.9
585.21722	1.3
603.22607	1.8
621.23505	0.9
647.51129	0.6
715.25659	1.3
733.26514	3.8
734.27454	0.6
779.27094	37.6
780.27399	10.0
809.42920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01381	1.0
61.98806	0.4
65.03954	0.4
68.99809	0.6
69.03443	1.2
71.01382	8.2
72.99306	3.0
73.02940	0.3
75.00861	1.3
79.05524	0.6
81.03443	0.8
83.01359	0.4
83.05019	1.4
85.02947	3.6
87.00877	1.3
93.03458	2.8
95.01374	0.5
95.05028	2.2
97.02952	1.8
97.06590	0.3
98.20025	0.8
98.20715	0.2
99.00878	23.1
99.04532	0.6
100.01219	0.5
101.02435	0.6
101.03933	0.3
103.00377	1.0
103.05531	2.6
105.03468	0.2
105.07065	0.1
106.04233	0.4
107.05041	1.4
108.02162	0.5
109.02964	1.4
109.06595	0.3
111.04519	3.9
112.04881	0.2
113.02465	0.9
115.00350	0.5
119.05027	2.8
121.02959	4.7
121.06581	2.0
122.03709	0.4
123.00855	0.2
123.04525	3.9
123.08148	0.5
125.02444	1.8
127.04005	0.9
131.05019	0.5
133.06573	0.5
134.03717	0.3
135.04532	1.3
137.02414	1.0
137.06093	1.1
139.04012	1.1
141.05573	0.2
143.05019	0.3
145.06532	0.2
147.04520	100.0
148.04851	4.2
149.02446	0.6
149.06088	3.1
150.03174	0.5
150.06396	0.2
151.04028	1.9
151.07657	0.3
153.05542	0.3
157.06592	0.5
158.03835	0.2
159.04518	0.5
159.08099	0.3
161.06107	1.0
161.09711	0.2
163.03975	0.4
164.04837	0.1
165.05539	2.1
167.03468	1.4
167.07080	0.6
169.10185	0.3
171.08105	0.4
173.06026	0.4
174.03200	0.2
175.04012	0.8
175.07620	0.4
176.04791	0.7
177.05557	1.6
177.09135	0.1
179.07149	0.4
183.06598	0.2
183.08124	0.2
185.06084	0.5
187.07640	0.4
187.11247	0.3
189.05531	0.2
191.07143	0.3
193.05051	4.5
194.05840	2.1
195.06572	0.4
199.07605	0.3
201.05496	0.2
201.09169	0.2
202.06361	0.2
203.07150	0.8
207.09665	0.2
211.06065	2.8
214.06352	0.2
215.07181	0.3
215.10901	0.2
217.08670	0.4
225.09235	0.2
231.10162	0.2
233.09682	0.6
237.09103	0.2
253.08672	0.2
261.07596	0.4
263.10791	0.2
277.08578	0.3
278.09344	0.2
279.06528	0.2
279.10107	0.2
291.10217	0.2
319.13370	0.2
321.10925	0.2
337.14447	0.2
363.16205	0.2
381.17322	0.3
396.25122	0.2
411.14487	0.4
419.15344	0.2
425.16238	0.3
429.15479	0.2
437.16138	0.9
453.15161	0.1
455.16858	0.9
473.18192	1.4
474.18484	0.2
491.19266	1.1
503.20865	0.2
529.18793	0.2
541.19049	0.2
555.09833	0.2
557.22095	0.3
559.19666	1.7
560.20044	0.4
567.20343	1.0
568.20459	0.2
577.20422	0.4
585.21301	1.6
586.21826	0.4
603.22107	1.7
621.23474	0.3
639.55096	0.2
689.24579	0.5
707.25262	0.6
708.24982	0.3
715.25464	0.7
733.26495	2.2
734.26929	0.5
751.27924	0.6
767.26971	0.3
779.27057	11.5
780.27380	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18250	100.0
82.27640	45.5
83.37315	38.9
85.38712	37.4
151.95105	42.6
237.37473	38.6
277.21664	61.3
372.34555	41.7
682.81158	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94905	0.4
57.03450	46.5
59.01382	42.0
70.87836	0.7
71.01383	6.9
73.02944	3.6
76.59921	0.4
77.75115	0.4
82.00618	0.8
83.01377	2.3
85.02959	3.6
89.02450	1.5
95.01408	0.5
96.96012	1.5
99.00859	1.5
99.04521	39.4
100.04861	1.1
101.02445	19.2
103.04009	0.5
103.46443	0.5
110.00072	2.3
113.02448	3.9
113.26421	0.5
125.02447	16.0
137.99626	3.9
143.03488	2.9
153.01936	100.0
154.02271	2.7
159.02988	0.6
161.04544	3.7
168.04280	99.2
169.04601	3.4
183.06621	82.4
184.06958	3.2
207.75536	0.5
235.11890	14.0
236.12172	0.5
274.53409	0.5
277.12924	7.3
311.06812	0.5
317.15945	2.5
326.96661	0.4
379.16086	35.6
380.16382	2.6
387.13013	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	809.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
59.01381	25.5
61.98822	12.2
68.99569	1.2
69.03451	4.6
70.64286	0.9
71.01382	100.0
71.53748	1.4
72.01716	1.6
72.99302	8.4
73.02951	1.4
73.93451	0.7
75.00883	3.5
79.05526	1.4
81.03473	0.9
83.01397	4.8
83.05039	2.6
85.02937	4.7
87.00882	3.5
88.98804	3.0
89.02440	1.6
95.01392	1.6
95.05041	1.2
96.96022	2.1
97.02954	1.7
99.00909	5.0
99.04518	26.6
101.02437	1.3
101.50841	0.9
107.05037	3.2
109.06585	4.4
111.00903	1.4
111.04514	2.7
113.02444	3.3
115.00371	41.5
115.04027	1.2
121.02957	2.4
121.06610	1.0
123.04520	1.1
127.04027	1.7
129.01968	1.4
133.01428	50.6
133.06586	0.9
135.04524	5.2
137.06078	2.8
145.06676	1.2
145.09468	0.9
147.04504	2.1
149.02408	1.2
150.03238	6.1
151.07629	1.4
153.05589	1.0
157.01457	6.4
159.08200	2.1
163.07637	2.0
163.11279	0.9
163.99513	0.9
165.05537	6.1
165.09158	1.0
167.07152	1.5
170.89001	0.9
175.02495	13.2
175.07623	1.8
177.09225	1.0
190.06297	1.3
191.07126	1.7
191.10811	2.2
193.08708	1.3
195.06636	4.1
209.11830	1.8
215.07176	1.0
217.08746	2.1
225.58603	0.8
247.09735	1.1
249.11317	1.5
256.10983	0.8
257.11938	1.7
267.13907	1.0
273.15030	0.8
275.12897	0.9
301.96854	0.9
317.13699	0.8
335.37552	1.0
345.16992	1.0
359.05310	0.9
411.18359	1.4
429.19186	1.2
431.20432	0.8
441.19000	1.7
443.16864	1.1
445.18829	1.5
447.20004	1.8
471.19623	1.2
487.19724	3.1
489.21353	25.4
490.21567	3.0
501.21304	6.6
503.22989	3.0
513.25146	1.6
514.24622	1.0
519.22229	2.6
521.22858	1.0
529.24414	2.9
559.25867	3.9
569.23907	1.3
571.25500	19.8
572.25879	2.3
589.26740	1.0
601.26544	44.8
602.26782	7.5
603.28131	33.0
604.28461	5.7
615.28021	1.0
629.26526	1.1
631.28168	2.1
632.01099	1.0
643.27649	11.5
644.27600	2.4
661.28662	20.8
662.29028	2.5
719.29541	2.9
756.66840	1.1
809.30786	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	808.34
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.1
59.01831	0.1
60.01705	0.2
60.69068	0.1
61.01798	0.2
61.98831	100.0
69.63383	0.3
69.63800	0.6
74.20176	0.1
78.91895	0.2
88.98811	0.2
96.96001	0.2
99.04509	0.6
101.21827	0.1
116.92874	0.2
121.02946	0.2
153.82835	0.2
209.11877	0.2
384.08469	0.1
385.12582	0.1
385.98169	0.1
550.14117	0.2
624.28119	0.2
653.29437	0.2
654.30035	0.3
655.30634	0.5
656.30414	1.1
687.89294	0.1
738.23224	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62970	0.2
59.01377	1.8
60.47121	0.3
69.36938	2.0
71.01379	0.4
84.04580	0.4
85.02940	0.3
86.02483	0.3
95.03751	0.8
96.96002	1.2
98.20421	0.9
100.46657	0.2
101.02444	0.4
102.51580	0.3
104.05054	0.8
106.06627	1.9
107.01382	0.5
107.04994	0.2
112.04065	0.5
120.99657	0.7
122.06107	1.1
123.00850	0.3
123.03256	0.3
124.07696	3.6
125.02492	0.3
132.04556	20.9
133.05354	8.8
134.06160	2.8
134.24850	0.3
135.00882	1.5
136.04051	0.3
138.05527	0.4
148.04005	1.2
150.05664	0.6
158.16019	0.3
161.04579	0.2
164.35176	0.3
165.04312	13.4
166.04649	0.6
167.03502	1.9
175.02733	0.3
176.03584	0.6
176.07159	0.4
177.04358	1.9
178.05139	1.2
184.07753	0.5
186.09279	1.7
198.09221	0.3
209.03308	3.6
213.06711	1.1
214.12349	3.0
214.22847	0.2
215.11887	3.9
226.07542	0.5
227.08304	0.3
229.09818	1.8
240.10214	1.1
241.09779	1.6
242.10333	0.3
251.25014	0.3
255.11230	0.4
257.12946	17.7
258.13220	1.2
271.02509	0.5
275.92276	0.3
283.10880	6.0
284.11307	0.5
300.02924	0.7
301.11926	9.6
301.15335	0.6
302.12219	0.8
305.10556	0.7
327.09766	0.4
339.23456	0.3
345.10895	100.0
346.11230	9.1
409.56711	0.3
463.08649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	4.1
58.39853	0.8
59.01377	10.2
61.57049	0.9
61.98833	5.1
68.99569	13.8
70.48772	2.8
71.01377	6.2
71.33752	0.8
72.99310	6.7
73.02936	1.2
74.86204	1.0
75.00871	1.7
83.05041	1.0
84.02166	3.0
85.02937	6.5
87.00871	25.4
88.98809	3.3
96.96001	2.5
99.04543	1.9
100.39956	0.9
101.02443	1.8
103.04010	25.1
112.01721	1.0
112.98568	15.0
113.02472	1.0
116.92818	1.6
121.02998	1.0
145.64932	1.0
164.20590	1.1
165.05504	1.1
180.91431	0.8
201.11115	1.2
209.11894	1.1
216.49487	0.8
277.14365	2.0
278.15134	3.1
367.08347	1.2
385.12790	1.3
397.13339	2.2
455.24374	1.5
473.25439	6.8
487.27185	2.4
497.25436	1.9
515.26495	19.6
516.26648	2.4
529.27948	3.8
557.27448	19.2
558.28101	2.7
665.21570	1.0
721.34351	12.2
722.34424	1.5
763.35425	100.0
764.35724	19.3
807.34320	5.1
808.34894	1.1
825.11414	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	30.6
59.43505	2.0
61.98827	20.3
62.54426	1.7
68.20378	1.4
68.99842	1.6
71.01385	9.1
71.52710	1.8
72.34088	1.7
75.04089	1.4
79.05566	2.0
83.05029	4.3
93.03481	3.1
95.05018	3.9
96.96038	2.2
97.02917	1.9
99.00877	24.8
99.04518	85.8
101.02444	3.2
102.41920	1.7
107.05042	1.7
109.02974	1.7
111.04533	6.3
113.68740	1.4
119.04984	1.8
121.02957	5.1
121.06548	2.2
123.04559	2.4
125.02414	1.7
135.04527	4.2
137.02435	4.0
139.03920	1.8
147.04533	35.6
149.06047	2.5
159.04526	1.8
171.10260	2.3
177.05521	2.1
205.94281	1.7
227.10770	3.4
252.47658	1.7
389.12311	6.4
485.18338	4.8
527.28479	1.7
555.27673	4.2
557.23895	32.8
558.24316	6.9
567.22217	2.4
585.23346	100.0
586.23621	18.8
599.26538	7.0
625.25507	1.8
635.25110	2.3
687.28064	30.7
688.29022	7.5
701.30676	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01664	1.1
60.99300	3.2
61.79421	0.9
61.98536	1.7
61.98829	20.1
70.22401	0.9
88.53606	0.8
88.98804	18.3
96.96004	3.4
97.06965	0.9
98.19947	2.5
98.20644	3.1
99.04519	33.3
116.92835	1.8
119.03465	1.2
121.02948	1.1
130.70422	0.9
160.84215	7.3
162.83900	10.2
184.51154	0.9
188.18723	1.0
209.11839	1.4
211.13429	1.2
213.09172	1.0
241.08699	1.4
321.08981	1.3
339.09836	1.7
455.20215	1.3
509.25543	2.7
537.24402	1.8
553.24451	2.6
593.27692	3.1
621.27100	10.3
622.26971	1.9
623.62097	1.1
653.29675	84.8
654.30017	17.0
806.11395	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	805.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01711	0.9
61.98827	35.3
63.37254	0.7
66.18134	0.8
69.45837	0.7
71.01381	0.9
71.52684	1.6
71.76266	0.7
76.98142	0.7
81.34676	0.7
82.84921	0.8
96.96026	1.2
99.04517	27.1
100.04852	1.0
160.05336	1.1
171.89177	0.9
209.11699	1.1
211.13490	1.4
213.09071	1.1
293.12170	0.8
305.85147	0.9
389.25531	1.0
455.20938	1.1
509.24747	1.4
537.24707	2.8
553.24237	1.8
554.24188	1.5
593.27441	3.4
621.27069	9.7
622.27142	1.7
653.29620	68.3
654.29987	14.7
741.57281	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	12.6
58.03759	0.4
59.01378	9.4
68.99821	0.9
71.01384	5.9
72.99307	2.4
73.02928	1.8
75.00858	2.6
83.01370	3.7
84.02167	2.6
85.02950	100.0
86.03298	2.0
86.71279	0.4
87.00880	1.2
89.02430	1.7
93.86457	0.3
97.02977	0.4
98.19878	0.9
99.04514	1.0
101.02441	3.0
103.00379	1.6
103.04037	0.7
111.00882	6.2
113.02483	0.8
115.00365	1.1
116.42610	0.3
117.03475	0.4
119.03543	0.4
119.05014	1.2
120.06139	0.3
123.00771	0.4
123.04536	0.5
125.02437	1.4
129.01945	8.0
133.01457	1.0
134.03740	4.0
135.04501	0.5
137.02415	0.6
137.06120	0.8
137.18478	0.4
145.01428	0.4
147.03004	14.5
148.03281	0.4
149.02422	0.9
153.05559	0.7
153.09172	1.4
154.09561	0.5
161.04561	0.7
164.04785	1.0
165.05565	0.3
173.00925	2.8
179.03517	0.4
179.05606	0.5
191.01971	70.4
192.02295	2.2
193.05026	2.8
205.03580	0.6
208.03784	0.5
209.03015	19.1
219.82785	0.4
221.11755	0.4
221.71394	0.4
223.04330	3.5
223.06213	1.6
223.62318	0.4
239.12830	0.8
240.13097	0.4
265.09268	1.3
341.12558	1.7
367.06668	1.6
385.07681	27.2
386.08087	2.6
395.15518	0.8
409.13333	1.2
419.19333	0.5
453.12427	0.4
513.03809	0.4
572.76581	0.4
620.28290	0.4
629.21429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98533	0.1
78.95939	0.1
80.96565	0.1
92.40472	0.1
98.20612	0.2
117.54439	0.1
225.11345	0.1
277.21616	0.2
739.42365	0.1
803.38580	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
78.95914	0.3
79.95719	0.2
80.96521	0.5
90.32963	0.1
96.96037	0.1
133.71268	0.1
209.11880	0.3
277.21817	0.3
297.37570	0.1
346.58734	0.1
397.73425	0.1
471.78125	0.1
538.04272	0.1
803.38367	0.6
824.55194	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01416	0.1
61.55930	0.1
61.98830	100.0
62.98539	0.1
63.88440	0.1
72.01239	0.1
80.96503	0.2
82.96074	0.1
96.83505	0.1
98.20763	0.2
106.38927	0.1
118.33121	0.1
121.35772	0.1
129.74596	0.1
148.92636	0.1
167.80014	0.1
171.10335	0.2
196.41339	0.1
211.13390	0.3
212.13904	0.2
277.21634	0.8
277.58334	0.1
278.22009	0.2
296.27255	0.1
468.77747	0.1
624.71753	0.1
712.38849	0.3
802.42511	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.3
61.98830	50.1
62.49926	0.7
63.10427	0.7
71.01370	4.1
73.02932	1.2
81.03444	0.9
83.05011	3.2
87.00856	1.2
89.02438	3.3
95.05038	0.9
101.02441	2.6
113.02460	1.7
125.06023	1.1
125.08805	0.7
125.09706	1.6
127.11284	1.8
137.09706	0.7
161.04521	1.0
163.11275	2.8
165.12854	2.1
171.10284	0.9
175.02299	0.6
183.10268	0.7
188.44006	0.7
191.10760	0.7
201.11319	42.7
202.11668	2.0
209.11818	94.5
210.12112	6.6
227.12871	11.0
228.13345	0.8
235.08232	6.8
253.09288	14.9
254.09572	0.8
277.21704	100.0
278.22058	9.4
360.27637	0.8
419.19077	1.4
430.09634	0.8
437.20233	3.1
443.31580	1.2
445.20670	3.7
461.32745	0.9
513.30786	4.5
771.46210	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98542	0.1
68.99565	0.2
71.01383	0.1
71.53281	0.1
80.96519	0.4
89.02422	0.1
105.37264	0.1
112.98556	0.3
115.58039	0.1
122.33916	0.1
171.65866	0.1
172.05286	0.1
209.11848	0.1
225.11333	0.1
277.21701	0.1
286.83609	0.1
304.28003	0.1
346.60086	0.1
522.81860	0.1
650.47241	0.1
785.38452	0.1
803.39093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.5
61.98839	0.2
71.01380	1.1
71.54559	0.3
73.02952	0.4
79.95724	4.2
85.02961	0.6
89.02452	0.4
90.92019	0.2
91.42279	0.2
96.96011	70.7
97.95972	0.2
98.95576	0.5
101.02426	0.3
111.47427	0.2
119.05024	8.0
120.05366	0.3
129.74203	0.2
135.04593	0.2
150.03185	0.7
153.05530	0.3
155.59850	0.2
164.04689	0.2
165.05556	0.7
167.07144	0.6
191.01941	0.2
195.06592	0.4
209.08147	0.7
289.11139	100.0
290.11478	6.8
291.10876	0.7
337.06848	0.2
364.02133	0.2
371.11053	0.2
383.11417	0.4
389.18030	0.5
433.20795	0.9
549.18225	0.2
553.20667	0.2
597.19818	0.5
621.32983	0.3
628.73901	0.2
692.38318	0.2
726.37775	0.2
801.39459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	13.3
59.01388	2.3
61.98833	12.1
69.03452	0.4
71.01387	3.2
71.53173	0.4
72.99313	1.5
73.02914	0.4
75.00884	0.4
78.91888	0.4
79.03620	0.3
81.03464	0.3
83.05032	0.6
85.02958	1.8
87.00878	1.3
88.98801	0.5
89.02475	0.3
93.03454	1.2
95.05032	1.2
96.96033	0.6
97.02939	0.7
99.00880	6.9
99.04518	0.3
101.02444	100.0
102.02783	2.4
103.00387	0.6
103.05557	0.4
107.05029	0.8
109.02985	0.9
111.04536	1.7
113.02474	0.5
115.00366	0.6
116.92903	0.4
119.05045	0.6
121.02959	3.1
121.06554	0.9
123.04525	1.6
125.02460	0.6
127.03988	0.4
135.04538	0.9
137.00124	0.4
137.02444	0.4
137.06068	0.6
139.04027	0.9
147.04523	23.6
148.04825	1.0
149.06111	1.5
150.03241	0.6
151.04019	1.3
161.06125	0.7
165.05547	0.8
167.03488	1.0
167.07137	0.5
175.04129	0.7
175.07585	0.4
177.05496	0.6
179.07030	0.5
185.05949	0.4
187.07700	0.5
189.05511	0.4
193.05013	3.4
194.05806	1.8
195.06644	0.4
203.07259	0.5
209.11864	1.0
211.06114	3.8
212.06493	0.4
411.14676	0.7
425.16464	0.4
437.16180	1.4
455.17090	0.8
473.18356	1.5
491.19141	1.2
501.17764	0.7
511.19739	0.4
513.17987	1.7
529.20746	0.7
531.19177	0.6
539.19647	1.9
557.20526	2.1
565.20770	0.4
575.21179	2.5
576.21362	0.4
603.21631	1.3
639.56396	0.4
643.22839	0.4
659.25049	0.5
661.23407	0.8
669.23621	0.5
687.24396	2.7
688.25653	0.4
705.25519	3.6
706.25311	0.8
733.24847	2.6
734.25677	0.5
741.30298	0.4
765.27625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	19.8
59.01373	4.0
61.98833	21.6
63.12531	0.6
69.03454	2.5
71.01393	5.5
72.99300	7.6
73.02997	0.8
81.03458	2.2
81.05643	0.7
83.05035	2.8
85.02959	9.0
87.00867	2.3
88.98801	0.7
93.02934	0.8
93.03449	4.5
95.05020	2.8
96.80734	0.8
97.02953	2.4
98.20663	1.6
99.00884	14.6
99.04533	2.2
101.02447	100.0
102.02795	1.3
103.05520	1.0
107.05029	2.5
109.02950	3.1
109.06618	0.8
111.04530	8.7
113.02439	2.2
119.05034	1.6
121.02955	6.5
121.06593	2.5
123.04527	5.5
125.02452	4.1
125.06120	0.7
127.04011	3.1
133.06526	1.1
135.04472	1.5
137.06067	2.0
139.04028	1.7
147.04529	60.1
148.04851	2.9
149.06119	4.6
151.04019	3.0
161.06084	1.4
162.90916	0.7
165.05563	3.7
167.03516	2.1
167.07202	0.7
169.12373	1.1
171.10349	0.9
175.04012	1.4
176.04771	0.8
177.05595	1.2
183.06720	0.7
193.05074	7.5
194.05769	2.6
197.11896	2.2
209.11858	2.1
211.06082	5.4
309.20938	1.0
350.85962	0.8
453.15317	1.7
455.16864	0.8
468.02536	0.7
473.18008	2.4
488.85175	0.8
513.17639	2.5
539.19208	1.3
555.18616	0.8
557.20197	0.9
575.21350	3.2
576.20941	1.0
593.22150	1.3
603.20685	5.8
661.23016	1.5
669.24341	1.2
687.24512	4.4
705.25244	5.4
706.25970	1.2
733.25031	80.4
734.25256	16.5
769.39777	2.4
769.53906	0.9
801.43335	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
61.98830	100.0
62.98531	0.1
70.87679	0.1
71.01379	0.2
85.01040	0.1
85.02975	0.2
88.98807	0.1
98.20752	0.2
99.04539	0.2
101.02444	0.2
115.00383	0.1
121.02952	0.1
147.04567	0.2
151.04071	0.1
208.33968	0.1
209.11841	0.1
226.71719	0.1
315.24298	0.1
360.50372	0.1
403.24741	0.1
740.33344	0.2
800.36188	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	801.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	12.7
59.01378	5.5
61.98537	1.8
61.98829	22.2
71.01368	3.7
72.99295	2.0
77.64016	0.9
78.36855	1.0
79.49432	1.0
83.05030	2.2
84.62305	1.3
85.02959	1.5
87.00867	2.4
88.98793	1.7
95.05029	1.6
95.71198	1.0
96.96019	7.0
99.00889	6.4
99.04508	2.2
101.02441	100.0
102.02784	2.3
109.02900	1.8
111.04496	1.8
112.98560	1.4
121.02951	13.6
123.04522	2.7
125.02456	1.0
135.04575	1.9
147.03366	2.2
147.04521	41.1
148.04892	2.3
151.04008	2.0
171.10216	1.5
177.05562	1.7
193.05045	4.4
194.05815	2.3
197.11711	1.4
209.11786	3.4
211.06107	4.6
273.77045	1.2
403.05878	1.2
404.80923	1.2
455.16840	1.2
539.19403	1.9
542.82867	1.5
575.21216	1.7
603.21112	3.0
661.22375	1.3
687.24237	1.6
705.25165	3.1
709.28546	2.4
733.25067	2.6
801.37238	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	800.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.4
59.09753	0.4
60.99323	0.4
61.98829	100.0
69.03468	0.4
71.01389	1.5
71.94443	0.4
72.39993	0.3
72.99274	0.4
81.02192	3.4
82.02982	2.1
83.05017	0.5
85.02956	1.3
87.00883	1.0
88.98839	0.7
89.00696	0.7
96.95998	1.4
98.20037	1.5
99.00857	0.4
99.04520	14.4
99.39606	0.3
101.02436	1.2
111.04453	0.5
115.00373	0.3
119.03494	0.3
121.02902	0.3
123.04445	0.4
134.03680	0.6
147.04552	0.9
150.05600	0.9
158.06052	0.4
159.06920	0.8
160.01549	0.4
167.05850	2.4
168.06627	1.5
192.50218	0.4
209.11795	0.5
211.04836	0.4
214.12312	0.5
226.08829	0.4
227.09473	1.4
245.10583	0.5
268.13412	0.4
295.15515	1.0
426.82501	0.4
473.95126	0.4
552.23230	0.7
562.27960	0.6
564.26849	0.3
604.28314	0.4
622.30115	1.5
624.30933	0.5
640.31458	2.1
646.29767	0.8
664.30939	1.5
682.32056	1.5
687.30109	0.6
724.33740	1.9
725.33789	0.6
740.33521	1.0
768.32428	3.3
769.32642	0.6
782.33087	0.5
800.34930	27.0
801.35333	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	800.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
61.98829	100.0
62.98542	0.1
68.99567	0.2
69.03428	0.1
70.35860	0.1
71.01389	0.4
72.99309	0.1
75.00867	0.2
76.37260	0.1
79.36536	0.1
87.00933	0.1
89.02445	0.2
94.56626	0.1
96.96022	0.3
99.04517	0.3
101.02488	0.2
112.98592	0.2
121.02984	0.2
124.98846	0.2
133.01495	0.1
142.99887	0.3
147.04550	0.4
170.19547	0.1
211.13449	0.1
351.00815	0.1
615.28326	0.2
783.38568	0.1
800.38306	0.3
801.39850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
61.98829	100.0
71.01389	0.2
71.53452	0.1
85.10340	0.1
86.57696	0.1
92.48107	0.1
99.00877	0.2
104.97422	0.1
107.55032	0.2
110.25095	0.1
140.15962	0.1
147.04576	0.7
147.18236	0.1
148.04860	0.3
159.25818	0.1
163.54868	0.1
166.70891	0.1
171.29977	0.1
207.10318	0.3
209.11801	0.4
210.12149	0.2
211.13464	0.4
247.04559	0.1
293.21329	0.3
298.00238	0.1
433.52249	0.2
471.85349	0.2
764.32141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.2
59.01375	1.6
60.01713	0.2
61.98829	100.0
68.99544	0.1
71.01389	0.3
75.00853	0.2
80.03348	0.1
85.02961	0.2
95.04957	0.1
96.95993	0.7
98.19762	0.2
99.00902	0.2
99.04529	0.2
101.02448	0.7
105.69986	0.1
109.02985	0.1
111.57943	0.1
112.98592	0.2
121.02966	0.4
125.02402	0.1
125.47482	0.1
131.02063	0.1
133.58983	0.1
144.34364	0.1
147.04530	0.8
209.11728	0.2
210.35439	0.1
269.94958	0.1
473.87204	0.1
733.25226	0.7
748.68268	0.2
800.37781	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
59.01381	33.1
61.98830	100.0
65.64886	1.1
69.03452	1.4
70.38702	2.6
70.39070	2.0
71.01374	7.8
72.99299	5.3
73.07324	1.1
78.95907	1.6
81.03468	1.1
83.05022	2.3
84.49620	1.1
85.02935	4.6
87.00866	3.9
87.04527	1.9
88.98756	2.5
89.02446	5.1
91.34748	1.0
93.03454	1.2
96.95969	3.7
97.02940	1.2
99.00892	2.3
99.04510	3.5
101.02434	3.4
108.67669	1.1
109.06529	1.1
113.02424	1.5
117.03473	1.3
119.03495	1.1
121.02932	2.5
121.06586	1.1
125.02395	1.7
128.03546	1.4
134.03726	9.6
135.02994	3.5
135.04567	2.3
142.99809	1.1
147.04498	4.0
149.06070	2.3
160.01582	1.7
175.04012	1.2
179.03502	2.0
187.11273	1.5
193.05046	4.9
209.11816	11.0
210.12204	1.4
319.53809	1.3
353.24908	3.4
368.27838	1.1
397.13220	1.6
429.26190	1.7
471.27219	2.1
489.28534	39.6
490.28915	5.6
491.19180	3.8
515.26361	1.8
533.27582	14.3
534.27765	1.9
564.50525	1.3
565.18506	1.3
575.28668	6.0
593.29675	30.2
594.30298	3.3
595.21704	17.0
596.22046	3.0
619.31177	2.2
620.31110	1.6
695.32495	6.1
755.35376	5.7
799.36243	4.3
800.35211	1.5
832.32727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	3.5
59.01379	51.3
60.86592	1.1
61.98829	33.2
68.99812	1.2
71.01387	2.7
71.52357	1.1
73.02937	5.1
76.57273	1.3
79.05516	2.9
85.02937	2.4
86.00095	1.3
90.86345	1.0
91.15869	1.2
93.03431	1.4
96.95985	4.4
96.99284	1.6
103.05561	1.1
121.02963	8.0
123.04516	1.5
129.01909	3.9
135.08138	1.3
145.03044	1.2
145.06621	1.5
147.04526	35.8
148.04845	3.3
157.06552	1.8
159.08081	1.7
161.04570	2.9
171.04465	2.7
184.05272	5.5
209.11809	3.1
211.07678	1.4
291.01157	1.3
301.33325	1.1
373.20236	1.7
503.24222	2.3
545.25446	14.7
573.43817	1.4
577.27747	2.4
665.29193	7.8
666.29877	2.1
689.29462	3.9
707.30707	100.0
708.31110	19.8
721.30487	3.1
739.33698	6.3
740.33484	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	799.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.0
61.98833	6.3
63.96234	1.1
69.03460	0.8
71.01382	6.7
73.02953	1.5
78.95914	1.9
78.98583	3.2
79.95735	7.7
80.96518	44.5
81.03462	0.6
81.09644	0.5
82.96098	0.8
83.01414	0.7
83.05093	0.5
83.37977	0.4
85.02947	1.9
87.00879	2.0
89.02441	2.0
94.98087	10.4
96.96016	0.6
97.02933	0.9
98.19929	0.9
99.00920	0.5
101.02449	3.1
106.98078	2.2
113.02430	0.8
113.52592	0.4
122.97577	2.1
125.02460	1.6
134.97563	3.1
143.03578	0.5
148.99174	3.9
152.98619	2.8
152.99669	1.0
156.42790	0.5
161.04512	1.0
164.98634	6.3
167.14415	0.6
171.10260	0.7
179.05714	0.7
183.13890	6.2
193.12323	1.8
201.11234	0.6
206.99712	0.9
209.11925	0.6
211.13390	100.0
212.13739	6.2
216.92796	0.5
224.98691	1.0
225.00751	12.5
235.08142	2.0
241.01146	0.8
253.09254	4.7
255.23219	2.3
256.23920	0.6
267.19623	0.9
277.21716	58.1
278.22064	4.5
291.19705	3.4
359.24551	0.8
365.23093	0.6
380.58191	0.5
429.21069	2.8
447.22324	10.2
447.28098	0.9
448.22638	0.7
453.14212	1.6
513.30597	0.9
537.27460	1.0
707.44031	1.6
709.38354	29.6
710.38702	6.5
781.40448	7.2
782.40405	1.1
799.41541	16.4
800.41888	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	798.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	35.5
61.98829	50.2
69.18810	10.1
71.01377	4.8
75.00863	2.2
82.02982	2.6
83.01390	1.2
85.02942	3.2
88.98806	4.7
96.96012	3.7
97.06593	1.3
99.04520	32.7
100.04836	1.1
101.02468	2.9
102.05612	1.6
116.92897	1.4
120.04540	1.1
140.85426	1.1
147.04491	7.7
148.04903	1.2
158.06108	1.1
159.06953	1.8
159.08183	1.3
160.07710	1.9
171.10262	1.0
188.10841	1.3
200.10861	1.5
214.12181	2.1
230.80232	1.1
240.10316	3.6
246.11292	2.1
304.13403	1.4
328.15625	1.3
500.27176	1.3
522.24677	1.6
540.25836	3.1
582.26923	1.6
606.26892	1.9
620.32184	2.1
622.30151	11.3
623.30493	1.7
624.28430	2.1
636.31561	1.5
646.30066	2.1
662.33246	2.0
664.31281	9.0
665.30670	2.0
668.40656	1.3
672.45459	1.3
696.33148	3.0
704.34290	2.8
705.34741	1.5
706.32275	100.0
707.32654	21.0
722.35480	13.2
723.35944	3.1
724.33258	6.4
738.34955	9.4
739.35333	1.9
766.34485	21.4
767.35065	5.9
798.37756	2.1
799.37372	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27579	1.5
59.01377	16.9
61.98830	32.0
63.96391	1.5
67.73499	1.9
70.64297	3.8
70.64671	3.2
71.01372	4.9
72.99321	2.9
73.02921	2.7
77.47806	1.9
79.05547	2.1
86.10605	1.6
87.00864	2.1
93.03479	2.8
96.96013	7.3
98.20293	3.1
99.00899	9.1
99.04512	12.8
103.05507	2.1
111.04517	3.5
121.02937	9.4
121.06561	1.6
123.04509	2.7
129.01935	1.7
135.04521	1.8
147.04518	100.0
148.04889	5.7
154.99896	3.3
165.05594	2.4
173.00888	4.6
193.05006	3.2
194.05786	4.0
209.11787	2.8
211.06052	4.6
272.92395	2.2
473.18219	3.7
491.19241	6.6
545.25726	3.2
559.19641	2.8
585.21204	3.3
603.22229	4.6
612.27954	2.0
621.23486	5.1
667.25104	2.3
685.26294	2.3
689.30090	2.0
703.27795	4.3
707.30914	20.2
708.31140	5.8
731.26855	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	798.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	31.2
59.86214	0.6
61.98830	100.0
71.01388	2.3
73.02945	0.7
81.02194	5.2
82.02985	8.4
85.02938	1.0
88.98849	0.9
89.02461	0.7
96.95992	0.6
97.02966	0.6
98.20424	3.6
99.04518	35.3
101.02469	1.0
111.04485	0.7
114.05604	0.8
116.92871	1.5
121.02990	1.1
139.07585	0.8
147.04544	0.7
147.08171	1.1
150.05617	12.2
154.30348	0.7
159.06927	1.4
167.05922	1.5
168.06679	3.5
188.19734	0.7
226.08743	6.7
227.09500	28.3
228.10130	2.7
240.10397	1.0
241.11057	1.1
245.10756	1.2
256.13440	1.0
259.12231	1.5
268.13559	1.1
282.14917	1.0
295.15668	1.6
308.12845	0.9
385.59286	0.8
430.24442	0.9
478.26154	0.8
578.31738	1.6
591.26105	0.9
604.29565	1.7
622.29987	3.7
646.30408	1.7
654.33215	1.8
664.31122	6.4
665.32147	1.1
673.29260	0.8
688.31403	6.5
696.33887	13.4
697.34625	2.7
706.32281	86.3
707.32715	16.3
707.44122	1.1
738.34937	15.7
738.47583	0.9
739.36029	2.4
781.36591	1.9
798.37012	5.3
799.37793	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	797.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03176	0.3
57.03446	1.1
59.01378	100.0
59.77724	0.3
60.01711	0.8
61.92036	0.4
61.98832	6.3
63.99282	0.4
64.54121	0.3
68.30495	0.4
71.01383	6.4
72.99306	0.8
73.02956	1.1
73.78170	0.3
82.42356	0.4
83.01414	0.8
83.05010	0.8
84.02167	4.7
85.02951	4.6
87.00883	1.2
87.04526	1.2
88.98799	1.6
89.02450	3.2
95.01371	1.9
96.96032	0.9
98.20266	2.3
101.02441	4.9
110.00108	0.8
113.02450	8.9
116.69247	0.3
119.03516	2.2
120.99647	0.4
125.02420	0.4
143.03503	1.3
147.04547	0.4
151.11285	1.1
161.04552	2.0
201.80797	0.3
203.19347	0.3
209.11781	0.7
236.32036	0.4
282.48318	0.3
354.37451	0.3
355.26288	0.5
367.22647	0.4
385.27393	0.7
411.25558	0.7
429.26431	5.2
443.28067	1.7
453.26328	0.4
457.25516	1.9
471.27481	4.8
472.27795	0.6
483.27808	0.5
485.28818	1.1
489.28760	1.8
497.29044	0.7
499.27063	5.1
500.27328	0.7
513.28522	9.4
514.28998	1.2
531.29590	79.7
532.29926	13.4
541.28009	2.9
545.31183	6.4
546.31586	0.9
549.30334	1.1
573.30524	4.2
574.30725	0.8
585.30780	0.6
591.31689	1.1
592.31329	0.5
603.30817	0.4
737.33344	0.6
773.30078	0.4
824.57349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43353	0.2
59.01382	100.0
60.01716	1.2
61.98832	11.6
69.13887	2.8
71.01417	0.5
75.17609	0.2
84.61228	0.3
85.02957	1.4
88.98803	0.3
95.49006	0.3
99.04532	1.1
116.92908	0.3
121.02959	11.1
122.03334	0.4
147.04523	4.7
147.20695	0.3
178.25294	0.3
209.11940	0.3
225.09242	0.4
234.07341	0.3
277.46909	0.4
324.64487	0.4
403.19522	0.3
463.21378	0.4
501.23074	0.9
519.24329	0.4
531.48834	0.3
559.23492	0.5
577.25006	0.3
579.25690	0.4
585.24713	1.5
603.26636	0.4
619.25885	0.7
627.26385	0.3
645.27155	2.6
705.29584	1.0
737.31915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	65.5
57.22437	0.6
57.92026	0.6
58.03783	1.6
59.01382	67.6
69.75931	2.1
69.76342	1.8
71.01385	17.5
73.02943	5.3
81.03459	1.4
83.01400	3.3
85.02953	12.7
87.00868	0.8
87.04485	1.0
89.02448	4.4
95.01418	1.6
98.20227	2.0
99.00896	2.9
99.04523	60.7
100.04895	1.1
101.02448	29.4
102.02821	0.7
103.04023	4.9
113.02451	8.0
119.03490	1.6
119.83486	0.6
125.02455	27.9
129.01949	4.0
141.96449	0.6
143.03506	5.2
147.03004	6.0
147.06630	4.2
159.02969	1.9
161.04556	11.1
191.01964	2.3
203.97878	0.7
233.10379	0.9
247.08301	1.0
251.11345	24.7
252.11717	1.8
265.09280	2.1
291.14618	1.0
293.12402	20.9
294.12866	1.2
299.60428	0.7
309.15582	0.7
332.97095	0.7
333.15552	5.8
351.16565	2.5
395.15573	100.0
396.15976	7.7
456.89584	0.8
510.75095	0.9
549.95123	0.7
618.81061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80097	0.3
59.01379	100.0
60.01716	0.9
61.98828	6.5
69.03462	0.3
70.05640	0.2
71.01383	0.3
72.99325	0.5
85.02965	1.1
85.93420	0.2
87.00894	0.4
93.03434	0.4
96.96037	0.3
97.02981	0.3
99.00871	0.5
99.04522	0.3
107.05058	0.3
109.06639	0.2
119.04998	0.4
121.02952	9.8
123.04513	0.3
126.55236	0.3
127.04046	0.2
147.04515	11.0
148.04861	0.5
193.05121	0.4
193.74677	0.2
211.06245	0.3
237.19145	0.3
257.31729	0.2
427.17783	0.6
457.18884	0.3
463.21552	0.4
501.23041	0.8
575.23108	0.5
577.24872	0.3
579.26740	0.4
585.25641	0.7
603.25763	0.4
605.24042	0.5
619.25641	0.4
645.26947	1.8
646.27911	0.5
663.28119	0.6
705.29047	0.7
753.29834	1.0
797.28754	0.7
798.29175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.9
61.98830	100.0
62.98523	0.8
63.99247	0.6
67.38564	0.5
69.03469	0.9
71.01369	2.3
72.99310	2.4
73.01181	0.6
73.02892	0.5
81.03474	0.7
83.01400	0.6
85.02955	1.5
87.00904	1.6
91.26896	0.4
91.27785	0.4
93.03478	2.1
95.01404	0.6
95.05049	1.5
97.02962	1.1
98.20253	3.0
99.00884	5.4
99.04510	1.1
99.95170	0.4
101.02467	0.4
103.05540	0.9
107.05024	1.1
109.02973	1.5
111.04523	2.3
115.29260	0.5
115.74632	0.5
116.92954	0.5
119.05054	1.2
121.02957	8.4
121.03773	0.7
121.06635	1.2
123.04528	3.3
125.02420	0.4
127.04089	1.1
135.04498	0.7
137.02513	0.8
137.06104	1.1
139.03984	0.7
147.04527	45.9
148.04819	1.1
149.02444	0.6
149.06107	2.5
151.04018	1.2
159.04474	0.5
161.06070	0.6
165.05559	1.4
167.03528	1.2
175.03987	1.1
177.05574	1.6
188.04512	0.5
193.05078	3.9
194.05760	0.8
203.07280	0.8
209.11884	1.7
211.06137	1.8
220.28328	0.4
229.17809	0.5
233.09892	0.6
246.08931	0.7
291.19687	0.9
401.20255	0.4
527.20734	1.2
545.21277	0.6
571.23218	1.4
647.26904	0.5
675.26489	1.5
693.27100	1.5
701.27765	1.3
719.28625	2.9
737.29517	6.7
737.41473	0.8
738.30402	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	796.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.0
61.98828	100.0
62.98527	0.2
69.15482	0.4
69.15887	1.4
71.01386	0.5
72.99319	0.4
73.01174	0.4
83.05060	0.2
85.02930	0.4
87.00869	0.3
93.03482	0.4
97.02995	0.2
99.00876	0.9
99.04545	0.3
102.45890	0.2
109.02956	0.2
111.04483	0.3
113.19051	0.2
119.05029	0.3
120.74268	0.2
121.02956	1.2
121.06602	0.2
122.08154	0.2
123.04512	0.5
124.38044	0.2
137.06078	0.3
147.04512	7.2
147.05673	0.4
149.02443	0.2
149.06067	0.4
151.04007	0.4
167.03607	0.2
177.05600	0.2
193.05104	0.5
223.86966	0.2
294.00488	0.2
462.39911	0.2
552.86273	0.2
675.26685	0.4
693.27106	0.3
719.28699	0.8
737.29645	1.6
764.64661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
61.98829	100.0
62.98534	0.2
74.78384	0.1
80.47733	0.1
85.02957	0.4
86.36269	0.1
88.98832	0.1
90.20500	0.1
98.20650	0.2
99.00882	0.1
99.04532	0.1
115.52342	0.1
137.09476	0.1
140.87813	0.1
144.29271	0.1
147.04547	0.1
177.89534	0.1
573.22778	0.1
574.23169	0.2
715.30902	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	796.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.9
60.38834	0.1
61.98830	100.0
62.98537	0.3
69.03445	0.2
71.01392	0.5
71.52441	0.2
72.99317	0.5
81.03485	0.1
85.02971	0.4
87.00897	0.3
93.03483	0.4
95.05052	0.2
96.95998	0.2
99.00866	1.3
99.04520	0.2
103.05565	0.2
103.65823	0.1
104.01688	0.1
109.02985	0.3
111.04512	0.4
115.70478	0.1
119.05023	0.4
121.02961	2.1
121.06600	0.4
123.04550	0.6
127.03954	0.2
135.04568	0.2
137.02428	0.2
137.06088	0.3
137.27621	0.1
139.04051	0.2
147.04523	11.2
149.02512	0.2
149.06067	0.8
151.04030	0.3
153.01848	0.2
165.05638	0.4
167.03513	0.2
175.03909	0.2
177.05620	0.3
185.06122	0.1
193.05077	0.9
194.05856	0.2
203.07205	0.2
211.06117	0.4
219.29378	0.1
227.12578	0.1
274.57263	0.1
379.15762	0.1
405.17075	0.2
480.10364	0.1
518.69531	0.2
527.21149	0.2
537.77997	0.1
545.22278	0.2
553.22937	0.2
571.23737	0.3
597.25305	0.2
675.26355	0.5
693.27832	0.5
701.28021	0.3
719.29047	1.0
737.29755	2.2
746.71558	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	796.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.9
59.37951	0.1
61.98832	100.0
63.99269	0.2
72.99347	0.1
75.00898	0.2
76.66106	0.1
88.98831	0.1
96.96041	0.2
99.04517	0.4
100.46646	0.1
101.91829	0.1
121.02978	0.5
132.97678	0.1
147.04518	1.9
148.04858	0.1
184.05293	0.7
184.19333	0.1
245.91046	0.1
263.85547	0.1
297.18079	0.2
601.87012	0.2
613.28192	0.3
657.27399	0.4
662.44720	0.2
689.29346	0.2
701.26068	0.3
733.28693	2.7
734.29193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.1
61.98831	100.0
71.01370	0.8
71.52303	0.6
83.01409	0.7
83.05056	0.5
83.56258	0.5
85.02963	2.0
88.98801	1.0
93.51989	0.5
96.96008	0.7
99.00946	0.6
99.04562	0.8
111.04505	0.7
115.05528	0.5
115.12029	0.5
116.92898	1.0
119.05004	0.8
121.02974	2.0
123.08201	1.0
131.05054	2.2
133.06618	2.4
145.06552	0.6
145.43335	0.6
147.04527	15.6
148.04877	0.8
148.79053	0.5
159.08113	0.6
161.06113	3.4
171.04523	1.1
173.06102	0.7
209.11789	2.7
210.12207	0.9
213.09312	0.7
222.43102	0.6
269.00195	0.6
280.31293	0.7
605.27631	0.9
615.26660	0.8
647.28583	0.7
657.27832	1.2
676.08911	0.6
689.29620	3.2
690.30682	1.1
711.29822	1.1
733.28705	22.0
734.29083	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	795.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01717	1.1
61.98830	27.4
70.90306	0.7
70.90627	0.3
71.01383	3.3
73.02944	0.6
83.01425	0.4
88.31527	0.3
96.96049	0.7
98.22423	0.3
99.00883	8.8
103.05566	0.5
119.05051	0.6
121.02950	0.4
125.67918	0.3
135.04625	0.3
145.06610	0.4
147.04529	37.7
148.04868	2.1
157.06548	0.4
157.41844	0.3
171.08234	0.4
173.06177	0.6
174.11497	0.3
185.06212	0.4
199.07553	0.4
213.05251	0.3
217.08722	0.5
233.09680	0.5
243.10403	0.5
277.08893	0.4
348.61008	0.4
474.05569	0.3
543.24048	1.4
551.25171	0.4
569.25531	0.8
587.26691	0.7
607.30579	0.7
617.29413	0.7
635.29791	2.0
636.30798	0.4
663.29846	0.8
664.30872	0.3
673.29089	1.3
689.31317	1.5
691.29333	3.7
692.30011	0.7
699.29303	1.5
707.32648	0.7
717.30780	6.4
718.31439	1.3
735.31671	16.1
736.32080	5.0
736.44458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.4
59.01380	84.1
60.99285	2.6
61.18780	0.9
61.98829	100.0
70.60612	0.9
71.01363	3.6
72.99312	2.8
73.02940	1.9
75.00867	6.8
83.05018	1.7
85.02938	3.6
87.00855	3.6
88.00391	1.7
88.98798	12.5
89.02421	2.1
93.03410	1.1
96.96026	4.6
98.19977	4.0
98.20673	1.9
99.00883	6.0
99.04518	2.6
101.02453	7.7
111.04506	2.7
115.04010	1.5
116.92863	1.2
119.05039	1.2
121.02940	4.0
129.01936	1.9
131.08611	1.7
133.06581	1.6
135.04509	1.7
145.06578	1.5
147.04524	45.9
148.04836	2.2
157.06599	1.2
159.04449	1.2
161.06038	3.2
165.05641	1.2
167.06989	1.1
171.04460	1.1
185.06122	1.1
187.07629	1.2
189.09218	3.2
191.10718	3.2
193.08662	1.3
199.07503	1.4
201.09119	1.5
209.11832	1.5
213.09273	1.3
231.10271	1.0
241.08734	1.2
249.69545	1.0
258.45294	0.9
271.09827	1.1
273.11325	1.6
306.20325	1.0
379.19635	1.2
449.18866	1.2
489.41986	1.2
495.20724	1.6
541.67169	1.1
597.24500	1.4
625.24182	3.3
633.27277	2.7
643.25299	2.3
657.26892	7.6
675.28162	7.4
676.28595	1.9
685.26794	6.9
686.26477	1.5
717.29132	50.9
718.29547	11.3
735.29407	3.8
779.94476	1.0
821.21515	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.7
61.98828	4.0
68.99792	0.5
69.03448	1.5
69.16256	2.3
69.16685	1.8
71.01379	6.2
72.99298	0.8
73.02964	0.7
79.05526	2.1
81.03455	1.3
83.01377	0.9
83.05022	1.7
85.02950	1.3
85.25776	0.4
87.00832	0.6
93.03429	3.3
95.01389	0.5
95.05025	1.9
97.02942	0.6
99.00880	28.2
101.02434	0.4
103.05547	2.9
107.05006	1.1
108.02155	0.9
109.02951	1.7
111.04514	4.4
111.32491	0.4
113.06089	1.2
115.00370	1.8
115.01472	0.5
116.92811	0.4
119.04994	3.1
121.02967	4.1
121.06618	3.6
123.04514	2.7
123.08202	0.5
125.02360	0.5
131.05035	0.8
133.06575	0.7
135.04532	1.8
137.02454	3.4
137.06088	0.7
139.04045	1.1
143.05026	0.5
145.06516	0.5
147.04520	100.0
148.04858	3.8
149.06078	2.6
151.03986	1.4
157.06717	0.6
159.04491	0.9
159.08131	0.5
161.06056	1.6
163.04050	0.9
165.05504	0.8
167.07172	0.7
169.12274	0.4
171.08044	0.7
173.06120	0.5
175.07558	0.5
177.05595	0.8
185.06087	0.5
191.05692	0.4
193.05023	1.0
199.07631	0.6
199.11183	0.4
203.07158	0.7
209.09811	0.5
211.07797	0.7
225.09267	0.7
227.10776	1.6
233.09743	1.3
239.10703	0.5
243.06845	0.5
255.10098	0.4
260.32352	0.5
277.08990	0.5
299.12784	0.4
321.10983	0.4
343.11942	0.5
343.52078	0.5
371.11401	0.8
389.12421	3.9
390.12457	0.5
440.95319	0.5
457.19006	0.8
475.20261	0.5
485.18115	5.9
486.18887	0.8
489.22989	0.7
505.22531	0.8
515.20850	1.0
533.21594	1.0
543.24573	0.8
545.21588	0.5
571.23523	1.0
585.27075	0.5
587.23071	0.8
599.23297	0.5
603.27496	2.4
604.28357	0.5
605.23901	21.0
606.24420	3.5
615.22601	1.6
625.25159	0.9
633.23395	50.1
634.23810	9.6
635.27179	0.5
647.26459	2.7
673.25604	2.0
691.27423	0.7
692.65692	0.5
699.26007	0.6
700.27081	0.6
705.27106	1.3
713.82056	0.5
717.27094	2.0
731.28754	1.5
735.28131	17.4
736.28497	4.7
749.29279	1.9
750.30084	0.6
763.27563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79725	0.1
59.01377	1.0
61.98829	100.0
71.01395	0.2
72.99344	0.1
80.96511	0.2
90.63625	0.1
96.95983	0.1
99.00875	0.3
99.04532	0.4
108.61517	0.1
109.02966	0.1
116.92890	0.3
121.02975	0.6
128.97884	0.1
129.78877	0.1
137.02502	0.1
147.04529	0.8
162.83762	0.1
164.83632	0.3
165.01971	0.2
209.11838	0.3
274.01602	0.1
307.19223	0.2
503.19577	0.2
793.52606	0.2
794.52551	0.2
795.31055	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.98829	100.0
68.24740	0.1
71.01351	0.1
78.07792	0.1
85.02965	0.2
88.98820	0.4
96.95989	0.1
97.50562	0.1
98.20273	0.8
99.04546	0.3
100.04877	0.1
113.56477	0.1
116.92882	0.3
303.11322	0.1
486.22620	0.1
655.30927	0.2
656.30646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
60.01683	0.1
60.99324	0.1
61.01826	0.1
61.98829	100.0
62.98519	0.2
62.99253	0.1
71.01376	0.2
71.53883	0.1
85.12280	0.1
86.22950	0.1
87.00873	0.1
88.05323	0.1
88.98822	0.4
96.96031	0.2
99.04527	0.3
100.04886	0.1
113.02518	0.1
116.92869	0.1
121.02885	0.1
137.03874	0.1
150.65042	0.1
162.71873	0.1
175.29620	0.1
199.67780	0.1
305.33035	0.1
308.25430	0.1
445.21912	0.1
655.30371	0.2
656.30640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.8
61.98825	2.6
67.01884	0.4
68.99814	1.3
69.03463	0.6
69.23933	3.7
71.01378	6.1
71.89070	0.4
72.99275	0.8
78.95906	0.4
79.05532	0.4
81.03457	0.5
83.01354	0.7
83.05009	0.5
85.02940	0.9
93.03455	2.1
95.05013	1.1
97.02947	0.9
99.00879	13.7
101.02433	0.4
103.05551	0.8
107.05002	1.1
109.02942	1.1
111.04521	1.0
113.02410	0.4
115.05556	0.9
119.05011	2.8
119.08641	0.4
121.02955	4.1
121.06568	1.8
123.04522	2.5
131.05009	1.3
133.06551	1.0
135.04541	1.2
137.02452	0.9
143.04994	0.7
145.06589	1.1
147.04514	100.0
148.04832	3.2
149.06076	2.3
154.06247	0.4
157.06624	1.2
159.04515	1.4
159.08160	1.5
161.06096	1.2
161.09750	0.5
165.01990	0.5
165.05571	0.8
171.04504	0.9
171.10263	1.3
173.06049	1.4
175.04025	1.0
175.07600	1.5
177.05560	1.4
185.06085	2.3
187.07567	0.7
189.05478	0.5
199.07640	0.5
201.05455	0.6
203.07152	3.0
214.06390	0.6
221.08206	1.3
226.79211	0.5
233.09691	2.4
260.34964	0.5
265.07034	0.4
266.08850	0.4
277.08685	0.9
277.21542	0.8
280.56430	0.5
295.09851	0.9
525.22412	0.5
541.22614	0.9
569.21857	0.7
573.09998	0.4
587.23059	1.3
615.22839	0.6
629.25317	0.6
647.26166	0.6
655.27325	0.8
673.27606	1.2
675.27448	0.5
691.26971	1.8
699.25983	1.6
700.26575	0.6
701.27289	1.0
717.26746	2.5
719.28796	1.2
735.15137	0.5
735.28156	9.9
736.28058	2.8
763.27148	5.1
764.27759	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.6
61.84842	1.1
61.98835	8.8
65.77303	0.9
69.86197	2.2
69.86613	3.6
71.01012	1.6
71.01387	22.7
73.02950	2.8
80.16056	1.1
84.39890	1.0
85.02946	1.1
85.76353	1.0
86.36046	1.0
87.00859	2.1
89.02464	2.4
92.23107	1.0
97.02993	1.3
98.20314	2.8
99.00875	2.8
101.02438	4.1
103.44872	0.9
108.69705	1.0
109.06624	1.5
113.02405	1.6
119.03515	1.1
125.09701	2.6
127.11340	2.3
137.09776	1.4
144.36360	1.0
145.05101	1.3
158.36440	1.2
161.04510	2.2
163.11292	2.8
171.10272	19.0
181.12347	3.0
181.71954	1.0
199.09749	10.0
199.13376	2.9
201.11328	25.3
207.10297	10.7
225.11322	17.0
227.52324	1.1
231.41513	1.0
235.08284	9.3
241.75702	1.2
243.12416	1.8
253.09270	10.8
256.60715	1.0
277.21725	100.0
278.22198	6.7
443.18918	1.3
461.20407	2.0
479.21146	1.3
492.11841	1.1
513.30182	1.3
621.26373	1.3
695.40265	4.2
696.39648	1.2
703.39453	1.1
721.41614	6.0
739.42963	10.0
740.43628	1.8
757.43805	21.5
758.43805	3.7
793.41211	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	793.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
59.01379	20.0
61.98823	4.1
68.99826	0.9
69.03466	1.5
70.82327	0.7
71.01376	9.2
72.99321	1.0
73.02927	1.0
79.05524	2.1
80.07906	0.6
81.03474	1.3
83.05022	3.0
84.60048	0.6
85.02951	100.0
86.03288	2.4
93.03444	3.4
95.05031	2.2
96.64514	0.7
97.02953	0.9
98.19920	2.2
99.00880	27.1
99.04488	0.8
100.01205	0.8
107.05050	1.5
109.02932	1.6
111.04538	4.7
113.06087	1.6
115.00362	1.2
119.05058	1.4
121.02958	6.4
121.06599	4.0
123.04549	2.2
130.04277	0.7
131.05043	0.7
133.06548	0.9
135.04535	3.3
137.02443	2.3
137.06084	0.8
139.04021	1.8
141.62613	0.7
145.06607	0.9
145.10237	0.9
147.04523	27.8
148.04890	1.1
149.06081	2.7
151.04012	1.4
159.04539	1.6
159.08165	0.6
161.06081	1.8
165.05634	1.1
165.90962	0.7
171.08153	1.0
173.06050	1.4
175.04076	0.9
175.07576	0.9
176.04744	0.8
177.05536	1.7
183.08174	0.8
192.97244	0.7
193.04980	1.3
194.05849	1.0
195.08214	0.7
197.06129	0.9
197.09729	0.7
209.04520	1.1
209.09747	0.8
211.07620	1.2
211.11143	0.8
212.08372	0.9
215.07095	1.4
225.09152	0.7
227.07205	0.7
227.10838	2.5
229.52328	0.8
231.10133	0.9
237.09378	0.7
243.10330	0.8
247.06372	0.7
255.10274	0.8
265.08633	1.3
273.11179	0.6
281.11835	0.9
294.08957	0.9
317.13950	0.8
343.12064	1.5
371.11307	1.3
389.12363	5.0
390.12952	0.7
443.20551	1.2
453.19330	1.2
457.18454	0.7
471.20370	1.3
485.18338	7.3
499.79025	0.7
509.21783	1.0
525.21130	1.4
541.25720	5.0
543.22302	40.7
544.22614	6.0
553.20782	2.9
563.22723	0.9
571.21802	97.8
572.22211	17.2
585.24982	6.4
586.25482	1.5
611.23016	1.5
629.26697	1.0
639.26459	1.0
643.26001	1.5
655.25842	2.2
673.26508	29.0
674.26990	6.1
687.28186	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	792.308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98829	100.0
62.98534	0.2
69.27351	0.4
69.27774	0.9
79.58039	0.1
80.59164	0.1
85.02942	0.2
96.96023	0.3
98.19965	0.3
99.04498	0.4
99.17484	0.1
99.97768	0.1
121.02920	0.3
147.04546	0.2
167.45616	0.1
209.11761	0.2
289.99750	0.1
402.16714	0.2
481.95551	0.2
571.29974	0.2
613.30383	0.3
700.29224	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52012	1.1
59.01379	23.1
61.98830	43.3
69.03433	1.3
70.56596	2.0
70.56940	1.6
71.01385	7.2
75.00854	1.7
78.27126	1.2
79.05507	1.7
80.96507	3.6
81.03461	2.2
83.05025	3.2
85.02949	83.8
86.03274	1.3
87.00864	1.4
87.81795	1.1
88.98811	2.6
93.03447	3.3
95.05017	2.7
99.00874	23.5
99.04520	2.5
103.05538	1.2
109.02933	1.3
111.04501	3.6
113.06066	2.2
116.34363	1.0
116.92834	3.8
119.04974	1.4
119.08614	1.4
121.02925	7.7
121.06563	2.4
123.04468	3.0
125.02396	1.2
129.56285	1.2
131.04973	1.0
133.06578	1.4
135.04546	2.7
137.02425	2.0
139.03946	1.6
147.04527	17.8
149.06047	3.4
156.05751	1.3
159.04460	1.2
160.05238	1.3
161.06155	1.6
164.98549	1.7
167.03470	1.2
171.08138	3.2
175.07521	1.3
189.09122	3.5
215.07089	1.4
219.36624	1.3
223.07726	1.3
225.00824	1.5
227.10753	2.4
233.08224	2.6
256.57208	1.1
389.12375	9.2
485.18015	8.1
541.25909	4.0
543.22333	29.0
544.22766	4.6
571.21783	100.0
572.22150	19.1
585.25085	6.1
611.23035	1.7
643.25208	1.6
655.25299	1.6
673.26532	23.4
674.26569	4.9
684.52509	1.3
701.26300	2.0
733.28778	3.1
793.51770	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	791.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	10.6
61.98816	27.8
68.99565	22.1
71.00902	12.5
71.01238	9.2
84.03603	9.6
87.73745	8.1
90.94373	8.7
94.88619	7.8
95.15440	9.3
98.20267	15.4
101.94347	8.9
104.11563	8.7
113.04450	8.9
119.54544	8.3
127.27908	8.7
128.44350	9.6
209.11830	91.3
227.13007	22.6
277.21710	100.0
278.21970	11.4
391.09436	10.8
429.57874	10.3
704.97168	11.6
763.88879	12.6
791.43317	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.7
59.19631	0.2
61.98831	100.0
68.22999	0.2
71.00908	0.4
83.01488	0.2
85.00127	0.2
90.16342	0.2
99.04531	1.3
113.28860	0.2
133.06573	0.2
147.04567	0.3
213.09370	0.3
270.46985	0.2
427.21368	0.4
509.25449	1.9
510.26379	0.3
593.27454	1.8
594.27917	0.3
625.30243	0.6
626.31219	0.3
669.29474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98829	100.0
62.98531	0.2
62.99268	0.1
63.00178	0.1
69.16116	0.4
69.16536	0.2
98.20045	0.2
98.20735	0.1
99.04528	0.2
116.92870	0.1
145.48546	0.1
149.72917	0.1
157.59979	0.1
160.84212	0.1
198.11829	0.1
248.76833	0.1
298.04501	0.1
321.28564	0.1
333.96677	0.1
509.25330	0.1
637.26709	0.4
638.27246	0.1
649.49457	0.1
669.29340	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
61.98801	0.4
69.50716	1.1
71.01377	1.3
73.02948	0.2
79.95727	4.6
85.02938	0.5
87.00851	0.2
89.02440	0.7
95.01397	0.2
95.95273	0.3
96.96008	73.6
97.95961	0.3
98.20625	0.3
98.95596	1.6
98.96183	0.2
98.96381	0.2
101.02426	0.6
113.02446	0.4
119.05026	0.7
121.02950	0.2
122.97647	0.2
125.02456	0.2
137.09720	0.2
146.08200	0.6
149.02477	0.2
150.03191	0.5
151.03928	0.2
155.10815	0.4
165.05559	0.4
180.04218	0.2
181.04857	0.2
187.11255	0.2
195.06563	0.3
199.09750	0.6
201.05548	0.6
201.11349	0.2
261.07675	0.5
289.11133	100.0
290.11475	8.8
291.10831	2.4
330.42032	0.2
363.05521	0.2
379.16083	0.5
380.15607	0.5
567.27838	0.3
611.26923	0.3
612.26678	0.4
629.21930	0.3
675.90625	0.2
701.22150	0.2
791.33838	1.3
792.32831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	3.6
59.01381	51.3
60.99353	1.1
61.98831	23.2
71.01381	3.7
71.52737	1.7
73.02944	6.2
75.00877	2.0
78.95860	1.7
79.05537	4.8
87.00908	1.5
88.01785	0.9
88.98809	2.6
89.02426	2.1
90.44918	1.1
93.36639	1.0
95.05015	1.1
97.93133	1.6
99.00868	2.2
99.04520	85.2
99.92602	4.0
100.04837	1.1
101.06089	2.6
107.05031	2.0
114.93407	14.6
115.00381	4.5
116.92857	29.0
117.01949	3.7
117.92824	1.4
121.06581	1.0
129.01959	1.6
133.10239	1.8
137.09711	1.8
147.04533	1.6
159.08168	2.5
161.04590	2.0
171.10280	1.4
177.09184	1.2
182.47656	1.1
201.09044	1.3
210.58394	1.3
282.43982	1.2
373.20120	4.1
382.48901	1.1
455.24292	3.5
535.25433	6.2
537.28711	8.8
617.29218	4.5
649.31805	2.1
681.32983	2.2
699.33795	100.0
700.33948	22.8
718.95300	1.1
728.34021	1.9
731.36945	10.4
732.36664	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	791.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01710	0.8
61.98829	22.8
70.67532	0.4
71.78780	0.4
73.02900	0.3
77.74863	0.3
91.42939	0.3
96.96024	0.9
98.20489	2.2
99.00874	1.8
99.04516	25.5
100.04836	0.6
112.46958	0.4
114.05611	0.4
116.92874	1.9
119.03479	1.1
120.99654	3.8
129.01913	0.3
152.45027	0.3
160.05307	0.9
198.06888	0.9
199.07628	0.6
206.81735	0.4
209.11658	0.5
213.09120	0.8
223.47850	0.4
227.06950	0.4
241.08673	1.2
295.47195	0.4
367.92227	0.4
437.19571	0.6
455.20425	0.8
493.22113	0.6
509.25140	0.9
533.25586	0.6
537.24847	2.3
551.26129	0.8
553.24628	2.6
577.27789	0.4
579.25769	0.5
593.27625	3.6
621.26971	7.7
622.27222	1.9
625.30658	0.4
639.28461	0.8
653.29645	70.3
654.29901	14.3
671.31104	1.1
791.32587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	94.0
61.98831	100.0
65.08555	0.9
68.99590	1.4
71.01366	1.2
71.53258	1.3
73.02943	1.4
85.02953	31.9
87.00879	1.4
88.98799	2.0
96.95999	5.1
99.00913	0.9
99.04530	4.9
105.20233	1.0
114.05582	1.1
116.92855	2.5
121.02960	2.7
134.60028	0.9
150.03307	1.4
160.19511	0.9
162.83900	1.5
165.05598	1.1
171.10301	0.9
179.81831	0.8
183.22351	1.1
193.76520	0.8
201.11314	1.2
207.74644	0.8
209.11784	1.5
262.58289	0.9
361.91919	1.1
447.39664	0.9
523.23584	1.3
553.24384	3.1
554.24792	1.1
579.25739	3.1
593.27728	1.3
607.25616	6.8
608.25946	1.5
616.58032	1.0
639.28088	66.5
640.28430	13.4
653.29596	4.2
654.30566	1.2
728.29718	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01717	0.9
61.98829	9.5
71.01378	1.3
73.02951	0.9
75.00865	0.6
79.95734	0.5
82.34464	0.6
83.01411	0.7
85.02950	0.6
85.68993	0.4
87.00858	0.8
88.98816	0.5
96.96013	12.0
98.19806	0.7
98.20509	2.6
99.00893	1.9
99.04520	27.2
100.04865	0.8
111.04453	0.5
114.05618	0.8
116.92875	0.9
119.03535	1.3
119.07571	0.5
121.02934	0.7
125.73141	0.5
147.04532	0.6
159.04579	0.6
160.05302	1.1
171.01178	0.6
171.10292	0.6
173.28461	0.5
197.06122	0.6
198.06787	1.0
199.07672	0.8
208.06415	0.5
209.11792	1.1
211.07701	0.7
213.09244	1.0
241.08730	1.1
455.20901	1.1
481.51083	0.6
493.21902	0.6
509.25473	1.6
533.25366	0.8
537.24896	2.2
553.24670	2.5
571.25684	0.6
579.26154	0.6
593.27399	3.1
621.27039	9.8
622.27399	2.1
639.28278	1.0
653.29645	77.8
654.30042	14.3
671.30566	0.9
761.52460	0.6
791.30664	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.329
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82270	0.1
59.01375	0.7
61.98829	100.0
62.98537	0.2
69.86364	0.5
71.56940	0.1
74.26192	0.1
85.02969	0.1
96.96003	0.6
99.04533	0.3
111.99251	0.1
114.05630	0.3
115.48701	0.1
121.02961	0.2
151.59325	0.1
190.24936	0.1
493.64194	0.1
591.40131	0.1
635.29279	0.2
653.30341	0.1
814.99866	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.1
61.98830	100.0
62.98536	0.2
62.99244	0.1
68.04254	0.2
68.57757	0.2
68.99583	0.3
71.01379	1.1
72.33738	0.1
73.02929	0.2
85.02978	0.2
88.98817	1.0
96.96009	1.0
99.04533	1.2
106.88247	0.2
112.98595	0.5
114.05623	0.3
116.92838	0.3
121.02953	1.4
122.03290	0.2
147.04521	0.4
147.52097	0.2
166.28690	0.2
171.10301	1.0
172.10583	0.3
209.11844	0.2
211.13298	0.2
229.14505	0.2
253.09569	0.2
310.21240	0.3
455.24847	0.2
590.20538	0.2
656.28302	0.2
670.30585	0.2
695.30255	0.2
698.29382	0.5
730.32257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.37
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.3
61.98831	100.0
62.98539	0.8
63.99265	2.0
71.01383	2.8
75.00876	1.8
75.07919	0.5
85.02982	1.0
87.00888	1.3
88.98798	0.5
89.02441	1.0
96.96011	3.7
97.02941	0.6
99.00904	0.6
99.04518	32.6
99.92655	0.5
100.04875	1.0
101.02437	0.9
102.02872	0.5
113.02456	0.6
115.00379	0.8
116.92883	0.7
121.02966	6.8
122.03289	0.6
125.02364	0.6
135.04544	0.6
136.32262	0.6
147.04538	1.1
160.84235	2.6
171.10292	1.8
185.11775	0.8
197.11906	1.9
199.28162	0.5
201.11310	1.3
204.81123	0.5
209.11856	1.8
210.12082	0.6
211.13466	1.2
225.11331	1.4
227.12872	0.7
232.23911	0.5
235.08238	0.6
253.09196	0.8
305.25006	0.6
317.58679	0.5
327.21582	0.7
342.23761	0.6
379.19193	0.6
438.20993	0.5
449.34323	0.6
457.26074	1.5
497.25610	1.5
515.26599	1.8
531.23743	2.4
532.24506	1.1
537.24896	1.6
539.26636	2.5
597.27814	1.5
615.26422	1.9
617.27112	0.9
621.31067	0.9
637.30170	8.4
638.30542	1.5
639.31744	16.6
639.42188	0.9
640.32172	3.2
661.30164	1.4
674.04407	0.7
679.31079	2.5
697.32294	7.7
698.32648	0.9
754.16302	0.7
771.39771	0.7
789.44348	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	790.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82133	0.1
59.01386	2.3
61.98830	100.0
62.98540	0.3
69.25256	1.4
71.01398	0.2
85.02944	0.3
88.98823	0.2
90.48161	0.2
96.96017	0.6
99.04522	1.6
116.92883	0.4
121.02971	0.7
125.02463	0.2
213.09325	0.2
283.58542	0.2
427.21408	0.4
475.67749	0.1
509.25528	0.9
510.25641	0.2
542.90454	0.2
584.06842	0.2
591.29919	0.7
620.20386	0.2
623.32147	0.4
660.25488	0.3
667.31006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12004	0.9
57.03453	1.0
59.01381	83.7
60.01711	1.2
60.78228	0.8
61.98832	100.0
62.09748	0.8
63.76041	0.9
65.44505	1.0
71.01380	7.3
74.94914	0.9
74.95389	1.1
75.00858	1.5
78.95892	1.0
85.02950	1.8
88.98804	1.0
96.96020	6.0
98.19891	2.4
99.04522	26.7
109.06557	1.6
121.02972	9.2
123.04498	1.0
134.25414	1.0
135.04506	1.2
137.06004	1.1
145.02907	1.0
147.04518	2.1
161.04578	1.1
169.12332	1.2
171.10271	6.8
197.11601	1.9
198.06937	1.1
199.07657	1.7
207.10269	2.0
209.11794	2.3
213.09251	2.3
225.11295	3.2
253.09265	2.9
291.19760	1.6
308.94409	1.1
309.20648	3.4
323.60880	1.0
409.19949	1.1
427.21295	5.8
461.20407	1.4
468.93988	1.0
493.22446	5.0
494.22723	1.3
500.44916	1.1
509.25433	14.3
510.25787	1.6
537.20996	3.4
551.26367	4.4
552.26935	1.8
558.80341	1.0
569.23737	1.4
593.27612	13.0
594.27814	3.1
595.25360	2.3
637.26526	47.9
638.26758	8.7
669.29108	7.6
789.42120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.2
61.98829	100.0
64.75027	0.2
69.10625	0.2
71.01389	0.8
78.07868	0.2
78.95909	0.3
83.05048	0.5
85.02979	0.3
86.43734	0.2
96.96020	1.0
97.37664	0.2
99.04515	5.8
101.02484	0.3
103.71614	0.2
111.08193	0.5
113.02367	0.2
116.92867	0.2
121.02964	1.2
122.03316	0.2
135.04547	0.2
137.09734	0.5
147.04546	0.5
163.11282	0.2
164.83582	0.2
169.12335	0.3
171.10326	0.3
195.77875	0.2
197.11844	1.8
198.12257	0.4
209.11813	6.7
210.12196	2.0
211.13464	0.2
213.01503	0.2
219.68018	0.1
227.12772	0.9
228.13232	0.2
235.08255	0.3
242.86272	0.2
253.09305	1.2
254.09550	0.3
291.19763	0.6
292.20105	0.4
309.20679	1.9
310.21045	1.1
394.52127	0.2
443.10501	0.2
445.21323	0.3
446.21408	0.2
527.29205	0.2
555.01801	0.2
649.30115	0.2
725.31683	2.5
726.32611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01381	18.7
60.89534	0.5
61.98831	15.7
68.99856	0.6
71.01385	4.9
71.53172	0.8
72.99313	1.2
73.02940	0.9
77.03973	0.7
79.05521	0.6
83.05035	1.3
85.02941	4.2
86.03312	0.5
88.98833	0.6
95.05090	0.8
96.69783	0.5
96.95999	10.1
97.06596	0.8
98.46781	0.6
99.00871	1.2
99.04526	3.0
101.02430	1.1
107.05026	1.4
108.75953	0.6
109.06603	1.0
111.04560	0.5
119.05048	1.4
121.02956	100.0
122.03310	3.4
122.65746	0.6
129.01938	0.7
135.04541	2.3
135.08168	1.9
141.05475	0.7
143.90741	0.6
144.05852	0.9
145.02959	0.7
147.04550	3.4
151.04076	0.6
157.06517	0.6
159.08139	1.9
163.07626	0.9
165.09232	0.7
167.07089	1.6
171.10266	2.4
191.10786	1.7
193.08633	1.0
197.11790	0.6
201.11243	1.1
207.10278	0.8
209.11760	1.8
211.07651	0.5
211.13379	0.7
213.09149	0.6
225.11183	0.7
237.12845	4.7
262.66058	0.6
353.17691	0.6
380.07425	0.6
487.23297	1.0
493.22543	1.8
515.22827	2.0
535.23383	2.4
547.25519	2.0
575.25177	1.8
607.27661	3.6
608.28143	0.9
626.30835	0.6
655.27094	4.1
656.28101	1.1
679.28107	2.0
688.31628	0.8
697.28680	23.6
698.28912	5.2
729.31226	10.8
730.32202	3.6
789.43781	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.0
61.98831	100.0
63.99257	5.4
71.01385	17.3
72.99325	5.2
73.02972	2.4
78.95908	2.9
85.02976	2.8
87.04508	13.4
97.02988	2.5
98.19920	4.1
99.00893	5.9
101.02430	3.9
102.08044	2.8
111.04472	2.4
116.92784	2.7
121.02947	28.2
122.03307	7.6
123.03470	2.2
130.95007	2.6
147.04541	25.7
148.04860	10.4
149.05084	3.8
151.04019	3.0
171.10300	8.2
193.05022	4.4
197.11830	5.0
207.10222	2.7
209.11815	11.0
225.11430	4.7
307.19061	3.3
343.44235	2.5
755.26093	25.6
787.32684	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01700	1.1
61.98830	10.1
63.51990	0.7
68.99583	1.0
71.01372	6.7
71.17467	1.6
72.68744	0.6
72.74477	0.7
73.02975	1.0
78.49919	0.6
79.68169	0.7
80.02654	0.8
81.03498	0.9
83.05053	2.1
85.02975	1.8
87.00882	0.7
88.98814	0.6
89.02469	1.4
94.51737	0.7
96.96036	1.8
97.02943	1.2
99.04519	26.5
100.04865	0.9
101.02454	1.7
104.82634	0.7
109.06633	1.0
121.02928	1.4
123.04511	1.1
125.06120	1.2
137.09680	0.8
147.04506	1.8
151.11369	0.8
154.89255	0.6
161.04552	1.0
163.11305	1.6
165.12860	1.4
169.12337	14.7
171.10269	7.5
181.12445	0.9
187.11392	1.0
191.10751	0.7
197.11786	7.2
199.13612	0.7
201.11340	0.9
207.10239	1.2
209.11824	34.0
210.12199	1.7
211.13411	2.0
226.98286	0.9
227.12849	4.8
235.08197	3.7
247.20592	0.7
253.09286	5.6
289.18329	1.5
291.19690	8.5
292.20172	1.0
307.19366	1.3
309.20731	21.8
309.24249	1.3
310.21216	1.7
375.21033	0.9
405.21387	1.7
427.21524	1.6
445.20776	0.8
455.24738	1.3
491.24631	2.7
509.25531	7.2
527.28735	1.5
535.23981	2.1
541.28644	1.0
553.24463	8.8
554.24988	1.6
585.27252	3.1
591.29535	4.9
635.28583	23.3
636.28717	5.6
645.29480	2.3
667.31055	4.9
668.32056	0.8
718.91858	0.9
741.40778	2.0
759.42285	1.1
787.41669	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.2
61.98829	100.0
64.75027	0.2
69.10625	0.2
71.01389	0.8
78.07868	0.2
78.95909	0.3
83.05048	0.5
85.02979	0.3
86.43734	0.2
96.96020	1.0
97.37664	0.2
99.04515	5.8
101.02484	0.3
103.71614	0.2
111.08193	0.5
113.02367	0.2
116.92867	0.2
121.02964	1.2
122.03316	0.2
135.04547	0.2
137.09734	0.5
147.04546	0.5
163.11282	0.2
164.83582	0.2
169.12335	0.3
171.10326	0.3
195.77875	0.2
197.11844	1.8
198.12257	0.4
209.11813	6.7
210.12196	2.0
211.13464	0.2
213.01503	0.2
219.68018	0.1
227.12772	0.9
228.13232	0.2
235.08255	0.3
242.86272	0.2
253.09305	1.2
254.09550	0.3
291.19763	0.6
292.20105	0.4
309.20679	1.9
310.21045	1.1
394.52127	0.2
443.10501	0.2
445.21323	0.3
446.21408	0.2
527.29205	0.2
555.01801	0.2
649.30115	0.2
725.31683	2.5
726.32611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94913	2.2
59.01387	23.5
61.98833	100.0
71.01394	12.6
72.99307	8.5
76.93991	2.4
78.95914	3.5
80.91671	3.1
83.05057	3.7
85.02976	4.2
87.00871	6.8
87.04517	48.5
87.94750	2.7
88.98799	5.9
89.02456	5.2
93.03416	2.8
95.05045	3.8
96.96004	11.6
97.02945	4.7
98.20687	5.6
99.00895	18.2
99.04509	5.3
100.38329	2.7
101.02436	3.6
111.04539	6.6
111.08179	2.7
115.00374	2.8
121.02938	15.4
121.06605	3.8
123.04526	4.8
125.09687	2.8
139.03952	2.6
146.68031	2.7
147.04527	64.3
148.04843	3.8
149.06081	6.0
151.03943	3.4
157.65274	2.6
163.11234	2.5
169.12317	10.0
171.10260	14.6
179.07092	3.4
183.13922	3.5
193.05017	11.9
194.05762	5.3
197.11740	6.9
205.08771	3.7
209.11813	37.3
211.06094	6.2
216.17265	2.9
225.11348	5.6
227.12759	7.0
253.09250	7.8
268.12750	3.0
291.19611	6.8
303.70901	2.6
309.20663	16.3
455.16937	3.0
491.19214	66.9
492.19290	10.8
525.21344	4.7
653.67725	3.1
673.26190	8.4
691.27740	6.8
719.27246	6.1
769.40009	3.3
787.42194	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	787.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
57.03447	11.6
59.01379	17.8
69.03455	1.2
71.01009	0.8
71.01383	11.2
71.54026	0.6
72.99303	0.9
73.02935	2.2
75.00854	0.8
83.01383	2.1
83.05018	6.2
85.02945	12.7
87.00882	1.7
89.02442	54.5
90.02767	0.9
93.03440	0.9
95.01362	0.8
96.95972	0.5
99.00933	0.6
99.04514	7.3
101.02433	9.6
101.03089	0.6
101.06068	0.6
101.44666	0.4
103.04009	31.1
104.04332	0.7
106.36214	0.5
111.04519	32.9
112.04811	0.9
113.02443	7.8
113.71976	0.5
115.03960	0.6
117.05585	0.9
119.03514	4.2
120.41920	0.5
125.02454	1.9
129.05536	0.7
131.03491	2.6
134.03705	1.1
135.04520	0.6
143.03462	1.8
145.04997	0.8
149.05960	0.7
155.03496	46.7
156.03830	1.9
161.02432	0.6
161.04552	2.4
173.04532	9.0
174.04846	0.7
178.02702	1.2
179.05580	0.6
181.13348	0.5
193.05031	3.9
195.06602	4.2
221.10298	2.3
247.05696	0.6
247.08224	10.9
263.11301	0.8
265.09265	61.2
266.09589	3.3
298.67148	0.5
303.14441	0.6
337.11374	27.0
338.11832	1.9
357.11877	1.1
365.10168	0.9
365.14478	8.7
366.14825	0.7
403.12363	5.3
421.13452	100.0
422.13803	8.8
427.12314	0.5
429.13705	0.7
499.10632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99165	0.1
56.26163	0.1
59.01369	0.1
61.82542	0.1
61.98828	100.0
62.98539	0.2
64.21706	0.1
78.95918	0.2
80.96532	0.3
94.98116	0.1
116.23077	0.1
152.99605	0.1
164.94623	0.2
189.42223	0.1
202.44261	0.1
209.11839	0.2
210.12175	0.2
211.13084	0.1
242.62775	0.1
277.21832	0.4
278.22247	0.3
337.67371	0.1
354.68149	0.1
492.89389	0.1
787.26782	0.1
787.39465	0.2
810.43506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1722
Annotation	6-Hydroxyluteoin-7-(6'''-caffeylsophoroside)
Peak:m/z	Relative Intensity
57.03432	0.7
59.01382	2.2
65.00311	0.8
69.35271	0.8
69.35693	1.8
71.01366	0.6
73.86057	0.3
77.29487	0.3
78.33984	0.4
79.72821	0.3
79.95740	0.4
81.38464	0.4
82.02879	0.4
83.01387	0.6
84.74182	0.4
85.02944	2.9
96.95972	0.5
101.02419	1.7
103.03970	0.3
107.01373	1.4
108.02167	0.6
109.02959	0.9
113.02475	0.4
117.90031	0.4
121.02956	0.8
123.04521	0.4
125.02405	0.4
129.01938	5.7
130.02228	0.4
133.02895	0.4
134.03722	2.3
135.00888	0.6
135.07448	0.3
141.39018	0.3
147.02986	2.4
148.01700	0.7
149.02405	0.5
151.00365	7.5
161.04544	1.2
163.00346	1.5
167.03519	0.4
178.99864	3.7
187.04167	0.4
190.99876	0.4
191.01994	0.7
193.05104	2.6
201.05505	0.3
211.04196	0.6
226.02678	0.6
227.03441	1.5
229.05058	0.6
239.03394	0.4
243.02954	4.8
244.03760	0.6
245.04471	0.9
254.02187	1.5
255.02969	14.8
256.03323	1.0
267.88965	0.4
271.02460	30.7
272.02866	3.5
273.03915	0.7
283.02411	1.0
299.01959	0.6
300.02725	70.1
301.03461	34.9
302.03867	2.4
323.07681	1.1
323.11542	0.4
445.05762	0.4
463.08789	100.0
464.09109	11.7
620.36908	0.4
748.69104	0.4
787.20636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.3
57.03156	0.7
57.03447	13.6
59.01376	7.9
64.54916	0.4
68.99820	1.0
71.01373	5.5
72.99303	1.6
73.02906	0.4
75.00877	2.8
83.01388	2.4
84.02152	2.9
85.02946	100.0
86.03280	2.0
87.00872	0.9
89.02432	1.1
99.00886	0.7
101.02432	1.5
103.00373	1.6
111.00871	5.2
115.00385	1.1
121.03005	0.5
129.01930	6.2
133.01407	1.3
134.03729	3.7
139.60213	0.4
145.01430	0.7
147.02989	13.6
149.02437	1.4
163.03906	0.5
164.04771	1.4
172.99530	0.5
173.00838	2.8
191.01961	62.6
191.40503	0.4
192.02251	1.5
193.01434	0.6
193.05031	2.2
208.03711	1.1
209.03004	17.3
210.03351	0.7
223.04453	1.0
223.06259	4.6
341.12631	0.5
367.06741	1.1
385.07690	23.6
386.08118	2.0
420.18408	0.5
432.84048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
61.98829	100.0
62.98525	0.1
65.36432	0.1
71.01369	0.1
71.53333	0.1
78.17873	0.1
85.02976	0.1
96.96019	0.3
97.79000	0.1
99.00950	0.1
99.04561	0.1
116.97279	0.1
121.02966	0.2
147.04543	0.3
209.11926	0.1
412.66238	0.1
493.33865	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	786.264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.98830	100.0
62.98526	0.4
62.99286	0.1
63.99256	1.0
67.02994	0.1
68.99571	0.3
71.01385	0.2
76.06056	0.1
87.00915	0.2
96.96021	0.2
99.04517	0.3
101.02454	0.1
112.98562	0.2
113.02457	0.1
115.72034	0.1
117.60803	0.1
121.02974	0.4
147.04539	0.4
147.72716	0.1
148.04845	0.1
171.10281	0.2
209.11884	0.7
225.11392	0.1
241.26382	0.1
253.09221	0.1
341.23489	0.3
362.26047	0.1
378.92841	0.1
421.80060	0.1
531.24268	0.3
615.25903	0.2
753.21741	0.1
786.34552	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	786.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65125	0.1
59.01362	0.4
59.26727	0.1
60.99320	0.1
61.98829	100.0
62.98538	0.2
69.30565	0.4
69.31002	0.4
69.61671	0.1
71.01382	0.2
72.71360	0.1
73.02979	0.1
85.02934	0.2
88.98812	0.5
96.96013	1.0
99.04544	0.2
101.02484	0.1
120.65721	0.1
121.02914	0.1
130.60152	0.1
134.03732	0.1
149.06021	0.1
175.04092	0.1
209.11859	0.1
226.71436	0.1
293.12534	0.1
365.81906	0.1
537.21533	0.2
538.21814	0.2
743.39050	0.2
786.33655	0.6
787.36890	0.2
806.08905	0.1
812.56158	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
57.03438	2.2
58.00574	3.5
59.01380	45.3
61.98545	0.9
61.98833	11.8
69.32961	6.1
71.01381	47.1
72.99303	2.8
73.02943	8.1
78.95863	0.9
79.05516	0.8
80.96516	1.0
81.03438	1.7
83.01393	4.7
83.01823	0.9
83.99524	0.8
85.02462	1.2
85.02947	17.6
86.00082	1.5
87.00874	8.9
89.01942	1.4
89.02447	17.7
95.01359	3.2
95.05014	1.7
96.96017	4.5
98.08528	0.8
98.19959	1.9
98.20612	1.5
99.00854	4.8
99.04494	3.6
101.01805	1.6
101.02442	21.1
107.05007	1.1
111.04496	1.1
111.31033	0.9
113.01731	1.2
113.02455	17.4
113.06047	0.8
114.93376	1.0
119.03487	4.6
119.04949	0.9
124.05280	1.1
125.02456	1.5
129.01961	1.0
134.07320	1.2
135.04510	1.8
137.09692	3.3
143.03511	1.3
146.67151	0.9
149.05965	1.1
149.09715	5.6
150.06807	1.8
151.07625	3.7
151.48990	1.0
159.02968	1.8
159.11775	1.6
161.04578	6.7
161.12035	0.9
161.13345	15.2
162.13715	1.0
163.07571	1.0
165.09140	2.6
167.10770	29.6
171.08058	1.0
183.22900	0.9
185.09732	1.1
187.11263	30.8
188.11516	1.6
193.08627	2.6
205.12338	19.9
209.11960	1.0
229.12230	1.4
231.10211	1.2
232.80405	0.8
239.12807	3.4
244.98506	0.9
249.11278	2.7
329.15982	11.0
355.13672	1.2
373.14999	21.2
374.15338	1.2
517.27960	3.2
561.26947	15.1
562.27423	2.7
605.26007	45.1
606.26355	6.4
697.37927	1.9
741.39154	8.3
742.38092	1.0
767.30817	1.1
785.32220	100.0
786.32666	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	785.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03437	1.4
58.00584	1.7
59.01379	41.6
61.98801	1.2
64.30435	0.6
67.97133	0.6
69.50716	4.3
71.01382	36.4
72.99303	2.5
73.02948	6.2
75.00867	1.0
81.03464	1.2
83.01390	5.0
84.32108	0.7
85.02949	12.5
86.00092	2.3
87.00859	7.0
89.02448	12.5
93.07095	0.7
95.01405	3.4
95.05048	1.5
96.96041	1.0
97.02957	1.2
98.20243	2.9
99.00882	3.0
99.04497	2.5
101.01804	1.4
101.02445	22.5
107.05028	1.6
113.02447	13.5
119.03481	3.0
120.75063	0.7
123.08112	0.8
124.05263	0.7
129.01901	0.7
133.59068	0.7
137.09703	2.0
143.03468	1.2
149.09724	3.2
150.06888	1.3
151.07640	3.0
151.11316	0.9
157.06610	0.7
159.02922	1.4
159.11751	1.4
161.04584	6.2
161.09660	1.0
161.13356	13.0
165.09174	2.8
167.09329	1.4
167.10768	23.9
167.24492	0.9
168.11084	1.0
187.11276	26.0
188.11592	1.9
193.08643	1.4
193.12358	1.1
205.12320	15.8
206.12775	0.9
229.12300	1.4
231.10249	1.0
239.12904	2.7
249.11282	1.2
309.34470	0.7
329.16083	9.8
330.16241	1.0
373.15033	12.7
374.15265	0.9
432.21967	0.7
517.27893	2.4
519.20282	0.8
561.26910	11.5
562.27454	2.4
605.26031	22.5
606.26105	3.3
623.26697	1.0
665.56140	0.8
741.37378	0.9
785.32306	100.0
786.32800	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	785.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.9
61.98828	55.8
69.03464	2.6
71.01372	9.3
72.99311	9.6
73.02942	1.5
75.00874	13.4
78.95890	0.9
81.03462	3.0
83.05042	2.3
85.02960	10.1
87.00862	4.6
93.03471	5.6
95.05016	4.7
97.02946	3.2
99.00882	15.0
99.04528	2.0
101.02438	4.0
103.05544	2.2
106.04279	1.0
107.05023	2.6
109.02943	4.0
111.04520	10.4
113.02429	3.7
117.96528	1.2
119.04253	1.0
119.05026	3.0
121.02958	88.9
121.06596	4.4
122.03235	2.4
123.00871	0.9
123.04517	6.4
125.02464	4.8
127.04014	5.7
135.04514	2.4
137.06084	3.0
139.04016	2.7
147.04518	100.0
148.04854	2.7
149.06062	7.3
150.03195	1.9
151.04018	2.3
155.21657	1.0
159.04501	1.7
164.04688	0.9
165.05600	5.2
166.77200	1.0
167.03442	3.1
167.07114	1.6
169.12329	1.5
175.03972	1.4
179.07228	1.1
193.05020	9.5
194.05702	2.8
197.11833	17.7
201.09254	1.2
207.08102	1.2
209.04510	2.8
209.11847	3.6
211.06070	6.3
211.13390	2.1
253.09221	3.8
277.21643	1.3
291.19681	4.4
309.20691	9.3
433.20648	1.2
437.16315	1.5
449.38809	1.0
455.17194	1.3
473.17862	2.3
485.85123	1.2
491.19363	1.2
541.18512	1.9
559.19513	1.9
585.21039	2.4
603.22198	2.4
621.23413	1.9
689.24615	1.3
707.24988	4.2
753.25549	65.7
754.25854	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	785.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
57.03448	0.3
59.01384	4.3
61.98831	8.3
63.47721	0.2
65.03963	0.3
66.54594	0.2
67.01894	0.3
68.99809	0.5
69.03448	0.8
71.01382	5.4
72.99316	2.1
73.02919	0.3
74.47530	0.2
75.00868	0.9
77.03978	0.3
78.95891	0.2
79.05517	0.4
81.03464	0.5
83.01393	0.4
83.05020	0.7
84.46902	0.2
85.02955	2.3
87.00895	1.0
89.02425	0.3
93.03458	2.5
95.01386	0.4
95.05022	1.5
96.96023	0.7
97.02939	1.0
97.06602	0.2
99.00880	13.7
99.04491	0.9
100.01244	0.2
101.02444	0.9
103.00386	0.9
103.05547	0.2
105.07086	0.4
106.26366	0.2
107.05025	1.0
108.02159	0.3
109.02993	1.0
109.06586	0.3
111.04522	3.2
113.02434	0.7
115.00334	0.5
119.05026	0.9
121.02958	100.0
121.06506	1.6
122.03249	2.2
123.04549	2.6
123.08157	0.3
125.02454	1.0
125.06065	0.3
127.04021	0.8
133.06595	0.3
135.04539	1.2
137.02466	0.5
137.06096	0.8
139.04022	1.0
147.04523	24.0
148.04886	0.8
149.02495	0.5
149.06079	2.0
150.03212	0.5
151.04007	1.2
151.07581	0.3
153.05534	0.2
157.06519	0.3
159.04448	0.3
159.08115	0.3
161.06091	0.7
163.07709	0.2
165.05565	1.3
167.03526	0.8
167.07188	0.4
171.08145	0.3
173.06078	0.4
175.04013	0.7
176.04736	0.7
177.05582	1.2
179.07195	0.3
181.04951	0.3
185.06081	0.4
187.07520	0.4
193.05043	2.9
194.05812	1.5
197.10045	0.2
197.11792	1.3
199.07722	0.4
201.09302	0.2
203.07166	0.6
205.31993	0.2
207.08357	0.2
207.10266	0.3
209.11829	0.7
211.06104	1.9
217.08759	0.5
221.08231	0.2
253.09212	0.3
307.18887	0.3
309.11539	0.2
311.12830	0.2
374.41238	0.2
411.14392	0.4
425.16061	0.3
432.53351	0.3
437.16156	0.5
455.17325	0.5
473.18268	0.4
477.19846	0.3
533.17883	1.3
541.18823	0.4
551.20099	0.2
559.19440	1.1
577.21051	0.6
625.33807	3.6
626.34155	0.4
663.22333	0.6
667.35010	1.6
681.23761	0.4
689.23993	0.5
699.34058	0.3
707.25085	1.6
708.25159	0.3
725.25867	0.4
753.25409	6.7
754.25787	1.1
767.39063	0.3
785.40125	0.7
789.17651	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
61.98831	100.0
62.98522	0.2
63.46622	0.2
64.12642	0.2
71.01380	1.3
71.36774	0.2
73.02941	0.3
78.95905	0.2
78.98602	0.7
79.62423	0.2
79.95730	1.2
80.96517	9.0
81.03459	0.2
81.96458	0.2
82.96101	0.4
83.05019	0.2
85.02924	0.3
87.00883	0.4
94.98077	2.0
97.02962	0.3
101.02451	0.5
106.98096	0.4
113.02467	0.2
122.97604	0.4
125.02439	0.4
134.97610	0.7
148.99156	0.7
152.98630	0.8
161.04663	0.2
163.11189	0.4
164.98618	1.4
165.99049	0.2
178.88939	0.2
206.99731	0.5
209.11827	10.2
210.12173	3.8
211.12384	0.2
225.00722	3.0
226.01083	0.5
227.12990	1.0
228.13182	0.4
229.14449	0.3
235.08260	0.2
253.09251	0.7
277.21725	5.2
277.24808	0.3
278.22058	3.4
279.22278	0.2
295.70306	0.2
304.09979	0.2
514.22083	0.2
516.15442	0.2
740.39563	0.7
783.42529	0.5
784.42334	12.4
785.42438	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73177	0.3
54.81632	0.3
55.01877	0.5
59.01374	2.8
61.98833	2.6
68.99809	1.0
69.03445	1.2
71.01380	10.7
72.99315	3.8
73.02964	0.6
75.00860	1.7
77.03960	0.3
79.05521	1.0
79.43402	0.3
81.03461	1.4
83.01372	0.8
83.05022	1.8
85.02946	4.1
87.00883	2.2
89.02445	0.5
93.03446	3.6
93.72643	0.3
94.02347	0.3
94.51231	0.3
95.01426	0.4
95.05029	3.3
97.02950	2.2
98.19988	1.2
98.20663	0.7
99.00878	27.5
99.04509	1.2
99.45700	0.3
101.02446	1.2
103.00361	1.7
103.05535	2.1
105.07086	0.4
106.04237	0.4
107.05035	1.8
108.02193	0.8
109.02961	2.3
111.04522	5.5
113.02450	1.2
115.00365	0.9
119.05027	2.2
121.02957	67.0
121.06562	2.7
122.03292	1.5
123.04527	4.4
125.02441	1.8
127.03997	1.4
130.04234	0.4
131.05013	0.6
133.06609	0.7
134.03766	0.6
135.04507	1.8
137.02464	1.3
137.06122	1.8
139.03998	1.5
140.93990	0.3
147.04518	100.0
148.04860	3.9
149.02487	0.8
149.06075	4.1
150.03151	0.9
151.04004	2.5
157.06612	0.5
159.04550	0.6
159.08122	0.4
161.06084	1.1
165.05568	2.7
167.03477	1.1
167.07118	0.7
171.08124	0.5
172.62090	0.3
173.06023	0.5
175.03918	0.7
175.07582	0.6
176.04788	1.0
177.05556	1.8
179.07100	0.8
179.08615	0.6
183.06544	0.4
183.08192	0.4
185.06013	0.6
187.11266	0.4
193.05064	5.3
194.05885	3.0
199.07593	1.1
203.07141	0.9
207.08171	1.5
209.11757	0.4
211.06079	3.2
217.08807	0.3
243.91119	0.3
253.09010	0.3
291.50101	0.3
341.24585	0.3
383.14838	0.6
405.26282	0.8
411.14322	0.5
425.15558	0.4
429.15454	0.4
437.15979	1.3
455.17084	1.2
457.52960	0.4
473.18130	1.3
491.19217	1.1
503.16959	0.4
531.20410	0.7
541.18622	0.9
559.19409	1.7
577.20673	0.6
585.20776	1.5
603.22015	1.9
621.23328	0.9
663.22839	0.5
689.24017	0.8
707.24817	2.2
708.25220	0.7
725.26379	0.5
753.25403	15.3
754.25781	3.1
785.39716	2.4
786.39319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.1
59.01372	1.1
61.98830	100.0
62.98530	0.3
63.19623	0.1
63.22301	0.1
71.01376	0.2
71.75220	0.1
87.00911	0.1
88.98830	0.1
96.96014	0.1
99.00884	0.5
99.04537	0.1
101.02454	0.1
116.92921	0.1
121.02978	0.3
124.05821	0.1
147.04539	1.0
148.04884	0.3
171.10280	0.1
183.04697	0.1
187.46706	0.1
202.14993	0.1
209.11659	0.1
211.13402	0.1
230.91948	0.1
622.23718	0.1
692.24463	0.4
805.74750	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	784.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
61.98831	100.0
62.98522	0.2
63.46622	0.2
64.12642	0.2
71.01380	1.3
71.36774	0.2
73.02941	0.3
78.95905	0.2
78.98602	0.7
79.62423	0.2
79.95730	1.2
80.96517	9.0
81.03459	0.2
81.96458	0.2
82.96101	0.4
83.05019	0.2
85.02924	0.3
87.00883	0.4
94.98077	2.0
97.02962	0.3
101.02451	0.5
106.98096	0.4
113.02467	0.2
122.97604	0.4
125.02439	0.4
134.97610	0.7
148.99156	0.7
152.98630	0.8
161.04663	0.2
163.11189	0.4
164.98618	1.4
165.99049	0.2
178.88939	0.2
206.99731	0.5
209.11827	10.2
210.12173	3.8
211.12384	0.2
225.00722	3.0
226.01083	0.5
227.12990	1.0
228.13182	0.4
229.14449	0.3
235.08260	0.2
253.09251	0.7
277.21725	5.2
277.24808	0.3
278.22058	3.4
279.22278	0.2
295.70306	0.2
304.09979	0.2
514.22083	0.2
516.15442	0.2
740.39563	0.7
783.42529	0.5
784.42334	12.4
785.42438	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	784.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88611	0.3
57.03445	1.2
59.01377	15.2
60.99326	0.5
61.98829	100.0
66.36338	0.3
69.03448	0.6
70.02946	0.3
71.01377	1.1
71.42200	0.3
72.99310	0.4
75.32407	0.3
78.91868	0.4
78.95901	0.4
79.95732	1.9
80.91685	0.4
80.96522	1.1
81.02204	1.0
81.03482	0.5
82.02985	1.8
85.02950	17.8
86.03318	0.4
87.00829	0.5
88.98823	1.3
94.98100	0.9
96.96010	43.7
97.02931	0.5
99.04529	2.8
100.04863	0.5
101.02440	4.7
102.02792	0.6
104.89923	0.4
109.02991	0.4
111.04492	0.7
114.05641	0.9
116.92912	0.5
118.77174	0.4
121.02934	1.7
125.02471	0.5
139.04039	0.7
139.17989	0.4
147.04541	2.9
148.04839	0.4
150.05621	3.1
151.04053	0.4
165.05667	0.4
167.05884	0.7
168.06720	1.0
171.10234	0.4
194.05849	0.5
226.06848	0.4
226.08669	1.8
227.07335	0.3
227.09500	7.9
228.10280	0.7
312.85437	0.3
436.61282	0.4
484.16953	0.4
525.24365	0.5
564.30292	0.7
571.49335	0.4
590.27448	0.8
608.28607	1.3
632.28992	0.4
640.31531	0.8
648.31775	1.2
650.29486	1.8
666.32690	0.5
674.29535	1.7
675.29810	0.6
680.34338	0.8
682.32166	3.6
683.33099	1.0
687.30310	0.5
692.30719	24.3
693.31085	5.9
724.33563	4.6
725.34064	1.6
784.34955	1.8
785.36981	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18220	0.5
57.03463	0.6
59.01380	22.8
59.27892	0.6
61.86613	0.5
61.98830	100.0
63.99250	0.9
71.01376	1.5
72.99240	0.5
75.00878	0.9
78.73568	0.4
79.95770	0.6
80.96529	1.8
81.02179	0.5
82.03004	3.0
85.02966	1.5
87.00888	0.8
88.17453	0.5
88.98809	1.7
89.02452	0.5
94.02999	1.7
94.98165	0.5
96.96004	4.2
97.06577	0.8
99.00883	0.7
99.04519	27.1
100.04856	0.9
101.02451	2.0
107.40098	0.6
108.04551	3.5
110.06125	4.8
111.04513	0.6
115.57275	0.5
118.73736	0.5
119.03519	1.1
121.02959	1.3
123.04489	0.6
125.02429	0.6
134.12988	0.5
136.07631	0.6
147.04498	2.3
153.04370	1.2
154.05093	5.2
158.06133	1.3
172.07684	1.8
187.09995	3.7
188.10712	0.5
213.09245	0.6
216.13963	1.2
231.08951	1.0
235.43362	0.5
268.13477	2.0
269.14029	0.5
387.40903	0.5
442.12180	0.6
482.25476	2.2
491.18790	0.7
564.29877	3.9
566.28162	0.7
608.29065	2.2
624.27936	0.6
640.31744	0.9
648.31830	3.4
649.31799	1.1
650.29620	11.4
651.29944	2.0
682.32751	1.9
692.30750	25.6
693.31097	5.2
710.31787	1.2
724.33356	44.1
725.33612	8.8
752.26471	1.5
784.35876	4.9
785.36450	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	784.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
59.07027	0.1
61.98830	100.0
62.98526	0.2
63.99266	0.1
69.67701	0.6
71.01375	0.1
76.96780	0.1
88.98802	0.2
91.97312	0.1
96.96027	0.2
98.19949	0.1
101.02450	0.1
116.81507	0.1
116.92896	0.4
121.02952	0.3
126.22211	0.1
147.04530	1.0
148.04883	0.3
209.11935	0.2
351.55130	0.1
576.23199	0.1
596.45618	0.1
613.39960	0.1
664.31293	0.2
792.32031	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	784.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.98830	100.0
62.98547	0.1
70.02969	0.1
70.37442	0.4
71.01389	0.2
74.97765	0.1
78.95894	0.1
85.02955	0.2
98.20592	0.1
99.00875	0.2
101.02448	0.1
107.05042	0.1
121.02956	2.2
121.03765	0.2
122.03301	0.1
147.04494	0.7
148.00751	0.1
159.16919	0.1
179.20032	0.1
197.11897	0.1
207.08347	0.1
207.10191	0.1
209.04521	0.6
209.11891	0.4
277.21848	0.2
289.18332	0.1
307.19232	0.1
390.37946	0.1
395.22232	0.1
401.08896	0.2
445.20676	0.1
753.25439	0.5
785.18164	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	784.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.7
60.85607	0.1
61.98829	100.0
62.98532	0.2
63.99255	0.2
70.52709	0.2
71.01404	0.2
75.00872	0.1
88.98775	0.1
96.96040	0.2
99.00912	0.2
99.04509	0.5
101.02467	0.1
101.06067	0.2
115.00349	0.1
121.02957	1.2
147.04523	1.6
148.04886	0.2
148.15683	0.1
155.97836	0.1
161.06093	0.1
209.11929	0.2
211.13522	0.1
275.50104	0.1
305.33987	0.1
307.59857	0.1
377.57257	0.1
404.29776	0.1
451.88425	0.1
482.01523	0.1
506.19775	0.1
571.32043	0.1
591.26105	0.1
636.25391	0.2
660.53259	0.1
709.70404	0.1
721.29144	0.2
752.33771	0.8
784.36163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
56.01220	0.9
57.03450	86.6
58.03781	1.1
59.01382	77.4
69.64339	6.1
71.01385	21.1
72.99315	1.7
73.02956	7.5
81.03478	1.0
83.01409	4.5
83.05053	0.9
85.02962	11.8
89.02448	8.9
89.15531	1.0
95.01403	1.4
96.35007	0.9
96.96028	1.5
97.06574	1.2
99.00887	3.1
99.04522	67.2
100.04886	1.5
101.02443	40.0
102.02743	1.0
113.02468	10.6
116.22948	0.9
119.03520	2.2
125.02449	24.1
126.67895	1.0
134.03749	2.6
135.04526	1.4
137.02444	1.3
143.03506	5.4
149.09735	1.1
150.03201	0.9
151.00392	2.0
153.01915	1.6
155.02850	1.7
159.03043	1.5
161.04596	5.7
163.11304	1.5
165.05521	0.9
166.02652	2.0
168.04311	1.4
178.02687	1.5
179.14410	1.0
181.05051	2.7
183.06621	1.6
193.05013	6.0
195.13924	9.5
223.13368	3.0
235.11864	24.2
241.14444	25.6
242.14813	1.8
277.12976	12.8
283.10776	1.3
283.15457	1.8
317.16049	4.2
379.16083	84.9
380.16327	4.7
394.86310	1.0
401.18219	1.6
403.19717	100.0
404.20251	7.9
405.21375	1.4
417.15509	3.5
477.41037	1.0
562.34027	1.0
627.48651	1.0
783.28424	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.3
59.01380	67.1
60.01711	0.8
61.98831	100.0
69.03444	0.2
71.01379	1.0
72.99320	0.4
75.00870	1.6
75.13001	0.2
83.05027	0.4
85.02938	1.6
86.24310	0.3
87.00893	0.3
88.98804	0.7
95.02482	0.3
96.95995	0.6
97.02947	0.3
99.00884	2.0
99.04520	0.8
101.02409	0.8
111.04553	0.4
112.98551	0.3
113.02366	0.3
116.92831	0.7
118.17656	0.2
121.02959	8.6
122.03277	0.6
123.04479	0.3
123.73155	0.3
125.02422	0.3
127.03992	0.3
147.03416	0.4
147.04524	7.8
148.04832	0.4
209.11797	1.8
210.11978	0.8
211.13472	1.6
212.13579	1.1
309.85336	0.3
370.39166	0.3
501.22263	0.7
577.23621	0.5
579.25452	0.3
585.23846	0.9
603.24933	0.5
611.91608	0.3
617.27429	0.3
621.24567	0.3
645.26923	1.7
646.26624	0.4
663.27161	0.4
691.23657	1.5
748.53870	0.3
783.28760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53570	0.8
57.03436	3.4
59.01377	81.4
60.01703	1.2
61.98833	9.9
69.03458	1.9
71.01380	7.6
71.02437	1.6
72.99316	6.3
73.02947	3.9
83.05010	2.0
84.02164	7.8
85.02946	8.1
87.00871	2.7
87.04530	4.6
88.98762	1.0
89.02431	3.7
95.01377	1.9
95.05045	1.3
101.02435	3.1
104.94231	0.8
112.01665	0.9
113.02416	6.5
117.10549	0.9
119.03404	1.2
131.03502	0.9
151.11258	3.7
182.48418	0.9
187.11276	0.9
233.15395	1.3
279.16028	5.9
337.25006	1.4
339.23242	1.0
355.26810	1.3
385.27435	4.6
387.25351	1.3
411.25272	2.4
412.25671	1.0
413.26663	2.9
425.26715	1.4
427.28674	1.7
429.26324	5.6
431.28015	2.8
443.27863	2.6
449.55139	0.9
455.27618	1.5
457.25729	1.2
469.26120	1.1
471.27469	6.1
472.27502	1.9
473.29034	100.0
474.29529	14.2
475.26620	5.2
499.26791	3.0
517.28033	71.1
518.28412	11.0
531.29694	7.4
535.29248	4.9
559.29077	44.7
560.29352	7.1
571.29492	1.3
577.30133	76.5
578.30487	13.5
589.30066	5.3
619.31165	23.9
620.31812	4.8
621.29395	5.6
635.34644	2.1
637.32849	2.2
649.31860	2.0
650.32349	1.2
661.32092	1.2
679.33234	40.4
680.33984	6.2
697.34210	4.4
723.32556	6.5
739.35284	25.0
740.35431	6.7
783.34668	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	783.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
59.01379	100.0
60.01708	1.2
60.44294	0.6
61.98830	94.5
69.03471	0.7
69.47398	0.6
71.01370	4.1
72.99291	1.7
73.01151	0.7
73.02951	0.6
75.00859	0.8
83.01414	0.7
83.05028	0.8
85.02952	2.3
87.00878	1.0
87.04529	0.9
88.98804	2.2
93.03445	0.8
95.05038	0.7
96.96006	2.0
98.19865	1.3
98.20567	2.3
99.00888	7.2
99.04501	4.2
99.92567	2.2
101.02405	1.1
101.06046	0.8
107.05032	0.7
109.02973	0.8
111.04481	1.7
113.02441	0.9
114.05572	2.3
116.92851	12.6
117.92831	0.8
119.10922	0.5
121.02950	15.7
121.06572	0.5
123.04517	1.5
125.02373	0.7
127.03960	0.6
130.25343	0.5
135.04498	0.8
135.08086	0.6
139.03932	0.6
147.04515	15.3
149.06079	1.0
151.03941	1.2
179.07071	0.5
193.04918	1.5
194.05811	0.8
209.11847	2.5
209.13330	0.5
210.12086	1.0
211.06062	1.1
211.13222	2.1
212.13725	0.9
227.12424	0.6
447.43344	0.6
491.19318	5.4
492.18762	1.1
501.22235	0.8
577.23944	0.9
585.23383	1.6
603.24261	0.9
645.24878	2.1
691.24060	4.2
692.23175	0.6
705.28491	1.1
765.27887	0.7
783.34778	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	783.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.3
59.01380	67.1
60.01711	0.8
61.98831	100.0
69.03444	0.2
71.01379	1.0
72.99320	0.4
75.00870	1.6
75.13001	0.2
83.05027	0.4
85.02938	1.6
86.24310	0.3
87.00893	0.3
88.98804	0.7
95.02482	0.3
96.95995	0.6
97.02947	0.3
99.00884	2.0
99.04520	0.8
101.02409	0.8
111.04553	0.4
112.98551	0.3
113.02366	0.3
116.92831	0.7
118.17656	0.2
121.02959	8.6
122.03277	0.6
123.04479	0.3
123.73155	0.3
125.02422	0.3
127.03992	0.3
147.03416	0.4
147.04524	7.8
148.04832	0.4
209.11797	1.8
210.11978	0.8
211.13472	1.6
212.13579	1.1
309.85336	0.3
370.39166	0.3
501.22263	0.7
577.23621	0.5
579.25452	0.3
585.23846	0.9
603.24933	0.5
611.91608	0.3
617.27429	0.3
621.24567	0.3
645.26923	1.7
646.26624	0.4
663.27161	0.4
691.23657	1.5
748.53870	0.3
783.28760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.5
55.12322	0.7
57.03448	19.0
59.01383	10.2
60.99302	1.7
61.98831	44.6
62.93572	0.8
68.99815	2.9
69.03455	2.9
71.01387	8.0
71.05019	3.4
71.53729	0.8
72.99309	1.3
73.02953	2.3
75.00870	1.4
81.03456	4.8
83.01378	2.6
83.05030	3.2
85.02941	5.5
87.00877	3.6
88.98804	8.6
89.02449	7.1
93.03463	4.4
95.01395	1.0
95.05041	6.1
96.96009	3.0
97.02953	7.1
99.00893	2.8
99.04523	47.3
100.04852	1.1
101.02444	100.0
101.53177	0.8
102.02790	2.1
107.05045	2.5
108.02151	2.0
109.02968	5.3
109.06589	1.0
111.04528	11.2
113.02462	2.6
113.06102	2.3
116.92858	0.9
119.03522	0.8
119.04993	1.6
121.02969	5.5
121.06590	0.9
123.04530	9.8
125.02451	11.7
125.06036	1.1
127.03981	2.0
135.04555	1.4
137.02455	2.4
137.06081	2.2
138.72734	0.8
139.04015	23.6
141.05618	4.9
147.04526	50.2
148.04855	2.6
149.06084	3.3
150.03262	1.0
151.04016	9.6
157.05031	2.4
165.05559	2.2
167.03494	3.3
169.05025	3.7
171.10304	1.4
175.03961	1.0
175.07613	1.6
177.05499	1.0
193.05107	3.0
194.05800	2.5
195.06595	2.0
203.07111	1.1
209.11804	1.6
211.06053	2.4
245.96608	0.9
303.12326	2.2
333.13443	1.0
335.11362	1.6
343.70224	0.8
350.41672	0.8
351.14679	1.3
353.12299	3.6
381.13342	3.2
425.18292	5.6
435.16589	1.6
437.16229	1.4
453.17667	5.8
463.17047	1.1
481.18481	2.9
483.16583	15.3
484.16861	2.6
509.17703	1.4
521.18231	1.3
539.18689	1.9
553.20642	1.1
565.20813	2.8
575.21387	0.9
583.21661	10.3
584.22150	2.0
593.22260	1.1
611.21283	4.2
723.26880	5.6
751.27130	1.5
783.36896	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	783.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
56.50159	0.7
57.03450	19.3
59.01384	17.7
61.98832	29.2
66.16395	0.6
68.99831	2.0
69.03459	3.9
71.01387	11.7
71.05032	3.3
71.54036	0.8
72.99310	3.5
73.02944	4.1
75.00875	1.1
81.03465	5.0
83.01395	2.6
83.05024	4.0
84.02163	1.3
85.02951	6.6
87.00867	3.1
88.98813	3.7
89.02457	7.1
90.95450	0.7
91.74776	0.7
92.20217	0.6
93.03468	4.1
95.01396	1.2
95.05038	5.1
96.96021	2.4
97.02958	7.6
97.06604	0.7
99.00856	3.4
99.04523	52.7
101.02444	100.0
102.02782	1.6
103.05530	1.2
107.05023	3.2
108.02176	2.6
109.02940	5.3
109.06617	1.7
111.04523	9.5
112.98564	1.0
113.02452	3.5
113.06052	1.7
115.00409	1.1
116.92847	2.8
117.01963	0.9
119.03435	1.1
119.05036	1.8
121.02959	6.8
121.06571	0.7
123.04533	8.1
125.02449	11.3
125.06046	1.5
127.04006	2.0
135.04485	1.3
137.02411	2.8
137.06084	2.7
139.02916	1.1
139.04016	24.9
141.05534	3.6
147.04524	52.5
147.08186	1.0
148.04889	1.6
149.06030	2.4
151.04021	10.1
152.99641	0.9
157.05055	2.1
159.08087	0.8
165.05557	3.1
167.03506	3.4
169.05109	4.4
171.10225	1.5
175.04073	0.9
175.07639	1.1
177.05563	1.6
187.07721	1.2
193.05058	2.7
194.05800	3.3
195.06647	1.9
203.07132	1.1
209.11908	2.0
211.06111	2.7
229.08742	0.9
233.71997	0.8
255.08688	1.6
261.73468	0.8
287.71024	0.7
299.41785	0.8
303.12320	2.3
305.82739	0.7
333.13394	1.8
335.11496	1.4
351.14456	2.5
353.12311	4.1
363.12375	1.0
381.13443	4.1
402.41095	0.8
407.14294	1.3
413.26770	1.4
425.18283	5.5
431.27859	1.9
435.16617	1.7
451.16537	1.1
453.17621	7.7
454.17984	1.3
455.27927	2.0
463.16861	1.3
473.28870	2.2
481.18121	2.2
483.16507	15.3
484.16821	2.1
517.27814	2.6
521.18323	2.1
524.18524	0.8
539.19360	2.6
553.20728	1.6
559.28455	0.9
565.20776	4.7
575.24261	1.2
577.30066	2.9
583.21918	11.7
584.22113	2.4
593.22101	1.2
611.21619	3.9
643.24304	1.1
679.33258	2.1
695.34924	1.7
706.22455	1.0
723.25732	5.4
724.27155	1.2
739.35596	3.0
783.36261	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	783.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
57.03440	2.4
59.01379	4.0
59.74956	0.6
60.99295	1.6
61.98832	13.5
68.99825	1.2
69.03458	1.8
71.01376	17.4
71.54233	1.2
72.99312	5.1
73.02946	11.0
75.00867	1.7
79.05568	0.7
81.03455	2.4
83.01366	1.3
83.05009	4.0
85.02948	8.3
87.00874	8.4
88.98804	5.2
89.02447	4.5
93.03436	3.7
93.90610	0.6
95.01382	1.2
95.05036	3.4
96.96010	2.1
97.02956	2.4
99.00879	27.6
99.04506	4.4
101.02438	7.3
101.36730	0.6
103.00325	1.5
103.05534	1.7
105.07109	0.8
107.05021	2.4
108.02176	0.8
109.02923	3.1
111.04523	9.6
113.02441	2.7
119.03498	100.0
119.05003	3.8
120.03837	0.9
121.02964	6.3
121.06575	4.7
122.03792	0.9
123.04520	5.4
125.02439	3.7
127.04006	3.2
131.05043	1.5
135.04498	3.1
137.02444	2.1
137.06075	3.2
139.04001	5.3
143.05008	0.7
147.04517	91.2
148.04849	4.1
149.02452	0.9
149.06070	5.8
150.03178	1.3
150.06841	1.4
151.03999	3.6
151.07631	0.7
154.23442	0.7
161.06102	2.5
161.09718	0.8
165.05591	4.2
167.03383	1.6
167.07109	1.7
169.05055	1.1
169.10211	0.7
175.03972	1.5
175.07666	1.3
176.04808	1.6
177.05582	2.2
179.07146	0.9
185.06107	0.7
187.07658	1.2
187.11273	4.5
191.07117	0.8
193.05060	8.5
194.05775	2.5
199.07631	0.8
201.05594	2.7
203.07144	2.2
205.08728	2.4
209.11847	3.1
211.06088	3.0
213.09198	0.7
215.10938	0.7
219.06584	1.1
223.06067	1.1
231.10175	1.7
249.07558	1.0
279.12473	1.2
429.15430	1.5
447.16809	1.3
455.17175	1.4
473.18304	4.4
474.18109	0.8
483.16989	1.0
491.19189	77.9
492.19540	9.5
577.59161	0.8
621.22046	3.0
727.99359	0.8
751.26013	44.9
752.26416	9.7
783.37091	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	782.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
59.01379	1.9
60.01711	0.1
61.98829	100.0
62.12434	0.1
63.83606	0.1
71.01398	0.9
71.53950	0.3
72.99321	0.4
73.02946	0.2
75.00879	0.7
83.05050	0.2
85.02955	0.5
87.00875	0.2
88.98824	0.4
89.02453	0.3
96.96011	0.5
97.02982	0.2
99.00855	0.9
99.04530	0.9
99.36001	0.2
101.02441	1.6
111.04527	0.4
114.15956	0.2
119.03532	0.3
121.02982	0.5
123.04503	0.2
132.18187	0.1
139.04034	0.3
147.04515	6.3
148.04860	1.6
149.06075	0.2
150.06892	0.4
209.11906	0.3
211.06032	0.2
354.12900	0.2
489.21823	0.2
490.21793	0.3
491.19537	0.3
500.27411	0.2
542.28168	0.2
573.22955	0.3
574.23737	1.0
672.30261	0.3
690.31293	0.4
782.35327	0.3
783.34515	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.1
60.01714	0.4
61.01813	0.1
61.98829	100.0
62.98531	0.2
66.29498	0.1
71.01386	1.0
71.70442	0.1
73.02959	0.3
75.00841	0.2
83.01420	0.1
85.02959	0.5
87.00873	0.1
88.98841	0.1
89.02461	0.1
92.02729	0.1
96.96008	0.6
98.20272	0.5
99.00887	0.1
99.04520	0.1
101.02448	0.8
101.06082	0.1
103.04033	0.1
105.96177	0.1
107.28292	0.1
113.02463	0.3
114.05613	0.8
121.02947	0.5
129.69527	0.1
147.04527	0.6
159.03024	0.1
161.04524	0.8
162.04961	0.2
169.17104	0.1
209.46280	0.1
210.06868	0.1
225.09276	0.2
301.22424	0.1
497.26056	0.1
719.26385	0.2
719.37103	0.4
720.37921	0.2
722.41864	0.6
784.16882	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	782.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.5
60.01724	0.3
61.01816	0.3
61.98830	100.0
62.98531	0.3
62.99272	0.1
63.99266	0.3
71.01400	0.1
73.02947	0.1
75.00879	0.1
78.96744	0.1
85.02970	0.2
88.98814	0.2
96.96004	0.1
96.96976	0.1
99.00871	0.2
99.04522	0.5
100.28527	0.1
101.02424	0.6
101.06125	0.1
107.00407	0.1
111.83273	0.1
113.63824	0.1
121.02994	0.2
123.04585	0.1
133.01462	0.1
147.04497	0.7
148.04855	0.1
196.97978	0.1
209.11774	0.2
434.64764	0.1
782.38055	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	781.4407
Annotation	lugdunin
Peak:m/z	Relative Intensity
59.01386	0.7
61.98827	1.7
63.96227	1.8
65.24178	0.6
69.03457	0.7
71.01386	8.1
72.78766	0.6
73.02943	1.9
78.95908	0.8
78.98579	6.8
79.95732	15.7
80.96517	83.9
82.96108	1.0
85.02943	4.5
87.00873	3.7
90.82763	0.6
91.00282	0.6
94.98083	17.6
96.96024	1.5
97.02923	1.7
98.20644	1.7
99.00947	0.7
101.02445	3.1
105.78336	0.5
106.98074	3.5
109.04790	0.6
113.02419	0.6
122.97578	3.8
125.02452	4.0
127.04025	1.2
134.97601	6.3
136.99123	1.5
148.99142	6.8
152.98637	6.7
158.16994	0.6
164.98622	14.0
206.99739	3.0
211.13361	1.9
225.00745	22.8
227.00615	0.6
255.23242	2.0
398.98999	0.6
525.20160	2.7
537.27472	1.3
763.39294	1.7
781.43976	100.0
782.44202	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	781.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.3
61.98830	5.5
65.02590	0.4
68.99570	0.5
69.03458	0.5
71.01383	3.9
71.05021	0.6
71.31695	0.3
73.02940	0.8
78.95919	0.4
78.98583	0.6
79.95728	1.0
80.96516	6.6
81.03446	0.4
85.02952	1.1
86.50986	0.4
87.00875	1.2
89.02448	1.1
94.98078	1.2
97.02951	3.7
97.06593	0.6
99.00877	5.1
101.02448	2.7
109.06600	1.0
110.03760	0.6
112.98528	0.4
113.02459	1.5
119.03493	0.4
125.02486	0.6
125.09759	1.6
134.97647	0.5
135.08130	0.6
136.05286	0.7
137.55032	0.4
142.02682	0.9
145.05077	0.7
148.99121	0.8
152.98528	0.5
157.76935	0.4
161.04564	0.9
163.11296	3.8
164.98587	1.1
179.05656	0.4
181.12337	7.2
207.10254	22.5
208.10632	1.2
225.00716	1.7
225.11311	52.9
226.11581	2.6
227.12852	0.4
235.08260	2.6
243.12361	5.7
253.09167	3.1
259.20645	0.4
275.19995	0.4
277.21707	100.0
278.22052	8.0
285.13486	0.4
443.19110	4.5
444.19617	0.5
461.20313	6.4
462.20850	0.7
477.11142	0.4
513.30615	0.9
577.37244	1.1
632.56390	0.4
653.26013	0.8
721.41681	24.6
722.41907	4.6
781.40485	9.6
782.40906	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	781.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49938	0.6
59.01379	17.0
61.98825	4.4
63.12442	0.6
68.99590	1.3
69.03440	0.6
70.83216	1.3
71.01374	4.4
73.02967	1.0
74.83129	0.5
78.94257	0.6
78.95905	1.1
79.95734	1.5
80.96519	8.0
83.01456	0.7
83.05013	0.8
85.02924	1.2
85.39803	0.5
87.00900	1.3
89.02455	2.6
94.98106	1.8
97.02952	7.0
97.06560	0.8
99.00877	10.1
101.02420	3.4
109.06599	1.4
110.03749	0.8
112.98564	1.6
113.02451	2.3
119.03471	0.7
119.43900	0.5
123.08199	0.8
125.02447	0.9
125.09716	1.7
135.08173	1.4
136.05293	1.0
142.02715	1.7
152.98573	0.6
161.04538	1.2
161.09705	0.7
163.11299	8.1
179.10803	0.8
181.12346	17.0
182.12712	1.1
197.11916	1.0
203.07620	0.6
207.10262	48.0
208.10637	2.5
225.00682	2.1
225.11320	100.0
226.11662	5.9
235.08170	1.0
243.12366	10.2
253.09251	2.4
253.36475	0.6
277.21713	86.7
278.22073	7.5
317.15964	1.3
405.23511	0.6
443.19299	4.1
461.20276	41.3
462.20551	5.3
721.41638	29.7
722.41943	8.2
781.40411	9.1
782.41156	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.1
60.45837	0.6
61.98826	3.4
63.91393	0.6
63.96232	1.8
65.10270	0.7
65.64593	0.5
71.01375	8.3
72.97218	0.5
73.02950	1.3
78.95895	6.0
78.98595	6.8
79.95737	17.6
79.96212	1.2
80.96516	81.3
81.03458	0.8
82.96080	1.1
83.05046	0.8
85.02934	3.8
87.00854	3.2
93.68118	0.5
94.98084	18.5
94.98689	1.1
95.01408	0.6
96.96023	1.7
96.96925	1.1
97.02943	1.2
99.00863	0.7
99.92558	0.6
101.02448	2.5
106.71570	0.6
106.98100	4.2
116.92847	0.7
122.97601	4.2
125.02467	2.8
127.04018	1.4
134.97572	5.5
136.99159	1.4
145.02982	0.7
148.99150	7.6
152.98622	6.3
152.99670	0.6
164.98624	14.0
186.55833	0.6
197.98137	0.5
199.13411	0.8
202.77690	0.5
206.99643	4.2
208.21280	0.6
209.11798	3.9
225.00726	25.0
227.12909	1.2
241.01141	2.2
255.23282	4.6
394.23090	0.6
438.82803	0.7
481.13745	1.0
507.15494	1.3
525.16504	1.8
537.26935	2.1
671.94348	0.7
673.07739	0.7
726.06024	0.6
737.38104	2.6
763.39404	12.8
764.39825	2.6
773.87036	0.6
781.40466	100.0
782.40796	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.0
59.01381	100.0
60.01717	1.4
60.99290	6.8
61.98830	64.0
63.97464	1.2
68.70715	1.7
69.03460	2.5
69.40363	1.2
71.01377	15.8
71.54255	1.3
72.99307	4.3
73.02946	6.6
75.00870	3.2
78.95892	2.4
83.01378	1.6
83.05030	3.5
84.02168	21.0
85.02937	9.3
87.00885	4.1
87.04520	3.9
88.98808	35.8
89.02461	7.7
90.76255	1.5
95.01402	3.2
96.96015	7.0
97.02979	1.5
97.06583	2.0
98.42210	1.3
99.04527	5.8
99.92593	1.6
101.02454	5.4
110.00164	1.5
111.00875	2.3
113.02445	9.9
115.00377	2.2
115.04012	1.7
116.92849	10.4
117.01940	3.2
117.92825	1.5
119.03518	2.7
119.04975	1.2
121.02979	1.4
121.06675	1.5
123.08131	1.6
125.02442	2.3
125.09673	1.4
131.54422	1.2
136.98918	1.5
147.04526	2.8
151.11272	6.0
161.04616	2.6
171.10271	4.3
178.99039	1.5
203.14282	2.0
209.11752	6.2
210.12248	2.1
211.13429	1.5
339.23260	1.5
357.27835	2.4
367.26431	2.3
385.27368	5.5
397.13303	2.6
401.26926	7.2
411.25461	8.0
429.26480	16.8
430.26993	2.5
443.27914	8.5
444.28641	2.2
453.26602	8.2
455.24289	1.9
469.25946	1.6
471.27444	45.6
472.27594	8.1
473.25436	2.0
475.49908	1.6
485.28992	3.0
497.25626	6.8
498.25943	1.8
515.26501	55.8
516.26709	6.1
529.28046	5.2
533.27063	2.1
557.27460	36.7
558.27509	6.6
575.28601	35.8
576.28796	6.3
587.28406	4.3
617.29663	23.5
618.30316	2.0
677.31635	58.5
678.32190	12.3
721.31207	5.4
737.33734	22.6
738.34863	3.4
781.34711	6.5
782.33704	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	781.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.9
61.98824	6.2
63.96235	2.1
66.63640	0.5
69.03458	0.9
70.84306	1.1
71.01378	8.9
73.02937	2.5
75.55465	0.6
76.57353	0.5
78.91873	0.6
78.95901	5.5
78.98592	7.8
79.05463	0.4
79.95336	0.3
79.95737	15.4
80.96517	75.1
81.03446	0.9
82.96085	1.7
83.05047	0.6
85.02933	2.7
87.00873	2.9
94.98087	18.2
96.96016	1.2
96.96978	0.7
97.02957	2.7
99.00904	0.6
101.02427	2.9
106.98083	3.2
116.92888	0.6
122.97561	3.3
125.02467	3.5
127.04037	0.9
134.97589	5.4
136.99139	1.8
148.99135	5.9
152.98619	5.6
152.99608	0.8
164.98628	14.8
170.48338	0.6
180.76318	0.6
188.98640	0.6
199.09752	0.5
199.13306	0.5
206.99692	3.2
209.11876	4.1
225.00726	24.6
226.01057	1.2
241.01048	2.1
255.23264	4.9
283.04910	1.1
333.36908	0.5
382.41287	0.6
481.13589	1.1
486.35193	0.6
507.15503	1.6
525.16260	1.8
537.27173	2.0
655.32269	0.5
695.65521	0.5
709.37823	1.2
721.64471	0.5
737.37726	1.7
763.39319	10.0
764.39716	2.5
781.40430	100.0
782.40729	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	781.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29658	0.5
59.01380	100.0
59.56716	0.6
60.01722	0.7
61.42296	0.6
61.98831	9.2
71.01395	1.1
72.99342	0.5
75.00880	0.5
78.95856	0.5
81.03455	0.5
83.05042	1.1
85.02945	0.8
88.41550	0.5
89.44923	0.5
97.02958	1.2
99.00880	0.8
99.04554	0.6
109.02924	0.6
111.00853	0.7
111.04560	0.8
115.00337	0.5
121.02958	66.2
122.03280	1.9
122.48126	0.5
131.15910	0.4
146.89993	0.5
147.04529	10.8
161.06026	0.6
194.10248	0.5
203.07211	0.6
409.20221	0.6
435.21640	1.0
436.96024	0.5
531.23846	0.7
549.24304	0.9
557.24774	1.8
575.26349	1.0
591.25928	11.5
592.26617	2.3
593.27808	0.8
601.23779	0.8
617.17987	0.9
617.27527	12.7
618.27429	2.2
619.24786	1.1
635.28467	0.6
661.26178	0.8
679.27643	4.0
680.27509	0.8
705.30463	3.2
721.28979	5.3
722.29315	1.8
737.33398	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24384	0.4
59.01380	100.0
60.01710	1.2
61.98827	1.6
65.43653	0.3
66.53334	0.3
68.99577	1.1
71.01367	0.7
71.52853	0.5
73.86520	0.3
75.57823	0.3
89.02492	0.5
112.98608	0.7
121.02987	1.6
171.70905	0.3
176.40160	0.3
207.10236	0.4
225.11394	1.0
253.09378	0.9
268.15500	0.3
277.21677	1.8
282.61880	0.4
284.14972	0.8
286.16760	2.0
471.65909	0.3
490.25113	0.4
644.48792	0.4
689.27936	0.8
721.30341	1.4
721.42200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
59.01379	21.7
69.40759	7.2
71.01374	7.1
72.99315	10.6
73.02950	1.1
83.01381	0.9
84.02170	13.0
85.02947	11.3
87.00876	39.2
89.02445	2.5
95.01392	3.9
98.19917	1.4
101.02451	2.7
110.00096	1.7
113.02455	19.3
115.04008	1.3
143.03450	1.9
151.11266	1.6
159.18785	0.8
161.04518	4.8
237.57788	0.9
247.64250	0.9
256.03619	0.9
277.14481	3.6
278.15121	6.6
279.15451	1.2
295.17261	1.0
297.22336	1.0
328.23538	1.0
381.24432	1.7
385.23569	1.1
411.25482	2.3
429.26382	7.5
449.39966	1.0
455.24557	1.6
469.25818	2.0
471.27441	38.2
472.27930	6.2
473.25308	12.6
474.25760	2.3
487.27249	7.6
497.25430	1.4
515.26471	100.0
516.26880	18.9
529.28040	31.4
530.28381	4.6
533.28290	1.3
557.27502	93.3
558.27832	16.3
569.27521	1.6
575.28644	4.9
578.97418	1.0
587.28491	8.3
617.29388	6.2
635.29742	1.4
661.44202	1.0
677.31970	3.4
721.30133	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.5
55.97780	0.3
57.03449	1.7
59.01378	14.5
69.22540	2.2
69.22947	0.9
71.01381	8.9
72.99307	8.6
73.02938	2.0
81.03471	0.4
83.01418	1.0
83.05042	0.5
84.02166	18.9
85.02948	12.1
85.61653	0.4
87.00873	31.9
87.04543	0.5
88.53709	0.3
89.02423	2.2
94.50874	0.4
95.01371	5.5
97.06608	0.6
98.20028	1.2
99.04597	0.4
101.02438	3.7
108.86910	0.3
110.00100	2.6
111.00932	0.4
112.01658	2.3
113.02446	23.5
118.16099	0.4
125.02530	0.5
131.03439	0.6
135.08189	0.5
143.03510	2.3
147.08250	0.4
161.04546	4.4
204.79044	0.3
239.84514	0.4
247.13322	0.4
259.13409	0.9
259.53406	0.4
263.12799	0.4
277.14343	4.2
278.15219	7.1
279.15732	0.8
279.21222	0.5
297.22162	0.5
321.22052	0.4
337.21347	0.4
339.23212	0.4
349.60004	0.4
359.18607	0.9
381.24329	0.7
383.22058	0.6
385.23721	0.8
393.24240	0.7
398.49713	0.4
399.25470	0.5
401.23233	0.5
411.25446	2.0
429.26535	3.3
431.24344	1.4
437.23401	0.4
439.25003	0.5
441.26584	0.7
443.24460	1.1
453.26456	0.7
455.24420	1.7
457.25766	0.6
459.27475	0.4
460.63666	0.4
469.26004	2.1
471.27496	14.1
472.27826	1.7
473.25430	12.3
474.25818	1.5
478.77908	0.4
487.26968	14.0
488.27240	2.0
497.25418	1.5
515.26465	56.5
516.26776	7.6
529.28027	44.2
530.28204	6.0
533.27301	0.8
557.27484	100.0
558.27911	16.9
567.49738	0.4
569.27179	1.9
575.28809	1.6
587.28485	8.6
588.28662	1.3
589.30322	0.8
617.29608	7.4
618.29932	1.3
677.31226	0.8
685.18347	0.4
721.30560	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	781.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.1
61.98827	17.8
65.03024	0.3
68.99842	0.4
69.03467	0.4
71.01386	4.2
71.52554	0.3
72.98885	0.7
72.99305	11.6
75.00864	0.9
81.03455	0.7
81.99339	0.4
83.05024	1.2
85.02951	2.1
87.00865	0.6
88.98798	0.6
93.03461	1.4
95.05033	0.9
97.02936	1.2
97.76926	0.5
99.00877	12.7
99.04543	0.7
101.02469	0.6
103.05544	1.3
107.05035	0.8
109.02962	1.3
111.04512	2.3
113.02441	0.6
117.71468	0.3
119.05016	1.8
121.02960	3.7
121.06599	1.1
123.04499	1.9
125.02407	0.7
133.06612	0.6
135.04541	0.8
137.02431	0.6
137.06029	0.7
139.04002	2.2
144.52498	0.4
147.04514	100.0
148.04858	3.5
149.02454	0.5
149.06084	1.6
150.03162	0.6
151.04002	1.0
153.05540	0.5
161.06065	0.5
165.05530	1.0
173.06052	0.5
175.04041	0.9
175.07602	0.6
176.04813	0.8
177.05544	1.4
179.07187	0.5
185.06204	0.4
191.03172	0.4
193.05019	1.1
194.05875	0.8
211.06110	2.7
225.09142	0.6
229.08763	0.5
241.14729	0.3
273.11371	0.4
325.60309	0.4
467.17075	0.6
485.18307	1.0
603.22852	0.6
633.23456	1.3
648.16748	0.4
737.26398	0.7
763.28632	0.9
781.27869	1.8
782.28912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
60.99313	0.5
61.98830	100.0
62.98556	0.2
68.41321	0.1
71.01415	0.2
71.29475	0.1
72.99297	0.3
73.01193	0.3
75.00865	0.2
78.91909	0.2
80.96582	0.1
83.43578	0.1
85.02972	0.4
88.98807	3.9
89.38599	0.1
94.34543	0.1
96.96033	0.3
99.00908	0.4
99.04536	0.5
101.02438	0.2
105.01925	0.2
116.92857	0.2
117.01942	0.2
119.05061	0.2
121.02970	0.4
123.28756	0.1
147.04533	2.0
148.61510	0.1
163.04123	0.1
178.05824	0.2
198.59813	0.1
209.11775	0.2
229.00732	0.2
529.89941	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81166	0.3
59.01379	2.0
61.98826	6.9
68.99809	0.8
69.03455	0.5
69.70282	0.2
71.01379	8.7
71.53225	0.3
71.53650	0.3
72.99305	12.8
75.00853	0.4
79.05512	0.4
81.03455	0.8
83.05013	1.1
85.02948	2.9
87.00884	1.7
88.98787	1.3
93.03442	1.6
95.01411	0.4
95.05016	1.3
97.02967	1.2
99.00876	28.5
99.04502	0.7
100.01208	0.6
100.04931	0.2
101.02428	0.6
103.05541	1.0
107.05034	0.8
108.02167	0.4
109.02958	1.4
109.06582	0.3
111.04518	2.8
113.02437	1.1
116.92898	0.3
119.05028	2.2
121.02956	4.4
121.06596	0.9
123.04547	2.5
125.02450	0.8
127.03989	1.1
131.05009	0.3
133.06578	0.9
134.03740	0.3
135.04524	0.8
137.02399	0.4
137.06079	1.1
139.04002	1.9
143.31601	0.3
147.04514	100.0
148.04846	4.7
149.02434	0.6
149.06081	2.7
150.03220	0.8
151.04039	1.3
157.12318	0.3
159.04524	0.5
161.06050	0.3
163.03854	0.3
163.27406	0.2
165.05550	1.6
166.02718	0.3
167.03477	0.8
167.07146	0.4
173.06047	0.4
175.03996	0.8
175.07614	0.4
176.04768	0.7
177.05560	1.9
183.06540	0.5
193.05061	2.9
194.05760	1.2
197.09846	0.3
203.07173	0.4
204.28233	0.2
211.06076	5.8
225.09291	0.3
233.09822	0.3
255.10413	0.3
273.11176	0.6
345.13522	0.4
455.17041	0.4
467.17233	1.0
485.18021	0.7
488.90228	0.3
515.20911	0.3
545.21637	0.4
603.22162	1.7
605.24237	0.3
607.96716	0.3
615.22333	0.5
633.23364	4.3
634.23730	0.7
719.25684	0.3
737.27557	0.8
745.25867	0.4
763.27264	1.4
764.28009	0.4
781.28638	3.8
782.29364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53831	0.1
55.01882	0.7
57.03451	0.6
59.01380	100.0
60.01721	0.9
60.99312	0.2
61.98831	3.7
63.02719	0.2
71.01383	13.6
71.61769	0.2
71.97257	0.1
72.99326	0.4
73.02945	5.0
75.00864	0.4
81.32522	0.2
83.01383	1.9
85.02950	5.8
85.03467	0.3
85.20457	0.2
86.00099	0.8
86.68711	0.2
87.00886	1.1
88.98805	0.9
89.02442	1.0
89.80006	0.2
95.01378	1.0
96.96019	0.3
97.02952	0.4
98.20695	0.3
99.00880	2.3
99.04482	0.3
101.02444	10.2
102.02833	0.2
111.04505	0.2
113.02450	5.9
121.02952	0.3
123.08160	0.3
125.02468	0.4
129.01956	0.5
143.03531	1.3
147.04555	0.5
159.02985	2.2
160.01578	0.2
161.04556	16.7
162.04964	0.3
171.10266	0.2
172.69896	0.2
205.03578	0.4
373.65921	0.2
525.32275	0.2
527.33813	1.0
559.32861	0.2
629.36926	2.1
630.37518	0.4
719.40082	6.1
720.40594	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.0
59.84732	0.1
60.99304	0.1
61.98830	100.0
62.98537	0.1
65.47279	0.1
69.16596	1.1
71.01418	0.3
72.99327	0.2
75.00865	0.3
85.02975	0.7
88.98812	0.2
96.96010	0.3
99.04541	0.3
101.02409	0.2
114.05566	0.2
116.92895	0.1
120.99655	1.8
121.02937	0.2
122.00061	0.1
134.58192	0.1
154.06371	0.1
163.14424	0.1
164.15814	0.1
209.11879	0.2
402.17200	0.1
547.70978	0.1
577.30249	0.2
610.26868	0.2
641.29205	0.2
642.29443	0.5
659.31152	0.4
780.34772	0.3
781.36304	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
61.98829	100.0
62.90955	0.1
62.98526	0.2
68.00110	0.1
71.01403	0.1
71.52785	0.1
72.09320	0.1
72.99318	0.3
75.00861	0.1
85.02972	0.3
88.00427	0.2
88.98809	0.5
96.96011	0.3
99.00861	0.2
99.04538	0.3
101.02477	0.1
116.92893	0.2
121.02082	0.1
121.02953	2.0
121.03761	0.2
125.68948	0.1
147.04527	0.7
148.04851	0.1
232.77237	0.1
247.12323	0.1
347.22409	0.3
395.22546	0.1
400.63882	0.1
469.25928	0.2
511.26981	0.2
528.70386	0.1
612.82916	0.1
629.28302	0.2
680.30994	0.1
701.32733	0.1
702.33087	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01720	1.1
61.98829	33.2
62.98529	0.3
63.99253	0.2
71.01382	0.7
73.02945	0.3
85.02950	0.8
87.00877	0.6
88.98824	0.5
92.76388	0.2
96.96017	0.3
97.02932	0.3
98.20596	0.4
99.00867	0.3
99.04523	1.3
101.02439	0.4
115.03999	0.4
121.02908	0.2
123.04473	0.2
147.04503	1.0
161.04518	0.4
162.83804	0.3
248.24577	0.2
267.65109	0.2
407.72256	0.2
433.16660	0.2
455.24060	0.4
473.24786	0.8
474.25015	0.2
485.32101	0.4
491.18393	0.3
497.25201	0.3
539.25745	0.8
659.38031	1.1
660.37238	0.4
665.68646	0.2
677.30298	0.8
677.39441	0.4
687.30524	0.9
688.29333	0.3
701.29218	0.4
719.32159	1.6
720.32031	0.6
747.24969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.41563	0.9
59.01379	49.6
61.98828	19.2
68.86286	0.8
68.99567	3.1
69.03434	1.1
71.01392	2.3
72.99309	2.3
73.02939	1.1
76.72629	1.0
85.02951	3.0
87.00876	14.8
88.98811	3.3
95.01376	1.0
96.95989	3.3
97.02953	2.5
99.00874	2.1
99.04515	100.0
100.04823	1.9
101.02437	2.4
109.02927	1.1
111.04498	1.0
112.98563	3.5
112.99422	0.8
115.00369	4.9
115.03986	2.9
121.02937	3.2
135.17097	1.1
147.04497	13.1
153.38280	0.9
171.10236	1.6
196.91388	1.5
209.11725	1.7
215.14401	2.2
225.09113	1.2
262.50616	1.1
287.67337	1.0
355.19077	1.7
373.20074	5.0
455.24594	9.7
457.22531	2.3
491.19623	2.1
497.25446	4.8
521.24744	1.0
525.25275	1.3
539.26428	18.1
540.26465	1.8
593.27441	1.7
599.28717	10.5
603.27893	10.9
605.26013	1.8
619.26196	1.0
645.29175	2.3
687.30145	68.8
688.30396	12.3
701.29572	2.2
716.20178	4.6
719.30139	1.2
721.31915	2.2
747.26318	4.0
779.33112	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	779.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98830	96.4
69.03445	2.3
71.01379	12.1
71.05016	1.4
71.09425	1.3
72.59303	1.2
73.02969	1.5
75.00866	11.0
78.95909	2.2
85.02954	5.7
86.22529	1.3
87.00873	7.0
88.98787	7.6
89.02485	2.1
89.58069	1.6
96.95982	6.2
96.96957	1.6
97.02985	3.5
97.06625	1.7
99.00883	9.0
99.04517	48.5
100.04877	1.3
101.02439	4.3
107.05091	1.6
115.00385	2.3
115.04014	7.1
116.92854	4.4
121.02962	4.5
129.01927	2.5
136.51048	1.4
147.04517	18.0
147.08022	1.7
157.06497	1.3
159.08156	2.3
171.08206	1.8
171.10289	1.9
199.07626	4.2
215.07115	1.9
222.01698	1.4
227.07059	2.1
307.14508	1.3
373.20123	2.3
376.40433	1.4
429.19153	1.4
450.17560	1.3
455.24368	4.1
457.22513	1.7
463.87738	1.4
473.17859	2.8
491.18979	6.5
511.23416	3.2
513.25159	3.0
527.22729	5.0
539.26416	15.3
540.27020	1.9
553.24573	2.4
555.26373	1.4
569.23621	2.6
587.25067	1.6
595.25574	13.5
597.26923	14.4
598.27484	2.5
609.26935	3.9
627.28052	28.3
628.28027	6.4
629.29553	9.2
630.30341	1.8
637.26624	12.0
645.29572	1.9
655.27618	8.5
656.27362	2.3
669.29120	31.9
670.29773	6.5
687.30194	48.4
688.30688	8.7
747.26196	2.3
779.34796	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	779.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.4
59.01380	100.0
60.01702	1.1
61.98830	10.2
64.45435	0.3
71.01378	3.3
72.99284	0.7
73.02935	0.6
75.00849	1.9
82.16216	0.3
83.01375	0.5
85.02941	0.9
87.00861	0.7
88.98825	1.8
96.96008	1.0
98.20052	1.9
99.00883	0.6
99.04522	14.5
101.02451	0.6
114.05627	0.4
115.00346	1.4
121.02931	0.7
133.01332	0.4
135.04529	0.7
161.04454	0.5
199.07584	1.0
269.08209	0.4
301.07043	0.4
311.26624	0.4
373.20438	0.9
455.24319	1.2
473.25388	0.9
513.24707	0.8
527.22772	1.0
535.23682	0.6
537.24780	0.7
539.26447	3.2
540.26782	0.6
569.23932	0.7
579.26031	0.9
587.25287	0.7
593.57617	0.4
595.25464	3.4
597.26941	2.9
598.27417	0.6
609.27173	1.1
627.28186	4.8
628.28418	1.3
629.29382	1.7
637.26440	4.5
638.26361	0.4
655.27448	3.1
656.28314	0.8
659.38391	0.4
669.29169	13.5
670.29425	2.8
677.31506	1.4
678.33563	0.5
687.30206	16.4
688.30853	3.2
701.82458	0.5
719.31732	2.2
720.32465	0.6
762.12500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51989	0.1
59.01374	0.4
59.93705	0.1
69.21411	0.5
69.21835	0.6
70.94972	0.1
71.01377	0.1
73.02917	0.1
79.95727	4.4
85.02888	0.1
95.95263	0.2
96.96011	72.6
97.95948	0.2
98.20650	0.3
98.95636	0.2
122.97565	0.2
130.34103	0.1
150.03217	0.2
165.05522	0.3
166.25197	0.1
172.67865	0.1
195.06625	0.2
289.11139	100.0
290.11465	6.6
291.11160	0.5
409.78180	0.1
509.17514	0.2
557.20276	0.2
622.58759	0.1
693.43976	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	779.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.0
59.15735	1.0
59.44799	0.9
61.83888	0.9
61.98816	2.4
64.16941	1.1
69.31352	6.8
71.01392	6.1
71.75437	1.1
73.02937	3.7
74.99086	2.6
85.02945	2.1
87.00866	2.2
89.02454	2.3
93.90916	1.0
94.06590	1.1
95.03759	2.3
96.08167	1.2
96.96011	7.5
101.02422	3.0
104.05071	1.6
106.06618	4.7
108.04549	3.3
108.08189	25.5
111.18008	1.1
113.02443	2.0
119.03492	0.9
120.04508	2.2
122.06122	10.3
124.07668	8.7
125.50127	1.0
132.04555	55.1
133.05354	22.0
134.06128	21.1
148.04015	3.4
149.04842	5.6
150.05608	28.2
152.07155	2.3
162.05608	5.9
165.04308	31.8
176.07149	3.3
186.09160	1.7
187.08656	1.3
198.09239	1.5
208.49268	1.0
212.10828	2.3
213.06731	3.5
213.10298	1.0
214.12331	4.5
215.11867	9.8
220.05753	1.0
226.07530	2.1
227.08217	3.2
227.11870	1.0
228.05338	1.2
229.09825	6.8
229.13344	3.9
239.08110	1.4
239.11922	1.8
240.10150	6.0
241.09795	9.6
242.10339	1.2
243.15163	1.0
253.13435	4.0
255.11354	8.9
257.12927	81.8
258.13251	6.0
267.11481	1.5
269.12897	2.0
271.14490	20.0
283.10873	30.8
284.11319	1.8
285.12289	1.0
287.09540	2.4
301.11935	27.6
302.12326	1.9
324.73804	1.2
327.09808	2.1
393.16446	1.3
404.20035	2.1
459.91409	1.2
515.23010	2.4
515.59430	1.1
521.94708	1.0
557.15485	1.9
557.24048	28.7
558.24127	3.5
581.23834	5.8
641.32166	1.7
761.30383	51.1
762.30505	10.2
779.31409	100.0
780.31879	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.3
59.01380	100.0
60.99308	3.0
61.98838	13.4
67.01895	2.1
68.99561	2.3
69.03450	2.2
69.22909	13.2
71.01381	13.4
73.02924	4.2
83.01389	3.4
83.05016	2.4
84.02172	9.4
85.02961	11.9
85.98328	1.2
87.00870	4.6
88.98804	11.4
89.02431	7.7
94.69444	1.3
95.01423	1.9
96.95995	6.2
97.02970	2.3
98.20625	2.2
99.00871	3.1
99.04486	6.0
101.02441	7.6
105.07072	1.3
107.08643	2.1
110.00071	2.3
111.00913	1.5
112.07629	1.4
112.98550	1.5
113.02456	7.4
115.00354	5.6
117.05646	1.5
119.03514	1.3
120.48557	1.4
121.02863	2.5
125.02384	1.6
129.01947	24.3
133.01424	7.8
133.06590	2.2
134.01730	1.7
135.08145	2.0
151.07430	1.3
151.11240	2.8
161.04601	1.3
163.11189	2.3
165.05595	1.6
171.10263	21.2
179.05513	2.4
185.09581	1.6
187.11243	3.7
209.11823	31.3
210.12296	2.4
227.12840	4.6
235.08034	1.7
271.17108	1.9
297.22208	8.6
309.22009	2.0
325.25497	1.9
337.21768	1.9
337.25424	1.9
341.21161	3.9
353.24753	7.8
355.22809	1.9
367.22601	1.9
369.24301	4.1
379.12503	2.8
379.22614	3.2
383.22186	2.1
395.21951	2.4
395.26364	1.6
397.13461	9.8
397.23511	7.2
399.25116	1.5
409.23596	2.1
410.24603	1.6
411.25253	2.8
439.24814	6.3
451.24802	8.4
469.19254	2.7
469.25922	40.4
470.26279	7.7
473.24686	1.4
495.23285	2.4
513.24939	25.9
514.25446	3.2
531.25256	2.7
531.32513	2.0
555.26025	13.9
556.26166	3.8
573.27075	49.4
574.27045	7.6
599.24719	2.1
600.25476	1.5
613.26038	2.2
615.28052	18.0
616.28430	3.4
617.25922	3.3
633.29010	2.4
657.29016	3.2
663.30408	3.0
675.30103	51.3
676.30786	10.2
693.31390	3.3
717.30219	2.3
719.29266	6.1
735.32239	28.9
736.32263	7.1
779.30975	2.6
780.31677	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	779.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	9.9
59.01379	50.9
60.99303	6.6
61.41014	1.7
61.98828	100.0
69.03436	2.3
70.74711	1.8
71.01386	14.1
72.99316	9.5
73.02949	2.4
75.00870	54.6
85.02953	12.1
87.00883	6.7
87.04517	3.0
88.98803	27.7
89.02434	3.8
93.03434	6.3
95.05028	4.9
96.95999	2.7
97.02953	5.9
99.00884	26.6
99.04521	5.2
101.02437	63.1
107.05013	5.4
109.02917	4.0
109.06564	1.8
111.04526	3.4
119.04996	6.3
121.02956	20.7
121.06588	3.1
123.04498	9.3
127.03983	3.6
135.04494	2.5
137.06075	10.7
139.03987	3.5
147.04518	79.1
147.08170	1.8
148.04950	1.7
149.06097	9.8
151.03990	6.8
158.03836	1.8
160.01579	2.4
161.06096	1.8
165.05501	7.4
167.03572	2.3
171.10300	2.1
175.03914	4.3
175.07545	2.7
176.04741	3.7
177.05508	3.2
177.09036	1.9
187.07698	2.3
193.04987	8.9
194.05817	20.5
205.08626	6.5
210.06915	2.2
211.06116	5.9
223.09685	12.0
235.07799	3.0
309.18784	1.7
363.24130	2.0
527.19177	2.9
577.22491	1.9
627.35107	2.0
659.24359	2.1
675.24298	3.6
683.24933	5.1
687.29956	1.9
701.25928	12.9
719.27032	36.9
720.27252	7.2
779.27637	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	779.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	13.4
57.76965	1.4
59.01380	56.2
60.99305	4.0
61.28636	1.6
61.98832	100.0
69.03431	2.5
71.01383	12.0
72.99312	10.2
73.02953	2.6
73.36169	1.4
74.97257	1.5
74.98131	1.5
75.00871	55.4
76.20152	1.7
77.74062	1.8
80.91694	2.1
81.03463	1.9
85.02955	12.0
87.00874	4.7
88.98798	23.7
89.02440	4.7
93.03452	7.3
95.05051	4.5
97.02937	6.3
99.00873	26.4
99.04526	7.2
101.02447	70.6
102.02776	1.8
103.45492	2.2
107.05029	4.0
109.02941	4.8
109.06596	2.7
111.04513	6.6
113.02454	2.2
116.92852	1.9
119.05003	4.6
121.02957	21.9
121.06571	3.7
123.04514	9.2
125.02445	1.7
125.06177	2.2
127.03987	4.4
135.04553	3.9
137.06100	9.0
139.04030	3.1
147.04523	75.4
148.04922	2.5
149.02388	1.8
149.06088	7.6
150.03319	2.5
151.03976	5.4
160.01651	3.8
161.06023	2.5
165.05580	8.5
171.04530	2.1
175.04007	4.6
176.04793	3.2
177.05504	4.6
177.09174	2.0
179.07106	2.7
187.07544	2.4
193.05109	10.7
194.05858	21.8
203.07198	2.3
205.08733	8.2
209.11887	2.2
211.06023	4.5
211.07828	2.2
216.07733	1.9
223.09741	11.7
229.22261	2.2
230.08122	1.9
235.07643	3.2
432.55804	1.6
507.20203	2.4
627.27142	2.2
657.23334	3.4
675.23572	2.2
683.24402	2.5
687.28827	3.6
691.27319	2.8
701.26190	14.8
719.27094	38.2
720.27063	7.2
779.31598	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	779.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
59.01379	10.9
59.63318	0.5
61.98827	15.5
67.01879	1.1
68.99818	1.7
69.03455	8.0
69.16382	5.7
71.01379	23.8
71.05024	2.4
72.99307	6.0
73.02947	1.0
75.00867	4.2
75.66486	0.5
79.05522	1.7
80.94993	0.6
81.03456	2.2
82.33554	0.5
84.57045	0.5
85.02943	17.8
87.00879	4.0
88.98797	2.0
93.03451	5.8
95.01380	2.0
95.05026	6.1
97.02952	34.3
97.06579	1.5
98.20275	2.8
99.00878	80.6
99.04515	5.5
100.01204	1.5
101.02428	2.6
103.00353	3.0
103.05551	1.9
105.07107	0.9
106.04229	0.8
107.05007	3.8
108.02168	1.8
109.02950	5.2
109.06585	0.9
111.04519	11.0
113.02457	3.3
115.00349	0.8
115.04009	76.5
116.04324	1.7
116.92882	0.6
119.05029	3.7
121.02954	11.7
121.06591	5.1
122.03767	0.8
123.04527	7.2
123.08158	0.9
124.04873	0.6
125.02409	3.0
125.06059	0.9
127.04004	3.1
131.05051	1.5
131.08693	0.6
133.06561	1.8
134.03676	0.7
135.02986	0.6
135.04506	3.6
135.08159	0.7
137.02467	3.1
137.06097	3.0
139.04034	2.9
139.07666	0.7
143.08638	1.3
147.04517	100.0
148.04823	3.6
149.02422	1.0
149.06081	6.8
150.03212	1.7
151.04010	3.6
153.05482	0.6
155.08640	2.3
157.06598	0.8
158.03775	1.0
159.04463	1.2
159.08113	1.9
161.06107	3.1
163.07582	0.6
165.05577	4.9
166.54971	0.6
167.03484	1.8
167.07097	2.0
169.10172	1.0
171.08163	1.1
173.06033	1.0
175.04002	1.7
175.07568	0.8
176.04791	1.1
177.05611	2.8
179.07130	0.9
181.05096	0.7
183.08174	0.9
185.06052	1.0
185.09689	0.7
187.07704	1.0
187.11270	3.9
189.09167	0.9
193.05054	8.9
194.05899	2.8
195.06509	0.7
199.07600	2.4
201.09180	0.8
203.07120	2.9
205.08701	1.4
209.11798	0.6
211.06082	3.9
213.09068	1.1
214.06267	0.6
217.08670	0.9
225.05550	1.4
227.07123	2.3
229.08698	0.7
231.10222	1.9
279.12448	1.8
281.15604	0.5
337.14365	1.0
383.15027	0.5
404.68381	0.6
411.14194	0.8
429.15463	0.8
437.16165	0.7
447.16824	4.0
455.17181	1.8
473.11191	0.7
473.18005	15.8
474.18454	2.4
491.19226	35.9
492.19473	4.7
527.18909	1.1
535.19818	1.6
539.26636	1.1
553.20642	0.9
571.21741	0.9
589.22876	0.5
617.21698	1.2
627.28046	2.0
637.26489	0.7
669.28674	2.7
687.30414	2.5
701.25415	1.3
747.26569	46.8
748.26953	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	779.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
57.03446	1.9
58.00594	5.3
59.01376	8.1
60.01702	0.6
61.98832	9.6
68.99808	2.4
69.03458	3.5
71.01379	14.6
72.99309	15.3
73.02942	10.8
79.05538	1.7
81.03453	3.7
83.01405	0.9
83.05035	6.8
85.02950	18.1
86.00101	1.2
87.00877	5.4
89.02477	0.5
91.42516	0.5
93.03453	8.2
95.01395	2.2
95.05028	6.1
96.99321	1.1
97.02949	8.4
98.20137	3.3
99.00880	30.7
99.04524	13.8
101.02449	6.5
103.05553	1.7
105.03418	0.5
107.05033	3.6
108.02152	2.1
109.02956	4.8
109.06580	1.5
111.04517	18.9
112.04882	0.6
113.02460	6.4
113.99589	1.3
119.05024	3.7
121.02950	8.1
121.06590	5.3
122.03794	1.2
123.04527	7.9
125.02452	7.6
125.06094	0.5
127.04026	6.1
129.01944	8.1
131.05032	1.6
131.08694	0.8
133.02911	0.5
133.06592	0.5
134.03755	0.9
135.04498	1.0
137.02464	0.9
137.06084	6.9
139.04022	3.4
141.05545	0.8
141.22128	0.5
147.04517	93.7
148.04875	4.0
149.02440	2.4
149.06085	7.4
150.03194	1.9
150.21158	0.4
151.04004	3.7
155.08698	0.5
158.06960	0.5
159.08212	1.0
161.04556	5.2
161.06058	1.6
161.09618	0.5
164.04820	1.0
165.05562	8.1
167.03500	4.1
167.07187	0.9
170.97694	0.5
171.04552	1.0
173.06154	0.8
175.03996	1.8
177.05551	1.2
178.02721	0.6
183.06589	1.0
184.05284	0.5
193.05054	10.7
203.07106	0.8
211.05997	7.3
211.07666	1.2
229.20857	0.6
233.09708	0.8
241.08510	0.6
248.68040	0.5
350.99341	0.6
373.20120	2.2
419.15152	0.5
459.65213	0.5
474.16049	0.6
485.22607	0.6
535.25195	0.9
567.20013	6.8
568.20587	1.1
585.28644	8.9
586.28992	1.3
617.30640	2.3
747.33893	9.2
748.33850	2.1
779.27026	100.0
780.27344	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64542	0.1
59.01371	0.1
60.41132	0.1
61.98827	100.0
70.37312	0.2
70.37655	0.1
86.43752	0.1
96.96014	0.2
99.04533	0.1
99.85928	0.1
147.04591	0.2
179.08836	0.1
193.78061	0.1
356.09756	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	778.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
61.98829	100.0
85.02956	0.2
87.13630	0.1
99.04524	1.7
111.61852	0.1
115.05569	0.1
121.02966	0.2
141.07153	0.1
143.05052	0.1
147.04500	0.6
157.06609	0.1
184.05307	0.2
229.42287	0.1
328.94385	0.1
353.92572	0.1
471.56033	0.1
595.31384	0.2
639.30383	0.2
671.32745	0.1
715.31110	1.8
716.31537	0.5
804.42529	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	779.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90100	0.3
55.01874	0.6
57.03448	1.1
59.01377	4.1
61.98829	100.0
62.98540	0.7
65.03946	0.6
66.78404	0.3
67.01884	0.8
68.99816	1.4
69.03456	3.3
71.01380	13.8
71.05025	0.4
72.99306	10.8
73.02955	1.6
79.05534	0.6
81.03452	3.4
83.01382	0.8
83.05022	4.8
84.02166	0.4
85.02949	14.3
87.00880	4.5
93.03454	6.5
95.01368	1.9
95.05023	5.6
96.99306	0.6
97.02946	7.6
99.00878	24.9
99.04520	2.5
100.01232	0.4
101.02442	4.9
101.04034	0.4
103.05569	1.3
105.01935	0.4
105.03486	0.7
106.04237	0.6
106.45192	0.4
107.05021	4.0
108.02181	1.1
108.05340	0.4
109.02951	3.9
109.06580	0.9
111.03733	0.8
111.04519	16.7
112.04852	0.5
113.02450	4.4
115.00317	0.4
119.05027	3.6
121.02155	0.6
121.02962	8.0
121.06590	4.1
122.03706	0.9
123.04523	7.4
124.01563	0.4
125.02443	6.9
125.06123	0.5
127.04020	6.4
131.05026	1.2
133.06615	1.0
134.03761	0.6
135.04507	2.8
137.02417	0.6
137.06076	4.5
139.03999	2.7
142.99887	1.3
145.06599	0.8
146.03729	0.4
147.04518	88.7
148.04843	3.8
149.02461	1.8
149.06058	5.4
150.03229	1.0
150.06421	0.4
151.04024	4.8
157.06561	0.5
159.04439	0.7
161.06097	1.2
164.04785	0.7
165.05586	5.1
165.54324	0.3
167.03484	2.6
167.07117	0.5
173.06056	0.7
175.03976	2.0
177.05562	2.8
178.02724	0.4
181.05209	0.4
183.06668	0.5
185.06107	0.4
193.05063	8.8
194.05728	0.7
201.05569	0.5
203.07079	0.8
211.06102	6.7
217.05185	0.4
227.07063	0.5
229.03011	0.4
229.05113	0.7
233.09772	0.6
283.09888	0.4
325.12207	0.4
503.21387	0.4
567.20044	5.0
568.20728	0.7
701.24127	0.5
717.23431	0.8
735.24463	0.6
761.26050	1.2
779.27020	69.0
780.27319	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	778.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
60.01706	0.1
61.98830	100.0
62.98539	0.2
71.66751	0.1
83.97404	0.1
116.96512	0.1
189.01004	0.1
194.22386	0.1
198.49458	0.1
201.11342	0.2
209.11877	0.3
227.12982	0.1
229.45915	0.1
253.09294	0.1
266.61325	0.1
277.21750	0.4
278.22012	0.1
301.85736	0.1
337.99500	0.1
436.24298	0.1
511.97501	0.1
655.91541	0.1
777.45447	0.1
778.42383	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.1
60.01718	0.6
61.98831	100.0
71.01384	0.4
71.52426	0.3
78.95918	0.3
85.02969	0.7
88.98811	1.3
89.02457	0.3
96.96024	0.7
98.69115	0.2
99.00813	0.2
99.04520	2.5
99.04984	0.2
111.04505	0.2
116.92931	0.3
121.02976	1.1
121.23913	0.3
127.80860	0.2
131.05034	0.3
147.04524	7.4
148.04868	0.6
171.04517	0.3
171.08180	0.6
171.10361	0.3
185.09801	0.3
199.07695	0.3
199.11401	0.3
213.09126	0.3
230.09622	0.2
243.10335	0.9
245.11917	0.4
246.12215	0.3
274.12238	0.5
297.11685	0.3
307.34869	0.3
366.37415	0.3
419.18893	0.4
567.23737	0.4
601.24078	1.2
627.25928	2.6
633.27216	0.5
667.29144	0.4
668.28998	2.0
699.32928	0.8
700.32080	7.5
701.32837	1.1
710.49292	0.3
718.33649	0.3
737.34216	0.3
801.56091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75933	0.2
59.01378	3.3
60.99307	2.9
61.98829	100.0
62.98540	0.2
63.26064	0.1
68.99557	0.2
69.09361	0.2
71.01396	0.3
71.53903	0.3
71.66793	0.2
72.99327	0.2
75.00871	0.4
85.02946	0.3
87.00871	0.2
88.98804	16.5
89.99138	1.0
90.99265	0.2
94.06632	0.1
96.96024	0.6
98.02492	0.3
99.00840	0.2
99.04505	1.3
99.92602	0.2
101.02444	0.2
112.98615	0.2
116.92871	0.6
121.02962	0.4
147.04524	0.4
149.02594	0.2
153.32101	0.2
171.10237	0.3
595.26495	0.2
612.78131	0.2
668.31305	0.3
687.30109	0.3
688.30731	0.4
747.26556	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20094	0.2
59.01375	0.9
61.98829	100.0
69.03449	0.3
70.89594	0.5
70.89950	0.3
71.01391	0.7
72.99326	0.4
75.00871	1.5
83.01372	0.3
83.05022	0.3
85.02956	0.7
88.98806	0.4
93.03468	0.3
97.02957	0.5
99.00904	0.9
99.04516	14.9
100.04875	0.3
100.94686	0.2
101.02443	1.2
103.00368	1.5
103.04046	0.4
103.05553	0.3
107.05055	0.6
111.04540	0.6
113.02532	0.3
115.05560	0.3
117.07146	0.3
119.05008	0.7
121.02996	0.4
121.06594	0.3
122.03786	0.2
123.04551	0.3
125.06123	0.2
127.04086	0.2
131.05038	1.5
133.06595	2.4
134.06950	0.4
137.06139	0.2
141.07080	0.4
145.06628	0.4
146.11021	0.3
147.04520	12.6
148.04861	0.3
149.06180	0.3
155.04984	0.2
157.06712	0.3
159.08070	0.4
161.06068	2.8
165.05606	0.3
171.04515	1.6
171.08066	0.3
173.06262	0.3
173.09743	0.5
183.08194	0.7
184.05267	0.3
185.06094	0.3
185.09724	0.8
187.11356	0.7
193.05148	0.3
211.07658	2.1
213.09186	0.6
225.09253	0.4
230.36008	0.3
289.50488	0.2
323.16611	0.3
359.00586	0.2
371.18579	0.5
402.91650	0.2
409.20361	0.3
421.98431	0.2
424.26587	0.2
427.21497	1.2
445.22302	1.9
462.11911	0.2
491.23843	0.2
509.25717	0.3
527.26508	0.3
529.07373	0.3
539.24878	0.4
639.29736	3.0
640.30109	0.7
671.32336	2.6
672.33069	0.6
687.34155	0.6
709.93152	0.3
715.31226	30.0
716.31592	7.5
779.27264	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	777.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40895	4.6
61.98816	13.2
66.91560	3.6
70.79188	3.8
102.82495	3.4
108.84689	4.5
115.86748	4.2
120.07540	3.8
122.20589	4.2
156.84673	4.1
179.42821	3.9
201.11333	30.1
209.11832	68.4
210.12187	4.9
225.11365	5.0
227.12924	18.5
235.08386	9.2
241.90771	4.4
253.09329	11.1
277.21707	100.0
278.21887	8.8
437.20401	7.7
445.21240	5.1
489.08704	4.2
501.82117	4.3
513.30719	11.9
697.41418	4.8
723.43311	6.1
777.41150	30.2
778.41876	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	778.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
61.98830	100.0
62.98518	0.2
62.99257	0.1
85.02974	0.2
87.00881	0.1
88.98806	0.2
96.96009	0.2
99.04496	0.2
121.02908	0.1
126.13993	0.1
147.04570	0.2
313.26700	0.1
623.25110	0.3
624.25635	0.1
729.35565	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01709	1.1
61.98827	2.4
78.95927	0.5
80.91684	0.5
85.59106	0.3
98.19865	0.6
99.04513	0.4
105.80796	0.3
116.92863	0.3
121.02962	1.0
128.50781	0.3
132.02174	0.5
134.03763	0.4
147.04593	0.3
154.58487	0.3
160.01671	2.1
175.03946	1.6
366.19601	0.3
466.77869	0.2
575.26898	0.5
579.32843	0.3
603.26416	0.5
621.26971	0.3
635.28607	1.5
636.29401	0.3
689.26184	0.5
695.59338	0.3
777.31445	0.7
777.44940	0.6
778.32019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85234	0.8
59.01379	92.4
61.81131	0.8
61.98830	17.9
68.99786	1.0
69.24402	3.1
69.24831	5.4
71.01386	0.9
73.02941	1.9
80.67473	1.0
81.03537	0.8
83.01385	1.8
88.98774	2.0
96.96005	7.1
99.04517	36.7
101.16647	1.1
105.97739	1.0
107.05008	0.9
115.12309	0.8
119.05041	1.5
121.02910	2.2
131.05096	1.0
133.06587	1.1
145.06458	1.0
146.86232	0.9
147.04523	42.9
148.04820	1.6
157.06519	1.6
160.05377	1.4
161.06041	2.5
170.07333	1.1
171.04489	3.4
184.05241	1.2
185.09735	3.2
187.07568	1.2
189.09181	2.7
198.06784	1.9
199.07619	1.3
201.09219	1.5
211.07568	2.6
213.09180	3.0
218.09451	2.1
229.08583	1.6
230.09502	1.8
231.10004	1.3
241.08704	2.5
245.11848	6.9
259.09808	1.4
273.11191	2.7
274.12006	5.6
290.56720	1.0
437.19727	1.7
455.20633	3.1
537.25043	2.5
615.29633	2.2
639.29871	1.3
641.26862	1.2
667.29089	23.7
668.29236	4.3
671.32190	1.5
699.31714	100.0
700.31982	23.7
717.32751	2.6
747.95392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66977	0.6
59.01379	100.0
61.98830	48.2
63.36269	0.6
68.99561	0.7
69.16069	6.0
70.99617	0.7
71.01394	1.8
83.01398	0.6
83.51408	0.5
84.65091	0.6
85.02952	31.3
86.03327	0.5
87.00885	1.0
88.98807	0.8
89.00685	2.3
96.96036	2.6
98.19914	1.0
99.00889	1.3
99.04542	2.5
115.00355	0.9
119.03551	0.8
121.02962	1.6
133.01418	1.8
144.30986	0.7
147.04544	1.7
171.10306	2.4
178.66441	0.6
182.95496	0.6
266.09253	0.7
267.10413	0.6
267.68958	0.6
275.06961	0.6
393.64410	0.7
405.84808	0.7
437.19562	0.7
495.23828	0.9
503.22830	1.0
519.24524	0.9
520.94257	0.7
523.23541	1.7
537.25867	0.7
547.23798	0.7
553.24866	2.3
554.24664	0.7
579.26044	3.7
607.25482	7.9
608.26257	1.7
611.28864	1.6
623.26990	0.8
639.28107	76.3
640.28436	16.3
642.30176	0.8
643.30713	2.7
653.30286	0.8
657.29022	1.5
699.22052	0.6
714.34589	0.7
777.31293	0.9
777.44061	1.1
778.31213	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	775.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82529	0.1
61.75510	0.1
61.98830	100.0
62.98506	0.1
63.77870	0.1
70.24120	0.1
70.24466	0.3
102.57484	0.1
115.96638	0.1
155.19456	0.1
195.56007	0.1
406.84576	0.1
439.51855	0.1
464.49289	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58393	0.4
59.01377	10.3
60.99307	18.7
61.74811	0.4
61.98829	28.5
64.60682	0.4
65.41393	0.3
68.71233	0.3
71.01374	0.9
71.53099	0.5
73.02936	0.6
74.99087	0.3
85.02966	1.4
87.00864	0.4
88.51950	0.3
88.98804	100.0
89.02472	0.6
89.99136	0.7
96.96017	2.9
99.04519	2.5
101.02444	0.5
113.25185	0.4
121.02946	2.3
147.04575	0.7
171.10284	0.5
209.11816	0.4
211.13332	0.5
223.46436	0.4
225.11409	0.5
336.07065	0.7
427.84586	0.4
629.25812	0.6
639.28339	0.5
687.29407	0.4
742.36316	0.4
777.33221	0.7
778.40326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01720	0.7
61.47558	0.5
61.98831	43.3
65.03744	0.5
69.19008	4.1
71.01383	1.8
72.99310	0.5
73.02938	0.7
79.63789	0.4
85.02950	33.4
86.03316	0.7
88.98804	0.9
96.96002	1.2
98.19839	1.0
99.00884	1.5
99.04542	1.9
101.02464	0.6
113.02407	0.4
115.00404	1.5
118.98105	0.9
119.03511	1.2
120.99654	1.4
121.02969	2.4
123.04496	0.5
133.01445	1.5
137.06091	0.6
160.05283	1.1
169.12410	0.5
171.10248	2.3
175.02496	0.5
187.67175	0.4
197.05771	0.4
207.10342	0.6
209.11809	0.9
211.13434	0.5
220.20024	0.5
225.11302	0.7
240.07870	0.6
244.84322	0.5
266.09442	0.5
495.23895	0.9
503.22879	1.3
519.24207	1.1
523.23309	2.1
553.24292	2.5
555.25195	0.6
579.26019	3.3
580.26538	0.7
607.25580	8.9
608.26294	1.6
639.28076	74.9
640.28467	14.5
653.29297	0.9
657.29712	0.6
777.29468	1.0
777.42267	1.7
778.30762	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77590	12.4
58.54485	11.3
61.98827	100.0
62.76424	15.2
68.99569	53.8
71.44163	21.1
78.95882	12.4
90.23111	11.7
112.98580	61.4
116.92843	27.8
159.49219	13.4
200.73570	11.5
277.22012	16.7
319.25259	12.7
544.70624	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	775.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.2
59.01370	0.7
61.98829	3.9
71.01387	0.4
71.52384	0.3
78.95901	0.2
95.05002	0.2
96.96008	0.3
106.72100	0.2
111.08199	0.4
121.02956	0.4
126.90470	0.9
128.03542	0.5
128.07155	0.3
138.16563	0.2
147.04498	0.2
167.10748	0.4
169.12338	0.3
179.14452	0.6
181.12280	0.2
195.13905	7.1
196.14555	0.7
205.12273	0.7
211.13379	0.6
223.13380	5.6
223.15585	0.2
224.13828	0.4
228.13687	0.5
231.21164	0.4
256.13190	1.4
265.21692	0.5
275.20151	3.6
276.20703	0.4
293.21216	100.0
294.21533	8.7
361.58084	0.2
384.44858	0.2
386.74509	0.2
391.19180	0.2
423.55814	0.2
487.84573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.5
61.98836	34.6
65.82539	3.8
68.99587	29.1
69.19725	14.4
69.20149	20.3
71.01375	7.3
73.73541	3.4
81.69440	3.7
91.58971	3.6
101.02441	4.7
107.80724	3.2
109.06600	11.8
109.07384	3.5
112.98577	27.9
113.02463	5.5
117.03432	5.5
119.05057	8.3
144.59691	3.7
145.02927	24.2
161.04611	4.1
171.10266	20.4
181.08736	4.7
183.44002	4.4
199.09737	37.1
207.10254	52.6
225.11328	47.7
235.08281	4.7
253.09308	14.1
277.21719	100.0
278.22018	10.7
417.17380	4.7
435.18384	10.3
443.19128	12.6
461.20340	18.7
505.28256	5.0
513.29944	5.2
677.38123	5.9
683.45398	4.4
695.40045	85.5
696.40540	14.8
703.40082	5.2
721.41718	62.6
722.41901	11.1
745.09265	3.9
775.40186	17.3
775.50299	17.0
776.51172	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	775.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01717	1.0
60.72667	0.1
61.98834	0.6
70.45071	0.2
78.31146	0.1
78.95954	0.1
83.24763	0.1
100.53150	0.1
119.05081	0.2
145.02942	0.8
147.04524	3.0
147.05656	0.2
148.04932	0.2
211.02457	0.1
229.67990	0.1
277.21826	0.4
287.22382	0.3
394.35535	0.2
413.23340	0.2
775.50330	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33826	2.7
58.87557	2.5
59.01380	6.8
59.29157	2.5
60.29676	2.4
61.98825	29.0
70.26184	10.0
71.01406	3.4
73.38107	2.8
73.41891	2.3
101.02425	2.7
112.20267	3.0
117.03481	6.5
119.05020	9.7
123.84863	2.6
145.02948	24.3
163.03973	5.1
171.10255	72.2
173.07675	2.7
173.47920	2.9
207.10175	6.7
225.11313	44.1
235.08282	13.2
253.09277	11.3
271.62845	2.6
277.21704	100.0
278.22061	6.8
407.19150	7.3
443.19171	10.9
461.20410	6.4
513.30518	3.4
569.19049	3.0
667.40948	3.0
721.41785	32.9
722.42065	8.7
775.50055	13.8
776.50763	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.3
61.79502	2.1
61.98833	37.0
66.18221	1.7
71.01363	3.3
87.90263	1.9
96.95972	1.8
97.02931	2.4
98.20283	13.1
101.02417	3.1
109.06593	6.1
119.75053	1.8
136.11301	2.3
163.11221	4.1
171.10262	23.1
179.05655	2.1
189.09253	3.0
199.09729	11.6
207.10292	25.3
208.10594	2.4
225.11322	38.7
229.16200	1.9
235.08250	10.4
253.09271	10.0
256.32895	2.3
277.21725	100.0
278.22043	6.9
309.17435	3.5
316.70987	1.9
407.19305	2.4
417.17581	5.9
443.19202	8.4
461.20358	15.6
513.30438	6.9
695.40002	42.1
696.40637	9.4
721.41595	42.3
722.41864	8.5
775.39722	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48940	0.1
59.01377	0.7
59.92331	0.1
61.98828	100.0
62.98529	0.3
69.71930	0.4
71.01367	0.2
72.99355	0.1
85.02945	0.1
88.98798	0.2
96.96023	0.8
98.20159	0.3
99.04533	0.5
99.92541	0.1
115.00414	0.1
115.54243	0.1
116.92889	0.2
121.02921	0.2
125.00310	0.1
165.83774	0.1
171.10391	0.2
209.11900	0.1
237.87883	0.1
454.33408	0.1
625.62567	0.1
710.50781	0.1
775.31354	0.1
795.29004	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.1
61.98830	100.0
69.38233	0.9
71.01384	1.2
71.53152	1.2
83.05016	1.1
83.54882	0.8
85.02950	45.8
89.91427	0.9
99.04521	4.7
101.02445	1.1
116.92857	1.9
121.02967	1.3
123.08167	12.6
135.04462	1.3
147.04501	4.0
171.10185	1.7
172.10609	0.9
186.18663	0.9
196.69221	0.9
209.11818	2.6
323.42975	0.9
356.38440	0.9
379.18649	1.1
439.21005	2.0
467.21210	0.9
502.65344	1.1
505.44781	1.0
510.17627	1.0
559.13208	1.1
623.56354	1.0
635.28619	1.5
636.28583	1.3
691.72223	1.1
696.32178	1.3
711.30182	26.0
712.30603	5.9
714.32770	3.2
732.33563	1.7
774.35229	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.0
61.98831	100.0
69.00338	0.2
70.83587	0.5
70.83907	0.3
71.01391	0.3
78.04077	0.2
78.95927	0.3
85.02953	6.1
96.69955	0.3
96.96022	0.6
99.04533	0.9
116.92883	0.4
121.02965	0.4
121.06606	0.3
123.08157	1.6
125.87316	0.7
126.88129	0.3
147.04533	0.8
152.15204	0.3
157.86346	0.5
171.10297	0.4
173.40100	0.3
184.88762	0.4
192.52766	0.3
209.11913	0.7
240.83635	0.3
256.97794	0.2
603.70953	0.3
679.27197	0.4
682.29688	0.7
711.30328	3.2
712.31500	0.7
738.16687	1.5
739.17255	0.3
774.46667	0.3
779.09943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03464	0.6
58.00587	0.6
58.33931	0.5
59.01378	100.0
60.01724	1.2
61.98828	10.0
69.03478	1.5
69.23581	5.4
71.01379	42.7
72.01715	1.3
72.99311	2.2
73.02945	46.9
75.00866	1.3
80.96500	0.6
81.03487	0.7
83.01390	14.0
83.21739	0.5
85.02949	8.1
87.00890	1.9
89.02441	15.0
95.01402	2.2
96.96024	1.6
97.02998	1.1
98.19936	1.1
98.20596	1.3
99.00895	0.9
99.04536	2.3
101.02443	47.7
103.04063	0.6
113.02446	28.6
114.02781	0.8
119.03494	9.4
123.44985	0.5
125.02396	2.9
131.03481	5.4
143.03487	8.9
144.03996	0.6
149.04565	6.8
155.03525	2.4
161.04552	14.8
179.05630	5.1
184.49921	0.6
203.05594	3.3
221.06714	4.5
367.42273	0.6
583.31366	1.1
601.32593	1.0
625.33160	1.1
643.33038	2.8
644.33545	0.8
729.40271	1.4
773.31989	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70647	0.4
59.01382	8.5
61.98830	9.6
70.63194	1.2
71.01383	2.2
72.99321	0.6
78.95911	2.5
85.02946	0.5
88.98789	0.4
93.03458	0.4
96.95993	0.8
96.96964	0.5
97.02987	0.5
99.00880	0.9
103.05528	0.9
110.45942	0.5
116.92869	0.9
119.05043	1.2
121.02962	5.8
123.04505	0.4
134.87973	0.4
139.04002	0.4
147.04518	100.0
148.04836	3.7
149.06030	0.5
152.99593	1.0
169.12367	0.8
171.10236	1.3
179.18401	0.4
184.41286	0.4
185.11852	1.0
193.05034	0.8
196.96489	0.5
197.11771	0.6
201.11281	0.8
207.10361	0.5
209.11823	1.7
210.12099	0.5
211.06084	0.5
211.13426	1.4
225.11160	0.4
227.12895	0.9
229.14264	0.4
253.09323	1.0
291.19669	1.2
293.21072	0.6
309.20651	0.7
445.20419	0.5
463.21027	0.7
621.25708	0.6
773.42621	1.8
774.42639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30688	0.4
61.98829	100.0
69.92234	0.3
70.79699	0.8
80.96520	0.4
141.69183	0.3
167.58142	0.3
170.40588	0.3
221.76337	0.3
257.08282	0.3
262.18701	0.4
309.30466	0.3
649.38843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.01292	0.1
75.96762	0.2
80.96545	0.3
86.35789	0.1
101.09656	0.1
124.14806	0.2
144.65848	0.1
145.38164	0.2
147.65886	0.1
174.11142	0.1
202.25746	0.1
207.23529	0.1
277.21780	0.1
506.31024	0.2
772.41278	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53888	1.2
59.01080	1.3
59.01378	30.2
61.98830	100.0
71.01377	2.7
75.00898	1.5
78.95907	2.8
85.02957	2.2
96.96020	10.1
98.20767	2.5
99.04523	24.9
114.13820	1.2
121.02972	14.1
131.05025	2.4
133.06578	1.8
141.01671	3.8
147.04507	28.2
152.85555	1.5
161.06062	3.5
167.82448	1.4
169.12352	3.4
185.09686	3.2
192.66197	1.4
209.11781	5.2
210.12276	1.5
253.09293	1.6
291.19772	2.1
293.21085	2.1
390.61981	1.3
509.76129	1.4
563.79468	1.5
657.32245	2.2
697.30359	1.7
713.29749	3.1
729.32697	2.3
773.31207	8.4
773.43610	2.2
774.31097	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85603	0.1
55.93026	0.1
57.03448	0.5
57.16970	0.1
59.01374	1.4
62.52203	0.1
67.01888	0.2
69.03455	0.1
71.01371	1.1
71.53765	0.1
71.54153	0.2
72.99279	0.1
73.02943	0.4
81.03463	0.1
83.01417	0.1
83.05021	0.2
85.02946	6.7
86.03267	0.2
87.00867	1.2
89.02444	0.2
93.03453	2.1
95.12679	0.1
96.95975	0.1
99.04558	0.5
101.02448	0.4
103.04010	0.5
108.02175	0.1
109.02966	0.5
111.00859	0.4
111.04525	0.8
113.02422	0.3
119.04987	0.2
121.02966	0.1
122.03756	0.4
123.04520	1.7
125.02435	0.3
127.04013	1.6
129.01949	0.5
133.02951	0.4
134.03694	0.3
135.04527	1.4
137.02457	0.3
137.17403	0.1
146.04564	0.2
147.02985	0.2
153.09233	0.1
155.03491	0.2
161.02435	1.9
161.04530	0.2
163.04031	0.2
164.08424	0.1
165.05606	0.2
165.57724	0.1
171.02992	0.4
173.04526	1.5
174.04922	0.1
177.02019	0.1
179.03461	1.1
191.05597	100.0
192.02304	0.1
192.05936	3.5
193.05061	0.1
205.03572	0.1
209.03024	0.5
223.04475	0.3
224.04858	0.2
265.09308	0.2
322.28778	0.1
327.10892	0.3
351.12970	0.6
352.13315	0.2
353.08740	22.0
354.09018	1.9
354.13202	0.1
371.09677	0.3
371.13705	0.2
665.92157	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	772.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34745	0.1
59.01372	1.1
61.98829	100.0
62.98538	0.3
63.99240	0.2
70.53579	0.5
71.01377	0.2
72.17198	0.1
78.95876	0.2
85.02971	0.4
88.98804	0.3
96.96011	1.6
97.06627	0.2
99.00920	0.2
99.04570	0.1
101.02487	0.4
113.02425	0.2
116.92854	0.3
121.02953	5.1
122.03326	0.3
130.98804	0.1
135.08205	0.2
147.04488	0.2
171.10347	0.3
201.11374	0.2
209.11836	1.6
210.12225	0.2
211.13396	0.2
227.12959	0.2
253.09219	0.3
309.20746	0.2
327.21878	0.4
518.98004	0.2
531.23529	0.4
549.25073	1.0
591.26147	0.4
633.27191	0.4
677.26624	0.5
678.26630	0.2
709.28705	2.1
710.29150	0.5
741.32782	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.9
60.01717	0.4
61.01798	0.1
61.98829	100.0
70.26402	0.2
70.26778	0.3
70.73998	0.2
71.01391	0.3
78.95915	0.2
96.06885	0.1
96.96013	1.0
98.10363	0.1
99.00871	0.3
99.04533	0.1
101.02442	0.1
121.02980	0.9
122.03291	0.3
122.97648	0.1
147.04555	0.4
171.10262	0.3
176.80597	0.1
197.70459	0.1
201.39789	0.1
209.11835	0.7
210.12311	0.2
225.11360	0.2
227.13022	0.1
246.91846	0.2
253.09203	0.2
293.21259	0.4
294.21591	0.2
299.95950	0.1
310.21143	0.2
333.59906	0.1
421.93933	0.2
673.17810	0.2
712.30426	0.3
737.30084	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.9
57.03445	7.1
58.00599	2.5
59.01380	95.5
59.75872	1.4
61.98830	80.7
69.22890	4.3
69.23319	6.4
71.01385	66.6
71.90488	1.1
72.99307	5.3
73.02951	24.4
75.00887	2.4
80.48203	1.1
83.01395	10.9
85.02954	28.6
87.00886	6.4
89.02447	32.4
90.02810	1.0
95.01417	6.7
95.79082	1.2
96.95978	1.7
97.02978	2.2
99.00890	4.4
101.02443	36.5
101.03107	1.8
111.00864	1.8
113.02449	35.5
119.03487	12.5
125.02419	4.3
131.03502	1.5
143.03502	3.1
148.86609	1.1
149.04532	1.7
159.02982	1.7
161.04533	4.9
179.05580	2.3
197.15465	3.0
216.53627	1.4
219.10651	1.3
243.19598	4.3
244.19948	1.4
271.53494	1.3
343.28680	1.4
361.29626	10.7
362.29553	1.3
416.72345	1.3
447.31506	1.4
505.33911	12.9
506.33911	1.7
523.34869	14.0
565.35101	1.8
631.36664	1.5
667.39063	100.0
668.39307	17.6
685.40161	64.0
685.49994	0.8
686.40588	11.1
727.41193	66.8
728.41559	14.7
771.30884	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.6
57.03431	3.7
58.00579	2.0
59.01381	58.7
60.01704	0.9
61.98825	1.8
69.03449	1.6
71.01382	43.7
72.01716	0.8
72.99303	2.9
73.02943	9.5
75.09521	0.8
79.95752	3.9
83.01395	4.4
85.02954	20.7
86.00097	1.2
87.00888	4.3
89.02447	21.8
95.01393	5.5
96.96013	67.3
97.02953	2.4
98.95585	11.1
98.96421	2.2
99.00880	2.3
101.02443	28.0
111.00855	1.9
113.01723	1.5
113.02457	20.8
119.03488	6.5
125.02458	5.3
129.01932	1.4
130.94205	0.9
135.04535	2.0
143.03484	3.5
151.04066	0.9
159.02959	1.1
161.04547	2.1
168.84935	1.0
176.73766	0.8
179.05606	1.4
197.04587	1.7
197.15497	1.4
243.19691	1.1
289.11142	82.8
290.11481	16.9
291.10852	15.1
292.11063	1.5
293.24448	0.9
314.28137	0.8
361.29562	12.8
389.11014	1.0
402.03549	1.7
415.04819	0.9
472.40649	0.8
505.33945	6.5
523.34717	7.9
631.36383	1.2
667.39050	100.0
668.39386	19.4
678.42859	0.9
685.40118	39.6
686.40527	7.1
727.41144	41.5
728.41461	10.2
771.29932	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
57.92576	0.3
59.01382	2.4
61.98825	5.3
71.01369	0.6
72.99281	0.3
73.02936	0.6
78.22598	0.2
81.81158	0.3
85.02926	0.9
87.00870	1.1
89.02458	0.3
97.06557	0.4
98.20063	1.3
99.04518	0.6
108.41615	0.3
111.04544	0.5
111.08138	1.0
120.57541	0.3
123.08134	0.5
127.11246	0.8
133.02902	0.3
135.08121	0.8
136.05286	0.4
137.06055	0.4
137.09663	0.7
149.06064	1.9
150.06859	32.3
151.07332	0.9
155.10745	0.6
161.09680	0.7
162.06863	0.8
163.07631	5.7
164.08417	6.7
165.08890	0.6
171.10275	0.7
176.08377	0.5
177.09073	0.5
178.09976	2.4
179.10768	17.9
180.11102	0.9
184.10951	0.4
189.08833	0.3
201.11322	0.5
208.00203	0.3
257.13919	0.7
266.34488	0.3
278.18835	0.5
288.17255	0.3
306.18372	1.2
321.20618	1.0
341.23279	0.9
343.21176	4.8
344.21432	0.6
350.20862	0.6
459.31158	0.4
462.29819	1.9
463.29932	0.3
476.31482	0.7
477.32187	6.3
478.32693	0.8
504.30957	1.2
505.31714	1.8
506.32010	0.4
522.31976	2.4
523.32727	19.0
524.33154	2.4
685.38379	1.7
686.37231	0.4
727.39056	100.0
728.39429	19.4
771.31219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.03442	4.8
57.19931	0.3
58.00588	0.4
59.01377	23.4
60.01681	0.4
61.25017	0.3
69.03458	0.7
71.01381	7.8
71.01875	0.5
72.99295	0.4
73.02943	11.9
79.15604	0.3
83.01381	4.8
85.02944	13.3
86.03310	0.4
87.00879	0.6
87.04505	0.9
89.02421	2.2
96.95998	0.4
97.02950	0.4
99.04521	3.1
101.02438	10.8
103.04008	21.6
104.04333	0.4
113.01723	0.5
113.02441	4.5
115.04005	0.3
117.05576	20.0
118.05898	0.6
119.03513	1.1
125.02434	1.4
128.03513	0.3
129.01920	0.8
131.03476	0.9
134.03712	0.9
135.04486	0.4
143.03502	0.9
145.05057	1.1
147.02994	0.7
149.06128	0.5
157.04973	0.3
159.06630	2.2
161.04552	1.1
167.07306	0.4
170.79929	0.3
182.02661	0.3
182.04588	0.3
185.09735	0.4
189.07657	0.6
191.01910	0.3
191.05643	0.4
193.05034	2.3
212.05923	0.4
221.10207	1.5
223.04594	0.7
227.08279	1.0
228.09039	1.2
229.09782	0.5
229.58658	0.3
247.08127	3.0
263.11456	0.5
265.09265	10.7
266.09576	0.8
271.10895	2.4
272.11160	0.4
289.11899	4.7
307.10367	9.7
308.10748	0.6
319.14063	0.4
321.11920	0.6
321.15536	1.0
361.14975	1.4
365.14487	100.0
366.14828	8.8
366.19336	0.5
367.14877	0.6
377.43915	0.3
405.13947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80738	0.4
57.03445	1.0
59.01375	5.5
60.92186	0.4
61.98830	24.8
69.24545	2.2
69.24963	1.6
71.01382	2.7
72.99300	0.5
73.02941	1.2
79.95700	0.4
80.96521	0.8
85.02931	2.7
87.00890	2.0
88.98819	0.5
89.02412	1.0
96.96004	1.6
97.06519	0.6
98.20284	2.0
99.04504	0.8
101.02434	1.6
111.08142	0.8
112.98601	0.5
113.02441	1.0
119.05029	0.5
123.08141	0.5
125.02456	0.5
127.11238	0.6
135.04503	0.4
135.08092	0.8
136.05324	0.6
137.06076	0.5
137.09724	0.7
149.06059	1.1
150.06857	27.7
151.07283	1.0
155.10791	0.6
161.04449	0.5
161.09619	0.5
162.06824	1.4
163.07619	8.5
164.08403	5.9
171.10222	1.3
173.08131	0.8
176.08371	0.7
177.09186	1.0
178.09953	1.2
179.10768	15.2
180.11104	0.6
193.05124	0.5
193.08621	0.4
201.11252	0.7
218.03691	0.4
239.45535	0.4
243.92274	0.4
257.13959	0.6
283.10730	0.4
299.18781	0.7
306.18359	0.9
313.20264	0.9
320.19980	0.8
321.20572	0.9
341.23215	2.1
343.21124	3.1
364.22522	0.5
461.33295	0.5
462.29846	1.6
476.31287	2.2
477.32077	4.8
493.31345	0.9
504.30862	1.9
505.31699	2.5
522.31891	4.8
523.32733	16.5
524.33038	2.2
609.19928	0.7
667.37897	1.3
685.38745	2.8
696.24860	0.5
709.38403	0.5
727.39056	100.0
728.39404	19.8
759.98822	0.4
771.32874	1.8
772.32208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	43.1
61.98833	100.0
71.01380	21.1
71.52142	12.1
75.00854	42.9
78.74569	6.5
78.95918	19.5
80.34174	7.2
91.06403	7.5
91.55155	7.1
93.96140	7.3
98.20106	8.9
99.19260	7.3
101.02441	8.9
121.02963	10.5
163.11296	10.6
171.10252	25.3
173.42853	7.5
197.11757	9.3
207.10284	23.4
209.11806	44.2
210.12224	13.8
211.13399	41.9
225.11325	16.3
253.09248	22.7
291.19626	32.6
292.19922	19.0
309.20685	15.3
336.32526	8.1
373.38507	7.7
477.50507	9.4
753.39612	8.2
771.41699	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	771.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83314	0.6
57.03444	0.9
59.01377	8.0
61.98820	1.0
63.02398	1.3
65.00316	3.5
67.08871	0.7
69.72456	2.0
69.72842	1.0
71.01382	2.8
73.02938	1.2
73.16107	0.6
74.29996	0.6
82.12369	0.6
83.01395	3.2
84.70876	0.6
85.02946	3.7
89.02459	1.2
91.01895	0.6
93.03485	0.7
96.96021	1.7
101.02438	1.8
107.01401	6.9
108.02185	1.9
109.02956	3.9
111.00904	1.2
113.02406	1.3
119.05022	2.7
121.02950	4.4
125.02457	1.4
129.01961	1.4
135.00899	1.3
135.04507	1.2
137.02380	0.7
140.83632	0.7
143.03468	1.3
146.78716	0.6
148.01671	1.6
149.02379	1.0
151.00363	27.2
151.03966	0.8
152.00746	0.8
161.04546	0.7
163.00333	4.7
163.04010	5.6
164.01169	1.2
165.05568	0.9
169.01408	1.0
178.99846	12.2
187.03923	1.0
190.99881	1.1
191.01874	1.8
199.03932	0.8
211.03986	1.0
215.03505	1.5
216.04253	1.7
226.02710	1.9
227.03532	3.4
227.05440	0.7
229.05020	1.6
243.02971	10.9
244.03325	1.8
245.04497	2.6
254.02141	2.0
255.02959	27.8
256.03317	2.5
271.02448	59.8
272.02951	6.6
273.03992	2.2
279.14621	0.7
283.02444	2.3
299.01929	2.7
300.02725	93.5
301.03467	71.6
302.04001	4.4
321.11942	1.5
321.15323	1.6
405.13779	1.0
523.21472	0.8
609.12439	1.8
771.19781	100.0
772.20020	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
57.03449	11.7
59.01371	4.4
63.24295	0.6
63.72825	0.6
68.99824	1.1
71.01379	6.5
71.53649	0.9
72.99306	1.8
73.02944	1.8
75.00867	1.8
80.08628	0.6
83.01386	6.5
84.02166	1.5
85.02954	61.0
86.03283	1.7
87.00871	4.0
99.00901	0.8
99.04524	0.7
101.02443	5.4
103.04017	1.2
108.05166	0.6
111.00886	24.8
113.02448	0.8
115.00397	3.5
115.01039	0.6
118.97308	0.6
119.05003	4.5
123.20211	0.6
129.01947	26.1
130.02312	0.7
134.03726	1.1
145.02849	0.8
146.04553	0.7
147.02997	3.2
151.71526	0.7
161.04604	2.8
163.03990	3.6
173.01062	0.7
175.02461	7.2
179.32892	0.8
187.02431	2.1
191.01926	4.3
205.03531	35.7
206.03934	1.0
209.02939	2.0
223.04584	100.0
224.04950	4.5
257.89444	0.7
271.11884	0.7
336.41483	0.6
369.08212	27.1
370.08548	2.8
383.53201	0.7
385.07797	1.0
492.34097	0.6
506.10385	0.6
739.26337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.1
59.01380	1.0
61.98832	100.0
63.13529	0.1
71.01395	0.2
73.03682	0.1
74.10895	0.1
78.95930	0.1
88.98802	0.7
96.96037	0.3
97.02954	0.1
99.04550	0.2
101.02468	0.2
113.02461	0.1
121.02951	0.9
142.80203	0.1
147.04565	0.3
163.11259	0.1
171.10315	0.6
181.12408	0.1
197.11871	0.3
197.84653	0.1
207.10298	0.2
209.11948	0.4
225.11357	0.6
227.12848	0.1
253.09239	0.1
291.19980	0.1
309.20673	0.2
595.26923	0.1
695.29553	0.1
770.40588	0.3
771.42194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
61.98830	100.0
62.98562	0.2
63.99253	0.4
71.01376	0.4
72.99312	0.1
75.00869	0.2
79.95738	0.1
83.05000	0.1
85.02980	0.1
88.98824	0.4
89.32520	0.1
96.95998	0.5
97.02989	0.2
99.00916	0.2
99.04504	0.6
101.02457	0.5
101.06071	0.1
101.37522	0.1
114.05642	0.1
121.02950	0.6
125.09774	0.1
147.04524	0.9
171.10266	1.1
197.11891	0.3
207.10329	0.2
209.11865	0.4
211.13406	0.2
225.11354	0.5
235.08180	0.1
253.09427	0.2
253.58150	0.1
291.19818	0.2
305.47781	0.1
309.20755	0.5
325.20395	0.2
431.59525	0.1
478.03415	0.1
595.27020	0.1
596.26843	0.1
669.33789	0.1
678.30737	0.2
738.35492	0.1
770.38422	0.3
771.42389	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42125	0.3
61.98829	100.0
62.98520	0.2
68.99574	0.5
69.99016	1.0
78.95892	0.5
142.78104	0.2
211.13374	0.3
277.21774	0.4
293.21701	0.2
316.26028	0.3
387.13422	0.2
770.42474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
60.01712	0.1
61.98831	100.0
62.98533	0.2
63.73928	0.1
63.99251	0.2
64.27371	0.1
71.01395	0.2
87.65731	0.1
88.98823	0.4
98.20647	0.3
99.00890	0.2
99.04523	1.1
100.72597	0.1
121.02958	0.9
147.04559	0.2
169.12354	0.1
171.10338	0.4
197.11894	0.3
209.11940	0.3
225.11307	0.2
291.19965	0.1
307.19339	0.1
310.81824	0.1
534.26544	0.1
547.21289	0.2
548.20758	0.2
633.31134	0.2
634.31250	0.2
677.30725	0.3
678.29913	0.9
706.43970	0.1
707.27863	0.4
710.33295	0.2
769.40308	0.2
770.40283	0.3
771.42438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	26.4
59.10016	0.5
61.98835	3.8
69.20921	4.8
71.01382	1.3
73.02954	2.2
78.95919	0.9
83.59663	0.5
85.46940	0.5
85.75183	0.5
98.79546	0.5
101.98973	0.5
109.84673	0.6
112.84942	0.6
121.02959	100.0
122.03313	2.8
134.21249	0.6
145.01830	0.6
145.02965	2.4
184.51566	0.6
209.11789	1.3
246.60347	0.5
277.21860	0.6
533.29199	0.6
591.33545	1.3
609.34302	8.1
610.34985	1.9
633.34045	0.8
651.35388	43.4
652.35602	8.3
688.79761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01380	46.0
60.01725	0.3
61.98824	1.8
69.16900	1.8
71.01402	0.4
77.03960	0.2
93.03445	0.3
98.19939	0.5
101.06093	0.6
103.04015	4.3
115.00368	0.5
121.02956	100.0
122.03284	3.5
135.04520	1.0
158.75064	0.2
171.10219	0.3
185.11879	0.2
209.11853	0.7
277.21744	0.6
443.28305	0.3
473.29187	0.6
587.36047	0.6
722.98163	0.2
769.39771	0.4
775.09106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.8
61.98828	100.0
69.19991	0.2
70.58635	0.2
71.01387	0.7
73.12695	0.2
75.14641	0.2
77.68499	0.2
85.02946	0.4
88.00993	0.2
88.98801	0.2
89.02458	0.3
96.74858	0.2
96.96011	0.6
97.02966	0.3
97.06593	0.2
99.00890	0.3
99.04512	1.4
111.08118	0.3
113.02499	0.2
121.02957	3.4
122.03262	0.3
132.83963	0.2
144.06633	0.2
147.04535	1.7
148.04893	0.2
163.11264	0.2
171.10268	1.5
172.10759	0.2
181.12395	0.2
197.11801	1.3
199.13423	0.2
201.11411	0.2
207.10304	0.5
209.11853	1.0
210.12195	0.2
225.11267	1.1
226.11632	0.2
227.12973	0.3
243.12393	0.3
253.09372	0.2
289.18112	0.2
291.19687	0.4
307.19153	0.6
309.20703	0.4
331.85208	0.2
445.20947	0.2
457.63174	0.2
531.23639	0.3
532.24445	0.6
574.25446	0.4
621.27448	0.2
707.27545	0.8
708.27661	0.3
734.29584	0.5
769.40613	1.1
770.39417	2.1
771.38525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.48449	0.6
61.52888	0.6
61.98828	7.5
66.95419	0.6
69.03495	0.6
69.51012	0.6
71.01376	4.1
83.05025	0.9
83.56387	0.8
89.41578	0.7
95.05048	0.8
97.06593	0.9
98.19856	1.1
99.00914	1.3
99.04517	59.2
100.04864	1.5
101.02509	1.1
103.35075	0.8
109.06597	0.9
111.04492	0.9
121.02980	6.8
123.04540	1.4
125.09688	0.7
131.53079	0.8
133.06648	1.6
135.04491	0.7
142.68532	0.7
147.04500	3.4
150.97191	0.7
157.06528	0.7
159.08189	1.0
161.09767	2.0
163.11301	0.7
171.08238	1.2
171.10284	1.6
185.09766	1.0
198.06917	2.3
199.07651	4.7
207.10323	1.5
209.11829	3.8
212.08583	0.7
213.09187	6.4
214.09769	0.9
223.09813	1.0
239.10942	0.9
253.09241	1.0
273.12482	0.7
280.19623	0.7
285.14877	1.0
289.17917	0.8
295.13419	1.8
307.19281	1.2
309.20908	1.5
313.14679	0.8
335.16629	1.0
361.18478	1.0
370.26376	0.7
383.22516	1.1
427.21158	8.7
428.21835	1.5
451.21082	0.7
481.26501	1.9
491.24493	1.0
497.25369	1.3
509.25439	24.2
510.25894	4.6
511.27966	0.8
517.23212	0.7
527.25977	0.9
533.25372	7.8
534.26031	1.6
541.27948	7.8
542.28217	1.1
547.30994	1.1
551.26324	6.3
552.27356	1.0
565.28101	1.2
577.24438	4.2
579.29346	0.9
583.29053	4.5
591.29553	11.8
592.01947	0.8
592.30365	2.5
595.25720	1.7
605.31305	1.3
609.27368	1.0
633.30621	44.9
634.31110	11.6
665.33423	19.0
665.44043	1.1
666.33936	4.6
677.29620	24.7
678.29919	5.6
691.29321	1.5
709.31830	8.7
710.32654	2.1
751.40173	1.2
769.40845	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	769.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	29.7
61.98829	6.5
65.55819	0.6
66.88736	0.7
70.93636	0.6
71.01365	1.5
73.02932	2.4
75.00877	1.9
83.66054	0.7
98.20745	1.3
100.97734	0.6
117.05568	0.8
121.02953	100.0
122.03288	2.3
144.73901	0.8
145.02942	2.8
145.16757	0.7
209.11815	1.3
216.95154	0.6
219.66681	0.6
277.21457	1.0
419.57300	0.8
424.99728	0.7
524.19391	0.7
559.44604	0.7
591.33228	1.1
609.34265	9.3
610.34680	1.4
628.45630	0.8
651.35345	47.8
652.35663	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	769.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05189	0.7
58.18375	0.7
59.01379	100.0
60.01717	1.5
61.98536	0.9
61.98834	10.5
64.19863	0.8
69.03497	0.8
71.01385	6.2
71.52763	1.4
73.02910	0.8
83.05032	1.4
91.80444	0.6
94.98013	0.7
96.96014	0.9
97.02948	1.1
97.06593	1.2
99.00893	1.2
99.04518	66.7
100.04831	2.0
107.05003	1.3
109.06593	1.6
111.04488	0.9
119.04977	0.7
121.02959	7.4
133.06544	1.5
137.09731	1.0
147.04556	3.8
159.08177	1.7
163.11259	1.5
171.08096	1.0
171.10266	3.0
185.09753	1.0
185.11839	0.8
198.06773	1.8
199.07695	4.3
207.10197	2.6
209.11826	8.0
211.13304	1.0
213.09215	5.1
214.09883	1.2
215.10609	0.9
225.11263	2.3
227.12883	0.9
241.12431	0.9
251.10645	0.9
253.09262	1.4
266.05945	0.8
289.18024	1.2
291.10889	0.8
291.19562	1.1
295.13406	2.6
307.19217	1.2
309.20667	1.8
331.72540	0.8
409.19955	1.3
427.21222	10.0
428.21426	1.5
451.21317	0.9
455.24176	0.9
459.23721	1.3
473.23517	1.4
473.95074	0.9
481.26028	1.6
491.24466	1.0
509.17798	1.1
509.25397	21.9
510.25781	3.7
533.25360	7.0
534.25714	1.6
541.28235	5.3
542.28870	1.2
547.30725	1.1
551.26422	7.4
552.26947	1.8
577.24500	4.8
578.24512	1.6
583.28931	3.3
591.29578	9.8
592.29840	2.5
595.25110	2.2
609.27563	1.6
633.30695	35.8
634.31146	8.7
665.33801	12.1
666.32898	2.6
677.29657	37.1
678.29907	9.9
691.28973	1.9
709.31891	12.1
710.31934	2.6
769.39954	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	769.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15938	0.4
55.88696	0.4
59.01379	37.7
60.01713	0.5
61.98830	100.0
68.88290	0.4
69.03465	0.5
71.01386	0.9
83.05016	0.8
88.98788	0.6
93.03457	0.4
95.05050	0.5
98.19904	1.4
99.00905	0.7
99.04518	37.2
100.04852	1.3
101.02429	0.5
108.02243	0.4
121.02930	0.9
123.04505	0.7
133.06589	0.6
135.04529	0.8
136.05362	0.8
147.04526	1.3
147.30377	0.4
159.08212	0.7
161.09807	0.4
169.12320	0.7
171.10307	1.3
184.05331	0.5
185.09760	0.9
185.94635	0.5
187.11507	0.6
197.11864	1.9
198.06870	0.6
199.07790	0.7
208.90724	0.4
211.07681	0.5
213.09236	1.7
215.10805	0.6
229.18892	0.5
253.09409	0.5
295.13480	0.8
327.21790	0.6
332.11362	0.4
399.22336	0.5
409.20078	0.5
427.21274	4.0
428.21274	0.5
455.24454	1.0
465.26761	0.9
481.26636	0.6
497.25751	0.9
509.25470	8.5
510.25647	1.2
531.42828	0.4
533.25409	5.4
534.25775	0.7
546.20905	1.2
547.21173	1.4
547.30688	0.7
551.26154	3.3
552.27167	0.5
577.24286	4.0
578.24207	0.7
579.29999	0.9
591.29791	1.6
592.30078	0.6
595.25507	2.3
609.27466	0.9
627.28650	0.8
633.30627	9.1
634.31213	1.7
649.25964	0.8
677.29614	34.7
678.30042	8.2
709.32330	6.9
710.33051	1.6
769.39709	2.7
770.40320	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00188	0.7
55.78813	0.7
59.01378	100.0
60.01718	1.1
61.98832	17.5
70.98627	0.5
71.01385	0.8
71.52133	1.3
83.05019	0.9
85.58945	0.7
93.03487	0.8
99.04518	65.4
100.04862	1.6
109.06609	0.8
121.02985	1.3
123.04549	0.8
133.06584	2.8
137.09669	0.7
147.04546	1.5
147.08270	0.9
149.06096	0.7
159.08261	1.0
161.06099	0.7
161.09703	1.0
169.12315	0.9
170.07405	0.9
171.08171	0.9
171.10294	0.8
173.09718	1.2
184.05305	0.8
185.09749	2.0
187.11307	1.2
197.06073	0.8
197.11903	2.3
198.06792	3.4
199.07590	8.3
201.12984	0.7
213.09198	9.5
214.09633	1.1
241.12306	0.8
252.11575	1.0
267.13824	0.7
277.12524	1.0
281.11664	0.7
285.14905	1.3
286.19305	0.7
289.18143	1.1
295.13464	2.8
335.16629	0.9
361.18167	1.6
365.17511	1.4
383.22888	1.0
399.21802	1.0
409.20200	1.3
423.21707	0.8
427.21255	14.8
428.21585	2.2
433.19876	1.1
459.23984	1.9
481.25946	1.4
491.24194	1.1
497.25473	1.0
509.25415	38.8
510.25836	6.8
523.26831	0.9
533.25415	5.6
534.26398	0.9
541.28143	12.0
542.28790	2.0
551.26544	8.6
552.27051	1.6
565.28217	2.8
573.28870	1.6
583.28650	5.2
584.29791	1.0
591.29639	16.8
592.29987	4.8
633.30646	71.5
634.30896	15.3
665.33301	30.5
666.33557	8.4
709.32465	2.9
769.40405	2.6
770.40320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.43031	0.4
60.01706	0.8
61.23698	0.4
61.98833	2.6
71.01395	2.2
95.81304	0.4
98.20280	2.6
99.00871	6.4
99.04520	7.9
115.92118	0.5
121.02954	21.0
122.03314	0.8
130.76241	0.4
133.06635	0.8
147.04529	10.6
171.08197	0.6
193.01347	0.5
199.07649	1.1
201.60197	0.5
209.11819	0.8
213.09344	1.3
214.95851	0.5
229.05109	0.5
286.43335	0.6
324.02829	0.6
326.21817	0.5
385.34900	0.6
427.21405	1.4
482.42697	0.6
509.25427	4.3
510.26004	0.9
533.25781	1.0
541.28485	0.9
550.13544	0.5
551.26819	1.0
561.25366	0.6
583.29419	0.8
591.28705	2.4
609.28864	1.3
633.30615	6.3
634.31744	1.3
637.27905	0.9
647.26971	1.0
663.29980	1.3
665.27319	1.9
665.35144	1.5
673.28546	0.9
677.29803	2.7
691.29138	5.0
692.29120	0.9
709.30273	12.3
710.30469	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	769.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98838	20.1
69.06977	1.1
69.17454	1.1
70.01282	5.6
71.01389	8.3
78.95934	1.5
82.32359	1.1
85.02956	9.3
87.00871	1.2
97.77712	1.3
98.19823	1.6
98.20401	2.8
99.00882	11.8
99.04530	1.3
111.04482	1.0
113.02437	1.3
121.02955	26.3
129.46036	1.2
147.04520	24.6
169.27505	1.2
171.10286	8.2
193.31267	1.2
197.11732	1.9
203.07396	1.2
207.10223	2.6
209.11905	7.2
223.09647	1.7
225.11389	3.8
251.11655	1.3
253.09279	2.6
267.67606	1.3
291.19730	2.7
307.19144	1.9
409.31335	1.4
472.49252	1.4
665.27716	2.5
673.26709	8.2
674.27264	1.7
676.10742	1.3
691.29236	5.6
701.25775	5.8
709.30176	12.5
710.30304	3.6
733.28937	3.5
769.39429	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	769.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.5
57.03447	24.2
58.87435	0.6
59.01377	8.1
67.01888	1.7
68.99823	0.8
71.01378	9.4
71.53700	1.1
72.99300	1.1
73.02926	3.1
75.00867	1.9
83.01384	11.5
84.02164	2.3
85.02949	100.0
86.03288	2.4
87.00880	1.5
89.02468	0.9
99.00864	1.0
99.04519	3.9
101.02438	8.5
103.03983	2.1
111.00880	35.5
112.01244	1.0
113.02425	1.8
119.05030	4.2
121.02937	1.8
123.04519	0.7
125.02442	2.2
129.01941	53.4
130.02225	1.6
134.03746	9.4
135.04463	0.8
139.00349	0.7
147.02985	4.3
149.06023	1.5
153.05518	0.7
161.04550	5.9
163.03978	3.5
177.01956	1.1
177.04015	0.9
178.02737	1.8
180.04343	0.7
187.02484	4.0
191.02083	1.2
193.05070	9.4
195.06599	2.1
205.03519	58.7
206.03918	1.8
223.04581	37.1
224.04900	0.9
251.11333	1.1
269.06772	1.2
293.12363	1.0
365.14517	2.6
369.08289	2.9
381.08456	0.9
395.15546	2.1
399.09283	37.7
400.09586	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	769.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39977	4.8
58.31854	4.5
59.01372	22.4
61.98828	100.0
71.00420	5.1
71.00746	7.4
83.63854	4.5
93.51987	4.9
97.73141	4.3
147.04515	72.4
148.04768	26.2
149.05083	6.4
159.72676	5.1
171.10175	5.7
209.74736	4.9
216.32179	5.0
225.11340	5.5
289.17886	6.1
460.71783	5.1
571.21796	7.9
621.25739	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	768.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.9
60.01719	0.3
61.98830	100.0
62.26862	0.1
62.98550	0.2
66.50468	0.1
70.86674	0.1
71.01391	0.5
72.99334	0.1
73.01788	0.1
78.09911	0.1
84.02178	0.3
85.02959	0.4
88.98801	0.2
89.02452	0.3
96.96035	0.1
99.04546	0.5
101.02446	0.2
113.02512	0.3
114.02801	0.1
115.00337	0.1
115.07935	0.1
119.03471	0.1
121.02915	0.2
134.03787	0.2
147.04581	0.2
164.84996	0.1
175.03981	0.2
193.05110	0.2
209.11850	0.3
229.52132	0.2
309.20792	0.2
473.25989	0.2
499.26874	0.2
500.27600	1.1
501.27332	1.0
502.27960	1.2
514.28912	0.5
515.29425	0.4
516.29156	0.6
543.29028	0.2
544.29224	0.2
545.27789	0.3
587.28760	0.2
629.29675	0.6
737.25897	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
61.98829	100.0
68.99586	0.1
69.18994	0.4
69.19411	0.8
70.99591	0.1
71.01386	0.7
72.27253	0.1
75.00865	0.2
78.53336	0.1
80.84208	0.1
80.96549	0.1
85.02974	0.2
88.98803	0.3
89.02484	0.2
96.96021	0.4
99.04530	0.2
101.02470	0.3
113.02447	0.2
114.05578	0.2
121.02978	0.3
141.05458	0.1
147.04602	0.1
209.11868	0.3
222.51784	0.1
227.12718	0.1
275.62354	0.1
284.97339	0.1
309.20779	0.2
310.20978	0.3
565.21942	0.1
705.31482	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
61.98831	100.0
64.87453	0.1
69.34831	1.2
71.01389	0.6
80.96516	0.3
85.02941	0.3
87.00884	0.2
88.98811	0.4
89.02462	0.2
96.96026	0.4
99.04514	1.0
101.02459	0.3
107.60253	0.1
113.02449	0.2
114.05618	0.3
121.02970	0.3
122.45145	0.1
125.02472	0.2
127.63232	0.1
158.02737	0.1
171.87860	0.2
175.06030	0.1
209.11896	0.5
473.25833	0.2
545.27875	0.4
579.34326	0.2
587.29248	0.3
621.29333	0.4
629.30286	0.6
663.30078	1.2
705.31329	2.6
706.31836	0.5
725.37518	0.1
768.31604	0.8
769.33105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12923	0.2
59.01381	1.2
59.83593	0.1
61.98830	100.0
62.98528	0.1
71.01398	0.5
71.54111	0.2
73.02979	0.2
80.96510	0.3
85.02956	0.2
88.98816	0.3
96.96033	0.5
99.04535	1.1
101.02445	0.3
114.05618	0.4
116.92896	0.2
121.02969	0.4
147.04442	0.2
165.99866	0.1
191.03529	0.2
209.11855	0.3
211.13451	0.2
265.09283	0.1
299.86578	0.1
348.23181	0.1
472.38663	0.1
473.25601	0.3
545.27759	0.5
587.28662	0.3
628.21417	0.2
629.30151	0.5
663.30200	1.0
664.31342	0.2
705.31274	2.0
706.32129	0.4
768.33179	0.5
769.34406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.5
61.98830	14.3
64.30214	0.9
71.01392	4.2
71.52562	1.1
78.95918	1.6
80.96525	6.1
82.96082	1.9
85.02948	1.8
89.02452	2.5
94.98117	1.4
101.02426	2.6
106.65334	0.9
113.02435	1.6
161.04552	1.5
174.32887	0.9
181.86108	0.9
183.13863	4.8
193.12282	1.5
211.13393	85.0
212.13771	5.1
219.20482	1.0
225.00856	1.7
235.08247	4.4
253.09317	8.5
255.23329	1.3
277.21716	100.0
278.22089	8.6
291.19699	2.1
307.22662	1.0
429.21176	1.1
447.22101	4.8
501.12170	1.0
513.30334	1.6
670.47382	0.9
767.41034	12.1
768.41846	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	767.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58087	0.2
57.03438	0.3
59.01377	2.7
60.99307	15.6
61.51912	0.2
61.98836	0.2
69.25585	1.4
69.26003	0.6
71.01379	1.4
72.67179	0.2
73.02972	0.3
74.59610	0.2
74.99058	0.3
79.95723	1.1
82.49077	0.2
82.59745	0.2
85.02944	0.9
87.00886	0.8
88.00401	1.1
88.98806	100.0
89.02445	3.6
89.99130	0.9
96.96010	20.8
97.95960	0.2
98.20143	1.0
98.95594	3.3
98.96432	0.7
101.02464	0.4
107.70979	0.2
113.02456	0.5
115.42349	0.2
124.13715	0.2
135.04532	0.3
140.48413	0.2
148.58549	0.2
163.60666	0.2
225.16124	0.3
289.11148	23.5
290.11499	5.8
291.10815	5.6
292.11224	0.8
426.55301	0.3
657.18976	0.2
677.49866	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53128	0.7
61.98823	2.2
63.96231	2.0
66.76184	0.8
71.01380	7.2
73.02923	1.8
78.95891	3.6
78.98591	6.1
79.95733	14.3
80.96513	75.9
82.96087	1.6
83.01414	0.7
85.02947	2.6
87.00846	2.7
94.98080	17.0
96.95973	0.9
97.02918	1.6
98.19927	1.9
101.02430	2.7
106.98084	2.6
122.97563	3.5
125.02421	3.3
134.97577	5.3
136.99129	2.3
137.98541	0.7
148.99156	8.1
152.98622	7.2
152.99664	1.3
160.12248	0.8
164.98633	11.5
196.89413	3.9
197.11795	2.4
197.89516	0.9
206.99594	2.6
225.00729	20.5
226.01138	0.7
238.67616	0.9
247.33459	0.8
255.23224	2.8
277.21701	1.0
279.23303	1.6
301.27829	0.7
460.72723	0.9
511.18521	2.5
537.27161	0.9
634.09918	0.9
663.25464	0.9
767.42377	100.0
768.42584	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39844	0.5
56.97791	0.5
57.03447	2.1
58.00596	1.1
59.01380	76.5
60.01726	1.2
61.74270	0.5
61.98828	21.4
65.62060	0.5
66.27518	0.5
71.01383	18.9
71.54528	0.5
72.99303	1.2
73.02948	13.6
75.00883	1.5
83.01395	4.4
85.02940	5.4
87.00886	2.2
88.98792	0.6
89.02451	7.1
94.09087	0.5
95.01413	1.1
96.96004	1.2
99.00866	1.3
99.04507	6.5
100.04770	0.6
100.31903	0.6
101.02442	13.5
113.02455	6.3
119.03543	2.6
123.04521	0.6
125.02433	1.1
143.03467	0.9
151.04089	0.5
161.04501	1.1
198.68864	0.5
209.11783	0.8
313.27475	1.4
339.25418	1.5
357.26498	1.1
449.21616	0.6
501.30704	0.7
503.33133	0.6
517.20874	1.6
519.31885	6.9
520.32397	1.0
531.26184	0.8
533.23944	1.5
543.31696	0.7
545.23553	1.1
561.32770	100.0
562.33130	16.3
565.26361	1.1
573.27594	0.9
585.32855	1.8
615.28107	6.1
616.28021	0.9
629.29736	0.7
647.30194	0.9
665.38904	1.6
707.40002	1.5
723.38098	2.3
767.39752	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
55.73601	0.3
57.03445	0.5
59.01378	100.0
60.01705	1.4
61.98829	19.0
67.60361	0.3
71.01378	6.2
71.30305	0.6
72.99301	0.7
73.02950	2.8
74.99097	0.7
75.00857	0.4
77.65615	0.3
83.01392	1.0
85.02953	3.6
87.00891	1.1
87.04531	0.3
87.26845	0.3
88.98833	0.8
89.02449	2.0
95.01389	0.8
96.96024	0.9
97.02962	0.6
99.00867	0.6
99.04520	1.7
101.02444	4.2
103.04030	0.9
107.34004	0.3
113.02442	2.0
115.00395	0.3
119.03463	0.5
121.03001	0.6
125.02466	0.6
131.54364	0.3
133.01427	0.4
136.99141	0.5
143.03517	0.6
147.04503	0.4
161.04605	1.1
179.59775	0.4
209.11868	0.9
265.09283	0.4
339.25385	0.3
389.26923	0.4
445.29541	0.4
471.27893	1.0
501.30948	0.4
503.33911	1.5
519.31750	2.0
547.33441	0.3
561.32758	13.5
562.33124	2.6
573.28394	0.3
602.91608	0.4
615.28296	0.7
647.38208	2.8
648.38458	0.6
665.38806	4.9
666.39484	0.7
707.39978	4.8
708.41174	1.1
723.38538	1.1
767.42346	1.9
768.42047	0.5
778.44025	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39844	0.5
56.97791	0.5
57.03447	2.1
58.00596	1.1
59.01380	76.5
60.01726	1.2
61.74270	0.5
61.98828	21.4
65.62060	0.5
66.27518	0.5
71.01383	18.9
71.54528	0.5
72.99303	1.2
73.02948	13.6
75.00883	1.5
83.01395	4.4
85.02940	5.4
87.00886	2.2
88.98792	0.6
89.02451	7.1
94.09087	0.5
95.01413	1.1
96.96004	1.2
99.00866	1.3
99.04507	6.5
100.04770	0.6
100.31903	0.6
101.02442	13.5
113.02455	6.3
119.03543	2.6
123.04521	0.6
125.02433	1.1
143.03467	0.9
151.04089	0.5
161.04501	1.1
198.68864	0.5
209.11783	0.8
313.27475	1.4
339.25418	1.5
357.26498	1.1
449.21616	0.6
501.30704	0.7
503.33133	0.6
517.20874	1.6
519.31885	6.9
520.32397	1.0
531.26184	0.8
533.23944	1.5
543.31696	0.7
545.23553	1.1
561.32770	100.0
562.33130	16.3
565.26361	1.1
573.27594	0.9
585.32855	1.8
615.28107	6.1
616.28021	0.9
629.29736	0.7
647.30194	0.9
665.38904	1.6
707.40002	1.5
723.38098	2.3
767.39752	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	4.7
59.01380	75.9
61.98832	100.0
68.96693	1.8
70.11113	1.6
70.67442	1.7
71.01382	8.1
73.02949	7.9
79.05531	2.8
83.05019	4.3
85.02953	5.5
88.98820	7.6
96.96027	2.9
98.20699	3.4
99.04519	77.7
100.04848	1.8
101.02449	4.6
107.05051	3.0
109.06594	9.7
121.02939	11.2
123.04525	1.8
129.01956	13.3
133.06509	2.3
133.10234	5.1
135.04550	4.9
139.51704	2.0
142.55148	1.7
144.05843	2.3
147.04506	10.5
151.00354	1.8
159.08183	5.9
161.04553	2.6
167.07057	1.8
178.89131	1.7
185.50606	1.9
191.10820	3.9
193.08679	2.3
209.11734	2.2
218.39224	1.8
269.15564	2.2
334.48456	1.7
353.17462	2.0
471.23660	10.6
513.24951	32.7
514.25385	4.1
549.23230	3.2
551.25110	3.7
575.24780	7.1
593.26007	91.6
594.26288	15.0
615.27155	2.3
633.28802	5.6
649.30017	2.7
675.29462	24.1
676.29834	5.2
707.32489	3.7
723.41827	5.5
767.35876	7.5
768.36664	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	767.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92525	0.5
57.03451	57.8
58.03764	0.6
59.01382	57.6
60.01690	0.8
67.70133	0.4
71.01012	0.8
71.01386	13.2
72.99306	0.5
73.02949	9.3
80.27480	0.5
81.03477	1.3
83.01399	3.2
85.02955	9.8
87.00881	1.1
87.04521	2.0
89.02437	3.3
95.01379	0.8
97.02943	0.8
98.20155	3.6
99.00871	1.4
99.04525	52.9
100.04871	1.3
101.02443	23.7
103.04024	10.9
105.01980	0.5
113.02456	6.3
115.03976	1.1
117.05588	9.0
119.03470	0.9
125.02454	20.7
126.02771	0.6
129.01945	2.9
133.82022	0.5
141.09166	0.6
143.03487	3.3
147.03001	5.5
150.03252	0.7
153.09215	1.6
159.02950	1.1
159.06641	1.0
159.10300	0.7
161.02422	0.8
161.04576	5.1
161.74614	0.7
162.32062	0.5
165.05598	0.6
203.09154	0.6
221.10283	18.0
222.10657	0.8
227.08226	0.7
228.08931	0.7
229.23761	0.6
239.12878	1.5
247.08304	2.9
263.11371	11.5
264.11737	0.9
265.09302	5.4
271.10748	1.5
279.14484	1.0
289.12048	2.6
303.14536	4.1
307.10300	5.0
321.11841	3.9
321.15582	2.5
349.74530	0.6
365.14511	100.0
366.14871	8.1
494.91446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90334	1.2
56.50747	1.1
59.01379	100.0
59.61307	1.1
60.01713	1.2
61.98830	70.8
71.01366	4.2
75.00874	3.0
83.01373	1.7
83.05015	3.4
85.02945	3.0
88.98800	8.0
99.04490	7.4
103.05540	2.3
107.05032	1.5
109.06574	2.0
111.04512	5.8
119.04987	1.4
121.02936	5.0
121.03793	1.2
127.04015	9.0
131.04973	1.4
131.08687	2.9
135.04501	4.3
141.05556	2.4
142.87590	2.9
145.06662	2.0
147.04523	94.7
147.08168	1.9
148.04849	2.7
151.07597	1.8
156.18872	1.3
157.06586	1.9
159.08089	1.8
161.06061	4.0
165.09105	1.3
167.07088	3.9
169.05061	15.7
171.04517	2.1
171.08064	1.7
173.06126	2.8
175.07578	1.2
179.07004	1.3
183.08046	1.9
185.09694	1.5
187.07680	3.6
189.09178	2.8
191.10776	6.5
193.08752	2.9
195.08031	1.6
199.07658	1.5
207.10030	1.2
213.09262	1.9
216.07808	1.2
217.08638	1.8
235.16028	1.4
238.37453	1.4
239.10608	2.1
273.11356	3.6
274.80606	1.2
275.12833	1.8
281.11896	1.6
357.17056	1.5
409.16339	1.9
429.19040	5.8
435.17944	3.6
449.19562	3.1
456.67542	1.5
467.20465	2.7
469.18607	4.0
485.21893	6.1
486.21564	1.3
495.20300	5.4
513.21265	5.3
527.22986	8.0
528.23267	1.5
601.24408	5.3
615.25922	5.2
625.24536	1.7
633.27094	5.7
643.25415	14.2
644.25311	2.8
675.28076	95.4
676.28265	17.5
686.12000	1.4
707.30255	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	767.328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.1
59.01381	50.6
59.89359	1.0
60.99282	1.2
61.98832	100.0
70.82029	1.3
70.82352	1.8
71.01360	3.7
72.99292	2.3
75.00866	1.8
81.03410	1.1
83.05009	1.9
85.02940	3.2
87.00893	6.1
88.15434	1.2
88.98809	6.3
89.02470	1.1
96.48183	1.0
96.96005	3.6
99.00867	1.5
99.03918	1.6
99.04515	18.9
100.04831	1.3
101.02457	6.8
104.68288	1.1
109.02924	1.3
111.04490	3.7
115.00329	2.6
115.86200	1.0
116.92832	4.8
119.05012	2.8
121.02959	40.9
121.06566	1.6
122.03270	1.7
122.54689	1.2
127.03996	3.9
133.06593	1.4
135.04610	1.2
141.05489	1.2
147.04527	47.3
148.04843	3.0
152.01125	1.5
159.08105	1.9
161.06012	1.3
164.83406	1.1
167.07120	1.4
169.05110	5.7
171.10078	1.1
183.08133	1.3
187.07623	2.3
191.10748	2.1
197.11826	2.0
199.07729	1.2
209.11739	2.0
211.11302	1.3
213.09265	2.0
237.12656	1.9
357.16995	1.4
435.18008	1.1
443.30685	1.1
449.19629	1.6
451.24799	3.9
477.22711	3.0
485.21481	1.9
495.24103	5.7
513.20953	1.8
527.23035	2.5
528.23840	1.2
537.24707	1.9
601.24713	2.3
603.25800	2.6
615.25830	1.6
626.24713	1.1
629.27557	2.1
633.27161	2.9
634.26544	1.4
643.26941	9.3
644.26837	2.4
647.28107	3.4
649.29413	1.2
675.28088	33.2
676.28198	4.6
685.28741	24.4
686.29626	5.7
689.29285	2.1
708.34320	1.2
730.05878	1.3
735.26135	1.9
767.18225	2.1
767.32581	41.5
768.32788	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	767.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45811	0.6
59.01381	6.9
61.98832	100.0
62.38749	0.6
71.01395	2.3
71.53723	1.1
73.02938	0.9
85.02956	1.6
87.00947	0.8
88.98830	1.5
89.02461	1.1
96.96036	1.2
99.00883	8.5
99.04549	2.5
101.02486	1.6
119.05132	0.6
121.02962	9.2
125.02494	1.0
147.04521	1.2
192.04219	0.7
197.11995	0.8
209.11835	4.1
210.12244	1.2
211.13528	1.3
309.20786	1.7
363.61667	0.6
397.13641	0.9
438.93314	0.7
450.96524	0.6
489.22842	0.7
503.24515	2.1
587.26416	0.9
631.26068	1.4
663.28479	1.2
675.25476	0.7
707.26837	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.0
61.98829	100.0
71.01383	3.0
71.28662	0.4
71.54382	0.6
72.99317	0.5
73.96850	0.5
81.03501	0.5
85.02960	1.2
87.00913	0.5
88.98820	1.4
89.02449	0.8
96.96039	1.0
97.02982	0.6
99.00877	6.4
99.04530	1.9
101.02459	1.1
106.42251	0.4
113.02455	0.7
114.05650	0.6
121.02951	8.9
122.99705	0.4
125.02463	0.9
133.01419	0.5
135.04488	0.5
147.04558	0.5
171.10220	0.5
197.11821	0.4
201.11331	0.9
209.11795	3.9
210.12206	0.6
211.13371	1.4
227.12854	0.6
309.20767	1.0
339.22623	0.5
397.13406	1.0
489.22812	1.3
503.24454	0.9
520.81696	0.6
545.27667	0.7
575.27631	0.7
587.26868	1.1
607.25690	0.7
615.28400	0.7
617.29138	0.5
631.25446	0.8
675.25049	0.6
707.27985	1.4
767.37616	0.6
768.33478	0.6
788.69971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88154	0.2
61.98828	100.0
66.63019	0.1
68.99570	0.1
71.01386	0.3
78.95933	0.2
78.98593	0.2
79.95750	0.4
80.96514	2.4
82.96104	0.2
89.93169	0.1
94.98077	0.6
107.41946	0.1
118.01765	0.1
146.20303	0.1
148.99110	0.2
152.98663	0.3
164.98619	0.3
181.14955	0.1
183.27039	0.1
209.11919	0.3
209.89804	0.1
225.00754	0.7
226.01042	0.1
255.23581	0.1
292.55081	0.1
312.74951	0.1
590.13647	0.1
766.41193	3.1
766.54150	0.2
767.41644	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
57.62989	1.2
59.01379	46.0
61.98831	19.4
62.80304	1.2
69.03462	2.4
71.01391	6.9
72.99284	1.4
75.00896	1.3
76.68511	1.2
79.05533	2.4
81.03483	1.2
83.05022	4.5
85.02929	1.7
89.43391	1.3
93.03459	2.6
95.05054	1.8
97.02949	1.3
99.00882	31.0
99.04494	2.3
101.02470	8.5
103.05538	2.1
105.07060	1.5
107.05027	1.5
109.02946	3.6
111.04521	4.5
115.00379	1.3
119.04963	1.3
121.02946	6.2
121.06596	5.1
123.04531	3.6
131.05019	1.4
133.06529	1.2
135.04492	2.5
137.02415	3.1
139.03990	2.5
145.06528	1.3
147.04521	43.1
147.08180	1.2
148.04887	3.0
149.06128	3.2
151.07643	1.2
159.04585	1.9
159.08110	1.5
161.06108	1.8
171.04463	2.0
177.05434	1.6
194.05638	2.0
203.55392	1.2
212.08405	1.2
227.10739	2.3
237.09062	1.3
261.12842	1.3
268.92352	1.2
332.66400	1.2
351.15979	1.5
351.25024	1.3
371.31375	1.2
389.12350	7.4
427.17657	1.8
459.16473	6.7
473.23120	1.9
475.19739	14.2
485.18262	4.9
499.19424	1.9
503.19131	17.4
515.24469	5.2
517.20764	33.2
518.21283	4.9
527.19171	2.8
528.19080	1.3
545.20245	100.0
546.20642	14.0
559.23584	8.2
617.23834	1.5
623.78363	1.5
629.24237	3.4
643.25604	1.6
647.24951	41.0
648.25354	7.6
661.26428	3.2
735.25439	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	766.272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03224	0.2
59.01381	1.0
60.31509	0.2
60.99305	2.6
61.98828	100.0
69.76932	0.6
69.77341	0.3
71.01379	0.3
72.99297	1.0
79.37724	0.2
86.95688	0.2
87.00907	0.2
88.00404	0.7
88.44369	0.1
88.98804	16.0
89.02438	3.0
89.99148	0.8
90.02788	0.2
90.99221	0.1
98.20636	0.3
101.02485	0.2
121.02934	0.2
147.04550	0.9
167.36771	0.1
197.11868	0.2
397.13556	0.2
441.09293	0.2
570.23773	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
61.98831	100.0
66.71240	0.1
68.63725	0.1
71.01382	0.1
83.05001	0.1
85.02953	0.1
88.98812	0.1
97.02999	0.1
98.25571	0.1
99.00873	0.2
99.04543	0.4
101.02441	0.6
121.02953	0.4
133.06577	0.1
147.04536	1.7
147.05663	0.2
148.04982	0.1
150.27811	0.1
157.06511	0.1
169.05135	0.2
173.06088	0.1
174.26314	0.1
209.12074	0.1
405.88986	0.1
595.02209	0.1
627.28857	0.1
643.26355	0.2
675.28070	1.5
706.31927	0.3
766.37823	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	766.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.0
60.99306	5.3
61.98829	100.0
62.98524	0.2
70.34815	0.4
71.01381	0.3
72.99313	1.7
87.00894	0.4
88.00396	1.0
88.98803	26.8
89.02441	6.4
89.99122	1.5
90.02779	0.4
99.00851	0.2
101.02478	0.2
108.25207	0.2
113.16870	0.1
116.92874	0.2
121.02926	0.2
123.14461	0.1
123.88805	0.1
133.52187	0.2
137.06093	0.2
147.03371	0.2
147.04517	2.1
148.04784	0.3
277.21613	0.3
357.64157	0.2
397.13077	0.3
690.02533	0.2
734.28644	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
60.99306	2.7
61.98828	100.0
71.52415	0.3
72.99313	1.2
78.95851	0.2
87.00883	0.3
88.00404	0.7
88.98805	13.7
89.02443	2.6
89.99146	0.8
99.00855	0.3
101.02434	0.2
105.12309	0.2
111.67628	0.2
116.92883	0.2
121.02961	0.4
135.04536	0.2
147.04485	1.0
161.02443	0.2
179.62611	0.2
186.87286	0.2
275.98514	0.2
295.61774	0.2
412.34250	0.2
759.88995	0.2
767.40765	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.7
60.99306	16.7
61.98829	37.2
62.87302	0.2
70.82564	0.6
71.01388	0.8
75.89776	0.3
87.00877	1.7
88.00411	4.5
88.01213	0.3
88.98805	100.0
89.02438	16.5
89.99136	1.1
97.02996	0.3
101.02471	0.3
104.11980	0.3
106.87077	0.2
147.04492	1.2
207.10222	0.3
277.21600	0.8
397.13370	1.6
415.14130	0.7
455.29883	0.3
589.18524	0.3
601.04248	0.3
733.28400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.4
60.01741	0.3
60.99306	19.2
61.98830	85.4
71.01385	0.9
72.99309	0.9
81.03423	0.3
85.02979	0.3
87.00877	1.8
88.00409	3.9
88.98805	100.0
89.02441	19.4
89.99108	1.4
90.02757	0.3
99.00882	0.9
99.04482	0.4
101.02452	0.3
101.06100	0.3
119.04968	0.5
121.02885	0.5
123.04461	0.5
147.03387	0.4
147.04515	6.0
148.04810	0.3
149.06007	0.3
151.03943	0.3
171.10210	0.3
229.00691	0.4
277.21408	0.7
397.13635	1.5
415.14297	0.5
525.00562	0.3
733.28174	0.8
745.09302	0.3
765.28937	0.4
792.56946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
60.36658	0.2
70.72285	0.3
71.01373	0.3
79.95734	4.4
96.96011	67.5
98.95573	0.3
116.79137	0.2
142.81645	0.2
147.27219	0.2
162.67453	0.2
289.11142	100.0
290.11478	8.2
291.10974	0.7
381.06744	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
58.00605	2.4
59.01380	100.0
60.01719	1.2
61.98833	10.0
62.32699	0.5
66.72163	0.4
68.99873	0.6
71.01382	22.3
72.99310	4.1
73.02948	3.5
75.00888	1.5
81.03461	0.5
83.01397	3.3
83.05019	1.3
84.02167	20.7
85.02950	19.1
86.03307	0.7
87.00890	2.5
87.04520	1.1
88.98810	0.5
89.02444	10.0
89.02947	0.8
90.98612	0.5
95.01395	6.0
96.96039	0.8
97.02942	0.5
97.06612	0.7
99.00917	1.1
99.04540	2.7
99.55423	0.5
101.02444	19.9
101.15057	0.5
102.02766	0.6
107.05010	0.6
109.02956	0.6
110.00089	3.6
111.00912	1.2
111.04495	0.5
112.01685	1.9
113.02449	29.7
113.06147	0.5
113.08698	0.6
115.00284	0.6
115.83477	0.5
116.92848	1.2
119.03503	11.5
121.02938	0.9
125.02467	0.7
143.03537	3.2
147.02988	0.9
147.04469	0.7
157.06618	0.6
161.04536	7.2
179.05585	1.4
201.25716	0.5
209.11816	5.9
227.10811	0.6
227.12892	1.3
261.14886	0.5
273.65585	0.5
355.26501	0.6
385.27588	1.2
415.28552	1.1
429.26407	1.1
443.28006	1.7
457.25989	7.6
458.26382	1.6
471.27515	13.2
472.27917	2.5
499.19315	0.9
499.27011	63.4
500.27325	10.5
513.28571	75.2
514.28937	12.8
517.28046	1.4
531.26031	0.9
541.28052	37.9
542.28455	6.7
553.28503	2.3
571.29102	4.3
573.27545	1.0
602.29919	0.6
615.27893	1.6
661.32635	0.7
705.31348	2.8
706.31708	0.7
765.32471	0.8
765.73224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91991	0.4
57.03434	1.9
58.36135	0.4
59.01381	24.2
60.01678	0.4
61.98832	26.0
62.51963	0.4
65.81668	0.5
69.03433	0.5
69.19759	1.7
69.20181	2.8
71.01390	4.8
72.99294	1.6
73.02921	0.7
75.00861	0.7
75.50684	0.4
83.05051	0.5
84.02164	7.8
85.02950	6.4
87.00871	1.3
88.98809	0.7
89.02440	0.9
95.01394	1.8
95.05064	0.5
97.64682	0.5
98.19846	0.9
99.00877	1.7
99.04525	1.2
101.02452	6.0
107.04962	0.6
110.00105	0.7
111.04521	1.0
112.01656	0.8
113.02452	10.8
121.02921	1.5
123.04539	0.6
125.02406	0.9
143.03525	0.6
147.04514	10.4
148.04863	0.6
161.04514	1.9
167.97704	0.5
174.14601	0.5
209.11771	1.3
247.57610	0.4
261.14966	4.2
262.15469	0.5
270.12311	0.4
289.18079	0.7
307.19052	1.0
317.20941	0.7
340.93256	0.5
343.19196	0.7
379.22760	1.1
387.25525	0.6
395.21341	0.8
395.25922	7.2
396.26294	1.0
397.13437	0.6
413.26944	16.8
414.27679	2.5
415.28949	0.6
425.27115	0.8
437.26968	1.1
439.25049	4.1
440.25003	0.7
443.28055	1.3
453.26559	1.0
455.28021	32.1
456.28406	5.3
457.25946	15.3
458.26282	1.8
471.27484	5.8
472.27509	1.1
481.25980	1.2
491.19315	3.0
499.26999	100.0
500.27377	14.2
513.28577	16.4
514.29291	2.6
517.27863	1.0
541.28040	36.5
542.28369	6.9
553.28125	1.2
559.29254	1.6
571.29034	1.7
601.30255	0.8
661.32556	2.3
687.28302	0.7
705.31085	1.5
733.25037	5.3
734.25232	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
59.01379	92.0
60.01719	1.1
61.98808	0.7
71.01382	9.3
72.99290	1.0
73.02970	0.7
75.00890	1.1
78.11235	0.7
79.63156	0.7
81.93308	0.7
83.01403	1.2
84.02171	12.3
85.02958	10.7
87.00878	1.5
87.04512	1.1
89.02443	5.9
95.01402	3.4
95.17329	0.6
98.19949	1.8
99.04527	1.5
101.02444	7.6
110.00112	2.6
112.01624	0.7
113.02453	17.0
115.04022	0.8
119.03477	7.3
119.08793	0.6
120.99648	2.1
143.03545	1.7
151.11276	1.2
152.26781	0.7
161.04590	2.7
209.11769	3.3
227.12892	0.7
238.71045	0.6
347.14719	0.6
385.27390	1.7
429.26315	0.9
439.23978	0.7
443.27905	1.2
457.19461	1.1
457.25845	11.9
458.26450	1.1
471.27557	7.9
472.27924	1.6
499.27005	100.0
500.27350	17.5
500.34247	1.2
513.28552	42.6
514.28857	7.0
517.28558	0.7
541.28046	22.2
542.28467	3.2
553.27905	0.8
571.29242	2.0
607.72174	0.7
705.30670	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.1
59.01377	36.9
60.01716	1.7
61.98829	100.0
62.79987	1.1
67.34653	1.3
71.01381	10.8
72.99308	3.2
73.02943	1.7
74.42649	1.2
75.00860	3.4
81.03448	1.4
83.01402	2.8
84.02170	15.1
85.02950	18.7
87.00383	1.3
87.00882	4.0
88.98812	6.8
89.02473	3.0
95.01397	4.6
96.95997	2.8
97.02930	2.2
98.20693	2.0
99.00887	3.0
99.04517	8.0
99.92568	1.4
101.02445	9.6
102.05573	1.4
103.03998	1.2
109.06558	1.2
110.00085	1.4
110.87029	1.3
111.00827	1.1
111.04495	2.0
113.02451	22.3
116.92828	4.7
117.92844	1.6
121.02953	13.5
121.06544	1.4
123.04495	1.4
132.34190	1.2
147.04494	14.0
148.04840	1.3
161.04536	3.7
186.69305	1.1
207.10269	1.3
209.11870	7.5
227.12785	2.1
261.14908	4.9
395.25952	2.0
413.26941	6.6
427.25354	1.6
437.26999	1.5
439.24707	4.9
443.27722	2.2
453.26697	1.5
455.28058	7.6
457.25851	9.5
471.27499	13.0
472.27692	1.9
491.19376	4.0
499.27026	46.6
500.27307	7.5
513.28571	34.2
514.28680	5.6
517.27850	3.3
541.28015	88.7
542.28522	19.0
553.28217	2.9
559.29480	2.3
571.28705	4.0
601.29901	3.6
613.27637	2.1
677.91266	1.5
687.27588	1.6
705.31830	2.1
733.24634	5.2
734.25201	2.5
765.38080	8.3
766.34833	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	765.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71506	0.9
57.03443	3.9
59.01380	59.6
60.01692	1.1
61.62946	1.0
61.98832	38.0
62.80734	1.0
68.02999	1.0
69.03455	6.2
71.01381	6.7
71.53425	1.3
72.99299	6.3
75.00883	1.6
77.74271	1.1
79.05534	1.5
79.68350	1.0
83.01417	1.5
83.05035	2.7
85.02965	14.4
87.00878	4.3
93.03457	3.8
95.05031	3.4
96.96006	3.7
97.02951	22.2
99.00877	12.6
99.04513	15.4
100.04832	1.3
100.64375	1.2
101.02437	17.6
103.05522	1.6
107.05038	3.7
109.02946	2.8
111.04539	3.9
113.02466	1.3
115.04014	13.2
119.05017	3.3
121.02959	35.0
121.06579	5.7
122.03335	1.2
123.04521	4.4
125.02442	1.3
127.04003	2.5
131.05013	1.6
133.06577	1.4
135.08148	1.6
137.06068	2.1
139.04091	1.3
147.04517	100.0
148.04900	5.7
149.06122	7.6
150.03197	1.2
151.03987	2.8
155.55240	1.0
159.08104	2.2
165.05556	3.5
167.03479	3.3
171.08185	2.3
173.09824	1.2
175.03979	1.1
177.05602	2.7
183.08223	1.2
187.07669	1.4
193.05046	6.0
194.05836	1.7
199.07698	5.7
201.09192	1.8
209.11934	1.9
211.06160	1.4
215.10658	1.8
220.14403	1.1
227.07167	2.0
243.10272	3.6
246.08821	1.3
280.13211	1.3
337.16531	3.5
385.84430	1.2
419.18646	1.8
433.18600	2.5
434.18954	1.2
441.19006	1.3
459.20340	12.2
460.20346	1.6
479.21426	1.3
491.18655	1.7
501.22723	1.8
567.24292	1.3
575.22675	1.1
585.25769	1.4
589.24377	4.3
601.24335	4.1
619.25909	2.5
623.30426	2.9
627.25873	7.3
643.25476	3.5
645.27148	3.7
659.30005	1.5
661.26392	3.3
662.26489	1.4
663.28265	1.6
665.31506	1.6
669.26404	2.0
682.32855	1.8
683.32648	13.9
684.33179	2.5
687.28107	20.3
688.28094	5.9
705.29132	27.1
706.29492	7.6
733.24945	5.3
747.35901	3.0
765.37024	10.9
766.36334	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98830	31.7
65.05677	1.2
71.01388	3.6
72.42405	1.4
80.96523	2.2
81.73015	1.3
83.01407	2.1
85.02948	3.5
88.98816	2.0
96.96016	1.3
98.19946	4.7
98.20655	3.7
99.04519	34.5
101.02427	3.6
101.06103	2.0
112.98589	1.6
121.02944	4.9
133.06631	2.8
147.04507	4.2
147.08015	1.5
161.09677	2.0
187.11302	1.6
198.06898	1.7
199.07639	7.1
209.11710	2.5
213.09175	3.8
241.12360	1.5
242.55078	1.4
253.47823	1.2
280.10880	1.3
295.13477	1.6
361.18552	2.1
427.21188	12.5
459.23987	2.7
481.26385	1.8
509.25397	52.2
510.25421	9.1
511.23318	3.5
533.25610	3.1
541.28192	6.6
542.29681	1.6
543.25598	2.3
551.26416	17.0
593.27570	70.4
594.27905	11.4
611.27728	1.4
625.30078	31.9
626.30145	5.7
635.27899	2.7
637.27612	2.6
669.29224	21.6
670.29480	6.1
687.28351	1.9
716.99774	1.6
722.25165	1.4
738.13501	1.5
749.66510	1.4
765.33105	2.8
766.34650	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25726	0.8
58.98577	0.8
59.01377	78.1
60.99308	1.0
61.98533	1.2
61.98829	12.7
63.38837	0.8
69.80379	4.2
71.01404	0.9
83.01385	1.6
85.02911	1.5
88.47475	0.9
88.98794	6.1
93.07080	0.9
97.75792	0.8
98.20152	2.1
99.00859	1.0
99.04515	39.9
101.06062	0.9
107.05038	1.6
131.05020	1.1
133.06586	1.2
135.04474	1.0
137.06035	1.6
147.04543	2.2
157.06532	1.4
161.09669	1.2
185.09656	2.3
199.07587	1.4
210.72752	0.8
213.09125	2.9
215.10945	1.6
267.14154	0.9
295.13431	1.2
307.18985	1.0
373.20193	1.6
409.19482	1.6
413.19412	1.0
427.21152	13.1
428.21378	1.5
451.21194	1.0
455.24347	0.9
457.22470	1.2
465.26489	1.4
469.22260	1.9
481.25879	1.8
493.22366	6.5
494.22815	1.0
497.24945	0.9
509.18558	1.5
509.25403	19.1
510.25519	3.4
511.23245	2.4
533.25171	1.3
537.21143	4.6
539.27142	2.4
541.28040	1.5
545.39441	1.0
551.26483	4.1
552.26520	1.1
553.24713	1.4
569.23810	1.0
587.25458	1.3
593.27643	11.8
594.27893	2.7
595.25391	2.9
607.26306	1.1
637.26489	100.0
638.26746	23.2
655.27472	1.9
663.33514	2.2
669.29089	29.8
670.29773	5.5
707.31226	1.1
729.31030	3.7
730.30743	1.1
765.31183	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.1
58.81120	0.5
59.01380	23.3
61.98831	25.4
71.01379	4.9
72.99304	2.0
73.02944	1.1
75.00857	0.5
83.05008	0.5
84.02168	8.9
85.02959	5.4
87.00879	1.5
88.98840	0.7
89.02450	1.4
93.03465	0.7
95.01392	1.7
95.05026	0.6
95.28194	0.4
97.02977	1.1
99.00864	1.7
99.04500	0.9
101.02440	9.3
110.00069	0.5
111.04513	1.2
113.02457	8.8
115.04102	0.4
121.02950	1.5
123.04491	0.7
125.02407	0.5
127.04044	0.7
143.03505	1.1
147.04523	19.9
148.04897	0.7
152.18761	0.5
161.04544	1.7
193.05002	0.7
209.11853	1.5
229.09734	0.5
247.13599	0.7
261.14941	4.7
289.18094	1.1
307.19223	1.7
317.21085	0.8
379.22812	1.4
387.25363	0.8
395.25903	5.9
396.26306	0.6
397.13190	0.6
397.24042	0.5
413.26938	18.3
414.27414	1.4
415.14667	0.7
415.24561	1.0
437.26843	0.9
439.24713	4.1
443.27597	0.9
453.26541	0.6
455.28015	35.7
456.28354	4.6
457.25937	16.6
458.26361	1.7
471.27628	6.7
472.27670	0.7
481.25955	1.2
491.19217	4.5
499.27014	100.0
500.27359	12.8
513.28552	14.9
514.29041	1.2
517.27850	1.5
530.18683	0.5
541.28064	36.5
542.28339	4.9
553.28192	1.0
559.28998	1.7
571.28967	2.0
601.30170	1.3
661.32538	3.0
687.28296	0.6
705.31378	1.0
733.24878	8.1
734.25177	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	765.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43501	0.7
57.03444	2.9
59.01379	23.9
61.98830	74.5
63.80074	0.7
69.03435	1.4
70.89947	1.6
71.01378	7.8
72.99302	4.2
73.02943	1.4
81.03467	1.2
83.05039	2.8
83.29738	0.7
84.02164	4.4
85.02952	9.5
87.00867	1.8
88.98801	2.2
93.03465	2.5
95.01354	1.4
95.05029	1.8
96.96005	1.7
97.02943	2.7
98.20694	0.7
99.00875	9.5
99.04524	4.2
101.02439	46.5
103.05542	1.4
107.05025	1.2
108.04655	0.8
109.02933	1.5
111.04513	6.1
113.02444	6.1
116.92858	1.5
119.05032	2.9
121.02963	5.7
121.06605	2.3
123.04505	4.6
125.02402	2.7
127.03999	2.8
131.05028	0.8
135.04521	1.3
137.06061	1.6
139.04024	1.1
147.04517	100.0
148.04878	4.1
149.06113	2.4
151.04033	1.5
157.06577	0.9
161.04582	0.8
161.06026	1.2
161.09698	0.9
165.05539	2.1
167.03560	0.9
171.10216	1.0
175.04070	1.1
193.05066	4.7
209.11786	3.7
211.06047	2.2
227.12915	1.3
261.14999	2.0
289.18118	1.4
307.19241	1.4
364.51788	0.9
395.26071	1.5
397.13712	1.2
413.27005	5.3
439.24939	1.7
455.27899	8.9
456.28412	1.5
457.25885	4.7
471.27634	2.8
473.18106	1.6
491.19193	29.4
492.19778	2.9
499.26990	27.4
500.27454	3.4
513.28381	8.0
514.29004	1.1
521.18481	1.5
541.28046	19.3
542.28522	2.9
571.29034	1.2
581.26660	1.0
603.20923	1.1
687.28369	1.2
733.24951	50.4
734.25323	9.6
765.34747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03452	18.7
59.01365	2.0
61.98808	1.7
69.03452	3.0
70.26534	2.1
70.26881	1.5
71.01389	6.3
72.99323	7.5
73.02949	0.9
81.03444	2.0
83.05015	3.3
85.02958	9.2
87.00891	4.1
93.03482	4.0
95.01398	1.9
95.05017	3.7
97.02955	2.9
99.00881	14.4
99.04516	2.7
101.02445	100.0
102.02758	1.6
102.97833	0.8
103.05544	2.3
105.03413	0.8
106.93494	1.1
107.05011	2.4
109.02921	2.5
111.03868	0.8
111.04533	10.5
113.02446	2.7
119.05019	1.5
121.02935	5.6
121.06601	4.0
122.03768	0.9
123.04539	6.9
125.02469	4.7
127.04028	3.1
131.05051	1.5
135.04512	0.9
137.06062	2.6
139.03928	1.9
143.01006	0.9
147.04526	53.2
148.04837	1.8
149.06097	4.6
150.03220	0.9
151.03967	3.4
165.05594	4.2
167.03476	2.4
175.03926	1.5
176.04784	0.9
177.05464	1.5
185.06206	1.0
193.05022	8.2
194.05806	1.9
203.07001	0.9
211.06088	3.7
312.07294	0.8
421.96707	0.9
473.17892	1.6
513.17529	1.8
521.18060	1.7
539.19257	1.1
556.65002	0.9
557.20105	1.6
575.21466	1.6
603.20911	1.3
661.23358	1.1
687.23877	3.9
705.25269	2.6
733.25012	67.7
734.25336	12.6
742.08221	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87686	0.3
55.01868	0.7
57.03444	3.1
59.01108	0.5
59.01376	5.5
61.98830	13.7
68.99823	0.8
69.03457	1.5
71.01380	10.1
71.53587	0.6
72.99310	3.5
73.02925	0.6
75.00874	1.9
78.95914	0.4
79.05508	0.5
79.09383	0.4
81.03459	1.4
82.34978	0.3
83.01381	0.7
83.05042	2.1
85.02947	5.1
86.72595	0.3
87.00854	2.0
88.98804	1.6
89.02460	0.4
93.03455	2.4
95.01407	0.9
95.05031	3.2
96.95999	2.4
97.02411	0.3
97.02959	1.9
97.06618	0.4
99.00879	28.4
99.04510	2.3
101.02441	70.7
102.02774	1.3
103.00379	1.5
103.05538	1.4
107.05003	1.7
109.02933	2.0
111.04510	6.2
113.02460	1.8
114.05566	0.5
117.07130	0.5
119.05036	2.8
121.02953	6.1
121.06590	2.7
123.04520	4.4
125.02457	1.4
127.03989	1.1
131.05002	0.7
133.06586	0.8
134.03783	0.4
135.04520	1.3
137.02464	0.7
137.06110	1.1
139.03999	2.4
143.08681	0.5
147.04518	100.0
148.04855	4.8
149.02521	0.5
149.06061	3.8
150.03226	1.3
151.04033	2.3
153.01906	0.4
157.06587	1.0
159.04465	0.6
159.08130	0.5
161.06079	1.4
161.09726	0.4
165.05556	2.7
167.03461	1.8
169.10117	0.4
171.08122	0.4
175.03996	0.8
175.07716	0.6
176.04692	0.7
177.05548	1.1
177.09219	0.5
179.07095	0.8
185.09685	0.5
187.07581	0.5
187.11282	2.2
193.05055	4.4
194.05887	1.9
195.06592	0.6
199.07642	0.6
203.07170	1.1
205.08669	1.0
209.11882	1.1
211.06067	2.3
211.13548	0.5
223.06126	0.5
227.12965	0.3
230.80434	0.5
231.10249	1.0
240.60680	0.3
249.07819	0.4
279.12482	1.0
328.62363	0.4
355.00803	0.4
415.14398	0.4
429.15421	0.6
455.17142	0.7
473.18115	2.6
491.19202	33.9
492.19485	4.7
513.17566	0.5
521.18329	1.0
539.19342	0.5
556.26404	0.5
557.19507	0.6
566.06238	0.4
603.21057	1.1
705.32745	0.6
733.24976	27.4
734.25281	6.9
765.28992	0.6
766.34711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03450	18.0
57.88814	0.2
59.01373	3.7
59.48341	0.3
61.22008	0.3
61.98831	22.0
64.31931	0.3
67.01900	0.3
68.99839	0.3
69.03448	0.9
71.01384	5.0
72.99318	2.8
74.99625	0.3
75.00857	0.7
75.94771	0.3
80.02659	0.3
81.03458	0.6
83.01382	0.5
83.05045	1.2
85.02956	3.6
87.00875	1.8
87.80119	0.3
88.98819	0.6
93.03455	2.5
95.01382	0.4
95.05034	1.3
97.02966	1.3
97.06564	0.3
99.00880	12.6
99.04533	1.2
101.02444	100.0
102.02798	1.5
103.05538	1.2
106.04274	0.3
107.05040	1.4
108.02213	0.5
109.02949	1.4
111.04517	4.3
113.02462	0.6
115.00396	0.3
117.07085	0.5
118.93001	0.3
119.05022	1.5
119.44763	0.3
121.02963	4.2
121.06612	1.7
123.04524	3.5
125.02457	1.4
127.04030	1.2
129.07088	0.4
131.05025	0.6
133.02997	0.4
133.06610	0.4
134.03722	0.3
135.04570	1.5
137.02419	0.7
137.06093	1.2
139.04066	1.1
145.06621	0.5
147.04524	43.0
148.04875	1.9
149.06053	3.1
150.03235	0.6
151.04039	1.5
151.07700	0.4
153.05667	0.4
157.06595	0.5
159.08154	0.3
161.06050	1.7
165.05527	2.1
167.03551	0.8
167.07135	0.7
173.06099	0.5
175.04025	1.3
175.07634	0.4
176.04788	0.6
177.05553	1.7
179.07152	0.8
183.06555	0.3
185.09790	0.4
187.07567	0.7
193.05020	4.5
194.05775	2.8
195.06491	0.5
197.05884	0.4
199.07545	0.3
201.09203	0.4
203.07121	0.9
211.06104	2.7
215.07097	0.4
217.08736	0.4
225.09128	0.3
301.36356	0.3
332.74399	0.3
377.12924	0.4
407.15149	0.3
411.14539	0.5
419.15338	0.4
437.16071	1.1
473.18298	1.1
483.16837	0.6
491.19150	1.0
501.18051	0.4
513.17682	1.5
521.18243	0.4
529.20807	0.4
539.19507	1.1
557.20569	1.0
565.21802	0.3
575.21887	0.7
603.21478	0.4
620.74524	0.4
643.22424	0.4
669.24347	0.5
687.23358	1.5
705.25201	0.5
733.24988	13.6
734.25470	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	765.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
57.03450	18.9
58.03776	0.2
59.01384	1.4
61.98833	1.4
65.03954	0.3
67.01890	0.2
68.99814	0.5
69.03467	1.0
71.01382	6.4
72.99306	2.7
73.02942	0.4
75.00877	1.0
77.86575	0.2
79.05524	0.4
81.03461	1.2
83.01373	0.2
83.05029	1.5
85.02952	3.1
87.00871	1.6
93.03451	2.4
95.01374	0.4
95.05036	2.1
97.02958	1.5
97.06582	0.2
99.00885	18.4
99.04520	0.8
100.01149	0.2
101.02444	100.0
102.02782	2.0
103.00375	0.7
103.05534	1.5
105.03459	0.3
106.04243	0.2
107.05053	1.3
108.02152	0.5
109.02943	1.8
111.04523	3.7
113.02489	0.9
119.05019	1.4
121.02966	3.9
121.06606	2.2
121.12780	0.2
122.03764	0.3
123.04536	3.3
123.08180	0.4
125.02444	1.0
125.06108	0.2
127.04021	1.3
129.07069	0.3
131.05035	0.4
133.06604	0.8
134.03754	0.4
135.04532	1.4
135.08141	0.2
137.02460	1.0
137.06071	1.3
139.04016	1.5
143.05067	0.3
145.06581	0.4
147.04524	35.7
148.04881	1.3
149.02391	0.6
149.06079	3.2
150.03227	0.6
151.04034	1.8
153.01894	0.2
153.05606	0.4
155.08696	0.3
157.06613	0.4
159.04497	0.4
159.08105	0.3
161.06087	1.2
163.07664	0.3
164.04768	0.2
165.05598	1.7
167.03496	1.1
167.07124	0.5
171.08153	0.5
173.06113	0.5
175.04037	1.0
175.07639	0.4
176.04761	0.7
177.05582	1.5
179.07190	0.4
183.06660	0.3
185.06090	0.4
187.07626	0.7
187.11273	0.3
193.05058	4.4
194.05815	3.0
195.06580	0.4
197.06232	0.2
199.07603	0.3
201.09306	0.3
203.07144	1.0
205.08749	0.3
209.09814	0.2
211.06105	2.9
211.07866	0.2
214.06297	0.3
217.08673	0.4
219.06451	0.2
221.08192	0.2
225.09167	0.4
229.08554	0.5
231.10243	0.3
237.09142	0.3
243.10161	0.2
251.10797	0.2
275.09241	0.2
279.10257	0.3
349.14499	0.3
386.44977	0.2
390.68320	0.2
393.17355	0.3
411.14584	0.6
425.16028	0.5
437.16367	0.5
455.17197	0.7
473.18109	1.3
483.16571	0.4
491.19208	0.6
501.17657	0.5
511.19162	0.4
513.17749	1.2
520.59113	0.2
521.17694	0.2
529.20197	0.3
539.19183	1.4
541.18567	0.4
557.20239	1.1
575.21356	0.6
585.21600	0.3
603.21967	0.7
603.62183	0.2
643.21729	0.4
661.22729	0.4
669.23999	0.5
687.24298	2.1
705.25940	1.0
721.25372	0.3
733.25006	10.2
734.25208	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	763.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10804	0.8
61.98830	2.0
63.96230	1.1
71.01384	8.5
71.42100	1.0
72.99310	1.1
73.02953	1.0
77.42276	1.0
78.98586	6.3
79.95728	13.5
80.96516	71.6
85.02927	2.7
87.00853	4.1
94.98084	18.0
96.96030	1.5
97.02938	1.0
99.76955	1.2
99.92576	1.8
101.02438	2.9
105.11467	0.9
106.98101	1.7
116.92847	4.6
122.97575	2.8
125.02419	3.0
127.03989	1.2
134.97563	5.0
136.99117	2.1
143.25929	0.9
148.99146	5.0
152.98633	5.2
164.98619	12.6
206.99625	2.3
207.10278	1.1
214.02094	1.0
225.00740	23.5
225.11241	1.7
226.00977	1.2
255.23189	1.6
344.76910	0.9
507.15332	4.2
537.26819	1.5
763.39417	100.0
764.39740	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	17.9
59.01371	3.4
61.98839	1.5
69.03464	1.0
71.01382	6.3
72.99315	7.1
81.03462	1.1
83.05019	2.9
84.79887	0.8
85.02943	8.4
87.00891	3.3
93.03482	4.8
95.05030	3.4
97.02953	2.8
98.97536	0.9
99.00892	15.3
99.04519	2.1
100.55228	0.9
101.02447	100.0
102.02777	2.3
103.05542	1.3
107.05049	1.7
108.02169	1.0
109.02989	2.6
111.04537	11.2
113.02454	2.6
119.05019	2.9
121.02956	8.8
121.06582	2.8
123.04514	6.7
125.02447	3.2
127.03986	4.2
134.03804	1.1
135.04539	1.5
137.02434	1.2
137.06058	3.4
139.04013	2.3
147.04529	52.9
148.04793	1.6
149.06093	5.8
150.03230	1.9
151.03984	2.9
161.06055	2.0
165.05513	3.4
167.03499	3.4
167.07310	1.0
175.03972	1.6
177.05568	1.7
185.03058	0.9
193.05049	8.7
194.05740	2.0
203.07159	1.4
211.06107	5.6
211.13437	1.2
213.21071	1.0
230.78642	1.1
393.26611	0.9
513.17688	2.4
539.19269	1.4
575.21320	2.1
603.20740	2.4
687.24396	3.2
733.25037	72.1
734.25195	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	765.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03450	17.2
59.01381	36.1
60.01711	0.7
61.98832	43.2
68.99857	1.0
69.00283	0.8
69.03487	1.9
69.17305	8.9
71.01373	10.5
72.99314	4.7
73.02931	1.0
75.00871	4.6
79.05552	1.4
81.02199	1.2
81.03449	2.6
82.02976	2.0
83.01377	1.3
83.05015	2.5
85.02957	7.2
87.00870	3.8
88.98803	1.8
93.03456	3.7
95.05020	3.9
96.96014	3.5
97.02940	3.0
97.06615	0.9
98.95605	1.6
99.00882	25.2
99.04526	15.3
100.04861	1.1
101.02446	100.0
102.02793	1.5
107.05035	2.4
109.02944	2.9
109.06586	1.3
111.04501	6.5
113.02486	1.8
115.00368	1.0
115.92070	1.9
116.92896	0.9
119.05015	2.7
121.02963	16.3
121.06596	3.2
122.03829	1.0
123.04517	3.7
125.02428	2.5
125.06113	0.8
127.04014	1.7
131.05083	0.9
135.04514	2.4
137.06075	1.9
139.03992	2.7
145.06595	1.1
147.04532	60.3
148.04874	2.6
149.06097	6.2
150.03183	1.2
151.03973	1.9
159.08069	1.2
161.06139	1.8
165.05571	3.6
167.03459	1.2
168.06604	1.4
171.08116	1.1
175.03998	2.0
176.04680	0.9
177.05653	1.4
185.09698	0.8
193.05086	7.0
194.05768	3.6
195.06619	0.9
199.07639	1.8
203.07187	1.5
209.11641	1.7
211.06139	6.3
213.09135	1.8
225.09427	0.9
227.09459	1.3
243.10306	1.9
295.15424	1.1
419.18668	1.6
441.18390	0.9
455.17004	1.5
473.17886	1.4
491.19122	3.1
509.25208	1.1
513.17810	2.0
521.18518	1.0
539.19434	1.3
540.19202	0.9
575.21112	3.1
601.24054	3.5
619.25195	1.3
627.25714	5.1
628.26660	1.3
637.26465	1.9
641.31738	0.9
645.27063	1.8
667.29468	1.0
682.32043	5.1
683.32666	13.8
684.32172	1.7
687.26709	3.9
705.28528	2.5
733.24927	19.4
734.25751	2.5
747.35339	1.1
764.34637	1.1
765.36621	10.5
766.37354	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01694	1.2
60.99298	3.4
61.98832	28.2
69.71325	0.9
71.01351	2.7
83.01385	2.3
85.02952	3.0
88.98804	21.1
95.05073	1.1
96.95980	2.4
99.00846	2.5
99.04516	54.5
107.05080	1.1
109.06570	1.5
111.04548	1.3
116.92831	3.5
119.05000	1.1
121.02988	1.4
121.06666	1.2
140.54610	0.9
147.04532	3.6
161.06152	1.0
207.10175	1.9
209.11798	1.9
211.13387	3.4
215.10753	1.3
227.07289	1.4
241.08574	1.3
257.54584	1.0
337.18024	1.5
403.21103	1.4
455.21021	1.3
473.21652	2.2
509.25290	1.4
511.27155	1.8
525.24316	1.0
537.25006	5.1
539.22748	3.3
553.24463	3.3
555.25952	55.6
556.26129	9.4
569.27570	8.2
570.27679	1.6
571.25409	9.0
572.25580	1.4
589.27081	1.2
593.26904	1.3
597.27277	8.5
598.26636	1.8
621.27148	3.0
639.28137	22.0
640.28296	4.0
653.29590	4.5
671.30701	7.1
763.35248	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60109	1.3
57.03444	5.2
59.01377	100.0
60.33044	1.4
60.99314	1.4
61.98829	60.4
69.17408	14.4
69.80738	1.4
71.01376	5.8
72.99301	4.0
75.00864	1.9
80.96079	1.3
83.01380	2.7
83.05004	2.7
85.02952	3.2
87.00874	2.7
88.98803	11.5
89.02444	2.8
96.96008	8.0
97.02964	2.5
99.00874	4.9
99.04517	52.0
100.04845	1.6
101.02448	4.9
105.29898	1.4
106.93155	1.5
110.29153	1.4
111.04511	1.5
112.98627	1.4
116.92812	3.0
117.05562	4.2
121.02978	7.3
121.16077	1.5
147.04553	7.4
147.08052	1.5
161.06059	1.5
163.11299	2.3
171.10266	2.1
173.09657	2.1
181.12338	2.5
207.10289	8.8
209.11818	25.4
210.12152	1.7
211.13364	3.7
215.10670	2.1
225.11282	14.6
227.12970	3.4
403.21243	1.7
453.26407	2.1
461.13638	1.7
461.20096	5.9
509.25647	1.7
525.25256	1.9
537.25134	3.3
539.22943	2.5
553.24268	2.3
555.25928	42.6
556.26477	9.3
569.27454	9.2
570.27356	2.3
571.25476	12.0
572.25598	1.9
593.27960	2.7
595.29242	2.1
597.26630	7.6
611.28558	1.8
619.25348	4.8
639.28186	20.6
640.28174	3.6
649.26630	3.0
651.27850	3.3
653.31238	9.4
671.32245	9.6
672.32452	2.7
673.32275	2.1
709.29492	3.0
763.32611	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	763.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	59.6
60.01715	1.1
60.08460	0.9
60.99287	1.4
61.98831	100.0
63.99282	1.0
68.26261	0.8
69.03445	3.7
71.01389	4.1
72.99322	1.0
75.00877	1.7
80.09217	1.0
85.02949	4.1
88.98814	10.8
89.02426	1.2
96.96002	2.7
97.02953	10.9
99.00877	6.0
99.04526	11.0
99.92569	1.1
111.04561	1.7
115.04033	5.7
116.92863	6.8
120.14236	0.9
121.02971	4.1
147.04529	20.3
148.04832	1.4
194.17825	0.9
199.07614	2.7
209.11829	1.6
211.13344	1.7
227.07051	2.2
275.10455	0.9
357.20596	1.3
375.21915	1.5
457.22205	2.7
527.26471	2.0
571.67688	1.0
601.20825	0.9
603.29382	1.3
613.26697	1.3
631.29126	2.0
651.31720	1.4
657.30396	1.3
659.28821	4.7
675.30078	1.4
685.30011	5.8
695.30597	2.4
703.31256	21.9
704.31464	4.6
727.34082	5.4
728.33759	1.1
763.34167	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01722	1.0
60.99314	0.8
61.98826	6.1
62.08131	0.4
68.99810	0.4
69.14320	3.0
69.14747	1.2
71.01362	2.1
72.99310	2.8
73.02958	0.5
75.00861	3.0
81.03453	0.4
83.05029	0.8
83.97644	0.4
85.02944	6.3
87.00893	2.4
88.00420	0.7
88.98810	4.8
89.02415	0.9
93.03458	2.0
95.05016	1.1
97.02940	0.7
99.00887	6.3
99.04518	11.8
100.04866	0.6
101.02467	0.6
103.05558	0.9
107.05053	0.8
109.02975	1.0
111.04512	3.0
112.98632	0.5
113.02458	0.7
119.05038	1.4
121.02952	2.7
121.06617	1.0
123.04497	2.1
125.02452	1.0
127.04054	2.1
131.05116	0.5
135.04547	0.6
137.06143	1.1
139.04016	0.8
143.49274	0.4
147.04515	31.7
148.04840	1.3
149.06081	2.0
150.03232	0.6
151.04036	0.9
157.06572	0.6
161.06172	0.4
165.05637	1.4
167.03590	0.8
171.04503	0.5
171.08353	0.4
175.04068	0.4
187.07835	0.5
193.05006	2.3
194.05807	0.6
211.06129	1.4
213.09181	0.5
437.16608	0.4
455.17044	0.6
491.18887	2.5
501.45139	0.4
571.26855	0.9
577.20959	0.5
590.58948	0.4
603.22345	0.8
621.24207	0.9
627.26367	1.0
653.27728	0.8
667.25360	0.6
685.29773	1.2
703.31201	3.3
704.32153	1.2
731.27087	24.8
732.27295	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	763.334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01712	0.9
60.99335	0.6
61.97371	0.4
61.98829	13.6
63.99268	0.5
65.23222	0.5
69.03458	6.3
70.40889	0.5
71.01389	5.6
71.05035	0.7
72.99303	0.6
73.02944	1.0
75.00877	0.9
85.02941	3.3
85.13701	0.6
88.98811	2.7
96.96024	0.7
97.02950	23.3
98.03268	0.5
98.19951	1.6
98.20601	1.3
99.00880	14.5
99.04510	0.8
101.02435	1.0
101.06087	0.8
103.05546	0.6
107.05001	0.6
111.04473	0.7
115.04013	12.6
115.04787	0.8
116.92880	2.0
119.05056	1.6
121.02973	0.6
131.62534	0.6
135.04570	1.1
135.08223	0.6
137.11688	0.6
147.04517	42.2
147.08182	1.1
148.04828	1.2
155.08597	1.0
157.06538	0.6
161.09637	0.6
173.06113	0.9
175.07700	0.6
183.08183	1.2
185.09789	0.6
188.34372	0.5
189.09213	1.1
197.09808	0.6
197.68550	0.5
199.07614	6.9
200.08357	0.8
201.09236	1.3
217.08734	1.7
218.09445	0.7
225.09241	1.1
227.07106	3.9
243.10263	1.1
313.60516	0.6
357.20520	3.3
373.19955	0.6
375.21799	6.8
401.19699	0.9
403.21426	2.4
413.19980	0.9
447.24182	1.0
455.20496	0.7
457.22369	4.7
487.25119	1.2
505.26337	1.3
559.26508	0.8
577.28455	0.7
585.28058	0.7
587.26990	1.6
603.29797	3.3
613.28137	1.6
631.29193	4.5
632.29889	1.1
641.28308	1.0
657.30756	2.2
658.31366	0.7
659.28638	13.9
660.28906	3.7
667.29187	2.7
675.31805	1.4
685.30157	13.2
686.31116	2.4
703.31201	37.4
704.31445	10.1
704.41833	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.4
61.98824	0.3
71.01373	1.3
71.54195	0.3
73.02950	0.7
79.95726	4.9
85.02955	1.2
89.02451	0.6
96.96011	75.7
97.95952	0.7
98.20406	0.2
98.95594	3.4
98.96392	0.3
99.04530	0.3
101.02437	0.9
103.04016	1.3
111.99220	0.2
113.02454	0.5
122.73369	0.2
134.03726	0.7
150.03198	0.3
161.13329	0.2
165.05504	0.4
178.02710	0.3
182.66913	0.2
187.11253	0.5
193.05069	1.3
194.05612	0.3
197.09674	0.2
205.12335	0.4
224.72351	0.2
249.11330	0.5
265.09372	1.5
289.11142	100.0
290.11469	10.8
291.10849	5.3
292.10941	0.5
300.02908	0.3
305.10974	0.3
305.45615	0.2
380.26593	0.3
453.21176	0.6
454.66626	0.2
497.20328	0.6
609.14606	0.5
719.27637	2.1
720.29358	0.3
763.20471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.313
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52163	0.7
59.01391	1.4
61.98834	9.7
64.40634	0.7
68.99570	27.3
69.41761	5.4
71.01392	0.8
71.66885	0.6
101.03970	1.7
103.05552	1.2
105.07051	0.8
112.98568	29.8
115.05540	0.8
117.07124	1.0
119.05034	2.4
121.06582	0.9
123.04528	0.8
130.04179	0.9
131.05031	6.3
133.06584	5.5
141.07120	3.1
145.06607	1.2
145.26248	0.7
147.04521	100.0
148.04858	3.4
149.06110	1.0
157.06616	1.3
159.08125	0.8
161.06085	11.9
161.09720	1.1
171.04536	5.9
171.10300	0.7
173.06071	1.1
173.09743	0.9
183.04561	1.1
184.05276	1.7
191.08734	4.5
191.10164	0.8
205.10271	0.9
206.29469	0.8
213.09224	2.2
231.08159	1.3
233.09685	5.3
249.09184	1.3
259.07596	3.3
259.10153	0.7
277.08707	2.9
343.65912	0.9
353.17499	1.0
409.20303	0.8
427.21091	2.8
448.27667	1.0
467.01572	0.9
489.09573	0.7
526.40857	0.7
539.24707	1.8
557.25330	2.4
643.30219	2.6
666.22687	1.4
677.31616	1.5
678.31555	0.9
687.29517	20.3
688.29889	5.2
719.32312	18.4
720.32782	3.5
731.28833	1.2
763.31140	46.6
764.31689	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	763.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	69.4
59.02988	0.8
60.01699	0.9
61.98539	1.3
61.98829	18.6
63.90633	0.8
64.63023	0.9
68.99813	1.8
70.95895	0.9
71.01366	3.3
71.44908	0.9
73.02923	1.3
79.05518	1.1
81.03447	1.0
83.05031	1.2
85.02948	1.7
87.00868	1.0
93.03478	1.2
98.00090	4.9
98.20265	1.5
99.00871	2.1
99.04518	6.1
99.47350	0.9
101.02414	2.0
101.03955	1.4
103.05546	1.4
105.01932	1.0
113.02463	1.3
115.05533	10.3
119.04995	2.4
121.02932	1.6
125.02433	1.1
133.06625	1.2
137.06107	1.3
141.07097	6.3
143.05029	7.3
145.06558	1.7
147.04523	100.0
148.04831	3.3
149.05997	1.1
155.08701	1.4
157.06595	4.4
161.04509	1.1
167.08585	1.0
171.04475	1.7
183.04478	3.8
184.05296	10.6
185.05981	3.0
191.08659	1.4
211.07660	0.9
218.11009	1.3
233.09653	1.2
243.69481	0.8
259.07794	1.0
291.13852	1.1
299.14432	1.3
543.23920	2.7
623.66589	0.9
638.28204	1.0
643.30762	12.3
644.30524	2.1
659.30316	3.0
675.33148	10.9
676.33472	2.2
687.29553	12.8
688.29443	3.7
719.32196	8.0
720.32190	2.5
731.27484	13.7
732.28168	2.9
742.83716	0.9
763.31140	35.7
764.31750	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	763.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78237	0.4
55.44636	0.4
59.01379	100.0
60.01721	1.5
60.99308	1.3
61.98828	10.4
68.67197	0.4
68.98508	0.5
69.03459	0.7
71.01385	2.9
71.53255	0.6
72.99297	3.2
73.02974	0.6
75.00881	2.2
75.97485	0.4
76.83034	0.5
81.03491	0.5
83.01410	0.6
83.05044	1.5
85.02952	7.3
85.03461	0.5
86.03320	0.4
87.00874	3.5
88.00417	0.9
88.98798	5.8
89.02470	1.3
93.03473	1.7
93.41029	0.5
95.05064	1.2
97.00695	0.4
97.02962	1.0
98.20308	0.6
99.00877	7.3
99.04516	16.1
101.02439	1.0
106.04265	0.6
107.05045	1.0
109.03004	0.9
111.04519	4.2
113.02469	0.9
119.05000	1.0
121.02982	2.3
121.06607	1.0
123.04485	2.6
125.02435	1.3
127.04028	1.4
130.22079	0.5
131.05090	0.5
131.55598	0.5
135.04536	1.1
137.06116	1.6
139.03923	0.5
141.01857	0.5
147.04517	35.5
148.04886	1.3
149.06073	1.9
150.03227	0.6
151.04079	1.1
165.05595	1.6
167.03560	0.9
171.04492	1.0
175.07602	0.6
193.05052	2.6
194.05820	0.7
211.06233	1.7
278.43008	0.5
326.99091	0.4
453.64499	0.5
473.18417	1.6
474.18033	0.5
491.19302	3.3
519.20477	0.8
532.31696	0.5
534.34723	0.5
571.27045	1.1
585.21484	0.7
603.23199	0.6
621.23981	1.2
627.26227	0.7
653.27728	0.8
667.24933	0.8
685.28009	1.6
703.31122	3.7
704.31055	0.7
731.27069	32.2
732.27545	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	763.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.3
57.03438	0.3
59.01377	3.4
61.98827	4.6
68.99819	0.7
69.03456	0.9
71.01386	7.7
72.99307	2.2
75.00876	1.2
79.05509	0.6
81.03442	0.8
83.01397	0.5
83.05017	1.7
85.02950	3.2
87.00882	1.3
88.98812	0.4
93.03439	2.1
95.05022	2.2
97.02950	1.9
97.06586	0.3
99.00883	18.6
99.04518	19.2
100.01255	0.4
100.04847	0.5
101.02445	0.7
103.00374	1.3
103.05545	2.3
107.05035	1.6
108.02213	0.7
109.02933	2.0
111.04529	4.4
113.02463	0.9
114.42248	0.4
115.00375	0.6
119.05029	2.6
121.02950	4.0
121.06602	2.4
122.03725	0.4
123.04523	2.9
125.02451	1.6
127.04042	1.1
131.04984	0.6
133.06577	0.4
134.03712	0.5
135.04541	1.3
137.02457	0.9
137.06059	1.4
139.04013	1.2
145.06630	0.4
147.04524	100.0
148.04860	4.2
149.02438	0.7
149.06073	3.1
150.03230	0.9
151.03986	2.0
151.07664	0.4
153.05580	0.4
157.06595	0.6
159.04526	0.5
161.06105	1.2
165.05571	2.2
167.03514	1.0
167.07161	1.0
173.06099	0.4
175.03957	0.9
175.07686	0.5
176.04845	0.8
177.05579	1.9
179.07138	1.1
185.05995	0.4
185.09666	0.7
187.11319	0.7
189.09393	0.3
193.05043	3.9
194.05823	3.4
195.06578	0.5
199.07704	0.5
203.07117	0.7
205.08739	0.4
211.06050	3.0
217.08533	0.4
229.08714	0.6
229.21745	0.3
231.10240	0.4
283.09290	0.3
381.17139	0.4
389.14316	0.3
411.14468	0.9
425.16141	0.9
429.15466	0.5
437.16284	1.1
442.75845	0.3
455.17249	1.0
473.17987	2.7
474.17899	0.4
481.18719	0.4
483.21167	0.3
491.19177	3.9
492.19571	0.7
519.20264	0.7
559.19916	1.5
577.21338	0.6
585.21088	1.1
603.22455	2.9
604.22919	0.5
621.22931	1.7
641.24121	0.5
659.25562	0.5
667.25311	1.0
685.26178	1.8
703.27625	0.9
731.27112	14.6
732.27637	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	763.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.5
61.98540	0.4
61.98833	5.5
65.03937	0.3
68.99825	0.7
69.03457	1.0
69.80033	0.3
71.01378	7.6
72.01714	0.3
72.99312	2.8
75.00879	1.7
75.81423	0.3
79.05531	0.6
81.03463	0.9
83.01383	0.4
83.05017	1.6
85.02953	3.2
87.00864	1.5
88.98808	0.8
90.98573	0.2
93.03456	2.7
95.01387	0.4
95.05028	2.4
97.02954	1.5
97.06584	0.4
98.19872	0.7
99.00204	0.3
99.00880	20.5
99.04518	21.3
100.04841	0.7
101.02425	0.6
101.54581	0.3
103.00378	1.2
103.05537	1.6
105.03474	0.4
106.04228	0.4
107.05058	1.6
108.02186	0.7
109.02943	1.5
109.06601	0.4
111.04527	4.2
113.02455	0.7
114.25542	0.3
115.00356	0.5
119.05022	2.1
121.02946	4.0
121.06579	2.2
123.04524	3.6
125.02451	1.5
127.04008	1.5
131.05016	0.5
133.06564	0.7
134.03708	0.6
135.04515	1.2
137.02443	1.3
137.06056	1.4
139.04007	1.3
143.04970	0.4
145.06477	0.5
147.04517	100.0
148.04840	4.6
149.02414	0.5
149.06079	3.0
150.03217	0.7
151.04036	2.4
151.07706	0.4
153.05583	0.4
157.06554	0.4
159.04465	0.5
161.06038	1.4
162.60545	0.3
163.04065	0.4
165.05574	1.8
167.03467	1.1
167.07112	0.5
170.07338	0.4
171.08090	0.4
173.06056	0.3
175.04013	1.1
175.07530	0.5
176.04761	0.6
177.05547	1.9
179.07101	0.3
181.05046	0.4
185.06056	0.7
185.09773	0.6
187.07610	0.5
187.11319	0.7
193.05042	4.3
194.05829	2.6
195.06670	0.5
202.06427	0.3
203.07074	1.0
211.06067	2.4
211.07726	0.3
214.06308	0.3
217.08609	0.4
225.09160	0.3
231.10252	0.3
245.08267	0.3
261.07471	0.5
271.09888	0.3
279.12607	0.4
323.09042	0.4
385.12811	0.3
407.14810	0.4
411.14426	0.8
425.15854	0.8
429.15170	0.5
437.15961	0.7
438.91397	0.3
455.17285	1.0
473.18106	2.5
474.18500	0.3
475.72556	0.3
481.18506	0.3
485.19281	0.4
491.19202	3.6
492.19553	0.4
519.20190	0.7
528.05579	0.3
555.21570	0.5
559.20026	1.1
577.20801	1.0
578.96582	0.3
585.21112	1.6
603.22266	2.8
604.23126	0.6
621.23730	1.8
622.24188	0.4
641.24072	0.6
659.25208	1.1
667.25531	1.1
685.26501	1.9
686.26764	0.4
703.27478	0.5
731.27032	15.6
732.27570	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	762.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
61.98830	100.0
62.98549	0.2
65.10648	0.1
68.06075	0.1
71.01395	0.4
75.63827	0.1
79.04202	0.1
84.52159	0.1
85.16444	0.1
87.00903	0.2
88.98823	0.4
89.02447	0.3
99.00909	0.1
99.04534	0.4
100.51299	0.1
121.02917	0.2
147.04559	0.7
157.34138	0.1
171.10292	0.2
253.32547	0.1
618.28052	0.1
731.26904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.2
61.98819	3.0
67.92723	1.0
68.72965	1.0
69.73588	1.1
71.01378	7.2
71.51659	1.4
71.52021	1.5
73.02948	1.4
74.19122	1.0
78.95873	1.1
78.98589	6.7
79.95747	12.5
80.96520	79.4
85.02942	3.9
87.00875	3.6
94.98093	16.6
97.02959	1.7
99.00880	1.3
101.02464	1.8
106.98065	3.9
111.21942	0.9
116.92850	6.9
122.97569	3.6
125.02399	2.6
133.96985	1.0
134.97609	5.7
135.03030	1.2
136.99115	1.7
148.99200	6.5
152.98616	6.6
164.98627	12.2
189.91251	1.0
201.08376	1.3
206.99701	3.8
209.11795	10.2
225.00734	21.2
255.23309	18.9
256.23651	1.8
331.85416	1.1
505.17465	3.1
537.27032	1.4
552.19684	1.2
761.41504	100.0
762.42004	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	761.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.3
69.35716	1.5
71.01380	0.5
72.99303	0.2
73.02972	0.3
75.81756	0.2
77.15971	0.2
83.01368	0.3
85.02950	0.7
93.03467	0.6
98.19859	0.3
101.02476	0.4
109.03001	0.3
111.00878	0.3
119.04978	0.3
121.02950	0.9
123.20299	0.2
129.01874	0.3
133.02946	1.0
134.03737	39.7
135.04059	1.4
137.02446	6.7
138.02805	0.2
139.04024	2.1
146.05754	0.2
147.02826	0.2
149.02426	0.3
149.06076	14.6
150.03206	0.7
150.06439	0.5
165.01845	0.2
175.03938	0.2
176.01901	0.2
178.02705	27.8
179.03027	1.3
191.01935	0.2
191.03613	0.2
191.05574	0.6
191.93687	0.2
193.05045	100.0
194.05385	5.3
203.03531	0.3
209.03012	0.2
235.06180	0.2
319.13876	0.5
327.81778	0.2
355.10309	26.0
356.10690	2.6
361.14938	0.6
404.15051	0.2
405.21204	0.6
674.34167	0.2
730.92554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88288	0.2
57.03448	0.4
59.01376	3.5
61.16212	0.2
69.54108	0.8
69.54517	0.3
71.01387	0.7
85.02954	0.6
89.02447	0.2
93.03474	0.3
96.96066	0.2
101.02464	0.6
106.04259	0.3
109.02940	0.3
111.00886	0.3
116.92827	0.2
121.02959	1.1
129.01944	0.3
133.02925	0.9
134.03737	40.3
135.04041	1.2
137.02440	6.1
138.02812	0.2
139.04008	2.1
147.03017	0.3
149.02458	0.4
149.06070	14.8
150.03226	0.8
150.06390	0.6
169.20209	0.2
178.02702	28.0
179.03020	1.2
191.05614	0.5
193.05043	100.0
194.05383	4.7
195.05283	0.2
203.03535	0.4
235.06050	0.2
248.28349	0.2
251.05653	0.3
319.13998	0.5
341.86093	0.2
355.10306	25.3
356.10715	2.3
361.14999	0.8
405.21210	0.8
579.13000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
68.99586	28.6
71.53159	21.1
78.95913	35.7
108.70592	14.2
112.98563	24.7
130.74841	13.8
154.22916	11.0
169.71013	12.7
209.11786	42.5
227.12836	19.4
253.21783	31.3
277.21625	46.3
340.93338	13.5
428.38110	13.9
759.39838	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	760.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.1
60.99321	0.2
61.98830	100.0
63.99265	0.3
71.01389	0.4
71.52908	0.2
72.99303	0.2
75.00867	0.3
85.02955	0.6
86.57450	0.2
87.00900	0.2
88.98813	0.7
96.96004	0.5
99.04528	1.7
101.02425	0.2
113.02431	0.2
115.16518	0.2
116.92885	0.2
121.02943	1.9
147.04527	0.8
194.55827	0.2
197.11922	0.2
209.11819	0.4
372.17517	0.2
449.20877	0.2
533.25427	0.3
554.82916	0.2
567.26361	0.5
593.27380	0.9
668.32428	0.2
684.29382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01721	0.9
60.30562	0.3
61.98829	5.7
64.81457	0.2
67.52827	0.2
68.99568	5.7
69.27383	0.3
69.27776	1.9
78.95920	0.6
99.04533	0.8
101.60516	0.3
112.98574	5.0
112.99303	0.4
139.85362	0.3
147.31592	0.3
155.88931	0.3
201.11301	1.4
202.11763	0.4
207.10329	0.3
218.68723	0.3
225.11240	0.5
252.58070	0.3
252.86479	0.3
253.43883	0.3
274.73795	0.3
274.77444	0.3
277.21741	0.5
278.22006	0.6
307.64166	0.3
311.56635	0.3
571.68774	0.3
667.29187	0.6
699.31915	1.6
700.32367	0.3
749.41284	0.3
758.45087	0.7
759.44336	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	759.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.8
60.69705	2.8
61.98826	45.5
71.01399	15.1
78.95897	5.8
81.86023	2.6
98.20698	5.4
115.08755	2.5
171.10278	12.0
209.11823	100.0
210.12190	6.8
227.12799	24.0
253.09302	8.9
277.21710	63.6
278.22037	5.2
279.22934	4.7
445.20670	7.0
701.75323	3.1
703.73169	2.6
749.49255	3.5
759.41119	33.3
760.41241	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	759.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38556	17.3
61.98840	78.0
68.99572	46.0
70.35265	48.2
71.84302	15.3
78.95904	49.6
97.16126	13.9
112.62131	15.8
112.98525	18.0
152.99605	17.3
157.12601	17.1
178.10628	14.2
209.11795	100.0
225.11182	19.6
227.12849	37.8
234.31880	16.1
277.21686	87.7
344.91293	16.8
463.21994	22.5
485.65842	16.2
494.96677	17.4
743.65009	19.8
759.41217	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96678	0.4
58.00940	0.5
59.01382	100.0
60.01706	0.7
61.98832	10.5
63.39007	0.5
71.01407	1.3
71.52940	0.6
71.53347	0.6
72.99290	0.6
73.02937	0.8
75.00906	0.5
83.01414	2.1
83.05033	1.1
85.02965	1.8
88.98832	0.8
96.96032	1.5
99.00879	0.7
99.04520	26.0
100.04849	0.8
101.02443	1.2
111.00897	1.8
117.92861	0.5
121.02972	2.5
131.05121	0.9
147.04561	2.9
151.11308	1.3
154.99849	1.0
159.08163	0.9
169.12343	5.4
171.10321	1.5
177.01987	0.9
183.08170	0.6
185.09801	0.9
209.11893	0.6
211.07834	1.0
211.13493	1.6
213.09207	0.7
213.11183	0.7
228.07962	0.6
229.08781	0.8
243.10287	1.8
280.63858	0.5
327.21799	1.0
397.20401	0.6
425.19962	0.7
457.22299	2.8
458.22882	0.6
479.25034	0.8
507.24222	1.9
539.26581	13.3
539.34375	0.9
540.27454	1.5
541.24396	0.8
547.27301	0.5
549.25446	1.1
551.23035	2.6
551.33130	0.5
557.27753	0.9
563.26630	1.4
567.21869	2.5
569.24005	1.5
571.29462	0.6
575.23322	0.7
581.28088	2.0
582.28632	0.7
583.25720	0.8
585.24231	0.9
591.26093	2.1
593.24524	1.3
609.26770	0.6
623.28528	11.8
624.29498	1.8
635.25128	9.5
636.26050	1.8
643.28558	0.7
655.31744	1.6
656.31152	0.7
667.27661	32.9
668.27960	6.1
681.33368	0.9
683.31256	0.9
688.17712	0.9
759.42462	6.4
760.43140	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.5
57.55540	0.4
59.01381	100.0
60.01716	0.5
61.98835	10.3
71.01398	1.2
71.52855	0.4
71.53258	0.4
72.99306	0.5
73.02954	0.7
80.76409	0.4
83.01397	1.9
83.05028	0.7
85.02975	1.5
87.00922	0.4
88.98827	0.9
96.96025	1.4
99.00870	0.6
99.04524	25.1
100.04887	0.7
101.02454	0.5
111.00901	1.7
111.04543	0.7
113.02461	0.6
116.92880	1.1
117.92836	0.5
119.05139	0.4
121.02956	4.8
121.06680	0.5
125.02486	0.7
125.06136	0.5
131.05099	0.4
147.04535	2.3
151.11288	1.0
154.99855	1.0
159.08211	0.7
163.07651	0.4
169.12331	3.9
171.10297	0.9
177.01952	1.1
183.08185	0.9
209.11842	1.0
211.07660	0.6
211.13435	1.7
229.08862	0.6
229.14474	0.6
243.10358	1.2
253.09212	0.4
296.52408	0.4
307.98868	0.5
327.21918	0.8
373.20303	0.5
403.19501	0.5
425.20007	1.1
455.24615	0.5
457.22333	3.2
458.22702	0.5
463.21420	0.4
479.24860	1.2
497.38126	0.5
503.24368	0.6
507.24826	1.0
521.25787	0.7
535.23431	0.5
539.26538	13.1
539.34363	0.8
540.27118	1.7
541.24878	0.6
547.26923	0.8
549.25226	0.8
551.22784	2.4
557.27460	0.7
563.26892	1.3
567.21881	2.6
571.28973	0.9
575.22906	0.6
581.27966	1.5
583.25464	0.8
585.23730	0.7
591.26208	2.2
593.24298	1.6
599.29065	0.8
607.26172	1.2
609.26898	0.7
623.28552	10.7
623.38306	0.7
624.29370	1.8
635.24963	10.3
636.25629	1.6
643.27740	1.0
655.31659	1.8
667.27594	32.1
668.27856	5.8
681.31732	1.4
683.30865	0.7
699.31476	0.6
715.41266	0.6
759.42377	5.7
760.42310	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43403	0.8
59.01373	5.3
61.98804	3.6
69.63160	4.4
71.01389	5.1
72.99319	1.0
79.95731	2.4
85.02927	1.8
89.02446	1.3
93.03425	3.1
95.05006	1.0
96.96012	51.1
98.95567	3.1
101.02403	2.3
108.02173	1.7
113.02408	3.0
119.04986	2.9
121.02926	3.3
122.03757	8.5
123.04527	11.4
124.01625	0.9
133.02892	1.5
134.03688	2.6
134.94427	0.7
135.04443	1.5
136.01654	2.2
146.03757	6.8
147.04442	3.4
148.05298	1.9
149.02434	12.3
149.06030	1.1
150.03227	59.1
151.04010	33.2
152.04286	1.4
157.45181	0.7
158.63148	0.7
161.02365	2.7
161.04619	1.0
161.05981	2.5
162.03166	1.7
163.04031	1.6
164.04823	7.4
165.05565	49.6
166.05869	2.5
167.10832	1.0
173.02428	1.2
177.05450	1.0
179.05531	1.3
179.07132	19.9
179.10681	1.1
180.04282	5.5
181.05066	15.7
182.05426	1.0
191.03526	5.7
191.07048	3.0
192.04149	1.4
193.05022	4.2
194.05768	2.0
195.05098	1.1
195.06644	13.3
205.05011	4.2
206.05748	2.1
207.06430	1.2
210.06911	1.0
220.07361	1.0
221.05936	1.8
234.05273	1.2
234.58838	1.0
235.05945	0.9
237.05473	2.6
238.04359	1.1
238.06458	1.9
250.06256	1.1
251.06908	2.2
253.04875	2.6
253.08585	1.8
254.05841	2.0
263.03412	2.2
263.07031	1.4
264.04184	1.7
265.05054	2.0
266.05600	1.1
267.02844	6.6
267.06171	1.5
268.07202	0.9
269.07932	2.4
271.06085	0.9
278.05673	1.4
279.06512	3.6
280.07349	2.2
281.04419	6.0
281.07623	1.6
282.05365	5.4
283.05768	1.3
289.11142	63.3
290.11520	8.6
291.11047	3.8
293.07968	1.9
294.05264	1.9
294.08578	1.6
295.05884	2.4
295.09601	3.2
296.06912	5.3
297.07693	10.2
298.08224	1.6
307.05991	1.3
308.06796	3.3
309.03909	1.7
309.07501	4.2
311.09204	4.8
312.09918	4.4
313.10629	1.2
322.04721	2.8
323.05414	2.8
324.06427	8.1
324.09811	1.9
325.03476	1.8
325.07086	2.1
326.11472	2.0
327.12177	3.7
336.06088	2.8
337.07050	11.1
338.03928	1.1
338.07642	3.6
339.05096	1.3
339.08759	13.0
340.05713	3.4
340.09109	1.9
341.06653	5.5
351.08749	4.4
352.09558	4.8
353.06619	15.4
353.10336	1.7
354.07208	3.9
354.10950	0.9
355.08121	9.7
356.08905	9.9
357.09457	1.0
362.97354	0.9
367.08038	2.7
368.08908	14.3
369.09732	8.1
370.10510	10.7
371.07043	1.2
371.11316	17.0
372.11676	1.0
379.08112	1.5
383.06802	1.2
383.11374	17.7
399.10785	6.0
400.11258	2.4
401.12378	6.9
413.12021	1.8
425.12515	4.4
443.12842	1.0
452.47903	1.1
460.15103	2.0
473.15521	0.8
475.17709	1.0
519.16254	3.6
531.16833	1.1
549.17609	4.8
553.20502	2.1
561.17230	1.1
567.18158	1.3
579.18011	1.3
591.19147	1.3
597.19739	100.0
598.10724	1.3
598.20074	21.1
623.98206	0.9
639.20972	12.6
640.20612	2.3
759.24725	30.4
760.24896	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	758.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49259	0.1
59.01379	1.8
61.36250	0.1
61.98828	100.0
62.98535	0.1
67.02029	0.1
81.98499	0.1
88.98820	0.2
99.04512	0.2
102.55852	0.1
121.02957	1.0
122.03323	0.2
147.04521	1.0
171.10326	0.2
185.11850	0.2
197.11882	0.1
209.11823	0.3
210.12170	0.1
211.13432	0.2
212.27341	0.1
319.72375	0.1
421.95615	0.1
496.77533	0.1
606.27698	0.1
758.40680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.8
60.01705	2.2
61.01806	1.5
61.98830	100.0
69.10017	0.2
71.52247	0.4
91.01201	0.2
98.20602	0.2
99.04527	0.4
103.58445	0.2
113.06916	0.2
129.02002	0.2
136.16228	0.2
171.10284	0.7
172.10573	0.3
235.86818	0.2
236.82602	0.3
249.15674	0.2
290.18509	0.2
307.19150	0.2
357.08777	0.2
417.42441	0.2
436.73737	0.2
530.88385	0.2
576.18542	0.2
616.31183	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46249	0.1
58.13060	0.1
59.01381	1.3
61.98830	100.0
62.98539	0.1
69.67785	0.6
71.01382	0.2
73.01183	0.1
73.02964	0.2
75.00858	0.1
81.74914	0.1
85.02980	0.2
88.98833	0.1
92.81188	0.1
96.96026	0.4
98.20644	0.1
99.04538	0.5
116.92896	0.1
121.02982	0.3
129.02017	0.1
147.04568	0.4
148.04823	0.2
164.89853	0.1
169.12387	0.2
171.10303	0.3
209.11955	0.2
211.13390	0.2
339.99899	0.1
503.21109	0.1
633.31183	0.2
666.30554	0.2
676.28668	0.2
677.31567	0.2
698.32837	0.2
722.36426	0.1
758.39685	0.2
759.41901	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89907	0.8
57.03433	0.7
58.70615	0.7
59.01376	22.2
60.99310	1.4
61.98832	6.5
71.01389	3.8
71.52097	0.8
71.52542	1.0
73.02927	2.2
77.74416	0.7
78.95900	3.9
84.95070	0.8
85.02943	1.1
87.00867	2.4
88.98822	6.2
89.02444	7.2
97.02939	1.1
97.06543	1.0
99.00857	2.7
101.02435	3.6
113.02439	2.0
117.32092	0.8
125.09742	4.0
127.11267	2.6
152.99564	2.2
155.10802	1.8
161.04558	1.8
163.11258	3.7
171.10275	1.4
176.94469	0.8
181.12335	7.8
199.13387	7.4
201.11307	36.6
202.11632	1.7
207.10278	7.4
217.14401	1.5
225.11313	14.7
226.11678	1.1
235.08313	3.9
243.12315	3.5
253.09270	6.4
277.21704	73.4
278.22061	6.8
293.21341	1.2
298.01932	0.9
391.63132	0.8
439.17505	0.8
721.41345	3.2
739.42834	6.9
740.43109	1.5
757.43750	100.0
758.44006	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	757.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99296	0.7
59.01382	24.7
60.99296	1.3
61.98830	6.0
66.79301	0.7
71.01372	5.2
71.05003	1.4
73.02940	1.1
78.95890	3.5
84.95123	1.8
85.02935	1.5
87.00868	2.5
88.98801	4.6
89.02453	5.0
93.23357	0.7
97.02926	1.1
99.00869	4.5
101.02432	3.8
104.30895	0.8
107.00201	0.7
109.06612	0.9
113.02444	2.1
125.09693	3.9
127.11273	2.5
145.05042	0.8
152.99516	1.8
155.10828	1.6
161.04532	2.6
163.11288	3.8
165.09129	1.1
169.23752	0.8
171.10236	1.6
173.93706	0.9
181.12393	6.3
199.09656	1.6
199.13377	6.5
201.11319	41.9
202.11659	1.8
207.10228	7.3
209.11809	0.9
225.11292	15.4
235.08205	3.7
243.12292	3.7
253.09312	5.8
261.13327	0.9
277.21713	75.0
278.22043	9.5
361.67130	1.1
461.20572	0.8
479.21011	1.0
494.17590	0.9
721.41785	4.8
722.40961	1.3
739.43030	5.2
740.42584	1.2
755.63959	0.9
757.43799	100.0
758.44049	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	757.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30588	0.9
59.01382	10.3
61.98830	11.2
68.42694	0.9
68.86699	1.0
70.82671	2.2
71.01382	100.0
72.01722	2.6
73.02942	2.3
78.70917	0.9
78.95908	7.3
83.05037	1.4
85.02962	1.7
87.00844	2.0
89.02458	3.7
97.02943	1.9
97.06598	0.9
99.00895	1.5
101.02483	4.6
109.06580	10.7
113.02452	3.0
114.86539	1.0
119.03497	1.1
125.09702	3.5
127.11320	2.2
135.08148	1.6
145.05153	1.0
152.99654	1.8
153.09195	1.2
155.10832	2.4
161.04575	2.0
163.11272	3.9
171.10265	98.7
172.10588	4.6
181.08835	1.5
181.12338	2.5
185.11845	1.2
197.11975	1.1
199.09766	25.8
199.13394	1.8
200.10091	1.1
201.11304	18.7
207.10239	27.2
208.10635	1.1
209.11911	1.0
225.11336	16.1
235.08241	1.5
243.12419	2.5
253.09218	12.4
277.21713	73.1
278.22089	7.1
435.18692	2.9
461.20416	5.9
504.84225	1.0
721.41766	3.9
722.42511	2.1
739.43683	1.3
757.43561	13.7
758.43988	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	757.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.2
57.03443	0.4
59.01377	6.8
61.98835	3.8
63.52878	0.4
68.99572	78.4
69.99912	1.5
70.27175	1.1
71.01382	100.0
72.01718	1.2
73.02950	1.8
78.95912	1.7
83.01420	0.7
83.05013	0.6
85.02949	1.1
87.00882	2.8
89.02449	2.6
95.01378	0.7
97.02966	1.1
97.06615	0.4
99.00893	1.4
101.02450	3.8
109.06624	3.4
112.98569	81.6
113.02444	2.2
113.98914	4.3
114.05611	0.6
114.93403	4.7
114.98998	1.9
115.00371	6.0
119.03495	0.9
125.06104	0.5
125.09737	1.7
127.11272	2.2
135.08153	1.0
137.09705	0.6
145.05084	0.7
152.99561	0.8
153.09181	0.8
155.10735	0.5
155.14157	0.4
161.04549	1.5
163.11354	2.1
171.10268	70.2
172.10573	4.0
179.05655	0.5
181.08745	0.8
181.12341	1.3
197.11943	1.0
199.09758	9.5
199.13379	0.7
200.10167	0.4
201.11320	6.9
207.10255	12.5
208.10605	0.8
209.11818	0.7
215.12878	0.9
225.11299	7.8
226.11633	0.6
235.08228	3.9
243.12318	1.0
253.09290	9.8
275.20047	0.7
277.21707	90.3
278.22070	8.8
293.21283	0.5
417.17603	0.6
435.18600	1.4
443.19211	0.9
461.20221	2.5
486.42929	0.4
555.19373	0.5
596.46802	0.4
663.23218	3.2
664.23401	0.7
695.39789	0.6
721.41656	2.6
722.41821	0.9
739.42548	0.6
757.22278	1.2
757.43323	6.2
758.44269	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90855	10.4
58.26396	12.7
59.01378	12.7
61.98831	100.0
70.66402	10.1
75.12428	9.5
78.95890	22.2
88.98823	28.5
98.20649	29.6
110.52570	14.1
135.93288	11.7
147.03023	15.3
152.99535	16.3
192.20480	12.1
225.11314	26.0
225.91501	12.7
277.21649	52.1
293.24573	13.9
757.39496	36.4
788.59210	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	16.0
61.98832	100.0
62.98542	0.5
68.99576	0.5
71.01384	4.2
72.57244	0.5
73.02957	1.2
75.00889	0.5
79.94037	0.5
81.02243	0.7
82.02962	0.8
85.02966	2.1
87.00880	1.1
88.98835	1.0
89.02457	1.2
96.96029	2.1
99.04528	5.0
99.92573	0.8
101.02456	1.5
103.92035	0.5
109.06554	0.5
111.04542	0.6
113.02474	1.3
116.92863	1.1
121.03017	1.2
135.04575	1.0
139.07729	0.5
147.04541	0.6
149.06081	1.4
150.05675	0.7
150.06850	8.5
151.07646	0.5
163.07681	3.6
164.08498	0.8
164.31360	0.5
171.10323	0.9
177.09262	0.6
178.09999	0.8
179.10783	2.3
209.11844	1.2
227.12669	0.5
329.23315	1.2
448.31818	0.8
449.32388	0.8
462.33444	0.9
463.33926	2.4
490.33099	1.5
508.34265	1.2
509.34872	5.1
510.35300	0.6
531.41400	0.7
609.40759	0.8
611.38318	0.8
671.41101	1.1
713.41150	49.5
714.41400	10.0
725.31415	0.6
757.32666	13.7
758.31671	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	757.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.7
59.01385	9.6
61.98834	6.3
69.28782	6.5
69.29170	1.5
71.01380	68.6
72.01693	0.9
73.02940	2.0
78.95893	2.3
83.01373	0.9
83.05001	1.0
85.02982	1.5
89.02436	2.5
90.28697	0.8
96.04660	0.7
97.02956	0.8
99.00851	1.4
101.02446	3.9
109.06604	4.2
113.02419	1.0
119.03504	0.7
124.24222	0.8
125.09769	0.8
127.11282	0.9
145.05066	1.6
153.09219	0.9
155.10773	1.0
161.04590	1.4
163.11264	2.3
169.12357	1.6
170.12672	0.9
171.10268	40.9
172.10579	2.2
179.10678	0.9
181.08737	1.0
181.12315	1.3
196.89427	0.8
199.09764	8.4
199.13303	0.9
201.11285	6.6
207.10237	11.3
225.11360	7.7
235.08209	6.3
243.12408	0.9
253.09227	9.0
277.21713	100.0
278.22055	9.7
292.71823	0.8
331.03278	0.7
331.56308	0.8
443.19095	0.9
461.19992	1.7
573.27795	0.9
695.40656	0.9
711.42950	0.8
721.41925	4.2
722.42120	1.5
739.42761	1.2
757.43396	7.5
758.44476	2.7
763.90393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.5
60.99314	0.9
61.98829	100.0
69.93296	0.8
71.01365	1.5
71.53893	1.2
71.54247	1.3
75.00858	1.6
77.40714	0.9
80.91677	1.0
80.96532	1.1
85.02946	2.2
87.00871	2.9
88.00397	1.0
88.98801	5.2
89.02488	1.4
96.96002	5.1
96.96934	1.1
99.04505	4.3
101.02438	1.0
113.02467	1.1
121.02945	5.6
143.69310	0.9
147.04510	3.1
162.86346	0.9
169.12354	1.1
171.10217	1.4
209.11795	8.7
211.13446	8.1
227.12866	1.9
253.09161	1.4
289.47351	1.0
327.21713	1.4
415.14481	1.0
445.20853	0.9
447.22525	1.2
621.78192	1.0
639.33752	2.1
713.41302	2.5
757.37836	9.4
758.37164	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	757.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	11.3
61.98574	10.5
61.98833	100.0
69.42144	81.8
78.95903	21.6
88.54639	12.2
89.02401	9.1
89.59222	10.9
91.39656	12.7
94.97405	11.4
126.82970	10.0
128.47276	11.4
148.01735	10.0
209.11902	12.8
225.11298	24.8
254.91286	10.9
277.21704	20.6
278.21851	10.8
279.23151	13.4
669.68292	10.8
721.41467	19.6
757.39307	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03439	1.6
59.01379	9.7
61.98826	6.8
69.49835	4.0
71.01379	5.9
72.99284	1.7
73.02940	1.4
78.95882	0.6
80.96520	1.2
83.05005	0.7
85.02951	3.3
87.00870	2.1
87.04465	0.6
88.98786	1.9
89.02420	2.1
90.67784	0.5
95.05005	0.6
96.95992	0.9
97.02956	0.9
97.06544	0.7
98.55082	0.6
99.04499	1.7
101.02426	3.6
102.02812	0.8
107.05055	0.6
111.04475	0.8
111.08165	0.8
113.02410	2.4
119.03513	4.1
121.06599	1.2
122.03761	0.6
123.04450	0.7
123.08151	0.9
125.02427	0.8
127.11282	0.8
128.03496	1.3
133.23294	0.6
135.04538	0.8
136.05296	30.7
137.06082	0.9
137.09723	1.2
147.04495	2.2
147.08182	1.3
148.05273	0.7
149.06078	4.3
149.30908	0.7
150.06862	4.5
155.10796	1.0
161.04608	0.6
161.13354	0.6
162.06847	0.9
163.07568	1.6
164.08408	2.6
165.09203	25.1
166.09502	1.4
179.10655	0.7
184.11049	0.7
207.10205	1.2
241.99477	0.6
242.28737	0.6
261.18423	0.7
270.47720	0.6
289.18146	0.9
292.16882	1.4
307.19055	4.0
336.19156	0.6
343.21179	5.6
344.21640	0.7
369.15427	0.8
445.29541	1.1
462.29459	0.8
463.30560	9.2
464.30484	1.3
491.30087	1.6
508.30362	2.5
509.31158	22.5
510.31708	3.7
651.39325	0.6
652.39740	1.3
653.40265	5.2
654.40314	0.8
670.40674	1.4
671.42072	2.9
713.37457	100.0
714.37811	19.6
757.34015	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	757.365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.3
60.99316	0.5
61.98829	6.2
68.87961	0.5
69.50122	2.7
71.01379	2.6
72.99300	1.3
73.02937	1.3
80.96470	0.5
83.58302	0.4
85.02943	1.7
87.00872	1.4
88.98810	3.6
89.02429	1.5
95.05019	0.5
96.95996	2.1
97.06597	0.6
98.20307	1.8
99.04536	1.0
101.02424	1.7
111.08123	1.4
113.02432	1.0
119.03487	0.9
121.06660	0.5
123.08129	1.8
135.04521	0.5
135.08154	0.7
136.05219	0.7
137.06078	0.6
141.09187	0.8
142.99702	0.5
149.06065	1.6
150.06859	29.4
151.07346	1.0
157.08630	1.0
161.09734	1.2
162.06857	1.0
163.07658	5.1
164.08412	6.5
165.09189	0.6
167.03487	0.5
170.09525	0.8
177.09155	0.9
178.09964	1.8
179.10773	14.9
180.11037	0.7
184.56102	0.4
187.09735	0.7
221.11598	0.7
243.12447	0.9
261.11423	0.5
269.86978	0.5
282.90311	0.4
285.16916	0.7
306.18335	1.4
321.20755	1.7
327.21759	1.8
329.19684	8.2
330.20023	0.9
350.20929	2.4
399.10672	0.5
430.27161	0.6
445.29446	1.8
448.28217	0.8
491.30066	2.8
492.30893	0.6
492.46838	0.5
508.30167	2.8
509.31161	24.0
510.31476	4.1
653.39807	1.1
670.42047	0.6
671.36292	1.7
695.36298	0.7
713.37494	100.0
714.37787	20.5
714.50690	0.7
757.32880	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	757.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42917	0.5
58.00599	1.6
59.01378	37.8
61.98830	87.5
62.15048	0.6
73.02960	1.9
74.31467	0.6
74.49538	0.6
79.05537	1.6
82.39975	0.6
83.05019	0.7
85.02955	0.8
93.89234	0.8
97.06599	1.5
98.20283	4.5
99.04538	2.5
103.05520	1.4
109.06605	0.8
119.05002	1.9
121.02946	4.4
121.06611	1.1
123.08184	0.9
129.01938	2.5
131.08696	3.2
133.10191	1.0
135.08142	1.3
145.06592	0.9
147.04518	37.6
147.08160	1.2
148.04861	2.2
159.08145	1.5
171.04549	0.7
171.10211	1.0
183.08070	0.8
184.05284	5.5
185.11789	3.8
197.11845	1.8
198.10272	0.7
198.12105	0.8
209.09691	1.9
209.11810	4.5
210.12149	1.8
211.11160	1.0
211.13390	1.0
225.09235	0.6
227.12915	1.2
253.09167	1.1
263.14297	2.9
309.20853	1.6
373.20178	1.2
503.24405	9.4
504.24832	1.3
509.24744	0.7
535.26483	1.2
541.22467	0.7
563.04254	0.8
583.23346	0.9
605.65228	0.7
615.25891	0.9
617.88696	0.7
647.28644	1.9
665.29633	100.0
666.29974	22.7
697.32190	15.0
698.32361	3.4
726.33063	1.4
757.40704	4.4
758.37854	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
59.01381	0.9
63.67047	0.2
69.91386	0.7
71.01379	1.3
73.02968	0.7
74.54887	0.2
80.14772	0.2
83.01402	0.1
85.02946	2.5
87.00887	0.2
89.02431	0.3
93.03477	0.4
99.00850	0.2
101.02446	0.6
103.04023	0.3
106.04247	0.5
109.02927	0.2
109.06574	0.2
111.00923	0.3
113.02457	0.6
119.05028	1.0
121.02953	0.7
133.02959	0.7
134.03740	49.0
135.04036	1.5
137.02449	4.0
138.06874	0.5
139.04025	1.3
139.07700	0.3
144.83511	0.1
147.03053	0.3
147.04515	0.3
149.06079	17.6
150.03220	0.4
150.06413	0.8
151.07651	0.7
153.05557	0.3
153.09200	3.2
159.03006	0.2
161.02509	0.3
161.04593	1.3
163.03967	1.0
165.01990	0.2
165.09279	0.8
177.02042	0.2
178.02710	18.1
179.03098	0.6
179.05542	0.2
191.01985	0.6
191.05609	6.2
192.05962	2.2
193.05045	100.0
194.05388	4.9
209.02994	0.6
221.11827	2.3
235.06032	0.5
238.92740	0.2
239.12895	4.3
240.13184	0.3
249.09879	0.2
308.11661	0.2
310.95337	0.2
325.09467	0.2
337.05627	0.2
337.15097	0.9
351.12781	0.2
353.08737	0.7
354.09055	0.7
355.10312	13.8
356.10721	1.0
399.09024	0.2
401.18048	0.4
499.10831	0.4
504.71570	0.2
757.29004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	6.2
59.01380	79.0
61.98831	60.2
64.03234	0.8
68.99812	1.6
71.01373	2.5
71.05030	0.9
72.99312	1.1
73.02945	7.9
79.05529	2.3
81.72454	0.8
83.05044	1.3
84.69220	1.0
85.02957	1.7
86.00109	1.9
87.00891	1.1
88.98767	1.2
95.05029	1.2
96.95982	1.2
96.96907	0.9
96.99328	1.6
99.00900	1.9
99.04525	3.1
116.92870	1.0
119.05006	1.6
121.02959	26.8
121.06655	1.1
125.02370	1.2
129.01091	1.5
129.01955	17.0
131.08644	1.7
135.08173	1.2
147.04529	38.8
147.08167	1.7
148.04842	2.0
159.08083	1.7
161.04515	5.8
169.12291	1.4
171.04497	1.0
184.05281	5.0
185.11690	1.0
189.99040	1.0
197.11806	1.4
203.07169	2.0
209.09831	1.8
209.11826	5.3
210.12158	3.3
211.13353	1.0
227.12878	1.0
253.09161	1.4
263.14450	1.8
271.02448	1.1
300.02795	1.1
309.20667	3.2
310.20929	1.5
327.21588	1.6
373.20126	3.2
463.22253	1.0
503.24405	16.6
504.25037	2.7
535.25763	1.6
647.27808	2.6
665.29633	100.0
666.29968	22.0
683.31030	1.9
697.32196	20.1
698.32813	5.3
757.28436	4.3
757.41132	3.3
758.31805	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13094	0.5
58.00590	6.6
59.01375	40.7
60.01698	0.8
61.98828	100.0
64.94139	0.6
68.36960	0.7
68.99793	0.8
69.91563	2.8
71.01382	2.0
72.99329	0.8
73.01167	4.7
73.02945	10.2
75.00848	1.1
76.58548	0.6
79.05537	1.4
83.05039	1.4
85.02940	0.8
86.00141	1.4
87.69070	0.7
88.98812	0.9
91.01547	0.6
96.96030	2.4
96.99319	1.1
99.00878	1.8
99.04543	0.9
101.02451	0.6
101.06072	0.8
109.06606	1.0
113.99617	2.1
116.92886	2.6
121.02946	4.9
129.01939	22.1
131.08635	0.6
147.04515	14.9
147.68939	0.6
161.04553	8.5
184.05299	2.2
197.11885	1.0
203.07141	2.8
209.09734	1.6
209.11823	3.3
210.12180	1.0
211.11383	0.9
211.13385	1.4
253.09122	1.0
309.20688	0.7
373.20114	3.9
503.24338	8.9
504.24701	2.0
535.26813	2.4
559.22943	0.6
605.26630	0.8
621.95026	0.7
665.29645	36.6
666.29980	9.1
697.32153	8.7
698.33014	1.6
757.41687	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.36
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51168	0.9
55.69455	0.8
56.33909	0.8
59.01379	25.9
61.98831	45.0
71.01376	3.1
75.00844	0.9
79.59676	0.8
81.02205	6.8
82.02975	7.9
85.02947	2.7
96.41048	1.0
96.96001	3.1
99.04523	36.7
100.04858	1.2
115.00405	1.6
116.92885	1.8
121.02969	3.2
124.07655	1.0
133.01395	1.2
147.04536	3.7
147.08131	1.4
150.05592	2.8
158.06076	2.3
159.06989	2.1
160.07684	0.9
163.40749	0.9
167.05853	3.1
168.06720	5.6
193.99216	1.0
203.14410	1.0
209.11801	3.3
225.11366	1.9
227.09494	7.2
245.10464	4.2
268.13336	1.0
295.15436	5.3
296.16125	0.9
337.16437	1.2
459.23843	1.3
471.23730	1.5
578.31818	1.0
597.30707	3.5
604.28540	2.0
622.30145	5.2
640.31281	12.1
641.31671	1.7
664.30713	2.5
680.16449	1.1
682.20374	1.4
682.32318	30.2
683.32727	5.4
706.31946	7.4
707.32788	1.0
713.41272	2.1
724.33350	100.0
725.33649	22.7
756.35522	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.3
58.69715	0.4
59.01380	5.8
62.83635	0.4
62.88140	0.4
65.00323	0.7
71.01374	1.4
72.44889	0.4
73.02929	0.9
76.62910	0.4
79.95742	0.9
82.64104	0.4
83.01396	0.7
85.02954	3.2
89.02469	0.5
96.96015	6.5
96.96623	0.7
98.20662	1.0
99.04513	0.6
101.02428	1.8
103.04016	1.4
107.01389	2.1
108.02192	0.9
109.02951	0.8
113.02370	0.7
114.01954	0.5
119.01500	0.4
121.02941	1.2
125.02387	0.8
126.41747	0.4
129.01942	9.2
130.23964	0.4
133.02939	1.2
135.00868	0.5
147.02989	8.5
148.01672	0.4
149.31378	0.4
151.00368	7.9
152.00806	0.4
163.00366	1.8
163.03995	0.9
177.01874	0.5
178.99832	3.3
199.03966	0.4
211.04039	0.7
226.02806	0.8
227.03482	1.6
229.04951	0.4
243.02997	4.7
245.04591	0.6
254.02138	1.4
255.02991	14.7
256.03336	1.2
271.02460	31.3
272.02936	2.8
273.04163	0.5
283.02411	0.8
293.06616	1.0
294.91589	0.5
299.02197	0.6
300.02740	70.2
301.03455	33.8
302.03888	2.7
305.10654	9.1
307.10367	1.7
391.16064	4.2
463.08795	100.0
464.09116	11.9
464.15790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00705	0.2
59.01377	5.7
59.83864	0.2
61.98827	100.0
63.10980	0.2
71.01389	1.0
72.99318	0.6
73.02954	0.3
75.00867	3.8
80.96527	0.2
84.14491	0.2
85.02943	1.6
87.04512	0.3
89.02435	0.5
96.96024	0.6
98.20296	1.2
99.04509	1.1
99.91329	0.2
101.02428	0.2
101.06120	0.2
113.02520	0.2
114.05582	0.2
121.02950	0.3
128.88017	0.2
137.06187	0.2
147.04543	0.8
150.06926	0.2
200.78960	0.2
209.11842	0.4
344.42273	0.2
371.09460	0.2
397.31979	0.2
491.19492	0.4
651.40234	0.2
652.40253	0.6
664.30603	0.2
669.40887	0.3
670.41248	0.5
680.28186	0.3
711.39819	0.2
712.40771	0.4
756.31360	0.8
763.17285	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30386	0.2
56.48451	0.2
59.01363	1.0
61.54904	0.2
61.98829	100.0
63.77176	0.2
69.34865	1.3
78.92219	0.2
96.96016	1.5
99.04508	0.5
113.08378	0.2
144.94511	0.2
149.06065	0.4
150.06871	2.5
151.07269	0.4
163.07680	0.5
164.08357	0.3
179.10776	0.8
446.30469	0.4
461.32968	0.2
462.32935	0.4
486.20532	0.2
489.32007	0.2
507.33301	0.7
508.33835	0.6
672.66406	0.2
682.32379	0.3
698.90521	0.2
711.39465	1.7
712.39874	4.3
713.40741	0.8
724.33527	1.1
756.33301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96988	0.1
59.01386	1.5
59.48233	0.1
61.98829	100.0
62.98541	0.2
63.99270	0.3
71.01402	0.2
73.01165	0.4
73.02959	0.2
75.00902	0.1
79.57911	0.1
83.05031	0.3
85.02953	0.6
87.74191	0.1
89.02432	0.2
95.05016	0.1
96.96001	0.7
98.20222	0.2
99.04546	0.2
101.02456	0.4
111.08152	0.1
116.92930	0.1
121.02966	0.4
135.04448	0.2
147.04553	0.3
147.84682	0.1
150.85982	0.1
160.01711	0.3
163.11307	0.1
164.54829	0.1
167.57558	0.1
171.10239	0.2
175.04039	0.4
189.18843	0.1
197.11864	0.2
209.11803	1.9
210.12148	0.7
211.13437	0.3
227.12938	0.4
253.09271	0.4
271.02423	0.2
291.19742	0.2
291.88464	0.1
297.83191	0.2
309.20776	0.6
310.21085	0.3
447.22406	0.2
515.40460	0.2
535.23206	0.2
671.28003	0.2
756.37140	0.2
757.26813	0.2
757.39197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.6
61.98824	26.9
65.79585	1.0
70.07534	4.3
71.01373	2.6
74.56750	1.0
78.95879	5.1
87.00874	1.3
89.02470	1.4
101.02429	2.2
115.63334	1.0
120.21638	1.0
123.00626	1.0
129.33456	1.2
151.11301	1.7
152.99600	2.6
153.70557	1.0
161.04633	1.3
169.12325	54.5
170.12643	2.4
171.10265	13.3
197.11879	1.3
209.11838	1.7
209.73613	1.0
232.15143	1.1
235.08165	2.5
253.09290	4.6
277.21704	100.0
278.22028	8.6
291.23187	1.4
401.95865	1.1
405.21167	1.7
415.20322	1.3
453.54456	1.0
513.30719	4.1
709.41510	10.1
710.42371	2.8
727.42957	10.7
728.42798	1.9
755.41815	8.2
756.42224	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	755.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
61.81436	0.5
61.98536	0.9
61.98826	11.0
68.60645	0.5
71.01389	3.1
71.52766	0.7
78.95891	3.0
80.02686	0.6
81.03475	0.6
83.05038	3.4
85.02941	0.9
87.00867	0.9
88.18098	0.4
89.02436	2.3
96.96984	0.5
101.02442	2.2
108.64991	0.5
112.14257	0.4
112.15212	0.5
113.02459	1.4
128.01579	0.4
152.99622	0.9
161.04520	1.0
163.09987	0.5
163.11302	2.1
165.12801	1.7
169.20547	0.5
171.10202	0.5
178.82019	0.5
209.11810	100.0
210.12143	7.2
227.12866	10.6
228.13168	0.6
235.08258	2.4
253.09242	7.5
254.09732	0.6
259.15451	0.7
277.21698	59.6
278.22028	5.7
308.74274	0.6
441.30637	0.5
445.20609	2.3
755.40991	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.3
61.98830	13.2
69.68137	4.3
71.01381	2.7
75.39725	0.7
78.95893	2.3
87.00887	1.0
88.98814	1.0
89.02428	1.4
101.02427	2.0
113.02455	1.2
115.90862	0.8
147.67804	0.7
150.41611	0.6
151.11284	3.0
152.15749	0.8
152.97418	0.7
152.99564	1.6
161.04561	1.9
169.12335	100.0
170.12659	4.9
171.10263	25.9
194.46288	0.8
209.11810	1.7
213.11345	2.2
235.08243	7.9
253.09261	7.0
277.21707	76.7
278.22092	7.2
293.21350	1.5
330.33713	0.8
405.21326	11.0
406.21548	1.3
407.19409	1.5
417.70673	0.8
430.42612	0.8
431.19278	1.8
449.20224	1.5
513.30780	1.9
667.40332	0.8
709.41699	15.8
710.41815	3.7
711.42780	1.1
727.42596	12.8
728.42828	3.0
755.41870	10.2
756.42810	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	755.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73409	0.2
54.78050	0.2
55.01862	0.3
57.03443	0.5
58.00602	0.4
59.01377	6.9
61.98828	6.5
67.01861	0.2
69.03452	0.9
71.01381	3.7
71.05021	0.5
72.99306	0.9
73.02934	0.8
75.00879	0.7
78.95898	0.2
80.02682	0.9
81.03445	1.5
83.01390	0.7
83.05025	4.1
84.02158	0.8
84.05374	0.2
85.02943	0.9
87.00879	0.7
89.02454	2.3
91.04015	0.3
91.07461	0.2
93.03445	0.4
95.01366	0.4
95.05042	1.0
97.02938	2.4
97.06574	0.7
98.20646	0.6
99.00865	1.2
99.04523	1.0
100.06299	0.2
101.02438	3.5
107.05006	0.2
109.06605	0.5
111.04557	0.5
111.08150	3.4
113.02459	1.4
116.92822	0.3
119.03486	0.8
120.39967	0.2
121.02955	4.4
123.04536	0.5
123.08088	0.3
125.02419	0.4
125.06062	0.4
125.09746	0.5
127.07628	0.4
135.08151	0.7
137.09723	0.7
141.09290	0.3
143.03540	0.4
145.05069	0.3
147.03391	0.3
147.04529	3.5
148.04852	0.3
151.11266	0.4
153.12793	0.6
161.04568	1.8
163.11276	4.4
165.12828	3.2
166.13100	0.2
169.12334	1.5
170.12633	0.2
171.10252	2.0
179.05605	0.5
181.12361	1.0
183.13988	0.5
185.11902	0.2
189.12901	0.3
191.10704	1.1
193.12297	0.5
193.16043	0.2
197.11823	16.4
198.12141	0.9
199.13364	1.7
207.10197	0.4
209.11815	100.0
210.12166	5.8
211.13385	4.6
212.13673	0.2
225.11266	0.9
227.12874	14.9
228.13135	0.9
229.07094	0.3
235.08211	3.3
247.20569	1.1
248.32321	0.3
253.09279	12.7
254.09680	0.4
263.20044	1.1
265.18027	0.6
273.18588	0.7
291.19656	18.8
292.19965	1.3
293.21094	0.9
309.20685	41.3
310.21039	3.5
325.19769	0.3
335.52750	0.2
380.74393	0.2
433.20242	0.3
445.20688	1.4
463.21558	0.4
501.32007	0.7
519.33179	0.3
527.28265	0.3
545.29675	0.6
677.39105	0.2
713.14001	0.2
755.42719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
57.03452	5.2
58.00578	1.8
59.01379	77.6
60.01733	1.6
60.99302	2.1
61.98830	41.7
69.03467	1.5
70.39503	1.4
70.39845	4.1
71.01379	47.9
72.99305	4.2
73.02946	12.8
74.73124	1.4
74.99084	2.9
75.00868	1.8
80.96516	4.1
82.22731	1.2
83.01368	7.0
85.02947	26.8
87.00882	6.6
88.98799	16.7
89.02444	17.1
95.01398	4.7
96.96014	4.1
97.02955	3.8
98.20622	1.4
99.00889	5.5
99.04509	2.5
101.02435	31.0
111.00915	2.6
113.02460	23.8
116.92865	2.6
119.03498	5.7
119.04996	1.3
121.02953	2.3
124.01596	2.1
125.02442	5.7
125.41978	1.5
128.03548	2.4
129.01889	1.5
133.01431	1.4
136.99149	2.2
143.03490	4.3
151.22404	1.2
159.02942	1.9
160.21480	1.5
161.02408	1.8
161.04544	5.3
163.11415	1.4
179.05623	1.8
209.11819	1.5
314.14975	1.3
345.30051	5.1
346.30499	1.4
489.34219	4.2
507.35620	6.9
508.35547	2.1
509.26944	1.4
635.38721	1.9
651.39508	100.0
652.39801	15.8
669.40594	59.1
670.40851	8.0
711.41925	34.0
712.41559	5.8
755.32129	8.3
756.32141	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	755.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.9
57.03443	5.0
58.00584	1.7
58.58059	0.7
59.01377	71.0
60.01715	1.3
61.98819	3.2
69.03436	1.0
69.26601	6.7
71.01379	46.2
72.99291	2.2
73.02951	12.1
75.00903	0.7
78.82577	0.9
80.14230	0.8
83.01389	7.6
85.02946	24.8
86.00093	1.4
87.00878	3.8
89.02437	15.8
95.01375	5.6
97.02937	2.2
99.00875	6.2
101.02442	31.0
111.00876	2.7
112.01667	1.7
113.02449	25.4
119.03500	3.2
124.01662	2.2
125.02445	5.6
125.03208	0.9
129.01904	1.0
142.02731	1.2
143.03479	3.7
143.10802	1.2
159.02946	2.8
161.04507	4.2
162.11740	0.8
299.25952	2.0
345.30002	6.8
387.30856	0.9
467.77924	0.9
489.34091	3.6
507.35507	6.5
647.44373	0.9
651.39569	100.0
652.30066	1.7
652.40021	20.2
669.40601	65.8
670.40979	11.2
708.32135	1.0
711.41711	43.7
712.41998	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	755.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18898	0.4
55.01881	1.0
56.07687	0.4
57.03442	1.5
58.00608	0.5
59.01377	16.3
61.98829	100.0
62.16892	0.4
69.03469	0.6
71.01380	9.1
72.99323	0.9
73.02945	1.8
80.96518	0.8
83.01388	1.2
85.02950	5.5
87.00880	2.0
89.02453	3.6
89.02985	0.6
95.01377	0.6
96.96012	6.0
98.20439	2.8
99.00914	0.9
99.04540	1.2
101.02443	4.6
101.06128	0.4
111.08158	1.2
113.02436	3.1
116.92828	0.7
119.03494	1.3
121.02931	0.4
124.77925	0.5
125.02387	0.9
135.04507	0.4
135.08102	0.6
143.03458	0.8
147.72731	0.4
149.06061	3.5
149.79680	0.4
150.06860	22.9
151.07225	1.0
153.09195	0.7
155.10847	0.4
157.08669	1.3
162.06895	0.8
163.07642	13.1
164.08412	3.7
171.10231	0.8
176.08395	1.3
177.09245	0.8
178.09946	2.5
179.10780	6.7
195.47816	0.5
225.96883	0.4
237.18794	0.5
241.14346	0.6
279.23260	1.1
281.33090	0.5
283.19067	1.0
300.68909	0.4
325.23682	2.2
327.21793	2.8
345.30054	0.6
443.31210	0.7
444.32312	1.7
445.32480	0.5
446.30359	5.0
447.30588	0.8
460.31873	4.3
461.32712	5.7
462.33072	1.2
471.27307	0.5
488.31442	5.7
489.32205	2.7
506.32443	6.5
507.33224	14.8
508.33652	1.8
627.93591	0.5
651.39587	17.2
652.39856	3.3
661.26599	0.5
669.40393	13.4
670.40790	2.5
711.39667	85.5
712.39996	21.0
755.33093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01709	1.0
61.98831	0.4
68.81523	0.1
70.52599	0.4
71.01383	0.1
99.04510	0.6
122.09579	0.1
202.42725	0.1
209.11913	0.4
227.10780	0.2
257.77231	0.2
291.19894	0.3
293.21262	0.2
315.99997	0.1
519.35175	0.2
521.25696	0.4
541.58832	0.1
553.28455	0.5
581.27466	0.8
599.29224	0.3
613.30151	1.5
614.30792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
59.01386	1.8
61.98830	100.0
70.28466	0.5
71.01376	0.8
71.08042	0.1
73.02947	0.5
75.00854	0.2
79.95751	0.2
80.96504	0.3
85.02962	0.5
87.00872	0.2
88.98848	0.2
89.02412	0.2
94.98111	0.2
96.96014	2.9
99.04512	0.6
99.92563	0.2
101.02426	0.4
109.06609	0.2
111.08160	0.2
116.92863	2.5
117.01945	0.4
121.02972	0.3
135.08165	0.3
136.05309	0.2
137.06190	0.2
147.04585	0.3
148.04872	0.2
149.06097	2.1
150.06862	12.7
151.07195	0.7
153.09215	0.2
157.08704	0.4
161.09770	0.2
162.06923	0.4
163.07642	3.4
164.08427	1.7
165.08792	0.2
169.12344	0.3
171.10313	0.3
176.08412	0.5
177.09155	0.3
178.09995	1.2
179.10777	3.8
180.11058	0.3
209.11818	0.5
221.11763	0.2
253.09167	0.2
279.23447	0.2
281.21158	0.4
325.23810	0.3
327.21857	1.5
411.21985	0.2
414.38165	0.2
428.29065	0.4
443.31705	0.2
446.30264	2.2
446.35989	0.3
447.30539	0.4
460.31787	0.6
461.26666	0.2
461.32736	2.7
462.32861	0.5
463.27939	0.2
488.31119	0.5
489.32074	0.7
506.32208	0.7
507.33301	5.7
508.33499	0.8
669.38440	0.6
677.28546	0.2
711.39581	27.2
712.39941	6.1
724.33356	0.8
738.31897	0.3
785.53448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.1
57.08348	1.0
58.00602	2.4
59.01377	100.0
61.98827	90.2
63.14254	1.0
68.99834	1.1
69.22939	9.2
71.01381	6.1
72.99306	1.5
73.02940	3.2
75.00866	2.6
77.12404	1.0
78.95888	1.3
79.05540	1.2
79.95728	1.1
80.96497	2.5
81.03477	1.0
83.05020	4.4
85.02947	19.5
87.04498	2.3
89.99154	1.0
93.20394	0.9
94.98122	1.1
95.05035	1.4
97.02954	2.0
98.19876	2.3
99.00880	1.0
99.03918	2.1
99.04515	29.5
101.02444	2.0
101.06109	1.1
106.98283	1.1
109.02926	1.8
111.04504	1.9
112.98568	1.2
113.02423	1.5
113.99606	1.6
116.92849	1.7
119.05111	1.3
121.02946	31.7
121.06561	1.4
123.08150	1.9
124.81127	1.0
129.01945	5.2
131.04929	1.1
131.08618	1.5
133.06580	1.4
135.04506	3.0
135.08080	1.5
145.06543	1.6
147.04523	40.5
148.04829	2.2
157.06512	1.8
159.08173	1.2
161.04532	1.9
171.04608	1.3
171.08055	1.5
171.10223	2.1
173.06084	1.0
185.09689	1.4
194.80006	0.9
197.06044	1.6
197.09912	1.3
197.11794	3.9
198.06841	2.0
199.07637	2.9
199.13406	1.5
200.08356	1.7
201.09186	1.0
209.10002	1.2
209.11818	26.6
210.12109	2.4
211.07640	1.8
211.13419	3.8
212.08583	1.3
213.09236	7.7
225.09186	1.3
227.12845	9.3
235.08191	1.6
253.09264	4.1
263.14325	1.2
271.02322	1.9
283.13272	2.5
291.19666	6.0
295.13068	1.2
300.02603	2.3
309.20654	9.7
427.21552	2.5
445.20859	1.4
489.22589	1.8
495.23914	1.4
509.18515	1.8
509.25439	22.0
510.25650	2.7
519.23761	2.9
527.26294	1.5
533.28900	1.3
537.24792	2.7
549.25208	1.2
551.26746	1.9
559.27100	1.5
561.24573	4.7
565.31274	1.2
569.26801	1.7
577.27838	5.5
603.26038	7.9
604.25983	2.8
607.27856	1.2
609.30493	3.6
619.29083	41.8
620.29578	9.8
621.26874	4.2
651.31592	17.7
652.31860	3.8
663.27399	4.0
665.28003	1.4
695.30292	3.9
723.30109	20.7
724.30499	4.5
755.31793	9.8
756.32849	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	755.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	94.4
60.01701	1.4
61.98833	100.0
65.81531	1.1
69.03453	1.0
70.69998	1.0
70.72274	1.1
71.01369	1.9
71.52663	1.8
73.02953	1.3
74.61929	0.9
75.00857	1.4
78.95901	1.3
79.05524	1.1
79.95732	1.7
80.96532	1.5
83.05029	1.9
85.02953	78.8
86.03298	1.2
86.66495	0.9
87.04488	1.1
88.98790	1.5
90.37742	1.0
93.03461	1.2
95.05015	1.5
96.96014	5.8
99.00867	2.5
99.04526	34.7
109.02982	1.4
109.06590	2.7
111.04527	1.8
111.08172	1.1
116.92855	9.3
117.01940	1.7
117.25484	1.1
121.02961	27.4
122.03814	1.1
123.04539	1.6
133.06555	1.2
135.04469	1.4
147.04556	6.1
148.83492	1.0
151.00362	3.3
159.08096	1.5
165.12798	1.2
171.47920	1.1
175.90906	1.0
178.99829	1.6
183.08119	1.1
185.06160	1.3
197.09677	1.1
197.11798	3.0
199.07541	2.1
199.13396	1.7
201.09189	1.4
209.11842	15.0
210.11945	1.1
211.13309	1.5
213.09303	1.2
215.10739	1.3
225.11162	1.6
226.02725	1.4
227.03554	1.4
227.12912	8.3
239.10748	1.3
243.02956	5.3
253.09160	3.3
253.11983	1.2
254.02269	1.7
255.02831	5.0
263.10846	1.4
267.09964	2.3
271.02460	19.1
272.02780	2.8
281.11816	2.7
291.19678	2.0
300.02728	20.7
301.03452	11.8
309.20694	9.0
441.22870	1.9
467.24396	1.5
495.23840	15.1
496.24344	2.0
519.23413	1.7
527.26343	1.7
533.25134	14.1
534.25946	1.3
537.24841	3.0
539.23975	1.3
551.26349	1.5
565.27960	2.1
577.25012	13.0
578.25073	1.5
581.23730	2.7
601.27307	1.2
603.25677	3.2
609.26654	4.6
619.29126	28.7
620.29596	5.1
621.27411	2.2
651.31366	1.7
663.28137	80.8
664.28308	15.9
695.30829	16.9
696.31024	3.7
719.30499	4.0
755.29346	23.8
755.42230	1.2
756.29382	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	92.5
59.80769	0.8
60.01723	1.4
61.98831	56.5
68.99523	0.9
71.01401	4.5
72.99325	1.8
79.95728	0.9
80.96526	1.1
81.03446	1.3
83.01387	2.8
83.05016	3.4
85.02951	2.8
89.02468	1.9
93.03457	1.3
95.05016	1.7
96.96000	4.3
97.02917	1.9
98.19880	2.0
98.20583	3.6
99.00872	3.2
99.04507	1.5
101.02452	2.3
107.05023	1.3
109.02967	2.1
109.06574	2.2
111.04519	1.9
111.08172	2.0
120.09039	1.0
121.02958	100.0
121.06596	1.3
122.03267	5.8
131.08621	0.8
135.04492	1.3
135.08192	0.9
137.09827	0.8
147.04510	13.0
159.08122	0.8
163.11282	2.1
165.12843	1.5
171.10310	5.4
196.47525	1.0
197.11801	7.3
199.13409	2.7
207.10327	1.6
209.11819	47.8
210.12181	2.5
211.13373	3.6
225.11279	3.8
226.06172	1.1
226.11621	1.7
227.12874	12.1
235.08121	2.0
253.09335	7.2
291.19760	7.1
293.21283	2.4
309.20700	18.1
310.20935	1.8
403.19382	1.7
421.20316	2.9
437.82797	0.9
463.21545	2.5
481.22662	4.0
519.23767	1.0
543.23456	5.4
557.25592	1.0
561.25311	1.1
577.24445	22.0
578.24579	4.3
585.24530	2.6
586.25812	1.3
603.25940	38.8
604.26495	7.3
619.25970	1.0
621.27069	18.9
622.27454	3.3
663.27917	10.6
664.28296	2.5
723.29645	4.9
755.30164	3.3
763.49237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
55.25649	0.1
57.03442	0.6
59.01375	1.9
61.98816	0.6
69.03449	0.2
71.01393	0.9
72.99285	0.2
73.02939	0.4
76.29845	0.2
81.03436	0.2
85.02946	7.5
87.00875	1.0
89.02436	0.3
93.03461	2.5
95.01333	0.2
96.95984	0.4
99.04546	0.4
101.02436	0.4
103.03994	0.7
108.65912	0.2
109.02956	0.5
111.00883	0.4
111.04488	0.8
111.08148	0.6
113.02469	0.4
115.03904	0.2
119.03514	0.3
119.75998	0.1
122.49196	0.2
127.04004	1.6
129.01927	0.4
133.02957	0.5
134.03740	0.3
135.04546	1.2
137.02522	0.2
143.03467	0.2
147.02974	0.4
155.03548	0.2
155.07106	0.4
161.02463	2.0
163.03993	0.2
171.03001	0.4
173.04555	1.5
179.03360	0.9
191.05606	100.0
192.05962	3.5
193.05092	0.3
205.03503	0.2
209.03058	0.2
223.04561	0.6
229.13235	0.2
335.13257	0.2
351.12897	0.8
352.13333	0.6
353.08752	18.5
353.12744	0.7
354.08951	1.3
385.07874	0.3
501.11765	0.2
530.24310	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80235	0.5
56.33548	0.5
57.03445	12.9
59.01380	5.1
69.03462	3.4
69.55713	3.0
71.01383	5.4
72.99297	0.7
73.02969	0.7
76.89524	0.5
81.03459	0.8
83.01392	1.8
85.02937	4.3
87.00854	3.5
87.44981	0.5
89.02460	1.7
95.04996	1.3
97.02937	1.7
97.06586	1.1
97.48080	0.6
99.00874	2.9
99.04501	1.6
101.02463	2.8
109.02930	3.6
109.06588	5.2
111.00891	0.7
111.04504	1.1
113.02419	1.8
115.00362	6.9
119.03500	1.0
121.06595	2.0
123.08141	3.4
125.02452	1.4
127.00368	1.3
129.01953	2.2
133.02942	3.3
135.04507	2.3
135.08168	3.4
137.06099	0.7
137.09714	11.9
138.06865	16.9
138.09979	0.6
139.00346	1.0
139.07323	0.7
147.03044	2.5
147.04527	1.4
147.93655	0.5
149.06071	13.2
149.09703	2.6
150.06400	0.9
151.04019	0.9
151.05289	0.5
151.11304	2.5
153.09204	36.7
153.12831	2.1
154.09520	1.4
161.01123	1.1
161.02437	14.2
161.04468	0.8
163.03937	1.2
163.11279	4.1
165.05540	1.1
165.12819	5.4
167.10814	0.7
171.04535	0.5
174.03166	1.1
175.02464	13.7
175.03986	4.8
175.11270	1.9
177.01941	7.0
177.09177	0.7
179.10710	0.8
181.12332	10.7
183.02910	0.7
183.13890	13.2
184.14297	0.6
187.04062	1.5
188.04721	0.9
189.05621	2.5
191.03450	1.4
193.05043	4.3
193.12338	7.0
203.03519	2.0
205.05115	1.3
211.13383	29.5
212.13765	1.6
215.03523	2.5
217.05066	1.3
219.02980	7.5
231.06717	1.0
233.04543	7.8
234.04778	0.6
237.04034	10.8
245.04549	0.9
247.06125	1.0
249.07706	1.2
255.12358	81.5
256.12646	4.4
257.04465	0.7
275.05542	2.9
277.03506	4.8
293.06610	3.9
319.04669	2.8
337.05511	25.6
338.05930	1.2
365.14517	1.5
395.15240	0.6
455.11929	1.4
499.10907	100.0
500.11203	10.5
755.23877	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2035
Annotation	Quercetin-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.20955	0.7
55.25489	0.6
57.03446	1.2
57.68611	0.6
59.01376	2.2
62.39271	0.6
65.00326	1.3
71.01385	1.6
71.53737	0.6
83.01418	0.8
85.02953	2.7
93.03498	0.9
96.95998	1.3
101.02434	1.1
107.01388	2.0
109.02988	1.2
121.02921	1.0
125.02470	0.6
129.01913	2.1
133.02931	0.6
134.03697	0.8
147.02975	3.2
151.00366	8.7
157.01773	0.7
163.00441	0.8
164.01115	0.7
165.02011	0.9
171.04512	1.1
174.01675	1.9
176.42564	0.6
177.01892	0.7
178.99843	2.7
185.06184	0.7
191.01894	1.1
191.03474	0.7
193.01442	0.8
193.05042	0.8
199.04030	2.4
201.05588	1.3
211.04013	1.0
215.03423	1.1
226.02614	0.7
227.03445	2.9
229.04913	1.1
243.02954	5.1
245.04555	0.8
255.02957	8.4
271.02460	60.1
272.02869	5.0
273.03772	0.7
275.06042	0.8
285.03952	1.4
299.01950	100.0
300.02646	37.7
301.03506	45.3
301.06305	0.8
302.03790	3.2
381.19086	2.5
446.08514	22.4
447.09113	10.6
448.09824	0.7
486.46890	0.7
593.14972	0.8
609.14545	26.3
610.14740	3.3
681.35693	0.7
693.20294	0.9
755.20349	99.0
756.20618	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	754.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01379	9.3
61.98830	100.0
69.03493	0.2
71.01382	4.5
71.54637	0.3
72.89736	0.2
72.99339	0.5
73.02950	1.9
75.00873	1.7
76.94679	0.2
80.96530	0.4
83.01389	0.8
83.05038	0.5
84.02131	0.3
85.02956	2.2
87.00881	0.8
88.58472	0.3
88.98799	2.1
89.02440	1.2
90.98594	1.6
95.01369	0.4
96.96003	0.7
97.02956	0.6
99.00900	0.3
99.04511	4.4
101.02436	2.3
102.96946	0.2
108.02176	0.3
111.00878	0.3
111.04485	0.2
113.02434	1.7
114.05644	0.4
115.00423	0.4
116.92926	0.6
119.03484	0.4
125.02461	0.9
143.03514	0.3
152.04823	0.9
154.06374	0.6
155.30083	0.2
161.04622	0.3
171.10278	0.3
201.11249	1.2
202.11693	0.3
209.11826	5.1
210.12199	1.4
227.12903	0.8
228.13380	0.3
248.02409	0.6
253.09222	0.3
292.36075	0.2
324.67261	0.3
345.30322	0.3
423.23929	0.4
445.21432	0.3
455.24692	0.3
503.26831	0.3
505.28271	0.4
517.28741	0.3
518.29211	0.3
531.26038	0.3
549.27295	0.8
559.29437	0.8
591.27972	1.6
613.27246	0.6
615.28784	0.7
620.32275	0.4
631.27521	3.2
632.28369	0.5
633.29126	6.9
633.38928	0.4
634.29889	1.4
637.26904	0.4
649.28613	0.5
649.38501	0.5
650.38483	2.2
651.39508	3.2
655.27728	0.6
661.28375	1.9
667.39752	0.5
668.39758	1.1
669.40826	1.6
673.29193	0.8
680.33197	0.4
691.29626	7.9
692.30029	1.6
710.40942	0.7
711.42291	1.7
754.33990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95745	0.2
57.03447	0.3
57.09519	0.2
59.01374	6.7
60.99318	0.2
61.98827	100.0
64.04111	0.3
69.22800	2.3
71.01388	2.8
72.99310	0.7
73.02933	1.8
75.00866	2.3
83.01397	0.4
83.05027	0.3
85.02942	1.9
85.03382	0.2
87.00893	0.4
88.98357	0.2
88.98804	1.3
89.02446	0.7
90.98565	0.3
95.05049	0.3
96.95993	0.6
97.02966	0.6
97.06620	0.3
98.20410	1.2
99.00871	0.3
99.04513	4.7
101.02452	1.0
111.04528	0.4
111.34623	0.3
113.02461	0.9
114.01961	0.5
114.05614	0.6
123.04531	0.2
135.04514	0.2
144.88936	0.2
152.04814	0.7
154.06384	0.9
194.05844	0.3
209.11830	0.5
234.98256	0.2
257.93964	0.3
319.66483	0.2
423.23788	0.5
451.23456	0.3
473.25342	0.3
475.23907	0.3
485.25473	0.3
489.34210	0.3
503.26474	0.4
505.26672	0.2
513.24988	0.3
549.27112	0.8
591.27887	2.1
613.26300	1.2
631.27423	4.6
632.27838	0.6
633.29108	9.8
634.29620	1.6
643.27753	0.3
649.37988	0.5
650.38428	0.7
651.39813	2.1
655.28455	0.7
661.28699	3.1
662.29523	0.5
669.40619	1.3
673.29315	0.9
691.29688	8.2
692.30231	1.3
710.39191	0.6
711.41296	1.0
754.32867	1.5
755.33734	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	754.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.0
61.98832	100.0
62.98549	0.2
62.99283	0.1
68.68702	0.1
71.01382	0.4
71.52749	0.2
72.99315	0.3
85.02954	2.3
88.98803	0.3
99.00880	0.3
99.04531	1.4
121.02966	2.0
123.04489	0.2
147.04530	2.1
148.04842	0.2
199.13380	0.2
207.10460	0.2
209.11819	1.3
211.13510	0.4
225.11310	0.3
227.12878	0.2
255.02991	0.3
266.09274	0.2
267.10309	0.3
271.02457	0.9
281.11847	0.5
289.17996	0.2
289.90549	0.2
291.19714	0.4
300.02798	1.4
301.03479	0.4
309.20734	0.3
495.23749	1.3
497.25946	0.2
527.27002	0.5
577.28357	0.7
603.26306	0.2
619.29028	2.8
651.31738	1.3
691.28015	0.3
694.28888	0.2
755.28967	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17963	0.1
59.01109	0.2
59.01383	2.0
61.98832	100.0
62.98540	0.2
63.99256	0.3
64.66786	0.1
71.01407	0.1
80.26694	0.1
81.03478	0.1
83.05037	0.2
90.04615	0.1
96.96033	0.3
99.04527	0.4
109.06605	0.2
116.92879	0.3
121.02954	1.3
122.03312	0.1
135.04529	0.1
147.04527	3.6
148.04871	0.5
163.11369	0.1
165.12933	0.1
171.10329	0.2
184.05310	0.4
197.11897	0.2
209.11826	1.8
210.12251	0.1
211.13449	0.1
225.11369	0.1
227.12912	0.3
229.10106	0.1
253.09373	0.2
291.19846	0.1
309.20844	0.4
447.12958	0.1
505.29636	0.1
561.24707	0.2
577.24738	0.2
603.26141	0.4
615.26263	0.4
621.27576	0.2
659.25421	0.2
691.27502	2.4
692.28265	0.5
712.33948	0.2
754.34851	0.1
755.29559	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	754.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26709	0.4
59.01378	8.6
61.98829	100.0
70.38506	1.3
71.01387	0.7
81.03449	0.4
83.05016	0.8
85.02959	0.7
89.02488	0.4
96.96021	0.5
99.04514	3.6
103.05527	0.7
109.06602	1.2
119.05045	0.9
121.02960	1.8
127.04018	0.5
131.05052	0.9
133.06589	0.9
135.04527	1.1
137.06129	0.4
141.05576	0.4
147.04520	35.2
148.04907	1.1
148.58336	0.4
149.06113	0.5
151.07628	0.4
152.80081	0.4
159.08214	0.5
161.06094	2.3
161.14857	0.4
171.10361	0.6
173.09747	0.5
187.11382	0.7
200.50195	0.4
206.60670	0.4
207.10289	0.7
209.11758	2.3
213.09160	0.7
215.10890	0.7
227.12917	1.1
243.03021	0.5
253.09526	0.5
271.02563	1.7
291.19626	0.5
297.15015	0.5
300.02774	1.5
301.03857	0.5
309.20621	1.8
407.18854	0.4
439.21436	0.7
441.19293	0.6
485.22198	0.8
503.22623	0.5
561.24963	0.6
573.25269	0.5
596.30286	0.6
615.26379	1.2
625.31250	0.6
626.30414	0.6
627.32391	0.7
628.32513	1.7
647.29321	1.3
648.30426	0.4
663.28894	0.5
691.27509	33.3
692.27979	8.1
755.29718	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	754.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
61.98830	100.0
71.01383	0.4
71.52500	0.1
71.52853	0.1
78.91874	0.1
83.04977	0.1
85.02959	0.1
89.02430	0.2
96.39758	0.1
96.96047	0.3
97.02995	0.2
99.00896	0.2
99.08501	0.1
101.02477	0.2
101.06102	0.2
104.86686	0.1
109.06554	0.3
111.93695	0.1
121.02961	1.1
147.04509	1.1
161.04610	0.2
163.11250	0.2
169.12398	0.2
171.10298	0.4
181.12308	0.2
183.13866	0.2
186.34238	0.1
197.11749	0.7
198.12167	0.2
199.13492	0.4
201.11340	0.1
207.10243	0.7
208.10541	0.1
209.11816	1.6
210.12172	0.3
211.13371	0.2
225.11327	1.0
226.11850	0.2
227.12894	1.3
235.08243	0.3
252.97881	0.1
253.09276	0.6
291.19763	1.0
292.19928	0.2
293.21210	0.2
307.19315	0.2
308.19821	0.2
309.20697	1.2
310.21307	0.3
362.35690	0.1
445.20941	0.2
461.20435	0.2
463.22116	0.2
546.29840	0.1
679.29248	0.3
691.28479	0.2
723.30518	0.1
754.29822	0.1
754.41541	0.5
755.42517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.7
60.43470	0.3
61.48400	0.2
61.98830	100.0
62.98536	0.4
71.01379	1.2
71.52838	0.3
72.99318	0.4
73.02936	0.4
75.00896	0.4
78.11472	0.3
78.95885	0.3
79.05541	0.3
80.96517	0.4
81.03457	0.3
83.05038	0.9
85.02987	0.7
87.00866	0.5
87.04464	0.3
89.02442	0.3
93.03484	0.4
95.05013	0.3
96.96020	0.6
99.00874	0.6
99.04533	1.3
99.92613	0.4
101.02470	0.5
101.06079	0.8
103.05571	0.4
107.04989	0.3
109.06602	0.6
110.03689	0.4
111.04514	0.4
115.92097	0.7
116.92906	0.4
119.05045	0.7
121.02959	4.6
122.03263	0.3
123.08185	0.3
125.06113	0.3
125.46297	0.2
127.97095	0.3
129.01910	0.4
133.06604	0.6
135.04565	0.6
147.04523	23.5
148.04913	0.9
159.08128	0.4
161.06102	0.3
163.11307	0.6
171.10329	0.5
173.06104	0.3
197.11874	1.1
199.13452	0.4
207.10274	0.8
208.10733	0.4
209.11824	6.1
210.12216	0.4
211.13451	0.8
213.09213	0.6
225.11249	1.6
226.11635	0.5
227.12840	2.0
235.08110	0.3
240.20531	0.3
248.46793	0.3
253.09372	1.1
291.19757	1.0
298.48062	0.3
309.20709	2.3
353.17767	0.4
461.20706	0.4
561.25177	0.5
603.26074	0.9
615.25354	0.4
619.29175	0.5
621.27039	0.4
627.31787	0.9
629.33704	0.7
651.31848	0.3
674.30536	0.3
691.27521	9.5
692.28040	2.3
723.30481	1.7
754.41425	0.3
755.31580	1.4
755.44269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.1
55.40065	1.0
57.03445	6.8
58.00601	2.2
59.01378	78.9
61.98831	6.3
68.99815	1.3
69.03455	1.6
69.48695	7.5
71.01379	61.9
72.99297	2.4
73.02947	13.9
83.01380	8.9
85.02953	29.5
86.00103	1.6
87.00869	4.9
88.98811	1.5
89.02447	16.6
93.58030	1.0
95.01376	6.0
97.02945	3.4
98.19892	1.5
98.20467	2.8
99.00888	7.9
101.02438	30.4
105.28223	1.0
111.00880	1.9
112.01668	1.3
113.02451	27.3
119.03501	6.1
124.01624	2.2
125.02449	5.2
135.04497	3.0
143.03491	4.0
143.10785	4.2
159.02927	2.0
161.04546	7.2
179.05652	1.1
183.15434	1.0
211.16960	1.1
237.22173	0.9
259.67508	1.0
265.06686	1.2
313.27441	1.5
343.28543	5.2
487.32849	12.2
488.33209	1.5
505.33707	8.5
538.50513	1.2
581.63867	1.0
613.35431	2.1
649.37988	100.0
650.38330	17.4
651.39807	1.3
667.39093	59.9
668.39240	9.6
709.40118	53.6
710.39929	8.9
711.41309	1.6
762.30603	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18448	0.9
55.01867	4.1
57.03446	5.9
58.00588	2.0
59.01379	80.9
59.92383	1.1
60.01721	1.5
61.98531	1.6
61.98829	17.1
69.03455	2.6
69.79526	2.8
69.79939	2.5
71.01382	56.3
72.01724	1.5
72.99297	3.9
73.02944	14.5
74.78837	0.9
74.99093	11.2
75.68472	1.0
80.96518	1.9
83.01382	7.3
85.02950	34.3
85.06568	1.5
86.00089	1.3
87.00849	5.1
88.98803	3.6
89.02448	18.5
95.01393	6.1
96.96001	2.1
97.02956	3.4
98.19993	1.9
99.00881	7.1
99.04532	3.3
101.02438	36.6
111.00867	3.2
113.02444	31.0
119.03510	5.7
124.01669	2.0
125.02470	4.9
136.99141	8.7
143.03484	4.2
143.10742	4.9
159.03000	2.9
161.04562	8.8
198.68378	1.1
232.73445	1.2
249.77336	1.1
313.27185	1.3
343.28467	6.1
359.79602	1.2
388.02563	1.1
487.26740	2.2
487.32816	15.1
488.33008	2.1
505.33884	9.3
506.33673	1.9
547.34900	2.2
591.27826	2.6
615.28180	7.5
628.21259	1.1
649.38000	100.0
650.38281	18.5
651.38586	1.6
667.39063	68.1
668.39337	14.7
709.40125	40.9
710.40527	10.8
711.41998	1.5
753.30286	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.9
58.51862	0.2
59.01377	5.8
62.93607	0.3
66.45821	0.3
69.03452	0.3
70.68185	0.3
71.01380	4.1
71.05003	0.4
72.99335	0.3
73.02944	11.2
75.00877	0.8
80.31058	0.3
83.05002	0.4
83.35583	0.2
84.92184	0.2
85.02943	12.2
87.00883	0.6
87.04510	11.4
89.02446	1.4
91.76324	0.3
97.02949	1.7
99.00851	0.3
99.04511	1.7
101.02432	2.4
103.04006	55.3
104.04355	0.8
113.02456	1.8
115.04006	6.9
117.05556	1.9
119.03495	0.6
127.04002	0.7
127.54471	0.3
129.01961	0.6
133.02972	0.7
145.05066	6.6
147.03018	1.5
153.05473	0.3
153.09177	0.3
157.05055	0.5
161.04520	0.7
175.06091	1.0
177.01883	0.3
243.83804	0.3
247.08195	4.9
248.08652	0.4
265.09290	4.2
265.12097	0.4
265.13190	0.2
307.13672	0.4
321.11832	4.2
321.15250	0.3
322.12521	0.4
333.11890	1.7
351.12921	100.0
352.13263	7.9
352.17526	0.5
542.22894	0.3
695.31055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60373	0.6
55.97379	0.6
59.01377	10.7
61.98832	100.0
71.01390	1.7
72.99286	0.9
73.02917	0.9
75.00908	0.6
78.95941	0.8
83.05019	1.4
83.28943	0.5
85.02952	5.4
86.03297	1.5
88.98827	2.0
96.96000	0.7
97.02982	0.8
98.19879	1.2
99.00887	1.6
99.04527	0.9
100.77679	0.6
101.02438	1.6
104.48973	0.6
109.02954	0.6
109.06635	0.9
111.04534	1.4
116.92866	3.6
117.01965	1.8
119.08694	0.6
121.02953	5.4
123.03819	0.7
135.08192	1.2
145.06691	0.7
147.04532	11.2
148.04906	2.2
149.06146	0.8
153.05620	0.9
163.11255	1.4
171.10330	0.6
173.34399	0.6
191.07193	0.5
197.11833	1.0
201.09349	0.7
203.07156	1.1
205.38522	0.7
207.10318	2.3
209.11839	8.1
211.13431	1.2
219.10347	1.9
225.11357	3.7
227.13029	1.1
240.68379	0.8
253.09398	1.3
289.18256	1.2
291.19662	0.9
307.19260	1.0
309.20734	1.8
395.18784	0.8
545.20953	1.0
573.22534	0.8
577.24854	0.9
603.25946	3.0
633.25006	0.7
693.29382	2.6
735.40131	0.8
753.29926	0.8
754.31683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.4
59.01378	100.0
61.98831	80.7
69.03475	1.4
69.56835	2.6
69.57241	6.0
71.01383	18.8
71.05024	1.1
72.99313	1.5
73.02946	3.4
75.00867	4.6
79.05550	1.2
80.96510	1.4
81.03452	1.9
83.01429	1.8
83.05027	5.4
85.02944	3.7
87.00885	1.7
88.98794	3.4
89.02471	1.6
95.01421	1.0
96.96012	12.3
97.02942	1.3
98.19953	2.3
98.20594	2.2
99.00901	2.6
99.04504	11.3
101.02473	2.7
103.03973	1.1
103.05534	2.0
107.05005	2.1
109.02969	1.4
109.06602	4.3
111.04491	5.5
113.02431	1.5
116.92878	3.7
119.05035	2.7
121.02960	18.9
127.04015	7.3
131.08685	1.9
133.06615	2.4
135.03049	1.9
135.04504	3.8
135.08153	1.7
141.05519	1.4
145.06535	1.4
145.10292	1.1
147.04521	81.8
148.04881	3.3
151.07666	1.8
157.06563	1.3
159.04533	1.1
159.08162	2.4
161.06084	2.7
163.07668	1.9
163.11287	1.3
167.07092	1.8
169.05013	12.6
171.04494	1.3
171.10240	3.4
173.06071	2.7
181.12355	1.2
187.07587	2.6
189.09171	4.1
191.10768	4.4
199.69191	1.2
201.09311	1.2
207.10197	6.5
209.11813	19.3
211.13171	1.2
213.09077	2.1
215.07076	1.3
225.11346	6.3
227.12946	2.5
238.09972	1.4
239.10713	1.1
253.09308	1.8
273.11240	2.2
281.11700	1.4
357.17188	1.6
423.17789	1.3
429.19144	5.0
435.17789	2.2
449.19830	2.8
461.20273	2.8
467.20670	2.4
469.18732	3.3
485.21744	4.1
495.20462	4.0
513.21417	2.6
527.22797	4.5
531.29718	2.4
591.26526	1.5
601.24548	4.5
615.25854	2.4
632.83893	1.1
633.26605	5.9
634.27136	2.1
643.25397	12.9
644.26086	2.9
661.26306	2.0
671.32782	2.1
675.28070	74.4
676.28442	15.0
693.29297	10.0
694.29028	2.5
695.30804	9.7
709.37018	3.1
721.36224	2.4
723.29980	1.4
753.32910	3.9
754.30841	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.2
61.13116	0.4
61.98834	14.3
63.23645	0.5
71.01411	0.6
83.05021	1.1
85.02979	0.5
99.04525	1.7
103.05585	0.6
107.05031	0.7
119.05029	1.1
121.02961	100.0
122.03287	4.0
131.05034	1.9
133.06601	1.9
145.06648	0.5
147.00148	0.6
147.04529	28.5
148.04851	1.3
151.00362	1.5
161.06071	3.0
161.09697	0.8
167.03520	0.8
171.04482	1.2
178.99759	0.7
193.08592	0.8
197.11858	1.3
207.10222	0.7
209.11816	2.1
213.09351	0.7
225.11354	2.8
243.02942	1.7
255.02945	3.1
271.02487	8.9
272.02780	0.8
287.68036	0.6
300.02713	9.5
301.03571	5.0
309.20758	1.4
379.19208	0.6
461.20807	0.6
527.24609	0.6
528.98236	0.7
533.24695	1.4
542.63770	0.5
555.24011	1.5
617.26093	0.9
661.25574	1.2
677.27637	5.3
678.27600	1.2
698.18463	0.6
709.29956	7.5
710.30524	2.1
753.28876	24.3
754.29034	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	753.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.4
61.21001	0.3
61.98830	13.1
62.19427	0.4
62.95909	0.4
69.26295	0.3
69.26586	3.3
71.01383	1.7
72.99320	0.5
73.02946	0.6
75.00875	6.1
76.01225	0.4
78.95907	0.9
79.05542	0.5
80.22061	0.3
83.05021	1.4
85.93191	0.4
87.00867	0.6
88.98775	0.6
93.03457	0.8
97.02966	0.4
99.04515	2.1
99.07996	0.4
101.02435	0.3
103.63579	0.4
107.05029	0.8
109.06606	0.7
111.04514	0.6
115.05516	0.9
119.04977	0.7
121.02952	100.0
122.03276	3.5
131.05035	1.3
133.06572	1.3
135.04524	1.1
135.08130	0.5
141.32149	0.3
143.04951	0.4
145.06592	0.6
147.04514	20.0
148.04823	0.9
149.06131	0.4
152.99535	0.5
157.06601	0.5
161.04849	0.4
161.06041	1.8
161.09731	0.6
163.07671	0.4
163.11295	0.7
165.12874	0.7
171.04564	0.4
171.10240	0.7
173.06075	0.5
178.47139	0.4
184.05299	2.1
185.06061	0.6
197.11884	0.5
199.13432	0.6
207.10246	1.4
209.11816	10.1
211.13266	0.7
213.09114	0.5
225.11276	1.5
227.12886	3.4
235.08163	0.6
253.09300	1.1
289.18039	1.4
291.19815	0.8
307.19083	1.8
309.20605	0.8
336.36053	0.4
404.39154	0.4
527.24310	0.9
555.23663	1.5
559.26593	0.9
587.26556	0.6
633.28931	0.9
649.28540	0.5
651.28229	0.6
677.27374	4.7
678.27686	1.4
709.30145	6.5
710.30554	1.4
721.32446	0.8
753.28986	16.3
753.40582	1.3
754.29333	4.3
754.41565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
58.61846	0.4
59.01381	11.1
59.01654	0.4
60.74109	0.4
69.35683	3.3
71.01374	6.1
73.02940	1.3
81.80810	0.4
82.00569	0.6
83.01399	0.7
85.02963	1.3
88.45962	0.4
89.02452	3.1
96.96011	1.2
98.19857	0.8
99.04514	0.5
101.02449	4.0
102.69635	0.4
110.00079	2.3
113.02462	1.8
119.03511	1.7
125.02477	2.9
134.03741	1.0
137.99593	3.5
138.05592	0.5
153.01933	100.0
153.89749	0.4
154.02257	3.0
161.04704	0.5
168.04279	96.9
169.04625	3.6
183.06619	98.0
184.06964	4.7
191.01880	0.5
191.35254	0.4
193.05127	3.1
217.92397	0.4
321.15533	16.3
322.15897	1.4
343.11710	0.5
349.74142	0.4
387.12991	3.6
388.13467	0.5
395.02692	0.4
631.91455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02471	0.3
61.98831	100.0
66.59311	0.2
69.20892	2.6
72.94677	0.2
73.87988	0.3
78.95921	0.5
94.50409	0.2
98.20660	0.7
194.28072	0.3
196.89413	0.3
253.20049	0.3
255.23483	0.6
753.41254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42953	0.2
56.31529	0.2
61.98830	100.0
78.95922	0.6
80.96520	0.7
92.87136	0.2
94.98058	0.2
132.63983	0.2
157.90399	0.2
162.96275	0.3
164.98613	0.3
168.68082	0.2
177.04553	0.3
196.89490	0.7
225.00710	0.3
255.23267	0.2
266.15515	0.2
291.19818	0.4
339.94553	0.2
657.43622	0.3
753.42059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01381	4.5
67.98627	0.5
69.03461	0.8
71.01382	35.0
71.54111	0.8
72.01692	0.7
72.99313	7.2
73.02950	2.5
75.00865	1.1
79.95719	4.7
83.01366	0.6
83.05042	0.8
84.81200	0.6
85.02951	2.1
87.00870	1.8
89.02440	0.9
93.03475	1.4
95.01415	0.7
96.78110	0.6
96.96013	73.6
97.02952	0.9
98.95605	1.1
99.00871	7.3
101.02443	0.7
103.00336	0.6
111.04528	1.5
113.02408	1.1
115.00375	8.9
119.03509	13.7
121.02935	2.3
121.06554	0.8
122.00215	0.6
123.04526	1.8
124.35264	0.6
125.02451	1.7
130.53131	0.7
133.01434	2.5
135.04469	0.9
137.02525	0.5
137.06139	0.7
139.03983	0.7
143.04997	0.6
147.04631	0.7
149.02406	0.6
149.06085	1.9
150.03239	1.1
151.00394	0.8
151.04019	1.6
165.05428	0.9
175.04140	0.9
176.04799	3.0
177.05463	1.5
187.11226	0.6
193.05043	1.7
194.05774	0.9
201.01923	1.7
205.01387	0.9
211.06108	1.4
215.10689	1.2
289.11148	100.0
290.11520	8.5
291.11115	1.3
351.05182	1.6
381.23041	0.8
383.07611	1.3
395.07648	2.1
399.10861	1.3
413.16098	0.7
427.10382	13.0
428.10806	1.3
431.16843	0.9
439.17734	1.7
457.18558	5.0
461.18372	1.7
475.19742	12.4
475.26111	1.0
476.20129	1.7
605.22400	16.3
605.32220	1.0
606.22491	2.4
675.22546	1.4
693.23688	1.0
721.20862	1.9
749.43347	0.6
753.25745	11.2
754.25128	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	752.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64767	0.1
59.01382	3.3
60.44438	0.1
61.98831	100.0
62.98527	0.2
69.14783	1.1
69.15149	0.1
71.01387	0.3
71.23759	0.1
72.99300	0.2
73.02930	0.1
75.00881	0.2
76.40444	0.1
78.95913	0.2
79.95747	0.1
83.05025	0.2
85.02534	0.1
85.02934	0.6
88.98800	0.2
96.96021	0.6
98.19862	0.2
99.04510	0.8
101.02473	0.1
116.92877	0.3
121.02958	1.8
122.03327	0.2
135.08145	0.2
140.63896	0.1
147.04521	1.2
171.10257	0.3
177.40053	0.1
197.11874	0.1
198.40413	0.1
200.34578	0.1
207.10321	0.2
209.11845	1.3
210.12141	0.1
211.13409	0.3
212.13647	0.1
221.42570	0.1
225.11304	0.4
227.12946	0.4
253.09364	0.2
289.18292	0.3
307.19119	0.1
603.88660	0.1
633.27173	0.1
642.28577	0.2
661.29150	0.2
674.30585	0.9
675.29852	0.2
722.29028	0.1
735.39862	0.2
753.31268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01245	0.2
59.01375	1.8
61.98830	100.0
69.03468	0.3
69.68024	0.5
69.68438	0.8
71.01389	0.7
72.99315	0.6
73.02950	0.5
78.91884	0.3
80.13615	0.2
83.05029	0.5
85.02961	1.1
87.00897	0.3
88.98820	0.5
89.02458	0.3
93.03486	0.3
95.05075	0.5
97.02969	0.6
98.19904	0.5
98.20494	0.5
99.00919	0.9
99.04520	9.6
100.04829	0.3
101.02444	0.5
101.06109	0.7
107.05038	0.4
109.06598	0.6
111.04520	0.3
111.08194	0.2
113.02497	0.3
119.05048	0.3
121.02957	22.3
121.06638	0.3
122.03312	0.5
123.04532	0.3
125.02393	0.3
125.09747	0.3
127.04037	0.3
131.05074	0.4
133.06618	0.7
135.04547	0.4
145.02977	0.7
147.04520	6.4
147.05663	0.4
148.04822	1.1
159.08092	0.3
161.09714	0.3
163.11343	0.6
171.08183	0.3
171.10283	0.5
197.11856	0.9
199.13380	0.3
207.10257	2.2
209.11826	1.4
211.13390	0.4
225.11415	2.3
227.12982	0.7
243.12466	0.3
253.09322	0.4
289.18292	0.3
291.19711	0.5
307.19125	0.4
309.20844	1.1
337.71774	0.3
461.20609	0.5
531.24054	0.5
613.28101	2.1
645.30536	2.2
646.31366	0.3
670.33673	1.1
677.27802	0.5
689.29578	15.1
690.29974	3.1
709.30579	0.7
720.27460	0.7
721.25958	0.3
752.30573	0.6
753.26782	3.3
753.41272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
60.01713	0.1
61.01830	0.1
61.98829	100.0
62.98538	0.2
62.99258	0.1
65.03789	0.1
65.57426	0.1
75.55743	0.1
86.30376	0.1
104.79082	0.1
140.98251	0.1
164.99921	0.1
229.02328	0.1
250.22749	0.1
484.74710	0.1
587.38940	0.1
600.31641	0.1
652.20294	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	752.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
60.99298	0.1
61.98830	100.0
62.98527	0.2
71.01385	0.4
71.27372	0.1
71.54388	0.2
72.00501	0.1
73.02946	0.2
79.46491	0.1
80.96530	0.1
85.02960	0.4
87.00906	0.2
88.98807	0.8
89.02471	0.2
94.02878	0.1
94.98100	0.1
96.95997	0.5
97.02979	0.1
99.00880	0.1
99.04545	0.3
101.02442	0.3
113.02454	0.2
113.06114	0.1
116.92902	0.2
119.03477	0.2
120.99660	0.3
121.02982	0.3
147.04550	0.4
149.06061	0.1
209.11876	0.3
211.13354	0.1
263.86462	0.1
306.32523	0.1
334.32184	0.1
336.07083	0.1
358.74957	0.1
419.26657	0.1
461.27524	0.2
473.29190	0.2
504.33316	0.2
563.34283	0.1
592.03326	0.1
597.23505	0.5
629.26294	0.2
689.31378	0.1
708.37512	0.2
752.27277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.3
59.01382	5.6
60.01680	0.2
60.99320	0.2
61.98830	100.0
62.98520	0.2
65.02952	0.2
71.01382	2.3
73.02948	0.4
75.00880	1.0
78.95914	0.2
80.96526	0.2
83.01418	0.3
83.05030	0.4
85.02955	1.5
87.00878	0.4
88.98821	0.7
89.02451	0.4
96.96025	0.7
97.02951	0.3
99.00929	0.2
99.04527	1.2
99.92599	0.2
101.02461	1.4
103.04018	0.2
105.01923	0.6
109.06606	0.6
113.02455	0.2
116.92850	1.8
119.03477	0.2
121.02942	0.5
125.02444	0.2
135.04527	0.2
142.07452	0.2
147.04524	1.2
148.04883	0.3
150.06856	0.2
159.08182	0.2
161.09781	0.2
163.11259	0.3
171.10265	0.5
199.07719	0.4
201.11360	0.3
201.40846	0.2
207.10345	1.1
209.11836	3.3
210.12198	0.2
213.09181	0.4
225.11279	0.9
227.12883	0.4
253.09242	0.2
427.21225	1.3
453.51706	0.2
460.32214	0.3
461.20435	0.2
461.33240	0.2
469.22226	2.0
470.22736	0.4
499.23730	0.4
511.23386	0.9
543.26526	0.3
553.24408	2.7
554.24878	0.5
585.27454	0.6
601.25793	0.3
603.26318	0.3
629.25903	1.0
630.26471	0.2
671.33026	0.2
689.32495	0.2
709.37927	0.5
721.36414	0.3
752.29749	0.2
752.41699	0.6
753.33099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
55.37279	0.3
56.69714	0.3
57.03446	1.7
58.00615	0.5
59.01381	40.2
60.01705	0.5
61.98832	16.2
65.42759	0.3
69.03466	0.6
70.28120	1.0
71.01384	17.9
72.99315	1.1
73.02947	6.7
75.00883	0.7
83.01385	2.7
84.02164	0.3
85.02950	8.4
85.06593	0.7
86.00079	0.6
87.00885	1.2
88.98805	0.4
89.02453	5.3
95.01404	1.5
96.96021	0.6
97.02965	0.6
99.00873	2.3
99.04539	0.5
101.02444	11.0
111.00875	0.6
112.98686	0.3
113.02453	8.0
114.02778	0.5
116.92848	0.5
119.03484	1.8
125.02439	0.6
129.01978	0.4
134.02426	0.3
143.03549	0.7
143.10768	0.5
145.17746	0.3
147.04498	0.6
159.02995	0.8
161.04530	2.7
179.05646	1.0
182.03418	0.3
209.11847	1.9
221.94379	0.3
297.28024	0.7
315.58356	0.3
441.26294	0.5
485.25177	1.5
485.31247	0.9
499.27179	1.0
503.32254	2.8
504.32260	0.4
527.26147	0.8
527.33038	0.6
545.33301	100.0
546.33655	14.1
557.27399	0.5
569.33221	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	751.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.1
61.98829	33.9
68.99821	0.7
69.03459	0.8
69.05722	0.4
71.01374	3.1
72.99312	3.1
75.00871	100.0
76.01218	1.3
78.95895	0.4
81.03477	0.4
85.02956	2.4
86.03288	0.5
87.00878	1.5
88.98788	1.1
89.02441	1.5
93.03469	1.3
95.05031	1.0
97.02922	0.7
97.06577	0.6
99.00890	2.8
99.04538	3.3
101.02469	1.0
109.02982	0.6
109.06587	0.7
111.04533	1.5
113.02451	0.9
119.04989	0.7
121.02947	2.2
121.06582	0.8
123.04517	1.7
125.02453	0.9
127.03983	0.5
135.04535	0.7
143.03506	0.5
147.04514	18.7
148.04875	1.3
149.06061	1.5
151.04013	1.1
161.04601	0.6
161.06065	0.8
165.05518	1.2
167.03416	0.5
168.84105	0.5
171.04509	0.5
171.10269	1.0
175.04025	0.5
176.04709	0.9
193.05060	3.3
194.05739	1.2
197.11699	0.5
207.10226	1.0
207.75999	0.4
209.11868	0.7
211.06148	1.9
211.07951	0.4
211.13318	0.7
225.11292	1.8
229.04568	0.5
233.09767	0.6
268.43207	0.5
275.84097	0.4
277.21707	3.1
319.02487	0.4
397.13480	5.9
398.13828	0.7
415.14520	1.7
455.11246	0.5
473.18207	0.7
559.19513	0.8
585.21216	1.1
587.36310	0.7
675.36108	0.7
688.31921	3.4
707.25330	0.9
715.31970	2.3
716.30817	0.8
719.26337	1.6
733.26550	1.7
751.28717	1.4
751.40192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03452	2.3
58.00579	0.4
58.92908	0.3
59.01383	10.3
61.10293	0.3
63.81070	0.3
65.54399	0.3
69.03448	0.4
69.90002	1.4
71.01380	6.0
71.05009	0.5
72.99314	0.4
73.02950	18.5
74.03279	0.4
75.00876	0.4
82.67300	0.3
83.01394	0.7
83.04998	0.4
85.02952	12.9
85.03469	0.7
87.00883	0.5
87.04517	15.6
88.04846	0.6
89.02447	2.4
90.60429	0.3
95.01408	0.3
96.95999	0.5
97.02950	4.4
98.20416	0.6
99.00870	0.4
99.04484	1.8
101.02435	3.9
101.06075	0.9
103.04012	21.5
104.04340	0.5
109.02954	0.3
113.02448	1.9
113.06087	0.5
115.04011	7.5
117.05578	21.8
118.05908	0.4
119.03462	0.7
121.02962	0.3
125.02420	0.4
127.04028	0.5
129.01938	1.0
133.02902	0.4
137.06032	0.5
141.05583	0.4
143.03490	0.4
145.05046	1.4
147.02994	1.3
152.01141	0.3
157.00516	0.3
157.05092	0.4
159.06625	4.7
161.04570	0.8
161.49969	0.3
167.00017	0.3
167.03506	0.4
169.05035	0.4
179.05573	0.5
189.01964	0.3
189.07614	0.4
193.05154	0.4
197.04501	0.8
217.52248	0.3
247.08212	4.0
262.41711	0.4
265.09274	6.3
266.09570	0.4
279.14545	1.0
296.60748	0.3
321.11954	9.2
321.15512	1.5
322.12338	0.7
347.13361	0.9
365.14499	100.0
366.14868	7.8
370.51801	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
57.03451	2.3
59.01379	10.2
61.98811	0.4
63.30851	0.3
69.28751	2.9
71.01379	7.0
71.04996	0.4
72.99276	0.4
73.02945	21.2
75.00855	0.5
83.01373	0.8
83.05016	0.4
85.02948	13.4
87.00856	0.7
87.04512	17.5
88.04825	0.4
89.02451	2.9
95.01398	0.4
95.04939	0.3
97.02953	4.7
99.00887	0.4
99.04503	1.4
101.02431	3.7
101.06071	0.8
103.04008	20.6
111.04463	0.3
112.52635	0.3
113.02438	2.8
115.03192	0.6
115.04001	8.2
116.04359	0.3
117.05575	23.4
118.05856	0.6
119.03520	0.8
121.02881	0.4
127.03972	0.6
129.01965	0.9
133.02950	0.7
134.03714	0.5
134.04721	0.4
141.05569	0.3
143.03444	0.6
145.05049	1.3
147.02966	1.4
150.03224	0.5
159.06621	4.5
161.02441	0.4
161.04488	0.7
165.05640	0.4
169.05096	0.4
171.83699	0.4
177.01904	0.6
179.05591	0.4
182.02240	0.5
189.07623	0.4
193.05045	0.5
197.04581	0.4
207.10786	0.3
247.08162	4.0
248.08568	0.4
265.09235	6.1
279.14511	1.1
321.11923	9.2
321.15524	1.5
335.13336	0.4
347.13483	1.3
365.14490	100.0
366.14862	8.1
509.49011	0.3
784.94897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	31.0
61.98830	100.0
62.98531	0.4
63.99271	0.4
71.01381	1.0
72.99335	0.5
73.02969	0.9
75.00874	0.8
83.05071	0.4
84.02200	0.6
85.02963	1.0
88.98829	0.9
96.96030	0.8
98.20286	2.3
99.00899	1.1
99.04517	8.0
99.05099	0.6
100.04877	0.3
101.02491	0.5
111.04517	0.6
121.02957	14.2
121.06597	0.5
122.03300	0.8
123.04494	0.4
129.07072	0.4
145.02966	0.4
147.04530	6.4
149.06096	0.4
161.06065	0.4
170.07449	0.4
171.04581	0.6
171.08167	0.6
189.09218	1.2
198.07019	0.5
199.07712	0.4
207.10269	0.6
208.11905	0.4
209.11899	1.4
211.13512	1.0
212.13739	0.4
213.09192	0.6
218.09549	0.7
229.03342	0.4
230.09627	0.6
241.08669	0.7
245.11737	1.9
245.35077	0.4
273.11359	0.6
274.12247	1.1
279.31693	0.3
337.23349	0.4
597.24707	0.4
627.26141	1.0
633.28003	1.0
641.27570	4.2
642.28430	0.8
655.29309	0.5
656.34045	0.4
659.28448	4.4
660.29205	1.2
673.30200	20.6
674.30450	3.7
675.28235	1.6
691.30310	0.5
707.31140	0.5
719.27411	0.5
751.31396	0.7
752.36694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03447	1.0
59.01380	30.4
61.98828	100.0
68.99807	1.2
69.03434	2.2
69.16451	6.7
69.16871	2.3
71.01020	1.0
71.01382	12.0
72.99297	5.0
73.02905	0.8
75.00841	1.7
81.03468	1.5
82.84583	0.8
83.01353	1.4
83.05010	2.5
85.02938	6.4
87.00865	2.9
87.04510	53.1
88.04848	1.3
93.03458	4.2
95.05012	2.8
95.88097	0.8
96.95989	1.1
97.02935	1.7
99.00880	28.1
99.04490	2.1
101.02423	3.8
101.06036	1.7
103.00392	1.5
103.05525	1.0
106.04248	1.6
107.05004	3.5
109.02944	3.1
109.06590	1.4
111.04524	8.0
113.02446	2.1
119.05006	2.3
121.02954	9.7
121.06600	4.7
122.03732	1.4
123.04508	5.6
123.08114	1.2
125.02451	2.2
127.03992	2.1
132.45677	0.9
134.03716	1.1
135.04518	2.2
137.02437	1.6
137.06061	2.0
139.04025	1.8
147.04523	62.3
148.04860	2.5
149.06091	5.8
151.03975	4.2
159.08159	0.9
161.06087	1.3
165.05537	3.2
167.03453	1.4
176.04781	1.5
177.05518	2.2
179.07143	1.5
185.09676	0.8
187.11256	1.3
193.05009	8.1
194.05905	4.2
197.11807	2.7
203.07092	2.1
205.08513	1.1
207.10211	1.8
209.11792	2.8
211.06131	5.6
211.13359	3.9
225.11220	2.6
231.10236	1.8
240.00755	0.9
287.16473	0.9
411.13959	1.5
455.16968	1.2
473.18118	1.3
491.19165	39.1
491.71085	0.9
492.19550	5.5
499.19971	2.4
525.21381	1.4
543.22101	1.4
655.25647	1.2
673.26508	3.5
674.26514	1.1
688.30347	3.4
691.27350	4.3
719.27075	16.1
720.27014	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	751.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.0
57.03439	1.3
59.01379	88.3
59.43587	0.8
60.01702	2.0
61.98829	100.0
63.01662	0.7
69.86993	0.8
71.01382	13.3
71.54689	0.9
72.74937	0.7
72.99311	5.1
73.02930	2.1
75.00851	1.8
77.20797	0.7
79.16626	0.8
81.03470	0.9
83.01400	1.6
83.05022	2.4
84.02148	0.8
85.02946	8.4
85.64506	0.8
87.00869	2.8
88.98815	2.0
89.02440	7.7
96.96006	3.1
97.62790	0.8
99.00908	1.8
99.04519	5.3
101.02435	7.3
103.04008	1.3
111.04527	0.8
113.02432	3.0
115.00306	1.5
115.04018	1.1
116.92848	1.8
125.00034	0.9
125.02441	1.5
133.01431	2.6
147.04536	6.0
160.14653	0.9
161.06029	1.1
163.11266	1.4
169.12326	4.2
171.10219	1.6
175.07568	0.8
197.11853	6.5
201.11301	3.3
202.80138	0.8
209.11800	30.1
210.12175	1.8
227.12833	3.9
253.09303	2.0
411.25357	3.6
441.01511	0.9
445.20889	0.9
453.26511	8.9
493.21927	1.0
497.21970	1.4
503.23181	0.9
529.24304	2.7
531.25610	1.3
545.32892	1.3
553.24316	2.5
557.26324	3.2
581.23895	2.5
601.26355	1.0
603.31824	46.6
604.32153	8.4
613.26495	41.5
614.26715	8.5
640.28143	1.0
641.29028	1.1
647.36243	2.6
649.38190	1.5
665.38422	1.2
673.29919	1.4
687.32172	2.7
689.31909	1.0
691.29279	1.3
707.32831	1.7
719.35028	6.6
720.34875	1.3
737.09131	0.9
751.38403	10.2
752.38037	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	751.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.5
59.01380	30.4
61.98830	53.9
62.10495	1.3
69.03438	2.4
71.01389	7.4
71.52558	2.1
72.99322	7.4
73.02916	1.6
75.00880	1.7
81.03482	1.2
83.05022	3.1
85.02942	10.6
87.00885	3.4
89.81774	1.4
93.03452	5.5
95.05030	2.1
97.02957	2.5
99.00890	14.0
99.04513	3.2
101.02450	31.7
101.06091	2.2
103.05515	2.9
105.66694	1.4
107.05063	3.2
108.02189	2.3
109.02986	2.8
109.06681	1.5
111.04503	4.1
119.05006	3.8
121.02953	26.9
121.06592	3.7
123.04538	8.1
126.24997	1.4
127.03995	3.7
131.05040	2.0
134.03726	1.2
135.04538	2.5
137.02496	1.2
137.06078	4.4
138.48347	1.4
139.03986	2.7
139.70108	1.6
145.06607	1.5
147.04526	100.0
148.04892	5.4
149.02414	3.0
149.06097	7.9
150.03246	2.1
151.03938	3.1
159.04529	1.3
161.06140	1.4
165.05554	3.3
167.03490	2.8
167.07138	1.7
177.05536	3.5
185.06158	1.3
193.05043	9.9
194.05736	3.9
197.11798	1.7
209.11758	3.5
211.06087	5.7
211.13461	2.5
220.14751	1.5
225.11336	2.4
253.09377	1.7
449.98444	1.5
499.19724	4.0
525.21228	2.6
543.22150	1.8
559.21863	2.0
561.23376	2.8
601.24445	2.2
629.23944	2.0
633.27112	2.1
647.25092	4.5
648.26318	1.8
655.25781	2.0
673.26355	11.2
675.28809	3.2
691.27612	37.4
692.27814	8.5
733.29803	1.8
751.30389	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64245	0.9
59.01379	97.9
60.01707	1.0
61.98829	35.6
67.01847	1.0
71.01365	1.2
71.53371	1.5
83.01383	1.4
83.05053	1.1
85.02955	1.1
93.03429	1.2
98.20354	1.1
99.04517	2.1
113.55315	0.8
113.72912	0.9
119.04991	1.2
121.02956	98.5
122.03284	2.7
197.06099	1.9
198.06805	1.6
199.07629	2.7
211.07518	1.1
213.09203	4.1
287.19397	1.0
299.10776	2.5
335.16275	1.3
379.18671	1.0
409.20190	1.6
455.24606	1.1
495.20840	1.1
503.24475	1.4
511.23010	3.9
513.22534	3.6
531.23834	100.0
532.24188	19.8
545.25403	2.2
563.26440	12.3
564.26849	2.9
573.24811	14.0
574.24994	2.9
597.24573	1.8
615.25970	44.3
616.26221	10.3
647.28448	6.7
648.28864	1.3
691.27014	2.2
751.37274	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2973
Annotation	Trigohownin F
Peak:m/z	Relative Intensity
57.03485	0.5
59.01384	66.0
60.01716	1.2
61.98833	39.4
68.46732	0.4
71.01385	1.0
72.82018	0.5
73.02953	0.6
75.08232	0.4
83.01414	0.5
83.05058	0.7
85.02975	1.0
87.00893	0.7
93.03429	0.6
99.00893	1.0
99.04531	1.3
101.02413	0.9
111.04520	0.6
119.05017	2.1
121.02962	100.0
122.03311	4.0
131.05028	1.1
133.06586	0.7
147.04492	3.7
151.96445	0.5
159.04471	0.7
159.08185	0.6
197.09663	0.7
199.07635	1.3
207.08023	0.6
209.11783	1.2
213.09268	0.9
215.10646	1.0
218.10571	0.5
225.09155	0.4
236.08429	0.9
237.09082	1.0
277.12177	0.5
289.12405	0.6
317.12106	0.7
391.19000	0.6
409.20132	1.0
434.20148	0.7
451.21185	0.9
473.25348	1.3
477.22690	1.9
493.22479	8.0
494.22607	1.1
495.20013	0.6
503.24185	1.5
513.22522	1.6
519.23920	0.7
531.23877	19.9
532.24377	3.3
537.21167	6.3
538.21783	1.4
545.25543	1.0
549.24927	1.0
555.23877	0.7
561.24854	2.0
563.26489	1.6
569.24280	2.1
570.24097	0.8
573.25049	4.6
574.25494	1.3
575.22784	2.6
615.16443	0.9
615.25989	14.9
616.26373	3.2
617.24005	3.2
629.27722	0.5
631.25763	0.5
647.28137	0.6
648.26294	0.6
659.24994	43.9
660.25244	10.6
677.31512	1.9
691.27545	7.5
692.27814	2.3
719.32141	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76741	2.2
57.43216	2.2
59.01368	7.3
60.03025	2.4
61.60151	2.3
61.98834	21.9
69.68523	13.3
111.89986	2.3
113.20173	2.2
121.03004	2.5
122.52779	2.4
183.01198	25.7
209.11852	2.4
311.16852	100.0
312.17322	4.9
654.25299	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	751.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85685	0.6
59.01380	15.6
60.99313	2.8
61.98829	100.0
64.18399	0.7
69.03446	1.3
71.01385	7.1
72.99323	3.9
75.00870	0.9
81.03461	1.1
83.01383	1.0
83.05042	1.6
85.02936	3.5
87.00849	1.7
87.04515	35.0
88.00397	1.0
88.98807	13.0
89.02450	5.6
93.03484	3.2
95.05016	2.2
97.02958	2.3
99.00883	11.4
99.04539	2.3
99.20233	0.7
101.02448	1.8
107.05042	2.1
109.02964	1.6
109.06602	0.8
110.03697	0.8
111.04514	3.4
113.02443	0.9
115.00365	0.7
119.05025	1.8
121.02953	13.6
121.06592	2.3
123.04547	4.3
125.02474	1.9
127.04006	1.6
131.05052	0.8
134.03770	1.3
135.04550	2.2
137.02419	0.8
137.06117	1.9
139.04008	1.7
147.04515	46.5
148.04828	1.4
149.06064	4.0
150.03224	0.7
151.04025	1.7
159.08133	0.8
161.06079	1.1
163.03954	0.8
163.07550	0.8
165.05566	2.0
167.03596	0.8
175.04059	1.2
177.05547	1.5
179.07176	0.8
187.11319	1.4
193.05063	6.3
194.05879	2.9
195.06436	1.0
199.07654	0.8
203.07164	1.4
205.08708	1.0
207.10315	2.2
209.11868	2.8
211.06210	4.0
211.13464	1.9
225.11391	2.1
227.13051	0.8
233.09702	1.5
245.19032	0.7
253.09155	0.7
254.49991	0.6
277.08755	1.2
290.45596	0.6
307.19141	1.5
349.09030	0.6
411.14771	1.1
455.17178	0.8
473.18155	1.8
491.19180	25.5
492.19797	2.8
499.19781	1.1
525.21027	1.2
531.23834	5.9
532.24725	1.0
563.27319	0.9
573.24957	0.9
585.20746	0.8
615.26306	2.0
629.25488	1.0
655.25781	0.8
673.27478	2.0
719.27258	8.4
720.28052	2.3
749.84222	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55821	2.1
59.01379	65.5
61.98819	16.4
69.03432	4.9
71.01380	35.4
71.05035	2.5
71.27283	4.4
71.27640	2.9
72.99314	11.3
73.02940	6.4
75.00871	5.8
75.14330	2.1
77.46452	2.0
81.03441	3.8
83.01397	3.5
83.05025	3.4
85.02946	27.8
86.11736	2.4
87.00884	5.6
88.98822	3.1
89.02448	7.1
93.03434	2.3
95.05020	5.0
96.96020	11.4
97.02943	37.2
98.20258	4.2
99.00874	81.8
99.04488	4.8
101.02431	9.2
103.00419	2.7
107.01450	2.5
109.02956	4.7
111.00886	5.4
111.04513	9.2
113.02432	8.5
115.00359	3.1
115.04008	100.0
119.03424	2.7
121.02942	8.1
121.06590	5.9
122.06181	2.8
123.04505	9.0
125.02466	6.8
127.04029	4.5
135.04538	6.0
137.02448	5.6
137.06023	4.0
144.28889	2.1
147.04503	5.1
148.05208	3.3
149.06071	9.2
151.00368	5.9
151.03961	5.2
161.06079	2.9
163.07629	2.5
165.05545	9.6
169.10187	2.1
175.07739	2.8
176.03484	5.8
177.01924	9.0
177.03816	2.7
177.05554	2.6
178.99834	3.3
179.03397	4.0
179.07076	2.1
187.11269	6.7
193.05013	8.6
203.07120	3.7
205.26390	2.3
207.03029	5.5
207.10379	2.6
209.11761	3.0
211.06102	3.3
233.00906	13.4
279.12216	2.8
383.08060	2.5
411.07147	10.4
447.16528	3.4
473.18082	15.1
475.19717	3.5
491.19226	72.1
492.19543	10.1
541.11914	6.2
571.21851	3.8
589.22687	7.6
603.31689	11.6
617.21875	4.4
649.38208	2.6
659.23389	91.6
660.23425	17.3
707.32831	3.8
719.17859	13.5
751.20483	3.5
751.34149	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	751.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
57.62928	0.4
59.01376	3.5
60.68501	0.4
61.98828	9.2
67.01884	0.4
68.99812	0.9
69.03458	2.4
69.34135	1.4
69.34563	2.0
71.01383	6.2
72.98704	0.4
72.99311	6.0
73.29739	0.4
75.00857	0.9
79.05523	1.0
81.03452	1.6
83.01376	1.0
83.05048	2.1
85.02946	6.0
87.00881	4.2
87.04527	0.5
88.98798	1.9
91.05563	0.4
93.03461	6.2
95.01392	1.2
95.05006	4.0
97.02957	2.4
97.06609	0.4
99.00880	14.3
99.04545	1.0
101.03994	0.6
103.05534	1.3
105.03490	0.7
105.07079	0.9
106.04232	0.9
107.05036	3.8
108.02207	0.8
109.02962	3.5
109.06611	0.9
111.04515	6.4
113.02452	1.6
115.00400	0.8
119.05024	3.7
121.02956	12.1
121.06570	4.4
122.03745	1.0
123.04526	9.2
125.02452	3.4
127.04001	1.4
131.04990	1.4
133.06580	1.2
134.03728	1.1
135.04550	3.2
137.02423	2.8
137.06090	1.9
139.04018	1.4
143.05022	0.9
145.06606	1.0
147.04518	100.0
148.04845	4.5
149.02489	1.2
149.06081	7.6
150.03238	2.1
150.06444	0.7
151.04021	5.3
157.06584	1.5
159.04486	1.2
159.08119	0.7
161.06094	3.2
161.09750	0.6
163.03987	0.6
165.05559	4.5
167.03473	3.0
167.07117	1.1
171.04460	0.4
171.08133	0.8
171.10266	0.6
173.06071	1.3
175.04005	2.3
175.07596	0.9
176.04797	3.6
177.05550	3.8
179.07187	0.7
182.36009	0.4
185.06038	1.7
187.04204	0.4
187.07613	0.8
187.11266	0.6
193.05051	13.8
193.06830	0.9
194.05830	8.9
195.06503	1.2
199.07663	0.9
203.07127	2.5
205.10469	0.6
207.10237	0.9
209.11824	1.2
211.06090	8.1
211.07918	0.7
211.13358	0.5
212.06395	0.5
214.06236	0.7
215.07051	0.7
217.08743	0.5
223.09691	0.4
225.11317	1.8
232.07291	0.6
233.07700	0.5
233.09758	3.4
237.09071	0.5
243.06813	0.5
263.10751	0.7
277.08716	1.5
279.06708	0.5
279.10178	0.4
291.10547	0.5
291.19528	0.7
295.09833	0.5
377.14166	0.5
393.13559	0.6
411.14539	1.0
419.15015	0.6
437.16251	1.0
455.17285	0.5
473.18268	0.9
491.19388	1.0
509.72794	0.4
529.18878	1.0
541.19086	0.6
555.20306	0.5
557.21899	1.1
559.19659	8.2
560.20398	1.2
567.20111	0.8
585.21222	4.8
586.21869	0.9
603.22339	0.9
604.21704	0.7
611.21973	0.8
650.80084	0.4
661.24670	0.8
689.23816	3.6
690.23889	0.6
707.24957	3.0
708.25610	0.6
715.24933	3.6
716.25916	0.6
719.26654	0.8
733.26495	9.1
733.38568	0.8
734.26440	2.3
751.27612	5.4
751.39587	0.8
752.28345	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.2
60.01710	0.2
61.01792	0.2
61.98829	100.0
62.98540	0.3
71.01390	0.7
71.52620	0.2
72.99318	1.0
75.00871	6.6
83.05009	0.4
85.02946	3.3
86.03299	0.3
87.00879	0.2
93.03475	0.4
95.05044	0.2
97.02954	0.3
99.00880	0.8
99.04510	1.7
101.02483	0.3
107.05039	0.3
109.02957	0.2
111.04526	0.7
113.02497	0.3
119.05015	0.2
121.02949	0.7
121.06631	0.3
123.04539	0.2
127.04043	0.2
131.05022	0.3
133.06592	0.2
137.06142	0.2
147.04518	5.9
147.05673	0.4
148.04832	1.0
149.06113	0.4
150.53651	0.2
150.94934	0.2
151.04008	0.3
161.06140	0.4
161.09738	0.2
165.05600	0.3
167.03596	0.2
171.10304	0.2
193.05101	0.6
194.05795	0.3
203.07156	0.2
211.06116	0.3
211.13187	0.2
225.11308	0.3
277.21753	0.2
372.48599	0.2
397.13522	0.5
629.14203	0.2
639.29413	0.3
642.18469	0.2
687.31952	0.9
688.32910	0.2
690.33057	0.3
691.31537	0.2
715.31427	3.1
718.25812	3.1
719.26385	0.5
733.27008	0.2
750.30524	0.7
751.28546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47957	0.1
59.01378	2.7
61.98830	100.0
64.83633	0.1
68.70828	0.1
70.70887	0.3
70.71246	0.3
71.01391	0.4
81.03413	0.1
85.02950	1.4
88.98825	0.2
96.96013	0.2
99.04502	0.6
109.06610	0.1
121.02938	0.3
147.04535	0.5
209.11778	0.3
227.12889	0.1
306.59894	0.1
398.60718	0.1
473.25723	0.2
484.51120	0.1
493.22733	0.2
495.23996	0.8
515.26581	0.2
537.21393	0.1
553.25623	0.1
556.26611	0.2
579.25854	0.7
595.25525	0.2
623.24982	3.4
655.27515	0.8
677.32172	0.3
687.31451	0.1
715.29602	0.1
719.32886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06376	0.1
55.13556	0.1
59.01376	0.4
61.98829	100.0
62.98543	0.2
69.62110	0.8
70.30663	0.1
98.19904	0.3
98.32493	0.1
99.04498	0.8
101.02452	0.4
121.02930	0.2
136.77013	0.1
145.85846	0.1
147.04541	0.6
211.25378	0.1
266.47928	0.1
404.11469	0.1
527.26520	0.3
569.27728	0.2
611.28418	0.3
655.27911	0.4
687.30450	0.7
688.30200	0.2
751.26044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.6
61.98830	100.0
62.98515	0.2
68.99551	0.2
71.01382	0.5
71.53053	0.1
75.00860	0.2
76.67039	0.2
78.95921	0.2
79.95721	0.2
85.02962	0.9
87.00851	0.2
88.98821	0.3
93.03471	0.2
96.96017	0.9
99.00906	0.2
99.04524	1.9
99.49171	0.2
101.02463	0.4
101.06072	0.4
116.92877	0.6
121.02951	1.0
132.78667	0.1
142.28741	0.2
147.04535	0.3
171.10196	0.2
199.07574	0.2
209.11800	0.6
211.13416	0.3
427.21414	0.2
436.90771	0.2
482.26163	0.2
509.25381	1.5
510.25766	0.4
541.27997	0.4
551.26239	1.0
583.29639	0.3
587.92914	0.2
627.28381	0.6
646.27161	0.2
687.29968	1.0
688.31232	0.3
750.35675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	3.0
63.96233	1.6
66.88533	0.9
71.01381	8.5
73.02943	1.7
78.95894	4.9
78.98590	5.6
79.95735	11.2
80.96516	66.7
85.02937	2.9
87.00871	3.1
94.98080	14.6
96.95988	1.4
97.02926	1.2
101.02458	3.1
106.98080	2.6
122.97569	4.8
125.02452	2.2
127.03993	1.1
134.97586	4.9
136.99202	1.0
137.10553	0.8
148.98099	1.1
148.99149	6.0
152.98587	4.3
152.99646	1.6
164.98595	11.8
194.90033	5.5
196.89449	2.1
206.99695	2.4
211.13571	1.8
225.00720	17.4
226.00949	0.9
229.26372	1.0
255.23282	5.0
309.90012	1.0
493.17206	1.8
749.41486	100.0
750.41479	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	750.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
58.02975	3.2
59.01383	3.5
70.02982	1.6
71.01384	6.0
71.53746	0.6
72.00908	0.8
84.90606	0.4
85.02957	1.2
88.04043	64.6
89.04391	0.8
91.05519	2.7
96.96013	0.7
99.04552	0.9
101.02450	0.8
114.01967	5.3
115.00379	13.9
117.03406	0.5
125.02446	0.6
132.03029	91.9
133.03328	1.5
134.06133	0.9
135.04546	3.6
147.03014	0.4
147.03429	0.4
147.04495	3.2
149.06058	1.1
161.02464	1.5
161.04527	0.5
163.08014	0.5
164.07159	9.3
165.07547	0.5
175.02432	0.7
189.08659	0.4
194.71495	0.4
206.08215	20.8
207.08574	0.6
233.38089	0.4
237.04031	0.5
250.07195	100.0
251.07587	4.6
251.09744	0.5
273.81445	0.4
274.40945	0.4
337.05557	2.3
365.14233	0.7
395.54956	0.4
444.13501	0.5
499.10922	6.0
500.11551	0.9
632.05646	0.5
687.51807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13411	0.1
59.01381	100.0
60.01727	0.9
61.64146	0.1
61.98833	21.0
65.08205	0.2
71.01386	1.4
71.44384	0.2
72.99312	0.2
73.02949	0.3
75.00890	0.4
78.95944	0.2
82.95441	0.5
83.05030	0.2
85.02969	0.6
88.98801	0.3
89.02470	0.2
94.67947	0.2
96.96024	0.7
99.04549	0.7
101.02469	0.5
109.06608	0.2
112.98586	0.2
113.02460	0.5
116.92878	1.0
117.01928	0.2
121.02957	2.0
133.06572	0.3
147.04515	1.4
152.20258	0.2
161.04617	0.3
171.10284	0.2
176.34709	0.2
207.10405	0.3
209.11826	3.2
210.12338	0.2
210.25232	0.2
211.13387	3.0
212.13802	0.3
225.11400	0.3
227.12944	0.5
235.08260	0.2
253.09386	0.3
291.19705	0.2
364.42255	0.2
447.22592	0.4
455.31842	0.3
477.48013	0.2
629.37299	0.7
630.38110	0.2
647.38342	0.7
648.39948	0.2
665.26697	0.4
671.31134	0.3
689.29480	0.3
689.40460	0.9
690.40692	0.4
717.26556	0.3
749.33099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
55.49369	1.0
56.08851	1.0
56.22209	1.0
57.03447	1.7
59.01380	100.0
60.14390	1.1
61.98828	92.7
70.28707	1.4
70.29029	2.6
71.01385	5.6
72.99326	1.3
73.02956	2.0
75.00882	2.5
76.54884	1.1
83.01403	4.3
83.05067	1.9
85.02961	6.5
87.00874	2.5
87.92889	1.0
88.98828	1.3
95.05049	1.2
96.96020	3.3
97.02944	1.5
98.20304	2.3
99.00891	3.7
99.04521	75.9
100.04855	1.2
101.02456	2.5
103.04012	1.2
116.92855	4.8
120.99667	8.8
121.02966	6.3
121.06517	1.5
131.08664	1.7
132.49850	1.2
133.06657	1.3
135.08145	1.1
147.08075	1.3
158.07431	1.1
160.05330	1.7
161.06079	1.5
171.10400	1.2
189.09157	1.6
199.07605	1.3
201.09332	1.4
201.11327	1.5
209.11790	5.8
215.10753	2.8
233.36757	1.0
241.08891	1.2
253.12587	1.3
279.13968	1.1
282.16025	1.2
295.15601	1.6
297.02856	1.0
367.19211	1.6
402.24951	1.2
403.21036	1.9
411.21860	1.8
427.20816	1.4
455.20511	2.6
473.21912	2.9
511.27344	2.1
527.26001	1.4
537.24762	6.5
538.25391	1.1
539.22888	3.0
543.31586	1.9
553.24670	3.3
555.25958	96.6
556.26294	17.1
569.27551	8.0
571.25397	11.9
572.25220	1.9
579.26141	3.9
589.26508	1.9
593.27393	2.5
595.29205	1.8
597.26843	16.4
598.27271	3.1
611.28723	2.4
621.26477	1.9
639.28046	37.6
640.27966	6.3
653.29846	3.9
657.28784	1.9
671.30804	9.9
750.31537	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	749.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.7
59.01380	100.0
61.98832	85.6
68.99576	1.8
71.01379	14.4
72.99316	5.1
73.02962	4.7
75.00876	4.7
78.95953	1.7
79.34747	1.5
83.01402	3.1
83.12598	1.5
85.02942	9.0
87.00889	3.0
88.98802	4.6
89.02464	2.7
96.96000	18.5
97.02959	6.7
99.00895	7.8
99.04521	51.0
101.02453	4.5
103.28307	1.6
112.98585	1.9
113.02480	3.5
114.05602	4.9
115.00408	2.1
115.04025	16.1
116.92876	1.7
119.05066	2.0
120.99685	3.9
121.02937	12.0
122.08428	1.9
125.02447	3.0
134.91606	1.5
136.83067	1.7
147.04544	21.3
163.11214	2.3
171.10275	5.9
179.00172	1.6
197.09563	2.0
207.10287	2.4
209.11827	16.1
211.13408	3.7
212.13864	1.6
225.11293	2.1
461.20044	1.7
501.30701	4.5
509.25760	2.0
537.24890	7.9
545.33405	2.4
553.25684	2.5
555.25940	43.1
556.26215	10.0
560.85651	2.7
569.27460	5.9
571.25525	5.5
579.25989	16.2
580.25964	3.2
597.27203	10.3
599.28400	2.6
606.20056	2.3
611.28247	8.5
612.28961	2.2
629.29138	2.7
639.28357	19.4
640.28583	5.0
653.30530	2.3
671.30933	6.4
744.80396	2.0
749.29016	7.6
750.30298	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	749.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.8
61.98830	47.2
63.66228	0.5
69.03457	0.8
71.01378	1.9
72.99322	1.7
75.00856	4.4
85.02951	9.9
87.00889	1.1
87.04523	1.0
93.03463	1.2
98.20290	3.8
99.00886	1.8
99.04546	1.7
101.02455	0.8
103.05538	1.8
105.01936	9.6
106.04302	0.6
112.98576	1.3
119.05032	3.2
121.02969	3.7
121.06655	0.8
125.02481	1.2
130.04344	0.6
131.05019	1.3
133.06570	1.2
144.06674	2.5
145.06592	0.8
147.04524	100.0
148.04837	3.8
148.83197	0.6
149.06079	1.0
161.09698	1.2
165.53143	0.6
187.11284	2.3
188.58682	0.5
193.05061	0.8
207.10532	0.6
209.11795	0.9
211.06070	0.8
211.13319	0.7
234.76509	0.7
269.82901	0.7
291.19830	0.6
557.25830	0.8
671.24579	0.7
698.39771	0.7
705.30743	9.3
706.31049	2.4
717.25580	7.6
718.26068	2.0
749.29602	52.6
750.29840	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	749.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72962	0.1
59.01379	100.0
60.01708	1.0
61.98832	0.8
71.29214	0.1
121.02958	2.7
122.03310	0.1
132.78737	0.1
163.74431	0.1
213.35585	0.1
447.21899	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	749.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62300	1.3
59.01378	100.0
61.98829	42.8
69.66026	1.3
70.81194	1.3
71.01377	10.3
72.99317	2.7
73.02953	4.5
83.01397	4.2
83.05061	1.6
84.05019	1.3
85.02942	6.4
87.00877	3.1
88.98795	4.7
89.02426	4.2
90.19267	1.2
90.28381	1.3
93.03471	2.0
96.96010	18.2
97.06589	1.5
97.96848	1.4
99.00854	3.0
99.04517	77.8
100.04852	2.1
101.02420	5.2
109.06571	1.9
113.02483	2.0
115.00352	1.5
116.92872	2.1
121.02948	3.5
123.36043	1.6
147.04524	2.6
159.08043	1.6
159.19241	1.4
160.05365	2.7
161.04591	1.2
171.10251	5.7
171.11543	1.4
175.02557	1.6
182.57990	1.5
183.08124	1.3
189.09140	1.6
201.11296	4.7
207.10234	6.1
209.11803	19.5
213.09222	1.7
215.10695	2.1
225.11198	7.3
227.12814	3.7
253.09297	2.1
295.15573	1.7
411.21841	2.3
455.20828	2.2
457.24179	3.0
461.19843	1.7
501.30206	2.9
509.25314	2.5
511.26855	3.2
537.24854	6.2
539.22461	3.7
543.31726	3.3
553.24713	2.5
555.25940	98.8
556.26361	17.3
557.24115	2.1
569.27374	9.9
571.25793	10.6
572.25562	3.0
593.27557	2.2
597.26910	14.5
598.27246	3.2
609.18817	1.8
611.28455	3.1
621.26819	3.0
639.28021	39.3
640.28491	10.0
653.29926	6.4
657.29236	1.8
659.27490	1.6
671.30975	10.3
672.30963	3.9
749.37195	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	749.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
57.03442	0.6
59.01380	2.0
61.98827	3.6
63.12998	0.3
65.03957	0.3
68.99804	0.7
69.03461	1.8
71.01382	8.7
71.07470	0.3
72.99315	3.4
73.02942	0.5
75.00881	1.2
75.42664	0.3
75.43079	0.2
79.05527	0.9
81.03472	0.9
83.05040	1.4
85.02951	100.0
86.03274	1.5
87.00875	1.8
93.03458	3.6
95.01375	0.4
95.05026	3.5
97.02935	1.7
97.06590	0.4
99.00881	20.5
99.04518	1.0
100.01229	0.4
101.02441	0.9
103.00387	1.2
103.05541	1.4
105.07096	0.4
106.04243	0.3
107.05032	1.8
108.02195	0.7
109.02969	2.5
110.21200	0.3
111.04530	5.2
113.02462	1.2
115.00377	0.6
119.05016	2.1
121.02957	6.3
121.06593	2.6
122.03754	0.4
123.04522	3.8
123.08149	0.4
125.02413	1.6
127.03973	1.4
131.05009	0.6
133.06593	0.9
134.03725	0.5
135.04535	2.0
137.02449	0.8
137.06093	1.8
139.04021	1.7
141.79573	0.3
143.05043	0.4
143.08672	0.3
145.06557	0.4
147.04521	41.8
148.04855	1.8
149.02435	0.8
149.06079	3.9
150.03253	0.8
151.04022	2.5
151.07710	0.5
153.05574	0.4
157.06525	0.5
159.04521	0.7
159.08142	0.3
161.06064	1.6
164.00920	0.3
165.05579	2.6
167.03477	1.5
167.07123	0.9
171.08160	0.8
173.06032	0.7
173.09811	0.3
175.03998	1.1
175.07600	0.6
176.04770	1.4
177.05553	2.1
179.07198	0.6
185.06055	0.8
185.09697	0.3
187.07616	0.5
187.11276	0.5
189.05673	0.4
189.09157	0.3
193.05037	5.6
194.05820	3.7
197.06151	0.3
199.07709	0.7
203.07188	1.4
211.06133	4.2
211.07962	0.3
215.07199	0.4
215.10736	0.4
217.08693	0.7
221.08421	0.4
225.09164	0.3
231.10236	0.3
241.08766	0.3
245.08495	0.4
261.07651	0.5
289.12494	0.4
309.11441	0.4
381.13367	0.6
393.17276	0.3
411.14377	0.7
425.15967	0.4
429.15677	0.5
436.19608	0.3
437.16141	1.0
455.17282	1.4
467.17123	0.3
473.18167	2.2
474.18872	0.4
483.16226	0.5
495.19757	0.4
497.18173	1.8
498.18481	0.4
505.18884	0.8
515.19360	0.4
523.19708	1.5
541.20874	2.4
549.21130	0.4
559.21906	0.5
585.21271	0.4
587.22937	0.3
603.21899	0.5
611.14447	0.3
627.22552	0.9
640.63513	0.3
645.23590	0.8
653.24005	0.8
671.25134	2.4
672.25391	0.7
689.26703	1.3
717.25574	11.2
718.25977	2.2
732.30176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
59.01381	12.1
59.08963	0.5
59.46158	0.4
59.88418	0.4
61.98830	12.2
65.20641	0.4
68.38779	0.5
68.99825	0.8
69.03456	2.7
69.13890	5.0
70.24413	0.4
71.01379	7.1
72.99313	3.3
75.00863	0.7
79.05511	1.0
81.03460	1.0
83.01386	1.3
83.05044	1.6
85.02953	100.0
85.47450	0.5
86.03294	2.0
87.00879	2.6
88.98827	0.6
93.03464	3.0
95.01386	0.5
95.05049	2.6
96.96048	0.5
97.02944	1.9
99.00887	16.1
99.04533	2.8
101.02446	6.9
103.00340	0.5
103.05540	1.5
106.04253	0.5
107.05017	1.2
109.02974	2.7
111.04510	4.9
113.02449	1.3
115.00368	0.6
119.05035	2.0
121.02960	7.9
121.06615	2.7
123.04530	3.9
123.08154	0.8
125.02438	1.8
127.04003	1.3
131.05058	0.9
133.02963	0.5
133.06583	1.3
134.03767	1.2
135.04547	2.6
137.02429	1.1
137.06065	2.2
139.03996	1.0
147.04524	58.6
148.04768	2.2
149.06075	4.8
150.03207	1.1
151.04037	2.2
153.05551	0.8
159.04562	0.7
161.06075	1.8
163.04008	0.5
163.07658	0.7
165.05569	2.1
167.03502	2.1
167.07138	0.9
171.08197	0.6
173.06059	0.5
173.09810	0.6
175.03998	1.0
176.04794	1.4
177.05566	1.8
179.03569	0.7
179.07101	1.1
185.06044	0.9
189.09203	0.5
193.05042	7.0
194.05844	2.8
195.06589	0.8
199.07590	0.7
203.07162	1.3
209.11842	1.6
211.06107	3.6
215.07080	1.3
217.08638	0.5
253.09135	0.6
306.20218	0.5
371.91061	0.4
411.14471	0.6
425.16290	0.6
437.15976	1.1
455.17270	1.3
456.17780	0.5
473.18271	2.1
497.18213	1.7
515.19244	0.7
523.19720	1.9
541.20782	2.7
559.21661	3.0
587.21259	8.4
588.21588	0.9
627.22131	1.2
645.24023	0.9
653.23511	1.1
667.31470	0.9
671.25061	2.5
672.25482	1.1
683.71155	0.6
689.26331	2.4
711.30280	1.0
713.26312	0.9
717.25391	15.9
718.25732	3.2
749.33923	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91842	0.8
56.03283	0.8
57.03430	1.0
59.01372	8.9
61.98828	24.0
68.99551	1.5
69.03455	1.6
69.16929	3.5
69.17352	5.4
71.01376	8.0
72.99306	8.2
73.02934	0.9
73.55720	0.9
75.00874	2.9
81.03478	1.9
83.01378	1.4
83.05035	2.7
85.02950	100.0
85.64465	0.8
86.03293	1.2
86.09784	0.8
87.00871	3.7
89.14284	0.7
93.03458	6.2
95.05042	3.6
97.02947	3.2
98.20275	4.7
99.00878	16.1
99.04521	2.6
101.02444	3.2
103.05527	1.5
107.05031	2.9
109.02940	3.6
111.04517	11.7
112.98557	1.5
113.02447	2.7
119.05009	3.4
121.02956	11.9
121.06582	3.7
123.04531	6.1
125.02465	4.6
127.04017	4.5
131.05054	1.2
133.06664	1.0
134.03647	1.1
135.04506	2.5
137.06067	2.5
139.03999	2.7
147.04518	76.4
148.04831	3.1
149.02513	1.2
149.06061	6.2
150.03178	1.0
151.03987	4.0
159.04507	1.3
161.06093	2.9
165.01846	1.2
165.05525	4.8
167.03419	3.4
175.04054	1.8
193.05049	10.8
194.05789	2.5
203.07133	1.0
209.11803	1.5
211.06117	6.8
273.41916	0.8
295.61234	0.9
320.92035	0.8
437.16190	1.1
455.16974	1.3
473.18311	4.3
497.17963	2.8
505.18616	1.8
523.19684	2.3
531.23767	1.8
541.20691	3.1
559.22058	2.0
587.20905	1.1
593.14038	0.9
602.86017	0.9
645.23218	1.8
652.21735	3.1
653.23523	2.1
671.25232	6.1
672.25653	1.0
689.25763	2.6
717.25470	76.0
718.25824	15.7
749.29425	7.9
750.30194	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96759	0.2
59.01379	19.4
60.01713	0.8
61.98830	100.0
62.98531	0.4
63.51245	0.2
65.01056	0.2
71.01373	0.3
73.02919	0.2
73.66924	0.2
75.00887	0.4
83.14175	0.2
85.02954	0.6
88.98798	0.4
96.96015	0.4
99.04521	5.9
99.94440	0.2
100.04809	0.2
103.00414	0.2
103.08041	0.2
121.02950	1.3
147.04549	0.9
156.75746	0.2
218.36504	0.2
220.14746	0.2
221.15421	0.4
236.10568	0.3
255.33768	0.2
357.64160	0.2
561.00269	0.2
567.26361	0.2
609.29816	0.3
673.30750	0.5
685.28467	2.1
686.29401	0.3
689.29926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	17.9
60.01712	0.8
61.98830	100.0
62.98534	0.4
70.25360	0.2
71.01389	0.3
71.70103	0.2
75.00871	0.3
85.02966	0.4
88.98822	0.2
96.96013	0.4
98.20691	0.3
99.04520	6.0
101.02420	0.2
110.66638	0.2
114.18024	0.2
121.02959	1.5
138.83649	0.2
147.04538	0.9
175.57782	0.2
209.11848	0.4
221.15526	0.5
236.10693	0.5
253.20038	0.2
293.17709	0.4
296.17523	0.2
373.97168	0.2
500.78943	0.2
511.80124	0.2
567.26514	0.3
605.80707	0.2
647.29468	0.3
673.30914	0.3
685.28357	2.0
686.30151	0.3
689.29907	0.3
749.32776	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32990	0.4
57.03452	0.6
59.01379	31.0
60.01711	0.4
61.98829	100.0
71.01377	1.9
72.99293	0.6
73.02963	0.5
75.00891	1.0
81.03469	0.6
83.05032	1.1
85.02944	2.5
87.13107	0.4
88.98813	1.5
93.03444	0.9
95.05048	0.8
98.19883	1.0
98.20595	1.6
99.00870	3.8
99.01338	0.3
99.04517	10.9
101.02473	0.5
101.06093	0.7
107.05055	1.2
109.02941	0.7
109.06586	0.8
110.17563	0.4
111.04545	1.3
116.92884	0.7
121.02960	5.7
121.06583	0.8
123.04527	0.9
127.04026	0.7
133.06587	2.7
135.04561	1.9
135.08110	0.5
137.06140	0.6
139.04071	0.5
141.05562	0.5
145.06622	0.5
147.04547	1.9
149.06075	0.7
151.04066	0.6
155.08717	0.6
156.05791	0.8
157.06618	0.4
159.08195	0.6
161.09789	0.6
163.07678	1.0
167.07153	0.8
171.08090	2.2
173.06142	0.5
173.09735	1.1
175.07683	0.5
176.04840	0.4
177.05682	0.6
187.07675	0.6
187.11282	0.8
188.08473	0.4
189.09238	3.2
193.05151	0.8
194.05817	0.9
205.08797	0.5
209.11761	2.9
211.06152	1.4
211.11404	0.6
211.13391	3.3
213.09184	1.9
215.07251	0.7
215.10675	2.7
233.08197	3.4
245.11777	1.2
247.09705	3.5
379.19235	0.8
381.17233	0.4
407.18726	1.5
411.14557	0.4
425.19644	0.6
439.21323	1.8
455.17468	0.8
467.21179	0.6
473.18372	1.4
485.21912	1.7
499.23419	2.0
527.22949	1.1
549.24884	1.0
557.27686	1.2
559.25842	0.6
567.26215	1.0
581.28040	0.5
599.28943	1.3
609.29803	2.6
610.31091	0.4
628.32239	0.8
641.29761	3.4
642.31366	0.7
646.31256	1.2
647.15735	0.4
656.28589	0.5
658.28986	0.5
671.25427	0.9
673.30280	0.9
685.28595	29.6
686.28760	5.5
689.26880	1.3
717.25714	1.3
748.32068	0.4
749.29181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01717	1.8
61.98832	3.5
71.01404	1.1
73.02945	5.1
75.00869	1.0
78.95901	2.2
83.05024	1.1
89.72366	0.5
97.06613	0.9
99.04520	57.1
99.92606	2.3
100.04894	1.4
104.44952	0.4
105.64189	0.4
108.35995	0.5
116.92860	14.9
117.01954	4.1
117.05586	0.5
117.92880	1.1
121.02957	9.6
129.57393	0.5
147.04527	8.8
148.04872	0.7
152.99658	0.8
179.26125	0.6
201.11345	0.7
209.11795	0.6
227.66365	0.5
229.20534	0.5
237.06885	0.6
258.01929	0.5
264.91367	0.6
268.89291	0.5
355.02728	0.5
389.27118	1.1
403.28598	1.2
427.28778	0.7
445.29578	0.6
457.21472	0.5
463.30774	2.5
464.31186	0.8
487.30591	0.6
505.31827	2.8
506.32410	0.6
545.34949	0.7
563.18658	0.9
563.26514	13.0
563.34869	0.9
564.27167	2.3
567.23901	0.8
569.35077	1.6
587.35779	5.8
588.36267	0.7
605.28033	1.3
611.36200	0.6
627.26355	1.2
629.36926	38.7
630.37207	6.7
650.23859	6.3
651.24866	1.2
747.30145	4.0
748.30182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.6
60.01725	0.1
60.30834	0.1
60.59230	0.1
61.98831	100.0
62.87778	0.2
69.39931	0.3
69.40342	1.1
71.01383	0.5
72.78519	0.1
75.00896	0.2
83.05071	0.3
85.02971	0.3
87.71710	0.1
88.98824	0.8
96.96025	0.3
99.04523	3.3
107.05047	0.3
109.05868	0.1
111.04549	0.2
112.04829	0.2
119.05028	0.2
121.02943	0.9
135.04562	0.4
147.04509	1.2
168.77901	0.1
185.09645	0.2
202.65010	0.2
209.11823	2.6
209.13530	0.2
211.11443	0.3
211.13344	2.1
227.12923	0.4
233.52571	0.2
250.00580	0.1
253.09328	0.3
259.39725	0.1
354.90540	0.2
379.19434	0.2
397.20346	0.2
439.21683	0.3
445.20786	0.2
467.20966	0.2
485.21878	0.3
488.71713	0.1
527.23517	0.5
591.03333	0.2
641.30121	0.2
653.26563	0.3
654.26141	0.2
666.31567	0.2
673.30389	1.0
685.28735	3.0
685.40009	0.2
686.29657	0.7
705.33600	0.3
748.36377	0.6
749.32581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01717	1.8
61.98832	3.5
71.01404	1.1
73.02945	5.1
75.00869	1.0
78.95901	2.2
83.05024	1.1
89.72366	0.5
97.06613	0.9
99.04520	57.1
99.92606	2.3
100.04894	1.4
104.44952	0.4
105.64189	0.4
108.35995	0.5
116.92860	14.9
117.01954	4.1
117.05586	0.5
117.92880	1.1
121.02957	9.6
129.57393	0.5
147.04527	8.8
148.04872	0.7
152.99658	0.8
179.26125	0.6
201.11345	0.7
209.11795	0.6
227.66365	0.5
229.20534	0.5
237.06885	0.6
258.01929	0.5
264.91367	0.6
268.89291	0.5
355.02728	0.5
389.27118	1.1
403.28598	1.2
427.28778	0.7
445.29578	0.6
457.21472	0.5
463.30774	2.5
464.31186	0.8
487.30591	0.6
505.31827	2.8
506.32410	0.6
545.34949	0.7
563.18658	0.9
563.26514	13.0
563.34869	0.9
564.27167	2.3
567.23901	0.8
569.35077	1.6
587.35779	5.8
588.36267	0.7
605.28033	1.3
611.36200	0.6
627.26355	1.2
629.36926	38.7
630.37207	6.7
650.23859	6.3
651.24866	1.2
747.30145	4.0
748.30182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30911	0.5
58.60443	0.5
59.01380	100.0
60.01725	1.6
61.01794	0.8
61.98831	4.8
69.19493	2.6
69.19916	2.4
73.02938	7.7
75.00875	0.7
78.95919	1.6
85.02965	0.6
98.19927	0.9
99.00888	1.0
99.04520	22.8
99.92587	6.1
100.04886	0.6
116.92860	46.2
116.97268	0.5
117.01942	12.0
117.92857	2.5
121.02956	18.3
147.04561	1.7
152.99635	0.8
188.40494	0.5
196.03073	0.6
237.06752	0.8
287.88596	0.6
365.27051	0.7
463.31152	0.6
505.31937	0.8
563.26483	27.9
564.26874	5.5
587.36096	2.3
588.36749	0.7
605.27502	4.7
606.27887	1.0
621.23737	0.7
629.36920	16.1
630.37567	2.6
650.23749	4.6
651.24451	0.7
747.29736	2.9
748.31207	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	747.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01715	1.0
61.98833	4.9
71.01389	1.8
72.99320	0.5
73.02966	0.3
84.31532	0.2
85.02994	0.3
96.95997	0.3
98.19980	0.9
98.20660	0.6
99.00879	5.1
99.04519	10.8
109.84866	0.3
119.05027	0.4
121.03004	0.4
142.83798	0.3
147.04526	11.2
148.04857	0.7
173.06059	0.3
199.07742	0.3
211.07565	0.3
217.08691	0.4
240.77779	0.2
243.10252	0.4
263.97629	0.3
357.20758	0.6
375.21893	0.7
431.20877	0.5
437.19492	0.3
457.22540	1.0
495.23871	0.9
539.26526	0.5
545.96729	0.3
569.29248	0.6
587.30255	1.6
588.30951	0.4
615.29626	0.9
625.28302	1.1
633.27307	0.3
641.31390	1.1
643.29059	3.6
644.29645	0.7
651.29559	0.8
652.30438	0.3
659.32715	0.4
669.30646	5.6
670.31128	1.0
687.31696	14.4
688.32220	3.2
715.29858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98473	0.6
59.01379	100.0
61.98830	43.3
68.35236	0.6
69.03449	3.9
70.93245	0.6
71.01383	1.2
71.11855	0.6
71.52663	0.7
71.53044	0.9
71.95613	0.7
81.03455	2.0
83.05029	3.4
85.02954	1.6
95.01431	0.8
95.05038	0.9
97.02962	1.5
99.00890	1.4
99.04514	5.4
107.05044	2.1
109.02972	0.8
109.06593	1.4
111.04529	1.8
113.78770	0.6
119.05060	1.3
121.02950	12.3
121.58002	0.6
122.03308	0.7
141.05545	0.9
145.06641	1.8
147.04521	51.4
148.04828	1.5
149.06055	0.9
152.42218	0.7
157.06578	0.8
165.01982	0.7
183.28114	0.6
189.05626	1.2
203.10757	0.8
209.11821	15.1
210.12236	1.0
227.12878	0.8
241.12228	0.7
253.09309	1.1
283.91339	0.7
338.99631	0.6
435.22049	1.4
501.22568	0.7
575.26801	1.9
583.27368	1.9
599.27289	0.8
601.28326	2.6
617.27527	8.9
618.28430	2.8
619.27179	1.4
627.26331	1.1
643.29175	8.2
644.29303	1.8
645.27069	5.1
646.27869	0.8
661.28564	2.2
663.28589	2.6
687.28687	1.4
705.29279	5.3
706.29797	1.2
747.29633	4.6
748.17133	0.7
748.31482	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	747.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52411	0.8
53.32347	0.7
54.39762	0.6
57.03443	1.0
59.01379	100.0
60.01719	2.1
60.94003	0.7
61.53340	0.6
61.98830	51.5
67.38198	0.7
68.99844	0.9
69.03461	2.6
69.23192	1.7
69.23613	4.7
71.01386	13.2
71.05024	1.7
72.99314	5.4
73.02938	1.5
75.00865	1.0
79.95720	0.7
81.03457	1.2
83.05015	2.9
83.33504	0.6
85.02949	11.7
87.00879	2.3
88.98803	2.8
93.03461	3.1
95.01387	1.4
95.05034	2.1
96.96014	7.3
97.02944	10.9
98.20616	1.3
99.00877	12.2
99.04520	15.7
99.92587	1.1
100.04845	0.8
100.06321	0.7
101.02435	2.8
103.00375	1.6
103.67353	0.6
107.05042	1.7
109.02955	2.0
111.04518	8.7
113.02445	2.9
114.05589	1.7
115.00399	2.6
115.04014	20.5
116.92857	6.5
117.05572	2.0
119.05044	1.3
121.02950	9.6
121.06620	2.1
123.04542	4.1
125.02474	3.2
127.04005	2.5
131.05034	0.9
135.04535	1.4
137.02441	0.9
137.06070	1.8
139.03983	2.4
147.04514	26.1
148.04848	2.4
149.02348	0.8
149.06064	3.0
151.03969	2.6
161.06081	1.6
165.05539	2.7
167.03549	1.7
167.27344	0.7
175.04008	1.3
177.05589	1.4
178.53557	0.7
183.79572	0.8
187.11243	0.9
193.05081	3.6
201.11275	1.8
209.11888	4.4
211.06097	1.6
211.13380	1.0
213.09207	1.0
223.13348	2.0
427.21387	0.9
442.10596	0.7
455.24277	1.1
497.25650	0.9
509.25296	2.4
511.23386	1.3
535.19507	2.4
539.26556	5.8
540.26849	1.3
573.27222	0.8
593.27319	2.9
611.28290	2.6
629.29053	0.8
633.26447	1.1
637.31146	0.9
643.31329	4.1
655.30353	1.3
669.30121	1.3
684.30695	0.9
687.29938	1.8
747.26355	48.5
748.27161	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	747.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01379	45.5
59.59295	0.6
59.78057	0.6
61.98831	19.0
67.63599	0.6
69.16159	6.9
71.01009	0.6
71.01392	1.9
78.95913	0.9
83.03695	1.0
83.05025	3.0
85.02965	1.8
93.03461	0.8
96.96030	6.5
99.04520	72.5
100.04812	1.1
107.05016	1.3
109.06571	0.9
111.04504	1.0
119.05013	1.3
121.02956	100.0
122.03304	3.6
125.02402	0.7
125.09708	1.2
133.06592	2.4
135.04564	3.1
139.12076	0.7
141.01707	4.1
144.05827	0.7
145.02924	0.8
147.04478	3.0
154.82137	0.6
159.08183	0.9
163.04118	0.8
173.06053	0.7
175.07539	0.7
187.09671	1.0
209.11716	0.8
225.11217	0.9
277.21487	0.7
298.33466	0.6
341.13998	0.9
379.18976	1.5
501.22253	1.3
529.22241	1.4
533.25281	1.4
567.25452	0.9
571.23163	2.3
589.24341	2.5
601.27759	0.9
629.27136	3.9
630.27887	1.1
661.30432	4.4
671.28455	3.5
699.87195	0.7
703.31238	12.6
704.31702	3.3
711.28326	0.7
715.28137	1.2
747.16528	1.0
747.30109	21.9
748.30426	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	747.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01702	1.0
61.98828	5.8
65.16673	0.8
70.82509	1.2
70.82838	1.1
87.97625	0.9
93.71590	0.9
111.05499	0.8
192.09502	0.9
455.17151	2.9
473.18326	3.5
474.18958	1.1
496.13937	3.0
511.16299	2.3
512.13275	9.8
513.13348	3.0
525.14081	1.3
526.14954	12.1
527.15363	3.4
569.17059	1.7
586.17126	1.1
600.18335	1.3
601.19501	5.0
613.19556	1.8
614.20172	74.9
615.20343	19.2
632.17267	2.4
641.57477	1.0
646.19312	10.0
647.19397	2.8
650.23615	2.5
665.90381	0.9
673.21661	0.9
687.22455	5.1
688.23700	2.0
747.25171	63.8
748.25409	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	747.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	4.4
57.87973	1.4
59.01368	12.9
69.03991	1.2
69.19408	2.0
69.19804	11.3
71.01387	8.8
72.99297	1.9
74.15506	1.3
75.00884	1.5
79.73419	1.3
83.01386	4.6
85.02949	6.9
87.00867	4.9
88.04070	2.0
89.02419	2.9
95.01385	2.0
99.00870	5.9
99.04512	4.4
101.02428	4.5
109.02924	8.1
113.02427	4.3
115.00375	11.1
125.02441	2.4
127.00441	1.6
129.01958	2.5
132.03062	1.6
133.02907	5.8
134.03694	6.0
135.04520	6.3
135.52986	1.2
137.02412	2.2
145.02946	2.3
147.00443	1.2
147.03029	1.3
147.04463	4.0
148.05244	2.7
149.02412	2.3
149.06062	52.5
150.03212	2.5
158.03722	1.8
159.04465	1.8
161.02444	29.0
161.06068	1.8
163.04010	4.1
165.01939	1.6
165.05501	4.6
166.43135	1.3
173.06186	1.4
174.03189	1.6
175.02446	14.1
175.03976	15.9
177.01891	13.1
177.05482	2.4
178.02568	2.7
179.03493	2.3
187.03979	4.2
188.04836	2.9
189.05554	7.1
190.02719	1.2
191.03520	2.0
193.05020	22.0
195.06619	5.2
201.05479	2.4
203.03490	3.6
203.07301	1.4
205.05077	2.6
206.02242	2.0
209.03058	1.7
213.05490	2.3
215.03458	6.6
219.02951	19.9
231.02959	1.7
231.06601	2.3
233.04527	18.2
235.06125	2.6
237.04031	31.8
245.04485	2.3
247.06166	2.0
249.07574	2.2
250.06879	1.6
265.09323	2.1
271.10922	1.8
275.05484	4.1
277.03540	6.6
293.06540	5.9
319.04449	3.4
330.81363	1.3
337.05579	42.9
338.05978	3.3
409.17059	3.7
441.10522	1.5
455.11865	5.5
481.09821	3.4
499.10922	100.0
500.11197	10.0
541.11951	15.2
602.20825	1.8
661.15735	1.9
703.17236	22.0
704.17419	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	746.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.3
59.01381	5.5
60.01707	0.4
61.98800	0.4
66.03487	18.1
67.03835	0.4
71.01392	3.0
72.99299	0.3
73.02943	0.7
75.00903	0.4
80.05064	0.6
85.02953	6.7
86.03294	0.3
87.00900	0.6
89.02450	0.9
93.03461	0.4
96.95973	0.5
99.04540	0.6
101.02442	2.2
101.06091	0.4
103.04012	17.8
103.71145	0.3
104.04363	0.4
106.03004	0.4
108.02178	0.4
110.02479	57.2
111.00901	0.5
111.02815	1.1
111.04548	0.3
113.02436	0.9
119.03522	0.5
119.05031	0.8
121.02949	0.6
122.02477	2.0
123.04531	0.9
124.04044	25.0
125.02451	0.6
125.04366	0.7
129.01936	0.5
133.03017	0.4
134.03746	7.5
136.01695	0.5
137.02452	0.7
138.01953	2.8
139.02287	0.6
145.65172	0.3
147.03070	0.5
149.02434	1.3
149.06071	1.7
150.03204	3.1
151.04022	2.9
152.03534	33.5
153.03900	0.9
160.28119	0.4
163.03938	0.4
164.04739	0.4
165.05560	2.5
175.04012	0.4
178.02722	3.6
181.05066	0.9
189.09177	0.4
191.07205	0.4
192.04227	1.0
193.05058	6.8
195.06609	0.4
207.06535	0.7
212.05612	1.5
213.53793	0.3
235.06117	0.7
247.08224	2.0
265.09305	5.3
269.10098	0.5
321.11942	0.4
357.09918	0.7
358.11423	100.0
358.96332	0.4
359.11765	8.1
379.16104	0.4
465.10284	1.2
509.04272	0.4
549.17383	0.5
567.18799	1.0
585.19873	4.7
747.24988	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	745.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76216	0.1
59.01373	0.6
61.98845	0.3
66.22635	0.2
71.01376	0.2
78.04998	0.1
79.95309	0.2
79.95728	4.7
89.02443	0.2
95.95259	0.2
96.96011	70.7
97.95947	0.2
98.20657	0.4
98.95554	0.2
106.30598	0.2
139.72113	0.1
150.03255	0.3
165.05597	0.3
195.06674	0.3
222.30650	0.1
289.11142	100.0
290.11472	7.8
291.10971	0.2
354.79440	0.1
366.57294	0.2
567.94873	0.2
745.26141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01076	1.2
55.01877	1.9
59.01382	26.6
61.98831	55.2
69.14330	5.9
69.14760	4.7
71.01377	1.6
72.99319	1.4
79.05523	3.7
85.02944	2.2
87.00883	10.7
88.98811	1.9
96.95963	2.2
97.02942	1.3
99.04520	73.6
100.04842	1.6
115.00423	6.7
115.92033	1.4
115.98746	1.2
121.02964	7.5
133.10234	2.3
147.04565	5.5
159.08110	1.8
161.09694	2.2
215.14383	3.6
295.15384	1.3
347.22083	6.5
373.20200	4.8
429.26422	6.0
455.24100	7.4
473.25479	19.7
474.25909	3.3
497.25024	2.8
515.26935	3.4
621.29150	20.1
622.29803	5.2
663.30206	63.5
664.30499	11.7
745.34491	100.0
746.34723	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	745.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.2
56.83555	0.2
57.03445	3.1
59.01379	1.0
69.26401	0.3
69.26788	1.5
71.01379	0.5
72.99304	0.3
73.02951	0.2
75.56277	0.2
81.17608	0.2
81.23238	0.2
83.01411	0.2
85.02946	12.4
86.03301	0.5
87.00882	0.4
89.02448	0.3
96.96007	0.4
98.20602	0.4
101.02441	8.4
101.03113	0.4
103.04009	6.1
104.04344	0.3
113.03886	0.2
117.03518	0.3
119.05025	4.4
119.05825	0.3
120.05382	0.2
129.01939	79.7
130.02269	2.3
134.03764	0.2
142.52037	0.2
145.02986	0.8
147.02989	100.0
148.03299	2.5
163.04008	8.4
164.04424	0.5
191.01926	0.3
293.06671	8.7
294.07071	0.7
295.33258	0.2
701.33801	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27418	2.8
59.01377	68.6
61.98829	100.0
68.99551	5.5
71.01346	4.3
71.05006	9.4
71.19707	2.9
74.39590	3.1
75.00880	3.0
83.07857	3.1
85.02953	6.7
88.98800	9.0
96.96015	3.7
98.20464	15.2
99.04518	25.2
100.67230	3.4
112.98571	7.0
115.04022	18.0
116.92846	3.8
121.02955	6.2
147.04517	25.0
147.08087	2.9
175.02524	3.6
209.11894	3.3
253.09274	3.2
341.49744	3.1
427.21146	4.8
473.25601	3.6
547.06421	4.1
635.30780	6.8
677.31775	5.2
704.29486	4.1
713.32257	4.1
746.32074	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	745.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99632	8.9
59.01384	64.1
61.98833	100.0
66.39349	6.6
71.52644	10.7
80.99051	6.8
81.26283	7.1
81.47797	6.7
89.02451	40.6
96.95984	20.4
99.04491	7.6
101.02470	12.7
114.88586	7.2
147.04459	11.1
247.05856	7.6
281.24780	11.3
369.15683	6.7
509.29364	10.6
537.70056	7.8
625.51172	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.7
59.01379	49.0
60.90232	0.9
61.98830	27.1
68.87540	0.9
68.99580	2.6
69.03477	1.1
69.42318	4.6
69.42719	1.6
71.01380	4.0
73.02944	3.4
75.00854	1.0
81.02209	1.0
81.03468	4.3
83.01382	1.3
83.05009	1.2
85.02940	2.8
88.98824	5.7
89.02457	1.0
95.01372	1.0
95.05031	3.0
96.70639	1.2
96.95997	5.8
97.02952	2.0
97.06602	1.5
99.00881	100.0
99.04517	49.3
100.01232	1.8
107.05045	1.1
109.06574	1.3
111.00884	2.4
111.04531	1.1
112.98575	3.2
114.05630	1.3
115.04012	1.5
116.92905	1.0
117.01967	1.7
119.38297	1.0
119.39151	1.0
121.02982	4.3
121.06599	2.3
123.04522	2.8
125.02457	15.2
125.06031	0.8
127.03987	1.0
142.91226	0.8
145.55154	0.9
147.04506	13.3
147.08145	2.4
157.06644	1.2
159.08040	1.5
167.03461	1.8
170.07425	1.1
185.09753	5.3
187.11285	1.6
192.04311	10.3
209.11807	3.0
210.54616	0.9
267.13870	3.5
316.37756	0.9
318.03519	1.0
322.24173	1.0
324.55399	0.8
337.18076	0.9
355.19403	0.9
362.78146	1.1
385.20111	2.5
387.18100	3.4
393.20767	0.9
399.21771	10.0
400.21994	1.1
427.20767	1.1
443.20593	1.8
467.24420	10.8
468.24603	1.8
469.22632	1.9
481.26157	9.0
482.26752	1.8
483.23593	2.9
485.21573	1.2
503.22855	12.0
504.23111	2.3
505.25919	1.1
509.25015	2.1
513.28528	1.0
523.26868	1.3
525.24707	3.6
553.24585	4.6
553.32855	1.1
557.27386	1.6
565.28009	21.6
566.28430	4.0
567.25677	3.7
581.27625	6.5
585.27167	6.1
603.24084	1.2
609.26990	21.4
610.27271	3.7
611.24506	1.0
625.26459	2.0
635.25415	1.7
641.29736	11.9
642.29852	2.1
653.25903	15.8
654.26459	3.0
667.27832	2.7
685.28571	32.3
686.29230	6.5
701.40002	1.1
745.32068	3.2
746.31860	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	744.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
60.01698	0.1
60.99308	0.2
61.98830	100.0
62.98530	0.1
71.01373	0.3
71.54351	0.2
75.00878	0.1
76.03181	0.1
85.02944	0.2
88.98804	1.0
96.96030	0.7
98.20490	0.1
99.04527	0.5
100.04881	0.2
113.02464	0.2
114.05619	0.3
121.02963	0.6
147.04546	0.8
148.04900	0.4
156.06766	0.1
178.66229	0.1
195.15761	0.2
292.78857	0.1
666.30811	0.2
745.35883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03450	6.7
58.99715	0.6
59.01382	5.9
69.03471	1.5
69.48402	3.6
71.01373	5.4
75.00873	5.8
81.03445	1.0
83.01388	7.7
85.02961	2.1
86.55276	0.7
89.02455	2.9
95.01395	1.4
95.05023	1.9
97.02945	2.1
97.06585	2.6
99.04501	1.6
101.02446	2.7
107.05035	1.2
108.02155	1.1
109.02949	9.3
109.06588	7.6
113.02445	3.9
119.03507	1.3
119.05015	2.8
121.06644	0.7
123.04535	1.3
123.08166	6.9
124.05295	10.9
125.06105	0.8
129.01967	4.8
129.09212	1.4
133.02913	2.0
133.06602	1.1
135.04506	3.6
135.08116	0.6
136.05284	4.1
137.06033	0.6
139.07648	45.9
140.07977	1.9
143.05017	3.2
143.72723	0.7
146.03699	1.4
147.04552	1.0
148.05267	0.7
149.06078	7.3
149.09737	1.2
151.06413	1.3
151.07645	23.6
151.11308	1.7
152.07912	1.1
153.09222	3.9
159.08200	1.1
161.02441	21.7
161.06068	5.8
161.09715	4.5
162.02809	0.7
163.03981	2.8
163.07651	0.6
163.11316	1.0
164.08467	1.3
165.05518	0.8
165.09180	1.9
169.08685	2.1
169.12267	0.9
171.04541	4.8
174.03239	1.7
174.43881	0.6
175.07645	1.4
177.05516	0.9
177.09294	1.0
179.10774	29.4
180.11098	2.1
181.12337	1.7
187.04012	1.4
188.04774	1.2
189.05566	32.5
189.09186	1.0
190.05884	1.5
191.10767	7.5
197.11826	3.7
203.07181	0.8
205.04961	0.7
207.06638	2.1
207.10231	1.6
209.11807	13.4
227.12900	11.1
228.13104	0.8
231.06551	3.0
232.07054	0.7
233.04552	1.1
271.11859	100.0
272.12216	5.6
275.05576	9.5
293.06604	2.1
303.07214	7.0
325.09210	0.9
369.11908	6.9
413.10873	77.0
414.11069	6.0
455.11975	8.7
456.11725	0.9
473.12994	38.1
474.13507	3.2
745.25317	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03448	1.0
58.00592	0.2
59.01378	100.0
59.86222	0.2
60.01713	0.8
66.66638	0.2
68.31499	0.2
68.35627	0.2
71.01380	11.8
71.53978	0.2
72.99300	0.5
73.02951	3.9
75.00867	0.3
77.19569	0.2
78.33444	0.2
81.67435	0.2
83.01383	1.6
85.02948	6.1
87.00889	0.8
89.02441	1.9
95.01396	0.9
96.95992	0.5
97.02947	0.2
99.00887	1.7
101.02438	9.0
102.02801	0.4
102.53187	0.2
103.04017	0.3
108.02184	0.4
111.00863	0.2
113.02446	5.3
115.50770	0.2
117.03635	0.2
119.03520	0.6
119.05044	0.4
120.99622	0.2
123.04492	0.2
125.02492	0.4
129.01945	1.4
131.03415	0.2
135.04529	0.3
136.15022	0.2
138.02005	1.5
138.02914	0.3
139.02353	0.3
143.03564	0.6
147.03008	0.3
152.01065	0.4
153.05614	0.2
157.10193	0.3
159.03061	1.0
159.87437	0.2
161.04558	4.7
163.04071	0.3
167.03490	1.3
191.02046	0.3
197.04640	0.3
199.51439	0.2
205.24692	0.2
209.03099	0.3
225.15086	0.6
269.10297	10.9
270.10709	0.6
297.06012	0.4
305.10663	0.4
311.11359	10.0
312.11819	0.8
317.74289	0.2
355.10422	1.0
358.11539	0.5
387.20233	12.2
388.20749	1.3
539.97974	0.2
699.34949	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79271	0.1
59.01389	0.5
61.98832	100.0
62.98534	0.2
69.56517	0.5
71.01408	0.1
85.02958	0.1
88.98851	0.1
96.96001	0.2
99.00902	0.2
99.04521	0.1
121.02960	0.2
131.39986	0.1
147.04527	0.6
148.04904	0.2
168.36407	0.1
169.54109	0.1
199.89745	0.1
203.30472	0.1
209.11938	0.1
254.60075	0.1
338.71420	0.1
492.19910	0.1
494.89090	0.1
503.73499	0.1
652.23834	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	41.5
60.92191	1.7
61.98832	100.0
66.91874	2.2
68.13216	1.8
76.45885	1.8
86.83090	1.9
96.96081	2.4
99.00918	3.0
99.03907	3.9
99.04519	41.1
99.05113	3.9
121.02961	24.5
122.03354	2.4
131.47246	2.1
147.04521	7.1
199.13382	2.4
209.11824	1.9
221.15495	3.8
248.65071	1.9
667.31232	4.6
680.28009	15.3
681.29102	16.1
683.30511	7.2
712.31500	2.7
744.33282	2.9
764.41266	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	743.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47596	0.5
59.01371	4.6
60.99295	0.6
61.98830	100.0
62.98521	0.8
63.99249	1.2
69.21211	4.3
72.35010	0.5
75.21123	0.5
81.09956	0.5
81.48341	0.5
85.02961	0.6
88.98827	2.0
99.04513	1.6
121.02977	1.1
147.04556	0.7
231.11865	0.5
271.49207	0.5
281.65408	0.6
288.77615	0.6
593.26563	0.8
693.30975	1.0
699.42664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28465	1.3
59.01376	23.9
61.98830	100.0
71.01369	2.7
71.52885	2.4
71.53248	1.4
85.02937	2.2
96.95984	1.8
99.00874	3.4
99.04503	10.8
108.60972	1.2
116.92809	1.5
121.02963	7.2
121.93046	1.2
147.04515	10.7
156.99046	2.3
157.12221	1.8
158.84703	2.0
169.12289	1.8
211.13408	2.0
215.45583	1.3
243.73880	1.3
257.25208	1.2
291.19748	1.4
585.25775	1.6
623.59174	1.5
647.25104	6.4
648.25067	2.6
675.24121	7.1
707.27173	4.6
708.26636	1.8
725.40802	1.7
743.42181	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	743.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11769	0.6
55.01870	0.7
59.01379	12.1
61.98829	3.3
69.03432	2.5
69.17913	0.8
69.18147	1.2
69.18549	4.1
71.01376	7.6
72.96335	0.6
73.02948	1.0
73.30222	0.7
73.43011	0.5
81.03447	1.0
83.01364	1.6
85.02941	2.6
88.29873	0.6
89.02444	3.4
93.91118	0.5
95.01390	2.9
96.96029	1.2
97.02943	3.2
99.04511	0.9
99.23762	0.5
101.02424	3.2
104.00887	0.6
107.01379	1.6
108.02180	1.0
113.02438	1.4
115.00334	0.7
119.03468	0.9
121.02962	0.7
123.00883	11.0
123.04533	1.3
124.01661	22.5
125.02447	58.7
126.02784	1.2
133.01392	1.5
135.04437	0.9
137.02420	2.5
139.04010	0.7
149.99583	35.5
150.06880	1.1
151.00391	3.7
151.04030	0.8
165.05533	0.7
167.03499	1.6
168.00638	63.6
169.01410	15.5
170.01656	0.6
175.44353	0.6
187.09758	0.9
187.11282	1.1
205.12253	1.5
269.06546	0.6
287.07626	1.0
306.14337	0.7
313.05661	2.6
331.06610	8.9
469.07135	0.7
519.18243	1.3
561.28699	0.8
563.17365	1.5
699.36420	2.8
743.23944	100.0
744.24323	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	743.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.9
61.98829	5.0
69.03449	2.9
71.01381	7.6
72.99303	1.1
73.02951	1.3
79.01882	0.8
79.95736	2.7
83.01381	1.9
83.39991	0.7
85.02952	2.4
87.00885	0.9
89.02458	3.3
92.06927	0.7
95.01393	2.3
96.96009	38.2
97.02959	2.8
98.95583	2.6
101.02441	3.3
103.74920	0.9
107.01360	2.0
108.02182	1.0
109.02959	1.1
113.02451	2.7
115.67651	0.7
119.04965	0.8
123.00897	8.9
123.04569	0.9
124.01662	24.5
125.02451	56.0
136.01735	1.0
137.02412	1.7
149.99583	36.7
150.03108	0.8
150.74896	0.8
151.00336	1.6
152.01134	0.9
165.05571	0.8
167.03548	1.6
168.00645	63.5
169.01421	14.5
170.01755	0.8
178.81601	0.7
181.01434	0.9
200.77968	0.7
207.24728	0.6
217.07573	0.7
289.11157	54.1
290.11511	4.8
291.11005	3.3
313.05621	2.4
331.06693	6.6
396.47958	0.8
398.24594	0.7
509.21341	1.0
519.19305	1.7
563.18365	0.9
683.38525	1.4
743.23975	100.0
744.11383	1.1
744.24298	18.7
749.75879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.2
61.98829	100.0
65.54249	0.1
70.17210	0.1
71.01383	0.3
73.02966	0.2
75.00874	0.2
84.17848	0.1
85.02952	0.8
88.98823	0.2
96.96028	0.2
99.04498	0.7
121.02953	1.3
177.09222	0.2
178.46780	0.1
196.75917	0.2
343.98575	0.2
558.27991	0.2
619.25977	0.4
650.26776	0.3
679.27747	0.3
697.41956	0.3
698.42419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83209	0.1
59.01375	1.3
61.98829	100.0
62.98533	0.1
71.52339	0.1
71.52753	0.2
73.02953	0.1
78.95897	0.2
96.40561	0.1
96.96029	0.2
99.04506	0.8
116.92865	0.4
121.02964	0.6
147.04552	0.6
160.06207	0.1
189.48972	0.1
246.33455	0.1
277.21793	0.1
309.20758	0.2
466.36957	0.1
544.92151	0.1
591.26013	0.2
710.32928	0.1
742.35809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
61.98827	100.0
62.98518	0.2
68.14623	0.1
71.01389	0.3
80.58288	0.1
85.02969	0.4
88.98798	0.3
89.02460	0.1
96.96033	0.5
99.04541	0.4
101.02452	0.2
114.61141	0.1
121.02959	0.4
125.02413	0.1
134.52109	0.1
182.87032	0.1
209.11786	0.2
213.11603	0.1
233.63849	0.1
313.57883	0.1
513.42480	0.1
599.31134	0.1
663.67432	0.1
742.33435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00637	0.2
59.01373	1.8
59.71243	0.1
61.98830	100.0
62.98542	0.1
71.01392	0.4
71.91521	0.1
72.99309	0.3
85.02972	0.5
88.98823	0.2
94.81089	0.2
95.84666	0.2
96.96003	1.4
98.20680	0.3
98.92216	0.2
99.04511	1.1
101.02449	0.2
102.05695	0.2
111.04476	0.1
111.08927	0.1
112.48925	0.1
113.02437	0.2
121.02930	0.7
136.99133	0.1
147.04523	0.7
148.04781	0.2
150.06856	0.2
151.07454	0.1
209.11806	0.3
227.12932	0.2
234.18149	0.1
387.48187	0.2
485.38138	0.2
493.31985	0.2
503.11819	0.2
626.75220	0.1
629.26013	0.3
682.32849	0.4
698.38416	1.0
699.39105	0.3
700.33789	0.5
742.34491	2.5
743.33508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	26.6
61.98825	26.2
67.15018	1.7
69.91144	1.5
71.01381	29.0
71.52574	1.7
71.52995	1.9
72.99304	2.8
73.02938	3.7
78.95910	7.3
83.01383	3.1
83.05028	2.4
85.02953	5.9
87.00871	5.2
89.02434	20.9
97.02934	2.2
101.02444	22.6
113.02420	10.6
119.03507	4.8
125.02496	9.0
143.03477	4.1
152.99612	4.1
161.04538	3.8
171.10228	5.5
196.89420	2.1
209.11816	11.0
227.12840	3.6
235.08197	10.6
263.07849	2.8
271.83606	1.6
277.21747	12.0
278.22086	1.8
279.23230	3.1
283.26419	69.6
284.26675	5.7
287.07614	3.2
305.08423	1.8
397.13467	100.0
398.13818	7.1
415.14514	27.2
505.25620	3.4
681.40625	6.1
741.43530	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	741.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88618	0.3
58.00600	0.5
59.01384	4.4
61.98830	2.3
63.09410	0.4
67.88547	0.3
71.01380	3.8
73.02953	0.9
78.95894	0.4
80.02677	0.4
81.03458	0.5
83.01389	1.0
83.05024	3.5
85.02946	1.3
87.00877	1.1
89.02445	3.3
98.20660	1.1
101.02428	3.3
108.27473	0.3
109.06621	0.4
111.67412	0.3
113.02451	2.4
114.18909	0.3
119.03477	0.5
125.02532	0.3
125.09717	1.8
127.11308	2.3
129.45654	0.4
145.05084	0.5
145.51170	0.4
155.10753	0.8
161.04575	1.5
163.11307	3.1
165.09163	0.6
165.12828	1.6
171.10297	1.4
180.21211	0.3
183.10211	0.4
191.10774	0.8
199.09731	0.9
201.11314	36.7
202.11684	2.3
209.11815	85.1
210.12161	5.3
217.99445	0.4
227.12877	10.1
228.13167	0.5
235.08221	8.3
236.08649	0.4
253.09288	14.5
277.21704	100.0
278.22043	10.4
350.64127	0.4
363.42047	0.4
419.18869	0.6
437.20151	2.1
443.31796	0.7
445.20853	1.5
461.32779	0.7
513.30859	1.7
645.84546	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92716	0.2
59.01379	100.0
60.01710	0.9
61.98829	3.8
62.55885	0.2
64.06759	0.3
68.99574	0.6
85.02949	0.8
112.98552	0.3
121.02990	0.3
124.22729	0.3
179.58330	0.2
185.30540	0.2
209.11876	0.8
210.12059	0.3
294.21469	0.3
362.68582	0.2
385.30121	0.3
388.27133	0.2
539.26849	0.3
567.26044	0.9
585.26923	0.4
599.28778	1.7
600.29474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29506	0.6
57.03439	1.2
59.01377	14.1
61.98830	19.7
67.01917	0.7
69.03458	1.4
71.01381	5.7
73.02944	1.4
78.95923	3.9
79.95736	3.7
83.05025	2.1
85.02943	1.6
87.00887	1.1
89.02452	2.8
93.03483	0.9
95.05035	1.4
96.96010	86.5
96.96897	3.7
97.02943	1.4
97.06593	4.1
99.04521	1.9
101.02435	4.0
111.08117	1.6
113.02438	1.6
119.03472	0.7
121.02953	3.0
125.09727	1.4
127.37980	0.7
133.05074	0.8
133.73657	0.7
137.02382	1.4
147.04492	1.2
147.10422	0.7
151.11279	14.6
155.03896	0.7
161.04521	0.8
163.11192	1.1
165.12782	1.7
169.12340	65.3
170.12698	3.4
171.10225	2.0
181.12476	0.8
195.10233	2.8
197.11812	9.8
209.11830	2.7
210.11966	0.8
211.13380	2.8
213.11331	8.3
227.12891	1.6
232.86693	0.8
235.08195	2.0
235.15506	0.8
247.20662	0.7
247.27953	0.7
253.09253	3.6
273.18619	1.2
277.21753	1.1
278.21988	0.8
291.19623	5.8
309.20651	7.1
407.48685	0.7
431.19305	3.1
449.20309	3.4
657.07971	0.7
699.29449	1.1
741.40643	100.0
742.40961	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	741.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.8
59.01074	1.1
59.01379	28.1
61.98830	100.0
64.88620	0.6
71.01382	1.9
75.00877	1.8
78.95932	1.3
83.01420	0.9
83.05054	0.7
85.02971	0.9
88.98832	1.7
96.95995	3.1
96.99341	0.8
99.00940	1.1
99.04520	8.5
99.92601	1.8
101.02465	0.9
101.06114	1.0
115.92100	1.3
116.92884	3.5
121.02951	15.2
139.07660	0.8
147.04520	16.5
171.10318	0.9
177.09158	0.8
203.38611	0.7
207.10297	0.7
209.11934	1.0
211.13577	1.3
225.11246	0.8
257.43137	0.7
320.61871	0.7
384.93423	0.7
389.41934	0.7
481.22345	0.8
495.23737	0.8
513.27844	0.8
557.27789	3.5
577.24579	1.6
577.37634	0.9
593.26349	0.8
595.38708	1.7
599.28589	1.2
603.26300	3.0
621.26697	2.3
649.29980	1.2
660.30212	0.9
697.41656	12.4
699.30359	1.9
741.31573	9.6
742.32166	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	741.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54028	1.2
55.91280	1.3
59.01112	1.8
59.01381	27.3
60.01707	1.3
61.98830	100.0
71.01373	6.1
71.53934	2.1
72.99303	1.5
74.99152	1.6
80.96513	2.7
82.95417	1.5
83.05056	1.3
85.02939	5.1
87.00878	1.2
88.39577	1.2
88.98781	1.6
89.02438	1.8
92.47881	1.3
96.96012	3.5
99.00871	1.7
99.04538	6.8
101.02428	4.2
113.02441	2.1
121.02969	14.3
126.90384	2.0
132.67928	1.3
134.06218	1.5
136.05283	1.6
147.04510	3.9
148.04941	1.6
150.06795	1.7
157.14752	1.3
165.12837	1.5
171.10257	5.0
197.11749	1.5
207.10260	1.4
209.11812	72.8
210.12102	4.1
225.11259	3.7
227.12857	20.1
228.13127	2.0
234.56134	1.4
235.08244	2.5
253.09198	3.5
425.31482	1.5
429.26178	1.8
445.20813	8.2
459.26715	1.7
524.94238	1.7
577.24695	1.4
637.31982	2.9
655.33704	1.8
673.34222	2.4
697.38934	3.2
741.34631	29.6
742.33783	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	740.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02405	0.1
59.01068	0.3
59.01377	5.4
61.98829	100.0
71.01389	0.5
72.99335	0.1
73.02923	0.2
75.00883	0.2
77.26396	0.1
78.95948	0.1
79.02283	0.1
79.05515	0.1
81.03431	0.2
83.05032	0.4
85.02941	0.7
87.00867	0.2
88.98789	0.8
94.98111	0.1
95.05002	0.2
96.96032	0.3
99.00909	0.1
99.04517	1.2
100.59551	0.1
101.02447	0.3
109.06625	0.2
111.04546	0.3
121.02934	1.0
141.05557	0.3
147.04518	1.3
150.74429	0.1
161.05948	0.1
164.08507	0.2
187.11450	0.2
201.40155	0.1
209.11830	1.0
227.12959	0.3
273.58514	0.2
299.15112	0.6
411.20056	0.4
437.21738	0.7
461.21982	0.2
491.19501	0.2
519.26318	0.4
553.26660	0.4
561.26678	0.2
579.28064	2.2
597.29218	0.8
616.27502	0.5
639.30450	0.8
649.23401	0.2
653.00995	0.2
662.27496	0.3
677.32300	0.3
682.29468	0.3
740.30835	0.8
741.34692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59808	0.1
59.01374	0.2
61.98829	100.0
62.98527	0.1
64.69545	0.1
80.24902	0.1
98.19873	0.2
124.18006	0.1
154.12585	0.1
174.98134	0.1
228.99832	0.1
551.45996	0.1
662.47632	0.1
679.50476	0.1
680.50732	0.5
735.34186	0.1
740.49329	2.2
741.49597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93272	0.5
55.01875	1.0
57.03455	1.0
58.50819	0.5
59.01383	7.0
59.39551	0.4
61.98820	2.2
69.03449	0.7
70.27068	1.4
71.01385	5.4
71.05004	2.3
73.02943	1.0
78.95948	0.5
83.01369	0.7
83.05025	1.0
85.02947	1.8
87.00883	1.2
89.02447	2.0
95.05027	0.6
95.44621	0.5
97.02949	3.1
97.06582	2.0
99.00879	11.1
100.10159	0.5
101.02445	4.2
109.06598	1.2
110.03749	1.0
113.02434	2.2
119.03537	0.8
123.08157	0.7
125.09740	6.0
142.02707	0.9
161.04575	1.2
161.09697	1.0
163.11305	6.8
164.11656	0.6
171.10271	8.6
179.10770	0.6
181.12354	9.7
197.11847	0.7
199.09651	0.9
199.13387	10.8
200.13741	0.8
201.11270	0.9
207.10263	22.6
208.10580	1.3
225.11325	37.9
226.11510	2.5
235.08160	1.9
243.12357	6.5
253.09264	3.1
277.21719	62.8
278.22052	5.5
443.19830	0.9
461.20303	4.4
462.20352	0.7
479.21332	1.0
721.41620	5.0
722.42609	0.8
739.42719	100.0
740.43115	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
56.56679	0.4
57.03444	1.2
58.00595	0.7
59.01381	8.1
61.61395	0.4
61.98825	4.1
69.03490	0.4
70.53761	1.3
71.01385	8.1
71.05023	2.3
72.99271	0.6
73.02956	1.3
77.75877	0.4
78.95910	0.7
81.03470	0.5
83.01400	0.7
83.05033	0.9
84.33485	0.4
85.02954	1.6
87.00874	1.2
89.02439	3.7
95.01441	0.4
95.05014	0.6
96.96017	2.3
97.02967	4.1
97.06043	0.5
97.06601	1.9
99.00883	11.3
101.02441	4.1
103.00304	0.4
109.06561	2.2
110.03738	0.8
111.04508	0.5
113.02401	2.2
119.03491	1.1
123.08153	1.5
125.02469	0.6
125.09727	4.6
127.11295	1.3
135.08194	0.5
142.02760	0.9
145.05000	0.7
153.12917	0.6
155.14474	0.8
159.83984	0.4
161.04541	1.3
161.09702	0.9
163.11293	8.9
171.10272	17.7
172.10504	0.6
179.05550	0.7
181.12346	13.4
182.12660	0.7
189.09096	0.5
197.11842	1.8
199.09677	1.2
199.13397	23.9
200.13640	1.0
201.11333	1.8
207.10254	32.9
208.10547	1.8
209.11748	0.6
211.13370	0.7
225.11319	63.6
226.11644	3.2
235.08177	2.0
243.12363	14.9
244.12700	0.7
253.09270	4.8
277.21716	56.5
278.22086	4.6
293.21350	0.7
349.24463	0.4
407.18997	0.7
443.18906	2.1
461.20306	9.0
462.20737	0.6
479.21207	2.1
480.22470	0.4
627.52277	0.5
721.41406	5.8
722.42609	0.7
739.42706	100.0
740.43011	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	739.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.2
57.03449	1.3
58.00600	0.5
58.94505	0.5
59.01380	28.0
61.98831	100.0
64.16245	0.5
71.01382	15.2
72.99301	1.2
73.02956	3.2
75.00845	0.7
78.95917	0.9
81.02148	0.4
83.01401	2.3
85.02953	9.1
87.00883	1.7
88.98798	0.6
89.02438	4.1
95.01403	1.6
96.96020	1.0
96.97002	0.5
97.02966	1.1
98.20664	1.1
99.00900	1.6
99.04542	4.2
101.02444	7.9
111.00905	1.0
113.02444	8.6
119.03523	1.5
121.02975	4.7
124.01640	0.6
125.02475	1.9
143.03546	1.5
143.51530	0.5
147.04544	3.1
150.06917	0.6
152.99634	0.5
159.03125	0.6
161.04616	1.4
209.11908	0.6
228.56783	0.5
329.30325	0.8
371.85669	0.5
473.35083	1.6
491.35736	3.8
593.27979	0.6
602.25177	0.7
625.30566	1.3
627.32050	1.4
635.30817	1.1
635.40143	30.1
636.40186	5.1
653.41132	23.3
654.41467	3.6
676.17731	0.8
677.26569	1.5
695.42224	10.5
696.41620	2.3
739.32446	1.8
740.32953	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59356	1.0
55.01854	1.0
57.03439	3.1
58.00581	1.9
59.01379	79.4
60.01717	1.7
61.98828	100.0
69.03448	2.1
69.22694	5.0
69.23123	4.5
71.01379	47.3
72.99298	3.3
73.02939	9.9
78.95890	1.6
81.03474	1.2
83.01387	7.1
85.02941	23.0
86.00081	2.4
87.00887	2.0
89.02443	16.1
94.98065	6.2
95.01369	4.0
96.96011	3.6
97.02934	2.7
99.00877	5.5
99.04504	4.1
101.02443	24.6
105.01936	2.1
111.00861	2.0
113.01723	1.5
113.02447	19.2
114.66272	1.0
115.30585	1.2
118.00509	0.9
119.03481	3.9
119.05035	1.3
121.02941	4.5
122.03230	1.3
124.01643	2.0
125.02444	5.3
127.19605	1.1
143.03484	5.4
147.04520	62.6
148.04852	4.4
159.02998	1.8
161.04518	4.2
161.05994	1.2
175.25885	1.2
179.05643	1.3
255.14461	1.1
283.26550	1.6
308.96774	1.3
329.30591	2.4
473.35059	6.0
489.21173	4.3
491.36005	9.3
531.22223	3.2
599.37830	1.3
619.39435	1.5
635.40076	96.4
636.40350	16.0
653.41113	66.3
654.41394	10.9
695.42230	30.8
696.42554	8.4
732.31909	1.2
740.33295	1.9
753.28302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22041	0.4
58.00599	0.5
59.01104	0.6
59.01378	5.7
61.98828	8.0
62.21090	0.4
63.74642	0.4
69.03452	0.5
69.92901	1.8
71.01382	5.6
72.99306	0.6
73.02963	1.2
78.95884	1.0
81.03495	0.6
82.56116	0.5
83.05024	0.6
85.02959	1.5
85.34427	0.4
87.00884	1.4
89.02445	2.7
94.38112	0.5
95.01397	0.8
95.05033	1.8
97.02943	1.2
98.20391	0.8
99.00887	0.4
101.02447	4.2
109.06593	1.8
110.03768	0.5
111.04469	0.5
113.02454	2.3
118.72685	0.4
119.03487	1.0
121.31874	0.4
123.08161	0.6
125.09747	0.9
127.11298	1.6
140.08995	0.4
143.03473	0.7
149.09709	0.6
152.99620	0.7
153.09225	0.6
153.12939	0.4
161.04515	1.5
161.09663	0.6
163.11259	3.1
169.12386	2.1
169.13623	0.4
170.12683	0.5
171.10265	100.0
172.10605	4.2
179.05629	1.2
179.10724	0.6
181.12326	1.4
189.09181	2.2
197.11826	3.7
198.12187	1.5
199.13297	1.3
201.11346	2.0
202.56927	0.4
207.10262	9.9
225.11313	36.8
226.11726	2.0
227.39308	0.4
235.08241	4.5
243.12312	2.0
253.09283	8.2
271.22803	1.6
277.21713	86.2
278.22058	8.4
375.21887	0.4
390.84015	0.4
407.19199	3.4
443.19232	3.1
461.20319	9.1
513.30640	1.0
721.41492	4.6
722.42139	0.7
739.41852	10.2
740.42188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38344	0.7
59.01378	100.0
60.01727	1.6
61.98829	43.6
63.99247	1.4
65.91909	0.6
68.99558	1.4
69.03473	1.3
71.01368	1.9
73.02947	0.8
78.95920	2.4
80.96503	0.7
83.05028	2.5
85.02965	1.3
86.07276	0.6
88.98827	1.0
89.02428	1.1
96.95982	0.9
99.04542	1.6
101.02429	1.1
109.06601	1.5
112.98564	0.9
116.92837	0.7
121.02956	84.0
122.03312	2.6
133.06731	0.7
147.04532	4.9
152.99590	1.9
171.10309	1.0
197.11880	1.9
209.11839	7.0
210.37521	0.7
211.13460	2.7
227.13008	2.0
243.02917	0.7
253.09412	1.2
269.58878	0.8
271.02505	2.8
279.23172	0.8
293.21075	3.2
300.02740	2.6
301.03561	0.8
309.20734	2.8
339.16052	0.8
353.17429	0.8
393.21240	1.1
446.01553	0.8
453.22800	0.9
455.60364	0.7
549.25000	6.0
550.25293	0.8
557.25916	0.9
575.26837	3.3
591.25934	0.8
593.27802	0.9
619.25641	1.3
635.25464	1.1
649.86969	0.7
676.28418	1.1
679.27570	22.2
680.27356	3.6
707.28046	3.3
739.29260	3.8
740.30591	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32831	0.4
55.01866	0.5
57.03453	0.5
59.01377	17.3
59.25249	0.4
61.37766	0.5
61.98829	100.0
62.98540	1.0
63.99262	0.7
71.01377	6.1
71.54311	0.5
72.99334	0.6
73.02964	1.5
78.95930	0.5
81.03481	0.6
83.01389	0.7
85.02952	2.9
87.00912	0.7
88.98812	0.5
89.02455	2.0
91.51196	0.5
94.98107	1.0
96.96011	0.8
98.20200	0.5
99.00890	2.5
99.04530	1.6
101.02443	3.6
101.06034	0.5
103.05575	0.6
105.01928	1.1
113.02454	3.1
113.41051	0.5
119.03524	0.9
119.05009	1.2
121.02966	2.1
143.03560	0.6
147.04515	92.6
148.04852	5.2
149.06110	1.0
159.51076	0.5
161.06079	1.3
209.11819	0.8
209.79079	0.4
251.24258	0.4
261.71042	0.4
278.40823	0.5
335.13089	0.6
461.21393	0.5
473.34317	0.6
489.21207	6.5
491.35873	1.0
531.22339	5.8
532.22955	0.8
596.25787	0.6
635.39984	11.0
636.40173	1.1
652.53461	0.4
653.41083	8.2
654.41632	0.8
679.28589	0.5
695.42126	4.4
739.32465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72891	1.2
57.89613	1.4
59.01379	18.1
61.98832	100.0
62.43730	1.3
66.25224	1.3
71.01392	1.7
78.90787	1.5
85.02959	3.1
90.86924	1.3
94.81683	1.5
97.40609	1.3
98.19877	3.1
99.04530	3.8
101.70313	1.8
116.92856	1.6
121.02972	13.9
131.04961	1.4
147.04521	15.4
148.04745	1.5
209.11844	1.9
211.13437	1.9
309.93701	1.6
603.26111	3.1
642.80975	1.5
739.27838	10.4
740.28931	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
59.01378	66.3
60.01692	1.2
60.99303	0.9
61.98827	100.0
62.78157	0.7
63.99242	1.2
71.01371	4.5
71.05013	0.7
72.96210	0.7
72.99305	1.3
73.02955	1.7
74.05335	0.7
75.00874	2.2
78.95891	1.3
79.05518	0.8
79.95766	0.8
80.96529	1.6
83.01440	0.7
83.05022	1.1
85.02949	7.4
87.00858	1.7
88.98803	6.6
89.02465	1.3
96.96009	6.1
96.96964	1.1
99.00871	1.6
99.04520	8.7
101.02443	5.3
101.04583	0.7
103.48744	0.7
111.04522	0.9
119.49683	0.7
121.02951	24.5
125.02437	1.1
134.03796	0.8
135.04564	0.8
141.01772	0.6
147.04512	7.1
148.04836	1.5
150.06891	0.9
152.04930	0.9
161.96228	0.8
165.54761	0.7
171.10229	0.9
209.10034	0.8
209.11917	3.0
225.11307	1.0
227.12910	1.0
263.20581	0.7
282.81747	0.7
314.29874	0.8
443.01901	0.8
516.25439	0.7
516.33972	0.7
533.25226	1.2
546.49451	0.7
551.25897	0.9
569.27362	1.0
577.24756	2.7
591.25275	0.9
599.26709	0.9
601.24139	1.5
619.24969	4.7
633.27228	1.8
637.32214	2.6
643.25800	1.5
647.28906	1.3
653.31866	1.2
661.26324	11.5
662.27332	2.5
677.32098	3.3
679.27130	4.7
680.28656	1.2
681.29260	3.5
690.79938	0.8
739.31195	8.7
740.32013	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98830	100.0
62.98529	0.1
62.99247	0.1
71.01410	0.2
73.36354	0.1
77.86837	0.1
80.15509	0.1
89.02463	0.1
98.20412	0.4
101.02428	0.1
125.02489	0.1
128.82211	0.1
131.24036	0.1
277.21786	0.2
278.22064	0.1
279.22604	0.1
343.23865	0.1
397.13452	0.1
398.13617	0.1
399.14148	0.3
400.14410	0.1
417.15756	0.1
546.85699	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	738.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
60.67287	0.1
61.42808	0.1
61.98829	100.0
62.98541	0.1
71.01373	0.2
73.02959	0.1
86.66783	0.1
89.02452	0.1
94.69270	0.1
101.02457	0.2
102.95444	0.1
117.29403	0.1
121.02959	2.6
122.03316	0.4
125.02401	0.1
131.05035	0.1
132.24391	0.1
133.06590	0.1
141.07120	0.1
143.98305	0.1
147.04492	0.6
147.05461	0.1
148.04927	0.2
161.05992	0.2
171.04453	0.1
209.11847	0.4
229.63940	0.1
238.36940	0.1
250.65456	0.1
277.21970	0.2
278.22195	0.1
279.22296	0.2
293.21359	0.2
300.03113	0.1
301.03467	0.1
398.14011	0.2
399.14175	0.3
400.14600	0.2
449.67944	0.1
662.28253	0.5
672.91400	0.1
694.30780	0.4
738.30109	1.3
738.42084	0.1
739.30835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93582	0.1
59.01377	1.8
61.98830	100.0
62.18301	0.1
62.98534	0.2
69.29876	1.2
71.01386	0.4
73.02953	0.3
83.62872	0.1
88.98843	0.3
96.96031	0.4
96.96957	0.2
99.00882	0.3
99.04527	0.3
109.46832	0.1
109.67699	0.1
121.02966	1.1
122.03404	0.1
139.04900	0.1
141.07117	0.2
143.05038	0.2
144.29584	0.2
147.04524	1.1
148.04890	0.2
161.04430	0.2
184.05334	0.1
198.12093	0.2
209.11909	0.3
232.88211	0.1
492.19882	0.3
545.27405	0.1
557.25214	0.2
599.26019	0.2
675.28143	1.6
676.28815	0.2
706.26398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.9
60.71697	0.2
61.98832	100.0
63.99260	0.2
68.99832	0.3
69.14407	1.9
71.01390	0.5
74.31404	0.2
78.95899	0.2
79.75315	0.2
79.95722	0.2
80.96569	0.3
85.02990	0.4
88.14543	0.2
88.98843	0.3
93.03432	0.2
95.05038	0.2
96.96079	0.2
97.06627	0.2
98.19880	0.3
99.00898	0.4
99.04515	1.8
111.04522	0.3
119.05048	0.3
121.02966	2.5
121.06649	0.4
122.03286	0.3
123.04527	0.2
131.05054	0.9
132.86732	0.2
133.06586	1.5
141.07162	0.3
145.06606	0.5
147.04523	7.7
148.04871	0.4
149.06058	0.4
161.06071	1.9
161.09760	0.2
169.41513	0.2
171.04515	2.1
172.04811	0.3
173.06133	0.2
173.09686	0.3
184.05359	0.2
200.08405	0.2
209.11882	0.3
213.09132	0.3
227.10710	0.2
281.11996	0.2
379.19519	0.2
397.20215	0.2
427.21341	1.4
428.22031	0.2
430.83810	0.2
557.25385	1.3
558.26190	0.3
599.26587	1.3
600.27240	0.4
631.29279	1.7
632.29694	0.3
655.34302	0.2
656.33948	0.4
675.28076	16.4
676.28467	3.5
738.31250	0.2
766.67407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
56.99841	0.3
57.03450	5.0
59.01380	4.5
60.84749	0.2
66.35565	0.3
68.99825	0.6
71.01384	4.9
71.52656	0.3
72.99318	1.1
73.02971	0.4
75.00880	1.1
76.68822	0.3
83.01390	1.1
84.02161	1.3
85.02951	45.9
86.03288	0.7
87.00877	1.4
89.02433	2.2
96.96018	0.3
101.02437	0.8
103.00371	0.9
109.02945	0.3
111.00889	2.8
112.27437	0.3
114.95119	0.3
115.00335	0.5
116.05070	1.0
123.04550	0.9
124.04888	0.2
129.01950	4.2
132.04506	0.2
133.01442	2.8
135.04536	2.2
147.02991	3.5
149.02386	0.3
151.00446	0.4
153.05606	1.3
160.04039	37.0
161.02484	0.3
161.04381	2.1
164.04701	0.5
166.02757	0.7
167.03502	0.4
169.01443	0.7
170.54584	0.2
173.00900	1.4
179.03506	1.1
179.07135	0.9
180.04262	0.3
181.05057	0.8
191.01979	22.4
192.02278	1.0
195.06619	0.8
204.02998	1.4
206.13145	0.2
209.03021	100.0
210.03336	2.6
223.04567	0.5
231.06577	0.5
265.06940	0.4
265.09409	0.4
314.63086	0.3
353.05099	1.0
357.11981	0.4
366.08264	12.9
367.08624	1.3
371.06180	15.4
372.06674	1.3
401.10892	2.2
402.11371	1.3
403.12421	1.6
569.94012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74833	0.4
57.03443	0.9
59.01376	6.0
61.98832	5.2
69.03450	3.0
69.32597	2.3
69.33014	0.6
71.01379	4.7
71.05045	1.6
73.02945	0.9
75.43134	0.3
78.95895	0.4
81.24003	0.3
83.01382	0.5
83.05001	0.4
85.02961	1.3
87.00885	1.1
89.02439	2.5
97.06567	0.7
101.02443	4.1
111.04524	0.5
113.02405	2.0
119.03524	0.5
123.08144	1.0
125.09781	1.7
125.73743	0.4
143.03543	0.4
151.11296	1.8
152.99568	0.4
153.12846	1.6
155.10847	0.4
161.04514	1.0
161.09735	2.3
169.12315	5.1
171.10318	0.6
179.10782	6.0
191.84143	0.3
197.11821	77.9
198.12134	3.9
205.08723	0.6
223.09827	1.8
235.08357	0.4
240.73558	0.4
241.10806	4.2
253.09264	3.8
277.21701	28.2
278.22083	2.8
279.23227	0.7
327.32224	0.4
350.44824	0.3
384.41086	0.3
459.18613	0.8
477.20020	2.3
589.83875	0.4
609.36761	0.4
719.40472	1.0
737.41119	100.0
738.41443	20.6
743.30389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27336	3.3
60.63967	3.8
61.98830	29.1
71.01376	12.9
71.53077	3.6
74.51547	3.3
78.12951	3.4
78.95882	6.6
78.98602	6.1
79.95719	11.0
80.96517	68.1
94.98112	19.0
122.97561	5.7
127.99299	3.8
134.97568	7.2
141.90977	3.6
148.99155	7.4
152.98613	5.9
156.08864	4.2
164.98647	8.5
176.11252	3.5
183.82851	3.5
196.89427	3.6
206.99722	5.1
207.98770	3.3
225.00832	18.6
236.93407	3.5
481.17343	4.0
737.29077	7.5
737.41498	100.0
738.41827	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	737.412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.03464	0.7
59.01384	4.7
61.98830	5.6
69.03456	5.1
69.44397	1.4
69.44807	0.6
71.01385	5.3
71.05022	0.7
72.99296	0.3
73.02945	0.7
73.79794	0.3
78.95895	0.6
81.03477	0.5
83.01392	0.6
83.05046	0.5
85.02972	1.1
87.00883	1.4
89.02440	3.0
95.01386	0.5
95.05056	0.5
97.02958	0.8
97.06579	0.7
101.02446	4.1
111.04519	0.4
113.02478	1.9
119.03519	0.4
123.08164	1.0
125.09713	2.1
145.05031	0.5
149.09723	0.8
151.11287	2.4
152.99626	0.4
153.12831	1.1
158.38606	0.4
161.04579	1.0
161.09747	3.6
163.99115	0.3
169.12334	6.6
171.10309	0.4
171.29393	0.3
177.09412	0.3
179.10776	6.7
197.11824	46.3
198.12192	2.5
223.09712	1.5
233.22786	0.6
235.08195	1.0
241.10791	1.6
253.09238	2.8
253.83459	0.3
256.88461	0.3
259.20602	0.6
277.21710	53.9
278.22043	4.0
459.18707	0.5
477.19675	1.1
485.62531	0.4
737.41150	100.0
738.41431	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	737.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
56.39771	0.7
57.03442	1.0
58.00568	1.2
59.01381	34.0
60.99288	3.6
61.98827	10.5
69.03440	2.2
70.74564	2.0
71.01383	29.8
72.99291	3.6
73.02935	3.8
75.00863	1.3
83.01376	3.6
85.02957	6.7
87.00870	7.9
88.98807	27.5
89.02444	33.1
93.03447	1.0
93.66645	0.8
95.01379	1.7
96.96001	1.3
97.02959	4.4
97.56017	0.9
99.00873	3.1
99.04528	1.1
101.02438	21.7
102.29803	0.9
103.03982	0.8
105.01952	1.8
109.02952	1.2
109.06587	1.4
111.04481	1.2
113.02463	10.1
115.00341	1.2
119.03512	6.2
119.05021	1.3
121.02943	3.4
123.04449	1.0
125.02454	9.4
127.04033	0.9
130.09802	0.8
131.03482	2.7
133.01395	2.9
133.05028	4.9
143.03510	3.9
147.04523	8.1
147.67160	0.9
149.04582	0.8
161.04575	5.1
163.11336	1.7
179.05612	5.9
179.10638	0.9
207.10213	2.2
209.11816	9.2
211.13310	1.2
219.05170	0.8
221.06613	2.1
225.11243	1.9
226.98787	0.8
227.12831	1.8
235.08218	11.0
241.55927	0.8
253.09206	3.4
263.07565	1.3
279.23282	81.0
280.23636	8.5
287.07639	2.5
291.19711	4.7
293.21127	1.5
305.08572	4.0
323.09796	1.3
397.13483	100.0
398.13809	9.6
415.14523	35.3
415.18991	0.6
416.14737	2.7
677.38098	4.3
678.37610	1.2
737.29108	3.6
737.40985	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84883	0.3
59.01379	7.9
60.83804	0.3
61.98828	31.2
67.59442	0.3
69.97218	0.3
70.38194	0.3
71.01387	3.0
71.54201	0.6
73.02937	0.6
75.00863	0.6
78.91863	0.4
78.95905	0.3
79.95735	0.4
80.02666	0.9
80.96546	0.4
81.03458	0.8
83.05030	4.7
84.02171	1.0
85.02930	1.6
87.00867	0.9
87.47389	0.3
88.98822	1.0
89.02434	1.3
95.04992	0.4
95.91661	0.3
96.96011	3.4
96.96959	0.3
98.95598	1.4
99.00890	0.5
99.04515	1.5
101.02440	2.2
105.01917	0.4
109.06601	0.4
113.02445	1.1
115.00356	0.6
116.92870	1.2
117.01929	0.4
119.03490	0.6
121.02976	0.8
125.02386	0.3
133.01466	0.3
134.03743	0.3
135.08157	0.7
147.04552	0.4
161.04572	1.1
163.11284	2.7
164.11658	0.4
165.12831	2.0
171.10226	0.9
179.05588	0.3
181.12375	0.4
191.10750	1.0
209.11813	100.0
210.12151	6.3
210.68246	0.3
227.12875	14.4
228.13196	0.8
235.08287	2.0
247.13481	0.5
253.09245	5.5
265.14368	0.3
298.44113	0.3
347.14233	0.3
445.20871	3.3
455.46548	0.3
463.22046	0.6
471.27438	0.4
517.30798	0.4
557.27307	0.6
577.32697	0.5
617.29456	0.5
633.38403	0.4
637.32062	0.8
677.31732	1.2
678.31812	0.5
735.76807	0.3
737.33881	1.4
738.33575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86865	1.5
56.20811	1.3
57.03448	3.8
59.01379	77.5
60.99305	3.2
61.98830	98.9
69.17747	14.9
71.01387	12.4
72.99321	4.4
73.02958	2.2
75.00875	8.1
80.96513	2.4
85.02959	4.6
86.76208	1.3
87.00877	7.0
87.04512	3.0
88.98812	13.5
89.02445	3.1
96.96012	4.1
96.96930	1.9
98.20477	6.9
99.00886	4.7
99.04516	57.5
100.04838	1.5
101.02443	20.3
101.06100	3.0
111.04521	1.7
111.31490	1.3
113.02458	3.1
115.00380	3.6
121.02945	3.5
145.34399	1.4
147.04526	35.0
147.08217	1.8
148.04893	2.5
150.60153	1.5
161.06052	5.9
161.09552	1.8
163.07663	1.5
165.09164	2.0
171.08116	1.6
179.06874	1.4
186.06812	1.5
187.07655	2.2
189.09119	1.7
199.07590	2.9
209.11763	2.7
322.02240	1.5
360.74393	1.6
373.20044	3.9
387.22363	1.6
411.18112	2.1
413.19653	3.7
429.18790	1.7
431.20792	2.4
455.24353	11.6
456.24622	2.1
481.22687	2.5
493.21634	2.0
495.24033	4.5
497.25650	10.0
511.23318	9.9
513.24908	15.3
514.25409	2.7
537.24750	2.3
543.26141	7.9
545.27271	2.4
553.24500	24.3
554.24524	5.9
555.25714	12.9
556.26477	2.9
567.26208	1.9
585.26849	9.4
587.28625	13.5
589.23181	8.3
590.23285	2.9
595.25323	38.2
596.26056	6.0
613.26538	100.0
614.26947	18.7
627.28326	12.6
628.28516	2.2
645.29041	25.2
646.29620	5.7
651.39038	2.5
737.31494	5.2
738.32550	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	737.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.4
57.03452	0.4
59.01381	100.0
60.01711	1.3
61.98832	12.1
66.00189	0.4
69.24593	1.8
69.25024	1.9
70.13619	0.4
71.01368	2.2
72.99317	0.6
73.02960	1.0
76.02451	0.4
77.35244	0.4
79.05519	0.6
80.96550	0.7
83.05042	0.5
85.02976	1.5
87.00909	0.5
88.98826	1.3
89.02463	0.8
97.02920	0.5
98.20688	0.9
99.04524	7.1
99.54464	0.4
100.36273	0.4
101.02469	1.2
113.02481	1.0
116.92854	1.1
117.92916	0.4
121.02960	2.1
125.06053	0.5
138.90596	0.4
147.04512	0.5
161.09689	0.6
209.11870	1.7
210.12047	0.4
212.13719	0.5
225.01135	0.5
232.00180	0.5
347.22339	2.3
373.19919	1.0
429.26544	1.6
431.24979	0.7
448.98904	0.4
455.24365	2.3
471.27826	1.5
473.25375	8.1
474.25699	1.4
515.26447	6.2
516.27393	0.7
617.29041	0.6
623.25671	0.9
625.27045	0.8
633.29352	1.5
633.39056	0.7
635.30786	7.3
636.31311	1.4
651.40149	0.5
677.31671	12.6
678.32062	2.3
737.33789	5.4
738.32318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01378	81.5
60.01715	0.8
61.98829	100.0
62.98540	0.7
71.01382	2.4
71.03131	0.7
71.54395	0.9
72.99307	1.1
73.02940	0.7
75.00880	0.7
79.05521	0.6
80.96494	0.6
84.02162	1.1
85.02926	2.2
87.00889	1.2
87.04501	0.7
88.98804	2.0
97.02938	0.7
98.20219	0.6
99.00880	1.7
99.04513	10.4
100.74461	0.6
101.02436	5.5
102.02769	1.0
103.05512	0.7
119.05035	0.7
121.02985	2.9
133.06522	0.7
135.04526	0.6
135.53186	0.7
147.04523	26.9
147.08194	0.7
148.04834	1.9
154.65227	0.7
157.06564	1.1
159.08133	0.6
161.06035	1.4
163.07587	0.9
171.04483	2.8
171.08142	1.1
173.06107	0.6
175.07610	0.6
185.09637	1.6
189.09177	1.6
199.07443	0.6
201.09230	0.7
213.09148	2.2
218.09431	0.9
224.11885	0.7
229.08627	0.6
231.10152	1.3
241.08691	1.4
245.11736	4.1
259.09503	0.8
273.11182	1.3
274.12036	3.1
369.44601	0.6
427.20865	0.8
455.20239	5.0
495.23083	0.8
497.25192	2.1
511.23364	3.1
512.23071	0.8
513.24768	5.1
514.24841	0.9
525.24670	1.1
543.25995	7.0
545.27295	0.8
553.24457	5.4
555.25891	2.9
556.26312	0.8
567.25427	1.1
585.25818	4.1
587.28204	2.3
595.25208	4.2
599.25653	1.2
613.17249	0.9
613.26495	13.6
614.26782	1.6
615.83203	0.8
627.26074	9.8
628.26099	2.0
631.28503	0.6
645.29163	4.6
646.29205	0.9
659.28546	52.1
660.28839	10.7
663.29828	0.8
677.29559	2.1
705.30310	1.0
737.29443	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	737.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01153	0.4
55.01886	0.4
57.03461	0.7
59.01380	100.0
60.01718	1.0
60.99314	1.2
61.98831	16.1
69.03432	0.6
71.01389	3.4
71.53944	0.4
71.54301	0.3
72.99308	2.5
73.02957	1.2
75.00883	0.9
79.05556	0.8
79.95763	0.3
80.96529	0.7
83.01408	0.4
83.05038	0.7
85.02951	2.1
87.00877	5.3
87.01376	0.4
88.98808	5.5
89.02435	2.3
96.96029	1.2
99.00880	0.7
99.04517	5.8
101.02469	1.4
101.06089	0.4
107.05080	0.4
109.06574	0.5
113.02477	1.3
116.92901	1.4
117.02002	0.5
117.92898	0.4
119.03580	0.4
121.02958	4.5
125.02460	0.4
126.96619	0.4
135.03020	2.4
135.04596	0.5
147.04564	1.2
147.08199	0.6
148.40604	0.4
159.08133	0.4
161.09727	0.7
163.07660	0.4
169.44240	0.3
171.10338	0.9
180.61852	0.4
209.11768	2.2
211.13341	0.5
225.00847	0.5
229.78366	0.4
263.43198	0.4
265.09329	0.4
268.66739	0.3
277.14401	0.7
278.15311	0.4
295.15732	0.5
297.22327	0.3
347.22214	2.2
372.96701	0.3
373.20398	1.0
411.25937	0.6
429.26593	3.6
430.26755	0.5
431.24493	0.5
455.24255	1.6
471.27521	10.7
472.28061	1.2
473.25394	10.5
474.26077	1.3
515.26501	13.4
516.26959	1.7
545.24640	0.5
547.31531	0.4
575.28979	0.5
593.24628	0.5
615.28400	0.7
617.29340	1.0
623.24896	2.7
625.26733	2.1
626.27399	0.5
633.29614	7.9
633.38971	2.0
634.30005	1.5
635.30695	7.9
636.30890	0.7
651.30591	0.7
651.40228	1.2
659.28912	0.4
677.31659	13.5
678.31903	1.8
683.27460	0.9
693.31372	1.0
693.41382	0.5
737.31555	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	737.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.1
60.01706	0.4
61.98830	100.0
68.99825	0.3
69.03477	0.3
71.01379	3.8
72.01714	0.8
73.02950	1.0
78.66902	0.3
78.95903	0.7
83.01416	0.7
85.02975	0.8
87.00922	0.3
89.02452	2.7
90.02785	0.5
93.03478	0.4
97.02975	0.7
101.02440	2.5
101.03957	0.4
102.02818	0.7
103.05546	0.4
105.07130	0.8
107.20379	0.3
109.39327	0.3
113.02479	1.2
115.05555	1.0
116.92892	0.3
117.07120	0.8
119.03595	0.6
119.05030	0.4
121.02958	52.0
122.03291	1.9
125.02443	0.6
131.05028	2.9
133.06581	2.1
141.07089	2.9
143.03485	0.4
143.05048	0.5
145.06598	0.4
147.04520	14.4
148.04942	0.6
149.06129	0.4
152.99615	0.4
157.06613	1.7
159.08177	0.5
161.04637	0.7
161.06067	6.5
161.09734	0.6
171.04509	3.5
173.06018	0.6
179.05611	0.7
179.08615	0.5
183.04568	0.6
184.05269	0.5
207.08131	1.2
209.09891	0.3
209.11853	0.9
213.09222	1.3
225.11348	0.6
235.08215	1.0
236.08636	0.5
277.21725	4.5
278.22092	3.8
279.22363	1.5
309.88855	0.3
397.13513	5.0
398.13821	5.1
399.14023	4.1
415.14529	1.9
416.14920	2.2
417.15060	1.2
531.23962	0.6
534.15637	0.3
539.24493	1.0
549.24768	0.5
617.28998	0.9
618.29254	0.5
619.26996	0.3
661.28003	12.4
661.39288	0.6
662.28217	2.4
693.18506	0.4
693.30579	9.8
694.31219	1.9
737.29712	22.0
738.30267	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	737.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.5
60.34479	1.0
61.98828	19.1
65.52660	0.9
68.99562	2.4
70.63417	0.9
71.01392	1.8
71.53450	1.2
75.00888	1.2
78.95890	1.0
82.83290	0.8
82.95411	1.2
85.02977	1.2
89.02442	1.7
93.03453	1.4
97.06604	1.2
101.02437	1.8
112.98503	1.3
115.05543	1.3
119.05006	1.3
121.02954	100.0
122.03288	2.3
131.05002	4.8
133.06612	4.7
141.01701	1.2
141.07114	4.1
145.06590	1.3
147.04524	35.9
148.04868	1.8
149.06070	0.9
157.06563	1.9
159.08081	1.0
161.06058	9.8
161.09689	1.8
171.04477	6.0
171.66374	0.9
173.06049	1.4
177.05513	1.5
179.08743	1.0
183.04451	1.1
184.05151	1.0
185.11899	1.4
187.07445	1.1
205.08693	3.0
207.08145	3.7
207.69991	1.1
209.11832	3.9
211.13336	8.1
213.09224	1.8
213.11270	0.9
223.09755	2.8
231.39523	0.8
235.08043	1.4
241.10867	3.4
245.97568	1.0
253.09212	2.1
277.21701	7.2
279.23328	2.9
283.13300	0.8
289.18118	1.9
291.19565	1.9
307.09885	1.0
307.19107	2.0
308.50391	1.2
376.32352	1.0
397.13486	3.6
617.28601	1.6
619.26355	1.1
661.28003	23.2
662.28223	4.2
693.30542	18.8
694.31073	3.9
719.39435	1.5
737.29626	44.5
737.40613	2.6
738.17621	2.2
738.30011	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	737.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00613	0.6
59.01379	15.9
61.98829	25.0
71.01383	7.8
71.54686	0.5
72.99316	1.4
73.02953	0.8
80.96503	0.4
83.01391	1.4
83.05049	0.4
85.02954	3.2
87.00887	1.1
89.02440	4.4
91.58945	0.4
93.03462	1.0
95.01373	1.0
96.96005	4.4
97.02927	0.5
98.95567	0.9
99.00890	0.8
99.92591	0.9
101.02439	4.2
103.04079	0.4
113.02425	3.1
115.92089	0.7
116.92887	1.5
117.03542	0.5
117.92924	0.5
119.03584	2.5
119.05022	100.0
120.05344	4.9
120.06127	0.5
121.02962	0.8
125.02489	0.6
125.49116	0.4
143.03453	0.6
151.00304	0.7
161.04564	1.5
161.13330	1.8
163.03999	85.9
164.04344	4.9
170.28894	0.4
179.05585	0.9
187.11226	2.7
205.12288	1.6
209.11786	1.6
229.12219	0.6
231.10190	0.4
249.11200	0.5
265.09250	0.8
296.16312	0.4
325.09204	2.3
328.30661	0.4
366.97421	0.5
383.06595	0.4
393.15384	1.2
411.07065	0.5
421.25180	0.5
513.21283	6.5
514.21442	1.5
521.13342	0.5
557.20178	12.3
558.20337	2.0
571.28992	1.2
573.21478	1.9
631.31403	0.4
693.31830	0.7
737.26453	22.7
738.27057	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	737.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83348	0.4
57.03424	0.5
57.22142	0.3
59.01380	14.9
61.45386	0.4
61.98825	4.5
64.44646	0.3
71.01392	2.6
72.99300	0.5
73.02938	0.8
73.78488	0.4
79.05524	0.5
83.05036	0.6
84.02148	0.4
85.02948	0.9
87.00870	2.0
88.98800	0.8
89.02438	0.6
97.06596	0.5
99.00880	1.5
99.04518	22.8
101.02435	1.2
105.07089	0.4
106.05019	0.4
111.04444	0.5
113.02406	0.8
120.99655	25.8
121.02953	0.5
121.06622	0.6
122.00001	0.4
125.06084	0.6
133.06564	1.4
133.10220	0.6
135.08150	0.9
137.09631	0.6
147.08136	1.3
159.08099	0.4
161.04614	0.7
161.09727	0.9
163.11285	0.8
171.08131	0.5
171.10262	0.7
173.09732	0.5
189.12825	0.9
193.60184	0.4
197.11829	1.0
201.09398	0.5
201.11185	0.7
201.12869	0.5
209.11806	4.4
215.10773	0.9
215.12834	1.1
217.12349	1.4
227.12900	0.9
253.09160	0.5
258.13730	0.5
267.14282	0.5
295.15469	2.2
315.19870	0.5
355.03647	0.5
373.20172	0.9
399.22012	0.4
403.24887	1.1
429.21979	0.7
429.26947	0.7
448.48550	0.4
455.24075	0.9
471.27454	1.4
473.24765	3.5
474.24792	0.7
485.28946	0.6
487.27466	0.4
499.26718	0.5
511.26999	4.0
512.27332	0.9
515.26447	2.5
517.28326	0.8
529.28058	10.4
530.28491	2.2
531.25940	0.7
555.26245	0.7
557.27454	1.6
570.27997	0.5
571.28937	0.7
573.26990	10.9
574.27289	1.7
615.28070	100.0
616.28418	20.1
616.38672	1.0
737.28223	3.7
738.28876	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15436	0.1
61.98831	100.0
62.98531	0.2
63.23425	0.1
71.16051	0.2
75.77313	0.1
78.95913	0.2
80.96488	0.1
103.69389	0.1
119.97392	0.1
141.25043	0.1
163.86336	0.1
565.18524	0.1
736.28033	0.1
736.40643	0.1
737.41620	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82909	0.2
61.98832	100.0
69.30692	1.7
73.22169	0.2
74.83987	0.2
78.95906	0.5
90.12375	0.2
93.29890	0.2
94.70334	0.2
98.20686	0.4
112.98560	0.6
142.34396	0.2
196.89510	0.8
197.89600	0.3
198.50429	0.2
245.38080	0.2
635.84839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89139	0.2
53.99285	0.2
58.00586	0.5
59.01377	10.6
61.98824	1.9
63.00711	0.2
71.01379	6.4
71.41467	0.4
72.99310	0.6
73.02946	0.6
75.00903	0.2
75.31596	0.2
79.05548	0.3
79.95715	0.3
83.01395	1.1
85.02946	2.2
86.22650	0.3
87.00885	0.6
89.02443	4.4
93.03465	0.9
95.01389	0.6
95.05020	0.3
96.96017	4.1
99.00903	0.8
99.04506	0.4
101.02437	3.5
107.05093	0.3
113.02444	2.4
119.05024	100.0
120.05339	3.5
121.02984	0.4
122.06070	0.3
135.04472	0.4
143.03419	0.4
145.01482	0.4
161.04631	0.6
161.05988	0.3
161.13332	1.6
163.04002	81.4
164.04350	3.6
176.04831	0.3
179.05653	1.3
187.11276	4.3
188.11650	0.4
205.12308	2.0
229.12289	1.0
245.92134	0.3
249.11246	0.9
325.09262	2.6
393.15601	1.4
411.16373	0.8
475.19952	0.4
513.14209	0.5
513.21228	5.8
513.27362	0.3
514.21533	1.1
557.20184	7.9
558.20306	1.2
573.21729	1.2
605.22290	0.4
737.26404	18.8
738.27106	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	737.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
56.62883	0.2
57.88067	0.2
58.00595	0.3
59.01380	12.3
60.01710	0.2
61.98830	11.0
64.82838	0.2
71.01380	7.4
71.54636	0.3
72.99294	1.2
73.02947	0.7
75.00875	0.3
79.05531	0.3
81.03445	0.2
83.01364	1.4
85.02943	2.8
87.00884	0.9
88.98811	0.3
89.02444	5.2
89.67512	0.2
92.67064	0.2
93.03468	0.8
95.01388	0.5
95.05021	0.3
96.96008	1.4
97.02969	0.3
98.95557	0.3
99.00884	0.4
99.04536	0.8
99.92564	0.2
101.02440	3.7
103.00375	0.2
103.04008	0.5
107.05029	0.4
111.00941	0.2
111.04514	0.2
112.72660	0.2
113.02451	2.8
113.11696	0.2
115.00370	0.3
115.92091	0.2
116.92858	0.4
117.03519	0.2
119.05025	100.0
120.05344	3.8
121.02973	0.3
121.06583	0.3
123.04475	0.3
125.02461	0.3
129.01862	0.3
135.04517	0.3
143.03506	0.4
147.04532	0.3
149.06122	0.2
159.08148	0.3
161.04549	0.7
161.13385	1.6
161.14568	0.3
163.04002	82.6
164.04338	3.8
175.02486	0.3
179.05569	1.2
187.11270	3.7
203.14333	0.2
205.05109	0.2
205.12311	1.9
209.11827	0.4
227.10707	0.2
229.12334	0.6
231.10249	0.3
247.13420	0.3
249.11311	1.0
255.10336	0.2
265.09302	0.4
291.12357	0.4
315.12411	0.5
319.16553	0.3
325.09256	2.3
349.16333	0.2
351.14499	0.2
377.99866	0.2
393.15540	1.6
411.16568	0.4
513.21326	5.1
514.21429	0.7
557.20251	13.6
558.20538	3.1
571.28424	0.3
573.21631	1.5
575.21216	0.4
633.34454	0.8
651.36084	0.4
693.36493	0.3
737.26459	19.8
738.26782	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	736.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
61.98829	100.0
62.98543	0.2
62.99253	0.1
63.96377	0.1
68.99557	0.5
71.01379	0.9
72.01723	0.1
73.02950	0.2
78.95927	0.3
83.01412	0.1
84.45389	0.1
85.02969	0.3
87.00900	0.2
89.02431	0.7
92.09231	0.1
97.02953	0.1
98.20433	0.6
101.02436	0.5
107.99711	0.1
112.98587	0.5
113.02460	0.3
114.05595	0.7
119.03502	0.2
121.02966	0.9
125.02444	0.3
140.05751	0.1
140.95255	0.1
146.85118	0.1
147.04530	0.2
152.99579	0.1
153.96780	0.1
161.04626	0.2
163.11278	0.1
170.53699	0.1
171.10303	0.1
207.10297	0.2
209.11855	0.4
211.13448	0.2
225.11302	0.2
235.08348	0.2
245.52640	0.1
277.21689	1.1
278.22064	0.8
291.19421	0.1
293.21298	0.2
397.13440	1.4
398.13797	1.3
399.14117	0.1
415.14709	0.6
416.15149	0.4
497.56567	0.1
737.30011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36533	0.1
58.42937	0.1
59.01380	1.7
60.01716	0.2
61.01765	0.1
61.98829	100.0
62.98525	0.1
69.20683	0.4
69.21112	0.5
71.01387	0.2
80.08083	0.1
85.58646	0.1
89.02393	0.1
101.02451	0.1
107.69370	0.1
147.04535	0.2
157.58725	0.1
207.10376	0.1
209.11790	0.1
211.13397	0.1
224.20064	0.1
279.23352	0.4
291.19849	0.2
397.13644	0.4
491.54568	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80342	0.2
53.36850	0.2
59.01378	4.0
61.98829	100.0
62.99242	0.2
65.57935	0.1
69.22918	1.4
71.01396	0.5
72.99311	0.2
73.02949	0.2
83.05025	0.2
85.02947	4.9
86.03287	0.3
87.04567	0.2
88.98816	1.2
96.96001	1.0
98.19870	0.2
98.20411	0.7
99.04516	0.8
101.02449	0.5
101.06078	0.3
115.00409	0.2
116.92891	0.3
117.08421	0.2
121.02981	0.8
147.04539	0.4
148.04764	0.1
169.12381	0.3
171.10202	0.2
209.11754	1.1
227.12883	0.2
248.12701	0.1
314.66312	0.2
324.14282	0.2
471.27328	0.2
483.20267	0.2
495.24274	0.5
513.24542	1.0
514.24915	0.3
531.29822	0.3
537.25305	0.3
555.25928	0.3
579.26099	0.2
597.27448	0.3
620.29016	0.3
641.26166	0.7
662.29828	0.3
673.28711	3.2
674.28851	0.9
677.32172	0.5
736.30029	0.3
737.33398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.7
59.01380	68.7
60.99317	1.3
61.98831	100.0
66.12607	0.7
67.79122	0.9
69.03456	4.6
69.74925	0.8
71.01384	5.8
71.05022	2.1
72.99320	5.6
73.02935	1.2
74.50579	0.7
75.00877	1.2
83.05027	2.5
85.02952	7.2
87.00884	1.1
88.98808	10.2
89.02444	1.0
93.03452	1.7
95.05033	0.9
96.95995	1.3
97.02962	1.2
99.00885	9.5
99.04524	17.4
101.02441	31.9
102.02773	0.8
103.05525	1.4
107.05023	1.1
109.06590	1.2
111.04530	2.9
112.98588	0.9
115.04024	10.1
119.05051	1.3
121.02950	11.7
121.06589	0.8
127.03977	1.0
129.01932	1.9
133.06606	1.0
135.04523	1.9
147.04517	40.8
148.04868	2.1
149.06073	1.2
150.06906	0.8
159.04460	1.0
159.08202	1.1
161.06184	1.0
167.07141	1.5
177.05502	0.8
183.96352	0.7
187.07693	1.0
193.05193	0.9
209.11816	0.9
211.06108	2.1
229.63576	0.9
258.80820	0.8
268.54614	0.8
499.23666	1.1
513.21320	2.5
529.24744	1.0
543.22906	1.3
555.22906	1.0
561.23920	1.2
573.23260	3.0
575.26404	1.6
583.28156	1.1
584.22467	1.7
587.21454	1.8
599.25165	1.5
609.26727	1.4
616.21021	1.2
625.26068	1.7
643.27130	1.7
673.29077	1.5
675.29620	1.4
691.31030	2.8
703.27649	6.1
717.29510	1.5
735.29688	5.7
736.31824	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78987	1.3
56.61922	1.0
57.03402	1.5
59.60958	1.1
61.98811	5.1
66.89323	1.2
71.01384	8.2
78.95885	4.7
78.98587	5.1
79.95742	12.0
80.96518	73.8
85.02965	2.8
87.00894	3.4
89.94380	1.1
94.98089	15.1
96.96028	2.3
97.02938	1.7
106.98060	4.6
113.81142	1.2
122.97568	5.0
125.02444	3.3
127.04115	1.4
134.97552	4.5
136.26308	1.5
136.99088	1.5
148.99144	5.7
152.98592	5.4
163.89507	1.2
164.98627	12.8
169.02603	1.3
171.10313	1.3
196.89449	4.0
206.99591	3.4
212.54446	1.2
225.00711	18.1
229.49170	1.6
255.23274	3.5
277.21808	2.0
479.16107	2.4
735.39789	100.0
736.40082	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	735.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05669	0.5
57.03454	2.6
58.00578	0.6
59.01381	78.6
60.01698	1.4
61.98827	20.2
68.01890	0.5
68.17107	0.5
69.03461	0.5
71.01376	6.6
72.99316	2.3
73.02955	1.6
75.00871	1.0
76.91997	0.5
83.01398	1.1
84.02174	5.5
85.02950	7.2
88.98814	1.9
89.02460	2.6
90.03628	0.5
95.01385	1.9
96.96017	1.4
97.02933	0.6
98.19946	1.5
99.00886	2.2
99.04527	7.0
101.02442	16.3
104.82499	0.5
107.05025	0.5
109.02924	0.7
109.70284	0.6
110.00115	0.8
111.04510	0.6
113.02451	9.0
116.92865	3.2
119.03506	3.5
119.08678	1.2
121.02960	7.9
125.09722	0.6
143.03575	0.9
147.04518	8.7
151.11305	1.2
161.04549	2.2
179.05559	0.6
193.12341	3.1
197.11787	1.3
209.11832	2.2
231.13994	0.8
383.25912	1.6
427.24844	12.8
428.25366	1.4
441.26566	4.8
469.25931	100.0
470.26270	13.6
483.27509	24.8
484.27872	4.1
487.26785	0.8
511.26996	12.5
512.27417	2.8
523.26959	0.7
533.35199	0.5
541.28107	1.2
557.24164	0.8
673.30078	2.3
675.29431	1.4
691.30902	1.9
692.30676	0.8
717.29639	0.9
735.27606	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	735.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87744	0.9
57.03453	1.5
58.00584	1.4
59.01377	33.5
61.98832	4.8
68.42079	0.8
71.01382	23.5
71.41577	1.4
72.99300	2.5
73.02928	2.7
75.00820	0.8
81.07088	1.2
83.01385	1.9
85.02958	5.2
87.00868	1.3
89.02435	15.2
95.01400	1.2
96.96004	8.2
99.00867	1.5
99.04507	4.4
101.02435	14.3
103.03956	1.2
107.05026	0.8
111.04539	2.0
113.02467	8.7
116.92924	1.3
119.03499	5.4
119.05004	2.0
125.02476	1.3
135.04459	1.0
135.08127	0.9
143.07048	1.2
145.01419	2.4
147.11771	1.4
151.00331	1.5
161.04633	1.4
161.08202	1.0
161.13332	7.2
163.03964	1.6
165.01912	0.8
165.05467	1.0
173.13475	1.2
179.05678	0.9
185.13307	3.3
187.11281	13.5
188.11739	1.1
190.73994	0.9
191.01923	1.0
192.00772	1.1
193.05078	1.1
203.14348	1.9
205.12352	11.0
206.12450	1.1
217.88200	0.9
225.70769	1.0
229.12314	4.4
247.13377	2.4
249.11331	5.0
250.19954	0.8
265.09161	1.2
289.11240	6.7
291.12451	2.6
310.26764	0.9
323.13470	5.2
427.10065	1.2
429.17523	1.9
511.25507	3.8
531.21350	1.2
555.24152	9.7
556.24713	1.6
686.22229	0.9
706.83966	0.9
728.91553	1.2
735.30804	100.0
736.31317	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49685	0.9
57.03445	1.3
59.01380	41.4
61.98834	9.0
66.40189	0.9
71.01009	1.9
71.01381	26.1
71.54089	1.7
72.01807	1.0
72.99300	3.3
73.02905	2.5
73.44454	0.9
74.99049	0.9
75.00866	1.5
81.11965	1.0
83.01368	3.3
83.05015	1.4
85.02945	5.8
89.02439	18.3
95.01363	1.7
96.96011	6.7
98.95567	1.2
99.00864	1.7
99.04499	6.5
101.02448	13.3
111.04498	2.4
113.02433	7.8
115.00378	1.2
116.92842	1.7
119.03473	5.2
119.04967	1.3
123.04502	1.2
125.02415	1.1
135.04506	2.0
147.11754	1.2
148.05257	4.1
150.05672	1.2
159.56398	1.0
161.04616	1.4
161.08131	1.5
161.13332	8.3
163.07591	4.4
175.02350	1.2
175.12975	1.1
179.05577	2.0
185.09750	1.2
185.13335	3.6
187.11266	16.2
203.14355	2.5
205.12314	15.6
209.11833	2.3
219.13931	1.7
229.12263	7.2
247.13387	3.3
249.11288	9.9
291.12393	2.7
323.13458	5.3
325.67560	1.2
392.17163	1.1
396.69278	1.1
429.17761	5.2
511.25784	2.2
555.24268	19.9
556.24689	2.5
689.84869	1.1
735.30768	100.0
736.31042	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	735.301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30673	0.5
59.01376	24.0
60.99298	0.8
61.98827	100.0
63.78240	0.5
69.03450	0.5
69.73051	0.4
71.01382	2.8
71.53393	0.8
72.99311	0.8
73.02925	0.9
75.00856	2.5
78.91866	0.9
78.95905	0.8
80.02666	0.5
81.03456	0.9
83.05005	1.2
85.02947	6.2
88.24864	0.5
88.98802	5.8
89.02425	0.9
93.03460	0.7
95.05017	0.5
96.96009	1.0
96.96914	0.5
97.02959	0.5
99.00883	2.7
99.04518	15.8
100.04849	0.5
101.02454	1.5
101.06121	0.7
107.05013	0.8
109.02908	0.6
111.04539	2.0
111.25895	0.5
112.98559	0.8
119.05038	1.8
121.02953	11.7
121.03776	0.9
121.06627	0.6
122.03235	0.6
127.04027	3.3
131.08621	0.7
133.06551	0.8
135.04547	1.3
141.05579	0.7
145.06566	1.2
147.04514	35.2
148.04909	1.9
161.06105	1.5
163.07631	0.5
167.07138	0.9
169.05057	4.0
171.08224	0.7
175.07628	0.8
183.08218	0.7
185.77202	0.5
187.07622	1.4
189.09312	1.4
191.10811	1.8
193.08704	0.7
199.07425	0.5
209.09781	0.9
209.11823	1.5
211.13420	0.9
215.07251	0.5
229.12317	0.6
231.10258	0.5
255.10480	0.5
273.11279	1.1
281.11856	0.6
295.13422	0.5
325.14566	0.7
357.17606	0.5
429.19064	1.2
435.18210	0.8
449.19910	0.9
467.20944	0.7
469.18597	1.0
485.21890	1.4
487.19940	0.7
495.20294	1.3
527.23370	1.2
549.24695	0.7
580.27167	0.5
591.26483	1.4
609.28119	0.8
633.27228	1.7
635.24689	4.0
641.27893	0.8
643.25458	2.7
644.27362	0.6
654.33081	0.7
659.28693	1.5
660.29120	0.6
673.30273	1.2
675.28015	17.9
676.28497	3.3
698.31805	0.6
699.33893	0.6
703.28113	2.2
704.34985	0.6
735.30029	2.6
736.33667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03442	1.0
59.01379	25.9
60.09790	0.7
61.98830	100.0
66.10425	0.8
66.28385	0.8
69.03440	1.4
71.01385	5.7
71.52335	1.0
72.99302	5.8
73.02942	1.1
75.00873	1.0
78.95895	1.6
81.03446	1.2
83.01396	0.8
83.05012	0.9
85.02950	21.9
87.00861	1.7
93.03452	3.4
95.01373	1.1
95.05029	3.0
97.02952	1.5
99.00883	8.2
99.04521	5.5
99.94811	0.7
101.02482	0.9
101.06054	1.9
103.05497	1.0
107.05058	1.6
109.02938	2.9
109.06608	2.2
111.04517	3.0
113.02406	1.1
119.05001	2.4
121.02183	1.0
121.02973	14.5
121.06569	1.9
123.04526	4.6
125.02451	1.5
127.04050	1.8
131.05014	1.3
135.04541	1.6
135.08232	1.2
137.06042	1.8
139.03960	1.2
145.06541	1.1
147.04517	52.3
148.04889	2.6
149.02393	1.0
149.06093	4.9
150.03192	1.2
151.03957	2.1
151.07646	0.8
163.11256	1.1
165.05562	2.3
167.03442	1.0
175.03972	1.0
177.05608	1.9
177.13405	0.8
193.05092	5.8
194.05682	1.2
203.07086	1.2
207.10225	2.9
209.11824	2.6
211.06110	3.3
211.13377	2.9
212.13721	1.0
225.11282	1.8
246.08783	1.2
291.19550	1.1
307.19031	1.0
308.89828	0.7
309.20670	1.0
400.05530	0.8
483.19592	1.6
512.50232	1.0
527.22943	1.1
535.23224	1.2
543.22131	1.1
571.24524	1.0
613.24658	2.5
629.27484	1.0
631.25421	2.4
639.25739	1.5
643.25269	1.0
657.26733	6.3
658.27155	1.3
659.31641	5.1
675.27972	19.2
676.28656	3.7
717.37012	1.1
735.28888	1.5
735.40576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89417	0.3
61.98829	100.0
67.44962	0.4
71.22200	0.7
76.21471	0.3
78.95915	1.1
90.34223	0.3
102.66110	0.3
116.92905	0.6
121.72120	0.4
126.94206	0.4
128.13385	0.3
196.89439	1.7
299.87164	0.5
390.47601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78763	0.5
57.03452	14.6
57.43692	0.7
59.01379	8.9
60.99300	0.8
61.98832	33.0
65.56384	0.6
68.99825	0.8
69.03472	0.6
70.53023	1.5
70.53345	0.6
71.01384	7.6
72.99305	13.8
76.10624	0.5
76.53565	0.5
79.05573	0.7
81.03460	0.9
83.05024	1.0
85.02949	3.8
86.68629	0.5
87.00878	2.0
88.98797	3.1
89.02407	0.6
93.03458	2.3
95.05013	1.4
96.95992	0.5
97.02950	1.8
99.00881	26.4
99.04530	2.4
101.02443	100.0
101.06084	2.7
102.02789	1.6
103.05526	0.9
107.05034	0.9
109.02921	0.9
111.04528	3.5
113.02441	1.4
116.92860	1.1
119.05020	2.2
121.02961	7.9
121.06579	0.9
123.04546	2.8
127.04025	1.3
133.01424	0.9
133.06578	1.7
134.03696	0.7
135.04494	1.7
137.06117	1.0
139.04007	1.8
147.04524	64.2
148.04868	2.3
149.06078	2.5
151.04036	1.9
159.04407	0.6
165.05585	1.4
167.03499	1.1
175.04021	0.7
176.04701	1.0
177.05579	2.3
187.07669	0.6
193.04991	3.6
194.05830	1.4
197.11836	0.9
209.11879	1.5
211.06056	4.8
225.09245	1.5
254.76558	0.6
273.11246	1.3
336.79233	0.7
389.12637	0.8
455.86453	0.6
467.17093	1.1
485.18259	2.0
524.99310	0.6
557.20703	1.7
587.21283	7.2
588.21851	1.2
609.27368	0.8
673.28894	3.8
675.28510	0.8
689.25110	0.7
717.25659	1.5
735.26660	6.9
755.82800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43950	1.5
54.60167	1.4
54.60516	1.8
59.01367	6.1
60.99290	5.6
61.98830	100.0
63.86565	1.6
64.00381	1.5
66.00765	1.8
71.01379	2.4
78.95890	2.1
88.00411	4.2
88.98802	40.0
89.02451	14.8
96.96001	5.1
98.20746	3.6
121.02949	3.8
132.20456	1.7
145.03009	1.8
147.04510	4.0
192.39346	1.7
204.05554	1.9
210.00597	1.9
246.54790	2.0
265.14688	6.5
293.04684	1.7
706.60675	1.8
712.34076	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	734.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.98829	100.0
62.98537	0.2
71.01397	0.2
101.02504	0.1
113.02470	0.1
130.03978	0.1
147.04532	0.1
149.58401	0.1
171.18077	0.1
220.57210	0.1
227.49800	0.1
277.21680	0.7
278.22229	0.2
286.99863	0.1
291.23328	0.2
292.23553	0.1
293.21371	0.2
294.21335	0.1
319.22943	0.2
408.93170	0.1
435.71466	0.1
739.14850	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	733.5769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.3
61.98829	3.5
62.74696	0.5
65.64071	0.5
69.43413	4.0
70.04964	0.5
78.95890	0.7
98.19899	1.0
117.05640	0.5
145.37340	0.6
145.48166	0.5
152.99570	0.9
162.99605	0.6
170.91185	0.5
255.23238	0.7
277.21729	8.1
278.22192	0.8
407.33282	1.1
455.35300	100.0
456.35638	13.8
495.44531	0.5
504.80032	0.5
608.72937	0.6
636.25476	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.4
59.01380	16.5
61.98832	100.0
68.99831	0.9
69.03474	1.2
71.01391	4.5
72.99316	3.6
73.02940	0.8
74.01179	0.5
81.03444	1.8
83.05025	2.2
85.02953	18.6
86.03294	1.1
87.00891	2.0
88.98794	0.6
93.03463	1.5
95.05051	1.5
96.96045	1.2
97.02963	2.6
99.00881	8.2
99.04512	4.5
100.01225	1.0
101.02444	16.6
102.02778	2.2
107.05016	1.5
108.02161	0.6
109.02946	1.4
111.04516	4.4
112.04861	0.9
113.02434	1.6
119.05025	1.0
121.02955	4.3
121.06606	1.3
123.04525	1.6
125.02451	2.3
125.50184	0.5
127.04002	1.6
133.06577	1.1
135.04523	1.2
137.06113	2.0
139.04048	0.6
147.04521	18.7
148.04877	4.4
149.06090	1.8
150.03226	0.4
151.03984	0.9
161.06046	0.6
165.05577	1.6
167.03532	0.6
175.03893	0.8
177.05537	0.6
193.05064	2.1
194.05403	1.1
209.11855	1.6
211.06094	1.4
213.09349	0.6
215.10890	0.5
334.01492	0.6
535.23071	0.9
536.32709	0.6
543.25842	0.9
553.24341	0.8
595.26349	0.6
627.28149	3.2
628.28381	0.6
671.27106	19.1
672.27356	2.9
698.33130	0.7
703.27667	2.4
734.25287	38.7
735.25580	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	733.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22892	1.0
52.34523	1.0
53.61864	1.0
57.03441	2.0
57.75352	1.0
59.01381	53.8
61.98829	38.1
63.71572	0.9
68.52686	1.0
68.99825	1.3
71.01383	44.9
72.99311	1.4
73.02941	4.7
74.07021	1.0
75.00873	3.7
79.05507	1.5
81.03459	1.5
83.01381	1.6
83.05020	3.6
85.02954	11.8
87.00870	3.0
88.98841	1.1
89.02460	3.1
95.05009	1.5
97.02938	3.1
99.00887	3.9
99.04526	28.5
101.02451	8.1
101.06084	2.0
107.05052	1.8
109.06609	9.6
111.04486	2.2
113.02451	3.0
119.04976	2.0
121.02960	7.9
123.04534	1.4
125.02465	1.3
125.09686	1.7
127.11218	1.3
131.04990	1.5
133.06592	2.8
135.04559	2.0
142.02689	1.3
145.05074	1.3
145.06598	2.2
147.04517	31.7
148.04913	2.8
151.07573	1.1
157.06616	1.3
159.08163	1.3
161.04588	2.4
161.06009	2.5
161.09712	2.4
163.11305	8.3
171.04469	4.0
171.10222	7.2
177.74869	1.0
181.12344	2.3
183.13875	9.3
185.11804	1.6
187.07603	1.4
189.09198	2.0
193.12299	1.4
199.09727	10.6
199.13393	3.0
201.11316	3.1
207.10249	27.2
208.10577	2.2
209.11823	16.3
211.13388	100.0
212.13763	5.7
213.09138	1.4
225.11304	18.0
227.12921	10.6
229.37135	1.4
231.10310	1.2
235.08142	4.9
253.09296	10.4
373.23990	1.9
375.21341	1.4
383.22263	3.0
391.24811	1.3
401.23337	4.1
418.08078	1.2
419.24261	2.7
429.19315	1.6
443.19089	2.2
445.22293	4.0
447.22256	2.9
461.20306	6.0
463.21671	1.5
472.19241	1.1
510.37180	1.2
514.66168	1.2
585.28497	2.2
593.29138	1.5
597.25226	1.7
609.32434	1.5
611.62201	1.3
637.32294	6.3
641.27618	3.4
643.28821	3.7
644.30182	1.5
655.33307	10.2
656.33539	3.2
657.30688	15.8
658.30353	4.8
673.31201	2.2
675.31738	3.8
689.31262	10.0
690.32819	2.4
715.30676	1.4
733.29883	9.6
734.29675	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01768	0.2
59.01377	100.0
60.01714	1.3
61.98828	4.9
71.01381	0.3
71.52787	0.2
72.03436	0.2
83.05010	1.0
85.02952	1.2
109.06612	0.2
110.43412	0.2
121.02950	0.2
147.04521	14.9
148.04849	0.7
374.20731	0.2
547.42712	0.2
585.28485	0.2
587.26428	1.3
588.26379	0.2
613.28021	1.5
614.28247	0.2
615.35052	0.8
631.29431	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	0.8
59.01378	29.7
61.98829	6.0
67.99966	0.6
68.36059	0.6
71.01379	57.3
72.01730	0.9
72.99303	0.6
73.02940	1.9
74.79346	0.8
74.79796	0.6
75.00877	5.4
81.03453	1.1
83.01386	0.9
83.05022	1.5
85.02960	2.2
87.00877	2.2
89.02441	2.5
95.01392	0.8
95.05017	1.0
97.02944	2.5
97.06562	0.9
98.20491	3.3
99.00861	2.3
99.04531	7.8
100.04861	1.6
101.02437	5.8
101.06100	0.8
107.05055	1.0
109.06591	9.9
110.03733	0.9
113.02447	2.2
117.50009	0.7
119.03538	1.3
123.04530	0.7
125.09715	1.4
135.08183	0.8
143.03491	0.8
145.05069	1.5
147.04524	4.2
161.04549	2.4
161.05975	0.7
163.11304	6.9
164.11650	0.9
167.14409	0.6
171.10321	6.0
180.35236	0.6
181.12360	3.6
181.29253	0.7
183.13896	9.0
185.11823	2.0
189.09174	0.9
193.12343	2.1
199.09750	1.6
199.13364	4.4
201.11298	2.9
207.10260	29.6
208.10625	1.8
209.11827	17.7
210.12166	1.1
211.13382	100.0
212.13713	6.0
215.12871	0.8
225.11320	19.3
226.11563	1.7
227.12878	16.6
228.13255	0.9
229.14221	0.7
235.08180	5.4
243.12421	1.2
253.09317	8.5
268.52200	0.6
277.09271	0.8
339.23279	0.8
373.23825	2.0
375.25613	0.9
383.22128	3.0
391.24936	2.7
401.23276	7.9
419.24283	2.7
443.19287	1.4
447.22266	1.9
461.20276	4.0
463.22073	1.3
493.19400	0.7
609.32416	1.3
619.30383	0.7
636.21857	0.9
637.32379	8.9
638.32788	1.2
655.33319	11.0
656.33844	4.6
673.34448	1.9
688.55261	0.8
733.30652	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	733.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99495	0.4
54.07106	0.4
55.06464	0.5
59.01379	100.0
60.01719	1.0
60.99304	0.7
61.98822	8.4
69.03448	0.7
69.49574	2.2
69.49978	0.9
71.01383	14.1
73.02956	1.6
75.00890	0.6
77.06594	0.5
78.65951	0.5
79.05525	0.7
79.07586	0.5
81.06876	0.5
83.01391	0.7
83.05050	1.1
85.02949	15.1
87.00876	1.0
88.87827	0.5
88.98804	4.2
89.02451	1.9
97.02951	1.2
99.00885	6.6
99.04517	9.9
101.02447	2.5
101.06080	1.3
104.27551	0.7
109.06589	3.0
113.02467	1.1
119.05111	0.6
121.03013	1.2
128.03563	1.5
128.07201	0.6
128.90137	1.1
129.01958	2.1
129.05623	0.9
135.08194	0.7
147.04524	16.8
148.04913	0.8
159.08162	0.5
161.04642	0.6
161.09761	0.6
163.11345	1.8
171.04480	0.9
171.10287	2.1
181.12354	1.0
183.13924	3.7
189.09329	0.8
193.12392	1.3
199.08119	0.7
199.09758	3.6
199.13458	0.8
201.24190	0.5
207.10275	9.0
209.11861	4.7
211.13379	56.5
212.13698	3.0
217.08829	0.6
225.11270	5.8
227.12918	2.2
235.08247	2.0
249.14967	0.5
253.09274	4.4
254.09802	0.6
278.58389	0.7
373.20212	1.3
373.24231	1.2
375.21719	0.5
391.25031	0.6
401.23230	1.3
419.24304	0.8
429.21362	0.6
445.22400	1.2
447.22321	5.4
461.20432	2.9
481.22644	0.8
543.83124	0.6
573.29016	1.1
585.28778	2.1
601.28241	0.6
611.26807	1.2
623.34393	0.8
627.29913	0.8
629.27136	2.6
637.32080	2.0
639.30286	0.9
641.36346	0.7
655.29315	3.4
656.31927	0.7
657.30835	4.2
673.30170	11.3
673.40845	0.7
674.31097	2.3
689.32129	2.6
715.31976	1.1
733.32098	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	24.2
61.98830	97.8
68.99818	1.5
71.01380	15.6
72.99316	2.3
73.02950	10.7
75.00862	4.0
78.87889	1.4
81.03452	2.1
83.05015	2.0
85.02942	24.0
87.00906	2.2
88.13310	1.3
95.05011	1.5
96.19228	1.3
97.06602	1.4
98.20674	3.0
99.00893	5.1
99.04520	72.5
100.04838	1.8
101.02419	3.7
101.06092	2.4
103.05529	2.1
107.05011	3.2
109.06592	2.8
111.04518	1.7
119.05033	2.9
121.02964	27.4
121.06598	1.5
130.04266	1.8
131.05031	2.1
133.06566	2.3
135.04515	2.6
137.06061	2.1
145.06602	1.8
147.04517	78.3
147.11826	1.8
148.04846	4.3
149.06036	2.8
151.07605	1.4
157.06461	1.7
159.08113	4.8
161.06094	6.5
163.11261	1.7
171.04547	6.7
171.08072	2.1
171.10291	2.1
173.09683	5.8
177.05582	2.5
181.12370	1.7
183.13965	1.8
185.09683	4.2
187.07619	1.7
189.05345	1.8
199.09789	1.9
203.07082	2.0
207.10271	6.0
209.11783	6.1
211.07674	8.7
211.13365	20.6
213.09195	2.5
217.08804	1.5
225.11377	4.1
227.12874	2.5
231.10207	6.3
253.09299	1.5
424.08514	1.4
427.21170	2.1
445.22333	26.1
446.22440	2.3
463.23416	2.3
527.26379	3.1
557.25684	2.6
575.26569	4.5
585.28729	6.4
586.28479	1.5
637.32068	2.3
639.29321	2.7
641.26678	3.4
643.29254	2.6
657.30713	100.0
658.31134	20.7
673.30481	3.7
689.33234	30.6
690.33258	7.1
701.26807	6.4
733.30420	11.3
734.31329	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	733.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
57.03441	3.2
58.00584	3.2
59.01380	60.4
59.49360	1.3
61.71626	1.1
61.98809	4.3
71.01378	45.5
71.54939	1.1
72.47234	1.1
72.99307	3.4
73.02937	6.4
83.01384	3.6
83.05025	2.1
85.02955	15.1
87.00860	2.5
89.02444	28.8
95.01374	3.4
96.96007	4.5
97.06606	6.6
99.00894	2.2
99.04512	3.3
101.02440	24.6
105.07022	1.2
107.05032	1.8
108.02147	2.2
109.02940	3.2
111.04521	11.5
111.53284	1.2
113.02441	17.1
113.06056	1.6
117.49850	1.1
119.03493	11.2
134.22507	1.1
135.04514	1.2
141.05565	4.0
143.03479	2.2
152.01082	1.5
157.06563	1.3
159.03020	1.1
159.08153	1.3
159.11769	2.1
161.04536	8.9
161.09688	1.4
161.13370	18.5
165.05524	1.1
169.10199	1.5
179.05574	3.3
185.09592	1.3
187.09619	1.8
187.11276	32.2
188.11588	2.1
188.75159	1.1
203.10677	1.4
205.12335	21.5
229.12337	2.4
229.83771	1.1
231.10187	5.0
237.58945	1.1
247.13344	1.1
249.11273	4.7
275.09421	1.7
303.10919	6.6
321.11871	2.2
351.14435	1.3
383.88632	1.3
411.16473	1.7
491.22641	3.4
535.21844	21.0
536.21997	2.9
553.22888	80.1
554.22992	13.5
599.27887	1.3
630.31842	1.4
674.30530	1.3
715.28180	10.2
716.29297	1.2
733.29211	100.0
734.29559	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	733.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70904	1.4
53.91897	1.4
54.97422	1.4
56.61423	1.4
59.01384	100.0
60.01723	1.9
61.98832	87.5
71.01385	6.6
72.99304	11.3
75.00876	6.6
76.65009	1.2
81.03458	2.7
83.01485	1.3
83.05019	4.2
84.36202	1.3
85.02957	33.5
86.66852	1.2
87.00881	3.3
92.12943	1.5
94.98105	1.6
95.05057	2.4
96.95990	2.9
97.02946	2.1
98.19964	4.4
99.00879	11.8
99.04523	31.2
101.02431	6.1
103.05539	2.1
109.02961	1.8
109.06580	1.8
111.04528	3.8
113.02422	1.5
116.58437	1.3
119.04999	2.2
121.02965	13.4
123.04520	2.7
125.06120	1.5
145.06650	1.3
147.04533	63.5
148.04906	3.8
159.07951	1.7
161.06046	2.1
165.05475	2.0
171.04489	3.5
171.10289	1.5
173.09830	1.4
177.05533	1.6
185.06039	1.7
185.09804	1.5
196.63113	1.3
199.13460	2.3
201.09207	1.6
203.10768	1.5
209.11815	12.6
211.06007	1.5
211.13339	6.5
227.12930	5.0
229.12262	1.4
241.12154	1.4
255.13927	1.9
383.42010	1.3
429.19360	2.6
451.25241	1.5
495.23962	7.8
527.26648	4.0
537.25006	5.0
539.22797	31.4
540.22888	4.9
559.23877	1.8
571.25366	10.0
572.26086	2.0
581.23993	32.5
582.24225	5.7
599.25171	4.0
613.26703	3.2
631.27435	12.0
632.28229	2.4
641.27521	5.3
643.29108	5.1
671.37299	1.7
673.29547	3.1
675.31757	4.9
701.28668	2.0
733.24231	10.6
734.26160	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	733.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
57.03442	3.3
58.00576	3.4
59.01379	74.7
61.75130	1.1
61.98810	2.2
71.01381	65.5
72.99281	5.5
73.02946	6.4
79.95742	3.6
83.01365	4.0
83.05013	3.0
85.02943	18.0
87.00859	2.8
89.02442	35.1
95.01360	5.9
95.04964	2.4
96.96011	76.1
97.06592	8.1
98.95590	5.3
99.00862	2.4
99.04494	5.6
101.02445	31.6
103.04035	1.9
105.07106	1.5
107.04993	2.6
111.04520	12.6
113.01733	1.8
113.02454	22.9
113.93482	1.4
114.87178	1.5
119.03513	13.1
120.99644	1.6
123.04488	2.7
125.02397	1.6
129.01891	2.2
141.05573	2.7
143.03485	2.5
150.03204	1.7
152.04794	1.6
157.06555	2.8
159.02914	1.8
159.11900	2.1
161.04579	14.0
161.09731	2.0
161.13364	33.0
165.05533	2.6
167.03505	1.7
169.10110	1.9
172.08972	1.8
179.05623	3.7
185.09608	2.4
187.11281	51.0
188.11626	3.9
201.60222	1.3
205.10545	2.6
205.12321	34.1
206.12683	2.6
229.12218	3.9
231.10219	4.2
249.11305	8.7
279.10886	2.3
289.11142	88.8
290.11536	9.5
291.11008	5.1
303.10855	10.9
303.20670	1.3
321.11917	4.0
411.16440	4.5
457.46609	1.5
491.22601	8.8
535.21802	36.2
536.22125	7.5
553.22882	72.1
554.23413	12.0
715.28113	19.9
716.28442	4.0
733.29187	100.0
734.29285	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98830	74.6
69.18694	3.6
69.19096	14.4
71.01382	34.1
73.02959	7.8
75.00864	4.0
83.05025	5.7
85.02955	90.4
89.02414	3.7
97.02950	2.2
99.00861	3.8
99.04517	37.2
101.02439	3.7
101.06072	5.4
103.05551	2.0
107.05027	3.0
109.06600	9.5
111.04509	5.7
111.31482	1.6
113.02441	2.6
119.05036	3.7
121.02961	80.0
122.03301	3.4
131.05040	5.3
133.06554	8.7
135.04488	6.8
135.08171	3.2
145.02994	1.8
145.06584	7.1
147.04515	73.8
148.04840	4.1
149.04472	1.8
149.06009	2.8
151.07661	2.0
157.06586	2.2
159.08093	2.8
161.04778	2.5
161.06078	9.3
161.09723	3.2
161.79120	1.6
163.07680	2.8
163.11259	7.1
171.04495	6.5
171.08087	2.9
171.10245	8.4
173.06061	2.9
173.09691	3.8
183.13863	7.3
185.09758	1.9
185.11902	2.1
187.07498	2.4
189.05586	2.2
189.09172	2.6
199.09734	10.0
201.11232	3.2
203.10670	1.9
207.10262	26.8
208.10349	1.8
209.11847	14.4
211.07684	4.2
211.13394	56.8
212.13730	3.4
213.09245	2.3
225.09464	2.3
225.11340	17.3
227.10799	1.9
227.12805	7.8
231.10298	2.2
235.08157	2.3
245.11761	2.1
253.09212	6.2
341.13635	1.9
345.15314	1.6
373.23267	1.9
379.18768	2.0
391.24243	2.2
401.23224	4.0
407.18494	3.1
419.24216	2.6
425.19882	3.7
435.18774	1.9
443.19424	1.9
445.22000	10.0
461.20047	7.2
467.20331	3.3
527.23657	2.5
571.23047	3.2
573.24152	2.3
585.27850	3.4
593.29224	1.9
597.24750	6.9
615.25970	7.6
616.25824	2.5
637.32050	6.3
643.29175	2.8
647.28253	6.7
648.28900	2.7
655.32959	7.1
656.34277	3.7
657.30170	37.3
658.30133	8.7
670.33112	7.1
673.30103	2.1
675.31763	3.7
689.29773	37.5
690.30457	7.4
701.25916	1.9
715.30585	3.2
733.28693	42.3
734.29083	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	733.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
56.98755	0.7
57.03453	1.8
58.79718	0.6
59.01379	100.0
60.01709	1.3
61.98830	13.9
68.99829	1.3
70.83438	0.8
70.83765	1.8
71.01382	4.3
72.99318	1.3
74.68573	0.8
75.00900	1.4
79.05521	1.0
81.03460	1.5
83.05016	4.0
85.02958	2.9
88.45557	0.8
93.03466	1.1
96.95999	1.1
97.02930	1.2
98.00114	2.7
99.00899	2.5
99.04525	12.4
101.02433	4.6
103.05551	1.1
105.07101	0.7
107.05035	2.8
109.06615	3.3
111.04519	6.5
112.98602	2.1
113.06150	0.7
115.05530	4.8
119.05028	1.2
121.02953	16.5
123.04501	1.6
127.03990	1.0
129.07042	0.8
131.05002	0.9
133.06609	1.3
135.04526	5.9
137.06125	2.3
141.05602	1.0
141.07114	3.6
143.05040	4.1
145.06604	2.6
147.04517	27.0
147.08180	1.4
148.04900	2.1
157.06590	3.7
161.06035	1.2
165.01904	1.2
167.07202	1.5
168.75658	0.7
171.04539	1.1
175.07677	1.2
183.04501	1.9
184.05287	27.2
185.05936	4.0
189.09348	0.8
193.05038	1.0
193.08708	1.4
211.11490	0.8
211.13416	2.1
213.09279	0.9
218.10860	0.8
225.11234	0.9
233.04082	0.7
247.14920	0.9
250.44376	0.7
263.14459	1.8
273.16599	1.8
277.12326	0.8
291.14078	1.0
317.15317	1.2
370.50656	0.7
467.21149	0.9
483.25644	1.0
498.97852	0.7
509.23624	0.9
513.21301	2.2
527.24622	1.3
555.23541	0.8
569.25500	1.5
571.27069	4.4
572.27527	1.0
573.24884	1.0
585.28918	3.1
587.26410	1.5
597.25055	3.7
603.29681	1.0
613.27985	17.3
614.28778	4.3
615.25922	6.9
616.26044	1.5
629.27692	5.7
645.30762	0.8
647.28571	1.3
657.27020	17.4
658.27380	4.6
666.96588	0.9
689.29614	7.0
690.30505	1.7
701.26190	7.5
702.26410	1.4
715.32654	0.8
717.68518	0.9
733.28546	39.2
734.11078	1.0
734.28809	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	733.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
58.72872	0.5
59.01379	8.1
61.98825	18.2
65.80206	0.5
66.37949	0.6
67.01914	0.5
68.99806	1.1
69.03464	1.1
69.25098	3.1
69.25514	1.5
71.01003	1.2
71.01379	15.2
72.99303	0.6
73.02945	1.2
75.00901	0.6
79.05525	2.7
80.02673	0.6
81.03449	2.4
83.01373	1.5
83.05024	3.0
83.80570	0.5
85.02949	100.0
86.03288	2.6
87.00872	1.4
88.98802	3.2
89.02428	0.9
93.03443	3.7
95.05022	2.8
97.02950	1.9
99.00880	36.1
99.04494	3.3
100.01207	0.9
101.02422	1.4
103.05576	1.0
105.07103	0.7
107.05032	1.5
108.02166	0.7
109.02962	1.7
109.06583	2.1
111.04523	5.4
113.02440	0.7
113.06087	1.6
115.00381	1.0
119.05036	2.1
121.02946	5.6
121.06583	4.0
122.03696	0.6
123.04541	2.7
123.08176	0.6
125.02464	0.6
129.07167	0.6
132.05836	0.6
133.06609	1.4
135.04509	2.4
135.08026	0.7
137.02440	2.9
137.06096	0.8
139.04007	1.9
143.05002	1.1
145.06613	1.1
147.04524	32.0
148.04892	1.8
149.06064	4.6
151.04033	1.0
156.05785	1.0
159.04564	1.5
159.08141	1.0
161.06073	2.4
161.09744	1.0
163.04057	0.7
163.11288	1.6
164.04784	0.9
165.05522	0.8
167.03490	1.0
167.07199	0.7
171.04561	0.7
171.08153	2.2
171.10254	1.3
173.06024	1.5
175.03984	1.2
175.07651	0.9
176.04739	0.8
177.05540	1.4
183.13884	1.6
185.06093	1.5
187.04002	0.6
187.07700	0.8
188.04855	0.7
189.09192	5.7
193.05032	1.3
194.05843	0.7
195.08253	0.8
197.09799	0.8
199.07645	0.6
199.09686	1.3
199.11311	1.3
203.07149	1.3
207.10277	4.9
209.11748	3.3
211.05989	0.7
211.07799	0.8
211.13367	15.8
212.08472	0.8
212.13860	0.6
213.09100	1.0
215.07089	2.2
223.07658	0.7
225.11282	3.9
227.10713	2.7
227.12897	1.5
233.08153	3.2
235.08116	0.9
237.09174	1.0
253.09227	2.0
253.11853	0.5
255.10228	0.8
261.12793	1.1
283.09787	0.9
299.13110	1.0
343.11932	1.6
371.11417	1.3
389.12418	5.8
390.12622	0.9
401.23425	1.0
419.24493	1.0
441.19537	0.8
457.18805	1.1
461.20447	1.0
467.17389	0.6
471.20139	1.4
479.20886	0.8
485.18066	7.6
509.21426	1.1
525.21399	1.6
535.19507	0.7
541.25549	3.3
542.25928	0.6
543.22321	35.5
544.22638	6.5
553.20844	2.0
563.22449	1.6
571.21790	81.9
572.22174	13.9
573.25415	1.1
585.24652	3.5
586.24945	0.8
611.23529	2.0
629.23938	0.7
637.33038	0.7
655.25275	2.2
655.34442	0.8
657.27081	0.7
669.27417	0.8
670.33246	1.2
673.26447	26.2
674.26978	6.6
687.27917	1.8
701.25824	3.3
716.08569	0.8
733.29248	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98826	17.2
71.01365	2.6
71.51847	1.5
72.41668	0.9
81.03416	1.1
83.01373	2.5
83.05006	3.3
85.02954	5.9
87.00812	1.1
97.06584	1.0
99.04511	2.1
103.05521	2.9
107.05045	1.9
109.02980	1.0
111.04482	3.2
115.05496	1.3
117.07130	1.7
119.05032	2.9
131.05028	10.4
133.06604	10.7
134.06873	1.0
135.04485	3.4
138.66823	1.2
139.89258	1.0
141.05595	0.9
145.06567	3.8
147.04520	91.8
148.04836	5.0
149.06068	1.1
151.07530	1.5
157.06580	1.7
159.08162	1.2
161.06081	25.8
161.09726	1.3
161.29028	1.0
162.06337	1.1
167.07069	1.0
171.04478	3.4
171.08156	1.8
173.05978	2.8
173.09683	2.0
175.07721	1.1
200.08493	1.1
209.09761	1.1
211.13286	1.2
213.09129	3.6
215.10774	1.7
249.13109	1.2
379.19083	1.5
397.19995	1.2
407.18542	2.2
425.19553	4.4
439.20764	1.4
441.18982	2.1
443.20575	1.3
467.20651	4.0
485.21765	3.0
527.23730	3.5
555.23730	1.1
559.26947	1.2
573.24921	4.2
587.26404	1.5
597.24829	8.0
605.27673	8.7
606.27966	1.7
615.26166	6.3
616.26324	1.6
629.27582	3.8
647.28326	5.1
657.27008	10.1
658.27142	2.5
673.26349	1.1
689.29584	18.6
690.30164	4.4
701.25818	1.4
705.29736	1.1
733.28577	41.7
734.28662	11.1
734.40186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03435	0.7
59.01379	23.2
61.98832	8.6
68.99805	1.6
70.70956	0.8
71.01375	11.4
73.02954	1.2
75.00876	2.3
78.07707	0.8
78.95944	0.9
79.57022	0.9
83.01389	0.9
83.05039	1.8
85.02951	100.0
86.03259	1.1
87.00877	1.4
93.03466	2.7
95.05031	2.9
97.02954	2.0
99.00883	21.7
99.04501	1.4
101.02455	1.6
101.06120	1.0
103.05536	1.9
105.01926	1.4
107.05025	1.6
109.02959	3.2
111.04564	1.4
115.05530	0.8
119.05025	2.8
121.02962	4.7
121.06610	3.2
123.04562	4.1
126.65762	0.8
130.04259	0.8
131.05002	1.6
133.06575	2.6
135.04541	2.1
139.04030	1.2
143.05040	1.8
145.06589	2.5
147.04521	84.4
147.84814	0.7
148.04822	4.1
149.06097	2.7
157.06561	2.7
159.04611	1.1
159.08142	1.4
161.06015	1.7
163.07616	0.8
171.04518	1.2
171.08133	1.0
173.06065	2.4
175.04031	1.8
175.07657	2.2
177.05522	1.5
177.09230	1.0
184.05241	4.2
185.06050	3.0
187.07629	1.3
189.09212	1.0
193.05066	1.6
200.04784	0.8
201.05559	1.0
203.07152	5.2
211.13431	1.7
221.08263	1.0
256.83633	0.9
319.13388	0.8
321.14880	2.0
377.17664	1.0
400.30505	0.9
463.21304	1.4
479.20535	1.1
507.06369	0.8
507.20984	1.1
513.21228	1.0
553.20441	1.1
585.25220	1.3
587.23145	2.5
611.26086	3.2
613.27435	2.6
614.26880	0.9
629.24420	2.9
637.23901	1.2
655.25085	4.0
656.26135	0.9
657.27069	4.6
673.26422	21.9
674.27051	5.5
683.24915	1.2
684.14124	1.0
701.26025	9.6
701.36743	1.3
702.26923	2.2
733.28986	6.1
734.29529	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79293	1.0
57.03439	1.7
59.01378	100.0
60.01706	1.1
61.25866	1.0
61.98830	14.6
63.99253	0.9
65.85933	0.8
68.99833	1.1
69.03461	1.1
69.77271	5.1
71.01383	6.3
72.99301	1.7
73.02929	4.1
81.03426	1.1
83.01387	2.8
83.05019	4.7
85.02939	2.7
87.00881	1.2
93.03409	1.5
95.05049	2.0
97.02952	1.9
98.55065	1.0
99.00876	5.6
99.03914	1.4
99.04518	17.2
101.02462	5.1
101.03918	0.9
101.06082	44.2
102.06406	1.4
103.05531	3.5
107.05032	3.9
109.06581	1.7
111.04460	4.6
115.05503	2.3
117.07106	2.5
119.05006	3.6
121.02966	1.1
121.06603	2.5
123.04516	1.5
125.09727	0.8
127.04007	2.3
131.05017	10.8
133.06598	11.0
135.04489	4.4
135.08052	1.7
137.06143	1.2
144.38150	0.8
145.06581	3.0
147.04520	93.6
148.04875	3.6
149.06082	3.1
151.07579	1.1
157.06589	1.9
159.04495	1.0
159.08125	2.7
161.06082	26.9
161.09801	1.5
163.07652	2.8
167.03462	1.0
171.04526	5.9
171.08170	3.0
173.06114	1.5
173.09732	2.3
175.07596	1.3
177.05563	0.9
179.07123	1.2
183.08078	1.2
185.09749	2.3
187.07513	1.2
189.05673	1.1
189.09192	2.9
199.07648	1.1
207.10101	1.0
208.55817	1.0
209.11807	1.3
211.07713	2.9
211.13361	3.2
213.09273	2.6
215.10770	2.4
233.08163	1.2
245.11790	2.2
247.09572	1.0
341.14014	2.0
379.19046	1.1
405.16974	2.4
407.18552	1.9
425.19705	2.5
433.16385	2.4
441.19464	1.4
445.22232	5.4
451.17563	2.4
459.59512	1.0
467.20676	3.6
468.21194	1.2
469.18930	1.8
485.21658	2.1
487.19751	1.6
527.23145	4.4
529.21088	3.0
541.26508	1.4
555.24200	1.6
571.22565	1.1
573.25043	3.3
585.28296	1.2
597.24927	6.8
598.25391	1.6
605.27130	6.6
606.27875	2.7
615.25873	5.9
629.27759	3.0
630.27838	1.2
643.28760	1.1
647.28339	5.1
657.30157	21.3
658.30505	3.8
670.32184	1.4
673.27887	5.0
689.29883	20.8
690.30298	4.3
715.30835	1.1
733.28326	45.6
734.28754	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	733.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.8
60.99306	17.4
61.98833	6.3
71.01385	0.9
71.54192	0.7
76.35199	0.4
80.97083	0.5
85.02961	1.0
88.98804	100.0
89.99137	1.1
93.61674	0.4
96.95990	1.1
99.00871	0.6
99.04520	1.6
106.98682	0.5
116.92856	1.1
121.02945	2.3
128.69446	0.4
147.04510	0.6
179.42572	0.4
206.05939	0.4
209.11766	1.1
215.10774	0.7
341.80026	0.5
343.95932	0.5
485.21765	0.6
499.95300	0.4
641.28882	0.5
643.27820	2.4
644.27649	0.7
733.35693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27316	0.3
52.12509	0.3
56.39537	0.4
56.59010	0.3
59.01380	8.7
60.99306	16.9
61.98831	17.1
65.11386	0.4
71.01378	1.0
73.62419	0.3
75.00851	0.4
76.93595	0.3
79.55101	0.3
85.02952	1.3
87.04519	5.9
88.98804	100.0
89.99136	0.9
96.96004	0.8
97.02981	0.3
98.20668	0.9
99.04518	2.0
101.06086	0.9
111.04509	0.5
113.02426	0.4
115.04008	0.7
116.92836	0.4
121.02953	17.7
135.04465	0.4
147.04515	0.7
176.85791	0.4
195.81989	0.3
209.11896	2.1
420.74863	0.4
457.73148	0.4
573.23328	0.4
599.28845	0.4
638.49408	0.4
641.29065	0.7
675.34375	0.4
702.28918	1.4
733.31293	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2496
Annotation	chloramultilide C
Peak:m/z	Relative Intensity
51.83435	0.4
55.01868	0.7
57.03208	0.7
57.03448	8.0
59.01114	0.5
59.01377	6.8
61.98827	4.8
68.99789	1.3
69.03460	3.0
71.01381	10.1
72.99310	11.5
73.02920	1.4
75.00851	0.6
79.05501	0.7
81.03458	2.4
83.05035	4.8
85.02457	0.8
85.02950	12.8
87.00883	4.2
90.91503	0.4
93.03462	5.0
95.01376	1.1
95.05009	4.3
96.95986	1.1
97.02943	5.1
99.00878	21.3
99.03924	0.7
99.04524	10.3
99.12639	0.4
101.02443	36.6
101.06073	0.9
102.02776	0.8
102.11407	0.4
103.05488	0.5
107.05012	2.1
108.02170	1.0
108.32166	0.4
109.02949	3.1
109.06605	0.9
111.04523	13.6
113.02441	3.9
114.90573	0.4
115.00314	0.5
119.04987	1.8
121.02960	5.7
121.06590	3.5
122.03773	1.0
123.04525	6.3
125.02451	5.4
127.03183	0.4
127.04021	5.2
129.01875	0.8
131.04982	1.1
134.03706	0.8
135.04498	0.8
137.06062	3.6
139.03990	3.3
145.06580	0.7
147.04521	33.7
148.04842	1.0
149.02414	1.3
149.06084	4.4
150.03148	1.8
151.03986	2.2
159.04533	0.4
161.06108	1.0
163.03911	0.5
164.04793	0.7
165.05591	4.3
167.03503	2.8
171.04509	0.8
175.04012	0.7
177.05460	1.0
193.03607	0.6
193.05058	6.5
207.10283	1.0
209.11760	1.4
211.06053	4.0
211.07687	0.5
211.13382	2.6
225.11223	0.7
336.08585	0.4
351.18890	0.5
401.23227	0.5
417.77136	0.5
427.20908	0.5
521.18292	2.7
588.00775	0.6
639.29565	0.8
641.27234	1.1
657.30316	1.9
671.31555	0.5
675.31281	0.8
689.32648	0.8
701.27704	0.6
715.31158	1.9
716.32355	0.5
733.24908	100.0
734.25214	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	733.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03448	10.7
59.01380	9.8
61.98829	36.8
65.03982	0.6
67.01866	0.9
68.99811	1.5
69.03451	2.8
71.01016	0.6
71.01381	10.7
71.52844	0.8
72.99309	10.6
73.02953	1.5
75.00858	1.5
79.56055	0.5
81.03460	3.0
83.01377	1.4
83.04652	0.5
83.05025	5.3
85.02949	16.7
87.00871	4.3
88.98782	1.0
91.05489	0.5
93.03460	6.5
95.01372	2.1
95.05022	4.5
96.96008	0.7
97.02439	0.5
97.02953	5.8
99.00879	24.3
99.04521	11.3
100.01203	0.9
100.04832	0.7
101.02440	50.2
102.02785	1.2
103.05524	1.1
106.04208	0.8
107.05047	2.6
108.02154	1.1
109.02956	4.2
109.06520	0.6
111.04517	17.0
113.02451	5.8
116.92797	0.7
117.07034	0.5
119.05000	2.2
121.02962	9.5
121.06573	4.2
122.03742	1.1
123.00832	0.6
123.03759	0.5
123.04549	6.0
125.02449	6.7
127.04006	7.0
131.04970	1.3
133.06541	0.7
135.04469	2.2
136.01694	0.7
137.02461	0.7
137.06097	5.2
139.03984	3.0
147.04517	39.9
148.04816	1.7
149.02377	0.7
149.06062	6.2
150.03191	2.1
151.03999	3.4
159.08086	0.5
161.06079	1.7
161.09740	0.6
165.05573	5.3
167.03499	3.1
167.07074	1.0
171.04514	0.5
171.10248	0.7
175.03975	2.0
176.04759	0.6
177.05528	1.4
183.06615	0.9
193.03369	0.8
193.05040	7.9
194.05672	1.1
207.10297	1.2
209.11746	2.9
211.06085	4.4
211.13362	2.0
214.09856	0.5
215.07072	0.5
227.12849	0.8
229.08662	0.5
383.36890	0.6
410.39572	0.5
422.94800	0.6
429.19537	0.7
521.18207	1.4
522.18585	0.5
569.26666	0.6
581.27618	1.0
585.28766	0.6
599.29181	0.7
641.27429	1.8
643.29785	1.0
655.33136	0.8
673.31256	0.8
675.31653	1.0
733.24908	100.0
734.25214	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	732.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77467	0.1
54.13237	0.1
57.03430	0.1
59.01384	1.4
61.36170	0.1
61.98828	100.0
62.98526	0.2
71.01366	0.8
71.54436	0.1
73.02953	0.3
75.00851	0.1
85.02965	0.4
87.00852	0.2
87.55200	0.1
89.02444	0.4
96.96007	0.9
101.02467	0.5
103.04046	0.1
113.02456	0.4
119.03536	0.3
120.99677	0.4
121.02950	0.2
133.01421	0.1
161.99187	0.1
209.11923	0.2
306.84427	0.1
373.98459	0.2
442.84122	0.1
669.40131	0.1
672.41473	0.2
704.62061	0.1
732.30054	0.2
732.41364	0.2
733.31311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2492
Annotation	chloramultilide C
Peak:m/z	Relative Intensity
55.01872	0.9
56.47459	0.4
57.03445	9.5
59.01378	10.3
60.99291	0.5
61.98827	6.0
65.03972	0.5
67.01889	0.6
68.99805	0.9
69.03468	2.7
70.43074	0.5
70.43407	0.9
71.01006	0.7
71.01381	9.2
72.99306	9.4
73.02927	1.6
75.42458	0.3
79.05535	0.5
81.03448	2.5
83.01371	0.6
83.05023	4.6
85.02464	0.7
85.02952	12.6
86.03273	0.4
87.00861	3.7
88.00331	0.4
88.98814	4.2
89.02440	0.6
93.03454	5.6
93.51827	0.4
95.01363	1.3
95.05028	5.1
97.02952	5.6
98.20187	0.5
99.00880	21.4
99.04517	9.0
101.02441	41.0
101.06066	1.4
102.02783	0.6
103.05499	0.5
105.03421	0.5
107.05054	2.0
108.02150	1.0
109.02934	2.8
109.06590	1.1
111.03739	0.8
111.04516	15.8
112.04884	0.4
113.02460	3.6
118.97211	0.4
119.05026	2.1
121.02952	5.8
121.06567	3.2
122.03749	1.1
123.04521	5.4
125.02454	5.8
127.04005	5.4
131.05037	0.8
133.06606	0.7
134.03690	0.7
135.04501	1.3
137.02448	0.4
137.06070	5.1
139.04002	3.3
147.04520	29.5
148.04869	0.8
149.02402	1.5
149.06073	4.9
150.03206	1.0
151.03957	1.5
157.49997	0.5
159.38617	0.4
161.06071	0.9
163.04030	0.8
164.04762	0.9
165.05569	4.7
167.03453	2.8
167.07185	0.6
171.10213	0.4
175.03979	1.2
183.06581	0.6
185.09772	0.4
193.03365	0.6
193.05051	7.7
200.83316	0.4
209.11642	0.6
211.06081	3.6
211.13304	0.6
223.11160	0.6
227.12909	0.5
241.08704	0.6
317.51437	0.4
322.52267	0.4
385.91660	0.4
509.25531	0.5
521.17993	3.3
521.25171	0.7
537.87518	0.4
555.26093	2.5
569.27289	1.0
581.27765	3.6
582.27612	0.5
599.28577	2.2
641.29755	1.8
645.21008	0.4
653.33124	1.2
727.58899	0.4
733.24927	100.0
734.25238	21.5
757.65344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
59.01381	100.0
61.98832	89.1
61.99163	3.1
63.91412	1.3
68.99524	1.6
71.01372	7.2
72.99302	2.6
73.02953	8.5
74.73293	1.5
75.00856	5.3
83.05013	2.8
84.95120	2.2
85.02956	9.5
87.00887	7.3
96.95988	4.7
97.02938	1.6
99.00831	1.7
99.04523	68.7
112.98576	2.3
115.00339	2.9
121.02940	7.5
121.25142	1.3
125.02467	1.8
134.83554	1.4
152.04785	7.9
154.06339	6.0
181.12402	1.4
209.11804	5.5
225.11299	5.2
227.12794	2.1
295.15369	2.9
337.16150	1.9
347.22400	3.2
349.20496	2.5
403.20825	1.8
419.69299	1.9
473.25333	6.9
475.23456	1.7
485.25595	2.4
503.26563	3.0
515.26123	3.3
527.26416	2.8
538.24133	1.6
549.27173	3.3
555.26013	3.3
557.27222	2.6
573.26263	2.4
589.27179	1.9
591.28027	12.7
592.28064	2.0
597.27106	9.0
621.26965	6.1
639.27911	13.4
640.28253	2.0
649.28589	23.8
650.28662	3.7
653.29645	12.7
654.30493	2.0
655.31702	4.6
671.31177	17.6
672.30676	4.1
673.32373	20.8
674.32037	5.4
713.31989	4.6
731.32739	82.3
732.33276	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	731.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63781	0.7
56.22370	0.7
57.30449	0.7
59.01374	3.0
60.99301	1.0
61.98825	3.1
63.47780	0.6
64.65793	0.7
71.01389	1.3
73.02939	1.4
76.34610	0.8
81.03467	1.0
83.01378	0.9
83.05029	2.9
87.00906	0.7
88.98783	4.1
97.36703	0.9
98.20289	3.9
99.04516	100.0
100.04850	2.3
101.02433	2.4
103.05545	1.0
107.05038	2.6
111.04507	1.7
115.05504	1.1
119.05016	1.1
121.06580	0.8
125.02440	1.1
131.05016	2.0
133.06577	2.7
135.04520	2.4
147.04515	44.6
147.08092	0.9
147.72238	0.7
148.04852	2.1
151.04050	0.8
159.08124	0.9
161.06090	3.7
161.09743	1.6
167.07118	2.7
167.31688	0.7
171.04454	1.0
184.05321	2.4
185.09761	4.0
187.07664	1.0
193.08762	1.0
201.09247	1.0
213.09120	1.4
247.13234	1.1
289.07095	0.7
365.35913	0.7
413.61676	0.8
425.19656	1.4
439.20966	0.8
443.20752	2.4
448.12000	0.9
527.24408	2.2
555.24109	2.5
611.30066	1.6
627.29547	1.3
637.28571	0.8
655.29077	10.4
656.29724	1.8
686.85968	0.8
687.31714	13.3
688.31702	4.3
699.27661	1.1
726.50739	0.7
731.30713	39.5
732.31036	10.8
732.42841	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	9.9
61.98833	100.0
65.54770	4.4
71.52603	6.9
75.98850	4.2
97.10152	3.7
99.04506	5.2
128.52591	4.1
134.60408	4.3
143.38791	4.0
191.87631	3.9
209.11824	9.6
211.13370	4.8
239.28267	3.8
282.04871	4.2
522.62628	4.3
597.36835	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.7
59.01379	52.1
60.01721	0.9
61.98829	100.0
63.99252	2.5
68.99545	4.0
71.01385	1.7
71.53645	1.0
73.12086	0.6
75.00852	0.7
83.01405	0.7
83.05030	1.8
85.02957	3.1
85.70422	0.5
87.00861	0.6
88.98814	1.5
96.96033	1.8
99.00837	0.7
99.04521	11.7
100.04848	1.4
101.02470	0.6
101.06079	22.1
107.05009	0.7
109.02960	0.8
109.06603	0.7
111.04541	0.6
112.98572	4.1
113.02396	0.8
115.00387	0.5
121.02947	4.7
127.03995	2.6
133.06580	1.3
139.07687	0.7
147.04532	3.1
147.08179	0.8
159.08176	1.1
170.07336	0.5
171.10193	1.2
185.11914	0.5
198.06924	1.0
201.09081	0.6
203.10786	0.9
209.11800	0.7
213.09280	1.0
215.10838	0.7
223.13428	1.0
274.79764	0.6
299.42334	0.6
335.16806	0.7
355.61227	0.5
372.75418	0.6
373.20438	1.8
427.21140	7.5
428.21350	0.7
451.21255	0.6
455.24350	1.7
473.22177	0.6
483.28461	0.8
493.22284	3.6
511.27243	8.5
512.27521	1.1
537.21411	2.6
537.28772	1.0
538.21265	0.7
541.28357	1.2
553.28290	2.0
555.25983	2.2
579.26038	1.0
595.29059	6.5
596.29901	1.1
597.27509	1.3
611.28662	0.8
617.27881	1.3
619.29065	0.6
639.28088	27.4
640.28223	5.6
649.29126	1.0
651.31573	0.8
653.32092	6.0
669.29034	0.6
671.30713	4.3
672.31897	0.8
687.41394	1.0
688.73804	0.7
699.30280	1.1
731.32391	4.5
732.33124	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01723	1.0
61.48557	0.2
61.98829	3.3
69.33994	0.2
70.03883	1.0
76.88342	0.2
83.05051	0.2
84.56897	0.2
98.38727	0.3
101.93359	0.2
103.05602	0.3
113.06070	0.3
145.06662	0.3
147.04521	23.4
148.04857	1.2
167.98805	0.3
227.10706	1.6
351.53650	0.3
363.16010	0.4
403.19263	0.2
409.20282	0.4
430.39255	0.2
435.21628	0.3
437.19794	0.7
463.21408	0.9
585.25134	1.6
586.25323	0.4
611.26343	1.2
629.27661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.6
57.58488	0.4
58.46502	0.5
59.01376	3.6
61.98830	21.9
68.99812	0.8
69.40791	0.8
69.41190	2.9
71.01379	0.9
73.02952	0.8
74.35683	0.5
79.05531	0.8
81.03444	0.6
83.05036	3.6
85.02955	2.1
88.98801	0.7
95.05031	0.5
97.76511	0.5
98.00100	1.9
99.04518	100.0
99.18034	0.6
100.04836	2.8
107.05033	3.1
109.06571	1.7
111.04523	2.0
115.05537	3.5
119.05012	0.8
121.02951	1.5
121.06617	0.9
127.03980	0.9
129.07074	0.7
131.08629	0.6
133.06616	0.8
135.04532	2.9
135.08141	0.7
135.24625	0.5
141.07137	2.4
143.05023	2.7
145.06580	0.9
147.04518	17.0
147.08160	0.9
148.04869	1.1
149.06032	0.8
151.07622	0.5
155.08652	1.0
157.06592	1.9
161.06093	0.8
167.07097	2.8
167.08505	0.6
171.10228	1.1
173.06137	0.5
181.15257	0.6
183.04510	0.9
184.05283	13.8
185.05963	2.2
185.09729	3.5
187.11267	0.5
192.07944	1.1
203.07233	0.7
211.07455	0.6
213.09206	0.7
233.09663	0.7
235.11337	0.8
247.14949	1.2
255.11281	0.6
257.12943	0.7
263.14389	1.4
273.16434	1.0
291.13873	1.4
317.15424	0.7
410.20734	0.5
425.19705	0.6
443.20691	1.4
457.22031	0.6
483.25009	1.0
498.02847	0.6
511.23279	1.2
523.26044	0.6
527.24707	1.7
528.24756	0.7
529.26111	1.2
537.22748	0.8
543.27203	1.6
555.24036	1.4
571.24841	1.0
573.24365	1.8
587.26221	1.2
601.27509	0.6
611.30115	8.3
612.30206	1.5
615.24408	0.6
627.29169	1.4
633.26141	0.7
637.28046	1.2
643.32440	2.9
655.29102	11.2
656.29523	2.4
687.31775	5.4
688.32214	1.2
699.28149	6.1
700.28247	0.8
731.30676	32.7
732.31030	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	731.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.9
60.01710	0.6
61.98828	9.3
65.56772	0.3
69.03433	0.3
71.01375	0.7
73.02946	0.4
75.00875	0.5
79.05493	0.6
79.19954	0.3
81.03445	0.5
82.95451	0.4
83.01395	1.6
83.05022	2.3
85.02962	0.8
88.98794	0.9
93.03437	0.4
95.05017	0.4
96.96018	0.6
99.04519	100.0
100.04842	2.7
103.05544	0.8
105.07118	0.5
107.05032	2.2
107.05634	0.4
111.04520	1.3
115.04028	0.6
115.05565	0.7
117.07092	1.2
119.05016	1.4
121.02937	1.8
121.06580	0.7
123.04527	0.4
123.41879	0.4
131.05029	2.8
133.06593	4.0
135.04530	1.9
135.08145	0.6
136.11650	0.4
137.06059	0.4
140.29674	0.3
145.06566	0.9
147.04521	50.0
147.08076	1.1
148.04863	1.9
149.06055	0.7
157.06602	0.8
159.08154	1.2
161.06081	3.8
161.09721	1.7
162.10127	0.4
163.07648	0.4
167.07121	2.3
170.07359	0.4
171.04491	1.4
173.09657	0.8
175.07582	0.9
177.05542	0.5
185.09689	3.4
187.07568	0.7
187.11269	1.1
188.08299	0.4
189.09193	0.7
192.07857	0.4
193.08623	1.3
197.09727	0.4
198.06830	0.5
199.07591	0.8
201.09290	0.4
206.57227	0.3
209.11632	0.5
211.07669	1.1
213.09219	1.9
215.10652	1.0
229.08759	1.2
245.11719	0.8
341.14017	1.0
343.13068	0.5
361.18179	0.6
379.19049	1.1
395.18787	0.5
397.20303	0.8
404.96347	0.4
407.18488	0.6
413.19644	0.6
415.21021	0.8
425.19730	1.8
429.21564	0.8
439.21301	1.1
443.20660	2.2
461.21884	0.8
497.73370	0.4
509.24445	1.4
510.25595	2.0
511.25980	3.4
514.31165	0.4
525.25116	0.9
527.24646	2.6
553.27264	0.5
555.24078	1.8
559.27008	1.0
569.27539	1.3
573.24792	1.4
594.27264	1.0
595.28247	3.9
596.28162	0.5
605.26843	0.6
611.30658	0.6
627.30670	1.5
628.30334	0.5
633.29681	0.5
651.31073	0.6
655.29004	7.9
656.29193	1.8
687.31683	12.3
688.31982	2.4
695.30597	0.5
731.30725	36.6
732.18903	0.7
732.31073	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	731.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92185	1.0
54.14664	0.9
57.03450	39.7
59.01378	42.2
68.60619	0.9
71.01383	11.8
71.53805	1.5
73.02946	16.7
75.95677	0.8
81.03445	1.3
83.01386	2.7
85.02951	17.9
87.00875	1.8
87.04510	10.4
89.02457	2.6
95.01350	1.0
96.96007	26.8
96.96620	1.8
97.02953	3.5
99.00872	2.3
99.04514	36.3
100.04837	1.0
101.02438	20.5
103.03999	15.3
108.99092	0.9
109.03004	1.3
113.02495	5.4
113.04057	1.0
115.04002	6.2
117.05577	17.6
119.03505	1.2
119.05026	1.2
119.60482	0.8
121.02923	1.7
122.68266	1.0
125.02441	13.9
129.01941	10.7
133.03000	1.0
135.04416	1.6
143.03505	2.8
145.05092	1.2
147.02983	16.7
147.04706	1.0
151.04170	1.0
159.03011	1.1
159.06602	3.3
161.02379	1.1
161.04562	3.9
169.52190	0.9
179.03493	2.3
189.05562	1.4
191.01898	1.7
195.06557	1.2
197.15396	2.0
209.02972	1.2
209.08208	1.5
221.10295	15.1
225.14914	1.9
243.16040	8.4
247.08356	1.1
251.05576	1.0
255.77824	1.0
257.13947	4.7
263.11395	7.7
265.09283	6.4
279.14600	1.5
303.14545	4.2
309.06152	1.1
321.11871	6.0
321.15082	1.6
323.11655	36.4
324.11865	2.8
325.11816	1.5
362.21545	1.0
365.14459	100.0
365.17801	4.7
366.14899	5.9
373.15195	1.6
394.80164	0.9
421.16785	1.4
473.13025	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	731.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20954	0.7
59.01372	2.9
60.38259	0.8
60.99303	18.7
61.98829	10.0
69.24469	6.7
71.01382	0.9
87.00880	7.6
88.00394	1.7
88.98804	100.0
89.02441	40.6
90.29836	0.7
101.96927	0.9
109.79062	0.9
115.96039	0.8
203.10123	0.9
261.16281	1.0
368.52063	0.9
438.13708	1.3
439.14676	1.3
446.82260	0.9
467.13434	2.6
481.15100	13.6
481.21863	0.9
482.15756	5.6
495.16653	2.4
497.18472	3.0
514.15021	8.9
515.15106	1.8
525.14117	1.2
528.16626	1.0
540.16388	5.7
541.16882	1.0
555.18872	44.4
556.18909	10.2
572.15509	7.1
573.16132	1.3
641.22321	2.7
659.23505	27.7
660.24225	6.3
671.19458	1.1
731.25623	8.2
732.25525	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	731.298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96083	0.8
57.03449	85.1
58.03814	1.3
58.29949	0.9
58.69963	0.8
59.01379	66.7
67.09560	0.9
69.76771	2.5
69.77182	2.4
71.01379	14.2
73.02940	7.2
78.76817	0.9
81.03481	1.1
83.01385	4.6
85.02950	19.7
89.02451	7.9
96.96006	1.0
97.82203	0.9
98.20415	2.8
99.00894	1.7
99.04519	69.6
100.04871	1.8
101.02439	34.1
103.04018	10.0
111.04505	2.9
113.02442	6.6
117.05578	4.9
119.03548	1.5
125.02450	23.1
126.94979	0.8
129.01949	19.9
133.01431	1.2
134.03732	2.3
135.04475	1.7
143.03499	4.1
145.01501	1.0
145.05029	1.2
147.02992	32.3
155.03493	3.4
156.03561	0.9
161.04541	6.3
163.04012	1.6
166.83279	0.9
167.07249	1.0
173.04623	1.4
179.03485	2.6
193.05116	2.5
195.06662	4.5
209.03075	1.5
221.10301	27.3
222.10693	1.3
222.94933	1.0
247.08243	1.6
263.11359	12.6
265.09262	8.8
303.14450	5.1
307.10239	2.3
309.06183	3.5
321.15616	2.1
337.11316	2.4
365.14502	100.0
366.14783	6.8
421.13052	8.8
508.35590	1.0
525.15302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69711	0.1
59.01365	0.2
61.98830	100.0
62.77917	0.1
71.01389	0.3
78.42897	0.1
78.87489	0.1
80.96530	0.4
91.02969	0.1
94.57228	0.1
142.84261	0.1
171.10291	0.3
172.10643	0.2
201.82364	0.1
246.71567	0.1
277.21689	0.2
278.22104	0.4
279.22342	0.2
372.02582	0.1
383.32159	0.1
488.38794	0.1
634.24854	0.2
731.37201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70110	0.1
59.01356	0.1
61.98830	100.0
62.98528	0.2
63.08406	0.1
80.96514	0.2
85.67321	0.1
94.98096	0.1
95.06907	0.1
98.19852	0.2
104.70822	0.1
110.61567	0.1
123.29755	0.1
123.85181	0.1
171.10257	0.5
172.10535	0.2
173.10760	0.2
173.79181	0.1
228.97902	0.1
277.21808	0.2
278.22025	0.2
280.22659	0.1
311.75983	0.1
313.68933	0.1
406.84601	0.1
731.36896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
61.98829	100.0
69.76914	0.2
78.24513	0.2
94.38774	0.2
96.96048	0.3
98.01916	0.2
98.20287	1.3
99.04529	1.5
103.30388	0.2
105.82108	0.2
117.90171	0.2
122.12260	0.2
143.28394	0.2
147.04555	0.8
151.03944	0.2
211.13237	0.3
222.02631	0.2
242.58675	0.2
344.73129	0.3
500.59677	0.2
546.59406	0.2
667.31451	0.4
687.32257	0.4
730.33533	0.5
731.31488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
60.01697	0.3
61.98829	100.0
62.22207	0.1
62.24242	0.1
62.98539	0.1
62.99268	0.1
64.61060	0.1
101.48321	0.1
127.90620	0.1
159.06000	0.1
180.73854	0.1
209.11618	0.1
267.67172	0.1
695.18829	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	730.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68921	0.2
59.01379	1.3
61.41628	0.2
61.98829	100.0
68.44595	0.2
77.42188	0.2
79.23750	0.2
85.02954	1.3
92.99710	0.2
98.20643	0.8
99.04520	16.7
100.04874	0.4
121.02997	0.8
127.87978	0.3
133.06621	0.8
137.09706	0.4
143.03366	0.2
144.06667	4.1
144.07736	0.3
147.04520	2.0
147.08281	0.3
148.04848	0.4
157.87639	0.2
161.09673	0.3
173.09720	0.4
183.08264	0.3
187.11299	0.3
213.09201	0.3
229.15189	0.3
280.32611	0.3
313.67865	0.2
361.18268	0.8
391.19034	0.5
409.20419	0.3
427.21109	1.7
428.21454	0.3
445.21927	0.3
446.22583	0.2
491.24518	0.8
509.25153	1.4
510.26035	0.7
591.29431	2.6
592.30377	0.3
623.32727	1.0
654.28284	0.4
667.31213	13.7
668.31537	4.0
686.30267	1.3
687.32037	0.6
731.29260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56283	0.2
59.01380	100.0
60.01723	0.7
61.98832	2.1
64.05969	0.2
79.73102	0.3
87.04533	0.6
96.95992	0.3
98.20282	1.5
99.04531	1.1
99.92606	0.5
103.00411	0.5
112.69527	0.3
116.92804	0.3
121.50761	0.3
126.90485	0.3
127.04040	0.3
133.35561	0.3
147.04523	8.0
147.05663	0.4
148.04945	0.3
190.20299	0.3
193.83621	0.3
202.44627	0.2
396.12448	0.2
432.03702	0.3
439.21747	0.3
587.26471	18.2
588.26764	3.4
628.88690	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27357	0.6
53.29689	0.5
57.32833	0.6
59.01379	58.4
60.01722	1.0
61.98829	100.0
62.98513	0.9
65.78820	0.6
68.99553	0.8
69.90145	0.6
71.01395	0.7
73.02974	1.0
73.71722	0.6
84.02176	0.9
96.96046	1.6
98.19817	0.9
98.50307	0.6
99.00909	1.4
99.04518	40.4
100.04871	1.9
101.02421	0.8
107.39579	0.6
121.02985	2.4
137.09737	0.9
138.88882	0.5
147.04553	1.3
155.53560	0.6
159.08147	0.7
160.05272	0.6
161.06087	1.1
171.08105	1.2
185.09735	0.9
189.09221	1.7
197.09816	0.8
201.11288	1.3
213.09193	1.7
218.09447	1.7
229.84520	1.0
241.08730	1.7
245.11787	5.3
264.57550	0.6
273.11356	1.4
274.12152	2.7
455.20932	0.8
482.27429	0.6
495.56769	0.7
593.29010	0.9
619.29248	8.5
620.29688	2.3
633.30743	0.9
651.31683	53.2
652.32062	13.9
669.33112	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	729.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98834	6.7
69.03437	1.5
69.56258	1.0
71.00969	2.0
71.01360	1.1
95.95313	0.9
99.04521	50.4
100.04823	1.4
107.05033	2.0
109.06613	1.1
111.04504	1.8
121.02917	0.9
127.67204	1.0
133.06596	1.3
135.04451	2.0
135.93794	1.1
137.06038	1.1
147.08134	1.6
159.08150	1.2
161.09691	1.1
161.30621	1.0
171.08348	1.0
185.09727	2.6
187.11305	1.5
198.06880	1.8
199.07658	2.2
212.08377	1.1
213.09154	4.0
224.18565	1.0
237.75554	1.0
245.11577	1.0
285.14636	1.1
290.37427	1.1
353.17523	1.2
361.18106	1.5
365.17328	1.0
373.20142	1.8
409.20193	2.3
427.16867	1.0
427.21298	11.6
455.24347	2.2
469.22006	1.2
481.26416	1.7
491.24643	1.1
493.22400	10.3
509.25461	30.1
510.25815	2.2
511.23035	2.2
527.26660	1.7
537.21228	6.7
539.26392	2.4
541.27783	1.8
551.26575	7.4
552.27039	1.0
553.24615	2.9
555.21960	1.5
561.74780	1.1
569.24268	1.4
570.23853	1.1
593.27496	20.7
594.27942	3.0
595.25549	4.9
637.26501	80.7
638.26959	10.9
669.28998	14.0
670.29181	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57690	0.6
57.46461	0.7
59.01379	100.0
60.01722	1.4
61.98829	33.8
63.01785	0.6
71.01390	1.0
83.01402	1.0
83.05022	1.4
84.90031	0.6
85.02968	2.3
93.07086	0.9
95.05035	0.6
99.00896	1.2
99.04518	51.2
100.04865	1.0
107.05054	1.3
111.04522	1.1
112.46386	0.7
121.02944	3.0
123.08124	1.1
130.67482	0.7
133.06604	2.2
135.04558	1.3
136.05261	1.4
137.06094	1.9
144.05792	0.7
147.04510	2.9
147.08168	0.9
157.06631	0.7
159.08157	1.8
161.09695	1.4
171.08188	1.4
185.09772	2.1
187.11348	1.8
198.06805	1.6
199.07671	2.1
213.09142	3.9
214.09799	0.7
215.10791	1.4
221.88208	0.7
267.13882	1.4
295.13318	1.9
335.16550	0.8
353.17368	1.1
367.18829	0.8
373.20084	2.1
377.17584	0.7
379.19339	0.8
391.36060	0.7
409.20038	2.3
420.19406	0.7
427.21225	13.9
428.21698	2.3
433.20135	1.2
445.23129	0.8
451.21198	1.4
455.24411	1.6
457.22302	1.7
469.22513	2.4
481.25998	1.2
491.24390	1.5
493.22281	13.2
494.22638	1.5
509.25452	34.8
510.25720	4.9
511.23169	2.0
527.26361	1.4
533.25299	1.1
537.21234	10.6
538.21344	1.5
539.26471	2.6
541.27972	1.6
551.26581	9.4
552.26697	2.0
553.24323	2.7
555.22076	3.1
565.28113	1.4
569.24097	2.2
575.26868	1.0
587.24988	1.0
593.27545	31.9
594.28015	3.9
595.25702	6.1
596.25861	1.9
625.30170	1.4
637.26483	99.1
638.26837	19.0
667.30469	0.7
669.29199	16.9
670.29749	3.4
685.29724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83848	0.1
59.01379	7.5
60.01708	0.4
61.98830	100.0
64.84911	0.2
64.93496	0.2
70.26985	0.6
76.15412	0.2
77.61212	0.2
98.20636	0.3
99.00910	0.4
99.04523	4.5
100.04868	0.4
101.06127	0.2
108.48528	0.2
109.24241	0.2
110.40400	0.2
121.02960	1.1
137.09682	0.2
198.06766	0.2
199.07651	0.5
200.07991	0.2
213.09198	0.4
214.09650	0.2
235.88533	0.2
291.07019	0.2
380.19525	0.2
425.99036	0.2
427.21552	0.4
428.21823	0.7
503.19266	0.2
504.19522	0.3
504.35110	0.2
505.19894	0.9
506.20209	0.4
509.25436	2.3
510.25726	3.2
511.26337	0.2
541.28406	0.4
542.28583	0.5
591.29346	1.4
592.29871	2.7
593.29645	0.2
617.99481	0.2
623.32330	0.5
624.33118	1.0
651.31470	0.5
665.26691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18923	0.3
60.20811	0.2
61.98832	100.0
63.42508	0.2
71.51909	0.3
79.64032	0.3
80.91736	0.2
120.56750	0.2
152.99625	0.3
200.53618	0.3
209.11942	0.3
255.23343	0.3
261.00256	0.3
281.24802	0.3
302.69363	0.3
481.30142	0.3
596.19299	0.3
633.43976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	37.4
61.98830	100.0
68.73524	1.5
68.99577	2.9
71.01392	3.4
71.53323	2.7
73.02991	2.0
75.75002	1.4
82.09364	1.5
82.95407	4.1
85.02965	7.7
87.00916	2.2
88.98792	5.0
96.96004	10.7
97.18280	1.5
99.00836	1.6
99.04526	28.2
99.58346	1.5
101.02445	2.4
104.82570	1.8
109.10493	1.7
112.98539	4.2
121.02943	8.4
135.04497	2.1
135.08107	1.7
147.04488	7.0
150.88263	1.6
151.70367	1.5
209.11841	3.8
225.11246	2.1
425.15881	2.0
579.26300	2.2
587.28241	2.5
597.26520	3.1
615.27692	3.1
635.32288	1.9
651.28101	2.7
661.27356	2.0
666.26343	5.3
670.36163	5.1
679.30719	10.6
685.41803	12.9
686.42255	2.4
697.32178	9.6
698.31525	1.8
729.34772	2.4
730.32446	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	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.7
61.98842	2.0
62.69698	0.2
62.78300	0.2
69.37603	0.5
69.38014	1.4
71.01393	1.1
73.02947	0.4
78.95920	0.4
83.01406	0.3
85.02958	0.4
89.02448	1.2
98.20053	0.6
101.02425	1.1
102.27708	0.2
109.62351	0.2
113.02469	0.8
117.19583	0.2
125.09722	0.8
127.11317	1.6
152.99579	0.8
153.09230	0.4
157.58891	0.2
161.04576	0.7
171.10271	100.0
172.10619	4.6
179.05550	0.3
235.08226	2.0
253.09274	5.0
254.09543	0.2
255.23259	1.0
277.21713	53.2
278.22064	5.0
407.19254	3.5
408.19397	0.3
457.82608	0.3
509.26349	0.3
513.30377	0.8
709.39288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66457	0.4
55.30752	0.3
59.01380	18.9
61.98825	1.4
71.01375	2.2
71.37579	0.4
73.02949	0.5
79.49560	0.3
83.01401	0.5
84.96297	0.4
85.02956	0.6
87.00875	0.6
89.02434	2.0
94.64642	0.4
96.10647	0.3
98.20510	1.9
101.02451	1.6
113.02452	1.0
119.03484	0.7
125.09729	0.8
127.11298	1.2
145.05138	0.4
152.99570	0.8
153.09242	0.5
161.04607	0.8
171.10268	89.6
172.10611	3.8
177.41722	0.4
183.43173	0.4
209.11815	0.7
235.08197	3.0
253.09276	6.8
255.23318	1.0
257.73669	0.4
259.20599	0.4
277.21716	100.0
278.22061	8.2
278.24927	0.5
281.24884	1.4
291.74173	0.4
407.19125	1.4
513.30774	1.4
709.38806	0.7
727.39362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
59.01379	32.6
61.98537	1.1
61.98830	13.1
71.01380	3.7
74.06615	0.8
80.25394	0.9
80.63179	0.8
84.95110	1.0
85.02984	1.2
89.02424	2.3
97.06550	1.4
98.20274	6.4
101.02431	3.2
113.02473	1.8
113.60581	0.8
127.11275	1.3
128.77197	0.9
132.02814	0.9
145.05130	1.1
151.11264	3.1
160.28064	0.8
161.04607	1.1
169.12344	25.8
170.12668	1.5
171.10272	46.3
172.10626	0.9
213.11343	1.7
231.12329	1.6
235.08246	1.9
253.09306	3.1
277.21719	61.1
278.22144	5.7
483.15942	1.1
556.19165	4.5
557.18927	2.9
590.75214	0.9
642.23376	2.4
643.23547	1.7
675.22571	1.8
683.25171	1.9
709.41284	4.3
727.42719	100.0
728.43127	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	727.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
59.01378	32.8
61.98823	4.2
71.01375	4.1
73.02943	0.8
75.91263	0.5
83.01365	0.5
85.02985	1.0
89.02431	2.5
97.06583	0.5
98.95372	0.5
101.02451	3.1
113.02452	2.0
119.03501	0.8
119.81352	0.5
125.09735	0.9
127.11281	1.6
149.09697	0.5
150.98410	0.5
151.11273	2.9
153.09201	0.6
161.04544	1.1
169.12334	31.5
170.12756	1.1
171.10258	81.6
172.10597	3.4
209.11848	0.5
213.11325	4.2
231.12247	2.5
235.08218	1.0
253.09317	4.8
257.42010	0.5
277.21701	26.9
278.22070	3.3
296.40472	0.5
366.07541	0.5
407.19122	1.6
449.20215	2.2
467.21246	2.2
709.41595	3.8
727.42682	100.0
728.43054	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32574	0.8
59.01380	72.7
60.01716	0.9
61.98539	1.4
61.98835	21.2
71.01379	1.8
73.64667	0.8
83.05016	1.9
85.02946	1.3
87.00883	1.2
97.06583	2.0
98.19868	2.0
99.04521	100.0
100.04863	2.2
107.05001	1.2
107.66136	0.9
111.04404	0.9
121.02944	2.9
121.06591	1.7
123.04520	1.4
125.06068	1.5
126.90420	1.0
129.07036	1.0
133.06598	2.5
137.05971	1.5
147.04457	1.8
147.08119	1.5
159.08105	1.7
161.09695	1.5
171.08266	1.2
185.09610	1.1
187.11218	2.2
199.07632	2.7
213.09224	3.5
215.10747	2.0
263.34787	1.1
267.83923	0.9
269.15588	1.2
278.99509	0.8
305.56378	0.9
335.16269	1.3
365.17505	2.1
373.20215	1.8
391.19284	1.6
399.21515	1.5
409.20071	2.6
427.21317	6.6
428.21628	1.7
455.24249	3.1
481.25931	1.7
491.24393	10.2
492.24725	1.7
507.23651	3.7
509.25491	25.5
510.25983	4.3
535.23340	7.0
553.24390	19.2
554.24664	3.0
563.30066	1.9
567.26001	1.4
585.27002	3.2
591.29730	13.9
592.29938	2.0
604.93140	0.9
635.28583	89.1
636.28864	20.9
667.31140	16.5
668.31635	4.1
727.32019	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01706	1.2
63.78601	0.2
65.11618	0.2
70.01977	0.7
99.04526	2.5
121.02998	0.3
256.25714	0.2
262.06870	0.2
593.83710	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.1
59.01381	10.5
60.99282	0.6
61.98831	24.0
69.03437	0.3
71.01357	1.2
71.05004	0.8
71.53277	0.6
73.02952	0.4
79.05515	0.6
81.03407	0.5
83.05012	0.7
85.02940	0.6
87.00875	0.5
88.98833	2.0
93.03473	0.9
93.24749	0.3
95.01385	0.8
95.05016	0.6
96.95959	0.5
97.06574	0.7
99.00874	1.0
99.04520	20.0
100.04831	0.5
101.02436	3.2
104.06780	0.4
107.05028	0.5
108.02190	0.5
111.04533	0.6
115.04029	2.1
116.92929	0.4
121.02958	100.0
122.03304	3.6
123.04441	0.5
127.03999	1.3
133.02910	0.4
133.06601	0.7
135.04509	1.1
137.06047	0.5
145.02914	0.6
147.04543	3.3
147.08197	0.6
149.06093	0.7
161.09753	0.8
175.04073	0.5
187.11313	0.6
189.09325	0.4
193.08702	0.4
194.05879	1.6
199.09776	1.0
201.11324	0.8
208.07358	0.4
211.13489	1.3
213.09245	0.6
215.10843	0.4
225.11391	0.5
253.09438	0.5
295.15845	0.6
429.27008	0.5
439.21964	0.4
455.25098	0.9
473.25388	3.0
474.26025	0.4
509.25348	1.9
515.26208	2.3
516.27222	0.5
527.27155	1.4
529.22815	0.7
533.25580	0.6
534.58521	0.4
551.26306	0.4
557.28241	0.5
559.30005	1.1
569.27808	2.1
570.29089	0.5
571.25543	0.6
585.27612	1.4
597.31976	0.6
601.31262	1.4
613.27496	1.5
627.29260	0.6
645.29193	7.9
646.30536	1.1
651.25494	3.3
652.26813	0.8
664.28577	0.8
683.28583	5.4
684.30365	1.5
685.39661	3.1
691.27448	0.5
695.30591	0.8
696.32178	0.5
709.33160	1.1
727.34003	17.0
728.34564	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	727.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25850	0.5
54.34703	0.5
55.63123	0.5
59.01380	18.5
61.68411	0.5
61.98830	32.6
70.89372	0.7
70.89699	0.8
71.01383	1.1
79.51400	0.5
81.03479	0.5
83.05022	0.9
88.98806	1.1
93.03422	0.7
99.04519	100.0
99.30994	0.5
100.04857	2.6
101.06096	0.6
107.04996	0.9
109.06527	0.9
115.00394	0.7
121.02937	1.7
123.04537	0.5
126.97969	0.4
131.08710	0.7
133.06593	1.9
135.04489	1.0
135.08159	0.6
147.04510	6.7
147.08159	0.8
148.04826	1.0
159.08110	1.7
161.09695	1.0
163.11261	0.6
173.09698	1.0
175.07747	0.5
183.08257	0.5
184.05312	1.7
185.06166	0.6
186.78479	0.5
187.11241	1.9
199.07619	1.6
213.09157	1.9
215.10703	0.8
231.10139	0.6
243.14105	0.5
251.10786	0.5
295.15607	0.8
322.82455	0.5
335.19946	0.6
339.19415	0.6
401.23291	1.3
427.21451	2.9
428.21384	0.7
433.20987	0.6
445.22009	1.3
481.25620	0.7
483.27451	1.6
487.23386	0.6
509.25339	5.7
527.26447	21.1
528.26746	3.7
551.26581	6.1
552.27344	0.6
565.28729	0.7
569.27539	14.2
570.27844	2.7
583.29083	1.6
605.31372	0.9
609.30780	2.4
627.27643	1.4
633.30798	6.3
634.31110	1.3
651.31720	12.5
652.32220	3.3
664.28632	0.7
665.33075	1.4
667.31165	1.0
677.29449	1.5
683.39630	0.9
691.27496	6.8
692.27826	1.7
695.30676	6.2
696.30652	1.0
709.32404	2.2
727.33295	25.5
728.33514	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	727.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99754	1.3
59.01382	38.0
61.98831	49.7
62.84770	1.4
68.99551	1.7
69.03451	1.5
71.01383	3.0
71.53383	1.9
72.99280	1.7
73.02943	1.6
75.00856	1.6
78.63218	1.4
80.91668	5.3
82.95422	16.5
83.04985	1.9
85.02928	3.5
87.00854	6.3
88.98782	4.8
96.95992	3.4
99.04507	7.1
101.02431	2.4
103.32085	1.4
109.06556	1.4
109.46811	1.5
113.02408	1.5
115.00337	4.6
119.05000	1.4
121.02961	72.3
122.03245	3.3
125.68062	1.3
132.29736	1.4
135.08076	1.4
145.02950	1.9
147.04488	3.8
155.06915	1.6
161.09619	1.9
183.08087	4.3
201.11339	1.9
209.09833	3.3
209.11780	2.8
211.11345	3.2
211.13324	2.8
215.10782	1.7
229.47899	1.5
233.52338	1.3
237.12813	5.4
245.11818	1.5
293.21179	1.9
451.24661	6.5
477.22913	6.8
481.73651	1.6
495.23923	11.2
519.23700	3.9
520.23523	1.7
532.29047	1.4
537.25012	1.7
610.44244	1.5
643.27484	29.0
644.27820	2.4
664.29285	1.6
683.40955	1.8
685.28601	76.1
686.29071	15.6
727.29700	100.0
728.30499	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	727.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86597	0.8
59.01378	100.0
60.01702	1.6
61.98830	18.6
69.15968	6.3
71.01374	2.0
72.68575	0.7
85.02954	1.3
98.20101	3.7
99.04517	59.7
100.04822	2.0
109.06613	0.9
116.92854	1.9
121.02930	4.0
125.06046	1.4
133.06573	3.0
135.02292	0.8
141.01674	4.8
144.06627	2.5
145.06641	0.8
147.08168	1.5
161.09703	3.0
168.07565	1.1
168.68184	0.9
170.07349	1.0
171.08118	1.5
173.09769	0.9
185.09676	1.5
187.11372	1.9
195.08092	0.8
198.06808	2.1
199.07684	7.3
199.09370	1.5
211.13341	1.8
213.09225	5.1
215.10722	1.2
281.11713	1.3
283.77963	0.8
285.15189	2.0
295.13379	2.2
329.15515	0.9
335.16516	1.4
349.62857	0.8
361.17960	2.4
365.17584	2.5
391.19189	1.0
399.21915	1.0
409.19998	3.8
422.44022	0.9
427.21237	16.0
428.21613	2.2
459.24011	1.2
465.22729	1.4
481.25851	3.4
491.24820	4.2
509.25412	79.1
509.91525	0.9
510.25690	13.5
523.26703	1.4
535.26990	1.1
541.28137	18.3
542.28400	3.0
553.24091	1.4
585.27008	3.6
591.29584	59.6
592.29919	14.5
623.32227	20.7
624.32758	5.5
635.28705	3.3
667.31128	5.8
668.31158	2.1
719.69110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74270	1.8
59.01379	27.8
61.98832	100.0
68.99575	5.1
71.01368	4.3
71.52833	2.2
73.52505	2.1
74.66135	2.0
76.01898	1.8
81.38169	1.8
83.05049	2.2
84.59539	2.1
85.02941	5.8
87.00867	4.2
88.98795	11.5
96.96009	3.4
99.00891	2.5
99.04527	13.9
101.02409	2.4
101.06129	2.9
112.98535	6.2
116.92831	2.6
121.02963	20.6
147.04491	16.2
154.55516	1.8
171.10246	2.8
181.83362	2.2
187.09032	1.9
190.32578	2.2
199.09695	5.0
201.11105	2.2
207.10214	3.8
211.13310	4.6
225.11258	6.4
262.76505	2.0
309.20627	3.1
373.01416	2.1
664.30664	14.3
691.27936	13.8
692.28510	2.7
727.33936	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	727.281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
59.01376	1.1
63.45580	0.3
65.64169	0.3
69.72032	1.2
71.01393	0.7
83.01402	0.5
85.02958	2.2
87.00893	0.3
89.00670	0.4
89.02451	0.6
93.03446	0.6
96.96028	0.3
98.19913	0.4
98.20492	0.5
101.02464	1.6
107.09644	0.2
111.00880	0.3
115.00394	0.5
119.05028	86.2
120.05354	4.0
122.16346	0.3
123.04507	0.7
125.02422	0.2
129.01930	0.9
132.90434	0.2
133.02937	0.5
135.04547	0.4
145.01434	0.6
147.02974	1.7
150.03191	0.3
153.05563	0.8
153.09273	0.3
163.04004	100.0
164.03081	0.5
164.04349	5.1
175.02496	0.6
191.02029	1.3
191.03484	0.2
191.05411	0.3
193.05083	0.3
209.03026	0.3
223.04607	0.5
249.07216	0.3
271.98505	0.3
297.89041	0.2
323.13556	0.5
325.09274	21.6
326.09631	1.6
443.98154	0.3
450.30231	0.3
608.69946	0.3
727.25098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
59.01380	0.3
62.84988	0.1
64.46375	0.1
70.71925	0.3
71.01382	0.2
83.01416	0.1
85.02952	0.4
93.03455	0.5
101.02439	0.6
117.03526	0.3
119.05026	90.8
120.05366	3.5
129.01941	0.2
133.02954	0.3
133.06529	0.1
145.01402	0.2
147.02998	0.3
149.92737	0.1
153.09187	0.4
163.04007	100.0
164.04347	4.8
165.05621	0.1
171.98898	0.1
191.01912	0.3
192.37567	0.1
205.05035	0.3
205.25848	0.1
217.62160	0.1
221.11790	0.2
239.12888	0.4
323.13522	0.2
325.09259	21.8
326.09589	1.6
415.35175	0.1
678.80194	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.6
59.01378	67.5
61.98829	100.0
64.29993	1.6
69.24518	9.3
69.24944	4.8
71.01350	7.0
71.01694	1.5
72.99287	6.9
73.02932	1.8
75.00860	2.7
79.05508	2.6
81.03448	1.8
83.05009	4.5
85.02936	5.1
87.00872	2.6
88.98802	2.0
89.02403	2.5
95.04996	3.0
96.96011	36.8
98.02419	1.4
98.19891	3.6
98.20565	4.0
99.00837	3.4
99.03914	2.4
99.04511	29.8
101.02449	1.7
103.00349	2.9
105.82671	1.5
107.05016	3.0
109.06564	2.1
111.04459	2.9
112.14667	1.6
112.98559	3.0
113.02437	2.2
114.05598	2.3
119.04975	1.9
121.02952	45.2
123.04399	1.5
127.03953	3.6
133.01335	1.6
135.04477	3.7
135.08109	3.1
147.03394	2.6
147.04514	50.8
149.06038	3.8
151.13843	1.5
159.08102	5.1
164.04721	2.6
167.06979	2.5
169.05016	5.0
173.06108	1.6
191.10709	1.8
209.11769	2.1
225.11066	1.6
387.18051	2.2
519.23291	4.7
553.24054	2.3
561.24438	2.4
595.25336	3.7
596.24646	1.9
607.25488	2.4
617.24347	3.2
627.30640	1.7
628.27271	2.0
635.24823	4.4
636.25635	2.2
649.26434	28.7
650.26672	3.6
667.27344	11.1
668.27710	2.1
683.28363	2.2
683.38458	2.0
696.29938	6.0
709.31018	1.8
727.29724	73.5
728.30573	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	727.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64186	0.5
56.88652	0.6
57.03429	0.6
58.00583	0.6
58.23299	0.5
59.01378	22.5
61.98813	1.5
64.79037	0.5
69.21771	3.4
69.22180	1.5
71.01012	1.0
71.01380	15.1
72.99318	0.9
73.02939	2.2
78.68829	0.6
81.03450	1.4
83.01373	1.0
85.02949	6.3
87.00850	1.1
89.02445	5.8
93.03473	0.7
95.01375	3.1
99.00848	0.7
101.02433	7.5
104.29376	0.5
108.02174	44.3
109.02962	29.0
109.03707	1.4
110.03276	1.0
113.02460	4.6
119.03489	1.1
120.99672	0.7
121.02962	1.3
123.00858	1.3
123.04505	1.7
125.02405	0.6
133.02917	0.9
151.03984	2.1
152.01151	58.0
153.01950	23.0
154.02274	1.2
155.49028	0.5
161.04538	1.5
161.13354	1.7
163.03961	1.5
165.01903	1.4
169.32961	0.5
187.11310	2.7
205.12302	1.6
209.02879	0.6
249.11436	0.8
315.07196	18.0
316.07614	1.2
321.04553	0.5
398.33450	0.6
447.12830	0.6
503.19064	5.3
504.19696	0.8
547.18207	13.8
548.18353	2.0
565.18713	0.9
683.22821	0.8
683.34180	2.7
727.24500	100.0
728.24799	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01117	1.7
59.01379	25.1
60.27539	1.5
61.98817	3.9
63.81244	1.3
69.40098	4.8
69.40527	5.2
70.22099	1.3
71.01378	14.8
73.02950	2.1
79.95722	3.8
85.02939	6.3
86.10826	1.3
89.02440	4.2
95.01365	2.0
96.96008	43.6
98.95592	2.0
101.02444	6.7
108.01475	2.6
108.02174	38.4
109.02962	27.0
113.02438	4.5
119.03524	1.3
119.05019	2.9
123.04529	1.7
126.51285	1.3
137.02399	1.4
151.04047	1.8
152.01151	56.0
153.01938	20.0
154.02274	1.5
159.13589	1.5
161.13306	1.8
162.59740	1.3
165.01956	1.9
248.28658	1.7
261.24957	1.3
289.11151	60.9
290.11304	5.8
291.10992	4.8
292.11789	2.1
315.07208	15.4
316.07614	2.1
417.15567	1.5
462.41913	1.4
503.19302	4.3
547.18500	6.3
667.38983	3.2
683.33429	1.6
685.40009	2.1
727.24506	100.0
728.25000	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	727.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87798	0.8
55.01871	2.8
57.03456	7.1
58.88445	0.8
59.01380	34.8
59.58429	0.9
67.01884	2.7
68.99795	1.9
69.03455	10.0
69.21896	6.8
69.22296	2.6
71.01383	21.8
72.99300	3.2
73.02946	14.4
75.13982	1.0
81.03460	5.6
83.01385	5.4
83.05019	3.5
85.02953	66.0
85.28527	0.8
86.67112	0.9
87.00880	100.0
93.03453	6.3
94.05271	0.9
95.01391	22.8
97.02951	29.7
98.03307	1.2
98.20615	1.8
99.00838	2.1
99.04523	4.2
101.02459	3.9
103.04009	8.2
104.13688	1.0
108.02217	1.8
109.02962	9.9
111.00864	8.2
111.04503	1.6
113.02454	19.7
115.00371	11.9
115.04010	1.3
119.05027	1.8
121.02912	2.1
123.04523	1.4
125.02450	3.4
127.04016	15.4
129.01923	4.0
134.03613	1.1
135.04539	1.9
137.02431	3.9
139.00383	15.9
139.04071	1.1
141.05608	2.0
145.05087	7.1
147.03036	2.4
149.02350	1.3
153.01871	1.4
155.03476	3.1
157.01408	9.8
163.03967	2.4
167.03537	1.2
169.05034	3.3
171.02945	2.6
173.04532	2.0
175.02480	52.5
179.03558	1.1
181.01384	2.0
191.01950	4.4
191.05559	1.6
193.05017	1.4
199.02475	37.9
209.03046	3.0
217.03540	22.9
241.03363	1.5
241.07249	1.3
257.06686	1.4
285.06067	2.2
303.07202	19.9
304.07455	1.5
321.08209	6.4
323.13498	1.5
345.08243	9.7
387.09299	17.7
405.10287	9.3
563.12543	2.5
623.14856	7.9
685.18567	2.7
709.18280	20.2
710.18481	3.2
727.19324	25.5
728.19891	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	726.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.2
61.98833	100.0
63.99255	0.4
64.61806	0.2
71.01402	1.0
71.53908	0.4
72.99320	0.3
73.02974	0.4
80.91706	0.4
82.03001	0.3
83.35674	0.2
85.02944	1.3
88.98822	0.7
89.02425	0.4
96.96037	0.7
97.02988	0.3
99.04535	2.3
101.02437	0.4
113.02461	0.4
114.05652	0.5
121.02962	1.1
147.04547	0.9
147.57974	0.3
209.11810	0.3
328.21973	0.3
542.28864	0.3
565.21039	0.4
603.28412	0.4
641.37646	0.3
643.49805	0.3
645.30310	0.3
663.30579	0.6
666.33948	0.3
710.83044	0.2
726.34979	2.8
727.36230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77965	0.7
54.57740	0.7
55.01868	1.5
57.03449	14.5
59.01377	6.3
68.99797	1.0
71.01377	5.0
71.52074	0.7
72.99310	1.0
73.02930	0.9
73.85155	0.7
75.00869	2.7
83.01419	3.5
84.02157	3.1
85.02952	100.0
86.03297	1.7
87.00889	1.9
93.31933	0.7
100.40456	0.6
101.02454	1.4
103.00384	1.6
111.00883	7.2
113.03553	0.7
115.00374	1.4
125.86498	0.6
129.01942	11.5
134.03743	2.3
137.02409	0.9
147.02991	13.4
173.00923	2.8
191.01976	61.3
192.02272	1.9
193.05061	2.1
201.26256	0.6
205.03560	4.3
209.01016	1.5
209.03029	27.9
210.03442	1.0
210.29263	0.8
223.04578	21.4
224.04919	1.0
245.73183	0.7
284.54797	0.7
290.62915	0.8
322.81839	0.8
355.06799	2.7
367.06705	1.0
371.06024	1.3
385.07767	27.4
386.08246	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	726.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80957	0.2
59.01379	4.0
61.98831	100.0
63.99256	0.3
65.89665	0.2
68.99577	0.3
71.01370	1.1
75.00906	0.5
78.95934	0.2
83.05042	0.2
85.02949	0.2
85.80834	0.2
88.98800	0.9
94.93253	0.2
96.96036	0.4
99.04526	5.3
101.02465	0.2
112.98610	0.5
121.02955	3.8
122.03271	0.2
135.04506	0.2
145.06712	0.2
147.04529	3.2
148.04871	0.5
199.07739	0.2
209.11835	0.2
227.67325	0.2
309.20477	0.3
429.50031	0.2
537.24982	0.2
565.27472	0.2
579.29913	0.4
609.27295	0.3
621.27460	0.6
637.30255	1.0
663.28040	2.8
664.28851	0.5
667.30560	0.9
677.30109	0.7
691.27771	1.3
708.28387	0.2
709.32123	4.0
726.33234	0.2
727.33386	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	726.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.5
60.99312	0.2
61.98829	100.0
68.93938	0.2
71.01380	0.7
72.99317	0.4
73.02975	0.3
75.00869	0.3
85.02964	0.5
87.00880	0.5
88.98831	0.6
89.02473	0.4
96.96026	0.6
97.06656	0.2
98.20278	1.8
99.04514	3.4
101.02455	0.4
107.05041	0.2
113.02396	0.2
114.05617	0.6
115.00359	0.4
121.02997	0.8
175.04024	0.3
186.52452	0.2
200.40514	0.2
295.15344	0.3
296.91785	0.2
298.24698	0.2
320.55975	0.3
347.22507	0.4
455.24734	0.4
473.25369	2.2
474.25967	0.3
504.04849	0.2
515.26129	0.4
610.30096	0.2
621.29163	1.3
622.30359	0.9
640.31018	0.5
663.30212	14.9
664.30634	3.0
676.25049	0.4
726.31110	3.5
727.32806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
57.03451	4.0
59.01379	8.7
61.98828	17.1
69.03431	0.7
70.27029	0.6
71.01388	6.1
71.52483	0.9
71.52907	0.8
73.02940	1.5
75.00867	1.9
78.95903	1.8
83.05020	0.8
84.63615	0.7
85.02953	1.5
87.00876	1.2
89.02445	3.7
97.06580	1.5
101.02456	5.7
113.02420	2.8
123.08154	1.5
125.09743	3.3
127.07656	0.7
137.09784	0.6
139.10368	0.6
139.11246	3.8
152.99532	2.3
155.10860	0.7
161.04523	2.0
167.10747	6.8
171.10242	2.3
185.11826	52.1
186.12134	2.8
189.23672	0.7
201.11232	1.3
209.11852	8.0
210.12111	1.6
225.11176	0.9
227.12900	3.5
228.13228	1.5
235.08177	2.2
253.09276	5.2
258.04013	0.7
277.21707	80.7
278.22046	10.5
279.23203	6.4
286.57071	0.7
293.08649	0.8
387.19724	0.8
403.18250	0.7
405.21158	1.8
447.18460	0.9
465.19858	1.0
707.38397	2.2
725.41132	100.0
726.41492	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.5
59.01369	6.6
61.98540	1.3
61.98830	19.0
70.07448	3.2
71.01377	4.6
73.02928	1.6
75.00859	2.3
78.95876	1.4
84.78787	0.8
85.02966	1.7
87.00836	1.4
89.02432	3.3
95.01421	1.0
97.06580	0.9
101.02428	3.5
113.02449	1.8
119.03478	1.1
121.02912	0.9
125.09701	2.6
139.11258	2.3
141.12798	1.6
148.32866	0.7
152.99577	1.5
155.10849	0.7
167.10728	3.7
171.10283	2.4
174.55865	0.8
182.57805	0.8
185.11815	100.0
186.12225	4.8
201.11301	2.5
209.11772	3.5
211.09616	0.8
227.12976	1.1
229.10789	2.6
253.09250	4.4
277.21698	36.7
278.22043	3.9
279.22906	1.7
297.17273	0.8
392.53864	0.9
447.19205	1.0
451.25247	0.8
452.42908	1.0
465.19339	1.3
707.38336	1.9
725.41107	93.5
726.41559	21.2
731.48395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
57.03432	1.2
58.00586	0.9
59.01377	33.3
60.01717	0.4
63.19572	0.3
66.39647	0.3
71.01378	20.5
72.01734	0.3
72.99299	1.2
73.02943	1.4
75.02121	0.2
83.01384	1.4
85.02947	5.2
87.00873	1.5
89.02441	19.8
90.02775	0.4
95.01376	1.4
96.96006	0.6
99.00849	0.5
99.04515	0.5
101.02436	15.4
102.02725	0.4
113.02448	7.9
119.03498	8.6
120.03886	0.4
125.02424	0.3
131.03557	0.6
141.09203	2.8
143.03493	0.6
149.04536	0.4
159.10228	1.0
161.04541	0.5
170.22488	0.3
179.05666	0.5
191.01956	0.5
193.04837	0.3
195.13812	0.4
241.14485	0.8
281.31580	0.3
321.15509	100.0
322.15836	7.9
337.07462	0.4
348.55731	0.3
368.95743	0.3
403.14786	0.6
403.19742	11.6
404.20068	1.3
499.10361	0.3
533.53833	0.3
563.17657	0.3
580.88141	0.4
649.59106	0.3
680.34210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.6
61.98829	73.2
63.96222	2.1
69.03476	2.1
70.11131	1.0
71.01374	3.5
73.02930	1.4
77.52208	1.1
78.95493	1.8
78.95904	25.3
78.98568	3.0
79.95732	7.3
80.96515	40.0
94.98089	9.0
96.96954	5.4
106.98067	2.2
122.97568	2.4
125.02419	2.3
125.09701	2.4
128.87593	1.0
134.97525	3.0
148.99100	3.4
152.98544	3.0
152.99548	8.4
163.11256	1.1
164.98631	9.2
171.00758	1.2
171.08846	1.2
171.10252	19.5
172.86298	1.2
206.99623	2.1
209.11787	4.7
209.15366	2.1
223.00078	1.9
225.00713	14.3
227.12654	1.4
241.01097	6.1
246.49683	1.0
247.20641	10.6
249.09901	1.2
255.23297	24.9
256.23367	1.8
263.20117	1.3
265.21710	1.6
273.18494	5.4
281.24594	1.5
284.48404	1.0
291.19647	25.2
292.19910	2.3
309.20648	11.4
365.23337	2.1
383.24231	4.5
391.22571	2.3
433.65582	1.3
469.13812	2.2
517.63220	1.3
548.30731	1.1
553.27411	1.5
567.40631	1.2
657.43677	38.2
658.44019	6.9
725.38098	100.0
726.38434	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	725.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.7
59.01379	33.1
61.98829	22.1
71.04964	0.5
71.44217	1.2
72.12853	0.6
75.00860	2.9
83.05017	2.0
85.02943	0.6
95.55307	0.5
96.96007	1.5
97.02946	0.6
99.04517	100.0
100.04854	2.7
107.05029	2.5
111.04516	1.7
116.92900	0.7
121.02911	1.1
121.06660	0.9
121.72533	0.6
123.04470	0.8
133.06604	3.3
135.04524	3.8
135.08176	1.2
137.09718	8.5
149.06062	0.6
159.08188	1.0
167.07158	0.9
171.08200	0.8
175.07616	0.9
187.07654	0.9
187.11305	0.9
200.08479	1.2
201.09206	0.8
209.11726	0.8
213.09178	1.5
215.10817	3.0
244.04253	0.7
245.11771	1.6
376.38281	0.7
379.19189	1.1
381.17334	0.8
393.20706	0.7
407.18597	3.2
425.19870	1.0
439.21335	4.0
467.20914	3.3
485.21756	1.7
499.23392	2.7
507.24051	1.5
541.28052	3.2
549.24976	1.9
567.26031	6.6
568.26343	0.7
599.28821	1.0
607.29291	2.6
639.31451	1.4
643.27588	0.8
649.30359	3.7
681.32782	2.8
693.29681	1.4
725.31421	15.6
726.32245	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	725.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29259	0.3
59.01381	21.5
60.99295	0.4
61.98831	22.1
69.03459	0.7
69.44804	0.3
71.01389	1.6
74.61689	0.4
79.05533	0.4
81.03455	0.7
83.05042	2.2
85.02958	1.1
87.00893	0.4
88.98795	2.4
93.03464	0.9
93.85810	0.4
95.05029	0.6
97.02980	0.5
99.00877	1.4
99.04520	100.0
100.04866	2.4
103.05523	0.5
107.05013	2.0
109.02940	0.4
111.04513	1.1
113.06094	0.6
119.04987	0.4
121.02953	11.4
121.06609	1.2
122.03307	0.5
123.04500	1.1
125.02414	0.4
125.06057	0.5
127.03997	0.7
133.06602	2.9
135.04535	2.8
135.08203	0.5
137.06133	0.6
137.09718	11.0
138.10037	0.6
141.05600	0.5
147.04524	5.8
147.08194	0.4
149.06056	1.4
157.06586	0.5
158.14392	0.4
159.08191	0.9
161.06126	0.4
161.09795	0.6
163.07625	0.6
167.03477	0.6
167.07176	0.8
171.08130	1.2
173.09790	1.1
175.03847	0.5
175.07629	0.8
177.05589	0.4
183.08116	0.5
185.06158	0.4
187.07631	1.0
187.11311	0.7
188.08502	0.6
189.09320	0.7
191.13547	0.4
193.05060	1.1
193.08650	0.6
194.05823	1.0
197.11845	0.9
198.06789	0.5
199.07574	0.5
200.08475	0.6
201.09137	0.5
203.10756	0.7
211.06050	0.9
213.09167	1.7
215.10757	5.0
245.11789	2.4
249.77412	0.4
253.12372	0.6
271.13492	0.5
339.16135	0.4
341.13889	0.8
379.19125	1.1
381.16965	1.2
389.17166	0.4
407.18616	4.0
421.20181	0.7
425.19638	1.1
439.21295	6.3
440.21613	0.5
467.20743	3.4
468.20825	0.5
479.24557	1.0
485.21759	1.6
499.23340	2.9
507.24106	1.3
511.27228	0.6
525.24969	0.7
549.25055	2.5
559.19824	0.7
567.26007	6.3
568.26495	1.2
599.28754	1.5
607.28888	3.2
608.29980	0.6
639.32147	2.0
643.27643	0.9
648.51984	0.4
649.30145	4.5
650.30792	1.5
681.32849	4.2
682.33417	0.7
689.29089	0.5
707.24561	0.5
725.31769	19.2
726.32111	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	725.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01713	1.1
61.98831	12.2
71.01361	0.3
75.10157	0.3
93.03468	0.4
99.04520	2.1
121.02963	4.3
137.02449	0.5
143.03476	0.5
144.06693	0.5
147.04553	0.5
153.58014	0.3
169.12369	0.8
171.10298	0.3
178.70091	0.2
189.86305	0.3
197.11934	0.5
197.71021	0.3
199.13434	0.4
209.11812	0.4
293.21262	0.4
385.74091	0.3
541.27954	2.5
542.28430	0.5
583.29681	0.6
643.29504	0.9
680.24042	0.3
680.52600	0.3
725.41138	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	725.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23734	0.4
59.01071	0.8
59.01379	22.3
61.98830	57.7
63.99283	0.5
69.66896	2.6
71.01389	1.2
78.46928	0.4
83.05048	1.4
85.02943	0.6
93.03431	0.5
98.00096	0.8
99.04519	100.0
100.04854	1.7
101.02453	0.9
107.05021	1.3
111.04510	1.4
121.02958	13.1
121.06610	1.2
122.03242	0.6
128.35138	0.4
133.06598	2.7
135.04527	4.0
135.08096	0.4
137.09720	9.8
138.09938	0.4
139.11433	0.4
141.05511	0.6
147.04494	1.5
147.08110	0.7
151.00479	0.5
177.05527	2.8
181.08688	0.4
204.69075	0.5
214.15425	0.4
261.46576	0.4
289.10876	0.7
304.05124	0.5
375.55554	0.5
379.18661	0.7
407.18561	0.8
421.20004	0.6
425.19693	0.6
439.20847	1.1
467.20859	3.5
485.21597	1.1
549.24335	0.7
567.18201	0.7
567.26038	11.0
568.25861	1.5
625.33386	1.5
643.27124	2.0
645.29974	0.7
649.29883	4.7
650.30176	0.8
681.32764	2.2
689.29596	4.7
690.29724	1.5
693.28613	3.9
725.31567	13.0
726.32422	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	725.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67519	0.5
53.01309	0.5
59.01382	35.2
61.98832	20.6
69.03450	0.5
69.16505	5.2
69.78678	0.5
71.01380	4.9
71.90752	0.6
73.84248	0.5
75.00870	1.1
79.05536	0.8
81.03432	1.0
83.05022	1.0
85.02960	0.9
88.98829	1.0
93.03458	0.8
95.05044	1.0
96.96029	0.7
99.00887	13.3
99.04529	1.5
103.05536	0.8
109.02961	1.3
111.04498	2.5
114.25041	0.5
119.08662	1.3
121.02960	5.2
121.06620	2.6
123.04488	0.8
131.08670	0.6
133.06561	0.5
135.04520	2.0
136.00673	0.6
139.04059	0.8
145.06592	0.7
147.04521	30.6
147.08174	0.6
148.04874	2.8
149.06108	1.1
151.07680	1.2
161.06090	0.8
164.04770	0.7
175.07640	1.1
185.09729	0.6
199.11211	0.7
203.07327	0.5
209.09732	0.7
211.07753	0.7
215.10562	0.5
227.10808	2.4
235.66690	0.6
239.10745	0.9
249.05229	0.5
255.10252	1.1
260.23923	0.5
268.07233	0.6
283.09906	1.1
343.11777	1.1
361.12610	0.8
387.18030	0.9
389.12473	12.4
390.12903	0.9
392.57324	0.6
403.17102	0.6
405.14890	0.5
410.69708	0.6
413.20181	0.5
459.16589	12.7
460.17017	1.8
473.78955	0.6
475.19672	10.0
476.20200	1.4
485.18176	2.4
503.19247	100.0
504.19611	16.4
517.22479	3.9
543.24750	0.6
582.52460	0.7
605.23877	2.5
605.31281	2.2
623.32111	1.8
633.23694	0.9
681.28430	0.7
693.25525	0.8
707.28632	1.6
713.23108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33802	0.8
55.01859	1.4
57.03451	81.5
58.03783	1.1
59.01381	63.2
61.98821	1.7
65.55759	0.8
66.91802	0.8
69.38128	4.1
69.38541	1.7
71.01379	12.0
72.54253	0.9
73.02945	7.1
83.01382	3.6
85.02465	1.4
85.02955	26.7
86.03249	1.0
87.00870	0.9
87.04514	2.3
89.02425	1.2
98.20722	1.7
99.00888	2.4
99.04523	65.9
100.04867	2.0
101.01807	1.6
101.02444	27.5
101.03112	1.4
102.02743	0.9
103.04005	6.3
111.00862	2.5
113.02447	5.6
115.03982	1.2
125.01537	1.5
125.02451	23.7
126.02745	0.8
129.01923	3.7
135.04480	1.0
143.03476	3.3
145.05023	1.1
147.02986	3.3
159.02959	1.3
161.04582	4.0
191.01971	15.6
207.08745	30.0
208.08990	1.2
209.03050	9.6
223.04579	1.5
249.09773	12.3
275.78711	0.9
289.12906	5.6
307.13724	1.5
351.12961	100.0
352.13300	7.3
361.59708	1.0
385.07632	3.5
505.25397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18929	0.1
58.80786	0.1
59.01375	4.2
60.01715	0.3
61.01779	0.2
61.98828	100.0
71.01373	0.6
74.82010	0.1
75.00869	0.1
76.32262	0.1
78.95921	0.2
85.02949	0.3
86.67567	0.1
93.03465	0.2
97.02985	0.1
97.90199	0.1
98.19833	0.2
98.20532	0.7
99.00893	0.3
99.04483	0.8
101.02421	0.1
101.06081	0.1
104.89408	0.1
113.02449	0.2
119.05059	0.2
121.02953	9.3
122.03310	0.9
133.06592	0.4
141.01958	0.1
142.05095	0.5
147.04514	4.5
148.04860	1.2
161.04553	0.2
171.10158	0.2
177.05556	0.4
197.11678	0.1
376.60086	0.2
531.24005	0.2
613.27185	0.1
625.33990	0.7
645.31091	0.2
661.30627	0.6
662.30328	0.2
664.40314	0.2
680.29602	0.8
681.41418	0.2
689.29852	1.4
724.15869	0.3
724.28210	4.8
725.28656	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48058	0.3
60.82780	0.3
61.98830	100.0
71.38978	0.7
78.95923	0.7
111.34955	0.3
114.95556	0.3
116.61338	0.3
132.97281	0.3
136.69571	0.3
152.99640	0.5
232.00439	0.4
255.23247	0.5
436.79437	0.4
705.91412	0.4
709.77814	0.4
725.42035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36432	7.2
59.01368	20.8
61.98836	54.4
66.61984	6.0
70.70508	8.9
70.70840	11.3
71.01370	9.5
103.46912	6.9
110.18452	6.8
163.11180	6.4
209.11810	100.0
210.12140	53.5
211.12384	9.4
227.12741	12.8
228.13019	8.6
243.03040	8.1
253.09186	9.2
255.02887	12.8
271.02481	37.3
272.02847	32.2
273.03183	8.9
277.21704	35.3
277.61832	6.1
278.22144	31.3
300.02802	37.0
301.03308	39.0
302.03610	29.0
326.70972	5.9
389.58234	6.3
580.25848	7.0
593.41583	6.9
724.30719	8.3
725.30688	76.3
725.41907	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	725.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
59.01378	28.7
60.01680	0.6
61.98827	19.4
70.32840	0.4
71.01375	4.5
73.02969	0.5
79.05528	1.8
80.78763	0.4
81.03425	0.8
83.05022	0.8
84.36440	0.4
85.02945	0.9
88.17027	0.5
93.03447	0.7
95.05064	0.7
98.19952	1.5
98.20650	1.2
99.00877	15.0
99.04520	2.3
103.05504	0.5
107.05003	0.9
109.02982	0.8
109.64016	0.5
110.37231	0.4
111.04513	1.9
119.05032	0.8
119.08687	0.8
120.05849	0.5
121.02944	2.1
121.06564	2.9
123.04494	1.2
131.08669	0.8
135.04552	2.2
137.02403	0.8
139.03990	0.7
147.04514	14.7
147.08191	0.5
148.04881	0.6
149.06068	1.5
151.07599	1.0
157.06622	0.6
159.04549	0.4
161.06033	1.0
164.04718	0.8
171.08086	0.5
175.07678	0.8
199.11232	0.5
201.09196	0.6
203.07246	0.7
209.09756	0.8
211.07703	0.9
213.09485	0.6
227.10823	2.4
229.12381	0.6
250.78261	0.4
255.10245	1.6
283.09900	0.9
291.47244	0.5
294.08893	0.9
323.11462	0.6
343.11990	0.9
359.18344	0.9
361.12714	0.9
371.11169	0.9
387.18024	1.2
389.12387	14.4
390.12793	0.8
403.17828	0.8
415.17813	0.7
422.02258	0.5
429.20349	0.6
437.15018	0.5
457.18292	0.6
459.16562	13.7
460.16895	1.4
473.23514	0.6
475.19727	10.1
476.20154	1.7
485.17941	2.6
503.19223	100.0
504.19540	15.7
517.22284	3.5
518.23010	0.6
605.24078	2.5
673.99579	0.5
682.24725	0.5
689.17566	0.7
725.14868	0.6
726.85443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68604	0.1
54.56358	0.1
57.96835	0.1
59.01378	0.3
61.98830	100.0
62.98525	0.1
72.15694	0.1
85.57336	0.1
86.20164	0.1
143.04022	0.1
195.96812	0.1
199.13422	0.2
209.11809	1.0
209.13268	0.1
210.12183	0.2
225.11389	0.1
227.12950	0.9
228.13228	0.4
229.42946	0.1
235.08278	0.1
251.63713	0.1
253.09337	0.2
254.09608	0.1
277.21722	1.7
278.22049	1.4
279.22699	0.2
338.40503	0.1
355.65237	0.1
537.99384	0.1
576.39197	0.1
590.95270	0.1
623.24860	0.1
724.21167	0.1
724.42993	0.2
725.20929	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	724.3336
Annotation	2'-Deacetylaustrotaxine
Peak:m/z	Relative Intensity
50.41028	0.8
58.84633	0.8
59.01380	34.8
61.98829	100.0
69.24332	8.2
69.50639	0.9
71.01365	3.8
72.99307	2.1
73.02933	1.1
75.00859	1.6
81.03448	1.2
82.02983	1.2
83.04991	1.1
85.02950	3.2
87.00890	2.0
88.98798	3.8
89.02446	1.1
96.96004	0.9
97.02953	0.9
99.00868	1.3
99.04522	41.0
100.04829	1.1
101.02462	2.3
101.06067	1.5
107.05019	1.2
109.06590	2.8
121.02950	5.7
121.06593	1.0
125.02427	0.9
135.04491	1.1
147.04510	3.8
158.06078	2.2
159.06845	2.6
159.08130	1.2
160.07654	2.8
163.07678	1.1
171.10280	1.6
175.07552	1.1
186.09206	1.5
200.10800	1.1
207.10176	1.5
209.11890	4.4
210.12135	1.0
214.12390	1.8
225.11259	1.6
232.16144	1.0
240.10255	1.4
246.11333	2.8
282.15030	0.9
295.15469	5.7
312.12469	1.0
412.40732	1.0
435.20142	1.5
478.22018	1.2
484.24036	1.2
496.26221	1.2
503.22879	13.3
504.23187	2.9
540.25952	1.6
543.25812	1.6
578.31042	1.4
582.27246	1.3
585.26703	2.4
596.32367	2.9
602.63788	1.1
617.29022	1.2
622.30249	14.1
623.30646	2.1
624.27966	3.2
625.29114	1.4
632.27173	1.5
634.29639	1.8
640.31396	4.2
646.30347	0.9
661.29474	3.7
664.31165	9.5
665.31293	1.9
680.35577	1.7
682.32281	43.3
683.32910	6.7
706.32355	19.9
707.32819	4.9
724.33344	62.0
725.34094	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	724.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00198	0.6
57.03443	0.9
59.01381	35.5
60.01715	0.6
61.89875	0.5
61.98828	100.0
71.01385	2.5
71.54151	1.0
73.02950	3.8
75.00858	0.6
79.05579	0.7
81.02201	3.3
81.03436	0.8
82.02995	4.8
83.05008	1.7
85.02951	2.1
88.98821	1.4
89.02444	0.9
95.05052	0.8
97.06611	0.6
99.00925	0.6
99.04517	54.7
100.04837	1.1
100.19017	0.5
101.02427	0.7
107.05001	1.5
109.06589	4.8
111.04548	1.6
113.02428	1.0
121.02975	2.2
121.06682	0.7
121.94463	0.6
123.04497	0.8
125.06099	0.8
127.04024	0.8
128.57948	0.5
133.06564	0.6
133.10251	1.1
135.04518	2.4
135.08098	0.9
141.05560	1.4
143.77818	0.6
147.04536	1.9
147.11792	1.1
149.06145	0.8
150.05592	2.1
151.04095	0.7
151.07639	1.3
153.05527	0.8
159.06886	2.5
159.08083	0.6
163.07686	0.7
167.05852	1.9
167.07159	0.8
168.06650	4.6
169.12328	1.0
173.09653	1.2
175.07547	0.6
179.10834	1.0
183.64429	0.6
193.08499	0.7
205.12262	1.1
206.95309	0.6
209.11806	1.5
213.12953	0.6
214.12398	0.7
226.08754	0.7
227.09517	3.6
231.10236	0.7
245.10538	2.5
253.12627	0.6
295.15448	4.0
337.16489	0.9
349.16812	0.9
379.17987	0.8
425.20111	0.8
427.20825	0.8
443.20505	1.6
457.22104	0.9
461.21613	1.9
471.23697	1.7
503.22842	51.0
504.23172	8.0
511.07248	0.7
513.24939	1.4
525.25104	0.8
535.25842	1.3
536.25775	0.7
543.26392	2.9
544.26074	0.7
585.27063	17.8
586.27368	4.1
597.23560	2.5
604.28558	1.0
617.29608	5.2
618.29681	0.9
622.30463	3.4
623.30939	0.8
629.25568	1.6
640.31146	5.5
641.31140	1.5
642.31702	1.3
664.30798	2.0
682.32343	30.0
683.32489	6.8
706.32263	5.8
724.33344	44.0
725.33942	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	724.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.9
60.01718	0.1
61.98830	100.0
62.98544	0.2
63.55497	0.1
71.01376	0.5
71.52702	0.2
78.95925	0.2
80.00581	0.1
83.05008	0.1
88.98840	0.2
89.72832	0.1
99.04504	0.9
109.06628	0.1
119.04901	0.1
121.02962	4.0
122.03313	0.8
147.04523	1.8
148.04910	0.5
151.00333	0.2
171.10326	0.3
180.37450	0.1
197.11850	0.3
201.11357	0.1
209.11842	0.2
235.94116	0.1
271.06253	0.2
604.26282	0.2
636.30859	0.1
664.29224	0.2
680.28918	0.6
712.97681	0.1
724.28375	3.3
724.40533	0.2
725.29474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54199	0.9
57.03450	1.3
58.00596	0.9
59.01381	39.2
61.98831	100.0
68.43844	0.9
69.32480	6.4
71.01392	2.4
73.02547	0.8
73.02928	4.6
81.02175	1.9
81.03471	1.0
82.02982	3.8
83.05023	2.0
85.02927	1.6
85.47229	1.1
88.44687	1.0
93.35905	1.1
99.04522	58.8
107.05007	2.2
109.06600	8.2
111.04507	1.1
121.02981	1.0
135.04527	4.8
141.05559	1.6
147.04506	1.6
147.08145	1.9
149.06041	1.1
150.05592	1.6
153.05656	1.1
159.06876	2.0
167.05881	1.5
168.06581	2.7
173.09683	1.2
193.08640	1.0
203.14388	1.2
209.11557	0.9
227.09396	2.3
245.10492	2.7
279.34818	0.9
291.78268	1.1
295.15649	1.5
312.34283	1.2
443.20392	1.5
457.22333	1.6
461.21536	2.8
471.23676	1.4
485.21655	1.5
503.22855	64.5
504.23145	8.9
513.24908	1.4
517.24408	1.6
517.64685	1.0
535.25299	2.0
538.51367	1.0
543.26038	3.7
585.27057	20.4
586.27234	4.6
597.23413	1.6
617.29932	7.0
618.29993	1.8
622.29688	1.6
632.92700	1.0
640.31281	3.3
641.31329	2.2
642.30786	2.0
661.26917	1.8
664.30780	1.3
682.32251	29.8
683.32733	4.3
685.93091	1.1
688.31433	1.5
706.31952	5.4
724.33435	29.6
725.33759	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	723.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
55.60794	0.1
57.03447	0.1
58.00602	0.2
59.01379	3.7
61.98827	1.2
69.03455	0.1
70.70403	0.3
70.70744	0.1
71.01379	2.8
72.99306	0.2
73.02932	0.7
78.95891	0.2
80.02681	1.1
81.03465	1.3
83.01385	0.6
83.05025	4.4
84.02164	0.4
85.02946	0.8
87.00861	0.7
89.02444	1.8
93.03474	0.1
94.17529	0.1
95.01399	0.3
95.05028	0.7
97.02966	0.1
97.06590	0.2
101.02447	2.7
109.06584	0.2
113.02443	1.4
115.04063	0.1
119.03509	0.6
125.06069	0.5
131.03648	0.1
131.96440	0.1
135.08148	0.6
143.03493	0.3
145.05072	0.4
161.04565	1.3
163.11295	3.6
165.12848	2.0
179.05551	0.5
181.12325	0.5
191.10782	1.0
199.13400	0.5
205.19449	0.1
207.10188	0.2
209.11818	100.0
210.12164	5.5
210.14246	0.2
225.11287	0.2
227.12874	11.6
228.13129	0.7
233.22836	0.3
235.08214	2.7
236.08559	0.2
251.33255	0.1
253.09286	9.4
254.09673	0.5
259.20584	0.3
277.21707	74.6
278.22055	6.9
416.52722	0.1
445.20941	1.0
495.33133	0.1
513.30615	0.2
629.38275	0.1
723.42487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
58.00585	0.2
59.01377	2.9
59.66345	0.1
61.98828	1.3
69.03465	0.2
70.82513	0.3
71.01380	2.4
72.99313	0.2
73.02953	0.4
80.02666	1.2
81.03454	1.1
83.01398	0.5
83.05022	3.8
84.02177	0.6
85.02951	0.6
87.00873	0.3
89.02434	1.6
93.03441	0.1
95.01376	0.3
95.05032	0.5
97.02972	0.1
97.06576	0.2
99.00892	0.1
101.02443	1.9
109.06606	0.3
113.02448	0.9
119.03465	0.4
121.43505	0.1
125.06090	0.5
129.91284	0.1
135.08153	0.5
145.14734	0.2
161.04509	0.8
163.11273	3.3
164.11652	0.2
165.12837	2.0
179.05492	0.3
181.12288	0.5
191.10748	0.8
196.64645	0.1
199.13361	0.3
200.37526	0.1
207.10199	0.2
209.11810	100.0
210.12146	6.3
226.11673	0.2
227.12871	11.7
228.13158	0.8
230.14030	0.2
233.22957	0.2
235.08173	1.6
253.09271	7.5
254.09531	0.4
255.12047	0.1
277.21698	52.8
278.22052	5.2
445.20740	1.3
446.21344	0.2
463.21799	0.4
723.41949	0.3
746.27521	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70951	0.4
53.75990	0.3
57.03439	0.9
59.01379	10.4
61.98833	9.2
63.59159	0.4
65.78831	0.3
69.03452	0.5
71.01373	3.8
71.05022	0.4
72.99304	0.8
73.02946	1.0
75.00864	0.6
80.96516	0.5
81.03465	1.1
83.05022	4.0
84.02180	1.2
85.02954	1.9
87.00879	1.1
87.04539	0.4
88.98819	1.0
89.02456	2.0
93.03437	0.3
95.05041	0.6
96.96021	0.6
97.02940	0.6
99.00887	0.4
99.04531	2.7
101.02428	2.7
113.02447	1.8
119.03495	0.9
121.02941	0.8
125.02539	0.5
125.06051	0.5
125.09720	0.7
127.11289	0.9
129.02011	0.5
135.08115	0.7
143.03575	0.4
161.04572	1.4
161.53380	0.4
163.11310	3.6
165.12807	1.5
169.12350	1.5
171.10294	2.2
179.05626	0.5
181.12453	0.6
191.10764	0.6
201.11324	20.7
202.11659	1.1
209.11819	100.0
210.12166	5.4
225.11249	0.5
227.12883	14.1
228.13173	0.8
235.08199	3.0
245.18753	0.4
253.09283	7.6
265.09412	0.5
279.16071	0.6
375.21555	0.5
384.39233	0.4
402.33932	0.4
405.21918	0.4
429.26401	1.6
430.26703	0.5
437.20413	1.3
445.20654	5.1
463.39133	0.5
471.27307	1.1
475.27203	0.5
499.27313	0.9
517.28131	12.3
518.28290	2.5
531.25861	1.5
532.26672	0.6
559.29413	1.9
573.27045	1.5
589.28705	0.5
611.30310	0.8
613.26721	0.9
615.27832	1.8
619.30231	0.5
629.31439	0.5
633.29047	1.3
637.32031	1.5
656.48932	0.4
679.33112	4.6
680.33722	1.7
705.33563	0.5
723.31989	2.2
724.34204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01721	1.2
60.99299	0.2
61.98832	7.2
67.30832	0.2
69.62846	1.1
71.01395	1.0
83.05029	0.4
85.02954	0.5
87.00894	0.3
88.98824	0.7
96.96011	0.2
99.00883	3.2
99.04530	0.8
107.05010	0.2
109.03030	0.2
111.04538	0.7
121.02962	1.8
145.06577	0.2
147.04527	4.2
171.10164	0.3
212.63791	0.2
559.23706	0.4
563.26270	0.2
573.25574	0.2
597.15991	0.2
601.24640	0.8
619.25354	0.3
663.28351	1.7
663.39203	0.3
664.28680	0.4
723.30939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75257	1.5
57.03441	4.3
59.01381	100.0
60.99302	3.5
61.98833	56.3
63.99251	1.5
69.03461	1.8
69.30351	1.2
69.30678	11.3
71.01379	18.0
72.99310	5.5
73.02954	6.3
75.00874	2.7
80.96498	1.4
81.03482	2.0
81.22536	1.3
83.01402	2.2
83.05027	3.4
84.02178	3.7
85.02959	13.1
85.96201	1.4
87.00882	5.1
88.98813	22.9
89.02455	9.8
89.72675	1.2
90.57312	1.3
93.03452	1.3
95.01364	1.9
95.05013	1.6
96.95981	2.1
97.02959	1.7
97.06583	2.6
98.19872	2.4
99.00884	16.6
99.04514	31.9
101.02422	9.4
103.03970	2.1
107.05030	2.3
109.02985	1.5
109.06589	1.9
111.04517	2.2
113.02471	7.6
115.00362	2.7
116.92847	2.8
119.03516	1.5
121.02955	2.7
125.02412	2.7
125.09699	1.3
135.04541	3.0
137.06078	2.0
141.05423	1.3
147.04526	4.1
147.08182	2.1
161.04541	3.6
165.09148	1.4
169.12297	2.0
171.10242	6.3
173.09700	1.7
177.09262	2.6
189.04048	5.5
189.09178	1.4
193.08623	1.5
201.11259	2.4
207.10254	1.6
209.11845	11.5
210.12007	1.6
212.63181	1.5
225.11363	2.9
242.09444	1.4
257.11838	1.5
258.13684	4.6
279.15970	1.9
288.14685	2.2
361.15601	3.0
429.26544	6.4
459.23816	2.4
471.27209	2.9
473.29291	13.0
474.29196	3.0
475.27777	2.1
489.21298	12.8
490.21213	2.5
499.27139	3.0
513.25519	2.0
517.28064	54.1
518.28625	8.5
529.24384	3.6
531.26202	6.0
533.28931	3.4
543.25659	2.9
553.24060	3.0
555.26544	1.7
559.29297	16.7
560.29138	4.4
563.33978	6.8
571.25513	13.3
572.25659	1.8
573.26678	5.0
577.30688	2.3
578.29980	1.5
585.26678	2.9
595.25433	7.9
596.26086	2.1
603.28137	30.9
604.28253	5.2
613.26508	18.8
614.26910	3.1
615.28027	3.6
619.30432	2.2
631.27490	3.7
645.28986	3.2
663.29230	1.9
679.33044	23.1
680.33868	5.3
687.31567	2.4
713.16473	1.9
723.32697	11.6
724.33411	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	723.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
55.53176	0.6
55.88733	0.7
57.03463	0.9
59.01380	77.2
60.01717	4.7
61.01805	2.1
61.98831	100.0
69.91196	3.2
71.01385	11.0
71.42440	0.7
72.01705	0.6
73.02949	1.4
75.00885	0.9
77.19189	0.6
78.95908	2.6
79.05521	0.7
83.01398	1.9
84.00810	0.8
85.02962	3.1
87.00867	1.0
89.02448	1.0
90.64790	0.7
93.03455	1.5
95.05004	0.8
97.02966	2.4
97.10615	0.7
98.00081	1.4
99.00897	2.6
99.04562	1.8
101.02464	5.2
102.02770	0.7
103.05553	2.4
103.86974	0.8
109.06598	1.1
113.02467	2.1
119.05025	3.3
121.02956	92.2
122.03297	2.9
123.04496	0.9
131.05052	0.9
133.06635	1.4
141.01849	1.8
141.05618	0.9
142.05099	1.8
145.06642	1.1
147.04521	81.3
148.04895	3.1
152.99593	1.2
161.04562	6.6
162.04926	1.6
171.10251	3.1
173.09798	1.0
187.11259	1.4
197.11862	1.1
207.08324	0.8
207.10300	1.9
209.11789	2.4
225.11284	1.4
263.19806	0.7
318.77081	0.7
391.19629	1.0
397.13348	1.0
398.13971	0.9
399.14063	1.0
487.69574	0.8
561.24567	1.2
662.39551	1.5
663.39581	1.9
679.29028	12.6
680.29382	2.3
691.29309	1.0
723.28076	96.2
724.28363	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	723.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.2
59.01378	0.8
60.10490	0.2
63.18013	0.2
65.05486	0.1
71.01379	0.5
79.95729	4.6
89.02436	0.3
95.95291	0.2
96.27261	0.2
96.96011	78.1
97.95927	0.3
98.95593	1.7
98.96407	0.4
101.02422	0.3
103.04021	0.2
107.88522	0.2
207.75981	0.2
217.35223	0.2
289.11142	100.0
290.11462	8.4
291.10858	2.7
292.11002	0.2
381.86557	0.2
417.15231	0.3
429.77292	0.2
442.72205	0.2
484.08615	0.2
538.19684	0.2
723.25800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89894	1.5
59.01383	94.8
61.98830	96.8
71.01386	7.8
73.02953	1.9
75.00863	3.5
78.95936	7.5
83.05031	2.9
85.02956	4.6
88.98794	4.9
95.05030	1.6
96.96022	1.6
97.02943	3.3
97.06596	2.0
98.19961	5.2
99.00903	1.9
99.04517	67.0
100.04836	1.9
101.06065	3.3
105.07118	1.6
107.05035	1.9
109.06581	3.0
111.04489	2.2
121.02975	7.3
129.90440	1.9
133.06622	3.2
135.04500	3.1
136.05284	2.1
137.06055	4.4
147.04503	9.8
147.08124	2.5
152.99590	3.6
159.08138	2.0
160.12323	1.4
161.09727	3.2
171.10315	4.4
172.82790	1.5
185.09723	2.0
187.11261	2.5
199.07788	1.6
207.10298	2.3
209.11844	4.8
210.12212	1.7
211.13368	4.1
213.09119	3.2
214.09874	1.9
215.10817	1.7
225.11235	2.8
229.29355	1.8
253.09334	1.6
269.15369	2.1
295.15576	3.6
339.19659	1.7
373.20084	2.4
401.23386	5.6
409.20184	2.0
427.21143	8.7
445.22195	9.2
473.25317	5.8
483.27371	4.7
487.23840	2.4
503.23178	3.5
509.25400	17.3
510.25595	3.9
511.23553	2.0
515.26227	3.5
527.26526	40.5
528.26978	7.0
534.29565	2.1
534.37183	1.8
551.26355	9.1
557.27008	3.0
569.27545	78.3
570.27795	11.8
593.27386	5.8
600.31561	1.5
603.25995	2.3
611.28577	100.0
612.28992	19.1
613.26392	3.2
621.27155	5.4
631.26935	2.8
633.29388	2.7
637.26349	4.6
645.27637	3.7
655.27551	71.5
656.28094	12.4
687.30353	14.6
688.30725	2.5
723.36713	5.0
724.36188	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	723.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33100	0.6
59.01380	26.8
61.98830	50.9
64.95124	0.6
69.16061	3.2
69.16487	3.3
71.01369	4.1
78.95911	1.2
92.56493	0.7
93.03463	0.8
98.20287	4.0
99.00882	0.8
99.04545	2.2
103.05543	1.6
113.63967	0.7
119.05047	2.2
121.02958	100.0
122.03293	3.7
131.05061	1.0
133.06575	1.0
138.42273	0.7
147.04527	46.3
148.04848	1.1
161.09669	1.3
171.10216	1.6
173.09663	1.2
175.20102	0.6
187.11305	1.6
209.11751	1.3
268.06018	0.7
285.84265	0.8
464.70612	0.9
545.46606	0.7
577.24512	0.8
603.26208	4.1
621.26599	1.5
635.29858	1.6
662.30627	0.8
663.28882	2.5
679.29083	14.7
680.29163	2.1
712.58246	0.9
723.28064	71.4
724.28381	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	723.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	59.7
61.77312	1.2
61.98828	100.0
69.03435	1.3
69.96196	1.2
71.01370	4.8
71.53103	1.1
73.02924	1.4
79.05522	1.3
85.02954	3.9
87.00847	2.0
88.98809	1.2
96.95972	1.4
99.00871	2.4
99.04517	29.1
99.06247	1.4
101.02424	3.2
103.03975	1.2
107.05093	1.3
109.06575	2.1
111.04507	1.5
120.08128	1.2
121.02975	9.2
125.06024	1.3
136.05238	1.1
147.04533	10.2
147.08141	2.1
161.09711	3.9
178.36620	1.2
187.11258	4.3
197.11827	1.5
199.07655	1.2
209.11803	3.2
211.13371	2.9
213.09212	1.3
223.13354	1.8
232.36360	1.2
373.20355	1.6
409.20660	1.4
427.21140	4.9
469.22150	2.3
470.31070	1.2
491.23944	1.4
501.17169	1.5
509.25598	7.8
513.21185	2.5
551.26428	7.1
553.24384	9.7
585.27368	1.5
595.25446	82.2
596.25812	10.3
613.26532	2.7
627.28143	25.5
628.28400	4.4
687.29895	5.3
723.31488	4.3
724.34625	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	723.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	32.8
59.43277	0.7
61.16964	0.9
61.98835	85.7
65.03976	0.7
68.77850	0.7
69.03457	1.8
70.54750	0.6
71.01379	5.2
72.99317	4.7
78.95927	3.5
81.03465	1.6
83.05015	1.2
84.51824	0.7
85.02954	4.8
87.00870	2.4
88.74364	0.8
93.03460	2.5
95.01389	0.9
95.05023	1.5
97.02932	1.6
97.06593	1.0
99.00877	8.0
99.04512	3.0
101.02454	2.4
103.05518	1.2
107.05021	1.7
109.02954	1.5
111.04539	5.7
113.02438	2.0
114.66183	0.9
116.92886	1.1
117.47037	0.8
119.05016	2.4
121.02950	8.3
121.06598	2.2
123.04533	4.1
125.02455	2.5
125.09726	2.5
126.02785	1.1
127.03999	2.6
135.04482	0.9
135.21608	0.8
137.06099	1.3
139.03967	0.8
145.21593	0.7
147.04530	100.0
148.04837	4.2
149.06052	3.1
151.04057	1.3
152.99545	1.1
161.06078	1.6
165.05591	2.6
167.03500	1.4
167.07158	0.8
171.10333	1.3
177.05577	0.9
193.05034	5.0
194.05930	1.1
202.10713	0.8
207.10313	1.3
209.11794	1.7
211.06168	2.8
225.11328	1.2
230.15521	3.4
231.15948	1.6
298.18237	1.1
316.19208	4.1
317.19537	2.3
383.24478	1.0
418.26233	1.3
419.26251	1.1
437.16110	1.6
455.16989	1.2
473.18201	2.9
479.17081	1.5
491.19510	2.9
559.27216	1.1
577.20734	1.6
585.21588	1.1
603.22491	4.3
604.23346	1.2
616.16431	0.9
621.23590	8.0
622.24481	1.2
627.23267	1.0
645.23334	1.7
661.27161	0.9
663.27649	2.4
687.30804	1.1
691.23901	55.6
692.24146	12.0
722.37677	3.4
723.37854	15.4
724.38922	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53403	0.5
59.01379	15.7
60.01709	0.4
61.98829	16.7
62.65950	0.5
68.99816	1.1
69.03463	0.8
71.01382	7.9
72.99306	4.0
73.02943	0.7
78.95930	0.9
81.03453	1.0
83.05038	1.4
85.02959	4.7
87.00871	1.4
87.04476	0.7
88.98826	1.1
93.03463	2.5
93.53613	0.4
95.05035	2.1
97.02952	1.4
98.20662	1.2
99.00878	22.8
99.04521	1.3
100.01284	0.7
101.02464	1.4
103.05533	1.2
107.05032	1.1
109.02941	1.2
109.06599	0.7
111.04520	4.5
113.02450	1.7
119.05016	2.3
119.16048	0.5
121.02964	6.5
121.06587	2.0
123.04534	2.3
125.02461	1.8
127.04003	2.2
127.45004	0.5
135.04523	1.5
135.29523	0.4
137.02460	1.4
137.06081	1.5
139.04018	1.6
141.05576	0.5
147.04523	100.0
148.04842	4.4
149.06085	2.5
150.03217	0.6
151.03992	1.5
161.06093	1.1
165.05524	1.7
167.03481	1.4
177.05547	1.0
185.05959	0.6
187.04111	0.6
193.05023	4.0
194.05847	0.9
203.07080	0.6
209.11771	1.1
211.06052	3.3
211.13396	1.2
212.13708	0.6
229.08977	0.5
299.29935	0.5
401.72891	0.6
425.16144	0.6
436.03098	0.6
437.16055	1.4
455.16977	1.2
473.18039	2.9
479.17056	0.7
491.19321	2.1
492.20053	0.6
559.19604	0.7
577.20990	1.4
585.21387	1.8
603.22076	2.9
604.22937	0.8
621.23505	5.6
622.24139	0.8
645.23706	1.8
691.23920	27.4
692.24231	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	723.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17344	0.7
57.03445	4.8
57.21783	0.7
57.84605	0.7
59.01383	11.9
60.02004	0.8
61.98838	4.0
63.28061	0.7
71.01385	9.6
71.09078	1.0
71.09431	1.7
71.26221	0.7
72.99313	1.3
73.02950	2.6
82.04447	0.7
83.01407	1.1
84.83880	0.8
84.86768	0.7
85.02956	17.1
87.00874	10.2
88.98788	0.8
89.02467	3.7
96.96016	19.4
97.02902	0.8
97.06526	0.8
98.95582	1.7
98.96375	0.7
99.04514	1.4
101.02443	4.2
103.04015	24.9
107.05009	0.9
111.00917	0.7
113.02412	2.0
113.04340	0.7
116.92839	2.4
119.03506	1.0
122.06145	1.0
125.02336	0.9
133.06580	1.3
135.04485	1.1
143.03372	0.7
147.04530	1.2
149.06084	1.1
151.11461	0.7
160.01575	1.0
165.05580	1.0
182.03737	0.9
189.05649	1.0
205.05000	1.5
206.05875	1.0
207.06615	1.0
212.04745	1.3
224.04849	0.8
240.04231	3.5
250.48479	0.8
252.04247	1.3
253.08670	2.0
265.05045	1.0
265.09198	2.6
266.05750	0.9
268.03745	2.2
278.05750	0.9
279.06598	1.2
282.05249	0.8
283.06113	10.0
285.07730	1.2
289.11115	2.3
291.09644	1.0
291.12741	15.0
292.07169	0.9
293.08237	2.2
296.06754	2.3
297.07690	5.8
298.08112	1.4
301.07343	1.3
301.10794	1.1
307.09479	0.8
309.07657	6.2
309.10913	1.1
310.08423	1.0
311.09198	1.8
312.10013	5.8
313.10870	1.1
323.05359	1.3
324.06503	1.3
324.09946	3.0
326.11597	1.1
327.12241	4.9
337.07156	1.9
338.07953	1.3
339.08725	1.9
352.09451	2.6
353.10461	1.4
355.08090	1.7
367.08289	1.1
368.08807	1.2
368.12885	1.3
370.10510	2.2
371.11166	2.9
382.06812	2.4
383.11328	2.4
395.07706	0.9
397.09119	4.3
412.11588	7.0
413.12155	1.9
425.12665	1.6
427.14032	1.1
439.17621	1.9
445.15015	1.1
475.15964	4.0
483.61752	0.9
487.16159	6.2
488.16858	1.0
517.17334	2.1
579.30420	0.9
618.19128	1.4
619.20697	0.9
631.20190	2.5
649.24731	1.1
679.35614	1.0
691.21973	1.1
693.23578	1.5
705.22766	1.1
723.24939	100.0
724.25317	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	722.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96545	0.1
59.01378	0.2
61.98829	100.0
62.98523	0.3
70.59172	0.2
78.42844	0.1
78.95910	0.4
152.99579	0.4
209.11818	1.1
253.21761	0.2
369.84464	0.1
416.70416	0.1
487.19467	0.5
523.06940	0.1
723.41156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46479	0.1
55.45987	0.1
61.98829	100.0
62.91095	0.1
62.98529	0.2
71.01009	0.2
78.95902	0.1
138.42282	0.1
260.68661	0.1
291.19794	0.1
343.60510	0.1
659.46027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17344	0.7
57.03445	4.8
57.21783	0.7
57.84605	0.7
59.01383	11.9
60.02004	0.8
61.98838	4.0
63.28061	0.7
71.01385	9.6
71.09078	1.0
71.09431	1.7
71.26221	0.7
72.99313	1.3
73.02950	2.6
82.04447	0.7
83.01407	1.1
84.83880	0.8
84.86768	0.7
85.02956	17.1
87.00874	10.2
88.98788	0.8
89.02467	3.7
96.96016	19.4
97.02902	0.8
97.06526	0.8
98.95582	1.7
98.96375	0.7
99.04514	1.4
101.02443	4.2
103.04015	24.9
107.05009	0.9
111.00917	0.7
113.02412	2.0
113.04340	0.7
116.92839	2.4
119.03506	1.0
122.06145	1.0
125.02336	0.9
133.06580	1.3
135.04485	1.1
143.03372	0.7
147.04530	1.2
149.06084	1.1
151.11461	0.7
160.01575	1.0
165.05580	1.0
182.03737	0.9
189.05649	1.0
205.05000	1.5
206.05875	1.0
207.06615	1.0
212.04745	1.3
224.04849	0.8
240.04231	3.5
250.48479	0.8
252.04247	1.3
253.08670	2.0
265.05045	1.0
265.09198	2.6
266.05750	0.9
268.03745	2.2
278.05750	0.9
279.06598	1.2
282.05249	0.8
283.06113	10.0
285.07730	1.2
289.11115	2.3
291.09644	1.0
291.12741	15.0
292.07169	0.9
293.08237	2.2
296.06754	2.3
297.07690	5.8
298.08112	1.4
301.07343	1.3
301.10794	1.1
307.09479	0.8
309.07657	6.2
309.10913	1.1
310.08423	1.0
311.09198	1.8
312.10013	5.8
313.10870	1.1
323.05359	1.3
324.06503	1.3
324.09946	3.0
326.11597	1.1
327.12241	4.9
337.07156	1.9
338.07953	1.3
339.08725	1.9
352.09451	2.6
353.10461	1.4
355.08090	1.7
367.08289	1.1
368.08807	1.2
368.12885	1.3
370.10510	2.2
371.11166	2.9
382.06812	2.4
383.11328	2.4
395.07706	0.9
397.09119	4.3
412.11588	7.0
413.12155	1.9
425.12665	1.6
427.14032	1.1
439.17621	1.9
445.15015	1.1
475.15964	4.0
483.61752	0.9
487.16159	6.2
488.16858	1.0
517.17334	2.1
579.30420	0.9
618.19128	1.4
619.20697	0.9
631.20190	2.5
649.24731	1.1
679.35614	1.0
691.21973	1.1
693.23578	1.5
705.22766	1.1
723.24939	100.0
724.25317	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	721.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
59.01379	11.9
61.98832	3.4
62.44475	0.4
65.49132	0.4
69.03436	0.7
69.93768	1.8
71.01376	7.3
72.99300	0.7
73.02948	2.3
78.95914	0.5
80.02649	0.7
81.03468	1.2
83.01382	0.7
83.05032	1.7
85.02943	1.4
87.00880	1.6
89.02442	5.3
93.03445	1.0
95.01392	2.0
95.05038	4.6
97.02961	4.0
97.06583	0.5
99.00898	0.8
99.04506	1.0
101.02436	6.4
106.04250	0.9
107.05052	0.5
109.06590	10.4
110.03738	2.6
110.06886	0.6
111.04549	0.8
111.08173	0.8
113.02461	3.2
115.04018	0.4
119.03503	1.3
119.08693	0.5
121.06605	1.1
123.04483	0.6
125.02444	0.5
125.09710	0.7
133.04988	0.5
135.08170	1.2
137.09764	0.5
142.02754	0.6
145.05087	0.7
145.10242	0.8
151.11281	0.7
153.12843	0.5
161.04578	2.4
161.09758	1.2
163.07610	0.7
163.11292	12.2
164.11638	0.5
169.12329	0.9
179.05644	2.3
179.10748	1.8
181.12361	2.0
189.09203	5.1
192.07915	0.5
197.11913	1.0
207.10260	45.6
208.10626	2.8
209.11870	1.2
225.11319	100.0
226.11652	5.8
235.08217	8.2
249.11105	0.6
253.09285	11.2
254.09756	0.5
255.23329	3.3
277.21716	81.2
278.22061	6.9
299.15045	1.2
443.19165	9.2
444.19583	1.2
461.20279	18.3
462.20276	2.1
598.65967	0.4
601.34973	0.4
683.39880	0.9
690.47229	0.5
703.41632	0.7
721.41650	23.7
722.41870	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	721.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01117	1.0
59.01380	14.1
59.61145	0.7
61.98827	4.4
67.29372	0.7
69.03437	1.1
71.01379	8.3
71.53490	0.8
73.02943	2.9
83.05025	1.7
85.02950	2.3
87.00874	2.9
89.02437	3.5
95.01383	2.3
95.05022	5.1
96.56737	0.7
97.02933	3.5
97.74696	0.7
99.04514	1.3
101.02444	6.5
109.06593	5.7
110.03732	1.4
111.04505	2.2
113.02460	3.7
113.03523	0.8
119.03499	1.4
123.04525	0.7
143.03548	0.8
145.05025	1.7
149.09692	0.7
151.11357	1.5
152.99582	0.7
161.04564	2.2
161.09651	1.9
163.11267	9.7
164.11650	0.8
164.54819	0.7
169.05000	0.8
169.12320	0.9
179.05579	1.2
179.10722	2.4
181.12372	1.8
189.09178	4.4
197.11787	1.4
203.10605	0.7
207.10240	27.1
208.10603	1.1
209.11800	1.1
225.11308	100.0
226.11700	4.9
235.08220	17.2
236.08469	1.2
253.09297	13.9
256.87378	0.8
277.21710	89.1
278.22031	7.8
390.01276	0.8
443.19113	11.3
444.19711	1.6
461.20215	14.4
462.20709	1.7
721.41583	15.0
722.41968	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	721.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01073	0.6
59.01379	11.9
61.98830	2.8
64.82210	0.3
67.56879	0.4
71.01386	7.3
71.36330	0.4
71.36678	0.5
73.02948	1.6
79.77268	0.4
81.03480	0.7
83.01388	0.7
83.05040	1.3
85.02959	3.1
87.00899	0.5
89.02436	2.5
95.01382	1.1
95.05021	0.9
97.02947	1.6
97.06580	0.4
99.00877	1.2
99.04533	0.4
100.45647	0.6
101.02451	4.9
108.02155	0.9
109.02927	0.4
109.06598	7.8
110.03731	0.5
111.04518	0.5
113.02455	3.7
121.06602	0.7
122.03783	0.4
123.04522	1.0
125.09716	1.7
135.08163	0.7
136.05336	0.5
143.03506	0.8
149.32532	0.4
159.03006	1.0
161.03256	0.7
161.04555	9.6
161.05876	0.5
161.09724	2.1
163.11292	4.6
165.09183	1.1
173.52902	0.4
177.12869	0.8
179.10764	4.4
181.12335	0.8
187.09698	0.8
189.09225	1.5
197.11842	0.5
206.09483	4.3
207.10251	23.7
208.10645	1.3
209.11806	0.7
221.11827	30.3
222.12138	1.8
225.11324	24.4
226.11656	1.4
233.22643	0.4
235.08234	1.0
253.09335	3.8
275.20093	0.6
277.21725	100.0
278.22052	8.1
294.12885	0.3
301.22415	0.4
383.17075	1.1
409.50562	0.4
441.33667	0.6
443.19333	3.0
461.20239	6.0
462.20407	0.6
625.40594	0.5
683.40198	1.0
685.40186	0.6
703.40735	0.6
721.41687	9.4
722.42255	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03450	0.4
59.01380	100.0
60.01711	0.9
61.98832	5.2
67.80131	0.2
69.03486	0.2
70.63523	0.7
70.71120	0.2
71.01382	12.0
72.99326	0.3
73.02950	3.0
78.95915	1.3
81.07788	0.3
83.01383	1.2
83.05103	0.3
85.02953	4.1
85.03468	0.2
86.00124	0.4
87.00894	1.1
89.02452	1.9
95.01420	0.7
97.02963	0.4
99.00873	1.5
99.04537	0.7
101.02445	6.2
109.06715	0.3
113.02460	4.0
121.02972	1.2
125.02464	0.7
129.01971	0.5
143.03546	1.0
147.04501	1.4
152.99538	0.4
159.02998	2.1
161.04556	10.0
171.10364	0.3
209.11905	0.9
263.20187	1.7
397.13339	2.2
415.14954	0.8
455.32062	0.6
469.33328	0.7
485.32788	1.9
559.22174	0.3
571.36536	1.7
629.37103	2.2
630.37488	0.3
661.28986	0.4
661.39496	5.4
662.40112	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39845	0.7
59.01382	100.0
60.01718	0.8
61.56403	0.6
61.98834	11.0
63.42754	0.8
70.52511	2.0
70.52861	0.7
71.01402	2.6
78.95919	0.8
83.05073	0.7
88.98833	1.1
89.02473	1.1
94.98112	2.0
96.29682	0.8
97.06592	0.8
99.04543	0.8
101.02443	0.7
103.05541	0.9
103.96614	0.7
107.05000	0.9
109.06684	0.9
119.02281	0.7
119.05136	0.8
120.73305	0.7
121.02950	4.5
147.04526	47.5
148.04903	2.7
151.04022	0.8
164.28358	0.7
171.10419	0.9
199.11349	1.3
207.10352	3.0
209.11891	2.9
225.11324	1.6
230.77863	0.9
243.10338	1.7
277.21747	0.9
293.21414	1.3
382.41974	0.8
587.26508	74.8
588.26855	14.8
643.30249	0.9
721.30902	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	721.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.4
55.51807	0.9
57.03456	2.0
59.01378	45.3
59.29362	1.0
59.94306	1.1
60.01706	0.9
60.99327	0.9
61.98830	35.9
68.99522	0.9
71.01386	10.2
71.05032	4.7
71.54591	1.5
72.99309	11.7
73.02954	3.1
73.99602	0.8
75.00875	5.0
80.96506	1.7
81.03461	1.9
82.12094	1.1
83.01376	2.0
83.05040	8.2
84.02162	1.8
85.02969	4.3
87.00871	3.3
88.98804	4.0
89.02445	5.1
95.05007	2.4
96.96033	1.3
97.02942	4.2
97.06595	2.1
99.00886	17.0
99.04520	8.8
101.02448	6.1
101.06155	1.0
103.04013	2.2
109.06577	2.9
113.02458	2.9
119.03507	1.3
119.82838	0.9
121.02948	4.5
123.08134	2.0
125.02454	1.4
125.09729	6.3
127.11314	1.5
135.08157	2.0
147.04575	1.5
153.12866	0.9
161.04567	1.6
163.11266	13.9
165.12854	3.1
169.12306	2.5
171.10228	5.0
181.12329	17.1
181.13777	1.6
182.12553	1.4
191.10721	2.1
197.11812	4.5
198.12183	1.4
199.13399	21.8
200.13672	1.3
207.10243	33.6
207.12212	1.9
208.10521	2.1
209.11810	82.1
209.21432	1.1
210.12172	7.6
225.11310	58.2
226.11609	4.1
226.68251	1.0
227.12854	9.9
235.08310	1.7
243.12366	15.0
253.09264	2.5
322.44711	1.0
348.91266	1.1
415.15796	1.0
461.20212	6.8
471.23785	1.4
479.21130	1.7
495.23505	1.2
620.28210	1.7
653.31696	4.0
661.29034	3.1
662.29688	5.9
671.32300	4.6
689.33875	100.0
690.34265	15.4
721.37213	55.6
722.35925	8.0
751.79333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54485	0.6
53.10900	0.7
55.01881	0.7
57.03421	2.0
59.01378	19.1
60.12143	0.6
61.98827	49.2
62.18786	0.8
69.54867	2.0
69.55280	2.3
70.99412	0.6
71.01378	8.8
71.05016	2.5
72.99307	2.0
73.02940	2.0
75.00860	0.9
79.46645	0.7
80.02652	0.8
80.96505	0.8
81.03436	1.1
82.48887	0.7
83.01354	1.1
83.05004	3.1
84.02177	1.2
85.02924	2.5
87.00866	1.6
88.98787	1.6
89.02433	3.6
95.05038	1.4
95.38760	0.6
96.96017	2.6
97.02945	3.3
97.06599	3.3
98.86060	0.7
99.00884	18.2
99.04515	6.0
101.02435	5.9
101.06042	0.9
103.04007	3.0
109.06593	1.7
111.04510	1.2
113.02459	3.2
116.92884	1.4
119.03529	0.7
121.02945	1.5
123.08174	1.8
125.06114	1.0
125.09698	6.0
135.04443	0.8
135.08202	1.3
136.05319	1.0
153.12843	0.8
161.04533	1.1
163.11288	12.2
164.07820	0.6
165.12851	1.7
171.10286	10.8
179.10635	1.0
181.12321	15.2
197.11778	1.4
199.13361	9.9
200.13809	1.0
201.11333	0.9
207.10258	25.1
207.12210	1.4
209.11816	45.9
210.12137	2.9
225.11302	36.1
225.13541	1.0
226.11650	2.1
227.12927	3.9
235.08272	0.9
243.12364	18.8
253.09222	3.3
265.09320	1.4
461.20422	2.6
479.21246	4.9
489.21219	2.3
497.27533	3.1
515.26471	1.2
557.27637	1.1
571.25275	1.6
578.14264	0.7
591.38953	0.8
601.27307	2.3
603.28564	1.8
643.28113	1.0
661.29572	0.9
671.32782	3.5
677.32056	3.4
689.33868	100.0
690.34094	15.8
721.36823	10.0
722.35870	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01722	1.1
61.98828	7.0
62.70464	0.3
63.77520	0.3
66.36016	0.4
71.01374	2.6
78.95905	2.2
96.96004	2.6
96.96944	0.5
98.62916	0.4
99.00888	2.9
99.04521	7.1
120.42565	0.4
121.02956	17.4
122.03293	0.8
147.03568	0.4
147.04530	2.4
152.99634	1.2
157.91020	0.4
171.08144	0.4
171.10320	0.5
187.07642	0.5
194.76450	0.4
200.65288	0.5
207.10312	0.4
209.11859	1.0
215.10948	0.5
247.46001	0.4
312.52499	0.4
371.16864	0.4
495.23926	1.0
561.28821	1.7
589.28632	0.8
615.29694	0.6
617.26984	2.6
618.28125	0.6
625.28833	1.1
633.31909	0.5
643.29163	4.8
644.29492	1.1
661.30109	10.6
662.30426	2.1
721.30621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62158	0.5
57.03439	1.2
59.01382	14.3
61.98830	5.2
70.50304	0.5
70.50665	1.4
71.01382	6.3
72.99306	6.7
73.02953	1.1
75.00898	0.4
79.95685	0.4
81.03439	0.8
83.01365	0.6
83.05019	1.2
84.02166	6.1
85.02953	5.8
87.00875	22.3
87.04503	0.5
88.01182	0.6
88.98808	0.8
89.02447	1.9
95.01407	1.4
95.05037	0.6
96.96014	7.1
99.04529	3.7
101.02446	2.5
103.04037	0.8
107.05022	0.8
109.06606	0.5
112.01681	0.5
113.02447	10.5
116.92861	1.5
119.03529	0.5
121.02900	0.6
125.02463	0.6
131.03471	0.6
135.04568	0.9
143.03450	1.4
151.07707	0.5
151.11250	0.6
161.04555	2.0
163.11285	0.8
169.12341	0.5
171.10266	6.8
177.09192	0.5
181.12350	0.6
181.19499	0.5
197.11790	0.7
201.11220	0.6
207.10226	0.7
209.11815	9.1
210.12257	0.6
217.47435	0.5
225.11301	3.3
227.12860	1.1
253.09311	1.2
265.09384	1.0
265.80780	0.5
277.14444	3.2
278.15216	4.3
279.15775	0.6
341.21002	0.6
345.20728	0.7
381.24185	0.8
411.25537	2.9
429.26361	3.2
455.24640	1.7
461.20157	0.6
469.25699	0.9
473.25476	14.8
474.25745	1.7
487.20468	0.8
487.27020	4.7
488.27158	0.6
489.21249	1.8
497.25494	1.5
515.26495	100.0
516.26831	14.6
529.28040	16.5
530.28595	2.9
557.27563	34.2
558.27777	5.4
559.25122	0.6
569.27502	0.9
571.25421	1.3
587.28613	3.9
601.26416	1.9
603.28058	1.2
617.29767	1.3
631.29065	0.8
635.31348	0.7
643.27429	1.1
661.28552	1.2
677.32294	2.8
721.30231	8.2
722.30792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53822	0.9
56.47393	0.8
59.01378	40.0
60.99305	1.7
61.98829	100.0
63.99226	1.0
71.01382	5.9
75.00858	3.3
79.05527	1.7
80.96490	1.4
81.03442	1.3
83.05023	3.1
83.55596	0.8
84.02177	1.0
85.02943	3.0
87.00872	2.9
88.98811	7.3
89.02483	1.6
96.96006	1.9
99.00900	0.9
99.04518	26.4
101.02424	2.0
103.31507	0.8
107.05033	1.6
109.06559	3.4
111.04514	3.2
113.02451	1.8
113.93050	0.8
115.03987	1.0
116.92830	1.8
117.05532	0.9
117.92818	1.4
121.02950	2.9
123.04543	1.0
125.30354	0.9
127.04040	1.1
133.06532	0.9
135.04524	3.5
135.08215	0.9
137.06107	2.8
141.05580	0.9
141.68396	0.8
147.08124	1.4
149.09750	1.0
151.07584	1.7
157.06519	0.9
159.08063	1.4
161.04558	0.9
161.06036	1.5
162.46812	1.0
163.03970	1.1
163.07585	1.5
165.09132	1.2
167.07121	1.9
171.10265	4.3
173.09698	1.2
175.07643	1.8
177.09193	1.7
189.05510	1.5
191.07108	1.4
191.10730	1.4
193.08691	1.1
207.10208	1.1
209.11868	6.4
213.09181	1.0
215.07292	1.0
215.10950	1.1
217.08795	1.1
225.11157	1.4
227.13051	1.0
228.01227	0.9
241.12439	1.2
247.09756	1.2
252.34921	1.0
253.09204	1.2
257.11829	1.3
271.13354	1.3
301.14398	1.0
371.18402	1.0
397.93304	1.0
429.18933	1.3
441.18939	1.3
443.20966	1.0
445.19183	1.0
457.25998	1.4
459.19836	1.1
487.19913	1.7
489.21298	19.7
490.21646	2.5
499.20248	1.5
499.27011	18.5
500.27264	2.4
501.21313	4.0
503.23053	2.2
513.28693	2.0
519.21918	2.8
519.29315	1.7
529.24524	1.5
541.28351	2.3
559.25311	3.9
571.25354	15.8
572.25665	2.5
583.25031	1.1
601.26489	23.2
602.26379	5.1
603.28198	13.4
604.29041	1.5
629.25635	1.1
643.27679	15.0
644.27771	2.5
658.30219	4.5
658.38983	1.1
661.28442	11.2
662.28815	2.8
721.31659	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	0.6
57.03462	2.5
59.01379	24.4
61.98831	7.5
69.03466	1.4
71.01379	14.6
71.05054	0.6
72.99306	10.1
73.02974	1.8
74.99107	0.5
75.00910	1.3
79.95733	0.7
80.96548	1.1
81.03471	1.0
83.01417	1.1
83.05064	2.0
84.02168	19.3
85.02947	14.5
87.00874	36.8
87.04565	0.6
88.98863	0.8
89.02432	4.3
95.01398	5.5
95.05053	1.1
96.96011	3.3
97.06608	0.8
98.99142	0.6
99.00890	1.4
99.04520	7.3
101.02437	3.6
103.04087	0.8
107.05058	0.9
109.02964	0.6
109.06624	1.1
110.00106	1.1
111.00941	0.7
111.04561	0.7
112.01722	1.9
113.02448	29.6
116.92864	1.0
117.84669	0.5
119.03506	0.7
120.99704	1.2
121.02950	0.7
121.06644	0.8
123.08192	0.8
125.02500	1.5
135.04576	1.8
137.06117	1.2
139.00494	0.6
143.03555	2.0
147.08202	0.8
149.06177	0.7
161.04564	6.7
163.11322	0.7
167.07152	1.0
171.10300	5.9
181.12392	1.0
197.11841	2.4
199.09718	0.8
207.10316	2.0
209.11812	8.7
219.10291	0.6
225.11282	3.4
227.12909	1.2
243.12393	0.8
253.09381	1.4
259.13538	0.8
277.14307	3.4
278.15225	7.3
279.15698	0.7
279.21030	0.9
334.33209	0.7
348.07135	0.6
381.24518	0.8
383.21698	0.8
385.23898	0.8
411.25464	2.2
429.26440	2.2
437.23868	0.6
441.26340	0.9
443.24463	0.9
455.24423	2.2
459.27737	0.8
469.25891	2.0
473.25381	12.1
474.25555	1.1
485.25330	0.8
487.19785	1.0
487.26956	11.0
488.27371	1.4
489.21176	2.6
497.25836	2.0
503.22992	0.8
515.26495	86.2
516.19012	0.7
516.26776	12.7
519.21906	0.8
529.19690	0.7
529.28113	46.2
530.28418	6.4
557.27527	100.0
558.27924	14.7
559.25470	1.5
569.27533	1.6
571.25525	2.6
587.28491	8.1
588.29309	0.9
601.26526	6.4
603.28058	2.9
617.30096	2.8
631.28845	0.8
643.27753	2.8
661.29059	2.0
667.27899	0.8
677.31982	1.7
703.31787	2.2
721.30927	7.3
722.30963	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15948	0.4
59.01380	100.0
60.01718	1.1
61.98832	9.2
65.57839	0.5
69.03442	0.6
71.01389	5.8
71.52515	0.5
72.99310	3.6
78.95909	1.3
81.03455	0.6
83.01409	0.4
83.05023	2.1
84.02189	0.5
85.02950	1.3
88.98829	2.3
89.02435	1.3
91.00372	0.9
93.03455	0.4
97.02967	1.6
108.02205	0.4
109.02301	0.4
109.02979	1.4
109.06606	1.1
111.00858	0.5
111.04539	0.6
119.05050	0.5
121.02958	89.7
122.03278	2.2
123.04524	1.1
133.06596	0.5
144.61200	0.4
145.06612	0.5
147.04524	9.7
158.69189	0.4
163.11302	0.7
171.10298	0.9
179.92146	0.4
185.09698	0.6
189.09244	0.8
197.09825	0.5
201.11316	0.5
203.07072	0.7
207.10265	1.8
209.11824	5.5
211.20920	0.4
213.09108	0.7
225.11343	1.6
227.12946	0.5
241.08696	0.5
241.12389	0.6
245.11830	1.5
253.09247	0.5
273.11292	0.7
274.11969	0.6
284.84116	0.4
435.21823	1.0
441.22754	0.6
453.22623	0.5
461.20212	0.5
469.22354	0.6
531.24091	1.0
549.24725	1.1
557.25232	1.8
573.24750	0.7
575.26331	0.8
582.86511	0.4
587.26306	0.5
591.26050	14.4
592.25977	2.9
599.26617	0.9
617.27631	14.6
617.37683	1.0
618.27765	2.5
629.27515	3.5
630.27582	0.7
635.28534	1.0
645.24744	0.5
661.26581	1.3
679.27234	3.7
680.27216	0.9
689.26886	2.2
721.29535	12.3
721.41919	0.6
722.30121	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62100	0.3
57.03441	0.4
57.66022	0.3
59.01379	100.0
60.01711	1.2
61.98831	9.1
63.79693	0.2
67.05679	0.3
69.03458	0.4
69.41675	0.3
71.01392	1.0
71.52764	0.4
78.95909	0.5
81.03471	0.3
83.05013	1.3
85.02950	1.5
93.03462	0.6
95.04996	0.3
97.02966	1.6
99.00882	0.3
99.04526	0.9
109.02941	0.9
109.06602	0.9
111.00925	0.3
111.04498	0.8
116.08263	0.3
121.02956	72.5
121.81063	0.2
122.03266	2.7
124.50760	0.3
131.07092	0.3
133.06622	0.4
134.88713	0.3
137.02394	0.3
147.04581	0.5
157.06619	0.3
159.08142	0.3
175.07574	0.3
176.62595	0.3
203.07092	0.4
207.10243	0.4
209.11795	0.6
220.74664	0.3
241.12199	0.4
309.14944	0.3
393.16415	0.3
400.59503	0.3
409.19827	0.6
419.18655	0.4
427.21463	0.4
435.21552	1.0
488.21918	0.4
531.24066	0.6
549.24646	1.3
550.24695	0.3
557.25745	1.6
573.25195	0.7
575.26184	1.0
577.24646	0.3
591.26007	8.5
592.26581	2.3
593.23846	1.6
594.24036	0.3
599.26508	0.6
601.24463	1.0
617.27472	8.8
618.27533	2.0
619.25330	5.5
620.25500	1.3
635.27191	0.5
637.26501	2.3
661.26563	1.5
679.27582	5.1
680.27325	1.4
721.28577	3.6
722.27496	0.6
722.38202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.2
59.01379	5.5
60.01678	0.1
60.99299	0.5
61.98830	100.0
62.98542	0.2
63.46382	0.2
69.40354	0.1
69.63303	1.0
71.01393	0.7
72.99300	0.3
73.02963	0.1
75.00885	0.2
80.91700	0.3
80.96554	0.2
83.01431	0.2
83.05058	0.2
84.02178	0.2
85.02969	1.1
87.00860	0.3
88.98814	2.1
89.02429	0.3
90.24395	0.1
93.76632	0.1
94.00341	0.2
95.75541	0.2
96.96045	0.7
98.95571	0.2
99.04514	1.5
99.92576	0.5
100.92593	0.2
101.02438	0.4
102.94543	0.2
113.02468	0.3
115.92110	0.3
116.92886	0.6
117.92830	0.3
121.02978	1.4
123.04552	0.2
147.04532	0.6
148.04921	0.2
152.42905	0.2
171.10292	0.9
197.11841	1.3
198.12183	0.4
209.11847	2.0
210.12173	0.5
227.12843	0.3
253.09380	0.2
265.09290	0.2
283.23700	0.1
336.55331	0.2
457.26364	0.4
458.72095	0.2
471.28000	0.2
489.21152	0.2
499.26984	4.1
513.28699	0.6
541.28186	0.2
558.27625	0.2
631.28113	0.3
657.29248	0.6
661.29297	0.2
688.32404	1.4
720.30341	1.2
721.32312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.1
59.01378	3.7
61.98829	100.0
62.98532	0.2
66.42946	0.1
71.01378	0.6
76.15930	0.1
78.95927	0.2
85.02943	0.1
93.03502	0.1
96.96023	0.3
96.96956	0.1
99.00850	0.1
99.04526	0.1
101.06065	0.5
101.20495	0.1
102.06426	0.2
109.02941	0.1
121.02956	3.2
147.04518	0.9
171.10326	0.1
199.95389	0.1
207.10236	0.2
209.11816	0.5
221.04129	0.1
225.11317	0.1
253.09445	0.1
255.23355	0.1
286.82071	0.1
396.33032	0.1
468.26761	0.1
591.26300	0.6
617.27570	0.5
629.27838	0.3
679.27539	0.2
689.27551	0.1
714.00842	0.1
721.29492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
59.23081	0.1
61.98829	100.0
62.98529	0.2
71.01398	0.6
71.05033	0.2
75.00849	0.2
83.05041	0.4
85.02962	0.4
87.00891	0.2
88.98812	0.5
89.02452	0.3
96.96015	0.5
98.20728	0.3
99.04511	0.8
101.02425	0.3
116.92845	0.2
121.02950	0.3
121.38727	0.1
147.04549	0.4
151.11258	0.1
171.10327	0.4
197.11816	2.7
198.12166	1.2
209.11838	1.9
210.12238	0.6
211.91449	0.1
225.11392	0.2
227.12834	0.2
241.10889	0.2
253.09258	0.2
503.86679	0.2
657.28937	0.2
687.32458	0.7
688.32629	3.7
689.33673	0.5
720.35608	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61012	0.2
56.41941	0.1
59.01380	2.5
61.98830	100.0
69.67072	0.5
69.67481	0.2
71.01399	0.4
73.02924	0.2
75.00883	0.2
78.95911	0.3
85.02969	0.4
88.98799	0.2
96.93040	0.1
96.96040	0.2
99.04522	0.5
101.06084	0.2
116.92891	0.6
117.01939	0.2
117.92897	0.2
121.02960	2.2
147.04521	2.4
148.04869	0.4
209.11839	0.3
211.13322	0.2
305.64975	0.1
311.51349	0.2
366.26877	0.2
453.74680	0.2
569.27966	0.2
577.24329	0.2
619.25665	0.2
689.28143	0.6
720.31061	0.3
721.29883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	43.4
60.01720	1.8
60.01988	0.3
61.01805	0.3
61.98829	100.0
71.01385	0.7
71.52550	0.4
78.68459	0.3
78.95912	0.9
92.82278	0.3
93.03465	0.4
96.96013	0.5
99.04515	0.6
106.85912	0.3
121.02952	0.4
124.57623	0.3
135.46335	0.4
137.02446	0.6
139.00409	0.4
147.04530	1.4
209.11842	0.8
229.49467	0.3
253.21913	0.4
255.23436	0.9
277.38501	0.3
511.16382	0.5
512.16345	0.5
513.16315	0.7
514.16370	1.7
573.17786	1.1
587.26398	1.1
720.21637	25.2
721.21783	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	720.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64912	0.5
55.01876	0.7
57.03440	2.2
58.00578	0.8
59.01380	49.4
60.01715	1.1
61.98814	0.9
66.03481	2.3
69.42026	3.5
71.01381	15.4
72.01685	0.6
72.99318	0.6
73.02948	12.9
83.01395	4.3
85.02950	13.6
87.00898	0.9
88.04062	3.8
89.02453	6.0
95.01362	0.7
96.96004	3.1
98.19902	1.0
99.04517	1.0
101.02443	12.7
102.02782	0.5
103.04014	19.3
113.02446	6.6
115.00375	0.6
117.05657	0.7
119.03495	2.2
124.04045	41.9
125.02456	1.6
125.04391	1.0
131.03506	2.1
132.03038	0.6
135.11794	0.6
138.05603	26.1
139.05957	0.6
143.03476	1.8
149.04536	3.4
151.00343	0.7
161.04552	4.8
166.05072	5.4
181.93752	0.6
193.01187	0.6
203.05630	0.6
205.12437	0.5
221.06734	1.4
256.11862	5.2
300.02554	0.7
303.14499	0.7
372.12976	100.0
373.13321	8.3
395.07800	1.5
676.35120	2.9
720.26031	1.3
721.19818	1.7
721.30176	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
59.01379	33.7
59.30972	0.8
61.98828	51.8
68.99566	1.5
69.03463	1.1
71.01383	11.4
72.99295	1.2
73.02954	3.9
75.00887	0.9
79.12598	0.8
81.03462	2.5
83.01384	1.7
83.05025	7.8
84.02161	1.5
85.02946	6.2
87.00895	3.6
89.02454	6.1
95.01398	1.4
95.05037	1.1
96.95996	4.9
97.02936	1.0
97.06627	1.6
99.00877	1.4
99.04511	6.0
101.02440	9.0
103.04038	1.0
105.01886	0.9
111.04533	1.6
112.98622	1.1
113.02432	4.1
116.92841	1.9
119.03513	1.6
121.02958	9.8
123.08175	1.1
125.06070	1.2
130.85345	0.9
135.08147	1.3
145.08705	1.6
147.04568	2.3
147.08063	0.8
149.06065	0.8
151.11273	1.9
153.09219	1.1
153.12849	1.8
161.04555	3.1
163.11325	5.3
165.12914	3.9
169.10881	1.9
169.12337	37.0
170.12706	1.8
171.10303	2.9
179.05682	1.2
179.10748	1.7
180.78006	0.8
181.12350	1.1
187.11250	1.2
191.10803	1.6
197.11816	60.1
198.12173	3.3
205.08569	0.9
206.08391	0.8
209.11815	100.0
210.12201	5.5
211.13426	1.7
223.09726	1.7
225.11166	1.3
227.12849	7.2
235.08209	1.1
253.09274	6.0
265.09439	1.6
307.14166	1.2
424.41006	0.9
433.21210	1.1
513.25177	1.5
515.26910	1.1
521.25378	3.8
522.26111	1.1
539.26331	2.4
581.27747	3.7
582.28076	1.4
599.28113	1.1
610.57208	0.8
623.28998	1.8
641.29736	2.3
659.30511	1.8
687.32288	65.3
688.32697	10.6
719.35034	81.2
720.35614	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	719.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.7
57.03437	2.1
59.01376	20.9
60.57441	0.8
61.98827	70.2
69.03451	5.3
69.92082	0.7
71.01378	8.0
71.04997	2.1
72.99310	1.6
73.02952	2.5
75.00856	0.9
80.02650	1.1
80.96502	1.0
81.03455	2.2
81.58541	0.6
83.01366	1.2
83.05011	7.3
84.02185	0.9
85.02950	4.2
87.00869	2.0
88.98802	1.7
89.02428	4.2
95.00356	0.7
95.04996	1.0
96.96021	7.8
97.02956	1.3
98.20149	4.4
99.00826	0.9
99.04517	5.4
99.92503	1.0
101.02434	6.2
103.04000	0.9
105.01917	1.8
113.02429	2.5
116.92865	4.2
123.08147	1.4
125.06099	0.9
125.09708	2.9
135.08160	1.8
149.09741	0.8
151.11241	3.7
153.12837	2.3
161.04567	1.5
161.09724	5.4
163.11250	4.9
165.12778	2.5
179.10754	7.0
180.32253	0.7
181.12361	1.5
197.11826	75.5
198.12157	3.7
209.11826	68.2
210.12166	3.6
223.09810	1.0
227.12772	4.4
241.10771	4.5
253.09320	3.5
265.09256	1.0
422.88638	0.7
438.53970	0.7
477.19919	2.1
478.16284	0.8
599.28625	0.8
629.25842	2.3
641.29974	1.2
687.32281	100.0
688.32574	16.3
719.35138	30.7
720.35669	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	719.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16210	1.4
57.03466	1.6
59.01380	54.4
61.98829	100.0
69.19018	2.3
69.19420	12.6
71.01376	5.5
72.70303	1.4
73.02953	4.4
75.00855	1.4
81.03426	2.3
83.05016	2.2
85.02946	5.8
88.38488	1.4
88.98807	4.0
99.04522	43.0
99.92637	2.4
100.12956	1.7
101.02471	1.4
101.06080	5.3
105.01900	1.6
107.05047	2.1
109.06580	2.0
111.04514	4.8
113.13352	1.3
116.92854	17.7
117.01913	3.8
121.02946	4.7
125.02548	1.4
127.03979	2.9
133.06642	2.7
135.04520	2.7
137.06100	1.6
147.04480	4.1
151.04034	2.0
151.48305	1.6
167.07120	2.0
169.05045	6.4
171.10252	1.8
189.09172	3.2
191.10703	4.6
197.09961	1.5
209.11780	3.5
213.09138	1.4
217.08708	2.2
246.14821	1.4
273.11282	1.7
407.18161	1.4
455.24814	1.9
469.18890	1.7
470.24997	1.9
485.21878	2.6
495.19595	1.7
513.21106	6.8
514.21344	1.7
527.22925	6.2
533.46759	1.7
539.26178	2.1
545.24017	3.4
553.24310	2.4
559.28882	1.7
567.26471	1.6
571.25006	2.4
585.27136	3.4
594.29584	1.6
595.25775	7.3
627.28021	39.5
628.28339	8.7
645.28864	3.5
677.32007	1.8
687.30298	4.0
690.13873	1.8
705.31189	2.3
719.32880	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	719.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
59.01380	100.0
60.01694	1.8
60.40085	1.3
61.98831	80.8
68.90949	1.4
69.16899	7.2
69.17323	6.7
71.01375	5.3
71.54012	1.3
72.99309	5.9
73.02959	2.1
75.00879	2.0
79.05519	3.9
80.96530	2.7
81.03445	1.9
83.05022	2.6
85.02942	5.9
85.97567	1.6
87.00874	3.3
87.04546	2.2
88.98804	6.2
89.02489	2.3
94.24168	1.4
94.33006	1.3
95.05023	1.5
96.96008	2.3
98.19944	3.1
99.00884	1.6
99.04522	61.4
101.02426	2.6
103.93546	1.3
105.07141	1.6
111.04540	4.2
112.39184	1.4
121.02940	6.2
127.04003	2.5
141.05592	1.4
147.04564	7.2
147.08128	2.2
159.08199	2.0
161.09624	1.8
169.05048	4.8
171.08130	1.5
171.10297	1.9
190.29074	1.6
191.10736	1.5
205.15306	1.5
209.11807	3.2
216.65482	1.4
227.73582	1.6
239.10640	1.5
304.62906	1.4
329.34796	1.5
347.22247	8.1
373.20145	4.1
429.26324	2.6
455.24435	9.6
473.25360	30.1
474.25684	4.0
497.24979	4.5
498.25076	2.6
513.21210	2.3
515.26404	12.2
527.25867	5.3
539.26581	4.9
545.23743	2.4
569.27374	3.4
581.27441	3.8
582.27771	1.6
583.42773	1.6
595.25519	5.7
611.28510	2.0
627.27911	19.9
628.28461	3.9
635.30176	2.5
641.30249	3.9
645.28387	2.5
655.28094	1.7
677.31732	42.5
678.32098	5.4
687.30151	4.9
719.32953	48.1
720.33575	7.8
729.14600	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	719.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67110	0.3
59.01381	100.0
59.32914	0.3
60.01718	1.1
61.98831	53.8
69.50219	1.2
69.50652	1.1
71.01395	1.0
78.95893	0.6
93.03448	0.8
98.20055	1.0
98.20633	0.6
121.02975	0.4
137.02357	1.4
147.04437	1.1
152.99503	0.4
167.89255	0.3
171.10194	0.6
200.14565	0.4
207.10158	0.5
209.11623	1.5
227.12590	0.4
291.19485	0.5
498.13254	0.6
499.13712	0.6
511.15012	0.9
512.15411	1.1
513.16351	4.8
514.15747	0.9
571.16437	1.0
572.17889	3.7
573.16937	1.4
627.17505	0.7
628.18085	0.4
659.20557	1.4
719.24469	6.5
720.21680	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	719.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36573	0.8
53.55793	0.7
55.39151	0.7
59.01377	16.4
61.98831	100.0
63.82785	0.7
65.38885	0.7
68.26138	0.7
69.03466	0.8
71.01382	1.8
71.52787	1.1
72.99311	1.6
78.41236	0.8
78.95917	1.1
80.91685	0.8
80.96561	0.7
81.03424	1.0
83.05016	1.0
84.78281	0.7
85.02947	5.0
87.00907	0.8
87.04509	4.2
88.98811	1.1
93.03505	1.5
96.96020	6.0
96.96981	0.8
99.00884	2.2
99.04524	25.6
99.05190	1.3
99.92601	0.9
100.04922	1.1
101.02463	2.6
101.06108	5.7
102.06432	0.9
109.02934	1.0
111.04544	3.2
116.92868	7.6
117.01955	1.3
119.05077	0.9
121.02959	89.4
122.03278	3.6
132.78534	0.8
133.06592	1.9
136.10617	0.7
137.06155	0.8
141.13203	0.7
145.63216	0.8
147.04517	8.3
152.99640	1.1
158.03752	0.8
161.09764	1.3
173.09740	1.0
193.05174	0.9
209.11835	1.4
211.13464	1.0
223.10100	1.1
255.23267	1.2
257.12961	1.5
323.14859	1.0
351.43967	0.8
385.03537	0.8
411.21545	1.0
483.27679	1.3
493.19769	1.6
497.24701	0.9
505.26126	1.0
515.24829	2.8
533.25397	4.8
534.27032	0.9
535.27081	2.9
551.26752	4.0
555.25439	1.0
575.26489	2.0
597.27661	2.6
637.27972	0.9
639.29730	2.4
641.33484	1.3
657.30774	18.5
658.31451	3.4
675.31335	3.2
684.34631	1.4
687.27429	1.0
701.29926	1.2
719.30402	13.0
720.31250	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	719.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37445	0.6
57.03437	0.6
59.01379	18.7
61.98830	97.7
62.63252	0.7
68.99568	1.0
69.03432	0.6
71.01381	2.8
71.53883	1.0
72.99310	2.0
75.00859	0.8
78.95918	1.4
80.91680	1.2
83.05028	1.5
85.02961	5.6
87.04516	9.2
93.03458	1.4
96.96019	1.5
99.00887	2.1
99.04522	21.4
99.92577	4.9
101.02462	3.1
101.06095	2.5
109.02940	1.2
111.04537	2.1
112.98536	0.9
116.92862	31.1
117.01936	2.5
117.92850	1.9
121.02956	100.0
122.03292	2.8
133.06636	1.1
147.04527	12.0
148.04828	0.7
149.06049	1.3
158.03725	1.3
161.05983	0.7
171.10291	0.7
173.09712	1.0
175.24957	0.7
193.05046	1.5
209.11865	0.8
229.12260	0.6
265.12363	0.8
292.93109	0.6
342.69617	0.7
448.05499	0.7
497.23474	1.3
515.24261	1.9
533.25330	5.5
534.25873	1.0
535.26898	3.0
537.24744	0.8
551.26581	7.1
552.26862	1.1
557.24738	1.1
573.62555	0.8
575.26617	1.9
593.26801	0.8
597.26965	2.0
611.29877	1.0
637.26917	1.5
639.29755	2.9
640.30634	1.0
641.32666	1.3
657.30707	20.4
658.30927	3.7
659.27008	1.2
675.29913	1.5
719.29852	15.1
720.30731	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	719.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83790	0.1
59.01383	1.3
61.98814	0.2
62.03541	0.1
62.17540	0.1
71.01379	0.6
71.54051	0.2
72.39050	0.1
73.02932	0.2
79.95728	4.6
83.01399	0.2
83.80022	0.1
84.56958	0.2
85.02946	0.5
87.00871	0.2
89.02449	0.3
94.35561	0.1
96.96012	78.8
97.95953	0.2
98.95615	0.9
98.96190	0.2
101.02442	0.4
113.02490	0.2
122.97536	0.2
125.02451	0.2
130.30565	0.2
136.99142	0.3
148.59938	0.1
150.03270	0.2
163.02144	0.1
167.03586	0.1
174.13963	0.2
215.12971	0.2
257.96814	0.2
284.65268	0.1
289.11139	100.0
290.11465	8.3
291.10773	1.3
321.62473	0.2
383.11911	0.2
675.35010	0.2
676.35059	0.4
683.38702	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24562	0.8
57.03447	4.6
58.00573	1.3
59.01380	30.3
59.45456	0.9
61.98829	9.5
69.03454	1.0
70.36301	1.1
70.54380	2.6
71.01383	26.0
71.05041	0.9
72.99305	2.6
73.02936	4.0
75.00857	1.7
76.66972	0.8
83.01378	3.4
83.05010	1.2
85.02959	21.3
87.00855	2.5
87.04489	1.0
89.02446	14.7
90.98611	1.0
95.01367	1.5
96.96015	13.9
97.02935	1.9
99.00844	0.9
99.04498	2.3
99.08099	1.0
101.02434	13.1
101.92913	1.1
103.04015	44.6
111.04512	1.6
113.02464	7.4
115.92050	0.9
116.92820	3.3
119.03493	4.4
121.02950	1.2
123.08122	1.0
125.02430	1.8
135.11784	2.0
143.03432	1.2
145.05054	1.5
152.00888	0.9
157.05002	1.2
159.08208	1.0
159.11711	1.4
161.04520	1.2
161.09724	11.6
175.11282	1.3
179.10794	9.3
181.65015	0.9
187.07695	1.3
193.12361	1.1
203.10716	3.1
205.08611	1.5
209.11769	3.0
221.11789	2.4
223.09732	2.4
246.49245	1.0
247.08078	2.9
265.09238	37.8
266.09619	1.2
409.18686	1.0
427.19742	9.0
453.17386	3.2
453.23541	1.4
471.18716	7.7
513.19519	1.7
573.21753	3.3
585.32526	1.4
615.22394	1.0
633.23926	7.9
675.32172	7.5
676.32007	1.3
701.25018	1.1
719.27533	100.0
720.27704	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72698	0.7
55.58074	0.7
57.03433	1.2
59.01380	36.4
60.57389	0.6
61.98830	61.1
62.75782	0.7
62.98549	1.2
68.40218	0.7
70.85863	0.8
71.01387	5.3
71.61520	0.7
72.99292	0.8
73.02923	1.7
79.66698	0.7
83.01366	0.9
83.05022	3.2
85.02950	8.6
88.98812	1.3
89.02439	1.5
93.03416	0.9
95.05050	0.9
95.83022	0.7
97.77008	0.8
99.00876	1.0
99.04494	3.6
101.02439	3.1
103.04015	8.8
103.05528	3.5
113.02440	2.0
119.05046	3.0
121.02959	18.8
130.04201	0.7
131.05016	1.3
133.06607	1.7
135.04529	1.1
145.06587	1.3
147.04523	100.0
148.04881	4.1
159.08116	0.7
161.04533	1.5
173.05978	0.9
187.07642	1.0
187.11296	1.1
213.09180	1.0
246.97688	0.8
265.09213	5.0
317.15454	2.0
417.48871	0.7
442.06192	0.9
443.35016	0.8
464.76175	0.8
657.29175	4.0
659.29144	1.2
675.28076	20.1
676.28436	3.9
712.10675	0.8
714.73993	0.9
719.27100	67.3
719.37122	22.1
720.26715	15.9
720.39691	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	719.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73684	0.5
57.03446	1.4
59.01380	37.4
60.72334	0.5
61.98832	100.0
71.01388	1.7
72.99314	0.6
73.02957	0.8
75.00848	0.6
78.95887	0.6
79.96062	0.6
83.05034	1.8
83.60831	0.4
85.02946	5.7
87.04526	1.1
98.00103	1.2
98.20669	1.5
99.00896	1.0
99.04509	5.3
101.02434	4.2
103.00370	0.6
103.05552	1.1
105.07156	0.5
107.05031	1.1
110.72333	0.5
111.00895	1.9
111.04536	1.2
119.05015	2.1
121.02946	4.1
133.06625	0.7
135.04483	1.5
137.06097	0.7
145.06625	0.8
147.04526	58.2
148.04858	2.8
149.06052	0.8
159.08153	0.7
169.54240	0.5
171.04552	0.5
187.11273	0.6
189.09151	0.7
209.11798	2.0
211.13409	1.0
213.09256	0.8
220.02110	0.6
233.08138	0.6
254.65811	0.5
303.32831	0.6
342.11530	0.6
425.38544	0.6
458.70981	0.5
485.21283	0.7
571.21747	0.9
585.27509	0.7
614.65393	0.5
629.26678	0.7
657.28540	0.7
675.27887	2.2
683.29089	0.7
687.21979	0.8
701.27905	1.0
719.27020	70.2
720.27533	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	719.2003
Annotation	Chelidimerine
Peak:m/z	Relative Intensity
53.38595	0.5
53.46213	0.4
59.01378	9.6
61.98829	29.2
65.54865	0.4
71.01383	0.5
72.99300	1.5
73.02978	0.7
79.95743	1.9
80.96542	0.6
81.95311	0.6
84.72658	0.4
87.00895	1.0
96.96010	42.5
97.95955	1.0
98.95595	20.7
98.96416	2.4
99.04502	1.5
99.92583	39.7
100.92574	1.5
100.93375	1.4
113.89015	0.4
115.91238	0.6
115.92074	17.8
116.92860	100.0
117.92878	4.7
121.02974	0.5
126.72832	0.5
156.92288	1.0
158.93867	2.8
169.93127	2.5
174.93352	0.8
184.91838	2.4
209.11812	0.7
252.08340	0.5
290.22562	0.5
473.28204	0.8
553.18835	0.7
553.71643	0.5
571.19519	0.5
615.19086	1.3
616.18835	0.5
633.20294	2.3
657.19366	1.1
657.29047	1.7
659.18030	1.7
675.21143	4.9
676.21143	0.8
701.18866	3.6
702.19745	0.8
719.20044	35.0
719.29639	1.3
720.20245	9.2
720.31891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18356	1.5
59.01377	5.0
68.01052	1.5
70.18637	4.7
71.01385	6.2
74.98308	1.5
76.65630	1.3
79.57796	1.4
80.40691	1.3
89.02451	8.2
99.95866	1.5
101.02442	2.8
113.02444	3.2
119.03528	2.9
132.01379	1.4
146.44521	1.6
179.05603	2.9
179.30630	1.5
181.08783	1.5
196.36693	1.6
215.03317	5.3
265.09360	2.0
300.75708	1.5
341.10870	17.8
342.11044	1.7
360.13754	1.5
377.08530	100.0
378.08853	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	718.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01379	58.8
60.01698	0.9
61.98834	6.2
69.03456	1.1
71.01382	2.3
72.99302	4.6
81.03460	9.7
83.01400	1.6
83.05046	4.4
83.05573	0.7
83.70157	0.8
85.02952	3.1
86.02496	1.3
87.00336	1.7
87.00873	32.8
89.02427	1.7
91.77042	0.8
92.77842	0.8
96.08172	1.4
96.96001	2.9
97.02952	2.4
99.00194	0.8
99.04524	1.9
101.02434	2.2
103.04021	3.6
108.02173	9.2
109.02953	100.0
110.03285	3.4
111.03284	2.4
111.04533	1.2
112.04022	5.5
119.06213	0.7
120.99650	2.6
127.04005	1.6
135.00888	2.2
140.07137	6.5
151.11353	0.9
153.01944	5.5
161.09743	1.9
184.06146	17.0
209.71085	0.8
229.54123	0.9
259.13367	0.9
265.09137	3.7
277.14413	2.6
278.15222	7.0
297.22079	1.2
381.24207	1.2
399.25208	0.9
411.25464	3.3
429.26419	28.1
429.32434	1.4
430.26846	3.4
433.07648	0.9
471.27298	2.2
473.25455	2.5
527.30072	1.4
539.30225	15.1
540.30499	2.6
571.29694	0.8
583.29028	37.4
584.29224	7.1
614.33282	75.8
615.33453	15.5
627.28088	6.6
628.28381	1.0
658.32404	15.4
659.32422	4.3
676.33234	2.7
687.30438	2.3
718.34479	36.6
719.27008	5.3
719.35431	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	718.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10728	0.1
56.55168	0.1
59.01378	2.8
61.98829	100.0
64.42979	0.1
66.27178	0.1
69.03461	0.2
71.01384	0.4
72.24311	0.2
72.99321	0.2
73.02948	0.3
73.47948	0.1
80.12004	0.2
85.02956	2.9
87.00879	0.2
87.04509	1.2
87.42342	0.2
87.43002	0.2
88.25867	0.1
88.98808	0.2
93.03483	0.2
94.98109	0.2
95.05001	0.2
99.00893	0.6
99.04520	5.9
100.04882	0.4
101.06087	1.9
107.05013	0.2
111.04547	0.2
121.02950	2.5
123.04540	0.3
137.06026	0.2
147.04514	2.4
148.04926	0.5
160.05247	0.2
161.04561	0.2
161.23195	0.1
173.09666	0.2
193.05136	0.3
194.05785	0.2
209.11829	0.2
211.13396	0.2
223.09799	0.2
239.16663	0.2
258.62122	0.2
392.96524	0.1
403.30795	0.2
427.21420	0.4
455.33810	0.2
541.28131	0.2
579.29846	0.4
611.32300	0.6
655.31281	5.0
655.41718	0.3
656.31433	1.3
657.30890	0.2
686.24823	0.3
718.30304	0.7
719.27838	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01379	58.8
60.01698	0.9
61.98834	6.2
69.03456	1.1
71.01382	2.3
72.99302	4.6
81.03460	9.7
83.01400	1.6
83.05046	4.4
83.05573	0.7
83.70157	0.8
85.02952	3.1
86.02496	1.3
87.00336	1.7
87.00873	32.8
89.02427	1.7
91.77042	0.8
92.77842	0.8
96.08172	1.4
96.96001	2.9
97.02952	2.4
99.00194	0.8
99.04524	1.9
101.02434	2.2
103.04021	3.6
108.02173	9.2
109.02953	100.0
110.03285	3.4
111.03284	2.4
111.04533	1.2
112.04022	5.5
119.06213	0.7
120.99650	2.6
127.04005	1.6
135.00888	2.2
140.07137	6.5
151.11353	0.9
153.01944	5.5
161.09743	1.9
184.06146	17.0
209.71085	0.8
229.54123	0.9
259.13367	0.9
265.09137	3.7
277.14413	2.6
278.15222	7.0
297.22079	1.2
381.24207	1.2
399.25208	0.9
411.25464	3.3
429.26419	28.1
429.32434	1.4
430.26846	3.4
433.07648	0.9
471.27298	2.2
473.25455	2.5
527.30072	1.4
539.30225	15.1
540.30499	2.6
571.29694	0.8
583.29028	37.4
584.29224	7.1
614.33282	75.8
615.33453	15.5
627.28088	6.6
628.28381	1.0
658.32404	15.4
659.32422	4.3
676.33234	2.7
687.30438	2.3
718.34479	36.6
719.27008	5.3
719.35431	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	718.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59407	0.1
59.01379	1.8
60.99311	0.7
61.98829	100.0
62.98531	0.2
71.01400	0.2
73.02956	0.1
75.00892	0.1
77.97646	0.1
78.95931	0.1
85.02935	0.2
87.00896	0.2
88.98806	3.6
89.02428	0.1
89.07184	0.1
96.96041	0.3
98.02457	0.1
99.00883	0.1
99.04512	0.8
121.02940	0.5
129.16803	0.1
139.04143	0.1
146.80882	0.1
147.04524	1.0
152.20129	0.1
156.26569	0.1
167.63924	0.1
169.72070	0.1
195.32718	0.1
209.11855	0.2
312.44116	0.1
392.37323	0.1
437.66141	0.1
568.25513	0.1
581.27399	0.1
593.27527	0.1
650.23132	0.2
655.27710	0.3
674.40845	0.1
677.31268	0.4
682.32458	0.2
686.30328	0.2
687.30457	0.1
718.32703	0.3
719.32623	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38025	0.3
59.01376	21.6
60.01714	2.6
61.01801	2.0
61.98829	100.0
63.99274	0.3
71.00304	0.6
75.00881	0.9
78.48116	0.3
78.95903	0.6
79.57571	0.3
85.02953	0.5
88.00384	0.3
99.00889	0.5
99.04514	0.4
101.06071	3.7
105.07120	0.3
107.93765	0.4
117.23212	0.3
121.02973	0.5
147.04498	2.4
148.04875	0.5
152.99605	0.4
161.06119	0.6
209.11874	0.4
279.89758	0.4
614.30371	0.4
616.30829	0.6
642.31873	1.7
674.34515	1.2
718.32819	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	718.272
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66472	0.1
59.01381	1.4
60.99315	0.4
61.98831	100.0
62.98530	0.2
63.99261	0.1
64.04604	0.1
67.23817	0.1
68.99831	0.1
71.01395	0.2
72.99327	0.1
73.02953	0.1
85.02980	0.3
87.00876	0.1
88.98808	2.4
89.02445	0.2
96.96004	0.3
98.02500	0.1
99.00916	0.1
99.04522	0.5
101.02429	0.1
116.92868	0.2
121.02972	0.6
147.04507	1.1
148.04817	0.1
193.05299	0.1
209.11913	0.1
363.83694	0.1
441.99939	0.1
492.19647	0.1
639.28632	0.2
649.23169	0.2
650.23346	0.6
655.27661	0.2
677.32306	0.3
686.30322	0.2
718.32532	0.3
719.33221	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
58.49126	0.2
59.01377	3.0
61.98829	100.0
62.98544	0.2
66.30217	0.2
69.03436	0.2
69.17359	1.6
70.28201	0.2
71.01380	1.1
72.99322	0.6
73.02927	0.8
78.39571	0.1
83.01388	0.3
83.05025	0.2
85.02977	0.7
87.00885	0.3
93.03450	0.3
96.96006	0.2
97.02955	0.2
98.20664	0.3
99.00915	0.8
99.01466	0.2
99.04520	1.7
101.02438	4.0
109.02952	0.2
109.06650	0.2
113.02424	0.2
117.05571	0.2
119.05006	0.3
121.02953	10.1
121.06573	0.2
123.04539	0.3
125.02472	0.2
127.04021	0.3
133.06572	0.2
135.04524	0.3
147.04517	3.9
149.04913	0.1
149.06070	0.3
151.04037	0.2
176.86465	0.1
193.05121	0.5
205.08661	0.2
209.11877	0.5
346.68616	0.2
349.23822	0.4
391.24838	0.2
399.21964	0.2
455.24454	0.2
471.27576	0.7
473.25873	0.6
513.28595	0.5
515.26349	0.3
519.74030	0.2
633.27332	0.3
658.29822	0.5
674.31042	0.2
677.31415	1.1
686.29388	0.3
701.26501	0.3
718.29926	1.4
719.28577	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	717.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29692	1.8
58.48415	1.5
59.01382	100.0
61.98834	58.7
71.01383	7.6
72.99341	2.9
73.02948	8.2
75.00883	9.6
83.01390	2.0
83.05013	2.7
85.02953	49.8
87.00877	3.6
87.04531	1.5
94.46662	1.5
95.05043	2.1
96.96014	48.3
97.02943	2.6
98.20667	4.2
99.04524	41.9
108.85513	1.5
115.00375	3.1
121.02944	2.2
125.35786	1.4
135.08194	3.9
138.80675	1.5
147.04494	4.5
147.08159	2.4
151.07579	1.8
152.04793	4.3
154.06357	5.8
171.10292	3.0
209.11816	7.9
210.11992	1.7
211.13402	6.1
327.21857	1.9
429.22672	5.7
498.38937	2.0
511.27066	10.5
529.28180	7.8
555.25806	4.3
571.30109	2.5
575.25043	2.4
577.26404	2.6
579.25531	1.8
597.27393	7.5
613.29913	1.7
613.39227	2.5
625.26385	1.9
635.27118	4.7
639.28052	29.2
640.28326	4.2
641.29272	4.4
657.29169	24.5
658.29572	4.6
659.30756	34.3
660.31036	6.0
669.28888	2.2
681.28577	2.5
687.30249	3.3
699.29382	2.4
717.31293	29.0
718.31641	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	717.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.8
61.98831	21.2
71.51896	1.8
71.52369	2.1
72.05179	1.2
82.95429	1.9
84.95145	2.1
107.49067	1.5
159.95619	1.3
255.23335	2.5
287.22018	1.4
340.31494	1.3
393.27576	1.3
445.16727	2.3
459.18024	2.9
460.18921	13.0
461.19449	3.2
473.19757	1.8
474.20605	16.3
475.21222	13.4
476.22015	2.0
519.20392	24.0
520.20435	4.0
533.22015	15.8
534.22614	18.8
535.23199	1.9
561.25165	2.9
620.26434	100.0
621.26740	18.9
717.32983	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00646	1.2
59.01366	4.5
61.98828	14.2
63.58389	1.1
66.25511	1.7
71.01376	6.6
71.04999	3.3
71.53272	2.2
73.02962	1.5
78.83385	1.3
78.95896	2.2
79.52763	1.5
85.02935	1.6
87.00861	1.6
89.02435	2.1
97.02962	2.9
99.00896	10.2
101.02415	4.0
103.85280	1.3
113.02468	1.7
125.09701	4.7
161.04546	2.7
163.11244	5.8
171.10280	3.0
174.04376	1.2
181.12326	8.0
199.13397	9.9
207.10228	19.5
225.11327	30.7
226.11621	1.5
235.08197	1.4
243.12379	4.8
255.23276	71.7
256.23508	4.2
461.19540	1.5
620.26050	3.8
679.58447	1.5
699.43109	3.8
717.44281	100.0
718.44672	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	717.307
Annotation	Cratoxyarborequinone A
Peak:m/z	Relative Intensity
50.10420	0.4
59.01378	2.6
60.40613	0.5
61.98833	5.7
70.67869	0.5
71.07108	1.3
78.95918	0.9
80.08038	0.5
87.82932	0.5
88.76424	0.6
103.05545	1.7
119.05041	2.4
131.07661	0.5
147.04520	100.0
148.04840	5.0
152.99539	0.6
193.49878	0.6
236.90985	0.6
329.15225	0.6
457.96307	0.6
511.80154	0.7
587.26709	0.9
610.94598	0.6
673.32635	0.7
717.30646	48.7
718.31262	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	717.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
57.46867	0.8
59.01376	16.6
61.98830	100.0
67.92320	0.8
71.01385	2.3
72.99297	1.2
73.02945	1.2
75.00863	1.8
83.05027	1.3
85.02950	61.1
95.05046	0.9
96.96021	2.6
98.19896	2.4
98.20607	3.4
99.00907	1.6
99.04519	37.0
100.04842	1.2
101.02499	1.1
101.06081	7.0
105.07123	1.0
107.04984	0.8
111.04514	2.1
119.05041	0.9
121.02953	88.7
122.03323	3.1
123.04475	0.8
131.05048	1.8
133.06638	2.5
135.04547	1.3
147.04506	18.4
147.08270	0.8
148.04843	1.1
149.06122	0.9
156.40421	0.7
159.08147	0.8
161.06099	2.2
161.09703	1.1
171.08121	3.9
173.06238	0.9
173.09746	1.5
175.71019	0.7
183.08105	1.0
209.11882	1.5
211.13484	2.2
213.09241	0.9
215.07123	1.9
223.13483	0.8
272.18515	0.9
277.12329	0.9
473.18369	1.4
491.19138	3.6
495.23642	0.8
505.25809	4.0
527.24603	1.2
531.24060	3.4
532.24530	1.2
549.25330	6.0
551.26868	1.9
555.23840	1.0
573.25024	5.7
591.25958	43.9
592.26343	6.9
629.31622	2.0
641.27722	3.8
654.30750	2.0
655.29681	2.8
673.30103	21.5
673.40796	1.2
674.30676	5.3
685.27686	1.2
699.28552	2.9
717.29089	17.1
718.29590	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	717.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70890	0.2
59.01379	100.0
60.01709	0.9
60.99327	0.3
61.98823	1.1
71.52252	0.3
71.52646	0.3
72.99306	2.7
78.90505	0.2
79.77666	0.3
85.02951	0.4
87.27404	0.2
87.35125	0.2
88.98820	0.8
89.02443	1.2
91.00371	0.5
99.00883	0.3
99.04505	0.5
101.06099	0.5
129.94377	0.2
147.04495	1.1
189.45113	0.3
209.11852	0.4
404.19763	0.2
496.13617	0.2
500.59079	0.3
511.16718	0.6
717.23694	0.4
738.96045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99361	0.9
57.03455	5.4
57.03678	0.9
59.01380	63.4
60.65183	0.9
61.40068	0.9
61.98830	100.0
65.92214	0.9
68.30113	1.0
68.99562	1.9
71.01379	2.9
73.02972	0.9
75.00871	1.5
83.05013	2.3
85.02927	5.2
87.04510	6.5
95.05003	1.1
96.95981	2.0
99.04520	38.1
100.04893	1.5
101.02440	15.2
107.05042	1.3
111.04472	1.1
112.98550	1.3
117.03358	0.9
119.05037	1.4
121.02955	51.5
122.03265	2.8
125.09713	1.6
131.05042	2.2
133.06572	3.2
135.04495	2.6
147.03375	1.6
147.04514	27.5
147.07951	1.1
148.04950	1.3
159.08070	1.0
161.06081	4.8
171.04491	1.5
173.09703	1.8
177.09146	1.5
180.38434	0.9
189.09143	1.4
191.10806	1.2
199.07603	1.1
208.79532	1.1
209.11797	1.4
211.13321	1.7
213.09131	1.6
214.09503	1.1
283.66745	0.9
316.01657	1.1
427.21030	2.9
477.26599	1.1
497.25266	3.2
505.25623	2.5
511.23505	1.1
531.23926	2.6
539.25568	1.5
543.22223	2.9
549.24988	7.1
551.26849	1.5
573.24573	2.1
581.28015	2.3
591.25958	35.4
592.26062	4.5
603.25549	3.0
613.26807	1.8
625.26624	10.7
626.26447	1.6
635.25012	1.8
641.27246	6.9
642.27631	1.8
655.29254	6.6
656.29449	1.2
657.28613	7.0
673.30133	16.5
674.30408	3.0
685.30035	6.1
686.29956	1.6
717.29095	24.3
717.41125	1.9
718.28882	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	717.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.7
59.01380	60.1
61.98832	100.0
63.85218	0.7
68.31550	0.8
70.74494	1.9
71.01394	2.5
73.02947	0.9
75.00866	2.5
78.95921	1.5
83.01385	1.4
83.05022	2.2
85.02943	5.4
87.04514	4.7
96.95998	3.4
97.02953	1.3
99.04524	33.1
100.04848	1.1
101.02442	11.3
107.05018	1.1
111.04562	0.9
121.02957	40.9
122.03243	1.0
123.08144	0.9
131.05055	1.8
133.06567	1.9
135.04491	1.5
145.06610	1.0
146.02165	0.9
147.04514	25.6
147.08275	0.8
148.04893	1.3
149.06065	0.9
157.06526	1.4
161.06088	4.3
169.66219	0.9
171.04584	1.2
171.10320	1.1
173.06177	1.0
173.09705	1.4
177.09238	1.2
187.07646	1.2
187.09677	1.2
189.09198	1.0
191.10753	1.3
199.07648	0.9
207.10414	1.0
209.11778	2.2
213.09142	1.7
227.10715	1.2
232.34283	0.8
427.21106	1.8
449.02985	0.9
497.25201	2.3
505.26218	1.5
527.26971	1.0
531.24139	1.5
539.25421	1.5
543.22095	1.6
549.24634	5.1
551.25714	1.1
563.26349	1.0
569.27777	1.5
573.24707	1.2
581.27631	1.4
591.16418	1.3
591.25970	24.1
592.26288	3.9
597.28125	1.4
603.26013	4.1
613.26233	1.8
615.27423	1.0
625.26471	9.5
626.26392	1.0
641.27655	5.2
642.26996	1.5
654.30426	1.3
655.29395	4.5
657.28510	5.6
658.29083	1.8
673.30115	11.7
674.30347	1.8
675.28003	1.1
685.29596	6.7
717.29132	21.9
718.29041	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	717.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.7
59.01380	60.1
61.98832	100.0
63.85218	0.7
68.31550	0.8
70.74494	1.9
71.01394	2.5
73.02947	0.9
75.00866	2.5
78.95921	1.5
83.01385	1.4
83.05022	2.2
85.02943	5.4
87.04514	4.7
96.95998	3.4
97.02953	1.3
99.04524	33.1
100.04848	1.1
101.02442	11.3
107.05018	1.1
111.04562	0.9
121.02957	40.9
122.03243	1.0
123.08144	0.9
131.05055	1.8
133.06567	1.9
135.04491	1.5
145.06610	1.0
146.02165	0.9
147.04514	25.6
147.08275	0.8
148.04893	1.3
149.06065	0.9
157.06526	1.4
161.06088	4.3
169.66219	0.9
171.04584	1.2
171.10320	1.1
173.06177	1.0
173.09705	1.4
177.09238	1.2
187.07646	1.2
187.09677	1.2
189.09198	1.0
191.10753	1.3
199.07648	0.9
207.10414	1.0
209.11778	2.2
213.09142	1.7
227.10715	1.2
232.34283	0.8
427.21106	1.8
449.02985	0.9
497.25201	2.3
505.26218	1.5
527.26971	1.0
531.24139	1.5
539.25421	1.5
543.22095	1.6
549.24634	5.1
551.25714	1.1
563.26349	1.0
569.27777	1.5
573.24707	1.2
581.27631	1.4
591.16418	1.3
591.25970	24.1
592.26288	3.9
597.28125	1.4
603.26013	4.1
613.26233	1.8
615.27423	1.0
625.26471	9.5
626.26392	1.0
641.27655	5.2
642.26996	1.5
654.30426	1.3
655.29395	4.5
657.28510	5.6
658.29083	1.8
673.30115	11.7
674.30347	1.8
675.28003	1.1
685.29596	6.7
717.29132	21.9
718.29041	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	717.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19874	0.1
54.27752	0.1
57.64347	0.1
59.01147	0.1
59.01381	1.0
61.98826	0.6
69.01272	0.1
71.01382	0.6
73.02947	0.2
74.99087	0.3
79.95723	4.9
85.02940	0.3
86.10388	0.1
88.74213	0.1
89.02440	0.2
95.95273	0.2
96.96009	77.5
97.95937	0.3
101.02449	0.2
106.17960	0.1
113.02443	0.2
117.27500	0.1
118.80528	0.1
119.05005	0.2
122.97594	0.1
136.99162	0.3
150.03169	0.1
153.09283	0.1
164.04814	0.1
165.05521	0.1
179.03481	0.1
188.41977	0.1
195.06538	0.1
245.35164	0.1
254.39925	0.1
267.10861	0.1
271.70898	0.1
289.11130	100.0
290.11456	6.2
657.33850	0.1
674.34027	0.1
693.13177	0.1
717.38013	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
60.20026	0.1
61.98826	0.5
64.83492	0.1
71.72767	0.1
72.99276	0.2
79.95736	3.5
83.77351	0.1
85.02935	0.6
87.00885	0.2
92.57021	0.1
96.96007	100.0
97.93111	0.3
97.95947	0.3
98.20087	0.5
99.04520	0.4
113.92585	0.1
114.93390	0.7
151.07651	0.4
152.08032	0.1
176.74864	0.1
189.89072	0.1
209.11714	0.2
471.27432	1.7
472.27771	0.2
530.56995	0.1
597.27728	0.2
613.39215	0.2
639.28381	0.4
655.40704	0.3
657.29517	0.4
659.31055	0.3
699.30646	0.1
717.20526	0.2
717.31665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.5
60.27219	0.4
61.98829	100.0
62.98544	0.7
69.38270	0.3
71.01369	1.0
72.99319	0.6
81.03459	0.4
83.05068	0.4
85.02966	1.7
85.27171	0.3
87.00870	0.6
95.05042	0.5
96.95992	2.2
99.00895	1.3
99.04523	8.3
101.02502	0.5
107.05028	0.4
109.02946	0.6
111.04541	0.7
121.02955	1.7
121.06639	0.5
123.04549	0.8
125.02448	0.4
127.04028	0.5
139.03954	0.3
147.04515	17.5
148.04939	0.5
149.06088	0.7
171.10303	0.7
193.05107	0.8
195.26018	0.3
211.06064	0.5
211.13344	0.5
231.10355	0.5
243.10257	0.4
437.36734	0.4
455.17001	0.5
473.18494	0.7
491.19199	5.6
491.25537	0.3
492.19821	0.7
519.18842	2.4
553.24677	0.6
571.26251	0.4
579.26172	1.1
597.27325	0.6
621.23431	0.8
635.31287	0.8
649.22937	4.1
650.23828	0.5
681.26196	0.5
717.33026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44441	1.2
56.24973	1.1
59.01379	82.6
59.09281	1.0
61.98832	32.3
65.90524	1.1
68.38081	1.1
71.01373	2.0
71.53526	1.7
72.99300	5.0
75.00861	1.3
78.95900	1.4
87.00858	1.2
88.98824	2.0
89.02429	1.3
99.04517	1.4
121.02928	2.0
125.91470	1.1
133.01445	1.2
135.02971	1.3
135.04509	6.7
147.04495	10.6
171.10226	2.7
177.43629	1.3
209.11742	2.0
238.10425	1.1
311.15366	1.2
481.11389	5.3
495.12930	4.7
496.13803	14.6
497.14197	8.2
498.14954	1.9
511.16232	100.0
512.16449	25.0
528.12854	1.4
555.15137	6.0
556.15826	3.7
567.18640	1.4
570.17529	62.7
571.18140	31.7
572.18384	3.9
603.16736	2.4
625.19287	12.9
626.19623	4.3
643.20099	1.8
657.21985	25.1
658.22260	7.9
684.02197	1.4
717.24030	90.5
718.24371	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62087	0.1
53.71210	0.1
54.92187	0.1
59.01379	1.0
61.98830	100.0
62.98541	0.2
71.01408	0.2
71.76546	0.1
89.02460	0.1
99.04533	0.6
101.02482	0.1
101.06093	0.2
147.04578	0.3
256.23660	0.2
294.97610	0.1
302.82605	0.1
346.89740	0.1
395.26324	0.1
399.14059	0.2
400.14618	0.1
618.84418	0.1
640.29193	0.2
672.33179	0.3
716.31464	0.5
717.33337	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
61.98829	100.0
62.98528	0.2
70.19659	0.1
71.01383	0.2
89.02472	0.2
101.02460	0.2
125.02425	0.1
126.94872	0.1
140.27769	0.1
145.02959	1.3
147.04535	0.2
151.37622	0.1
176.49509	0.1
190.59206	0.1
191.45860	0.1
209.11864	0.3
237.73260	0.1
248.08238	0.1
255.23299	0.4
256.23676	0.4
257.24106	0.1
354.55823	0.1
397.13608	0.2
398.13864	0.2
399.14117	0.4
400.14441	0.3
417.15033	0.2
716.43030	0.1
717.31024	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.9
61.98829	100.0
71.01377	0.3
75.00886	0.3
79.88771	0.2
81.02907	0.2
81.03388	0.2
83.05000	0.2
85.02935	1.3
88.98798	0.3
98.19878	0.5
99.04528	1.6
100.04881	0.2
101.06066	0.2
116.92857	0.3
121.02949	2.6
122.03313	0.3
127.39577	0.2
147.04559	0.9
169.12491	0.2
171.10339	0.3
204.75168	0.2
209.11829	1.5
211.13434	1.3
227.13080	0.4
234.62697	0.2
235.08371	0.3
246.25113	0.2
295.79388	0.2
358.30380	0.2
454.63022	0.2
546.45929	0.2
569.35028	0.2
615.24792	0.6
642.50146	0.2
657.26019	0.2
658.79089	0.2
716.33417	0.5
717.29742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
55.49332	1.1
57.03447	71.7
59.01378	71.6
67.82768	1.0
71.01378	11.4
71.30696	2.1
72.63367	1.2
73.02961	7.9
83.01385	3.7
85.02956	8.9
88.04053	1.7
89.02442	3.2
99.00908	2.8
99.04517	63.4
99.24217	1.1
100.04863	1.7
101.02438	28.6
103.04008	4.9
105.50419	1.0
113.02416	6.6
113.58974	1.1
117.05570	3.9
125.02450	21.2
129.01968	3.0
130.08742	8.1
134.03729	1.9
135.04546	1.9
136.05330	2.7
143.03482	5.4
147.02992	4.3
149.06059	1.4
151.07649	1.6
159.02933	1.6
161.02426	1.3
161.04581	5.8
165.01871	1.2
165.05569	1.7
172.09715	6.1
177.01898	1.3
179.03484	1.3
193.05066	3.9
195.06621	23.9
196.91541	1.1
201.11087	1.1
221.10307	25.7
222.10464	1.4
228.08836	1.5
263.11313	14.6
288.92606	1.2
303.14450	5.3
307.10492	1.8
357.11932	5.3
365.14490	100.0
366.14993	7.2
499.11273	2.1
619.56665	1.3
697.79077	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97735	1.0
59.01370	3.8
60.88606	1.1
61.98833	13.5
69.03463	4.8
71.01379	4.2
78.95921	1.3
85.02940	1.3
87.00866	1.3
89.02431	3.1
101.02430	4.5
105.91376	1.1
113.02435	1.3
151.10120	1.2
151.11244	2.3
161.04553	1.1
161.09720	3.1
179.10744	6.3
197.11823	37.3
198.12199	2.0
226.24321	0.9
235.08194	1.1
241.10808	2.7
253.09215	1.9
255.23286	74.4
256.23627	5.5
592.72772	1.1
715.42706	100.0
716.42957	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	716.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57808	0.1
59.01384	1.1
61.98830	100.0
62.98542	0.2
71.01411	0.2
71.23274	0.2
89.02435	0.2
99.04508	0.8
100.04895	0.2
101.06098	0.2
147.04565	0.3
209.12064	0.1
255.23344	0.1
257.24069	0.1
399.13882	0.2
400.14188	0.2
408.66748	0.1
488.40335	0.1
597.68896	0.1
640.29431	0.2
641.31189	0.1
672.32483	0.2
716.31659	0.6
717.32495	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44218	0.3
59.01382	3.8
61.98831	100.0
63.75774	0.2
66.97462	0.2
71.00496	0.6
71.97300	0.2
80.87058	0.3
83.93491	0.3
85.02953	8.5
86.03284	0.3
87.04551	0.7
99.00889	0.3
99.04518	4.7
99.08667	0.3
121.02961	6.5
123.08110	1.5
125.09758	1.1
133.06602	0.6
135.04546	0.3
147.04501	0.6
147.76285	0.3
153.86162	0.3
213.09114	0.3
267.10086	0.3
409.20105	0.3
427.21393	0.6
495.24185	0.6
496.24387	0.8
497.25644	1.0
573.24963	0.4
577.28320	1.5
580.26611	0.8
581.27979	0.7
591.25916	1.7
608.14807	0.3
624.25641	0.4
653.29694	8.0
654.30060	2.0
655.29327	0.9
673.30206	3.6
716.40179	0.9
717.29504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.3
61.98830	9.7
68.99825	1.7
69.61891	1.7
69.62301	2.6
71.01381	1.5
73.02930	1.9
79.63467	0.9
81.03462	1.1
83.01366	1.1
83.05012	1.3
95.05047	0.9
97.02946	1.0
98.20680	1.5
99.04519	100.0
100.04858	1.2
103.05540	2.2
105.07119	1.3
107.05036	2.1
109.06534	0.9
115.05505	1.4
117.07091	2.5
119.04995	3.0
121.06586	2.1
123.04498	1.3
125.06088	1.1
129.07065	1.0
131.05022	9.1
133.06584	14.4
133.10257	1.1
135.08124	0.9
137.08324	0.9
141.07086	2.9
143.04956	1.1
145.06569	2.1
147.04512	77.9
148.04825	2.9
149.06038	1.3
157.06546	2.6
159.08147	1.0
161.06088	17.8
161.09706	1.6
168.79153	0.7
170.07375	1.1
171.04506	12.5
171.08096	1.5
173.06123	1.6
173.09702	3.6
175.07689	0.9
183.08109	3.1
184.05244	2.4
185.06003	1.1
185.09683	4.0
187.11264	2.4
191.27440	0.8
198.06781	0.9
199.07552	1.9
199.86786	0.8
209.11679	1.0
211.07625	14.1
212.08058	1.4
213.09271	4.0
217.12090	0.9
226.67307	0.8
229.08586	1.3
280.28122	0.9
283.13275	1.1
303.14227	0.8
335.16455	0.8
339.16040	1.7
353.17542	1.9
361.18127	1.9
371.18613	3.0
391.19220	2.6
409.20248	3.9
410.39624	0.7
427.21188	15.5
428.21753	1.4
443.18802	1.2
445.22269	23.6
446.22736	2.5
459.23633	1.0
509.25278	2.6
527.26373	1.2
539.24286	2.7
540.24713	1.0
557.25482	6.7
558.24786	1.2
589.29132	1.2
595.30695	1.7
598.42377	0.9
621.28625	1.7
639.29590	31.7
640.30084	5.1
671.32214	22.6
672.32574	5.9
683.28131	2.7
715.31195	92.0
716.31506	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	715.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.6
61.98831	13.7
68.99826	1.7
69.77769	4.8
74.61742	0.8
75.00871	1.7
82.95409	2.3
85.02953	1.1
87.00871	1.5
88.98811	1.0
99.00912	0.9
99.04517	100.0
100.04829	2.3
101.03935	1.3
105.07103	2.0
105.79040	0.9
107.05003	1.3
115.05496	1.1
119.04989	2.4
121.02949	1.4
121.06586	1.9
129.07065	1.5
131.05003	3.3
133.06604	11.7
141.14493	0.9
145.06572	1.6
147.04512	44.3
147.08179	1.6
148.04865	1.6
149.06052	2.0
151.07616	0.8
157.06592	2.7
159.08116	2.1
161.06091	3.5
161.09688	5.5
167.35912	1.0
170.07297	1.2
171.04527	14.5
171.08115	1.0
173.06065	2.7
173.09741	2.0
177.05550	1.1
183.08112	1.5
184.05284	3.9
185.09686	3.4
187.07706	1.4
187.11253	1.8
189.09175	1.5
198.06831	1.3
200.08258	1.0
211.07608	4.6
213.09209	3.0
225.09262	1.9
317.15390	1.0
337.17978	1.2
338.36023	1.0
391.18994	1.5
407.18765	1.6
409.20407	1.2
427.21158	8.0
443.18579	2.0
445.22290	1.6
491.24130	1.5
509.24728	2.4
539.24268	3.8
602.77942	0.9
621.28522	2.1
639.29584	51.9
640.30115	10.4
671.32233	47.9
672.32617	7.6
683.28424	2.3
710.58563	1.0
715.31268	75.5
716.31543	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	715.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	1.8
68.99796	1.0
71.00679	1.2
71.01372	1.1
73.02956	1.6
79.05542	1.0
81.03429	1.2
83.01352	0.7
83.05024	1.0
87.46885	0.8
92.14325	0.6
95.04986	1.0
97.02962	0.8
99.04517	100.0
100.04853	1.4
101.03953	1.1
103.05548	3.5
105.07082	1.7
107.05036	2.6
115.05537	2.4
117.07110	2.2
119.05032	2.1
121.06544	1.7
123.04467	1.3
124.05306	0.9
129.07098	0.9
131.05028	8.4
133.06584	12.5
135.08208	0.8
136.47015	0.7
137.40599	0.7
141.07123	3.8
143.05017	1.1
145.06599	1.9
147.04514	57.4
147.08138	1.1
148.04829	1.6
149.06046	2.2
157.06554	2.8
159.08133	1.7
161.06084	17.0
161.09683	2.1
163.50075	0.7
171.04509	10.0
171.08064	1.3
173.06052	1.9
173.09688	3.2
183.08119	4.2
184.05281	2.4
185.09674	5.5
186.09917	0.7
187.11261	2.5
197.06047	0.7
198.06859	0.7
199.07718	1.1
209.09898	0.9
211.07614	12.9
212.08127	1.1
213.09262	3.4
225.09215	0.8
260.59369	0.7
267.13797	0.8
299.04999	0.7
305.15634	1.2
323.16418	1.2
339.15997	1.2
353.17673	1.9
361.17841	0.8
371.18799	3.3
391.19025	1.5
407.72134	0.8
409.20169	3.7
427.21259	11.4
443.18573	1.0
445.22275	14.0
446.22614	2.0
479.23996	1.0
509.25360	2.0
534.66205	0.7
539.24475	1.9
557.25311	2.6
595.30261	1.7
639.29523	25.9
640.29871	6.9
671.32172	17.6
672.32098	4.6
683.28564	1.0
687.30945	1.1
715.31226	72.3
716.31573	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	715.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.0
61.98832	3.5
68.99816	1.5
70.52832	1.4
71.01386	0.7
73.02955	2.5
78.95874	0.5
79.05509	0.9
81.03487	0.5
82.44822	0.4
83.05018	1.1
85.02953	12.4
86.03268	0.5
93.03474	0.8
97.02936	0.9
97.06593	1.0
98.00099	5.6
99.04520	100.0
100.04855	2.4
103.05544	1.1
105.07070	0.6
107.05037	1.0
109.06540	0.6
115.05537	10.6
116.05923	0.6
117.07040	0.6
119.05015	0.8
121.02926	0.9
121.06601	0.9
123.04518	0.9
124.05306	0.9
125.06149	0.7
129.07082	1.3
131.05016	1.0
133.06599	0.6
133.10237	0.9
133.60886	0.4
135.04506	0.5
135.08211	0.5
137.05133	0.5
141.06097	0.8
141.07109	10.3
143.05011	7.1
145.06578	1.9
147.04518	23.0
147.08127	1.1
148.04779	1.3
151.07590	0.6
155.08633	1.9
156.05858	0.7
157.06587	7.1
159.08093	1.1
161.06096	1.3
161.09763	0.7
167.08653	0.8
169.06532	0.8
171.04504	2.0
171.08191	0.9
171.10211	0.5
173.06120	1.0
173.09729	0.8
183.04536	2.9
183.08098	1.2
184.05269	13.4
185.06059	2.7
185.09662	1.2
197.09740	0.6
199.07761	0.5
201.09180	0.6
207.11662	0.6
209.11774	1.8
211.07640	5.6
218.11009	2.1
225.09230	0.6
234.10254	0.6
235.11261	0.9
247.14914	2.0
261.13025	0.6
262.10031	0.5
263.14401	0.6
273.16455	2.8
289.16003	0.7
290.16479	0.5
291.13940	0.9
304.26572	0.4
317.15363	0.6
323.16333	0.6
351.84631	0.5
371.18652	2.0
372.19412	0.5
417.22894	0.6
427.21149	3.7
427.73471	0.6
428.21860	0.6
445.22281	4.1
495.24219	2.1
496.24832	0.6
501.30243	1.3
513.26306	2.2
527.27661	0.9
529.26086	1.5
539.24335	0.7
557.25513	2.5
585.28735	0.5
595.30640	15.7
596.31006	2.9
611.30237	2.8
621.28650	1.7
627.33215	12.8
628.33679	2.1
639.29633	16.8
640.30151	4.0
643.32904	0.7
653.30945	0.5
671.32013	9.8
672.32672	2.5
683.28491	7.4
684.28601	1.6
715.31226	50.6
716.31519	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	715.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54111	0.8
59.01382	79.0
60.01702	1.1
61.69979	0.7
61.98832	100.0
69.29521	1.8
69.29923	4.9
71.01375	2.4
75.00883	1.9
78.24817	0.9
83.01421	0.9
83.05032	1.4
85.02942	4.7
87.04522	0.9
88.98772	1.7
93.07365	0.8
95.05004	0.8
96.96001	1.2
98.20728	1.2
99.00875	1.0
99.04523	28.4
100.04830	1.1
109.06596	1.1
120.74068	0.9
121.02961	16.7
122.03297	1.2
125.09750	1.1
133.06583	1.6
147.04524	29.5
147.08145	1.6
159.08121	1.4
161.09718	1.1
162.25735	0.8
167.49722	0.7
171.10277	1.9
187.11307	1.1
199.11641	1.0
201.09125	1.0
209.11830	1.7
211.13268	0.9
213.09370	1.6
214.09941	1.0
235.08206	0.9
239.15695	0.8
264.13937	0.8
295.15683	1.3
332.28659	0.9
349.26147	0.9
401.23358	2.2
427.21121	2.4
445.22021	1.5
473.25177	2.2
483.27567	2.7
509.25504	8.5
510.25537	1.1
515.26025	1.1
527.26605	8.7
528.26691	1.8
551.26428	3.6
568.25684	3.5
569.27588	48.4
570.27875	8.7
579.25372	1.4
593.27576	3.4
595.28748	1.9
611.28729	8.2
612.29041	2.2
613.27087	2.6
637.26208	1.4
655.27570	19.9
656.27057	3.9
671.43683	1.9
683.29395	1.4
684.28912	1.3
715.30725	5.1
716.31232	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	715.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01715	1.5
61.98830	35.2
68.99571	52.9
69.18310	1.1
69.18713	6.8
70.30318	0.7
71.01369	2.1
73.01163	1.1
73.02954	0.7
75.00881	0.9
83.01416	1.2
85.02949	38.8
87.04510	3.8
88.98792	1.0
95.05061	0.9
99.04528	15.8
101.06044	1.4
107.05035	1.3
111.00849	0.8
112.98570	45.8
114.05615	0.7
119.04941	0.9
121.02966	10.2
123.04482	1.0
125.09751	1.2
135.04486	1.2
147.04495	3.0
147.08049	1.0
159.08057	1.0
163.11116	1.0
171.08157	1.9
173.09694	0.9
182.14981	0.8
185.06071	0.9
197.78670	0.9
200.08406	1.7
201.09106	1.2
207.10257	1.2
209.11667	1.6
211.13402	3.6
213.09193	1.7
225.11293	2.4
236.76053	0.9
240.07841	1.0
250.54895	0.8
252.07947	2.8
253.12360	1.3
266.09521	4.7
267.10208	9.8
281.11899	7.8
282.12289	1.1
451.21310	1.4
457.22412	2.8
461.20544	0.9
467.24561	2.9
495.23853	57.5
496.24271	8.6
519.23456	1.0
527.26587	4.2
537.24805	9.1
538.25153	2.1
551.26611	1.3
569.27313	1.7
573.27112	1.9
579.25928	33.6
580.26404	5.9
595.28992	1.5
611.28656	15.5
612.29272	4.4
637.29889	1.6
655.28217	1.8
715.30981	4.8
716.33325	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98831	5.7
71.01379	1.4
79.05547	0.8
81.03446	0.8
83.01393	0.8
83.05047	1.2
83.23337	0.6
85.02950	59.7
86.03295	1.0
91.70033	0.6
95.05015	0.9
97.06609	0.9
99.04546	1.5
121.02960	3.5
122.03809	0.7
123.04527	0.9
125.09740	2.1
133.06650	1.3
135.04561	2.1
147.04543	1.2
149.38571	0.5
157.06601	1.6
159.08180	1.4
171.08173	2.3
171.10358	0.9
172.08965	0.7
173.09668	1.0
185.06180	0.7
187.09747	0.8
199.07695	1.3
200.08452	1.7
201.09262	1.8
209.11923	0.8
211.13516	0.7
213.09222	1.8
233.67827	0.7
237.09262	1.5
238.10023	1.4
239.10703	1.1
252.08005	1.8
253.12483	1.9
255.13966	0.7
263.10678	0.8
266.09506	4.2
267.10236	10.2
268.10739	1.2
281.11798	7.0
298.12585	0.8
299.13043	1.2
313.14554	1.6
335.16586	1.1
361.18033	0.8
379.19263	1.3
409.20578	1.2
441.23050	1.7
451.25562	0.8
457.22495	2.2
467.24472	4.1
477.23120	1.4
493.21997	5.6
495.23889	59.7
496.24234	11.0
509.25717	1.7
511.23880	0.8
519.24066	1.4
525.25275	1.5
527.26410	3.0
537.25629	10.1
538.25653	1.8
539.23419	1.9
551.26807	2.3
569.24603	1.0
576.47137	0.7
579.25977	38.6
580.26282	7.2
581.24481	1.9
611.28522	16.6
612.29059	2.9
623.24902	31.3
624.25403	6.3
625.96838	0.7
655.27728	5.2
656.28259	1.1
715.40369	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22818	1.2
55.30901	1.1
57.03443	2.0
59.01381	100.0
60.01678	1.3
61.98832	98.6
68.99569	2.0
71.01380	2.6
71.52966	1.6
75.00867	2.4
79.05560	1.2
80.91672	1.3
82.60671	1.0
83.01404	1.1
83.05000	1.9
85.02952	5.2
87.04547	1.1
88.98798	2.3
96.95999	2.1
97.06604	1.9
99.04517	31.0
101.02467	1.4
101.06071	1.4
121.02156	2.1
121.02956	24.4
121.06536	1.6
125.09743	2.3
133.06592	2.2
147.04529	18.1
151.07655	1.5
159.08157	1.8
171.10269	3.8
187.09703	1.9
187.11269	1.4
209.11868	2.8
211.13382	1.7
295.15475	1.3
349.30826	1.2
401.23444	4.1
427.21552	2.8
445.22253	3.1
450.58020	1.4
458.13980	1.2
473.25516	2.1
483.27380	2.8
509.25531	8.6
510.25476	1.7
515.27106	1.6
527.26465	10.7
551.26526	5.5
569.27545	55.3
570.27979	11.0
579.24976	1.6
593.27820	3.5
595.28906	3.6
611.28503	12.2
612.29053	2.8
613.26563	2.8
633.27338	1.9
637.26691	3.9
655.27588	27.4
656.28058	6.3
671.43658	5.8
683.29608	2.0
715.31836	6.7
716.30463	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	715.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42290	1.0
59.01380	100.0
60.01683	1.2
61.98537	1.3
61.98833	14.9
65.76105	1.1
65.96436	1.1
71.01376	1.5
85.02950	48.0
93.01899	1.2
95.92101	1.1
96.95985	3.2
99.04522	4.2
100.23671	1.1
121.02979	1.3
147.04541	1.4
155.43283	1.1
171.08119	3.8
199.07587	1.3
200.08269	2.7
201.09134	2.4
213.09157	2.8
234.52420	1.1
238.10046	1.5
241.81248	1.3
252.07771	1.2
253.12201	1.9
266.09460	6.0
267.10251	11.6
268.10526	1.7
281.11758	9.1
299.12863	1.3
335.16446	1.8
363.85474	1.2
457.22421	2.7
467.24222	3.9
495.23911	71.5
496.24185	11.2
527.26288	3.8
528.26807	1.7
532.32788	1.3
537.24945	12.1
538.25848	1.7
551.25854	2.2
563.22900	2.1
579.25940	40.5
580.26556	8.7
611.28589	25.7
612.28906	4.8
655.27405	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	715.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16730	0.5
57.03454	0.9
59.01379	100.0
60.01719	0.7
60.05898	0.4
61.98829	42.5
68.99564	2.8
69.03461	1.2
69.97173	0.4
71.01025	0.6
71.01399	1.8
73.02945	0.9
75.00859	0.5
79.05542	0.8
82.95425	0.7
83.01423	1.4
83.05019	1.7
85.02950	77.6
86.03297	1.3
87.04508	1.5
93.03436	0.7
94.14029	0.5
95.05047	1.9
96.96012	1.4
97.06588	0.8
99.00880	1.4
99.04523	3.9
101.02445	0.6
101.06091	1.0
105.07063	0.6
107.05058	0.6
108.02185	0.6
109.06596	1.7
111.04542	0.9
112.98571	2.5
121.02956	18.1
122.03773	1.0
123.04533	1.8
125.06114	0.6
131.04958	0.6
133.06560	1.2
135.04561	0.6
137.06108	1.0
144.05775	0.7
147.04462	0.6
147.08206	1.0
155.08727	0.7
157.06587	1.1
159.08197	1.1
161.09749	0.8
163.07628	0.6
170.07338	0.5
171.08159	1.5
173.09731	1.0
183.08168	0.5
185.06050	0.6
185.09627	0.8
195.08255	0.6
197.09645	0.5
198.06818	0.9
199.07706	1.1
200.08411	0.7
201.09196	1.1
201.12918	0.6
211.07637	1.6
212.08395	1.3
213.09196	0.8
215.10747	0.6
223.07690	0.6
223.11269	0.5
225.09216	0.7
229.12074	0.9
237.09209	0.6
237.12848	0.6
238.10101	0.7
239.10576	0.8
252.11769	0.5
253.12360	2.0
255.13968	0.5
263.10779	0.7
266.09503	0.8
267.10236	2.5
281.11874	2.9
281.14731	0.5
293.14404	0.6
335.16547	1.3
337.18237	0.6
365.17682	1.2
373.20667	0.7
379.18896	0.7
387.19537	0.7
391.19177	0.9
409.20218	2.3
423.21692	0.8
433.19971	0.9
441.22913	2.0
451.21097	1.7
457.22162	0.9
465.23026	0.9
467.24551	2.6
477.22986	1.6
483.23807	0.8
493.22250	13.2
494.22537	2.0
495.23929	31.3
496.24280	5.0
513.24677	1.1
519.23651	1.6
525.24969	3.7
525.68890	0.5
526.25952	0.6
527.26660	1.3
535.26624	0.9
537.21777	8.5
538.22375	1.5
539.22559	2.8
551.26239	1.3
561.25256	0.7
569.23895	2.8
570.24225	0.7
579.25928	26.5
580.26221	4.3
581.23779	5.0
582.24207	1.0
593.26166	1.6
595.24951	0.8
611.28522	1.5
623.24933	83.0
624.25275	15.6
637.29822	0.7
641.26294	0.7
655.27478	11.7
656.27930	2.6
715.29822	6.9
716.30115	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16182	0.5
55.19930	0.5
55.85457	0.6
59.01378	100.0
60.01716	1.1
61.02983	0.7
61.98825	5.4
63.37204	0.5
67.01895	1.9
71.01394	2.0
71.52341	0.6
71.52756	0.6
83.05039	3.6
85.02963	2.4
87.04523	1.4
99.04521	25.0
99.05171	1.2
107.18269	0.6
111.04507	0.8
116.92912	1.1
121.02958	3.0
127.04012	0.9
133.01457	1.6
133.05119	2.6
133.06618	1.0
135.04552	1.9
141.05646	1.3
146.49234	0.6
147.04546	1.6
157.06577	0.7
159.08156	1.4
171.08185	2.7
171.10336	0.8
175.07695	1.2
191.10852	0.8
199.07715	1.3
200.08380	1.5
203.10822	0.6
209.11829	12.0
210.12190	0.7
215.10760	8.7
216.11171	0.7
227.12906	1.0
229.96385	0.6
253.09485	0.7
255.14021	1.1
267.76761	0.6
292.86963	0.6
294.56870	0.6
297.14972	0.7
314.87076	0.7
391.19070	3.1
397.19965	0.9
397.30121	0.7
409.20486	1.6
425.19629	0.7
451.21353	0.9
473.23532	0.6
491.24646	1.5
509.25366	0.9
525.25024	4.0
535.23969	0.7
539.26526	0.9
551.26685	1.5
569.24579	2.4
573.25836	0.7
595.25519	6.5
596.25836	0.9
613.26050	4.1
655.27386	6.6
656.28473	1.4
679.26855	0.8
683.28070	0.8
715.31744	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	715.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62348	2.7
54.55210	2.8
59.01381	86.1
60.99308	2.5
61.98830	100.0
71.52543	3.8
72.99306	7.6
73.41776	2.7
79.99277	2.4
83.95895	2.4
85.02927	5.0
87.04493	4.7
88.98809	8.6
89.02435	4.6
99.00869	3.4
99.04523	24.8
100.04932	2.8
116.92861	6.0
121.02949	39.8
139.83986	3.2
147.04539	21.1
161.39384	2.8
201.11230	2.8
209.11787	13.9
253.09250	3.1
679.27808	6.3
683.27917	4.6
715.31586	30.0
716.31183	5.2
724.50769	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	713.354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01701	0.9
61.98832	1.9
69.62310	0.5
69.62720	0.3
82.50285	0.1
82.95456	0.2
83.05074	0.1
93.37930	0.1
99.04520	2.7
121.03005	0.4
185.11908	0.2
211.13431	0.2
219.04175	0.1
295.15656	0.2
367.07266	0.2
413.23416	0.1
439.21634	0.2
457.22702	0.6
521.26306	0.3
539.26477	12.4
540.26941	1.9
565.28094	0.5
621.31366	0.5
707.67719	0.2
713.32373	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73763	0.2
59.01379	5.6
61.98829	100.0
63.08771	0.2
63.99251	0.3
71.01403	0.6
71.21301	0.2
71.53960	0.3
73.02947	0.7
75.00897	0.3
82.03031	0.2
82.95437	0.2
85.02972	0.4
89.02430	0.3
95.90534	0.3
96.96016	0.8
99.04518	2.9
100.04842	0.3
101.02462	0.6
109.02979	0.2
116.21211	0.2
121.02953	16.2
122.03317	0.6
133.06578	0.2
141.54352	0.2
147.04529	1.6
147.61629	0.2
149.06146	0.2
161.06062	0.3
171.08252	0.3
209.55670	0.3
230.81691	0.2
298.74982	0.2
303.80237	0.2
475.73373	0.2
529.20752	0.3
575.26740	1.3
607.29517	0.8
608.30334	0.3
651.24432	11.2
652.24567	2.0
654.29773	0.6
665.18640	0.3
670.39166	1.2
682.32025	2.0
714.34900	1.0
715.33417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.4
61.98830	100.0
69.16338	1.5
69.16761	0.7
71.01391	0.5
75.00871	0.3
83.05057	0.2
85.02948	0.6
96.96032	0.9
99.04535	2.1
107.85306	0.2
109.06599	0.3
121.02962	14.4
122.03336	0.6
147.04515	1.4
149.83655	0.2
161.06152	0.2
175.02301	0.2
183.79504	0.2
260.34573	0.2
439.90305	0.2
529.20996	0.3
575.26093	1.2
576.27734	0.3
607.29437	0.8
612.28949	0.3
651.24426	8.0
652.24719	2.4
652.34222	0.3
654.29510	0.6
655.31091	0.2
670.39038	0.4
678.30804	0.2
682.32562	0.4
714.34637	0.6
715.34833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.7
59.01379	52.2
61.98828	32.1
69.22671	11.1
71.01384	9.6
72.99306	5.1
73.02944	11.9
75.00876	16.8
76.49390	1.2
78.95889	1.7
81.03477	1.5
83.05029	2.2
85.02950	10.8
87.00885	1.7
88.98771	1.7
89.02405	2.2
93.03459	1.4
94.98042	1.5
95.01423	1.4
96.96011	24.4
97.02943	3.7
98.20109	6.1
99.04510	4.5
101.02422	2.6
113.02374	2.0
115.00391	1.6
119.05013	12.5
121.02959	100.0
122.03307	3.0
123.04530	1.5
125.02442	2.3
135.04492	2.3
137.02333	1.3
147.04555	6.7
148.04872	1.5
150.06810	1.6
152.04764	8.4
154.05179	2.5
154.06348	8.3
163.07616	1.3
176.04768	1.9
209.11710	1.8
295.15524	3.1
309.17023	1.5
327.21899	1.7
396.16687	1.3
407.20871	1.7
451.19772	1.8
473.22263	1.4
473.62344	1.4
474.22684	1.6
493.20892	4.2
495.24149	2.4
507.23697	2.7
509.34515	1.9
515.23358	1.6
525.25098	3.8
527.26440	3.9
533.21362	1.5
535.22156	5.6
537.24939	1.6
539.23145	3.0
549.24524	1.4
553.24316	3.1
555.26257	1.3
563.23785	1.5
571.25366	3.5
593.25220	2.1
595.25391	2.8
611.24512	2.6
613.26605	15.1
614.27106	2.3
619.39630	1.4
635.25031	16.6
636.25146	2.7
637.26636	6.1
651.28510	3.1
653.25946	33.7
654.26849	7.2
655.27527	78.6
656.28302	12.4
659.24591	2.5
669.37738	1.5
671.27155	7.1
677.26038	4.9
683.26837	7.2
695.26978	8.5
696.28235	1.6
713.27905	42.4
713.40729	2.8
714.27960	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59925	0.4
55.37940	0.4
57.03433	0.6
59.01379	19.0
60.69939	0.5
61.98829	100.0
62.98519	0.9
63.99257	0.7
68.90639	0.5
68.99593	1.3
71.01390	2.1
71.53498	0.6
72.25536	0.4
73.02960	0.7
74.99078	0.6
75.00865	0.6
82.95414	2.0
83.05032	1.6
85.02959	1.5
88.98807	0.6
89.02416	0.5
91.39883	0.4
96.96008	3.6
97.02905	0.4
97.06600	0.9
99.04517	89.8
100.04847	2.0
101.02438	0.9
101.06046	0.7
105.07130	0.5
109.06553	1.0
111.04482	0.5
113.02416	0.7
115.00325	0.5
119.05061	0.5
121.02975	4.8
121.06563	0.8
122.03539	0.4
125.02417	0.4
125.06032	0.5
132.05823	0.6
133.06599	1.3
136.54002	0.5
137.09692	0.5
139.07657	0.6
141.05493	0.7
147.04562	3.0
147.08195	0.6
148.04826	0.7
149.06088	0.7
151.07607	0.5
159.08058	0.7
161.09650	0.7
177.09245	0.7
187.11270	0.6
189.12889	0.8
204.11472	0.5
209.11642	0.6
211.13344	0.7
213.09094	0.6
214.09998	0.8
227.10738	0.8
251.14091	0.4
269.15189	0.5
364.96338	0.5
383.22266	0.7
399.21475	0.7
401.23386	5.0
402.23169	0.8
419.24042	1.1
420.73523	0.5
427.21347	0.9
445.21976	1.0
469.21854	0.5
483.27628	3.1
484.28110	0.6
501.28616	1.1
509.25424	4.6
510.25830	0.7
525.28540	1.0
527.26410	9.1
528.26514	1.7
541.27777	0.7
545.27838	2.2
546.28046	0.6
551.26758	2.8
552.26672	0.7
569.27557	25.5
570.28119	4.2
579.26019	1.0
587.28589	28.4
588.28741	4.6
595.25146	0.7
607.30145	0.6
613.26495	0.8
633.30164	0.9
635.26923	0.6
635.37836	0.6
650.26813	2.6
651.31775	13.5
652.32098	2.5
669.32642	18.0
670.33203	4.6
677.29120	0.7
695.30194	1.7
713.31732	13.6
714.32257	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	713.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81053	1.5
50.82559	1.3
52.45765	1.6
54.87292	1.3
59.01380	38.1
61.98828	100.0
71.01387	4.3
71.53517	2.4
75.00880	3.1
77.81118	1.4
80.91688	2.0
82.95422	10.6
85.02947	8.1
96.95477	1.5
96.96000	9.2
99.04528	18.7
101.02443	1.4
116.80356	1.5
121.02963	28.0
122.03363	2.9
133.06548	1.6
135.04539	1.6
147.04504	16.9
148.04866	5.4
156.12463	1.3
174.74637	1.4
189.73729	1.4
211.13567	1.9
305.56046	1.7
402.87732	1.4
482.44476	1.6
563.24915	1.6
577.24567	5.2
587.28650	4.0
621.27362	1.9
629.26392	1.8
631.29321	2.4
650.26849	11.2
651.27472	1.9
653.28625	2.0
669.39160	2.9
675.75470	1.6
677.29523	2.6
695.30170	2.5
713.30780	9.9
714.23303	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36490	0.4
55.01874	0.9
57.03446	6.4
57.38389	0.4
59.01377	6.0
64.20126	0.4
68.99805	0.6
69.73167	1.9
71.01379	6.8
72.99307	2.0
75.00867	1.7
81.00235	0.4
83.01379	1.5
83.60671	0.3
84.02177	1.1
85.02946	53.6
86.03246	1.0
87.00868	1.3
89.02447	3.6
98.20570	0.6
101.02414	0.7
103.00383	1.0
111.00875	2.9
115.00345	0.9
123.04489	1.3
129.01944	4.2
133.01424	3.3
134.03708	0.4
135.04535	2.3
138.56387	0.4
140.54100	0.4
147.02997	3.8
155.99911	0.4
173.00905	1.3
179.03514	1.3
180.60260	0.4
183.26622	0.4
186.60632	0.4
191.01961	22.4
192.02321	1.0
209.03011	100.0
210.03299	2.8
211.10896	0.4
228.54210	0.4
265.09259	0.8
292.72656	0.4
353.05008	0.5
371.06094	15.8
371.10025	1.8
372.06497	1.3
496.77457	0.5
713.76996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56621	0.4
61.98831	100.0
63.56714	0.4
70.25794	1.0
70.26194	0.7
72.07019	0.4
80.96505	0.6
80.98858	0.4
82.96120	0.5
91.15499	0.4
128.62294	0.4
311.83264	0.4
341.52856	0.5
511.33881	0.5
553.24420	0.4
712.38849	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	712.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	27.8
60.01719	1.3
61.98828	100.0
62.98543	0.4
71.01386	2.9
71.01733	0.5
71.53397	0.4
73.02956	1.0
79.05478	0.5
83.05016	1.4
85.02941	2.2
87.00845	0.6
89.02421	0.8
95.01512	0.4
96.95999	2.3
99.00934	0.9
99.04517	44.1
100.04855	1.3
101.02442	1.1
101.06071	0.6
107.05006	0.9
109.06599	1.5
111.04510	0.9
113.02426	1.2
121.02952	3.1
123.04516	0.7
135.04536	2.1
135.08183	0.7
135.15988	0.4
137.06123	0.7
139.07693	0.4
141.05603	0.6
147.04510	3.6
148.04875	1.2
150.06871	0.7
151.04053	0.6
158.06094	0.5
160.07712	1.7
163.07642	0.5
179.10855	0.5
196.28079	0.4
205.08577	0.4
209.11891	0.7
216.10382	0.6
231.59492	0.6
246.11487	1.6
302.13974	0.6
314.17453	0.4
327.11374	0.5
447.30817	0.5
465.35995	0.8
508.34695	0.5
520.23376	0.5
559.29602	0.6
560.29803	1.4
562.25122	0.5
570.27393	0.6
580.25177	0.8
598.26221	2.1
609.40125	2.0
612.27948	2.8
620.26532	1.4
622.27887	1.1
627.41681	0.8
630.29175	9.5
631.30127	1.8
634.27032	0.8
652.28479	1.1
662.28918	0.9
668.38190	0.8
669.39313	1.5
677.30096	0.6
680.30695	25.2
681.31012	5.3
712.31061	2.5
712.42657	0.7
713.33319	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60337	0.3
57.03438	0.9
59.01380	21.8
61.98830	35.7
63.99259	0.3
65.56882	0.3
68.46722	0.3
68.99839	0.5
69.03454	0.7
69.62492	0.4
69.62895	1.4
71.01376	1.4
75.00855	0.5
81.02192	1.5
81.03436	0.5
82.02982	2.5
83.05011	1.6
85.02962	1.3
90.02712	0.3
93.03432	0.4
94.44845	0.3
95.05016	0.4
96.96019	0.8
98.20093	0.5
98.20650	0.4
99.04520	100.0
100.04848	2.0
101.02411	0.6
107.03878	0.3
107.05048	0.7
109.06562	2.5
110.43801	0.3
111.04493	1.3
113.06108	0.3
115.00378	0.7
121.02973	0.9
121.06603	0.3
123.04537	0.4
123.08183	0.3
125.06096	0.4
127.03992	0.7
133.06642	0.7
135.04532	3.2
135.08226	0.5
141.05618	0.3
147.04526	0.9
147.08142	0.5
148.04959	0.3
149.06067	0.5
150.05600	4.2
151.03976	0.5
157.98311	0.3
159.08249	0.4
167.05855	0.7
168.06674	1.0
173.09666	0.6
176.07133	0.8
191.07138	0.3
193.08578	0.4
227.09613	0.9
228.10225	0.4
244.09784	0.4
256.13412	0.5
282.14957	0.6
284.13016	0.8
308.13226	0.4
401.23315	0.4
450.22845	0.5
472.21967	0.3
476.24677	0.7
483.27597	0.7
509.25400	1.0
510.25027	0.7
520.23425	0.5
527.26819	1.3
542.28180	0.3
551.26825	0.8
552.26331	0.4
554.27557	1.3
562.24896	0.8
569.27557	3.9
580.25574	3.4
581.25806	0.6
587.28625	1.2
598.26532	3.3
599.26678	0.5
612.18109	0.4
612.28113	10.5
613.28674	2.2
630.29169	25.1
631.29346	4.7
633.31055	0.4
636.31866	0.7
651.31653	2.0
662.29974	0.8
680.30664	12.9
681.31049	3.0
712.33337	4.4
713.31812	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	712.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
61.98829	100.0
62.98535	0.2
69.78221	0.3
69.78627	0.2
71.67587	0.1
87.04536	0.3
98.19907	0.1
105.94054	0.1
121.02987	0.2
122.03297	0.1
156.63911	0.1
169.75638	0.1
197.48808	0.1
201.90305	0.1
212.59097	0.1
265.48029	0.1
309.31696	0.1
352.97955	0.1
372.18185	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	712.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
59.01377	44.2
60.01706	1.4
60.63533	1.2
61.98829	44.2
71.01373	13.6
71.25660	2.6
72.99310	4.8
73.02950	8.3
74.99121	2.5
75.00876	13.1
78.29510	1.1
81.03461	1.7
83.01422	1.6
83.05024	2.1
85.02950	17.8
87.00896	2.7
88.98803	4.4
89.02448	5.3
93.03437	1.6
95.01398	2.1
96.96017	3.4
97.06651	1.7
99.00871	1.7
99.04519	27.5
101.02441	7.6
111.04541	1.5
113.02451	3.9
114.01966	2.2
114.48260	1.1
115.00381	2.3
119.03479	1.9
119.05064	1.5
121.02953	3.9
125.02438	2.9
135.04539	1.5
136.99159	2.5
137.02441	3.3
147.04414	2.1
150.06842	1.8
152.04791	3.4
154.06361	7.6
161.04610	1.5
175.02513	1.2
201.12965	1.7
295.15564	3.2
349.92062	1.4
405.63782	1.2
423.23785	3.6
441.21982	1.3
473.25366	3.6
475.22592	1.3
485.25552	1.5
503.26419	3.3
505.27927	3.0
513.24811	2.5
515.26825	2.1
531.25812	1.8
549.26910	8.6
550.27148	1.6
571.25555	2.7
573.26959	4.2
589.26556	19.5
590.26825	4.3
591.28082	53.0
592.28265	7.8
619.27557	22.4
620.28119	2.9
631.27246	1.7
649.28607	100.0
650.29102	18.1
651.39044	6.6
652.39435	10.9
668.31958	2.0
669.41064	1.7
670.40698	7.7
694.29309	2.2
712.29089	18.0
712.41577	1.7
713.31146	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	711.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.1
57.03441	3.2
58.00605	0.9
59.01379	70.8
59.42269	0.4
60.01716	0.6
60.99301	0.7
61.98832	7.0
63.96244	1.1
64.49549	0.4
67.01907	0.5
68.99862	0.5
69.03465	1.5
69.19437	1.0
69.19854	2.7
71.01382	44.2
72.01726	0.7
72.99313	3.3
73.02947	10.0
74.99100	0.6
75.00879	0.9
81.03503	0.6
83.01381	7.0
84.02196	0.4
85.02949	22.5
86.00083	0.8
87.00887	3.9
87.04554	0.6
88.98808	3.2
89.02445	14.9
93.03473	0.6
95.01389	5.4
96.96014	1.9
97.02947	2.3
99.00874	4.2
99.04533	2.8
101.02441	28.0
102.02799	0.5
103.04005	0.6
111.00906	2.5
112.01668	1.2
113.02451	21.1
115.78288	0.4
116.92883	1.6
117.01942	0.4
119.03499	5.0
120.99715	0.4
121.02953	0.5
124.01675	1.9
125.02450	5.0
129.01933	1.3
131.03558	0.4
135.04553	0.4
135.98384	1.6
136.99150	0.7
137.02438	0.8
141.54324	0.4
143.03479	4.7
143.10818	0.4
149.04576	0.5
159.03030	2.0
159.06900	0.5
161.04564	4.0
167.03514	0.4
179.05621	0.6
197.15604	0.5
267.86392	0.5
291.44870	0.3
299.25928	1.2
306.79391	0.4
321.89890	0.3
345.30075	5.1
369.63507	0.3
372.44360	0.4
375.12616	1.0
487.17429	0.5
489.34433	5.2
507.35403	8.6
507.42914	0.5
508.35614	0.9
531.16443	0.7
549.36530	0.7
577.34857	0.5
579.19250	1.0
596.28778	2.3
597.28790	0.6
615.37494	1.6
615.53778	0.4
651.39569	100.0
652.39917	17.6
667.33057	1.8
668.34113	0.7
669.40637	61.4
670.29803	0.6
670.41028	10.7
711.31732	2.5
711.41980	23.4
712.32391	1.2
712.42194	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	711.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65448	1.2
58.00583	1.6
58.22992	1.1
59.01377	19.1
61.89088	1.1
61.98827	92.1
65.73667	0.9
66.84243	1.2
67.52793	0.9
68.99561	3.0
71.01373	14.2
71.52415	1.1
72.99315	3.3
73.02938	3.5
74.04492	0.9
75.00882	5.4
75.81866	1.2
83.01383	2.9
85.02959	4.2
87.00873	3.4
88.98822	2.8
89.02438	13.9
91.04004	1.3
97.02959	3.5
99.00893	2.2
101.02444	13.2
105.01930	13.9
112.98555	3.8
113.02468	6.8
119.03512	4.8
120.90913	1.0
121.02950	11.4
125.02418	7.1
126.90455	3.8
131.53241	1.2
143.03439	2.4
147.04532	9.8
148.04939	1.1
149.02400	1.2
161.04530	3.0
179.05614	3.7
183.14006	1.5
199.09644	2.2
209.11795	1.3
211.13437	1.8
221.06686	1.1
235.08167	8.2
253.09245	2.3
277.21707	45.7
278.21988	3.2
287.07697	2.6
292.73526	1.1
305.08728	2.6
327.23514	1.8
397.13467	100.0
398.09247	1.4
398.13675	6.3
415.14578	29.5
416.15079	2.4
428.44278	1.2
481.91092	1.5
675.36047	10.0
676.36676	2.2
693.26880	1.3
711.33746	66.2
712.33984	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	711.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37236	0.3
54.88490	0.3
55.01871	2.2
55.06227	0.3
57.03445	3.5
58.00600	1.7
59.01379	69.3
60.01702	0.8
60.99314	0.5
61.98832	6.6
63.96247	0.7
67.01871	0.4
68.99839	0.5
69.03445	1.8
69.25000	1.1
69.25430	1.6
71.01381	45.4
72.01724	0.8
72.99301	3.3
73.02946	11.8
74.99062	0.4
75.00882	1.2
81.03464	0.8
83.01382	6.7
83.44733	0.4
85.02950	22.5
85.06625	0.4
86.00102	1.1
87.00881	4.5
88.98824	2.6
89.02441	14.4
93.03471	0.3
95.01381	4.7
95.01951	0.5
96.96027	1.2
97.02946	3.0
98.20141	1.5
99.00885	5.3
99.04504	1.7
101.02441	26.2
102.02779	0.8
111.00883	2.9
111.04462	0.4
112.01667	1.4
113.02445	20.8
114.02013	0.3
114.02769	0.5
115.00429	0.3
115.04015	0.6
116.92869	1.9
119.03507	4.5
121.03010	0.3
124.01652	1.7
125.02448	5.3
129.01955	1.0
131.03513	0.7
135.98343	1.1
136.99139	0.4
137.02412	0.7
139.00391	0.3
142.02686	0.4
143.03484	3.9
143.10770	0.8
149.04523	0.3
159.02997	1.7
161.04597	4.4
177.62016	0.4
179.05470	0.6
197.15479	0.4
223.20728	0.5
272.37659	0.3
276.17490	0.3
283.22772	0.5
299.25900	0.9
345.30060	4.9
375.12695	0.9
386.69714	0.3
402.26971	0.3
489.34296	5.7
507.35376	8.5
508.35648	1.1
526.28601	0.4
531.15692	0.5
577.33368	0.5
579.19177	1.0
587.38300	0.4
596.29156	0.7
615.37213	1.5
651.39551	100.0
652.39929	16.1
667.32703	1.5
669.40643	60.5
670.40973	10.9
711.41882	23.2
712.31689	1.7
712.43036	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	711.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14180	0.4
53.14041	0.4
55.01893	0.4
59.01381	18.8
59.58262	0.4
61.98832	11.5
65.16694	0.4
71.01376	1.3
71.52602	0.5
72.28216	0.4
72.99299	0.4
73.84595	0.3
78.91899	1.0
83.05022	1.4
85.02950	100.0
86.03278	1.2
89.02435	0.7
93.03468	0.5
95.05030	1.6
95.75368	0.3
97.02999	0.6
99.04525	7.2
101.02413	0.5
107.05034	1.8
111.04517	1.0
113.06061	0.6
121.02960	3.9
121.06584	2.2
123.04578	0.6
123.08163	30.3
124.08488	1.3
125.02422	0.4
126.72535	0.4
127.04018	0.5
133.06595	2.4
135.04512	2.9
147.04520	1.0
149.05978	0.5
152.99637	0.5
161.09679	0.6
167.07144	1.8
169.22478	0.4
171.08157	0.4
173.09740	0.7
187.07530	0.7
187.11313	0.5
188.08412	0.4
189.09145	0.6
193.08730	1.0
198.06905	0.5
200.08437	0.5
213.09195	1.3
215.10768	2.2
230.09145	0.4
245.11812	2.6
253.21666	0.5
271.13385	0.6
277.21695	1.0
341.13721	0.5
349.14462	0.6
379.19339	0.7
381.17102	1.1
397.13617	2.7
407.18704	3.4
415.14471	0.8
421.19958	0.6
425.19540	0.7
439.21289	3.1
467.20682	2.6
479.24582	0.5
485.21857	1.1
499.23279	1.5
507.23566	1.3
511.27094	0.5
539.26520	0.7
549.24823	1.6
553.24286	3.7
585.26892	0.9
593.27747	2.1
594.27930	0.4
603.50751	0.4
625.29993	1.7
629.25873	0.9
635.28558	5.1
667.31158	1.6
679.27002	1.0
711.30194	21.5
712.30737	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	711.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97060	0.4
54.49265	0.5
57.75097	0.4
59.01378	18.8
60.92519	0.4
61.98828	4.2
68.99813	0.4
69.03442	0.6
69.40182	0.4
71.01522	0.5
81.03440	0.5
83.05021	1.6
85.02950	100.0
86.03279	1.5
87.17563	0.4
94.98067	0.5
95.05090	0.8
98.20399	0.7
99.04522	9.1
101.06067	1.9
103.52939	0.4
107.05022	1.5
111.04510	1.2
113.06055	0.7
113.30252	0.4
120.64975	0.4
121.02948	0.9
121.06567	2.1
122.03826	0.6
123.08163	31.7
124.08489	1.2
127.03987	0.6
128.03479	0.7
128.10916	0.4
128.90169	0.7
129.01892	0.9
129.05586	0.6
133.06572	2.1
135.04512	2.8
141.05568	0.5
157.06619	0.6
159.08083	0.6
161.09692	0.7
163.07663	0.6
167.07104	1.6
171.08154	0.7
173.09683	1.3
185.06241	0.5
187.07571	0.8
193.08638	0.9
200.08292	0.9
213.09161	1.8
215.10686	3.2
245.11700	2.2
325.06375	0.5
337.18091	0.5
341.13800	0.7
379.19177	1.1
381.17072	0.7
407.18469	3.1
421.20123	0.6
425.19537	1.1
439.21191	4.7
440.22018	0.6
449.97559	0.5
467.20831	3.0
479.24268	0.8
485.22113	1.0
499.23483	1.3
507.23630	1.7
511.27258	0.8
529.21222	0.6
549.24939	2.4
553.24261	2.7
571.54236	0.5
585.26819	2.3
593.27325	2.8
594.27106	0.6
625.30536	2.2
629.26447	0.9
635.28546	5.6
635.37872	0.7
636.29077	1.3
667.31329	1.7
668.31372	0.8
674.13208	0.6
679.26349	0.6
711.30249	20.0
712.31012	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	711.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11127	0.8
51.42031	0.8
59.01379	100.0
60.01723	0.9
61.98831	59.0
66.31415	0.9
69.15630	4.5
69.16064	5.0
71.01377	3.5
72.99316	1.2
75.00864	3.8
83.25122	0.8
85.02962	2.6
87.00861	2.3
88.40662	0.9
88.98822	1.0
91.20271	1.0
93.22891	1.0
96.95979	1.6
97.06591	1.2
99.00860	1.2
99.04521	7.1
101.02537	0.8
103.05495	1.0
107.05036	1.2
107.11641	0.9
111.04474	0.9
119.05073	1.0
119.08700	0.9
121.02957	10.2
124.19360	1.0
125.06055	1.5
133.10252	1.4
135.04559	1.9
136.99126	1.3
137.99538	1.0
143.04999	0.9
144.05785	1.3
147.04526	61.8
147.08109	1.4
148.04877	2.1
148.54800	0.9
159.08128	1.0
178.83788	1.1
209.11809	1.1
211.13445	1.8
309.40381	1.0
391.39624	1.1
429.19168	7.6
431.20654	1.8
485.21780	1.6
503.24207	3.1
518.17963	1.0
521.25562	3.5
537.26276	1.1
559.23505	5.2
561.24994	16.1
562.25104	2.8
577.24133	3.5
591.26013	9.1
592.26788	1.5
593.27686	10.2
594.28314	1.5
601.24316	1.6
609.28339	3.6
619.25732	4.2
621.26648	2.8
633.27136	9.3
634.27643	2.6
651.27869	5.1
669.29156	1.9
711.30060	23.7
712.31226	6.7
713.05042	1.2
722.94098	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00369	0.2
59.01382	3.5
61.98818	0.4
63.68153	0.3
71.01384	1.7
71.54520	0.5
73.02928	0.4
79.95731	4.6
80.77870	0.2
83.01418	0.2
85.02944	0.9
89.02449	1.7
93.03452	0.8
96.96011	78.2
98.95578	0.6
101.02433	1.2
103.03997	0.5
104.26660	0.3
104.94827	0.2
109.74016	0.3
113.02464	0.8
119.03514	0.7
119.05016	1.4
127.08270	0.3
129.01884	0.3
137.02451	1.2
149.44307	0.3
163.04050	1.0
164.30617	0.2
172.94106	0.3
179.05559	0.3
205.12367	0.4
265.09265	0.7
289.11151	100.0
290.11508	7.0
291.10986	1.2
291.76093	0.3
338.13000	0.3
497.20203	1.0
498.20361	0.6
531.18695	0.6
711.26208	1.1
712.24841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35558	0.3
57.94536	0.3
59.01384	18.3
60.01718	0.4
61.98830	6.8
71.01373	0.8
71.65189	0.4
80.20478	0.3
81.03445	0.5
83.05039	1.1
85.02953	100.0
86.03295	1.6
87.66666	0.4
88.98824	0.7
89.02461	0.4
95.05041	1.1
96.96015	4.9
98.00094	0.7
99.04520	4.1
101.02441	0.4
104.19990	0.3
107.05030	1.3
109.06556	0.4
111.04498	1.2
113.06104	0.8
121.02986	1.8
121.06609	2.4
123.08167	34.6
124.08500	1.4
133.06569	0.4
135.04526	3.6
147.04529	1.0
167.07156	1.4
173.09631	0.4
193.27231	0.4
314.05289	0.4
381.17047	0.4
389.50012	0.3
401.23413	0.4
407.18460	0.8
421.20267	0.4
439.21246	0.4
467.20798	2.5
468.21072	0.5
485.21933	1.3
519.11084	0.3
553.24463	6.4
554.24847	1.0
613.29742	0.9
629.25732	1.8
635.28589	5.3
636.29169	1.3
643.26062	0.4
648.29791	0.5
651.31439	0.4
667.31439	1.1
675.27863	3.3
676.29095	0.8
679.27332	4.0
680.28070	0.8
711.30280	13.6
712.30341	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	711.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22496	0.5
58.74228	0.6
59.01380	5.2
59.47322	0.6
61.35874	0.5
61.98831	28.0
62.04735	0.6
63.26701	0.5
69.18229	2.0
69.18650	3.6
71.01377	1.7
73.02939	1.0
75.00875	0.9
80.91702	0.6
83.05070	0.6
84.60899	0.5
85.02967	0.6
90.46224	0.5
93.03444	0.7
96.50861	0.5
97.02986	0.5
98.00114	2.8
99.04530	1.3
99.92728	0.5
101.02422	1.0
109.06558	0.9
113.02491	0.5
115.05543	1.8
119.05045	0.9
121.02959	100.0
122.03300	3.9
126.90412	2.8
131.05022	4.6
133.06573	2.8
135.04536	1.7
145.02939	1.8
147.04518	9.1
149.06165	0.6
157.06644	0.7
158.03725	0.9
159.04550	0.9
159.08122	1.1
167.07100	0.8
171.10257	1.4
177.05632	2.9
181.08749	0.6
183.13875	1.5
191.07120	4.5
191.08633	1.0
193.06609	1.4
193.10147	1.4
198.97244	0.5
199.07899	1.0
199.09776	4.3
203.07133	0.9
207.10271	2.5
209.09789	1.5
209.11769	0.8
211.13390	10.6
212.13672	1.1
225.11324	2.1
235.08200	1.0
237.09180	1.8
253.09297	1.4
258.09015	0.7
281.08197	38.2
282.08450	2.0
291.19635	1.1
299.50562	0.6
335.12964	0.8
393.17139	1.6
435.18750	1.1
447.22437	0.9
489.22778	3.2
577.24377	1.9
609.27209	1.3
611.29889	0.7
629.27386	4.9
635.26477	11.1
636.26807	2.0
648.28986	0.6
651.26874	0.8
655.33148	1.0
667.29053	14.8
668.29309	2.9
679.25452	4.1
711.28101	23.6
712.28552	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	711.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.7
61.98829	46.5
71.01389	0.8
73.02961	0.5
77.03982	0.5
79.37686	0.4
93.03436	0.5
98.20029	2.0
98.20722	0.7
99.04528	0.6
101.02449	0.4
101.06043	0.5
119.05054	0.6
121.02954	100.0
122.03293	3.3
128.03584	0.6
131.05025	0.5
133.06563	1.1
135.04514	1.1
145.02919	2.1
147.04514	2.2
148.04836	0.5
150.61610	0.4
181.63599	0.5
187.07516	0.6
192.08290	0.4
198.06841	0.4
199.07863	0.5
199.09743	1.0
199.72830	0.4
209.11723	0.6
211.13432	1.6
213.09195	0.7
235.08267	0.5
261.91086	0.4
277.21677	1.1
397.13315	1.7
415.14374	0.9
513.21973	0.9
549.25311	0.5
635.15753	0.7
635.26495	13.0
636.26910	2.9
667.29108	12.2
668.30042	2.7
679.25330	1.1
711.27863	21.1
712.28119	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	711.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	28.8
60.99295	1.5
61.98829	100.0
63.99253	2.4
69.02751	1.2
69.22633	11.3
72.99296	1.7
75.00877	1.4
83.77194	1.7
85.02970	3.6
88.98833	9.5
89.02444	1.9
96.95982	1.6
98.20663	3.2
99.04512	13.0
101.02461	1.3
107.05035	1.4
115.03937	1.6
117.07111	1.4
119.04984	1.7
121.02949	17.9
121.06599	1.8
131.05087	2.8
133.06581	5.0
135.04518	1.3
141.07118	1.9
145.06615	1.9
147.04520	41.5
148.04880	4.8
151.06706	1.3
161.06111	8.5
161.09711	1.6
171.04541	8.9
187.11250	1.4
187.46748	1.4
209.11649	1.6
211.13361	3.1
306.54919	1.5
318.98715	1.4
334.44516	1.3
383.23016	1.5
427.21045	5.2
551.25885	2.5
555.26385	1.8
557.25366	4.9
585.26801	2.5
587.28259	1.9
599.26563	8.6
600.25891	1.7
606.28082	2.3
631.29572	6.1
648.29144	14.0
649.29181	3.7
675.28088	60.3
676.28339	16.1
679.27643	2.1
711.30078	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	711.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.0
61.98829	7.0
71.52270	0.5
73.02953	0.5
76.04294	0.5
82.95387	0.6
93.03479	0.7
98.00096	0.6
99.04528	0.6
103.82361	0.6
105.47366	0.5
106.37104	0.5
119.05032	0.6
121.02956	100.0
122.03285	2.5
131.04987	1.0
133.06624	1.3
135.04573	0.9
145.02960	2.4
147.04558	2.9
149.06104	0.5
161.09804	0.6
191.07146	1.1
199.07631	0.8
213.09155	1.3
269.70389	0.6
281.08139	3.1
308.68591	0.5
353.34714	0.5
418.18448	0.5
627.20844	1.0
635.26520	13.8
636.27002	2.5
667.29120	14.0
668.29407	2.7
679.24890	0.7
711.28070	25.3
712.28296	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	711.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36521	0.4
52.89182	0.4
53.38495	0.4
55.01847	0.4
57.03444	0.6
58.00597	0.9
59.01378	23.0
60.32658	0.4
61.98833	1.6
65.03964	0.8
69.31278	2.2
69.31697	0.9
71.01381	13.7
72.99308	1.3
73.02950	1.3
83.01404	3.0
85.02946	3.8
87.00878	0.7
89.02441	11.0
93.03457	80.3
94.03797	2.1
95.01377	1.0
95.05007	0.7
96.96014	1.8
99.04485	0.5
101.02448	7.0
103.04031	0.7
104.16778	0.4
107.05035	0.4
111.00832	0.4
111.04462	0.4
113.02444	4.4
119.03496	4.2
121.06525	0.7
123.04491	0.5
125.02462	0.7
131.03499	0.5
135.04575	0.5
136.01759	0.4
137.02449	100.0
138.02757	2.6
143.03488	0.8
149.04527	0.5
151.04042	0.5
161.04529	1.6
161.09669	0.6
161.13371	3.1
179.05579	2.8
187.11292	6.0
199.10959	0.4
205.12325	3.6
213.09235	0.5
227.14159	0.5
229.12280	1.5
249.11307	3.7
255.10466	0.7
273.11206	0.8
289.11127	1.1
291.12418	1.0
299.07703	0.5
315.12250	1.3
333.13397	1.2
375.14734	0.6
393.15540	5.4
411.16275	0.9
487.19290	0.8
503.32047	0.6
531.18671	20.1
532.19049	3.0
573.21948	4.3
574.22534	0.4
667.31799	0.7
711.24786	22.9
712.25079	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	711.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81147	0.7
51.13167	0.7
56.84403	0.8
58.61626	0.7
59.01378	25.3
61.98829	100.0
62.75685	0.7
65.86065	0.8
68.99838	1.1
70.04063	0.8
71.01385	1.7
72.99347	0.8
85.02927	1.2
88.98791	3.6
95.05018	0.9
96.96028	1.1
97.06601	0.9
98.00117	1.7
99.04514	6.3
107.04990	0.8
112.98554	1.4
115.05546	4.1
119.05040	1.4
121.02969	7.0
122.03298	1.0
125.06150	1.2
141.07077	6.4
143.04988	2.4
145.06567	1.1
147.04518	10.8
147.08109	0.9
150.38087	0.8
155.08633	2.6
157.06570	3.6
159.08258	0.9
171.04500	2.5
171.10300	1.6
173.09740	1.0
183.04498	1.9
184.05254	6.8
185.06044	1.7
211.13417	2.3
218.10915	1.5
273.16501	2.1
289.15952	1.1
339.12753	0.8
413.19330	2.2
427.20963	1.2
445.33075	0.9
501.29895	2.2
513.26337	3.2
529.25641	1.9
543.25555	0.9
545.28882	2.9
551.26752	1.0
555.27563	5.2
557.25433	2.7
587.30353	3.9
593.82605	0.9
599.26172	6.5
600.26489	1.1
617.27570	0.9
631.29248	4.4
643.25201	3.6
644.25342	1.0
651.30450	1.7
670.89215	0.9
675.28046	77.5
676.28430	19.5
711.35779	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	711.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.2
59.01375	0.3
62.06089	0.2
65.65929	0.2
69.46704	1.8
71.01392	0.8
76.25316	0.2
79.52006	0.2
85.02949	10.6
87.26324	0.2
89.02467	0.3
101.02441	7.3
103.04009	5.9
115.00408	0.3
119.05004	0.3
129.01945	53.4
130.02283	1.0
133.02925	1.6
134.03786	1.8
135.04530	2.3
145.01448	0.5
147.03000	100.0
147.91812	0.2
148.03311	1.9
161.02409	1.7
163.02486	0.5
168.23393	0.3
178.02478	0.4
179.03511	5.8
180.03761	0.2
191.01938	0.5
193.05060	3.2
309.06174	8.8
309.09738	0.5
310.06537	0.8
519.14905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81593	0.5
51.83831	0.4
57.03444	0.7
58.00596	0.8
59.01378	23.2
61.98830	1.7
65.03960	0.6
69.03453	0.5
69.38058	2.9
69.87135	0.4
69.97838	0.4
71.01379	13.9
72.99304	1.6
73.02955	1.7
75.75762	0.5
78.21157	0.4
83.01380	3.0
85.02950	4.1
87.00890	1.1
88.98811	0.4
89.01913	0.2
89.02441	10.4
93.03458	78.2
94.03806	2.3
94.64572	0.4
95.01379	0.9
96.96027	2.6
97.02947	0.7
97.06612	0.4
98.19981	1.0
99.00913	0.5
99.04517	1.7
101.02446	6.9
107.05010	1.1
111.24361	0.5
113.02457	4.9
114.01944	1.0
119.03514	4.0
121.06653	0.6
125.02415	0.9
135.04559	0.7
137.02444	100.0
137.77917	0.4
138.02774	2.7
143.03522	0.9
149.04523	0.7
149.06027	0.5
161.04568	1.3
161.13370	3.5
163.04065	0.5
179.02179	0.6
179.05638	3.2
182.92860	0.4
187.11270	6.5
205.12306	3.8
211.11220	0.7
213.09056	0.6
227.10716	0.5
229.12283	1.0
231.10197	1.2
245.11774	1.1
247.13353	0.7
249.11356	3.2
265.09268	0.7
273.11295	0.8
281.06766	0.6
289.11172	1.3
291.12338	0.9
315.12344	1.6
328.98624	0.4
330.13950	0.5
333.13467	0.8
340.71301	0.5
349.16440	0.6
393.15475	5.4
411.16504	0.9
485.05276	0.6
487.19647	1.2
531.18695	20.4
532.18933	3.1
573.21838	6.1
574.21448	0.6
667.31750	1.1
711.24701	24.4
712.25208	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	711.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
57.03437	2.1
59.01376	4.7
71.01384	7.5
72.99309	0.7
73.02930	0.7
73.97062	0.6
83.01389	1.5
84.16650	0.5
85.02948	17.0
89.02456	1.1
93.03486	0.7
96.96012	2.5
101.02429	2.1
105.03500	0.6
108.02143	3.1
109.02975	3.1
111.00861	2.2
111.04587	0.5
113.02438	0.7
115.00351	1.7
119.05003	2.7
121.02943	1.6
122.03741	0.7
123.04501	3.1
124.01642	1.2
129.01942	3.7
131.05014	0.8
133.02948	1.6
134.03741	50.3
135.04129	1.2
137.02440	3.8
139.03976	2.0
147.02988	2.7
147.04501	8.4
148.05315	18.9
148.32799	0.7
149.06076	14.2
151.03957	0.9
153.01973	0.7
159.04485	1.7
160.05228	1.3
161.06050	5.5
162.03180	0.8
162.06842	2.1
163.04016	2.0
164.04736	1.0
175.07739	1.3
177.05542	0.7
178.02715	19.1
179.03088	0.7
191.01984	7.6
193.05054	43.3
194.05348	1.7
195.04564	0.8
197.06242	0.9
205.03452	1.6
207.06630	17.4
208.06966	0.7
209.03053	5.2
213.05620	4.4
223.04555	4.0
224.04713	0.8
227.07185	1.3
240.04291	2.6
241.05064	42.3
242.05342	3.2
255.06599	8.7
256.07391	36.9
257.07681	2.4
265.09113	0.8
267.06647	1.1
268.07303	0.9
269.08228	2.2
270.08969	8.3
271.09735	71.0
272.10019	4.7
283.09818	3.1
284.10562	8.2
285.10736	1.0
297.11261	1.6
299.12891	13.9
300.13196	1.1
337.15009	1.9
338.56442	0.7
343.07718	1.1
343.11841	21.9
344.12161	0.7
355.06631	1.3
385.07703	1.5
389.12384	0.9
399.08392	0.9
433.15060	1.1
505.17181	2.7
549.16351	2.8
711.21368	100.0
712.21545	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	711.1411
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
52.46952	1.1
55.20895	0.9
56.84926	1.0
59.01389	2.3
61.52509	0.9
63.02386	1.3
65.00325	3.7
70.40466	2.8
70.40816	1.6
71.01358	1.5
83.01392	1.5
83.59774	1.1
93.97483	1.0
96.96001	1.2
98.20499	1.4
101.02430	1.7
103.04009	1.2
107.01415	6.6
108.02026	1.0
109.02944	1.2
110.98811	1.0
121.02957	5.7
136.10947	1.0
148.01675	1.4
151.00359	31.1
151.01590	1.7
163.00366	2.1
169.01508	1.3
178.99866	14.3
180.00165	1.3
190.02463	1.0
193.05040	1.1
211.03925	1.3
226.02629	1.1
227.03563	2.0
243.03029	7.1
244.03693	1.2
245.04468	1.6
254.02205	1.8
255.02975	17.2
256.03378	1.3
264.64523	1.2
271.02472	40.7
272.02866	4.1
273.03998	1.6
299.02075	1.3
300.02744	92.1
301.03497	95.9
302.03815	6.2
321.15631	2.0
325.16980	0.9
329.38254	1.1
331.55856	1.0
377.19580	1.2
463.08798	25.7
464.09113	3.4
490.66852	1.0
505.09875	100.0
506.10236	13.2
534.69403	1.2
667.15063	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	711.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.3
57.29576	0.8
59.01375	5.5
61.98808	0.9
66.30042	0.8
67.68906	0.7
69.40109	6.1
71.01382	1.4
73.02944	1.4
83.01384	1.7
85.02945	6.8
87.00871	1.0
89.02433	0.9
96.96026	1.0
101.02439	3.2
103.04008	2.3
107.01392	2.4
109.02969	1.4
111.00858	1.5
113.02383	0.8
117.05642	1.1
119.03490	0.8
119.05063	1.0
121.34155	0.8
129.01938	8.1
133.02948	3.4
134.03740	7.6
135.04439	1.4
137.02457	2.3
147.02997	11.0
149.06059	3.1
151.00363	8.0
154.01477	1.3
161.02443	0.9
177.01866	2.0
178.02744	3.8
178.99794	2.0
192.26006	0.9
193.05045	16.5
199.03987	2.2
201.01904	1.3
201.56352	0.9
205.03476	2.2
215.03549	1.3
223.04558	2.6
227.03436	2.5
243.02959	3.9
254.02226	1.1
255.02878	2.3
265.09338	2.0
271.02463	54.1
272.02698	5.2
283.20120	0.8
287.36871	0.8
299.01953	100.0
300.02557	15.7
301.03500	34.2
302.03812	3.1
313.03452	1.1
349.39764	0.9
353.83072	0.8
355.10181	1.8
365.14474	4.3
462.01828	1.3
462.08014	20.4
463.08789	11.7
505.09851	12.4
506.10266	1.0
571.84308	1.0
625.13318	0.9
667.15118	99.0
668.15387	14.1
711.21594	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.2
61.98828	100.0
62.98520	0.1
70.07294	0.1
73.35801	0.1
121.02979	0.4
122.03284	0.1
691.34344	0.2
735.17609	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.2
60.01685	0.1
61.01810	0.1
61.98830	100.0
62.98529	0.1
71.51971	0.1
71.52334	0.1
77.87954	0.1
85.02951	0.1
93.85090	0.1
95.09962	0.1
121.02960	0.4
122.03324	0.1
241.29549	0.1
298.02661	0.1
323.10455	0.1
527.26886	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39441	0.4
57.03449	0.4
59.01379	9.9
61.11918	0.4
61.98829	100.0
68.71685	0.4
71.01411	1.0
75.00880	0.8
78.95921	1.3
82.17619	0.4
83.05011	1.0
85.02983	0.4
94.39619	0.4
95.05003	0.6
99.04517	7.6
100.04851	0.7
101.06093	0.5
103.05481	0.3
109.06626	0.4
119.05040	0.7
121.02945	2.3
123.04546	2.6
125.06071	0.5
133.06558	0.4
139.38550	0.4
145.06606	0.7
147.04515	23.2
148.04883	1.1
166.38428	0.4
171.10211	0.6
199.07661	0.8
209.11769	0.5
211.13228	0.5
213.09175	0.4
214.09634	0.6
215.10600	0.5
217.12222	0.5
413.23254	2.1
426.03674	0.4
428.21564	1.1
509.25470	0.9
510.25620	2.5
542.28357	0.6
567.08270	0.4
587.26337	1.8
592.29901	1.3
605.27600	11.0
606.28247	2.0
633.30756	1.2
634.30878	5.6
635.31012	0.9
646.36749	0.4
647.28571	59.5
648.29004	10.9
666.33405	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	710.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39441	0.4
57.03449	0.4
59.01379	9.9
61.11918	0.4
61.98829	100.0
68.71685	0.4
71.01411	1.0
75.00880	0.8
78.95921	1.3
82.17619	0.4
83.05011	1.0
85.02983	0.4
94.39619	0.4
95.05003	0.6
99.04517	7.6
100.04851	0.7
101.06093	0.5
103.05481	0.3
109.06626	0.4
119.05040	0.7
121.02945	2.3
123.04546	2.6
125.06071	0.5
133.06558	0.4
139.38550	0.4
145.06606	0.7
147.04515	23.2
148.04883	1.1
166.38428	0.4
171.10211	0.6
199.07661	0.8
209.11769	0.5
211.13228	0.5
213.09175	0.4
214.09634	0.6
215.10600	0.5
217.12222	0.5
413.23254	2.1
426.03674	0.4
428.21564	1.1
509.25470	0.9
510.25620	2.5
542.28357	0.6
567.08270	0.4
587.26337	1.8
592.29901	1.3
605.27600	11.0
606.28247	2.0
633.30756	1.2
634.30878	5.6
635.31012	0.9
646.36749	0.4
647.28571	59.5
648.29004	10.9
666.33405	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	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
59.01375	4.6
60.44059	0.4
61.98829	100.0
62.98523	0.4
71.01382	3.2
71.36893	0.7
71.99160	0.4
73.02965	1.0
76.68993	0.4
78.95908	6.1
81.03455	0.6
83.01431	0.7
83.05035	1.1
85.02956	1.0
87.00890	1.4
89.02458	1.3
92.42680	0.5
95.05009	1.0
96.96975	0.8
97.06585	4.8
101.02460	2.8
113.02467	1.7
125.09718	0.5
127.11286	0.4
145.05070	0.8
149.09615	0.5
151.11285	10.5
152.11632	0.7
152.99586	8.7
153.00818	0.5
161.04597	1.4
169.12334	33.1
170.12698	1.4
171.00679	0.7
184.09369	0.4
193.78815	0.4
195.10278	2.6
201.11333	8.9
202.11684	0.5
205.93346	0.5
209.11813	10.3
210.12160	0.5
213.11317	3.8
227.03418	0.7
227.12891	0.9
235.08247	0.9
245.14128	0.5
253.09344	1.7
253.21852	1.0
277.21710	39.1
278.22058	4.0
279.23068	0.4
381.13287	0.7
431.19281	1.3
449.20422	2.0
455.16907	1.4
473.17883	6.4
474.18143	0.6
691.38104	1.0
709.41290	76.6
710.41602	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	710.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.4
61.98830	100.0
62.98552	0.3
69.56750	0.2
70.54266	0.6
71.01391	1.0
72.99310	0.4
73.02937	0.3
74.99135	0.2
75.00880	0.7
78.95936	0.3
79.95737	0.2
81.56854	0.2
85.02940	3.8
88.98808	0.3
89.02456	0.3
96.96009	6.1
96.96619	0.3
99.00854	0.2
99.04509	1.2
100.04864	0.2
101.02458	0.4
107.05055	0.3
111.04507	0.3
113.02472	0.3
121.02930	1.2
122.03354	0.2
133.06699	0.2
135.04570	0.4
137.06093	0.2
138.81288	0.2
147.04573	1.4
148.04916	0.2
154.47313	0.2
167.07220	0.3
191.50346	0.2
202.36975	0.2
209.11893	0.4
216.03015	0.2
310.11017	0.2
345.43378	0.2
348.22610	0.2
474.26291	0.2
529.24573	0.3
561.25867	0.6
571.25354	2.1
572.25995	0.5
593.27942	0.5
603.27936	2.2
604.28815	0.3
608.28937	0.2
633.27252	0.5
650.29248	0.2
660.26208	0.2
668.31702	0.7
692.29767	0.4
710.33368	2.4
711.33423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94725	0.5
57.03445	1.2
59.01374	5.8
61.98829	19.8
67.20889	0.4
67.52808	0.4
70.58886	1.4
71.01387	5.1
72.99305	0.7
73.02946	1.4
76.35870	0.4
78.95897	4.8
83.01392	0.6
83.05022	1.0
85.02952	1.3
87.00885	0.5
89.02446	3.7
95.01393	0.5
95.04991	0.6
97.06573	3.5
101.02439	3.2
102.78567	0.5
113.02433	1.7
113.52325	0.4
119.03477	0.6
133.10330	0.4
151.10106	0.9
151.11281	12.5
151.12495	0.6
152.11508	0.6
152.99571	8.1
161.04510	1.5
166.09982	0.4
169.12337	88.2
170.12691	4.3
190.78404	0.4
195.10243	1.5
201.11316	8.5
202.11687	0.6
204.65404	0.5
209.11829	8.9
213.11305	8.9
214.11685	0.5
227.03325	0.8
227.12810	0.6
235.08255	0.8
237.11314	0.8
253.09341	2.5
253.21767	1.0
277.21713	20.2
278.22040	2.0
294.26782	0.4
337.89963	0.4
381.12961	0.6
410.68762	0.4
421.04401	0.5
431.19055	2.1
449.20343	5.6
455.16895	1.8
473.17902	7.5
661.91248	0.5
691.38190	1.8
709.41437	100.0
710.41827	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	709.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.98829	8.2
63.30746	0.3
63.96235	1.3
63.99246	0.8
69.03455	0.8
70.18578	1.0
71.01015	0.4
71.01385	6.4
73.02949	1.9
78.98587	5.4
79.95354	0.2
79.95732	12.5
80.96515	66.0
81.03470	0.3
83.01427	0.3
84.18616	0.2
85.02941	2.0
87.00868	2.9
94.98086	14.9
95.01405	0.4
96.96019	1.3
97.02958	1.7
99.00885	0.5
101.02431	2.0
106.98090	2.8
113.02460	0.5
115.92058	0.3
122.97578	3.2
125.02452	2.5
127.04025	1.0
129.73616	0.3
134.06657	0.3
134.97578	4.2
136.99191	1.6
146.97549	0.3
148.99132	4.7
152.97491	0.4
152.98633	5.3
164.98624	10.0
167.00217	0.3
171.10271	1.9
179.00084	0.4
205.04401	0.3
206.99693	2.8
212.18036	0.3
225.00731	16.4
226.01117	0.5
255.23267	1.6
279.23074	0.6
283.04877	0.3
292.82135	0.3
345.81317	0.3
453.14328	3.3
470.47424	0.3
537.27509	1.1
709.38342	100.0
710.38660	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	709.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17161	0.3
56.85218	0.4
57.03469	0.7
58.00611	0.8
59.01379	9.4
59.01641	0.6
61.41258	0.4
61.98832	4.9
62.97707	0.4
69.44418	2.0
71.01380	5.6
71.01730	0.5
72.99297	0.6
73.02951	2.0
75.00881	0.3
80.02705	0.9
81.03485	0.8
83.00404	0.4
83.01358	0.8
83.05025	4.2
83.05411	0.4
84.02169	0.6
84.60654	0.4
85.02956	2.5
87.00910	1.4
88.98838	1.2
89.02451	4.1
91.53075	0.3
95.01401	0.7
95.05036	0.9
96.96009	5.8
96.96506	0.4
97.06606	0.4
98.95592	2.4
98.96462	0.7
99.04543	0.4
99.92638	1.2
101.02430	4.4
103.04007	0.4
108.02182	0.4
109.02934	0.6
113.02444	2.1
115.92075	2.4
116.92854	5.3
119.03506	0.8
122.06138	0.5
125.02470	0.6
125.09739	1.8
127.11309	2.6
129.01932	0.5
135.04533	0.7
135.08125	0.5
137.09782	0.5
143.03464	0.8
145.05113	0.7
147.04521	0.5
155.10768	1.1
161.04591	1.6
163.11273	2.7
165.09225	1.1
165.12865	1.1
171.10257	2.7
175.02574	0.6
179.05649	1.0
183.10356	0.5
188.03627	0.7
191.10738	0.9
199.09737	0.8
201.11319	59.9
202.05075	0.4
202.11699	3.0
209.11815	100.0
210.12199	5.2
227.12872	15.2
235.08232	5.1
253.09294	14.3
254.09647	0.7
293.14011	0.5
294.14743	0.4
367.21481	0.4
375.21771	1.1
393.22690	1.1
411.23581	0.6
419.19043	1.1
437.20313	5.4
438.20572	0.7
445.20715	5.8
446.21078	1.0
463.21591	0.7
532.40204	0.4
544.34741	0.4
561.23022	0.4
611.30359	0.8
621.30927	1.2
629.31226	1.2
637.32269	0.6
643.76910	0.5
649.38068	1.1
659.22186	0.6
665.37280	1.2
667.38593	0.5
709.25989	3.1
710.26605	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	37.5
61.98539	2.1
61.98828	28.8
70.52448	3.7
71.01370	3.3
75.00857	2.5
76.38565	1.3
78.95894	2.6
96.24964	1.1
98.20129	2.7
103.00369	4.2
108.54012	1.2
118.80881	1.1
119.04989	1.9
119.79520	1.4
120.74174	1.0
121.02937	5.9
122.03261	1.3
147.04520	100.0
148.04825	4.1
152.99651	1.5
171.10249	1.6
183.13979	2.6
186.51926	1.2
199.09744	3.9
209.11781	2.4
211.13409	10.2
225.11320	1.8
235.08243	1.5
349.21994	1.3
415.25049	1.9
459.23630	8.7
545.29340	7.3
589.28040	19.5
590.28314	3.8
607.28955	16.7
608.29327	2.5
649.29956	6.2
650.30023	1.9
704.78632	1.5
709.16687	1.5
710.16223	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	709.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62172	0.4
59.01380	37.1
60.67589	0.4
61.98833	5.6
67.68502	0.4
71.52943	0.5
78.91882	0.4
86.97905	0.5
93.03427	0.5
96.96030	0.7
99.04477	0.5
116.92840	0.8
121.02958	100.0
122.03292	3.1
249.41013	0.4
279.23657	0.5
296.30640	0.5
442.25790	0.5
529.25610	0.7
547.26984	36.9
548.27460	5.9
565.27966	1.9
589.28003	2.8
607.29187	10.3
608.29700	1.6
649.29950	1.7
667.09589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
68.94563	0.3
78.75397	0.3
80.96523	0.4
85.92672	0.3
122.35154	0.3
134.78310	0.3
140.41772	0.3
153.69135	0.3
197.51546	0.3
207.44261	0.2
212.47995	0.3
247.55530	0.3
302.91046	0.3
682.53827	0.3
709.38623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
60.09805	0.2
61.98830	100.0
78.95901	0.2
80.96528	0.6
85.27802	0.2
97.38512	0.1
98.20778	0.3
123.36778	0.2
140.84798	0.2
152.99623	0.3
179.61720	0.1
184.86551	0.1
225.00677	0.2
250.61435	0.2
255.23245	0.2
684.72156	0.2
691.38745	0.3
708.38141	0.2
709.38373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68493	0.6
59.01378	39.1
60.99303	3.8
61.98830	16.4
63.90386	0.6
71.01379	1.5
71.54502	1.2
72.99306	4.7
83.01357	0.6
85.02949	1.4
87.00876	8.8
88.98809	15.4
89.02473	0.8
99.04530	1.1
111.04520	1.1
121.02956	1.1
147.04546	2.7
151.11227	0.8
175.21429	0.6
186.47771	0.6
209.11809	1.3
277.14468	1.2
278.15192	1.8
297.22314	1.8
404.00504	0.7
411.25400	1.0
421.16220	0.7
421.75305	0.9
429.26443	9.9
430.26706	2.2
441.25763	0.9
453.26352	0.9
471.27484	100.0
472.27762	17.0
515.26501	1.3
533.27710	4.2
575.28687	2.8
619.27606	3.7
649.27173	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98831	92.3
70.75539	9.2
71.53075	12.0
78.95871	13.2
80.01655	9.6
96.78879	9.3
96.96015	12.2
105.21638	10.7
121.02951	26.7
150.87843	11.0
187.94115	11.1
197.11752	14.5
208.82047	8.4
279.23303	15.4
615.85419	10.3
709.27240	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	709.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61633	0.3
58.03546	0.3
59.01379	16.2
61.98830	17.8
69.17834	3.4
71.01382	1.1
72.99285	0.4
73.02950	0.4
75.00866	0.5
77.03954	0.4
79.05524	0.4
83.05040	0.4
85.02955	1.3
87.30188	0.4
93.03470	1.2
95.05041	0.3
97.02952	0.5
98.20298	1.9
99.00894	0.4
99.04522	0.9
101.02445	0.6
103.03986	0.3
108.19553	0.3
109.06593	0.6
110.48429	0.3
115.00368	0.3
119.05027	0.9
121.02954	100.0
122.03284	3.5
125.06062	0.5
133.06577	1.1
135.04518	0.8
146.43011	0.3
147.04512	3.2
158.03769	0.5
161.09753	0.4
171.08185	0.4
173.09692	0.6
178.18546	0.4
187.11292	1.3
195.08192	0.3
236.08305	0.4
237.09259	0.3
239.07118	1.3
254.13123	0.8
255.13995	0.4
264.90005	0.4
291.13785	0.4
295.69003	0.4
408.59589	0.3
427.21521	0.4
487.24380	0.5
505.25882	1.5
511.23276	1.0
513.22144	0.9
527.22595	0.5
531.16364	0.5
531.23907	6.2
532.23804	1.2
535.25574	2.3
536.26031	0.4
537.25024	0.4
549.24945	25.4
550.25195	4.8
573.24860	1.9
581.23529	2.0
587.25507	1.1
588.26166	0.5
591.25958	19.3
592.26300	2.9
613.26172	0.7
615.25970	4.5
616.26434	0.6
617.30127	2.3
618.29657	0.4
633.17535	0.4
633.27136	6.8
634.26941	1.8
635.24701	1.1
646.29382	0.4
649.26099	0.6
659.24774	1.0
677.26044	6.6
678.25928	1.4
691.27655	0.7
709.28473	11.4
710.28320	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	708.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
61.98828	100.0
62.98540	0.1
68.99570	0.2
70.83455	0.2
71.01379	0.3
73.02961	0.1
78.95907	0.9
85.02948	0.1
89.02459	0.2
89.88409	0.1
101.02435	0.2
112.98640	0.1
113.02474	0.1
150.98076	0.1
151.11279	0.2
152.99568	1.3
163.11229	0.1
169.12317	1.3
170.27332	0.1
201.11333	0.9
209.11835	1.1
211.13351	0.1
213.11366	0.2
225.11522	0.1
227.12953	0.1
232.69612	0.1
253.21745	0.2
277.21707	1.8
277.24429	0.2
278.22043	1.1
279.22775	0.2
369.19250	0.3
387.20248	0.2
388.20642	0.2
394.19373	0.1
429.15515	0.1
455.16934	0.2
473.17865	0.9
689.97235	0.1
691.38373	0.2
708.38611	0.3
709.40277	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	708.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
70.60853	0.3
70.61201	0.8
71.01388	1.1
78.98599	0.8
79.95727	2.4
80.96512	12.1
85.03000	0.3
87.00893	0.4
94.98080	2.4
101.02436	0.5
102.20567	0.3
106.89584	0.2
106.98117	0.4
122.97585	0.5
125.02479	0.6
127.03949	0.3
134.97572	0.6
136.99146	0.3
148.99181	0.8
152.98679	1.2
153.24571	0.3
164.98599	2.2
167.83153	0.3
206.99712	0.9
222.22794	0.3
225.00690	2.9
255.23364	0.3
291.06226	0.3
445.32507	0.3
453.14444	0.7
517.22174	0.3
709.38312	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36707	0.1
56.23973	0.1
59.01377	2.0
61.98830	100.0
62.99295	0.1
63.99252	0.3
68.91212	0.1
70.36661	0.4
71.01396	0.3
73.88445	0.1
78.95901	0.3
83.05042	0.1
85.02947	0.3
88.98795	0.2
89.02408	0.2
90.97812	0.1
96.96054	0.2
98.20389	0.2
99.04504	0.7
101.06089	0.2
117.97965	0.1
119.05025	0.2
121.02956	2.0
147.04517	1.2
148.04941	0.1
207.10304	0.1
208.10454	0.1
209.11966	0.2
211.13463	0.2
220.23982	0.1
377.23706	0.1
400.28912	0.1
440.66425	0.1
549.25250	0.2
591.26532	0.1
593.26764	0.1
594.26550	0.1
613.37170	0.1
617.26294	0.2
645.26276	0.2
661.99408	0.1
708.35944	1.0
709.28668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36771	0.1
58.57267	0.1
59.01381	3.1
60.89698	0.1
61.98830	100.0
71.01391	0.6
71.28738	0.2
73.02946	0.2
75.00882	0.2
78.95901	0.7
85.02982	0.1
86.72768	0.1
97.50889	0.1
99.04526	1.9
109.06586	0.2
121.02957	1.0
147.04529	4.0
148.04858	0.4
152.99646	0.2
155.10912	0.2
163.11266	0.2
171.10260	0.3
183.13988	0.2
199.09735	1.1
201.11349	0.3
207.10287	0.7
209.11806	0.6
210.12189	0.2
211.13383	1.4
225.11327	0.4
253.09248	0.1
375.21811	0.2
435.18671	0.2
447.21985	0.2
461.20596	0.2
523.29199	0.2
605.33649	0.2
606.33936	0.2
611.30780	0.2
629.32471	0.3
637.32648	0.2
655.33423	0.3
708.26239	0.3
709.32269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19014	0.1
59.01374	1.7
60.01732	0.1
61.98830	100.0
62.98534	0.2
62.99234	0.1
67.25212	0.1
71.01380	0.1
76.45803	0.1
76.99294	0.1
89.23013	0.1
105.35024	0.1
121.02980	0.3
122.03333	0.1
179.19139	0.1
374.42700	0.1
453.02405	0.1
531.75281	0.1
615.97137	0.1
735.55328	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.7
61.98829	100.0
64.40261	0.2
69.16943	1.8
69.17334	0.2
71.01390	0.6
72.86878	0.2
73.02950	0.2
83.85824	0.2
88.98816	0.2
92.74082	0.2
98.20606	0.7
99.04531	0.9
101.06076	0.8
102.06415	0.2
121.02953	1.4
147.04503	0.9
171.10309	0.6
180.58698	0.2
209.11848	0.6
226.95418	0.2
229.17723	0.2
239.23970	0.2
285.49283	0.2
345.67294	0.2
527.23883	0.2
528.23175	0.2
531.24103	0.2
569.26721	0.3
598.27399	0.2
613.26849	0.3
626.30170	0.5
630.30084	1.0
631.29523	0.2
645.29211	0.4
646.29010	0.2
653.35864	0.2
708.31812	0.3
709.27368	0.2
709.34009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60757	0.2
59.01381	8.2
61.98829	100.0
62.98524	0.3
67.23785	0.2
67.54317	0.2
71.01380	0.4
83.05061	0.4
85.02947	0.3
88.98826	0.3
89.29641	0.2
90.22765	0.2
99.00909	0.3
99.04520	1.1
101.06081	10.5
107.05031	0.4
111.04502	0.4
121.02985	1.0
127.04054	0.2
133.06613	0.6
135.04546	0.4
147.04510	2.7
151.07718	0.3
171.08221	0.3
185.09715	0.2
213.09200	0.4
214.92102	0.2
215.10872	0.3
245.11887	0.2
306.63947	0.2
425.19885	0.5
428.61621	0.2
440.28943	0.3
443.20441	0.3
467.20383	0.3
505.58105	0.2
517.24695	0.5
527.25635	0.3
633.27582	0.4
645.29156	12.5
646.29492	2.3
648.28638	0.4
677.28107	0.6
708.26526	0.3
709.30286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21792	0.2
56.10556	0.2
57.03447	0.6
59.01380	6.4
61.98830	100.0
63.99222	0.3
71.00725	0.2
71.01408	0.5
73.02956	0.2
76.58268	0.2
88.98810	0.5
89.75396	0.2
90.46490	0.2
99.00914	0.6
99.04527	0.7
101.02446	2.1
101.38525	0.2
102.02802	0.3
102.07474	0.2
107.04999	0.3
121.02961	2.2
129.26810	0.2
135.04555	0.5
142.75751	0.2
147.04512	2.5
148.04935	0.6
149.06050	0.3
193.05182	0.3
295.76706	0.2
325.35931	0.2
350.54123	0.2
384.53622	0.2
422.54062	0.2
527.23169	0.3
552.23425	0.3
595.24994	0.3
601.26459	0.3
602.24823	0.3
619.25726	0.3
620.25983	0.2
628.26556	0.7
645.25812	2.2
646.26740	0.7
651.28265	0.3
659.24817	0.3
664.24707	0.5
672.25208	0.2
690.26422	0.5
691.27179	0.5
708.27179	0.5
709.29163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33750	0.1
57.03436	0.4
59.01381	5.3
61.44920	0.1
61.98830	100.0
62.98542	0.3
63.78146	0.1
63.99255	0.4
66.03699	0.1
69.60923	0.2
71.01398	0.4
85.02983	0.2
88.98819	0.4
99.00896	0.3
99.04529	0.6
101.02440	0.7
109.32393	0.2
121.02957	1.2
130.65007	0.2
147.02168	0.2
147.04514	1.2
485.22110	0.3
527.22754	0.2
549.25470	0.2
552.23871	0.2
569.24609	0.2
595.25818	0.4
628.25934	0.2
645.25891	1.7
646.26947	0.5
691.27972	0.3
709.28864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01715	1.0
61.98822	1.9
65.00761	0.3
67.35305	0.2
69.79160	0.3
71.01390	2.4
78.95908	0.3
96.96000	0.3
209.11894	0.9
210.12198	0.6
211.13429	0.9
229.62930	0.3
231.38217	0.3
234.11671	0.2
277.21759	1.9
278.22043	0.7
279.23260	0.4
446.55646	0.2
490.34152	0.3
505.58444	0.3
707.27618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
59.01377	100.0
60.01708	1.0
61.98830	30.5
68.99831	0.4
69.03435	0.7
71.01378	7.9
71.54271	0.5
72.99318	0.7
73.02942	2.3
75.00890	1.3
78.95885	0.4
79.05540	0.4
80.91608	0.4
80.96524	0.9
83.01391	1.0
83.05048	0.6
85.02950	6.3
86.00111	0.7
87.00876	1.8
87.04512	0.8
88.98817	2.1
89.02456	0.8
96.01706	0.3
96.96020	0.7
97.02943	1.0
99.00894	1.3
99.04508	3.8
101.02438	5.1
101.06091	3.1
102.15314	0.4
103.16315	0.4
103.92519	0.3
107.04985	0.5
109.03005	0.4
109.06574	0.4
111.04518	0.7
113.02435	2.8
114.71069	0.3
115.00430	0.8
116.92896	0.5
119.08695	0.3
121.02957	2.1
121.06636	0.4
123.04557	0.5
123.08117	0.5
125.02464	0.3
129.01949	0.5
135.04564	0.4
143.03503	0.5
147.04581	1.6
159.03036	1.0
161.04556	7.3
163.07747	0.4
171.10326	0.6
176.04788	0.4
201.11331	0.6
207.10280	0.5
209.11806	1.9
211.13438	1.5
225.11371	0.4
227.12999	0.5
329.52957	0.4
347.22421	0.9
373.20178	0.5
389.19443	0.4
415.21094	0.6
431.20847	0.8
433.22256	1.6
455.20554	0.6
455.31906	1.4
473.21777	3.3
475.23489	0.5
485.32730	0.7
497.22409	0.9
515.22614	2.2
557.34869	0.8
581.26508	1.2
582.26050	0.5
603.28760	0.9
615.27423	0.8
623.26886	3.2
624.27875	0.7
626.30316	0.6
629.28589	0.4
645.28522	0.5
647.37939	8.5
648.38605	1.4
663.34161	0.6
707.32489	10.5
708.32745	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23258	0.3
55.01854	0.5
57.03429	0.7
58.00579	1.2
59.01379	33.3
61.98821	0.8
62.48904	0.3
71.01382	18.7
71.09206	0.8
72.99306	1.6
73.02945	0.5
81.64828	0.3
83.01373	1.0
85.02947	5.4
87.00867	0.8
88.03999	0.3
89.02444	22.7
94.78981	0.3
95.01376	1.4
96.95997	1.6
97.02928	0.4
99.00920	0.4
101.02439	14.8
113.01716	0.6
113.02451	7.0
117.99664	0.3
119.03500	9.7
125.02415	0.4
129.01929	0.7
131.03531	0.6
135.04512	0.6
137.02408	0.5
141.09196	2.2
143.03494	0.8
149.04570	0.8
159.10252	1.6
161.04533	0.9
164.32849	0.3
179.03458	0.3
179.05637	0.6
191.02048	0.6
265.09192	0.5
280.11340	0.4
305.10590	0.4
321.15527	100.0
322.15912	7.2
335.12720	0.4
383.68225	0.3
385.11469	1.4
663.19568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08021	0.2
54.21709	0.2
55.01874	0.4
57.03450	0.5
58.00591	1.2
59.01380	33.6
60.01719	0.5
60.55647	0.2
61.98821	0.5
70.36832	0.2
71.01382	19.7
71.12630	0.2
71.53958	0.4
72.01727	0.3
72.82234	0.3
72.99307	1.2
73.02953	0.7
75.00913	0.3
82.31857	0.2
83.01385	1.1
85.02950	4.6
87.00871	0.7
89.02446	22.3
90.02770	0.3
90.40747	0.2
93.03428	0.3
95.01376	1.3
96.95988	1.2
98.20142	0.3
99.00850	0.3
100.43036	0.2
101.02442	14.7
103.04050	0.4
113.02451	8.0
113.09750	0.4
119.03503	9.1
125.02465	0.3
126.18952	0.2
127.22149	0.2
127.90374	0.3
129.01920	0.5
131.03522	0.4
135.04553	0.6
137.02455	0.7
138.01897	0.4
138.05600	0.7
141.09210	2.7
143.03493	0.5
144.50296	0.3
149.02492	0.2
149.04576	0.9
159.10271	1.0
161.04527	0.5
179.03500	0.3
179.05609	0.9
191.01967	0.3
249.56749	0.2
265.09241	0.7
273.15652	0.3
305.10477	0.4
321.15533	100.0
322.15857	7.7
385.11530	1.4
423.43988	0.2
433.01187	0.3
466.82147	0.2
579.19623	0.3
610.13184	0.3
708.42712	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01703	1.0
61.98832	10.1
69.44695	2.9
69.45890	0.4
70.45993	0.4
71.01382	0.8
75.00893	2.1
78.91902	1.0
78.95918	1.4
80.89847	0.5
83.05053	1.1
96.95996	0.5
99.04518	0.9
121.02961	27.7
122.03291	1.0
136.03606	0.5
147.04507	3.2
209.11848	0.8
225.11438	0.5
233.59564	0.5
277.21472	0.5
335.08096	0.5
439.21844	0.6
563.26508	37.5
564.26910	7.2
603.26257	0.9
605.27563	13.9
606.27924	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	707.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86485	1.3
52.83562	1.1
55.01872	1.6
57.03448	1.8
57.33548	1.2
59.01381	84.2
60.99311	1.1
61.98833	36.3
67.01938	1.4
69.03473	1.3
71.01390	18.6
71.05067	1.7
71.54005	1.3
71.92226	1.3
71.92618	1.2
72.99319	4.7
73.02945	12.5
75.00880	5.3
83.01395	3.4
83.05026	3.9
85.02950	9.6
87.00881	2.9
88.98807	9.8
89.02444	5.4
95.05033	1.9
96.96028	9.1
97.02959	3.7
97.06606	9.9
98.95591	1.2
99.00897	3.2
99.04520	100.0
100.04877	2.9
101.02417	6.8
105.78715	1.2
107.05025	1.9
109.06585	2.0
111.04521	2.5
113.02457	3.0
113.06137	1.9
115.04021	1.6
116.92825	1.9
118.98125	1.6
119.03542	1.3
119.05074	1.4
120.99593	1.6
121.02979	2.9
121.06627	1.7
123.04485	2.6
123.08115	1.6
125.06052	1.6
136.07700	2.0
137.06064	1.8
138.03348	1.8
139.07687	2.1
141.05586	2.9
143.03519	1.2
149.06108	1.6
149.09740	2.0
154.06331	2.3
161.04610	1.8
161.05992	1.8
161.74739	1.3
171.10295	7.2
175.07721	1.8
189.05672	1.6
189.09189	1.9
195.59711	1.2
199.13631	1.6
201.11339	5.7
207.10197	3.8
209.11862	13.3
225.11356	3.2
227.12930	1.9
230.70981	1.2
233.98470	1.2
236.10667	1.5
250.41685	1.3
253.09346	1.7
335.12488	4.3
375.18256	3.2
389.19638	2.3
391.21313	7.9
405.19064	5.8
415.16971	1.4
417.18939	1.6
421.22183	2.4
431.20416	4.0
433.18314	2.0
435.20160	1.7
447.20203	5.4
449.21835	9.0
455.20520	3.4
475.19003	6.3
489.21552	4.8
491.22794	5.4
503.26370	3.7
513.24786	2.0
515.22699	2.8
517.20734	24.3
518.21252	2.7
527.26556	2.6
531.25964	5.4
532.26648	2.1
533.23981	30.3
534.24255	4.4
545.27350	2.1
547.25415	3.6
549.23895	4.5
555.26019	13.7
556.26929	1.9
565.26532	10.1
573.27075	14.0
597.27325	7.5
609.13928	1.6
615.28070	62.4
616.28400	9.3
629.29657	5.0
647.30396	7.9
648.31757	1.6
663.33868	4.9
689.33124	3.7
707.28564	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	707.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59228	1.0
59.01379	73.7
61.98827	9.1
69.20343	9.5
75.00881	2.0
78.95879	4.7
83.05012	1.4
85.02989	1.2
98.20663	2.4
121.02956	100.0
122.03272	2.6
152.99585	3.0
186.20781	1.1
209.11781	1.9
275.98962	1.1
293.21121	1.4
359.30487	1.0
371.61234	1.0
387.78357	1.1
439.21957	1.2
523.41760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01707	1.2
60.97336	0.1
61.98838	1.0
64.92905	0.1
74.95112	0.1
83.05046	0.6
121.02956	14.6
122.03336	0.3
234.15289	0.2
284.04678	0.2
365.18008	0.2
465.22656	0.4
506.10040	0.2
512.59094	0.2
561.24884	1.3
562.25574	0.3
587.26489	0.9
605.27570	1.6
605.35376	0.2
606.28888	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04672	0.2
59.01379	16.6
61.98831	1.3
70.96812	0.2
71.53646	0.3
78.95911	0.6
80.51843	0.2
83.05031	1.1
85.02957	0.4
93.03481	0.3
95.05030	0.3
99.04517	0.5
109.06573	0.3
111.04548	0.2
113.06100	0.4
121.02958	100.0
122.03288	3.3
129.34500	0.2
152.07076	0.2
152.99606	0.3
256.35480	0.2
275.14734	0.2
277.21884	0.2
407.18597	0.3
421.20261	1.2
422.20734	0.3
436.53009	0.2
439.21216	0.9
447.21811	0.2
453.22894	0.8
481.22223	1.6
482.22360	0.3
551.48560	0.2
561.25214	0.2
569.25452	0.2
587.26373	0.5
603.26447	0.4
629.28052	0.5
647.28363	1.2
648.28638	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21967	1.2
58.41712	1.1
59.01381	69.7
60.32491	1.2
61.98831	94.5
66.31438	1.3
68.99802	2.4
69.03454	2.8
69.15500	4.8
69.15923	7.1
71.01385	13.9
73.02946	2.7
74.41187	1.1
75.00861	4.4
78.95930	1.3
79.05535	3.6
81.03475	3.0
83.01385	2.0
83.05019	6.9
85.02956	2.3
93.03454	5.6
93.16164	1.2
95.05029	3.8
97.02916	1.5
98.19833	2.8
99.00883	47.5
99.01544	2.8
99.04529	18.7
101.02473	2.1
107.05025	2.6
108.02125	1.7
109.02976	2.7
111.04510	7.7
116.92830	1.9
119.05061	3.5
119.08662	1.2
121.02959	78.6
121.06622	6.8
122.03280	3.2
123.04544	6.2
123.08166	2.7
131.05038	2.1
133.06616	3.3
135.04471	6.7
137.02426	4.4
137.06068	2.2
139.03970	2.2
145.06575	2.8
146.09966	1.3
147.04521	66.0
147.08089	2.0
148.04903	4.0
149.06076	5.9
151.04063	1.7
151.07603	2.4
155.03484	1.3
157.06604	1.7
159.04469	2.2
159.08160	2.3
161.06041	4.3
163.04028	1.4
165.05516	1.7
167.07162	1.6
171.04570	7.7
171.10277	1.6
173.06058	1.3
175.07605	1.8
177.05496	1.9
179.07083	1.3
183.08133	1.7
185.06061	1.3
187.07545	1.7
189.05478	1.3
194.05849	1.9
201.09265	2.1
201.11357	2.2
203.07112	1.8
207.10289	1.7
209.11835	2.6
211.07628	2.2
212.08406	1.3
213.09041	2.0
215.10759	2.2
225.11156	1.4
227.10732	4.0
239.10970	1.4
241.43842	1.2
242.45558	1.3
255.10228	2.8
261.12909	1.3
288.30347	1.2
303.70493	1.4
343.11713	2.2
343.95776	1.2
359.18900	1.6
371.11682	1.5
389.12360	11.7
390.12912	1.3
401.19629	1.3
413.20044	1.5
427.21582	1.6
429.19260	1.5
431.20889	2.2
445.18408	1.5
448.31546	1.3
457.18689	2.0
459.16458	5.4
473.22946	2.3
475.19730	18.6
476.20251	1.9
483.20428	1.8
485.17859	7.0
499.20068	1.3
503.19241	23.7
504.19781	3.3
515.24304	4.6
516.24353	1.5
517.20758	38.4
517.28485	2.2
518.20978	4.9
527.18829	4.0
537.21899	1.7
545.20282	100.0
546.20538	14.2
557.25098	2.6
559.23621	5.3
571.23077	2.0
579.25757	4.1
585.21729	2.3
599.26489	4.8
603.22522	1.3
615.25922	3.4
617.25037	1.3
628.72974	1.7
629.23773	2.8
631.29236	28.8
632.29272	4.8
647.25037	39.8
648.24957	6.7
649.29755	2.6
661.26147	3.3
663.31006	9.1
675.27454	6.8
707.29810	13.6
708.28638	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	706.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
61.91682	0.2
61.98831	100.0
65.87957	0.1
70.24848	0.5
72.65134	0.2
78.95929	1.0
114.79152	0.2
140.42258	0.1
143.37656	0.2
152.99586	0.8
171.00696	0.1
175.92624	0.2
197.11826	0.3
207.10201	0.2
211.13332	0.8
225.11340	0.2
227.70207	0.1
277.21716	1.4
278.22174	0.4
328.61569	0.2
453.15479	0.5
555.84338	0.2
689.37305	0.4
706.36957	0.6
707.37445	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03196	0.7
57.03450	6.8
59.01378	5.1
68.99805	0.9
69.53567	3.1
71.01379	5.7
72.99316	1.6
73.02954	0.6
75.00883	1.1
83.01388	1.6
84.02155	1.0
85.02951	51.9
86.03278	1.4
87.00884	1.0
89.02443	2.1
95.02939	0.5
96.96004	0.5
98.20189	1.7
101.02482	0.6
103.00380	1.4
111.00886	3.4
115.00368	0.8
122.95601	0.5
129.01944	4.8
133.01411	2.8
135.04520	2.9
147.02979	5.2
160.04027	14.0
160.05362	0.7
161.04463	0.5
173.00916	1.7
176.54735	0.6
179.03526	1.6
190.79909	0.5
191.01968	23.8
192.02321	0.8
209.03021	100.0
210.03394	2.8
223.04691	0.5
353.05319	0.7
366.08228	7.1
371.06149	13.8
371.10287	1.0
372.06561	1.4
603.64948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43562	12.2
59.01380	100.0
61.98820	37.1
72.17452	12.6
81.11861	12.6
94.04675	11.7
94.79137	11.6
98.20643	39.4
127.99847	13.2
199.54410	13.2
209.11766	18.0
211.13345	50.6
277.21771	60.4
691.54279	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	707.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.1
59.01381	100.0
61.17801	0.8
61.98832	49.1
62.78754	0.7
69.91177	0.8
71.01387	7.2
71.52473	1.1
73.02949	0.9
75.00888	1.4
78.95901	5.2
79.05496	1.2
81.03481	1.0
83.05024	2.5
83.69899	0.6
85.02950	2.9
88.98784	2.4
98.00135	2.0
99.00848	1.7
99.04523	14.2
101.02460	1.6
101.03972	1.3
106.22624	0.9
107.05019	2.8
109.06564	1.8
111.04525	3.7
115.05508	0.7
119.05006	2.6
121.02961	87.1
122.03322	2.3
131.05028	3.2
133.06604	7.2
133.10248	1.7
135.04549	6.5
135.08138	1.4
145.02937	4.7
147.04541	8.5
149.06056	1.0
152.99599	2.5
153.05579	0.9
158.03734	1.1
159.08177	1.9
163.04005	1.7
163.07686	1.0
167.07120	1.6
171.10268	2.3
175.07663	0.8
177.04109	1.1
177.05574	16.1
178.05894	0.9
188.66576	0.8
191.07114	3.2
193.05037	0.9
201.11253	1.6
207.10143	1.6
209.11778	3.5
211.13379	0.9
213.09099	0.9
219.06497	1.3
225.11278	1.6
279.10718	0.8
316.06677	0.9
401.37723	0.8
441.19766	1.0
471.23764	1.6
485.67935	0.8
513.24670	1.1
535.24915	0.9
543.23590	1.8
549.24640	1.1
561.24561	2.2
571.23309	1.7
579.17273	1.0
579.26038	3.0
580.25623	1.3
587.27142	1.0
589.24500	3.3
593.25934	7.3
603.25983	4.7
621.27008	3.5
631.25299	8.7
631.78674	0.9
632.26392	1.2
633.28284	1.3
647.28088	2.8
663.28027	22.2
664.28778	3.9
668.76501	0.8
675.23560	7.5
707.26917	23.9
707.39093	1.2
708.27087	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	706.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.98832	100.0
62.98537	0.2
62.99255	0.1
71.01382	0.2
75.17415	0.1
78.95910	0.1
98.19846	0.3
99.00900	0.2
99.04517	0.4
101.02503	0.3
111.04547	0.2
121.02953	1.6
130.55261	0.1
135.78465	0.1
143.67027	0.1
147.04510	0.6
148.04802	0.1
149.06032	0.2
152.99591	0.1
193.05128	0.2
312.84943	0.1
321.78485	0.1
344.20441	0.1
375.44366	0.1
448.71854	0.1
579.26013	0.2
631.28571	0.1
643.27698	0.2
707.27594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.1
61.98830	100.0
62.98536	0.2
66.11841	0.1
67.16612	0.1
67.77137	0.1
71.52586	0.2
78.95937	0.1
125.37272	0.1
130.81453	0.1
152.99612	0.1
183.20158	0.1
198.94139	0.1
199.05298	0.1
212.66518	0.1
277.21777	0.3
286.21310	0.1
319.67426	0.1
330.53058	0.1
390.61127	0.1
462.53314	0.1
470.87204	0.1
678.46521	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62043	0.1
61.98829	100.0
62.98519	0.1
66.54485	0.1
71.15498	0.2
78.95914	0.2
97.07773	0.1
101.46510	0.1
123.80290	0.1
233.56699	0.1
277.21680	0.6
278.22119	0.3
279.23215	0.1
290.27689	0.1
351.73898	0.1
364.15793	0.1
706.44366	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.2
61.98829	100.0
62.98541	0.1
71.01411	0.1
85.02950	0.2
88.98823	0.1
98.00125	0.1
98.20280	0.7
99.00841	0.1
99.04515	1.6
106.58315	0.1
107.05027	0.2
133.06616	0.1
135.04527	0.2
147.04562	0.2
175.95741	0.1
229.86008	0.1
485.21902	0.6
561.23242	0.1
611.25348	0.4
614.27173	0.2
643.27612	3.2
643.38000	0.2
644.27979	0.7
674.35480	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.9
61.75985	0.6
61.98829	100.0
64.28346	0.5
83.05040	0.7
85.02950	0.7
98.19875	1.1
98.20568	2.3
99.04514	13.8
101.02406	0.7
107.05044	0.7
111.04545	0.6
133.06615	1.8
135.04547	1.3
161.09770	0.6
171.08176	0.6
175.07727	0.5
187.11281	0.6
189.09192	0.5
200.08397	0.9
213.09219	1.0
215.10735	4.1
229.15601	0.5
245.11815	3.8
253.12117	0.7
329.17654	0.5
379.19281	0.5
425.19684	0.9
439.21405	0.9
462.03378	0.6
467.20703	0.8
485.21921	4.1
486.22659	0.6
557.27441	0.6
567.25970	0.8
637.83521	0.5
643.27563	33.9
644.27881	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	1.1
58.54809	0.8
59.01379	100.0
60.01685	0.8
60.08244	0.6
60.08544	0.9
61.98837	7.3
62.02616	0.8
71.01380	7.6
71.06052	0.8
71.53310	1.5
73.02932	4.2
75.00871	0.8
78.95910	1.0
83.01363	1.0
83.05024	5.5
85.02975	1.3
89.02464	2.5
90.06207	0.7
101.02440	3.4
113.02439	3.2
119.03514	2.0
119.05000	0.8
121.06612	1.4
125.06021	0.8
137.02399	0.7
139.07637	1.1
146.97101	0.7
152.99614	0.8
161.04549	1.2
163.11293	2.4
165.12837	0.9
201.11455	0.8
205.12357	2.2
209.11807	31.0
210.12193	1.0
253.09329	1.0
273.22256	3.1
277.21707	76.2
278.22046	6.8
291.23282	28.0
292.23593	2.1
301.21683	4.4
308.38629	0.9
319.22772	12.9
320.23022	0.9
331.22809	1.8
349.23868	1.9
378.72644	0.9
489.61053	0.8
506.19226	0.8
578.61890	0.8
633.34705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
58.00616	0.3
59.01381	36.0
60.01704	0.4
61.98827	4.1
71.01382	6.0
73.02941	1.8
78.95892	0.4
83.01426	0.4
83.05054	0.3
85.02940	1.2
89.02451	2.4
95.01397	0.5
95.26846	0.4
97.02937	0.9
98.19936	0.8
101.02441	1.5
108.05793	0.4
113.02451	2.4
113.06091	0.8
119.03523	0.6
123.08154	0.9
125.06052	0.6
136.05319	0.7
138.06871	4.6
139.07671	1.7
150.99011	0.3
151.07654	4.7
152.04768	0.4
152.08434	4.7
153.09210	24.5
154.09547	1.0
161.04564	1.3
163.11264	0.4
165.09248	0.8
167.07121	0.5
181.00377	0.3
205.12325	11.5
206.12666	0.7
209.11800	2.7
223.13422	5.5
224.13661	0.4
238.76047	0.3
273.22165	0.7
277.21716	100.0
278.19003	0.4
278.22043	8.4
291.23322	3.7
301.21786	0.4
319.22772	1.6
367.17612	1.9
367.49530	0.3
385.18686	2.3
538.10461	0.6
645.40375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92294	0.5
58.00600	1.1
59.01379	100.0
60.01704	1.0
61.98827	9.5
64.38996	0.5
65.53677	0.6
69.42844	1.5
69.43262	2.5
71.01376	5.8
73.02951	4.3
73.61650	0.6
78.95956	0.6
80.02672	0.7
83.01411	0.6
83.05024	7.0
85.02952	1.4
89.02417	2.5
95.05021	0.7
97.02974	0.6
101.02435	2.7
111.08138	0.6
113.02457	3.8
119.03490	1.9
121.06574	1.4
125.06052	1.1
127.07676	0.8
139.07602	0.9
143.03555	0.8
147.55733	0.6
153.21704	0.5
161.04543	1.7
163.11234	1.5
165.12843	1.1
181.12363	0.6
205.12309	2.0
209.11821	49.7
210.12137	2.6
235.08218	1.0
253.09383	3.4
263.23724	0.9
273.22229	3.2
277.21701	79.5
278.22018	6.6
282.29410	0.5
291.23288	28.8
292.23679	2.1
301.21655	4.1
319.22784	16.2
319.26346	0.4
320.22998	1.7
335.22357	0.7
339.50571	0.5
349.23792	2.4
373.24161	0.8
379.24884	1.0
445.20663	0.8
705.43024	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
57.03452	0.4
58.00600	0.4
59.01378	13.6
61.98827	3.9
65.92726	0.3
66.04865	0.3
69.03438	0.4
71.01006	0.5
71.01375	5.3
71.05000	0.4
72.99312	0.5
73.02935	1.2
74.47520	0.3
75.00872	4.5
79.05498	0.4
80.02682	1.0
81.03448	1.2
83.01391	0.9
83.05023	4.3
84.02161	1.1
85.02951	2.7
87.00881	1.4
87.04499	0.5
88.98823	1.5
89.02440	1.9
90.38707	0.3
93.03464	0.4
95.05016	0.8
96.96014	0.9
97.06558	0.9
98.20284	2.1
99.00857	0.6
99.04517	11.5
101.02448	2.5
103.04015	0.6
109.02934	0.8
109.06606	0.7
111.04524	0.5
113.02432	1.1
115.00377	0.4
119.03502	0.5
121.02950	0.5
121.93594	0.3
123.04521	0.5
123.08158	0.8
125.06070	0.7
127.04034	0.8
131.36169	0.3
135.08116	0.3
152.04756	0.6
161.04562	0.8
163.11285	3.3
165.12831	2.0
169.12315	0.9
171.10194	1.3
181.12331	0.7
191.10747	0.8
197.11856	0.3
199.13495	0.3
207.10309	0.4
209.11809	100.0
210.12169	6.5
211.13150	0.3
225.11339	1.1
227.12868	14.3
228.13219	1.0
235.08167	1.9
253.09224	5.5
254.09616	0.4
373.19843	0.4
391.21097	0.4
399.53857	0.3
401.23602	0.4
415.21182	0.3
445.21182	1.5
455.24573	0.4
473.25525	1.2
499.26819	2.0
509.25629	0.4
513.28656	0.6
515.26453	0.4
527.26776	2.5
531.26160	0.8
533.23755	0.5
539.26666	0.4
541.27881	0.5
543.25677	0.4
551.27283	0.4
569.26752	0.3
573.26910	1.0
585.27448	0.4
595.25330	0.3
613.26666	1.5
615.27911	2.0
627.28308	2.2
628.29095	0.3
637.32477	1.1
645.28931	0.9
647.32019	0.4
656.28070	0.3
673.28992	1.0
687.30493	1.1
705.31586	2.5
706.31567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
57.03436	2.4
59.01378	17.0
61.98594	0.6
61.98838	7.7
63.93634	0.6
64.89072	0.6
67.79173	0.6
69.03451	1.4
69.54979	3.3
69.55397	1.3
71.01384	7.4
71.05010	2.4
72.01714	0.7
72.99289	0.9
73.02934	2.6
75.00847	0.8
79.55122	0.8
81.03481	0.7
83.01378	1.1
83.05009	2.4
85.02956	4.3
87.00393	0.6
87.00875	3.5
88.98806	2.9
89.02444	5.5
90.07916	0.6
95.01352	0.9
95.05001	1.1
96.96011	8.1
97.02956	4.8
97.06587	1.9
98.20471	1.9
98.95591	2.4
99.00874	20.9
99.04518	2.6
99.92573	2.0
101.02451	5.4
109.06578	2.0
110.03708	0.8
113.02433	2.8
115.00349	0.8
115.76306	0.6
115.92056	1.8
116.92864	7.3
119.03484	1.3
121.02953	1.2
123.04550	0.8
123.08145	2.6
125.02406	1.0
125.09722	7.4
127.11267	0.7
129.01970	0.7
132.83720	0.8
135.08163	2.0
136.05238	0.7
142.02722	1.1
147.23967	0.7
150.29883	0.6
153.12817	1.7
155.14346	0.7
161.04533	1.4
161.09708	1.3
163.11308	8.9
171.10248	3.8
179.10719	1.1
181.10834	1.3
181.12331	16.7
182.12653	1.3
197.11816	13.7
199.13388	9.9
201.11346	7.5
207.10254	30.0
208.10605	2.0
209.11819	11.3
211.13344	1.2
225.11317	43.6
226.11612	2.4
227.12816	2.1
241.10693	0.8
243.12366	26.4
244.12660	1.9
253.09294	1.9
267.84628	0.7
317.15915	0.7
397.13571	0.9
461.20450	2.0
479.21140	6.4
507.86771	0.7
515.22882	1.6
562.63770	1.0
573.26862	1.0
583.22491	1.6
615.27362	0.9
661.30743	2.9
669.40753	0.8
687.32141	10.7
688.32819	1.7
705.33344	100.0
706.33606	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	705.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42560	0.7
55.01873	1.0
57.03453	1.3
59.01381	19.1
60.65760	0.7
61.98831	100.0
69.03462	3.2
71.01382	12.0
72.99301	1.7
73.02952	0.9
75.00877	4.5
78.95885	0.9
80.28960	0.8
80.96529	1.2
81.03477	1.2
83.01418	1.0
83.05014	2.1
85.02948	4.2
87.00898	1.5
88.98812	4.2
93.03478	2.5
95.05029	1.6
97.02950	10.4
97.06621	0.8
99.00883	5.4
99.04523	14.7
101.02463	3.0
101.06094	1.7
103.00346	0.8
103.13810	0.7
107.05026	1.7
108.65631	0.7
109.02959	2.0
109.06573	0.7
111.04533	2.2
115.04003	5.7
119.05053	1.6
121.02957	17.6
121.06618	1.8
123.04532	3.0
127.03980	1.1
130.25618	0.7
135.04529	0.8
137.06120	1.4
139.04112	1.0
147.04526	39.7
147.08211	0.7
148.04823	1.7
149.06068	4.7
149.57542	0.7
151.04034	0.9
161.09758	0.8
161.40668	0.7
165.05548	1.7
167.03531	1.2
169.12421	0.9
171.10323	1.8
173.06073	0.9
175.04016	1.1
177.05592	1.3
178.17003	0.8
193.05063	5.0
194.05869	0.8
199.07588	1.7
201.09344	0.7
203.07106	0.9
207.10295	0.8
209.11884	3.0
211.06171	0.7
211.13448	2.9
213.09122	0.7
217.08722	0.8
219.95107	0.8
225.11356	1.5
227.12936	1.1
273.40204	0.7
295.15567	0.9
337.16763	1.7
373.20370	1.1
383.64725	0.8
421.37424	0.7
427.21240	1.1
433.18726	1.4
459.20285	5.2
467.21243	0.8
473.25659	1.9
497.25421	1.6
509.25549	4.5
510.25900	1.1
515.26990	1.0
527.26501	5.3
539.22888	0.9
551.26782	3.4
569.27600	16.1
570.27881	2.4
571.25360	4.1
595.25323	1.2
599.28906	1.0
613.26477	9.1
614.27368	1.5
642.29858	1.2
643.26392	1.3
645.28467	1.3
669.27448	1.5
687.28033	6.7
688.28503	1.6
705.29669	8.3
706.29755	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57558	1.3
57.03450	2.8
57.31974	1.0
57.73229	1.1
59.01380	100.0
60.99306	3.4
61.98832	79.6
69.03466	1.5
71.01388	13.7
71.04981	1.2
71.52773	1.4
71.53158	1.2
72.99299	4.6
73.02942	1.4
75.00876	1.3
78.95929	3.3
80.96525	3.4
81.03468	2.0
82.94902	1.0
82.95413	3.9
83.05015	5.8
83.61463	1.1
85.02956	9.0
87.00883	4.1
88.98806	16.0
89.02438	2.6
93.03457	3.6
95.05036	2.2
97.02946	2.4
99.00887	7.1
99.04519	42.1
101.02436	14.5
101.06085	22.9
107.05038	2.7
109.02987	1.3
109.06609	2.6
111.04500	2.6
115.00359	1.4
115.35899	1.3
119.05011	1.4
121.02960	29.5
121.06572	2.1
123.04522	4.7
133.06615	2.8
135.04529	1.5
135.08165	1.7
147.04524	22.9
148.04854	3.2
149.06110	2.9
151.03975	2.4
151.11256	1.3
152.99609	1.5
159.08165	1.8
161.09676	2.0
167.07062	1.8
171.10271	4.3
173.09651	1.5
175.04102	1.4
177.05574	2.1
187.11240	1.7
190.41753	1.2
193.05090	6.2
194.05850	3.6
199.07623	1.3
199.13266	1.4
203.07339	1.7
207.10216	3.6
209.11867	8.9
211.06059	2.2
211.13347	3.5
213.09261	1.4
220.12352	1.8
225.11337	2.9
227.12807	2.7
251.80283	1.3
358.16980	1.2
373.20026	1.3
427.21234	1.4
451.18466	1.5
458.97919	1.2
459.19870	1.5
473.25510	2.9
483.28531	1.5
485.21783	2.1
503.22757	3.1
509.25522	5.2
513.17621	2.2
515.26257	2.0
527.26422	10.6
528.27167	2.3
545.24103	2.3
551.26495	3.2
553.24951	2.5
569.27557	23.4
570.27649	4.2
571.25458	17.4
572.25574	3.7
587.27985	1.8
595.25201	1.6
601.26917	1.4
603.26544	2.2
613.26428	19.1
614.26593	2.9
621.27051	2.1
623.28632	4.4
629.28949	5.9
643.29395	2.1
645.27197	2.4
661.30499	3.0
663.41113	2.9
669.24609	1.5
673.27972	11.0
687.24060	3.4
705.30731	26.7
706.31482	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	705.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88715	1.5
55.01855	1.2
59.01379	100.0
60.01700	2.8
61.98829	43.7
64.69776	1.4
70.39106	2.7
70.39500	2.5
71.01376	6.8
72.99336	2.2
73.02942	3.5
75.00884	2.9
79.05495	1.6
83.05035	4.0
85.02948	7.0
87.00866	4.8
87.64487	1.2
88.98856	1.7
89.02479	1.6
93.03465	1.9
95.05045	1.7
96.96002	3.6
97.06578	1.7
98.20076	1.5
99.00887	4.1
99.04516	51.9
101.02402	1.7
107.04997	2.0
109.02936	1.5
109.06599	3.8
111.04529	4.2
113.02412	1.6
115.00323	1.5
121.02963	3.0
121.06615	2.1
123.04500	1.4
123.08171	2.9
127.04024	4.8
131.08690	1.8
133.06624	1.8
135.04539	2.1
141.05583	2.3
145.06534	1.6
147.04491	1.8
147.08163	2.6
161.06133	3.4
167.07188	1.9
169.05127	6.6
169.12288	2.3
171.10301	1.6
189.09171	3.2
191.10779	5.6
199.07661	1.4
199.13368	2.0
209.11832	9.9
213.09085	1.9
215.10791	1.8
225.11250	2.2
227.12920	4.6
241.08806	2.2
245.11627	1.5
253.09363	1.4
273.11459	2.3
281.11932	1.8
347.22241	1.5
357.16937	2.5
429.19199	2.0
429.26321	1.8
455.24393	2.0
467.20468	4.0
473.25473	13.1
474.26013	1.5
485.21765	2.2
495.20425	2.5
497.25638	1.6
513.20886	7.7
515.26587	2.5
527.22290	7.0
531.25970	2.4
545.23639	3.7
545.28467	2.8
553.24292	2.1
567.25702	2.4
573.27350	2.8
585.26611	3.5
587.28571	5.4
595.25507	7.9
613.26190	2.3
615.27747	2.0
621.29016	7.4
627.28113	46.9
628.28546	9.0
629.29254	2.6
645.28949	4.7
646.29523	2.3
663.30170	41.9
664.30872	6.6
687.32117	2.0
705.31335	24.5
706.31421	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	705.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.4
57.03436	0.8
59.01378	39.3
61.98828	25.1
71.01391	4.4
72.99296	1.7
73.02924	1.0
75.00871	1.2
78.95887	1.1
79.05531	3.6
80.71034	0.8
80.96525	1.0
81.03416	0.9
83.05022	1.8
85.02945	2.6
87.00865	7.5
88.98806	2.2
95.05034	0.7
96.96011	1.3
97.02962	1.2
97.06567	1.1
99.04517	37.8
101.02453	1.6
101.03084	0.9
107.04984	1.0
109.06559	0.9
115.00368	4.4
121.02917	1.4
124.78746	0.8
125.06036	0.7
133.10202	1.3
135.04495	1.5
146.54208	0.8
147.04590	0.9
147.08192	1.4
147.14859	0.7
151.07603	0.8
159.08102	1.3
161.09700	2.1
163.11285	1.5
171.10220	2.5
173.09636	0.7
189.12943	1.2
199.13370	2.0
201.12912	1.0
207.10388	1.7
209.11816	21.1
210.12210	1.2
211.13333	1.6
215.14429	2.8
218.26088	0.7
225.11269	1.9
227.13010	5.3
228.13336	0.9
253.09396	2.0
255.17656	0.9
281.19113	0.9
299.20370	1.0
347.22266	6.0
373.20215	3.9
411.25372	1.3
429.26370	4.3
437.23291	1.2
453.26343	3.0
455.24347	6.2
473.25449	11.7
497.25430	1.6
499.11441	0.8
515.26215	2.2
555.25989	1.0
581.19885	0.8
613.26416	2.5
615.27875	3.2
619.87848	0.8
621.29059	25.1
622.29443	3.0
627.28278	1.3
628.27838	1.0
663.30127	72.0
664.30469	13.4
673.34753	1.8
705.31232	100.0
706.31512	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	705.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11695	1.1
52.24623	1.2
59.01381	100.0
61.98830	24.6
71.01389	8.9
73.02951	3.2
75.00870	3.9
79.05513	1.2
79.49288	1.1
81.03488	1.3
83.01379	1.8
83.05026	4.6
84.02152	3.2
85.02962	5.2
87.00883	2.6
88.98806	4.2
89.02439	1.7
89.19039	1.2
89.69157	1.3
96.96013	2.9
99.00867	3.0
99.04520	52.5
100.04805	1.8
101.02457	3.5
101.06155	1.4
104.09141	1.3
107.05046	2.5
109.06586	1.9
111.04492	5.5
111.95837	1.1
113.02441	3.5
121.06583	1.2
123.04472	1.2
123.08193	1.8
124.58724	1.3
125.06059	2.5
126.10643	1.2
127.03971	7.4
131.08687	2.5
133.06564	1.9
135.04495	3.9
135.08107	1.4
137.06027	2.1
141.05568	3.7
147.04503	2.9
157.06497	1.2
159.04501	2.2
159.08083	2.6
161.06070	3.3
164.11037	1.4
167.07083	2.3
169.05031	11.1
171.08105	1.5
171.10272	2.5
175.07690	1.5
185.05879	1.3
187.07719	1.7
189.09186	2.9
191.10759	5.1
193.08736	1.9
197.09761	1.5
201.09154	1.9
201.11195	1.2
207.10287	1.7
209.02898	1.2
209.11830	9.9
214.06337	1.4
215.07161	2.1
215.51213	1.1
223.07552	1.5
225.11346	3.3
227.10765	1.4
227.12839	3.0
229.11984	1.3
241.08499	2.6
253.12311	1.6
273.11255	3.4
273.14880	2.1
281.11877	1.4
297.14612	1.5
299.12631	1.6
316.05383	1.2
325.14877	1.3
357.17291	1.5
403.45737	1.4
429.18988	2.7
435.17923	2.6
449.19727	2.7
453.19284	1.8
457.25931	2.8
467.20920	3.5
469.18759	3.3
473.25311	1.7
485.21884	2.5
495.20233	4.1
499.27032	15.8
500.27332	1.5
513.21179	13.0
513.28424	3.5
514.21808	2.5
527.22687	9.3
528.23114	1.6
531.25476	4.5
541.28094	2.9
545.23413	5.9
549.25183	1.5
553.24097	3.9
567.26050	3.1
573.26880	6.2
585.27051	4.3
595.25543	12.4
596.25903	1.8
613.26733	4.0
615.27875	5.4
627.28027	64.6
628.28418	13.8
643.27673	1.9
645.28760	5.6
687.30835	3.6
705.32129	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	705.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34652	0.5
59.01382	8.0
61.98830	86.4
69.95028	2.6
71.01394	2.6
78.95919	0.8
81.03454	0.9
83.05032	2.0
85.02968	1.5
93.03465	0.9
97.02956	1.2
98.20032	1.0
99.04517	52.6
100.04882	1.2
101.02441	0.6
105.07111	0.6
107.05030	1.2
111.04538	1.4
121.02954	100.0
122.03293	2.9
123.04492	0.6
125.06095	0.7
131.05022	0.7
133.06609	1.6
135.04518	1.8
147.04477	4.3
149.06123	0.6
159.08182	1.0
167.07117	1.4
171.10275	1.1
181.81477	0.6
184.08087	0.7
187.11206	0.9
189.09198	0.9
193.08629	0.7
209.11758	1.7
211.13458	1.4
213.09225	0.9
225.11363	0.7
378.26572	0.7
379.19211	1.3
425.19772	1.5
439.21347	0.8
457.22391	0.7
484.94690	0.6
511.26724	0.8
529.22223	1.6
547.23279	2.9
548.23242	1.2
558.27759	0.9
579.25275	0.9
600.28589	0.9
601.27759	1.0
629.27716	6.7
630.27460	1.0
642.29663	1.6
643.29358	1.2
646.30524	0.6
661.30066	12.8
662.30463	1.7
673.25909	1.7
705.29034	23.9
706.29968	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	705.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99193	0.2
57.03444	0.2
59.01380	100.0
60.01716	0.9
61.98833	1.0
71.01353	0.2
83.05009	0.4
98.20278	1.1
121.02956	29.7
122.03289	1.0
130.65215	0.2
145.96387	0.2
183.48151	0.2
189.21515	0.2
192.52293	0.2
194.04715	0.2
203.49051	0.2
207.10138	0.2
209.11720	0.3
227.10753	1.0
363.16046	0.5
403.19141	0.3
409.19885	0.3
421.20099	0.2
435.21542	0.3
437.19644	0.5
438.39078	0.2
463.21310	1.3
559.23285	2.1
560.23535	0.3
585.24658	0.7
603.25397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15492	0.5
59.01379	100.0
60.01722	1.4
61.98830	24.4
71.01381	5.7
71.52091	0.6
73.02942	0.5
75.00874	10.5
78.95920	2.0
83.05053	0.7
85.02945	3.2
87.00873	0.8
92.48822	0.5
97.02989	0.6
99.00913	1.1
99.04522	5.6
100.04880	1.3
101.02452	0.6
106.41827	0.5
109.06623	0.9
110.57134	0.5
121.02962	7.1
122.03294	1.3
125.09737	0.9
140.79570	0.4
145.02956	2.2
147.04587	1.9
149.06281	0.4
152.99625	1.0
163.11302	1.0
169.12416	1.4
171.10231	2.3
185.11916	0.6
187.09743	0.8
189.09486	0.5
199.09761	0.7
201.11406	1.0
207.10234	2.7
209.11874	5.0
211.13556	0.6
225.11415	1.9
227.13019	0.7
253.09344	0.9
389.34171	0.6
543.22070	3.7
587.36261	0.9
629.27051	0.6
643.20795	0.9
661.29474	0.7
673.26172	2.6
705.30139	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	705.291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01378	100.0
60.01705	0.8
61.98827	11.9
62.39323	0.4
62.64171	0.4
63.27352	0.4
69.28754	1.9
69.29192	1.7
71.01375	2.5
72.99300	0.7
73.02959	0.5
75.00858	0.5
78.95905	6.6
81.03448	0.6
83.05016	2.9
85.02951	1.7
87.00900	0.6
88.98816	1.5
95.05037	0.7
97.02970	0.5
99.00862	0.8
99.04530	3.6
101.02434	1.4
101.06057	0.8
103.00391	0.4
103.05522	0.7
109.06573	1.2
111.04504	1.4
119.05003	0.7
121.02953	2.8
121.06547	0.5
122.03316	0.6
123.04514	0.7
138.42973	0.5
145.06653	1.0
147.04517	54.6
148.04863	2.1
149.06071	0.4
152.99585	3.4
154.35612	0.5
161.09645	0.4
171.10367	0.8
193.05022	0.7
197.11804	0.6
207.10193	0.6
209.11838	4.7
217.12309	0.9
225.11292	1.1
227.12801	0.8
347.16541	1.5
349.18155	0.4
363.12210	0.9
367.18878	0.7
393.20633	1.5
445.19965	0.8
453.22769	0.9
541.26117	1.1
575.26410	5.4
576.26666	1.2
583.26520	0.7
601.27850	3.4
619.28864	1.0
631.25366	0.4
645.26898	0.6
673.33472	2.5
705.28992	29.8
706.29388	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	705.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	99.1
60.01723	1.1
60.99329	0.8
61.98825	12.1
69.03450	0.6
71.01386	4.0
72.99308	17.6
75.00874	1.3
81.03451	1.0
81.77293	0.7
83.05035	1.9
84.19201	0.5
85.02959	7.5
87.00896	1.1
88.98812	4.3
89.02470	0.9
96.96017	1.9
97.02983	0.7
97.06565	0.8
99.00868	1.4
99.04513	6.6
101.02438	2.0
101.06104	1.6
107.05003	0.8
109.06564	0.9
111.04558	1.6
121.02968	4.4
131.08676	0.8
147.08226	0.8
151.11310	1.3
163.11295	1.8
165.12947	0.8
168.06609	0.7
169.05089	1.3
169.12395	0.8
171.10313	3.0
177.12897	0.8
198.07397	0.6
201.12865	1.6
207.10287	0.9
209.11821	30.0
210.12163	1.7
211.13518	1.9
225.11349	2.1
227.12836	6.8
248.27876	0.6
253.09256	3.1
265.09390	0.8
299.20148	2.4
315.23312	1.3
349.25378	1.2
367.26395	6.0
411.25372	13.5
412.25842	1.9
445.20993	1.1
453.26428	100.0
454.26727	13.8
455.24118	1.3
463.22812	1.1
471.27551	1.0
497.25232	1.3
498.12042	0.7
509.25009	1.0
513.28558	38.4
514.28955	6.2
557.27240	1.1
571.25305	0.9
575.28882	4.0
585.26843	1.2
613.26459	5.3
614.27002	1.2
615.28741	2.5
627.28143	1.1
628.29449	0.9
643.27887	1.0
645.29688	0.8
661.35681	1.2
664.31335	3.0
673.34259	1.4
687.29700	0.7
705.31641	2.0
706.32428	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	705.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01727	0.4
55.01862	1.3
57.03447	21.0
59.01376	6.6
60.99306	2.0
61.98828	18.4
65.03959	0.9
67.01885	0.9
68.99803	1.4
69.03451	3.1
71.01379	12.9
72.99306	9.4
73.02929	0.8
77.43180	0.5
78.95899	0.8
79.05534	1.4
80.02658	0.7
80.96516	1.3
81.03467	2.6
81.03874	0.4
83.01375	1.7
83.05023	2.5
84.02177	0.5
84.37679	0.5
85.02947	10.2
87.00869	7.4
88.98804	13.0
88.99352	0.7
89.02448	1.3
93.03451	8.4
95.01396	1.9
95.05022	7.3
97.02932	3.8
97.06614	0.9
99.00883	22.4
99.01537	1.1
99.04519	4.6
101.02443	100.0
101.06064	0.9
102.02790	1.5
103.05509	1.3
105.03458	0.6
105.07088	0.6
106.04236	1.2
107.05026	4.4
108.02165	1.2
109.02966	5.5
109.06592	1.2
111.04522	9.3
111.05241	0.8
113.02440	1.8
113.06107	0.5
115.00344	0.4
115.05525	0.6
117.03471	0.4
119.05019	3.7
121.02959	19.7
121.06599	5.7
122.03786	0.6
123.00869	0.8
123.04520	12.2
123.08198	1.0
125.02457	4.6
127.04018	3.2
129.07121	1.7
131.05022	2.2
133.02989	0.8
133.06615	1.2
134.03728	1.5
135.04547	3.8
135.08253	0.7
136.01698	0.6
137.02428	3.1
137.06062	4.1
139.04027	2.0
143.05055	0.8
145.02924	0.8
145.06564	1.1
146.03748	0.5
147.04518	75.9
148.04823	2.8
149.02454	2.2
149.06073	11.9
150.03181	2.4
151.02144	0.5
151.04024	8.9
157.06554	1.6
158.03812	0.6
159.04503	1.3
159.08173	0.8
159.77252	0.4
160.05193	0.5
161.06073	3.7
163.04033	0.9
163.07593	0.5
164.04800	0.7
165.05577	6.3
167.03471	5.1
167.07164	2.5
171.08167	0.9
172.05359	0.5
173.06004	1.1
175.04024	4.4
175.07646	1.7
176.04793	4.7
177.05548	4.9
179.07104	0.9
181.06538	0.5
183.04562	0.5
183.06639	1.1
184.05371	0.8
185.06093	2.2
187.03989	0.6
187.07617	3.0
188.04906	0.6
189.05582	0.9
189.09203	0.7
191.07129	0.5
193.05045	22.9
194.05826	14.9
195.06514	1.6
197.06119	0.6
197.09996	0.5
199.07628	1.5
200.08388	0.5
201.05493	0.9
201.09180	0.6
203.07123	3.9
205.08594	0.8
207.10312	0.7
209.09761	0.5
209.11861	1.4
211.06097	13.5
211.13434	1.0
212.06543	0.6
213.09219	1.1
214.06477	0.8
215.07106	1.0
217.08676	1.3
221.08157	0.6
225.09351	0.7
225.11360	0.6
229.08679	0.8
232.07344	0.9
251.07117	0.6
253.09285	0.6
253.12410	0.5
265.08762	0.4
279.06894	0.5
279.10336	1.2
297.11722	0.7
309.10965	0.4
323.08948	0.5
365.14203	0.5
377.12769	0.5
389.13754	0.6
393.13376	0.7
411.14313	1.3
425.16010	0.8
437.16071	1.6
455.17313	0.8
483.16837	1.4
491.17642	0.5
493.19202	0.6
499.16275	0.6
508.39844	0.6
509.18237	0.7
511.19437	1.0
513.17584	6.5
514.17761	1.0
539.19153	4.9
540.19708	0.9
557.20050	3.0
567.20825	0.9
585.21716	1.1
603.22321	1.0
615.22772	0.7
643.21118	3.0
644.21991	0.7
659.25165	1.4
661.21960	3.6
662.24078	1.1
669.23132	4.5
670.23834	1.0
687.24451	12.4
687.36108	0.8
688.25104	3.2
705.24609	8.2
706.15216	0.6
706.26685	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	704.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.3
60.99308	0.2
61.98831	100.0
69.03458	0.6
71.01393	1.6
72.99309	0.5
75.00884	0.7
75.75810	0.1
77.73244	0.1
78.03230	0.1
78.76807	0.2
78.95917	0.4
80.96515	0.2
83.01392	0.2
83.05073	0.2
85.02956	0.9
87.00903	0.4
88.98816	0.7
89.02453	0.2
93.03487	0.4
95.05031	0.4
97.02958	1.9
99.00887	0.9
99.04519	4.0
101.02469	0.3
103.00357	0.4
107.05051	0.3
109.02991	0.2
111.04540	0.3
115.04028	1.0
121.02962	3.7
121.03771	0.3
121.06635	0.5
123.04528	0.5
133.06656	0.3
135.04549	0.2
137.06146	0.3
145.06572	0.2
147.04529	8.1
148.04887	0.4
149.05093	0.2
149.06126	0.7
151.04007	0.2
159.08327	0.2
161.09773	0.2
165.05576	0.3
171.10339	0.4
193.05156	0.6
195.06593	0.2
199.07666	0.2
201.09244	0.2
207.10379	0.2
209.11827	0.9
209.41653	0.2
211.13469	0.6
225.11360	0.2
227.12932	0.2
229.60660	0.2
232.98756	0.2
255.89867	0.2
263.38327	0.2
295.15710	0.2
373.20361	0.2
459.20236	1.0
466.40604	0.2
473.25836	0.4
497.25751	0.6
509.25723	0.5
527.27026	0.6
551.26440	0.6
557.27875	0.5
569.27405	2.1
571.25964	0.5
599.28497	1.4
613.26605	1.2
627.26361	0.2
641.29651	2.7
642.29858	0.4
643.27307	0.2
669.27661	0.2
672.32587	0.2
686.30249	0.2
687.28040	1.1
703.34515	0.2
704.30292	0.4
705.28741	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
61.98829	100.0
69.16280	2.5
71.73682	0.2
120.95089	0.2
188.10925	0.3
316.75757	0.2
414.87149	0.3
514.85236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17015	0.1
59.01378	2.2
60.01723	0.1
61.01818	0.1
61.98830	100.0
62.98524	0.1
68.99572	0.1
83.96313	0.1
99.49580	0.1
102.46882	0.1
133.76718	0.1
152.99609	0.1
230.11589	0.1
309.26733	0.1
483.15140	0.3
484.15558	0.5
497.17307	0.1
498.17310	0.1
542.15936	0.1
543.16602	0.2
556.19281	0.1
557.18970	0.5
558.19080	1.0
575.15875	0.2
589.17291	0.1
630.22205	0.1
643.22638	0.1
644.22705	0.6
703.25043	0.2
704.23456	3.0
705.22894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81900	0.2
52.12154	0.1
58.89767	0.1
59.01382	2.3
61.98829	100.0
65.40842	0.1
70.89696	0.3
71.01403	0.6
72.99311	0.5
73.02951	0.5
74.02487	0.2
75.00867	5.1
78.95909	0.5
80.68533	0.1
85.02968	0.4
89.02443	0.2
92.41297	0.2
99.04506	1.4
100.04808	0.2
101.06078	0.9
109.06628	0.1
119.35938	0.2
121.02965	1.0
125.09637	0.2
147.04514	0.8
148.04816	0.3
152.99559	0.2
171.10289	0.3
207.10294	0.2
209.11894	0.7
210.12173	0.2
225.11395	0.3
240.28879	0.2
304.42642	0.2
455.44385	0.2
521.71484	0.2
557.23816	0.4
641.29724	1.1
642.29602	0.2
672.32867	0.3
704.31238	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58940	12.3
55.39590	13.4
59.01379	16.5
59.45977	12.4
61.98829	100.0
72.45985	14.4
87.72591	13.6
91.31356	12.5
94.58440	11.5
98.20660	42.3
109.08910	12.4
145.02953	23.3
171.10246	17.1
181.20001	12.6
189.38225	15.3
199.64871	15.0
255.23215	23.9
258.62781	14.7
277.21591	25.3
551.27618	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
56.93331	0.9
59.01108	1.5
59.01379	19.8
60.01685	1.1
61.98829	99.5
69.17260	9.1
71.01375	4.9
71.05005	2.0
72.99313	1.8
73.02952	1.7
78.98582	1.5
79.05538	2.0
79.95756	1.4
80.96516	13.9
83.05028	2.4
85.02950	2.9
87.00874	10.8
87.04456	1.2
88.98808	7.6
94.98088	3.0
95.05042	1.2
96.96008	1.9
97.02932	1.4
97.06630	1.7
99.04517	99.5
100.04839	2.3
101.02470	1.9
115.00378	4.2
115.04018	4.2
121.02959	1.6
123.04504	1.4
128.84700	1.1
133.10236	1.8
139.04027	1.4
147.04536	3.0
147.08162	2.4
148.07695	0.9
148.99129	1.3
161.09763	1.8
163.11385	1.1
164.98643	1.9
197.11745	1.3
207.10320	3.3
209.11809	7.5
211.13393	1.6
215.14468	3.4
225.00763	3.2
225.11258	5.0
227.12851	2.4
247.05128	1.2
284.55338	1.0
295.15530	1.8
347.22321	4.1
353.07620	1.1
373.19977	4.9
427.21570	1.4
429.26224	2.1
437.23535	1.6
455.24335	15.0
461.20294	2.3
473.25409	4.1
521.24066	2.9
561.96136	1.1
563.93402	1.1
603.28253	3.2
611.25421	1.4
621.29126	100.0
622.29352	15.5
653.32037	1.3
671.33063	1.7
703.33154	83.1
704.32764	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	703.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28278	0.3
59.01386	1.8
61.98834	0.8
67.00156	0.2
69.22450	2.3
71.01376	0.9
73.02970	0.3
77.65237	0.2
79.27870	0.2
79.95296	0.3
79.95727	4.7
85.02946	0.6
89.02452	0.9
96.96012	74.3
97.95967	0.4
98.19965	0.7
98.20649	0.5
98.95586	0.6
101.02451	0.6
113.02459	0.3
119.03486	0.3
120.90794	0.2
129.01888	0.3
136.38264	0.2
152.01183	0.3
184.73856	0.3
193.05069	0.3
289.11145	100.0
290.11490	7.0
291.10962	0.6
484.17032	0.3
551.09857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01406	13.6
61.98824	100.0
65.03094	11.2
66.75008	10.7
86.24869	13.8
89.02132	12.5
89.23772	12.2
96.03786	11.7
103.28812	11.1
117.03500	15.3
145.03006	20.1
171.10272	22.1
222.50873	13.1
229.57780	22.5
255.23187	21.7
277.21576	15.0
494.93478	11.1
606.24597	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	703.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01719	1.2
61.98830	1.6
65.27467	0.2
69.74584	0.2
73.02958	0.2
73.68016	0.2
75.00868	0.4
75.02364	0.2
78.95938	0.3
98.20417	1.2
99.04512	0.6
100.53819	0.2
101.06130	0.3
121.02953	11.7
122.03333	0.6
146.14633	0.2
152.40675	0.2
207.10408	0.2
209.11917	0.3
223.67932	0.2
243.10292	0.3
391.22830	0.2
561.24884	20.4
562.25336	3.1
613.43024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.9
57.03436	1.4
59.01379	29.2
60.01703	0.9
61.98537	1.0
61.98834	14.0
64.84187	0.6
68.99564	1.5
69.03439	3.2
69.32820	5.4
71.01383	8.7
71.05017	2.5
72.99292	1.9
73.02950	2.0
73.53127	0.6
75.00859	1.2
79.95720	0.8
80.02659	0.8
83.01378	1.2
83.05025	2.3
85.02959	4.7
87.00874	2.7
89.02457	5.2
95.05045	1.8
96.96008	15.0
97.02943	2.9
97.06579	2.3
99.00274	1.2
99.00883	14.3
99.04518	12.1
99.92596	0.8
100.04837	0.9
101.02435	5.5
109.06606	1.5
111.04516	1.1
112.98584	1.1
113.02480	3.1
115.00315	0.8
119.03524	1.5
119.05115	0.6
121.02965	5.7
121.06577	0.9
122.03277	1.4
123.08131	1.9
125.02453	1.1
125.09707	5.2
127.03944	0.7
137.02364	0.6
139.04004	6.2
142.02649	0.6
151.11263	1.3
153.12856	0.9
161.09686	2.2
163.11266	6.8
171.10201	1.5
179.10748	3.2
181.12334	9.6
182.12708	1.2
197.11833	29.9
198.12218	1.5
199.13432	7.2
207.10246	17.1
208.10526	1.2
209.11853	3.6
225.11316	21.8
226.11632	1.9
241.10724	2.4
243.12321	12.0
253.09344	1.7
265.09470	0.9
287.16547	0.9
295.90164	0.7
305.17459	0.8
356.35663	0.7
396.63937	0.6
399.21579	1.4
461.19653	0.8
477.19800	1.4
479.20981	2.0
531.25464	1.5
541.26746	0.9
543.25977	1.9
585.27429	1.1
589.30359	1.3
613.26306	1.3
625.26306	2.0
627.20135	0.8
638.94141	0.8
653.26019	8.0
654.25861	1.2
659.33313	2.0
660.36353	0.7
685.30554	2.5
703.31708	100.0
704.31964	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	703.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01434	21.2
55.91545	24.8
59.01376	100.0
61.98830	81.3
70.09798	18.4
70.10840	20.8
70.11195	94.6
71.01348	28.7
78.95909	23.6
106.36137	20.5
118.95757	20.5
129.56406	19.5
133.05075	36.9
161.67493	23.5
236.55540	24.9
244.18613	20.3
281.80630	22.3
399.49118	27.3
429.85031	23.7
585.54132	22.9
624.66211	23.1
653.48480	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	703.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25740	0.3
59.01381	6.3
61.98830	15.3
62.58051	0.3
65.41160	0.3
71.01390	1.1
71.41392	0.4
72.99320	0.7
78.91888	0.6
78.95901	0.9
83.05043	0.8
83.26202	0.3
85.02934	1.6
87.00897	0.7
93.03439	0.7
95.05052	0.4
96.95996	0.3
97.03038	0.4
97.06633	0.4
99.00878	0.8
99.04519	22.1
107.05007	0.5
109.02933	0.5
109.06588	0.5
111.04516	0.5
116.92861	0.5
119.05066	0.6
121.02955	100.0
122.03259	2.9
123.04502	0.5
145.06589	0.7
147.04517	6.7
149.06027	0.5
151.03995	0.5
160.05316	1.0
161.06076	1.2
176.93875	0.4
178.55568	0.3
193.05045	0.4
194.05804	0.8
195.28806	0.4
207.10315	0.6
209.11777	1.1
211.06050	0.6
217.12404	0.5
243.10324	0.8
248.08510	0.5
253.09486	0.3
295.15762	0.4
413.23526	1.0
429.22897	3.9
439.21622	0.5
486.97211	0.4
491.19144	2.1
499.23123	0.6
535.27069	0.8
553.28357	1.3
561.24750	4.6
579.26013	5.9
580.26373	1.1
621.27020	52.4
622.27386	7.8
622.36615	0.3
659.28485	0.8
671.32794	0.4
685.26630	0.4
703.31207	20.1
704.31305	3.5
726.64215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01720	0.8
61.98831	2.7
66.68080	0.2
71.01357	0.2
78.95918	0.4
86.80887	0.2
89.90743	0.2
96.36134	0.2
96.96010	0.6
98.19953	0.5
99.04519	3.0
109.06602	0.2
121.02956	7.4
122.03342	0.2
122.34543	0.2
147.04565	0.6
176.08189	0.2
207.10384	0.2
209.11911	0.6
545.21863	0.4
643.29810	0.5
659.29596	0.3
703.28369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.9
59.46414	0.3
60.01720	0.3
61.98831	32.7
67.01897	0.5
69.03424	0.5
70.82029	0.7
71.01376	0.8
72.99308	1.5
73.02952	0.4
75.00883	0.3
78.95928	0.3
81.03480	0.7
82.95423	0.6
83.05026	1.8
84.02159	0.3
85.02952	3.5
86.17480	0.4
95.04986	0.4
98.00092	0.4
99.04522	100.0
100.04856	2.5
101.02441	1.7
107.05013	1.0
109.06563	0.6
111.00853	0.4
111.04533	0.7
113.66571	0.3
116.92858	0.5
119.05024	0.5
121.02960	33.6
121.06602	0.4
122.03306	0.9
123.04492	0.5
133.06561	1.2
135.04500	1.2
137.09695	0.3
141.05536	0.7
141.07118	0.4
145.06621	0.4
147.04521	5.6
148.04858	0.5
157.06602	0.5
159.08087	0.5
161.09801	0.5
163.07686	0.3
171.08115	0.4
187.07701	0.4
199.07542	0.4
209.11693	0.5
210.06808	0.4
211.13368	0.6
213.09241	0.7
215.10832	1.6
236.31259	0.3
341.28726	0.3
345.15179	0.8
389.13605	0.5
427.21201	1.0
497.22983	0.5
509.25314	1.3
515.24042	1.2
545.21564	1.2
583.23431	0.4
585.27045	0.5
591.29431	1.4
611.21484	0.4
617.23914	2.2
623.32458	0.5
627.25873	5.5
628.26123	1.1
628.45520	0.4
635.28595	0.4
641.26550	0.5
643.25525	1.2
659.17981	0.7
659.28583	10.5
659.39703	0.5
660.28979	2.2
667.31287	8.5
668.31403	1.2
671.23462	0.5
703.27637	14.2
704.28369	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	703.274
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29493	1.1
59.01379	66.5
61.98829	40.7
67.01893	9.2
71.01369	2.3
72.99310	7.1
81.03460	1.7
82.69016	1.0
83.05034	8.4
85.02958	6.3
98.20674	2.1
99.04521	100.0
99.22835	1.2
100.04857	3.2
109.06593	3.4
111.04507	2.6
113.06134	1.2
113.20177	1.1
119.04996	2.4
121.02957	29.2
124.05281	1.1
127.03996	4.3
133.06598	2.0
135.04509	4.1
141.05519	1.9
145.06572	2.6
147.04532	45.8
148.04845	4.1
159.08176	2.1
169.05060	1.6
171.08119	4.4
175.07655	1.8
177.05527	1.6
183.08167	1.1
187.07668	1.7
189.05498	1.3
199.07646	3.3
200.08395	3.5
209.11804	1.6
213.09140	2.1
215.10762	21.3
216.11040	1.6
228.98370	1.3
275.14429	1.1
275.96719	1.1
277.12292	1.4
304.17981	1.1
317.15302	1.4
345.14838	5.2
391.19196	3.5
409.19937	1.3
416.98254	1.4
427.21106	1.9
429.20856	1.8
451.21265	1.5
457.20258	1.9
509.25449	3.8
531.23486	1.3
539.23889	1.7
557.25531	1.6
573.24249	5.8
575.26532	1.5
591.29346	2.2
599.26538	4.8
617.25372	2.3
627.25818	3.2
643.25226	2.4
659.28851	10.4
661.26581	1.6
667.31177	22.5
668.31567	4.8
671.23804	1.9
702.29755	1.4
703.28033	32.7
704.27869	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	702.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.4
60.99321	0.1
61.98831	100.0
62.98516	0.1
63.77266	0.1
71.01398	0.2
85.02984	0.2
85.57946	0.1
87.00888	0.2
87.37983	0.1
88.00385	0.1
88.98805	1.3
89.02457	0.2
98.20600	0.3
99.04530	0.6
101.06118	0.1
105.26537	0.1
108.35063	0.1
115.03997	0.1
121.02962	2.5
122.03302	0.4
147.04541	0.7
171.10262	0.1
197.11862	0.2
209.11972	0.1
211.13460	0.2
222.16789	0.1
517.50989	0.1
525.25372	0.2
642.35156	0.1
665.26837	0.2
666.26605	0.5
671.32629	0.2
702.31683	0.2
703.17621	0.1
703.29620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
57.03448	68.5
58.03752	0.6
58.72759	0.6
59.01378	58.7
60.01714	0.8
67.01879	0.9
67.17343	0.6
68.77570	0.5
68.99821	1.1
71.01379	11.6
71.53646	0.6
72.99308	1.0
73.02943	7.3
79.01854	0.7
79.27187	0.6
81.03452	1.5
83.01377	5.5
84.87653	0.7
85.02949	8.5
87.00875	6.3
89.02439	2.7
93.03475	1.0
95.05080	0.8
99.00266	1.2
99.00874	13.2
99.04514	58.6
100.04842	1.3
101.02435	29.3
103.04013	5.4
105.20193	0.7
109.02977	3.2
109.27980	0.6
111.00861	3.8
113.02435	5.1
115.00368	19.0
117.05577	4.8
119.04945	0.7
121.02915	0.9
125.02437	22.1
129.01900	1.3
133.02982	4.8
134.97556	0.8
135.04532	4.5
135.33571	0.6
137.02502	0.6
139.00369	5.8
143.03500	5.6
147.04523	1.2
149.06064	13.7
157.01411	3.3
159.02994	3.5
159.04163	0.7
159.48738	0.6
161.02438	21.9
161.04549	4.2
161.05971	1.4
162.02982	1.1
163.04002	1.1
165.01923	4.7
165.05580	0.7
174.03195	0.7
175.02455	12.7
175.04004	4.0
177.01918	27.4
177.05530	1.1
178.02332	0.8
179.03468	2.4
187.04056	1.0
188.04951	0.9
189.05539	1.8
191.01944	0.8
191.05504	1.0
193.05020	1.8
195.06641	1.1
203.03523	0.7
205.05154	1.3
206.02145	4.9
209.00984	1.6
219.02985	3.4
221.10284	25.4
222.10558	0.8
233.04526	19.1
234.04956	1.5
237.03998	4.9
263.11334	14.0
265.09253	2.4
275.05661	0.9
277.03516	46.9
278.03909	2.3
293.06543	1.9
303.14438	6.3
304.14874	0.7
307.10239	2.0
319.04538	19.7
320.04767	0.8
321.11792	0.7
321.15445	1.3
337.05569	13.2
338.05884	1.2
365.14487	100.0
366.14771	7.4
499.10901	2.9
502.42850	0.7
547.11230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06179	0.3
50.09465	0.3
59.01377	9.4
61.98829	24.2
62.98544	0.3
63.87045	0.3
63.99249	0.6
69.80415	0.3
71.01378	0.8
73.02952	0.5
75.00883	0.4
81.02208	1.0
82.03001	1.0
83.05007	0.4
85.02953	1.3
87.04538	0.5
89.02484	0.4
95.04993	0.4
96.96013	0.8
97.06602	0.4
97.80446	0.3
98.19984	1.1
98.20683	0.6
99.00883	0.3
99.04520	4.9
100.04855	0.4
103.05540	1.2
107.02494	0.2
109.06573	0.5
119.05018	1.5
121.02950	3.9
122.03313	0.7
135.08199	0.4
139.04005	0.5
147.04515	100.0
148.04852	3.8
150.05621	1.8
176.07164	0.5
184.05290	0.3
207.10289	0.5
209.11873	0.6
211.13313	0.5
253.08911	0.5
282.15134	0.3
427.20868	0.4
483.23892	1.0
496.27493	0.4
522.24963	2.1
554.27539	0.9
555.27155	0.3
572.29028	0.4
599.28583	0.5
600.28827	1.3
621.28802	0.4
626.30774	1.4
642.30389	1.1
643.28271	0.6
644.31622	0.3
650.50464	0.3
660.30969	1.4
670.30157	11.7
671.30829	1.9
685.28833	0.5
702.32776	17.7
703.33325	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	702.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12786	0.2
57.03435	0.2
59.01367	0.4
63.72359	0.2
69.75194	0.4
69.75607	1.0
81.90368	0.2
85.02964	1.1
98.20703	0.3
116.05068	2.4
120.72038	0.2
120.99761	0.3
145.32205	0.2
159.03230	0.5
160.04033	100.0
161.04399	3.7
166.09613	0.2
172.17499	0.2
191.01970	0.2
204.03006	3.9
209.02943	0.6
255.55368	0.2
297.16821	0.3
317.00327	0.2
366.08255	46.7
367.08572	3.3
367.12683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01721	1.1
61.98835	3.1
62.65725	0.4
66.93043	0.3
75.00900	0.4
85.02948	3.5
86.03345	0.4
98.20097	2.1
99.04537	0.4
99.16692	0.4
103.00354	0.5
116.08254	0.3
116.92895	0.9
147.04526	3.2
154.44553	0.3
161.74799	0.3
173.94550	0.3
227.10785	0.6
333.51376	0.4
360.89731	0.4
377.89044	0.5
507.23654	0.5
525.25244	0.5
536.95251	0.4
539.26892	1.2
567.25891	2.3
585.27148	1.0
599.28827	4.7
600.29810	1.0
625.29010	0.5
657.30560	0.8
701.29858	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	701.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
59.01379	7.7
61.98830	100.0
62.98530	1.0
63.99250	1.0
68.99574	1.5
71.01391	0.6
71.53036	0.3
72.99284	0.3
73.02940	0.4
78.95930	0.5
83.01418	0.3
83.05035	0.3
84.27926	0.2
84.39520	0.3
85.02946	1.5
95.01391	0.5
96.96008	0.3
97.03027	0.4
97.06618	0.4
98.00123	0.4
99.00882	0.3
99.04517	15.0
100.04883	0.3
101.06075	0.4
105.07111	0.3
107.05093	0.3
109.02931	0.3
111.00945	0.3
111.04520	0.3
111.08129	0.4
112.98556	1.2
121.02956	3.3
127.04047	0.8
133.06625	0.4
147.04526	2.1
147.08223	0.4
171.10309	0.3
175.03975	0.3
185.09689	0.4
187.11304	0.4
199.07625	0.4
206.18109	0.3
209.11801	0.4
211.11545	0.3
211.13498	0.8
213.09209	0.8
427.21481	0.8
481.26291	0.3
509.25711	1.2
511.23572	0.4
533.25745	0.5
539.26996	0.5
541.28412	1.0
543.26239	0.5
551.26794	0.6
553.24689	0.3
557.26196	0.9
566.25110	0.4
569.24622	0.6
575.27118	0.6
585.27057	6.8
586.27911	1.1
593.27631	1.4
619.26196	0.8
625.30237	0.7
626.31030	0.3
627.28223	1.9
637.26239	3.1
638.27515	0.4
659.31036	0.7
660.30206	0.3
665.29883	0.6
669.29199	11.4
670.18604	0.4
670.29126	1.8
683.30597	0.4
701.30255	4.1
702.31567	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
57.03448	100.0
58.03790	1.4
59.01376	73.2
61.98819	0.8
67.23206	0.7
70.70850	0.9
70.71188	1.8
71.01379	13.5
73.02938	5.4
81.03427	1.5
83.01390	3.9
85.02942	7.2
85.82125	0.9
87.00848	1.2
89.02441	2.9
94.54091	0.7
95.01367	1.0
96.96022	1.9
99.00889	2.5
99.04517	83.6
100.04836	1.2
101.02441	38.4
102.02789	0.8
113.02458	6.6
119.03485	0.8
125.02443	26.8
126.02743	1.1
143.03487	6.9
153.01903	1.6
159.03024	1.8
161.04532	8.6
193.05057	1.5
235.11845	32.7
236.12202	1.4
252.38628	0.9
277.12952	14.6
278.13113	1.5
298.09470	1.8
317.16028	6.3
335.17209	2.1
344.81287	0.9
379.16055	83.3
380.16388	6.4
419.14908	0.9
562.56531	0.9
625.52118	0.9
670.22369	3.0
702.24310	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.1
58.00581	1.2
59.01113	0.5
59.01382	6.1
61.11572	0.4
61.98830	5.3
63.19615	0.4
69.03452	0.6
70.28288	1.3
71.01389	3.2
73.02943	1.6
83.05037	0.8
83.36880	0.4
85.02956	1.1
87.00862	0.6
89.02435	2.1
96.96019	1.4
97.06586	0.7
99.04489	0.8
101.02449	2.2
107.05042	0.6
108.28538	0.4
109.06588	1.1
111.08180	3.2
113.02448	1.2
119.03504	0.7
123.08168	10.2
125.02429	0.8
125.09702	0.5
127.04014	1.4
127.11313	2.8
128.75203	0.5
131.08646	0.6
135.04550	0.4
135.08147	0.7
137.09731	4.5
139.07642	0.5
139.11304	2.3
141.09219	0.9
148.04106	0.4
149.09723	21.7
150.06871	3.8
150.10072	0.7
151.07399	0.4
151.78519	0.4
152.01093	0.5
153.09187	0.9
153.42148	0.5
155.10760	1.2
161.04567	0.8
163.07626	3.6
164.08278	0.5
165.09167	1.4
167.10783	15.2
173.08299	0.6
177.09203	0.5
179.10812	1.0
183.13956	0.7
185.11884	0.4
187.09761	1.4
211.13409	4.9
217.10817	1.6
231.12366	100.0
232.12732	4.9
277.44269	0.4
292.16876	1.3
306.18323	5.1
307.19089	3.5
386.59204	0.5
397.13388	3.3
415.14658	1.0
453.66248	0.5
469.23700	0.5
609.27545	1.3
663.12408	0.5
683.36896	0.5
701.37646	53.5
702.27466	0.5
702.38031	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	701.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.9
60.72756	0.6
61.98829	17.4
68.99828	1.2
69.25154	4.6
71.01387	1.3
73.02932	1.6
75.00868	0.8
77.51118	0.6
78.51530	0.6
78.95914	0.7
81.02161	0.6
81.03484	0.7
85.02951	100.0
86.03297	1.9
95.05036	0.8
96.95982	1.1
98.00088	3.5
99.04501	3.2
99.92567	0.9
101.02489	0.8
107.05016	0.6
115.05547	6.1
116.92879	3.6
121.02966	1.2
123.04588	0.8
129.07111	0.7
133.06702	0.7
133.10159	0.6
141.07111	8.2
143.05023	4.5
145.06557	1.3
147.04539	8.6
147.08185	0.9
155.08636	1.5
156.05832	1.1
157.06564	4.8
159.08168	0.8
161.06065	0.7
167.08659	0.8
171.04495	0.9
171.08093	1.6
171.10327	2.0
173.06067	0.7
183.04509	1.5
184.05296	9.4
185.06099	2.3
197.06123	0.8
199.03726	0.6
209.11800	1.2
211.07784	0.9
215.07109	0.9
218.11041	1.4
247.14857	0.9
253.29153	0.6
273.12848	0.7
273.16519	1.3
279.07123	0.6
407.22888	0.6
427.21063	1.0
481.22220	2.4
495.25253	1.4
539.24335	1.0
571.26740	0.8
575.27130	0.9
581.29089	16.5
582.29089	3.2
597.28784	4.0
598.29193	0.7
599.29999	0.8
613.31793	9.2
614.32166	1.4
619.25348	0.8
625.28076	15.9
626.28375	3.4
657.30664	7.3
658.31140	2.0
669.26874	6.5
670.27509	1.7
701.29639	40.8
702.29852	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	701.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98830	51.1
67.43420	0.8
68.99555	1.4
71.01364	2.5
71.54171	1.4
72.99296	0.9
73.02937	1.5
85.02950	3.6
87.00883	1.5
88.98800	0.9
90.92190	0.9
95.05025	0.9
96.96005	3.2
96.96970	1.0
97.02901	0.9
99.00865	1.5
99.04520	60.0
100.04881	0.9
101.06075	1.4
112.98546	2.0
113.02496	0.9
121.02944	15.2
135.08125	1.7
139.04033	1.6
147.04500	14.8
171.10307	1.0
257.00885	1.0
272.40140	1.1
318.26193	1.1
431.24280	2.0
465.26550	1.7
479.24670	0.9
495.27631	5.9
496.28305	1.5
497.25583	1.5
513.28729	8.7
514.29199	1.9
525.24591	0.9
537.28741	2.2
555.30328	1.1
557.27783	6.3
558.28107	1.5
579.29431	3.4
581.27533	1.3
597.30304	2.5
599.28607	37.7
600.28784	5.8
611.28418	1.8
623.28436	1.2
625.30206	5.4
639.29291	1.5
641.29736	20.1
642.30328	2.8
657.31525	1.4
659.30475	2.1
669.31354	1.2
670.30353	2.4
701.32416	3.9
702.32550	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91003	1.0
55.75254	1.0
59.01381	63.8
61.20475	1.0
61.98831	100.0
63.76120	1.0
68.99547	1.2
71.01375	3.0
71.53208	1.9
79.19686	1.0
79.95741	3.2
80.96508	2.5
82.50137	1.1
83.04984	1.6
85.02952	8.5
95.05045	1.4
96.96013	73.2
99.00915	1.2
99.04519	63.7
101.06050	1.5
112.98547	1.5
114.93392	2.0
118.69963	1.0
121.02972	5.9
122.03288	1.5
135.08131	4.3
139.03996	1.3
147.04521	7.0
147.08179	1.7
150.75313	1.0
160.59895	1.2
166.04922	1.0
171.10269	1.7
174.01675	1.4
209.11815	2.2
215.10950	1.3
237.14833	2.0
413.23248	4.8
431.24673	2.8
436.66315	1.4
465.26303	1.5
495.27545	5.4
496.27649	1.6
513.28479	11.1
514.29425	1.6
557.27441	4.1
579.29572	2.4
599.28662	25.1
600.29132	3.4
613.30627	1.8
615.26788	1.6
638.26636	4.3
641.29614	48.9
642.29919	7.1
669.29272	1.3
670.29926	1.7
701.29364	11.8
702.32367	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.19040	1.4
61.98838	8.0
63.67909	1.4
69.20245	4.8
69.20669	8.8
76.91360	1.3
78.95899	3.7
94.49361	1.6
97.33757	1.3
109.72927	1.5
147.13239	1.6
152.99506	3.0
255.23193	3.9
277.21780	1.6
341.21835	1.7
341.76669	1.7
355.35934	1.7
402.23700	1.6
438.13458	3.6
481.15137	48.5
482.15689	10.3
491.64236	1.7
495.16727	12.5
496.17050	4.1
497.18295	6.8
539.15692	3.3
540.16351	14.0
541.16705	2.3
553.17395	1.7
554.18634	1.7
555.18842	82.8
556.18835	15.2
567.18268	3.0
569.20367	2.6
572.15594	23.0
573.15692	5.5
586.17090	5.5
600.19049	1.6
627.20374	1.8
641.06769	1.8
641.22583	42.2
642.22833	9.6
701.24646	93.8
702.24951	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	701.2809
Annotation	Taccalonolide A
Peak:m/z	Relative Intensity
54.24693	0.8
56.35603	0.9
57.03450	1.1
59.01377	37.4
60.43727	0.8
61.59963	0.8
61.98830	13.5
68.47123	0.9
68.99599	0.9
69.29002	6.5
71.01363	4.0
72.99308	6.2
73.02914	1.0
79.05540	2.4
81.55872	0.8
83.05029	3.9
85.02956	6.4
87.00868	2.9
88.98747	0.8
93.03442	1.2
95.05031	2.4
96.96008	5.8
97.06587	1.4
98.20419	3.7
99.04522	6.6
101.02441	1.4
103.00356	2.4
107.05052	3.8
109.02887	1.4
109.06573	1.6
111.04504	1.8
115.00395	0.9
118.37979	1.0
121.02956	85.9
121.06554	1.2
122.03280	2.1
127.04003	2.0
127.26803	0.8
133.01372	2.8
135.04491	2.1
135.08174	1.9
137.06090	1.1
147.04510	2.0
155.63181	0.8
159.08127	2.8
163.07664	1.7
167.07123	1.6
171.08139	1.1
175.07678	1.2
189.09207	1.1
192.57384	0.8
218.93346	1.0
222.86974	0.7
230.18947	0.9
243.14111	1.4
271.13290	1.3
283.10693	1.6
287.12982	1.8
329.13947	1.3
345.16910	1.0
346.17160	1.1
353.17499	1.0
371.18631	2.5
387.18219	6.2
413.19531	1.7
431.20697	2.0
479.50470	0.8
480.84976	1.1
491.20331	1.2
493.22369	5.8
525.24561	1.2
531.26135	1.6
535.23120	2.5
539.26074	1.0
541.24194	1.1
559.24982	1.1
579.23615	1.0
587.24951	1.1
609.23407	1.5
625.16821	2.4
641.25946	11.0
642.26709	1.2
657.34210	1.1
669.26147	1.1
701.28088	100.0
702.28400	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	28.2
60.64229	1.0
61.98833	28.2
71.20448	0.8
71.52628	1.3
85.02948	2.1
91.96922	0.9
96.96015	0.9
99.04523	53.1
101.02433	0.9
103.05533	2.4
111.13010	0.9
119.04998	2.4
121.02969	5.7
131.05029	1.6
133.06570	2.5
145.06563	1.5
145.87581	0.9
147.04526	81.6
148.04857	3.6
161.09686	1.1
173.09689	1.7
185.09679	1.3
187.11263	1.4
211.13438	5.0
258.82666	0.9
300.47205	1.1
300.75388	0.9
422.35172	0.9
504.21234	1.0
527.26056	1.1
539.26654	5.5
554.07257	0.9
555.25684	1.3
581.27466	2.3
641.29694	2.4
657.30774	15.7
658.31012	1.9
701.29633	100.0
702.29974	19.7
728.46173	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03434	0.3
59.01379	100.0
60.01723	0.6
61.98830	20.3
69.23370	3.0
71.01387	1.3
72.99301	0.6
73.02946	0.3
81.02211	0.9
82.03020	0.9
83.05040	0.4
85.02942	1.7
89.02449	0.6
96.96008	2.5
99.04517	11.4
101.02463	0.9
105.46918	0.3
111.04531	0.4
113.02489	0.4
121.02979	1.4
126.05623	0.5
147.04507	0.9
158.06175	0.6
168.06621	0.3
169.35429	0.3
186.13304	0.3
203.09512	2.2
204.09819	0.3
240.72179	0.4
245.10501	0.4
282.79059	0.3
285.13861	0.6
295.15503	1.9
313.52573	0.3
471.24173	0.5
473.25064	0.4
559.25806	0.5
580.29395	0.6
587.25104	0.4
598.30243	8.4
599.30811	1.2
604.28638	0.4
622.29047	0.6
640.31244	39.7
641.31665	6.7
656.33746	0.5
668.24219	0.7
682.32269	5.4
683.33087	0.7
700.33655	6.2
701.33997	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33607	1.1
59.01379	40.3
61.98830	100.0
62.98507	1.4
71.01351	1.2
71.53831	1.2
72.99303	3.6
78.95905	2.6
83.05006	2.5
85.02945	3.3
87.04523	2.6
95.01414	1.5
96.96010	40.0
96.96938	1.7
98.14709	1.5
98.20343	1.7
98.50909	1.3
98.95586	19.3
98.96356	2.6
99.00854	4.2
99.03928	1.9
99.04524	25.8
103.26598	1.2
111.08095	1.7
115.92034	1.6
119.26457	1.1
121.02944	4.3
121.06576	1.2
123.04598	1.3
147.04495	6.5
147.08200	1.4
171.10263	4.2
172.10533	1.4
183.13789	1.2
197.11812	2.4
209.11807	3.9
211.13416	13.7
213.09149	1.4
230.09280	1.2
265.86975	1.4
316.61856	1.3
431.24316	16.1
432.24667	1.9
440.83643	1.3
473.25278	2.2
509.25891	1.7
513.28558	8.6
581.27710	1.4
585.26715	3.6
593.27478	2.4
599.28113	3.5
625.30084	1.9
632.85559	1.4
637.26056	3.6
641.29291	6.5
659.29919	1.9
669.29510	12.0
701.30780	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01426	5.8
55.17917	5.4
58.25952	4.5
59.01377	49.5
61.98835	100.0
69.05997	5.1
70.70940	15.8
85.02940	7.1
86.89520	6.2
88.87753	5.2
92.04346	5.1
96.96015	12.9
99.04505	28.4
102.37657	5.6
116.92876	12.3
121.02963	55.8
122.03270	6.8
127.89914	5.6
242.14418	6.0
423.95493	6.6
503.19061	13.5
638.26691	9.7
701.23108	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	701.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98839	1.0
80.56483	0.4
92.82973	0.3
98.20267	2.5
157.03001	0.5
201.01926	0.4
216.25484	0.4
267.54199	0.5
270.86212	0.4
287.26700	0.4
388.14044	0.4
437.12558	1.0
438.13202	2.9
439.14059	0.8
451.13974	1.1
452.14914	1.8
453.15814	0.5
455.09961	0.6
464.91425	0.5
466.12701	0.7
467.13281	0.7
469.11298	0.5
470.12326	0.6
480.14169	0.9
481.15155	33.8
482.15552	6.4
484.14044	0.4
495.16788	13.2
496.17331	2.5
497.18286	5.9
498.18674	0.5
514.14880	2.4
515.14948	0.6
525.14465	1.3
528.16595	0.5
539.15497	1.9
540.16467	8.8
541.16718	1.1
553.17499	0.7
554.18365	2.6
555.18866	55.1
556.19067	10.5
567.18890	1.1
568.18970	0.4
572.15491	16.5
573.15765	3.2
586.17200	5.6
587.17249	1.4
588.81024	0.5
609.20264	2.2
610.19525	0.6
627.20996	1.7
641.22540	28.6
641.65363	0.4
642.22766	6.1
701.24646	78.4
702.24896	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	700.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49611	0.2
59.01377	7.9
60.01708	0.4
61.98829	100.0
62.98543	0.3
63.99253	0.6
68.99570	0.9
71.01392	0.6
73.02908	0.3
82.03038	0.3
82.95380	0.2
83.05042	0.2
85.02954	2.4
87.04552	0.3
96.96006	5.2
97.02944	0.3
98.20613	0.4
98.93217	0.2
99.00889	0.2
99.04520	8.3
100.04871	0.7
101.02454	0.2
108.04607	0.3
110.06116	0.5
111.04506	0.3
112.98538	1.0
118.80910	0.2
121.02978	1.7
122.03313	0.2
126.42971	0.2
135.04576	0.2
135.08170	1.0
136.08492	0.2
147.04543	2.3
147.08128	0.2
148.04871	0.8
149.05084	0.3
149.66841	0.2
154.05112	0.5
154.84879	0.2
157.10283	0.2
187.10081	0.3
199.11305	0.2
213.14996	0.2
216.98517	0.2
286.14520	0.3
295.15363	0.2
433.33475	0.2
505.91162	0.2
564.29309	0.3
582.31012	0.8
596.28827	0.6
596.39441	0.6
608.27869	0.3
624.31598	0.3
626.29663	3.0
627.30945	0.3
637.26782	0.4
638.30463	0.7
655.41254	0.5
656.31982	0.8
656.41461	0.5
658.28961	0.6
668.30719	8.8
669.30988	0.7
700.30573	1.4
701.31122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.2
61.98829	100.0
62.98518	0.1
67.79757	0.1
68.99580	0.3
71.01405	0.2
83.05074	0.1
85.02963	0.4
88.98805	0.1
96.96017	0.1
99.04517	2.1
101.06087	0.5
102.06411	0.1
109.06659	0.1
112.98579	0.2
121.02957	1.1
128.32462	0.1
135.04648	0.1
147.04547	0.4
153.38820	0.1
158.48401	0.1
171.10284	0.7
209.11899	0.1
211.13501	0.1
213.09219	0.1
253.08783	0.1
267.19226	0.1
575.26617	0.1
576.40582	0.1
585.26971	0.6
627.28418	0.2
637.26715	0.3
638.34326	0.1
669.28900	0.9
700.33856	0.2
701.30573	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17847	0.1
59.01378	1.7
61.98827	100.0
72.99345	0.1
85.02958	0.4
96.96008	3.3
96.96607	0.2
98.20690	0.3
98.95600	0.1
99.04526	0.5
121.02962	0.6
131.55424	0.1
136.16322	0.1
139.03978	0.2
140.62308	0.1
147.04501	1.5
148.04776	0.6
149.05165	0.2
229.62498	0.1
429.17426	0.1
490.21985	0.2
491.22107	0.4
492.22345	0.3
513.01642	0.2
700.24011	0.5
701.25354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49611	0.2
59.01377	7.9
60.01708	0.4
61.98829	100.0
62.98543	0.3
63.99253	0.6
68.99570	0.9
71.01392	0.6
73.02908	0.3
82.03038	0.3
82.95380	0.2
83.05042	0.2
85.02954	2.4
87.04552	0.3
96.96006	5.2
97.02944	0.3
98.20613	0.4
98.93217	0.2
99.00889	0.2
99.04520	8.3
100.04871	0.7
101.02454	0.2
108.04607	0.3
110.06116	0.5
111.04506	0.3
112.98538	1.0
118.80910	0.2
121.02978	1.7
122.03313	0.2
126.42971	0.2
135.04576	0.2
135.08170	1.0
136.08492	0.2
147.04543	2.3
147.08128	0.2
148.04871	0.8
149.05084	0.3
149.66841	0.2
154.05112	0.5
154.84879	0.2
157.10283	0.2
187.10081	0.3
199.11305	0.2
213.14996	0.2
216.98517	0.2
286.14520	0.3
295.15363	0.2
433.33475	0.2
505.91162	0.2
564.29309	0.3
582.31012	0.8
596.28827	0.6
596.39441	0.6
608.27869	0.3
624.31598	0.3
626.29663	3.0
627.30945	0.3
637.26782	0.4
638.30463	0.7
655.41254	0.5
656.31982	0.8
656.41461	0.5
658.28961	0.6
668.30719	8.8
669.30988	0.7
700.30573	1.4
701.31122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63666	1.3
52.12474	1.1
59.01378	58.8
60.01708	1.7
61.98830	100.0
65.10461	1.2
71.01375	6.1
72.98043	1.4
73.14516	1.1
73.34957	1.2
81.03432	1.7
83.01347	1.3
83.04997	2.6
85.02939	12.6
87.00861	2.2
88.98793	2.2
89.02441	2.9
95.01408	1.9
96.96014	14.5
96.96948	1.6
97.06557	1.6
99.04012	1.2
99.04527	13.5
99.92615	5.7
101.02444	7.0
101.06113	1.9
111.08162	1.2
113.02439	1.9
115.92099	7.9
116.92863	15.7
121.02961	11.8
122.03297	1.7
125.09705	3.5
147.04495	3.5
161.04507	1.6
171.10258	17.9
172.10760	1.6
205.16019	1.6
209.11852	2.9
211.13336	4.6
231.14041	2.0
233.15436	6.9
235.08173	2.3
249.14977	10.4
253.09149	2.1
259.25629	1.4
385.23697	4.1
403.24747	10.3
421.25900	2.8
435.27493	1.2
485.23938	1.7
555.25751	2.0
579.26959	1.6
592.32092	5.7
597.27161	3.3
611.33441	1.6
621.32819	24.5
622.33057	4.1
639.34210	29.5
640.33838	4.3
661.26227	1.5
663.27649	3.4
667.29828	1.7
681.20227	4.4
681.30945	1.5
699.20953	5.2
699.30945	3.7
699.42902	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	699.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01070	1.3
59.01381	49.8
61.98829	64.3
62.98536	0.8
62.99245	0.6
63.99251	2.0
71.01389	0.7
83.05051	0.8
85.02948	27.8
96.96010	5.1
98.19866	1.5
99.04517	21.5
100.04877	0.6
121.02955	100.0
122.03303	3.5
133.06668	0.9
141.05727	0.7
147.04535	2.5
159.08107	0.6
160.26704	0.6
171.10207	0.7
199.01350	0.6
230.28186	0.6
231.10255	0.8
323.14792	0.7
451.33640	0.6
495.23795	1.2
513.24768	2.9
514.24377	0.7
535.26984	1.0
537.25055	0.9
547.26904	1.4
557.39587	0.8
565.27777	1.0
579.29639	23.2
580.29974	3.3
595.38641	0.7
597.30743	9.6
598.31299	1.0
605.28064	0.7
607.22253	1.0
623.28552	7.9
624.28723	0.8
636.27039	1.0
637.28723	2.6
638.31140	0.8
639.31372	2.6
655.30127	3.0
661.26538	2.1
667.28607	1.7
681.28839	2.1
699.30042	7.7
700.30664	1.2
728.55487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01070	1.3
59.01381	49.8
61.98829	64.3
62.98536	0.8
62.99245	0.6
63.99251	2.0
71.01389	0.7
83.05051	0.8
85.02948	27.8
96.96010	5.1
98.19866	1.5
99.04517	21.5
100.04877	0.6
121.02955	100.0
122.03303	3.5
133.06668	0.9
141.05727	0.7
147.04535	2.5
159.08107	0.6
160.26704	0.6
171.10207	0.7
199.01350	0.6
230.28186	0.6
231.10255	0.8
323.14792	0.7
451.33640	0.6
495.23795	1.2
513.24768	2.9
514.24377	0.7
535.26984	1.0
537.25055	0.9
547.26904	1.4
557.39587	0.8
565.27777	1.0
579.29639	23.2
580.29974	3.3
595.38641	0.7
597.30743	9.6
598.31299	1.0
605.28064	0.7
607.22253	1.0
623.28552	7.9
624.28723	0.8
636.27039	1.0
637.28723	2.6
638.31140	0.8
639.31372	2.6
655.30127	3.0
661.26538	2.1
667.28607	1.7
681.28839	2.1
699.30042	7.7
700.30664	1.2
728.55487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88761	0.2
61.98829	100.0
69.73924	1.1
74.51173	0.2
97.48097	0.2
176.98863	0.2
701.31482	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89543	0.1
61.98828	100.0
68.99562	0.1
71.27953	0.2
71.28302	0.1
428.73395	0.1
508.72626	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	699.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04837	0.3
59.01365	1.2
59.04498	0.3
60.99293	1.4
61.98819	0.4
64.53985	0.4
65.00324	0.8
69.35873	0.7
69.36279	3.0
71.01382	0.6
83.01425	0.6
85.02951	1.9
88.98805	4.3
89.02477	0.5
96.96018	1.5
101.02452	2.2
107.01389	1.7
108.02176	1.0
109.02957	0.9
119.04990	2.7
121.02957	1.4
125.02453	0.6
129.01944	6.4
130.93947	0.4
135.00888	0.6
147.02985	2.3
148.01645	0.8
151.00372	7.7
161.02333	0.5
163.00372	1.4
163.04004	3.8
178.99854	3.7
211.04013	0.8
216.04175	0.4
226.02776	0.6
227.03458	1.5
229.04955	0.5
243.02986	5.4
245.04552	1.0
254.02200	1.9
255.02982	16.9
256.03342	0.8
271.02466	35.0
272.02905	3.0
273.03937	0.8
283.02316	1.0
293.06754	1.6
299.01831	0.6
300.02734	70.1
301.03445	27.3
302.03906	1.3
307.12189	0.9
308.12390	0.8
309.12048	0.4
343.04688	0.5
405.21417	2.9
609.14575	100.0
610.14935	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	699.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
58.24884	0.3
59.01382	1.2
63.53475	0.2
64.88100	0.2
69.42841	0.5
69.43266	1.3
71.01372	1.3
72.99327	0.3
83.01423	0.4
85.02953	5.4
89.02461	0.5
93.03460	0.6
96.96018	0.8
98.19885	0.3
98.20450	0.8
101.02444	0.7
111.00874	0.4
115.00388	0.2
119.05026	89.6
120.05363	3.3
128.03554	0.3
129.01952	0.8
133.02954	0.4
147.03040	1.3
161.04572	0.3
161.89085	0.3
163.04010	100.0
164.04333	3.9
166.98062	0.2
191.01990	3.0
191.03503	0.5
193.05106	0.3
205.05177	0.3
209.03050	1.7
237.04161	0.3
313.05640	0.6
325.09271	22.3
326.09625	1.8
373.14844	0.5
385.07938	0.6
458.96332	0.3
481.17328	0.3
500.11044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
59.01381	100.0
60.01722	0.7
61.98830	12.6
61.99124	1.0
69.03458	0.6
71.01400	1.1
73.02966	1.2
79.05545	0.5
81.03474	1.0
83.05035	3.9
84.02187	0.7
84.95155	0.5
85.02955	1.4
93.03512	0.8
95.05050	0.7
96.96025	0.9
99.04523	29.9
101.06119	0.8
103.05466	0.6
109.06577	2.5
116.92847	0.7
119.05062	0.7
121.02959	6.9
121.03609	0.6
122.03330	2.0
123.04533	0.6
128.82880	0.6
135.04631	0.7
141.05614	1.2
145.06665	1.3
147.04529	18.5
147.05664	1.1
148.04886	0.8
157.06644	1.0
160.05339	0.9
161.06108	0.9
161.09782	0.6
171.04573	0.9
171.08163	1.3
171.10313	2.9
173.06165	0.7
174.06989	0.5
177.64755	0.5
185.09715	1.1
189.09300	1.4
197.06230	0.6
198.06804	0.8
199.07716	1.0
199.11441	0.7
201.09335	1.5
209.11885	0.5
213.09372	1.1
218.09464	0.9
225.09164	0.5
229.08665	1.3
231.10373	0.7
241.08839	1.7
245.11787	4.7
247.86382	0.5
259.09802	0.8
273.11481	1.4
274.12347	2.1
289.91736	0.5
309.20779	1.0
407.74475	0.6
437.20090	0.8
455.20642	4.1
473.21838	4.6
515.22742	7.4
527.26605	0.7
537.24921	1.3
551.26605	0.7
555.26013	4.2
557.23901	16.0
558.24133	2.6
569.28168	0.7
571.26343	1.0
579.26392	1.4
597.27032	16.4
598.27679	2.8
615.29248	2.1
639.28192	7.8
639.37256	0.5
640.29681	1.5
653.33472	0.6
657.29266	3.4
663.28387	0.7
667.29077	6.7
668.30450	1.5
681.30908	1.2
699.32129	21.5
700.32245	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	698.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	36.3
60.01715	1.1
61.98834	24.0
62.94053	1.0
68.52699	0.9
71.01389	4.4
71.54556	1.4
72.11043	1.0
72.99296	5.4
73.02954	1.1
75.45397	1.0
81.03458	1.0
85.02944	5.7
87.00873	14.5
88.98802	3.0
89.02456	1.4
95.05045	1.2
96.96014	3.6
99.04529	1.6
99.92589	1.2
101.02436	2.3
115.00390	2.1
116.92876	1.8
119.05059	1.2
121.02942	2.6
123.53063	1.0
125.02433	1.0
144.84026	0.9
147.04533	2.3
151.11278	1.3
153.45134	0.9
175.02415	1.4
177.09160	1.0
179.10693	1.2
190.25583	0.9
218.08008	0.9
249.14973	3.1
277.14624	1.2
278.15320	2.2
342.29761	1.1
415.25244	1.6
427.24927	3.6
445.25891	13.7
446.26108	1.7
487.27011	100.0
488.27411	14.7
489.25180	1.0
493.32086	1.3
531.25854	6.8
549.27026	3.2
591.28125	14.4
592.28546	2.1
635.26611	6.9
655.36963	3.2
697.39386	1.7
698.28369	4.3
699.28931	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	698.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52724	0.2
59.01379	100.0
60.01712	1.0
61.98830	31.4
71.01379	0.6
71.77011	0.2
72.81290	0.2
73.01160	0.4
83.05029	0.4
85.02953	0.9
87.00835	0.3
87.42896	0.3
89.02412	0.3
96.95979	0.3
98.20027	1.2
98.20698	0.4
99.04513	1.6
99.31439	0.2
121.02954	5.4
122.95331	0.2
125.09657	0.3
135.08037	0.3
147.04564	0.2
161.04483	0.3
171.10258	2.3
209.11746	0.4
211.13307	0.4
233.15227	1.0
249.14648	1.0
253.88634	0.2
367.22812	0.2
385.23120	0.7
403.24170	1.0
415.84900	0.3
427.28091	0.5
517.26587	0.4
531.28571	0.8
549.30664	2.6
579.29761	1.3
591.31683	4.9
592.30463	0.7
597.27234	0.7
621.32782	3.4
635.28986	1.6
636.30145	0.3
639.33820	3.3
656.29620	0.5
699.28693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54823	0.2
57.03465	0.3
58.22246	0.3
59.01378	8.2
61.98830	21.0
71.01386	1.2
73.02934	0.4
80.91681	0.4
81.02204	0.5
81.03458	0.4
82.02970	0.4
82.70524	0.3
82.95398	0.3
83.05033	0.7
83.53212	0.2
85.02950	100.0
86.03295	1.5
87.00864	0.3
88.80379	0.3
88.98804	0.4
95.04985	0.4
96.96009	0.5
99.04522	5.3
105.52384	0.3
107.05057	0.5
109.06582	0.8
111.04508	0.7
121.02946	3.7
125.40596	0.2
131.03186	0.2
133.06628	0.3
135.04559	0.8
147.04497	1.9
149.06104	0.4
150.05617	0.9
151.04076	0.3
163.07721	0.3
168.06622	0.5
227.09631	0.3
230.53769	0.3
284.12958	0.8
503.22873	1.8
504.23080	2.1
580.25220	1.7
586.27374	0.8
612.28101	5.3
613.28644	0.9
618.29596	0.4
619.28625	0.4
622.27972	0.3
635.24854	0.5
637.30273	2.3
638.26648	0.3
639.28717	0.4
648.28271	0.5
666.29236	9.2
667.29846	1.4
698.31897	3.0
699.30188	2.5
704.77350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76660	0.3
54.08529	0.3
54.78288	0.3
56.26607	0.3
56.59543	0.3
61.98830	100.0
79.20017	0.3
81.43577	0.3
81.84037	0.3
98.19854	0.6
114.83611	0.3
116.92914	0.3
152.84329	0.3
293.51697	0.3
476.31729	0.4
703.36401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.3
60.01714	0.3
61.98831	100.0
66.70317	0.1
71.52557	0.2
73.18071	0.1
85.02947	0.3
88.98815	0.4
96.96021	0.1
99.04523	1.1
99.92589	0.1
101.06124	0.2
116.92875	0.4
121.02959	1.1
121.03793	0.1
122.03296	0.2
126.94870	0.1
129.89940	0.1
147.04526	1.4
171.10301	0.4
189.09299	0.1
227.76079	0.1
245.11911	0.3
572.28485	0.1
621.27106	0.1
667.29352	0.4
698.28876	0.1
699.20941	0.2
699.31842	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	698.257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
57.03428	0.8
58.00579	0.7
59.01379	19.2
60.01715	0.6
61.98823	1.8
62.02467	0.4
69.28506	4.6
71.01384	11.0
72.99302	1.3
73.02945	1.6
80.05053	1.7
83.01392	1.0
85.02961	2.8
87.00896	0.8
88.04042	1.5
88.98800	1.6
89.02439	9.0
95.01389	0.9
96.96044	1.0
97.82491	0.5
98.20023	1.9
98.54181	0.5
99.00795	0.5
101.02448	6.4
104.05043	0.7
106.06616	3.1
108.04548	2.2
113.02468	4.3
119.03498	2.6
122.06120	1.7
122.42233	0.6
125.02422	0.7
129.87238	0.6
132.04509	1.2
134.06123	12.5
136.07651	1.8
146.06105	1.1
148.04019	0.6
150.03214	0.5
152.07175	3.4
160.04025	1.4
160.07661	0.7
160.61580	0.5
161.04567	0.5
173.04880	0.6
174.05534	0.9
180.06657	2.2
188.07188	4.0
190.04916	0.6
208.15572	0.5
209.07399	0.5
211.08783	1.1
223.08745	0.7
223.12221	0.6
224.09392	0.9
225.10298	3.2
226.11099	0.5
227.11896	2.1
235.08720	1.0
237.10355	1.4
238.07359	0.8
239.08331	0.6
239.11942	1.5
249.10258	1.4
250.07397	0.6
251.08255	4.1
251.11746	2.4
252.08914	2.0
253.09860	4.7
256.11868	1.0
263.08167	1.6
264.08890	1.6
265.09753	2.4
266.10632	0.8
267.11353	4.0
268.11768	0.6
277.09790	2.4
278.06821	0.8
278.10043	0.6
279.07770	3.7
279.10953	4.0
280.08087	0.6
280.11310	0.5
289.09906	0.7
291.07748	0.8
292.08557	3.1
293.09299	6.0
294.10095	2.6
295.10858	10.3
296.11154	0.8
296.59402	0.6
305.09363	2.2
307.10880	7.6
321.08829	4.8
321.12140	0.7
333.08694	1.6
339.09760	4.2
351.09741	2.2
372.12817	0.6
372.17102	0.9
398.14984	0.7
400.16754	0.6
414.18146	1.4
440.16052	3.0
442.17496	0.7
458.17191	1.1
468.15628	2.3
486.16306	1.4
602.21283	0.7
620.22430	2.2
622.24121	1.8
638.23230	3.5
639.23944	0.6
648.22174	1.8
666.23022	100.0
667.23248	14.8
697.36981	0.6
698.25409	27.2
699.25464	4.6
699.36438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.5
60.01690	0.3
61.98831	100.0
71.01392	0.8
71.53542	0.3
72.99299	0.3
73.02969	0.4
75.00821	0.2
85.02937	1.3
86.45859	0.2
88.98807	0.3
96.96017	0.5
99.00844	0.3
99.04507	1.8
101.04965	0.2
119.05020	0.3
121.02960	8.9
122.03295	0.3
134.03838	0.2
147.04558	1.3
163.04065	0.3
183.62807	0.2
226.72499	0.2
513.21918	0.2
575.23322	1.0
593.23969	0.5
594.25293	0.3
617.24011	0.7
635.24969	12.0
636.25433	1.8
638.28192	0.3
698.35669	0.5
699.30133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06343	0.1
59.01380	3.9
60.01705	0.2
61.98831	100.0
62.98557	0.2
65.56670	0.2
70.62405	0.2
71.01397	0.5
71.53357	0.2
85.02950	1.3
88.98812	0.4
96.96015	0.5
98.10640	0.2
99.04524	3.2
100.69403	0.2
103.05557	0.2
111.55723	0.2
117.90553	0.2
119.05065	0.2
121.02969	2.4
122.03323	0.3
147.04527	14.5
148.04868	4.5
161.06113	0.5
162.06505	0.3
480.67508	0.2
489.21194	0.9
490.21585	1.4
529.24536	0.3
552.79156	0.2
576.23425	0.2
598.27417	0.3
616.27869	0.3
620.26544	0.2
635.25537	0.6
637.30298	0.6
654.29218	0.2
655.31482	0.4
680.31952	0.6
698.32306	0.6
699.30780	0.5
699.42950	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82555	0.6
57.03440	2.5
58.00617	0.7
59.01379	72.4
60.14870	0.6
61.59295	0.6
61.98829	91.1
66.17313	0.6
66.43766	0.5
66.60493	0.5
67.90011	0.5
68.54852	0.5
69.03457	0.9
70.33237	0.6
71.01385	9.8
71.54105	0.9
72.99304	3.7
73.02949	2.8
75.00893	1.3
83.01407	1.6
83.05009	2.9
84.02184	2.5
85.02955	6.2
87.00880	1.8
87.04496	3.4
88.98801	2.1
89.02440	5.7
94.57815	0.5
95.01382	1.4
95.05021	0.9
96.96024	1.6
97.06617	0.9
99.00892	0.6
99.04524	3.2
101.02431	6.2
102.17351	0.6
111.04552	0.8
113.02454	4.5
119.03506	2.0
119.10911	0.6
121.02943	4.1
138.19145	0.6
147.04533	0.9
151.11244	3.2
166.61501	0.6
171.13728	0.6
179.05597	0.8
194.48236	0.7
227.47980	0.6
279.15988	3.8
334.00436	0.6
337.25290	1.5
355.26123	1.3
357.13437	1.2
357.28131	0.9
367.26575	1.0
372.15820	4.1
383.26068	1.7
385.27414	3.2
387.18024	11.5
411.25583	0.9
429.26443	2.6
431.27982	85.6
432.28448	8.9
433.25775	1.1
449.26495	0.7
473.27512	17.3
473.34070	1.2
474.27606	2.1
475.26987	21.2
476.27170	2.0
489.28668	2.9
493.28003	1.4
499.27084	0.9
517.28058	22.4
518.28223	3.0
535.29089	100.0
536.29486	12.6
547.28595	0.8
559.28717	1.7
577.30200	10.1
578.30463	0.9
637.24237	0.6
637.32269	16.7
638.32776	2.4
653.33740	11.9
654.33759	1.3
697.34424	58.8
698.34393	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	697.344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40702	0.7
59.01378	67.7
60.01706	0.7
61.98829	40.4
62.43205	0.8
65.04089	0.8
71.01379	7.3
71.54712	0.8
72.99295	1.9
73.02933	2.6
75.00851	0.9
77.85345	0.8
77.98329	0.8
83.01415	0.7
83.05013	1.8
84.02173	1.8
85.02936	3.5
87.00877	1.0
87.04519	2.6
88.98790	2.2
89.02428	3.6
96.95999	1.8
97.06535	0.9
99.04514	3.4
101.02430	3.0
109.06531	0.8
113.02453	2.2
117.26298	0.8
119.03464	1.6
121.02925	1.4
123.08141	0.7
141.05576	0.8
151.11232	3.0
225.88699	0.9
233.15457	1.8
242.31981	0.7
279.15970	2.8
355.26654	0.9
372.15640	2.4
383.25797	2.2
385.27383	2.5
387.18115	5.0
411.25470	1.0
429.26151	1.6
431.27957	87.4
432.28262	9.2
457.26004	1.0
473.27560	6.9
474.27710	1.4
475.26971	16.2
476.27222	1.9
489.28510	1.2
493.27917	2.1
517.28058	12.2
518.28345	2.2
535.29071	100.0
536.29291	12.7
577.29993	6.4
578.30109	1.2
637.32349	9.2
638.32495	1.5
653.34064	3.1
697.34375	52.5
698.33405	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	697.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	1.8
59.01381	74.9
61.98830	21.5
65.03969	1.2
70.63293	3.1
71.01407	3.1
72.99323	1.2
73.02950	2.0
73.20642	1.0
79.05523	2.8
83.05032	2.3
85.02952	58.7
88.81729	0.9
90.98926	1.0
93.03459	1.7
95.05054	1.9
99.04522	100.0
100.04867	2.9
101.06090	18.2
103.05497	1.6
105.07105	1.2
107.05034	2.7
109.06596	1.7
111.04510	1.9
119.04986	1.6
121.02955	63.6
121.06657	1.8
121.09948	1.1
122.03831	2.3
123.04522	1.6
126.90398	1.0
128.03482	1.5
129.01939	5.0
129.05530	1.1
129.07091	1.2
131.05009	1.9
131.08693	2.1
133.02809	1.1
133.06628	3.5
133.10286	2.1
135.08194	1.8
137.06041	1.3
137.09746	1.5
143.08713	1.1
147.04524	35.9
147.08194	1.9
148.04854	1.7
149.06067	1.7
157.06644	2.5
159.08151	3.3
161.09691	2.5
163.07706	1.7
163.11374	2.4
171.08107	1.6
171.10214	2.5
173.06100	1.6
173.09767	2.6
183.08090	1.3
184.05295	4.8
185.09650	1.4
189.09132	1.3
199.07643	1.5
208.09355	1.2
209.09763	2.5
225.09093	1.4
229.12241	1.2
229.74864	1.2
263.14352	1.3
383.34955	1.2
401.23782	1.4
411.21747	2.4
429.22662	2.6
457.22531	1.4
475.24548	2.0
483.27686	1.4
493.25906	2.6
503.24454	10.4
507.24094	1.2
509.25323	2.4
511.27234	9.6
512.27478	2.6
527.26776	5.0
528.26569	1.6
529.28467	5.0
535.26318	3.5
539.26349	2.3
551.26471	1.9
553.28027	4.2
561.24872	2.5
567.25720	1.7
569.27759	14.7
570.27631	4.0
571.28656	4.0
583.23975	1.3
597.26953	3.2
615.25769	1.2
621.28015	4.9
622.27686	1.5
635.32269	21.4
636.32599	2.9
647.28326	2.3
653.34027	13.2
654.33643	2.0
665.29657	78.0
666.29907	15.9
697.28400	26.1
698.26117	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	697.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48217	0.6
57.92530	0.6
58.00594	2.4
59.01382	19.0
61.98830	20.5
64.00083	0.7
66.01258	0.6
71.01382	1.2
73.02943	2.0
74.56536	0.7
79.05544	1.1
83.05032	1.1
85.02947	2.8
93.03439	0.9
95.05024	1.1
96.96033	1.1
97.02975	0.7
97.06588	0.7
99.04520	100.0
100.04846	2.1
107.05040	1.2
111.04506	1.1
113.43370	0.7
121.02964	11.8
121.06635	1.0
129.01949	5.3
133.06606	1.8
135.08067	0.9
147.04529	13.8
147.08121	1.2
149.06030	0.9
159.08134	1.8
161.04558	2.5
163.11304	2.9
173.09714	2.0
184.05304	1.5
184.68790	0.6
185.09703	0.6
196.66948	0.7
197.06177	0.8
199.07655	0.7
199.38684	0.8
209.09663	1.3
214.94795	0.8
215.10745	1.1
263.14203	1.0
297.14877	1.1
345.18552	1.4
363.19843	0.8
373.20099	1.7
375.19836	1.1
393.20581	1.5
411.21786	3.0
429.22903	4.7
445.16898	0.8
445.22519	1.7
465.26080	0.8
467.27582	0.7
471.23880	1.3
475.24802	1.9
483.27902	1.5
493.25906	5.8
503.24338	4.8
511.26956	11.5
512.27448	1.7
529.28156	6.6
530.27979	0.8
535.26892	4.8
536.27313	1.0
553.28119	4.4
559.22968	1.0
571.28918	1.3
593.31055	2.0
597.18616	0.8
597.26764	3.6
598.27277	0.8
607.33142	0.9
617.23206	1.6
617.31561	2.3
635.32257	19.4
636.32971	2.9
653.33270	2.7
654.33405	1.2
661.28339	0.8
665.30035	24.1
666.29871	4.2
697.32239	18.9
697.43347	1.3
698.32654	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	697.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	0.4
59.01384	15.6
59.26593	0.4
59.98489	0.5
61.98831	15.1
71.00542	0.6
71.01376	1.3
72.01362	0.5
72.99319	0.7
80.64468	0.5
81.03452	0.8
81.46256	0.5
83.05027	1.3
85.02962	2.3
93.03468	0.6
97.06549	0.8
99.04520	100.0
100.04861	1.6
107.51779	0.5
111.04527	1.4
113.04316	0.5
121.02976	6.2
121.06558	0.6
125.06094	1.2
129.02000	0.6
133.06610	2.0
135.08272	0.5
145.10141	0.6
147.04510	2.1
149.06010	0.9
159.08148	0.5
161.09724	1.1
163.11284	2.7
168.68008	0.6
173.09724	2.4
183.08139	0.6
187.07600	0.5
200.08351	0.7
215.10880	1.2
266.27417	0.5
279.14005	1.3
313.16376	0.6
321.17166	0.7
345.18658	1.5
349.17697	0.6
363.19647	1.2
367.19247	0.6
375.19806	0.6
393.20636	1.0
411.21817	2.5
429.22745	3.6
430.23099	0.8
434.38953	0.6
441.20709	0.6
447.23819	0.9
467.28146	1.8
471.23907	1.1
475.24692	1.8
483.27582	1.1
489.21146	0.8
493.26114	4.6
494.26279	0.7
511.26932	12.2
511.34473	0.7
512.27637	1.7
529.28162	7.2
530.28418	1.0
535.26971	5.3
536.27301	1.5
553.28064	5.2
554.28137	1.0
567.26215	0.9
571.29517	1.4
575.30688	0.8
591.33124	1.7
593.31268	1.2
597.27216	3.6
617.23914	1.8
617.32190	1.4
619.30225	0.9
625.35529	0.7
635.32239	22.9
636.32605	3.9
637.31415	0.6
653.33441	2.7
655.88055	0.6
661.26569	0.8
665.29742	1.9
697.32416	14.3
698.33154	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	697.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.8
61.98831	77.7
62.98539	0.4
63.99272	0.5
71.01392	1.0
85.02950	1.0
96.96017	0.9
99.00878	0.6
99.04523	4.9
103.05526	2.1
110.01896	0.4
111.04446	0.5
119.05032	1.3
121.02973	6.5
145.02928	0.5
147.04532	100.0
148.04834	3.4
161.06099	1.3
193.47865	0.4
332.32431	0.4
405.79138	0.4
412.90744	0.4
489.21274	15.7
490.21594	1.7
503.93295	0.5
510.71500	0.4
538.94006	0.4
555.25861	0.6
569.27417	0.5
577.25012	0.5
579.26276	0.6
593.27106	0.4
597.27197	0.8
611.27710	0.7
615.27942	0.7
616.26776	0.5
619.25623	0.5
634.26410	0.4
637.25995	1.6
638.26654	0.7
653.29144	0.9
679.31000	2.3
697.28638	0.8
698.31500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01166	0.2
54.83298	0.2
59.01381	16.1
59.19019	0.3
61.98830	19.5
65.88010	0.2
71.01376	0.4
76.33939	0.3
76.54967	0.2
79.05540	0.4
82.77888	0.3
82.95425	0.7
85.02956	0.6
88.98823	0.9
93.03473	0.8
94.36420	0.2
96.96016	1.0
99.04498	2.0
101.06075	2.6
103.05547	0.4
119.05012	0.6
121.02956	100.0
122.03284	3.3
122.40697	0.2
131.05032	0.9
133.06647	0.6
135.08170	0.5
141.58748	0.2
147.04500	0.5
159.08119	0.6
161.09698	0.5
169.01265	0.2
171.10281	0.9
173.00459	0.3
173.09703	0.6
183.08044	0.3
187.11292	1.0
211.34132	0.2
213.09100	0.3
246.70154	0.3
256.65442	0.3
276.14539	0.2
289.17801	0.2
311.22903	0.2
401.23605	0.3
529.27814	0.5
531.24237	0.4
551.26593	0.3
553.27460	0.4
571.29108	3.3
572.29468	0.3
609.28735	0.9
635.32233	0.6
653.26971	8.0
654.27264	1.5
665.28381	0.3
697.26471	44.2
698.26825	9.4
726.87958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32469	0.3
59.01376	8.7
59.81358	0.2
61.98822	2.0
63.65466	0.3
71.01378	0.3
71.53809	0.5
72.08972	0.3
83.04993	0.3
85.02956	1.2
91.34001	0.3
99.00852	0.9
99.04494	0.4
103.05527	2.7
119.05044	1.5
121.02953	1.6
132.20351	0.3
147.04512	100.0
148.04860	4.6
161.06056	0.5
169.21397	0.4
256.13205	0.3
349.16537	1.1
359.50241	0.3
445.18750	0.5
489.21274	36.9
490.21594	5.1
575.23224	0.4
600.67853	0.3
728.42206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13167	0.7
53.47298	0.6
55.01879	1.5
57.03451	1.3
58.00593	2.8
59.01080	0.9
59.01380	26.0
69.66383	4.4
71.01379	30.2
72.99311	1.6
73.02939	6.1
74.42679	0.7
75.13122	0.7
83.01389	1.7
85.02950	13.4
87.00875	5.0
89.02447	20.9
95.01392	2.4
95.23587	0.7
97.06584	7.6
99.00883	1.5
101.02435	19.4
111.04517	5.0
113.02453	14.4
119.03515	9.3
121.02963	2.9
122.03777	1.6
125.02418	0.9
131.03523	1.0
134.03729	1.7
137.06050	1.0
141.05583	2.9
143.03523	2.1
145.02971	2.3
146.03673	0.9
147.04568	0.9
149.02431	27.9
150.03224	56.7
151.03673	1.1
159.03020	1.9
161.02393	2.4
161.04552	26.5
161.05907	1.3
162.03249	3.1
162.04720	0.6
163.04083	1.2
164.04785	15.8
165.05565	100.0
166.04503	0.6
166.05870	4.0
177.05566	0.8
179.05609	9.4
180.04245	4.2
191.01970	1.3
195.06615	28.5
196.07027	1.3
209.02985	0.9
233.06613	0.8
279.10913	0.8
303.10849	52.8
304.11154	2.6
321.11899	28.7
322.12259	1.2
327.10809	36.6
328.11261	2.6
357.11993	2.1
375.12598	1.1
421.34238	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2652
Annotation	Fokienagarofuran A
Peak:m/z	Relative Intensity
59.01376	11.0
61.98829	9.7
61.99332	0.3
67.04517	0.3
85.02954	0.4
87.60724	0.3
88.98822	0.4
93.03474	0.7
96.96015	0.8
98.20284	1.5
99.04515	2.3
101.06086	2.7
103.05497	0.4
108.02186	0.5
109.54509	0.3
111.04481	0.4
112.98610	0.3
119.05031	1.0
120.12652	0.2
121.02953	100.0
122.03286	3.8
131.05034	1.1
133.06575	0.9
135.08165	0.3
146.06102	0.3
147.04527	0.7
159.08212	0.6
161.09666	0.8
171.10234	0.7
173.09688	0.8
187.11287	1.2
259.57697	0.3
485.28833	0.6
529.27966	0.5
531.24207	0.4
551.26276	0.3
569.27844	0.5
571.28992	2.4
599.28046	0.3
609.28522	1.1
635.32227	0.4
653.27014	8.5
654.27545	1.3
665.28857	0.5
697.26483	45.7
698.26776	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	697.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37761	1.0
53.01309	1.4
53.29679	1.3
57.39762	1.3
59.01369	6.0
61.98829	35.8
63.99232	2.2
65.46598	1.3
66.51704	1.3
71.01356	1.4
74.66061	1.5
78.95892	1.3
84.50918	1.2
88.98779	1.8
92.35508	1.1
99.04567	1.2
106.06592	3.1
110.96189	1.2
111.98274	1.3
120.04568	3.0
121.02975	2.7
122.06078	1.9
133.15726	1.2
134.03719	1.3
134.06146	1.6
153.11250	1.2
160.45848	1.2
171.10272	12.3
190.78206	1.3
239.08205	1.6
242.24760	1.1
251.08060	1.3
253.09435	2.1
281.09161	1.6
284.91293	1.3
289.18015	2.6
301.53146	1.2
307.19260	2.8
342.12347	1.5
358.11899	2.0
446.17365	1.8
456.32321	1.5
463.18039	1.8
469.05695	1.2
491.17001	2.7
519.16693	7.0
520.17096	1.8
579.18408	2.9
591.18622	2.4
605.20563	3.1
606.21112	2.3
607.21686	8.0
637.21899	1.6
665.22510	30.3
666.23370	20.4
667.24103	5.7
697.25079	100.0
698.25385	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	696.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58883	0.1
58.00603	0.2
59.01385	3.5
60.25681	0.2
61.98830	100.0
62.98531	0.2
63.99263	0.2
68.79134	0.1
69.16201	1.7
69.86580	0.1
71.01409	0.2
73.02945	0.2
76.50973	0.2
82.03917	0.2
85.02959	0.6
88.98837	0.3
96.96024	0.2
99.00894	0.2
99.04508	1.7
100.04831	0.3
101.06084	0.3
107.43683	0.1
116.92892	0.2
117.92969	0.2
121.02956	3.6
123.08171	0.2
129.01894	0.2
133.06587	0.3
147.04524	3.4
147.05650	0.2
148.04878	0.4
175.04013	0.3
211.13382	0.2
272.36490	0.2
294.79434	0.2
510.26105	0.2
528.27631	0.2
557.25476	0.2
561.24713	0.3
569.27539	0.4
570.28119	1.1
619.31012	0.3
633.27063	2.8
634.27234	0.4
636.26563	0.3
696.29822	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.1
60.60391	1.1
61.98540	1.5
61.98829	22.0
68.99561	1.4
71.44744	2.2
71.45076	1.2
72.02171	1.1
72.99304	2.8
75.56017	1.1
80.17900	1.0
85.02934	4.0
88.98826	1.6
89.02454	2.0
94.42154	1.0
106.06602	3.5
106.26901	1.3
120.04530	3.5
122.28083	1.2
128.90134	1.9
140.49823	1.3
154.30811	1.3
171.10223	4.7
224.08904	1.3
251.08209	2.3
253.09540	1.8
267.81442	1.2
277.21564	1.4
279.07544	1.3
307.19040	1.7
342.12238	1.7
344.13901	1.3
358.11829	1.3
383.48465	1.2
397.13495	2.0
424.67438	1.2
446.17606	1.8
490.16342	1.7
491.17200	3.0
515.17468	1.7
518.15857	1.3
519.16858	5.6
558.11639	1.4
577.20648	1.7
579.18805	2.1
590.77985	1.3
591.19562	1.8
605.20404	4.5
606.21100	2.0
607.21991	8.3
633.20215	1.4
665.22559	37.0
666.23126	16.8
667.23859	5.5
697.25085	100.0
698.25262	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	696.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.2
59.01378	4.7
59.06011	0.1
61.98831	100.0
67.13123	0.1
70.53476	0.4
71.01387	1.4
72.99306	0.2
73.02947	0.3
85.02962	0.8
88.98812	0.3
89.02438	0.8
98.19973	0.1
99.00899	0.3
99.04523	0.9
101.02454	0.6
113.02447	0.8
121.02102	0.1
121.02952	3.1
122.03307	0.6
147.04538	1.0
161.04637	0.2
185.21925	0.1
198.01266	0.2
214.09908	0.1
403.80585	0.1
473.34958	0.2
491.36011	0.3
492.36133	0.2
593.23987	0.3
633.26752	1.0
634.27545	0.2
635.39636	0.7
636.40393	1.4
637.26727	0.3
653.41083	0.7
654.41327	1.0
664.32324	0.3
696.31519	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15970	0.3
59.01380	100.0
60.01722	1.0
61.98833	12.7
68.99572	13.8
70.74328	0.7
70.74708	0.7
75.82439	0.3
83.01410	0.3
93.92405	0.3
99.04520	6.1
99.05103	0.5
101.27076	0.3
105.63605	0.3
111.08138	0.3
112.98569	14.0
121.02953	0.8
147.04532	0.4
194.82011	0.3
199.11348	0.5
212.08429	0.4
227.10796	1.9
287.12851	0.7
297.14999	0.5
400.80444	0.3
415.30667	0.4
493.26221	0.5
521.25452	3.4
522.25812	0.9
539.26697	1.2
539.89404	0.3
553.28082	2.8
581.27612	3.9
582.28235	0.9
613.30212	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	695.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11658	17.0
59.01363	51.3
59.37501	19.3
61.98830	100.0
65.03825	18.8
71.53107	37.1
75.79805	18.8
77.50544	21.1
78.95908	36.4
80.96517	56.4
103.05090	24.0
136.40947	18.1
152.99556	33.8
255.23282	44.9
277.21686	40.7
543.70728	22.3
586.49591	20.6
630.70313	23.9
633.95453	20.7
695.11487	26.7
695.38007	48.2
728.44464	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.2
61.85272	0.1
61.98832	100.0
71.01379	0.7
72.99306	0.4
73.02950	0.3
75.00870	0.1
75.30691	0.1
79.71049	0.1
85.02953	0.4
87.00887	0.2
88.98815	0.2
89.02451	0.4
96.96033	0.4
99.00848	0.1
99.04528	0.1
101.02461	0.4
105.18346	0.1
113.02447	0.4
121.02955	0.2
147.97179	0.1
161.04507	0.1
212.49614	0.1
229.14917	0.1
507.28381	0.2
576.25806	0.2
591.31897	0.2
592.32214	1.3
613.97113	0.1
633.29913	0.1
653.33594	0.3
696.32965	0.4
697.33807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.3
61.98832	100.0
64.84538	0.2
71.01385	0.3
74.54606	0.2
85.02977	0.2
99.04552	0.7
101.02479	0.2
103.05573	0.3
121.02944	1.4
131.05040	0.2
133.06644	0.8
147.04527	8.2
148.04889	0.2
161.06096	0.7
187.11308	0.3
196.52008	0.2
229.25392	0.2
342.94116	0.2
350.23550	0.2
427.21533	0.7
445.22601	0.2
513.26379	0.4
557.25665	1.2
589.30035	1.0
600.02148	0.2
633.27045	11.1
634.27118	2.0
636.41028	0.2
661.26923	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.4
59.01378	34.9
61.79602	0.7
61.98831	29.0
69.19711	8.3
71.01378	13.9
72.99310	9.3
73.02935	2.6
75.00877	5.8
83.01383	1.7
84.02160	5.3
85.02950	15.2
87.00877	53.6
88.01205	0.9
88.98800	1.3
89.02445	4.9
95.01399	5.4
95.05009	0.9
96.96011	1.7
99.00882	1.5
99.04509	3.4
101.02431	4.4
101.06079	4.7
110.00084	1.2
112.01640	2.0
113.02445	22.3
119.03469	0.9
120.99643	1.1
125.02406	1.3
131.03419	0.9
134.03719	1.0
143.03470	2.7
148.98903	0.9
161.04572	7.5
180.00397	0.8
209.11768	1.3
277.14490	6.9
278.15137	11.4
415.34363	0.9
429.26440	11.5
430.26529	1.3
455.24170	2.2
469.25751	1.4
473.25427	49.0
474.25690	6.8
487.26959	29.0
488.27350	5.2
497.25107	1.4
515.26501	100.0
516.26819	14.1
527.26337	3.2
533.27307	3.2
545.27649	8.3
546.27875	1.2
549.29126	1.4
575.28577	19.0
576.28839	2.6
585.26929	2.2
603.24591	1.0
635.30872	3.4
651.36084	7.8
652.35016	1.5
695.33685	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	695.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27907	1.2
51.79625	1.2
55.69934	1.0
59.01379	29.0
61.98829	28.3
69.95444	1.0
71.01373	2.0
71.52357	1.1
71.52771	2.1
76.05179	1.1
78.95897	1.1
85.02936	7.1
85.32493	0.9
85.33211	1.0
88.98798	1.8
99.04517	96.3
100.04871	2.3
102.75354	1.1
111.96590	0.9
113.02457	1.1
121.02947	4.8
122.74139	1.1
133.06604	3.6
135.08150	1.4
147.04530	1.6
159.08131	3.2
161.09647	1.6
171.10315	1.4
173.09689	3.5
187.11269	2.2
189.12926	1.4
198.06808	1.6
213.09212	2.2
227.10750	2.0
295.15616	1.4
316.54871	1.2
335.20035	1.9
383.22366	1.4
401.23260	4.9
427.21017	1.8
483.27484	4.4
509.25372	8.4
510.25534	1.2
527.26495	22.2
528.26599	3.4
533.25568	1.4
551.26489	13.0
555.40912	1.1
569.27527	100.0
570.27917	19.0
607.33179	1.2
613.26526	3.7
633.30756	20.8
634.31348	5.9
651.31696	32.1
652.32172	8.8
695.30615	11.8
696.31073	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	695.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
58.00610	0.8
59.01380	15.7
61.98832	8.0
71.01389	5.9
72.99307	7.6
73.02946	1.5
73.03362	0.7
75.00881	1.5
79.65057	0.5
83.01369	0.8
83.05041	0.9
84.02147	2.4
85.02944	7.7
87.00876	58.6
87.04514	0.9
88.01256	0.8
88.98797	0.6
89.02451	1.3
95.01382	2.0
99.04520	2.0
99.96977	0.6
100.45204	0.5
101.02435	1.3
101.06052	2.9
103.50138	0.5
113.01723	1.0
113.02450	12.6
129.89729	0.6
131.00235	0.5
151.07495	0.6
161.04549	2.9
171.10225	0.6
277.14481	7.2
278.15179	8.9
279.15649	1.3
345.20639	0.5
372.09677	0.7
381.24152	0.9
411.25305	1.4
429.26389	22.2
430.26959	2.9
447.26385	0.8
455.24393	1.6
473.25424	100.0
474.25793	15.6
487.26984	17.1
488.27356	2.1
497.25226	0.7
503.81232	0.6
515.26477	54.2
516.26819	10.1
527.26624	1.1
533.27563	6.3
534.27789	1.4
539.64276	0.7
545.27356	4.5
549.29663	0.7
571.38788	0.6
575.28528	9.1
576.28467	1.1
632.27667	1.4
635.30646	10.3
636.31006	1.7
651.33514	8.2
652.34125	1.7
668.58661	0.7
695.32208	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	695.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.3
61.98832	16.1
62.10167	0.7
69.03455	6.7
71.01379	1.4
73.02925	0.6
79.05517	1.1
83.05049	1.9
85.02966	2.6
91.05464	0.8
95.05049	0.7
99.04523	90.8
100.04840	0.9
105.07080	0.9
107.05036	2.7
111.04527	1.2
115.43397	0.5
121.02953	7.7
121.06583	0.6
131.08698	0.7
133.06622	3.9
135.08235	1.0
147.04488	1.7
147.08118	0.9
148.05241	1.0
159.08150	2.4
161.09766	1.1
171.08118	1.1
171.10265	0.7
173.09691	2.1
175.11247	0.9
185.09706	0.8
187.11284	2.5
189.09189	0.6
189.12863	1.4
198.06908	0.6
199.07643	1.7
201.12868	0.6
213.09195	1.5
215.10670	0.8
227.10883	1.3
255.13914	0.6
269.15414	1.8
270.15790	0.6
277.11572	0.6
295.15704	1.0
309.18500	0.6
335.20233	1.9
357.20782	1.0
373.24017	1.1
383.21951	0.7
401.23419	4.5
411.72586	0.6
427.21100	2.5
435.20248	1.1
445.22372	0.7
451.20871	0.6
483.27682	4.8
497.25690	0.7
499.27267	1.3
509.25409	10.0
510.25616	1.4
511.23279	1.4
521.25873	0.6
525.28107	0.7
527.26453	21.1
528.26965	2.5
529.24384	4.6
533.25427	1.4
551.26544	11.6
552.26666	0.8
569.27563	100.0
570.27826	17.0
573.23206	4.9
574.23511	0.6
581.27570	1.3
605.31018	1.0
607.32605	1.0
613.26349	3.1
619.29303	1.0
633.30731	21.0
634.30975	4.4
651.31689	32.0
652.32178	5.3
663.28455	1.3
695.30615	11.7
696.31348	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67909	0.8
57.96416	0.9
59.01377	36.6
60.99285	1.0
61.75449	0.9
61.98827	35.7
68.99567	5.4
71.01380	1.8
73.40627	0.8
83.05009	1.7
85.25486	0.9
88.98816	1.9
98.20293	6.6
99.04517	89.4
100.04861	0.9
110.07060	1.1
112.98548	4.8
121.02951	12.5
123.04504	2.6
125.06132	1.3
133.06586	2.6
135.08095	1.0
145.02892	1.6
147.04474	2.5
147.08212	0.9
161.09763	2.0
173.09633	1.0
185.09676	1.1
187.11253	2.3
189.12654	0.9
199.07678	1.2
212.08336	1.5
213.09181	1.9
214.09901	1.3
243.13933	1.0
269.15393	1.3
295.15466	3.1
309.51785	1.1
339.19882	0.9
358.31372	1.0
401.23221	3.6
420.79742	1.1
427.21103	3.2
445.21997	1.1
473.25491	2.9
483.27563	5.8
509.25479	11.0
510.25522	1.3
515.26318	2.2
525.28888	1.2
527.26398	14.7
528.26758	2.6
551.26184	8.9
552.26971	1.5
569.27502	100.0
570.27948	17.7
571.25269	4.6
572.25629	1.1
603.26086	11.7
604.26385	3.2
607.32507	1.2
613.27167	1.9
633.30811	6.3
634.31201	1.6
635.29175	1.0
651.31512	13.3
652.32007	3.5
677.29993	4.6
695.30322	5.5
696.30786	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	695.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03440	0.8
59.01379	20.8
60.01707	0.5
61.98831	19.1
69.03451	0.5
71.01377	1.3
78.04126	0.4
79.05518	1.0
83.05042	0.7
93.03455	0.5
95.04990	0.8
96.95958	0.5
97.06568	0.9
98.19927	1.1
99.00885	1.2
99.04520	96.0
100.04853	2.3
101.06083	0.8
107.05010	0.4
111.04505	0.5
116.92860	0.6
121.02961	1.3
121.06569	0.4
125.06097	0.5
133.06551	1.0
147.04510	1.2
147.08167	1.8
149.09720	0.5
159.08128	0.8
161.09715	1.9
169.10170	0.6
171.08130	0.6
173.09648	1.1
185.09705	1.2
187.11250	1.9
189.12837	0.7
195.11969	0.5
199.07590	1.0
211.07687	0.6
212.08443	1.2
213.09167	2.2
214.09978	2.1
215.10905	0.8
227.10822	0.7
243.13882	0.6
251.14218	0.6
269.15448	2.1
295.15448	1.8
308.71219	0.5
309.18582	1.0
317.18979	0.5
321.18185	0.5
335.20306	1.0
365.17596	0.7
373.20093	0.6
383.21838	0.8
401.23206	4.0
402.23746	0.7
409.20093	0.9
427.21173	3.1
455.24445	0.9
473.25409	4.1
481.25772	0.9
483.27475	6.3
484.28317	0.6
507.45499	0.5
509.25391	11.2
510.25583	1.7
515.26489	3.6
525.28827	0.8
527.26483	18.3
528.26624	2.9
533.25037	0.6
543.29700	1.1
549.24786	0.6
551.26379	9.3
552.26703	1.6
565.31714	0.7
569.27521	100.0
570.27838	20.4
595.25513	0.6
607.32867	1.7
613.26532	1.0
633.30536	4.6
634.30865	0.9
651.31763	15.1
652.32147	3.4
659.31134	0.8
677.29431	4.1
678.29626	0.9
688.72961	0.7
695.30560	3.2
696.32379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.54856	0.6
60.01705	1.5
61.98828	35.3
69.25072	5.1
71.01379	2.0
76.00420	0.6
76.59041	0.6
79.05546	2.9
83.01384	0.7
85.02979	2.1
88.93030	0.6
88.98811	0.6
90.66592	0.6
95.05054	0.7
98.20699	1.4
99.00931	0.9
99.04515	3.9
101.20702	0.7
103.05561	1.8
106.82668	0.7
107.05069	0.8
109.18690	0.7
119.05034	1.4
121.02974	2.4
133.06612	1.4
145.06725	0.8
147.04521	51.4
148.04869	2.0
157.06607	0.8
161.06116	2.3
163.07663	1.4
171.04619	0.9
171.08159	1.1
184.05402	0.7
189.09265	1.3
201.09071	0.9
213.09265	0.8
215.10699	0.9
241.08806	1.0
245.11830	1.6
273.11520	0.8
274.12186	1.0
341.14078	2.7
353.17651	0.6
437.19672	3.4
438.20032	0.8
455.20660	12.2
456.21216	2.6
501.22620	1.6
502.58200	0.7
516.26575	1.0
528.27197	1.1
557.25439	0.7
567.24310	1.2
570.28479	2.1
571.27985	0.8
580.02094	0.8
585.24921	21.0
585.33740	1.1
586.25275	3.8
589.28900	1.0
614.26672	1.2
617.27545	47.4
618.27887	9.3
632.27582	3.6
635.29114	2.8
657.29956	1.4
695.29065	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.99311	5.6
61.98826	16.2
69.03457	1.7
70.26640	2.4
70.26993	1.5
76.70480	1.1
87.00883	1.2
88.98804	30.5
88.99359	1.5
89.02442	6.5
96.96024	1.0
98.19954	1.3
99.04528	1.2
112.42522	1.0
121.02955	90.3
122.03317	2.1
199.11310	1.2
238.24982	0.9
243.10182	2.7
439.21323	2.0
561.24884	91.3
562.25220	18.2
619.29694	1.4
627.55573	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22445	0.6
59.01379	100.0
60.01707	1.5
61.98829	42.7
64.28684	0.5
66.16272	0.5
66.72678	0.5
71.01386	1.4
79.05531	3.0
83.01400	0.8
85.02971	2.5
88.98816	0.8
97.06588	0.6
98.19866	1.2
99.00901	0.9
99.04546	0.7
103.05553	1.2
107.05058	0.8
109.47768	0.6
112.81892	0.6
118.47062	0.6
119.05048	1.3
121.02966	2.9
131.08665	0.6
133.06569	1.5
145.06624	0.7
146.68134	0.7
147.04520	51.2
148.04893	1.7
157.06584	0.9
159.04507	0.7
161.06110	2.2
163.07681	1.3
171.04533	0.6
189.09271	2.3
213.09174	0.6
241.08688	1.1
245.11906	1.7
274.12244	0.8
275.90237	0.6
341.13937	3.7
368.38412	0.7
371.18536	0.9
437.19669	4.3
438.19852	0.9
453.80545	0.8
455.20697	14.4
456.21078	1.4
469.22385	1.0
501.23151	2.0
502.22855	0.8
533.25342	0.9
545.59778	0.6
557.25665	1.0
585.24841	23.3
586.25238	3.6
603.26910	0.7
617.27533	43.0
618.27850	8.6
635.28510	3.4
677.25641	0.8
696.32965	0.9
712.90540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55302	0.6
57.03450	5.9
58.00563	0.6
59.01116	0.8
59.01379	13.7
61.98839	3.9
67.94453	0.6
71.01381	12.2
71.54856	0.9
72.99302	1.0
73.02930	2.9
75.00878	0.6
83.01363	1.3
85.02951	11.7
87.00854	1.0
87.04511	6.2
89.02425	2.8
91.99848	0.6
96.96007	3.2
97.02951	1.0
97.06581	0.6
99.00848	1.0
99.04480	1.8
101.02438	5.4
103.04015	32.8
113.02434	2.9
114.60594	0.6
116.92855	0.8
118.98099	0.7
119.03508	1.1
119.05045	0.7
123.08150	0.6
125.02471	1.3
125.06024	0.6
129.01938	0.6
135.04536	0.8
135.08163	1.6
137.09715	11.6
139.11264	1.0
143.03445	1.1
151.11322	0.8
155.10779	46.7
156.11110	1.5
157.05066	1.0
163.07669	1.0
169.12360	4.3
171.10236	0.9
179.10803	1.6
181.08708	5.1
195.10245	1.5
199.09753	38.7
200.10059	1.4
209.11757	1.0
213.11269	3.4
223.09753	0.9
241.10799	16.3
242.11050	1.3
247.08102	1.1
265.09326	5.1
283.11743	2.0
301.12924	3.5
361.14941	1.8
429.17682	6.3
430.17905	1.0
447.18710	17.0
448.19159	1.4
489.19775	12.8
490.19977	1.3
519.20544	1.4
545.23541	0.9
549.21515	3.8
591.22461	0.8
609.23889	8.1
633.28125	0.7
636.81317	0.8
651.28424	5.8
652.28467	1.0
677.25641	0.8
695.27527	100.0
696.27875	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	695.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
59.01381	81.8
59.08811	1.4
61.98829	64.2
66.47415	1.3
67.01889	4.8
71.01374	3.2
71.53113	2.2
78.89966	1.5
80.91689	3.3
81.03442	1.8
83.05038	6.9
85.02959	10.1
87.00882	1.9
88.98807	2.3
89.02442	3.3
93.03452	2.9
97.02952	1.8
99.00897	2.5
99.04523	55.9
107.04989	2.0
109.02961	3.2
109.06620	1.6
111.04539	2.8
119.04967	2.5
121.02956	100.0
121.06560	1.8
122.03295	4.5
123.04552	1.7
127.03985	1.8
133.06581	7.2
135.04459	2.4
141.85413	1.6
144.05681	1.7
145.02995	1.5
147.04533	16.4
148.04944	1.4
149.06038	1.5
152.92139	1.8
155.03427	3.4
157.06560	2.6
159.08109	10.1
161.06052	2.2
171.04466	2.2
171.08173	13.9
171.10278	2.0
183.08099	1.6
185.05934	1.7
187.07640	4.0
187.11272	3.7
197.06061	5.9
197.09749	2.8
199.07608	6.5
200.08318	7.0
213.09229	3.7
215.07240	11.3
215.10722	35.8
225.09097	1.8
232.07533	2.5
255.13869	3.6
269.15408	3.2
319.13266	1.7
351.18115	2.7
365.17636	1.9
391.82822	1.6
401.23239	4.0
410.68835	1.5
413.09381	1.8
427.21121	3.5
435.19916	4.5
445.22260	2.6
455.20618	2.6
487.21396	1.7
509.25513	9.3
527.26440	10.9
528.27112	1.7
529.23877	3.1
547.23676	8.2
551.26544	6.1
557.21979	2.2
569.27557	48.7
570.27795	6.5
573.24310	1.5
591.22278	39.5
592.22522	6.9
596.66254	1.6
613.26398	3.7
617.23969	4.8
619.29004	9.9
633.30524	9.3
634.30658	2.3
635.24146	13.5
636.25653	2.0
648.85608	1.7
651.31824	15.9
652.31750	2.9
663.26440	4.9
695.29553	10.5
696.29724	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	695.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81194	1.6
59.01380	99.3
61.98832	95.2
69.03454	7.7
70.63044	2.4
70.63361	3.1
71.01378	5.5
72.99304	2.4
75.00850	2.0
83.05056	3.1
85.02943	6.4
87.00902	2.6
88.98801	4.0
89.02426	1.9
93.03465	3.1
97.02986	2.1
99.00880	3.8
99.04527	9.9
101.06078	2.8
103.32883	1.7
107.05084	2.6
109.02982	1.9
109.06546	1.9
111.00892	2.0
111.29499	2.1
119.05016	7.3
121.02959	100.0
123.04470	3.4
125.02400	2.3
133.06593	2.5
147.04523	28.9
148.04842	2.8
150.06889	5.1
151.62546	1.8
171.10277	2.9
173.06137	2.0
176.52560	1.7
187.98949	1.7
193.05067	1.8
194.05884	3.6
209.11772	3.3
236.08348	2.5
295.15378	3.0
489.21655	2.5
505.26321	2.0
531.23492	11.1
532.23456	2.3
549.24731	15.0
567.26086	2.7
573.25006	4.7
588.28912	4.2
591.26038	43.0
592.26227	6.8
609.26953	24.4
610.27386	2.9
617.24567	7.8
632.27820	17.2
633.27490	9.6
635.24969	42.0
636.25140	5.5
651.27979	20.6
652.28534	4.4
663.28931	2.8
677.25867	3.9
695.26324	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	695.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
57.98974	0.8
59.01379	33.2
61.98829	58.6
71.01392	2.6
72.99330	1.0
73.02942	1.1
85.02957	3.4
88.98805	3.7
98.20660	2.1
99.04523	8.6
119.05065	1.0
121.02956	100.0
122.03305	3.6
133.06583	1.4
135.04497	1.2
135.98328	0.9
147.04521	2.3
148.05339	1.2
149.09778	0.9
151.11313	1.2
159.08089	1.4
161.09773	0.9
163.61923	0.7
209.11798	0.9
223.11296	0.8
236.08365	1.3
247.77002	0.9
291.14044	1.3
293.93665	0.8
295.15536	1.3
312.05829	0.8
347.22360	2.5
373.19870	1.2
409.19711	1.0
411.25601	1.0
429.26361	3.0
455.24326	1.2
473.25098	7.4
505.25766	3.3
515.26440	1.3
531.23663	5.0
533.27472	4.4
549.24927	8.9
550.24701	2.0
567.25861	3.4
571.25488	1.0
573.24860	2.0
589.27667	1.2
591.26001	30.3
592.26282	6.2
609.26984	20.3
610.27332	3.3
633.26947	17.7
634.27502	3.1
635.30792	15.2
636.30927	2.2
651.27917	20.1
652.28516	2.9
677.31787	1.8
695.27625	8.8
695.32642	9.1
696.25964	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87329	0.8
53.17977	0.7
59.01381	43.6
60.01693	1.3
61.98833	66.5
69.22890	7.6
71.01355	2.2
72.99276	1.0
85.02906	2.4
88.98779	1.9
89.02397	1.0
93.03444	0.8
94.03546	0.8
97.02925	1.0
97.06520	1.0
99.04522	12.4
100.04855	0.9
101.02425	1.7
101.06058	1.5
107.04990	1.0
113.02419	1.2
115.00395	5.3
115.76169	0.7
119.04970	1.4
121.02959	100.0
121.06506	2.0
122.03217	2.9
133.06525	2.4
135.04434	1.2
135.08104	0.8
147.04510	6.3
159.08025	1.6
161.09619	1.2
171.08069	0.9
173.09535	3.1
187.11122	1.6
199.07523	1.0
209.11581	1.1
215.14133	0.9
237.08919	0.8
251.14294	1.0
295.15372	0.9
339.19418	0.9
347.22134	1.1
373.20035	1.6
429.26239	1.5
455.23941	2.4
473.25516	9.7
474.25522	1.5
505.26135	6.4
506.26157	1.1
511.22934	2.9
513.24341	1.5
521.25140	1.6
531.23969	10.9
532.23517	2.2
547.28235	1.1
549.24902	16.4
550.24872	3.7
555.25354	1.2
571.18304	0.8
571.25366	8.0
573.25360	5.1
574.25592	1.4
591.25983	39.7
592.26324	6.8
595.25140	1.3
603.27228	3.1
605.29706	10.6
606.29602	1.5
609.26581	2.9
613.25403	2.8
615.26019	7.5
616.25623	1.1
633.17725	1.2
633.26953	19.4
634.27264	4.0
635.31085	11.3
659.24542	1.1
677.24377	7.1
678.25433	1.9
695.26416	53.7
696.26508	10.3
721.61121	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
60.99308	1.8
61.98830	100.0
69.67970	1.3
70.96679	0.2
72.99316	0.9
74.86942	0.2
78.95911	0.4
81.49332	0.2
87.00868	0.2
88.98807	11.8
89.02449	2.1
89.99161	0.5
102.40965	0.2
121.02976	0.4
122.62061	0.2
173.35071	0.2
337.36960	0.2
438.29050	0.2
499.62109	0.2
624.83698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
61.98830	100.0
62.08756	0.1
62.98542	0.2
62.99231	0.1
78.95915	0.2
83.05061	0.1
98.20141	0.6
99.04527	0.4
118.57490	0.1
147.04562	0.4
148.04861	0.1
152.99644	0.1
170.93881	0.1
196.13570	0.1
294.25299	0.1
302.55710	0.1
571.28949	0.2
593.27112	0.1
613.30347	0.6
631.98010	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98122	0.1
56.47290	0.1
59.01379	0.6
61.98829	100.0
64.44328	0.1
70.11537	0.3
70.11923	0.3
76.42961	0.1
78.95880	0.2
82.25983	0.1
152.99609	0.1
159.92400	0.1
197.36740	0.1
220.10387	0.1
495.80283	0.1
641.86725	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	695.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.3
59.01383	1.2
64.98846	0.1
70.16192	0.3
70.16582	0.4
71.01369	0.7
83.01424	0.2
85.02950	10.9
89.02441	0.2
96.96008	0.5
101.02442	7.4
103.00221	0.1
103.04008	7.2
113.02442	0.2
125.02518	0.2
129.01939	54.3
130.02269	1.2
133.02933	2.0
134.03754	0.3
135.04509	2.2
138.01971	1.3
147.02989	100.0
148.03340	2.3
151.00375	0.2
161.02428	1.6
167.12329	0.2
177.01942	0.8
178.02420	0.3
179.03496	4.2
180.03931	0.3
191.01962	0.7
193.01433	0.2
193.05051	0.7
205.01408	0.2
206.08188	0.6
223.04611	0.5
249.07930	0.3
309.06149	6.3
309.13849	0.2
310.06580	0.5
327.76431	0.2
369.09818	0.2
682.19659	0.2
695.21313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56191	0.4
52.48778	0.4
57.03450	0.7
59.01381	100.0
60.01713	1.0
61.98832	19.2
69.58036	1.4
69.58445	0.7
71.01381	1.5
72.99316	0.5
73.02944	0.9
75.00897	0.8
81.03474	0.6
83.01399	0.5
83.05042	1.1
85.02946	3.9
85.23307	0.4
87.04506	2.3
88.98808	3.8
89.02464	0.7
90.98626	0.7
96.96008	2.0
98.20609	0.9
98.95592	0.8
99.00861	0.5
99.04505	4.3
99.92622	1.2
101.02467	0.9
101.06110	1.4
107.05086	0.5
109.02963	0.4
111.04537	1.6
115.92108	1.6
116.92850	6.6
117.92882	0.9
121.02993	1.3
127.04012	0.5
128.14709	0.4
137.06064	0.4
141.05612	1.7
147.04527	0.4
157.10201	0.6
161.09724	0.6
163.07634	0.5
189.09253	0.7
209.11897	0.4
265.66971	0.4
268.71350	0.4
339.16010	0.6
366.70468	0.5
415.21533	1.8
421.20468	0.9
455.21063	0.9
457.22641	1.7
475.23193	0.7
481.22461	2.1
499.23578	1.7
515.23199	0.4
517.24390	1.0
540.40747	0.5
541.24402	2.6
542.25244	0.5
545.20801	0.5
559.25623	4.0
560.25793	0.5
583.25757	0.9
601.26337	4.0
602.27704	0.6
613.27240	0.9
615.27429	1.1
631.29431	0.6
633.29382	0.9
633.39050	0.7
635.31110	1.6
651.40186	0.8
661.28394	0.6
663.30499	0.4
693.29126	3.8
694.28613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00612	0.1
59.01378	2.7
61.98829	100.0
62.98519	0.2
62.99286	0.1
63.99273	0.1
65.36771	0.1
71.01412	0.3
72.99300	0.7
73.02943	0.3
75.00871	0.1
75.48290	0.1
81.09333	0.1
85.02953	0.8
87.00926	0.1
87.04509	2.7
87.05000	0.2
88.98849	0.2
99.00873	0.3
99.04523	0.5
101.02483	0.1
101.06100	0.5
121.02965	0.5
129.02005	0.1
135.04575	0.2
147.04512	1.5
148.04779	0.1
218.40714	0.1
347.22336	0.1
351.83405	0.1
416.50110	0.1
473.25443	0.3
585.24939	0.2
593.26013	0.1
599.25800	0.2
617.27960	0.3
631.27527	1.8
632.28162	0.4
635.31854	0.2
662.29022	0.3
677.31799	0.2
695.33069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	57.2
61.98828	100.0
67.01879	1.7
68.70135	1.5
69.03440	3.9
69.14486	6.9
69.14912	6.2
71.01389	8.9
72.99306	1.6
73.02944	3.4
75.00870	4.3
78.95894	2.7
79.05524	2.1
81.03445	2.0
83.05031	7.2
85.02956	18.7
87.00875	1.4
93.03455	4.3
95.05013	2.2
98.20779	2.0
99.00908	2.0
99.04514	16.1
101.06055	2.8
103.05547	2.5
107.05043	2.8
109.02956	2.4
109.06591	1.8
109.20905	1.3
111.04538	6.8
119.05019	2.4
121.02955	24.1
121.06583	1.8
122.03251	2.3
123.04532	1.4
125.06023	2.2
131.05046	1.3
133.06584	2.8
135.04509	3.2
135.08154	1.9
137.06058	1.6
145.06598	9.1
147.04527	82.0
148.04816	4.2
150.06813	2.8
152.99626	1.3
153.05580	4.7
159.08102	2.9
161.05998	2.5
163.04001	4.3
169.22888	1.3
171.04573	10.6
171.10251	17.1
173.05923	1.6
173.09764	1.8
175.07542	1.3
186.10432	1.2
187.07655	1.9
191.10858	1.5
209.11800	3.2
211.13350	10.4
213.09195	1.6
252.92178	1.4
324.76523	1.2
373.20108	3.0
376.67441	1.4
419.17511	1.3
425.19974	1.4
427.21387	2.2
429.19138	6.5
445.22113	6.3
457.22009	1.4
503.23904	2.5
514.76978	1.7
533.25018	2.8
535.18903	1.4
545.25391	5.7
547.27191	2.2
557.25537	2.1
561.24792	1.7
575.26379	25.9
576.26404	4.4
597.26495	1.7
599.25958	3.6
601.24298	3.7
602.24231	2.1
603.25800	5.3
615.27325	2.0
617.27448	53.8
618.27820	8.8
619.26050	4.3
630.30725	1.9
631.28851	2.4
633.26813	3.5
635.28784	4.1
643.25952	3.0
649.30090	20.8
650.30408	2.6
657.28168	1.9
661.27118	22.4
662.27100	4.0
675.27716	9.4
693.28772	29.5
694.29663	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	693.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	57.2
61.98828	100.0
67.01879	1.7
68.70135	1.5
69.03440	3.9
69.14486	6.9
69.14912	6.2
71.01389	8.9
72.99306	1.6
73.02944	3.4
75.00870	4.3
78.95894	2.7
79.05524	2.1
81.03445	2.0
83.05031	7.2
85.02956	18.7
87.00875	1.4
93.03455	4.3
95.05013	2.2
98.20779	2.0
99.00908	2.0
99.04514	16.1
101.06055	2.8
103.05547	2.5
107.05043	2.8
109.02956	2.4
109.06591	1.8
109.20905	1.3
111.04538	6.8
119.05019	2.4
121.02955	24.1
121.06583	1.8
122.03251	2.3
123.04532	1.4
125.06023	2.2
131.05046	1.3
133.06584	2.8
135.04509	3.2
135.08154	1.9
137.06058	1.6
145.06598	9.1
147.04527	82.0
148.04816	4.2
150.06813	2.8
152.99626	1.3
153.05580	4.7
159.08102	2.9
161.05998	2.5
163.04001	4.3
169.22888	1.3
171.04573	10.6
171.10251	17.1
173.05923	1.6
173.09764	1.8
175.07542	1.3
186.10432	1.2
187.07655	1.9
191.10858	1.5
209.11800	3.2
211.13350	10.4
213.09195	1.6
252.92178	1.4
324.76523	1.2
373.20108	3.0
376.67441	1.4
419.17511	1.3
425.19974	1.4
427.21387	2.2
429.19138	6.5
445.22113	6.3
457.22009	1.4
503.23904	2.5
514.76978	1.7
533.25018	2.8
535.18903	1.4
545.25391	5.7
547.27191	2.2
557.25537	2.1
561.24792	1.7
575.26379	25.9
576.26404	4.4
597.26495	1.7
599.25958	3.6
601.24298	3.7
602.24231	2.1
603.25800	5.3
615.27325	2.0
617.27448	53.8
618.27820	8.8
619.26050	4.3
630.30725	1.9
631.28851	2.4
633.26813	3.5
635.28784	4.1
643.25952	3.0
649.30090	20.8
650.30408	2.6
657.28168	1.9
661.27118	22.4
662.27100	4.0
675.27716	9.4
693.28772	29.5
694.29663	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	693.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.1
59.01377	60.7
61.98823	22.5
69.03446	13.3
71.01376	21.3
71.05011	3.2
72.99308	8.0
73.02943	5.2
75.00883	2.9
79.05499	2.0
81.03465	1.9
82.36099	1.6
83.01390	3.5
83.05016	3.4
85.02956	22.3
87.00880	5.8
89.02447	4.7
93.03471	5.8
95.01418	2.9
95.05028	5.8
96.96012	5.9
97.02946	50.1
97.06613	1.7
98.03259	1.8
99.00883	54.3
99.04524	5.7
101.02443	6.7
107.05019	4.5
108.02157	2.2
109.02966	4.1
111.04516	7.4
113.02464	7.8
115.04011	44.7
119.05020	3.9
121.02958	14.2
121.06605	3.5
123.04515	8.9
125.02455	6.3
127.04024	4.0
134.03719	1.6
135.04506	4.2
137.02480	1.7
137.06039	2.7
139.04036	2.9
145.69365	1.6
147.04497	3.4
149.06102	9.8
151.03973	7.5
159.04312	1.9
159.89461	1.6
161.04532	1.6
161.06058	1.7
165.05576	5.1
166.05896	1.6
167.03482	2.7
171.10289	1.6
175.07690	2.4
176.04753	2.2
177.05588	5.4
185.11800	11.4
187.11234	1.7
193.05048	13.1
194.05893	2.4
195.06654	2.3
201.11348	7.0
209.11810	8.1
211.06088	4.5
215.10767	7.0
247.09631	1.8
254.67761	1.9
256.29169	1.7
256.72531	1.6
431.16882	2.0
439.18170	1.9
457.18307	8.3
459.20456	2.3
470.44592	1.7
475.20187	2.5
489.21347	4.5
502.16266	1.9
511.23700	2.5
513.21204	3.0
529.20563	2.2
531.22021	3.9
543.26459	2.9
547.21442	2.9
549.23590	3.0
555.22272	5.9
571.22253	2.0
573.23657	6.3
591.24469	2.8
601.22870	100.0
602.23480	16.6
649.30664	2.8
661.24109	4.2
675.32037	6.1
693.34106	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	693.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24426	0.3
52.04070	0.4
59.01379	100.0
60.01725	0.6
61.98831	3.8
71.01379	0.4
71.53426	0.4
78.95908	0.5
93.81375	0.4
98.19917	0.8
98.34452	0.3
100.59832	0.3
116.80336	0.3
121.02988	1.9
132.83116	0.4
135.50317	0.3
139.01183	0.4
140.28548	0.4
267.68570	0.4
270.41263	0.4
284.85611	0.4
578.68024	0.4
601.24701	1.5
633.26892	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	693.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70771	2.2
55.01865	3.4
57.03432	4.4
58.01987	2.4
59.01377	45.9
59.01839	2.6
60.81190	2.3
61.03475	2.6
67.69087	2.5
69.37127	17.3
71.01379	24.1
73.38558	3.0
79.95734	3.3
85.02959	14.9
87.00888	2.9
88.25728	2.4
89.02433	11.7
96.88025	2.3
96.96011	57.3
99.04501	10.8
101.02415	15.3
103.04017	19.1
113.02416	7.4
115.36147	2.8
118.75259	2.7
118.96757	2.6
119.03441	7.7
131.38449	2.4
151.04071	2.5
161.04553	2.9
179.05446	3.4
185.49504	3.0
203.10654	4.4
221.11752	4.3
265.08948	23.8
289.11166	81.8
290.11441	4.7
321.15405	5.5
360.39392	2.8
397.24548	2.7
513.19006	30.8
693.26001	100.0
694.26782	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	693.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	41.6
59.01678	1.6
61.98819	3.1
67.17676	1.6
69.30703	5.9
69.31127	9.0
71.01379	27.1
72.99306	3.2
73.02956	1.8
75.42627	1.9
76.21272	1.6
79.05518	1.9
83.01376	2.1
84.95082	2.4
85.02533	2.0
85.02956	20.1
87.00871	2.2
89.02438	14.2
91.43587	2.1
96.96010	4.0
99.00910	1.9
99.04494	5.8
101.02462	11.0
103.04017	33.4
106.73713	1.8
109.06568	2.7
113.02479	10.2
119.03477	4.7
125.02395	1.9
129.01906	2.8
135.08093	2.0
149.06055	2.0
151.03957	1.7
151.11229	2.4
153.09177	5.3
156.86389	1.7
167.10744	2.7
177.12871	2.0
203.10811	3.3
209.11801	3.8
221.11757	4.3
253.05084	3.1
265.09042	39.0
322.65735	2.3
401.18207	5.6
427.15903	4.2
445.17020	6.7
487.18100	2.6
513.19751	27.6
514.19885	6.0
590.79028	2.0
607.21863	2.9
615.04272	1.9
693.26031	100.0
694.26453	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	693.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	41.6
59.01678	1.6
61.98819	3.1
67.17676	1.6
69.30703	5.9
69.31127	9.0
71.01379	27.1
72.99306	3.2
73.02956	1.8
75.42627	1.9
76.21272	1.6
79.05518	1.9
83.01376	2.1
84.95082	2.4
85.02533	2.0
85.02956	20.1
87.00871	2.2
89.02438	14.2
91.43587	2.1
96.96010	4.0
99.00910	1.9
99.04494	5.8
101.02462	11.0
103.04017	33.4
106.73713	1.8
109.06568	2.7
113.02479	10.2
119.03477	4.7
125.02395	1.9
129.01906	2.8
135.08093	2.0
149.06055	2.0
151.03957	1.7
151.11229	2.4
153.09177	5.3
156.86389	1.7
167.10744	2.7
177.12871	2.0
203.10811	3.3
209.11801	3.8
221.11757	4.3
253.05084	3.1
265.09042	39.0
322.65735	2.3
401.18207	5.6
427.15903	4.2
445.17020	6.7
487.18100	2.6
513.19751	27.6
514.19885	6.0
590.79028	2.0
607.21863	2.9
615.04272	1.9
693.26031	100.0
694.26453	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	693.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49327	0.6
59.01381	27.9
61.26508	0.6
61.98832	7.4
71.01398	1.1
73.02942	0.7
75.00898	0.6
81.96349	0.6
83.05058	1.8
85.02944	0.6
88.98785	0.8
90.59062	0.5
93.03464	0.7
98.20668	1.4
99.04506	2.0
103.05544	0.8
107.05059	0.8
109.06637	0.6
119.05026	2.4
121.02958	100.0
122.03295	3.1
133.06613	1.6
135.04489	1.0
145.06615	1.0
147.04517	17.4
159.08192	1.5
161.06064	1.0
171.04494	1.9
171.08252	0.8
173.09650	1.2
179.29588	0.6
180.21407	0.6
187.11339	1.0
213.09148	0.8
276.11533	0.6
291.13824	2.0
337.02289	0.7
360.71442	0.6
392.61914	0.7
412.21405	0.7
445.22128	2.3
467.34598	0.6
476.44672	0.7
489.31927	0.7
521.25598	0.7
545.24792	1.1
575.26172	2.2
617.27563	12.4
618.27472	2.1
649.26520	13.8
650.26837	2.6
661.26306	1.9
662.26202	0.9
693.25360	50.3
694.25781	8.3
707.83545	0.7
709.71954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
61.98830	100.0
62.98532	0.2
71.52367	0.1
78.95898	0.1
119.23091	0.0
120.98237	0.0
121.02951	1.0
122.03332	0.2
147.04510	0.7
148.04839	0.2
149.05223	0.0
152.99675	0.1
173.20598	0.1
217.72691	0.1
306.41714	0.0
692.29352	0.6
693.30188	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	692.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38033	0.1
57.60946	0.1
58.78894	0.1
59.01375	2.5
59.96119	0.1
60.01717	0.3
61.01800	0.2
61.98829	100.0
74.59021	0.1
78.95924	0.1
121.02977	0.1
137.42007	0.1
175.64841	0.1
177.71088	0.1
178.17847	0.1
195.96568	0.1
238.47975	0.1
343.31638	0.1
343.37381	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90017	0.6
59.01377	56.2
60.01701	0.7
61.98830	46.4
69.18066	1.5
69.18474	5.0
71.01058	0.5
71.01372	3.3
72.99332	0.8
73.02942	1.3
75.00875	3.3
75.13984	0.5
78.95889	1.0
79.05499	0.8
83.05037	1.9
85.02954	8.4
87.00894	3.2
87.04513	3.7
88.98801	2.4
89.02470	1.8
96.96002	0.9
98.00097	0.8
99.00887	1.9
99.04528	5.0
101.02435	1.5
107.05013	0.9
113.02456	1.3
119.04996	1.3
121.02954	100.0
122.03313	3.2
129.01942	0.8
133.06644	0.8
135.04552	1.1
141.05579	0.7
143.03366	0.7
147.04507	17.1
149.06274	0.7
159.08073	0.8
161.04546	1.0
171.04602	0.9
171.10234	1.1
209.11925	0.7
234.13356	0.7
242.94565	0.6
332.37943	0.7
349.23724	2.5
429.18771	0.8
471.27335	7.0
472.27505	0.9
499.22955	0.8
509.65350	0.7
513.28168	0.9
547.14893	0.6
557.25836	0.8
601.24219	1.5
603.26459	0.8
607.17432	2.5
631.27563	5.1
633.37817	0.9
635.28357	0.8
649.26801	1.8
650.26678	0.8
661.27600	6.8
693.25226	51.4
694.25665	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	692.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.2
61.98831	100.0
63.65230	0.1
65.41058	0.1
71.01405	0.4
73.02944	0.3
81.43690	0.1
85.02957	1.3
89.02480	0.2
95.05037	0.1
96.96025	0.3
98.20678	0.3
99.04521	0.8
116.92885	0.1
121.02958	1.2
122.03803	0.2
123.04527	0.2
146.27245	0.1
147.04506	1.0
169.12306	0.2
171.10439	0.1
205.91838	0.1
209.11902	0.2
227.12994	0.1
318.02740	0.2
480.20358	0.1
553.24426	0.3
597.23920	0.3
629.26050	2.0
630.26727	0.2
632.34912	0.2
660.25665	0.2
661.26282	0.2
692.28107	0.2
693.28473	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44727	0.1
57.03454	0.3
59.01379	5.7
60.01720	0.2
60.43469	0.1
61.98829	100.0
68.66454	0.1
69.18976	1.5
71.01384	0.7
73.02959	0.2
81.03466	0.1
83.05031	0.5
85.02950	11.2
86.03286	0.2
89.02421	0.2
97.06604	0.3
98.27169	0.2
99.04515	1.9
101.02453	0.3
101.06093	0.3
107.05062	0.2
109.06612	0.3
111.04549	0.3
112.37403	0.1
113.02477	0.2
119.05083	0.2
121.02965	0.9
127.04036	0.3
132.42020	0.1
133.06599	0.5
135.04558	0.4
135.08173	0.2
137.06125	0.2
147.04553	1.4
151.11327	0.4
159.08188	0.2
161.09750	0.2
167.07236	0.4
169.12341	2.5
170.12718	0.6
172.10623	0.2
187.07706	0.2
187.11314	0.4
206.01874	0.2
209.11845	1.5
210.12219	0.6
211.13283	0.2
213.09221	0.3
213.11220	0.3
215.10762	0.5
245.11865	0.2
253.09204	0.3
274.03741	0.2
427.20688	0.2
441.19202	0.3
467.21027	0.2
485.21942	0.4
513.21442	0.2
543.25940	0.3
553.24548	0.3
629.25964	11.6
630.26312	1.9
659.33148	1.1
660.33112	3.2
661.34076	0.3
692.35583	0.3
693.28107	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25888	0.2
55.98970	0.3
59.01378	8.5
60.01723	0.3
61.98829	100.0
63.71008	0.2
63.96699	0.2
69.26803	2.2
69.61419	0.3
71.01385	0.8
75.00859	0.3
78.95914	0.8
83.05058	0.3
85.02953	0.7
88.98830	0.8
98.20644	0.6
99.04517	3.2
109.06591	0.3
121.02963	4.5
122.03300	0.6
128.00783	0.3
129.48619	0.3
133.06657	0.4
137.52060	0.3
144.07939	0.2
147.04503	3.8
148.04871	0.4
150.25902	0.2
171.10274	1.0
171.34842	0.3
186.65129	0.3
201.59427	0.3
203.80557	0.3
207.10225	0.3
209.11952	0.4
211.13428	1.2
221.17229	0.3
233.80208	0.3
255.17523	0.3
259.88181	0.3
295.15601	0.4
351.11444	0.3
356.41580	0.3
446.22949	0.4
497.43939	0.3
532.23950	0.8
569.27557	0.4
575.26294	0.4
587.28809	0.9
589.28479	0.3
601.24847	0.6
616.26611	1.0
617.28204	0.8
629.29602	6.3
630.30157	0.9
635.29608	0.3
643.26514	0.4
649.29584	0.5
657.29138	0.5
659.30292	0.3
660.29260	2.0
661.27332	0.6
692.28125	1.7
693.28778	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01716	0.8
61.25281	0.4
61.98823	1.2
64.90314	0.4
69.60976	0.4
71.01395	1.5
71.53222	0.4
73.02982	0.4
73.22640	0.4
78.95901	3.2
83.01410	0.6
85.02957	0.8
89.02493	0.4
96.96889	0.4
99.26185	0.4
99.28139	0.4
101.02453	1.0
104.05815	0.4
113.02455	0.7
113.05130	0.4
137.21121	0.4
141.48479	0.4
150.34767	0.4
152.99609	2.7
176.81273	0.4
179.36142	0.4
184.16475	0.4
209.11887	1.2
218.16537	0.4
227.12869	0.5
240.01492	0.4
277.21713	50.7
278.22119	4.2
279.23407	0.6
329.84134	0.5
330.13535	0.4
344.79514	0.5
371.20920	2.6
389.27426	0.4
413.21338	0.7
455.16742	2.3
691.39008	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66484	0.8
50.97267	0.8
57.03447	2.1
59.01378	43.1
60.99288	0.9
61.98830	59.2
69.03460	0.9
71.01380	12.1
71.05015	1.2
72.01659	0.8
72.99306	2.0
73.02949	3.5
75.00896	2.2
78.95926	1.1
80.02691	1.4
81.03477	2.7
83.01382	1.3
83.05029	7.7
84.02169	1.6
85.02946	6.5
87.00883	2.0
87.04517	2.1
88.98808	6.4
89.02448	4.7
95.05042	1.6
96.96016	2.3
97.02959	0.9
97.06604	4.7
98.66724	0.9
99.00878	5.9
99.04514	16.1
100.04858	0.8
101.02440	6.4
101.06097	4.8
109.02890	0.9
109.06551	1.5
111.04491	0.8
113.02435	4.1
119.03461	1.4
121.02962	7.7
123.04517	1.0
125.02404	1.2
125.06059	1.6
133.06601	1.1
135.04480	1.1
137.22478	0.8
147.04510	1.8
148.37326	0.8
151.11287	14.2
152.11653	1.1
155.27545	0.8
161.04633	1.0
163.11252	4.0
165.12852	2.7
169.12337	78.0
169.59741	0.9
170.12697	2.8
171.10254	4.1
187.11267	0.9
191.10843	1.2
195.10254	1.4
199.13551	0.8
201.11266	1.1
209.11815	55.5
210.12170	3.8
211.13408	5.7
213.11305	8.2
225.11319	1.5
227.12830	5.9
235.08304	1.0
253.09311	4.5
293.21432	1.7
349.35031	0.9
431.19681	2.2
432.19919	1.0
449.20389	4.1
458.14233	0.9
531.28204	1.1
555.25989	2.1
598.15771	1.0
599.24866	2.0
611.28467	1.6
613.29327	2.6
629.25995	5.8
631.27948	2.4
641.31744	1.8
647.28693	2.2
659.32813	100.0
660.33099	16.9
691.25800	2.9
691.36743	11.2
692.36487	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	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.3
57.03452	0.6
58.00616	0.4
59.01379	13.0
61.98829	10.0
62.91763	0.2
63.83029	0.3
70.68135	0.7
71.01383	3.1
72.99307	0.6
73.02940	1.2
75.00876	1.1
80.02686	1.0
81.03461	1.3
83.01398	0.7
83.05027	3.6
84.02166	0.8
85.02951	2.0
87.00880	0.8
88.98824	0.3
89.02440	1.8
95.05027	0.6
96.96028	0.8
97.06600	0.5
98.44453	0.3
99.00889	0.5
99.04514	6.7
101.02429	2.1
102.05656	0.3
113.02483	1.3
115.00333	0.3
116.92820	0.4
119.03527	0.3
125.02386	0.3
125.06094	0.6
125.09710	0.6
127.11285	1.4
133.06544	0.3
135.08154	0.5
137.09715	0.4
143.03500	0.4
146.04628	0.5
147.08083	0.3
152.04790	0.6
154.06348	0.4
161.04556	1.1
163.07674	0.4
163.11301	3.1
165.09132	0.5
165.12857	1.9
171.10289	1.8
171.11626	0.3
179.05562	0.4
181.12292	0.5
185.11900	0.3
187.11308	0.3
191.10780	0.8
199.09724	0.4
201.11322	21.8
202.11615	0.9
207.10315	0.3
209.11819	100.0
210.10339	0.4
210.12190	5.9
225.11398	0.3
227.12888	14.5
228.13214	1.3
235.08214	2.7
236.08669	0.3
253.09264	7.8
254.09602	0.3
286.17126	0.3
295.15372	0.6
314.03918	0.3
347.22083	0.3
375.22009	0.4
393.22699	0.4
423.23199	0.3
437.20209	0.9
445.20807	2.7
447.23740	0.3
455.24692	0.3
457.21649	0.4
463.21735	0.6
473.25391	1.0
475.23151	0.6
485.25586	0.4
517.24231	0.8
527.26245	1.1
549.26831	0.6
559.25244	0.4
569.27490	0.6
571.25635	0.4
589.26599	0.6
591.28186	1.2
599.28253	1.0
600.28876	0.5
607.27478	0.4
613.26501	0.7
631.27448	0.9
633.28979	1.3
637.32288	0.5
647.32465	0.3
649.28619	4.4
649.38660	0.2
650.29102	0.7
655.33801	0.4
691.29694	11.7
692.30103	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	691.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01728	0.8
61.98827	2.2
71.01383	11.7
71.52503	0.4
78.95931	1.4
79.40185	0.5
81.28916	0.4
98.75463	0.4
102.40216	0.4
103.31400	0.4
111.63174	0.4
121.02955	0.6
196.65483	0.4
244.47081	0.5
263.20093	0.7
277.21857	1.8
523.41138	0.4
619.26111	0.6
672.25555	0.5
691.27515	4.8
691.44922	1.0
692.28632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29673	1.2
57.22650	1.1
57.91608	1.1
59.01382	11.8
61.98831	62.7
71.01389	3.9
71.52431	1.1
75.00875	1.3
75.75746	1.2
78.95916	3.6
83.05012	1.4
84.95133	2.7
85.02954	1.2
88.98839	1.2
96.96969	1.4
99.04545	3.6
101.06084	62.1
107.05073	2.0
111.04574	1.3
119.05067	2.2
121.02955	100.0
122.03268	2.8
131.05026	2.1
133.06618	6.0
135.04526	2.3
139.44797	1.1
145.02951	3.1
147.04526	31.4
147.05679	2.0
147.08385	1.1
152.99634	2.2
156.84227	1.2
159.08217	1.3
160.45235	1.1
184.05318	1.7
199.07614	1.8
209.11884	2.6
213.09200	5.2
328.90530	1.1
427.21249	18.6
428.21671	1.8
513.21918	1.4
531.23932	5.5
587.27924	1.9
597.29095	1.4
615.29645	31.2
616.30347	4.7
629.27618	6.2
647.32214	25.2
648.33051	4.6
659.29358	2.0
691.31372	48.1
692.31744	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	691.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
58.00592	0.4
59.01378	10.6
61.98832	2.8
63.59875	0.4
69.03450	0.4
69.30618	2.2
69.31031	0.9
71.01387	4.4
72.99297	0.9
73.02935	2.2
75.00865	2.6
80.02673	0.8
81.03456	1.4
83.01384	0.8
83.05025	4.2
84.02161	0.5
85.02959	2.8
85.88149	0.4
87.00878	1.5
88.64127	0.4
89.02464	1.8
93.03397	0.4
95.05101	0.4
96.96020	0.6
97.02940	0.6
97.06590	1.2
99.04519	12.1
101.02453	1.8
102.05575	0.4
109.06583	0.5
113.02456	1.4
125.02402	0.5
125.06075	0.5
125.09731	1.1
127.11279	1.1
135.08192	0.6
137.06033	0.4
143.03497	0.5
146.04582	0.8
147.08122	0.5
148.99516	0.3
152.04768	2.5
154.06395	2.2
161.04506	0.7
163.11293	3.2
165.09079	0.5
165.12897	1.8
171.10297	1.0
181.12428	0.6
186.96371	0.4
191.10745	0.7
201.11317	20.3
202.11600	0.5
209.11815	100.0
210.12135	4.5
225.11430	0.4
226.11542	0.4
227.12871	13.1
228.13283	0.8
235.08185	2.8
241.77017	0.4
253.09280	7.1
276.52048	0.4
280.23654	0.4
295.15616	0.7
347.22333	0.4
361.20261	0.5
373.20090	0.5
375.21848	0.5
393.22775	1.1
423.23901	0.7
429.26688	0.4
437.20065	1.2
445.20618	2.8
455.24091	0.5
473.25330	1.6
485.25381	0.7
503.26257	1.2
505.28110	0.6
515.26428	0.9
517.25092	0.8
527.26550	1.1
531.25629	0.4
549.26752	1.8
556.47729	0.4
569.27039	0.5
571.25195	0.8
589.26520	1.5
591.28101	4.0
592.28918	0.5
595.25171	0.6
597.27295	0.5
601.26630	0.5
613.26544	1.7
629.32092	0.6
631.27594	4.2
632.27582	0.6
633.29272	6.3
634.29706	0.6
637.32819	0.5
641.00909	0.4
649.28601	10.7
650.28986	1.7
655.26825	0.7
661.28546	1.2
673.28052	0.8
691.29669	27.1
692.29950	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	691.297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.2
59.01379	30.5
61.98801	4.8
65.74027	1.2
66.40749	1.3
71.01384	8.6
72.99292	4.4
73.02950	11.7
75.00867	14.5
81.03435	1.7
83.01371	1.7
83.05009	5.2
85.02928	5.5
87.00864	2.4
88.98789	2.4
89.02428	3.6
96.95987	1.5
97.02906	3.1
97.06573	3.5
97.53139	1.3
98.55173	1.4
99.04517	40.5
100.04852	1.9
101.02409	2.8
109.03010	1.6
111.04468	2.1
113.02430	1.9
113.30379	1.2
119.03371	1.3
125.02497	2.1
128.44734	1.5
135.04568	1.4
152.04800	8.2
153.05441	1.4
154.06366	7.4
161.04552	1.6
163.11203	3.0
165.12769	2.2
165.22830	1.5
176.04785	2.0
191.10782	1.6
201.11296	20.6
201.12950	3.0
202.11639	1.7
209.11815	100.0
210.12076	5.2
225.11226	1.2
227.12808	12.2
235.08148	2.8
253.09229	9.0
295.15329	2.3
337.16458	2.2
349.20212	1.4
356.54071	1.3
391.20959	1.7
409.20029	1.4
423.23871	4.5
445.20789	3.8
473.25317	3.9
475.23257	1.8
485.25525	1.6
497.25143	2.0
503.26343	4.1
505.27975	2.7
513.24799	1.4
517.24121	2.4
527.26807	1.3
531.25684	2.4
549.27045	6.4
555.26202	1.6
571.25586	3.0
573.26880	1.9
587.28217	1.7
589.26453	3.3
591.28040	17.2
592.28571	1.8
599.89368	1.4
613.26581	10.7
615.28296	6.3
631.27557	25.5
632.27649	4.5
633.29181	54.4
634.29596	10.1
637.26208	3.8
643.27704	2.5
649.28595	11.2
650.29120	2.0
655.27374	4.5
661.28693	10.1
673.29004	7.9
691.29608	49.1
692.29822	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	691.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74803	1.2
59.01377	29.3
60.01705	1.7
61.01815	1.5
61.98830	100.0
71.01361	2.3
73.13691	1.2
78.95899	6.4
121.02947	20.4
147.04535	14.0
148.04845	1.6
152.99554	3.5
163.87715	1.2
171.10283	1.3
179.94441	1.3
190.04625	1.3
209.11842	3.1
340.26849	1.4
460.35425	1.4
472.01486	1.4
583.70215	1.8
589.27203	1.8
691.28662	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	691.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25781	1.0
59.01377	39.1
61.98832	37.1
61.99155	0.8
66.19180	1.1
71.01384	1.6
71.52180	0.9
71.52579	1.2
78.95900	15.6
81.12617	1.0
90.50533	1.1
93.76439	1.1
96.96944	1.4
117.15026	1.0
119.04979	1.6
121.02958	38.6
122.03262	1.9
147.04520	100.0
148.04791	3.8
152.99588	9.9
181.47668	1.2
209.11789	5.3
211.13387	2.2
219.12535	1.1
272.39084	1.2
277.21652	2.6
290.62964	1.2
295.22693	3.2
332.97498	1.4
427.74612	1.2
431.21667	2.9
589.82104	1.4
659.35419	7.5
691.28894	57.2
691.37799	3.9
692.29413	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22652	1.3
57.03444	3.1
58.00587	2.3
59.01379	55.4
61.98819	10.1
68.99598	2.2
69.31158	3.1
69.31567	10.2
71.01382	38.5
71.05012	4.1
72.99334	2.9
73.02941	6.7
75.00875	2.4
80.89732	1.3
81.03443	2.0
83.01398	3.7
83.05019	3.0
85.02946	11.6
85.03374	1.9
85.44561	1.7
87.00874	5.4
89.02450	28.6
92.99107	1.5
95.01377	2.3
96.96014	18.1
97.02944	2.4
97.06632	2.1
98.20262	6.9
99.00873	2.9
99.04520	35.7
101.02448	22.2
103.03989	2.0
109.02953	2.3
109.06580	1.6
110.98159	1.4
113.02449	13.4
115.04010	2.2
117.05582	25.6
119.03484	9.4
123.48007	1.5
135.04468	3.5
147.08138	1.7
147.11789	1.6
150.03180	1.8
152.07147	1.9
159.85309	1.6
161.04497	3.2
161.13353	8.5
171.10126	2.1
174.01714	3.5
179.05588	2.5
180.31271	1.6
185.13354	2.7
187.11279	16.5
188.11406	2.0
193.04932	2.3
201.11388	7.1
203.14342	3.5
205.12357	16.3
209.11821	31.5
227.12924	7.4
229.10201	1.5
229.12305	8.6
235.08185	1.7
247.13332	5.9
249.11275	8.4
253.09258	3.6
279.08011	2.6
279.10873	32.5
291.12509	2.1
300.02603	2.9
429.17566	3.6
467.22800	14.6
468.23340	1.8
511.21738	36.0
512.22125	6.2
529.23737	1.9
549.27069	6.2
591.22925	3.9
631.31720	8.5
655.32263	2.2
659.23859	2.0
673.22876	2.3
691.28143	100.0
692.29034	12.6
715.55896	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	691.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22652	1.3
57.03444	3.1
58.00587	2.3
59.01379	55.4
61.98819	10.1
68.99598	2.2
69.31158	3.1
69.31567	10.2
71.01382	38.5
71.05012	4.1
72.99334	2.9
73.02941	6.7
75.00875	2.4
80.89732	1.3
81.03443	2.0
83.01398	3.7
83.05019	3.0
85.02946	11.6
85.03374	1.9
85.44561	1.7
87.00874	5.4
89.02450	28.6
92.99107	1.5
95.01377	2.3
96.96014	18.1
97.02944	2.4
97.06632	2.1
98.20262	6.9
99.00873	2.9
99.04520	35.7
101.02448	22.2
103.03989	2.0
109.02953	2.3
109.06580	1.6
110.98159	1.4
113.02449	13.4
115.04010	2.2
117.05582	25.6
119.03484	9.4
123.48007	1.5
135.04468	3.5
147.08138	1.7
147.11789	1.6
150.03180	1.8
152.07147	1.9
159.85309	1.6
161.04497	3.2
161.13353	8.5
171.10126	2.1
174.01714	3.5
179.05588	2.5
180.31271	1.6
185.13354	2.7
187.11279	16.5
188.11406	2.0
193.04932	2.3
201.11388	7.1
203.14342	3.5
205.12357	16.3
209.11821	31.5
227.12924	7.4
229.10201	1.5
229.12305	8.6
235.08185	1.7
247.13332	5.9
249.11275	8.4
253.09258	3.6
279.08011	2.6
279.10873	32.5
291.12509	2.1
300.02603	2.9
429.17566	3.6
467.22800	14.6
468.23340	1.8
511.21738	36.0
512.22125	6.2
529.23737	1.9
549.27069	6.2
591.22925	3.9
631.31720	8.5
655.32263	2.2
659.23859	2.0
673.22876	2.3
691.28143	100.0
692.29034	12.6
715.55896	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	691.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
58.00581	1.8
59.01379	37.5
61.98840	1.1
65.72144	0.6
65.74325	0.5
66.66288	0.7
70.47126	2.1
71.01380	22.3
71.05019	4.9
72.99300	2.0
73.02954	1.4
83.01383	2.1
83.05003	1.0
85.02941	6.4
86.24988	0.6
87.00864	1.3
89.02443	18.0
95.01369	1.6
95.04999	0.9
96.96008	4.8
99.04522	18.6
101.01801	0.9
101.02446	12.9
103.04016	3.0
108.08199	7.0
113.02454	7.7
113.06104	0.7
115.07661	0.8
116.92866	0.8
117.05581	28.2
118.05984	0.6
119.03486	5.9
125.02428	0.8
129.39079	0.5
135.04521	1.0
135.08195	0.6
143.03517	1.0
150.03215	0.7
152.07173	10.4
159.06744	0.7
161.04579	1.0
161.13336	6.8
166.08727	4.8
179.05641	1.0
185.13348	1.4
187.11261	9.0
188.11568	0.8
194.08163	3.9
196.06111	2.2
203.14389	1.3
205.12321	7.7
206.49358	0.6
209.11810	3.3
219.13930	1.2
227.12830	0.7
229.12241	4.3
238.07240	1.1
247.13358	1.8
249.11328	5.0
253.09103	0.7
265.09335	1.2
279.10846	37.1
280.11063	1.6
289.11151	4.4
291.12360	1.5
291.57578	0.6
328.36340	0.6
400.16049	1.0
426.13928	2.1
429.17496	1.4
444.15103	18.2
467.22781	13.5
468.22949	1.9
486.16183	1.0
511.21820	15.6
512.21857	2.1
531.20947	0.9
591.22736	1.0
648.21381	2.5
678.37677	0.8
691.28131	100.0
692.28497	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	691.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02171	0.6
55.08599	0.5
59.01381	19.3
61.72653	0.5
61.98829	5.4
63.95096	0.5
66.34286	0.5
69.20462	3.3
69.20895	2.5
71.01381	1.9
73.15110	0.5
81.03458	0.9
83.05029	2.3
85.02950	0.7
87.75315	0.6
95.05048	0.6
97.06598	0.7
99.04527	2.6
101.06091	1.5
103.05534	3.8
107.05034	2.2
109.06556	1.1
111.04529	1.5
112.60511	0.7
115.05571	0.7
117.07144	0.7
119.05018	2.2
121.02960	2.9
125.06028	0.6
131.05045	3.2
133.06596	5.3
135.04507	2.4
135.08148	0.8
141.05597	1.2
145.06606	1.2
147.04517	100.0
148.04791	2.9
151.07669	0.9
159.08179	0.8
161.06059	4.6
161.09662	0.9
163.07651	1.3
167.07123	1.2
173.06084	0.9
173.09695	1.6
175.07602	0.8
177.05563	2.7
187.11272	1.5
188.08260	0.6
191.07124	0.8
198.06818	1.0
213.09192	2.0
214.25641	0.6
215.10689	3.1
253.12392	0.7
271.13498	0.7
297.14731	0.7
379.19049	0.8
381.17084	1.0
399.17969	0.9
407.18381	1.2
421.20193	0.6
425.19821	2.2
439.20993	1.0
441.19077	3.2
443.20761	1.0
467.20749	2.1
485.21729	4.1
503.22787	1.4
573.24951	1.7
605.27411	4.1
615.26190	5.2
647.28503	3.0
659.25513	1.1
688.43622	0.7
691.27509	38.2
692.27905	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	691.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33175	0.7
59.01380	37.7
61.98829	35.5
69.03443	1.2
71.01353	2.8
73.02940	1.2
75.00874	0.9
75.09161	0.7
78.95874	2.7
83.05013	2.2
84.95092	2.8
85.02927	2.4
98.20042	3.2
99.04523	3.9
101.06078	8.6
103.05506	1.4
105.01928	1.1
107.05008	1.8
109.06571	1.9
113.06016	0.9
119.05017	1.9
121.02956	21.0
122.03263	0.8
131.04970	1.0
133.06549	2.3
135.04469	3.0
135.08144	0.9
137.06032	0.9
141.05537	1.4
141.07062	1.3
147.04521	100.0
148.04895	3.8
148.28798	0.8
149.06055	1.3
152.99516	1.6
157.06525	1.4
167.07062	0.9
171.08133	0.8
182.57268	0.8
184.05305	5.8
185.05962	1.2
209.11816	1.8
211.13226	1.4
213.09212	2.1
215.10779	1.0
227.12796	1.1
384.29172	0.7
407.18167	1.1
427.20816	2.5
467.20804	1.5
531.23590	1.5
543.22113	1.7
571.26404	1.9
572.27020	0.8
587.25922	2.2
615.26379	6.2
616.26727	1.6
647.32153	4.1
648.32086	1.4
659.24872	5.6
660.25232	1.3
691.27661	30.1
692.28156	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	691.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02171	0.6
55.08599	0.5
59.01381	19.3
61.72653	0.5
61.98829	5.4
63.95096	0.5
66.34286	0.5
69.20462	3.3
69.20895	2.5
71.01381	1.9
73.15110	0.5
81.03458	0.9
83.05029	2.3
85.02950	0.7
87.75315	0.6
95.05048	0.6
97.06598	0.7
99.04527	2.6
101.06091	1.5
103.05534	3.8
107.05034	2.2
109.06556	1.1
111.04529	1.5
112.60511	0.7
115.05571	0.7
117.07144	0.7
119.05018	2.2
121.02960	2.9
125.06028	0.6
131.05045	3.2
133.06596	5.3
135.04507	2.4
135.08148	0.8
141.05597	1.2
145.06606	1.2
147.04517	100.0
148.04791	2.9
151.07669	0.9
159.08179	0.8
161.06059	4.6
161.09662	0.9
163.07651	1.3
167.07123	1.2
173.06084	0.9
173.09695	1.6
175.07602	0.8
177.05563	2.7
187.11272	1.5
188.08260	0.6
191.07124	0.8
198.06818	1.0
213.09192	2.0
214.25641	0.6
215.10689	3.1
253.12392	0.7
271.13498	0.7
297.14731	0.7
379.19049	0.8
381.17084	1.0
399.17969	0.9
407.18381	1.2
421.20193	0.6
425.19821	2.2
439.20993	1.0
441.19077	3.2
443.20761	1.0
467.20749	2.1
485.21729	4.1
503.22787	1.4
573.24951	1.7
605.27411	4.1
615.26190	5.2
647.28503	3.0
659.25513	1.1
688.43622	0.7
691.27509	38.2
692.27905	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	691.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
59.01381	20.9
61.98829	7.4
62.61525	0.2
68.99823	0.6
69.03464	0.4
69.60026	0.2
71.01392	1.7
72.99312	0.3
73.02943	0.6
78.95904	0.3
79.05563	0.3
81.03471	0.9
83.01405	0.3
83.05032	2.0
85.02959	0.8
88.98828	0.5
93.03481	0.5
95.05000	0.3
98.20655	0.9
99.00872	0.3
99.04519	3.0
103.05524	2.7
105.07107	0.5
107.05042	1.9
109.02982	0.5
109.06598	1.8
111.04546	1.3
113.06100	0.3
115.05573	0.6
117.07122	0.7
119.05037	1.8
121.02966	2.1
121.06659	0.4
123.04522	0.4
125.06091	0.5
127.03992	1.2
131.05042	2.4
133.06598	4.7
135.04533	2.5
135.08186	0.7
137.06068	0.4
141.05556	0.6
143.05005	0.6
145.06618	0.8
147.04524	100.0
148.04861	4.1
149.06094	1.1
151.04034	0.3
151.07632	0.6
152.99565	0.4
153.05574	0.5
157.06596	0.7
159.08180	1.0
161.06091	5.4
161.09734	1.0
162.06586	0.3
163.07631	0.8
165.09172	0.3
167.07137	1.3
169.05106	0.4
169.10249	0.2
170.07314	0.3
171.04518	0.4
171.08156	0.8
171.10323	0.3
173.06104	1.0
173.09750	0.9
174.06813	0.3
175.07629	0.8
175.46387	0.3
179.07108	0.6
183.08119	0.4
183.74348	0.3
185.06097	0.5
185.09727	0.5
187.07643	0.6
187.11322	1.3
188.08432	0.3
189.09238	0.9
191.07121	0.4
192.08061	0.3
193.08646	0.6
197.09735	0.4
198.06865	0.4
199.07739	0.3
200.08490	0.5
201.09186	0.5
207.08327	0.2
207.10309	0.9
209.11852	0.6
211.07593	0.2
211.11322	0.5
211.13394	0.3
212.08540	0.3
213.09245	2.5
215.10757	2.3
225.09235	0.4
239.10675	0.3
241.08763	0.3
245.11754	0.7
253.12253	0.4
255.14116	0.4
271.13388	0.5
279.13742	0.3
295.13309	0.4
297.14969	0.6
317.54034	0.3
323.13086	0.4
325.14517	0.4
341.13882	0.8
370.34845	0.3
379.19220	0.5
381.17078	0.9
382.17221	0.4
397.20190	0.3
399.17957	0.7
407.18512	1.5
425.19720	2.3
426.19443	0.4
439.21179	0.7
441.19098	2.5
442.19754	0.3
443.20721	0.7
467.20880	1.4
468.20792	0.3
485.21912	2.9
486.22018	0.4
499.23520	0.6
503.23090	1.2
555.24207	0.4
571.26416	0.5
573.24921	2.3
574.25043	0.4
587.26550	0.7
597.24768	0.3
603.27173	0.3
605.27460	3.2
606.28021	0.6
615.25928	4.6
616.26593	0.8
647.28436	4.0
648.28925	1.0
659.26471	1.1
663.27698	0.3
691.27527	35.1
692.27869	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	691.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89665	0.4
55.01875	0.5
57.03455	1.6
59.01380	67.9
60.01720	0.6
61.98832	29.4
68.99806	1.4
69.03455	1.9
70.71729	1.0
71.01380	3.2
71.05030	0.6
72.99319	0.6
73.02965	1.0
75.00863	0.5
77.58273	0.5
78.95916	1.1
79.05520	1.2
81.03447	2.2
83.05026	4.4
85.02959	3.3
93.03481	1.0
95.01392	0.5
95.05042	2.0
97.02965	0.9
98.00087	3.0
99.00853	0.7
99.04522	7.2
101.02448	1.3
101.06072	3.9
103.05548	1.8
107.05025	4.8
108.02175	0.4
109.02952	1.4
109.06596	4.7
111.04520	3.5
113.02451	0.6
113.06121	0.9
115.05495	1.4
119.05018	2.4
121.02959	7.4
121.06627	1.4
122.03268	0.4
123.08138	0.4
125.06080	0.9
125.50278	0.4
127.04008	1.6
129.07155	0.6
131.05003	0.7
133.06598	1.0
135.04520	7.6
135.08139	1.2
137.06087	1.3
141.05594	4.7
141.07089	5.9
142.07478	0.7
143.05023	2.8
145.06618	1.0
146.09422	0.4
147.04518	100.0
147.08208	1.3
148.04872	4.0
149.06123	1.1
151.03981	0.6
152.99585	0.9
153.05556	0.7
155.08675	1.7
156.05769	0.6
157.06587	3.9
159.08202	2.0
161.06049	0.5
161.09702	1.0
163.07640	1.4
167.07170	2.5
167.08446	0.6
171.08073	0.7
173.06079	0.9
173.09705	0.6
175.07614	0.5
183.04512	0.6
184.05289	20.4
185.05977	3.8
187.07608	0.5
191.06909	0.5
191.10909	0.5
193.08678	0.6
201.09406	0.5
203.07140	0.6
207.10127	0.6
209.11896	1.0
211.13326	0.6
213.09351	0.6
219.11900	0.6
227.10767	0.4
235.11221	0.9
241.08699	0.5
243.10297	0.5
251.10605	0.6
263.10898	0.5
268.26294	0.4
273.16431	0.6
275.14471	0.5
291.13831	0.8
295.95230	0.5
299.14334	0.7
317.15454	0.8
322.24667	0.5
327.15958	0.4
367.08295	0.5
371.19604	0.5
386.11792	0.5
439.21057	0.6
451.17184	1.2
467.26157	0.8
483.19977	0.8
487.19812	0.6
493.23871	0.6
497.25064	0.6
499.25165	1.0
504.31464	0.5
511.18842	0.6
511.25098	1.2
515.26843	0.7
525.26514	0.9
527.24689	1.0
543.22400	5.4
544.22406	0.8
555.23853	1.3
559.27020	2.6
563.29480	0.7
569.25140	1.0
571.26984	7.4
572.27710	0.8
573.24805	1.2
585.28088	0.6
587.26648	5.6
588.26508	0.5
595.25464	0.7
597.24902	1.7
603.27240	0.7
613.25763	0.5
615.26019	22.1
616.26282	4.7
629.29395	1.0
631.27643	2.6
641.24377	0.6
647.28387	2.2
647.57959	0.5
659.24701	12.6
660.24927	2.5
691.27454	38.6
692.27881	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	691.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19039	1.1
59.01381	100.0
61.98833	41.9
62.29803	1.1
65.99160	1.1
68.99805	1.4
69.03423	1.1
71.01378	4.8
75.00867	4.4
79.57246	1.1
81.03448	2.0
81.93152	1.1
83.05024	7.4
85.02930	5.5
88.98807	2.6
96.95995	2.2
97.02961	1.1
97.06578	1.0
98.00076	3.4
99.04523	7.4
101.06066	2.9
106.57467	1.1
107.05007	3.5
109.06567	4.0
111.04513	4.1
115.05532	5.9
119.04987	1.8
121.02897	3.4
121.06638	1.5
127.04015	1.9
133.10234	1.8
135.04468	5.0
137.05975	1.2
141.07059	4.7
143.04984	4.3
145.06557	1.7
147.04529	27.4
147.08128	2.2
149.06018	2.2
151.07643	1.2
155.05038	1.1
155.08612	2.9
157.06531	3.7
167.07095	4.1
171.10191	2.2
173.05974	1.1
183.04446	1.2
184.05276	16.8
185.05869	3.6
185.11870	1.5
185.53699	1.2
193.08664	1.2
201.11165	1.2
209.11806	3.2
211.13289	1.6
219.48187	1.1
227.12636	1.0
235.11223	1.2
247.14905	2.1
263.14410	2.3
273.16547	1.4
288.83371	1.1
291.13821	2.0
293.20963	1.5
317.15479	1.5
335.12573	1.2
415.14255	1.9
483.25272	2.4
527.24951	2.2
529.25897	2.2
543.27185	2.4
545.26044	1.4
555.24689	3.8
561.28296	2.5
571.26978	12.2
572.26941	1.9
573.24878	5.6
574.25708	1.5
587.26117	3.1
589.27612	1.7
603.29150	2.5
605.27368	2.3
615.25983	17.5
616.25946	3.6
631.28021	1.7
647.28625	9.9
659.24115	9.5
691.27466	50.7
692.28040	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	691.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01325	0.9
57.03430	1.0
59.01381	100.0
60.99306	2.7
61.98830	37.1
69.03465	1.2
71.01392	5.6
73.79089	1.0
78.35025	0.8
79.05581	1.1
80.96566	0.8
81.03479	1.4
83.05032	3.9
85.02947	3.2
88.98808	13.9
93.03446	1.7
95.04985	1.1
96.95825	0.8
97.02942	1.9
99.00890	3.1
99.04535	5.6
101.02462	1.3
101.06088	0.9
103.05553	2.5
105.07116	1.4
107.05058	2.8
109.06590	2.0
111.04521	3.7
113.02425	1.1
114.67798	1.0
117.07093	1.3
119.05048	2.5
121.02982	4.6
121.06562	1.5
123.04501	1.4
127.04000	2.5
131.05049	4.7
133.06625	6.2
135.04524	3.1
137.06143	1.0
145.06558	2.0
147.04523	82.2
148.04892	3.2
149.06133	1.1
153.05550	1.1
157.06546	1.3
159.08157	2.2
161.06052	6.4
161.09772	3.5
163.07611	1.3
165.09138	1.2
167.07141	2.1
170.07361	0.9
171.04546	3.3
171.10213	1.0
173.06169	1.0
173.09697	1.5
185.09830	1.3
187.07556	1.1
187.11172	1.6
189.09160	1.0
192.07919	1.2
193.08748	1.9
207.10316	1.2
209.11815	1.2
211.13353	1.5
213.09229	2.8
239.10645	1.0
293.21173	1.2
341.13892	2.2
379.19116	2.2
397.20328	3.5
407.18967	1.4
425.19711	3.5
439.21310	1.3
443.20782	1.9
497.25415	1.6
527.24664	4.0
531.24115	1.8
545.25415	1.2
555.24377	3.6
559.26465	1.1
573.25085	6.3
574.25079	1.4
587.26685	2.2
597.25049	1.9
605.27405	8.4
606.27698	1.3
615.25891	11.9
616.26770	2.4
628.28522	1.5
629.28589	1.1
647.28656	19.9
647.39197	1.3
648.28564	4.5
655.27448	1.3
659.24524	1.2
691.27411	50.9
692.27448	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	691.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77957	0.7
53.37891	0.8
57.03440	1.5
59.01379	58.9
60.15808	0.7
61.98831	21.4
62.17371	0.8
63.68569	0.9
67.71863	0.8
68.99802	0.9
69.03435	1.5
69.17532	7.8
70.76665	0.8
71.01359	3.4
78.95894	2.5
81.03444	2.7
83.05009	3.6
85.02953	10.4
88.98794	1.2
95.05022	1.9
96.96007	1.3
98.00069	1.7
98.19950	1.8
98.20603	1.9
99.00886	1.4
99.04508	6.4
101.02437	1.8
103.05481	1.4
107.05022	5.2
107.48642	0.8
109.06567	3.4
111.04495	2.2
115.03969	1.0
117.03426	0.9
119.05017	2.2
121.03002	5.1
121.06602	1.0
123.08147	0.9
125.06049	1.2
127.03998	0.9
131.05023	1.4
133.06561	1.0
135.04520	4.6
135.08118	1.3
137.06027	1.4
141.05571	3.2
141.07129	6.1
145.06694	0.8
147.04518	100.0
148.04869	4.1
152.99562	2.0
155.08670	1.0
157.06596	3.0
159.08113	2.2
167.07094	2.2
178.78311	0.9
184.05289	17.6
185.05902	2.4
186.65637	0.8
207.10170	2.2
209.11792	0.9
211.13354	0.9
225.11302	1.1
349.18085	0.9
373.20502	1.0
427.20718	0.8
465.24356	0.8
467.20627	1.1
499.24347	1.4
543.22241	6.4
555.24042	1.0
559.27094	2.6
571.26807	5.7
572.26788	1.0
573.25287	1.7
587.26343	3.5
588.26404	1.3
597.24890	2.2
615.25787	16.7
616.26086	2.3
641.24329	1.3
647.28088	1.5
653.29541	5.2
659.24731	17.5
660.25067	2.5
691.27441	43.4
692.27759	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	691.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
59.01379	100.0
60.01717	0.9
60.99296	3.7
61.98832	17.2
69.03475	1.1
71.01381	3.6
71.53707	1.0
72.99308	3.4
75.00855	0.9
75.47987	0.7
78.95895	3.4
79.05518	1.0
81.03481	1.3
83.05009	4.9
85.02946	5.0
88.98274	1.4
88.98806	21.9
89.02445	3.5
93.03455	0.9
95.04995	1.9
98.20141	0.9
99.00862	3.3
99.04498	5.8
101.02441	6.1
103.05568	1.0
105.07101	0.9
107.05006	2.4
109.02943	1.6
109.06593	3.1
111.04503	3.9
115.05563	1.3
117.07077	0.9
119.05028	1.4
121.02964	10.4
121.06593	1.1
123.04530	2.1
123.08163	1.3
125.02436	0.8
127.03969	2.0
131.05016	1.7
133.06590	4.9
135.04526	4.5
135.08124	1.0
137.06117	0.9
141.07091	1.1
143.05090	1.6
145.06580	1.4
147.04517	70.5
148.04840	3.0
149.06078	2.4
151.03975	1.1
152.99553	1.4
157.06602	1.6
159.08183	1.1
161.06088	6.1
161.09741	2.4
165.05559	1.4
167.07117	2.3
171.04491	1.9
175.07642	1.4
184.05261	3.3
185.06100	1.1
185.09689	1.4
187.07623	1.1
187.11200	1.3
192.37051	0.8
193.05013	2.6
193.08673	2.0
207.10278	1.1
209.11821	2.2
211.13368	0.9
213.09247	1.9
217.08665	0.9
233.82445	0.7
245.11787	1.0
253.12329	0.8
328.56006	0.9
333.40643	1.0
397.20245	1.3
399.18079	1.0
425.19568	2.1
428.52066	1.0
439.21228	1.4
509.23102	1.7
527.24463	2.6
531.22620	1.1
555.23755	2.7
561.23724	1.9
571.27063	3.6
573.24927	5.1
587.26520	1.7
597.24451	1.4
605.27527	4.8
615.25830	11.0
616.26874	2.2
629.27319	0.9
647.18311	1.4
647.28619	14.9
648.28937	2.3
653.30219	1.4
659.25317	2.5
673.25385	1.5
691.27466	51.3
692.27759	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	691.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96275	1.0
57.03446	2.0
59.01382	47.9
61.98831	7.9
66.77346	1.1
69.03455	4.1
69.77483	6.2
71.01387	12.6
71.05035	2.7
72.99330	6.3
73.02945	3.1
75.00885	1.1
79.05538	1.5
81.03461	2.5
83.01369	2.3
83.05042	3.3
85.02951	21.9
87.00862	5.7
89.02433	3.3
93.03464	3.6
95.01374	1.8
95.05035	3.5
96.96016	6.7
97.02948	28.3
98.19991	2.0
99.00882	10.8
99.04533	5.9
101.02468	6.2
107.05026	2.3
107.66929	0.9
109.02943	4.0
111.04519	9.5
113.02462	4.4
115.00424	1.6
115.04015	69.7
115.92068	1.7
116.04357	1.3
116.92837	4.5
119.05038	1.3
120.99643	4.2
121.02954	8.3
121.06596	3.3
122.03741	1.3
123.04536	7.2
125.02477	5.5
127.04031	5.6
133.01472	1.1
133.06554	1.1
135.04506	1.8
137.02451	1.2
137.06070	3.8
139.04030	2.0
147.04506	2.2
149.02435	1.7
149.06073	5.1
150.03252	1.4
151.04001	3.7
161.04555	1.6
161.05974	1.6
161.09708	1.5
163.04057	1.3
165.05545	4.5
167.03455	2.7
171.08170	1.0
177.05556	1.2
179.07117	1.1
187.07742	1.1
187.11320	3.7
189.09183	1.2
193.05067	10.9
194.05763	2.1
201.11324	4.6
203.07123	2.4
205.08751	2.0
209.11830	15.3
210.12280	1.1
211.06108	4.0
215.10788	1.3
227.12859	6.4
249.11288	1.1
253.09050	1.3
265.09039	1.4
447.16495	3.3
455.16995	1.3
473.18021	10.6
475.19699	3.0
491.19232	64.4
492.19727	5.8
511.22552	1.6
553.20496	1.9
589.22955	4.3
613.26373	2.0
615.27887	1.4
633.29248	2.8
659.23444	100.0
660.23700	12.8
691.26984	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	691.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.9
59.01392	2.1
69.03400	0.4
70.47861	0.4
71.01382	2.8
71.52365	0.5
73.02948	0.7
83.01381	1.1
85.02954	10.8
87.99215	0.4
89.02443	0.9
93.03445	0.5
95.01368	1.2
96.96013	0.5
99.00930	0.5
101.02452	2.2
106.77457	0.4
108.02172	52.6
109.02969	16.7
111.00892	2.1
113.02444	1.4
119.05024	0.4
121.02982	0.7
123.00864	0.8
123.04514	0.9
129.01927	3.5
134.03712	0.9
135.04495	0.5
139.07661	0.6
143.86444	0.4
144.04556	7.3
149.06065	0.4
151.03992	1.4
152.01152	45.4
153.01945	18.1
161.04482	0.6
163.03995	1.7
165.01923	1.4
179.10886	0.5
185.69983	0.4
191.01938	1.1
191.05479	0.5
193.05032	1.3
205.03545	2.7
209.03032	4.2
223.04607	4.4
225.03989	0.4
265.09280	0.6
271.11829	1.4
315.07211	100.0
316.07501	6.9
349.11551	0.9
369.08160	2.2
371.09769	1.0
419.73444	0.4
460.68860	0.5
638.33527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00229	0.9
57.03444	0.9
59.01378	36.8
61.98831	7.8
62.74710	0.9
69.03455	3.3
71.01384	12.7
71.05022	2.5
71.54680	1.1
72.99306	6.2
73.02959	2.3
75.00883	0.9
81.03452	2.7
83.01376	2.0
83.05009	3.5
85.02951	23.1
87.00862	5.0
89.02438	3.4
92.50632	0.9
93.03448	2.7
95.01377	2.2
95.05023	4.3
96.96026	8.0
97.02948	24.7
99.00878	11.9
99.04512	5.5
99.92606	1.2
101.02444	5.7
103.04012	1.0
107.05026	1.8
109.02965	3.8
111.04510	6.9
113.02434	5.1
115.00391	1.1
115.04013	73.6
116.04358	2.0
116.92835	2.7
119.03468	1.3
119.05042	1.8
120.99657	3.5
121.02962	7.6
121.06616	3.8
123.04541	4.3
125.02448	4.6
125.06126	1.1
127.04031	3.9
133.69127	1.1
134.03755	1.5
135.04497	2.3
137.02455	1.0
137.06065	3.5
139.04045	2.2
147.04539	3.0
149.06091	5.9
151.03999	4.9
159.08124	1.3
161.04602	1.9
161.06068	1.4
161.09715	1.7
163.04102	1.0
165.05560	4.4
167.03491	2.1
169.10231	1.2
171.10307	1.4
174.01689	1.0
175.04048	1.2
177.05472	2.0
187.11201	6.5
193.05029	10.1
194.05746	1.0
198.77118	0.9
201.11340	5.0
202.11653	1.0
205.08661	1.3
205.12242	1.7
209.11794	14.9
211.06096	3.3
227.12759	5.0
229.12358	1.9
231.10309	2.0
253.09193	2.5
279.10938	1.1
281.08875	1.1
447.16577	2.9
455.17102	1.3
473.18039	11.4
475.19592	2.6
491.19205	63.2
492.19504	7.2
511.21729	1.9
571.21802	1.4
589.22827	4.3
613.26404	1.3
615.28430	1.3
617.22028	1.0
623.19598	1.0
633.29626	1.7
647.30701	1.1
659.23444	100.0
660.23676	16.6
691.27759	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	690.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.2
59.70841	0.3
60.01703	0.3
60.99306	1.0
61.98830	100.0
63.77910	0.3
70.37650	0.8
71.01387	1.2
71.05035	0.3
83.05081	0.3
85.02957	0.8
88.98811	5.9
89.02417	0.3
93.03417	0.5
95.33100	0.4
95.69504	0.3
99.00873	0.5
99.04514	2.5
101.02449	0.4
107.05040	0.5
111.04533	0.7
120.72309	0.3
121.03018	0.8
121.06627	0.4
133.06572	1.8
147.04526	3.2
149.05980	0.3
160.80399	0.3
161.09824	0.4
169.02238	0.3
173.09700	0.6
183.13974	0.3
191.69653	0.3
197.11853	0.3
200.77437	0.3
201.07886	0.3
209.11896	1.4
211.13419	0.8
293.21204	0.8
324.12302	0.4
371.18973	0.6
397.13678	0.5
409.20352	0.5
427.21002	2.3
445.22235	1.2
459.23978	0.6
469.22369	1.1
492.89767	0.4
497.24991	0.3
509.25552	0.6
517.28351	0.4
551.26917	0.9
583.29474	1.1
600.29340	0.6
627.28113	8.4
627.37518	0.6
628.16681	0.3
628.28448	1.3
647.28833	0.7
691.25336	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	690.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.4
61.98828	100.0
69.19829	1.0
69.20241	0.2
69.78680	0.1
71.01385	0.7
78.95905	0.7
83.05029	0.3
85.02978	0.2
95.31790	0.1
96.96028	0.5
99.04543	0.4
111.04545	0.3
120.17637	0.1
121.02927	0.3
129.75305	0.1
133.75722	0.1
145.06621	0.3
147.04510	3.9
152.99588	0.5
171.10239	0.3
197.76930	0.2
209.11812	1.1
210.12192	0.6
215.90343	0.1
225.11307	0.4
227.12898	0.2
468.73590	0.1
471.13669	0.2
587.26300	0.3
593.27618	0.4
631.26270	0.3
658.34393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42159	0.4
54.76716	0.5
55.01867	0.9
57.03441	2.2
59.01382	2.4
61.57682	0.4
71.01371	3.2
71.52853	0.5
73.02938	1.1
81.03436	0.6
83.01374	1.5
85.02947	14.4
89.02412	0.5
95.01374	1.0
96.96008	1.1
101.02441	2.5
108.02171	53.5
109.02967	17.1
110.03230	0.5
111.00874	4.9
111.63094	0.5
113.02424	0.8
119.05031	1.8
121.02941	1.4
123.00918	0.6
125.34020	0.5
125.64583	0.5
129.01938	6.4
133.02956	0.5
134.03735	1.5
135.04567	0.9
149.06065	1.3
151.04010	2.0
152.01147	46.9
153.01944	17.3
154.02293	0.8
163.04048	2.6
165.01897	1.5
178.02643	0.8
191.01941	0.8
191.05611	0.7
193.05040	3.8
205.03506	4.5
209.03064	2.5
223.04562	8.2
271.11877	1.6
315.07202	100.0
316.07550	6.3
317.07532	0.8
349.11197	0.7
369.08224	5.1
370.08203	0.6
371.09641	0.6
402.79303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.6
59.01369	2.9
61.98834	8.3
69.03455	7.6
69.79556	3.8
71.05029	1.5
78.95898	2.1
83.05029	1.6
97.06605	1.9
100.89533	1.0
106.74009	1.0
113.30956	1.1
116.92843	1.2
139.45891	1.0
152.99611	2.0
153.12833	1.4
154.41472	1.0
177.16414	1.8
193.15950	1.3
204.95988	1.0
207.10358	1.3
209.15515	5.5
221.15436	1.7
225.11270	2.6
235.17043	3.6
247.16913	2.1
247.17964	1.6
247.20674	35.4
248.20935	2.5
263.20105	4.7
264.87982	1.1
273.18585	12.6
291.19666	100.0
292.19934	6.7
309.20703	47.8
310.20920	3.1
339.28607	1.2
365.23239	9.0
383.24402	24.9
384.24506	2.2
453.15347	3.5
548.20496	1.3
657.43719	56.5
658.43927	9.9
689.37347	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.5
60.99308	0.5
61.90858	0.3
61.98829	44.9
62.98523	0.4
63.99258	1.9
72.27565	0.3
73.02956	1.1
73.69386	0.3
78.95911	0.5
80.96564	0.3
87.00868	1.1
88.00426	1.1
88.98803	4.4
89.02468	0.7
98.19880	0.8
102.15358	0.3
147.04501	0.7
158.60127	0.3
209.11827	0.7
277.21484	0.3
437.12131	0.4
438.13272	0.5
451.13910	0.7
452.15204	2.1
453.15128	0.8
465.16043	0.4
466.16428	0.5
471.74203	0.3
479.17404	0.4
480.14182	0.8
481.14874	5.8
482.15448	1.1
484.14310	0.5
493.15054	1.3
494.15872	1.1
495.16739	11.8
496.16995	2.8
498.17221	0.6
507.16080	0.4
508.17200	1.3
509.18091	1.3
512.13043	0.6
521.14514	0.7
523.19391	1.2
533.18042	0.5
535.16107	1.2
536.16986	2.6
537.17114	0.5
539.16235	0.6
540.16925	2.8
551.19360	32.1
552.19647	8.4
553.17993	0.9
554.19397	2.0
555.18610	0.9
568.16119	0.4
572.15424	3.1
573.15924	0.7
583.22217	0.4
586.17297	2.6
587.17694	0.6
595.18256	3.2
596.18121	0.6
627.20941	100.0
628.21185	23.6
629.21320	0.6
630.21149	4.5
690.22919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
59.01380	40.2
60.99010	1.1
60.99308	15.7
61.98833	20.6
69.03445	0.8
71.01385	4.6
78.95905	1.5
81.03464	1.5
83.01395	0.7
83.05029	6.6
85.02948	4.2
88.98808	100.0
89.02442	1.0
89.99163	1.0
93.02873	0.8
93.03459	15.7
97.02985	0.8
99.00904	0.8
99.04530	18.5
100.04841	1.0
101.02425	1.2
101.06072	1.4
103.04002	0.7
107.05042	1.7
109.02987	3.5
109.06612	1.3
111.04527	23.7
121.02971	7.3
121.06516	1.0
125.06059	2.3
133.06570	0.8
135.04547	2.2
147.04533	4.6
151.07660	0.8
153.05588	32.4
154.05980	1.2
161.06183	1.0
161.09833	0.7
163.04060	2.3
163.11272	1.5
171.10263	2.0
201.11427	0.9
207.10286	1.9
209.11839	17.0
210.12158	1.3
211.13397	12.9
213.09286	1.9
225.11305	1.6
227.12907	1.9
253.09258	1.2
291.19745	1.4
306.46939	0.8
324.93799	0.8
382.43970	0.8
387.53171	0.7
389.19708	0.8
427.21365	5.9
445.22034	1.1
469.22278	8.8
470.22742	0.9
471.24072	0.9
509.25165	0.8
511.23172	3.6
517.24365	1.5
525.24939	1.3
527.26874	3.6
528.26849	1.1
537.25128	2.8
543.26129	1.3
551.26471	0.8
553.24097	4.2
555.26031	13.1
556.25903	1.0
561.28485	1.4
569.27545	3.9
579.26245	2.1
585.26782	1.6
597.27155	12.0
598.27594	2.1
599.28723	3.8
600.29272	1.0
603.29395	2.1
611.28583	3.7
612.29364	0.8
629.29529	5.2
630.28900	0.8
645.31256	2.1
657.28265	1.1
689.29681	2.3
690.29633	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01719	1.2
61.98840	1.3
61.99736	0.3
64.42790	0.3
68.83847	0.3
70.72388	0.8
71.01382	2.1
73.02955	0.3
83.05048	0.7
84.73502	0.3
85.02961	0.9
87.00886	0.6
89.02455	0.5
96.95994	0.6
99.00881	0.3
99.04516	3.0
101.02466	0.6
109.06678	0.4
113.02451	0.4
115.03992	0.4
163.11353	0.7
167.80202	0.3
171.10243	2.4
181.12341	0.4
185.11674	0.3
196.65884	0.4
197.11844	0.4
199.13333	0.5
201.11371	1.0
207.10240	1.7
209.11810	6.4
211.09610	0.3
211.13495	0.4
225.11334	2.8
227.13029	0.8
243.12656	0.5
253.09300	0.7
301.69528	0.3
461.20154	0.5
511.26617	0.4
537.25208	1.4
555.25909	4.3
556.26929	0.9
579.26300	0.6
587.28644	6.1
588.29022	0.6
597.27063	4.6
598.27313	0.5
629.29974	1.0
653.31689	0.4
671.32190	0.5
689.33728	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	689.317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01720	1.1
61.98827	1.4
70.85939	0.8
71.01395	1.3
73.05076	0.3
73.22288	0.3
79.75701	0.3
81.75285	0.3
85.02966	0.7
95.05010	0.3
96.96033	0.7
97.06619	0.5
99.04530	2.8
101.02461	0.8
111.08215	0.4
121.02976	0.6
123.08158	0.4
155.98058	0.3
163.11319	0.7
171.10320	1.8
197.11757	0.4
199.13373	0.4
201.11383	0.8
207.10327	1.1
209.11824	5.2
210.12296	0.4
225.11380	2.0
227.12894	1.0
243.12463	0.5
276.13232	0.4
280.41223	0.4
295.15497	0.4
537.25018	1.6
555.25958	4.7
556.26532	0.9
579.25983	0.8
587.28632	4.8
587.37262	0.5
588.29193	0.5
597.26996	8.5
598.27728	1.1
629.29321	1.5
635.31219	0.4
671.32367	0.6
689.33917	2.4
690.33215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.0
57.58992	1.5
58.00583	1.6
59.01381	100.0
61.64951	1.7
61.98532	2.7
61.98831	31.1
65.03955	2.0
71.01384	25.9
73.02940	4.8
75.00876	12.8
75.06797	1.4
80.58479	1.5
81.03459	4.0
83.01374	3.9
83.05028	13.7
85.02954	15.1
86.25313	1.5
87.00903	8.5
87.04534	1.7
88.59612	1.4
88.98801	2.5
89.02438	3.6
93.03463	22.2
95.01398	2.0
95.05050	2.7
96.95987	2.0
97.02917	3.9
97.06580	2.4
98.20667	4.1
99.00896	2.1
99.04517	79.5
100.04863	5.0
101.02435	6.7
101.06091	17.1
104.50641	1.8
109.02934	4.8
109.06582	4.4
111.04531	30.1
113.02499	1.8
116.92857	3.2
121.02989	11.4
121.06575	2.7
125.06093	4.4
129.78648	1.6
133.06570	1.8
135.04509	5.3
135.08138	2.4
147.04491	4.3
147.08063	1.6
152.99597	1.7
153.05576	41.6
161.09698	2.3
163.11278	3.7
171.10309	13.8
183.13899	3.0
185.11751	2.4
197.11862	7.8
199.13211	2.1
201.11282	7.1
207.10254	10.2
209.11827	55.3
210.12143	2.9
211.13396	12.5
215.12834	2.3
216.07791	1.8
225.11298	16.3
227.12877	7.0
243.10295	3.1
253.09286	8.3
296.05569	1.7
407.19119	1.9
445.22159	2.4
461.20438	2.1
485.22089	2.2
509.25037	3.9
511.26718	2.7
517.25012	2.6
519.24414	2.1
527.26514	10.0
529.27795	2.5
537.24615	2.2
551.26947	3.4
553.23901	13.1
554.24823	2.8
555.25824	12.7
569.27557	6.7
571.29236	7.7
579.26001	5.1
585.27240	3.5
587.28540	2.9
591.29926	2.1
597.27045	17.9
598.27325	3.0
599.28668	2.3
611.28485	6.8
613.29169	3.7
629.29303	12.0
642.01007	1.8
647.30511	2.5
653.29645	3.0
657.28387	8.8
671.31909	4.6
689.32465	22.7
690.32025	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	689.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96637	1.0
59.01115	1.2
59.01381	17.2
61.98829	91.6
63.99236	1.1
71.01396	5.7
78.95908	2.6
80.96520	2.2
87.00858	0.9
89.02422	1.2
93.03483	1.2
94.98020	1.1
98.00106	1.9
98.20642	3.3
99.04519	47.1
101.06078	6.1
103.34309	1.0
109.06561	1.3
115.05486	1.5
119.05016	1.4
121.02956	100.0
122.03265	3.7
131.05000	4.1
133.06595	17.3
145.02910	3.1
147.04492	4.9
152.99541	1.9
159.08102	2.0
161.09616	1.1
171.10208	3.1
171.11679	1.1
177.05562	46.2
178.05888	1.2
191.07088	3.7
197.11812	1.0
207.10115	1.6
209.11836	7.8
211.13396	1.8
213.09206	1.6
225.00706	1.2
225.11247	2.7
227.12738	1.3
243.12430	1.1
259.09698	5.3
299.04340	4.4
307.16837	1.0
372.88550	1.1
427.21277	1.8
445.21860	1.7
461.19708	1.0
531.23816	14.9
532.23944	2.8
563.25958	1.2
577.26801	1.9
613.27954	16.4
614.28076	3.7
645.30634	22.3
646.30786	5.2
657.26147	4.7
689.20007	2.5
689.29504	48.2
690.19257	1.7
690.29858	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	689.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71172	0.7
59.01382	3.8
61.98825	2.4
73.02961	1.0
80.37878	0.7
81.03461	1.1
85.02983	1.1
98.19952	1.6
99.04520	53.5
105.07104	0.9
113.49001	0.7
118.44106	0.6
119.05053	1.2
121.02958	100.0
122.03298	3.3
131.05009	1.2
133.06612	3.5
135.04564	1.1
145.02968	3.7
147.04485	1.4
159.08167	0.9
173.09644	1.0
175.04060	0.6
177.05573	1.6
187.11267	1.4
198.06885	0.8
207.10204	0.8
209.11832	1.6
213.09227	3.1
374.89511	0.7
391.19104	1.0
427.21176	1.7
445.23087	0.9
491.24368	1.0
509.25302	0.9
513.22864	0.8
531.23792	6.8
532.24323	1.5
571.26892	1.0
595.27112	0.8
613.28064	23.4
614.28363	5.2
645.30676	22.5
646.31158	4.1
689.29596	47.4
690.29968	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	689.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42873	0.1
59.01379	100.0
60.01718	1.0
61.98829	8.1
71.01368	0.8
72.00887	0.2
78.95939	0.3
98.19930	0.3
98.51289	0.2
99.04519	0.2
121.02992	0.2
147.04498	1.6
152.99631	0.3
163.11311	0.2
171.10286	0.5
172.81496	0.1
207.10324	0.4
209.11780	1.8
225.11385	0.4
227.12865	0.4
361.73029	0.2
427.33551	0.2
452.96606	0.2
532.93048	0.2
587.26575	3.0
588.26880	0.4
644.88800	0.2
689.29816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51903	0.4
59.01377	3.0
61.98831	8.2
67.47204	0.4
71.01387	2.2
71.04176	0.4
73.02937	1.0
77.03969	0.5
78.95921	0.6
79.24809	0.5
93.03456	0.8
98.00100	2.9
99.04518	20.1
100.04829	0.6
101.02419	0.5
109.06603	0.6
111.95815	0.6
115.05507	0.6
119.05055	1.1
121.02957	100.0
122.03307	3.7
123.04516	0.5
131.05045	4.4
133.06599	15.5
134.06953	0.6
135.04543	0.7
135.08267	0.5
145.02960	1.3
146.13858	0.5
147.04501	1.9
147.08179	0.9
150.49644	0.5
158.03731	0.6
159.04483	0.6
159.08136	1.4
161.09702	0.7
163.11319	0.9
171.10295	1.1
171.75716	0.5
175.04024	0.6
177.05562	42.1
178.05904	1.7
187.11287	0.6
191.07153	3.5
199.07602	0.9
201.11302	1.1
203.07048	0.7
206.54962	0.4
207.10255	1.1
209.11827	5.1
211.13438	0.9
215.10771	0.7
225.11360	1.3
227.12912	0.9
253.09300	0.5
259.09680	6.3
409.19766	0.9
427.21246	0.8
445.22229	1.0
484.22101	0.5
491.24759	0.5
503.24210	0.8
506.80606	0.5
531.23846	27.7
532.23877	4.1
563.26392	1.2
607.26489	0.9
613.27972	10.0
613.37817	0.6
614.28174	1.9
645.30682	16.4
646.30835	2.9
657.26978	6.6
658.27411	1.1
671.31830	0.6
689.29663	36.3
690.29840	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	689.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	39.0
59.89705	0.6
60.99306	20.3
61.98831	70.4
70.89047	1.3
71.01386	5.9
73.02957	1.1
78.95890	0.8
83.01382	1.1
83.05031	1.1
85.02952	2.8
88.98808	100.0
89.02444	1.8
89.99136	1.0
93.03460	1.0
95.05016	0.7
97.06540	0.7
99.04515	7.6
101.02459	2.0
101.06087	2.4
103.04010	2.3
109.06571	1.5
111.04527	2.1
113.02459	1.0
114.41324	0.6
119.03517	0.7
121.02966	4.5
123.04494	0.8
125.06115	0.7
125.09700	0.7
133.06624	1.1
147.04494	2.1
153.05582	2.0
161.09763	1.0
163.11342	1.2
171.10286	2.5
181.12300	0.9
185.09837	0.7
185.11696	1.0
198.06845	0.9
199.07677	2.2
201.11401	1.5
207.10289	2.6
209.11813	16.6
210.12120	0.8
211.13432	8.5
213.09236	2.5
225.11357	2.5
227.12863	1.8
253.09293	1.9
289.21078	0.6
291.19717	2.2
300.03223	0.6
307.10278	0.9
397.13657	1.5
427.21164	10.9
428.21542	1.1
453.41019	0.7
459.24304	1.1
469.22250	16.5
470.22754	2.6
493.22150	1.2
501.24594	0.7
511.23126	6.1
514.47644	0.6
525.24670	1.0
527.26398	0.7
543.25964	1.1
553.24384	9.6
554.24939	1.4
555.25671	2.1
557.27557	2.4
585.27100	1.8
597.23010	4.6
599.28613	7.9
600.28809	0.8
627.28784	0.9
629.26154	1.6
657.29462	0.9
688.38470	1.2
689.18256	5.2
689.29700	2.2
689.39557	2.8
690.18872	1.0
690.30231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85890	0.5
59.01378	100.0
60.01727	0.6
61.98828	5.1
66.21900	0.5
68.92033	0.5
71.01381	14.3
71.05022	0.7
71.54291	0.6
73.02950	1.2
80.02660	0.6
81.03471	1.0
83.01372	2.6
83.05046	2.2
85.02952	4.1
87.00838	0.6
89.02441	1.9
95.05064	0.8
97.02917	0.9
97.06586	0.6
99.00898	2.4
99.04527	7.4
101.02462	3.0
107.05082	0.6
109.06570	2.3
111.04533	1.4
112.31062	0.5
113.02474	1.0
119.03523	0.5
121.02954	1.0
121.06568	0.6
125.06082	0.7
125.09711	1.2
132.51407	0.6
133.06575	2.9
135.04565	0.7
135.08206	0.7
147.04533	3.5
147.08163	1.0
149.06152	0.6
159.04477	0.6
161.09741	1.6
163.11288	3.2
165.12831	1.0
169.12427	0.5
170.07430	0.6
171.08191	0.7
171.08688	0.7
171.10263	8.0
171.11693	0.6
181.12328	2.6
183.13882	4.0
185.09653	0.6
187.11258	0.6
195.48299	0.5
197.11876	1.8
198.06860	1.5
199.07661	5.8
199.13467	2.0
201.11292	3.7
203.10803	0.7
203.20743	0.5
207.10248	6.4
208.10710	0.7
209.11821	25.5
210.12218	1.4
211.07637	0.6
211.13339	0.8
213.09189	5.0
214.09859	0.5
215.10793	0.6
215.12799	0.6
225.11310	9.5
227.12830	4.0
235.08318	1.3
237.09381	1.0
241.12444	1.0
243.12453	1.9
253.09357	2.3
295.13626	0.7
335.16742	0.8
361.18228	1.5
365.17517	0.5
379.19186	0.7
399.21872	1.2
409.20053	1.1
427.21207	22.9
428.21762	2.3
441.22876	0.6
451.21542	1.6
459.24045	2.8
461.20340	1.7
469.22290	42.1
470.22620	6.0
493.22394	1.1
501.25134	1.7
503.23181	0.6
511.23248	12.4
512.23773	2.2
525.25043	1.2
535.23529	0.8
537.25232	1.9
543.25818	3.6
553.24426	24.2
554.24951	3.4
555.25824	3.0
569.27899	0.9
579.26123	1.9
585.27087	5.5
586.26740	0.8
587.28705	2.8
597.27020	2.6
611.28235	0.8
629.26068	3.5
645.30853	0.9
653.31665	0.9
657.30524	1.0
671.32080	1.2
689.33533	17.5
690.33618	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	689.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.7
59.01381	100.0
60.01727	0.7
61.98838	4.2
67.36544	0.6
69.03498	0.7
71.01387	11.0
73.02955	1.6
75.00912	0.7
83.01393	1.6
83.05036	2.2
85.02959	2.1
87.00921	0.8
88.22095	0.6
88.98807	1.2
89.02474	1.1
95.05043	0.7
97.02957	0.9
97.06602	0.8
98.20770	1.0
99.00908	1.6
99.04527	3.8
101.02451	2.4
107.05071	0.9
109.06601	1.4
109.79326	0.6
113.02429	1.0
121.02935	1.0
125.09739	0.8
133.06624	2.3
135.08150	0.7
144.28119	0.7
147.04529	3.7
147.08192	1.2
148.04843	0.8
161.04568	0.9
161.09727	1.4
163.11246	2.8
165.12837	1.3
170.07388	0.6
171.08194	1.3
171.10278	7.4
181.12384	1.6
183.13933	2.0
197.11894	1.7
198.06908	1.8
199.07658	4.8
199.13399	1.5
201.11285	3.0
207.10289	5.8
209.11815	21.0
210.12187	1.2
213.09178	5.7
225.11339	8.8
227.12895	3.2
237.09277	1.2
241.12192	0.7
243.12291	1.3
253.09363	2.7
295.13373	0.7
335.16580	1.4
361.18216	1.1
383.18863	0.7
399.21954	1.5
409.20447	1.1
427.21243	24.0
428.21805	2.5
441.22891	0.8
451.21249	2.8
459.24026	2.5
461.20337	1.0
469.22293	41.6
470.22739	5.3
483.24210	0.8
493.22098	1.1
501.25272	2.0
511.23285	14.9
512.24255	1.8
525.24969	1.4
535.23413	0.8
537.24896	1.4
543.26050	2.9
544.26160	0.6
553.24402	28.0
554.24567	3.7
555.26331	2.0
585.26843	5.9
587.29102	2.0
593.81281	0.7
597.27283	1.9
629.26514	2.3
635.31543	0.9
671.32043	0.9
689.33826	10.6
690.34454	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76239	0.4
57.03448	1.3
59.01381	2.2
67.54742	0.4
68.43162	0.4
69.53912	2.5
71.01381	13.9
83.01350	0.4
85.02962	1.4
87.80051	0.3
89.03978	0.9
96.96021	1.4
99.04534	1.2
101.02456	1.2
109.02991	0.5
113.02460	0.5
115.00371	4.9
117.03458	4.2
121.02927	0.4
125.02473	1.0
129.01953	2.1
134.03735	48.7
135.04037	1.9
137.00217	0.4
137.02415	1.7
139.03949	0.4
143.16013	0.3
147.02989	4.3
149.06068	5.3
163.79109	0.4
175.04018	0.4
178.02689	5.1
179.03360	1.3
181.15736	0.4
193.05042	100.0
194.05391	4.6
227.11214	0.4
231.26205	0.4
235.11841	0.7
289.07172	0.5
309.06223	4.4
309.13687	0.8
379.15997	1.2
447.64465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42697	0.1
59.01379	0.6
61.98831	100.0
62.98548	0.1
69.44290	0.1
98.19941	0.3
106.33160	0.1
147.04584	0.3
158.36272	0.1
263.86047	0.2
383.64825	0.1
453.15274	0.2
482.15753	0.2
496.17294	0.5
497.17130	0.3
552.19513	1.8
553.19861	0.5
596.18787	0.3
627.21008	0.2
628.21216	4.5
629.21185	1.4
688.23486	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18863	0.1
59.01381	2.0
61.98829	100.0
62.98536	0.3
68.77565	0.1
71.01408	0.1
76.45007	0.1
78.95921	0.4
92.36008	0.1
99.04532	0.3
107.09102	0.1
107.20592	0.1
147.00977	0.1
155.96455	0.2
171.10365	0.2
209.11778	0.8
210.12361	0.3
290.10703	0.1
311.22327	0.2
312.22614	0.2
656.78961	0.1
671.34314	0.1
688.19348	0.3
689.18591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.1
59.22057	0.1
60.01710	0.4
61.98830	100.0
62.98531	0.2
70.52973	0.3
71.01386	0.3
72.55805	0.1
74.42210	0.1
78.95927	0.3
83.05093	0.1
83.18787	0.1
95.04951	0.1
99.04533	0.2
119.05034	0.1
121.02969	0.2
147.04521	3.5
148.04854	1.1
152.99573	0.2
171.10291	0.2
204.36079	0.1
207.10294	0.2
209.11868	0.5
211.13475	0.2
219.41190	0.1
220.13675	0.1
224.10466	0.1
225.11340	0.1
227.12842	0.1
268.39255	0.1
280.51608	0.1
399.37381	0.1
568.63391	0.1
657.34613	0.1
688.28436	1.3
689.36877	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	689.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.4
59.01378	4.1
70.31023	0.6
71.01368	0.4
85.02955	8.8
89.02477	0.7
91.79806	0.3
96.96012	1.5
98.20078	0.5
98.20583	0.4
99.04518	5.6
101.02438	8.7
103.04004	6.6
110.86946	0.4
110.91048	0.3
114.83766	0.3
125.02419	2.1
128.03551	0.3
129.01944	55.1
130.02293	1.3
133.02988	1.1
135.04561	2.4
135.52541	0.3
143.03494	0.5
147.02994	100.0
148.03365	2.1
155.10750	1.4
161.02443	2.0
179.03494	4.7
199.09732	1.1
235.11874	1.0
277.12869	1.3
301.03592	0.7
303.09018	1.0
303.18039	0.6
309.06177	8.9
310.06461	0.4
322.20941	0.3
379.08170	0.4
379.16068	6.3
380.16406	0.9
391.66138	0.3
409.97458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46928	0.7
55.01866	0.8
57.03440	1.9
58.00582	3.6
59.01379	100.0
60.01718	1.0
61.98831	10.5
64.90466	0.6
67.59675	0.6
69.03461	1.0
70.75222	1.1
70.75558	1.4
71.01381	60.9
72.01713	0.9
72.99306	6.0
73.02952	11.8
75.00880	1.1
83.01386	5.4
85.02943	13.8
87.00876	4.8
88.98807	2.3
89.02445	63.9
90.02779	1.2
95.01386	5.1
96.96001	1.6
97.02950	1.5
99.04517	7.6
101.02441	39.7
102.02811	0.8
103.04051	1.2
111.00988	0.7
113.02449	32.3
114.02859	1.1
119.03500	27.4
121.02967	1.9
125.02465	2.3
131.03506	5.4
134.73506	0.7
135.04550	1.0
135.08224	0.9
136.05334	1.7
143.03500	9.6
144.03824	0.8
146.03773	1.1
149.02451	1.0
149.04562	6.8
150.06900	2.2
150.93344	0.6
151.07690	1.1
161.04547	14.5
161.05888	0.8
163.04041	1.1
163.07632	1.0
164.04784	1.3
174.26860	0.8
179.05603	19.7
179.10722	1.0
191.91089	0.6
203.05669	0.8
207.67447	0.6
209.11900	1.4
216.10239	0.7
221.06691	2.5
265.09631	0.7
267.11469	0.9
273.12466	3.4
311.10361	1.4
421.01102	0.7
497.25830	1.2
506.32178	0.8
525.33990	1.3
533.27545	1.5
575.28845	3.1
583.31403	2.3
601.32648	5.1
611.22003	3.0
612.21667	0.9
624.14471	1.3
625.26746	2.7
643.27124	2.8
643.35413	2.0
644.35437	1.0
655.20642	2.1
687.25311	1.2
687.30292	2.0
687.40424	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	687.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55490	0.7
52.85763	0.8
54.16808	0.8
56.07129	0.8
58.09459	0.7
59.01380	58.8
61.98830	30.4
63.17580	0.8
71.01381	1.0
78.95903	2.1
83.05026	1.1
99.04521	100.0
100.04868	1.6
101.06077	1.9
129.07150	0.9
144.47388	0.9
168.69872	0.9
171.10268	2.7
202.34735	0.8
207.10191	1.7
209.11862	7.2
223.09653	1.7
227.12878	1.5
253.09633	1.2
285.14493	0.9
369.05707	0.8
377.21552	1.3
443.24365	11.1
461.25372	6.0
485.25208	2.7
503.26392	3.4
525.28546	36.1
526.28973	5.0
543.29706	6.1
546.63013	0.9
567.29559	3.6
585.30664	28.4
586.31299	5.0
627.32159	4.5
687.31879	3.6
703.17871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.73008	0.6
61.98832	9.6
68.99798	0.7
69.03459	1.0
71.01385	2.2
75.00871	1.7
78.15736	0.6
78.89824	0.6
78.95937	0.6
79.05532	0.8
81.03432	0.8
83.05028	1.6
85.02964	1.9
95.04992	0.7
97.06636	0.8
98.20287	4.7
99.04523	31.4
100.04845	0.9
101.06082	14.5
103.05524	1.0
105.07182	0.8
109.06615	1.2
111.04578	0.7
121.02988	2.8
121.06634	0.8
125.06127	1.1
131.05051	1.5
133.06636	3.3
135.04587	1.1
147.04539	0.9
147.08130	1.2
147.68633	0.6
148.53456	0.6
159.08156	1.6
161.09772	1.8
170.07431	0.8
171.08171	1.4
171.10326	1.1
172.09023	0.7
173.09718	1.1
185.09792	1.1
187.11349	2.8
198.06845	1.5
199.07655	7.9
200.08365	0.8
207.10281	0.7
209.11792	1.5
212.08398	0.8
213.09187	4.3
214.09846	0.8
215.10759	3.2
241.12686	0.8
243.13982	1.4
244.07384	0.7
269.15588	1.2
277.74020	0.7
281.11792	1.6
285.15167	1.2
295.13431	1.7
335.16650	1.0
361.18140	1.0
366.90033	0.7
379.19006	0.7
407.18820	1.0
409.15588	0.8
409.20511	2.5
425.20038	0.9
427.21231	13.5
428.21829	2.0
459.24100	1.4
469.22882	0.8
481.25928	6.1
491.24506	2.2
492.24133	0.7
509.25427	76.7
510.25784	10.1
523.27313	1.6
527.26709	2.1
541.28070	14.2
541.35583	1.2
542.28656	1.9
551.26483	38.7
552.26788	5.8
553.24609	1.3
559.25806	2.5
583.29041	6.1
584.30017	1.3
595.27753	2.0
611.31836	1.2
627.28094	5.1
629.33569	1.2
643.32111	2.5
655.28436	2.1
687.30096	10.2
688.31122	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	687.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01714	1.1
60.19321	0.5
61.98833	13.9
63.37870	0.5
69.03481	0.6
69.08514	0.5
69.95515	0.5
71.01388	2.9
71.05003	0.7
71.52882	0.7
73.02945	1.0
78.95879	1.4
79.05537	0.8
81.03455	1.1
83.01395	0.6
83.05034	1.8
83.93658	0.6
85.02970	1.7
87.00896	0.7
95.05040	1.1
97.02962	1.4
97.06606	1.9
98.00125	0.7
99.04520	57.1
100.04860	4.5
101.02465	1.5
101.04989	0.7
101.06078	5.4
105.07159	0.6
107.05023	1.9
109.06607	2.1
111.04514	1.2
121.02957	3.8
123.04486	0.6
123.08200	0.6
124.45557	0.7
125.06129	2.2
131.04999	1.0
131.08611	0.7
133.06630	2.2
135.04538	1.7
135.08197	0.8
136.05305	0.6
137.06093	1.4
137.09671	0.6
143.08618	0.6
147.04543	1.7
147.08202	1.7
147.75970	0.5
157.06564	0.7
159.08173	1.2
159.10353	0.9
161.09689	2.9
163.11316	0.7
171.08174	0.6
171.10329	1.9
172.08987	0.6
173.09756	0.8
187.11279	5.4
189.12944	1.1
197.09845	0.7
197.11835	0.7
198.06871	0.7
199.07619	3.0
207.10303	1.5
209.11816	4.7
211.07716	0.7
211.13422	1.5
212.08595	0.5
213.09215	2.9
214.09901	0.7
215.10725	1.5
215.14502	0.7
223.09784	1.0
225.11397	1.7
227.12874	0.7
243.14000	1.4
253.09331	1.0
269.15540	1.1
309.20898	0.7
351.29001	0.5
353.17847	0.7
365.17651	0.6
372.92004	0.5
373.20322	0.7
409.20270	2.2
425.23834	0.6
427.21259	6.9
439.20871	0.6
451.21417	0.8
455.24664	1.4
459.24042	0.6
461.20889	0.6
465.26880	0.9
467.20584	0.9
468.21741	0.6
469.21994	3.4
471.20572	0.8
481.25955	2.9
482.26688	0.6
491.25003	1.6
494.23145	0.7
497.25391	0.7
509.25418	22.2
510.26004	4.0
513.21594	1.9
525.24457	1.3
527.23157	0.8
541.28088	4.9
551.26373	9.6
552.27515	1.5
553.24438	31.0
554.24780	5.5
567.26184	1.2
568.26495	0.7
569.27277	1.9
571.25696	0.8
583.28900	0.6
585.27155	6.6
586.27185	1.2
595.25433	45.5
596.25739	6.8
601.29449	1.7
611.31946	2.2
613.26459	2.7
614.26660	0.6
627.27844	5.5
628.27838	0.8
643.32581	0.9
645.29456	2.4
655.27509	0.8
687.29584	8.1
688.30286	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	55.9
61.98826	13.8
63.59681	1.3
65.21310	1.5
71.01384	3.7
73.33058	1.2
79.05544	1.8
81.03471	1.3
82.65726	1.3
83.05019	2.5
85.02934	2.8
95.05035	1.9
97.02956	1.9
97.06584	1.5
99.00872	2.0
99.04520	100.0
100.04845	3.4
101.02457	1.7
101.06067	2.1
107.05055	1.8
109.06649	2.3
111.04517	2.6
115.03994	1.4
121.02940	10.1
133.06584	4.5
137.06094	2.8
137.69199	1.4
139.04018	3.7
159.08127	2.6
161.09666	3.0
171.10356	2.4
173.09671	1.7
185.09767	2.7
187.11305	1.7
199.07690	2.4
209.11790	3.7
211.13350	2.0
213.09128	3.5
225.11438	1.3
229.20067	1.6
252.58012	1.5
295.15555	1.8
328.59961	1.5
401.23206	4.6
409.20120	1.5
427.21140	10.9
427.71033	1.4
445.22296	6.9
469.22733	1.6
473.25488	2.4
474.25153	1.5
483.27536	5.1
509.25449	17.9
510.25858	2.9
511.23471	2.6
527.26483	55.0
528.26978	9.0
529.24731	1.7
551.26758	7.3
552.26501	2.0
569.27509	81.4
570.27826	12.0
593.27179	9.4
603.27612	2.0
611.28583	38.7
612.28674	7.3
613.26636	3.1
624.28229	1.8
627.30847	1.6
637.27026	5.1
645.29443	3.4
649.30688	2.2
655.27515	16.6
656.27057	2.1
669.32452	2.1
687.30048	27.4
688.30389	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	687.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	1.1
59.01378	20.3
61.98856	0.8
71.01368	1.3
71.53125	1.6
83.05002	1.0
85.13371	0.8
89.90718	0.9
90.98392	0.9
97.06583	0.9
99.04518	100.0
100.04845	2.3
111.16573	0.8
118.88775	0.9
119.49902	0.9
133.06581	3.9
135.08182	1.1
147.08122	1.3
159.08112	1.6
161.09715	2.0
173.09718	1.4
185.09671	1.3
187.11276	2.0
189.12749	0.9
189.99721	0.9
199.07620	3.8
212.08424	0.9
213.09181	2.7
213.57013	0.9
214.09874	1.2
215.10789	1.2
220.46701	0.8
309.18759	1.0
358.61322	0.8
365.17358	1.0
380.34488	0.9
401.23178	2.6
409.19904	2.0
427.21204	10.3
428.21506	1.1
445.22058	1.8
446.22614	1.0
469.21985	1.4
483.27399	3.2
509.25418	18.0
510.25842	2.0
511.23444	2.8
525.24811	1.4
527.26495	60.7
528.26941	8.5
551.26581	3.5
569.27490	19.2
570.27771	3.9
587.24963	1.6
593.27686	8.3
611.28510	11.2
612.28851	2.3
613.26685	2.1
625.30359	1.4
655.27606	12.7
656.27783	3.2
687.30170	35.9
688.31055	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	687.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03456	0.8
58.00608	0.6
59.01380	76.3
61.98834	9.9
66.39446	0.5
69.03460	1.0
69.32269	3.9
71.01385	3.2
73.02938	1.0
81.03479	0.9
83.01409	1.0
83.05038	2.2
83.50907	0.5
85.02981	2.4
87.00903	0.7
88.98799	0.6
89.02435	0.9
93.03472	0.7
93.07106	0.6
95.05035	1.8
97.02966	1.2
97.06603	2.5
98.00114	1.5
99.00921	0.8
99.04523	46.8
100.04859	1.7
101.02439	0.8
105.07122	0.6
106.98953	0.5
107.05032	1.3
109.06606	3.2
111.04527	1.5
119.08574	0.6
121.02966	1.9
121.06607	0.9
123.08167	0.8
125.06093	2.5
127.03999	1.1
129.07089	0.6
130.04251	0.6
132.05772	1.0
133.06610	1.8
133.10210	1.3
135.04556	1.4
136.05313	1.6
137.06100	2.2
139.04012	2.8
145.06610	1.1
147.04495	0.8
147.08191	1.8
157.06531	0.8
159.08182	1.0
159.11778	1.1
161.09744	4.3
163.11269	1.0
171.08176	1.2
171.10272	2.7
172.08971	1.1
173.06094	0.6
173.09708	1.0
181.95192	0.6
183.08057	0.9
183.13852	1.3
185.09735	1.8
187.11278	6.0
189.12827	1.0
197.09879	0.7
197.11852	1.0
198.06848	1.6
199.07643	2.4
200.08350	0.7
201.11336	1.6
205.08598	0.8
205.12354	0.6
207.10245	1.6
209.11845	6.2
211.13150	0.7
213.09230	2.4
214.09990	0.9
215.10818	1.7
215.14421	0.8
223.09766	1.4
223.13379	4.7
225.11264	1.4
225.16512	0.8
227.12827	1.1
243.13966	1.0
253.09303	1.1
254.12932	0.6
269.15457	2.2
273.11273	0.7
277.12241	0.5
281.11893	0.9
295.13354	0.6
337.17950	0.7
365.17093	0.7
373.20401	2.2
409.20129	1.7
415.21002	0.9
427.21158	7.0
428.21591	0.7
451.21143	1.2
455.24493	3.3
465.26706	1.1
469.22528	3.6
473.25488	2.5
481.26004	0.8
491.24271	1.3
495.20840	1.0
497.25446	2.8
509.25427	15.0
510.25858	2.4
513.21417	4.5
514.21228	0.7
515.26569	2.2
527.26392	1.9
539.26764	0.7
541.27924	2.2
551.26465	9.6
552.26660	2.3
553.24426	12.6
554.24664	2.3
557.27319	1.0
567.26447	1.8
569.27216	2.9
585.27429	2.2
595.25458	100.0
596.25781	19.7
611.28101	2.9
613.26422	3.6
627.28119	13.1
628.28162	2.0
645.29199	1.6
655.28015	2.3
667.36255	0.7
669.29944	1.7
687.31830	9.2
688.32251	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	72.5
61.98814	6.8
65.03968	1.8
67.01876	2.4
69.03455	10.9
71.01372	3.6
79.05523	2.1
81.03451	3.1
83.05016	9.4
85.02908	1.9
93.03452	11.6
95.05020	3.0
97.02905	2.0
97.06589	14.6
99.04520	100.0
100.04885	2.4
107.05057	2.3
111.04511	2.0
121.02927	4.9
121.06560	2.2
125.06033	5.0
127.04017	4.8
131.08728	1.9
133.06548	1.9
135.04443	3.8
139.03989	3.3
150.06874	12.7
156.99593	1.7
161.09688	4.2
187.11255	3.5
198.50179	1.8
199.07626	4.8
205.12305	1.9
213.09171	3.9
215.10628	3.2
225.89421	1.6
231.10231	1.5
243.13756	2.2
250.85655	1.7
286.90619	1.7
292.11057	1.5
309.17111	4.2
328.43515	1.8
336.20148	1.7
409.20016	1.8
417.23257	2.8
427.21283	8.8
435.19824	1.8
445.22083	6.0
459.23785	2.3
465.26572	2.0
469.21802	2.3
473.25635	11.4
481.26212	2.9
483.28174	1.9
509.25290	32.7
510.25632	5.8
511.22964	2.1
513.21198	5.0
515.26471	3.0
517.24329	3.9
527.26508	26.3
528.26758	3.3
529.24396	6.5
541.28192	8.8
545.23724	2.3
551.26532	16.3
552.26166	1.8
559.28931	5.2
561.26953	2.4
569.27527	16.2
570.27716	2.7
571.24908	3.0
593.27820	2.4
601.30145	3.9
611.28638	43.5
612.28851	8.7
613.26501	7.2
627.28345	3.8
643.30707	4.1
645.29108	19.5
646.29279	3.2
655.27612	9.6
669.28693	2.5
687.30151	90.3
688.30597	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	686.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98830	100.0
62.98543	0.2
62.99254	0.1
63.15621	0.1
68.98492	0.1
71.01405	0.1
71.01896	0.1
78.95939	0.1
91.79607	0.1
94.73003	0.1
99.04529	0.3
101.06081	0.1
121.02960	0.7
168.09010	0.1
171.10257	0.2
209.11885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20792	0.2
57.63823	0.2
59.01387	2.8
61.98830	100.0
63.83101	0.2
71.01405	0.2
71.28589	0.2
71.53540	0.3
77.69483	0.2
78.95918	0.4
85.70568	0.2
101.38654	0.2
107.44549	0.2
139.28868	0.2
147.04533	2.6
171.10245	0.5
204.88448	0.3
206.16527	0.2
209.11877	1.6
225.11456	0.3
260.44592	0.2
588.29382	0.2
593.24615	0.4
626.35748	0.4
687.29486	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73571	1.5
58.06873	1.7
59.01381	60.2
61.98819	3.9
69.61523	7.4
71.01381	18.2
71.85094	1.3
75.00867	4.5
75.43951	1.4
79.05544	1.6
85.02934	1.9
88.54734	1.6
97.04935	1.7
98.19957	3.4
99.04520	100.0
100.04829	3.0
102.00802	1.4
107.05000	2.7
109.06544	1.5
115.00343	2.5
117.78007	1.5
121.06593	2.2
127.97804	1.5
135.04469	2.8
137.06004	1.8
147.04562	2.4
147.08142	3.3
159.08194	2.1
161.09712	2.5
171.08205	3.0
173.09679	2.2
187.11206	1.9
199.07559	6.3
201.05261	1.9
209.11798	1.9
213.09122	2.0
287.16385	1.9
298.91125	1.7
299.10776	1.5
373.20279	4.6
401.23026	2.6
413.19766	2.9
427.21112	5.5
445.22421	7.0
455.24539	7.2
469.22577	1.9
473.25317	3.0
483.27814	3.3
495.23663	5.0
497.21811	2.4
509.25519	10.8
513.24841	6.0
515.26288	2.4
525.24561	2.0
527.26697	18.0
528.27002	3.2
529.25043	1.7
537.24078	1.9
539.26642	14.9
542.36304	1.7
551.26300	3.9
567.29163	2.0
569.27606	66.9
570.27911	11.9
573.22913	2.0
575.25812	2.4
579.25751	3.3
593.27704	6.1
595.25470	4.7
596.25800	2.2
597.26941	22.7
598.27185	2.2
611.28650	27.6
612.28796	5.7
613.26227	2.3
627.28076	17.7
628.28918	3.9
629.29492	3.1
637.26379	25.6
638.26752	5.6
655.27643	18.9
669.29150	62.9
670.29346	14.0
687.30200	53.8
688.30365	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	686.282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60765	0.1
59.01379	1.8
60.01724	0.2
61.01788	0.1
61.98830	100.0
62.98542	0.2
65.15891	0.1
69.19853	0.7
85.02972	0.1
99.04522	1.2
101.06065	0.2
109.65305	0.1
121.02962	1.9
122.03320	0.1
171.10301	0.1
209.11766	0.1
255.26273	0.1
281.64532	0.1
325.86539	0.1
474.34821	0.1
563.26495	1.5
567.33655	0.1
568.34033	0.3
587.35986	0.1
629.36987	0.6
654.27911	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	686.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21270	1.1
57.03433	1.8
58.00584	1.5
59.01379	31.5
61.98814	3.2
63.24537	1.0
64.13130	1.0
71.01377	21.4
72.99309	1.5
73.02946	1.2
83.01373	1.2
85.02948	8.2
87.00868	2.2
89.02443	18.2
95.01359	1.5
96.95985	1.3
99.00893	1.3
101.02440	12.7
106.06622	2.8
113.02449	8.4
119.03502	6.2
122.06126	6.6
132.04562	7.9
134.06120	25.6
135.06410	1.3
139.54643	1.0
144.04620	1.3
145.54677	0.9
147.03033	1.4
150.05577	4.3
152.07193	7.0
156.90031	1.2
157.10204	4.8
158.02440	3.5
160.04025	4.3
162.05603	1.4
172.03888	1.3
173.54132	1.1
174.05544	1.7
176.03561	2.0
176.07159	1.2
179.07127	1.2
189.09158	3.9
190.05086	12.7
191.01884	1.8
192.06638	2.2
206.35643	1.0
209.02922	1.3
209.11781	1.6
211.12372	1.6
215.11827	3.4
217.66980	1.1
223.08890	1.8
224.09418	3.4
236.09326	1.2
239.11913	16.8
240.10207	3.2
240.12384	1.2
241.09822	2.5
249.06705	1.1
251.11787	2.5
252.10352	1.2
253.06088	5.8
255.07756	1.4
255.11423	2.1
263.08234	2.0
265.09512	1.5
267.07684	3.5
268.08524	4.2
279.07791	1.9
279.11038	1.4
280.08401	2.5
281.09424	1.8
283.10855	54.8
284.11154	4.2
291.07693	3.8
295.10931	13.5
296.11252	2.1
305.09323	3.1
306.10144	3.1
307.10706	2.4
309.08765	1.7
309.12115	1.3
314.12521	3.1
315.13419	1.5
323.10245	2.8
337.11929	1.5
338.12515	1.5
386.18753	2.3
402.18250	2.7
405.21161	2.4
430.17441	4.8
464.20056	1.8
528.70313	1.5
610.23889	18.0
611.24298	3.8
642.26917	1.7
654.23022	100.0
655.23364	19.6
686.25580	97.2
687.25775	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	686.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	22.9
60.49209	0.7
61.98816	1.3
71.01396	11.7
71.01792	1.9
72.99289	1.2
73.02931	1.5
85.02948	5.0
89.02439	10.2
96.96003	1.1
98.20686	0.9
99.30051	0.8
101.02439	11.0
106.06609	2.1
110.13210	0.9
113.02459	4.1
119.03491	4.5
119.04992	1.2
122.06125	4.6
125.02383	0.9
129.01939	5.9
132.04539	4.4
134.06120	16.6
135.06421	1.1
147.03015	6.5
150.05577	2.9
152.07175	5.4
158.02481	1.9
160.04021	2.9
162.05656	1.9
169.14909	0.9
174.05586	1.6
176.03502	0.8
176.06985	0.9
190.05121	4.9
192.06578	1.1
209.11800	1.6
215.11876	1.5
223.08644	1.6
224.09488	2.9
239.11909	13.3
240.10217	2.6
240.12355	0.9
241.09808	2.5
246.99298	0.9
251.11789	2.9
253.06119	4.3
253.09981	1.1
255.07695	1.3
255.11359	1.3
263.08438	0.8
265.09793	1.4
267.07663	3.4
268.08389	3.5
277.06393	1.0
277.09772	1.4
280.08511	2.7
281.09183	1.2
283.10870	39.5
284.11108	3.0
291.07706	3.0
292.08313	1.1
295.10883	9.9
304.87573	0.8
305.09402	2.4
306.10098	2.4
307.10724	1.5
309.08865	1.2
314.12369	1.1
323.10434	1.1
337.11697	1.0
386.18604	1.2
402.18335	1.4
430.17670	2.9
447.11026	0.8
534.30957	0.8
610.23981	19.2
611.24420	2.5
654.23022	100.0
655.23297	19.1
686.25610	47.4
687.15387	0.9
687.25922	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.3
59.11824	0.5
61.98831	100.0
70.22112	1.2
71.01389	1.8
73.02979	0.6
85.02956	1.3
87.00858	0.5
89.02444	1.5
89.62298	0.5
90.02769	0.6
90.20226	0.5
96.96020	2.3
101.02446	1.6
104.57684	0.5
113.02467	1.4
119.03507	0.5
122.06158	1.1
125.02437	0.7
134.06143	2.3
137.02505	0.6
151.00359	1.0
160.57198	0.6
169.15616	0.5
175.02516	0.5
190.05057	0.6
227.03453	1.1
239.12047	0.8
243.03012	2.5
255.02969	4.7
271.02466	19.2
272.02963	1.6
283.10892	4.4
291.12524	2.3
295.10806	1.1
298.98605	1.0
299.01968	15.4
300.02737	49.1
301.03113	2.7
309.08762	0.5
314.04291	4.4
315.05103	30.4
316.05502	1.7
610.24036	0.9
623.16132	61.3
624.16541	8.4
654.23059	3.0
685.23853	0.8
685.40515	0.6
686.25452	16.3
687.25653	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00475	0.2
59.01379	100.0
60.01714	1.1
60.17782	0.2
61.98833	2.4
70.27108	0.7
78.95925	0.2
99.04552	0.2
112.83542	0.2
117.27292	0.2
121.02945	2.1
124.31965	0.2
139.46683	0.2
165.86322	0.2
250.94658	0.2
701.08380	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33776	0.4
57.03445	1.4
58.58701	0.4
59.01381	5.3
61.98832	8.8
66.94225	0.4
69.16505	2.6
69.16931	1.6
71.01389	1.9
73.02945	1.0
85.02972	2.1
87.00880	1.6
87.04505	0.5
88.98830	0.5
89.02453	1.4
96.96011	1.4
99.04562	0.7
101.02454	1.0
103.52592	0.4
111.08143	0.7
113.02422	0.9
115.00387	0.4
116.57417	0.4
121.02962	1.5
123.08165	0.8
127.11289	0.5
135.04546	0.7
135.08121	0.5
136.05338	0.5
137.06128	0.7
137.09726	0.9
137.55167	0.4
147.04509	1.3
149.06137	0.5
150.06870	17.4
151.07358	0.6
155.10803	0.8
157.53900	0.4
162.06784	0.5
163.07664	7.7
163.11188	0.4
164.08443	3.4
169.12317	1.2
171.10268	1.1
174.01604	0.5
176.08345	0.7
177.09129	0.9
178.09995	0.6
179.10770	9.8
180.11086	0.4
184.11037	0.7
201.11177	0.7
209.15648	0.4
215.12869	1.0
234.86926	0.4
250.40347	0.4
257.13928	0.9
299.18607	0.9
306.18442	0.7
307.19006	0.6
321.20703	1.1
341.23239	2.3
343.21228	4.2
460.32224	0.5
462.29810	1.3
476.31363	1.6
477.32205	4.6
504.30954	2.8
505.31381	2.0
522.31927	7.3
523.20642	0.7
523.32764	17.7
524.33240	2.1
598.50916	0.5
685.38062	100.0
686.38550	13.0
703.79224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.4
59.01390	1.8
61.70246	0.4
61.98832	2.6
69.15865	3.4
71.01369	0.5
80.63011	0.4
85.02932	1.1
87.00857	0.9
89.02435	0.6
97.06567	0.5
98.19891	0.8
99.04510	0.6
111.08170	0.6
113.06135	0.4
121.02940	0.8
127.11276	0.5
135.08104	0.4
136.05310	0.6
137.09695	0.6
137.40033	0.4
147.04503	0.7
149.06053	0.9
150.06859	30.1
151.07285	0.8
155.10748	0.5
158.13116	0.4
161.09654	0.8
162.06831	0.5
163.07637	5.7
164.08418	6.3
165.08911	0.4
171.10272	0.4
178.09990	1.3
179.10773	15.4
180.11180	0.6
184.11081	0.5
257.13828	0.7
278.18741	0.4
306.18365	1.9
321.20679	1.2
341.23288	1.0
343.21198	4.3
344.21475	0.5
350.20874	0.8
445.66116	0.4
454.64554	0.4
459.31232	0.5
462.29782	2.3
463.95203	0.3
476.31598	0.4
477.32187	7.2
478.32639	0.6
504.30988	0.7
505.31577	2.2
522.31860	2.7
523.32745	25.5
524.32922	3.0
579.98175	0.4
685.38025	100.0
686.38440	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	685.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31255	0.3
59.01378	100.0
60.01718	0.9
61.98828	35.9
62.98519	0.4
73.96410	0.4
81.03468	0.4
85.02959	0.4
98.19928	0.9
98.20612	1.4
99.01852	0.4
99.04520	8.7
105.22128	0.3
135.08105	0.4
181.08707	4.7
192.90312	0.4
323.16595	0.6
372.29721	0.4
439.21240	2.9
440.21829	0.6
447.22037	0.7
465.23050	0.9
491.82788	0.4
539.26666	0.6
572.36340	0.4
583.29010	6.6
584.29810	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01105	0.5
59.01381	5.3
61.98832	5.2
62.19077	0.3
67.66669	0.3
70.68472	0.8
71.01382	1.2
73.02936	0.8
83.01369	0.4
83.04977	0.3
85.02945	1.6
87.00889	1.7
87.35867	0.3
89.02448	0.7
96.95998	0.6
98.20299	0.3
99.04522	1.4
101.02451	0.7
111.04448	0.4
111.08151	0.9
113.02443	0.6
121.02961	0.6
123.08154	0.6
127.11296	0.6
135.08168	0.6
137.05988	0.3
137.09676	0.9
148.05269	0.4
149.06064	1.1
150.06854	22.5
151.07260	0.6
155.10773	1.0
161.09792	0.3
162.06863	0.5
163.07645	6.8
164.08434	3.7
165.09143	0.5
171.10234	0.7
172.16441	0.3
175.07832	0.3
176.08417	0.6
177.09293	0.4
178.09998	1.0
179.10759	11.7
180.11102	0.5
184.10938	0.4
185.12082	0.3
201.11263	0.4
202.99690	0.3
203.09496	0.3
257.13910	1.1
299.18607	0.5
306.18427	0.9
320.19800	0.4
321.20642	0.6
341.23175	2.2
343.21216	3.6
350.21008	0.4
444.28439	0.3
460.31735	0.5
461.32605	0.4
462.11279	0.3
462.29776	1.0
476.31311	1.7
477.32172	5.2
478.32510	0.4
493.31915	0.3
504.30948	2.3
505.31909	1.8
507.33527	0.3
522.32007	6.5
523.32721	19.3
524.32990	2.2
623.30194	0.5
626.29443	1.1
685.38049	100.0
686.38544	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	685.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98240	0.1
59.01379	100.0
60.01718	0.9
61.98824	0.8
70.06019	0.6
83.05032	0.7
85.03011	0.2
96.26041	0.1
96.73831	0.1
98.19950	0.2
99.04518	8.8
100.04881	0.2
101.52998	0.1
109.06573	0.2
109.47684	0.1
110.84147	0.1
121.02952	1.6
141.05626	0.2
147.04546	0.3
161.78072	0.1
194.72173	0.1
264.46344	0.1
335.18790	0.1
415.21564	0.2
423.21811	0.3
437.23526	0.2
439.21661	0.2
465.22864	0.3
474.43536	0.1
505.25897	0.2
539.26520	1.8
539.34320	0.2
540.27399	0.3
557.27557	0.2
565.28235	1.4
566.28442	0.2
583.29272	1.9
584.29700	0.2
603.25677	0.2
685.29645	0.3
686.31506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31255	0.3
59.01378	100.0
60.01718	0.9
61.98828	35.9
62.98519	0.4
73.96410	0.4
81.03468	0.4
85.02959	0.4
98.19928	0.9
98.20612	1.4
99.01852	0.4
99.04520	8.7
105.22128	0.3
135.08105	0.4
181.08707	4.7
192.90312	0.4
323.16595	0.6
372.29721	0.4
439.21240	2.9
440.21829	0.6
447.22037	0.7
465.23050	0.9
491.82788	0.4
539.26666	0.6
572.36340	0.4
583.29010	6.6
584.29810	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01714	0.9
61.98836	2.2
69.70444	1.6
98.20000	0.5
98.20617	0.7
99.04523	1.5
101.06084	23.2
102.06430	0.6
122.05875	0.3
127.09104	0.3
149.40454	0.3
153.01572	0.3
227.10812	1.3
260.07660	0.3
395.18677	0.4
403.19153	0.7
409.20221	0.3
437.19955	1.0
463.21423	1.4
473.64612	0.3
539.26489	1.9
540.27374	0.3
541.28357	0.5
565.28223	0.8
581.20905	1.0
583.29065	2.1
669.30988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01701	0.7
61.98830	16.0
70.52708	0.9
71.01408	0.7
78.91887	2.5
79.05527	0.5
83.05050	1.5
84.46970	0.5
88.15876	0.6
93.30837	0.6
99.04521	51.8
100.04853	1.3
101.02483	0.9
107.93605	0.5
121.02885	0.5
132.04968	0.5
133.06602	0.7
135.04547	1.1
147.04561	1.2
159.67868	0.5
173.09734	0.6
176.95914	0.5
213.09262	0.8
215.10823	0.8
280.90262	0.6
308.86118	0.6
309.14938	0.6
319.17291	0.6
352.50403	0.5
407.18842	1.4
425.19809	0.7
439.21341	1.9
459.24005	1.1
467.20721	3.5
499.23672	1.2
509.21753	0.6
516.56976	0.6
541.28052	39.8
542.28369	5.1
567.25891	3.5
583.29053	12.1
584.29840	2.1
599.28400	4.0
609.27142	1.1
641.29486	1.2
653.26813	0.9
685.28644	9.3
686.29242	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	685.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42590	0.9
59.01379	73.8
61.98831	24.1
62.63722	0.9
66.37054	1.2
69.99289	4.2
71.01389	1.3
81.03487	1.0
82.69159	0.8
83.05029	4.6
95.05038	2.0
97.06582	1.4
99.04519	100.0
100.04866	1.9
111.04546	1.1
113.06110	2.5
139.85840	1.2
141.05530	2.5
171.10269	0.9
197.11816	3.1
200.47179	0.9
209.11818	27.2
210.12163	1.5
227.12848	3.2
291.19604	2.8
300.39697	0.9
309.20709	8.7
379.18573	1.1
421.20068	7.2
439.21112	7.6
453.22708	3.7
481.22385	8.1
482.22760	1.5
565.27997	2.0
581.27612	4.5
583.28979	1.1
607.28998	1.2
625.30408	1.9
665.21448	1.1
686.90491	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15942	0.5
59.01378	100.0
60.01720	0.8
61.98829	13.4
64.27420	0.5
69.30990	2.2
69.31410	1.9
79.05541	1.0
79.67326	0.5
83.05079	0.7
85.02953	4.1
87.04516	3.6
98.75768	0.6
99.04517	5.9
101.06127	1.2
103.92202	0.5
112.98640	0.9
121.02988	1.3
147.04562	1.3
208.98412	0.5
255.23233	0.6
269.15564	0.6
309.15024	1.2
429.22214	0.5
459.23956	1.8
501.24933	34.3
502.25266	4.8
543.25952	10.1
544.26825	1.5
583.29047	3.2
600.87024	0.6
666.48059	0.6
685.30908	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	685.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81933	0.4
55.71100	0.5
59.01380	100.0
60.01725	1.1
61.98830	3.9
64.69931	0.4
68.99819	0.8
69.03436	0.9
69.85992	2.2
71.01380	2.6
73.02953	1.9
75.00884	0.9
81.03478	1.7
83.01422	0.5
83.05026	3.4
85.02942	3.5
95.05030	0.9
97.02946	0.6
97.06607	1.4
98.20033	1.0
98.20573	0.6
99.04517	38.2
100.04856	0.7
101.06086	0.6
101.47366	0.5
105.07120	0.8
107.05019	3.1
109.02981	0.7
109.06592	2.2
111.04532	1.9
111.25543	0.6
113.06071	1.1
114.18699	0.5
121.02955	1.1
121.06583	1.2
123.04547	1.5
125.06134	0.7
127.04013	1.4
133.06598	7.0
135.04518	7.1
135.08218	0.8
137.06058	1.2
139.07713	0.5
141.05594	1.0
145.06548	0.6
147.04506	0.5
147.08154	0.6
149.06076	1.3
151.07722	0.7
157.06683	0.6
159.08162	1.9
161.06020	0.8
161.09720	2.6
162.49356	0.4
163.07668	1.4
167.07098	1.9
167.51006	0.5
171.08113	2.4
173.09723	4.7
175.07576	1.1
177.09210	0.5
183.08160	0.9
185.06021	0.6
185.09723	0.8
187.07591	1.9
187.11249	2.1
188.08403	1.7
189.09145	1.5
191.07133	0.6
191.10793	0.9
193.08607	0.9
197.09686	0.5
198.06882	0.9
199.07663	0.8
200.08455	2.3
201.09174	0.7
203.10854	0.8
211.07632	0.7
211.11214	0.9
212.08157	0.7
213.09195	3.3
215.07184	0.6
215.10786	9.5
215.51947	0.5
217.08633	0.6
227.10780	0.6
229.12282	0.5
231.10167	0.9
245.11786	5.2
252.11674	0.6
253.12300	1.4
255.10205	0.7
255.13885	0.5
271.13239	0.9
297.14874	0.9
313.14658	0.5
339.15860	0.7
341.13882	1.0
349.14258	0.6
357.16870	0.6
357.31122	0.6
361.18164	0.9
379.18973	3.9
381.16925	1.5
389.17670	1.0
393.20700	0.8
407.18707	5.9
408.19336	0.7
413.19485	0.6
421.19940	1.3
425.19873	2.7
439.21255	10.7
440.21634	0.7
441.19171	1.1
443.20529	0.6
445.22076	1.0
457.22385	0.7
467.20724	5.3
468.20999	0.6
479.24338	1.0
481.21942	0.7
485.21820	9.6
486.22107	1.4
499.23270	6.8
500.24301	0.7
503.22702	1.9
507.23975	1.8
511.27316	0.9
517.24561	2.0
521.25494	0.8
525.25433	2.2
527.22589	10.7
528.22992	1.2
537.28381	0.9
541.24054	0.7
549.24939	4.9
550.25629	0.9
557.27502	9.2
558.27527	1.4
559.25952	1.7
567.25916	3.8
568.26184	0.6
581.27234	1.6
593.27820	0.5
595.28613	0.9
599.28851	3.9
603.24188	1.1
609.30292	11.2
610.30377	0.9
625.29034	0.9
627.31726	0.6
641.29700	11.7
642.30371	1.6
653.25818	1.1
685.28619	37.7
686.29089	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	685.2868
Annotation	CHEBI:68367
Peak:m/z	Relative Intensity
56.10823	0.5
59.01381	25.7
61.98536	0.8
61.98830	9.9
65.30234	0.4
69.16283	3.9
71.01390	1.2
75.00909	0.5
81.03462	0.6
83.05027	3.7
85.02933	1.5
92.48212	0.4
96.96011	0.9
99.04519	100.0
100.04843	2.1
105.07063	0.5
107.05010	1.6
109.06628	0.8
111.04478	0.8
121.02962	1.7
133.06589	2.8
135.04521	3.2
141.05583	0.4
147.04533	0.6
149.06065	0.6
159.08177	0.8
161.09772	0.6
163.07661	1.4
167.07234	0.6
171.08112	1.0
173.09698	0.7
175.07541	0.6
187.07634	0.9
187.11305	0.8
188.08411	0.7
189.09232	0.7
193.08717	0.6
197.09709	0.4
198.07025	0.5
200.08466	0.8
212.08353	0.4
213.09167	2.1
215.10883	2.3
245.11731	1.2
271.13351	1.2
327.81665	0.5
341.13852	1.2
357.17334	0.5
361.18561	0.5
368.90085	0.5
379.18967	0.9
397.20200	0.4
407.18600	3.8
421.20068	1.3
425.19501	2.3
439.21213	4.8
440.21472	0.6
467.20712	8.1
468.20920	0.6
485.21777	0.8
499.23532	4.1
509.21411	2.5
510.23026	0.4
525.25427	0.7
567.25995	8.2
568.26245	1.3
599.28558	8.8
600.29059	1.6
609.27374	2.8
641.29419	3.3
643.27606	1.6
653.26263	1.0
685.28693	21.9
686.28754	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55351	0.4
57.03453	0.6
59.01379	100.0
60.01712	0.8
61.98831	10.5
69.03451	0.6
71.01384	1.8
72.99277	0.5
73.01411	0.4
81.03461	0.6
83.05033	1.4
85.02940	2.7
95.05007	0.7
97.06584	1.0
98.00082	1.1
99.04518	10.9
101.02438	0.4
107.05037	3.0
109.02948	0.4
109.06602	0.8
109.64986	0.4
110.99364	0.4
111.04497	1.2
113.06110	0.5
121.02953	3.5
121.06605	0.7
123.04543	0.6
127.04036	0.9
133.06606	0.8
135.04523	6.0
136.05342	0.4
141.05554	0.6
147.04500	0.5
147.08182	0.4
149.06058	0.5
151.04016	1.1
157.27400	0.4
163.07623	0.9
167.07219	0.4
171.08148	0.4
172.08786	0.4
193.08789	0.6
215.10675	0.6
245.11771	0.6
260.70874	0.4
266.99753	0.4
273.69003	0.4
361.18323	0.5
379.18744	0.9
381.17010	1.0
382.31152	0.4
407.18573	1.3
421.20068	0.9
425.19727	1.4
439.21146	3.3
467.20715	3.8
468.20999	0.7
485.21835	12.6
486.21988	1.4
499.23495	0.9
503.22836	1.0
517.24280	1.5
527.22839	17.8
528.23041	2.6
549.24866	1.2
567.26196	1.3
571.21960	0.6
581.27289	0.9
599.28833	1.0
603.24438	3.1
604.24890	0.6
609.27039	4.9
610.27338	0.9
622.27740	0.5
641.29657	5.6
642.30243	0.9
653.25891	7.8
654.26160	1.3
685.28619	25.1
686.28595	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	685.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77329	1.4
59.01381	26.8
61.98829	100.0
63.27168	1.5
68.97850	1.5
69.49915	10.7
74.71700	1.7
75.00896	1.6
78.95894	3.4
82.61112	1.5
82.95402	3.7
98.20744	1.8
99.04496	5.1
121.02937	8.6
150.30298	1.6
181.08672	1.8
205.03276	1.6
209.11795	9.7
227.12950	1.9
255.23289	2.0
279.23297	2.1
301.79877	1.9
309.20828	1.9
342.22299	1.8
547.27283	2.5
583.29004	4.0
625.34692	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	685.2861
Annotation	CHEBI:68367
Peak:m/z	Relative Intensity
54.67763	0.7
56.26337	0.6
57.03455	0.8
57.32481	0.7
59.01381	100.0
60.94815	0.7
61.98831	7.6
69.03453	0.7
71.01384	2.0
73.02964	0.8
75.21608	0.7
79.48277	0.7
81.03463	1.2
83.05024	2.7
85.02960	5.9
88.69535	0.6
95.05049	0.7
97.06636	1.4
99.04516	21.0
101.02438	0.7
107.05035	3.0
109.02921	0.8
109.06582	1.8
111.04493	0.7
113.06117	1.2
121.02963	1.7
121.06655	0.9
123.04539	1.1
125.06076	0.9
127.04094	1.1
133.06587	5.7
135.04517	5.7
135.08180	0.8
145.06581	1.0
147.04506	5.2
147.08125	0.9
148.54855	0.7
149.06131	0.9
151.04021	1.1
159.08174	1.4
160.53549	0.6
161.09651	1.5
165.09212	0.7
167.07117	1.2
171.04546	0.8
171.08122	1.4
173.09732	2.6
175.07567	0.7
185.09712	0.8
187.07661	1.8
187.11295	1.4
188.08429	0.8
189.09218	1.6
193.08775	1.0
198.06883	0.7
199.07716	1.4
199.17152	0.8
200.08408	1.6
213.09187	2.3
215.10759	6.2
227.27208	0.7
245.11755	4.4
271.13321	1.0
341.13870	1.0
345.15140	0.8
369.23792	0.6
379.19009	2.6
381.16989	1.2
393.21219	0.8
407.18518	4.7
421.20294	0.7
425.19656	2.2
439.21329	8.0
457.22003	0.9
467.20847	4.3
481.22031	1.1
485.21738	9.1
494.93332	0.7
499.23389	5.1
500.23816	0.8
503.23013	2.1
507.23792	1.2
517.24402	1.2
525.24713	2.2
527.22815	10.8
528.22900	1.1
543.25507	0.8
549.25140	4.3
557.27545	8.4
558.27881	0.7
559.25519	1.8
567.25928	3.7
581.27576	1.5
599.28326	2.8
603.25049	1.7
609.27002	6.2
610.27252	1.0
641.29578	9.3
642.30017	1.4
653.26416	3.3
685.28735	37.1
686.28705	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	684.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06397	0.5
56.92461	0.4
57.27252	0.4
59.01382	14.5
60.61063	0.4
61.08403	0.5
61.98830	100.0
62.84141	0.4
66.54669	0.5
70.27463	1.6
71.01407	0.7
74.48564	0.4
81.03450	0.6
85.02972	2.6
87.00945	0.5
87.04508	1.0
95.05051	0.8
97.50269	0.4
99.04523	10.0
99.05172	0.5
101.06057	0.8
108.98839	0.5
119.05067	0.6
121.02956	37.7
122.03349	0.9
123.04523	2.2
133.06604	1.1
145.06589	1.0
147.04538	2.0
161.06105	0.7
171.08214	0.6
173.09633	0.5
217.12375	0.6
250.91109	0.5
399.04083	0.4
413.23367	2.8
439.21255	0.9
445.22589	1.4
485.22113	0.8
509.25403	1.1
527.26166	1.6
561.25031	4.0
571.25610	0.7
579.25995	15.9
580.26440	2.8
583.78748	0.5
609.30780	5.5
621.27032	69.7
622.27307	14.0
640.32477	0.8
641.32190	1.9
653.27832	0.8
684.29834	0.7
685.29468	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	684.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05550	0.9
55.29434	1.0
57.03447	1.8
59.01378	53.5
60.01732	1.2
61.98833	23.0
63.81300	0.8
69.03488	1.3
72.99318	1.0
76.00320	0.8
85.02948	3.8
87.04531	2.4
121.02953	1.4
126.21797	0.8
151.11255	2.7
153.44514	0.9
229.63370	1.0
279.15817	1.1
314.44528	0.9
337.25168	1.3
367.26331	1.4
385.27304	5.3
413.26834	2.1
427.28625	1.3
431.27890	2.0
473.29028	100.0
474.29358	13.9
475.26794	1.2
517.28076	2.4
535.29138	3.5
577.30139	51.5
578.30499	6.7
621.28784	8.1
622.29517	1.0
642.35486	1.0
685.28870	1.0
687.45319	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68473	0.9
59.01378	41.1
60.01710	1.8
61.98830	49.8
71.01382	2.7
71.53947	1.6
73.02950	2.2
79.05521	1.2
81.02202	8.2
82.02987	23.9
83.05035	1.4
85.02954	25.8
99.00798	1.0
99.04518	47.3
100.04877	1.4
101.02470	1.7
102.05627	1.8
103.03996	0.9
108.04523	0.9
119.08658	2.6
121.02950	13.8
123.04581	1.1
124.07698	1.0
147.04524	3.4
148.04846	1.2
150.05600	5.8
167.05858	7.7
168.06670	25.1
200.10846	3.4
223.11295	1.0
246.11174	1.0
261.10083	1.0
268.13458	1.3
280.13568	1.8
281.09775	1.1
286.14255	4.8
366.16943	1.9
382.68286	1.3
392.18671	2.9
410.19739	3.0
412.18884	5.7
412.69339	10.7
413.19662	3.4
429.19043	1.2
524.26556	1.6
542.27466	2.6
545.24219	2.1
560.29242	1.8
565.24567	3.5
567.25793	3.7
598.26874	1.1
606.30847	2.6
607.25598	1.1
621.25647	2.0
624.31897	9.7
642.32782	100.0
643.33112	15.3
652.27588	1.3
666.32690	2.2
684.33868	51.0
685.34186	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	683.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.2
59.01381	4.4
61.36213	0.4
61.98829	8.1
64.16869	0.3
69.03466	1.0
69.32732	3.0
71.01384	3.7
72.61954	0.4
72.99306	0.6
73.02962	0.9
83.05025	0.7
83.84306	0.4
85.02959	1.5
87.00889	1.9
89.02460	1.8
91.37377	0.3
95.01390	0.5
95.05018	0.8
97.06589	12.8
101.02443	3.2
105.77705	0.3
113.02449	2.1
119.03490	0.4
123.08165	7.1
125.09724	73.3
126.10069	3.1
143.10760	0.7
145.05074	1.4
161.04559	1.4
169.08714	1.2
187.09750	30.8
188.10110	1.0
235.08296	2.0
253.09251	2.4
277.21725	38.7
278.22058	3.4
324.66507	0.4
400.32120	0.4
405.17700	3.8
423.18668	4.8
521.35205	0.4
635.55902	0.5
651.24609	2.6
652.24902	1.0
683.40051	100.0
684.27966	1.2
684.40356	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	684.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27016	0.4
59.01378	6.8
61.98829	100.0
71.06276	0.4
75.00850	0.6
83.60774	0.5
85.02950	1.0
97.03019	0.9
99.04522	4.0
121.02955	34.2
122.03300	0.9
145.06624	0.8
147.04515	1.5
148.54463	0.5
197.12007	0.5
241.43378	0.4
243.10210	0.6
367.18051	0.5
413.23138	0.7
429.22897	1.3
439.21283	0.9
457.22461	0.9
553.72491	0.5
561.24780	3.2
579.26099	3.7
580.26752	0.9
593.27246	0.7
621.27008	44.1
622.27338	8.9
625.29803	0.8
627.32025	0.7
640.32397	0.7
657.30505	0.6
683.05920	0.5
684.32953	0.7
685.29382	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	683.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99835	0.4
56.72735	0.4
57.03427	0.4
59.01382	14.4
60.99306	17.0
61.98827	5.6
70.06950	0.4
71.01379	2.1
73.02947	0.9
83.01396	0.4
85.02960	1.7
87.45984	0.4
88.98805	100.0
89.02438	0.8
89.99151	0.7
95.01440	0.5
96.96018	1.0
101.02432	1.0
113.02451	1.8
117.08577	0.5
121.02979	2.0
127.86794	0.4
147.04501	0.7
345.29962	1.3
489.34335	14.7
490.34750	2.0
507.35373	4.2
508.35757	0.8
549.36346	3.0
550.37134	0.7
605.24103	0.8
639.33380	0.7
683.36517	1.6
684.33099	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95639	0.6
57.03452	4.5
59.01377	6.1
60.50902	0.6
61.98823	2.7
63.67728	0.6
65.30527	0.6
67.35938	0.6
67.55527	0.7
69.03419	0.7
70.03859	3.0
71.01389	5.1
80.42051	0.5
82.89796	0.7
83.05032	1.0
85.02942	1.1
89.02469	3.8
94.02097	0.6
94.82854	0.7
95.05035	1.4
97.06593	12.4
98.19991	1.0
101.02435	2.6
113.02486	1.7
123.08165	6.5
125.09721	94.7
125.34698	0.7
126.10065	2.6
143.10741	1.5
161.04539	1.0
169.08688	2.8
179.05637	1.0
187.09747	68.6
188.10104	2.8
211.09671	0.9
253.09251	2.2
277.21707	13.1
278.22095	1.0
301.22568	0.9
345.00623	0.6
405.17535	4.8
423.18686	14.3
424.18765	1.2
651.24487	0.8
683.40033	100.0
684.40350	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	683.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12027	0.5
55.36113	0.5
59.01376	7.1
61.98834	10.9
71.01392	1.2
79.05540	0.7
82.95408	3.8
83.05025	2.6
85.02953	17.4
97.02956	0.6
99.04520	100.0
100.04862	2.9
101.06095	0.9
105.07169	0.8
107.05037	1.7
109.06568	0.6
111.04503	1.1
121.02948	2.9
121.06596	0.9
123.04555	0.7
133.06610	2.7
135.03654	0.5
135.04523	3.5
135.08203	0.6
137.06087	0.6
137.09724	5.9
147.04486	0.5
147.08238	0.6
149.06039	0.7
149.09698	0.5
159.08154	0.9
161.06078	0.7
161.09741	2.1
165.09262	0.6
167.07114	3.2
173.09758	1.5
175.07617	0.8
185.09723	0.6
187.11250	0.8
188.08400	2.3
189.09181	1.6
190.47467	0.5
190.60503	0.5
193.08659	1.1
201.09132	0.8
210.99817	0.5
213.09180	1.7
215.10799	1.2
225.09254	0.5
245.11789	0.5
246.64668	0.6
271.13229	0.5
341.13928	1.2
357.17160	1.4
361.18005	0.9
379.19095	1.7
397.20169	1.3
424.28464	0.5
425.19589	2.6
439.21088	0.7
443.21091	0.6
457.22363	3.3
461.22385	1.2
479.24393	2.0
497.25183	2.1
507.24017	1.1
511.26953	1.1
525.24847	5.1
539.26501	1.9
557.27509	1.8
579.29279	1.2
599.28839	1.8
601.28046	0.6
607.29028	6.0
608.29089	1.1
613.25702	0.6
621.30640	4.7
622.31519	0.6
624.32104	0.6
639.31458	5.9
640.32178	1.2
683.30725	29.3
684.31293	4.4
711.17542	0.5
714.01923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01713	0.7
61.98845	0.4
71.01360	0.1
81.03474	0.1
83.05035	0.3
85.02957	0.1
95.05032	0.4
97.06577	0.1
99.04520	19.4
100.04861	0.3
107.05010	0.2
109.02949	0.1
109.06588	0.2
111.04488	0.2
113.06083	0.3
115.25772	0.1
135.04518	0.1
141.05606	0.7
152.36488	0.1
195.94650	0.1
212.08305	0.1
227.10771	1.2
241.13416	0.2
255.23320	0.3
277.21729	0.5
307.13449	0.1
337.14282	0.1
339.15897	0.2
351.15717	0.1
363.15918	0.3
368.09900	0.1
377.17480	0.2
383.12347	0.3
395.18549	0.3
403.19107	0.4
409.20029	0.6
421.19946	0.5
435.21597	0.3
437.19601	1.2
463.15427	0.1
463.21124	1.1
481.22263	0.1
499.22864	0.2
537.24872	2.1
538.24738	0.2
563.26270	1.0
564.26599	0.1
581.27795	0.9
651.24762	0.5
683.27191	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76964	0.7
59.01379	32.5
61.98833	12.5
63.39245	0.6
69.03468	0.8
70.53437	1.3
70.53792	1.9
72.35948	0.8
85.02933	1.6
96.96012	1.1
98.20284	1.1
99.04519	30.5
101.06085	1.6
106.06651	0.9
107.05006	1.1
112.98528	0.9
121.02956	100.0
122.03302	3.1
135.04506	1.5
137.09758	1.4
137.92581	0.7
147.04559	0.8
167.07166	1.0
171.10242	0.7
351.91885	0.9
413.36819	0.8
415.25037	0.8
425.19730	1.1
459.23889	2.0
513.28906	0.9
519.16998	0.9
519.19714	1.0
519.27588	9.1
520.27649	1.2
525.24982	1.5
539.26007	0.8
555.29712	3.1
563.26434	26.0
563.34930	1.4
564.19073	1.1
564.26959	3.8
581.27417	13.3
582.28009	2.0
607.28949	1.4
623.28381	5.6
633.19415	3.8
639.31976	2.5
651.20313	4.4
652.21210	1.2
683.22797	2.7
683.31427	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	683.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	44.8
61.98830	100.0
62.18943	2.3
68.99581	12.4
71.01409	3.4
75.00867	3.0
85.04814	2.5
90.96857	2.3
98.19892	7.6
99.00884	6.4
99.04528	23.9
101.06067	7.8
109.42798	2.7
112.98554	13.0
121.02966	47.3
124.56173	2.5
147.04518	9.6
167.68222	2.7
171.10066	2.5
181.65889	2.6
225.16245	2.3
236.13138	2.6
251.11516	2.8
454.18964	3.1
541.27905	7.5
561.24658	6.7
591.28632	3.7
599.28754	9.7
603.25977	10.3
604.26410	4.2
605.26849	5.7
619.21960	7.3
647.27850	7.8
660.81830	3.0
683.26202	4.5
683.34473	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	683.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37226	0.8
59.01377	28.6
59.13979	0.8
61.98828	24.3
67.03686	0.8
69.85812	1.4
69.86218	4.3
71.01376	4.2
72.99266	1.0
73.02962	1.3
75.00880	1.8
79.05495	1.2
81.03461	0.9
83.05013	2.0
85.02937	3.0
87.00817	0.9
88.98825	1.0
93.03448	1.5
95.05051	0.9
95.24021	0.8
96.95986	2.4
98.20544	1.3
99.04526	10.7
101.02409	1.8
101.06084	1.0
107.04989	2.0
108.73409	1.0
109.06576	1.3
110.03770	1.0
111.04471	1.9
115.00414	1.1
119.05053	1.6
121.02954	100.0
122.03289	3.3
127.03931	1.2
131.41046	0.9
133.06541	2.6
135.04543	2.4
135.08192	1.0
147.04509	6.1
147.08093	0.9
161.04529	1.1
161.06044	1.1
161.09697	1.8
167.07072	2.8
173.09691	1.6
187.07721	1.1
187.11220	3.5
189.09216	1.9
209.11783	1.5
211.18291	1.0
213.09109	1.1
245.11880	1.5
277.21936	1.0
314.81921	0.9
425.19507	1.6
427.21051	1.8
443.20792	1.2
485.21732	2.4
503.23572	1.2
509.25320	2.8
527.26355	2.7
547.22888	1.1
561.23309	4.0
569.27399	7.0
571.26129	2.2
581.23743	1.1
593.23779	1.4
613.26447	16.5
614.26520	3.2
615.27502	4.2
616.27777	1.1
623.24304	4.6
625.26001	1.9
639.34308	1.6
651.24329	13.8
652.25360	2.5
665.26282	1.3
683.26941	52.5
684.27338	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	683.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53748	0.4
55.01880	0.5
57.03444	0.9
57.06837	0.4
58.00580	1.4
59.01379	39.9
69.13995	0.4
70.25954	0.9
71.01382	29.2
72.99326	1.9
73.02948	0.9
83.01380	1.3
85.02943	4.3
87.00870	1.5
89.02443	36.8
90.02795	0.5
95.01374	2.6
99.01312	0.5
101.02440	15.5
113.02450	12.7
113.03249	0.4
119.03493	12.1
125.02393	0.4
131.03513	2.0
135.04527	7.4
143.03474	2.7
149.04558	0.8
161.04555	4.3
179.05608	14.9
180.05919	0.7
275.22812	0.4
341.10873	100.0
342.11215	6.9
394.77356	0.4
406.72565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52153	9.6
59.01371	36.6
71.52670	11.7
120.11021	11.5
153.42160	10.5
163.63309	9.0
171.10225	38.9
194.89043	10.1
233.97821	11.3
299.04971	9.0
301.68707	11.3
387.25290	24.8
405.26260	17.1
623.34558	100.0
640.25659	12.0
683.26630	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	683.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32178	3.5
59.01377	29.4
61.98835	23.8
68.99552	6.6
70.11946	15.6
71.01366	5.5
73.02977	3.8
98.19984	5.9
99.04533	4.3
112.98516	7.2
121.02962	45.4
121.55965	3.9
171.10246	16.5
171.38925	3.7
171.88638	4.1
172.10616	5.0
237.06682	10.8
241.13434	57.2
247.08908	3.9
291.19608	4.9
292.19876	8.4
309.08789	5.5
323.10214	7.1
350.28653	3.8
351.09811	11.0
383.12448	18.0
387.25055	4.9
405.26257	6.2
623.34198	20.5
651.24573	100.0
652.24390	18.8
683.27216	19.8
711.75873	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	683.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.6
59.01378	9.0
61.98826	1.5
68.99810	1.3
69.03443	2.1
69.39375	5.5
71.01390	5.3
73.02945	2.0
79.21673	0.8
81.03460	7.7
83.01385	5.7
85.02937	3.6
87.00893	1.5
89.02431	2.4
93.03474	5.7
95.01381	2.3
95.05032	5.1
96.96005	0.9
97.02970	4.3
98.19934	1.5
99.00906	1.0
99.04492	2.5
101.02426	2.8
102.10973	0.6
103.00336	0.7
107.05033	1.6
109.02944	3.2
109.06577	0.8
111.04499	2.8
113.02451	2.2
119.05044	9.3
121.02971	4.0
121.06593	1.4
123.00825	0.9
123.04520	16.7
125.02448	11.4
135.04543	3.8
137.02435	4.5
137.06082	7.3
139.04005	9.3
141.05632	0.8
147.04539	3.5
149.02454	2.2
149.06104	1.5
151.00272	0.8
151.04001	3.2
151.07639	0.7
152.04602	0.7
153.05511	1.3
155.03471	1.0
161.06091	2.1
161.08159	0.9
163.03999	4.3
163.07700	1.3
165.01933	2.9
165.05536	7.4
166.02724	1.4
167.03503	28.0
177.05566	1.8
179.03506	7.2
179.07050	1.3
180.04272	1.1
181.05043	2.4
188.54311	0.7
189.05585	8.6
191.03482	2.3
191.07121	0.8
193.05054	3.3
197.04570	4.7
207.06589	1.8
209.04562	29.4
210.04857	1.3
219.03079	1.0
221.04611	3.4
225.11339	1.0
229.08701	0.8
233.04480	2.5
239.05612	10.9
251.05641	4.7
263.05573	0.8
269.06570	1.9
273.07690	3.0
281.06543	0.9
281.09409	1.7
285.07529	1.2
315.08737	19.6
316.09061	1.1
327.08585	6.4
328.09210	1.3
339.08551	1.9
341.10306	1.5
342.10391	0.8
345.09802	6.2
353.10144	0.9
355.08148	1.0
357.09775	100.0
358.10153	8.3
369.09717	3.3
387.10849	75.6
388.11197	5.1
399.10782	2.6
411.10477	0.9
417.11908	23.6
418.12100	2.3
429.12244	1.8
441.12088	1.7
459.12903	5.2
471.12897	2.1
477.14008	26.2
478.14459	2.0
489.14148	3.6
501.14154	3.2
507.15091	2.1
519.15161	6.7
531.15704	1.5
539.21472	1.7
549.15747	0.8
597.18274	3.2
608.22455	1.9
621.17902	1.2
623.13574	0.8
623.25848	1.2
639.19135	5.2
683.18665	2.1
683.38947	1.2
684.23724	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67826	0.6
59.01384	5.7
60.99010	1.0
60.99310	16.6
71.01384	2.5
85.02946	0.8
88.98807	100.0
98.20767	1.3
101.02444	1.4
113.02454	0.7
119.03400	0.7
151.00336	1.1
161.04599	1.2
181.05083	1.1
187.04051	0.9
189.05403	0.8
193.62997	0.6
225.11180	1.2
227.03491	9.0
229.05089	3.2
241.05215	0.6
255.02977	17.2
256.03589	1.7
257.04550	1.6
267.02792	0.9
284.03247	25.0
285.04007	32.2
286.04361	2.3
387.14413	0.8
461.18109	1.9
593.15088	67.6
594.15448	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	683.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52998	0.4
59.01381	9.7
60.99305	19.6
61.98837	0.6
69.59650	0.4
69.75145	2.7
71.01386	3.6
73.02937	0.8
83.01402	0.6
85.02962	1.1
88.98804	100.0
89.02450	1.1
89.99129	0.9
93.03466	0.6
101.02435	2.3
105.93083	0.4
107.01366	0.7
113.02485	1.0
121.02995	0.8
125.02393	0.5
151.00397	1.0
159.04517	0.4
161.04541	1.4
163.00290	0.9
179.05563	0.5
181.05136	1.5
185.06104	0.4
187.03990	0.5
189.05602	0.6
207.10245	0.7
225.11346	0.8
227.03505	7.2
228.03761	0.6
229.05049	3.6
239.03677	0.5
241.05092	0.6
253.84302	0.4
255.02991	15.3
256.03476	1.7
257.04581	2.3
267.03119	0.5
277.62299	0.4
284.03256	25.3
285.04016	32.6
286.04428	1.9
387.14737	0.8
461.18124	2.0
521.41559	0.5
562.34064	0.5
572.10687	0.5
593.15082	64.5
594.15430	10.2
623.25665	1.2
713.23468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40279	0.4
57.02442	0.4
61.98832	100.0
70.17629	1.1
70.18031	0.7
70.51785	0.4
78.95870	0.5
92.68295	0.5
100.15410	0.4
132.06992	0.4
152.99625	0.5
154.45786	0.4
255.23285	0.9
488.10480	0.4
523.86249	0.4
619.36511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
69.17110	1.2
69.17544	1.0
78.95924	0.4
129.89079	0.2
185.60957	0.2
186.11754	0.2
207.80099	0.3
226.71120	0.2
243.02197	0.2
255.23413	0.5
274.62238	0.2
277.21814	1.1
340.50507	0.2
344.67413	0.3
379.88928	0.3
445.23602	0.4
446.24161	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.1
61.98832	100.0
85.02954	2.2
98.19942	0.6
99.04523	9.0
100.04867	1.3
121.02962	3.5
122.03320	1.0
147.04564	1.0
148.05006	0.2
159.07906	0.2
199.27463	0.2
277.85379	0.2
362.18564	0.3
524.24030	0.9
558.27936	0.3
606.27905	0.3
621.30707	0.4
638.30145	1.1
639.31818	0.3
682.29333	1.9
683.31055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10120	0.8
59.01379	51.2
60.01716	1.8
61.98837	4.1
69.16763	2.2
69.17187	6.3
72.99299	4.1
87.00879	8.6
98.20641	2.2
106.71288	0.8
107.49500	0.7
113.83505	0.8
147.04396	0.8
151.11279	1.0
172.17999	0.8
203.59178	0.8
277.14484	1.0
278.15030	1.4
297.22171	1.3
429.26367	10.0
430.26794	1.5
471.27493	100.0
472.27823	14.6
473.25546	1.1
515.26630	1.2
533.27264	3.7
575.28473	3.5
619.28009	3.8
620.27753	1.1
622.75787	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01070	1.1
59.01378	23.5
61.98830	61.7
69.24822	5.4
71.01362	1.7
73.02966	1.4
75.48682	0.5
81.02197	5.0
82.02991	7.0
85.02956	2.3
87.04523	1.1
88.98811	1.1
98.20270	3.0
99.00879	0.8
99.04518	29.4
100.04847	1.0
101.06084	1.8
102.05617	0.6
106.95139	0.5
107.05001	1.0
111.04490	1.2
113.02432	0.7
115.92030	0.6
116.92841	1.7
121.02957	16.9
123.04575	1.1
125.02434	0.7
126.29163	0.6
140.35808	0.6
147.04482	1.6
147.08109	0.9
150.05634	1.4
158.06105	1.5
159.06938	2.8
163.07532	0.9
167.05862	3.6
167.07014	0.7
168.06680	4.0
175.02440	0.8
177.05698	0.6
202.12323	0.7
203.14450	1.0
206.55515	0.6
214.12392	0.8
227.09512	3.5
245.10487	3.5
272.11536	0.7
282.14990	0.6
295.15582	5.4
300.16113	1.4
337.16525	1.0
372.20386	0.6
459.24149	1.0
471.23993	1.5
478.25568	0.9
503.58978	0.7
522.25415	0.7
532.26813	0.7
575.28491	8.3
576.28491	1.4
592.28528	2.5
593.24603	1.4
600.28418	1.6
604.28705	1.5
619.27380	1.0
622.29926	3.1
623.24561	1.1
625.26422	1.7
639.23743	0.7
640.31104	10.2
641.31976	2.1
664.31018	3.5
682.32312	100.0
683.22131	1.1
683.33099	12.5
711.99896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	59.0
64.55460	10.6
69.26970	100.0
71.01379	10.8
77.02164	10.9
78.95885	11.0
97.65649	10.0
119.20869	10.5
127.26451	12.7
167.01135	15.4
189.14293	11.3
249.82907	11.1
258.85089	11.0
277.21710	47.1
445.23398	35.7
629.06378	13.7
681.37598	89.5
682.38464	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	682.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04198	0.1
50.07154	0.1
55.85556	0.1
59.01380	1.2
59.42122	0.1
60.69471	0.1
61.98829	100.0
62.98536	0.2
68.99559	0.2
78.91917	0.2
80.91704	0.3
83.68384	0.1
85.02948	1.0
86.34818	0.1
96.96001	0.1
98.20147	0.6
99.04513	1.3
110.61320	0.1
111.75370	0.1
112.98580	0.2
114.05618	0.3
118.68884	0.1
121.02951	2.4
132.41861	0.1
147.04579	0.2
168.75453	0.1
193.09636	0.1
216.56732	0.1
281.00458	0.1
341.25266	0.1
388.84863	0.1
411.18121	0.2
422.72180	0.1
499.63425	0.1
515.26831	0.3
563.26807	0.2
682.29987	0.1
683.30988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63899	0.5
59.01377	8.7
61.98827	12.7
63.99248	1.1
69.68017	2.1
69.68449	0.9
71.01362	0.9
78.95908	0.7
83.05033	1.1
85.02946	5.9
93.03446	0.8
96.96007	1.9
97.06606	0.7
98.20117	1.0
98.95583	1.2
99.00900	0.7
99.04517	100.0
100.04859	2.9
101.06116	0.5
115.92036	0.8
121.02959	2.1
127.04010	0.5
137.02454	0.6
145.06572	1.4
147.04488	0.7
147.08191	0.8
160.05247	1.1
161.06047	1.3
180.73203	0.5
199.11327	0.7
201.12785	0.5
217.49461	0.5
225.09259	1.0
227.10960	0.7
241.14288	0.5
243.74611	0.5
295.15430	1.0
299.16479	0.9
413.23291	7.8
414.23639	0.9
429.22943	2.9
431.24353	1.5
439.21057	0.9
457.22244	1.2
495.27161	1.0
513.28558	2.0
521.25488	1.0
539.26477	8.0
540.26849	1.2
555.25964	1.9
557.27472	10.8
558.27826	1.6
599.28595	84.5
600.28943	11.4
637.30231	1.2
681.32764	24.0
682.32758	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	681.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	28.2
61.98829	8.1
69.62962	1.8
69.63395	2.9
71.01376	0.8
81.03451	1.2
85.02929	0.9
95.05019	1.5
96.96033	4.4
97.06586	0.8
99.04521	56.6
100.04817	1.4
103.05514	1.2
104.65018	0.7
112.47569	0.8
121.02964	7.2
123.04536	10.0
145.06609	1.0
147.04524	64.5
148.04884	4.0
149.12321	0.8
161.06075	1.0
175.11244	1.1
191.66685	0.7
199.11241	1.1
203.14188	0.7
217.12332	2.4
302.40164	0.8
315.89725	0.8
341.85062	0.7
383.22275	1.1
389.23532	1.0
413.23285	1.9
431.24289	7.7
432.24918	0.9
439.21060	1.4
457.22345	0.7
535.31061	0.8
539.26593	6.2
557.27527	31.7
557.36249	1.6
558.27777	4.3
599.28601	100.0
600.28882	15.0
681.32758	34.0
682.33264	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	681.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03036	0.9
52.35023	0.9
59.01381	46.5
61.84682	1.0
61.98828	10.3
69.17534	6.8
69.17962	3.4
75.00882	1.4
83.66930	1.0
85.02943	14.4
94.49638	1.1
96.95998	3.4
98.20685	2.3
99.04518	100.0
99.92572	2.2
100.04838	1.9
115.92071	5.0
116.92838	4.6
121.02959	41.2
122.03231	1.1
123.04537	2.0
133.06639	1.2
145.02962	3.9
145.06593	1.7
147.04529	8.9
165.05518	1.6
171.10353	1.1
413.23337	6.3
431.24670	1.2
447.30899	1.1
455.20786	2.6
457.22665	1.3
539.26459	5.7
551.26215	1.1
551.60266	1.3
555.25787	2.7
557.27576	8.2
558.27429	1.7
561.24982	2.0
581.27716	1.9
585.24811	4.4
599.28601	48.0
600.28546	6.0
603.25989	19.3
604.26508	2.9
619.28802	2.7
637.30280	8.6
638.30219	1.5
663.19342	2.5
681.20898	2.6
681.32666	47.7
682.33093	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	681.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44902	1.0
55.29332	1.3
59.01071	2.2
59.01378	57.8
61.98829	67.6
71.01370	2.2
73.02142	1.3
79.26109	1.1
83.05037	4.4
85.02950	60.7
87.00845	1.2
99.04520	100.0
100.04882	2.4
115.39418	1.1
121.02958	51.7
133.06573	1.4
137.09723	2.5
147.04503	7.5
151.06760	1.1
171.08006	1.6
207.78929	1.2
213.09090	1.4
277.21921	1.3
321.37360	1.2
445.23651	1.5
499.58954	1.4
523.23444	10.0
524.23572	2.1
533.25476	2.1
535.26874	1.6
537.25256	2.0
543.23785	4.2
551.26337	2.7
555.26263	9.2
557.26758	1.8
565.23950	1.6
577.24310	15.0
578.24866	2.2
603.25916	5.7
605.27283	4.1
619.29272	10.8
620.29089	2.3
621.27252	3.1
637.30145	42.8
638.30487	8.1
645.26605	3.6
649.26947	2.7
681.28986	20.7
682.29260	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	681.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32701	0.1
59.01379	100.0
60.01721	0.7
61.98830	2.4
71.53094	0.2
71.53521	0.2
75.00879	0.2
78.95900	0.1
83.51613	0.2
85.02950	0.5
89.39476	0.1
93.14830	0.2
98.20115	0.2
99.04520	8.2
100.04874	0.3
113.95817	0.1
121.02950	0.9
137.09731	0.3
146.56953	0.1
147.04556	0.3
147.08177	0.2
225.09232	0.3
231.09869	0.1
277.21948	0.2
369.93130	0.1
383.87283	0.2
413.23459	0.3
445.23315	0.2
457.22653	0.6
470.52176	0.2
495.27991	0.2
521.25647	0.4
523.23248	1.8
523.30426	0.2
524.23932	0.3
539.26471	17.5
540.26703	2.4
565.28357	0.4
605.27869	0.3
621.30878	0.4
637.30243	0.2
649.24500	0.3
681.29352	0.9
682.30878	0.3
710.66791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	90.3
61.25004	0.6
61.98832	77.7
63.28311	0.6
71.52081	1.2
78.91930	0.7
85.02958	12.8
90.10543	0.7
90.60053	0.8
95.05004	1.2
95.37603	0.7
96.92399	0.7
99.04521	9.3
121.02962	100.0
122.03305	2.6
123.04525	2.4
145.02972	9.2
147.04529	14.8
165.05600	1.7
203.07256	0.9
455.20755	5.7
456.21454	0.8
469.25406	0.8
495.23175	1.2
513.23767	2.5
528.60583	0.7
543.23669	2.5
544.23572	0.7
555.26111	7.1
561.24744	3.8
575.34613	0.8
585.24969	10.8
586.25067	1.7
599.27673	1.0
603.25977	48.6
604.26123	8.8
619.29077	2.3
625.23932	0.8
637.30115	4.4
681.29590	2.3
694.63000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85874	0.8
59.01378	26.5
61.98540	1.3
61.98832	16.4
63.27116	0.7
69.03394	0.8
71.01390	1.3
71.16731	0.9
78.91881	0.9
83.05029	1.1
85.02949	100.0
86.03302	1.6
88.98798	2.1
95.05027	0.9
98.20155	4.6
99.04518	92.7
100.04841	1.9
121.02958	11.2
123.04545	1.0
125.06093	1.0
131.04900	0.9
133.06573	2.2
135.08139	1.1
147.04526	1.8
147.08185	1.2
155.28275	0.8
158.86897	0.9
159.08174	1.1
173.09695	1.9
183.08170	0.9
187.11281	1.7
193.50473	0.8
199.07623	1.5
199.09549	0.9
211.07558	1.0
212.02679	0.9
213.09195	2.0
215.10741	1.1
224.21735	0.9
255.13882	1.9
281.11911	1.3
296.92419	1.0
310.15308	0.9
347.20184	1.2
413.23120	1.5
431.24252	2.2
467.16940	1.0
469.25885	3.3
495.23981	2.9
505.29376	0.9
509.25656	1.3
511.26593	1.4
513.29315	17.7
514.29187	1.7
527.27161	1.1
537.24371	7.8
538.25140	1.0
539.26178	1.1
551.26019	5.2
555.25830	37.6
556.25806	5.4
557.27557	5.8
577.24445	1.0
591.29608	2.2
593.30859	2.0
599.26794	1.2
603.25446	1.1
619.29102	20.6
620.29468	3.2
621.31122	1.1
637.30182	60.5
638.30383	11.2
639.31451	6.4
681.31421	16.5
682.32257	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	681.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01383	3.1
60.80471	0.3
61.98831	10.0
66.17656	0.2
66.90871	0.2
69.16250	2.0
69.16677	0.5
71.01364	0.7
72.99325	0.3
78.91890	9.5
85.02950	4.8
87.00861	1.3
97.02959	0.5
98.00098	0.6
98.20688	0.5
98.68857	0.3
99.04519	100.0
100.04852	1.9
101.06032	0.6
109.06577	0.3
121.02934	2.3
125.02444	0.3
125.06104	0.3
133.06599	0.5
137.09718	3.5
147.04506	1.1
147.08173	1.0
160.41319	0.3
163.07623	0.4
173.09843	0.3
207.60330	0.3
217.08437	0.3
379.19052	0.9
441.19092	0.8
459.20422	0.3
469.26239	0.3
495.23706	0.6
523.23346	24.6
524.23816	3.5
537.25732	0.4
551.73090	0.3
555.25714	3.2
557.27258	0.9
567.22589	0.6
599.24738	1.5
605.27557	4.7
606.27814	1.2
619.29004	0.9
621.24927	0.3
637.30042	5.2
638.30212	0.9
649.26453	3.9
650.26654	0.8
653.29700	0.4
681.29150	14.5
682.29175	3.0
692.03497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32043	0.5
59.01107	0.9
59.01378	10.9
61.96490	0.5
61.98830	4.9
69.03471	0.6
70.88184	0.5
71.43935	0.9
72.62463	0.5
72.99294	1.4
75.00872	64.4
76.01175	0.7
78.95911	0.8
81.03426	0.9
83.05016	1.0
93.54741	0.5
96.96014	9.2
96.96965	0.7
97.02997	0.7
99.04520	100.0
99.22345	0.5
100.04865	1.8
107.05119	0.6
114.61870	0.5
121.02959	14.0
133.06610	1.0
137.09749	1.6
146.69740	0.7
147.04520	7.3
171.10271	1.1
235.11154	0.6
238.57884	0.5
265.05005	0.5
291.19455	0.6
317.19016	0.9
322.41956	0.6
323.16522	0.7
335.20578	0.5
361.18054	4.2
379.19104	1.1
406.18704	0.6
473.22565	0.6
493.25864	1.7
523.23297	11.5
524.23621	1.3
543.23871	0.9
555.26263	2.0
577.24432	4.0
605.27588	5.5
606.27612	1.2
637.30249	3.5
638.30566	0.7
681.29120	15.2
682.29230	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	681.269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38742	1.4
59.01378	100.0
61.98829	71.2
63.99228	1.8
71.01367	6.7
72.99303	1.7
73.02959	3.8
75.00863	1.9
85.02943	9.2
87.00855	1.7
88.98819	2.4
99.00861	4.0
99.04528	8.5
101.02456	3.0
113.02479	2.4
121.02956	58.5
122.03256	2.6
147.04536	18.8
148.04861	2.4
167.07156	2.2
175.26985	1.7
183.08148	1.8
533.03680	2.0
574.27130	5.0
584.45880	1.9
591.27875	3.1
637.26196	3.5
663.28552	2.3
681.25415	19.4
682.32397	5.4
700.01501	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	681.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01720	0.6
61.98829	8.8
62.21833	0.3
66.10681	0.3
71.01396	0.8
72.99346	0.4
85.02951	0.4
87.00888	1.1
94.39707	0.4
96.96024	1.4
99.00872	2.6
99.04533	0.9
121.02992	0.8
147.04498	2.5
185.23355	0.3
210.09698	0.4
210.93837	0.4
273.45920	0.4
429.26660	1.6
441.26755	0.4
471.27515	13.6
517.22644	0.6
575.27594	0.5
619.28766	0.7
621.26654	2.0
639.33466	1.0
681.35266	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85213	0.9
59.01379	4.7
60.61337	1.0
61.98827	7.6
70.63258	0.9
83.85243	1.1
84.13685	1.0
90.56524	1.0
93.17167	0.9
96.96011	1.3
98.19878	3.0
98.20593	5.2
106.06606	1.2
119.46136	0.9
120.04562	2.0
121.02930	0.9
132.04559	1.0
147.04469	1.7
154.28600	1.0
171.10233	5.1
190.05154	1.0
209.10867	1.4
210.07922	1.0
211.07156	1.0
211.08838	7.6
223.05074	1.2
223.08652	1.6
237.06718	6.2
237.10304	4.7
238.07332	2.2
239.08267	1.5
239.11852	1.9
265.10010	1.2
269.09286	2.3
283.56601	1.1
291.19766	3.0
344.13916	1.1
401.10443	1.0
417.04169	1.1
447.18213	1.2
459.14944	2.1
460.15088	1.6
461.15863	2.4
475.17801	5.0
476.17749	1.6
489.15698	3.8
503.17178	11.7
504.17923	1.5
505.18781	1.7
519.16644	1.7
533.18115	1.6
535.20056	2.5
547.16205	8.6
562.18726	1.5
563.19385	6.3
564.19226	1.1
607.21619	1.4
621.23053	3.6
622.24384	1.5
649.23022	70.3
650.23615	24.8
651.24164	3.3
681.25635	100.0
682.25873	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32043	0.6
57.01528	0.6
59.01359	1.0
60.00607	0.5
60.53948	0.6
61.98810	1.6
94.06623	0.7
98.36662	0.6
103.59062	0.6
106.06594	1.6
121.02905	0.8
123.04498	0.9
134.06113	0.9
146.46040	0.6
152.48869	0.7
171.10374	0.8
197.07082	1.3
207.09221	0.8
208.06348	1.4
209.07127	1.7
209.10715	3.0
210.07927	1.7
211.08763	8.7
222.07811	0.9
223.05017	2.0
223.08754	1.4
225.10287	0.6
235.08733	1.2
236.05803	1.3
237.06676	9.6
237.10298	4.0
238.07265	1.6
238.10754	1.2
239.08121	1.6
239.11887	2.7
250.07330	0.7
251.08226	1.3
264.63635	0.7
265.05939	0.8
265.09747	1.8
269.09293	3.1
271.10474	0.7
277.21658	0.8
291.19531	0.7
445.23407	1.5
459.14435	1.3
460.15167	1.2
461.16312	2.9
462.17117	0.9
475.17896	7.5
476.18103	1.9
488.14548	0.7
489.15393	2.9
503.17261	16.3
504.17853	3.4
519.16449	1.9
533.17493	1.1
534.18726	1.0
535.19592	1.2
547.16168	11.8
548.16736	2.9
561.17767	1.0
562.18494	1.9
563.19440	4.5
575.19574	0.9
621.23395	3.7
622.24176	1.3
639.38123	0.7
649.23010	75.2
650.23608	27.3
651.24097	2.5
681.25598	100.0
682.25934	22.0
705.59937	0.7
705.90149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43490	0.7
59.01376	5.8
61.98836	11.6
67.87182	0.8
68.99817	1.7
69.03467	1.2
71.01386	4.8
72.99310	5.7
73.37582	0.8
79.05526	0.9
81.03456	1.4
82.71562	0.9
83.05030	2.3
85.02946	6.8
87.00888	2.6
93.03459	2.6
95.05041	2.3
97.02935	2.7
99.00885	14.1
99.04499	2.4
101.02437	1.8
103.05511	4.0
105.03489	0.8
107.05058	1.9
109.02946	3.0
111.04511	8.6
113.02451	1.8
119.05034	2.8
121.02968	7.9
121.06577	3.0
122.03758	0.9
123.04517	5.0
125.02423	2.9
127.03967	3.9
133.06586	1.4
135.04526	1.8
137.06087	2.3
139.03984	2.4
147.04520	100.0
148.04869	4.1
149.06094	5.9
150.03197	1.1
151.03941	2.5
153.01897	0.9
153.05594	1.0
161.06044	1.8
161.09744	2.1
165.05533	3.6
167.03531	1.6
172.05196	0.9
177.05547	1.7
187.11273	2.4
193.05067	8.0
194.05780	1.6
195.06613	1.0
203.07166	1.3
205.08641	2.3
211.06017	4.0
241.08717	0.9
279.12469	0.9
429.15936	1.0
437.16031	1.8
455.17010	1.7
473.18130	3.1
491.19257	28.7
492.19455	2.9
519.18738	9.4
552.82813	0.9
603.22260	1.6
649.22888	64.7
650.23254	9.8
657.73987	1.2
681.28699	1.4
682.29816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.7
61.98831	100.0
62.98544	0.7
63.99262	1.3
68.99826	1.0
69.03441	0.8
71.01382	4.1
72.99312	3.3
80.91692	0.9
81.03447	1.5
83.05021	1.3
85.02943	5.6
87.00885	1.9
93.03464	2.1
95.05035	3.0
97.02952	1.6
98.19936	1.8
99.00890	9.7
99.04529	4.4
101.02462	2.3
101.06090	1.5
103.05536	1.3
107.05049	1.3
109.02985	1.9
111.04549	5.1
113.02467	1.7
119.05004	1.7
121.02966	9.6
121.06614	2.0
123.04520	4.5
125.02464	2.2
127.04004	3.1
127.77590	0.7
133.06650	0.9
135.04530	1.7
137.06110	1.9
139.04054	1.5
147.04523	61.2
148.04857	2.9
149.06113	3.4
151.04015	2.3
151.07643	1.2
159.04494	0.9
161.06111	1.7
165.05627	2.8
167.03474	1.5
176.04729	1.0
176.75539	0.9
177.05678	0.9
187.07715	1.3
187.11304	1.7
193.05084	4.8
203.06953	0.9
211.06125	2.8
276.98544	0.8
308.92172	1.0
401.00595	0.8
437.16147	1.9
473.18411	2.3
491.19211	23.0
492.19937	2.0
519.18622	9.1
520.19049	1.5
591.76257	1.0
599.29034	2.0
603.22888	1.6
621.23755	1.5
649.22919	51.0
650.23291	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	681.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03430	0.8
59.01373	2.7
61.98828	4.1
67.34615	0.3
68.99812	0.7
69.03446	1.3
71.01380	8.6
72.99313	3.1
73.02917	0.5
74.12070	0.3
74.85323	0.3
75.00864	1.0
79.05523	0.8
81.03455	1.4
83.01385	0.7
83.05027	2.1
83.81874	0.4
85.02950	3.9
87.00878	3.3
88.91425	0.3
93.03452	4.2
95.05024	2.4
97.02955	2.1
97.06563	0.4
98.20290	2.3
99.00876	21.5
99.04517	1.3
100.01213	0.4
101.02441	1.0
103.00383	0.8
103.05526	3.6
105.07137	0.4
106.04248	0.4
107.05009	2.6
108.02200	0.6
108.68318	0.4
109.02926	2.2
109.06584	0.7
111.00871	0.4
111.04523	7.7
113.02455	1.0
117.06940	0.3
119.05001	2.3
121.02953	6.2
121.06594	3.5
122.03710	1.0
123.04543	5.7
123.08224	0.4
125.02429	2.3
125.06055	0.9
127.04003	2.3
131.05048	0.8
133.06573	2.0
134.03754	0.5
135.04526	3.0
137.02399	0.8
137.06064	2.1
139.04025	2.4
143.08710	0.8
145.06577	0.4
147.04517	100.0
148.04842	4.0
149.02486	0.9
149.06076	6.1
150.03255	0.9
151.03992	4.0
151.07693	0.5
153.01875	0.7
153.05554	1.0
155.08678	0.5
157.06564	0.5
159.04494	0.7
159.08144	1.2
161.06073	2.8
161.09741	1.2
163.04039	0.6
163.07642	0.3
165.05576	3.1
167.03468	1.9
167.07143	0.7
169.10165	0.8
171.08171	0.8
173.06013	0.7
174.06786	0.5
175.03999	1.2
175.07587	0.9
176.04785	1.5
177.05550	4.1
177.09248	0.7
178.06041	0.5
179.07152	1.5
185.06067	0.7
185.09705	0.7
187.07616	1.2
187.11281	2.8
189.09164	0.6
191.07201	0.3
193.05037	6.8
194.05836	4.4
195.06593	1.8
199.07642	0.5
203.07152	1.6
205.08704	2.9
211.06041	4.2
213.09261	0.7
215.07126	0.5
215.10825	0.4
217.08829	0.4
219.06627	0.5
223.06067	1.1
229.08693	0.5
229.64589	0.4
231.06583	0.5
231.10257	1.4
243.10396	0.4
251.10777	0.4
279.12527	1.1
309.14911	0.4
315.08679	0.4
325.14346	0.5
337.14566	0.5
361.12701	0.5
367.15536	0.4
369.13605	0.5
381.13425	0.5
401.15976	0.4
407.15158	0.4
411.14352	1.1
413.15967	0.6
417.15851	0.4
425.16330	0.7
429.15314	1.7
437.16083	1.6
438.16623	0.5
447.16803	0.7
455.17075	3.3
473.18103	5.5
474.18518	0.7
488.42722	0.4
491.19211	24.7
492.19446	2.7
501.17661	0.7
519.18604	3.5
520.19128	0.4
577.20905	0.6
585.21490	0.7
603.22717	1.5
621.23474	1.5
649.22852	15.3
650.22864	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	681.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	90.1
59.28107	8.8
61.98823	93.5
63.36810	8.1
71.42506	13.4
75.00854	61.6
92.17985	10.7
99.04512	100.0
135.93338	9.3
171.10236	11.3
255.60565	10.7
277.21695	26.7
430.36002	9.3
445.23523	23.0
515.21045	13.7
649.22955	51.6
681.25262	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	39.7
61.98829	100.0
68.99552	1.6
69.78342	0.8
71.52441	1.0
72.99290	1.0
73.53535	1.0
75.00874	7.0
83.01391	1.0
99.04526	8.0
112.98560	2.2
121.02934	7.0
122.03251	1.7
138.94365	1.0
142.58000	1.0
147.04512	2.4
158.74210	1.0
163.59756	0.9
171.10324	1.1
277.21817	1.5
386.11163	1.1
445.23279	1.6
464.18979	1.1
511.49316	1.1
539.26587	7.6
557.27570	3.2
599.28522	8.9
643.21057	1.2
645.19482	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.2
59.01377	2.6
61.98829	100.0
68.92178	0.2
71.01393	0.8
72.99301	0.7
85.02955	1.2
98.19908	0.7
99.00884	0.7
99.04526	1.0
103.04022	0.6
104.04344	0.3
111.04543	0.5
111.08165	0.3
119.05005	0.2
121.02944	1.7
122.03329	0.3
123.04525	0.3
137.06096	0.3
141.34724	0.2
147.04514	5.3
148.04840	0.2
169.12358	0.4
169.90428	0.3
193.05058	0.3
273.00299	0.3
386.27591	0.3
395.89825	0.2
442.53632	0.3
474.77390	0.3
491.19461	1.1
519.18958	0.5
617.25891	0.9
617.34216	4.3
618.26703	0.5
618.35614	0.3
621.29639	0.6
636.29834	0.3
649.22943	3.5
680.28503	0.9
681.31067	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.01386	6.4
59.28450	0.4
66.81269	0.5
71.01385	5.8
72.99309	2.0
73.02949	9.9
85.02953	5.6
87.00866	6.5
89.02444	4.7
93.03460	0.7
95.05017	0.8
96.96007	3.1
97.02979	0.6
99.00880	2.5
99.04492	0.8
101.02441	2.2
109.02951	1.5
111.04523	1.5
113.02437	1.6
119.03502	100.0
120.03827	2.2
121.02958	4.5
121.06635	0.7
123.04543	2.4
125.02414	1.4
127.03983	1.5
129.01953	2.7
133.02925	1.3
135.04553	1.3
137.06068	0.7
139.07709	0.7
147.03012	2.5
147.04552	0.6
149.02434	1.1
149.06081	2.6
149.09723	0.7
151.03989	1.3
154.01360	0.6
158.03693	0.6
159.08139	0.6
161.04558	1.2
164.05038	0.5
164.07188	0.6
165.05576	1.5
167.03535	1.2
167.07201	0.6
175.03986	0.6
177.02020	0.9
179.05688	0.5
185.09682	0.5
187.07564	0.9
193.05009	3.5
194.05750	0.9
201.11266	0.7
206.08217	0.7
209.11861	0.7
211.06151	1.6
223.04520	1.4
255.03055	0.7
257.13913	2.1
271.02411	1.4
277.11243	0.9
300.02777	1.9
300.05951	0.6
301.03522	0.9
315.08856	1.0
319.14001	1.2
323.11652	1.6
328.02051	0.9
395.14825	0.7
397.13266	0.6
427.17593	1.3
431.17236	1.7
449.18149	1.2
457.18616	1.3
475.19751	10.0
493.20865	12.0
494.21072	1.5
577.22150	0.6
595.23859	7.2
596.24054	0.9
607.27063	0.6
609.14703	1.1
637.13574	1.0
637.24762	1.4
681.23962	35.9
682.24426	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	680.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35204	0.1
59.00977	0.1
59.01384	0.3
61.98829	100.0
62.98531	0.2
147.04543	0.4
148.04895	0.1
356.85400	0.1
445.22836	0.1
472.65866	0.1
698.05237	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	680.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91767	0.1
59.01379	1.4
60.01694	0.2
61.98829	100.0
62.89581	0.1
62.98531	0.1
64.01814	0.1
67.31038	0.1
71.01383	0.1
71.52847	0.1
71.53275	0.1
71.99619	0.1
72.99333	0.1
85.02970	0.3
99.04513	0.5
100.04885	0.1
101.02499	0.1
101.06083	0.4
121.02950	2.1
121.03759	0.1
122.03342	0.4
127.39197	0.1
147.04527	1.2
148.04910	0.2
159.00320	0.1
278.05267	0.1
354.60202	0.1
491.19110	0.1
519.18945	0.1
534.26056	0.1
552.27179	0.3
558.16467	0.1
558.25195	0.1
569.64008	0.1
594.26935	0.1
618.28046	0.3
619.28918	0.1
636.29205	0.3
637.30212	0.2
638.27423	0.2
649.22302	0.4
665.48206	0.1
680.28015	0.6
681.27820	0.1
709.43134	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	679.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	30.8
61.98828	100.0
63.56466	25.0
70.53415	61.8
70.53747	25.8
78.95917	33.0
98.20624	24.5
110.40125	24.4
115.29153	29.9
126.43513	25.7
128.12843	24.6
172.25479	25.1
204.68152	24.8
209.03035	29.1
230.23613	26.5
230.29938	24.8
600.89880	25.4
699.46332	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	680.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84550	0.1
58.95342	0.1
59.01379	1.4
60.01722	0.1
61.98830	100.0
62.98533	0.1
75.00872	0.1
85.02960	0.3
86.22718	0.1
98.20668	0.3
99.04524	0.5
101.06105	0.3
121.02951	1.5
122.03304	0.3
131.64343	0.1
138.03532	0.2
147.04553	1.0
154.35957	0.1
292.38412	0.1
429.86740	0.1
466.97156	0.1
469.99081	0.1
636.28760	0.3
638.26526	0.2
649.23560	0.4
680.29492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40654	0.1
55.19857	0.2
59.01382	3.1
61.98831	100.0
62.98553	0.3
63.99245	0.2
71.01378	0.4
71.53789	0.2
73.02935	0.2
75.00869	0.4
83.05030	0.4
85.02963	0.7
87.04508	0.9
92.96393	0.1
95.73235	0.1
95.79449	0.1
96.96034	0.3
97.06596	0.2
99.04523	4.7
101.06136	0.3
109.91632	0.2
111.04577	0.2
113.02508	0.2
121.02961	0.8
125.37480	0.1
141.05614	0.2
145.89546	0.2
147.04585	0.3
170.59491	0.2
171.38058	0.2
209.11780	0.2
220.25456	0.2
270.75031	0.2
286.68991	0.2
490.21515	0.2
531.26178	0.2
532.23071	0.2
580.28577	0.2
598.30334	2.4
599.30695	0.3
617.25671	0.8
620.75995	0.2
680.32068	0.4
681.33337	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03443	4.0
59.01379	23.0
61.98826	5.1
69.69476	4.1
71.01380	20.3
72.99317	1.5
73.02943	5.2
79.13873	0.6
80.10142	0.8
83.01354	2.4
85.02465	1.2
85.02950	18.7
87.00866	2.6
87.04485	2.8
88.23824	0.6
88.98804	1.1
89.02438	10.4
95.01363	1.8
96.95992	1.9
99.00887	2.3
99.04508	2.7
101.02441	14.5
103.04011	27.7
113.02453	9.3
115.00374	0.7
116.92890	0.8
119.03507	4.1
123.04518	1.0
129.01918	1.0
131.03423	1.2
133.01442	0.7
135.04521	1.1
143.03452	0.9
148.05281	0.9
150.03183	0.7
151.56705	0.8
159.03006	0.9
161.04652	1.3
168.44679	0.7
171.10231	0.8
179.05663	1.0
205.12172	0.9
209.11841	0.9
265.09256	16.2
266.09781	0.7
269.17474	0.8
293.17780	1.0
327.21957	1.0
413.21652	3.4
431.22742	4.6
455.22491	2.0
486.33621	0.9
499.23935	0.9
532.77734	0.8
679.31842	100.0
680.32227	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	679.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31338	0.6
57.03417	1.2
59.01380	46.0
61.98832	5.8
63.40466	0.6
67.42329	0.6
70.54969	1.6
70.55302	0.9
71.01363	2.6
72.99313	5.2
73.02931	1.1
79.05531	2.0
81.03466	1.5
83.05006	4.1
85.02942	1.9
87.00876	1.4
95.05015	2.3
97.06567	1.1
99.04521	37.5
100.04845	0.8
101.02444	1.1
103.00368	3.2
107.05039	3.8
109.06574	1.3
111.04517	3.3
115.00377	1.2
123.04533	0.7
125.06077	1.6
127.03983	3.1
131.07184	0.8
133.01434	2.6
133.06537	0.7
135.04530	2.3
135.08128	2.5
137.06073	1.4
141.05568	1.2
147.08150	0.9
152.93546	0.6
159.08176	4.1
163.07632	1.1
167.07077	2.2
175.07529	1.3
185.09763	0.8
199.11235	1.0
201.09164	0.9
241.12347	1.0
243.13831	1.6
245.11823	1.0
271.13351	1.0
287.12903	0.7
289.08487	0.8
327.15759	0.8
329.14169	1.1
338.16922	0.6
345.17044	0.7
361.20456	1.0
371.18561	2.7
387.18060	5.7
413.19482	1.6
431.20813	1.3
443.24295	0.8
469.22440	3.3
471.23929	7.4
472.24185	0.7
487.19232	0.8
505.20737	1.0
513.24829	2.6
541.23834	0.9
559.26068	0.9
587.24896	1.8
601.26074	1.2
614.47345	0.8
619.27551	10.3
620.27863	1.2
679.29663	100.0
680.29968	21.7
692.81116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	34.0
60.01719	0.9
61.98831	100.0
62.98203	0.9
68.99809	2.0
71.01389	5.6
72.99281	1.4
73.02947	4.0
75.00882	1.1
81.03467	1.7
83.05026	1.9
85.02937	2.8
87.00879	1.2
88.98795	2.5
95.05034	1.3
96.96001	2.1
99.04529	12.8
100.04851	1.7
100.06740	1.0
101.02465	1.4
101.06100	1.7
107.04997	1.7
111.00826	1.0
111.04510	2.5
116.92946	1.4
119.04976	1.7
121.02959	58.2
121.06587	1.8
122.03316	1.5
127.04050	1.2
135.04539	1.6
137.06052	1.7
145.06541	1.1
147.04527	49.5
148.05042	3.1
149.05971	1.9
157.06505	1.0
161.06007	1.2
165.05525	1.2
171.10242	1.2
185.09795	1.3
205.08673	1.8
206.09094	1.2
211.13321	1.0
232.50359	1.0
456.20618	1.1
497.23538	2.0
499.19696	1.5
513.21021	1.9
515.23804	4.3
527.22308	1.1
533.25397	8.7
534.25879	1.5
551.26208	3.4
555.24121	1.0
557.25171	2.0
575.26514	3.6
593.27161	2.7
615.28442	1.8
616.28461	46.9
617.27911	10.9
618.28174	1.5
619.25397	2.3
619.34595	4.8
635.28546	43.0
636.29077	5.7
647.27502	6.2
661.26678	3.8
679.27271	25.1
680.27966	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	679.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27525	0.5
59.01379	100.0
61.08350	0.5
61.98831	20.9
63.99259	0.8
71.01361	0.8
71.52816	0.5
83.05028	2.2
85.02981	0.8
93.03456	0.7
94.98083	0.5
96.96023	0.7
99.04532	0.9
107.05042	0.6
109.06564	0.8
111.04513	0.8
121.02955	70.6
122.03286	2.1
135.04567	0.6
147.04536	1.9
150.32343	0.5
159.19768	0.5
163.96667	0.5
173.09709	0.7
393.20636	0.7
453.22748	0.9
517.20166	0.6
531.22150	0.5
549.24976	6.3
550.25153	0.9
557.25049	0.8
575.26569	2.8
593.27094	1.8
616.31317	0.7
647.25220	0.8
679.27582	34.0
680.27856	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	679.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37579	6.4
56.77508	5.2
57.13698	5.6
59.01376	100.0
61.98833	98.0
67.64120	6.1
77.82422	7.1
93.22272	7.5
96.96989	10.0
98.20791	13.5
99.04515	10.5
117.02057	6.2
119.56733	6.0
121.02962	11.1
144.91582	6.6
152.99538	10.8
182.39635	6.9
594.27991	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	679.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69011	0.3
52.17654	0.3
53.59054	0.3
59.01381	100.0
60.01704	0.8
61.98830	7.4
63.99253	0.5
64.76450	0.3
67.69736	0.3
71.01393	0.6
78.06798	0.3
83.05040	2.0
85.02959	1.3
88.98831	0.4
93.03464	0.4
99.03999	0.3
99.04527	1.8
101.70032	0.3
107.98123	0.3
109.06596	1.3
111.04491	0.6
111.33502	0.3
121.02959	73.5
122.03307	1.8
133.06587	0.4
137.06055	0.3
147.04538	0.9
161.06039	0.4
161.09715	0.7
217.12276	0.5
255.13956	0.3
283.86670	0.3
321.14981	0.7
349.18109	0.4
367.19299	0.4
375.19980	0.4
393.20673	1.2
427.21240	0.4
453.22794	0.7
455.20599	0.3
460.94492	0.3
461.23141	0.7
476.81155	0.3
493.22464	0.3
511.35013	0.4
515.23932	0.6
521.25391	0.4
547.27167	0.3
549.24866	6.1
550.25171	0.6
557.25427	0.9
575.26129	2.8
577.24164	0.6
590.13934	0.3
593.27710	1.9
619.25250	0.5
679.27539	32.4
680.27765	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	678.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54041	0.2
57.72347	0.2
59.01378	1.0
61.71129	0.2
61.98829	100.0
62.98524	0.3
67.21317	0.2
78.95916	0.2
98.19876	0.5
108.32205	0.2
108.52959	0.2
111.35740	0.2
147.04585	0.4
148.04852	0.3
176.53896	0.2
229.33926	0.3
257.11978	0.9
344.17029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01382	14.3
60.01707	0.4
61.98832	100.0
62.43907	0.3
69.14990	0.3
71.01379	1.9
72.99332	0.8
73.02930	0.4
75.03004	0.4
83.01401	0.4
83.05044	0.8
84.02166	0.3
85.02953	2.4
87.00915	0.3
88.98823	1.3
93.03452	0.8
96.96014	3.6
98.19911	1.0
99.00900	1.5
99.04523	8.9
100.04900	0.5
101.02465	1.5
107.05039	0.4
111.04549	1.4
113.02463	0.4
119.05042	0.4
121.02950	2.1
127.03962	0.3
134.04747	0.4
135.04510	0.4
147.04597	0.9
159.08151	0.5
162.19739	0.3
169.12364	1.1
170.12694	0.4
171.10289	0.4
178.06433	0.6
201.09377	0.4
201.11296	0.5
209.11864	1.0
210.12190	0.5
224.63814	0.3
260.84467	0.3
295.15512	0.5
359.21924	0.3
361.20139	0.7
387.17874	0.4
387.22458	0.4
490.21716	0.4
495.40445	0.4
511.26703	0.5
529.28363	1.4
530.29010	0.4
537.25177	1.3
555.26379	1.0
556.26813	0.6
558.25659	0.5
573.27094	2.8
574.25250	0.5
579.26202	1.0
588.04980	0.4
597.27106	1.8
600.26544	1.0
615.28113	29.9
616.28442	3.6
618.26453	2.5
634.32117	0.4
660.33508	1.4
678.32391	1.1
679.30548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.1
60.01725	0.8
60.58281	0.9
61.98829	75.7
65.41657	0.8
68.99809	4.1
71.01379	5.4
71.53866	1.0
73.02920	1.2
79.90031	0.7
81.03458	0.8
83.05016	1.9
85.02939	2.0
88.98792	1.3
96.95979	0.9
99.04516	16.3
101.06090	5.7
107.05038	1.3
111.04486	2.1
119.04993	1.0
121.02953	6.8
127.03917	0.8
135.04507	2.6
141.05595	1.2
147.04509	7.3
148.05241	3.3
149.06038	2.8
165.05600	1.4
177.09247	1.7
191.07072	1.1
203.10674	1.1
205.08664	5.6
263.81055	0.8
270.16840	0.9
275.44955	0.8
445.22394	1.1
455.20782	2.7
457.18890	1.2
473.21689	1.0
483.20059	2.3
487.23108	1.0
492.19815	1.2
501.21265	4.0
515.22919	4.8
533.24768	1.6
583.25549	3.0
615.28064	100.0
616.28326	14.8
635.28546	4.4
646.27173	3.0
678.31653	2.5
679.28101	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	677.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69518	0.9
57.03446	1.9
59.01381	1.4
61.98824	4.1
71.44889	1.0
78.95901	3.7
84.08134	1.0
95.05053	1.2
101.54393	1.0
122.60520	1.0
139.73299	1.1
152.99542	1.5
153.12874	1.1
163.38869	1.0
172.42851	1.1
179.03203	1.0
182.64058	0.9
190.38374	1.1
247.20668	23.4
249.22224	40.6
250.22644	3.8
265.21713	1.7
273.18628	6.3
291.16876	0.8
291.19632	21.3
292.19995	1.3
293.21234	16.9
294.21481	2.4
309.17844	0.8
309.20688	43.9
310.20996	3.1
311.22260	48.5
312.22595	2.8
383.24359	13.7
385.25970	12.5
677.46350	100.0
678.46710	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	678.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08082	0.1
58.87277	0.1
59.01373	0.3
60.71238	0.1
61.98831	100.0
62.98534	0.2
73.27626	0.1
77.73167	0.1
85.02948	0.2
91.13331	0.1
99.04523	0.3
104.76932	0.1
118.95983	0.1
121.02933	0.8
147.04570	0.2
147.80261	0.1
175.12505	0.2
305.10297	0.1
437.68686	0.1
443.41656	0.1
597.28320	0.2
633.50342	0.2
634.46735	0.2
679.28827	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.0
60.01739	0.3
61.98831	100.0
67.87894	0.2
69.15624	2.1
71.01385	0.5
81.03458	0.4
85.02966	0.6
87.04528	0.4
97.06613	0.2
99.04527	1.8
101.06080	3.7
121.02950	3.2
122.03285	0.5
131.04985	0.2
133.06607	0.5
146.85796	0.2
147.04552	1.5
187.11188	0.2
192.55345	0.2
207.10597	0.2
303.23199	0.2
401.23495	1.3
427.21545	0.6
445.22238	1.4
487.23386	1.5
519.29669	0.4
550.24780	0.3
571.28973	1.1
576.33044	0.3
592.26227	1.1
615.17969	0.5
615.28015	10.8
616.28473	1.5
634.28760	0.3
646.27600	1.0
661.27081	0.3
678.31128	1.0
679.29114	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88820	0.2
59.01380	1.3
61.98829	100.0
62.98541	0.2
70.37630	0.5
70.37979	0.2
99.04546	0.7
121.02953	1.9
122.03344	0.3
147.04477	1.4
148.04871	0.4
161.28262	0.1
178.80968	0.2
199.07480	0.2
201.91164	0.1
202.00262	0.2
203.07169	0.2
273.52780	0.1
332.56897	0.2
374.78683	0.2
592.26672	0.7
597.26819	0.2
634.27979	0.3
636.25226	0.3
646.28949	0.1
678.26990	0.6
679.29572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63612	0.2
53.08221	0.2
56.25385	0.2
59.01381	1.6
61.98829	100.0
71.01403	0.3
72.99317	0.9
85.02967	0.5
98.20672	0.4
99.04497	1.4
116.92866	0.3
119.42635	0.2
121.02973	0.6
122.37469	0.2
125.36100	0.2
130.67604	0.2
134.04742	0.2
147.04517	0.5
155.18346	0.2
160.63731	0.2
171.10339	0.2
209.11827	0.3
464.23578	0.2
553.36670	0.2
615.28119	1.2
616.28894	0.3
634.27570	0.3
637.32861	0.4
679.28644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01379	50.3
60.01705	0.7
61.98830	100.0
62.60435	0.5
62.98534	0.7
63.99269	0.6
66.56770	0.5
69.03466	1.2
71.01384	1.5
71.53262	0.6
75.00911	0.6
79.05495	0.6
83.05025	1.9
85.02951	1.0
87.00869	1.2
87.04496	1.2
88.04883	0.7
97.02974	0.5
99.00888	1.1
99.04518	43.6
100.04855	1.3
101.06092	1.6
103.05537	1.3
107.05038	1.0
109.06612	4.0
111.04512	1.0
119.05000	0.7
121.02957	8.5
133.06606	0.9
135.04507	1.5
147.04520	34.3
147.08231	0.8
148.04890	1.9
149.06061	0.8
161.09753	0.6
171.10248	1.5
175.07674	0.7
179.57158	0.5
189.09146	0.7
209.11723	1.3
367.19540	0.6
382.59445	0.5
443.24243	2.4
455.24173	0.9
461.25168	2.2
469.25848	0.6
485.21439	1.1
497.29477	0.9
511.23236	0.8
513.24799	1.8
525.28625	4.6
529.20764	12.0
530.21210	2.5
531.23285	1.0
543.25293	1.3
549.24634	1.4
553.24432	0.9
555.25861	1.0
557.31091	6.5
558.31744	0.9
575.32202	10.4
576.32050	1.5
585.30298	1.5
591.25830	4.6
592.25763	0.8
595.26044	0.8
613.25891	1.7
615.27325	2.0
617.33917	3.0
633.26709	1.4
645.27155	7.9
646.27100	1.5
677.25745	34.1
678.25983	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	677.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01723	0.9
61.98833	4.8
64.37946	0.3
68.89425	0.2
71.01383	0.9
73.02963	0.4
73.86463	0.2
78.95904	1.4
83.01406	0.3
85.02966	0.3
87.91605	0.3
89.02450	1.3
98.20763	0.6
101.02455	0.8
113.02432	0.5
119.03499	0.4
123.68446	0.3
125.02530	0.3
131.56573	0.3
139.08440	0.3
143.03529	0.4
147.04517	2.2
152.99615	0.7
157.29805	0.2
161.04639	0.3
189.92500	0.3
198.78940	0.3
209.11737	0.5
222.02380	0.3
259.51950	0.3
277.21759	1.8
277.24567	0.3
278.22006	1.3
279.22388	0.3
397.13657	0.5
398.13983	1.1
399.14282	1.2
416.15521	0.4
417.15372	0.5
677.36908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3169
Annotation	Junceol D
Peak:m/z	Relative Intensity
50.36390	0.6
55.01875	1.1
57.44919	0.6
59.01378	20.5
61.98832	21.9
69.76777	3.7
71.01382	1.4
72.99318	1.6
73.02943	5.8
73.04211	0.6
75.00874	20.4
78.95946	0.8
79.05540	2.2
83.05045	1.2
85.02959	4.6
93.03439	1.6
97.02925	0.8
97.06602	0.7
99.00881	1.2
99.04519	23.9
107.05022	0.6
108.02197	0.6
109.02984	0.7
109.06567	0.6
111.04498	3.0
121.02969	6.8
121.06577	1.1
122.03275	0.9
123.04506	0.9
125.06094	1.9
129.01932	0.7
133.10246	1.0
135.04578	0.8
145.06607	0.9
147.04526	11.6
147.08153	0.8
149.06039	1.2
153.05553	2.9
153.09529	0.6
159.08208	0.9
160.84206	2.2
161.06119	0.7
161.09695	1.9
162.83899	4.0
163.11270	0.7
171.81882	0.7
173.09700	0.8
177.05588	0.7
187.11397	0.8
189.09177	0.9
193.05048	1.0
209.11832	1.0
215.14345	1.3
245.08209	1.5
246.08459	1.5
255.17593	0.7
347.22226	6.8
373.20154	2.6
389.24500	0.7
403.21442	1.0
411.25253	0.8
429.26572	1.9
437.23190	1.3
455.24240	7.2
473.25433	6.9
511.23364	2.4
601.27869	1.2
603.26379	0.9
617.28943	1.2
633.29712	1.0
635.30682	25.2
636.31146	3.3
645.26691	1.2
649.26740	1.5
677.31775	100.0
678.19153	1.1
678.32068	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	677.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62583	1.3
57.03446	4.0
59.01377	50.1
60.01741	1.3
61.98828	100.0
69.03431	1.4
70.63964	4.4
71.01380	30.0
72.99293	2.9
73.02942	3.5
73.91282	1.2
79.05509	1.6
83.05035	2.7
85.02949	3.3
88.98841	1.4
89.02444	1.9
95.05028	1.4
97.02965	1.3
99.00906	1.4
99.04514	54.1
100.04886	2.4
101.02434	2.2
101.06097	1.9
103.03989	2.1
111.04547	2.5
115.03994	1.3
119.05031	1.7
121.02954	24.5
123.04501	2.0
125.02441	2.0
125.06045	1.9
133.06607	1.5
135.08203	1.6
136.52739	1.4
139.41682	1.3
147.04530	17.3
147.08255	1.3
153.05528	1.5
159.08182	2.5
161.09831	3.3
171.10284	5.8
172.92932	1.2
209.10146	1.3
209.11807	6.6
212.13741	1.6
227.12926	1.8
229.14386	2.6
250.72290	1.4
293.00708	1.3
295.13107	1.7
295.15875	2.3
313.12250	1.9
320.14603	1.5
331.13483	5.2
347.16547	3.4
347.22180	1.9
355.19077	1.5
373.20175	3.6
379.15823	3.9
421.16983	1.4
447.21771	2.1
453.26270	2.1
455.24387	8.9
456.24924	2.4
465.23114	2.2
473.25571	5.3
497.25565	5.7
505.26047	1.9
509.25449	22.1
510.25824	3.1
515.26715	5.4
527.19153	1.7
527.26471	29.2
528.26971	4.2
531.23889	2.9
551.26471	25.0
552.26868	2.9
555.25104	2.3
559.29376	2.8
569.27521	38.5
570.27783	7.0
573.25793	1.5
585.26740	1.7
591.26062	18.7
592.26630	3.7
601.30151	4.4
603.29120	2.1
613.26794	3.8
615.27899	7.7
617.29553	2.8
633.27338	4.7
635.31042	12.4
636.31323	2.2
645.28308	24.9
646.28619	4.1
677.31891	73.2
678.32324	14.8
683.90704	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99086	0.4
55.61691	0.4
56.08611	0.4
58.00599	0.4
59.01380	100.0
60.01722	2.1
61.01796	0.4
61.98827	3.4
65.08231	0.4
69.03461	0.8
69.36021	0.3
71.00054	0.9
71.01386	7.2
72.01744	1.1
72.99310	0.6
73.02952	1.3
73.08217	0.4
76.37435	0.4
78.95908	0.5
83.01401	0.8
84.68219	0.4
85.02960	1.3
87.00880	2.2
89.02442	6.4
90.02807	1.0
95.01413	0.5
97.02982	1.5
98.20398	0.5
99.00906	0.5
99.04577	0.4
101.02450	6.2
102.02795	1.6
103.02834	0.5
106.57726	0.4
113.02459	3.2
114.02763	0.7
119.02812	0.4
119.03484	2.5
120.03838	0.5
121.03988	0.5
125.02464	2.3
126.02863	0.8
143.03561	0.9
144.03838	0.4
147.04524	17.9
148.04907	0.6
152.20407	0.4
161.04645	1.4
162.04936	0.6
179.05681	1.1
180.05803	0.6
235.08215	2.0
236.08705	1.4
237.08809	0.9
253.09320	0.5
277.21698	10.6
278.22034	11.4
278.24869	0.7
279.22388	5.5
287.07986	0.6
306.09076	0.4
397.13580	5.8
398.13806	8.4
399.14001	8.7
415.14542	2.9
416.14896	3.5
417.14966	3.3
420.80759	0.4
451.10013	0.4
585.24847	3.6
617.28156	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01719	0.7
61.98829	8.0
62.37735	0.6
67.01897	2.5
71.01392	0.6
71.52422	0.6
78.31732	0.5
78.95914	1.3
82.39294	0.5
85.02965	1.8
87.04527	2.0
99.04525	1.2
107.64835	0.5
121.02956	3.6
123.04532	0.8
125.02325	0.5
131.05069	0.6
147.04526	30.4
148.04893	0.8
152.99629	0.7
177.05547	0.7
218.23978	0.5
222.51985	0.5
277.21689	0.6
437.05734	0.6
479.20419	0.6
524.58319	0.5
553.24860	1.5
585.25018	4.1
601.27771	0.8
603.25616	0.8
617.27179	2.4
633.30444	1.2
677.29138	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	677.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
57.86555	1.0
59.01380	62.5
60.01709	1.0
61.98831	74.7
69.03456	1.2
71.01379	3.7
72.99313	1.1
73.02954	1.1
75.87128	0.8
76.74673	1.0
83.01398	2.9
83.05037	2.2
85.02957	3.4
87.04528	1.2
89.46708	0.9
93.03475	1.0
95.05006	1.3
95.08376	0.8
95.70937	0.9
96.96034	1.6
97.02984	1.1
97.06587	0.9
98.19925	1.8
99.00877	1.1
99.04518	26.3
101.02469	0.9
101.06084	2.7
103.05535	2.3
107.05010	0.9
109.06590	2.1
111.04504	1.6
113.02505	0.8
115.03992	1.1
119.05020	2.5
121.02950	20.5
121.06608	1.5
122.03252	1.1
127.03976	0.9
129.35483	0.9
133.06612	1.5
133.79321	1.0
135.04488	1.4
145.06607	1.6
147.04523	97.2
148.04895	4.9
149.06050	1.0
149.80563	1.0
161.06036	1.5
161.09694	1.5
171.08279	0.9
171.10248	4.9
187.11243	1.5
199.13364	1.9
201.09245	0.9
209.11864	6.0
215.10741	1.8
227.12878	1.9
265.93124	1.2
337.16623	1.3
415.25491	1.1
443.24295	1.4
461.25262	1.2
491.19199	2.2
497.21777	1.2
501.24652	1.3
515.22858	1.1
525.28796	1.8
529.20721	7.5
531.23572	1.7
543.26251	4.2
549.24756	3.2
557.30896	3.4
559.27136	1.7
573.25507	1.6
575.32031	5.5
591.26062	8.5
614.26422	1.5
615.26709	4.5
617.31372	1.2
633.26849	3.5
645.27045	100.0
646.27429	15.9
677.25848	28.2
678.25989	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	677.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.1
59.01380	100.0
60.01728	1.2
61.98825	20.1
62.87447	0.9
66.77010	1.0
69.15343	4.7
69.15764	5.2
73.02956	1.0
74.99490	0.9
79.05534	1.4
81.03455	4.5
82.80231	0.9
83.05033	5.6
85.02938	3.0
90.70499	0.9
95.05009	2.7
97.02962	1.5
97.06580	1.0
99.04520	44.9
109.06566	2.5
111.04507	3.3
113.06084	1.9
121.02957	56.3
125.06126	1.4
133.06592	2.7
137.06068	1.8
141.05589	11.8
147.04520	9.9
147.08168	1.6
161.09697	1.3
164.14655	0.9
172.68802	1.0
173.09616	1.1
187.11292	1.1
191.10776	1.0
202.49916	1.0
236.08408	2.2
310.64844	1.1
341.13892	1.0
371.18542	1.1
409.19955	1.8
415.17578	1.1
427.21124	3.0
435.21356	1.7
443.24023	2.7
453.22714	2.5
455.20966	2.6
461.25531	1.8
471.23935	1.7
487.22992	1.6
489.24658	1.4
505.25638	5.1
513.24683	2.7
515.23151	1.9
525.28192	3.7
531.24213	7.1
532.25482	1.1
549.24890	8.4
557.23590	1.5
557.31201	5.6
573.24768	5.5
575.24542	5.3
575.32715	7.1
585.23730	2.0
591.25964	47.9
592.26294	8.8
614.27081	2.7
615.27368	5.0
617.25861	10.0
617.46381	1.3
618.26245	1.4
633.27203	10.0
634.27191	2.0
645.26770	1.8
659.24982	2.1
677.26099	4.7
678.27002	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
57.03447	0.8
59.01379	100.0
60.01723	0.8
61.98829	29.3
69.03463	1.3
71.01391	2.4
71.05038	0.7
71.52971	0.7
72.99325	0.7
79.05534	0.8
81.03452	3.6
83.05024	4.6
85.02956	2.5
87.04530	2.9
93.03394	0.8
95.05026	2.7
97.02969	1.6
97.06615	0.8
98.03734	0.6
99.00897	1.1
99.04519	47.6
100.04860	1.6
101.06111	1.8
107.05038	0.8
109.02944	0.8
109.06561	2.8
111.04498	2.9
113.06110	1.9
121.02951	16.7
121.06641	0.7
122.03284	1.0
123.04629	0.6
125.02483	0.7
125.06052	0.6
127.04082	0.7
133.06644	1.6
135.08156	0.7
137.06122	1.8
141.05586	13.1
147.04526	8.4
147.08234	0.7
150.13689	0.6
161.09753	0.7
167.07106	0.8
172.55963	0.6
173.09756	0.7
187.11337	0.9
191.10753	0.8
198.15565	0.5
202.54208	0.7
209.11932	0.7
215.10765	0.9
250.28638	0.6
259.13382	0.8
311.16675	1.9
345.17035	1.3
371.18536	0.7
385.20493	0.6
409.20419	1.1
427.21497	2.5
435.21765	1.0
443.24634	2.1
447.23285	0.6
453.22916	2.2
461.25705	2.0
471.24039	1.4
475.26892	1.0
487.23853	1.2
488.24353	0.6
489.25000	1.4
497.22125	1.0
513.25403	1.8
514.26044	0.7
515.23499	2.4
525.28564	5.1
531.25110	2.2
533.24329	2.1
543.30121	1.8
549.25299	1.6
551.26349	1.0
557.23822	1.8
557.31665	6.0
558.31842	1.2
570.27698	1.0
573.25629	1.3
575.25110	8.7
575.32788	9.5
576.25116	0.7
576.33148	1.1
585.31152	1.0
591.25970	12.7
591.34576	0.9
592.26935	2.5
613.27533	0.8
614.26538	3.8
615.28180	1.7
617.25244	7.4
617.34100	1.9
617.46130	3.3
618.26367	1.4
633.27063	2.8
645.27789	1.1
659.25830	1.0
677.27692	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	677.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.3
58.00580	2.4
59.01380	50.4
60.01669	0.9
71.01381	37.8
72.01694	1.0
72.99306	1.9
73.02928	3.3
75.29302	0.8
83.01383	3.3
85.02459	1.5
85.02953	25.2
87.00868	1.3
89.02439	22.4
91.87877	0.8
93.88202	1.0
94.54082	0.8
95.01374	2.7
96.96000	3.7
99.04514	2.3
101.02442	16.9
103.04012	41.8
104.04331	1.0
104.33062	0.9
113.02453	14.5
119.03508	7.8
131.03485	1.1
136.68898	0.9
143.03500	2.2
145.05034	1.7
148.54279	0.8
161.04538	2.7
161.13324	5.0
179.05588	2.4
187.11293	8.0
205.12354	8.5
229.12212	4.0
246.55215	0.9
247.08252	12.5
247.13416	1.1
248.08028	1.0
249.11298	9.2
265.09268	77.5
266.09610	3.3
335.12433	3.1
351.14554	0.9
411.16611	1.2
420.50589	0.9
429.17221	6.4
430.18359	1.0
453.21545	9.4
497.20203	14.8
498.20566	1.6
553.22321	0.9
587.23230	2.3
633.23981	1.9
633.33710	1.9
677.26575	100.0
678.26917	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	677.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03446	3.7
57.32137	0.3
58.00586	1.7
59.01377	38.0
65.56006	0.4
69.21295	2.0
69.21719	1.5
71.01379	20.8
72.99304	1.6
73.02932	1.1
75.00861	0.5
83.01375	1.7
85.02948	21.3
87.00879	1.6
89.02443	16.9
95.01387	1.6
97.02975	0.5
99.04526	2.4
101.02440	11.0
101.06054	0.4
103.04008	36.1
104.04344	0.4
105.70782	0.4
111.00843	0.4
111.04517	1.0
113.02448	7.2
117.05586	0.6
119.03500	6.5
135.04518	1.1
135.08185	0.4
143.03462	0.9
145.05070	1.0
147.11769	1.0
149.04568	0.5
149.06061	0.5
161.04530	0.8
161.13367	5.1
179.05612	1.1
185.09688	0.4
185.13364	1.4
187.11275	7.8
188.11639	0.4
203.14456	1.2
205.12311	8.5
206.12732	0.5
219.13893	1.1
229.12328	2.7
231.10347	0.5
247.08250	0.9
247.13281	2.0
249.11292	5.8
265.09262	47.9
266.09528	2.7
291.12448	1.7
320.16779	0.4
351.14417	0.6
411.16586	0.5
429.17636	2.4
430.17896	0.5
453.21274	12.6
453.27777	0.6
454.21692	1.5
479.19162	0.8
497.20261	36.4
498.20618	4.0
531.20935	0.5
591.23041	0.7
662.18890	0.4
677.26556	100.0
678.26819	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	677.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21285	1.3
57.03443	3.6
59.01383	36.4
59.01678	1.2
69.44218	8.4
71.01377	21.1
83.01351	2.2
85.02953	21.0
89.02440	14.5
96.96002	3.9
98.20472	5.0
99.04490	2.4
101.02468	9.9
103.04015	32.2
113.02430	5.8
119.03488	4.9
161.13313	5.9
174.80823	1.5
187.11253	7.9
205.12274	7.9
229.12231	2.1
247.08249	1.9
249.11325	6.2
265.09286	44.4
266.09592	3.0
289.11133	6.4
378.04758	1.7
378.10022	1.6
383.86209	1.5
453.15247	1.7
453.21332	15.3
497.20276	36.4
498.20578	3.8
538.02203	1.6
569.65790	1.5
677.26599	100.0
678.26971	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	677.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28985	0.3
55.01876	0.5
56.21418	0.4
57.03449	3.2
58.00583	1.4
59.01379	36.8
60.68252	0.4
68.16840	0.4
71.01377	18.9
72.99295	1.5
73.02931	1.2
83.01392	1.6
83.05029	0.5
85.02947	18.1
87.00879	1.4
89.02442	16.9
95.01374	1.2
97.51742	0.4
98.20656	1.1
99.00858	0.6
99.04533	2.6
101.01807	0.6
101.02440	12.3
103.04012	31.9
109.68696	0.4
111.04547	0.5
113.01727	0.5
113.02448	6.3
117.05554	0.6
119.03493	5.1
125.87210	0.4
131.03535	0.5
143.03490	0.8
145.05067	1.1
147.11743	1.1
148.08904	0.4
153.49265	0.4
161.04543	0.8
161.13356	7.7
179.05551	1.3
185.13309	1.2
187.11305	7.3
203.14436	1.5
205.12332	7.5
219.13841	0.5
229.12323	2.9
229.18921	0.4
231.10492	0.4
247.08231	1.0
247.13382	1.4
249.11284	5.3
261.41724	0.4
265.09271	39.3
266.09634	1.9
291.12369	1.9
307.71774	0.4
405.84363	0.4
411.16821	0.5
429.17459	1.3
442.61588	0.4
453.21298	11.5
454.21439	0.9
497.20294	27.0
498.20520	3.0
515.21179	0.8
531.21014	0.7
587.23846	0.7
591.22571	0.8
677.26556	100.0
678.26978	15.1
678.35480	0.3
678.38959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03430	3.9
58.00590	1.5
59.01377	30.5
63.43166	0.9
70.72496	1.3
70.72808	1.6
71.01378	18.2
72.99285	1.8
78.18591	0.9
83.74326	0.8
85.02947	18.5
87.00871	1.3
89.01943	1.2
89.02444	14.7
99.04506	1.2
101.02435	11.5
103.04005	32.7
113.02455	7.1
119.03481	5.6
125.20866	0.9
135.04370	1.1
161.13402	6.9
179.05702	1.0
181.02933	0.9
185.13269	1.6
187.11281	6.9
203.14410	1.1
205.12256	6.0
229.12328	2.7
247.13239	1.7
249.11340	3.3
265.09268	51.1
266.09641	1.9
429.17783	1.2
453.21231	16.5
472.55173	1.1
497.20276	16.4
498.20816	1.4
536.98083	1.1
677.26550	100.0
678.26978	11.8
678.94794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07148	0.6
54.59039	0.5
59.01380	15.4
61.98829	72.8
69.03440	0.5
69.15237	5.4
71.01389	0.9
83.05030	1.2
85.02981	0.7
93.83009	0.4
95.05079	0.5
98.19942	1.1
99.04522	4.1
103.05550	4.0
107.05040	0.6
107.79038	0.5
109.06585	2.8
111.04539	0.7
119.05031	3.0
121.02962	6.0
121.06676	0.5
128.33838	0.5
133.06590	2.1
135.04567	0.8
135.08208	0.6
137.06030	0.5
147.04520	100.0
148.04840	4.3
149.06105	0.6
161.09726	0.8
166.90735	0.6
171.10284	0.8
186.58171	0.5
187.11334	1.7
209.11667	0.6
215.10716	0.7
272.89359	0.5
425.19507	0.7
443.20844	1.5
473.25409	0.7
485.21799	2.0
529.20728	8.0
530.21100	1.4
575.24225	0.6
585.24451	0.8
633.27454	1.3
635.23871	0.6
645.26965	6.8
646.27875	0.8
659.25293	0.8
677.25848	66.3
678.26208	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	39.2
61.98830	57.5
69.03463	1.5
71.01364	4.1
78.95921	1.9
85.02940	2.3
93.83730	1.2
94.37646	1.1
94.74951	1.2
95.05034	1.2
98.20723	1.7
99.04512	9.9
109.93684	1.1
121.02955	100.0
122.03267	4.1
123.04494	5.2
133.06610	2.7
147.04518	4.0
148.27522	1.4
161.09743	1.5
165.23628	1.2
169.09866	1.3
173.09674	1.6
187.11189	1.5
225.44180	1.2
284.02002	1.3
291.13736	1.3
429.26303	2.5
505.26025	6.8
505.32382	1.4
511.23190	2.4
513.22076	2.0
531.23853	10.9
532.24036	2.0
533.24445	1.4
549.24902	18.9
550.25116	3.2
573.24762	7.0
575.24878	11.6
576.25250	2.2
591.25970	72.9
592.26294	12.9
615.25903	14.5
616.26648	3.7
633.26910	19.2
634.27332	2.6
635.24005	9.4
636.25201	2.0
645.26892	4.8
677.32874	18.1
678.31403	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	677.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29294	1.0
53.75541	0.9
55.54211	0.9
57.03447	2.0
57.17105	0.9
58.00595	2.2
59.01377	54.9
61.98828	2.1
69.43950	3.9
69.44381	3.5
71.01378	32.3
71.81891	1.1
72.99310	2.6
73.02941	6.5
83.01366	3.8
83.39130	0.9
85.02949	15.4
87.00883	1.5
89.02443	27.9
95.01389	3.4
96.96003	4.0
97.02934	1.2
98.19956	2.2
99.04520	5.2
101.02448	16.8
103.04009	12.3
107.04987	2.1
111.04473	1.0
113.02450	12.0
113.75889	1.0
115.03979	1.0
119.03495	13.7
121.19682	1.1
125.02467	1.6
135.04514	2.0
153.03192	1.0
158.52751	0.9
161.04555	2.1
161.13341	14.8
179.05641	7.2
179.06990	1.3
185.13341	2.6
187.11255	12.1
205.12305	25.8
206.12553	1.8
229.12306	10.8
231.10248	2.1
241.12279	1.2
247.08066	2.9
249.11296	41.5
250.11626	2.9
265.09280	23.5
273.11420	1.9
291.12476	3.3
295.43781	1.2
301.16367	1.0
335.12134	1.8
385.18634	2.1
411.16367	1.7
429.17596	100.0
430.18057	8.7
452.28195	1.2
453.17606	4.0
471.18188	1.4
497.19888	5.2
541.41742	1.2
617.20392	1.2
633.23999	4.4
677.26459	27.0
678.26941	4.0
709.27094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	39.2
61.98830	57.5
69.03463	1.5
71.01364	4.1
78.95921	1.9
85.02940	2.3
93.83730	1.2
94.37646	1.1
94.74951	1.2
95.05034	1.2
98.20723	1.7
99.04512	9.9
109.93684	1.1
121.02955	100.0
122.03267	4.1
123.04494	5.2
133.06610	2.7
147.04518	4.0
148.27522	1.4
161.09743	1.5
165.23628	1.2
169.09866	1.3
173.09674	1.6
187.11189	1.5
225.44180	1.2
284.02002	1.3
291.13736	1.3
429.26303	2.5
505.26025	6.8
505.32382	1.4
511.23190	2.4
513.22076	2.0
531.23853	10.9
532.24036	2.0
533.24445	1.4
549.24902	18.9
550.25116	3.2
573.24762	7.0
575.24878	11.6
576.25250	2.2
591.25970	72.9
592.26294	12.9
615.25903	14.5
616.26648	3.7
633.26910	19.2
634.27332	2.6
635.24005	9.4
636.25201	2.0
645.26892	4.8
677.32874	18.1
678.31403	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	677.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.6
57.03840	1.9
58.00587	3.7
59.01380	90.9
59.56289	1.7
62.89577	1.8
69.27924	8.6
69.28358	6.9
71.01380	52.6
72.99316	3.9
73.02942	12.9
73.62576	1.7
78.72332	1.8
79.05505	2.8
83.01401	5.3
84.98057	1.7
85.02937	11.2
87.00854	2.9
89.02446	50.0
95.01359	3.7
97.02971	2.8
99.04532	9.4
101.02444	35.3
102.02730	2.2
107.05022	1.9
111.04543	2.3
113.02438	24.2
115.04008	5.6
119.03503	23.0
131.03531	2.9
135.04520	2.4
143.03487	8.2
149.04559	2.5
157.06535	3.1
159.08180	2.2
159.11841	2.7
161.04549	10.3
161.09702	2.1
161.13364	30.3
169.10197	2.7
171.08173	2.0
179.05634	23.9
185.09720	3.1
185.13324	4.8
187.11256	61.0
188.11504	3.1
203.05678	3.3
203.14415	2.9
205.12320	58.8
206.12648	2.4
229.12340	21.7
230.12759	2.5
231.10252	3.8
247.13350	8.1
249.11305	81.4
250.11647	7.3
265.09265	4.3
273.11105	2.1
291.12424	3.2
321.13110	1.9
351.14325	5.1
385.18698	14.8
396.99820	2.1
411.16599	11.6
429.17599	100.0
430.18149	9.2
453.17566	14.4
471.18741	2.2
584.83649	2.5
633.23944	19.3
634.23895	2.7
677.25586	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	677.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.6
59.01380	89.3
69.01513	1.8
69.16831	15.9
71.01382	50.7
72.99297	3.5
73.02948	13.6
81.07104	2.0
82.45110	1.6
83.01385	3.6
85.02937	16.6
87.00863	2.2
89.02439	49.0
94.13241	1.6
95.01346	4.3
95.05038	2.6
98.92129	1.7
99.04507	6.2
101.02446	29.6
103.03996	9.2
108.75732	1.5
111.04522	3.4
113.02451	19.8
118.48766	1.8
119.03499	21.8
120.05762	1.9
135.04514	2.3
143.03510	6.1
146.77354	1.8
159.17397	2.0
161.04533	5.0
161.13356	18.2
171.08151	1.8
179.05566	15.6
185.09645	2.3
185.13374	2.4
187.11264	36.6
188.11549	2.3
205.12312	50.2
205.74052	2.3
206.12636	2.6
229.10371	2.1
229.12283	12.3
231.10338	2.3
235.33032	1.7
247.13388	4.0
249.11316	78.2
250.11580	3.9
265.09213	14.6
284.30423	2.0
291.12289	4.2
351.14499	4.0
385.18567	6.7
411.16507	6.9
429.17603	100.0
430.17828	8.0
453.17432	17.7
497.20233	5.5
633.23895	25.7
634.24780	2.0
643.90875	2.0
677.26660	18.5
677.77454	2.0
705.24335	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	676.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.5
61.98830	100.0
71.01409	0.2
75.00897	0.4
76.06175	0.2
85.02968	0.5
87.00898	0.2
99.04524	2.7
116.77309	0.2
121.02946	1.9
141.87129	0.2
147.04517	1.5
190.91473	0.2
245.11986	0.2
313.43793	0.2
339.46994	0.2
366.32986	0.2
371.44781	0.2
401.23218	0.3
486.22415	0.3
527.26489	0.6
568.26654	0.3
569.27478	0.4
613.26575	2.8
614.27405	0.6
631.99615	0.2
645.27631	0.6
676.29626	1.2
677.27997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
61.98830	100.0
78.95905	0.3
83.57876	0.2
92.75866	0.2
96.81811	0.2
99.04535	1.9
121.02939	1.4
122.03300	0.4
147.04497	0.4
154.89455	0.2
174.21567	0.2
227.10713	0.3
318.87308	0.2
397.03738	0.2
413.23465	0.8
539.26709	0.6
571.29034	2.1
602.22235	0.3
613.30200	8.4
614.30310	1.2
640.68286	0.2
676.29468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01098	0.2
59.01381	3.4
61.98833	100.0
99.04520	2.6
101.06089	0.5
111.04507	0.3
121.02998	0.2
123.04532	0.2
132.50975	0.2
141.07129	0.7
145.06612	0.4
147.04532	1.1
147.08192	0.3
155.08698	0.2
171.04544	0.2
183.04506	0.2
184.05290	0.4
197.77589	0.2
220.63113	0.2
227.10825	0.8
259.13422	0.7
374.39853	0.2
384.16150	0.2
413.23526	0.4
502.30862	0.2
514.26855	0.4
541.28229	0.4
546.29773	0.4
555.27618	0.2
556.28009	0.6
571.29077	5.1
572.29297	0.6
588.30847	0.3
600.27295	0.8
613.30164	14.1
614.30603	2.5
632.30090	0.6
644.26270	0.5
676.28033	3.1
677.31049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88243	0.1
59.01377	3.9
60.01685	0.1
61.98829	100.0
70.90332	0.2
70.90636	0.1
71.01391	0.3
72.99326	0.2
73.02914	0.1
74.16908	0.1
75.00918	0.1
83.05043	0.2
85.02959	0.4
88.98845	0.1
93.03452	0.2
99.00905	0.3
99.04523	1.9
101.06087	0.4
111.04560	0.2
119.05067	0.1
121.02960	1.1
121.06594	0.1
123.04514	0.2
129.06079	0.1
133.06595	0.3
137.75832	0.1
141.05579	0.2
147.04523	4.5
147.05670	0.2
159.08228	0.2
161.09737	0.2
187.11305	0.2
193.05130	0.2
209.11897	0.2
211.13498	0.1
215.10802	0.1
248.70680	0.1
275.27332	0.1
284.87228	0.1
401.23111	0.5
419.89249	0.1
427.21326	0.3
431.24426	0.5
445.22305	0.8
485.22171	0.2
487.23505	0.7
491.19360	0.4
503.23059	0.5
513.28357	0.1
529.20959	0.3
569.28119	0.2
572.28632	0.2
575.25244	0.2
585.25616	0.2
613.26556	3.6
613.36401	0.2
614.27020	0.7
616.27875	0.2
635.25397	0.2
641.29504	0.6
644.25311	0.2
645.27155	0.9
659.24908	0.3
676.28583	0.1
677.25641	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40723	0.1
59.01378	2.5
61.98829	100.0
69.42804	0.4
69.43229	0.4
71.01402	0.2
73.02947	0.1
85.02957	0.2
91.17975	0.1
98.20565	0.3
99.04535	0.7
101.02458	0.3
101.06061	0.2
107.65469	0.1
109.74464	0.1
121.02950	0.7
136.84442	0.1
147.04471	0.6
169.55962	0.1
209.11877	0.4
210.12198	0.1
211.13499	0.1
221.46312	0.1
341.65100	0.1
445.22424	0.1
556.26569	0.2
574.27728	0.2
613.26526	0.6
616.28601	0.2
644.28992	0.2
676.31122	0.4
677.26727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.3
59.19802	0.2
60.32274	0.2
61.98829	100.0
66.77789	0.2
69.49641	0.2
69.76833	0.2
72.99313	0.3
73.13030	0.2
74.06322	0.2
95.53661	0.2
98.19999	0.8
98.20681	0.4
99.04517	0.8
101.06101	0.4
121.02954	2.9
138.32721	0.2
147.03540	0.2
147.04532	1.2
148.04871	0.4
169.85526	0.2
209.11780	0.3
211.13486	0.2
261.15363	0.2
306.26941	0.2
404.24207	0.2
447.52478	0.2
531.24390	0.5
549.24847	0.4
591.25989	2.9
600.27203	0.4
632.29834	0.4
633.27386	0.4
676.28821	1.2
677.29706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.5
61.98831	100.0
71.01369	0.3
71.41576	0.2
78.94403	0.2
85.02990	0.4
90.27993	0.2
95.82211	0.2
98.20690	0.5
99.04516	4.0
99.05106	0.3
106.70102	0.2
115.69240	0.3
123.97652	0.2
129.94519	0.2
131.90990	0.2
147.04565	0.4
158.03729	0.3
161.06145	0.2
166.73885	0.2
200.72557	0.2
209.11832	0.9
210.12193	0.4
211.12578	0.2
267.14404	0.3
310.14124	0.4
427.21478	0.9
445.22186	0.4
473.29108	4.2
474.29413	0.8
509.25510	0.4
553.24536	2.6
554.25153	0.4
571.25647	1.0
595.25067	1.1
613.26489	21.1
614.27032	3.3
617.28448	0.3
677.32446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88243	0.1
59.01377	3.9
60.01685	0.1
61.98829	100.0
70.90332	0.2
70.90636	0.1
71.01391	0.3
72.99326	0.2
73.02914	0.1
74.16908	0.1
75.00918	0.1
83.05043	0.2
85.02959	0.4
88.98845	0.1
93.03452	0.2
99.00905	0.3
99.04523	1.9
101.06087	0.4
111.04560	0.2
119.05067	0.1
121.02960	1.1
121.06594	0.1
123.04514	0.2
129.06079	0.1
133.06595	0.3
137.75832	0.1
141.05579	0.2
147.04523	4.5
147.05670	0.2
159.08228	0.2
161.09737	0.2
187.11305	0.2
193.05130	0.2
209.11897	0.2
211.13498	0.1
215.10802	0.1
248.70680	0.1
275.27332	0.1
284.87228	0.1
401.23111	0.5
419.89249	0.1
427.21326	0.3
431.24426	0.5
445.22305	0.8
485.22171	0.2
487.23505	0.7
491.19360	0.4
503.23059	0.5
513.28357	0.1
529.20959	0.3
569.28119	0.2
572.28632	0.2
575.25244	0.2
585.25616	0.2
613.26556	3.6
613.36401	0.2
614.27020	0.7
616.27875	0.2
635.25397	0.2
641.29504	0.6
644.25311	0.2
645.27155	0.9
659.24908	0.3
676.28583	0.1
677.25641	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.9
61.98831	100.0
65.22428	0.2
72.99319	1.2
88.98805	0.2
98.00130	0.2
99.04513	1.0
121.02982	0.8
141.07117	0.3
147.04501	1.2
541.08484	0.2
556.28363	0.5
558.25989	0.4
600.27020	0.6
632.29816	0.2
640.13428	0.4
676.28448	1.9
677.27441	0.6
696.29797	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
60.99324	0.2
61.98831	100.0
62.98533	0.2
71.01405	0.2
72.99284	0.2
75.00890	0.3
88.98796	0.7
89.02467	0.1
98.20718	0.3
99.04526	0.6
101.06081	0.3
111.84714	0.1
121.02946	1.4
147.04507	1.2
148.04910	0.5
173.16473	0.1
211.13573	0.2
224.43034	0.1
291.14606	0.1
293.25494	0.1
406.72345	0.1
499.13681	0.1
558.25726	0.2
632.29712	0.1
633.30414	0.2
643.21008	0.1
644.26721	0.3
676.27899	1.0
677.29962	0.6
698.46649	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
57.03450	1.4
58.00594	2.1
59.01379	52.2
60.01705	0.6
61.98827	3.7
62.23767	0.3
67.01872	0.2
68.99811	0.5
69.03455	2.9
70.37193	0.8
71.01381	42.4
72.01721	0.6
72.99310	2.9
73.02948	7.1
75.00878	0.8
78.95912	0.4
81.03461	1.7
83.01385	4.9
83.01881	0.3
83.05042	0.4
85.02951	8.9
86.00123	0.4
87.00874	9.7
87.04532	0.5
88.98828	1.3
89.02444	38.9
90.02785	0.6
91.04015	1.1
93.03454	0.4
95.01389	3.0
95.05054	0.4
97.02948	7.1
98.19952	0.3
99.00890	2.5
99.04510	0.7
101.02442	34.4
102.02784	0.8
103.00396	0.4
103.04037	0.6
109.02962	0.8
110.07473	0.2
111.00842	0.6
111.04523	1.2
113.02451	16.7
113.48447	0.3
114.02760	0.5
115.03992	0.5
119.03498	10.9
120.03772	0.3
121.02973	0.9
123.04543	0.3
124.01659	0.6
125.02449	14.6
126.02831	0.4
127.03996	0.6
127.07669	0.3
129.01944	0.5
131.03502	1.7
133.05063	1.3
133.06619	0.4
137.02489	0.3
139.04036	1.1
141.01917	1.0
143.03488	6.8
145.06631	0.3
147.04503	1.3
149.04565	1.1
151.03967	0.4
157.05061	0.5
159.60556	0.3
161.04556	8.6
162.04912	0.3
167.03508	1.2
169.05031	0.6
171.03084	0.3
171.04492	0.5
179.05612	8.2
180.05963	0.3
180.41986	0.3
185.04538	0.7
199.06042	0.6
203.05592	0.4
217.07089	1.1
219.05080	0.4
221.06622	3.0
233.22818	0.4
235.08214	14.9
236.08511	0.8
245.06664	1.0
253.09308	3.8
259.20728	0.3
263.07605	1.7
277.09326	1.2
277.21704	98.7
278.22031	8.2
287.07706	3.2
291.23328	0.5
305.08749	4.1
323.09717	1.9
361.11423	0.5
379.12589	1.3
397.13489	100.0
398.13837	7.4
415.14557	39.7
416.14853	2.5
427.20956	0.6
599.26801	0.6
631.28906	0.5
675.27844	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54667	1.0
57.03444	4.4
59.01367	3.9
61.98831	3.8
69.30945	8.3
71.05016	1.7
73.51904	1.0
74.86342	1.2
78.15765	1.1
78.95915	11.0
83.05040	3.1
96.96922	1.2
97.06601	1.7
106.04280	1.4
117.30660	1.1
118.80650	1.1
120.81087	0.9
123.08181	1.2
127.37997	1.0
139.11255	1.2
152.99612	5.8
153.12871	1.4
161.71400	1.1
177.16499	2.2
209.11870	6.7
245.19238	1.4
247.20671	42.7
247.23174	2.3
248.21010	2.4
265.21756	2.4
273.18619	9.3
279.23178	6.2
291.19653	46.6
292.20001	2.3
309.20712	90.9
310.21088	6.1
363.11911	1.5
383.24408	26.6
384.24753	2.1
410.70718	1.2
643.36426	4.4
644.36096	1.5
675.44861	100.0
676.45361	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	675.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32703	0.9
55.58281	1.0
59.01381	30.0
61.98829	5.0
71.53423	1.3
78.95908	14.7
96.96986	1.0
112.98561	1.5
113.06019	0.9
125.02441	1.4
126.93816	1.0
145.06570	4.3
147.04527	100.0
148.04848	3.3
152.99634	7.1
171.10229	4.1
199.09753	2.1
207.10321	1.1
211.13231	1.2
238.36446	1.0
275.54105	0.9
277.21719	7.4
344.77115	1.0
354.83502	1.1
381.20859	1.0
395.22073	1.8
397.13257	1.4
413.20856	1.3
415.14185	1.4
423.21826	1.7
571.26837	2.1
585.31378	1.5
597.28479	2.4
615.29578	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	675.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
57.03445	1.1
58.00605	1.7
59.01381	53.5
60.01701	0.3
60.70056	0.2
61.98831	2.6
68.99804	0.5
69.03461	2.5
71.01384	40.4
72.01727	0.5
72.99313	2.5
73.02947	7.6
75.00882	1.1
81.03455	2.4
81.10862	0.2
83.01389	4.6
83.05016	0.5
85.02953	8.7
86.00112	0.4
86.05688	0.3
87.00879	9.3
87.04514	0.4
89.02446	36.8
90.02800	0.4
91.04014	0.7
93.03442	0.6
95.01398	3.0
97.02946	6.9
98.20664	0.6
99.00871	2.2
99.04518	0.6
101.02444	31.6
102.02784	0.6
103.00369	0.3
103.04047	0.4
109.02952	0.7
111.00876	0.9
111.04501	1.1
113.02455	15.9
114.02780	0.3
115.04024	0.8
119.03501	10.3
121.02985	0.7
123.00910	0.4
123.04502	0.4
124.01643	0.5
125.02446	13.9
127.04003	0.4
129.01945	0.5
131.03482	2.0
133.05099	1.1
137.02496	0.3
139.04008	1.0
141.01912	0.6
143.03508	6.4
147.04555	0.5
149.04556	0.9
161.04555	7.6
164.17612	0.2
167.03481	0.8
169.05075	0.8
171.03078	0.4
179.05615	6.2
180.06120	0.3
185.04482	0.7
199.06155	0.4
203.05719	0.3
217.07144	1.1
219.05090	0.5
221.06664	3.0
229.60274	0.3
233.22839	0.6
235.08223	14.6
236.08563	0.7
245.06616	0.9
253.09267	3.9
254.09663	0.4
259.20596	0.5
263.07697	2.0
275.20221	0.8
277.09531	1.1
277.21710	100.0
278.22055	8.4
287.07758	3.6
291.23154	0.3
293.32559	0.3
305.08817	4.3
323.09802	1.8
361.11444	0.6
379.12607	1.3
397.13501	91.0
398.08997	0.5
398.13879	6.1
415.14557	37.1
416.14859	2.4
431.21112	0.3
535.68390	0.3
675.35889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
56.46887	0.8
57.03440	2.1
58.00578	0.9
59.01379	100.0
60.01678	0.9
60.49126	0.8
61.98830	18.9
69.03433	3.8
70.74812	2.5
71.01378	27.1
72.99276	2.4
73.02955	6.1
73.87724	0.9
75.00884	1.3
75.13469	0.8
79.05482	1.1
83.01389	3.8
83.05034	1.1
85.02953	16.8
87.00866	4.2
89.02438	5.1
93.03439	1.7
93.35867	0.9
95.01390	2.8
95.05007	1.7
96.96011	8.7
97.02962	14.1
98.20425	1.2
99.00891	9.2
99.04510	14.4
101.02445	12.2
103.03947	1.2
107.05008	2.4
108.04528	0.9
109.02953	1.0
109.06489	0.8
111.04498	1.5
113.01845	0.9
113.02462	11.1
113.06038	1.1
115.04000	9.9
117.87025	0.9
119.03460	1.6
119.05001	1.8
119.31482	0.9
121.02946	5.9
121.06549	1.5
123.04512	3.9
125.02431	3.1
127.28548	0.8
129.01906	1.3
135.04454	1.4
137.06056	1.7
139.03998	1.6
142.59467	1.0
143.03436	1.2
147.04463	1.0
149.06061	2.7
151.03978	2.2
153.05504	0.9
157.05009	1.0
159.02977	2.9
161.04552	22.3
161.13304	1.4
165.05525	1.5
165.43466	1.0
166.32901	1.1
167.03404	1.5
174.01651	1.1
177.05405	1.3
179.05612	1.3
179.59828	0.9
187.07561	1.1
193.04996	2.2
194.05797	3.7
205.03345	1.1
205.08646	1.5
205.12180	1.1
209.11783	2.9
226.65881	1.0
255.02809	1.3
287.05945	0.9
343.11166	0.9
379.22726	1.0
495.22711	4.3
517.20618	3.7
531.25726	1.5
553.20972	1.0
561.23712	1.3
571.21271	1.8
571.29236	10.3
572.29260	1.7
573.26910	1.1
597.26923	2.0
615.25714	2.0
621.69397	1.0
625.22467	1.1
639.27655	7.6
640.27576	1.4
657.29266	6.5
675.27930	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	675.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01719	0.9
61.19826	0.3
61.98831	7.0
65.28813	0.3
70.91484	0.4
70.91814	0.5
71.01395	1.2
72.99329	0.4
73.02974	0.8
81.03452	0.3
81.98879	0.3
83.01392	0.5
83.05056	1.0
85.02950	1.8
87.00891	0.8
87.04520	0.4
89.02456	0.7
96.96024	1.4
98.20265	0.5
99.00935	1.0
99.04524	7.5
101.02446	0.6
111.04554	0.5
113.02473	0.4
115.92063	0.4
116.92863	3.2
119.03516	0.3
122.06117	0.5
123.04534	0.4
125.88472	0.3
135.04605	0.4
139.04097	0.3
185.11879	0.3
187.11400	0.4
209.11774	1.9
210.12099	1.5
211.13693	0.4
212.05966	0.3
253.09444	0.6
283.10931	0.6
295.15424	0.5
347.78311	0.3
372.48096	0.3
429.26770	0.4
430.27332	0.6
473.25958	0.5
511.27502	0.4
535.25580	0.4
537.24866	1.4
555.25885	7.2
556.26276	0.5
570.34686	0.5
571.34900	2.5
572.35864	0.4
573.27100	11.7
574.27649	1.4
579.25537	1.8
580.26569	0.4
597.26971	7.8
598.27344	0.7
615.27991	3.4
616.28455	0.5
617.30231	0.5
643.24884	0.5
657.26379	0.6
675.18359	0.6
675.30835	4.0
676.29437	0.6
693.26642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23093	0.3
59.01380	100.0
61.98827	1.6
66.73192	0.4
68.81199	0.3
69.41543	2.9
71.01380	0.7
85.02972	1.0
98.19851	0.7
99.00900	0.6
99.04520	6.7
100.04922	0.7
101.06104	1.5
107.94756	0.4
110.01005	0.3
128.03751	0.4
147.08301	0.4
209.11955	1.1
227.36765	0.4
229.14674	0.4
295.15836	0.4
446.63904	0.4
487.24088	0.5
509.26443	0.5
511.27383	1.0
515.26965	0.5
529.27551	0.9
537.24872	1.9
555.25854	6.7
556.27014	0.9
571.28278	1.1
573.27002	11.4
574.27869	1.7
579.25775	2.0
589.29498	0.9
597.26990	8.7
598.27710	1.1
600.38312	0.4
613.29651	0.8
615.27954	4.5
615.35742	0.4
616.28699	0.7
631.29913	0.8
675.29834	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	675.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.7
59.01377	54.7
61.98828	30.3
69.03454	4.8
71.01380	8.4
73.02937	1.7
75.00873	9.6
75.69753	1.2
76.54892	1.1
77.12312	1.2
81.03439	3.3
83.05035	4.7
85.02947	8.5
87.04521	3.0
88.43754	1.2
88.98827	1.4
89.02449	1.4
96.96017	1.8
99.04520	100.0
100.04864	2.1
100.46654	1.2
101.02431	1.6
103.92728	1.2
107.05038	5.4
109.02940	1.3
109.06609	2.9
111.04523	4.5
115.00341	1.4
121.02950	5.8
123.04494	1.7
125.06109	3.5
133.06587	8.2
135.04520	4.6
139.07616	1.7
141.05539	1.7
147.04524	3.2
147.08185	1.5
149.06064	1.6
159.08109	2.7
161.09695	2.9
163.07701	1.8
167.07077	1.6
169.12297	1.9
171.08110	1.6
173.09688	3.8
183.13881	1.9
187.07597	1.5
187.11299	1.9
189.09209	2.2
193.08728	2.0
200.08376	2.9
207.10283	1.8
209.11880	4.8
210.12053	2.6
211.13361	4.6
213.09180	3.4
215.10814	11.7
218.01823	1.3
230.09283	1.6
245.11792	5.8
253.09343	1.4
269.15372	2.7
271.13321	2.1
272.35141	1.7
357.17294	1.8
367.19281	2.1
379.19302	3.5
381.17014	4.1
407.18607	5.1
411.21719	1.9
413.19757	2.1
425.19629	4.0
429.22400	1.9
439.21466	7.0
441.19260	3.3
467.20831	3.7
485.21790	15.9
486.21701	1.4
493.25815	2.2
499.22977	2.1
503.22678	6.2
511.27310	1.3
514.26801	1.4
517.24731	1.5
529.28247	6.2
531.24487	1.5
543.23010	1.5
557.27594	9.4
567.25879	16.0
568.26740	2.8
573.27112	6.9
597.27136	1.6
599.28680	12.2
615.28137	9.2
619.31238	1.8
625.75836	1.3
643.26697	5.7
644.27283	1.7
675.18176	2.0
675.29779	36.6
676.29828	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	675.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.5
59.01379	58.3
61.98830	100.0
71.01366	6.1
71.33414	1.7
73.02928	2.3
78.90367	1.2
78.95864	1.5
81.03469	2.7
83.01430	2.1
83.05032	8.6
84.46316	1.4
85.02949	23.2
87.00854	2.0
87.04521	2.2
87.12563	1.3
88.98779	1.7
89.02454	1.9
93.03458	16.7
96.96014	7.5
97.02938	3.5
97.11699	1.3
98.95593	2.2
99.00859	2.1
99.04523	25.9
101.02426	4.3
106.05024	1.4
109.02984	2.5
109.06554	1.6
110.07144	1.4
111.04524	18.4
113.02410	1.7
114.15701	1.3
119.05001	2.2
121.02959	33.9
125.06053	2.7
127.04002	1.5
129.46089	1.4
135.04504	4.7
135.08174	1.7
137.06039	5.2
147.04512	8.3
153.05577	26.0
161.04492	1.9
163.03944	2.0
163.11241	2.2
169.12332	4.7
171.10158	2.5
173.09705	1.9
179.07080	1.4
183.13794	3.0
189.09140	1.3
193.12369	1.5
197.11803	3.9
197.40343	1.5
201.11331	12.4
209.11838	37.8
210.12105	4.0
211.13379	46.9
212.13600	2.1
223.46436	1.5
225.11250	2.8
227.07115	1.6
227.12910	7.6
228.13083	1.7
235.08177	4.6
253.09273	6.2
309.98898	1.6
411.22525	1.4
427.20502	1.8
445.21075	1.8
447.22238	6.6
469.25830	4.0
503.22778	1.8
511.27020	4.8
513.24683	4.1
531.24091	1.5
541.24274	13.0
553.24683	1.5
555.26227	7.6
559.24542	2.3
565.24286	1.6
571.28400	3.2
573.26990	1.9
583.25690	13.9
597.27411	3.6
613.26385	2.7
615.28009	11.3
616.27484	1.6
626.67505	1.6
631.27307	1.4
631.32739	1.4
643.24915	14.7
644.26416	2.0
657.31403	7.1
660.49622	1.5
675.27917	29.5
676.28259	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.8
59.01381	30.4
61.19679	1.2
61.98828	18.0
68.58489	1.1
71.01349	3.4
71.44907	1.3
71.95267	1.1
72.99290	4.4
75.00864	1.9
78.95900	1.9
79.05528	2.6
82.48361	1.1
83.05036	1.6
83.84525	1.2
85.02950	100.0
86.03251	2.0
87.04465	1.4
88.98807	3.8
97.02953	2.2
98.00091	5.9
98.20180	1.6
99.04517	2.0
101.06084	30.6
111.04505	4.9
113.43537	1.5
115.05527	1.7
119.04980	3.3
121.02954	90.7
121.06558	1.6
122.03264	1.9
130.04216	4.7
131.05035	8.9
133.06569	5.4
135.04491	3.5
143.04982	2.5
143.08719	1.2
145.02928	3.7
145.06628	6.4
147.04512	5.1
155.08591	2.2
157.06552	3.4
159.08110	2.4
160.84227	1.7
161.09732	1.5
171.04489	1.9
171.08185	2.5
173.09718	2.1
175.03949	6.4
177.05597	10.6
183.08131	2.9
186.06845	4.1
189.05588	6.8
191.07140	13.5
199.07645	3.9
201.09357	6.4
209.11797	3.0
211.13330	2.9
213.09152	1.3
245.08171	92.4
246.08492	5.3
273.61490	1.5
335.12659	3.3
357.16989	4.0
392.29321	1.1
411.13235	1.2
411.17932	8.3
427.73080	1.3
453.22653	4.3
471.20184	3.3
477.23163	1.4
555.27686	7.9
571.26947	2.7
573.26971	13.7
599.26447	31.1
600.26373	4.1
609.70721	1.8
615.27655	2.9
631.28979	37.5
632.29010	6.2
643.25336	16.6
644.25409	3.3
646.33545	1.2
675.27905	81.8
676.28412	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	675.2809
Annotation	Henriol D
Peak:m/z	Relative Intensity
54.92585	1.4
59.01377	17.8
61.91963	1.9
61.98835	10.9
71.01378	2.9
73.02969	1.8
78.95904	2.1
82.92857	1.7
85.02951	96.5
86.03284	2.1
88.80827	1.4
88.98783	7.2
89.02428	5.3
93.54549	1.4
98.20688	3.5
99.04513	3.5
119.05008	4.3
121.02956	100.0
130.04219	1.9
133.06593	11.1
145.02914	5.9
145.06522	4.9
147.03389	2.3
147.04523	38.9
152.99521	2.7
157.06516	1.9
161.06010	2.4
161.09711	3.9
171.04514	12.6
185.09743	2.0
199.07610	2.1
213.09155	4.8
340.39825	1.6
383.94797	1.7
427.21283	9.7
428.20801	1.8
445.21616	1.6
557.25446	12.2
558.25293	3.1
599.26489	52.5
600.26953	6.4
631.29150	53.3
632.29504	8.6
643.26233	3.0
675.27911	91.2
676.28021	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	675.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87183	1.1
59.01379	24.2
61.98817	2.5
68.99814	2.5
71.01373	2.2
83.01402	1.3
94.47722	1.2
97.06528	1.5
99.04473	1.5
103.05535	6.8
105.07090	1.8
106.97416	1.4
110.55499	1.2
115.05523	3.5
117.07104	3.2
119.05059	2.3
121.02949	3.7
121.06610	2.1
130.04257	1.2
131.05043	9.7
133.06590	17.4
141.07080	3.6
144.98085	1.2
145.06557	4.1
147.04526	100.0
148.04799	2.2
149.06097	2.9
153.01068	1.2
157.06557	4.5
159.08150	2.0
161.06081	22.1
161.09648	3.1
162.06480	1.4
171.04521	34.0
172.04956	2.1
173.06046	2.7
173.09702	2.7
175.21872	1.2
183.04614	1.4
184.05229	3.5
185.09712	2.5
187.11290	2.2
188.08273	1.4
201.12764	1.3
211.07704	1.5
213.09164	3.6
263.10577	1.2
335.16153	1.5
361.17908	2.1
361.61542	1.3
386.75186	1.2
391.19070	1.8
427.21216	25.2
428.21655	3.3
445.22086	3.6
469.22217	2.1
513.26282	2.6
539.24628	3.1
545.28400	1.9
555.27277	1.8
557.25464	30.4
558.25812	5.6
571.26990	1.8
589.28265	1.7
599.26532	32.4
600.27252	4.3
631.29095	30.6
632.29639	6.8
643.24316	1.9
675.28052	93.5
676.28442	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	675.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
58.24274	0.8
59.01379	59.4
61.98835	5.3
68.99802	2.4
71.01376	3.2
73.02939	2.5
75.00826	0.8
79.05530	1.9
79.20979	1.0
81.03479	1.0
83.05022	2.9
85.02957	2.3
93.03466	1.1
95.04985	1.3
96.16733	0.8
96.95995	0.9
97.06551	4.4
98.00099	8.1
98.20390	5.5
99.04522	10.0
103.05534	1.3
106.43027	0.8
107.05003	1.8
111.04496	2.2
115.05542	10.9
117.03424	1.1
119.05029	2.3
121.02967	8.1
121.06584	2.1
123.04500	1.4
124.05274	1.5
125.06055	2.6
127.03976	2.5
129.07117	2.0
131.05002	1.7
133.06586	2.8
133.10216	2.5
135.04485	1.8
135.08160	1.3
137.06067	1.9
141.07091	16.8
143.05028	11.2
145.06558	3.4
147.04518	40.1
147.08092	2.7
148.04814	1.0
149.06070	1.3
154.06360	1.3
155.08682	8.1
156.05785	1.8
157.05629	0.8
157.06601	9.8
159.08098	2.9
161.06058	2.0
161.09625	1.7
163.07648	0.8
167.07169	1.3
167.08592	1.7
169.05063	1.7
171.04518	8.7
171.08174	1.4
173.06056	1.6
173.09720	1.3
175.07613	1.0
175.11313	1.3
183.04507	5.2
183.08165	1.4
184.05290	20.3
185.06076	6.0
185.09651	0.9
187.07706	1.3
187.11327	1.0
189.09172	1.8
191.10800	2.0
193.08629	0.9
196.08701	1.0
197.06020	0.9
201.09061	1.0
209.11696	1.2
211.07637	1.0
211.11232	1.0
211.13135	1.0
213.09155	1.5
218.10947	2.9
225.09180	1.5
227.10588	1.0
229.06230	1.4
232.12469	1.0
233.09857	1.1
233.13388	1.2
235.11261	1.5
247.14845	3.6
259.14560	1.4
261.09308	1.0
273.16519	5.3
275.17908	1.0
289.15985	3.2
291.13791	1.3
317.15356	1.9
373.20059	0.9
399.23251	1.2
413.19772	5.2
414.19681	1.0
427.21088	1.7
431.21265	1.2
455.20523	1.6
469.18768	1.0
495.25842	1.8
501.29922	7.4
502.30716	1.3
513.26587	11.4
514.26746	1.6
529.26031	4.9
539.24353	2.4
545.29083	16.6
546.29199	2.4
555.27551	24.6
556.27783	4.2
557.25439	14.2
558.25684	2.9
571.26794	3.1
572.27069	1.1
581.24982	1.3
587.30035	13.7
588.30640	1.7
589.27826	1.2
599.26508	24.2
600.26770	4.9
601.24316	1.1
603.29529	1.2
613.27960	1.2
631.29163	14.5
632.29590	2.2
633.26898	1.2
639.27698	1.6
643.25299	18.7
644.25995	3.1
657.29242	2.4
675.28058	100.0
676.28320	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	675.2808
Annotation	Henriol D
Peak:m/z	Relative Intensity
52.86177	0.9
59.01380	41.0
60.99312	1.0
61.98828	29.3
69.03436	1.3
71.01385	10.0
72.99323	1.1
73.02932	2.6
78.95906	6.5
83.01399	1.4
85.02950	91.2
86.03294	1.8
87.00867	3.1
87.04514	11.1
88.98800	5.0
89.02451	9.7
97.02925	1.6
98.19849	2.1
99.04503	2.1
101.02444	5.9
104.81924	0.9
107.05019	0.9
113.02413	3.9
117.86481	1.0
119.03471	2.1
119.04986	2.4
121.02959	100.0
122.03259	2.5
123.08054	1.0
125.02409	4.1
130.04210	1.9
133.06541	3.2
135.04471	1.6
143.03557	1.2
143.04964	0.9
145.02960	5.9
145.06538	2.0
147.03386	1.6
147.04515	29.7
148.05003	1.1
152.99617	4.6
159.08046	1.2
161.04564	2.1
171.08064	1.2
179.05574	1.4
185.25987	0.9
187.07607	1.2
189.05360	1.4
209.11713	1.5
209.97305	0.9
213.09209	2.4
235.08096	3.2
277.21735	23.3
278.21970	2.2
340.07135	0.9
366.92227	0.9
397.13507	21.3
398.13568	1.0
415.14478	8.6
485.25302	2.0
495.24335	1.1
513.23706	1.4
555.28088	1.5
557.25024	1.2
593.27435	6.0
599.26398	31.4
600.26770	6.8
631.29211	25.4
632.29523	5.0
633.27026	2.2
643.25244	1.2
675.27844	49.3
676.28296	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	675.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	33.9
61.98831	34.6
63.43872	0.9
71.01382	11.7
72.99308	1.2
73.02927	3.0
76.44224	1.0
78.95908	7.9
82.95404	1.0
85.02953	87.1
87.00859	2.7
88.06974	1.0
88.98786	2.4
89.02447	9.0
93.03452	1.4
97.02930	1.8
98.19839	1.5
98.20523	5.6
98.99622	0.9
99.04498	4.4
101.02438	8.9
109.02953	1.2
109.81873	1.0
113.02427	3.8
119.03513	2.5
119.05025	1.5
121.02958	100.0
122.03240	1.5
125.02435	3.3
127.92004	1.0
130.04204	3.0
133.06573	4.8
145.02936	8.9
145.06567	1.3
147.04497	4.0
151.42014	1.1
152.99635	5.1
157.06543	1.3
161.04503	2.0
175.04018	1.4
179.05582	2.1
189.05641	1.2
199.07643	1.2
209.11905	2.2
213.09235	2.6
215.83418	1.1
235.08171	3.6
245.08099	7.6
253.09146	1.5
277.21735	26.5
293.20975	1.4
397.13467	22.7
409.20276	1.2
415.14590	8.8
453.22595	1.4
529.21777	1.8
533.56805	1.1
555.27155	2.3
557.25336	1.7
571.26599	1.2
593.26971	3.0
594.27576	1.2
599.26581	29.3
600.26678	5.4
601.22235	1.0
631.29163	27.8
632.28876	6.9
643.26379	1.6
657.34369	1.8
675.27850	56.7
676.27808	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	675.2805
Annotation	Henriol D
Peak:m/z	Relative Intensity
56.88924	0.9
59.01377	43.3
61.68414	1.0
61.98534	1.6
61.98830	20.6
65.29182	0.9
68.99805	2.5
69.03420	1.2
71.01009	1.4
71.01377	15.1
72.99316	5.5
73.02933	3.4
78.95883	2.2
79.05527	1.6
81.03443	1.3
81.99549	1.0
83.01360	2.1
85.02957	5.4
87.00873	7.5
89.02444	10.9
93.03458	1.7
97.02930	2.7
97.06561	1.6
99.00835	1.8
99.04469	2.4
101.02441	11.5
101.03954	2.0
103.00336	1.0
103.05546	3.7
105.07092	2.7
107.05000	1.9
109.02941	1.3
111.04472	2.0
113.02460	6.4
115.05542	2.8
117.07079	3.8
119.03486	2.2
119.04984	3.2
121.02933	3.5
121.06577	3.7
123.04535	1.7
125.02488	5.6
130.04257	1.2
131.05040	10.3
133.06596	20.1
141.07083	4.4
143.03458	1.5
143.05028	1.2
145.06581	4.6
147.04514	98.5
148.04832	3.4
149.06052	3.4
151.07651	1.1
152.99582	1.3
157.06557	3.1
159.04468	1.2
159.08058	1.3
161.04587	3.4
161.06058	25.5
161.09657	4.3
170.07387	1.1
171.04507	34.4
171.08186	1.0
172.04906	1.1
173.06050	2.1
173.09758	2.5
179.05576	2.5
183.04494	1.6
184.05243	2.4
185.05881	1.1
185.09676	2.0
187.11209	3.4
189.08931	1.1
195.08104	1.2
197.11880	1.0
198.06627	1.2
199.07538	1.9
213.09155	4.3
215.06937	1.1
221.06645	1.1
235.08231	6.2
237.08894	1.1
245.11790	1.4
253.09225	3.9
269.11475	1.1
277.21732	33.7
278.21915	1.8
285.13150	1.1
287.07617	2.5
293.49884	1.2
305.08566	2.5
309.34406	1.2
335.16330	1.2
353.17566	1.2
391.18988	3.0
397.13513	18.1
397.18875	1.6
409.20343	1.2
415.14526	18.2
427.21222	28.2
427.27109	1.4
428.21588	3.6
443.18811	2.1
445.22183	3.0
469.22333	1.8
506.49371	1.2
513.26270	3.6
539.24426	3.0
545.28992	2.8
555.27936	1.3
557.25452	30.1
558.25836	3.6
589.27893	1.4
599.26477	35.0
600.26776	6.4
631.29102	34.7
632.29401	6.4
643.25562	1.8
675.27972	100.0
676.28131	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	675.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	34.2
61.98833	10.0
69.03458	1.1
69.99849	0.6
71.01385	2.4
71.52752	0.8
72.99334	0.7
73.02943	0.9
81.03457	1.0
83.01391	0.8
83.05042	2.4
85.02952	2.6
93.03459	0.8
96.96002	1.5
99.04520	19.5
101.06097	1.9
109.06625	0.7
111.04541	1.9
121.02959	100.0
122.03311	2.9
127.04048	0.9
131.05040	0.8
133.06616	1.1
135.04549	1.2
147.04494	3.8
147.08141	0.9
153.05533	0.7
159.04434	0.8
159.08174	1.1
160.05281	1.4
186.06956	0.7
187.07561	0.8
197.06123	0.9
209.11836	1.7
211.13460	1.0
213.09241	0.8
227.12955	0.7
232.14478	0.7
273.11462	0.8
356.14185	0.9
407.18332	0.9
433.20309	0.9
435.18326	0.8
437.19516	1.2
461.20023	1.0
473.21997	1.5
493.22339	1.5
511.27225	1.2
513.25000	1.3
529.27856	0.9
531.23767	2.1
539.26489	1.9
553.24402	8.3
554.24774	1.1
555.24603	2.0
559.23370	4.4
571.26752	1.2
573.24854	2.3
591.25769	1.1
597.25262	2.2
599.26807	1.3
601.23572	1.4
615.26282	5.7
643.25354	31.9
644.25720	5.0
657.26947	1.7
675.28052	78.3
676.28510	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	675.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	34.2
61.98833	10.0
69.03458	1.1
69.99849	0.6
71.01385	2.4
71.52752	0.8
72.99334	0.7
73.02943	0.9
81.03457	1.0
83.01391	0.8
83.05042	2.4
85.02952	2.6
93.03459	0.8
96.96002	1.5
99.04520	19.5
101.06097	1.9
109.06625	0.7
111.04541	1.9
121.02959	100.0
122.03311	2.9
127.04048	0.9
131.05040	0.8
133.06616	1.1
135.04549	1.2
147.04494	3.8
147.08141	0.9
153.05533	0.7
159.04434	0.8
159.08174	1.1
160.05281	1.4
186.06956	0.7
187.07561	0.8
197.06123	0.9
209.11836	1.7
211.13460	1.0
213.09241	0.8
227.12955	0.7
232.14478	0.7
273.11462	0.8
356.14185	0.9
407.18332	0.9
433.20309	0.9
435.18326	0.8
437.19516	1.2
461.20023	1.0
473.21997	1.5
493.22339	1.5
511.27225	1.2
513.25000	1.3
529.27856	0.9
531.23767	2.1
539.26489	1.9
553.24402	8.3
554.24774	1.1
555.24603	2.0
559.23370	4.4
571.26752	1.2
573.24854	2.3
591.25769	1.1
597.25262	2.2
599.26807	1.3
601.23572	1.4
615.26282	5.7
643.25354	31.9
644.25720	5.0
657.26947	1.7
675.28052	78.3
676.28510	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	674.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
59.01381	79.3
60.16415	0.6
61.98833	18.3
65.03955	2.6
67.01893	4.6
69.18545	6.7
71.01395	6.2
72.99317	4.7
73.02942	1.8
78.32382	0.6
80.02690	1.0
81.03468	1.8
83.01390	1.6
83.05025	7.0
84.02181	1.1
84.05383	0.8
85.02952	4.7
87.00881	22.6
89.02435	2.7
93.03467	0.7
95.05026	1.6
96.96009	2.6
97.02942	0.7
97.06548	1.0
99.00898	1.2
99.04512	9.1
101.02441	3.5
102.02778	0.7
107.03762	1.7
109.02946	0.8
113.02481	1.9
114.64702	0.7
116.92850	0.8
121.02962	2.7
122.06107	4.2
128.03587	1.3
135.08157	1.6
138.30263	0.7
146.04607	0.8
149.09740	0.6
151.11331	0.7
161.04489	1.5
163.11359	4.6
164.11655	1.5
165.12865	1.9
171.10255	3.0
172.10735	0.6
173.08916	0.5
181.12343	0.8
191.10704	1.0
192.11203	0.8
193.04871	0.7
199.13354	0.9
209.11824	100.0
210.12169	58.4
211.12440	1.9
227.12900	14.5
228.13196	8.1
235.08150	1.6
236.08640	0.8
247.13657	0.9
253.09271	5.5
254.09613	2.7
277.14447	2.4
278.15274	3.8
300.02747	1.1
304.26059	0.6
381.24673	1.3
411.25391	2.2
429.26431	32.9
430.26715	4.9
431.24289	1.2
446.21274	1.4
471.27203	0.8
495.25781	2.8
497.29330	8.2
498.29703	1.0
521.29230	5.6
522.29956	1.1
552.33228	15.4
553.33832	2.7
555.25977	3.8
570.34332	70.3
571.34674	12.5
573.27228	4.9
597.27075	3.2
599.29004	1.1
612.31012	1.0
615.27704	1.7
632.34296	2.8
638.26477	0.8
674.31689	7.9
675.31879	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	673.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
58.00584	1.4
59.01380	30.3
61.98829	9.1
69.03445	1.3
71.01381	45.4
73.02948	3.1
75.00869	1.1
75.16012	0.6
78.95907	2.6
81.03471	2.0
83.01382	1.3
83.05006	3.6
85.02962	5.7
87.00872	3.0
87.04505	1.8
89.02427	4.1
95.01412	1.0
95.05038	1.3
97.02964	3.3
97.06596	1.2
98.19846	1.2
98.20544	3.2
99.00861	2.2
99.04504	1.0
101.02438	6.6
109.06579	7.2
109.56488	0.6
110.03737	0.6
113.02459	3.3
119.03497	1.1
121.02916	0.8
121.06533	0.8
125.02422	1.0
125.09719	1.6
127.11305	0.6
131.60728	0.7
135.08157	1.2
137.09706	0.7
145.05066	1.4
147.04510	1.2
152.99567	1.2
153.12845	0.7
161.04523	2.8
161.09653	0.8
163.11288	8.5
165.12805	2.4
169.12450	0.7
171.10298	7.2
179.10760	0.7
181.12402	4.0
182.86804	0.6
183.13885	10.2
185.11847	2.6
189.09267	1.0
191.10777	0.7
193.12378	1.5
197.11708	0.9
199.09874	0.8
199.13387	16.4
201.11275	5.6
207.10251	26.5
209.11818	39.5
210.12152	2.2
211.13383	100.0
212.13686	4.3
225.09233	1.4
225.11324	17.1
226.11650	0.9
227.12872	40.2
228.13168	2.2
229.14403	1.7
235.08220	4.8
243.12378	1.5
247.13551	0.9
249.14917	0.9
253.09258	11.3
254.09621	0.8
265.14343	0.8
293.21094	0.8
295.10471	1.0
299.14984	1.0
311.22119	1.5
329.24481	0.7
334.03101	0.8
357.24576	0.8
373.23798	2.5
383.22360	1.9
391.24960	2.1
401.23325	4.5
419.24164	5.3
443.19153	1.4
445.21011	1.0
447.22318	1.5
461.20392	3.7
463.21820	6.2
464.22296	0.9
511.26984	0.8
539.26361	1.2
600.15857	0.7
609.32813	0.7
619.31543	0.9
637.32501	5.4
638.32648	1.1
655.33337	10.9
656.33710	3.1
673.34448	13.9
674.34210	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	673.323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48211	0.5
55.66036	0.4
55.96560	0.4
59.01378	100.0
60.01717	0.9
60.99299	0.6
61.98829	10.7
66.09303	0.4
71.01394	0.8
78.86162	0.4
78.95929	1.2
83.05067	0.5
84.53578	0.4
88.98795	4.1
89.02444	1.0
99.04521	8.5
135.05415	0.4
136.08806	0.4
152.99556	0.5
156.90529	0.5
167.83464	0.4
171.10316	0.5
176.67229	0.4
209.11949	1.7
211.13509	1.3
227.12933	0.6
281.68552	0.4
323.49109	0.4
457.22412	5.0
496.15643	0.5
499.23538	0.8
539.26471	30.0
540.26794	4.0
673.34564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98906	0.2
54.63283	0.2
57.03432	0.2
58.00598	0.2
59.01382	4.1
61.98830	0.2
69.03467	0.8
70.76685	0.2
71.01390	1.9
71.05019	0.2
72.99313	0.2
73.02943	0.4
77.20280	0.1
80.02682	1.0
81.03461	1.1
83.01376	0.4
83.05028	4.2
84.02151	0.8
85.02953	1.9
87.00887	0.5
89.02451	1.3
93.03460	0.4
95.05030	0.7
96.96003	0.2
97.02973	0.3
97.06586	0.4
98.20673	0.3
99.04523	2.5
101.02438	1.5
109.06586	0.4
113.02461	0.8
119.03481	0.3
121.02945	0.3
123.08114	0.2
125.02474	0.2
125.06095	0.5
125.09682	0.2
129.03322	0.2
135.04533	0.2
135.08171	0.7
145.05029	0.2
146.35898	0.2
147.11787	0.2
149.09689	0.2
150.06847	0.5
161.04550	0.8
163.09903	0.2
163.11278	3.5
165.12872	2.1
169.12311	0.2
171.10265	1.7
173.09660	0.2
179.05545	0.2
181.12340	0.7
191.10822	0.9
199.13394	0.5
209.11821	100.0
210.12157	5.1
211.13455	0.4
221.11838	0.3
223.13243	0.2
227.12877	13.9
228.13190	0.5
235.08194	1.5
237.15167	0.2
247.13437	0.9
253.09270	6.1
254.09933	0.2
265.14484	0.4
282.65521	0.2
375.21725	0.2
391.24777	0.2
401.23315	0.4
419.24484	0.6
445.20724	1.2
451.23010	0.2
515.25775	0.2
525.24237	0.3
527.26465	0.6
545.27460	0.3
569.27258	0.7
583.25360	0.5
587.28583	3.0
588.28821	0.2
595.25397	0.2
611.28326	1.0
613.26569	0.6
623.25024	0.4
629.29602	2.6
630.29767	0.5
637.33221	0.8
655.26611	1.3
673.28345	2.4
674.28973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01708	0.9
61.98830	12.8
71.01385	3.3
78.95918	0.9
82.46241	0.6
88.98827	2.7
89.02480	0.6
99.04519	75.0
100.04839	1.3
109.06575	1.1
145.06624	0.7
171.10338	1.4
183.13962	0.7
199.11307	1.3
199.13321	0.7
207.10237	1.9
209.11824	5.4
211.13347	5.0
225.11383	0.8
227.10999	0.7
227.12767	3.1
238.01282	0.6
272.50748	0.7
457.22461	5.4
459.65991	0.7
503.61755	0.6
539.26520	51.9
540.26886	8.1
663.31921	0.7
673.34149	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	673.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01718	0.6
61.98826	2.9
66.01813	0.3
69.03479	0.5
71.01374	2.2
71.52856	0.4
73.02967	0.7
78.01145	0.4
78.95898	0.4
83.05054	0.4
87.00929	0.5
88.98811	0.4
89.02448	0.6
93.03496	0.5
97.03002	0.4
99.04519	29.7
100.04896	0.5
109.06615	0.8
121.02955	5.9
121.03754	0.4
123.04533	1.0
125.06115	0.5
135.04649	0.4
143.50700	0.3
147.04558	0.9
148.05318	0.4
152.99576	0.4
155.03535	0.5
163.11295	0.8
171.04588	1.0
171.10355	0.4
173.71213	0.3
175.07722	0.4
183.13927	0.5
189.09265	0.5
193.08708	0.6
199.11511	0.7
199.13393	0.5
200.48862	0.3
207.10364	1.2
209.11790	3.5
211.13364	3.2
217.12488	0.7
225.11400	1.3
227.12857	1.6
232.80421	0.3
241.08788	0.4
245.11900	0.8
253.09180	0.4
274.12268	0.5
319.31793	0.3
391.12177	0.4
429.19412	0.5
435.20355	0.3
439.21454	0.9
445.22629	0.3
457.22281	5.4
458.23062	0.4
461.21109	0.5
481.22336	3.7
499.23206	0.3
508.19000	0.4
529.24396	0.7
539.26489	28.5
540.26843	4.1
540.33954	0.3
571.29041	1.0
573.23071	0.4
600.27435	0.3
641.27478	2.5
673.29785	4.6
674.31238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16239	0.4
59.01381	19.8
59.38586	0.5
60.99297	0.6
61.98831	14.2
71.01383	2.3
71.05009	0.6
73.02949	0.7
75.00888	0.8
80.02679	1.2
81.03465	1.5
83.01373	0.6
83.05032	7.0
83.49529	0.5
84.02174	0.9
85.02951	59.7
86.03291	0.8
88.32160	0.5
88.98826	2.5
89.02449	1.2
93.03423	0.6
95.05029	0.9
96.96001	0.8
97.02975	0.5
97.06586	0.5
98.19892	1.5
98.20607	1.8
99.00816	0.5
99.04521	8.5
101.02462	1.5
101.06105	0.6
109.06625	0.7
113.02455	1.2
115.00363	0.6
125.06097	0.8
129.50273	0.5
133.06575	1.3
135.08121	1.2
147.04492	0.7
147.08122	0.9
151.07600	0.6
161.04512	1.0
163.11282	3.6
165.12910	2.7
171.10255	1.4
187.11284	1.2
191.10759	0.9
199.13385	0.8
208.52866	0.5
209.11821	100.0
210.12154	4.3
210.28714	0.5
211.13397	1.4
220.74910	0.5
222.18062	0.5
227.12889	15.2
228.13206	0.7
235.08220	2.2
247.13580	0.7
250.01582	0.6
253.09239	6.1
254.12976	0.7
401.23187	0.7
435.04324	0.6
445.21112	1.4
469.26102	0.7
473.29068	2.3
495.23959	6.4
496.23907	0.8
499.23117	0.7
501.28421	1.6
504.51556	0.7
511.23242	1.2
513.24927	22.6
514.25269	3.1
525.25116	0.7
527.26270	1.2
537.24829	1.3
538.24780	0.7
545.27698	1.6
551.26898	0.8
555.25970	8.1
556.26263	1.0
569.27637	2.6
570.28088	0.8
579.26093	4.5
587.28735	2.9
597.27142	4.4
599.24341	0.7
611.28729	1.2
613.26129	1.7
629.29633	1.5
631.27368	3.5
632.27734	0.6
641.26056	7.1
655.26715	3.3
673.28595	24.1
674.28467	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	673.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03475	0.5
59.01382	100.0
60.01733	0.9
61.98840	2.2
71.01394	1.0
83.05043	1.1
84.32627	0.4
85.02962	2.4
96.96037	1.4
98.00098	0.9
98.19886	1.1
99.04524	13.8
101.02402	0.6
101.06080	6.3
116.77477	0.5
121.02959	0.8
125.06175	0.5
133.06633	0.7
135.04614	0.6
159.08199	0.6
161.09752	0.6
165.12666	0.5
172.79851	0.5
183.13919	0.6
187.11316	1.2
199.07677	0.6
199.13414	0.6
207.10217	0.6
209.11786	4.2
209.13171	0.4
211.13481	1.5
225.11272	0.9
227.10724	0.6
227.12762	1.0
252.21698	0.5
253.09293	0.5
295.15582	1.2
347.22507	0.6
401.23520	1.4
409.20139	0.7
425.20248	0.9
427.21451	1.1
455.24661	0.6
473.25360	3.0
503.23132	1.1
509.25443	3.8
527.19342	0.9
527.26465	7.9
528.27307	1.1
551.27057	1.2
557.26733	1.4
569.27515	12.8
570.28156	2.3
571.25464	16.0
572.26093	2.3
588.85974	0.7
589.23938	0.6
595.25867	0.8
609.24042	0.7
610.24762	0.7
613.26593	9.5
614.27405	1.4
629.26868	1.0
641.26794	1.5
673.28168	11.0
674.29230	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	673.285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99480	1.4
57.03436	1.6
58.28612	1.4
59.01379	100.0
61.98835	13.1
69.03461	2.0
71.01375	11.1
72.99313	1.6
73.02935	5.1
79.27037	1.3
81.03479	2.1
83.05010	3.4
85.02945	5.3
87.00864	1.7
87.04520	16.1
94.76805	1.3
98.19846	2.3
99.03915	2.4
99.04522	30.7
101.02434	5.2
101.06064	2.7
103.82590	1.3
109.06590	3.1
111.04514	2.0
121.02959	78.7
125.09741	1.8
133.06624	2.6
135.04510	2.9
143.05632	1.3
143.44531	1.6
144.66818	1.3
147.04506	1.6
163.11278	2.8
171.10236	6.1
173.09584	1.6
181.12379	2.2
183.13867	1.5
199.09740	5.9
199.13379	3.8
201.11259	5.4
207.10228	7.9
209.11819	50.7
210.12125	3.9
211.13391	21.0
213.09175	1.5
213.56799	1.4
225.11296	7.7
227.12904	11.6
235.08197	3.8
253.09213	6.3
347.22266	8.0
401.23199	3.2
427.21198	2.9
443.44296	1.6
445.20953	1.9
469.25732	4.7
483.27686	1.8
485.21729	4.4
509.25281	9.7
527.27319	11.4
551.26550	4.7
569.27686	19.7
570.27966	2.0
571.25708	10.2
597.26740	3.2
613.26361	20.6
614.26910	2.2
619.31281	2.8
629.30237	3.3
637.32001	4.4
641.26166	7.4
655.32996	4.2
673.28815	23.8
674.28821	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98832	12.3
63.30504	1.0
65.03953	1.5
67.01902	1.8
69.03457	92.7
70.37534	2.7
70.37930	2.2
71.01378	6.6
73.02930	1.7
75.00858	1.5
79.05522	1.6
81.03469	2.8
83.01398	1.9
83.05030	12.4
83.94054	1.1
85.02953	15.0
87.00870	1.8
87.04529	1.3
93.03458	5.5
95.05011	4.0
96.96024	2.7
97.06570	1.5
98.19944	1.2
99.04520	31.9
99.05168	1.6
101.02441	2.9
106.04287	1.5
107.05036	35.9
109.02945	1.9
109.06586	3.2
110.81933	1.3
111.04526	11.8
119.04989	5.7
121.02943	4.7
121.06561	3.0
123.04519	2.4
125.09728	1.3
127.03954	2.8
131.05054	1.6
135.08147	1.3
137.02412	4.2
147.04514	3.1
147.08102	1.5
148.05321	14.4
149.06042	5.3
155.03468	5.3
163.11272	1.6
165.05594	2.0
171.08122	1.9
171.10252	4.6
183.13815	6.7
187.11324	1.8
193.08716	3.3
199.09688	1.6
199.13272	2.0
201.11302	4.3
207.10269	5.1
209.11821	35.5
210.12048	1.5
211.11427	1.6
211.13362	10.8
225.11295	3.9
227.12961	6.5
235.08192	1.5
237.07674	3.3
241.12366	1.5
253.09216	5.1
305.17218	1.4
327.19797	1.5
330.45483	1.3
337.16483	3.1
351.18066	10.5
352.18423	1.7
375.18121	5.2
389.19583	2.5
403.21423	9.3
417.23166	1.6
427.21173	7.0
433.92618	1.4
435.20099	11.9
445.22321	16.4
446.22955	2.5
459.20120	4.8
485.21631	3.9
487.23404	8.9
509.25906	2.5
511.23361	12.3
512.23370	2.7
513.24835	5.6
527.26660	5.3
529.24414	49.3
530.24640	4.9
555.25720	1.5
567.26489	1.3
569.27588	8.0
571.25317	5.9
573.23383	66.5
574.24011	8.7
611.29065	1.9
613.26385	6.6
641.25983	2.2
655.33362	2.7
673.27637	8.9
674.30066	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	673.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.1
57.03458	3.0
57.18176	1.9
59.01378	100.0
59.27280	1.7
61.98830	17.0
67.01880	6.7
69.03446	2.9
71.01382	11.1
81.03445	4.4
83.05014	11.0
85.02944	8.7
87.04520	27.4
88.98788	3.6
93.03451	4.6
95.04997	2.2
95.55905	2.2
99.04521	76.0
101.02444	2.9
107.05017	4.2
109.02976	2.6
109.06573	6.1
111.04541	12.4
121.02979	10.5
121.06557	2.5
123.08141	1.9
127.03992	2.8
133.06595	4.4
135.04503	6.2
137.02472	3.0
137.06136	2.0
139.07640	4.7
144.05809	1.8
147.04527	5.3
148.05223	2.2
148.25500	1.7
153.05583	3.1
155.03477	6.6
159.08147	9.2
163.03937	2.5
163.11186	2.3
165.09180	4.6
171.04433	2.4
171.08054	9.6
171.10233	3.1
175.07620	5.3
185.05937	1.9
189.09142	2.7
193.08690	10.9
197.09772	2.1
199.07722	3.0
199.09738	3.2
199.13353	3.6
200.08347	6.3
207.10239	6.9
209.11827	21.7
211.13353	19.4
213.09157	4.1
215.10777	36.4
215.12827	3.4
216.11148	1.8
225.11311	7.6
227.12842	8.5
245.11810	2.3
253.09296	4.2
255.13953	3.2
351.18137	5.9
361.18542	2.1
365.17505	3.2
383.18552	2.3
391.18976	2.3
425.19299	3.2
427.21201	9.0
435.19949	5.2
445.22171	8.3
495.23755	9.3
525.24976	10.9
529.24457	8.5
535.23291	2.7
537.24792	6.4
545.27783	2.7
559.25409	7.0
569.23761	42.1
570.24268	4.4
595.25507	4.6
613.26483	22.4
614.26636	4.6
629.30096	5.5
637.31860	2.5
641.26978	6.3
655.33429	3.0
673.28937	17.5
674.29565	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	673.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75243	0.6
59.01377	50.8
61.98831	1.1
69.15223	4.6
69.15630	1.4
71.01382	0.6
79.05524	0.6
81.38651	0.5
82.18127	0.5
83.05013	4.0
85.02959	0.7
96.96010	2.4
98.20293	3.2
99.04513	1.7
101.06078	71.3
101.28493	0.5
102.06403	2.3
103.47247	0.5
107.05028	0.7
108.13879	0.7
109.06565	0.8
113.02397	0.5
121.06629	0.7
124.23922	0.5
131.04965	1.6
133.06577	3.8
135.04521	1.5
159.08141	0.7
161.09735	0.7
173.09686	1.2
187.11278	2.0
189.09207	1.3
209.11726	1.8
215.10809	0.6
246.53705	0.6
278.81522	0.7
381.20596	0.8
386.04593	0.7
415.20810	0.6
425.19760	1.8
459.20337	0.6
485.21771	4.5
503.22809	7.4
504.23056	1.2
527.23199	0.8
545.23907	13.3
546.24274	2.6
571.20935	0.6
589.23444	0.7
629.29633	16.5
630.29871	1.4
673.28564	100.0
674.28925	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	673.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69004	3.1
55.49575	2.9
57.03448	4.6
58.35318	3.1
59.01383	100.0
61.98835	88.3
67.01901	3.8
71.01388	29.1
71.52565	3.7
78.95915	13.6
80.02660	3.1
81.03446	7.1
83.05040	10.7
85.02961	15.8
87.00892	7.8
87.04514	8.0
87.95287	3.1
88.98837	3.5
89.02441	4.0
95.05043	9.4
96.96008	3.3
97.02961	6.0
99.00877	8.3
99.04526	92.1
101.02429	5.6
101.06079	94.1
107.05049	10.0
109.02957	12.5
109.06596	9.8
111.00889	6.9
111.04531	9.7
121.02950	50.0
121.06643	4.6
121.97634	2.8
124.01650	11.0
127.04013	3.9
133.06654	5.4
135.04541	5.6
137.06081	5.5
141.05565	10.3
147.04533	8.0
149.06120	3.6
157.06607	9.7
159.08142	4.1
163.11287	5.1
166.76816	3.5
171.08298	6.9
171.10286	39.4
176.12662	3.3
177.05536	4.7
181.12427	3.4
185.11885	4.2
197.09691	4.3
199.13336	8.7
201.11385	3.9
205.12256	3.8
207.10249	18.7
209.11816	62.3
210.12170	3.7
211.13431	43.1
215.10796	32.6
223.13420	18.9
225.11308	13.2
227.12883	24.1
253.09294	7.8
255.14095	5.5
259.09637	16.2
307.13419	4.0
325.14587	3.8
365.17468	7.0
383.18439	8.7
391.19183	5.6
409.16248	5.2
435.17899	12.5
469.18774	5.9
521.25226	5.4
525.24750	7.0
535.23492	5.0
569.23834	92.8
570.24133	12.8
587.30573	4.3
595.25555	16.7
613.26782	8.3
631.16858	3.9
635.24799	4.0
637.32416	4.2
655.33844	5.3
673.28784	23.8
674.30627	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	672.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
57.03444	1.9
58.00581	1.2
59.01379	75.8
61.98830	83.1
69.03472	1.2
69.47485	7.0
71.01379	20.9
72.99290	1.2
73.02959	6.3
83.01393	2.8
83.05022	2.0
85.02955	12.1
87.00864	2.1
88.98779	1.1
89.02445	9.7
95.01383	3.5
96.95999	3.8
98.20601	2.1
99.00850	2.5
101.02446	10.4
113.02452	19.0
119.03499	3.2
121.02912	1.7
125.02448	1.8
131.03502	0.9
143.03456	2.4
151.00377	1.4
161.04614	5.4
165.12868	1.3
197.15341	1.5
209.09911	1.8
209.11818	30.4
227.12852	4.1
227.37086	0.9
243.02945	1.0
243.19476	1.1
248.17474	1.0
253.09195	2.0
255.02972	2.2
270.14417	1.4
271.02408	4.4
300.02740	10.4
301.03323	3.9
343.28540	1.6
359.27634	1.2
361.29565	15.3
423.19162	1.1
463.08646	1.6
505.33807	100.0
506.34125	11.1
523.34784	17.2
524.35052	1.7
565.27448	1.5
565.35913	19.6
566.36359	3.3
600.95148	1.0
609.12445	8.6
610.12988	1.7
628.31464	1.0
672.35553	2.5
673.30719	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	673.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77464	0.6
57.03444	27.6
58.00578	1.0
59.01377	28.1
65.64180	0.6
71.01380	8.3
71.52639	0.7
72.99274	0.9
73.02940	14.1
75.00849	1.0
81.28364	0.5
83.01391	2.1
85.02938	12.4
87.00885	1.4
87.04504	8.9
89.02434	3.9
89.02927	0.6
93.03453	3.2
95.01381	0.8
97.02928	1.7
99.00875	1.0
99.04512	24.0
101.02436	12.8
103.04005	44.9
104.04361	0.9
109.02977	0.6
113.02473	4.8
115.04006	7.4
117.05575	1.6
119.03474	1.4
120.37360	0.7
122.69615	0.6
125.02444	7.9
127.04024	0.9
133.02933	1.8
135.04527	1.5
137.02440	2.1
143.03525	1.8
145.05031	6.2
159.03032	0.8
161.04550	1.7
173.04561	1.5
177.01892	1.1
191.05600	2.0
207.08730	11.1
215.05469	1.4
247.08179	4.4
249.09814	5.1
265.09268	4.9
289.12872	2.4
307.13895	0.8
321.11838	3.3
333.11819	2.0
349.11380	0.8
351.12918	100.0
352.13333	6.0
355.53421	0.7
362.03262	0.6
547.82703	0.8
601.10913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96590	0.8
59.68986	0.8
70.03794	3.5
78.79925	0.8
88.92695	0.8
103.19456	0.7
104.00429	0.9
107.01364	0.9
130.84766	0.8
142.48105	0.9
151.00380	7.6
163.00368	2.2
178.49321	0.9
178.99834	4.1
226.02702	1.3
227.03467	1.9
243.02936	5.8
245.04408	1.0
254.02002	1.4
255.00536	1.5
255.02983	17.7
256.03168	1.2
271.02463	33.7
272.02933	3.1
273.95593	1.0
300.02740	66.9
301.03455	25.6
302.03702	1.2
346.99045	1.0
362.61288	1.0
609.14594	100.0
610.14948	15.0
675.72211	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39718	0.3
59.01383	3.7
61.98829	100.0
63.53928	0.3
68.62177	0.3
70.82709	0.7
71.01367	0.4
78.95941	0.6
85.02962	0.9
89.77989	0.3
121.02981	0.6
122.52879	0.3
144.88754	0.3
147.04523	0.3
152.99593	0.4
159.67464	0.4
209.11890	0.9
375.78659	0.4
467.98080	0.3
648.17731	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99899	1.0
57.03451	4.3
58.00608	0.9
59.01380	81.7
61.98830	100.0
69.03458	1.2
69.96958	0.9
71.01385	34.4
72.99299	0.9
73.02949	15.5
83.01382	4.9
83.05010	1.3
85.02951	12.2
87.00900	2.3
89.02443	20.2
95.01393	5.2
96.96017	2.1
97.27298	0.9
98.20123	5.5
99.00879	2.6
99.04533	3.2
101.02438	17.5
110.70672	1.0
113.02447	33.7
119.03498	9.2
122.06162	1.5
125.02412	1.2
131.03513	1.8
143.03508	4.3
149.04539	2.3
152.07188	2.2
161.04568	12.7
167.48532	1.1
171.10333	1.3
179.05583	7.2
197.15462	2.6
209.11853	7.7
229.51492	1.1
243.19553	5.2
278.75262	0.9
327.25339	1.2
343.28549	3.7
361.29614	14.6
403.30576	1.9
492.19388	2.0
505.33853	71.5
506.34238	8.5
523.27661	1.9
523.34875	25.2
524.35095	3.0
548.58801	1.1
565.35828	30.4
566.35950	4.3
568.42444	1.1
608.31165	1.2
617.95587	1.3
629.26495	1.4
672.30945	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	671.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46156	0.4
54.85558	0.4
56.03874	0.4
57.03440	0.8
59.01382	9.2
60.99265	0.4
61.69806	0.4
61.98830	9.7
69.72196	2.1
71.01383	3.1
72.99312	1.2
73.02936	1.1
83.01389	0.5
83.05038	0.6
85.02948	2.5
87.00872	3.2
88.98771	0.9
89.02439	1.3
95.05040	0.5
96.96038	1.3
97.06593	0.6
98.20133	1.3
99.04514	1.3
101.02467	1.8
104.78751	0.4
111.04544	0.5
111.08160	1.2
113.02474	1.3
113.06032	0.5
119.03511	0.6
121.02917	0.7
123.08163	2.5
125.09768	0.7
135.08173	0.8
136.05267	1.1
139.07562	0.7
149.06097	1.3
150.06857	24.6
151.07396	0.7
161.04535	0.5
161.09702	0.7
162.06851	1.3
163.07646	4.3
164.08420	5.6
165.05513	0.7
165.09201	1.0
168.61523	0.4
169.43143	0.5
177.09155	0.8
178.09946	1.4
179.05611	0.6
179.07181	0.6
179.10773	14.2
180.11035	0.6
187.09840	0.6
209.11873	0.8
213.14960	0.6
221.11882	0.6
250.10374	0.4
257.13507	0.7
306.18555	0.7
321.20596	0.7
327.21732	1.4
329.19656	6.9
330.19910	0.6
350.20978	2.2
361.23911	0.6
386.13794	1.2
427.25146	0.7
430.26956	0.5
445.29572	1.8
448.28223	1.0
463.30957	0.6
487.20868	0.3
487.26953	11.8
488.27286	2.1
491.30127	3.0
505.33838	3.4
508.30246	3.1
509.31146	30.9
510.31531	3.5
591.27869	1.6
627.30798	0.7
635.27539	1.2
671.36517	100.0
672.25806	0.9
672.36920	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	671.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51051	0.4
57.49337	0.4
58.89304	0.3
59.01381	100.0
59.48759	0.4
60.00415	0.4
61.98829	9.6
62.98489	0.4
69.26874	3.5
71.01388	0.6
74.02449	0.4
78.95915	0.9
80.77865	0.4
83.90048	0.4
98.20108	1.7
112.98647	0.5
134.44127	0.4
139.62308	0.4
152.99638	0.6
171.10280	0.5
201.11391	0.4
207.10330	1.0
209.11823	2.5
211.93181	0.4
225.11380	1.0
237.76950	0.4
569.31592	0.9
639.24091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48541	0.6
59.01382	3.5
61.98828	20.6
65.00333	1.6
71.01383	1.7
73.02938	0.7
83.01385	1.2
85.02949	1.3
96.95989	0.8
98.20703	1.2
101.02450	0.9
107.01365	3.7
108.02161	0.9
109.02945	1.2
119.04968	0.9
121.02955	1.9
125.02473	0.6
145.02931	1.8
148.01669	1.1
150.03189	0.6
151.00359	14.4
163.00360	2.2
164.01100	1.2
178.99838	5.8
181.46442	0.6
199.04074	0.7
201.05739	0.7
209.11861	1.5
211.03989	0.8
215.03548	0.7
226.02632	0.8
227.03522	3.0
243.02992	8.1
245.04482	1.1
254.02170	2.0
255.02986	23.9
257.04453	0.7
271.02463	48.8
272.02994	4.0
273.03998	1.2
283.02344	1.6
299.01932	1.2
300.02731	94.3
301.03470	46.3
302.03827	2.3
463.08795	27.5
464.09158	1.9
510.18646	1.3
549.26874	0.9
609.12433	100.0
610.12817	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	671.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.4
59.01377	6.1
61.98828	11.1
69.03452	0.7
69.35859	3.4
71.01382	2.5
73.02943	1.4
83.01403	0.5
83.05010	0.5
85.02945	2.2
87.00871	1.3
88.98795	1.4
89.02428	1.7
89.64379	0.4
89.72427	0.4
95.01386	0.6
96.96008	1.5
97.02963	1.0
97.06600	0.5
98.20552	1.0
99.00876	1.0
99.04515	2.1
101.02435	2.0
107.05004	0.4
109.06609	0.5
111.00957	0.5
111.04542	0.8
111.08141	0.5
113.02442	0.7
115.03997	1.2
121.02950	1.3
121.06595	1.2
122.03746	1.0
123.04506	0.6
123.08198	1.2
135.04518	1.6
136.05293	26.2
137.06155	1.1
137.09714	1.0
147.08188	1.4
149.06050	3.7
150.06882	3.1
151.07640	0.6
162.06866	0.8
163.07672	1.0
164.08427	2.1
165.09200	21.9
166.09598	0.6
170.00395	0.4
171.10339	0.6
201.11276	0.5
207.10251	1.5
209.11813	1.3
213.14920	0.6
225.11296	1.3
257.13889	0.5
261.18671	0.6
265.09592	0.5
292.16901	0.8
307.19214	2.8
319.56091	0.4
336.19336	0.7
341.23221	0.5
343.21198	6.1
397.13452	0.4
445.29498	0.8
463.30624	11.3
464.31076	0.9
465.88400	0.5
490.29352	0.8
491.30435	2.3
508.30447	2.4
509.31122	29.6
510.31433	3.9
601.23004	1.6
603.23712	0.6
671.36493	100.0
672.37067	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	671.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	48.3
60.01699	0.8
60.99305	17.3
61.98832	10.5
70.64037	0.5
71.01355	0.8
78.95891	0.7
82.16933	0.5
84.22131	0.6
85.42124	0.5
88.00406	1.9
88.98804	100.0
89.02444	26.7
89.03008	0.7
90.11224	0.6
98.20020	3.1
98.20715	1.1
99.04510	3.5
103.72362	0.6
135.04379	0.6
152.99588	0.6
207.10248	1.0
209.11795	3.1
225.11288	1.4
227.12985	0.6
254.36433	0.6
497.21875	1.0
579.26434	0.7
639.24719	1.9
671.33423	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01379	6.5
61.98835	6.8
67.08484	0.4
69.01389	0.5
71.01382	3.8
71.14362	0.9
71.14715	0.8
72.99313	0.8
73.02949	1.2
83.01376	0.6
83.05029	0.8
85.02957	3.8
85.72476	0.5
87.00895	1.7
88.98822	0.6
89.02458	1.7
90.02981	0.5
96.96015	2.2
98.19897	0.7
99.04530	0.8
101.02441	1.8
111.08185	1.2
113.02461	1.7
119.03487	4.2
121.02964	1.4
123.08170	1.0
125.02434	0.8
127.11965	0.5
135.04472	0.6
136.05302	0.7
137.09717	0.5
141.09105	0.5
147.04541	0.7
148.05331	0.8
149.06081	1.1
150.06860	15.6
152.92955	0.5
157.08716	1.0
161.04556	0.5
161.09683	0.6
162.06839	1.0
163.07625	5.1
163.11232	0.7
164.08441	2.9
165.05646	0.8
171.10211	0.6
177.09265	1.2
179.05714	0.5
179.10776	6.7
187.09801	1.0
187.11388	0.7
207.10205	0.9
209.11783	1.7
225.11388	1.0
243.12389	1.4
285.17102	0.6
300.02664	0.8
327.21735	2.9
329.19644	6.5
329.77911	0.5
350.21017	1.0
412.24606	0.5
421.18716	1.5
445.29785	1.6
462.29800	1.1
463.30319	0.7
467.16263	0.5
490.29266	1.1
491.29987	2.6
508.30429	9.0
509.31161	23.4
510.31323	3.0
609.13098	0.9
609.28864	0.7
627.29950	0.6
671.36584	100.0
672.37103	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	671.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98331	0.7
57.56172	0.7
59.01379	75.6
61.98829	23.3
69.03445	0.8
71.01363	3.1
71.05016	0.9
81.03429	1.6
83.01413	0.7
83.05026	7.0
85.02939	3.3
87.00886	0.9
89.02404	0.7
93.03442	0.8
95.04998	0.9
97.02953	1.0
97.06609	0.9
99.00880	1.7
99.04517	48.0
100.04837	0.9
101.02419	1.1
107.04965	1.5
109.06547	2.9
111.04490	1.8
121.02921	1.9
121.06529	1.5
125.06078	1.4
133.06581	4.1
135.04457	1.4
135.08232	0.7
147.08054	0.7
149.05959	0.8
159.08078	1.3
161.09692	1.6
163.11281	1.8
173.09645	1.0
175.07590	0.9
175.11165	0.9
181.21385	0.8
187.11240	3.0
189.09164	1.1
207.10316	5.6
209.11835	10.0
211.13306	1.5
215.10686	2.3
218.99654	0.9
225.11243	6.0
227.12825	2.1
323.16217	1.2
381.20490	1.4
393.67679	0.9
399.21661	1.0
425.19690	1.3
459.20325	1.0
461.20325	2.5
473.21658	1.5
483.81339	1.0
485.21609	5.5
503.22937	14.8
504.23093	1.1
537.24603	1.8
545.23920	37.6
546.24268	2.8
555.25873	1.3
557.24615	1.5
589.22632	3.0
593.27423	1.6
597.26556	1.3
621.26550	1.5
627.28033	8.2
628.28857	1.4
639.27820	3.5
653.30420	3.2
671.26868	100.0
672.27258	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	671.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06108	0.3
51.43510	0.3
52.14806	0.3
59.01382	22.6
60.99307	17.1
61.98829	8.5
71.01404	0.6
78.95908	0.6
83.04984	0.5
85.02975	0.4
87.00869	2.0
88.00414	2.0
88.98807	100.0
89.02443	24.9
89.99138	0.7
98.20414	1.9
99.04516	2.9
109.06618	0.3
113.02380	0.3
121.02918	0.3
136.63632	0.3
161.46729	0.3
163.11259	0.5
189.63544	0.3
207.10249	0.9
209.11856	1.9
221.89690	0.4
225.11240	1.1
227.12778	0.5
239.11946	0.6
241.13522	0.4
257.64670	0.3
427.21484	0.4
497.21695	0.7
538.97443	0.4
579.25720	0.5
639.24530	1.7
671.16949	0.5
671.32745	1.2
688.86865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2706
Annotation	Taxayuntin
Peak:m/z	Relative Intensity
59.01381	32.0
59.01667	1.1
61.98831	11.1
69.16693	11.4
71.01396	8.8
72.99264	3.2
73.02944	6.0
75.00873	10.3
75.65942	1.1
83.05016	3.1
85.02919	4.9
87.00833	1.3
87.04487	2.0
89.02422	1.9
96.96002	7.1
97.02894	2.6
98.20287	6.0
99.00854	1.5
99.04519	46.3
101.02398	2.3
106.02798	1.1
109.02937	1.1
109.06508	3.2
111.04443	3.8
113.02371	1.5
115.00343	1.3
119.05022	9.2
121.02956	100.0
122.03204	4.4
123.04446	2.2
125.02377	1.4
135.04478	2.0
135.08075	4.0
137.06035	1.8
139.07596	1.4
151.07491	1.1
152.04803	5.2
154.06255	4.8
161.09750	1.2
163.11018	1.3
171.10197	2.0
173.05959	1.4
207.10078	4.7
209.11827	10.4
225.11432	6.1
227.12785	2.7
295.15372	2.5
407.19781	1.1
446.21921	1.3
453.22574	1.3
461.20062	2.2
489.21002	2.9
495.23270	3.9
507.23718	1.9
509.25500	6.6
525.24310	4.7
525.31335	1.1
527.26685	7.2
535.22882	3.0
537.24939	1.3
545.26660	3.9
553.24231	7.7
571.25592	9.0
572.25635	1.3
575.21997	1.5
577.24603	1.3
589.25256	1.6
593.23242	1.6
593.35962	3.4
595.24536	3.6
596.25439	1.4
609.29730	2.5
611.24176	23.1
611.37012	4.0
612.24463	3.2
613.26477	43.5
614.26141	5.6
617.24359	3.0
627.28528	1.8
635.26501	5.0
641.25769	14.6
642.25964	1.8
653.26691	4.6
671.26605	66.5
672.27014	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	671.2711
Annotation	13-Deacetylbaccatin VI
Peak:m/z	Relative Intensity
55.01850	1.0
56.59996	1.0
59.01382	30.6
61.67713	1.2
61.98830	28.0
65.38380	1.2
69.03474	1.3
71.01385	9.3
71.54150	1.3
72.99287	1.8
73.02932	4.5
75.00850	2.6
81.03463	1.1
83.01405	1.3
83.05007	2.4
85.02941	5.1
87.00862	3.6
89.02420	4.2
93.03415	1.2
95.01373	1.7
95.05004	2.6
96.00104	1.3
96.95976	2.7
97.02906	1.5
99.04524	12.2
101.02449	6.2
109.02896	1.2
109.06550	2.7
113.02425	2.6
115.00372	1.3
119.05025	5.7
121.02958	60.7
122.03238	2.4
123.04474	1.3
125.02355	1.3
125.06004	1.1
135.04420	1.9
135.08142	1.6
144.16962	1.1
147.04407	1.3
152.04723	3.4
154.06311	2.1
163.11310	1.6
171.10193	4.4
191.41255	1.2
198.81056	1.1
201.11293	2.8
207.10262	8.2
209.09843	2.3
209.11790	20.9
225.11302	15.1
227.12859	3.3
235.08044	1.2
253.09113	2.1
258.47714	1.2
295.15494	2.7
309.52832	1.1
443.18781	2.1
453.22369	2.0
461.20056	3.3
477.22617	1.7
495.23648	2.6
504.32187	2.0
525.25537	1.7
527.26251	1.4
533.21082	1.7
548.25635	2.6
553.23822	1.5
571.25085	5.3
593.23273	2.7
595.25928	1.8
611.24426	5.8
613.26654	13.2
614.26514	2.2
617.23798	1.6
621.66455	1.2
625.45166	1.5
653.26385	4.8
671.26752	100.0
672.27057	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	671.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.4
59.01381	100.0
61.98830	4.2
69.03471	1.5
71.01390	2.1
73.02946	0.8
79.05540	2.4
81.03481	1.9
83.05009	4.0
85.02951	18.8
93.03419	1.2
95.05020	2.0
97.06623	0.8
98.00121	1.6
98.19853	1.5
99.04504	5.5
101.02447	1.2
101.06106	1.4
107.05038	3.1
109.02956	0.9
109.06600	2.2
111.04515	4.9
113.06068	0.9
119.08677	0.8
121.02969	1.9
121.06573	1.1
122.03752	9.8
123.04504	2.5
125.06032	0.7
127.03957	0.8
133.06583	1.3
135.04507	5.2
135.08176	1.1
141.05542	1.8
143.05002	0.7
157.06668	0.6
159.04535	0.9
159.08174	1.8
161.09749	1.0
163.07651	1.0
167.07135	0.9
171.08170	1.4
173.09727	1.3
175.07616	1.3
179.29849	0.8
180.48531	0.7
183.13821	0.7
189.09198	2.1
192.07881	1.0
193.08740	1.2
199.07597	0.8
200.08347	1.4
201.09171	1.5
201.12831	1.7
207.10228	2.3
209.11774	4.2
217.08546	0.8
225.11296	2.1
229.08577	1.0
229.12350	1.2
253.11977	0.9
255.13914	1.0
424.80487	1.0
447.21191	0.9
465.22495	1.5
475.21210	0.9
491.24088	1.4
493.22073	1.7
507.23587	1.4
509.24973	2.6
510.25616	0.9
523.26099	1.0
525.11377	0.8
525.24615	3.1
535.23254	6.0
539.25153	0.7
543.25946	1.3
553.24329	10.5
554.24231	1.3
567.26208	9.0
568.26532	1.6
585.26959	3.6
595.25439	16.7
596.25470	2.7
627.27570	3.2
639.24457	9.5
640.23975	2.2
653.31372	0.8
671.26709	27.0
672.27100	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	671.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35852	0.6
57.03429	1.1
58.33027	0.7
59.01381	85.0
60.01699	0.8
61.98830	19.7
66.88645	0.6
68.47007	0.6
69.03464	1.0
69.18092	6.8
71.01392	3.6
72.61311	0.7
72.81342	0.6
72.97425	0.7
75.90951	0.6
81.03436	0.9
83.01401	0.8
83.05035	8.3
85.02930	4.2
87.00841	0.7
93.03445	1.3
95.05001	0.8
97.02905	0.9
97.06562	1.1
98.20613	1.2
99.00878	0.8
99.04525	52.4
100.04811	0.9
107.05016	1.4
109.06596	3.7
111.04487	2.5
113.02444	0.9
121.02934	1.8
121.06544	1.1
123.08131	1.0
125.06093	0.8
127.04007	0.8
131.05023	1.3
133.06606	5.1
135.04480	1.8
135.08189	0.8
147.08090	0.9
149.06033	0.9
161.06108	0.7
161.09689	1.6
163.11217	1.9
171.10358	0.8
173.09712	1.2
175.07666	0.8
183.13896	0.8
185.09557	0.9
187.07542	0.9
187.11218	2.8
188.08322	1.2
189.09248	1.0
191.10747	0.8
197.11783	0.8
199.11327	0.8
199.13437	0.8
207.10243	4.8
209.11819	10.3
211.13303	1.3
215.10672	1.6
225.11200	6.3
227.12813	2.2
229.21384	0.7
253.09122	1.2
269.15289	0.9
271.56366	0.7
337.18173	0.7
355.19193	0.7
379.18948	0.9
381.20773	0.9
397.20288	0.9
415.21420	0.8
425.19025	1.3
443.19437	0.9
455.20502	1.3
459.19852	1.1
461.19989	1.2
473.21552	1.5
485.21881	6.8
486.21521	0.8
503.22833	13.1
504.23096	2.9
522.22375	0.7
537.24695	1.8
545.23871	40.3
546.24017	3.8
555.25848	2.1
569.27808	0.9
589.22205	3.3
593.27289	0.9
597.26300	2.6
621.26721	1.0
627.27924	7.5
628.28363	1.3
635.30328	1.3
639.27930	4.0
653.30176	2.0
671.26892	100.0
672.27216	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	671.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46756	0.7
52.40347	0.7
53.84877	0.7
55.01866	0.8
57.03439	1.4
59.01378	87.0
60.01708	1.0
61.98824	2.1
66.77120	0.7
67.57732	0.8
69.03448	0.7
69.08990	0.6
70.39489	0.7
71.01380	1.5
71.05032	0.7
75.00896	1.4
81.03447	3.9
83.05025	3.8
85.02949	100.0
86.03321	1.5
91.05643	0.8
93.83678	0.8
95.05032	0.8
97.02946	2.9
97.06609	0.8
99.04513	11.0
107.05042	2.1
109.02930	1.6
109.06602	1.4
111.04508	2.4
121.06577	1.3
122.03735	1.8
123.04512	1.0
127.03967	1.3
133.06578	5.2
135.04533	3.3
135.08131	1.3
137.26427	0.8
147.08134	1.4
150.03185	0.8
153.05505	0.9
159.08185	1.2
161.09663	2.1
163.07509	1.3
173.09683	2.1
175.07579	1.4
179.44394	0.7
183.08131	0.8
185.06013	0.9
187.07643	1.3
187.11194	1.4
189.09163	1.0
198.06915	0.8
207.10199	0.9
209.11786	1.8
211.13278	0.9
213.09117	3.1
215.10774	1.6
217.08655	1.1
245.11719	0.9
252.79102	0.9
253.12204	1.3
292.17270	0.9
341.13651	2.0
379.19107	1.8
397.19940	1.6
399.17792	1.0
407.18088	2.3
425.19510	3.1
439.20889	0.9
441.18793	1.2
465.22806	1.3
467.20453	3.1
483.23508	1.2
485.21469	3.8
493.21997	2.3
497.25278	1.3
509.25162	2.0
511.23486	2.9
527.22968	2.1
535.23328	6.7
541.27344	0.8
543.25891	13.1
544.25909	1.8
553.24359	6.2
554.24353	0.9
567.25800	2.3
585.27020	3.7
595.26062	4.8
596.26154	1.0
611.28748	0.8
627.28058	18.6
628.28650	3.7
639.23834	1.5
671.26703	31.7
672.27283	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	671.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22319	1.1
57.03450	1.0
57.13095	0.9
58.33809	0.8
59.01381	86.7
60.99023	1.0
60.99303	6.9
61.98830	100.0
62.98510	1.3
69.03458	1.1
71.01392	2.3
71.05023	1.2
78.95873	1.2
81.03460	3.9
83.05032	3.6
85.02952	86.6
86.03310	1.1
87.00861	2.4
88.00405	5.3
88.98804	36.6
88.99356	2.3
89.02447	21.5
93.03445	1.1
93.35534	1.0
95.05051	1.4
97.02948	3.0
99.04517	9.8
107.05055	1.8
109.06573	2.9
111.04514	1.6
121.02966	7.0
122.03722	3.6
123.04539	1.1
133.06584	3.9
135.04544	3.1
138.55788	1.1
149.06033	1.5
157.06622	1.1
159.08121	1.1
161.09700	1.9
163.07669	1.2
163.11243	1.7
167.07143	1.9
188.13258	1.2
189.09164	2.3
207.10217	4.8
209.11839	10.8
213.09218	1.5
215.10814	1.6
217.08865	1.1
225.11281	2.8
227.12842	1.8
229.63246	1.3
325.14301	1.0
341.13730	1.4
379.18896	1.6
389.17603	1.2
399.17523	1.0
407.18732	2.3
425.19763	2.4
441.19147	2.0
461.20319	2.1
465.23041	1.3
467.20450	3.1
485.22134	4.9
493.22208	2.1
497.25153	1.2
500.15112	1.1
511.23416	2.1
535.23181	6.0
543.25946	10.2
544.26556	1.8
544.95990	1.1
551.26642	1.8
553.24286	7.9
554.24463	1.2
567.25952	3.1
576.19037	1.3
585.26929	4.5
586.27557	1.3
595.25415	6.7
596.26001	1.4
627.27942	17.5
628.28290	1.9
639.24396	4.7
671.26642	31.4
672.27472	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	670.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.5
59.01379	76.2
61.98829	60.0
66.46284	1.3
67.27505	1.4
69.03451	1.8
69.27947	13.0
71.01381	30.4
72.99284	2.7
73.02946	8.5
75.82568	1.6
83.01405	2.9
83.11105	1.4
85.02953	19.9
87.00871	2.7
89.02441	8.9
95.01383	3.2
96.96011	4.6
97.06604	4.6
98.20409	7.2
99.00880	4.8
99.04533	3.2
101.02446	16.4
113.02457	18.4
115.00391	2.0
119.03512	2.8
121.02908	1.7
125.02402	3.9
135.82545	1.5
143.10773	2.9
149.56754	1.5
161.04602	10.6
178.68730	1.4
311.25870	3.6
359.27982	4.2
371.11319	2.3
383.11157	1.8
433.28085	6.6
503.32254	100.0
504.32632	10.8
521.33240	20.8
553.32043	1.7
558.66888	2.0
563.34424	28.7
564.34943	2.6
670.28821	10.3
671.32275	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	25.8
61.98827	1.4
67.18447	0.2
71.01370	0.5
72.99302	0.6
82.76853	0.3
85.02953	0.9
94.86803	0.3
95.70981	0.3
98.20676	0.5
99.00864	1.9
99.04516	1.0
101.02482	0.3
103.05516	1.8
111.04529	0.6
119.05019	1.2
121.02967	6.6
122.92836	0.3
123.04552	0.4
133.16153	0.3
147.04523	100.0
148.04858	4.0
149.06117	0.3
193.05017	0.7
194.06058	0.3
209.11783	0.6
211.06087	2.8
241.34480	0.4
377.44034	0.3
399.18039	0.5
425.19693	0.7
443.20697	0.9
461.21780	2.2
473.28345	0.4
593.27063	0.4
617.55481	0.3
669.27979	1.1
669.39618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01378	0.8
60.99304	6.0
69.03455	0.4
69.39667	1.3
71.01378	0.5
81.03476	0.4
83.05045	0.5
85.02952	0.8
91.05533	0.3
93.03456	3.2
99.00877	0.3
107.05036	0.6
117.07100	0.3
119.05045	0.8
129.01958	0.2
129.07083	0.3
133.06607	0.9
135.04564	0.3
136.08173	0.2
138.01974	0.5
143.08667	0.6
145.02983	0.3
145.06586	2.2
145.10255	1.5
146.03671	0.3
147.08180	1.1
149.06226	0.2
150.05605	0.7
151.05974	0.2
155.05037	0.4
155.08679	1.1
156.05783	0.7
157.10217	100.0
158.10551	5.4
159.08147	4.9
160.08463	0.2
161.06088	1.5
161.09717	3.8
163.03909	0.2
171.08131	4.4
173.09714	0.3
174.06898	0.7
175.11252	0.7
178.06453	0.2
185.55165	0.2
187.07610	0.4
189.09198	81.0
190.09529	3.8
201.09207	3.1
202.09528	0.3
207.10287	1.0
219.10249	3.5
233.08142	1.3
237.11325	6.5
237.13721	0.3
238.11539	0.4
281.10284	48.0
282.10648	3.1
421.18658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3855
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
50.78291	0.6
56.12631	0.5
57.03445	1.0
59.01384	7.8
61.98829	5.0
71.01395	1.6
72.99305	0.8
78.61533	0.7
82.25671	0.7
83.04984	0.8
85.02934	2.4
87.00867	1.1
89.02425	0.8
90.02961	0.6
94.24708	0.6
96.96053	0.7
99.04505	4.0
101.02441	1.1
106.28067	0.7
111.04536	0.8
113.06075	0.8
117.22646	0.7
121.02961	14.4
122.03290	1.4
147.04532	9.7
147.08113	0.6
149.06073	5.5
150.06859	38.3
151.07312	1.0
153.09154	0.7
161.09734	0.9
163.07672	9.3
164.08421	5.2
176.08424	1.4
177.09196	0.8
178.10001	2.2
179.10783	10.2
193.08649	0.8
209.11751	0.8
236.47202	0.7
281.21213	1.1
304.32681	0.8
325.23981	1.3
327.21738	4.7
357.26471	0.7
373.20258	1.3
428.29102	0.9
446.30371	9.4
447.30771	1.0
460.32065	1.2
461.32758	9.3
462.33264	0.8
488.31415	1.8
489.32153	2.5
503.24557	1.6
506.32535	3.0
507.33252	25.4
508.26202	0.7
508.33591	2.6
509.25519	1.7
519.23169	0.8
535.23444	1.2
537.24786	2.6
559.23431	1.3
577.24268	3.9
579.26208	2.2
593.27344	1.1
599.25220	1.0
609.27332	1.5
619.25592	1.5
625.29919	0.7
637.26624	2.4
669.29156	12.1
669.38739	100.0
670.29181	2.8
670.39038	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	669.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
57.03450	1.7
58.00589	1.1
58.26424	0.3
59.01379	24.6
61.98825	4.0
66.56074	0.3
68.58836	0.3
68.78607	0.3
69.03446	0.4
69.99111	0.2
71.01381	28.0
72.99297	2.4
73.02943	7.2
75.00884	0.6
83.01386	4.3
85.02949	14.5
85.03474	0.7
86.00092	0.5
87.00865	1.8
89.02445	9.0
91.59381	0.4
94.06751	0.3
95.01373	2.3
96.96037	0.4
97.02943	0.5
99.00880	3.0
99.04510	0.4
101.02441	19.2
102.02783	0.4
103.04031	0.4
111.00869	2.1
113.02453	10.1
119.03506	2.7
121.02957	0.4
125.02441	0.9
128.04472	0.3
129.01888	0.5
131.44763	0.3
143.03476	0.7
149.06033	0.4
159.02966	1.3
161.04568	2.4
179.05647	0.5
211.13379	3.0
223.20819	0.3
345.30048	1.9
397.13684	1.8
415.14603	0.8
453.51822	0.3
507.28561	0.3
507.35352	7.7
508.35532	0.7
565.31976	0.4
578.23785	0.3
669.40698	100.0
670.30548	0.9
670.41046	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	669.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	22.8
61.98833	2.0
71.01403	1.0
71.53084	0.4
72.45778	0.3
77.57926	0.3
79.05537	0.6
79.79317	0.3
81.03432	0.3
83.01379	3.3
83.05045	0.8
85.02950	2.7
93.03495	0.4
96.97979	0.3
97.06615	1.0
97.38680	0.3
99.04520	41.9
100.04884	0.5
105.07124	0.4
107.05042	0.5
108.02203	0.6
111.04543	0.4
111.08168	0.3
121.02959	1.6
121.06588	0.6
125.06109	0.4
129.07106	0.4
131.05072	0.9
132.24849	0.3
132.25833	0.4
133.06624	3.5
135.08211	0.3
140.27264	0.3
144.05795	0.4
145.06599	0.7
147.04459	0.5
147.08177	1.4
149.06052	0.5
151.07642	0.5
152.08258	0.3
157.06599	0.5
159.04510	0.3
159.08179	1.2
161.09743	2.3
170.07387	1.1
171.08176	1.3
173.06113	0.8
173.09717	0.9
183.08180	0.7
184.05247	0.9
185.09756	2.3
187.11296	2.2
189.09244	0.5
195.08150	0.5
197.06093	1.0
197.09735	0.4
198.06868	3.7
198.18559	0.3
199.07639	12.3
200.08081	0.8
201.09201	0.4
201.12878	0.5
211.07675	0.9
211.11365	0.5
212.08412	1.2
213.06059	0.4
213.09198	10.9
214.09909	1.5
215.10820	1.4
225.09189	0.5
235.11334	0.4
237.09204	0.9
241.12425	1.6
243.13966	0.3
245.11804	0.7
249.12926	0.5
251.10800	0.6
252.11542	0.5
253.12416	0.6
262.09995	0.4
263.10767	0.4
265.12442	0.4
266.09195	0.4
267.13834	0.8
277.12238	1.1
279.10022	0.4
280.11029	0.8
281.11908	2.2
285.15002	1.3
291.13940	0.4
295.13422	3.3
295.16736	0.6
296.13864	0.5
305.15518	0.5
307.20648	0.5
313.11603	0.4
313.14844	0.7
317.15488	0.5
319.13409	0.6
319.17114	0.8
323.16461	0.5
333.18460	0.6
335.16504	2.0
335.20087	0.5
343.17087	0.5
346.15723	0.7
353.17477	1.0
361.18005	2.4
365.17563	1.2
367.19220	0.7
379.19107	0.9
383.18259	0.5
383.22552	0.8
399.21637	0.9
409.19986	1.9
411.18011	0.6
427.21225	24.9
428.21713	2.6
433.20270	0.5
451.21356	1.1
457.22516	2.5
459.23907	3.8
460.23880	0.5
465.22968	1.2
469.22488	1.1
473.23297	0.5
481.26288	2.1
491.24506	1.2
493.22299	1.2
495.20135	0.6
501.24991	0.6
509.25427	100.0
510.25769	11.4
510.33624	0.4
511.23318	4.4
523.26788	2.1
525.25085	2.2
533.25403	4.2
541.28107	8.5
542.28558	0.9
543.25964	2.7
544.26025	0.5
549.28467	1.0
551.26520	16.1
552.26990	1.6
565.27881	1.5
575.26788	0.3
583.29187	0.9
593.27539	72.2
594.27826	10.4
607.28149	0.5
625.30145	27.2
626.30487	4.5
637.26617	1.2
637.57581	0.4
669.29254	4.8
670.29517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06981	0.3
58.65766	0.3
59.01379	24.1
61.98830	7.9
65.55399	0.3
65.80450	0.3
71.01382	1.5
71.47991	0.3
73.02934	0.4
79.05517	0.7
81.03474	0.4
83.01376	3.5
83.05052	0.9
85.02943	2.4
93.03429	0.8
95.05056	0.8
97.02935	0.6
97.06593	0.7
99.04519	48.1
100.04843	1.5
100.61073	0.3
105.07098	0.9
107.03790	0.4
107.05062	0.6
109.06603	0.8
111.04529	0.4
121.02950	1.6
121.06541	0.4
123.04531	0.4
123.08148	0.8
125.06088	0.7
125.19941	0.3
129.07133	0.4
131.05006	0.8
133.06602	4.5
135.04465	0.4
135.08162	0.7
137.06081	0.5
143.08607	0.3
145.06607	0.9
147.04449	0.6
147.08160	2.3
151.07597	0.7
157.06610	0.8
158.07201	0.5
159.08121	1.4
161.09705	2.8
163.07664	0.4
169.06581	0.4
170.07401	1.8
171.08188	1.6
173.06047	0.7
173.09744	0.8
178.14244	0.3
183.08105	0.7
184.05315	0.8
185.09708	2.9
187.07654	0.5
187.11293	2.0
189.09157	0.6
197.06038	1.1
197.09883	0.3
197.11890	0.6
198.06876	4.3
199.07639	12.0
200.08009	0.7
209.11818	2.2
211.07622	1.0
211.11301	0.5
212.08391	1.0
213.09207	10.7
213.12457	0.4
214.09807	1.3
215.10785	1.6
223.07565	0.5
225.09033	0.4
227.10831	0.4
231.10226	0.3
237.09210	0.5
241.12401	1.6
243.13898	0.7
245.11871	0.5
251.10797	0.8
251.14435	0.5
252.11464	0.5
253.12250	0.6
263.10788	0.5
266.09470	0.4
267.13736	0.8
277.12296	1.2
279.10245	0.7
279.13721	0.5
280.11041	1.1
281.11877	2.3
285.15112	1.1
295.13464	3.0
295.16501	0.6
296.13800	0.4
305.15207	0.4
307.17273	0.5
309.14957	0.4
317.15475	0.5
319.17038	0.5
323.16345	0.7
333.18491	0.5
335.16522	2.7
335.20081	0.5
343.13107	0.5
343.16931	0.6
353.17496	0.6
361.18036	3.2
365.17599	1.1
367.19189	0.7
379.19305	0.8
383.18274	0.6
391.18958	0.4
399.21722	1.3
409.20062	2.8
415.22400	0.6
421.20178	0.5
427.21210	28.8
428.21579	3.3
433.20258	0.6
451.21271	1.3
457.22272	2.7
459.24066	3.4
465.22025	1.9
469.22360	1.2
481.26004	2.8
482.26385	0.5
491.24246	1.3
493.21945	1.7
495.20831	0.4
501.25320	0.7
509.25415	100.0
510.25790	13.1
510.32230	0.3
511.23126	3.9
512.23505	0.7
523.27240	1.8
524.27374	0.5
525.24719	2.3
533.25464	4.7
534.25812	0.5
541.20587	0.6
541.28149	8.7
542.28442	1.2
543.26147	2.8
549.28088	0.5
551.26526	16.3
552.27075	2.3
565.27802	1.6
575.25952	0.5
583.29114	0.5
593.27521	70.3
594.27863	8.9
601.06842	0.4
607.28796	0.4
625.30188	25.1
626.30548	3.6
637.26648	3.5
638.26807	0.5
669.30292	6.3
670.30701	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2914
Annotation	Moluccensin E
Peak:m/z	Relative Intensity
51.69525	1.1
59.01379	40.0
61.98829	22.8
61.99931	1.2
71.01366	4.8
72.99312	2.7
75.00883	1.4
79.05523	2.4
85.02943	3.4
87.00875	1.4
88.98830	1.4
93.03480	1.5
95.05001	1.8
96.96024	1.4
99.04523	10.9
101.02439	2.4
103.00388	2.4
103.05493	1.7
105.99708	1.1
107.05006	1.2
109.06543	1.2
109.45081	1.1
111.02238	1.3
116.92774	1.7
119.04993	1.9
121.02959	37.1
124.33659	1.1
125.06018	1.3
133.01453	2.2
133.10258	2.3
135.04433	2.1
135.08130	1.9
147.04523	66.7
148.04875	1.7
161.09674	1.5
163.07626	2.5
174.17128	1.2
191.05548	1.4
218.55588	1.3
225.11241	1.5
341.13965	1.3
373.20255	8.0
455.21027	2.2
503.24481	9.8
559.23254	4.9
577.24231	8.3
579.25812	9.7
591.26233	12.4
609.26874	8.6
619.25775	3.0
625.31940	1.7
627.30475	2.3
631.27942	2.0
637.26941	6.7
651.29572	1.7
669.29346	100.0
670.29523	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	669.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13922	0.2
57.03412	0.3
59.01381	26.3
61.98834	2.6
62.70218	0.2
69.39921	1.1
69.40346	0.5
70.82709	0.2
71.01374	0.9
72.99297	0.6
75.60091	0.2
83.05018	0.4
85.02950	0.9
85.89250	0.2
87.00835	0.2
93.03462	0.5
94.85793	0.2
97.02953	0.3
97.26770	0.2
99.00897	1.8
99.04536	1.2
101.02413	0.4
103.05531	1.4
107.05037	0.3
108.62576	0.2
111.04512	0.5
113.02466	0.3
119.05006	1.3
121.02956	7.6
121.06541	0.3
122.03236	0.4
125.02494	0.3
135.04639	0.2
135.08264	0.2
147.04521	100.0
148.04845	3.5
149.90298	0.2
165.05597	0.3
167.03474	0.3
175.50327	0.2
183.06668	0.3
193.05136	0.6
196.25426	0.2
209.11856	0.5
211.06099	2.8
285.06149	0.2
425.19766	0.6
440.61749	0.2
443.20959	0.5
461.21826	1.6
509.25491	0.7
593.27216	0.4
609.27606	0.3
625.26843	0.6
637.26593	0.5
669.28033	1.5
669.38727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78960	0.8
59.01377	16.9
60.01705	1.9
61.01794	1.2
61.98831	100.0
65.43691	0.9
69.15622	5.5
69.16054	2.9
82.95400	3.6
83.05035	1.6
85.02959	4.2
87.65761	0.9
93.14514	0.8
95.05048	0.9
97.06579	2.7
98.00083	1.2
98.47752	0.8
99.04523	8.9
109.42467	0.8
115.04003	1.0
115.05531	1.2
119.05006	1.5
121.02956	10.9
122.03263	1.0
128.75981	0.8
133.06529	0.8
141.07126	5.2
143.04990	1.8
144.97717	1.0
145.06522	0.8
147.04526	17.3
155.08679	2.4
156.05795	1.0
157.06541	1.5
159.08162	1.3
166.58559	0.8
167.08710	0.9
184.05331	6.6
185.06033	1.6
209.11818	1.2
213.09052	1.4
223.13412	1.2
232.54788	0.8
235.07394	0.8
273.16519	3.1
289.16147	0.9
291.31308	0.8
339.72595	0.8
344.76547	1.0
348.36649	0.8
381.22015	1.0
399.23413	1.2
427.20984	1.4
471.27374	1.5
493.22665	0.8
509.25192	3.3
513.26605	4.7
529.26477	1.0
538.06586	1.0
545.29315	1.1
549.23822	1.1
551.25793	2.3
557.25671	5.2
585.27136	1.4
589.28729	1.0
593.27521	4.0
601.24353	2.8
633.27032	59.9
634.27264	8.7
637.26367	8.8
638.26776	1.1
669.29102	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	669.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01709	0.6
61.98833	2.7
72.20254	0.4
78.95895	1.1
85.02947	21.1
99.04519	17.6
101.06084	6.0
103.05536	0.5
119.05032	0.6
147.04517	17.1
148.04829	0.4
152.99648	0.5
171.65074	0.4
197.33466	0.4
227.10851	1.2
311.82010	0.5
355.16794	0.4
363.15955	0.6
409.20056	0.6
427.21310	1.0
437.19904	1.3
463.21436	1.0
509.25668	1.3
523.23651	1.9
541.27820	1.9
549.00336	0.5
549.25140	0.8
567.26013	0.7
587.26465	5.7
588.27258	0.6
593.31354	1.1
625.34100	2.0
669.31628	14.1
670.31775	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	669.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
59.01379	26.5
61.98828	16.5
63.99261	0.4
65.79659	0.4
71.01385	1.6
83.01368	1.2
83.05027	0.7
85.02940	2.5
91.78204	0.4
96.96018	0.7
97.02921	0.5
98.20276	2.4
99.00882	1.0
99.04520	9.4
101.02405	0.8
103.05558	1.2
111.04539	0.6
113.02483	0.4
119.04993	1.3
121.02956	4.2
122.03286	0.8
123.04561	0.5
125.09720	0.6
147.04518	100.0
148.04845	3.6
154.99869	4.2
161.05995	0.5
163.07533	0.5
177.86639	0.5
196.00502	0.4
207.10370	0.6
209.11847	0.4
211.06079	1.1
211.13304	0.5
218.46840	0.4
225.11334	0.5
263.16980	0.4
457.22589	0.7
461.21350	0.7
509.25583	1.1
537.25391	1.2
545.27856	0.6
555.25922	4.5
556.25635	1.0
587.28448	6.9
593.28589	0.5
609.39587	0.6
633.29181	0.6
637.26990	1.6
651.28400	0.5
669.29614	6.2
670.31775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54369	5.4
53.86892	5.0
59.01377	84.9
61.98830	89.6
69.03435	11.8
70.28745	18.2
71.01388	60.1
72.99299	13.2
73.02928	14.7
75.71997	5.1
77.63580	5.6
85.02943	35.9
87.00844	9.4
89.02457	27.7
95.01399	5.7
96.96016	9.1
97.02958	44.2
98.20383	10.5
99.00893	33.6
99.04491	8.8
101.02435	33.8
107.04993	6.4
109.02985	7.9
111.04549	8.1
112.96526	6.8
113.02429	24.0
115.04016	44.4
119.03522	8.6
119.05041	7.9
121.02950	27.9
125.02420	6.6
135.04504	5.6
135.22826	5.2
149.06036	11.9
177.09181	5.7
193.05063	8.5
215.10872	7.2
362.30106	5.7
457.18665	12.7
489.84476	6.3
506.33984	7.1
507.34842	10.2
555.22266	10.7
601.22827	100.0
602.23358	9.2
668.39923	51.3
669.22070	39.2
669.41547	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69363	0.6
59.01376	1.1
64.85111	0.4
69.35476	3.6
85.02941	1.0
93.50275	0.4
97.02939	0.5
101.13338	0.4
106.56800	0.5
109.02951	1.5
123.00854	0.6
124.01654	2.5
125.02438	4.6
132.64140	0.4
135.00905	0.6
135.04559	0.7
136.01662	1.1
137.01465	0.9
137.02437	10.6
138.03224	3.7
139.04001	5.9
150.03137	0.7
151.04013	2.9
152.04823	3.3
153.05522	1.0
157.35861	0.4
162.03148	1.0
163.04021	1.0
164.04782	1.2
165.05521	1.0
168.40808	0.4
175.04025	0.5
176.04781	1.2
177.05560	3.1
179.03549	0.9
179.07111	0.5
180.04263	3.4
181.05074	6.3
189.05708	0.5
190.06393	0.4
191.07097	0.8
194.05843	3.5
195.04848	0.9
195.06621	15.4
196.07011	0.7
206.05798	0.6
207.06615	2.1
208.07323	0.5
209.08118	2.5
214.96587	0.6
221.07996	0.5
223.06145	0.5
238.08420	0.6
246.99162	0.6
253.10973	0.6
271.02536	0.5
299.01956	0.5
361.12930	3.3
375.14401	2.0
391.14014	9.0
392.14191	0.8
406.16354	12.1
407.16544	1.4
421.18680	100.0
422.18985	10.0
607.12524	1.1
674.30157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.7
61.98829	100.0
71.01404	0.2
71.52628	0.3
73.02946	0.4
85.02952	3.6
86.03274	0.3
87.04523	0.3
97.06604	0.6
99.04518	4.3
100.04863	0.5
101.06134	0.3
121.02929	1.6
122.03288	0.4
123.08172	0.4
132.46591	0.2
147.04546	0.3
150.74156	0.2
197.11877	0.3
209.11865	0.4
225.11255	0.3
227.13040	0.3
279.10153	0.2
354.18054	0.2
427.21570	0.5
464.30618	0.2
465.31158	0.3
466.31970	0.4
505.32108	0.3
506.32141	1.1
507.32309	1.8
508.32553	2.9
509.25464	1.9
509.32590	0.3
548.34021	0.3
549.33850	0.8
550.33521	1.6
576.33813	0.2
593.27649	1.5
609.31116	0.4
625.30316	0.6
668.31714	3.0
669.29651	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.7
61.98829	100.0
71.01404	0.2
71.52628	0.3
73.02946	0.4
85.02952	3.6
86.03274	0.3
87.04523	0.3
97.06604	0.6
99.04518	4.3
100.04863	0.5
101.06134	0.3
121.02929	1.6
122.03288	0.4
123.08172	0.4
132.46591	0.2
147.04546	0.3
150.74156	0.2
197.11877	0.3
209.11865	0.4
225.11255	0.3
227.13040	0.3
279.10153	0.2
354.18054	0.2
427.21570	0.5
464.30618	0.2
465.31158	0.3
466.31970	0.4
505.32108	0.3
506.32141	1.1
507.32309	1.8
508.32553	2.9
509.25464	1.9
509.32590	0.3
548.34021	0.3
549.33850	0.8
550.33521	1.6
576.33813	0.2
593.27649	1.5
609.31116	0.4
625.30316	0.6
668.31714	3.0
669.29651	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
59.01381	26.0
61.98832	100.0
71.01381	5.5
71.02204	1.0
72.99306	1.6
73.02949	1.3
77.51781	0.9
78.91893	1.4
80.82914	0.9
81.02186	2.5
81.03468	0.9
82.02972	4.8
85.02951	42.2
85.03474	2.1
86.03263	1.0
87.00870	2.3
88.98826	2.3
89.02432	4.2
96.95982	1.1
99.00940	1.1
99.04494	2.2
101.02446	2.4
121.02951	14.4
123.08138	0.8
125.02430	1.4
143.95702	1.0
147.04520	16.1
150.05594	1.7
158.06029	1.4
159.06886	3.0
168.06656	4.1
186.09251	1.0
209.11801	5.6
210.12160	3.0
227.09476	3.9
229.15475	1.0
245.10457	1.6
261.30927	0.9
295.15460	3.3
342.14685	3.9
357.17026	6.4
397.13412	3.6
398.13742	4.0
415.14700	2.5
457.22427	1.0
464.11227	1.0
496.27353	1.1
501.30563	2.1
534.27228	2.3
553.63049	1.0
559.23285	1.3
564.29413	1.2
577.24591	5.0
579.26019	5.9
582.30298	0.9
590.28101	1.7
591.26318	1.3
605.29004	2.8
608.28650	4.9
609.27216	1.8
619.25537	2.5
626.29742	11.4
627.30048	1.2
637.26587	3.7
650.29828	4.0
668.30743	98.4
669.30444	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	668.236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24680	0.2
54.55819	0.3
55.55925	0.2
59.01373	0.4
61.89620	0.2
61.98828	100.0
69.46944	1.8
119.97299	0.3
140.55566	0.3
171.10284	2.8
172.10687	0.5
277.21667	1.5
278.22131	0.6
345.03070	0.3
375.51416	0.2
441.34177	0.2
514.19916	0.3
529.22339	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41922	0.2
59.01377	0.5
59.03415	0.2
61.98829	100.0
62.98518	0.2
71.52118	0.2
77.74980	0.1
98.20155	0.2
121.02937	0.3
150.05511	0.2
175.21823	0.2
277.07596	0.2
332.57214	0.2
439.99728	0.2
591.39612	0.2
695.15778	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
61.98829	100.0
63.60756	0.2
65.13976	0.3
65.55877	0.2
80.60495	0.2
99.04547	1.0
110.05515	0.2
121.02976	0.5
146.02046	0.2
147.04501	0.4
271.48349	0.3
273.94031	0.3
353.11392	0.2
448.45114	0.2
566.27820	0.5
632.29498	0.3
636.21899	0.3
668.31494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41222	0.2
59.01368	0.8
61.98830	100.0
71.52566	0.2
77.01484	0.2
101.06116	0.2
121.02952	1.1
122.03300	0.3
125.15556	0.2
143.93459	0.2
145.53691	0.2
147.04535	0.6
176.52324	0.2
435.87790	0.2
544.30402	0.3
610.34790	0.4
668.25018	0.2
669.30933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
59.01381	26.0
61.98832	100.0
71.01381	5.5
71.02204	1.0
72.99306	1.6
73.02949	1.3
77.51781	0.9
78.91893	1.4
80.82914	0.9
81.02186	2.5
81.03468	0.9
82.02972	4.8
85.02951	42.2
85.03474	2.1
86.03263	1.0
87.00870	2.3
88.98826	2.3
89.02432	4.2
96.95982	1.1
99.00940	1.1
99.04494	2.2
101.02446	2.4
121.02951	14.4
123.08138	0.8
125.02430	1.4
143.95702	1.0
147.04520	16.1
150.05594	1.7
158.06029	1.4
159.06886	3.0
168.06656	4.1
186.09251	1.0
209.11801	5.6
210.12160	3.0
227.09476	3.9
229.15475	1.0
245.10457	1.6
261.30927	0.9
295.15460	3.3
342.14685	3.9
357.17026	6.4
397.13412	3.6
398.13742	4.0
415.14700	2.5
457.22427	1.0
464.11227	1.0
496.27353	1.1
501.30563	2.1
534.27228	2.3
553.63049	1.0
559.23285	1.3
564.29413	1.2
577.24591	5.0
579.26019	5.9
582.30298	0.9
590.28101	1.7
591.26318	1.3
605.29004	2.8
608.28650	4.9
609.27216	1.8
619.25537	2.5
626.29742	11.4
627.30048	1.2
637.26587	3.7
650.29828	4.0
668.30743	98.4
669.30444	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	667.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	50.4
61.98810	100.0
66.06558	35.7
71.52930	49.2
71.53335	48.5
78.95869	38.8
83.66900	36.0
85.45200	33.8
113.21404	42.0
151.58452	41.1
181.75484	35.5
222.62436	34.9
233.47443	47.3
255.23123	48.0
323.71402	42.4
355.65295	44.4
508.09006	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	667.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01377	12.7
59.82627	0.6
61.98827	2.4
69.07014	0.6
70.05798	1.5
70.06193	1.2
83.05029	1.0
84.22925	0.6
87.00857	0.8
88.89342	0.5
95.87984	0.5
97.06565	0.7
98.00117	1.5
99.04517	100.0
100.04853	1.9
107.05022	0.6
109.06572	1.0
121.02942	1.9
123.04514	1.7
124.40221	0.5
125.88794	0.5
133.06549	0.7
135.08168	1.0
137.09717	6.1
147.08165	0.9
155.07143	0.9
172.08931	0.6
187.11276	2.0
195.86246	0.6
222.35689	0.6
353.17374	1.3
357.16983	1.3
371.18665	1.5
379.19235	1.3
391.19171	0.8
397.81012	0.5
409.20157	2.1
427.21228	9.2
445.22299	6.2
459.23770	0.7
491.24786	1.2
509.25421	31.4
510.25720	4.0
541.27820	0.7
553.24622	0.9
585.27148	2.3
591.29669	15.2
592.29889	2.4
618.02002	0.5
623.32489	5.0
624.32562	0.8
635.28729	5.7
667.31250	37.1
668.31702	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	667.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00900	0.8
59.01379	100.0
60.01694	1.0
61.96313	0.7
61.98828	14.3
71.01369	1.0
71.44935	1.1
71.65570	0.7
77.64066	0.7
79.05495	1.2
83.05031	1.4
85.02945	7.1
88.98824	4.0
93.03446	1.1
96.79917	0.9
99.04519	36.5
103.91998	0.9
104.61152	0.9
121.02956	75.9
123.04527	1.5
133.06592	1.4
135.04517	4.4
147.04518	1.4
157.06517	0.9
168.85159	0.8
182.49025	0.8
225.11220	0.9
289.92392	1.0
341.04962	0.9
409.20016	0.9
452.21970	1.1
468.24719	0.8
531.23950	2.5
543.25928	1.7
547.26849	6.7
549.24933	6.4
565.27972	1.6
573.24841	1.4
585.26868	1.2
589.28009	39.1
590.28357	5.0
591.25958	11.5
592.26294	2.4
593.23871	4.8
605.15942	7.4
623.28650	0.8
635.25153	14.5
636.25433	2.3
667.27942	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	667.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47691	0.5
55.25990	0.5
59.01373	1.3
61.98823	2.3
68.81838	0.5
80.91660	0.5
83.05010	0.6
97.02968	1.3
98.20670	1.1
99.04519	100.0
100.04864	1.7
105.07050	0.6
109.06575	0.8
121.02951	4.4
123.04534	1.8
133.06595	4.0
135.08147	1.2
137.09691	6.0
147.08212	0.5
151.07648	0.6
159.08150	0.7
161.09760	1.9
171.08138	0.8
173.09746	2.4
183.08125	1.0
185.09805	0.7
187.11305	2.4
213.09204	2.1
323.16507	0.7
347.20056	0.7
361.17975	3.1
371.18500	1.1
379.18826	0.7
391.19025	4.7
409.20160	2.7
427.21216	16.2
428.21387	0.8
445.22305	8.6
445.27823	0.9
446.22739	0.8
459.23837	1.2
491.24387	5.1
509.25430	26.8
510.26019	2.5
541.27875	2.7
547.05988	0.6
547.27020	1.6
549.28839	0.9
553.23901	0.6
585.27197	1.5
591.29596	27.4
592.29926	2.9
623.32227	8.2
624.32245	1.2
635.28485	0.8
639.31696	0.8
667.31232	55.6
668.31573	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	667.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
61.98830	7.7
62.33199	0.5
66.20160	0.5
69.93949	0.7
69.94362	1.8
71.01379	0.6
73.11890	0.5
82.31207	0.4
83.05075	0.7
87.00890	0.8
88.34553	0.5
92.42968	0.5
95.05047	0.8
97.02989	0.9
98.20610	0.5
99.04520	100.0
100.04855	1.6
105.07123	0.7
109.06554	0.7
121.02920	0.7
121.06600	0.8
123.04547	1.8
125.06046	0.8
133.06601	5.0
135.08145	1.4
137.09726	4.4
143.08679	0.5
147.08159	1.0
159.08078	0.7
161.09706	1.6
173.09717	2.1
183.08176	1.0
185.09663	0.8
187.11269	2.3
198.06796	0.6
199.07634	0.7
213.09181	1.6
219.39078	0.5
222.81305	0.5
232.53818	0.5
305.15363	0.6
335.20334	0.7
337.72910	0.5
339.15936	0.7
347.20200	1.1
361.18005	2.8
371.18729	0.9
391.19028	4.2
409.20261	2.6
427.21228	13.0
428.21756	1.4
445.22278	6.2
459.23755	0.9
491.24417	4.2
509.25430	21.6
510.25815	2.3
541.28210	1.6
549.28503	0.7
553.24176	1.0
565.27448	0.7
573.28827	0.7
585.27045	0.8
591.29578	22.8
592.30078	4.4
623.32202	6.9
624.32587	1.5
667.31250	44.5
668.31549	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	667.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75632	0.7
55.01857	1.0
59.01386	6.3
61.98831	6.3
69.92648	3.7
78.14738	0.8
83.04998	0.8
87.00871	1.1
97.02975	1.0
97.06589	0.9
98.00089	1.5
99.04520	100.0
100.04857	1.9
107.05067	1.6
118.78752	0.7
121.02958	27.5
121.06595	1.7
122.03284	7.1
123.03468	1.7
123.04536	2.2
133.06573	1.2
135.04576	1.2
137.09735	5.1
147.04507	0.8
147.08261	0.8
161.09734	0.9
172.08929	0.7
175.03970	1.4
187.11278	2.2
213.09441	0.8
247.90630	0.9
275.11212	0.7
291.17908	0.9
295.13501	1.1
353.17545	1.0
361.18219	1.0
371.18765	1.4
407.23688	0.7
409.20160	1.3
427.21317	8.6
445.22250	6.1
459.23813	0.9
491.24655	1.0
509.25394	29.8
510.25845	3.7
541.27808	0.9
547.26843	1.1
581.27222	1.4
585.27606	2.3
591.29773	13.3
592.30292	2.0
623.32361	5.2
635.29413	4.5
636.29626	1.1
667.31580	33.1
668.31689	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	667.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79736	0.5
57.03447	19.4
59.01379	14.8
64.69549	0.5
69.03452	1.5
70.81591	1.1
71.01379	3.7
73.02931	1.1
77.20872	0.5
81.03440	1.1
83.01404	0.7
85.02955	2.8
87.00854	0.5
89.02443	1.6
95.05013	1.2
96.96004	1.2
97.02981	1.3
97.06583	2.1
98.26409	0.5
99.00887	0.8
99.04520	15.4
99.08131	0.7
101.02439	7.8
103.43752	0.6
106.25999	0.7
109.06596	7.3
113.02433	1.6
119.05024	1.9
120.79071	0.5
121.06586	0.6
123.04528	1.1
123.08183	4.9
124.05306	8.1
125.02435	7.0
129.01921	1.6
129.09242	1.7
135.04507	2.1
135.08202	0.7
136.05307	3.5
137.02362	0.5
137.06097	0.8
139.07651	36.4
140.07990	1.4
143.03485	0.9
147.02972	1.8
149.09644	1.0
151.07643	19.9
151.11273	1.6
152.08015	0.7
153.09222	4.7
161.04520	2.6
161.09734	3.4
163.03998	2.0
163.07681	1.0
163.11295	1.0
165.09245	1.0
169.08694	1.8
173.09708	0.6
175.07599	1.0
177.09161	0.6
179.03560	0.6
179.05598	0.7
179.10776	22.5
180.11131	1.0
181.12335	1.5
189.09235	1.1
191.01958	0.8
191.10757	6.2
197.11903	3.0
207.10228	1.2
209.11824	11.2
227.12872	11.3
233.10617	0.6
234.10283	0.5
251.11324	5.1
271.11859	100.0
272.12140	4.8
293.12439	6.0
333.15274	1.1
395.15555	25.8
396.15909	1.9
527.48102	0.7
536.41022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2773
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
59.01370	6.0
61.98829	17.0
69.30590	6.1
69.30988	3.5
71.01369	2.6
71.66160	1.3
80.36588	1.1
88.63118	1.2
89.02443	1.5
99.04486	1.3
101.02444	1.8
111.67891	1.1
114.07745	1.2
115.29977	1.3
127.11315	1.2
171.10266	100.0
172.10631	3.5
193.14490	1.3
199.17009	11.8
211.08752	3.8
237.06679	5.4
238.06975	1.3
253.09306	6.4
269.09332	1.5
277.21716	63.0
278.22092	4.1
287.33081	1.2
475.17664	3.6
476.18246	1.8
489.19351	14.4
490.19696	4.0
513.30835	1.3
533.18427	5.9
534.18768	2.5
549.21442	4.9
593.23956	2.0
631.40741	3.5
635.25061	70.5
636.25629	21.0
637.26495	1.5
652.25372	9.3
667.27765	44.4
668.28271	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	667.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17704	1.2
59.01378	30.7
61.98829	57.7
68.31828	1.2
71.01375	5.5
71.53353	1.4
72.99305	64.7
73.02946	1.3
73.23190	1.1
78.33437	1.0
83.01419	1.1
83.05006	2.8
85.02950	5.3
87.04489	1.7
87.91930	1.1
88.76092	1.1
88.98812	1.4
95.05029	1.2
99.00864	1.7
99.04509	5.0
101.02464	1.4
111.04499	3.8
115.00354	1.2
119.05025	1.3
121.02956	100.0
121.06519	1.5
122.03288	3.3
133.06602	2.2
135.04504	1.4
145.02948	2.0
147.04510	16.8
148.04848	1.5
169.23354	1.2
187.11256	2.2
213.09210	1.8
249.56018	1.4
385.88928	1.3
409.20395	1.6
427.21106	1.6
439.92926	1.3
505.25812	1.7
513.22491	1.4
531.23773	12.2
535.23523	1.4
549.24866	16.5
550.25238	1.9
573.24872	10.5
575.22449	1.7
586.52466	1.4
589.89795	1.4
591.25983	25.0
592.26019	2.6
593.23706	14.2
604.84735	1.2
605.27441	4.6
607.25446	5.5
607.36310	2.0
617.23663	1.9
623.28772	2.3
629.25751	2.6
635.24878	44.3
636.25244	6.5
649.26440	2.2
667.27051	19.5
667.38556	5.9
668.27429	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64017	0.5
56.41761	0.6
59.01381	42.4
61.98834	10.3
63.99265	0.8
71.01391	2.7
72.99320	3.5
79.91207	0.6
85.02943	3.8
87.00888	1.8
87.04522	3.3
91.51549	0.6
93.03458	1.8
95.01366	0.7
95.05038	1.5
97.02923	0.9
99.00886	5.7
99.04527	1.6
103.05552	2.5
103.51701	0.6
107.05033	1.3
109.02930	1.3
111.04540	3.3
119.04979	2.8
121.02952	9.4
121.06609	2.0
123.04542	2.5
125.02464	1.4
127.04008	2.1
135.04501	1.9
137.06105	0.9
139.04016	0.9
145.02876	1.5
147.04526	100.0
148.03825	0.7
148.04784	3.6
149.06061	2.6
151.04002	1.8
165.05598	2.0
167.03574	1.4
175.04010	1.4
177.05569	1.0
193.05086	4.8
194.05798	1.0
211.06142	2.2
217.08722	0.8
251.46938	0.6
297.33984	0.7
353.54861	0.6
397.16376	1.5
408.47238	0.7
415.17450	3.6
423.17899	1.0
431.20334	0.6
441.19055	3.5
459.20242	3.7
475.19809	1.2
477.21365	3.1
513.17700	0.8
545.20532	3.6
561.84265	0.7
563.23352	2.0
571.23163	0.6
589.24738	4.9
607.25513	39.0
608.25635	5.6
631.27521	2.5
667.29138	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	667.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.6
57.03439	2.5
58.00569	1.0
58.79623	0.8
59.01379	70.8
59.88735	0.8
61.98829	20.5
62.32930	0.8
63.80599	1.0
69.03456	1.0
71.01377	23.0
71.54575	1.1
72.99025	0.7
72.99319	8.1
73.02935	4.3
75.00881	1.1
81.03452	1.5
83.01382	2.6
83.05009	2.1
85.02951	14.9
87.00874	5.5
87.04513	1.3
88.98802	2.9
89.02438	8.3
93.03444	3.1
95.01380	1.8
95.05025	1.2
96.96004	1.3
97.02932	2.5
98.20238	1.3
99.00888	9.6
99.04505	3.5
101.02441	11.2
103.04021	1.1
103.05517	2.0
107.05054	1.7
108.02180	0.8
109.02973	2.2
109.06613	1.0
111.04507	5.3
113.02443	8.0
119.03488	3.2
119.05004	2.4
121.02946	8.5
121.06591	1.6
123.04556	4.3
125.02431	3.3
125.06061	1.0
127.04066	4.2
130.76337	1.0
135.04506	1.4
137.06067	2.3
139.04024	2.5
147.04517	100.0
148.04826	3.0
149.02412	1.7
149.06078	4.0
151.04021	2.1
161.04578	1.3
161.06009	1.0
163.03999	1.2
165.05560	3.9
167.03432	3.0
167.07027	1.0
182.19026	0.9
185.09660	1.3
193.05034	11.4
193.78369	0.9
194.05655	1.3
195.06593	1.2
196.65819	1.0
210.68288	1.0
211.06094	6.3
299.01883	0.9
320.90836	0.9
349.14291	1.0
356.43903	0.9
357.52911	0.9
395.14847	1.5
413.15936	3.6
427.17197	1.3
431.16776	2.1
445.13025	1.6
445.18643	23.4
446.18741	2.1
457.18823	2.0
471.16458	1.8
475.19687	18.7
491.18790	1.5
505.33936	6.3
560.31201	1.0
563.28424	2.2
589.27032	1.2
623.24884	18.9
623.35175	1.9
624.25165	2.6
667.23859	50.3
667.38800	39.6
668.23828	7.7
668.39728	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	667.1518
Annotation	Euphorbianin
Peak:m/z	Relative Intensity
59.01377	1.1
63.02391	1.6
65.00317	2.6
71.01379	0.5
71.54095	0.5
71.82503	0.2
72.31168	0.2
72.99269	0.3
80.96149	0.3
83.01389	1.9
85.02953	0.5
93.03447	0.7
96.96008	0.8
107.01392	6.5
108.02172	0.7
109.02961	1.3
113.02510	0.2
121.02953	5.8
124.01668	0.3
125.02428	0.5
133.01424	0.5
134.03737	0.9
135.00893	0.5
137.02403	0.3
139.04007	0.4
147.04498	0.3
148.01674	0.9
149.02492	1.4
149.03461	0.3
149.05986	0.4
150.03221	0.8
151.00365	29.1
152.00764	0.5
161.02380	0.6
163.00360	1.8
163.03915	0.4
164.01091	0.8
164.04796	0.4
165.01869	0.7
165.05540	0.9
169.01466	0.4
175.03943	0.6
178.99864	13.2
179.05536	0.3
180.04320	0.5
181.04974	0.3
183.04517	0.4
187.03889	0.5
192.00665	0.3
193.01373	0.8
193.05069	1.3
195.06616	0.8
199.04013	0.7
201.05499	0.6
208.03716	0.6
211.03969	0.8
211.05902	0.3
215.03461	0.6
216.04280	0.4
216.74490	0.3
223.06158	2.1
226.02745	0.6
227.03519	2.5
228.04175	0.5
229.05003	0.6
239.03560	0.4
243.02977	6.7
244.03362	0.3
245.04465	1.1
254.02164	1.6
255.02975	19.2
256.03421	1.0
257.04559	0.6
271.02460	40.7
272.02896	2.6
273.03952	1.7
283.02429	1.0
285.03934	0.5
299.01987	2.9
300.02728	80.3
301.03488	93.9
302.03867	4.4
314.04358	1.3
321.15497	0.4
341.29675	0.3
354.13971	0.4
389.16177	0.3
397.02069	0.3
419.13470	1.9
445.07123	0.4
463.08813	17.7
464.09097	1.2
505.09845	100.0
506.10205	8.2
579.28076	0.3
667.14984	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	667.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19709	0.3
59.01379	1.7
70.89891	0.3
70.95380	0.3
71.01373	0.6
71.54234	0.3
75.91727	0.3
85.02941	0.6
95.88673	0.4
96.95941	0.5
101.02459	0.3
103.03993	1.0
109.02930	0.6
119.03489	0.4
134.03735	0.7
136.01645	0.6
137.02428	3.1
138.03162	0.4
139.00359	0.4
145.02960	1.9
147.04515	1.9
150.03270	0.5
151.04022	3.7
151.28053	0.3
152.01215	0.3
152.04749	1.0
153.01985	0.5
158.03790	0.5
161.02367	0.5
162.03198	0.4
163.04016	3.6
164.04704	0.7
165.01895	1.8
165.05551	0.4
166.02760	0.5
166.06407	0.9
167.03432	0.4
173.02434	1.0
173.06046	0.4
174.03232	2.9
175.04001	13.9
176.04761	3.9
177.05563	1.5
179.03488	1.4
179.07239	0.4
180.04272	7.6
181.04994	1.2
184.03775	0.6
188.04787	3.3
189.05566	5.6
190.06357	18.2
191.03558	0.5
191.07137	12.2
192.04303	0.6
192.07266	0.3
193.05045	8.0
194.05832	6.0
195.06561	1.2
198.05376	0.4
203.07109	2.0
205.08702	15.9
206.05728	0.5
206.09117	0.7
207.06639	6.4
208.07393	11.8
209.07742	0.4
211.06047	0.5
222.08994	1.7
223.09703	0.8
265.09308	0.7
302.56082	0.4
343.15540	1.1
359.11188	0.7
363.18121	0.5
374.13943	2.6
386.68130	0.4
389.16068	100.0
390.16379	8.5
390.21329	0.4
419.17096	4.1
441.13834	0.5
623.20703	0.5
667.21814	2.6
667.32013	0.5
668.21967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85810	0.3
56.86316	0.3
59.01380	62.5
59.03206	0.4
60.01708	0.9
61.98830	100.0
63.03406	0.3
63.16433	0.3
63.99242	0.3
69.17532	3.3
71.01370	2.7
72.99291	0.3
73.02939	0.6
73.14462	0.3
85.02959	2.8
88.51804	0.3
89.02441	0.5
99.00847	0.6
99.04492	0.9
101.02415	1.1
113.02437	0.9
121.02950	2.4
140.42575	0.3
147.03561	0.3
147.04515	3.1
148.04863	0.6
161.04507	0.4
398.19223	0.4
499.32816	2.2
517.33759	2.5
559.34900	7.9
560.33960	0.9
606.26776	0.5
607.25488	2.6
629.25293	0.5
630.26117	0.7
635.23981	0.5
666.25079	0.5
667.26355	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.5
61.98829	100.0
84.64810	0.1
99.04530	0.1
121.02957	1.4
122.03317	0.2
147.04576	0.1
224.99773	0.1
446.82584	0.1
542.28094	0.1
666.28418	0.5
694.04388	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	666.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.2
60.01708	0.7
61.01804	0.6
61.98829	100.0
63.85980	0.1
66.67673	0.1
73.01237	0.1
85.02943	0.3
94.89123	0.2
96.20924	0.1
97.15075	0.2
99.04512	0.3
113.96540	0.1
119.62690	0.1
121.02980	0.4
230.87622	0.1
258.80310	0.2
461.66721	0.2
588.94458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13531	0.2
58.77508	0.3
59.01378	100.0
60.01706	2.4
60.91286	0.3
61.98830	3.8
98.20271	1.5
99.00900	0.9
121.02959	2.0
147.04515	3.6
148.04909	1.2
155.37625	0.3
488.25391	0.4
517.28162	2.2
549.25330	0.9
559.29504	1.1
562.25476	1.1
578.28577	0.4
588.27094	1.2
591.26520	0.7
601.60693	0.3
603.28101	1.3
606.27777	3.2
607.27704	0.6
635.25928	0.8
667.28271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10162	0.2
59.01383	4.4
60.01706	0.3
60.12144	0.2
61.98832	100.0
63.45649	0.2
71.01391	0.7
72.99268	0.2
73.02954	0.4
83.01349	0.2
83.05047	0.2
85.02957	0.6
87.00880	0.2
88.98844	0.4
89.02450	0.4
96.96028	0.2
97.06597	0.4
99.04522	1.0
100.04874	0.3
101.02436	0.4
113.02473	0.2
121.02962	0.6
121.54959	0.2
122.52745	0.2
125.09721	1.7
126.10116	0.4
127.57785	0.2
147.04497	0.7
178.57899	0.2
179.05594	0.2
187.09737	1.3
188.10139	0.3
209.11813	1.1
209.97942	0.2
210.12079	0.2
397.13608	0.5
415.14688	0.3
503.23169	0.2
514.21967	0.5
556.22992	0.5
634.31665	2.4
666.35675	0.2
667.26245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.24
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97882	0.2
53.31686	0.2
57.03451	0.2
59.01377	6.2
61.98829	100.0
69.18667	0.7
69.19086	1.3
71.01385	0.8
73.02972	0.3
73.70549	0.2
83.05045	0.4
83.80437	0.2
87.04514	0.2
88.50135	0.2
95.77384	0.2
97.29406	0.2
98.19886	0.4
98.20560	0.8
99.04519	0.8
111.04554	0.3
121.02965	0.6
133.06599	0.3
135.04527	0.6
147.04506	1.2
159.08281	0.2
163.07681	0.2
189.09273	0.3
205.98463	0.2
213.09270	0.2
215.10803	0.5
245.11807	0.5
441.18613	0.2
473.28882	0.4
474.29285	0.3
485.21652	1.2
517.24933	0.3
571.22504	1.1
603.14716	0.3
603.24493	6.9
604.24786	0.8
666.30304	0.7
667.28485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.4
61.98833	5.3
67.01882	0.3
68.66613	0.2
69.24924	1.2
69.25346	1.0
69.90472	0.2
70.72377	0.2
75.00869	0.3
77.95631	0.2
79.05523	0.8
80.91704	0.3
83.05039	0.8
90.02388	0.3
90.41653	0.2
95.05025	0.3
97.06600	0.5
98.20423	1.2
99.04522	59.7
100.04875	1.1
106.10891	0.2
111.08119	0.3
121.02966	2.9
121.06576	0.3
121.12818	0.3
125.06140	0.3
160.05309	0.4
161.09679	0.4
187.07660	0.9
190.46049	0.3
201.09341	0.3
207.10222	0.3
265.12332	0.7
283.13354	1.0
291.14102	0.4
301.14331	0.7
309.14941	2.5
327.16068	0.5
349.18030	0.3
399.97147	0.2
439.21063	0.3
441.22925	2.1
443.20749	0.5
457.22293	0.4
459.23877	5.6
460.24268	0.4
501.24762	0.5
512.11792	0.3
523.27148	0.4
539.26715	0.7
541.28058	100.0
542.28400	11.1
551.19708	0.6
553.19263	0.6
563.26544	1.0
580.26874	0.3
581.28101	0.3
583.29181	4.0
584.29559	0.5
627.20837	2.0
629.21088	1.4
665.23700	0.3
676.13531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96907	0.2
57.03454	0.4
59.01068	0.4
59.01381	20.0
61.98832	100.0
71.01393	0.7
71.53375	0.3
74.94482	0.3
81.03448	0.4
83.05042	1.0
83.96084	0.3
85.02965	1.1
85.18838	0.2
99.04513	1.3
101.06095	0.3
107.05067	0.6
109.06619	0.5
118.09698	0.3
119.05004	0.3
121.02962	5.5
125.06184	0.3
127.03940	0.3
133.06610	1.1
135.04553	1.1
141.05577	0.7
147.04547	0.6
167.07191	0.6
171.08109	0.3
173.09740	0.6
175.57779	0.3
185.09753	0.5
187.07495	0.3
187.11269	0.4
189.09248	0.8
193.08760	0.3
200.08533	0.3
213.09282	0.7
215.10823	1.1
245.11906	1.4
253.12398	0.3
271.13242	0.3
297.15134	0.3
407.18912	0.9
425.19571	0.5
436.03372	0.3
439.21518	0.4
467.20581	1.3
485.22083	1.5
499.23972	0.8
517.24420	0.5
527.23090	0.8
549.25452	0.3
559.25812	1.1
561.24097	0.3
571.21802	1.8
591.26569	0.4
603.24487	28.8
604.24835	3.6
624.30249	0.3
666.32410	1.2
667.29700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
57.16422	0.3
59.01378	100.0
60.01720	0.7
60.99308	0.4
61.98829	7.8
69.25801	1.0
69.26233	1.2
71.01396	1.1
73.02959	0.5
83.05040	0.3
85.02948	2.5
87.00909	0.5
87.04511	0.4
88.98811	2.5
89.02463	0.3
98.20630	0.5
99.00894	1.1
99.04527	1.6
101.02438	0.4
101.06085	3.4
103.03969	0.4
121.02942	0.8
125.09741	0.2
135.04578	0.4
147.04552	1.1
184.64723	0.3
238.15651	0.3
296.75269	0.3
309.12161	0.4
311.58957	0.3
341.15250	0.7
457.26141	1.4
475.23108	2.8
501.25037	2.5
561.27008	4.2
562.27667	0.5
563.32306	0.5
577.28113	2.1
587.27075	0.3
602.26984	0.4
605.26868	2.3
621.26837	0.4
623.30573	1.3
665.31555	3.3
666.32959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62108	0.8
54.01893	0.9
57.91956	1.0
58.05925	0.9
59.01379	100.0
60.01704	1.0
60.03845	0.9
61.83199	0.9
61.98829	51.3
69.03452	1.2
71.01385	2.1
73.02948	1.7
74.23540	0.9
75.00872	3.4
83.05019	2.0
85.02936	6.5
87.04521	1.0
88.98780	1.1
93.03450	2.8
99.00856	3.8
99.04517	74.9
100.04877	1.3
111.04513	0.9
115.00414	1.4
119.05032	1.4
121.02947	18.1
121.06592	1.1
127.04025	1.0
133.06590	4.6
135.04541	1.0
137.02440	2.5
145.06558	1.2
147.04526	52.5
148.04796	2.9
149.06145	1.3
161.06093	1.2
161.09717	1.8
165.05592	0.9
166.77805	0.8
198.82681	1.0
201.09175	1.3
230.09639	1.1
272.06628	0.9
300.29919	1.0
304.10431	1.3
335.16434	0.9
335.20114	1.1
389.12082	1.1
427.21597	5.0
427.26749	1.2
459.16367	1.5
503.18860	8.5
505.31671	3.7
521.25336	4.4
522.25409	0.9
539.24396	1.9
547.32703	1.9
557.25427	19.4
558.25562	3.2
579.25739	1.0
589.28461	5.3
633.26245	6.7
634.25726	1.2
665.29590	36.2
666.30139	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	665.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01742	1.1
61.98832	65.5
62.13921	0.7
69.67374	3.0
71.01385	2.0
73.02970	0.6
75.00882	2.4
81.03465	0.9
83.05020	0.8
85.02960	1.6
98.83173	0.7
99.00876	4.0
99.04527	11.0
101.02416	0.8
103.05540	1.3
119.05035	2.3
121.02985	6.2
121.06608	1.1
123.04517	0.7
133.06618	3.7
134.36226	0.7
135.04604	1.3
147.04527	45.4
148.04926	1.6
149.06079	1.0
163.03972	0.9
171.04570	1.1
171.81641	0.9
187.11279	1.0
211.11208	0.7
229.12387	1.0
235.09335	0.8
389.12576	2.2
391.19308	1.1
427.21436	2.5
437.36441	0.8
448.64850	0.8
459.16724	3.4
475.19736	3.2
485.18027	1.0
503.19196	19.6
504.19949	2.1
505.32040	1.4
517.22339	0.8
521.26141	0.9
557.25354	12.4
558.25989	1.5
563.27014	2.0
589.28430	3.1
605.31708	2.9
633.27167	2.6
665.29529	17.8
666.30658	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	665.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08500	0.3
59.01380	100.0
60.01729	0.7
60.60518	0.3
61.98832	5.4
64.21078	0.3
67.01891	0.4
67.69974	0.3
69.76751	1.6
85.03013	0.4
96.65305	0.3
99.04523	2.3
121.02962	6.4
122.06328	0.3
145.02992	0.8
147.04538	1.6
181.12648	0.3
183.10075	0.3
221.60347	0.3
278.72211	0.3
323.01138	0.3
340.23602	0.3
547.94873	0.4
563.26422	4.1
564.27148	0.6
577.91876	0.4
605.33624	0.5
623.27924	0.7
665.28320	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	665.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	61.8
60.01705	0.5
61.98825	3.5
71.01358	0.6
74.77786	0.3
75.46008	0.4
77.03992	0.4
83.05025	0.5
99.00917	1.2
99.04522	0.7
107.05045	0.9
121.02956	100.0
122.03291	2.7
124.84486	0.4
129.55258	0.4
133.06583	0.6
135.04530	1.2
147.04509	5.6
158.03656	0.4
161.64226	0.3
167.07022	0.4
189.09351	0.4
261.91983	0.4
287.44626	0.4
302.05368	0.3
471.34534	0.4
533.25470	0.7
543.22534	1.2
561.24872	1.8
587.26514	1.8
589.24542	2.1
605.27600	5.8
606.27704	1.3
621.27191	1.7
633.23370	3.5
634.23767	0.7
665.25854	9.9
666.26312	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54441	0.3
59.01078	0.8
59.01377	15.8
60.37313	0.4
61.98827	2.5
69.17888	0.4
69.83436	0.4
83.05042	1.1
85.02954	0.6
95.05032	0.6
99.04536	0.5
102.05611	1.2
116.20275	0.4
121.02954	100.0
122.03275	2.6
123.17864	0.4
141.05521	0.5
147.04520	6.2
148.04829	0.5
227.10834	0.7
297.14923	0.5
353.17133	0.4
397.03168	0.4
397.19983	0.8
411.21863	1.7
439.21414	0.6
561.25116	0.6
585.24878	1.2
587.26471	0.7
605.27539	1.6
665.24823	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	665.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68787	0.9
59.01378	10.0
61.98834	5.6
70.70528	2.3
72.70809	1.1
74.53624	1.1
79.70918	0.9
81.47080	0.9
99.04482	1.6
118.71578	0.9
121.02959	91.5
122.03321	2.3
179.79298	1.2
211.27486	1.0
256.05066	1.0
545.25470	1.2
563.26501	100.0
564.26923	13.8
582.27905	1.2
583.28333	1.1
605.27576	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58526	0.6
57.03446	1.1
59.01380	97.5
60.01729	0.9
61.98840	6.6
62.34027	0.6
70.52812	2.2
83.05032	7.3
109.46268	0.6
109.78209	0.6
113.91412	0.6
121.02957	100.0
122.03294	2.2
122.14972	0.6
145.02925	0.9
147.04439	0.8
165.38933	0.7
212.98579	0.7
465.22366	0.8
559.26788	1.9
561.24908	9.8
562.25140	2.1
587.26422	5.7
588.27045	1.6
605.28064	3.6
618.54681	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22302	0.2
58.51131	0.2
59.01381	2.5
61.86782	0.2
69.64928	1.3
71.01386	1.3
71.94768	0.3
73.02946	0.6
76.61384	0.3
76.71188	0.3
77.33820	0.3
79.95730	4.4
79.96152	0.4
85.02948	0.5
87.19599	0.3
89.02429	0.7
96.12891	0.3
96.96011	74.6
98.19912	0.6
98.95581	0.9
101.02445	0.5
113.02456	0.4
119.03512	0.4
119.17896	0.3
125.02326	0.3
146.38454	0.3
154.30713	0.3
178.64183	0.3
181.05040	0.3
289.11139	100.0
290.11478	5.0
291.10956	1.0
292.11462	0.5
293.11337	0.3
293.49121	0.3
417.15576	1.1
477.79825	0.3
547.34412	0.4
579.30444	0.4
665.26025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
57.03452	3.3
59.01382	50.2
61.98829	11.9
64.66102	1.0
67.09263	1.1
69.27739	8.7
69.28144	2.3
71.01383	11.7
71.79501	0.9
72.99302	5.5
73.02958	5.1
75.00875	2.2
79.05529	3.1
79.53737	1.1
83.01404	1.8
83.05053	6.3
83.05491	1.1
85.02955	54.7
85.03471	2.8
87.00877	4.9
87.04522	3.9
89.02466	3.3
93.03531	1.1
95.01395	1.4
95.05029	2.8
96.96012	2.7
98.20639	2.7
99.00883	1.7
99.04534	9.7
101.02454	5.7
101.11418	1.2
103.00356	2.8
107.05045	3.8
109.06562	1.2
111.04533	4.3
113.02435	4.8
115.00415	1.5
116.92836	2.7
121.02979	1.3
121.06608	1.8
123.04562	1.4
123.08111	2.4
125.02461	2.5
127.04026	1.4
133.01448	3.1
133.06697	1.2
135.04559	2.1
135.08150	1.5
137.06030	1.8
139.03966	1.2
147.04530	1.6
159.08156	4.1
167.07191	1.6
209.11902	1.4
271.13278	1.6
352.09293	2.2
353.09369	1.2
355.08014	1.6
368.08261	1.4
369.08685	1.8
371.18628	2.2
372.10983	1.3
373.20233	1.6
385.12808	2.8
386.13220	3.2
387.13449	4.0
387.18079	2.3
389.19678	1.4
397.12885	4.6
398.13080	4.8
399.13486	6.9
431.20502	1.4
455.20016	1.5
457.22452	6.2
489.34204	2.6
499.23251	2.7
503.24493	1.5
521.32544	1.5
533.17377	3.4
573.23767	3.8
579.34003	1.7
587.24713	2.2
605.25909	9.9
621.35779	15.8
665.28058	100.0
665.39032	52.0
666.28424	14.3
666.39221	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	665.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93990	0.3
59.01382	8.3
61.98830	21.7
71.01419	0.5
74.57026	0.4
83.05028	1.0
85.02972	0.4
91.05551	0.6
93.03472	0.7
99.04519	3.8
107.05046	0.7
109.02956	0.4
111.04540	0.5
121.02960	100.0
122.03295	2.5
127.04034	0.6
133.06602	1.8
135.04541	1.9
137.06035	0.4
147.04561	0.7
149.96475	0.4
157.06596	0.5
161.09711	0.6
163.07729	0.5
167.07150	0.5
171.08072	0.6
175.07797	0.4
179.96034	0.4
187.07574	0.5
189.09361	0.4
209.08450	0.3
213.09274	0.9
242.50391	0.4
297.23819	0.4
366.18967	0.4
367.14261	0.3
381.16953	0.9
399.17941	0.5
407.18536	0.8
425.19821	0.8
441.19083	1.3
467.20700	1.2
499.23618	0.5
543.22687	1.0
547.23175	1.1
579.25775	4.0
589.24481	2.1
611.46069	0.4
621.26770	1.6
633.23340	1.1
665.26056	16.4
666.26459	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	665.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01381	24.1
61.98831	9.8
69.03432	0.3
70.17415	0.2
71.01392	0.8
81.03479	0.6
83.05030	0.8
85.02969	0.7
91.05544	0.7
93.03468	0.6
95.05052	0.2
99.00873	0.6
99.04520	1.5
105.07071	0.6
107.05019	0.9
109.02949	0.3
109.06575	0.3
111.04568	0.7
112.07379	0.2
117.53584	0.2
119.05040	0.5
121.02959	100.0
122.03295	2.9
123.04475	0.3
127.04070	0.3
133.03041	0.3
133.06599	1.9
135.04533	2.8
135.08115	0.5
145.02937	0.8
147.04506	2.9
147.08185	0.3
149.06006	0.3
151.07637	0.4
159.08157	0.5
161.05986	0.3
161.09755	0.6
163.07594	0.6
167.07095	0.9
171.08147	0.4
173.09665	0.6
175.07590	0.3
185.09625	0.3
187.07684	0.5
187.11107	0.3
189.09206	0.7
190.09642	0.2
193.08684	0.5
199.07738	0.3
211.07690	0.3
211.11258	0.3
213.09222	1.1
215.10750	0.6
225.08749	0.2
225.12727	0.2
229.31419	0.2
245.11848	0.3
253.12413	0.2
282.42078	0.2
291.13809	0.3
297.14951	0.4
325.14371	0.3
341.13901	0.7
357.17111	0.4
372.39502	0.2
381.16904	0.9
397.20251	0.2
399.17703	0.5
407.18433	1.0
425.19864	1.0
426.19708	0.3
439.20938	0.4
441.19040	2.3
457.22177	0.3
467.20770	0.8
503.22183	0.4
519.23389	0.4
543.24139	0.3
547.23383	1.8
561.25024	1.1
577.28241	0.6
579.25995	4.1
580.26270	0.8
589.24481	2.5
590.24750	0.4
605.27405	1.4
606.27850	0.5
621.27057	1.7
633.24646	0.5
637.26617	0.3
665.26056	19.3
666.26532	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	665.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
61.98830	59.1
75.81248	7.5
78.95916	9.9
95.35222	7.9
95.35957	7.2
121.02943	38.3
166.05933	7.7
167.95120	8.7
223.13338	29.1
404.69189	8.3
442.38803	9.9
459.22214	8.8
563.26215	24.3
665.24847	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	665.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	29.4
61.98833	2.5
62.18532	0.3
62.66425	0.3
62.95356	0.4
64.26287	0.3
69.04799	0.3
70.43746	1.0
71.01385	0.6
73.73895	0.4
82.11271	0.3
83.05032	0.7
85.02940	0.4
93.03442	0.4
95.05015	0.4
98.00093	1.0
98.20171	0.6
99.00891	0.8
99.04459	0.4
106.66075	0.3
107.05018	0.4
121.02956	100.0
122.03333	2.3
133.06601	0.6
135.04530	1.2
147.04468	2.4
357.85590	0.4
478.27267	0.5
543.22461	1.5
561.24957	0.8
587.26892	1.1
589.24365	2.7
605.27441	2.3
621.27203	1.6
633.23419	3.9
665.25940	10.6
666.26575	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.6
59.01378	100.0
60.35359	1.7
61.98827	55.2
62.84982	1.6
69.03449	3.3
71.01394	8.7
71.53809	2.1
73.02946	2.8
79.05509	1.9
81.03443	3.3
83.05028	5.0
85.02950	76.5
86.03309	2.4
87.04495	1.7
95.05040	3.2
97.06578	2.0
99.00904	2.8
99.04510	13.3
101.02473	1.9
107.05034	8.5
108.02160	2.8
109.02969	3.6
109.06581	3.1
111.04549	4.7
119.05015	3.1
121.02970	28.3
121.06583	1.9
122.03764	7.6
123.04519	5.8
127.03983	2.0
131.05083	1.8
133.06573	2.1
135.04454	8.2
137.06055	1.7
141.05598	3.1
147.04509	20.5
149.06082	3.2
159.08061	2.5
161.09734	2.5
167.07108	3.3
167.36427	1.6
171.10323	2.7
175.07556	2.0
176.04764	1.8
186.79466	1.4
189.09067	2.1
191.10680	2.0
213.09258	1.8
227.12852	3.3
234.85139	1.7
245.13939	5.9
292.97882	1.5
357.20395	1.9
425.23410	2.1
543.22552	4.9
553.24292	14.9
557.13251	2.0
585.27173	2.9
597.23047	11.1
598.23511	2.6
603.27307	3.0
605.29126	2.2
621.34760	4.2
623.30493	10.3
629.25983	89.4
630.26019	14.2
647.26099	3.4
665.25903	12.4
666.29968	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	664.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05623	0.1
59.01379	2.2
61.98831	100.0
62.98545	0.2
63.99258	0.3
85.02949	0.2
97.06615	0.2
97.92329	0.2
99.04526	0.6
100.04916	0.2
112.35814	0.1
116.01154	0.1
121.02943	1.3
122.03318	0.2
123.04609	0.2
147.04515	1.8
148.78851	0.1
229.17764	0.2
236.68146	0.2
287.78857	0.1
306.57404	0.1
336.33585	0.2
340.25989	0.2
445.29572	0.2
463.30716	0.4
466.99292	0.2
505.31537	1.4
514.95215	0.2
547.32935	0.6
559.28308	0.4
563.26849	0.4
580.26178	0.3
582.89099	0.2
587.26691	0.3
601.29346	1.1
604.26379	0.2
605.27911	0.2
622.26782	0.8
632.29382	0.2
664.28638	0.6
665.29596	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86255	0.1
59.01377	1.1
61.98830	100.0
62.98521	0.2
71.52483	0.2
78.95924	0.2
81.38045	0.2
86.56326	0.2
99.04524	0.3
108.33916	0.2
119.78955	0.2
121.02988	0.3
142.22151	0.2
225.58241	0.2
240.42976	0.2
314.43167	0.2
322.26962	0.2
496.40903	0.1
541.27875	0.4
554.69092	0.2
579.27533	0.7
580.26788	0.2
687.21173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77466	1.1
55.01898	1.1
56.34992	1.4
57.02905	1.3
57.03452	2.2
59.01381	22.3
61.98824	1.9
69.85548	1.2
71.01389	9.9
73.02953	3.4
85.02942	8.2
88.70860	1.2
89.02455	2.7
96.96022	7.6
98.19875	3.9
101.02429	4.9
109.02937	2.3
113.02463	4.2
119.03522	3.5
121.02923	2.0
123.00807	1.9
125.02475	2.2
137.02425	7.9
151.00349	17.1
152.04733	1.5
161.04567	1.5
163.04082	1.5
166.02704	44.6
166.04085	3.0
167.03162	1.5
170.57768	1.2
177.01939	2.8
181.05063	57.2
182.05484	1.5
193.04897	1.4
207.06520	1.5
224.98672	1.3
232.49541	1.4
289.11218	9.1
342.12595	1.5
367.13150	2.6
387.06302	2.0
387.10773	11.9
402.13266	5.6
417.15530	100.0
418.16010	7.7
561.29089	4.3
579.30121	4.5
589.20697	6.0
665.24805	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	664.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
59.38162	0.1
61.42439	0.1
61.98830	100.0
62.98533	0.1
69.14671	0.9
69.15083	0.2
97.55476	0.1
98.19878	0.2
99.04517	0.2
121.02953	3.0
134.86400	0.1
188.15547	0.1
219.77814	0.1
308.19421	0.1
315.51645	0.1
380.10104	0.1
505.32117	0.3
547.32965	0.2
665.27448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.4
61.98829	100.0
71.01382	0.3
73.75746	0.1
80.45650	0.1
85.02953	0.1
87.04508	0.2
98.20258	0.8
99.04546	0.5
100.36153	0.1
101.02484	0.1
101.06081	1.0
109.93919	0.1
121.02941	0.6
147.04529	0.4
162.82419	0.1
213.92381	0.1
266.15033	0.1
270.80115	0.1
410.26920	0.1
444.14850	0.2
601.27893	0.1
604.28326	0.2
632.27496	0.2
664.31165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60766	0.2
59.01381	3.1
61.98831	100.0
62.62831	0.2
71.01387	0.3
77.02679	0.2
85.02965	0.5
87.04512	0.3
94.16631	0.2
99.00896	0.2
99.04523	1.7
107.05035	0.2
111.04467	0.2
119.05035	0.2
121.02960	6.7
132.97208	0.2
133.06673	0.2
135.02380	0.2
135.04584	0.3
140.68184	0.2
147.04536	1.8
148.04886	0.3
150.33223	0.2
193.05023	0.2
194.05756	0.2
237.51704	0.2
534.34332	0.2
594.91077	0.2
601.29840	1.4
612.50854	0.2
619.61389	0.2
632.26331	0.2
664.28961	0.6
665.25970	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.8
59.01380	24.3
61.98827	24.7
69.22016	4.8
71.01373	2.1
72.99311	0.7
73.02924	0.9
75.00868	0.8
79.05527	2.0
85.02933	1.2
87.00891	2.8
97.02941	0.9
97.06563	0.6
99.00912	1.1
99.04516	22.5
101.02432	1.5
101.06058	1.7
115.00359	2.2
117.02047	0.6
121.02961	1.0
123.04539	0.7
133.10172	0.7
147.04497	0.7
147.08145	0.9
149.06024	0.9
159.08185	0.6
161.09727	1.2
194.05730	0.7
215.14401	1.3
295.15552	0.9
299.20062	0.7
311.19733	0.5
315.91470	0.6
347.22180	4.2
373.20035	2.3
373.24219	0.7
429.26425	2.0
446.01709	0.6
450.96442	0.7
455.24347	5.2
473.25430	19.5
474.25772	1.5
475.37097	0.6
497.25571	0.8
513.24780	0.7
515.26434	2.1
517.21887	0.7
525.27802	0.6
531.25641	0.7
543.25903	1.0
553.24512	0.9
561.30750	1.0
571.25415	1.4
573.26367	0.8
585.26367	0.9
603.27814	1.4
621.19885	0.5
621.29028	13.4
622.29297	1.9
631.27386	1.2
663.30182	100.0
664.30438	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58085	0.8
56.00926	0.9
59.01377	84.4
60.01707	1.5
61.98827	19.8
68.41524	0.9
69.03442	1.5
69.08385	0.9
70.22002	2.1
71.01382	5.5
73.02944	2.3
74.70078	0.9
75.00877	2.9
83.05004	2.4
85.02946	7.4
87.00864	3.7
88.98793	1.6
89.02439	1.7
96.95954	1.6
98.20337	2.2
99.00864	2.5
99.04517	100.0
100.04857	2.5
101.02417	2.6
101.06074	4.2
109.02959	1.1
111.04473	1.7
115.00362	1.8
121.02974	2.0
121.06571	1.7
123.04506	1.1
125.06133	1.0
135.04500	1.9
147.04512	1.3
147.08099	1.2
150.41777	1.0
161.09740	1.3
192.64922	1.1
199.13388	1.4
201.11252	1.2
209.11713	1.5
224.78206	0.9
429.18924	1.7
431.20850	1.6
443.24423	8.5
455.24240	1.3
461.25604	7.9
469.18680	1.1
479.26736	1.2
489.22223	1.2
493.19620	2.4
501.24750	2.7
511.23245	1.6
525.28656	15.7
526.29016	1.7
543.30042	19.0
544.29510	2.9
545.27942	1.8
561.30688	29.3
562.31006	3.1
567.26477	1.4
571.25751	2.3
585.31036	5.9
586.29694	1.1
603.32074	17.9
604.31836	1.3
613.26239	1.9
619.31952	1.1
631.27197	3.3
645.26495	1.5
663.27380	6.8
663.36426	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.302
Annotation	Briarlide D
Peak:m/z	Relative Intensity
50.28487	0.5
55.01875	1.0
59.01381	15.2
61.98820	1.5
71.01388	0.8
73.02947	0.5
77.64033	0.6
79.05537	1.8
83.05016	0.6
87.00875	4.6
97.02885	0.5
98.20658	1.3
99.04520	17.6
101.06092	0.9
105.07091	0.5
107.08596	0.5
115.00349	2.4
123.04482	0.5
133.10254	1.0
147.08173	0.6
159.08104	1.0
161.09721	1.6
189.12833	0.7
201.12871	0.8
215.14418	1.6
229.95323	0.5
243.02937	0.5
261.46597	0.5
295.15540	0.9
347.22244	4.2
373.20029	2.1
375.69064	0.6
429.26550	3.4
437.23593	0.6
455.24420	4.6
473.25327	7.5
474.25925	1.0
515.26514	1.0
521.21753	0.6
621.19843	0.7
621.29077	15.1
622.29730	2.7
663.30188	100.0
664.30560	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	663.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.6
59.01380	65.6
60.01718	1.1
60.99305	1.2
61.52048	0.8
61.98830	19.6
68.99824	1.1
69.03443	1.0
69.50065	4.0
69.50469	1.4
71.01385	10.0
72.59842	0.8
72.99319	1.7
73.02929	4.0
74.02490	0.9
75.00877	3.4
75.42708	0.8
81.03440	2.1
83.05010	6.0
85.02955	8.6
87.00894	2.9
89.02462	2.9
94.37428	0.9
96.96016	2.6
97.06574	0.9
98.20632	1.5
99.00933	1.2
99.04520	49.4
99.18140	0.8
100.04853	1.4
101.02451	3.4
103.04014	2.5
107.05029	3.2
108.02198	1.1
109.02975	1.8
109.06576	4.6
111.04520	3.0
113.02464	3.1
115.00371	1.2
115.04070	0.9
119.03461	1.2
121.02991	2.0
121.06586	1.2
123.04545	1.6
125.06096	1.3
127.03999	1.7
128.03645	0.8
133.01453	2.0
133.06590	1.4
134.04726	1.2
135.04507	6.1
135.08228	1.4
137.06067	2.5
141.05634	1.9
147.08131	2.3
149.09744	2.5
151.07632	1.4
159.08179	1.1
163.07680	1.4
165.09210	1.2
167.07156	1.7
173.09709	5.8
175.07669	1.9
189.09196	1.0
193.08916	0.9
201.09229	1.0
205.12346	1.2
209.11789	1.1
213.12875	1.5
215.10844	1.5
217.08717	1.4
229.12392	1.2
235.13483	0.9
239.58199	0.9
243.13710	0.9
271.13492	1.1
275.07996	1.0
275.13025	0.8
302.41684	0.7
373.20264	2.1
376.21313	0.9
415.23395	2.0
443.20337	1.1
447.20340	1.0
455.24759	1.7
457.24402	8.7
471.19806	1.9
489.21216	10.5
490.21698	1.1
491.22070	1.6
497.25769	1.1
501.18546	1.7
503.22586	1.2
521.23840	1.7
527.26752	1.0
531.22888	1.1
543.25867	1.1
545.28180	3.9
563.25195	2.9
571.25641	3.7
573.25262	2.7
601.26605	7.2
603.27850	10.1
604.28564	1.5
605.26825	1.9
619.33752	1.7
621.29108	1.3
631.27826	4.9
663.30170	100.0
664.30469	14.8
674.87006	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65949	0.1
59.01381	100.0
60.01718	0.9
61.98833	0.6
72.85294	0.1
81.66850	0.1
92.30091	0.1
92.37600	0.1
98.19950	0.3
121.02968	1.8
132.17462	0.1
133.82281	0.1
147.04507	0.2
157.24782	0.1
158.11938	0.1
198.41327	0.1
305.81662	0.1
344.10532	0.1
344.44064	0.1
416.98935	0.1
561.24927	2.1
562.25726	0.3
603.25861	0.2
663.28723	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26026	0.4
59.01381	18.4
61.28196	0.4
61.98831	16.1
68.99820	0.6
70.76984	1.2
71.01386	1.2
77.03938	0.4
83.05034	0.8
84.33563	0.4
99.04527	1.2
101.06093	1.1
107.05028	0.5
111.04570	0.4
121.02960	100.0
122.03307	2.2
125.06116	0.6
127.03973	0.5
145.06602	0.8
147.04529	8.2
147.08124	0.4
147.80934	0.4
148.05016	0.6
160.05281	0.9
161.06056	1.4
199.07603	0.4
199.11334	0.9
203.42178	0.4
205.08653	1.0
211.83437	0.4
215.10799	0.7
217.12399	0.4
243.10347	0.8
265.08304	0.4
283.13412	0.4
295.15549	0.5
300.97623	0.4
353.46753	0.4
404.63120	0.4
411.21445	0.7
413.23410	1.2
429.22797	4.3
439.21750	0.6
455.20557	0.9
457.22183	1.1
477.87714	0.4
513.24957	0.7
515.22845	0.7
517.25031	0.6
557.24292	1.1
561.24939	7.5
562.25104	0.9
579.25916	9.1
580.26373	1.4
601.29797	1.9
603.26483	0.5
611.50562	0.4
621.27045	65.8
622.27289	7.7
663.28119	44.8
664.28467	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	663.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15711	0.6
59.01379	21.6
61.98832	33.9
71.01379	2.1
71.58589	0.6
71.68430	0.5
72.99313	1.1
73.02962	0.5
77.74461	0.5
80.24654	0.6
82.06784	0.6
83.05058	0.6
85.02972	2.2
87.00886	1.7
87.04538	2.4
93.03487	0.8
98.20031	2.5
98.20705	0.8
99.00861	1.3
99.04527	3.7
101.06095	1.1
105.48046	0.6
113.49134	0.5
121.02958	100.0
122.03268	2.7
123.04524	1.1
125.01408	0.6
129.49786	0.6
144.50311	0.5
145.06633	1.4
147.04518	5.2
148.23953	0.6
149.98322	0.5
157.43938	0.6
171.08211	0.8
172.80453	0.6
413.23221	3.3
515.30176	1.4
517.26013	1.8
521.27692	0.7
535.27002	19.3
536.27283	2.3
561.24774	3.4
571.21594	1.4
577.27875	2.4
579.26086	10.2
580.26385	1.2
600.29126	1.1
603.26202	0.8
621.26984	45.3
622.27319	6.5
631.27808	0.9
663.28015	41.8
664.28491	6.2
683.39435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60292	0.7
59.01377	24.1
61.92202	0.7
61.98830	100.0
71.01392	1.0
75.00877	1.7
83.05030	1.3
85.02947	5.4
87.00862	0.8
87.04522	1.1
87.80301	0.7
89.40032	0.7
89.40629	0.8
93.03505	0.8
99.04520	3.8
106.51548	0.7
108.65736	0.7
119.05057	0.9
121.02960	52.0
122.03252	0.9
123.04515	3.8
140.03717	0.8
145.06592	0.8
147.04526	10.4
214.54543	0.8
228.97748	0.9
355.74411	0.9
413.23306	4.4
457.22672	0.9
499.22720	0.9
557.25305	0.9
558.27838	3.3
561.25012	3.6
579.25952	17.5
580.26208	2.6
581.26984	1.0
599.28198	1.2
600.28943	10.6
601.28937	1.2
603.26190	1.7
621.27026	64.2
622.27081	7.1
663.28125	30.6
664.29071	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	663.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.7
57.03439	1.9
58.00589	1.4
59.01377	44.0
61.98825	3.7
62.08205	0.6
69.38915	3.1
69.39318	1.2
71.01379	31.6
72.99300	2.3
73.02945	2.7
75.00877	0.8
83.01372	2.9
85.02948	11.5
87.00876	2.3
88.98798	0.9
89.02440	87.1
90.02760	1.0
93.03445	0.9
95.01394	2.0
96.96002	2.9
99.00872	1.5
99.04536	1.4
101.02437	16.8
103.04012	1.6
104.72732	0.6
105.85036	0.6
111.00842	0.6
113.02450	10.4
119.03518	7.2
131.03519	2.3
143.03517	1.5
149.02298	0.6
161.04575	1.5
161.09671	0.8
161.13365	4.5
179.05566	1.8
185.13481	0.9
187.11276	6.1
205.12280	5.4
229.12328	1.4
233.06631	2.5
247.13361	0.7
249.11247	1.4
251.07695	65.2
252.08035	2.6
265.09167	0.7
429.17648	0.7
439.19696	26.2
440.20264	1.7
483.18701	22.0
484.19202	2.0
501.19662	0.8
559.27594	1.8
577.28247	1.3
663.24994	100.0
664.25281	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	663.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
56.62518	0.6
57.03444	5.6
58.00579	0.9
59.01379	23.0
66.53171	0.6
69.03454	1.7
70.37141	1.1
70.37494	0.6
71.01382	49.0
72.99303	1.6
73.02943	8.6
83.01404	3.2
85.02951	44.9
86.00129	0.8
87.00874	21.2
87.10868	0.5
89.02445	2.9
95.01403	2.3
96.96011	5.9
97.02930	3.1
99.00891	0.8
99.04545	0.6
101.02437	13.2
103.04020	2.4
111.00872	1.2
112.01689	0.9
113.02448	82.3
114.02757	1.6
115.00323	0.7
119.03509	0.5
125.02435	3.7
127.04028	1.0
129.02000	0.6
131.03490	10.6
143.03549	0.6
151.71716	0.6
157.01431	1.3
161.04575	0.5
173.04526	5.3
175.02470	3.7
187.06093	0.8
201.02478	0.6
203.05600	0.9
217.03514	1.8
221.06604	1.0
231.46542	0.5
256.89426	1.1
277.05771	0.9
293.08746	0.9
335.09802	13.0
337.07730	1.7
379.08734	3.0
409.09842	2.3
439.10901	1.9
441.12164	0.7
499.12888	5.9
501.14621	6.8
543.15753	3.3
573.16656	12.3
574.17200	0.9
602.99652	1.3
603.17731	18.4
604.17944	1.4
627.17444	0.9
645.18878	1.8
663.19861	100.0
664.20270	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	662.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.1
61.98829	100.0
62.15131	0.2
63.79940	0.2
69.28376	0.2
70.26929	0.8
70.91524	0.2
77.33057	0.2
85.02952	0.5
99.04513	6.9
100.04873	0.2
121.02985	0.6
123.04489	1.3
129.35463	0.2
147.04523	0.7
217.12465	0.2
395.84702	0.3
398.01654	0.3
431.24411	1.1
452.75070	0.2
457.22430	0.4
539.26978	1.1
542.28772	0.6
542.41309	0.3
557.27484	6.4
558.27808	0.4
560.30151	0.5
599.28607	18.2
600.29156	2.2
631.30487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91342	0.7
57.03462	0.8
59.01110	1.0
59.01379	14.7
61.98830	5.8
69.68236	1.7
69.68640	2.8
71.01378	3.8
73.02938	1.9
85.02955	4.3
87.00874	1.2
89.02444	1.6
89.59064	0.8
93.03459	0.8
96.96004	3.2
99.04528	4.1
101.02438	1.8
103.04001	1.0
111.04510	0.9
131.04633	0.7
149.04524	0.7
161.00941	0.8
177.26579	0.7
187.37434	0.7
192.04265	1.6
201.11330	0.8
207.06607	3.0
240.07831	2.4
252.07941	1.2
268.07272	3.6
269.04364	0.9
271.05978	2.1
272.06851	3.5
272.34430	0.9
279.06540	1.0
281.08002	0.8
284.06912	3.1
287.05655	1.8
295.06143	2.4
296.06903	10.3
297.07401	1.2
299.09412	1.1
307.06149	2.2
308.06891	11.2
309.07489	2.9
311.05878	1.5
311.09222	6.0
312.06314	2.3
322.08292	1.8
323.05356	2.0
323.08902	1.0
324.06250	3.0
327.08694	4.2
335.05719	1.3
336.06406	9.1
337.07135	8.7
338.07410	1.5
339.08661	1.4
340.05893	7.2
350.07776	3.1
351.08710	30.6
352.05783	3.4
352.09399	7.5
353.10141	3.1
355.08215	34.2
356.08374	2.3
365.10220	3.3
366.11096	8.9
367.08087	31.5
367.11871	3.1
368.08469	2.7
369.09747	1.9
370.10553	28.3
371.10974	2.4
381.09735	1.4
382.10645	7.4
385.12918	79.9
386.13229	7.2
397.12894	100.0
398.13272	9.5
457.24277	1.5
513.24725	1.5
532.17126	1.4
571.25421	2.4
573.27032	5.0
585.27576	0.8
613.26147	1.2
619.33124	1.4
620.36047	1.3
631.27417	2.0
662.36987	1.4
663.29413	2.4
663.39154	1.4
664.21729	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	662.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70447	0.5
56.78492	0.5
59.01373	6.5
61.98830	100.0
62.79842	0.4
70.38053	1.8
77.03384	0.5
79.05519	0.5
91.68519	0.5
95.05020	0.9
99.04520	17.7
104.25119	0.5
121.02945	0.8
123.04522	4.8
217.12289	1.9
306.03207	0.6
370.56195	0.5
413.23364	1.2
431.24365	5.7
457.22089	1.0
539.26440	5.1
540.26978	0.6
557.27563	23.3
558.27997	3.6
599.28619	70.2
600.28882	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	662.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23587	0.7
56.08760	0.7
59.01379	16.2
60.77848	0.8
61.98829	100.0
67.01884	0.7
69.62891	4.1
71.01366	1.0
81.03456	0.7
83.05045	1.2
85.02957	1.6
87.04515	5.1
89.55682	0.6
95.04962	0.8
98.20427	2.5
99.04517	45.6
100.04855	1.2
101.02460	1.7
111.04493	1.7
121.02947	3.7
123.04515	0.6
135.04512	0.9
135.57373	0.7
145.06548	3.5
147.04524	9.5
148.04913	1.0
161.09464	0.7
199.11304	1.5
219.90495	0.7
299.16687	0.8
365.21216	1.1
413.23288	7.4
413.27731	0.8
414.23587	0.9
431.24680	2.2
457.22635	3.1
539.26538	4.8
540.27032	1.1
555.24579	1.3
557.27545	15.6
558.28003	2.2
595.25854	1.6
599.28699	84.7
600.29077	9.8
618.28326	0.9
620.25903	1.1
627.29211	1.0
630.25488	2.1
631.26050	3.1
662.26746	3.9
663.28107	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	661.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81512	0.8
59.01379	100.0
61.98830	2.2
62.27753	0.9
71.01388	1.0
78.91888	12.4
87.76395	1.0
103.05544	1.2
117.79005	0.9
121.02981	1.3
147.04523	38.2
148.04825	1.5
171.04567	1.0
194.49059	1.1
239.89139	1.0
295.12598	0.8
336.26703	0.9
433.97751	0.9
439.21204	2.3
457.22372	1.6
489.55908	1.1
559.26221	1.5
569.25391	2.1
577.93048	1.1
587.26538	14.2
588.26599	2.3
629.27161	2.4
647.80432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
61.98833	0.1
62.52409	0.1
66.26235	0.1
69.26373	0.5
69.26799	0.6
71.01360	0.1
79.95309	0.2
79.95729	4.6
85.02937	0.2
95.95268	0.2
96.96010	77.9
97.95937	0.3
98.14742	0.1
98.95589	0.5
98.96410	0.1
122.97496	0.1
269.72305	0.2
289.11133	100.0
290.11469	5.4
291.10812	0.6
360.76114	0.1
469.10571	0.1
629.06030	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	661.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.1
58.00579	1.7
59.01380	46.0
61.98827	10.1
69.03452	2.1
71.01382	44.4
72.99302	3.3
73.02946	10.0
78.95953	1.3
79.95741	1.4
80.96513	15.0
82.96093	2.3
83.01394	9.7
85.02943	14.3
87.00880	53.3
89.02448	38.7
94.98065	4.7
95.01370	5.1
97.02948	3.2
99.00892	2.4
99.04513	1.7
100.69902	1.3
101.02442	30.7
105.68327	1.3
111.00861	1.9
113.02449	30.8
115.04049	1.9
116.20671	1.4
119.03495	10.1
125.02426	4.2
129.01962	2.0
131.03508	2.4
141.01936	3.5
143.03510	8.5
143.04477	2.0
147.04471	3.6
149.04547	1.6
152.98616	2.0
158.37241	1.1
161.04587	12.9
164.98590	2.6
167.13808	1.3
179.05629	14.6
217.98535	1.5
225.00714	4.5
229.17003	1.5
234.67833	1.2
273.22205	4.3
277.21719	100.0
278.22131	8.4
291.23306	23.3
297.71750	1.7
301.21732	3.0
319.22821	14.6
323.09814	43.9
324.10260	1.6
341.10861	85.8
342.11240	4.5
349.23724	2.2
577.26788	26.2
579.26758	7.4
587.26337	2.5
601.23828	2.2
601.32416	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	661.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55436	2.0
59.01376	28.6
61.98829	21.3
71.07010	1.7
75.00884	2.4
78.95905	3.4
81.03438	2.4
83.05015	1.7
85.02949	1.9
99.04508	2.3
107.04394	1.4
119.05084	2.3
121.02959	2.6
123.04528	4.2
145.06551	4.6
147.04521	100.0
148.04848	5.3
153.09093	1.7
168.09523	1.4
171.04684	1.8
227.10822	3.3
246.22557	1.6
247.11279	2.1
266.67862	1.6
287.10925	3.1
457.22092	3.0
543.27271	4.4
587.26477	12.0
619.29144	41.4
620.29596	6.1
629.27594	23.2
630.27832	2.9
661.30151	98.0
662.30463	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	661.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49327	0.8
53.81113	0.9
59.01380	100.0
60.93623	1.1
61.98825	1.9
71.01328	0.9
74.59727	0.9
75.00913	1.1
78.95901	1.1
85.02952	1.2
98.00275	1.0
99.04541	1.0
117.01836	1.0
121.02988	1.2
123.04501	1.4
147.04521	18.6
161.74033	1.0
169.85074	0.9
233.44200	0.9
277.21817	1.3
278.65799	1.1
304.06064	1.2
446.49930	0.9
504.90903	1.0
519.30164	1.1
587.26495	19.4
588.26831	2.1
654.61548	1.1
661.28882	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	31.8
61.98830	100.0
67.00771	7.4
67.07136	7.9
78.95915	8.7
105.01942	9.3
125.02452	7.8
149.08803	8.2
158.78140	7.3
188.12067	7.9
407.38443	8.5
661.27850	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	661.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.1
58.00581	1.3
59.01381	67.8
60.36483	0.8
60.52558	0.8
61.30700	0.7
61.31012	0.7
61.98833	6.3
69.03464	2.2
71.01390	6.8
71.05038	0.9
73.02956	8.2
75.00870	5.9
79.05517	1.6
81.03466	2.6
83.05028	6.1
85.02946	6.1
87.00894	1.1
89.02474	1.1
95.05015	3.0
96.96017	1.6
97.02967	1.6
98.19860	2.0
99.00883	1.4
99.04522	81.4
100.04876	1.5
101.02438	2.4
107.05038	4.5
107.23634	0.8
109.02942	1.2
109.06596	12.9
111.04519	5.1
113.02489	1.2
113.06081	2.1
121.02950	2.5
121.06612	2.3
123.04574	1.4
123.08169	1.0
125.02470	1.0
125.06082	1.6
127.04020	3.3
131.08743	1.1
133.06589	1.9
134.07253	0.8
135.04530	9.0
135.08156	2.4
137.06091	3.8
141.05597	5.0
147.04507	3.2
147.08147	1.2
149.06042	2.3
149.09651	1.3
151.03954	1.2
151.07668	2.3
153.05592	1.5
155.07182	0.8
157.06699	1.0
159.08121	2.6
161.04500	1.0
161.05975	1.0
163.07664	2.6
165.09203	1.7
167.07095	3.5
171.10379	1.0
171.11803	0.9
173.09734	3.1
175.07632	2.8
177.05557	1.1
177.09171	1.4
179.10770	1.6
187.07690	1.6
187.11316	1.5
189.12834	1.0
191.07135	1.7
191.10762	2.4
192.07973	0.9
193.08679	1.9
197.11801	3.2
199.11339	0.9
201.09218	1.5
201.11308	1.1
203.07112	1.0
203.10867	0.8
205.12283	1.2
207.10172	1.3
209.11852	3.3
215.10883	0.9
217.08707	1.6
219.10167	0.9
231.10236	1.6
247.09717	1.7
263.12851	1.2
275.13086	1.1
299.12772	1.0
309.21167	0.8
349.63409	0.9
353.17523	1.1
385.16486	1.6
407.18640	1.3
425.19708	1.0
431.20526	1.0
441.19153	1.1
443.20721	3.2
445.18094	1.1
457.22260	1.9
459.20300	4.2
461.21872	3.8
471.23651	1.4
485.21735	1.6
487.19684	1.8
489.21365	15.4
490.21558	1.6
491.22827	1.4
501.21320	2.4
503.22861	100.0
504.23276	11.0
513.24756	1.4
517.24335	1.0
519.22748	1.1
525.24683	1.2
529.24432	3.0
541.24023	1.6
543.26123	5.5
555.25861	1.3
559.25110	2.9
569.24182	1.5
571.25336	8.2
572.25165	1.2
575.28265	1.4
585.27008	15.4
586.27429	2.5
587.28143	1.1
601.26697	13.9
602.26617	1.8
603.28143	7.0
617.29510	2.7
629.26013	2.3
639.01508	1.0
643.27368	5.2
661.28436	27.3
662.29218	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	661.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23027	0.3
59.01379	13.4
61.98826	3.8
69.03435	0.3
69.15652	0.3
71.01392	0.9
79.05530	0.6
83.05029	0.5
85.02950	1.3
95.05045	1.2
97.06612	0.4
99.04527	1.8
102.23532	0.4
103.05531	3.0
105.07100	0.8
119.05034	2.5
121.02967	3.2
121.06609	2.0
126.78472	0.3
130.04268	0.4
131.05032	2.2
133.06587	4.2
133.10265	0.4
135.08170	1.1
145.06610	2.1
147.04518	81.3
148.04903	3.2
149.06084	0.9
151.07664	0.7
157.06583	0.8
159.08154	1.2
161.09732	2.6
171.04498	0.4
171.08101	0.4
173.09677	3.7
175.07611	0.4
185.09650	0.8
187.11307	2.9
188.08424	0.7
189.09145	0.8
201.09285	0.4
209.09634	0.4
226.10045	0.4
227.10738	1.7
241.12627	0.4
253.12512	0.5
258.27872	0.4
264.61514	0.4
303.13727	0.4
319.16974	1.0
341.17477	1.0
401.23135	1.6
445.22369	1.6
446.22693	0.4
447.23090	0.5
451.21286	0.5
469.22656	0.8
487.23294	0.9
487.69571	0.4
495.25772	0.8
513.26422	0.5
527.23627	0.4
531.27637	3.0
532.27600	0.4
573.28680	0.7
577.23755	0.5
599.26477	0.4
617.27533	16.2
618.27777	2.3
661.26483	100.0
662.26874	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	661.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
59.01380	25.2
61.98829	11.6
68.99821	0.7
71.01375	1.2
71.54050	0.6
83.04999	0.8
85.02945	3.8
87.04482	1.4
91.51083	0.5
95.05020	0.9
95.55679	0.5
98.00108	3.3
99.00887	3.7
99.04495	3.7
99.66163	0.5
103.05545	2.2
107.05034	1.1
119.05027	2.0
121.02950	3.4
121.06602	3.3
123.04490	0.7
127.00410	0.5
131.05005	0.7
133.06570	1.2
135.04637	0.6
135.08174	0.8
145.06573	1.6
147.04518	71.2
148.04857	2.4
149.06064	1.1
151.07654	0.8
156.22276	0.5
157.36008	0.5
163.07712	0.6
173.09756	0.6
184.05331	0.7
187.11299	1.1
189.09172	0.6
191.54950	0.5
227.10757	1.9
401.23416	1.3
426.28033	0.5
427.21176	0.7
445.22079	2.0
519.22430	0.8
531.27539	2.0
577.24011	0.7
599.25684	1.4
601.26172	1.2
617.27368	4.5
618.27814	1.0
629.25739	1.6
661.26489	100.0
662.26941	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	661.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.4
57.03453	5.5
58.44055	1.1
59.01381	100.0
60.24137	1.2
61.98827	6.0
63.26500	1.0
68.99562	2.5
69.03442	1.9
70.94581	1.0
71.01382	14.1
71.05018	1.6
71.52678	1.1
72.99312	6.7
73.01892	1.0
73.02959	2.8
75.00878	5.4
81.03445	2.0
83.01392	1.5
83.05022	4.0
85.02953	17.4
86.49917	1.1
87.00883	5.2
88.98824	1.8
89.02435	3.5
93.03443	4.0
95.05009	3.4
96.95995	4.0
97.02963	2.7
98.20708	1.8
99.00895	13.5
99.04523	88.2
100.04882	1.7
101.02454	13.8
103.04016	6.6
103.76049	1.1
107.05029	3.6
109.02950	5.1
109.06588	2.9
111.04514	8.7
112.98542	3.9
113.02460	3.9
115.00375	1.4
119.05020	2.8
120.99664	1.3
121.02946	17.9
121.06591	3.1
123.04516	8.0
125.02461	2.8
125.06038	1.6
127.04012	8.2
135.04504	4.8
137.06071	7.5
139.04002	3.3
139.11317	1.5
147.04543	3.5
147.08162	1.8
149.02377	1.7
149.06120	8.3
151.03983	3.9
159.04517	1.1
159.08167	1.5
159.18642	1.2
161.06126	1.8
163.04074	1.2
165.05528	4.5
167.03473	4.2
167.07132	2.1
175.03966	2.2
175.07617	1.8
177.05557	2.9
177.09164	1.4
183.08087	1.9
187.07565	1.7
189.09135	1.4
189.93414	1.4
191.07205	1.7
193.05066	11.7
193.08675	1.4
194.05748	5.0
199.07544	1.7
201.09425	1.2
201.11241	2.3
203.07133	1.4
209.11777	1.6
211.06100	5.7
219.06538	1.4
373.20200	1.7
413.22116	1.8
427.17416	9.5
439.17569	3.3
443.17139	1.5
445.18716	1.8
457.18417	9.6
473.25653	8.1
475.19711	14.7
487.19611	8.1
489.21271	12.9
497.25323	1.9
503.22375	1.5
515.26373	3.4
517.20453	9.4
529.24451	2.7
535.21655	2.8
541.24542	2.6
557.27679	2.9
559.25409	5.2
571.25793	5.8
583.25500	3.4
599.24084	1.7
601.26575	10.5
603.28442	3.2
611.24945	4.4
617.25507	20.7
618.25580	2.6
629.25323	1.6
643.26923	3.7
660.35919	1.8
661.24524	41.2
662.26141	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	661.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20695	0.8
55.47737	0.8
57.03449	1.1
59.01379	54.0
59.55332	0.8
60.66902	0.9
61.98830	49.7
68.83265	0.9
69.03448	1.2
69.64772	4.0
71.01379	9.5
72.50343	0.8
72.99309	3.0
73.02949	3.5
75.00865	4.5
79.05535	1.4
79.09652	0.8
81.03461	1.4
83.05046	4.1
85.02951	100.0
86.03291	1.4
87.00919	1.9
93.03462	2.8
95.05046	1.8
96.95990	1.4
97.02926	2.0
99.00890	12.5
99.04521	36.0
100.04875	0.8
101.02441	1.9
107.05025	3.9
109.02945	1.5
109.06594	3.8
111.04524	4.7
113.02473	1.0
116.92802	1.3
119.05055	1.6
119.31001	0.8
121.02940	4.9
121.06586	3.2
123.04530	3.0
123.08133	1.8
125.02451	2.3
127.04015	1.9
133.06593	2.7
135.04523	5.2
137.02458	1.2
137.06094	3.2
139.03989	1.0
141.05594	1.6
145.05151	1.0
147.04486	2.9
147.08121	1.1
149.06081	3.2
151.04013	2.1
151.07658	1.4
151.21167	0.8
153.05534	1.3
159.08119	2.1
161.06059	1.9
163.07632	1.8
165.05525	1.6
165.09116	0.9
166.06238	1.9
167.07104	2.6
171.08162	0.9
171.10272	1.7
172.98308	1.0
175.04050	0.9
175.07571	2.5
177.05544	1.7
185.09665	1.6
187.07588	1.0
187.11304	1.5
191.07129	1.3
191.10841	1.4
193.04984	1.8
193.08633	1.0
194.05812	2.2
195.86111	0.9
197.11766	4.6
199.07635	1.4
201.09145	1.0
201.11192	1.6
209.11929	4.3
211.06081	3.3
213.09073	1.5
215.10748	1.3
217.08693	1.5
225.05643	0.9
231.10144	1.3
249.11169	0.8
253.08838	0.8
281.07147	0.8
327.90561	0.9
339.27469	0.9
379.19186	0.9
425.15869	1.0
437.15622	1.8
441.18942	1.7
445.17303	1.0
455.16782	1.3
459.19553	1.0
473.17984	5.8
485.21631	3.5
487.19717	1.5
489.21307	11.9
499.23062	1.0
501.21182	1.7
503.22723	7.3
515.18848	1.1
523.19800	2.7
541.20813	4.4
559.21082	6.3
571.25281	6.1
572.25861	1.2
575.25104	1.8
601.26678	11.9
602.26514	1.6
603.28021	3.8
617.34155	4.1
629.22272	17.4
630.22638	1.7
643.27368	14.8
644.27814	2.4
661.28149	18.2
662.28137	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	661.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.9
59.01379	52.5
60.49199	1.6
61.98795	2.6
71.01385	8.2
71.54096	1.9
72.99304	10.9
73.02909	4.6
75.00854	3.6
76.64806	1.3
79.05479	1.8
81.03411	3.1
83.01397	1.4
83.05049	3.1
85.02946	12.3
87.00892	9.0
91.03925	1.4
93.03436	3.6
95.05005	2.5
96.95963	2.2
97.02908	2.1
99.00872	10.3
99.04520	100.0
100.04810	3.5
101.02389	3.4
103.03986	2.0
107.05022	3.8
107.24577	1.4
109.02880	5.2
109.06499	2.4
111.04460	6.8
113.02410	4.1
119.05002	1.5
121.02955	19.0
121.06548	3.6
122.03172	1.6
123.04470	6.6
123.08114	2.0
125.02395	2.5
126.91339	1.4
127.03992	7.5
135.04434	4.6
137.06020	4.9
139.03929	2.7
141.05579	2.2
147.04471	3.7
147.08078	1.8
149.06116	9.2
150.03056	1.7
151.03917	3.5
159.08060	1.9
161.06009	3.0
165.05479	4.7
167.03413	4.1
167.07066	1.9
173.09770	1.6
175.03882	2.5
176.04692	1.8
177.05438	2.0
182.14093	1.6
193.03682	1.8
193.05048	18.0
193.06628	2.9
194.05728	1.8
205.08812	1.7
211.06120	10.0
215.10771	1.7
260.70883	1.5
265.08853	2.4
266.09164	1.7
343.11566	1.7
413.15622	2.0
421.16241	2.1
427.17590	8.3
439.17310	4.4
445.18420	1.9
457.18484	12.4
475.19647	12.5
489.21429	11.3
527.22974	2.4
529.24316	2.4
539.22614	1.7
553.19983	2.3
557.23846	13.2
559.24689	3.2
571.24799	5.7
575.24683	18.0
576.24866	3.5
583.24591	2.5
601.26550	10.8
602.26514	2.2
603.27539	4.7
617.25836	19.9
618.25421	2.7
629.25647	2.9
643.26556	4.3
661.24640	65.0
662.24823	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	660.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98046	0.5
55.01844	0.5
57.03452	5.8
57.65903	0.4
58.00574	0.8
59.01378	46.5
60.01695	1.0
61.98831	13.9
64.66285	0.4
69.03452	0.9
69.17857	4.8
71.01381	16.8
71.05018	2.6
72.99300	1.1
73.02555	0.9
73.02942	12.8
75.00849	0.7
83.01388	6.1
83.05025	1.1
85.02947	25.3
86.03300	0.6
87.00865	2.2
87.04488	0.9
89.02448	5.7
95.01393	0.8
95.05054	0.6
96.95995	1.2
97.06592	1.1
98.20280	2.6
99.00869	1.2
99.04514	9.3
101.02440	11.4
101.06069	1.2
103.04008	41.1
105.01987	0.5
107.72654	0.5
109.02948	0.7
109.06629	0.8
111.04499	1.4
111.08121	0.5
113.02454	5.3
115.00363	0.7
115.07621	4.7
117.05564	1.4
119.03490	2.8
121.02943	2.1
127.11257	1.5
131.03464	1.1
133.06592	0.6
135.04498	0.6
137.09718	1.3
137.19717	0.5
139.07654	0.8
141.05530	0.8
143.03482	0.7
145.05026	1.4
147.04509	1.5
155.10773	2.2
156.10335	2.5
157.08694	4.2
158.11824	2.5
159.08177	0.8
169.12329	9.4
176.83461	0.6
179.05673	0.5
182.15552	0.7
193.12381	0.7
195.13837	0.7
200.12907	1.6
209.11777	1.4
209.15445	1.4
209.19185	0.6
211.13406	6.9
211.16905	0.5
215.10753	1.0
227.12820	0.6
231.98204	0.6
240.77138	0.5
247.08141	4.6
265.09262	20.8
266.09534	0.9
307.10327	20.6
308.10629	0.6
352.24539	0.6
394.26071	0.6
412.27090	4.0
453.26279	2.1
489.21539	1.2
499.22949	1.5
501.21457	0.7
503.22653	1.0
513.28912	0.8
539.26575	1.4
556.26239	1.4
559.25616	1.1
562.28790	1.0
571.25494	1.0
595.29767	0.6
597.26752	1.0
601.26733	2.5
617.27069	1.8
629.26105	0.9
642.35059	3.5
643.27380	2.0
660.35962	100.0
661.27661	2.8
661.37225	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	659.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71961	0.8
56.55815	0.8
57.03436	4.1
59.01367	2.8
60.50938	0.8
61.98824	4.1
68.27390	0.7
71.05006	1.9
71.15184	1.1
71.15527	0.9
83.05030	1.3
93.03471	0.9
97.06580	1.6
99.08111	0.8
106.04245	0.9
109.06606	1.0
111.08165	1.0
125.09698	1.0
134.70203	0.7
138.51106	0.7
139.11298	1.7
167.14415	0.8
177.16423	1.8
193.16046	1.3
237.18590	5.8
237.25655	0.8
245.19072	1.1
247.20651	55.7
248.20959	3.4
249.18506	2.2
249.22166	1.3
265.21695	2.9
273.18683	8.0
275.20139	6.9
291.19653	93.7
292.20123	5.2
293.21225	100.0
294.21552	6.9
309.20697	77.2
310.20996	4.8
365.23309	14.4
366.23761	1.8
383.24356	43.3
384.24863	4.8
633.52148	0.9
659.45233	62.6
660.45697	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	660.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.9
61.98829	100.0
71.01434	0.2
71.04995	0.2
83.05053	0.3
85.02954	0.3
87.04531	0.4
99.04518	2.4
99.16610	0.2
100.04903	0.2
101.02429	0.4
107.07854	0.2
107.27603	0.2
107.62897	0.2
109.02947	0.2
121.02993	0.7
147.04509	2.4
148.04948	0.2
157.24049	0.2
160.96301	0.2
171.10306	0.4
194.77187	0.2
211.13438	0.3
287.27875	0.2
302.76105	0.2
390.53558	0.2
391.05862	0.2
453.93216	0.2
515.22925	0.4
557.25128	0.2
575.26770	0.2
617.28088	0.6
628.26385	0.5
660.28308	1.4
661.26489	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	660.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
61.98829	100.0
69.49612	0.4
69.50033	0.6
75.00864	0.4
86.12493	0.2
88.23608	0.1
93.97147	0.1
98.20204	0.5
121.02955	2.8
138.54474	0.1
147.04530	0.4
160.60963	0.2
177.29047	0.2
229.43161	0.2
277.14032	0.2
661.28729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
57.03448	5.3
58.00591	0.9
59.01378	42.5
61.98835	4.1
64.95673	0.4
67.09007	0.5
67.41638	0.5
69.03429	0.6
71.01380	16.7
71.05015	4.4
72.99293	1.2
73.02943	15.2
75.00854	2.4
81.03447	0.8
83.01385	6.2
83.05021	1.5
83.64243	0.4
85.02951	22.0
87.00889	1.2
89.02447	5.7
95.01407	0.6
96.96017	0.7
97.06577	0.7
99.00881	0.5
99.04520	11.7
101.02447	10.8
101.06128	0.8
103.04009	41.6
105.84799	0.4
107.05057	0.7
109.06591	1.1
111.04514	1.3
111.08153	1.1
113.02455	5.9
115.07648	5.8
117.05552	0.7
119.03481	2.8
121.02966	1.6
125.02485	0.9
125.06026	0.5
127.04057	0.6
131.03453	0.7
135.04543	1.1
135.08199	0.7
137.06071	0.6
137.09674	1.1
138.10101	0.6
139.07643	1.3
141.05656	0.5
143.03477	1.0
145.05055	1.7
147.04565	0.5
151.11313	0.5
155.10771	1.2
156.10295	3.9
157.08633	0.7
158.11885	4.1
161.09685	0.6
163.07664	0.9
167.07166	0.7
167.14432	0.7
169.12320	6.9
175.07646	0.7
177.09134	0.5
191.10797	0.9
193.08696	0.6
193.12355	1.1
209.11821	0.7
209.15428	1.4
211.11464	0.8
211.13412	9.5
213.99420	0.5
247.08128	4.6
265.09290	19.1
307.10318	23.6
308.10666	0.6
352.24936	0.6
412.27039	4.3
420.13562	0.5
425.20398	0.6
438.30728	0.6
445.18576	0.6
459.20496	0.6
487.19882	0.8
489.21133	4.6
499.27048	1.5
501.21350	0.6
513.25012	0.6
529.24512	0.7
556.26569	0.6
559.25165	1.4
569.24365	0.5
571.25531	2.5
577.24902	0.6
586.73956	0.5
601.26428	4.2
603.28162	2.0
631.27551	0.5
642.35004	2.5
643.27478	2.1
660.36017	100.0
661.28186	6.4
661.36578	9.1
685.59723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83551	0.1
59.01379	100.0
60.01712	0.8
61.98836	0.8
75.00887	0.2
83.51260	0.1
84.00674	0.1
85.02954	0.4
95.57615	0.1
98.19955	0.4
98.20640	0.5
99.04522	0.3
113.02479	0.1
121.02973	0.5
133.17293	0.1
156.22452	0.1
170.28616	0.1
209.11877	0.1
242.07719	0.2
258.09772	0.2
475.23495	0.4
525.25415	0.4
557.27899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13123	0.6
59.01379	100.0
60.10496	0.6
61.98829	3.5
71.01389	0.7
72.99321	2.7
73.02941	10.0
76.17640	0.6
77.47234	0.6
83.05089	0.8
85.02953	39.9
88.63136	0.7
88.98822	0.9
98.19930	1.5
98.20612	2.0
99.04514	7.3
101.06081	1.8
121.02956	7.1
147.04500	4.5
161.06091	0.7
202.31699	0.6
236.04356	0.7
245.11813	1.3
386.38516	0.8
436.91525	0.7
455.20865	1.2
481.22437	1.5
525.24896	40.9
526.25555	4.2
531.24091	0.7
541.31982	1.0
557.27698	1.7
567.29736	2.1
627.26227	2.5
659.28687	6.0
676.29138	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
61.98832	0.6
63.74663	0.4
66.64826	0.4
70.03819	0.8
70.04174	1.2
71.01385	1.2
79.95720	4.4
85.02953	0.6
89.02445	1.0
91.55222	0.4
93.02442	0.4
95.82980	0.5
96.96011	74.5
101.02426	0.5
122.37701	0.5
215.38025	0.4
257.06607	0.4
261.87854	0.5
289.11148	100.0
290.11508	4.8
319.12973	0.5
362.96744	0.4
512.20056	0.5
659.33014	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.33471	0.2
60.01721	1.1
60.53381	0.3
61.98835	7.2
70.37608	0.9
74.07645	0.2
76.95322	0.3
78.95903	3.2
96.96968	0.6
98.19977	0.4
98.32219	0.3
106.85271	0.3
109.06612	0.3
140.04669	0.3
145.78542	0.3
147.04553	0.4
149.33751	0.2
152.99609	1.6
225.11351	0.7
241.64447	0.3
279.23471	1.1
377.52802	0.3
379.11667	0.6
415.22806	0.4
467.76819	0.3
641.35504	0.4
659.36121	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41111	0.7
59.01368	1.5
61.98832	10.1
62.96387	0.9
70.74918	1.9
78.95905	100.0
80.02663	0.8
83.05029	4.1
87.99577	0.7
95.05035	0.7
96.96958	9.6
98.20190	1.0
116.00449	0.7
117.48495	0.8
125.09745	1.7
127.11310	3.5
127.59688	0.8
134.98514	1.1
147.04535	1.0
152.99585	55.9
155.10788	1.5
163.11281	2.5
165.12802	1.5
165.37239	0.9
171.10245	1.2
191.10811	1.1
199.09807	1.0
201.11316	33.3
202.11725	0.9
209.11824	53.9
210.12056	2.2
227.12859	5.1
277.21722	25.9
277.24777	1.5
278.22031	2.1
337.10599	2.4
363.12119	19.6
364.12292	1.7
381.13181	21.3
399.14417	3.5
413.21030	7.1
431.22073	2.8
615.33258	4.9
615.62738	0.8
641.34583	33.6
642.35327	4.3
659.35608	59.6
660.36005	7.3
665.92395	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.0
59.01377	57.7
61.98827	6.8
68.99800	1.8
69.60809	1.4
69.61219	1.3
71.01379	10.1
72.08907	0.5
73.18524	0.5
75.00858	1.2
75.22550	0.4
75.83444	0.6
78.95913	3.1
81.03436	1.1
83.05022	13.4
85.02943	7.2
93.56513	0.4
95.05035	0.9
97.06583	1.2
99.04511	7.1
101.03963	1.3
107.05008	2.3
109.06573	1.2
109.86132	0.4
111.04537	3.5
113.10465	0.5
119.05022	4.4
121.02941	0.8
121.06578	0.8
123.04542	1.1
125.06086	5.8
127.04025	0.7
129.96768	0.5
131.05009	0.9
135.04524	15.7
135.08189	1.3
137.06078	1.1
139.07680	0.6
141.05519	0.6
145.02948	28.3
145.06586	9.5
146.03304	0.6
147.04514	27.5
147.08153	1.8
148.04922	0.9
149.06096	3.9
151.04004	1.2
152.99548	1.5
157.06573	1.2
159.08136	0.7
163.07585	2.4
165.09154	1.6
169.12325	0.7
171.04482	3.2
171.08234	0.7
173.06079	6.6
175.07605	1.9
179.03571	0.9
184.05304	1.1
185.09756	0.7
187.07697	1.1
191.07130	0.9
193.08698	3.5
197.09756	0.8
197.11722	0.6
199.07727	1.2
209.09639	0.6
209.11787	1.0
211.11124	0.5
213.09164	2.1
237.09167	0.7
239.10701	1.5
255.10193	1.4
277.12296	0.6
283.09622	0.6
329.15509	1.6
373.14169	0.7
465.20383	0.5
511.24203	0.7
541.59973	0.5
553.25909	0.7
581.26239	0.9
609.23969	0.9
627.25958	100.0
628.26343	14.4
628.34119	0.3
659.28485	79.8
660.28979	12.8
677.26392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52414	1.0
55.54044	1.0
59.01380	39.3
59.72031	1.1
61.98836	11.8
66.58755	1.0
67.38867	0.9
69.16941	4.3
69.17377	5.4
71.01374	2.2
71.05019	1.5
73.02937	3.3
74.03722	0.9
74.04131	0.9
79.05509	1.8
81.03416	1.4
84.02146	4.1
84.31752	0.9
85.02946	2.7
87.02178	0.9
95.01398	1.1
95.05005	1.2
97.06573	2.3
99.04520	29.1
99.05170	1.4
101.02435	1.9
101.03968	1.2
103.05515	2.1
105.07072	1.0
112.98541	1.1
113.06038	1.0
115.04008	5.9
116.92701	1.2
119.05026	2.7
121.02952	6.2
127.03984	1.8
133.06578	2.8
134.07330	1.3
135.04535	1.5
137.06042	2.5
145.06561	3.0
147.04520	88.0
148.04839	2.1
157.06561	3.2
158.07423	1.3
159.04478	1.4
159.08121	1.2
160.05263	4.0
161.06078	5.1
161.09601	1.4
163.07655	1.2
170.07416	1.1
171.04474	8.3
171.08147	5.0
173.06062	1.2
174.06842	1.5
175.07684	1.6
183.08148	1.1
185.06058	1.3
185.09688	3.1
187.07645	2.4
189.05516	1.3
189.09233	5.8
190.09944	2.1
197.06061	2.4
197.09779	1.9
198.06837	2.3
199.07587	4.3
200.08325	1.3
201.09166	2.3
203.07089	1.1
209.11763	3.8
211.07726	1.8
211.13368	3.1
213.09158	7.3
215.10765	3.0
218.09389	6.2
227.10789	2.4
229.08614	1.2
230.09399	3.1
231.10182	2.5
241.08670	8.4
245.11789	27.2
246.12115	1.9
259.09702	3.9
273.11362	8.4
274.12100	10.8
296.24103	1.2
395.18716	1.2
427.20850	1.0
451.20923	1.6
453.19208	1.2
455.20828	13.5
456.21252	1.5
529.20789	3.1
543.24585	1.4
555.22833	1.8
557.27429	10.0
567.23743	2.2
575.26453	3.0
581.25781	2.7
583.23187	1.4
585.25629	8.0
586.25311	1.4
595.26050	2.2
599.26733	3.5
609.24976	1.7
615.25403	1.3
617.29279	2.7
620.22791	1.1
621.27155	8.7
623.27850	2.8
627.26440	38.6
628.26715	6.1
641.27606	3.0
659.28607	100.0
660.28876	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	659.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.2
61.98824	5.1
72.99306	1.6
75.00871	100.0
78.95888	3.1
85.02914	0.9
98.20667	2.0
99.04512	4.7
121.02946	3.8
123.21126	0.8
147.04530	0.8
160.01518	0.8
169.12341	1.3
171.10242	3.5
176.94829	0.8
209.11800	6.4
507.27582	1.9
541.28064	1.8
659.31268	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	659.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	33.1
61.98829	100.0
69.68457	43.5
78.95899	36.9
80.96507	32.6
104.23104	9.6
139.99417	9.5
152.99588	24.9
176.99387	9.4
211.13132	9.6
225.00685	11.8
295.22781	9.1
298.59842	8.9
450.29086	10.4
535.50702	10.0
577.26703	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	659.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98829	9.7
71.01386	1.9
72.21442	0.5
73.02950	1.3
79.05557	0.7
79.95757	0.8
80.96513	0.7
81.03452	0.8
83.01380	0.9
83.05030	3.2
84.02199	0.7
85.02953	12.4
87.04516	51.5
95.05053	1.0
96.52654	0.6
96.96018	1.3
97.02922	0.7
98.20277	3.9
99.04523	8.1
101.02444	1.2
101.06078	2.4
103.05525	1.6
105.94221	0.5
107.05001	1.0
109.03007	0.6
109.06549	0.9
111.04506	1.2
118.73551	0.6
119.05032	0.9
121.02979	1.4
121.06599	0.8
131.05055	1.1
133.06584	3.3
134.07462	0.6
135.04497	1.6
135.08113	0.8
145.06584	1.4
147.04520	22.3
147.08170	0.9
148.04826	0.5
149.06021	0.7
151.11229	1.1
157.06546	1.0
157.10274	0.8
159.08109	0.9
161.06105	1.3
161.09709	1.2
163.07622	0.7
167.07086	0.6
169.12332	3.7
171.04463	1.8
171.08127	2.0
173.09732	1.3
185.09671	1.6
187.11234	2.4
189.05560	0.8
189.09232	1.3
197.06119	0.8
198.06891	1.1
199.07745	0.7
201.09154	1.0
209.11871	4.0
211.13390	1.7
213.09171	2.5
213.11082	0.7
215.10710	1.6
218.09402	1.2
221.45085	0.6
227.10727	0.7
230.09511	1.3
241.08672	1.0
245.11818	5.4
247.21506	0.7
255.13860	0.7
259.09637	1.4
273.11264	1.4
274.11990	2.5
309.18741	0.6
344.55856	0.7
379.19022	1.1
395.57019	0.6
397.20023	0.8
455.20676	3.3
459.23877	1.3
471.14810	1.1
485.21820	2.8
494.06039	0.7
495.23776	3.2
501.24921	1.0
503.23062	4.6
513.24896	4.4
514.25476	0.6
531.28802	0.6
537.24652	1.1
539.22626	0.7
545.24054	7.3
546.24219	0.9
555.25891	11.6
556.26514	1.4
557.23511	4.9
575.26447	0.9
581.24518	1.1
585.25159	2.0
595.25134	1.4
599.25110	6.6
600.25659	1.2
615.28168	9.8
616.27740	1.0
617.27783	0.9
627.26202	8.3
628.27576	1.2
659.27338	73.8
660.27765	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	659.0157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20120	0.3
59.01378	64.8
59.77977	0.4
60.01670	0.3
61.98829	0.9
71.22075	0.6
85.69062	0.4
90.97146	0.9
111.24828	0.4
118.96655	0.6
119.97363	0.5
132.98235	2.0
150.94785	0.7
157.03586	1.4
159.01505	1.1
163.82526	0.4
174.99240	23.4
175.99707	0.5
178.13623	0.4
192.95857	4.1
201.02541	16.8
202.02708	1.4
211.26543	0.4
217.00285	100.0
218.00624	1.9
224.05499	0.3
343.03641	1.8
359.01471	34.4
360.01645	2.4
374.99200	52.8
375.99536	1.7
417.93961	0.5
442.68994	0.5
487.27548	0.4
517.00378	10.8
518.00336	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
59.01378	19.7
60.01719	0.5
61.78278	0.3
61.91818	0.3
61.98827	5.0
67.78689	0.3
69.03465	0.5
71.01378	3.4
71.05029	0.3
72.99302	1.1
73.02954	0.7
80.02671	0.9
81.03448	1.4
83.01385	0.8
83.05026	5.5
84.02138	0.6
85.02953	3.3
87.00872	0.6
89.02446	2.1
95.01389	0.4
95.05011	1.1
96.95981	0.4
97.02927	0.5
97.06564	0.4
98.20135	2.0
99.00858	0.5
99.04514	19.4
100.04842	0.3
101.02422	2.9
101.06081	1.2
106.86669	0.3
107.05009	0.4
109.02985	0.4
109.06618	0.4
111.04528	0.4
111.08168	0.4
113.02415	1.8
113.06056	0.6
116.07260	0.3
119.03469	0.9
121.02935	1.3
123.04539	0.4
125.06072	0.8
133.06580	0.5
135.04512	0.3
135.08145	0.8
137.06102	0.5
137.09720	0.4
143.03442	0.7
145.05060	0.5
147.04486	0.4
149.55840	0.3
159.08173	0.4
161.04543	1.4
161.05911	0.3
163.07594	0.4
163.11275	3.0
165.12836	2.3
167.14404	0.6
170.58173	0.3
171.10226	2.9
173.09741	0.6
181.08719	1.8
181.12286	1.1
183.13898	6.1
184.08937	0.5
187.07896	0.3
191.10812	1.0
193.12276	1.8
199.11412	0.8
199.13394	1.0
209.11812	100.0
210.12140	4.8
211.13377	90.7
212.13690	4.7
227.12862	15.5
228.13202	0.7
235.08229	3.3
243.10275	3.4
248.63496	0.3
249.14986	1.6
253.09254	9.9
254.09782	0.6
279.13913	0.5
325.14258	0.4
403.24826	1.0
411.22156	0.5
419.18674	0.6
421.26126	0.4
425.20026	0.6
427.21216	0.4
429.22519	0.9
445.20810	2.2
447.22314	4.2
448.23016	0.6
453.18918	0.8
463.21826	0.5
489.24377	0.5
511.27066	0.3
527.26807	0.4
529.27716	1.2
535.27478	0.5
543.22699	0.4
553.24182	6.6
554.24945	0.7
571.29004	1.3
579.26038	1.1
595.29144	1.3
597.27386	1.1
599.28876	0.6
600.28632	0.4
613.29327	0.8
615.28455	0.6
621.33008	1.5
625.26038	0.7
639.33685	1.3
657.27765	4.1
658.28210	0.7
671.62445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.3
59.01374	2.4
61.16418	0.3
61.98827	2.0
72.99308	2.3
75.00873	100.0
76.01212	0.6
78.95906	0.6
80.84628	0.3
83.05044	0.3
85.02934	0.4
91.04174	0.2
92.47749	0.3
98.19780	0.3
99.04525	2.8
109.02938	0.3
121.02992	0.7
125.02448	2.2
130.15773	0.2
151.03998	0.3
152.99551	0.4
165.02020	0.3
167.03549	0.4
187.09248	0.3
209.11853	1.2
211.13403	1.3
226.07170	0.3
227.10759	0.4
238.10400	0.2
277.21713	0.3
289.07141	0.3
305.06738	0.6
437.19836	0.3
440.26999	0.2
537.25134	0.6
563.26758	0.3
657.32819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2916
Annotation	Meliatoxin B1
Peak:m/z	Relative Intensity
56.13864	0.5
56.66040	0.4
59.01379	100.0
60.01702	0.7
61.98831	3.0
64.87357	0.4
71.01379	1.3
72.77094	0.4
77.10400	0.4
81.03467	0.6
83.05009	2.9
85.02917	0.7
87.04514	0.7
95.05048	0.5
97.02954	0.4
98.19935	1.5
98.20660	1.2
99.04520	42.7
100.04871	1.3
101.02444	0.5
101.06089	2.4
107.05019	0.6
109.06609	1.6
111.04529	1.2
113.06139	0.4
116.68846	0.4
121.02950	0.5
133.06653	0.5
135.08160	0.8
139.07664	0.4
141.05588	1.2
161.09650	0.6
173.09676	0.8
183.13853	0.8
209.11807	10.4
211.13391	13.3
212.13782	0.9
213.09148	0.6
215.10742	0.8
217.12373	0.6
227.12872	2.1
229.12332	0.9
253.09177	1.3
255.13860	0.7
323.16641	0.5
349.18054	0.9
367.18893	1.2
375.58887	0.4
393.20688	2.7
411.21970	1.0
427.21283	0.8
447.22775	1.1
453.22745	1.4
493.25729	1.3
511.24710	0.4
527.26440	7.6
528.27045	1.1
529.24713	1.3
553.27997	5.0
554.28198	0.8
569.27350	0.6
571.28522	4.6
595.28326	1.0
597.27386	0.9
613.29596	2.3
615.27399	0.9
657.29095	38.7
658.29510	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	657.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15699	0.8
59.01380	39.5
59.42288	0.8
60.01707	1.0
61.98825	10.8
71.01384	4.8
72.99279	0.9
74.02883	0.9
78.95895	2.4
82.29033	0.9
83.01398	1.2
83.05022	3.2
85.02946	11.4
89.02438	1.7
95.05031	1.6
95.33478	1.0
96.90017	0.8
96.95995	2.5
97.02911	1.5
98.20121	4.9
99.00870	2.3
99.04518	100.0
100.04875	2.3
101.02422	1.8
101.06081	1.7
109.06563	1.5
111.04445	1.0
113.02471	1.5
117.07095	1.2
121.02962	5.7
122.03242	1.0
134.06032	1.2
135.08154	1.5
139.03990	1.1
149.05885	0.9
151.07599	0.9
161.04506	1.0
161.05991	2.6
176.04861	1.3
187.11203	0.9
189.12766	1.1
201.09190	2.9
209.11827	17.7
210.12091	1.5
211.13403	14.6
212.13510	1.0
215.10725	2.2
227.12816	3.1
253.09381	2.1
295.15402	2.3
339.09991	2.2
385.23666	3.8
401.22980	1.8
411.21451	1.5
429.22650	4.6
455.20618	1.1
473.21872	1.3
477.28241	1.1
479.35962	1.1
490.34769	1.6
511.26910	3.7
513.24963	3.0
529.27631	3.6
537.24963	11.1
539.22650	2.1
555.25885	15.8
556.26459	1.6
557.24603	1.4
571.28882	3.2
573.26703	3.4
575.25348	1.8
579.26013	7.3
593.26758	1.3
597.27032	16.4
598.27234	2.1
613.29987	1.3
615.17975	1.9
615.28027	35.1
616.28094	4.3
625.21289	3.1
639.27991	33.3
640.28522	6.2
657.29083	65.5
658.29401	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	657.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65198	0.8
59.01380	70.3
60.01707	1.1
60.87232	0.7
61.98832	7.6
71.01392	2.4
75.17621	1.0
79.05540	1.3
80.10816	0.8
81.03455	1.0
83.01421	0.8
83.05030	5.2
85.02952	15.4
90.30006	0.7
95.05012	1.3
96.60532	0.9
96.96039	1.5
97.02979	0.8
98.19879	1.9
99.04518	100.0
100.04836	1.6
101.02460	2.0
101.06107	1.9
107.05012	1.2
109.06623	1.9
111.04547	1.0
113.02450	1.3
113.95706	0.8
121.02973	3.7
125.06021	1.0
133.06581	2.2
135.04500	0.9
135.08173	1.7
136.05319	1.4
137.06055	3.2
147.08186	1.8
153.05571	1.1
159.08197	1.0
163.11282	1.5
171.10291	0.8
173.09692	3.0
183.13960	1.6
187.11159	1.2
191.10875	1.0
209.11818	22.8
210.12093	1.6
211.11485	1.6
211.13393	23.4
211.15419	1.1
212.13721	1.6
213.86938	0.8
215.10889	1.3
217.12296	1.6
227.12857	2.4
249.14787	1.3
253.09216	2.8
253.12253	1.5
266.61221	0.8
279.13910	1.5
297.14853	2.4
345.18640	1.1
347.50595	0.8
357.20789	1.1
363.19644	1.9
365.07416	0.8
383.21933	1.0
387.21661	0.9
393.20587	1.6
411.21710	5.5
429.22809	9.1
435.21637	1.5
447.23788	7.8
453.22437	1.7
463.36801	0.9
467.28036	2.4
471.24152	1.3
475.24854	1.2
483.27551	1.9
485.28937	1.5
489.24994	2.1
493.25922	6.3
495.23932	4.7
511.26962	16.6
512.27429	1.3
513.24884	3.4
515.22394	1.6
529.28027	32.0
530.28552	4.6
535.27051	2.2
537.24927	1.0
539.22638	1.6
553.27612	3.3
555.25830	5.9
556.26447	1.3
557.23895	3.1
571.29437	5.4
573.26849	7.6
575.25116	3.1
577.27545	1.7
579.25806	2.8
595.29010	8.7
596.29236	1.3
597.27057	8.4
598.26733	1.0
613.29773	2.7
614.30481	0.9
615.28009	29.9
616.28363	3.4
621.28778	1.0
639.27777	6.2
657.29047	27.3
658.29779	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	657.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93647	1.2
52.96259	1.4
54.00665	1.2
56.12148	1.4
57.03453	1.7
59.01382	25.2
61.98830	20.7
69.19253	7.8
69.19667	4.1
72.99284	1.7
83.05028	28.1
85.02928	2.4
88.05609	1.2
95.05037	2.5
96.95971	1.3
99.04519	100.0
107.01550	1.2
109.06551	1.5
121.02920	1.2
121.06532	2.5
125.06071	1.5
127.03958	1.4
141.05545	1.8
173.09796	1.5
207.10223	2.0
208.10629	1.4
209.11852	10.6
211.13396	10.5
212.13719	1.5
217.08562	1.4
277.21771	2.0
280.84775	1.3
343.15369	4.5
393.17026	2.1
411.18207	15.0
425.19519	7.3
437.19403	1.8
453.19415	6.8
475.99689	1.6
479.21100	1.5
519.23688	1.8
553.24652	9.3
554.25201	2.0
579.25867	3.8
597.27130	2.7
623.93628	1.4
639.33588	1.8
657.34363	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	657.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.6
61.98830	1.6
71.01370	0.4
71.52969	0.2
72.99303	1.9
73.02943	1.1
75.00870	100.0
76.01204	0.8
83.05036	0.3
85.02917	0.5
88.98803	0.2
89.02444	0.3
99.04515	1.5
104.87600	0.3
112.98566	0.4
121.02972	1.4
183.13921	0.3
207.02350	0.2
209.11838	6.4
210.12149	1.6
211.13452	6.7
212.13710	0.4
227.12801	0.6
253.09433	0.6
401.81055	0.3
555.26459	0.4
565.33606	0.6
585.47223	0.3
597.26233	0.4
639.33124	0.3
657.30365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82491	1.0
55.01888	3.2
57.03444	4.6
58.00591	3.5
59.01378	80.5
66.35940	1.2
71.01380	68.6
71.23416	1.0
71.24117	2.7
72.01704	1.3
72.99308	4.6
73.02949	11.3
75.00848	1.2
83.01402	5.8
83.05021	3.3
85.02946	24.5
87.00900	3.8
89.02445	54.8
95.01400	4.4
96.01729	1.1
96.96021	1.8
97.06583	18.1
99.00878	5.0
99.04541	2.5
99.08185	1.2
101.02440	47.8
104.56785	1.1
108.02171	8.7
109.02954	3.7
111.04502	14.5
111.08169	6.9
113.02445	32.5
119.03504	20.8
120.99588	1.6
125.02505	2.2
129.01944	1.4
131.03514	3.8
141.05579	3.6
143.03470	5.8
149.04524	1.9
152.01129	9.0
153.01968	3.0
155.07147	7.3
159.02983	4.4
161.04547	43.2
162.04935	1.7
173.08208	7.9
179.05598	20.1
199.12543	1.1
265.09250	4.1
279.10861	1.9
291.10928	2.8
303.10849	100.0
304.11200	4.8
315.07187	19.0
321.11905	66.4
322.12360	2.9
335.09955	2.9
335.13446	60.3
336.13742	2.4
487.97430	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99036	1.3
59.01382	100.0
61.45305	1.2
61.98838	7.1
71.01377	2.5
71.52624	1.6
80.63065	1.2
82.29726	1.0
83.05021	3.9
83.42432	1.2
85.02939	2.6
87.04522	5.2
88.98814	5.1
89.02422	1.5
91.27863	1.2
99.04523	44.7
109.06544	2.8
111.04536	2.0
116.92819	1.4
121.02964	43.3
122.03278	3.1
123.04536	1.5
125.06148	1.3
135.04546	2.4
147.04533	1.6
149.06075	1.2
163.31790	1.1
183.13919	2.0
209.11806	7.9
211.13368	10.3
227.12808	2.1
253.09254	1.3
295.99451	1.4
316.83188	1.2
367.19150	1.6
393.20654	2.1
453.22482	1.3
491.19031	2.6
527.26465	6.2
543.22858	1.7
553.28033	3.6
603.25842	6.2
625.26385	11.9
657.28864	36.5
658.29462	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	657.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06111	0.7
59.01381	60.2
60.01699	0.8
61.98829	24.5
71.01382	2.0
71.05016	0.8
71.76844	0.7
78.95870	0.8
83.05004	3.9
85.02952	100.0
86.03262	1.5
89.02432	0.9
94.68996	0.7
96.96012	1.3
99.04519	24.9
100.04869	0.8
101.02417	1.3
101.06095	1.4
109.03002	0.9
109.06618	1.2
111.04531	1.4
113.02400	1.0
121.02926	1.4
121.06600	1.0
130.43130	0.8
132.27957	0.9
133.06580	2.5
135.04497	1.8
135.08128	1.4
137.06108	1.0
159.08075	1.0
160.41814	0.8
161.04529	0.9
163.11269	1.5
167.17696	0.8
169.92169	0.8
173.09679	0.9
183.13881	1.7
185.09769	0.9
187.11263	1.8
201.46890	0.8
209.09924	1.1
209.11841	18.2
211.11581	0.8
211.13391	20.7
212.62035	0.7
213.09361	1.0
215.10419	0.9
225.11195	1.1
227.12819	2.5
235.08112	1.1
253.09151	2.0
255.13873	2.6
429.22681	2.0
489.28409	1.4
490.29111	4.2
495.23679	1.2
511.26932	5.3
512.27148	1.1
527.25476	1.1
529.27838	4.7
533.27032	2.1
537.25165	1.3
553.27344	1.0
555.25439	3.2
555.78174	0.8
569.26782	0.9
570.27649	1.7
571.28320	6.9
579.25696	2.5
595.28796	1.9
597.26855	6.4
598.27051	0.8
613.26624	17.1
614.26788	2.9
615.27850	6.5
639.27063	1.6
657.25317	68.7
658.25409	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
57.03444	14.4
59.01378	8.6
68.99796	1.1
70.48752	0.7
71.01376	4.4
71.53236	0.7
72.99313	1.6
75.00891	1.4
83.01387	3.0
83.82927	0.6
84.02153	3.2
85.02949	100.0
86.03277	1.7
87.00886	1.1
95.69786	0.7
96.96040	0.9
101.02470	1.0
103.00346	1.7
111.00879	6.9
119.03490	0.8
119.05022	0.8
129.01945	10.8
134.03729	2.7
135.04523	1.2
142.91565	0.7
147.02995	12.4
173.00925	2.4
191.01961	56.7
192.02251	0.9
193.05086	2.8
205.03506	5.9
209.03003	13.4
211.96605	0.7
223.04567	23.9
224.04785	0.8
271.11804	1.2
329.59756	0.7
357.84317	0.7
367.06888	1.1
385.07709	29.4
386.08078	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	657.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52805	0.3
59.01383	0.6
70.36299	0.9
79.95724	4.9
79.96140	0.4
88.98795	0.3
91.14883	0.2
96.96010	80.1
106.35152	0.3
113.47414	0.3
149.11604	0.3
179.95317	0.2
181.63860	0.2
187.05632	0.3
212.05951	0.3
289.11148	100.0
290.11465	6.1
300.02460	0.4
301.03461	0.3
388.52774	0.3
463.08817	0.3
495.17059	0.4
657.33484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.5
57.03448	1.2
59.01380	63.9
61.98829	100.0
69.26311	3.9
71.01384	9.6
73.02946	2.5
83.01409	1.5
85.02955	6.4
87.00890	0.6
89.02460	1.9
95.01378	1.5
99.00867	0.8
101.02439	5.6
104.69811	0.4
113.02454	8.4
119.03515	0.4
125.02457	0.6
143.03520	1.2
159.02985	0.5
161.04550	2.5
209.11884	0.5
232.83841	0.4
299.25931	1.8
328.55963	0.5
345.30075	4.7
427.37271	0.5
489.34314	61.2
490.34720	6.5
507.35367	19.6
508.35565	2.3
549.36389	13.7
550.37048	1.4
620.77386	0.5
651.90088	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80366	0.4
55.95061	0.4
57.28275	0.3
59.01366	1.1
62.68072	0.4
66.30658	0.4
70.63637	0.9
70.63995	0.5
71.01382	1.6
71.05204	0.4
71.74585	0.4
73.02953	0.6
74.54057	0.3
75.82479	0.4
85.02961	1.9
93.31593	0.3
93.38952	0.4
95.01389	1.3
101.02450	1.0
101.62264	0.4
108.02170	43.3
109.02242	0.8
109.02962	16.0
112.87785	0.4
113.02428	0.9
121.02948	0.8
123.00844	0.4
123.04481	0.7
129.84296	0.3
133.02950	0.4
135.04514	0.5
151.03963	1.4
152.01143	42.8
153.01930	16.9
154.02190	0.6
163.03976	0.9
165.01901	1.6
193.73402	0.4
265.09274	1.6
296.84531	0.5
315.07205	100.0
316.07495	4.0
431.12952	0.4
479.76440	0.4
585.82684	0.5
660.65399	0.4
680.21094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00360	0.3
59.01385	1.6
63.92460	0.3
70.46761	0.3
71.01385	2.3
71.20733	0.3
71.21058	0.3
73.02935	0.6
81.03445	0.4
82.33610	0.3
83.01395	0.3
85.02946	2.5
89.02468	0.7
93.03468	0.4
94.37022	0.3
95.01392	0.7
101.02436	1.2
108.02170	44.4
109.02964	15.5
113.02436	1.3
121.02962	0.6
123.00861	0.4
123.04501	0.7
135.04544	0.4
151.03998	1.2
152.01144	41.5
153.01942	18.3
154.02295	0.5
161.04553	0.5
163.03972	1.2
165.01897	1.3
173.08138	0.3
195.03038	0.3
200.71173	0.3
271.38168	0.3
303.10861	0.6
315.07202	100.0
316.07535	5.2
321.11948	0.9
332.09372	0.3
335.13498	0.9
381.26520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34450	0.7
59.01380	100.0
61.98830	20.9
71.01390	0.7
71.52314	1.3
71.52699	0.9
72.32276	0.7
74.41742	0.7
76.48341	0.8
78.95899	1.1
78.98088	0.8
92.69333	0.7
96.99320	1.3
97.02956	0.8
97.06625	0.8
100.97651	0.8
141.01709	53.7
142.05113	1.2
207.10359	1.3
209.11890	1.8
211.13470	2.2
225.11340	1.1
275.06152	1.0
277.21832	1.8
293.21381	0.9
295.19202	0.8
359.22156	0.9
391.19708	0.7
521.25708	1.5
535.27502	1.3
548.63324	0.7
553.28387	1.6
595.29272	1.0
628.29108	0.8
655.33618	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	656.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.6
61.98832	26.3
64.55005	0.5
70.67699	1.1
74.81597	0.5
75.28451	0.5
83.01381	0.6
84.38123	0.5
93.03525	0.5
107.01400	1.0
121.91776	0.4
124.73798	0.5
151.00337	2.4
163.00351	1.2
178.99773	0.8
185.06081	0.8
187.03922	0.8
211.03996	1.4
218.21545	0.6
227.03484	24.9
228.03865	1.8
229.05074	3.4
239.03546	0.9
255.02979	46.7
256.03564	5.1
257.04602	2.6
273.07565	0.7
283.02551	0.6
284.03253	72.3
285.03998	28.3
286.04324	1.9
327.05054	1.1
381.81595	0.6
486.81723	0.5
593.15088	100.0
594.15491	11.9
623.87482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.6
61.98828	19.4
63.02393	0.5
65.00316	0.4
69.37672	2.8
73.13272	0.3
85.02953	0.4
93.03479	0.5
107.01401	1.1
107.42731	0.4
109.02954	0.5
114.25971	0.4
125.02429	0.4
135.00867	1.5
143.05006	0.6
151.00328	2.0
159.04454	0.8
163.00377	1.7
164.01132	0.4
165.01950	0.4
169.06627	0.7
171.04520	0.6
185.06065	1.1
187.04019	1.6
189.05562	0.7
196.05101	0.4
197.06131	0.7
199.03912	0.8
211.04063	0.8
213.05516	1.0
227.03494	19.8
228.03818	1.4
229.05038	7.3
230.05438	0.5
239.03517	1.4
240.04259	0.7
241.05000	0.9
255.02980	32.0
256.03583	4.2
257.04510	4.9
267.03229	0.6
284.03262	47.3
285.04016	61.5
286.04327	3.5
292.86456	0.3
327.05038	0.7
480.70511	0.4
502.64532	0.3
593.15070	100.0
594.15411	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	655.3119
Annotation	Chisonimbolinin A
Peak:m/z	Relative Intensity
56.97438	0.1
59.01379	100.0
60.01705	0.6
61.98834	1.6
69.16066	1.1
71.01407	0.2
77.90958	0.1
78.95895	0.1
83.05025	0.2
87.00888	0.4
87.04507	0.6
97.02894	0.1
97.06587	0.2
98.20642	0.3
99.04522	4.8
117.60604	0.1
121.02939	1.2
121.03624	0.1
124.84440	0.1
125.06086	0.1
134.56409	0.1
145.06583	0.2
147.08217	0.1
162.78506	0.1
193.08723	0.2
199.11357	0.5
207.10315	0.4
209.09782	0.1
209.11707	0.2
211.07629	0.1
211.13449	0.5
212.08487	0.5
225.09203	0.3
225.11417	0.3
227.10732	1.8
228.11220	0.1
255.74063	0.1
261.89554	0.1
287.12814	1.2
293.14029	0.4
297.14911	0.6
439.21085	0.7
493.26331	0.5
497.25385	0.3
521.25446	3.5
522.26196	0.4
537.28595	0.2
539.26440	1.4
540.27386	0.3
541.27222	0.2
553.28040	2.6
553.36591	0.2
554.28430	0.2
581.27509	4.5
582.27692	0.6
599.28937	0.5
611.32733	0.2
613.30096	2.9
613.39514	0.2
614.30212	0.5
637.32318	0.2
655.31995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88689	0.4
59.01378	100.0
60.01725	0.8
61.98835	4.1
68.99588	0.8
86.01205	0.5
90.72977	0.4
90.98920	0.4
97.06603	0.7
98.19864	1.0
99.04520	3.9
112.98564	0.6
121.03006	0.4
185.11957	0.5
207.10268	0.7
209.11864	1.1
211.13356	0.8
212.08549	0.5
225.11343	0.8
227.10786	3.1
227.12837	0.7
229.91025	0.4
293.13876	0.5
293.21408	0.5
349.46790	0.4
355.12143	0.6
393.81674	0.4
432.71823	0.4
493.26019	0.8
521.25464	7.9
522.26178	0.5
539.26410	3.5
540.26782	0.5
553.28082	9.9
554.28558	1.1
563.26447	4.2
595.28870	0.6
623.24658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24099	0.5
53.69951	0.7
59.01381	33.7
61.04868	0.7
61.98830	18.6
62.70408	0.5
71.01385	1.7
73.02980	0.7
79.05527	1.0
81.03444	0.8
83.05017	2.1
85.02924	1.1
97.02956	0.8
97.06593	0.8
99.04521	45.2
100.04880	0.7
101.02431	0.7
105.07098	1.0
109.06574	1.6
115.18626	0.5
121.02953	5.8
121.06596	0.8
125.06067	0.7
132.05783	0.8
133.06573	2.3
135.08157	0.9
141.32957	0.6
145.88394	0.6
147.08119	2.0
149.09723	0.7
151.07550	0.7
159.08167	1.5
161.09718	2.3
163.11282	1.7
165.09212	0.6
171.08144	0.5
171.10278	0.6
173.09738	1.4
185.09756	1.5
187.11288	3.4
189.12730	0.9
198.06856	0.6
199.07651	2.1
203.14470	0.6
207.10255	4.8
209.11794	4.9
211.13376	7.2
212.08447	1.2
213.09158	2.9
214.09952	2.2
215.10716	2.1
225.11388	2.7
227.10670	0.7
235.08339	0.9
243.13812	0.7
251.14471	0.8
253.09309	1.6
254.13071	0.6
269.15381	1.5
295.15491	2.2
309.18457	0.8
335.20020	1.0
365.17770	0.9
383.22327	1.0
399.21518	0.9
401.23373	5.9
409.20306	1.6
427.21252	4.9
445.22214	2.2
455.24271	0.7
473.25284	3.8
483.27466	4.9
487.23050	1.2
491.24509	0.7
509.25427	13.5
510.26010	1.4
511.23312	0.8
515.26416	1.4
527.26526	22.7
528.26721	2.3
551.26489	9.0
552.27057	1.0
567.29724	0.8
569.27527	100.0
570.27899	10.8
575.97498	0.7
586.84821	0.6
593.27545	7.7
594.28021	1.2
595.25549	0.8
611.28595	16.9
612.28748	2.2
613.26581	3.3
637.26208	3.1
637.34045	1.0
655.27045	20.3
656.27582	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	655.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
57.03446	2.3
59.01370	1.5
69.03454	3.5
71.01382	2.9
72.99303	0.4
73.02933	0.4
78.74301	0.3
81.03454	0.5
83.01386	0.8
83.05026	0.8
85.02946	12.4
85.03468	0.6
87.00880	0.6
91.07478	0.3
93.03433	0.5
95.05037	1.3
97.02950	4.9
97.06595	0.4
98.20682	0.5
101.02441	1.8
105.07110	1.5
107.05009	1.1
108.05815	3.4
109.02927	0.9
109.06597	3.1
111.00893	1.7
111.04520	1.2
111.08167	0.9
113.06090	4.3
119.05026	0.5
121.02177	0.4
121.02961	3.6
121.06605	1.6
122.03745	4.2
123.00892	0.8
123.04493	0.3
123.08151	4.5
124.05291	0.4
125.06079	3.8
129.01949	6.5
133.06572	1.0
135.04561	0.5
135.08182	0.6
136.05309	2.4
137.06082	3.3
138.03244	1.4
138.06863	19.1
139.04013	0.3
139.07652	13.9
147.02933	0.7
147.08151	2.2
147.11801	0.3
149.06085	1.4
149.09727	5.2
150.10065	0.3
151.07639	33.0
152.04788	2.8
152.08440	8.1
153.05571	0.9
153.09204	35.7
154.09549	1.3
157.06599	1.1
161.06032	0.6
161.09578	0.4
163.11284	0.7
165.05534	2.2
165.12787	0.4
166.99829	0.6
167.07144	1.6
170.05803	0.3
173.00897	2.4
173.09691	3.2
175.07643	1.9
176.08368	0.9
179.03477	0.3
182.02237	1.0
189.05571	1.2
189.87784	0.3
191.10773	28.9
192.11139	1.5
197.04549	2.9
209.11780	2.3
251.05681	1.5
251.10120	0.4
253.10789	100.0
254.11116	4.6
295.04480	1.2
327.07129	0.6
327.10724	0.5
359.09940	1.0
451.12009	0.4
489.12750	0.6
494.92215	0.3
533.11511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03447	0.5
58.94758	0.6
59.01381	29.5
61.98833	6.4
62.43015	0.4
66.13731	0.4
69.03436	0.8
69.23055	3.7
71.01393	2.5
79.05548	0.7
83.05033	1.2
85.02941	1.5
95.05010	0.5
97.02956	0.8
97.06610	0.6
99.04523	55.2
100.04808	0.7
101.02423	0.8
101.06070	0.8
104.66039	0.4
105.07100	0.9
107.05022	0.6
109.06636	1.2
111.04501	1.0
112.63628	0.5
121.02959	3.2
121.06605	0.5
125.06113	0.5
132.05751	0.8
133.06573	1.7
135.08159	0.9
143.08551	0.5
145.10187	0.7
147.08163	1.6
159.08168	1.0
161.09692	1.6
163.07622	0.5
163.11279	0.9
169.10213	0.4
171.08134	0.5
171.10284	1.0
173.09659	2.0
175.11270	0.5
183.08110	0.6
185.09674	1.2
185.11676	0.5
187.11267	2.9
189.12810	1.3
198.06873	0.6
199.07510	0.8
203.14503	1.0
207.10257	1.9
209.11810	1.6
211.07625	0.6
211.11594	0.8
211.13330	3.6
212.08461	0.8
213.09222	2.7
214.09999	1.4
215.10674	0.8
225.11261	1.4
227.10789	0.9
232.72884	0.5
243.13829	0.6
247.13344	0.8
248.55846	0.6
251.14418	0.7
267.83090	0.5
269.15451	1.3
277.14471	0.5
287.16623	0.6
295.15475	1.9
303.13626	0.4
307.20200	0.5
309.18497	1.6
321.18311	0.5
323.16959	0.6
325.68851	0.5
335.20099	1.1
339.19696	1.0
347.22232	0.5
355.19168	0.6
357.20584	0.9
365.17526	1.2
373.19876	0.7
373.23950	0.6
383.22208	1.6
399.21848	0.6
401.23270	5.9
402.23309	0.6
409.20184	0.9
419.24243	0.7
427.21185	5.2
430.16800	0.5
455.24283	0.7
469.22153	0.8
473.25586	4.1
483.27591	4.7
497.24942	0.5
509.25403	17.7
510.25864	1.8
511.23254	1.0
515.26587	1.8
527.26489	22.2
528.26862	2.4
551.26501	8.8
552.26721	0.8
553.24066	1.1
557.27344	0.7
569.27533	100.0
570.27893	12.8
573.27496	1.0
593.27747	6.2
594.27539	0.7
595.25537	2.2
611.28571	21.8
612.29102	2.5
613.26477	4.4
637.26733	5.2
637.34271	1.1
655.26996	7.1
656.28168	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31468	0.9
54.57992	0.9
59.01383	36.4
61.98816	2.9
71.01368	1.3
79.05547	0.9
83.01385	1.1
83.05015	1.7
85.02958	4.2
89.56168	0.9
90.54887	0.9
95.05040	1.2
99.04520	48.8
100.04881	1.2
101.02367	1.2
105.07133	1.0
105.74824	0.8
121.02956	2.6
121.06599	0.9
129.07053	1.1
133.06598	3.5
135.08098	0.9
159.08121	3.5
161.09734	1.7
163.11203	0.8
171.10229	1.2
173.09685	3.4
187.11238	2.8
189.12856	1.9
191.10817	1.2
199.07634	3.1
207.10225	1.3
209.11783	3.9
211.13388	2.8
213.09152	2.0
215.10767	1.7
225.11234	1.6
227.10751	1.4
243.13899	1.5
269.15442	2.4
291.17447	1.0
294.33554	1.0
295.15723	1.1
309.18750	1.1
335.20065	1.7
339.19693	1.5
340.82251	1.0
357.20593	1.9
373.23770	1.3
383.22473	1.4
401.23242	8.6
409.20367	1.3
427.21167	2.8
431.75876	0.9
481.25912	1.1
483.27524	6.2
495.24084	2.0
509.25479	17.2
510.25848	1.4
511.23248	1.5
527.26508	29.8
528.26892	4.0
551.26489	9.4
569.27551	100.0
570.27881	9.0
571.67554	1.0
593.27570	24.2
594.27612	2.4
611.28619	25.8
612.29004	2.9
613.26532	12.6
614.26471	1.1
623.26514	1.1
637.32178	1.2
655.27386	18.7
656.26715	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10202	0.6
57.03431	0.7
59.01380	35.4
61.98829	4.3
71.01389	1.5
73.02951	0.8
74.34441	0.6
79.05537	1.4
83.05003	2.0
85.02973	0.9
93.06260	0.6
95.04969	0.7
95.52238	0.7
99.04517	80.9
100.04863	6.8
105.07111	0.8
107.04987	1.0
109.06553	0.7
113.02414	0.6
121.02934	2.0
133.06604	4.4
135.08147	2.1
147.04538	4.3
147.08128	1.7
159.08130	3.0
161.09703	1.4
171.61034	0.8
173.09689	3.5
175.11226	0.8
185.09764	0.8
187.11298	2.7
189.12831	2.2
198.06984	1.1
199.07573	3.0
200.08415	0.8
201.12874	1.1
207.10201	1.6
209.11816	2.0
211.07735	0.8
211.13391	3.0
213.09187	2.6
215.10745	1.0
225.11121	1.7
227.10892	1.3
251.14377	1.2
255.13754	0.8
267.13931	1.0
269.15424	1.9
295.15622	1.4
309.18622	0.9
335.20239	1.4
339.19659	1.3
357.20703	1.0
365.17221	0.8
373.23849	1.2
383.22366	2.5
401.23355	8.3
427.21179	4.0
451.21054	1.2
469.22202	1.6
480.18427	0.8
481.25641	0.8
483.27454	7.4
484.27264	0.9
489.34125	1.1
499.26862	1.2
509.17719	0.8
509.25436	18.8
510.25668	3.3
511.25888	4.4
527.26495	28.7
528.27057	5.9
529.26984	6.5
551.26556	8.1
552.26874	1.2
565.28564	1.2
567.29510	1.1
569.27527	100.0
570.27832	11.6
573.26202	2.2
593.27594	21.6
594.28210	2.3
611.28564	28.4
612.29022	2.6
613.26459	10.8
614.27136	1.1
619.25232	0.8
627.28345	0.9
637.32178	2.6
655.27222	14.0
656.27856	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36435	1.5
55.01868	2.4
57.03452	10.3
58.00571	2.5
59.01379	75.3
60.01692	1.6
63.49312	1.3
69.30802	7.4
69.31204	3.5
69.71761	1.3
71.01380	44.3
71.99886	1.3
72.99305	3.7
73.02946	35.8
80.40282	1.5
83.01392	10.6
85.02951	64.5
86.03270	1.4
87.00835	4.9
89.02440	25.3
90.00845	1.5
93.03409	1.9
95.01333	2.9
96.96027	6.9
97.02913	1.9
98.19920	2.1
99.00842	2.0
99.04485	1.8
101.01814	2.5
101.02438	35.6
103.04011	75.4
111.00862	2.7
113.02454	19.2
117.05539	2.0
119.03490	8.5
119.04961	4.9
121.02900	6.4
123.04483	3.5
125.02386	3.3
129.01891	5.0
131.03442	3.5
134.03761	6.6
136.00731	1.9
136.01651	23.3
137.02406	3.1
138.03204	1.9
143.03415	3.2
145.05072	2.4
149.02394	4.2
149.04543	2.1
149.05933	3.2
150.03227	11.1
151.02928	1.8
151.04007	31.9
161.02467	1.5
161.04437	5.3
161.05734	1.3
163.03978	2.0
164.04716	1.7
165.05554	13.6
175.03925	2.7
179.05510	3.2
180.04202	2.5
181.04974	6.0
182.02322	1.7
189.05518	2.3
191.05551	3.2
193.04948	4.9
195.06505	3.2
197.04358	2.8
202.71741	1.4
235.06146	1.7
247.08229	9.2
251.05798	1.5
260.03647	2.1
265.09290	33.9
270.05234	1.9
275.05856	1.7
284.06799	1.9
285.07535	2.9
287.09000	1.9
299.09198	3.0
307.10336	100.0
308.10522	3.7
341.10004	1.8
407.13040	5.4
407.17374	3.3
493.22763	7.1
535.14093	2.6
551.27368	6.8
569.27667	5.7
611.29224	4.1
619.21472	2.0
637.21442	12.0
655.21722	95.3
656.21472	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.2
61.98833	10.8
68.99824	0.7
69.03458	1.1
70.18813	0.5
71.01381	6.6
71.53692	0.5
71.54049	0.6
72.99320	2.7
73.02956	1.2
75.00887	0.5
79.05544	0.5
79.95728	0.7
81.03440	0.6
81.99141	0.4
83.01360	0.6
83.05024	1.8
85.02949	5.4
87.00877	1.8
89.02454	0.6
93.03457	2.4
95.05032	2.2
96.96008	1.3
97.02958	1.7
99.00880	13.8
99.04513	5.0
101.02472	2.4
107.05039	1.6
108.14737	0.5
109.02949	2.0
109.06540	0.8
111.04526	4.9
113.02489	1.5
119.05029	1.1
121.02956	100.0
121.06588	2.1
122.03259	2.4
123.04527	3.6
125.02434	1.5
125.06082	0.7
127.04000	1.6
133.06589	0.9
134.03717	0.6
135.04523	3.1
136.07713	0.8
137.02449	0.9
137.06093	1.6
139.03983	1.8
145.06607	0.7
147.04514	3.1
147.08159	0.7
148.05244	0.7
149.02420	0.5
149.06064	2.8
151.04057	2.6
153.01889	1.1
153.05646	1.0
155.38136	0.5
159.04564	0.6
161.04573	0.6
161.06096	1.8
161.09682	0.7
165.05547	2.4
167.03500	1.2
167.07112	0.7
175.04068	0.9
175.07635	0.9
176.04778	1.4
177.05554	1.7
179.07127	0.7
187.07556	0.5
187.11255	2.7
193.05028	4.0
194.04292	0.6
194.05757	3.3
195.06648	1.3
203.07181	1.4
205.08687	2.1
207.10400	0.6
209.11867	3.1
209.13504	0.5
211.06027	2.7
213.08910	0.5
229.08649	0.8
231.10309	1.0
235.13583	0.5
253.08739	0.6
313.14633	0.5
401.23410	0.7
411.14661	0.7
429.15741	0.8
437.16022	1.0
438.15271	0.6
455.17172	1.9
460.27917	0.5
473.18106	3.7
488.33002	0.8
491.19229	18.8
492.19620	1.8
508.21381	0.8
510.26270	0.5
519.18884	1.8
555.26135	1.1
559.19702	0.9
566.21478	1.1
573.27203	1.4
577.20667	1.0
579.25574	0.8
587.21454	0.7
595.22461	1.1
610.71338	0.5
611.29010	1.9
623.21307	10.3
624.21729	1.2
637.28705	0.5
655.27393	2.6
655.34021	2.9
656.30322	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	655.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34933	0.7
55.01876	2.4
57.03449	12.9
59.01377	10.5
69.54839	3.1
69.55247	1.3
71.01373	8.2
72.99302	2.1
73.02919	0.9
73.48499	0.7
75.00863	1.8
77.36639	0.7
83.01381	3.4
84.02168	2.5
85.02949	100.0
86.03288	1.4
87.00887	1.1
89.02443	4.0
101.02441	3.8
103.00323	1.6
107.05025	2.7
111.00873	3.2
113.02441	2.5
119.03525	1.8
121.02951	7.0
129.01945	12.9
138.24294	0.7
147.02995	18.1
151.04019	1.1
173.00920	3.1
179.05600	1.6
182.02267	1.0
189.05673	0.9
191.01965	36.6
197.04543	2.5
198.42882	0.9
202.57425	0.7
239.63405	0.7
251.05603	2.1
253.68810	0.8
295.04596	2.4
313.05646	39.7
313.08920	1.8
314.05908	2.2
341.10886	12.3
374.79681	0.9
407.14481	0.7
557.82904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
57.03449	11.7
58.00575	0.6
59.01382	4.7
61.98822	3.6
67.01899	0.6
68.99824	0.6
71.01381	6.2
71.53763	0.8
72.99309	2.2
73.02944	1.7
74.99114	0.7
75.00875	1.4
79.58792	0.4
82.32056	0.5
82.84566	0.5
83.01393	4.4
84.02163	1.5
85.02951	100.0
86.03284	1.1
87.00867	3.7
88.89341	0.4
88.98829	0.6
89.02451	1.7
93.03446	0.4
95.01329	0.4
96.96019	1.0
101.02450	2.2
103.03995	1.8
105.21717	0.5
111.00875	10.3
112.87103	0.5
113.02420	1.0
115.00366	1.0
119.03521	0.8
119.05041	0.8
121.02955	18.0
123.00894	6.2
123.47098	0.5
127.74610	0.4
129.01942	24.6
130.02228	0.6
131.05003	0.9
133.06598	5.0
135.04532	1.9
136.01663	0.9
138.03224	7.9
139.62035	0.5
147.02974	1.3
149.40608	0.5
150.03241	1.1
151.00400	0.5
151.03996	0.8
153.01999	0.6
153.05591	4.4
159.04482	0.9
161.06084	4.5
163.03976	0.9
165.05583	1.2
166.99867	2.6
173.00909	11.6
175.84705	0.4
179.00795	0.5
181.05061	0.8
182.02200	10.8
189.05568	8.1
191.02046	0.6
195.06520	0.5
197.04546	22.2
198.04794	0.5
223.06079	1.5
233.04515	0.8
248.60524	0.5
251.05595	7.2
252.06099	0.5
258.66116	0.6
265.06982	1.2
265.09424	1.2
295.04550	7.6
295.60693	0.6
307.10190	2.3
327.07077	4.0
359.09839	8.0
360.10074	0.5
407.19122	0.8
427.12457	1.1
485.86035	0.5
489.12350	3.6
489.18536	0.6
533.11505	2.4
637.21320	0.8
655.22363	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	655.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49812	0.5
55.01871	2.5
57.03444	12.0
57.33218	0.5
59.01381	6.5
67.01893	1.0
68.99846	0.6
71.01379	7.3
71.54256	0.9
72.99303	2.0
73.02955	1.7
74.48203	0.5
74.99091	3.8
75.00870	2.6
83.01384	4.2
84.02167	1.3
85.02950	100.0
86.03281	1.5
87.00859	2.5
88.98328	0.5
89.02451	1.0
95.01363	0.7
96.96006	1.9
99.00928	0.7
101.02447	4.1
103.04006	4.0
105.01887	0.6
111.00875	10.7
113.02457	1.5
116.37865	0.5
120.99598	0.4
121.02957	20.1
123.00862	3.5
127.64042	0.5
129.01942	32.9
130.02257	0.6
131.05005	0.9
133.02931	0.6
133.06590	4.4
135.04539	1.5
136.01659	1.1
136.99173	3.8
137.02519	0.5
138.03238	6.9
145.01436	0.7
147.02991	7.2
147.04228	0.8
150.03259	0.8
151.03934	1.2
153.02002	0.6
153.05608	3.2
159.04485	0.9
161.06067	3.6
163.03940	0.5
164.07150	0.7
165.05594	0.9
166.99844	2.9
167.03471	0.6
173.00903	13.7
175.77689	0.5
181.05080	0.8
182.02199	8.7
189.05537	7.5
195.06577	0.6
197.04533	18.2
198.04877	0.8
206.08192	1.8
207.08603	0.6
233.04527	0.7
247.08180	0.8
249.08035	1.9
251.05592	7.4
260.64114	0.5
265.07059	1.2
265.09351	1.4
267.41406	0.6
275.06094	1.5
282.39853	0.5
295.04568	8.7
307.10312	5.9
311.10641	0.5
327.07162	5.2
345.10809	2.0
359.09772	6.1
427.12677	0.7
489.12546	4.1
510.41669	0.5
533.11658	1.2
551.26813	0.7
569.28320	1.0
583.34698	0.6
637.21161	0.9
638.70868	0.5
655.22455	4.4
656.22888	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85082	0.4
61.98830	100.0
66.33058	0.4
66.46971	0.4
68.61887	0.5
70.36936	1.7
78.95900	3.0
80.07633	0.4
87.71574	0.5
98.19994	0.6
127.13586	0.4
150.23111	0.5
152.99590	1.9
223.20644	4.2
224.21167	0.7
248.89142	0.5
249.22302	3.0
250.22455	0.9
255.23358	2.0
256.23636	1.2
267.19669	2.7
268.20029	0.6
269.87900	0.5
285.20749	4.4
286.21008	0.8
293.21344	1.9
294.21600	0.6
311.22305	4.0
312.22638	1.3
318.80420	0.4
359.24356	0.7
366.98972	0.5
385.26010	1.2
489.69897	0.5
582.19531	0.5
653.46033	4.8
654.46832	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	654.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87208	0.1
59.01381	0.5
61.98829	100.0
69.39406	0.2
69.39797	0.8
78.95901	0.1
83.89747	0.1
92.76045	0.1
121.02959	0.5
122.03310	0.2
123.03500	0.1
266.74670	0.1
279.07059	0.1
315.24484	0.1
534.28613	0.2
552.29822	0.1
589.22974	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	654.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
59.01379	100.0
60.01719	0.9
61.98827	87.4
68.81563	0.7
71.01381	13.3
72.99312	0.9
73.02934	4.5
81.03462	0.8
83.01379	2.1
83.59879	0.6
85.02953	9.4
89.02457	3.6
95.01348	1.9
98.20068	3.6
98.20763	1.4
99.00832	2.7
99.04484	2.4
101.02443	8.7
113.01726	0.8
113.02453	11.5
117.33666	0.6
121.02955	4.5
124.01640	0.8
125.02364	2.0
134.65128	0.7
143.03503	1.3
143.10785	3.4
143.20450	0.6
147.04416	0.8
153.03323	0.6
161.04535	7.1
168.00586	0.9
177.16377	0.6
229.44894	0.8
283.26041	0.8
287.94293	0.7
343.27725	3.4
343.31451	0.9
412.71460	0.8
461.64108	0.9
487.31381	51.8
487.39127	4.0
488.32950	5.1
505.32352	19.3
505.40292	1.4
506.32751	2.7
506.39679	0.8
547.33118	17.7
548.33429	2.1
621.14063	0.8
654.25739	2.6
655.26715	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27983	0.2
53.89819	0.2
59.01381	3.7
60.85241	0.2
61.20202	0.2
61.98830	100.0
71.01382	0.5
71.41499	0.5
85.02948	0.4
87.04519	1.3
89.02411	0.2
99.04556	0.6
101.02421	0.2
121.02937	0.4
123.04595	0.2
152.99591	0.3
161.04567	0.3
185.09727	0.2
209.11829	1.8
210.12286	0.2
227.12984	0.3
309.20685	0.4
431.82224	0.3
475.21075	0.3
529.28101	1.7
593.40625	0.8
653.28772	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46256	0.3
55.01866	1.3
57.03432	1.5
58.00581	1.4
59.01379	38.8
61.98832	2.4
62.92784	0.3
68.99817	0.5
69.03452	2.6
71.01379	33.4
71.53288	0.4
72.99296	2.7
73.02943	6.5
75.00872	0.7
78.95926	0.4
81.03448	1.5
83.01375	4.1
85.02946	8.0
86.00127	0.5
87.00871	8.8
87.04493	0.3
89.02443	29.9
90.02818	0.3
91.04000	0.9
95.01372	2.1
97.02943	6.3
99.00895	1.6
99.04494	0.5
101.02439	28.1
103.04015	0.5
109.02903	0.6
111.00890	0.6
111.04516	1.2
112.01653	0.4
113.02443	14.5
115.03989	1.2
119.03496	10.1
121.02953	1.2
123.00847	0.4
125.02448	12.3
127.03980	0.7
131.03479	1.6
133.05034	1.0
137.02417	0.4
139.03990	1.1
141.01929	0.8
143.03496	5.6
149.04524	1.0
153.52104	0.3
161.04536	6.0
167.03424	1.0
179.05612	6.0
185.04550	0.8
195.00192	0.4
199.06152	0.9
203.05690	0.5
217.07124	0.9
219.05109	0.5
221.06665	2.5
235.08200	13.2
236.08493	0.4
245.06651	0.8
253.09210	2.4
255.23271	100.0
256.23596	6.7
263.07678	1.4
269.24838	0.7
277.09317	0.7
286.63467	0.4
287.07724	3.9
305.08749	4.5
308.64532	0.4
323.09772	2.2
356.10446	0.4
361.11630	0.5
379.12454	1.2
397.13474	93.4
398.13782	6.0
415.14554	33.3
416.14816	2.5
588.64691	0.4
621.24261	0.7
653.25848	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	653.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36943	0.5
56.82493	0.6
61.98817	1.6
62.96409	0.7
71.52291	1.0
76.22206	0.6
78.95905	100.0
96.96966	2.1
109.06608	0.6
149.00107	4.5
152.99571	8.5
163.11070	0.7
171.10283	3.6
199.09711	1.2
205.15929	1.3
225.11263	1.4
238.03714	0.5
255.23274	13.8
256.23532	0.7
285.12671	3.2
321.66302	0.6
355.16699	2.2
361.10574	0.9
374.48441	0.7
379.11697	0.9
385.17831	1.4
391.22479	3.0
409.23465	2.4
447.13297	5.1
448.79984	0.6
559.52893	0.6
563.33582	2.2
591.33154	0.8
617.34351	1.2
619.36450	0.6
635.35083	2.7
653.30011	52.8
654.30402	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
55.99936	0.3
57.03450	0.6
58.00595	1.6
59.01381	38.7
61.98542	0.5
61.98832	6.2
69.03464	2.1
71.01382	34.4
71.52721	0.5
72.99298	2.5
73.02950	5.6
75.00857	1.1
76.84256	0.4
78.95908	0.6
81.03452	1.6
83.01385	4.4
83.05006	0.4
85.02948	8.2
87.00880	9.0
87.04514	0.4
89.02447	28.8
90.02779	0.5
91.04028	0.6
95.01407	2.7
96.96016	0.7
96.96964	0.8
97.02953	5.8
99.00890	1.9
99.04536	1.0
101.02443	27.3
103.00376	0.5
103.03999	0.4
109.02932	0.6
111.00884	0.8
111.04524	0.8
113.02454	13.4
114.02746	0.4
115.04017	0.9
119.03510	9.3
121.02939	0.8
122.62329	0.3
123.00864	0.5
125.02448	11.3
127.04008	0.5
131.03503	1.3
133.05099	0.7
139.04013	1.3
141.01984	0.4
143.03510	5.1
149.04584	0.7
161.04549	6.4
167.03511	0.6
169.05054	0.6
179.05602	7.2
181.04979	0.4
209.11867	1.0
217.07043	0.6
219.05038	0.5
221.06607	2.1
235.08221	13.9
236.08629	0.7
237.06488	0.3
245.06592	0.8
253.09282	3.4
255.23286	95.4
256.23599	6.0
263.07751	1.2
269.24738	0.6
277.09299	1.4
287.07700	3.8
291.19525	0.5
305.08807	3.8
323.09726	1.7
361.11435	0.6
379.12405	0.8
397.13492	100.0
398.13779	5.6
415.14560	34.2
416.15015	2.1
505.31036	0.5
545.21985	1.0
621.23767	1.2
622.23297	0.6
635.24170	0.4
653.25781	1.7
654.27539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.1
61.98835	5.8
65.83351	0.5
71.01376	0.6
72.53024	0.5
83.05020	0.7
85.02952	100.0
86.03284	1.5
87.00876	1.0
93.03461	0.6
96.44144	0.5
98.00112	2.4
99.04515	6.1
101.06075	0.6
107.05042	0.7
109.06613	0.6
118.25982	0.5
121.02946	2.1
121.06598	2.8
122.20559	0.5
123.04516	1.3
123.08172	17.1
124.08546	0.7
133.06570	0.9
134.82364	0.4
135.04512	0.8
137.06090	0.9
144.66824	0.5
147.04497	1.0
147.08098	0.8
161.06183	0.6
161.09705	0.8
167.07086	0.5
187.11263	1.3
213.09209	0.8
269.15640	0.6
291.17487	0.6
316.65045	0.5
323.16382	0.6
323.66724	0.5
349.47992	0.5
371.18631	1.1
373.23987	0.6
409.20123	2.2
421.80029	0.5
427.21045	2.8
428.21542	0.6
431.01648	0.6
445.22372	3.3
495.23907	17.5
496.24374	1.5
539.22925	0.9
549.29041	0.5
551.41254	0.6
553.23804	1.4
561.24286	0.6
571.25244	2.7
577.28076	25.1
578.28369	3.7
609.30847	3.2
621.27075	9.1
622.28351	0.8
653.29669	39.4
654.29956	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	653.2966
Annotation	Moluccensin C
Peak:m/z	Relative Intensity
56.73853	0.7
58.34517	0.7
59.01380	2.3
61.98830	5.5
69.03438	1.1
71.01385	0.8
72.33791	0.8
79.05544	1.5
83.05035	0.9
85.02950	100.0
86.03281	1.6
95.05006	2.6
97.02945	0.9
97.06591	1.0
98.00069	1.0
99.04518	38.8
105.07116	0.9
108.02206	0.7
111.04500	1.0
116.72571	0.7
121.02938	3.4
121.06586	3.0
122.03735	4.7
123.04519	5.2
123.08154	16.7
131.08539	0.7
133.06558	3.9
133.10164	1.0
135.08119	0.9
136.94275	0.7
147.08165	1.0
149.06116	0.8
155.07149	0.8
157.06631	2.0
159.08156	1.0
161.09723	1.3
173.09738	1.8
175.07509	0.8
183.08090	1.3
187.11258	1.5
199.07613	0.9
201.45856	0.9
213.09239	2.3
227.07262	1.2
255.13875	2.2
361.18210	1.7
375.59070	0.9
391.19199	3.8
409.19986	1.6
427.21420	8.7
445.22278	6.0
477.22794	3.2
490.87460	0.8
491.24066	1.1
495.23904	12.6
496.24069	0.8
527.26434	2.3
533.28955	3.2
549.28522	2.9
559.27533	1.0
577.28033	46.9
578.28424	7.4
609.30701	7.8
610.30359	1.1
621.27179	5.0
622.27911	1.4
653.29681	63.9
654.29950	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	653.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13905	0.6
54.65353	0.6
59.01364	1.4
71.01415	0.8
76.63217	0.8
79.05545	1.2
81.03461	2.4
85.02953	75.9
86.03292	1.4
97.02956	2.7
99.04522	100.0
100.04860	2.0
107.05019	1.2
109.02952	2.2
111.04529	1.4
121.06603	2.5
122.03737	1.6
123.08168	15.7
133.06610	4.2
138.46133	0.7
145.06523	0.7
149.06137	0.7
159.08058	1.1
161.09663	1.2
171.04987	0.7
173.09685	1.3
185.09683	0.8
186.06618	0.7
187.11243	1.5
198.06866	1.0
199.07643	0.9
201.09250	0.7
213.09198	3.9
214.09856	0.8
229.12325	1.3
391.18970	1.0
407.18625	1.8
409.19983	1.3
427.21085	4.9
428.21393	1.0
451.24863	1.5
477.22778	1.2
491.24387	0.9
495.23642	1.6
506.26428	0.8
507.23816	0.8
509.25638	4.4
533.29364	4.1
577.28070	20.7
578.28290	3.5
580.12872	0.8
609.30627	27.6
610.30829	4.2
621.26770	0.9
625.30060	1.0
653.29620	54.8
654.30035	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	653.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.3
61.98826	2.4
70.81808	0.3
71.01357	0.4
76.94030	0.3
83.05013	0.7
85.02941	0.6
97.02915	0.6
97.06570	0.8
98.20046	1.9
99.04517	100.0
99.65405	0.3
100.04868	2.0
102.16480	0.3
105.07090	0.6
107.05000	0.4
115.58471	0.3
121.02943	4.1
125.06080	0.7
132.05780	0.5
133.06577	1.0
135.08141	0.7
147.04578	0.5
147.08179	1.2
159.08177	0.6
161.09691	0.9
171.08226	0.4
173.09659	0.9
179.10851	0.4
185.09790	0.4
187.11247	1.9
189.12836	0.6
198.06891	0.4
199.07642	0.8
199.11285	0.4
203.14380	0.4
212.08434	0.6
213.09146	1.3
214.10034	0.8
215.10738	0.6
215.14355	0.5
231.94673	0.3
243.13901	0.8
263.10666	0.5
269.15414	0.6
290.74185	0.3
295.15576	1.7
305.15659	0.4
307.55060	0.5
317.19009	0.4
335.20099	0.4
358.18652	0.4
361.18527	0.4
365.17490	0.6
373.19974	0.4
377.17584	0.4
401.23386	0.9
409.20160	0.7
427.21246	3.5
450.69214	0.4
473.25296	1.2
483.27182	0.8
491.24396	0.9
509.25415	38.4
510.25751	4.8
527.26459	50.5
528.19165	0.6
528.26758	6.9
553.24530	3.3
554.24969	0.6
571.25531	2.9
579.25610	0.6
591.27563	1.2
609.30872	3.2
610.31128	0.5
635.28369	2.1
636.28973	0.4
653.29797	3.2
654.29382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67935	0.7
59.01379	38.4
61.98823	2.6
68.95129	0.6
71.01396	1.3
71.52554	1.3
73.02948	0.6
77.19643	0.6
83.01385	1.2
85.02956	4.0
85.58107	0.6
87.71294	0.7
99.04517	92.5
100.04865	1.5
103.05524	0.9
108.47855	0.7
111.28153	0.6
119.44358	0.6
121.02966	9.8
145.06625	0.8
147.08171	0.8
157.99103	0.6
160.05275	2.2
173.09547	0.6
184.05348	0.7
185.09706	1.3
192.73872	0.6
197.06137	1.2
198.06895	1.4
199.07646	2.6
211.07643	1.2
213.09200	2.6
225.09186	0.8
226.06299	0.9
227.07011	0.8
240.07713	1.0
241.08698	2.8
265.12512	0.6
281.11664	0.7
313.12265	0.7
337.18094	0.6
404.72644	0.7
411.22000	1.1
427.20996	1.9
455.20831	2.4
461.19952	1.0
493.21686	1.3
495.23880	2.2
509.25421	7.0
510.26297	0.9
519.23779	0.8
521.21405	1.3
527.26489	4.2
528.26678	0.8
533.25305	3.2
534.25623	0.9
537.24969	7.8
539.22772	1.4
551.26672	1.7
553.24402	12.6
554.24713	1.8
561.24829	1.6
569.27460	1.6
571.25989	1.9
575.25531	2.0
577.27795	2.4
579.25928	2.4
593.27655	8.2
594.27734	1.9
621.27008	44.7
622.27460	7.6
623.25372	1.5
653.29675	100.0
654.30011	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	653.296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	33.2
60.67057	0.6
61.98820	2.8
71.01378	0.9
76.65584	0.6
83.01399	1.1
85.02939	1.6
99.04517	75.4
100.04826	1.8
103.05515	1.1
121.02969	3.9
127.39145	0.8
147.04582	1.2
160.05247	1.7
171.08127	1.2
183.08064	1.0
197.06035	0.8
197.09596	1.3
198.06914	1.8
199.07628	2.8
201.09114	1.0
211.07687	1.2
213.09164	2.2
241.08620	3.2
310.21033	0.7
313.12225	0.8
403.19153	0.8
409.19974	0.9
427.21182	1.1
437.20248	1.0
455.20190	1.4
493.22610	2.1
495.24054	0.9
509.25568	3.9
533.25659	2.9
537.25122	6.0
538.25116	0.8
539.23218	0.9
551.26416	1.0
553.24402	13.3
554.24689	2.2
569.27448	1.7
579.25647	3.4
593.27539	7.6
621.26990	44.3
622.27448	6.0
653.29669	100.0
654.29932	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	653.2664
Annotation	Cryptophycin 38
Peak:m/z	Relative Intensity
53.48226	0.6
57.03440	3.2
58.00584	1.6
59.01382	32.4
61.98821	1.8
69.21285	0.6
69.61749	2.6
69.62164	1.0
71.01381	16.4
72.99288	1.6
73.02950	5.8
83.01392	1.6
84.40973	0.6
85.02956	11.9
86.00141	0.6
87.00866	1.0
87.04528	0.9
89.01937	0.8
89.02444	9.5
95.01392	1.0
95.05006	0.8
96.95963	0.6
99.00882	0.8
99.04513	2.4
101.02442	9.8
101.80399	0.5
103.04010	18.1
106.06622	1.0
113.02454	5.5
116.92819	2.2
119.03481	3.7
133.72173	0.5
143.03445	1.0
143.04645	0.6
144.44766	0.6
145.05075	0.6
147.04553	0.8
161.04549	0.7
163.11255	3.9
175.11243	0.8
181.12334	19.1
182.12617	1.0
195.13901	5.1
199.13672	0.6
207.10199	1.9
223.13362	2.1
225.11322	39.2
226.11545	1.8
239.12859	2.2
247.08189	1.0
265.09268	3.1
267.12393	7.2
327.14313	1.5
401.13531	0.8
405.17484	2.5
429.21121	3.3
473.20267	32.1
474.20413	2.0
491.20911	0.7
509.20526	0.7
549.27118	1.6
567.22620	0.7
590.31879	1.4
609.29712	0.9
621.27979	0.7
653.26428	100.0
654.26740	11.1
654.36908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2602
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
57.03431	1.2
59.01378	33.8
61.98829	20.1
63.99202	0.8
64.05903	0.9
67.01895	1.2
69.03458	5.7
71.01373	4.4
72.99285	0.9
73.02937	1.5
73.99660	0.8
75.26668	0.9
81.03421	1.2
83.01369	1.3
83.05004	2.8
85.02926	2.4
87.00861	1.3
93.03423	3.5
99.00837	2.1
99.03928	1.3
99.04517	23.0
101.02397	2.7
103.03983	1.3
107.04949	1.1
111.04458	3.9
119.05029	6.7
121.02955	100.0
122.03270	2.2
133.06508	1.3
147.04524	12.2
147.08124	0.9
148.04782	2.1
150.06850	6.2
153.99886	0.8
189.09222	1.2
194.94743	1.0
197.06001	1.0
211.41408	0.9
213.09218	1.2
295.15329	3.1
455.21127	1.3
473.21423	1.2
495.27112	1.3
505.25183	1.7
523.26453	3.8
531.24194	1.2
533.25220	1.1
537.24530	2.8
549.25153	5.7
550.24811	1.2
551.26447	1.0
553.24231	3.7
561.23663	1.2
567.26031	8.7
567.34082	1.7
573.26288	3.1
579.25140	1.1
588.29236	1.0
590.30762	7.8
591.25415	3.3
593.26276	3.4
609.26947	80.8
610.27264	11.7
615.28143	2.4
617.24994	1.3
621.27100	12.0
622.26801	1.5
635.24884	8.9
636.25165	1.4
653.26801	52.2
654.28540	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	653.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	44.9
61.98830	14.2
71.01358	1.3
71.54324	1.2
85.02965	3.5
87.04512	2.6
93.03479	1.8
98.20214	1.4
99.04521	90.0
100.04877	2.5
121.02959	16.2
121.46559	1.1
147.04538	2.8
161.05962	1.3
168.11385	1.2
185.06084	1.8
198.06790	1.7
199.07625	2.6
211.16667	1.2
237.09230	1.5
241.08736	3.7
270.86121	1.1
333.40323	1.2
405.17752	1.3
409.20270	1.3
432.42105	1.2
451.17755	1.5
455.20703	2.0
509.25543	7.4
527.26489	5.6
533.25201	3.1
537.24994	6.8
538.25262	1.6
539.23004	1.9
553.24609	10.7
554.24658	2.1
571.25433	2.3
575.25952	1.9
577.27155	2.7
579.26154	7.9
580.25659	1.8
591.29602	1.9
593.27557	7.3
617.26007	10.3
621.27026	42.5
622.27264	5.5
653.29871	100.0
654.30304	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	653.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05794	1.1
54.63659	1.1
59.01379	47.4
61.98825	13.1
71.01372	1.2
73.02930	1.2
74.02029	1.0
78.62160	1.1
83.01410	1.7
84.97635	1.0
85.02953	4.1
87.04517	2.0
95.05034	1.0
98.19881	2.8
99.04519	93.1
100.04826	1.4
101.02413	1.2
105.79356	1.0
108.24291	1.0
111.04613	1.1
115.37759	1.0
121.02951	15.7
131.87164	1.1
135.04575	1.4
147.04509	2.5
147.08064	1.0
157.59840	1.1
160.05286	3.0
184.01315	1.1
197.06129	1.7
197.09718	1.2
198.06961	1.3
199.07626	2.8
210.95531	1.2
211.07687	1.8
211.15533	1.1
213.09236	4.8
222.03319	1.0
240.07814	1.4
241.08702	3.9
405.58383	1.1
423.32565	1.3
427.21143	1.7
451.17413	1.7
455.20877	2.2
493.22287	2.3
502.65475	1.1
509.25397	6.3
527.26331	5.2
529.20905	1.3
533.25684	4.0
537.25214	8.7
539.23083	2.1
553.24530	9.8
571.25708	1.7
575.26202	1.9
577.27588	2.3
579.26056	7.4
593.27765	7.4
609.29053	1.3
617.26038	10.1
618.26508	1.7
621.27008	42.6
622.27600	4.2
635.28638	1.2
653.29791	100.0
654.30237	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	652.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.3
61.98830	100.0
69.32052	0.7
69.32461	0.4
91.40988	0.2
117.26063	0.1
121.02957	0.4
122.03296	0.3
138.06715	0.1
165.58287	0.1
166.23360	0.1
171.15833	0.2
228.97598	0.2
240.70016	0.1
241.13487	0.2
247.88203	0.1
424.73346	0.1
436.30563	0.2
469.26407	0.1
558.05127	0.1
644.21143	0.2
653.26532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01710	1.7
61.98830	23.1
71.01373	6.7
71.05050	1.3
73.02941	2.7
75.00879	1.4
81.03442	6.2
83.05029	4.6
85.02942	5.0
87.00912	1.4
88.98811	1.8
95.05003	3.1
96.96092	1.9
97.02934	2.2
97.06582	1.2
98.20401	6.7
99.04520	35.2
101.02437	2.2
109.06586	4.9
111.00847	1.5
111.04515	4.3
113.02493	1.6
113.06083	3.5
119.03516	1.6
121.02948	10.9
122.03305	1.7
124.01650	2.1
125.02455	3.9
127.03967	1.8
135.88251	1.1
137.06078	2.5
140.58289	1.4
141.05588	16.0
147.04514	12.2
147.08148	1.5
148.04829	1.8
151.04030	1.3
168.00772	1.3
209.11769	1.9
219.10391	1.2
309.64578	1.2
311.16461	3.3
353.17554	1.3
385.20273	1.6
393.20972	1.2
405.90927	1.2
427.21213	2.1
470.25891	1.2
471.23984	2.1
487.23392	1.8
489.25464	1.8
515.22815	5.9
527.26508	1.5
531.25909	2.7
533.23486	3.3
535.23376	4.8
549.32562	2.8
553.24207	12.2
557.23822	7.3
558.25037	1.3
563.25793	2.0
567.33673	1.6
571.25415	4.0
575.24902	48.6
576.25311	5.4
590.30432	1.3
593.27246	3.0
617.26013	45.7
618.26019	6.2
621.26990	1.9
622.30090	2.2
635.28052	2.6
653.30511	15.9
654.28345	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	651.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37063	1.1
52.50689	1.1
57.03445	2.7
61.98825	3.6
69.86380	2.9
69.86800	3.1
76.84017	1.1
78.95908	4.8
98.20594	2.0
107.20466	1.1
152.99536	1.7
158.50264	1.0
195.14153	1.3
223.20653	52.7
224.20973	2.4
241.21854	1.3
243.84267	1.0
247.20667	24.8
255.23378	3.5
265.21634	1.9
267.19635	34.8
268.19885	2.4
273.18549	4.9
285.20709	50.5
286.21060	3.7
291.19669	23.1
292.20084	1.3
309.20691	40.3
310.20966	3.3
359.24435	12.6
383.24405	10.7
532.21924	1.3
651.44855	100.0
652.45197	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	652.261
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33678	0.2
59.01381	2.8
61.98829	100.0
65.32759	0.2
66.09253	0.2
69.44728	0.8
69.45153	0.6
71.01382	0.9
73.02944	0.4
75.00889	0.4
80.37389	0.2
81.03480	0.2
81.62807	0.2
85.02944	0.6
87.04530	0.3
89.02410	0.4
93.03451	0.3
96.96035	0.2
98.19891	0.5
98.20549	0.5
99.00903	0.2
99.04512	1.7
100.04877	0.6
101.02465	0.8
101.04946	0.2
109.02981	0.2
111.04572	0.2
112.43176	0.2
113.02464	0.4
121.02938	0.3
125.02406	0.2
125.09770	0.3
147.04517	0.8
152.86285	0.2
413.94141	0.2
419.43655	0.2
424.92065	0.2
490.21738	0.4
491.21680	0.6
492.22366	1.1
504.27002	0.4
505.28040	0.4
534.28174	0.5
574.28021	0.3
592.27734	0.6
594.29053	0.8
622.29059	0.4
634.30927	0.2
651.39270	0.2
652.29901	2.1
652.39563	0.4
653.32043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.317
Annotation	Gnididilatin
Peak:m/z	Relative Intensity
57.18250	0.7
59.01379	54.5
60.01700	3.7
60.39330	0.7
61.01802	2.1
61.98831	27.5
71.01380	1.3
71.52902	0.7
73.02961	1.7
75.00846	0.9
78.95911	2.0
83.01393	1.4
84.02167	2.8
85.02957	1.1
99.04519	100.0
100.04848	1.3
101.02467	1.0
117.07098	0.9
121.02962	8.1
123.04552	1.6
137.09723	1.6
139.32452	0.7
144.79018	0.7
145.06641	0.9
147.04529	2.3
150.73878	0.7
152.99594	1.0
157.06560	1.8
157.56247	0.6
159.04454	0.8
159.08083	0.7
160.05295	2.9
161.06067	2.2
161.09799	0.7
163.07625	0.8
164.67357	0.8
170.07378	1.3
171.08153	3.2
173.05969	0.8
174.06918	0.8
175.07686	1.4
185.09692	2.2
187.07748	1.1
189.09247	4.9
190.09999	1.3
197.06044	1.7
197.09769	1.1
198.06834	2.7
199.07649	3.0
201.09254	1.5
213.09171	5.9
215.10818	0.8
216.07826	0.6
218.09476	5.2
227.07002	1.1
229.08690	1.0
230.09447	2.3
231.10225	2.4
241.08786	4.5
245.11806	15.9
246.12350	0.8
259.09717	1.9
273.11389	3.6
274.12082	7.6
419.19092	0.7
421.11365	1.0
455.20609	3.2
519.23425	0.8
537.25305	2.0
567.29883	1.9
571.28796	1.4
573.29065	1.3
575.26056	1.1
591.29633	1.4
601.28223	1.3
613.30133	3.7
615.30634	1.0
619.29047	21.0
619.38947	1.3
620.29437	2.7
623.31964	1.0
633.30664	3.8
651.31750	77.2
652.32037	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50459	0.7
61.98823	1.1
78.95905	100.0
79.95729	2.7
80.96508	1.8
81.03499	1.1
83.05023	1.9
96.96037	4.2
96.96957	8.0
98.19875	2.0
134.98531	1.4
152.99585	53.5
163.11279	2.2
165.12784	1.1
197.77769	0.9
199.40115	1.0
209.11818	29.6
209.13818	1.7
210.12105	1.3
227.12939	4.2
228.34479	1.0
255.23280	79.6
256.23648	7.1
277.21603	1.1
315.93500	0.9
351.37067	0.9
363.12097	8.2
391.22522	23.5
392.22681	0.9
395.14700	4.7
409.23654	10.5
410.24121	1.3
482.33679	0.9
619.36121	59.3
620.36639	6.5
633.36877	2.5
651.38647	33.0
652.38916	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	651.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
59.01378	100.0
60.01723	0.8
61.98827	8.2
69.03464	0.4
71.01396	1.1
72.99309	0.4
73.02960	0.3
73.55095	0.3
75.00879	1.2
80.78548	0.4
81.03437	0.3
83.05032	0.9
85.02964	1.0
87.00910	0.4
87.04524	0.6
96.96011	0.3
98.19952	0.8
99.00885	0.3
99.04492	1.6
101.02477	0.3
107.05081	0.4
113.02456	0.5
119.05020	0.4
121.02959	2.3
135.04536	0.4
147.04524	9.1
147.05669	0.6
147.08119	0.4
149.09677	0.3
171.04507	0.7
171.10226	1.5
191.10732	0.3
229.01833	0.3
272.61624	0.3
278.87637	0.3
344.81186	0.3
429.19464	1.8
431.20636	0.6
503.24203	0.4
515.26740	0.4
523.76276	0.3
547.29083	16.7
548.29407	1.9
550.49463	0.3
559.23792	1.3
561.24854	4.3
562.25250	0.6
565.30005	1.4
573.26868	0.5
588.30182	0.8
589.26904	0.3
591.26941	1.2
593.27515	1.5
607.30560	0.5
615.28015	2.7
633.26367	0.7
651.28210	3.7
651.37872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99936	0.2
59.01381	100.0
60.01719	0.8
61.98834	2.7
62.09645	0.3
69.30931	0.5
69.31334	1.8
78.95935	0.2
99.04544	0.3
121.02948	2.5
147.04564	0.9
159.43083	0.3
167.07140	0.3
178.36807	0.2
371.85611	0.3
422.96109	0.3
586.37585	0.3
619.22327	0.4
651.29742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99418	1.0
57.03440	2.4
58.00590	1.3
58.74035	0.9
59.01379	48.3
59.59398	0.8
61.98813	2.5
69.03432	1.5
71.01379	11.9
71.05041	1.1
71.54408	1.5
72.99314	1.1
73.02945	12.3
74.99084	1.4
83.01369	1.3
83.05026	2.2
85.02945	5.7
87.00871	1.9
87.04494	1.6
88.98824	1.1
89.02435	2.8
96.96007	1.6
97.02911	1.7
97.06563	1.3
99.04517	28.2
99.92609	1.2
101.02441	4.3
103.04058	2.2
111.04529	1.2
113.02475	1.9
115.75934	0.9
116.92847	3.2
117.53969	1.0
120.99670	2.0
123.04553	1.1
123.08176	1.3
128.90131	1.5
129.01935	1.2
135.04437	1.2
139.03896	1.1
151.11263	1.1
154.06358	13.4
161.04636	1.0
187.09862	1.1
190.17151	1.1
193.01385	2.3
201.12897	2.4
208.16943	1.2
265.09274	1.2
269.04669	1.9
271.02530	1.2
280.11295	1.5
295.15482	3.3
314.44852	1.2
335.18765	1.0
342.03696	9.9
343.04388	5.0
393.22729	1.4
403.23209	1.4
405.23026	2.1
413.23715	1.6
421.22247	1.1
423.23892	9.3
445.18146	1.6
473.25629	1.5
489.24927	1.1
503.26514	23.3
504.26700	2.5
505.28177	4.4
506.28848	1.2
513.24847	2.9
517.24139	1.4
531.26013	2.4
547.25488	3.5
549.26941	16.3
561.23883	1.9
591.28076	100.0
592.28546	11.1
607.34174	10.9
608.33099	1.2
635.97101	1.2
651.15747	8.3
651.30365	70.9
652.15961	2.3
652.30731	7.9
681.38702	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
57.03453	2.7
59.01380	40.0
61.98831	3.3
71.01385	12.2
72.99326	2.1
73.02945	12.3
75.00873	1.0
81.03449	1.5
83.01382	2.5
83.05026	1.8
85.02949	8.9
87.00880	2.8
88.98792	1.1
89.02445	4.5
95.01369	1.6
95.05045	1.9
96.95998	1.9
97.02942	2.0
97.06598	2.7
99.04520	26.2
101.02460	7.5
103.04021	3.8
109.06563	1.3
110.75494	0.9
111.04541	2.2
113.02426	5.0
119.03526	1.8
121.02951	1.5
121.06573	0.8
123.04539	1.1
125.02406	1.0
128.57005	0.8
134.03746	2.1
137.06030	1.9
137.09656	0.8
143.03429	1.2
147.04495	2.6
153.09120	1.0
154.06345	8.3
161.04533	4.7
165.05698	0.9
171.10306	1.7
175.03996	1.4
178.02734	1.2
193.05077	2.7
201.11211	1.1
201.12938	1.4
203.10968	1.0
207.06740	1.9
219.10159	1.1
295.15637	2.1
309.17355	1.0
321.66675	0.9
357.20895	1.1
385.26038	1.2
400.93433	1.0
406.40067	0.9
419.19052	1.6
421.22559	1.0
423.23883	5.1
429.26550	3.0
443.24060	1.2
449.21240	1.3
465.44687	1.0
497.26013	1.1
499.23492	2.0
503.26031	5.5
505.28052	3.0
513.24854	2.3
515.26788	1.2
517.24512	1.6
533.27570	5.0
549.27106	11.2
550.27759	1.2
559.25513	2.3
573.26355	1.4
575.28522	2.5
591.27954	31.1
592.28644	2.9
593.29639	1.1
607.33862	5.2
651.30463	100.0
652.30823	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	651.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.3
57.26472	0.7
59.01380	27.8
61.98830	63.8
68.76276	0.6
68.78429	0.6
69.03426	1.0
69.33639	1.6
69.34053	4.0
71.01382	7.9
71.05006	1.2
72.99310	1.4
73.02940	1.4
75.00880	1.4
78.01778	0.7
81.03448	1.3
83.01373	0.9
83.05022	9.3
85.02447	1.2
85.02946	12.1
86.03285	1.2
87.00887	1.6
87.04516	4.3
88.98804	0.9
89.02441	4.5
95.01386	0.8
95.05048	0.9
97.06592	0.8
99.00898	1.7
99.04525	4.5
101.02496	3.4
101.03012	0.7
101.06095	1.4
103.04010	23.1
107.04984	0.8
109.02946	0.9
111.04508	0.8
113.02451	2.9
113.09709	0.8
115.07645	7.8
119.03503	1.7
121.02986	4.3
123.04483	0.8
125.06063	2.3
127.03999	1.7
133.06537	0.7
134.03607	0.7
139.07663	7.8
141.05579	1.2
147.04532	5.7
151.04051	0.7
156.10251	4.9
157.08702	6.4
158.11839	10.1
161.09688	0.7
163.07564	1.7
171.10234	0.9
177.09146	0.8
181.08687	3.0
181.12337	2.6
199.09726	4.1
209.19006	0.7
223.09756	1.9
224.12874	3.7
242.14015	1.5
247.08243	1.1
265.09244	10.8
283.10931	1.1
322.20160	11.3
323.20313	0.8
340.21103	4.0
411.61539	0.8
413.20184	0.7
471.20151	1.7
490.22583	0.9
492.54987	0.7
547.38422	1.0
559.26477	0.7
561.26740	1.5
588.30225	100.0
589.30615	11.5
615.28131	3.0
619.17755	0.8
651.26184	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	651.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.8
59.01380	17.5
61.98830	84.7
63.38161	0.7
68.99828	0.7
69.42464	0.8
71.01377	9.3
71.04996	2.0
72.99310	6.1
73.02937	1.5
75.00884	1.5
81.03455	5.0
83.01356	0.8
83.05029	15.4
85.02950	12.1
86.02462	2.9
87.00839	0.9
87.04517	1.0
88.98808	1.1
89.02443	2.0
93.03464	1.1
95.05042	1.7
97.02953	1.5
97.06600	1.3
99.00880	9.2
99.04520	3.7
101.02448	3.8
101.06057	2.6
103.04012	22.2
107.05041	1.7
109.02977	0.8
111.04506	2.3
113.02457	2.1
115.07640	2.1
119.03519	0.9
119.04987	1.6
121.02969	5.3
121.06599	0.9
123.04505	2.8
125.06099	4.3
127.03997	1.5
127.11297	5.0
135.04488	0.9
139.04002	1.3
141.05580	3.7
142.08728	0.8
145.05064	4.9
147.04518	38.4
148.04813	0.8
149.06036	1.5
153.12865	1.0
159.06656	0.8
165.05458	1.0
167.03464	1.2
168.10242	0.8
169.05069	4.4
169.12343	8.4
171.10266	1.0
176.04610	0.8
177.05672	0.9
182.15456	1.4
185.04486	1.8
188.09306	4.5
193.05061	1.3
211.06010	1.3
212.09334	2.0
212.16455	3.4
242.13953	1.3
247.08263	1.3
265.09308	7.9
281.75626	0.8
284.09308	3.1
322.20154	1.8
328.08286	1.0
340.21191	1.7
382.22318	1.2
429.19150	0.9
455.16830	1.7
473.18402	1.1
503.19241	3.2
561.24377	1.6
576.16821	1.6
588.30219	100.0
589.30646	12.9
593.27771	1.2
607.29956	8.6
615.27661	1.0
633.24689	0.9
640.86731	1.0
651.24689	4.6
652.26947	0.8
655.70721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	26.5
61.98831	37.7
64.92454	1.1
69.19090	11.9
71.01384	6.4
72.99315	2.7
75.00875	13.1
79.05538	2.7
83.05022	1.6
85.02948	4.0
88.98806	4.2
89.02452	1.4
90.98096	1.2
93.03439	1.4
97.06587	1.7
99.04523	10.7
101.02444	2.6
103.04045	2.1
103.05519	2.6
107.05017	4.5
109.06593	1.7
111.04493	1.8
119.05048	3.0
120.06417	1.1
121.02954	15.4
121.06541	1.4
123.04486	1.7
124.61794	1.3
133.06596	1.9
133.10207	1.7
135.04514	4.9
135.08136	2.0
137.06126	1.6
144.05788	1.6
145.06566	1.7
147.04527	100.0
147.08119	2.0
148.04852	2.8
157.06538	1.7
159.08139	3.1
161.06038	2.7
162.31837	1.3
163.07625	2.3
164.08273	1.2
169.12302	1.5
171.04544	3.6
175.07681	1.6
199.07768	1.7
217.08563	1.9
321.14896	1.7
373.20163	1.7
411.17874	1.4
427.21078	1.6
429.19202	17.8
431.20621	5.3
445.22147	2.8
489.21072	1.6
503.24417	5.4
559.23517	11.6
560.23669	1.9
561.24927	38.1
562.25195	3.9
575.26001	2.4
579.25629	1.6
588.30035	5.7
591.25922	11.5
592.26068	2.3
593.27533	16.6
594.28070	2.2
601.24274	1.8
605.26898	1.6
615.27692	3.6
619.25433	10.2
621.26868	2.2
631.22449	1.3
633.27173	8.8
651.27979	32.5
652.28534	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	651.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13781	0.4
57.03443	0.9
59.01379	28.9
59.81264	0.4
61.73065	0.4
61.98818	1.2
67.64923	0.5
69.03450	1.4
69.31355	3.4
71.01383	2.9
72.48576	0.4
72.99306	6.9
73.02942	1.8
77.31121	0.5
79.05527	0.8
83.01383	0.6
85.02940	2.8
87.00877	20.8
89.02427	1.0
96.96008	1.3
98.20446	1.9
101.02418	1.3
103.03997	0.8
109.02939	0.6
113.02424	0.7
115.92110	0.5
116.92844	0.6
121.02940	0.8
125.25793	0.4
134.03729	0.4
135.04506	0.5
135.08148	2.0
166.02774	0.6
186.01695	0.5
259.13501	0.9
265.09317	0.8
277.14392	1.8
278.15247	4.0
311.20038	0.5
321.22171	0.9
342.03726	0.5
351.23087	0.8
371.01398	0.5
387.14572	3.4
388.15118	0.6
392.72141	0.4
399.15240	0.6
399.25143	0.6
403.17554	1.6
407.29230	0.5
413.23380	2.0
425.23300	1.5
426.23792	0.5
431.24533	1.0
443.24344	11.6
444.24844	1.4
452.16638	0.5
458.92230	0.5
461.25369	13.4
462.25900	1.2
485.25134	1.1
487.23074	3.4
503.26498	100.0
504.26837	10.6
521.27368	0.8
547.25446	15.2
548.25897	1.6
565.26630	1.0
607.33344	2.9
651.32404	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	651.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	36.7
61.98539	1.6
61.98830	17.3
63.83858	1.2
71.01376	6.7
75.00883	7.7
79.05534	1.7
82.46288	1.3
83.05007	1.3
85.02956	3.3
87.00889	1.5
88.98799	4.0
95.04995	1.4
97.02964	1.3
99.00854	1.8
99.04516	33.5
101.02455	1.1
101.06140	1.3
103.05520	2.6
107.05035	3.0
111.04503	1.4
113.02466	1.7
119.05030	4.3
121.02962	41.7
121.06552	1.2
125.06040	2.2
131.05092	1.5
133.06584	4.4
133.10216	2.9
135.04526	4.1
137.06085	1.9
142.71115	1.4
145.02982	1.6
147.04524	100.0
147.08105	2.3
148.04860	3.4
149.06104	1.3
157.06635	2.0
159.08194	2.3
161.06102	4.8
171.04463	4.5
171.08110	1.4
171.10226	1.5
173.09720	3.7
184.05246	1.8
199.07486	1.9
319.17017	1.5
345.18491	2.0
363.19601	3.4
373.20035	1.9
389.17526	1.5
393.20767	1.5
415.30334	1.3
429.19000	11.5
431.20609	5.6
475.24768	3.6
493.26068	10.7
497.21936	1.4
503.24396	4.6
511.27170	6.5
529.20770	1.5
535.26544	1.9
537.24750	1.4
553.27838	6.3
555.25513	2.2
557.25470	3.3
559.23535	10.3
561.24878	24.6
562.25183	4.3
575.26489	3.9
577.24664	1.5
591.25818	9.1
592.26898	1.9
593.27338	11.2
597.27094	3.8
601.24847	2.7
607.27228	2.9
615.28186	24.6
616.28339	3.5
619.25562	9.9
621.26965	2.5
633.27136	27.2
634.27191	4.2
651.27405	31.3
652.27753	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	651.2445
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
50.22309	0.3
59.01382	5.5
71.01381	0.9
73.02942	0.6
75.46136	0.4
77.03984	0.5
83.05035	0.7
87.73663	0.3
93.03437	0.6
99.04507	0.5
109.06593	1.6
111.04574	0.4
115.92707	0.4
119.05010	0.7
121.02959	100.0
122.03303	2.8
133.06631	0.9
147.04515	4.9
161.06067	1.3
161.09773	0.7
173.09662	1.0
187.11311	1.6
213.09184	0.4
227.42886	0.4
227.96310	0.4
252.06076	0.4
333.48425	0.4
443.20947	1.4
445.22458	0.6
485.21790	1.6
529.20624	4.2
530.21130	0.7
540.89282	0.4
575.26532	5.4
607.29382	2.7
651.24414	40.1
652.24554	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	651.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.50887	1.0
56.19102	0.9
57.03447	4.7
59.01377	37.3
60.56867	1.0
61.98819	1.3
66.71574	1.0
71.01012	1.4
71.01377	19.4
71.54677	1.2
72.99313	2.2
73.02943	3.0
83.01343	2.7
85.02953	19.0
85.41461	0.9
86.75812	0.9
87.00858	2.3
89.02435	13.9
95.01380	2.1
96.96001	15.5
99.04498	3.3
99.08647	0.9
101.02439	9.6
103.04010	29.3
109.06551	1.0
113.02449	4.5
115.00362	0.9
119.03488	3.6
122.39411	0.9
124.05267	1.3
135.11772	3.8
145.05174	1.2
150.03191	1.6
151.03876	0.9
159.11780	2.2
161.09657	2.8
165.05559	1.5
175.11256	1.2
177.12848	2.7
179.10782	22.0
193.12309	2.9
205.08696	1.5
221.11819	6.5
223.09729	12.8
235.06032	1.1
241.08691	1.6
247.08049	1.9
265.09085	13.0
266.17227	1.0
271.02621	1.5
279.08926	1.7
289.11130	13.3
300.02609	2.8
387.14462	1.1
396.33292	1.0
403.15747	1.9
427.19632	14.6
471.18671	42.4
472.18997	3.9
565.20410	1.6
607.33746	9.9
651.24872	100.0
652.25067	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	651.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
58.00585	1.8
59.01379	29.0
66.58385	1.0
69.15823	9.6
71.01379	15.1
72.99313	1.5
73.02938	1.9
75.75297	1.0
81.26347	1.0
85.02531	1.2
85.02958	14.6
87.00874	1.7
89.02444	11.2
98.19935	2.2
99.04501	2.9
101.02452	7.1
103.04012	20.7
113.02444	4.6
119.03496	4.0
123.63985	1.0
135.11765	2.3
159.11795	1.2
161.09703	3.0
171.47926	1.0
179.10771	15.6
193.12335	2.9
220.84912	1.0
221.11827	5.3
223.09781	6.7
265.08954	7.7
427.19650	11.6
471.18671	18.4
521.79297	1.1
607.33673	2.3
651.25037	100.0
652.25232	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	651.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.50887	1.0
56.19102	0.9
57.03447	4.7
59.01377	37.3
60.56867	1.0
61.98819	1.3
66.71574	1.0
71.01012	1.4
71.01377	19.4
71.54677	1.2
72.99313	2.2
73.02943	3.0
83.01343	2.7
85.02953	19.0
85.41461	0.9
86.75812	0.9
87.00858	2.3
89.02435	13.9
95.01380	2.1
96.96001	15.5
99.04498	3.3
99.08647	0.9
101.02439	9.6
103.04010	29.3
109.06551	1.0
113.02449	4.5
115.00362	0.9
119.03488	3.6
122.39411	0.9
124.05267	1.3
135.11772	3.8
145.05174	1.2
150.03191	1.6
151.03876	0.9
159.11780	2.2
161.09657	2.8
165.05559	1.5
175.11256	1.2
177.12848	2.7
179.10782	22.0
193.12309	2.9
205.08696	1.5
221.11819	6.5
223.09729	12.8
235.06032	1.1
241.08691	1.6
247.08049	1.9
265.09085	13.0
266.17227	1.0
271.02621	1.5
279.08926	1.7
289.11130	13.3
300.02609	2.8
387.14462	1.1
396.33292	1.0
403.15747	1.9
427.19632	14.6
471.18671	42.4
472.18997	3.9
565.20410	1.6
607.33746	9.9
651.24872	100.0
652.25067	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	651.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	25.4
61.98801	2.5
69.03437	1.2
69.22702	6.5
71.01369	3.9
72.99310	6.9
73.02957	1.1
81.03443	1.4
83.05016	1.8
85.02957	5.0
87.00855	2.8
88.38007	0.8
90.97673	0.7
93.03468	4.1
95.01337	0.8
95.05030	2.1
97.02936	2.4
99.00881	8.1
99.04479	2.8
103.05511	3.5
107.04994	1.7
108.02180	1.4
109.02931	3.0
111.04550	4.8
113.02434	2.0
119.04971	3.1
119.94782	0.9
121.02962	19.8
121.06577	3.0
122.03728	1.2
123.04516	6.7
125.02429	1.7
125.05978	1.0
127.03991	3.3
131.04976	1.3
133.06567	0.9
135.04478	2.1
137.02373	0.8
137.06059	2.4
139.03993	1.8
147.04523	100.0
148.04813	2.9
149.02353	1.0
149.06090	7.1
150.03165	2.1
151.03947	3.4
151.07597	0.8
161.06085	1.9
165.05569	2.4
167.03430	2.3
167.07187	1.0
174.00629	0.9
175.03946	2.2
176.04654	1.6
177.05559	1.5
192.04323	1.0
193.05043	7.9
194.05760	2.8
211.06065	2.3
261.09119	1.1
267.03284	0.9
271.04272	0.8
315.76392	0.9
337.16690	1.9
347.16513	1.3
352.91312	1.0
376.23141	0.9
377.17633	1.2
387.17935	5.2
395.18634	2.5
397.16541	1.3
413.19467	2.6
415.17538	2.6
431.20840	1.3
441.19092	2.0
459.20450	1.9
475.19635	3.4
477.20993	3.6
517.22522	2.4
519.25537	1.5
535.23492	1.0
543.23846	1.2
561.24805	4.9
563.22705	1.5
570.54297	1.1
579.25848	5.3
589.24396	3.6
591.35529	2.4
607.25494	32.3
608.25525	4.1
633.22864	1.1
651.24286	71.8
652.24500	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	651.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.2
69.31690	2.9
71.01378	3.2
73.02936	0.8
84.60297	0.4
85.02937	3.0
89.02442	1.7
93.03442	0.8
95.01370	1.8
98.19915	0.8
101.02438	2.1
108.02169	52.5
109.02965	16.6
113.02442	1.4
115.00346	0.4
119.03516	0.7
119.05021	0.7
121.02955	1.4
122.03736	1.7
123.00906	3.1
123.04525	4.6
125.02480	0.5
134.03688	0.4
135.04495	0.8
137.02463	0.7
149.02422	0.5
149.06003	0.6
151.04007	1.5
152.01140	47.0
153.01933	17.9
154.02284	0.5
154.36700	0.4
161.04483	0.7
163.03964	1.4
165.01953	1.4
167.03502	4.6
177.01752	0.5
177.05571	0.6
239.05539	1.0
285.09799	0.5
309.11856	5.1
315.07196	100.0
316.07565	5.8
329.08755	3.6
387.00015	0.4
420.40451	0.5
445.97418	0.4
459.02362	0.5
651.18909	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93841	0.6
57.03442	1.2
59.01379	28.3
60.05647	0.6
61.98830	5.0
67.04475	0.5
69.03452	1.3
71.01402	2.4
72.99304	2.4
73.02952	0.8
79.63358	0.6
83.05041	2.2
85.02962	1.4
85.57796	0.5
88.98785	0.7
93.03484	0.9
95.05032	1.1
98.00143	0.9
98.20654	1.9
99.00884	2.8
99.04510	4.5
101.02478	0.9
101.06107	0.6
107.05035	1.5
109.06586	7.6
111.04489	1.5
121.02957	100.0
121.06593	1.3
122.03281	2.6
123.04543	0.7
127.03992	0.7
133.06609	1.6
135.04533	3.3
147.04510	10.8
147.08109	0.9
161.09752	0.7
175.07623	0.7
187.11255	1.8
189.09286	0.9
215.10504	0.8
229.62296	1.0
234.18791	0.7
361.97165	0.7
461.25467	0.8
485.21829	0.8
503.26309	1.2
529.20770	24.0
530.21149	2.9
588.30170	1.9
613.26428	6.4
615.27399	2.3
619.25293	2.3
633.26593	1.6
651.24414	86.6
652.24695	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	649.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89561	0.2
59.01380	19.5
59.53591	0.2
61.22418	0.2
61.98836	1.3
69.39491	0.8
69.39909	0.6
71.25233	0.2
77.03992	0.3
83.05050	0.3
85.02960	0.2
93.03506	0.3
95.05038	0.8
113.06079	0.5
121.02956	100.0
122.03304	2.2
175.15057	0.2
203.07048	0.3
381.20627	0.3
395.17261	0.2
395.22006	1.0
415.49591	0.2
423.21570	1.3
449.23560	0.2
545.25580	0.8
571.27063	0.5
589.28278	1.6
590.28693	0.3
649.24860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64759	0.3
51.23761	0.3
56.90678	0.3
59.01380	100.0
60.01723	0.8
61.98829	16.0
63.99250	0.5
71.01385	0.6
75.00925	0.4
82.27502	0.3
85.02953	0.4
93.03444	0.4
97.27579	0.3
99.04535	1.5
101.02441	0.4
121.02957	18.7
122.03313	0.6
131.05063	0.3
133.06699	0.3
147.04521	6.6
148.04874	0.5
179.07208	0.4
212.59454	0.3
225.82762	0.3
238.73552	0.3
259.89441	0.3
271.78012	0.3
411.18237	0.4
413.23578	0.5
425.20026	0.5
427.21808	0.4
459.53888	0.4
487.22202	0.6
503.24146	0.4
513.22565	0.5
531.23834	8.1
532.24420	1.1
557.21387	0.4
563.26691	0.7
571.29083	0.8
572.29901	0.4
573.24951	2.4
575.23053	1.8
576.23730	0.3
589.27930	2.4
613.30084	4.0
614.30481	0.7
617.24207	0.7
649.26514	2.8
650.27063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20865	0.3
59.01380	2.9
59.77536	0.2
61.98831	100.0
63.99245	0.5
69.22129	1.5
73.95130	0.2
88.98832	0.4
98.19867	0.6
99.04530	1.4
102.08615	0.2
121.02962	1.9
127.63535	0.3
133.06537	0.2
147.04529	3.7
148.04878	0.9
241.32320	0.3
293.55994	0.2
329.33145	0.2
527.26892	0.4
569.27368	1.5
606.28595	0.4
609.27325	0.3
650.27106	1.9
651.31775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64667	0.4
57.03446	1.7
59.01381	3.5
71.01379	6.6
71.52056	0.3
71.53128	0.6
73.02946	0.8
78.61902	0.4
83.01403	0.4
85.02959	2.0
89.02469	0.4
91.05508	0.4
93.03453	9.8
93.04028	0.6
96.96008	1.1
99.04515	1.2
101.02454	1.4
108.02162	0.9
109.06524	0.4
113.02435	0.7
115.00389	2.3
119.05027	70.1
120.05352	2.2
123.04569	0.6
123.08127	0.5
123.37980	0.4
125.02444	1.1
129.01935	0.5
131.05035	0.8
132.05788	2.1
133.06575	1.4
134.03699	1.0
135.04628	0.5
139.07687	3.1
143.04974	0.6
145.06604	2.6
147.02986	0.6
147.04485	1.0
151.07649	1.1
161.04604	0.6
163.04007	43.6
164.04355	1.6
177.05560	10.7
177.07127	0.6
179.10744	1.5
205.05109	0.4
209.11739	0.7
210.06854	20.7
211.07629	100.0
212.07962	5.5
227.12981	0.6
235.08038	0.4
236.08281	0.5
237.09216	6.2
238.09798	0.8
239.08307	0.8
239.10765	17.5
240.11191	0.9
253.08754	2.1
259.77902	0.4
271.11880	4.9
277.09283	1.1
283.09747	22.6
284.10092	1.5
323.13589	0.5
325.09213	1.4
327.08813	2.4
373.12891	1.6
379.12433	2.3
445.14987	2.9
489.14096	4.1
490.14514	0.5
517.15381	0.4
593.66119	0.4
651.19250	72.8
652.19641	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	649.3016
Annotation	2,9,10,13-Tetraacetoxy-20-cinnamoyloxy-taxa-4(5),11(12)-diene
Peak:m/z	Relative Intensity
53.38248	0.1
57.03467	0.2
59.01380	31.9
60.01707	0.2
61.98529	0.2
61.98830	1.9
65.52506	0.1
70.11732	0.6
71.01372	0.2
77.03954	0.2
78.95918	0.3
85.81943	0.1
89.02382	0.1
93.03474	0.5
98.20095	0.3
108.02208	0.1
121.02958	100.0
122.03283	2.3
122.07600	0.1
123.04536	0.2
125.02461	0.7
134.46280	0.1
137.02399	0.1
147.04515	0.6
151.04062	0.3
171.10219	0.2
225.66386	0.2
229.12347	0.1
245.08182	0.2
289.07205	0.4
295.09637	0.1
379.78607	0.1
443.24258	0.3
529.26025	0.8
547.26996	33.0
548.27338	4.2
565.28101	2.3
566.28387	0.3
589.27899	0.7
590.39215	0.4
607.29065	3.3
608.29401	0.6
610.08734	0.1
621.22864	0.2
649.30231	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13316	0.4
55.84032	0.4
59.01379	50.5
60.01715	0.5
61.98829	28.8
69.03445	0.6
71.01376	1.1
71.52499	0.4
75.41591	0.5
78.95874	0.4
82.01456	0.5
83.05015	0.7
85.02972	1.2
87.04514	1.3
88.35993	0.5
99.04506	3.3
103.05532	1.6
119.05018	1.5
121.02968	3.7
135.04457	0.7
145.06615	0.8
147.04520	100.0
148.04865	3.4
185.66283	0.6
300.88123	0.5
405.93796	0.5
415.25073	1.4
459.23880	0.6
473.25650	0.6
527.27869	0.7
545.20483	1.0
545.29083	24.7
546.29163	3.0
563.30011	2.6
569.23846	2.4
617.27521	1.7
649.30304	28.3
650.30640	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	649.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	80.7
61.45488	3.2
61.98832	100.0
63.99273	4.9
66.57051	3.4
69.16591	37.4
98.19881	8.6
99.04551	21.0
121.02959	53.9
124.74395	3.6
147.04544	24.6
148.04848	7.0
227.10796	4.1
229.31743	3.9
354.46872	3.7
501.23825	8.6
531.23651	23.7
571.28735	27.7
573.24951	6.7
599.28973	4.9
613.30261	64.5
613.39886	6.8
614.30383	9.8
617.26984	6.1
631.28619	4.8
649.29413	26.9
650.29181	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	649.2872
Annotation	Excavatolide U
Peak:m/z	Relative Intensity
55.01869	1.0
59.01381	13.2
61.98821	2.4
69.24780	0.5
69.34430	2.6
69.34847	1.6
71.01382	0.9
75.00848	0.6
79.05540	0.7
83.05030	1.0
85.02951	19.8
87.00879	3.7
89.74536	0.5
99.04507	0.9
109.02983	0.6
111.04574	1.0
115.00354	2.4
118.27001	0.5
121.02930	1.8
133.10202	0.6
137.71538	0.4
147.04529	4.4
147.08156	1.9
159.08112	0.6
173.09657	1.1
175.11188	0.7
189.09363	0.6
201.12843	1.9
249.18678	0.5
295.15436	0.8
369.49359	0.5
415.24881	5.5
441.22858	4.4
459.23822	5.4
483.23849	1.3
527.19208	0.6
556.64240	0.6
573.24786	0.6
589.26556	0.9
607.18323	0.9
607.27551	12.2
607.37250	0.8
608.28082	1.2
613.26758	0.8
649.28564	100.0
650.28772	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	649.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37264	1.3
59.01384	14.5
61.98829	41.8
69.20650	10.6
73.02958	1.3
101.02461	1.4
108.40301	1.5
108.77956	1.3
110.03953	1.2
119.05090	1.3
121.02958	100.0
122.03285	2.9
147.04504	14.9
148.04878	2.6
166.41675	1.3
230.82578	1.3
460.23022	1.5
485.21780	3.4
504.74106	1.4
607.25702	3.6
649.26379	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	649.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.8
56.40957	0.8
58.00563	0.9
59.01379	20.4
61.98830	57.3
68.99775	1.3
70.95618	0.7
71.01360	3.7
72.99266	1.2
73.02917	1.7
74.74791	0.8
75.00858	1.0
79.05505	2.6
81.03434	2.2
83.05000	3.4
85.02936	2.2
88.98777	1.2
93.03460	1.1
95.04999	1.2
96.99261	0.9
97.06557	1.8
99.00848	1.6
99.04518	15.2
101.03941	2.0
101.06067	4.6
103.05490	1.0
105.01958	1.2
105.07047	2.1
107.04993	2.4
109.02986	1.0
109.06569	1.9
111.04460	2.3
117.03424	2.8
119.05044	5.5
121.02961	24.9
121.06551	1.9
123.04458	2.1
125.06100	1.8
127.03962	3.8
131.04987	2.3
133.06602	7.7
133.10210	5.2
135.04526	4.7
135.08130	1.1
137.06062	1.0
141.05560	1.1
145.02946	6.1
145.06525	1.8
147.04520	100.0
147.08073	2.0
148.04820	3.0
149.06029	2.2
151.07619	1.4
152.99557	1.1
157.06468	0.9
159.08087	3.4
161.04491	1.3
161.06001	2.7
161.09615	2.5
163.03952	2.8
163.07565	1.9
167.07161	3.9
171.08081	0.9
173.05957	1.5
173.09644	2.3
175.07515	1.0
177.05582	5.1
177.09154	1.3
185.06047	1.6
187.11147	1.4
188.08360	1.2
189.09119	2.5
191.07071	1.4
191.10736	1.5
199.07710	1.0
213.09126	2.8
229.08617	1.1
241.15706	0.8
281.18878	1.1
325.14285	1.1
341.13635	1.5
357.12469	0.9
357.16876	1.9
373.19916	2.1
425.19397	3.8
427.21063	1.8
439.20755	1.1
455.24054	3.4
457.22086	1.0
503.22681	1.4
531.23608	1.5
535.25500	35.2
536.25348	2.5
545.25409	2.0
567.27594	2.4
573.24829	9.6
574.24921	1.8
605.27234	7.2
606.27362	1.3
607.25549	2.2
615.27777	1.0
617.30072	30.7
618.30975	4.1
649.26270	54.3
650.26703	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	649.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25588	0.5
59.01377	22.7
61.93732	0.6
61.98830	29.9
69.03461	0.8
71.01378	1.8
73.02960	1.6
75.57208	0.6
83.05047	0.7
85.02950	1.2
88.97929	0.5
88.98827	1.7
93.03484	0.6
97.06589	0.6
99.00880	1.6
99.04536	2.4
101.06087	1.0
105.07069	1.0
107.05012	0.9
108.30278	0.6
109.90290	0.6
111.04504	0.8
119.05030	2.6
121.02955	100.0
122.03319	2.2
131.04980	1.3
133.06592	7.9
135.04530	3.4
135.92456	0.6
140.50124	0.6
145.02960	8.0
145.06606	0.7
147.04494	9.1
147.08197	0.6
149.06113	1.1
159.08157	1.3
160.01576	1.1
161.06096	0.7
161.09775	0.7
169.06473	0.6
171.08174	0.8
173.09741	1.1
175.03998	1.7
177.05469	0.7
185.09787	1.0
187.07622	0.8
187.11398	0.9
199.07672	1.0
213.09190	2.7
265.58408	0.7
311.13098	0.8
335.16553	1.2
353.17126	1.0
361.17889	0.6
385.20099	0.7
409.20126	1.0
427.21219	22.0
428.21548	2.0
445.22055	1.8
469.21762	0.8
487.24237	1.3
503.24084	1.0
513.22638	2.0
519.27753	1.9
531.23846	13.5
532.23889	1.3
545.25330	0.8
565.24432	0.9
573.24945	19.3
574.25476	2.8
575.26135	1.4
605.27533	33.9
606.28497	3.8
607.25171	3.2
617.27509	5.4
618.28131	0.7
621.27167	1.3
649.26514	54.2
650.27020	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	649.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
59.01376	5.3
61.98838	5.9
64.55122	0.8
68.70766	0.6
69.03488	0.7
71.00385	1.8
71.01385	2.2
73.02970	0.8
80.95392	0.7
81.03466	3.4
83.05034	5.7
84.02139	0.7
85.02950	1.7
92.32032	0.7
93.03481	1.1
97.02915	0.8
97.06609	0.8
99.04505	6.0
103.05502	3.9
105.07119	0.9
107.05029	3.5
109.02964	2.1
109.06598	3.1
111.04537	2.0
115.05536	1.2
116.32588	0.7
119.05026	1.9
121.03000	5.3
121.06625	2.1
125.06115	0.9
127.04044	3.2
129.83963	0.8
131.05031	2.4
133.06602	5.9
135.04521	3.8
135.08183	2.4
141.05573	0.7
141.07126	3.3
143.05058	1.1
145.06592	1.5
147.04523	100.0
148.04800	3.5
149.06149	1.3
157.06604	1.9
159.08134	2.0
161.06090	3.8
161.09746	3.2
163.07635	1.8
167.07118	5.7
173.06110	0.9
173.09782	1.6
177.94980	0.8
184.05307	4.7
185.06003	1.3
185.09758	1.1
187.07590	0.8
187.11328	0.9
189.09227	2.3
190.09637	0.7
193.08647	0.7
199.07709	1.0
213.09160	3.0
215.10747	1.2
247.13371	1.0
292.14368	0.7
297.14941	1.2
341.14160	0.8
397.20071	1.0
425.19534	3.4
443.20639	2.9
461.21872	1.5
469.51675	0.8
501.20822	1.2
529.26538	0.9
545.25488	1.1
555.24127	1.1
573.24969	12.0
574.25250	1.6
605.27448	9.1
617.23505	4.8
618.23590	0.9
649.26501	60.4
650.26855	9.2
653.49200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2652
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
53.60186	1.3
59.01382	41.5
61.98835	53.2
68.99816	1.5
69.03446	1.3
71.01360	4.6
71.53065	1.7
73.02931	1.7
76.80398	1.6
83.05012	4.5
88.98804	2.3
93.03446	1.6
98.00079	3.2
99.04537	8.7
101.02473	1.3
103.05595	1.6
105.07091	2.1
107.05011	2.8
111.04469	1.7
115.05521	2.6
119.04971	4.8
121.02961	100.0
122.03286	3.4
123.04527	1.7
127.03979	2.8
129.42882	1.3
131.05019	7.9
133.06599	31.2
135.04494	5.2
135.08134	1.6
145.02950	15.0
145.06606	2.5
147.04526	92.3
147.08160	1.7
148.04861	3.3
157.06584	2.3
159.08055	2.5
161.05988	2.9
161.09709	2.5
167.06970	2.7
171.08128	1.9
173.06026	2.3
173.09586	1.5
175.03912	1.6
175.07570	2.4
177.05571	64.3
187.11302	1.7
188.50679	1.8
189.09122	2.1
190.66925	1.4
191.07054	4.4
191.10748	1.4
198.06824	1.4
199.07564	2.0
199.11185	1.5
201.05547	1.9
201.09123	2.0
201.73990	1.5
203.07043	2.0
213.09244	2.5
219.06540	5.0
255.10243	1.5
335.12665	1.8
361.21689	1.6
365.17337	1.7
383.51703	1.5
425.19360	3.0
427.21088	4.6
503.23779	1.8
513.22668	2.0
531.23895	26.1
532.24133	2.0
545.25476	2.1
563.26501	3.7
573.25043	23.4
574.24683	2.4
589.24677	1.9
605.27588	26.8
606.27655	2.7
607.25073	2.1
617.23792	11.8
649.26453	83.3
650.26636	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	649.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68309	0.4
57.03440	0.7
59.01376	5.5
61.98831	11.4
69.03460	1.0
71.01382	2.2
73.02937	0.8
75.39479	0.4
81.03448	1.7
81.96329	0.4
83.05020	3.7
85.02962	1.5
87.04514	0.6
90.87240	0.4
93.03476	1.3
95.05009	1.1
97.02999	0.6
99.04531	5.3
101.02447	0.6
103.05537	2.9
105.07079	0.7
107.05020	3.1
109.02978	1.2
109.06607	2.3
111.04531	1.5
117.07070	1.2
119.04997	2.4
121.02973	1.0
121.06590	1.5
123.04509	0.6
125.06033	0.6
127.03994	2.7
131.05014	2.1
133.06587	6.0
135.04533	3.0
135.08159	1.5
137.06070	1.0
141.05595	1.0
145.06546	0.9
147.04520	100.0
148.04845	3.4
149.06100	0.8
151.04109	0.7
151.07671	1.6
151.77467	0.5
157.06592	0.8
158.07410	0.5
159.08148	1.3
161.06075	3.9
161.09662	2.4
163.07622	1.4
165.05743	0.6
167.07120	4.0
171.04533	1.0
171.08157	0.6
173.06061	1.2
173.09735	1.2
174.06825	0.7
175.07631	0.7
183.08186	0.5
185.06071	0.7
185.09767	0.6
187.07689	0.8
187.11293	1.6
188.08424	0.6
189.09207	1.7
191.07175	0.7
191.10744	0.6
193.08600	0.6
197.09810	0.7
198.06894	0.6
199.11125	0.5
211.11369	0.7
213.09177	2.5
215.10823	1.3
241.08432	0.6
241.12537	0.4
245.11826	1.1
247.13403	0.7
253.12277	0.9
295.12952	0.6
297.14920	0.8
325.14450	1.0
341.13803	1.6
357.17270	0.8
367.15353	0.6
373.16608	0.8
381.16913	0.9
397.20169	1.5
399.17773	0.9
407.18878	0.7
415.21362	0.9
425.19644	3.1
443.20590	2.2
457.22122	0.9
461.21805	1.3
501.21259	0.6
535.25610	0.6
545.25378	0.8
555.23749	1.1
569.24048	4.2
573.24872	6.6
574.25366	0.7
595.25458	0.5
605.27594	8.2
605.36548	0.7
606.27832	1.1
613.26178	1.6
617.23517	0.7
624.59900	0.4
649.26495	50.2
650.26642	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	649.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
57.03437	3.6
59.01111	1.2
59.01384	15.3
61.98828	15.5
69.03457	3.2
71.01385	5.8
71.05022	1.7
72.99325	1.2
73.02958	2.1
75.00874	1.1
79.05529	2.0
81.03454	9.1
82.01595	0.9
82.41914	0.8
83.05033	17.1
83.22446	0.8
84.02162	2.6
85.02950	5.8
87.00849	1.0
87.04511	1.5
88.98804	3.5
93.03481	2.7
95.05036	1.5
97.02948	3.4
97.06570	2.5
98.00098	2.2
98.03728	2.7
98.19856	2.0
99.00904	2.3
99.04521	17.6
101.02478	2.0
103.05539	2.4
103.38042	0.9
107.05024	9.5
109.02949	5.3
109.06595	12.7
111.04531	3.8
113.02448	1.5
115.05547	1.9
119.05037	3.3
121.02943	3.5
121.06584	3.2
123.04530	1.9
123.08171	1.0
125.06120	2.3
127.03982	4.3
129.07054	1.2
133.06587	3.6
133.10248	1.0
135.04521	9.1
135.08185	3.9
137.06114	2.5
141.05586	5.1
141.07108	15.3
143.05060	6.5
145.06595	1.8
147.04526	95.2
147.08118	1.8
148.04854	3.1
149.06114	1.4
151.07664	1.0
153.05638	1.8
155.07246	0.9
155.08627	5.1
156.05875	1.6
157.06578	7.4
159.04449	1.2
159.08165	4.3
161.06117	1.1
161.09772	1.6
163.07578	1.7
165.05571	1.2
167.07121	12.0
167.08473	1.5
169.06548	1.5
171.04614	1.1
171.08177	1.5
173.06177	1.1
173.09723	1.5
175.07578	1.7
184.05292	27.0
185.06030	7.1
185.09683	1.4
187.07684	1.4
189.09190	2.0
197.06113	1.1
203.06943	1.1
209.09724	1.6
218.11076	1.4
219.11942	1.0
235.11349	1.7
247.14870	2.0
253.12360	0.9
259.14926	1.1
263.14374	1.9
271.52835	1.0
273.16422	1.5
275.14526	1.9
291.13809	1.0
293.15622	1.0
299.14511	1.2
307.62576	0.9
317.15573	1.7
397.20328	1.3
425.19669	0.9
445.22314	1.5
459.21579	1.1
469.18811	1.5
483.25467	2.4
499.25458	1.0
501.20718	4.8
501.27444	2.7
516.07300	0.9
517.25916	2.5
519.23950	1.5
527.25031	1.1
529.26208	11.2
530.26056	1.2
543.27844	1.2
545.25409	8.2
546.25568	1.3
551.26587	1.5
555.24054	3.1
561.28699	2.2
573.24951	36.8
574.25146	4.2
586.28613	1.1
587.27197	1.6
605.26978	6.3
606.27795	1.4
613.26349	1.4
617.23944	15.0
618.24280	2.6
649.26550	100.0
650.26849	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	649.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95637	2.9
59.01381	49.1
61.98830	42.3
63.76323	2.1
67.01878	3.6
69.03448	4.3
69.17188	12.1
69.17621	10.6
71.01367	7.9
81.03444	3.7
82.26478	2.3
83.05025	9.6
85.02951	8.4
88.98721	3.2
93.03433	2.3
99.00898	4.0
99.04523	45.4
101.06092	3.6
109.02937	4.6
109.06582	3.4
109.59607	3.0
111.04546	4.3
119.05043	3.6
121.02933	14.4
121.06585	3.3
125.09631	4.1
127.04037	2.7
133.06578	3.5
135.08144	2.8
146.19519	2.4
147.04518	68.7
148.04880	4.1
159.08133	3.2
163.07651	2.4
167.07155	3.5
171.08104	7.5
183.88770	2.3
199.07687	4.7
200.08455	5.7
213.09187	4.6
215.10767	35.7
300.61487	2.6
301.74997	2.4
329.64807	2.5
365.17136	3.4
525.24939	6.6
569.27344	7.7
586.26587	3.7
605.27948	5.1
613.26465	100.0
614.27148	6.6
617.32233	2.8
618.26990	2.6
623.47424	3.0
649.26379	45.4
650.26385	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	649.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
59.01379	50.6
61.98834	18.1
69.30150	10.6
71.01362	4.2
81.03455	1.9
83.05035	2.8
85.02941	2.9
87.00871	1.8
87.04503	2.7
88.98794	4.3
97.17243	1.5
99.04518	37.2
101.02484	2.1
101.06084	2.5
111.04559	1.7
112.98548	1.3
113.02373	1.5
119.05068	1.6
121.02953	14.7
127.03994	2.7
133.06619	2.0
143.05190	1.1
147.04494	11.6
147.08276	1.4
159.08113	3.7
171.10268	4.4
173.09630	2.5
185.09558	1.7
209.11816	4.4
215.10620	1.3
401.23206	3.5
427.21021	4.1
473.28821	3.7
483.27316	1.9
501.24802	2.3
509.25577	12.1
527.26587	16.2
545.36865	3.4
551.26337	4.5
553.23859	3.6
569.27716	13.6
571.25458	9.0
573.25458	2.0
575.27911	1.8
595.25189	3.7
607.25629	1.9
613.26526	100.0
614.26843	11.9
617.24329	4.2
631.28363	2.7
649.26233	18.0
650.26074	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.7
59.01385	23.2
61.98818	1.2
64.16086	1.2
71.01370	4.7
72.99311	23.0
73.02946	3.1
75.00874	2.7
75.81117	1.2
78.04853	1.0
79.05528	1.0
81.03435	1.8
83.05015	1.6
85.02949	5.0
87.00879	10.7
87.04515	5.4
89.24926	1.2
97.02969	1.5
98.19878	2.6
99.00880	1.9
99.04531	11.3
101.02394	1.6
111.04506	4.4
113.02508	2.1
123.04499	1.2
125.09789	1.2
127.03988	1.2
135.08119	1.8
145.10249	1.5
152.04761	2.6
154.06468	1.2
155.03496	1.2
171.11800	1.5
190.68753	1.1
193.05064	1.5
198.91455	1.4
200.50075	1.2
201.12852	2.2
211.14911	1.5
249.16515	1.2
265.19659	2.5
266.19998	1.1
275.18039	1.4
305.22552	1.7
321.22189	2.0
349.21814	1.5
355.11960	1.7
367.11401	1.2
367.19003	2.9
367.23029	2.1
371.22202	1.8
382.21378	1.8
397.23953	10.7
438.57553	1.0
441.22821	29.6
442.23068	3.3
446.34634	1.2
485.21768	62.1
486.22067	5.8
501.24619	2.2
545.23859	100.0
546.24255	8.4
549.27032	2.4
563.31134	1.8
566.18817	1.4
575.47577	1.3
589.26379	9.1
591.28180	18.2
592.28455	1.8
605.25629	2.6
613.26416	1.4
619.27863	3.4
631.26892	2.3
649.28693	31.4
650.28528	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	649.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12362	1.1
57.03447	2.1
59.01379	19.8
61.98828	1.1
69.16341	7.0
69.16766	3.4
71.01376	4.0
72.73634	1.0
72.99306	21.9
73.02941	3.4
75.00869	3.4
81.03479	1.1
83.05029	2.0
85.02937	5.7
87.00876	9.9
87.04513	5.8
97.02937	1.2
99.04525	11.4
101.02450	1.1
109.02930	1.3
111.04518	3.9
111.43517	1.1
112.71088	1.0
113.02453	1.5
121.02923	1.3
123.04456	1.2
137.06070	1.1
140.71988	0.9
152.04707	1.6
154.06354	2.8
155.03535	1.6
171.11752	2.3
211.14861	3.0
265.19556	2.8
305.22635	1.3
349.20468	1.3
355.11603	1.4
367.18997	2.5
367.23050	2.1
371.22003	1.2
379.22849	1.9
397.23798	10.8
423.23663	1.2
430.36444	1.2
441.22797	25.4
441.28629	2.2
442.23169	3.0
485.21796	61.7
486.22183	6.0
501.24777	3.3
503.26416	1.2
545.23871	100.0
546.24261	10.1
549.27142	1.4
589.26440	8.6
591.28137	20.4
605.25769	2.4
619.27716	7.9
631.27380	2.9
649.28766	34.2
649.39380	1.9
650.29413	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	649.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36612	1.1
57.03442	2.2
59.01382	26.9
60.08472	1.2
61.98827	6.4
71.01383	9.7
71.54067	1.1
71.54500	2.3
73.02936	4.7
75.00870	9.6
85.02944	6.7
89.02429	3.6
96.96005	11.3
99.92545	1.4
101.02428	5.8
103.03995	2.9
113.02430	3.9
116.92866	1.5
119.03495	2.7
123.00893	3.0
126.58089	1.3
129.05591	1.8
133.01410	2.3
135.04517	2.7
136.01605	1.7
143.03520	1.4
147.04446	2.7
148.05299	3.8
151.03961	3.5
161.02426	5.0
161.04550	1.9
161.13318	2.8
163.59305	1.2
165.35277	1.2
168.00545	1.3
171.51353	1.4
182.02144	2.3
187.11258	5.5
191.03485	5.9
191.07175	6.2
192.04176	2.2
193.05066	6.3
197.04503	3.8
205.12241	2.5
206.05638	1.5
210.06815	1.6
220.03583	1.4
221.06181	1.6
235.06055	2.5
237.06104	12.8
237.09744	2.3
238.04652	2.7
250.06229	2.5
251.07079	1.4
253.04936	3.1
253.08589	2.2
254.05675	2.2
265.05011	2.8
265.09247	1.8
266.05740	1.6
267.02917	7.2
267.06485	2.3
269.08084	1.8
277.05051	1.8
278.05807	2.8
279.06570	6.2
280.07074	1.6
281.04501	5.9
281.08051	2.4
282.05283	6.8
285.07510	2.6
291.03027	1.3
292.07336	1.5
294.05191	4.0
295.05978	2.9
296.06854	5.6
297.07593	15.4
308.06879	4.0
309.04089	1.7
309.07574	5.2
311.09216	3.5
312.10095	7.2
313.07343	1.4
316.15860	1.3
322.04807	2.8
323.05533	2.8
324.06436	15.0
324.09998	2.2
325.03506	1.9
325.07190	3.0
327.12167	2.9
336.06204	3.8
337.07114	16.1
338.04211	1.7
338.07825	4.0
339.08691	19.0
340.05734	2.5
341.06540	6.8
351.08707	6.1
352.09271	6.3
353.06580	24.6
353.10251	2.5
355.08057	6.1
356.09076	17.8
357.09488	2.3
357.13507	3.7
368.08911	21.4
369.09210	1.8
370.10330	5.1
371.11325	82.7
372.11588	4.6
383.11328	100.0
384.11667	6.8
401.12393	62.8
402.12491	4.2
425.12296	2.5
425.17700	1.9
469.16089	3.1
469.20816	5.9
469.26468	1.5
526.70801	1.3
575.17706	2.9
592.96503	1.7
605.18750	17.7
605.31384	3.4
606.19318	2.7
649.22699	17.7
659.71991	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87514	1.6
58.44396	1.7
59.01382	36.9
61.98828	100.0
67.01884	2.7
71.01372	3.4
71.54313	2.3
81.03510	2.2
83.04987	4.4
85.02943	8.9
87.04507	2.6
88.98833	2.2
93.03435	1.7
98.20239	1.7
99.04522	32.9
101.02465	2.8
101.06075	6.5
107.05047	2.3
109.06604	2.3
111.04467	4.3
121.02917	6.3
121.06612	2.3
123.04499	2.0
125.06012	1.9
125.09710	1.9
127.04005	2.1
133.06567	4.8
135.04533	5.1
135.08194	1.7
147.04515	48.5
159.08081	4.0
161.06032	2.6
161.09645	2.9
167.07066	1.8
171.08101	3.8
175.07639	2.4
187.11243	3.0
189.09271	2.5
199.07613	3.3
200.08430	3.4
211.13258	2.3
215.10754	22.4
255.13928	2.1
258.59180	1.6
365.17319	2.0
397.20270	2.1
401.23163	5.1
425.19818	1.9
445.22256	7.6
446.22690	2.4
447.22949	1.9
487.23236	11.5
488.23477	2.5
489.21866	1.9
525.24744	3.9
535.25299	7.0
569.28259	12.7
573.23993	3.1
581.22949	2.1
605.27991	4.0
613.26453	73.3
613.36487	4.1
614.26672	7.4
617.29346	7.3
649.25818	27.2
650.26416	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	648.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.02430	0.1
61.98827	100.0
62.98521	0.1
80.91712	0.2
98.20670	0.3
100.68188	0.1
121.02944	0.4
132.99139	0.1
166.72478	0.1
178.21748	0.1
187.70810	0.2
266.86792	0.1
267.98956	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	648.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.0
61.98829	100.0
69.31439	0.1
70.05116	0.1
73.38796	0.1
79.35059	0.1
85.02946	1.1
86.03315	0.2
99.04556	0.3
103.05537	0.2
121.02959	0.4
147.04512	1.8
148.04863	0.5
197.67502	0.1
198.47372	0.1
528.27228	0.3
546.28235	0.2
588.27716	0.2
606.27350	0.6
634.92810	0.1
648.28833	2.0
649.28607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55233	0.8
57.03464	1.2
57.08969	1.0
58.78017	1.0
59.01380	13.0
61.98833	7.3
69.25624	8.7
71.01388	5.9
74.28306	0.8
78.32130	1.0
83.01410	1.5
84.57451	1.0
85.02946	5.0
87.00893	2.1
89.02446	2.5
94.03047	0.8
96.67303	0.9
96.96015	9.4
99.67413	1.1
101.02451	3.3
103.04034	1.5
113.02460	2.9
115.00358	1.4
116.92909	1.1
119.03493	0.9
119.05074	1.1
123.04502	0.9
134.03754	1.1
151.04019	2.3
160.01625	0.9
160.05220	1.1
161.02533	1.6
187.11382	1.3
193.05031	2.0
210.06883	2.6
213.67412	1.0
221.06099	1.1
226.06310	1.0
228.08733	0.9
237.05605	3.0
238.06329	3.2
243.40938	1.0
247.89053	0.9
249.05730	1.4
250.06404	4.8
251.07129	1.8
253.05093	2.1
253.08649	3.0
254.05748	2.4
263.06842	1.2
264.04251	1.6
266.05847	2.5
267.03018	3.1
267.06604	1.0
269.08212	1.4
278.05933	3.1
279.06607	5.5
280.07434	1.1
281.04547	2.7
281.08072	1.2
282.05313	7.9
292.07599	1.8
293.08212	1.3
294.05368	5.3
294.08936	1.6
295.06079	1.4
296.06903	1.2
297.07626	13.1
308.06543	1.7
309.04483	1.5
309.07663	7.3
310.04663	1.5
311.09280	1.4
312.09933	6.1
322.04871	5.5
323.05450	5.2
324.03030	1.2
324.06299	6.0
325.07257	1.9
326.04288	1.5
327.12262	2.9
336.06381	3.4
337.07175	26.5
338.04276	1.7
338.07852	6.6
339.08728	6.5
341.06631	8.1
351.08670	2.4
352.09427	10.6
353.06586	23.5
353.10297	3.8
355.08133	3.1
356.09012	12.5
368.08929	9.9
371.11343	61.0
372.11722	3.2
383.11346	100.0
384.11658	6.1
401.12439	5.6
575.17749	3.4
605.18555	1.1
605.30975	4.6
606.29517	1.1
631.25604	1.4
649.30560	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	648.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61999	0.6
59.01378	8.1
61.98829	100.0
70.33939	0.5
71.01387	0.7
71.53557	1.1
73.83460	0.6
81.71847	0.6
83.05006	0.7
85.02950	31.5
87.00892	0.6
87.04504	1.4
101.06084	3.0
112.13339	0.5
123.04556	1.4
124.55769	0.6
145.06573	0.7
147.04526	2.0
214.21045	0.6
327.37296	0.5
411.21793	0.5
413.23489	2.6
525.24890	4.7
526.24933	0.8
543.26044	14.1
544.26660	2.1
585.27014	79.8
586.27380	10.6
595.06183	0.6
648.27460	2.3
648.38434	2.8
649.26898	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	27.6
60.50956	1.2
61.98828	10.4
63.42653	1.2
71.01371	2.6
71.52270	1.2
73.02950	17.1
78.95882	2.1
83.05017	1.7
99.04518	53.1
118.26165	1.4
121.02992	2.0
141.00676	1.4
170.82657	1.2
192.53842	1.4
195.22321	1.4
201.69887	1.5
228.73349	1.6
390.35513	1.3
437.30457	1.9
451.32266	2.2
469.33109	3.6
481.33215	4.4
493.33099	2.3
499.34421	2.1
529.35309	100.0
530.35840	10.9
584.12115	1.5
587.39471	14.5
588.39337	1.9
674.82813	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.6
60.01697	0.3
61.01803	0.2
61.98829	100.0
62.98539	0.1
69.14596	1.0
69.14931	0.1
82.00211	0.1
98.20638	0.3
101.06059	0.1
117.97688	0.1
155.26927	0.1
180.83357	0.1
296.51007	0.1
300.25668	0.1
335.63165	0.1
437.24457	0.1
527.30579	0.1
592.93042	0.1
640.49988	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	647.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88542	0.2
56.54015	0.3
59.01377	100.0
60.01705	0.7
61.98828	21.8
62.99291	0.2
63.99254	0.9
68.72547	0.3
69.92863	0.2
71.53338	0.3
71.53764	0.4
75.00887	0.3
83.05043	0.4
91.74106	0.2
97.06590	0.3
99.00910	0.3
99.04530	0.9
101.06080	5.7
102.06446	1.1
103.06535	0.3
121.02988	1.6
145.06686	0.3
147.04541	2.9
194.13426	0.3
245.11800	0.5
475.19568	0.6
525.26117	0.3
531.23419	0.3
534.23767	0.3
615.26086	0.6
647.24792	3.5
648.25830	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53385	1.2
58.00578	1.2
59.01382	41.8
59.48357	1.2
61.98826	6.0
67.90428	1.1
71.01347	1.2
71.52719	1.7
77.85404	1.0
78.95907	2.3
86.02869	1.2
88.51097	1.1
89.94621	1.0
90.63815	1.1
91.84352	1.2
99.04514	10.0
140.95880	1.2
197.15112	1.2
214.49734	1.1
245.90051	1.3
277.21716	2.5
291.60373	1.2
293.21326	1.3
299.44815	1.5
331.56964	1.1
352.53143	1.3
374.40628	1.2
455.31525	1.6
469.33273	6.3
470.34027	1.2
481.33157	5.5
493.33505	2.3
499.34302	4.2
500.90817	1.3
511.34311	1.9
529.35309	100.0
530.35706	12.9
587.39685	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	647.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.8
59.01382	66.0
61.98830	27.8
62.56446	1.7
69.03431	2.5
71.01387	8.1
71.53281	2.5
71.53680	2.3
72.85414	1.5
73.02934	3.1
75.00870	3.3
77.22601	1.6
79.05527	2.2
83.01350	4.5
83.05019	2.3
84.02155	1.8
85.02946	6.7
88.98788	4.6
95.05029	1.5
97.03011	2.5
98.00099	4.3
99.00858	3.6
99.04519	100.0
100.04842	3.9
101.02475	3.0
101.06084	9.2
113.14111	1.5
115.92043	2.0
116.92822	3.6
119.05053	3.6
121.02930	3.1
121.06610	3.1
123.04547	2.2
123.80080	1.7
125.06049	1.9
133.06577	1.7
133.10219	2.0
135.04514	2.8
135.08174	2.0
139.07497	1.7
147.04506	19.4
147.08176	3.2
149.06062	3.4
151.07576	1.9
159.04482	1.8
160.05315	3.6
161.06082	2.7
161.09683	2.9
163.03986	2.0
165.75529	1.6
171.04469	2.4
173.09708	3.4
187.07509	2.0
187.11298	3.5
189.09230	2.7
195.06633	2.3
199.07637	2.4
201.09238	2.6
201.11308	2.6
209.11792	4.8
213.09201	1.6
215.10699	2.8
257.15408	1.7
267.13760	1.6
283.65897	1.8
295.15497	5.4
297.14859	2.3
337.17932	3.6
345.20581	3.0
409.20218	1.9
426.30701	1.9
427.24896	2.4
429.22891	4.0
455.20145	2.4
466.12173	1.7
471.23355	2.0
473.25543	3.1
489.24933	4.6
493.25940	2.2
509.25406	4.0
511.26907	10.6
515.26727	2.2
527.26569	2.4
529.27411	5.4
537.24878	23.5
555.26080	40.4
556.26221	6.6
573.27032	9.7
579.25836	8.6
587.28638	62.9
588.28632	6.0
597.26947	30.3
598.27277	3.5
605.28931	6.6
615.28119	67.5
616.27930	8.4
629.28320	3.4
647.30530	53.2
648.31055	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	647.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
58.00603	2.0
59.01378	45.9
61.98828	7.3
69.20680	9.5
71.01379	10.4
72.99295	1.6
73.02948	3.4
75.00865	2.2
77.28516	1.0
77.43410	1.1
79.05545	1.0
81.03441	1.5
83.01384	2.8
83.05022	6.7
84.02182	1.6
85.02952	10.7
87.00863	1.4
88.98804	1.0
89.02448	3.4
95.01390	1.2
95.05033	2.2
96.96016	3.1
97.02968	1.0
97.06592	1.9
98.20660	2.1
99.00873	2.1
99.04519	61.8
100.04845	1.6
101.02457	6.2
103.04037	2.2
106.06580	1.1
107.05022	2.4
111.04542	1.8
113.02470	2.5
114.95084	1.0
115.04041	1.6
119.03497	1.6
121.06588	1.7
123.04562	1.5
123.08147	1.0
124.01645	1.1
124.03979	1.5
125.02401	1.4
125.06026	1.5
125.09713	4.1
127.11268	3.7
133.06631	1.3
135.04494	2.2
135.08183	1.3
139.04056	1.3
143.03459	1.3
147.08147	2.8
149.06071	2.6
155.10866	1.0
159.04491	1.2
159.08145	1.2
160.05301	2.3
161.04546	2.7
161.05940	2.3
161.09697	1.4
163.07600	1.6
163.11244	3.1
165.09206	2.1
165.12807	1.5
170.36444	1.1
171.08211	1.7
171.10275	2.3
173.09702	1.3
185.09637	1.3
187.11288	2.5
189.09236	2.0
191.10861	1.4
196.06149	1.6
199.09682	2.1
201.11313	100.0
202.11633	2.2
209.11815	96.7
210.12193	3.5
213.09192	1.7
215.10750	1.9
227.12857	10.6
235.08266	4.8
239.13098	1.1
241.08517	1.5
247.11058	0.9
253.09276	18.4
279.13965	1.3
295.15540	2.9
345.20737	1.5
373.20624	1.2
375.21661	2.2
385.19952	1.2
391.21201	1.4
393.22189	1.0
401.23785	1.2
419.19537	1.3
429.22757	2.8
437.19858	4.7
445.20691	1.5
448.18600	1.7
455.20413	4.9
467.23206	2.1
473.25870	1.5
487.23843	1.0
489.25189	1.5
493.26111	1.9
509.25522	2.7
511.27158	7.0
513.24878	2.6
515.26086	1.7
527.26642	2.7
529.24408	1.6
531.25946	7.5
537.24945	15.3
545.29071	2.1
555.26038	14.7
557.24353	1.2
569.27557	9.1
573.27008	8.3
579.26117	8.9
580.26318	1.7
587.28809	17.9
588.29041	2.1
597.26978	29.1
598.27490	3.7
603.28760	1.5
605.30377	2.4
615.28070	63.2
616.28461	6.4
629.29529	4.0
647.30688	51.1
648.31238	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	647.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28236	0.5
57.03441	0.8
59.01379	21.7
61.98830	15.0
63.11594	0.5
65.06859	0.5
67.44062	0.5
71.01389	0.8
85.02975	3.8
85.03442	0.7
87.04528	0.6
99.04529	2.5
103.05535	2.6
119.05056	1.6
121.02956	2.0
145.06572	2.2
147.04521	84.1
148.04828	2.6
171.08165	0.7
185.09752	0.7
199.11230	1.6
220.54445	0.5
413.23184	5.7
469.50574	0.5
509.13818	0.7
527.26422	1.9
569.25323	0.8
587.25916	5.9
588.26532	0.9
605.27539	20.0
606.27673	3.5
647.28583	100.0
648.28949	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	647.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	51.2
60.01709	0.9
61.98837	9.3
69.03458	1.3
69.19040	1.8
69.19384	10.3
71.01386	10.1
72.99288	1.9
73.02941	4.1
75.00884	5.8
79.05524	1.4
83.01384	1.8
83.05016	3.1
85.02953	22.1
87.00861	3.5
89.02446	1.3
93.03458	1.3
97.02918	1.5
97.06602	1.1
99.00889	1.1
99.04519	100.0
100.04850	1.8
101.02421	2.9
107.05010	1.6
109.06599	1.3
111.04500	1.9
113.02380	1.0
115.00359	2.2
119.05010	1.5
123.04521	2.0
125.09736	1.1
133.06624	1.6
135.04517	2.8
137.06091	2.6
147.04433	1.3
147.08119	2.2
157.05038	1.3
159.08096	2.6
161.09767	1.3
173.09637	1.2
175.07596	2.8
177.09222	3.2
185.09766	1.1
189.09082	1.2
199.07582	2.7
200.08359	1.6
201.11259	3.0
209.11844	1.8
269.11926	1.3
272.11588	3.5
281.11667	1.3
309.74475	1.0
341.17505	2.3
353.17545	1.4
357.20685	2.2
365.17624	1.6
368.19147	1.2
371.18652	2.0
373.19971	3.0
395.18359	2.4
397.20081	4.2
413.19556	3.1
415.21024	3.9
431.20560	4.0
439.24985	2.3
443.20456	1.6
455.20612	5.5
457.22278	5.4
457.31564	1.1
473.21707	3.0
483.23581	1.8
495.24045	6.8
497.26031	15.9
498.25659	1.7
499.22971	2.9
513.24982	24.8
514.25006	1.9
515.26807	24.2
516.26721	2.4
527.26648	1.7
529.24109	1.4
531.25964	2.7
533.23773	2.1
537.24963	11.6
539.26764	7.2
543.25934	1.2
547.25250	1.3
553.24359	1.6
555.26025	41.2
556.26202	3.3
557.27863	33.1
558.27820	3.1
571.25275	2.5
573.26807	6.8
579.25708	4.2
585.27496	1.1
587.24530	7.1
597.27234	14.6
603.27521	1.8
605.28979	1.4
615.28033	21.0
616.28424	2.1
629.25964	19.1
630.26355	1.5
647.26941	18.4
648.27661	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52526	0.4
59.01378	100.0
60.01720	0.5
61.98830	22.4
62.42264	0.4
67.30159	0.4
69.41478	2.8
87.17502	0.4
99.04514	0.5
107.33820	0.4
112.33281	0.5
121.02955	2.4
147.04547	0.7
190.44470	0.4
545.25507	2.8
546.25842	0.6
647.21423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28236	0.5
57.03441	0.8
59.01379	21.7
61.98830	15.0
63.11594	0.5
65.06859	0.5
67.44062	0.5
71.01389	0.8
85.02975	3.8
85.03442	0.7
87.04528	0.6
99.04529	2.5
103.05535	2.6
119.05056	1.6
121.02956	2.0
145.06572	2.2
147.04521	84.1
148.04828	2.6
171.08165	0.7
185.09752	0.7
199.11230	1.6
220.54445	0.5
413.23184	5.7
469.50574	0.5
509.13818	0.7
527.26422	1.9
569.25323	0.8
587.25916	5.9
588.26532	0.9
605.27539	20.0
606.27673	3.5
647.28583	100.0
648.28949	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	647.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63649	0.6
54.55592	0.5
59.01381	25.1
61.98834	9.7
70.52762	1.9
72.99338	0.9
81.03466	0.6
83.05030	1.8
83.82671	0.7
85.02958	14.8
93.03464	0.6
96.94527	0.6
97.06588	0.8
99.00892	0.9
99.04510	3.6
101.02417	0.7
103.05544	2.4
111.04530	1.1
119.05016	2.4
119.05839	0.5
121.02961	2.0
121.06588	0.8
145.06580	1.7
147.04520	100.0
148.04863	2.7
149.06073	0.8
160.05284	0.9
161.06102	1.2
199.11304	1.8
215.10641	0.7
217.12340	0.8
243.10345	1.2
256.11148	0.7
274.10019	0.8
281.15527	0.9
413.23514	1.8
429.23178	1.4
439.21378	1.9
457.22119	0.8
459.24249	1.4
475.19833	1.4
483.27823	1.4
527.26294	3.6
545.27582	2.7
552.02094	0.8
587.26654	11.8
588.27283	2.0
605.27588	27.3
606.28156	2.8
615.26166	1.3
647.28619	95.7
648.28961	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	647.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65451	0.7
59.01382	29.6
61.98828	14.0
71.01360	1.0
71.53016	0.8
74.21120	0.7
81.03455	1.3
83.05032	2.2
85.02950	32.4
88.98814	0.9
93.03464	0.9
96.16740	0.7
97.18058	0.7
99.00885	0.8
99.04531	2.8
103.05562	2.6
111.04539	1.3
116.68140	0.7
119.05009	1.5
121.02983	2.9
145.06622	1.2
147.04520	88.4
148.04852	1.9
149.06100	0.8
160.05354	2.2
161.06160	1.0
171.39571	0.7
196.57329	0.7
199.11311	2.2
204.39352	0.8
215.10780	1.7
217.12471	0.8
243.10320	1.0
333.19086	0.7
413.23468	2.1
429.22998	2.0
459.24152	3.9
460.24753	0.9
475.19949	1.3
483.27423	4.8
491.99023	0.8
527.26349	9.7
528.26770	1.3
543.26978	0.9
545.27521	5.8
561.28503	1.7
569.26056	0.9
587.26996	14.7
588.27722	1.3
605.27557	28.6
606.27679	3.5
615.26044	2.3
616.27185	1.2
647.28613	100.0
648.28845	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	647.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.5
59.01382	64.7
61.98837	14.4
67.51302	1.3
69.03445	1.9
71.01385	11.8
72.33217	1.4
72.99286	5.1
73.02935	4.5
75.00877	13.4
75.06425	1.5
79.05484	3.2
81.03449	3.0
83.05017	7.5
85.02950	100.0
87.00858	3.9
87.04472	1.8
89.02425	2.1
93.03426	2.3
95.04990	2.3
97.02969	1.7
99.00865	2.4
99.03924	2.1
99.04522	34.2
101.02440	3.4
103.04022	1.7
107.05012	6.8
109.02931	3.5
109.06544	4.8
111.04497	12.2
111.83778	1.4
113.02529	1.5
113.06081	2.5
121.02880	2.6
121.06580	1.8
123.04530	1.6
125.06065	2.5
125.23363	1.6
127.03989	6.1
133.06613	2.7
135.04532	13.8
135.08115	2.9
137.06067	2.8
139.07678	1.9
141.05583	3.5
145.08507	1.4
147.04480	3.5
147.08105	3.0
149.06010	2.5
151.07588	2.3
157.06523	2.6
159.08092	5.3
163.07574	3.7
165.09084	2.1
167.07104	4.8
175.07579	2.7
177.05482	1.7
177.09163	2.2
187.07628	1.9
187.11189	1.9
189.09270	2.0
193.08687	2.6
199.07608	2.3
199.11276	3.2
213.09198	2.1
217.08626	3.1
225.09142	2.1
227.10777	2.2
231.10251	1.7
237.09360	1.4
241.12207	2.8
243.13852	2.0
247.09720	2.5
249.11302	2.5
255.10361	2.1
285.11429	1.6
287.12775	6.3
317.13818	2.5
333.98236	1.8
371.18591	2.1
383.18378	1.8
425.19846	1.8
429.18680	2.2
431.20676	2.2
445.17978	1.8
451.20844	1.9
457.22101	4.7
499.23105	3.4
501.21198	3.3
503.22781	3.5
511.23126	2.1
515.22754	4.6
529.24695	2.5
531.26056	3.2
545.23682	9.5
555.23041	2.5
557.23877	26.9
561.23651	2.7
571.25433	8.2
573.26691	4.5
587.24945	46.6
588.25049	5.9
589.26569	13.2
597.25641	2.8
603.27649	5.3
615.25201	9.1
617.26294	2.3
629.26154	13.8
630.25995	1.9
647.26947	71.0
648.27985	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	647.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
59.01381	12.9
60.01712	0.6
61.98830	4.6
69.03455	0.7
71.01379	2.5
71.52995	0.6
72.99284	0.5
73.02950	0.4
75.00867	0.9
79.86427	0.4
81.03487	0.7
83.05029	3.4
85.02953	2.9
87.04520	4.5
91.26803	0.4
93.03471	1.1
97.02953	2.7
99.00897	0.9
99.04501	3.5
100.04876	0.6
101.06081	100.0
102.06425	1.4
102.18307	0.4
107.05018	2.5
109.02943	1.0
109.06573	0.6
111.04523	15.4
119.03465	0.5
119.05030	0.6
121.02942	1.0
121.06587	1.1
123.04515	1.4
125.06163	0.4
129.56686	0.3
133.06642	3.0
135.04532	1.4
137.06093	1.9
147.04504	3.6
149.06096	2.4
151.07651	1.2
153.05592	1.0
159.08090	0.6
161.06041	0.7
163.07648	1.5
165.05574	1.8
169.65152	0.4
170.21281	0.4
171.08226	0.5
171.10185	0.4
173.05940	0.6
173.09671	0.5
175.07619	1.1
177.05544	0.4
178.06418	0.4
179.07137	3.2
187.07681	0.9
199.07632	0.6
201.09253	0.4
201.11200	0.4
209.11852	0.4
210.05464	0.5
213.09181	0.8
217.08615	0.6
219.06616	0.6
225.09048	0.5
229.08595	1.1
231.10135	2.0
241.08560	0.7
243.10190	1.9
245.08080	2.3
247.09756	0.8
249.11276	1.2
255.09961	0.5
261.11383	1.3
265.12204	0.7
283.13327	0.6
285.11218	0.4
311.12866	1.3
329.13901	5.4
331.15540	0.4
357.13358	0.5
358.14084	1.0
359.15939	0.4
369.16891	0.9
376.15152	0.5
377.16699	0.4
389.16406	0.4
393.16898	0.6
394.95633	0.4
395.18726	0.9
396.13007	0.4
405.17188	0.7
411.17850	0.8
415.17572	0.8
418.16217	4.5
419.17017	1.2
423.18250	0.9
429.18747	0.6
441.19180	7.2
445.21817	0.6
459.20236	1.8
483.20300	0.8
491.22357	0.5
499.20084	0.4
501.21381	1.5
502.23044	0.4
545.20282	1.3
555.26416	0.4
561.26630	0.5
571.28687	1.3
573.26483	0.7
583.25043	1.1
585.27100	2.1
587.28229	0.7
589.29865	0.5
603.27924	2.9
605.28711	0.7
615.27899	2.7
629.29468	0.5
647.27087	47.2
648.27557	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	646.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
59.46677	0.1
61.98829	100.0
75.00860	0.2
96.22858	0.1
147.04538	1.1
148.04887	0.2
337.66101	0.1
541.91742	0.1
647.29602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76696	0.6
53.58121	0.6
55.01885	0.6
57.03442	1.4
59.01377	5.0
61.00977	0.6
61.98821	2.1
68.99803	2.2
69.50864	3.2
71.01380	3.9
72.99310	2.9
73.02934	1.5
75.00877	3.1
75.02576	1.1
81.03489	0.6
83.01402	3.3
85.01013	2.3
85.02945	4.6
87.00869	1.8
88.98802	0.8
96.96001	1.1
96.99303	0.8
97.02954	1.0
98.00079	1.3
99.00890	4.4
99.02614	1.1
101.02462	2.9
103.00361	1.3
103.04028	1.4
109.02938	1.9
111.00858	1.6
112.98809	6.8
113.00518	1.0
113.02434	0.8
114.98462	1.1
115.00381	1.5
115.02049	1.4
117.01898	0.6
119.05029	2.6
120.99676	0.7
121.02922	1.6
123.00875	0.9
123.04547	0.9
124.98779	2.3
125.02407	2.1
127.00372	0.6
129.01941	7.7
133.02946	0.9
134.03691	1.5
135.04453	1.2
137.02388	2.1
142.99815	1.9
143.01576	1.1
145.00557	0.6
145.01437	5.9
147.03011	12.6
147.04385	0.8
147.82338	0.6
149.02432	1.9
149.06076	0.8
150.03256	1.2
151.04025	1.3
152.01129	1.3
153.05573	1.0
157.01385	2.9
161.02463	1.1
163.04015	4.8
164.04793	3.5
165.01970	1.0
165.05554	1.9
166.02637	1.6
167.03476	1.0
171.01028	4.1
173.00958	0.7
173.02803	0.6
174.01595	0.8
175.02553	0.8
175.03937	0.7
176.04716	1.0
177.01930	2.8
178.02637	0.6
178.06351	1.2
179.03470	2.4
179.07089	3.1
181.05017	2.1
187.02484	1.4
187.04033	0.7
187.30733	0.6
191.03574	3.2
191.07031	0.8
192.03969	0.9
193.05055	3.9
193.08620	0.7
195.06667	0.7
199.00404	0.9
202.02194	0.6
203.03464	0.9
205.05013	1.7
206.05905	0.7
209.08177	0.8
219.02985	2.9
221.08168	1.5
231.03055	3.3
232.03595	1.2
233.04616	1.2
233.08067	0.9
234.05334	3.9
235.06136	0.8
237.07790	1.0
242.99582	0.6
243.02849	1.0
245.04521	0.8
245.08080	0.8
246.05269	2.9
247.06096	2.1
248.06650	0.8
249.07611	4.3
258.05295	1.1
260.15582	0.5
261.07660	3.2
263.05792	8.9
263.08832	1.2
263.77448	0.6
264.06091	1.2
265.07059	0.9
273.07599	1.6
276.06519	2.8
277.07175	1.0
279.08737	0.6
289.07065	4.5
291.08710	9.2
292.08899	0.9
303.08707	1.2
309.06155	1.7
309.09784	2.2
317.08243	1.1
321.09726	1.4
335.09393	2.2
337.15161	0.7
555.15271	0.7
603.17401	2.6
615.14001	1.2
647.16394	100.0
648.16718	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	646.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
61.98832	100.0
70.74641	0.4
75.00860	0.3
93.81539	0.1
105.53158	0.2
138.62471	0.2
143.98566	0.1
146.35933	0.1
147.04541	1.6
148.04884	0.5
221.16524	0.2
270.33752	0.1
276.60712	0.1
287.59445	0.1
310.57150	0.2
336.34259	0.1
358.56323	0.1
605.28058	0.2
621.94427	0.2
647.28479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63260	0.1
58.98722	0.2
59.01381	0.2
61.98828	100.0
76.00127	0.2
93.21272	0.2
98.20074	0.8
98.20764	0.3
99.04541	0.2
105.87736	0.2
162.17838	0.2
204.23215	0.2
229.15747	0.2
256.59552	0.2
387.85107	0.2
543.29028	0.3
544.29504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
61.98829	100.0
69.22028	0.9
95.42579	0.1
95.52693	0.1
98.20276	0.5
119.82317	0.1
205.36818	0.1
278.20587	0.1
535.94763	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	646.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
59.05958	0.1
61.98830	100.0
62.98533	0.2
65.87632	0.1
70.26811	0.2
84.34688	0.1
98.20551	0.2
101.06100	0.2
107.54322	0.1
121.02966	0.7
147.04553	0.1
218.41017	0.1
473.07037	0.1
527.04181	0.1
578.60608	0.1
646.31268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11359	0.1
59.01378	0.7
61.98829	100.0
62.98516	0.2
69.17548	0.6
69.17970	0.2
88.79169	0.1
98.19874	0.2
98.20602	0.3
101.06083	0.2
102.06413	0.1
106.12543	0.1
121.02972	0.4
122.03282	0.1
139.82323	0.1
147.04543	0.2
424.25839	0.1
480.11060	0.1
556.92871	0.1
646.31360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75777	0.2
59.01383	1.9
61.98817	0.9
72.99292	1.5
75.00871	100.0
76.01228	0.8
78.95908	0.4
84.30502	0.2
99.04548	0.6
102.09642	0.3
107.68971	0.2
108.86572	0.3
112.62711	0.2
142.25363	0.3
167.15691	0.3
168.91531	0.3
375.08453	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45636	0.6
59.01380	22.6
61.98830	100.0
62.86847	0.6
62.98527	1.2
69.37724	0.9
69.38129	3.6
79.05516	1.4
99.04532	1.6
99.73015	0.7
101.06082	44.3
121.02950	1.7
123.95367	0.7
147.04512	1.5
199.09718	0.9
209.11824	1.6
231.45554	0.7
268.02969	0.6
274.44220	0.6
302.74252	0.7
309.15005	2.0
349.35004	0.6
441.22894	1.1
543.29578	60.6
544.30109	6.3
558.07874	0.7
585.30573	4.5
604.42010	0.7
645.27209	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13250	0.7
58.33477	0.8
59.01381	100.0
60.01719	1.5
61.98832	23.0
71.01412	1.4
75.00867	3.7
81.03448	0.9
83.05041	1.8
85.02949	2.8
97.06614	1.1
99.04521	87.8
100.04865	1.6
101.06091	6.4
102.06425	1.2
107.05042	0.9
121.02943	1.9
125.06083	1.2
147.04527	3.3
171.10146	1.2
175.10896	0.8
177.55951	0.9
187.22845	0.9
209.11766	2.1
333.18256	0.9
359.20001	0.8
377.21118	1.7
425.23489	1.0
427.20895	1.4
443.24286	16.6
444.24545	1.2
461.25519	5.9
487.22302	1.0
509.25226	3.3
525.28601	34.3
526.28802	4.4
527.26935	1.0
543.29626	32.6
544.30475	4.2
553.24481	10.0
553.88660	0.9
554.24780	1.5
585.30835	23.6
586.30719	2.4
603.30951	3.3
611.10101	1.0
613.27087	1.8
645.28119	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	645.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09261	0.3
59.01381	100.0
60.01720	1.0
61.98832	5.8
75.00888	0.7
85.02961	0.8
99.04523	2.8
110.33241	0.2
117.17158	0.3
132.77621	0.2
147.04546	0.4
169.72929	0.3
189.08641	0.2
209.12064	0.3
229.02654	0.2
461.25598	0.5
525.29065	1.0
543.29724	1.1
583.29413	0.3
585.31189	0.5
588.94086	0.3
603.35614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.1
59.01381	82.5
60.01694	1.8
60.99310	2.1
61.98830	62.0
65.03957	4.1
67.01854	2.1
67.09180	1.6
69.03455	11.7
69.63397	6.0
71.01376	8.6
73.02934	1.8
79.24030	1.4
80.43628	1.6
81.03467	4.0
82.41069	1.6
83.01383	2.3
83.05025	18.8
85.02941	6.9
87.00835	3.4
87.04506	4.2
88.98803	12.0
93.03460	7.8
95.05040	3.3
97.06580	9.0
97.68481	1.6
99.00795	1.8
99.04522	100.0
101.02425	6.2
101.06059	3.3
107.05037	4.2
109.02992	3.0
109.06541	2.1
111.04509	5.9
114.47425	1.8
119.04996	1.7
121.06538	2.9
125.06090	8.7
127.04011	2.5
130.08704	2.7
133.06541	3.4
133.78506	1.8
139.11223	1.9
143.70644	1.7
145.06483	1.6
147.04524	20.6
147.08127	2.8
149.06039	2.7
150.06833	8.8
159.08084	1.8
161.06049	6.7
161.09709	2.8
163.11282	2.0
166.51955	1.9
169.05048	3.6
171.08066	1.9
171.11667	2.0
185.09645	2.1
187.11272	2.0
191.06905	1.8
194.05818	2.5
197.09700	5.3
197.11732	3.8
207.10205	2.2
209.11760	3.4
215.10600	5.4
229.12296	1.7
322.20279	3.1
335.16080	2.6
365.17627	3.1
370.56055	1.6
383.18344	2.7
401.19278	2.1
409.20062	5.4
417.22650	5.8
427.21344	11.0
429.18777	4.7
445.22342	9.1
457.22192	1.9
459.23981	2.8
471.20010	4.4
483.28336	2.1
485.26056	3.8
497.25491	2.8
499.27167	8.2
501.25043	2.6
509.25436	13.4
525.24634	2.7
527.26501	70.9
528.26868	11.4
535.23511	4.0
541.27948	5.2
543.25812	4.3
545.24231	3.1
551.26257	3.2
553.24585	20.9
554.24133	3.0
559.28345	3.5
567.25354	4.2
569.27472	53.7
570.27612	8.0
571.25378	4.3
585.26941	21.3
586.27338	4.5
595.25366	26.1
596.25824	5.0
601.31030	2.5
603.28320	2.7
609.27557	2.7
613.26434	34.7
614.26233	5.4
627.28064	15.7
645.28613	62.9
646.28955	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	645.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.0
58.60981	0.9
59.01383	25.4
61.98827	6.0
69.03468	1.4
71.01392	5.7
71.08992	0.9
72.99311	1.5
73.02952	1.0
75.02665	0.8
75.65414	0.9
79.05537	1.5
81.03464	3.6
83.05032	2.0
85.02950	9.9
86.27059	0.8
87.00899	1.3
93.03426	2.2
95.05028	1.2
96.96020	1.2
97.02908	1.1
97.06594	1.3
99.00916	0.9
99.04521	100.0
100.04858	2.2
107.05052	1.6
109.02977	5.9
109.06601	1.3
111.04513	2.0
121.02927	0.9
121.06547	1.9
125.06030	1.5
133.06583	4.4
133.10272	1.0
135.04526	2.5
135.08154	1.0
147.03029	1.1
147.04372	1.2
147.08153	1.9
149.06082	2.8
149.09697	0.9
152.04796	5.0
152.49303	0.8
157.10057	0.9
159.08167	1.9
161.09723	4.0
163.11243	1.6
171.08167	1.6
173.09715	2.7
177.09113	1.2
183.08076	0.9
185.09650	1.0
187.11263	5.5
189.12915	1.0
199.03976	0.9
199.07634	1.8
209.11778	1.1
212.49704	1.1
213.09256	1.9
213.12999	0.9
215.10780	2.2
254.13013	1.0
361.17682	1.2
391.20975	1.6
399.21671	1.4
401.23447	1.3
409.20074	2.1
417.22986	1.5
427.21255	12.5
429.19116	1.5
445.22418	4.8
455.24789	1.0
469.22040	6.0
473.25403	2.5
481.26001	2.1
483.27493	2.5
487.23349	2.7
491.24976	1.6
497.25327	1.2
499.27289	1.4
509.17706	1.4
509.25418	30.4
510.25980	3.8
511.23166	1.1
513.21307	3.1
517.27795	1.0
527.26532	39.9
528.27136	4.5
531.21747	1.3
543.26172	1.9
545.23547	1.7
551.26520	11.3
553.24420	3.5
569.27570	29.5
570.27734	4.6
571.25531	6.7
585.26941	1.9
595.25629	5.7
601.30762	1.1
613.26514	27.5
614.26636	4.0
627.27649	4.8
631.27380	3.7
645.29089	37.5
646.29187	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	645.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	16.4
61.98818	2.4
67.55535	0.9
69.03423	1.3
75.27572	1.0
78.23772	1.0
79.05518	1.4
83.05022	1.7
90.79056	1.0
95.00285	1.0
95.05048	1.6
97.02950	1.0
99.04516	72.2
100.04890	1.6
105.07063	1.2
107.05087	1.3
109.38772	1.0
116.03396	0.9
125.06031	1.0
133.06598	5.0
135.08176	1.5
147.08084	2.5
157.06534	1.1
159.08147	2.4
161.09662	1.8
169.10207	1.1
173.09676	3.8
185.09721	1.7
187.11255	3.3
189.09346	1.2
189.12756	2.1
199.07599	4.1
201.12871	1.4
205.42067	1.0
210.42876	1.0
212.08263	1.2
213.09157	2.5
215.10762	2.4
225.12733	1.1
227.10725	2.0
295.15454	4.5
309.18652	1.7
335.20166	2.0
365.17270	1.9
383.21994	1.6
401.23523	6.0
409.20297	2.2
427.21283	7.1
445.22034	1.9
473.25214	1.5
483.27567	6.8
499.27243	1.2
509.25476	30.1
510.25833	4.1
527.26501	47.8
528.26709	6.7
551.26392	14.0
552.26917	2.8
553.24060	1.8
569.27533	50.8
570.27863	8.3
571.25476	40.0
572.25690	6.1
585.26776	2.3
595.25372	5.2
613.26477	100.0
614.26959	15.2
631.27100	2.1
645.28876	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	645.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09729	0.7
55.01856	1.0
55.27328	0.6
57.03455	1.4
59.01381	39.4
61.98827	2.3
65.03960	3.3
67.01894	3.2
69.03453	15.4
70.63924	1.5
70.64285	1.3
71.01374	4.0
72.69223	0.7
73.02953	0.7
79.05511	1.6
81.03460	3.2
83.01388	1.7
83.05029	18.2
85.02950	3.9
89.72598	0.8
93.03467	11.3
95.01408	0.7
95.05046	4.1
96.53486	0.7
97.02940	1.0
97.06596	10.6
98.20125	0.9
98.20656	0.8
99.04520	100.0
100.04870	2.9
101.02430	1.3
101.06069	1.0
105.07059	1.1
107.05035	4.4
107.89288	0.8
109.02960	2.6
109.06580	2.2
111.04549	4.5
111.08128	0.7
113.06072	1.0
119.05040	0.9
119.08668	1.0
121.06590	3.0
123.04524	2.0
124.62229	0.7
125.06073	8.7
125.08265	0.7
127.04013	4.2
133.06589	3.2
134.03749	1.0
135.04530	3.1
135.08154	2.8
137.06108	1.3
139.03932	0.7
145.06659	0.9
147.04494	3.0
147.08186	2.3
149.06067	1.5
149.09718	0.7
150.06876	9.4
151.07661	1.5
161.06036	1.4
161.09727	1.6
163.07608	1.7
165.09209	1.2
169.05084	5.9
171.08113	0.8
173.09723	1.9
175.07603	2.0
175.11337	0.8
177.09265	1.1
178.06400	0.8
185.09753	1.1
187.07735	0.9
187.11279	2.9
189.09178	1.3
189.12811	0.8
191.10686	0.7
194.05800	2.6
199.07623	1.4
199.11623	0.9
199.13370	4.7
201.09157	1.3
201.12785	1.2
203.10764	1.2
205.12274	1.4
209.11792	5.8
211.11269	1.0
213.09262	1.8
213.12790	0.8
215.07236	0.7
217.08824	0.7
217.12387	1.4
225.12880	1.1
227.10808	1.1
229.12238	0.8
231.10226	1.3
243.13927	2.5
244.59947	0.7
253.12341	1.5
269.15219	0.8
279.13876	0.8
295.13272	1.7
309.17444	0.9
313.14407	2.3
325.18091	0.8
339.15854	0.8
339.19739	1.0
351.18417	1.2
355.19217	0.9
357.16714	1.0
365.17453	1.3
379.18866	1.0
385.20343	1.2
391.21466	1.0
399.21680	1.3
401.19507	2.7
401.23929	1.0
403.21252	1.3
409.20230	1.5
417.22995	6.2
427.21341	6.7
429.19128	7.5
433.21939	1.3
437.23428	0.9
443.20642	1.3
445.22244	14.9
446.22705	1.3
459.23767	1.2
461.21518	1.9
469.22156	2.0
471.20007	4.2
483.22662	1.4
483.27927	2.8
485.25537	5.3
486.25912	0.8
487.23349	3.4
499.26929	8.4
509.25443	12.0
510.25659	1.7
517.24512	1.0
523.26587	0.9
525.25311	0.9
527.26483	94.5
528.26935	12.6
541.28046	3.9
551.26520	6.9
559.29010	2.9
569.27527	68.6
570.27972	7.2
571.25726	1.5
581.23895	3.1
583.28961	2.7
585.27209	1.3
595.25189	5.1
596.26056	1.1
601.30713	1.3
613.26501	51.6
614.26746	8.1
627.28223	3.8
628.28345	1.0
645.29126	78.6
646.29388	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80635	0.7
59.01380	32.2
60.01717	1.1
61.98837	3.9
69.03459	1.0
71.01365	2.5
81.03465	1.4
83.05029	3.1
85.02978	1.1
95.05022	0.8
97.06581	1.0
98.19839	1.5
99.04517	21.2
101.06079	100.0
102.06424	2.3
103.97730	0.8
107.05043	2.1
109.02901	1.0
109.06580	1.7
111.04514	1.4
119.04998	0.8
121.02944	1.2
121.06548	1.1
127.03999	0.9
133.06602	5.4
135.04552	1.7
135.08177	1.5
141.05579	0.9
145.06581	0.8
147.04518	2.4
147.08127	0.9
149.06062	1.0
151.07657	1.0
157.06508	0.8
159.08151	2.1
161.06033	0.8
161.09685	2.1
167.07214	1.5
171.08136	1.3
173.09711	1.2
185.09756	0.9
187.11249	2.1
189.09193	1.9
193.08659	1.0
198.06776	0.9
199.07648	1.5
201.09166	1.2
201.12968	0.8
211.07530	1.1
213.09206	3.2
215.10744	3.4
215.91933	0.8
245.11720	3.4
256.14731	0.7
275.32529	0.7
275.43231	0.8
295.15509	1.2
323.12723	0.7
341.13928	1.2
381.16916	1.3
383.14865	0.8
401.23135	1.2
407.18692	1.9
409.20190	0.8
415.21112	0.8
425.19638	3.4
427.21152	1.8
439.21069	2.2
441.19232	2.1
443.20483	0.9
461.81754	0.9
467.20642	3.8
475.23346	1.1
485.21796	4.1
499.22858	1.3
509.25409	8.5
517.24127	3.4
525.25171	0.9
527.26379	14.5
528.26630	1.6
551.26544	3.8
559.28931	2.3
569.27551	12.4
570.27899	1.4
571.25372	8.9
572.26044	1.2
595.25690	0.9
601.29492	1.4
613.26453	24.1
614.26581	3.5
645.29053	34.0
646.29321	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	645.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75877	0.1
52.93095	0.1
58.75313	0.1
59.01379	100.0
60.01701	0.6
61.98830	2.6
69.96635	0.2
69.97044	0.3
98.20287	0.3
99.04546	0.3
141.05630	0.2
147.04555	0.3
160.86536	0.1
196.89275	0.1
251.72852	0.1
260.13910	0.1
287.17450	0.1
311.63428	0.1
355.86719	0.1
439.21362	0.2
480.38638	0.1
543.26312	0.3
582.28058	0.2
645.28156	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55519	0.3
57.03447	4.5
59.01369	0.7
62.14891	0.3
69.03439	0.9
69.23735	3.1
71.01403	0.3
77.59419	0.3
81.03441	0.7
83.05025	0.5
85.02950	1.1
86.02415	0.3
95.05029	0.9
96.96005	0.7
97.02953	0.7
97.06581	1.3
99.04511	1.0
99.08175	0.4
101.02438	0.7
109.06590	5.5
111.04529	1.2
112.05214	0.4
116.85143	0.3
119.05029	14.8
121.06615	0.7
122.03722	0.6
123.04585	0.6
123.08157	4.9
124.05294	7.0
124.08406	0.3
125.05993	0.5
129.09200	1.4
133.06587	0.6
135.04521	0.5
135.08124	0.8
136.05321	3.4
137.06065	0.4
139.07649	32.5
140.07983	0.6
147.02975	0.9
149.09729	0.8
151.07640	17.6
151.11288	1.5
153.09193	3.5
161.09708	2.6
163.04013	15.9
163.05415	0.6
163.07628	1.4
163.11295	0.6
164.04332	0.7
164.08368	0.5
165.05507	0.4
165.09187	1.1
169.08775	1.9
169.12379	0.6
175.07701	0.5
177.09212	0.7
179.10773	22.8
180.11052	0.5
181.12325	1.3
189.09209	1.2
191.10783	4.8
193.05042	1.0
197.11816	2.5
207.10236	1.1
209.11816	10.9
227.12886	9.4
228.13161	0.6
271.11859	100.0
272.12219	4.6
325.09369	2.4
392.92685	0.3
425.29636	0.4
546.80066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03445	1.5
59.01379	58.1
61.98828	2.0
71.01373	2.4
78.89755	0.7
79.05526	1.4
83.05032	2.1
85.02946	1.8
95.01404	1.0
97.02985	1.1
97.06571	1.5
98.00095	2.3
99.04523	36.7
100.04844	1.4
107.05033	2.7
109.06574	1.8
111.04520	1.2
119.05034	0.8
121.06577	1.2
123.04550	0.8
125.06052	1.0
127.04002	1.1
133.06613	2.0
134.20407	0.8
135.04509	2.2
147.04530	6.8
147.08144	1.1
151.07706	1.1
161.09793	1.2
173.09790	1.0
187.11342	1.7
189.09071	1.0
191.92876	0.8
197.09723	0.8
213.09357	1.3
214.10089	1.0
215.10799	1.6
227.10605	0.8
295.15585	2.6
309.18396	0.9
347.22253	2.1
373.20291	2.6
379.18967	1.1
383.22610	0.9
401.23499	2.3
427.21286	2.4
439.21274	2.3
455.24478	3.5
467.20633	1.7
473.25427	13.5
473.35342	0.9
474.26077	1.6
483.27301	1.7
485.22067	6.3
486.22409	1.8
487.22681	0.8
509.25623	7.1
515.26221	4.4
517.23950	1.2
527.24164	6.4
527.25690	6.7
551.26447	1.9
553.24365	2.5
559.28949	1.8
567.25427	1.0
569.27728	7.7
570.27637	1.5
571.25385	3.2
595.25812	3.8
601.28253	1.4
603.25513	2.7
613.26587	13.9
614.26678	2.1
627.28265	1.8
645.29132	100.0
646.29517	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	645.2554
Annotation	Riparianin
Peak:m/z	Relative Intensity
55.01882	0.4
55.69779	0.4
57.03439	1.2
59.01380	26.2
60.01707	0.5
61.98832	3.7
62.71087	0.4
69.03455	0.7
69.20075	2.3
69.20506	2.0
71.01379	3.4
71.05033	0.5
72.99303	0.5
73.02961	0.9
81.03465	1.0
83.05030	3.0
84.02188	0.8
85.02951	100.0
86.03277	1.5
87.04575	0.7
89.02464	1.0
94.17932	0.4
95.05050	1.1
99.00886	0.6
99.04516	8.4
101.02438	1.2
103.03968	0.5
105.07090	1.2
107.05019	2.2
109.02957	0.5
109.06561	1.6
111.04504	1.5
113.02449	0.7
119.03468	0.5
121.02952	1.1
121.06594	1.1
123.04539	0.5
125.06087	0.5
127.03993	1.4
133.06583	0.6
135.04535	3.0
135.08134	1.0
137.02472	0.6
137.09708	0.5
141.05588	1.2
143.08679	0.5
147.08115	0.5
149.06120	0.9
159.08125	0.8
161.09741	0.9
163.07652	2.2
163.11453	0.6
167.07146	2.7
171.10281	1.0
173.09703	1.0
175.07620	0.9
177.09123	0.7
185.09671	1.7
193.08603	1.0
199.09668	1.5
199.11363	0.6
201.11256	0.9
205.08667	1.8
207.10222	0.8
209.11765	1.9
215.10707	0.6
217.08632	0.6
225.11151	0.5
245.09369	0.5
262.59750	0.5
287.12772	0.8
292.76584	0.5
297.14905	0.5
303.13950	0.5
310.81256	0.6
413.19196	0.5
437.19635	1.1
455.20248	2.1
457.18835	0.7
464.80606	0.5
473.21646	0.9
473.28870	0.8
483.23682	1.7
515.22266	3.5
517.28094	0.9
525.25696	2.1
541.24823	0.5
551.22913	1.0
559.26013	0.7
569.23785	6.7
595.25079	1.3
601.26630	9.6
602.26721	1.1
605.90106	0.5
609.27881	0.7
613.26227	1.7
627.28204	1.5
645.25385	55.5
646.25763	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	644.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.99270	0.5
69.92865	0.5
69.93250	0.6
77.74616	0.2
78.95895	0.4
98.19968	0.4
152.99654	0.3
179.42058	0.3
192.53349	0.2
217.53123	0.2
254.38081	0.2
277.21902	1.0
284.27448	0.2
300.13617	0.3
451.78976	0.3
511.23120	0.3
530.23114	0.5
581.36755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.255
Annotation	Cineracipadesin E
Peak:m/z	Relative Intensity
57.03439	0.6
59.01379	100.0
60.01708	1.1
61.98838	2.8
69.03450	0.8
71.01390	2.0
81.03454	1.3
83.05022	4.3
85.02943	1.5
93.03556	0.6
95.05015	0.7
98.20722	0.8
99.04520	10.0
107.05017	1.8
109.06605	1.5
111.04512	1.6
121.06649	1.0
127.04017	1.3
133.06616	6.7
135.04552	4.4
135.08153	1.6
137.06044	0.8
141.05612	1.1
147.04541	4.7
147.08160	1.1
149.06114	0.8
151.07660	0.9
156.59029	0.6
159.08195	0.8
161.06100	0.7
161.09698	0.7
163.07619	1.6
167.07071	0.9
171.08134	1.0
173.09749	2.0
174.06776	0.6
175.07620	1.1
187.07668	0.6
187.11302	1.2
188.08356	1.0
189.09186	1.8
193.08710	1.0
198.06940	0.6
199.07619	1.2
200.08408	0.9
213.09041	2.8
215.10742	5.4
229.12178	0.7
245.11819	2.8
271.13412	1.3
287.12894	0.8
297.14835	1.2
325.14349	0.7
341.13882	1.6
379.19058	1.5
381.16974	1.5
383.14487	0.7
389.17352	0.6
407.18558	7.3
415.21298	0.7
421.20224	1.2
425.19760	4.1
426.19986	0.8
439.21268	7.2
441.18890	1.3
443.20438	3.4
444.20425	0.7
457.22522	0.9
461.25198	0.7
467.20737	13.3
468.21298	0.9
475.23126	1.2
483.19983	0.9
485.21783	10.8
486.22061	0.7
499.23297	6.1
500.22913	0.6
503.22733	1.2
509.21988	2.9
510.21893	0.8
517.24280	6.2
525.28442	1.9
527.22882	11.2
528.23090	1.3
541.24011	1.0
543.29608	2.3
559.25488	12.2
560.26019	1.4
569.24103	4.3
585.30914	0.8
601.26593	4.6
603.24292	2.4
613.22980	2.3
617.25275	0.8
645.25537	31.1
646.25378	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	644.329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
61.98830	100.0
62.98540	0.2
71.52939	0.1
71.53413	0.2
78.95914	0.4
85.02927	0.2
99.86786	0.1
147.18384	0.2
214.51187	0.1
277.21884	0.2
278.22144	0.3
279.22574	0.2
353.13190	0.1
456.96902	0.2
570.14850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26225	0.4
51.42215	0.4
57.03448	3.7
59.01380	12.1
61.98829	6.2
69.45634	3.2
70.11366	0.4
71.01383	5.8
71.05036	2.1
72.99297	0.7
73.02958	0.9
83.01363	0.6
85.02948	13.2
86.02477	0.6
87.00838	0.5
89.02434	1.4
97.06573	0.8
99.04517	11.0
101.02458	2.1
101.06087	1.5
103.04008	22.6
111.08117	0.9
113.02444	1.4
115.07638	3.1
121.02948	1.2
123.38619	0.4
127.11277	4.5
133.06590	0.5
139.11293	11.2
145.05042	0.5
147.04523	0.9
151.11266	1.1
153.12814	0.6
154.75764	0.4
156.10280	0.5
158.11902	0.6
159.08083	0.7
169.12340	15.4
173.09752	0.7
181.12350	1.5
182.15469	1.2
183.10254	5.6
187.11247	1.0
189.12784	0.5
197.11754	1.1
201.11270	5.4
212.16519	1.3
213.09219	0.4
215.12846	7.1
217.08768	0.4
224.16467	1.0
225.11304	6.0
226.11458	0.4
226.14442	1.6
228.16093	0.7
237.18552	0.8
238.14407	0.6
240.16116	0.5
243.12294	0.5
244.15460	6.7
247.08313	0.6
255.19638	0.8
258.17050	2.3
265.09216	3.8
268.15540	2.1
268.60175	0.5
281.17682	0.5
295.15594	0.9
298.20288	1.3
377.47449	0.4
378.26547	0.7
396.27209	2.1
401.23068	0.8
427.20947	0.8
431.19150	1.6
438.28574	1.2
483.27573	0.5
509.25546	3.9
527.26489	6.9
546.29297	1.0
551.26508	1.9
569.27490	6.2
571.25500	5.5
613.26489	15.4
644.36493	100.0
645.27911	1.8
645.37115	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	644.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.8
60.01709	0.6
61.01809	0.6
61.98829	100.0
64.53986	0.2
70.04739	0.2
71.61749	0.2
98.20147	1.0
101.06105	0.7
155.03632	0.2
418.65909	0.2
440.63049	0.2
542.27692	0.2
645.29456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20604	0.1
54.11655	0.1
59.01373	1.0
61.98829	100.0
62.98523	0.1
75.39085	0.1
81.95136	0.1
93.91146	0.1
99.04493	0.5
100.04863	0.2
142.67746	0.1
142.77431	0.1
184.61592	0.1
202.21416	0.1
504.53024	0.1
531.12524	0.1
542.28644	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	644.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.1
60.01725	2.1
61.01808	1.1
61.98830	100.0
70.70750	0.4
71.01380	0.4
71.53644	0.4
71.54016	0.5
72.83650	0.3
83.05038	0.3
85.02988	0.8
99.04534	1.8
101.02448	0.3
101.06091	0.4
102.12341	0.3
121.02958	0.5
126.48071	0.3
197.86543	0.4
209.11815	0.4
211.13438	0.6
214.76494	0.3
373.11194	0.4
389.71469	0.4
423.50803	0.4
425.57153	0.3
458.22937	0.5
460.23923	0.9
501.24225	1.4
502.24353	1.9
542.28619	0.4
603.82098	0.5
644.30322	1.0
645.26941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08885	0.2
59.01379	1.6
61.98829	100.0
62.51490	0.2
75.00881	0.5
98.20671	0.4
99.04529	0.6
101.06090	0.4
108.55267	0.2
116.92902	0.3
120.46652	0.2
121.02983	0.4
125.49755	0.2
126.76125	0.2
132.53348	0.2
248.59991	0.2
353.71158	0.2
585.30420	0.3
644.31598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66927	0.2
55.01863	0.3
59.01381	45.8
60.01719	0.3
61.98832	100.0
71.01395	2.5
72.99313	0.2
73.02952	1.2
79.98013	0.3
83.01389	0.5
83.05028	0.3
85.02950	1.5
89.02445	0.4
95.01376	0.3
99.00854	0.4
99.04532	2.6
101.02456	1.9
107.05049	0.2
109.06548	0.2
111.04521	0.4
113.02419	1.0
143.03534	0.2
161.04478	0.8
209.11734	0.5
272.11685	1.9
272.61481	0.4
302.12411	0.3
340.91089	0.2
495.29712	3.2
496.29703	0.5
537.30560	3.8
538.30560	0.5
540.26099	0.2
545.22906	0.5
563.23993	0.3
571.24414	0.2
584.27393	0.5
595.25079	0.5
613.25366	0.6
627.27393	0.5
644.30707	2.2
645.29364	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	643.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01711	0.7
61.98830	1.4
63.81097	0.2
71.01381	0.2
85.02947	0.3
86.43637	0.2
98.20664	0.4
99.04520	3.8
101.06083	4.0
121.02941	0.2
147.04567	0.3
157.78445	0.2
187.47145	0.2
197.11917	0.2
211.13409	0.2
215.10788	0.2
215.40831	0.2
245.11778	0.2
254.91205	0.2
323.70822	0.2
392.07901	0.2
405.21097	0.2
433.40808	0.2
459.24435	0.2
485.22305	0.6
541.28070	3.8
542.28668	0.5
559.29199	0.3
574.36426	0.2
583.29443	0.3
601.30072	2.1
602.30383	0.3
643.30511	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	644.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.7
60.01735	0.6
61.98831	100.0
66.10423	0.2
71.01395	0.4
72.15710	0.2
85.02982	0.6
99.04521	4.2
103.12215	0.2
121.02995	0.5
136.88332	0.2
145.06622	0.5
147.04538	1.8
197.11949	0.3
208.36926	0.2
211.13443	0.4
227.10712	0.3
255.66351	0.2
412.23825	0.2
413.23505	0.8
439.21597	0.3
459.24298	0.8
461.61993	0.2
521.25610	0.5
539.26440	5.8
539.34131	0.3
540.26849	0.7
542.28192	0.4
581.27539	18.1
582.27997	1.9
584.32025	0.9
585.31268	0.3
613.23627	0.3
644.28284	0.3
645.27252	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39301	0.2
51.93115	0.2
59.01378	100.0
60.01712	0.7
61.98828	2.0
68.79244	0.2
69.14560	0.6
69.14970	1.6
73.50232	0.2
85.02921	0.3
87.04514	16.9
88.04877	0.5
98.20174	1.1
99.04516	2.0
101.06101	0.8
103.31877	0.2
121.02919	0.2
126.40059	0.2
156.91396	0.2
164.43201	0.2
211.13657	0.3
221.86728	0.3
306.17825	0.2
372.16620	0.3
411.18048	0.4
421.54266	0.3
541.28009	3.2
542.29150	0.4
559.25928	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.9
59.01380	99.2
61.98832	13.0
67.07198	0.7
68.94660	0.9
71.00156	1.5
71.60731	0.8
72.32898	0.7
75.60414	0.8
83.05023	7.2
85.02959	1.7
95.05023	0.9
96.48470	0.8
97.06629	0.9
99.04520	100.0
100.04874	1.9
109.06553	0.8
113.06072	1.0
121.02976	4.0
278.56415	0.9
302.40649	0.9
321.15228	0.9
379.19351	0.9
397.20248	1.1
415.21228	1.6
439.21014	1.2
465.22479	1.2
471.28766	0.8
511.16138	2.4
537.29462	0.9
539.26477	20.3
540.26831	2.2
541.27954	9.7
561.25043	2.5
565.27997	5.3
570.17218	0.9
583.28192	4.2
643.20441	4.9
643.29639	1.3
644.20807	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27846	0.6
57.03428	0.7
59.01381	37.4
61.98831	13.7
68.03581	0.5
70.37153	2.3
83.05027	4.7
85.02960	1.3
95.05007	1.9
99.04520	5.3
101.06084	100.0
102.06417	1.2
109.02939	1.0
110.77868	0.6
111.01838	0.6
113.06082	2.0
121.02956	2.2
125.06101	0.8
127.04014	1.0
136.15871	0.6
138.76711	0.6
142.79558	0.6
145.06606	0.9
149.06046	0.6
154.50064	0.6
175.07695	0.7
192.97916	0.6
196.61163	0.7
197.11728	0.6
212.08430	2.7
213.14998	0.6
226.06342	0.8
227.10793	21.2
251.12819	1.1
293.11499	0.8
321.51071	0.7
337.14624	3.3
337.18219	0.7
351.16132	2.6
377.17514	2.1
391.19162	1.4
395.18613	6.1
403.19400	1.2
409.20114	8.2
409.25201	0.7
410.20523	1.1
416.51831	0.7
421.20483	0.8
437.19693	15.6
438.19998	1.5
463.21188	1.1
539.26526	21.0
540.26788	2.8
547.26703	0.9
565.28101	2.8
583.29089	3.8
632.94232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
58.87809	0.5
59.01382	6.3
61.98829	7.2
71.01379	2.2
72.99303	2.8
73.02953	0.9
75.00866	0.7
78.47863	0.5
78.95882	0.9
79.05537	2.5
81.55946	0.5
83.01386	0.8
83.05034	0.9
85.02942	1.9
87.00888	2.5
88.98804	0.8
89.02424	1.1
93.03474	0.9
95.05010	1.1
96.95995	1.2
99.04492	1.6
103.00319	1.2
107.05022	2.1
111.00866	0.7
113.02431	1.2
115.00387	0.8
119.05024	1.2
121.02962	57.8
121.06588	0.7
121.99076	0.6
122.03267	1.0
123.04527	1.2
123.08296	0.5
133.01425	2.3
133.10202	2.3
135.08148	0.8
145.02975	0.9
147.04442	0.6
159.08145	0.7
169.61948	0.6
197.11714	0.7
197.65968	0.5
199.07602	0.6
201.12889	0.8
209.11798	2.1
216.54272	0.5
227.68886	0.5
281.15286	1.0
283.17117	0.7
299.16449	1.1
307.16913	1.5
325.18024	2.0
345.14871	0.7
355.19162	0.7
373.20212	16.1
374.20358	0.9
459.21490	1.9
477.22815	10.8
478.22928	1.2
535.22943	0.7
551.22797	1.7
583.25372	7.0
584.25708	0.6
593.24261	0.6
643.27539	100.0
644.27887	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	643.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
55.73866	0.6
57.03445	1.7
59.01381	69.1
61.98831	0.8
68.99831	1.3
69.03453	1.6
70.09778	0.7
71.01379	3.8
71.05026	0.8
73.02952	1.9
73.54304	0.6
79.05530	1.0
81.03455	3.2
83.05026	6.4
85.02964	4.0
93.03497	1.3
95.05022	1.9
97.02921	0.8
97.06580	0.9
98.03809	0.6
99.04520	100.0
100.04830	1.1
101.02432	2.1
105.07099	2.3
107.05035	6.8
109.02953	1.9
109.06592	5.2
111.04512	4.1
113.06100	1.1
120.79719	0.6
121.02898	0.7
121.06590	1.9
123.04524	1.8
125.06073	1.4
127.04017	4.4
131.05032	1.4
133.06610	15.1
135.04532	7.1
135.08141	1.5
137.06073	1.4
139.07634	1.4
141.05606	4.4
143.04973	0.8
144.05836	0.6
145.06580	1.0
147.08145	1.4
149.06050	2.4
149.61417	0.6
151.03995	2.5
151.07648	2.0
153.05672	0.8
155.72629	0.8
157.06548	1.5
159.08192	3.1
161.06039	3.2
161.09706	3.4
163.07668	2.8
164.22575	0.6
165.09235	0.8
167.07161	3.8
169.05087	0.9
169.10237	1.3
170.07320	1.6
171.08136	6.6
171.66728	0.7
173.09653	2.7
173.35506	0.6
174.06862	1.2
175.07617	2.2
175.11266	0.9
183.08107	1.1
183.72484	0.6
185.09750	3.0
186.10408	0.7
187.07632	2.2
187.11282	4.3
188.08426	1.9
189.09161	4.8
191.07083	1.3
193.08669	1.8
197.09863	1.0
197.11807	5.8
198.06839	2.4
199.07481	1.5
199.11259	1.1
200.08405	5.6
201.09164	1.6
203.10747	0.8
209.08022	0.8
209.09947	0.8
209.11783	3.3
211.07666	0.8
211.11226	1.0
213.09233	10.5
215.10757	25.9
216.11180	1.3
223.11140	1.0
225.09177	0.6
230.09500	3.3
231.10342	0.9
238.09903	0.9
241.08684	0.8
245.11830	20.2
246.12173	1.7
252.11473	0.7
253.12343	2.1
255.13939	0.8
267.14197	1.1
271.13318	1.9
295.13428	1.1
297.14899	1.9
299.12793	0.7
305.11758	1.0
311.16452	0.7
313.14685	0.6
321.14758	1.0
325.14536	1.4
337.18207	0.8
341.13919	1.8
357.16992	1.0
361.18228	1.1
367.19180	1.7
379.19086	7.6
381.16772	3.8
383.14944	0.8
389.17551	1.3
395.18604	1.1
397.20020	1.5
399.17935	1.4
407.18542	4.3
413.19693	4.7
421.20065	0.7
425.19681	8.6
439.21246	12.0
440.21429	0.8
441.19250	7.7
443.20651	1.9
457.21735	0.9
467.20612	4.4
473.21771	2.7
481.22098	1.4
485.21805	40.1
486.22049	4.4
499.23297	2.2
503.22821	4.7
517.24799	3.2
523.23315	2.5
525.24847	4.8
526.25415	0.9
529.20795	1.6
549.25146	1.2
557.27478	10.3
557.35577	0.5
558.27802	0.9
561.23517	2.4
567.25897	7.3
599.28552	2.5
611.25140	1.9
643.27576	81.8
644.27948	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	643.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49142	0.9
51.87323	1.1
57.03440	2.3
59.01381	70.9
68.99818	1.6
69.03465	1.6
71.01378	4.3
73.02940	1.3
81.03436	3.7
83.05038	5.8
85.02950	4.1
85.23520	1.1
93.03457	1.3
95.05062	1.0
98.19918	1.9
99.04521	100.0
100.04880	1.4
101.02449	1.5
101.06062	1.7
105.07098	1.7
107.05010	6.1
107.58064	1.1
109.02961	1.9
109.06593	3.5
110.15132	1.0
110.81540	1.0
111.04516	4.8
111.49635	1.0
113.06115	1.2
121.06553	1.6
123.04530	1.8
125.06091	3.3
127.03995	4.1
133.06609	15.9
135.04549	8.2
135.08171	2.0
137.06087	1.6
141.05569	4.6
143.08582	1.3
145.06555	2.1
147.08125	1.4
149.06053	3.6
151.03972	1.4
157.06618	1.4
159.04578	1.3
159.08118	3.5
161.06053	3.0
161.09708	4.4
163.07675	3.0
167.07092	4.4
168.51523	1.1
170.07341	1.6
171.08163	5.4
173.09700	3.8
175.07619	1.8
185.09634	3.3
187.07635	2.1
187.11150	5.0
188.08492	2.9
189.09218	4.6
191.07158	2.1
193.08676	1.8
197.09654	1.9
198.06924	3.3
199.07605	2.6
200.08408	4.3
201.09145	1.9
205.08626	2.0
211.11130	1.2
213.09233	11.5
215.10760	32.3
225.09267	1.3
230.09450	3.5
231.09882	1.0
245.11818	23.3
252.11478	1.1
253.12386	2.6
271.13339	2.0
279.13812	1.9
295.13303	1.6
297.14969	1.9
341.13959	2.4
353.17471	1.2
367.18863	2.6
379.19238	8.9
381.17114	4.1
395.18625	2.1
407.18576	3.7
413.19467	5.5
415.21292	1.8
425.19943	6.5
439.21173	11.8
441.19226	7.5
443.21170	1.5
457.83575	1.2
467.20660	4.0
468.20975	1.3
473.21545	2.1
485.21747	35.8
486.22202	2.9
499.23584	1.5
503.22748	3.0
517.24207	2.9
523.23511	2.9
525.25031	4.3
557.27441	9.7
561.23340	1.6
567.26111	6.3
599.28839	2.1
611.24872	2.5
643.27545	78.8
644.28027	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	641.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
59.01107	0.5
59.01382	6.3
61.98832	5.3
65.02446	0.3
69.70573	0.3
69.73000	1.7
71.01385	3.6
73.02955	1.0
78.95937	0.4
83.05009	0.5
85.02952	1.4
89.02449	2.1
95.01392	0.3
96.68258	0.2
97.06609	1.5
98.19947	0.6
98.20542	0.7
99.04524	0.5
100.65530	0.3
101.02443	1.9
105.66483	0.3
111.04506	2.6
113.02457	1.8
119.03513	1.0
141.05565	0.5
152.99525	0.5
161.04544	1.3
225.25026	0.4
277.21719	100.0
278.22079	6.2
285.09879	0.4
291.23325	1.2
303.10785	1.8
319.22559	0.8
362.52945	0.3
539.24884	0.3
539.32428	0.3
563.32654	0.3
568.82843	0.3
639.22314	0.3
639.47070	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
61.98829	100.0
62.98546	0.2
70.08081	0.4
70.08469	0.3
75.50797	0.2
78.95916	1.0
110.20465	0.2
144.42886	0.2
152.99585	0.5
209.11909	0.4
209.98784	0.2
213.83743	0.2
277.21658	0.3
278.22183	0.3
282.49265	0.2
311.72241	0.2
385.40924	0.2
403.25049	0.2
453.05280	0.2
529.22162	0.3
530.23090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74284	0.7
53.00307	1.0
55.01878	2.1
57.03455	6.0
59.01378	7.8
61.78202	0.6
62.39429	0.7
67.01892	1.3
68.99832	1.4
69.03461	6.8
70.68887	0.6
71.01383	14.6
71.49203	0.7
71.51769	0.7
71.52114	1.0
71.80826	0.7
72.99321	1.6
73.02950	13.7
81.03471	1.4
83.01388	4.7
85.02953	50.8
87.00879	100.0
88.01225	1.9
95.01396	7.8
97.02956	28.1
98.03272	0.7
99.00895	1.0
99.04539	0.8
101.02477	1.9
103.04006	11.8
109.02957	2.5
111.00896	2.1
113.02454	42.1
115.00378	8.9
115.04003	3.6
117.81567	0.7
127.04032	1.7
129.01929	1.9
131.03555	0.9
139.00397	1.4
157.01427	10.4
173.04572	3.5
175.02472	68.2
176.02803	1.7
179.13431	0.7
217.03531	24.2
303.07208	34.2
304.07700	1.9
321.08252	15.1
322.08704	1.4
381.10477	1.0
437.09631	0.9
453.43744	0.9
479.10419	13.8
497.11176	2.0
539.12543	18.9
540.12451	1.6
625.16162	19.8
626.16510	2.4
643.17255	62.5
644.17981	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	643.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.7
61.98829	27.3
70.74345	1.0
71.01352	1.0
71.33899	1.0
71.53244	1.0
73.02945	1.1
83.05009	1.1
91.12243	0.9
99.04514	12.7
101.06085	4.9
101.73022	0.8
115.39801	1.0
176.83990	1.0
227.10814	1.1
395.44199	1.1
409.20374	1.2
452.11136	1.1
473.18353	1.5
481.11481	2.0
487.02164	1.0
495.16718	2.0
496.13727	6.1
507.16794	1.9
508.17258	3.1
510.14786	5.2
511.16080	9.3
513.17859	1.6
523.19977	2.2
538.15216	2.2
539.26746	2.5
544.19574	3.3
567.18976	1.3
571.18170	3.4
583.18396	1.4
643.20428	100.0
644.20764	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	643.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87726	0.8
57.03454	1.7
59.01380	100.0
62.41548	0.7
63.14056	0.7
68.99816	2.4
69.03458	0.8
71.01376	4.5
73.02942	1.0
78.30015	0.7
81.03486	1.0
83.05022	2.0
83.25504	0.7
85.02944	5.1
98.00093	1.7
99.04520	60.1
100.04876	1.0
101.02445	2.4
107.05038	4.8
109.03001	1.2
109.06607	4.5
111.04507	2.4
113.06117	0.9
121.06638	1.2
123.04527	1.4
127.03999	1.0
133.06619	3.2
135.04530	7.3
137.06113	2.2
141.05630	2.3
145.67473	0.8
147.08260	0.8
149.06032	0.9
151.03995	3.2
157.94359	0.9
163.07642	1.4
167.07124	2.4
173.09692	0.9
175.07639	1.1
187.11266	1.0
189.05420	1.0
189.09233	1.0
191.07112	1.3
200.08560	1.0
215.10626	1.6
245.11974	1.4
281.11728	0.8
297.15012	0.8
298.75250	0.9
335.16425	0.9
379.19189	2.6
395.18063	0.8
407.18573	1.3
413.19547	1.2
425.19598	5.4
439.21222	8.1
440.21359	1.2
441.19211	1.1
443.21411	1.1
467.20874	2.1
473.21768	2.2
485.21805	35.2
486.22180	4.6
503.22833	1.3
529.21149	4.1
543.22290	4.1
561.23273	5.8
567.25696	5.1
599.28027	1.2
611.25043	14.8
612.25360	1.8
643.27625	44.2
644.27649	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	641.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81195	0.7
59.01380	100.0
61.98830	8.4
68.99581	0.8
69.13928	8.5
71.01383	1.1
85.02949	2.8
97.06576	0.9
99.04518	37.8
112.98557	1.5
115.82824	1.0
121.02975	2.0
122.26553	0.9
145.06622	1.5
192.64488	1.0
202.08867	1.1
211.13393	4.4
257.19696	0.9
263.65768	1.1
290.53986	0.9
300.08075	1.0
382.97025	1.0
411.21915	1.1
439.21021	3.2
457.22296	6.1
477.26614	6.4
515.11041	1.0
521.25403	10.5
533.31744	0.9
539.26453	18.7
540.26788	1.9
566.77936	1.0
581.27435	3.2
641.29486	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	641.2965
Annotation	Amotsangin G
Peak:m/z	Relative Intensity
52.78534	0.7
59.01378	88.2
61.98818	2.5
69.03469	0.9
69.23978	3.5
69.24406	1.9
71.01379	1.2
79.70853	0.7
83.05012	3.1
85.02955	0.9
98.19850	1.2
99.04513	33.9
100.04896	0.8
101.06079	100.0
102.06410	1.5
109.06580	2.5
121.02988	0.9
145.06540	1.2
146.84061	0.6
152.94946	0.6
161.46591	0.9
162.07445	0.8
202.93704	0.7
209.11726	0.8
211.13403	6.4
237.89102	0.6
306.15109	0.8
344.05438	0.7
401.23398	1.4
427.21048	1.1
429.23047	5.7
437.19507	0.9
439.21194	1.6
457.22348	9.7
458.22675	1.2
497.21838	3.6
499.23395	2.7
511.26935	2.1
515.22809	11.8
521.25671	0.9
535.27325	0.7
539.26337	3.0
552.79199	0.8
553.28070	2.8
555.29651	1.1
557.23853	43.6
558.24274	4.5
581.27319	3.2
599.28571	1.3
641.29614	46.8
642.30023	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	641.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13606	0.4
59.01379	100.0
60.01707	0.7
61.98831	1.7
67.01919	0.5
69.03465	0.6
69.20506	3.5
69.20928	1.0
71.01390	0.5
75.28241	0.5
81.03452	0.6
83.05029	3.6
95.05006	0.9
97.02995	0.5
98.19865	0.9
99.04518	21.9
100.04861	0.5
107.05021	1.0
109.02961	1.4
111.04560	0.6
121.02967	1.0
123.04533	1.2
123.08169	1.0
125.06049	0.8
135.04480	2.1
135.08176	0.9
153.09187	0.8
163.07629	1.2
164.08507	0.6
181.08696	10.8
181.10283	0.6
183.13831	0.4
203.11029	0.5
207.10324	0.7
211.13403	8.6
227.10759	3.3
240.38428	0.4
337.14551	1.8
339.15854	2.3
363.16061	1.9
374.70538	0.5
375.19742	0.5
377.17548	1.8
395.18576	7.2
395.23230	0.8
396.19370	0.5
403.19034	1.4
421.20224	4.8
447.22675	0.5
457.22638	0.8
495.24304	1.3
521.25598	1.6
539.26508	21.5
540.27130	1.8
605.28180	1.0
641.29535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57162	0.3
59.01381	100.0
61.58869	0.3
67.87701	0.3
82.09772	0.3
99.04560	0.5
157.28957	0.3
204.27432	0.3
539.26477	4.1
539.33112	0.4
581.28278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01720	0.5
65.81625	0.3
68.58508	0.2
70.63444	0.8
74.96984	0.3
78.13084	0.3
91.93228	0.3
98.19981	0.3
99.04526	0.7
121.02991	1.0
132.85149	0.3
211.13387	0.6
419.46326	0.3
453.77228	0.3
481.75296	0.3
539.26459	4.3
540.27118	0.7
561.25464	0.3
581.27838	0.9
641.25714	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	29.6
61.98502	1.0
61.98828	19.9
71.01375	2.2
73.02929	0.7
79.95732	4.1
80.96520	3.2
83.01399	0.7
83.05036	1.2
84.51945	0.6
85.02950	4.1
87.04535	0.8
94.98060	1.2
96.96012	1.3
97.06616	1.3
98.20261	4.4
99.04516	94.0
100.04838	1.4
121.02974	1.3
125.06078	0.8
137.09669	0.6
145.06578	3.8
147.04564	1.0
152.98589	0.8
164.98610	0.8
171.08194	1.3
199.11299	2.0
209.11742	0.8
211.13416	5.6
222.30034	0.6
225.00746	1.5
254.87720	0.6
255.13783	0.8
281.15472	1.3
299.16580	0.7
321.18509	0.8
343.97025	0.6
351.19748	0.9
365.21298	0.9
369.20605	0.7
413.23322	14.7
414.23703	1.1
431.24503	4.2
439.21500	1.0
457.22391	4.7
471.15372	5.0
499.19058	0.8
515.30212	0.9
521.25616	0.8
527.18005	0.9
539.26410	10.9
540.27039	1.4
555.25800	3.8
557.27454	25.1
558.27985	2.0
559.28156	0.8
581.27551	2.6
599.28601	100.0
600.28961	11.5
609.27271	0.8
641.29761	70.9
642.30139	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	641.2966
Annotation	Amotsangin G
Peak:m/z	Relative Intensity
56.12034	0.4
57.03428	0.5
59.01381	24.3
61.98817	3.5
68.43180	0.4
69.08192	0.5
69.94590	1.9
71.01380	1.3
72.99323	0.5
73.02971	0.5
79.95728	2.4
80.96503	2.3
83.05034	1.5
94.98142	0.5
97.02950	0.8
97.06593	0.6
98.20116	1.0
98.20669	0.6
99.04519	85.2
100.04852	1.6
101.06109	0.5
107.05029	0.6
111.04494	0.6
116.45931	0.5
121.02952	1.2
125.06094	0.9
127.17686	0.6
136.05368	0.4
137.09726	0.5
145.06604	2.3
147.08170	1.2
160.05283	1.8
161.06068	1.1
171.08159	0.5
179.10672	0.5
187.11208	0.5
189.09180	0.4
195.47748	0.4
199.11311	2.2
201.12750	0.4
208.44926	0.4
211.13338	5.0
215.10823	0.7
217.12401	0.8
225.00723	1.0
225.09172	1.1
227.10799	0.7
237.12697	0.6
255.13741	0.8
269.09592	0.5
281.15500	0.8
295.15579	1.8
299.16556	0.7
347.20215	0.8
365.21442	0.6
413.23352	8.8
414.23691	1.0
429.22772	3.5
431.24396	2.0
439.21274	1.7
441.55164	0.4
457.22211	2.1
471.15250	3.6
495.27209	1.3
513.28412	1.7
521.25854	1.4
527.17657	0.6
539.26520	17.6
540.27094	1.8
549.27155	0.5
555.30212	0.5
557.27521	18.2
558.27869	2.0
599.28601	100.0
600.28827	11.9
641.29694	49.3
642.30084	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	641.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01712	0.6
61.28552	0.2
61.98827	2.0
63.64206	0.2
66.16943	0.2
67.30961	0.3
71.01381	0.7
76.64429	0.2
85.02930	1.7
96.58624	0.2
99.04520	2.0
121.02943	0.5
150.87981	0.3
150.96144	0.3
160.45482	0.3
183.13922	0.8
211.13373	16.3
212.13776	0.4
223.31619	0.3
253.09383	0.5
417.15549	0.3
435.20471	1.0
447.22452	0.8
457.22037	0.3
539.26813	0.7
557.27887	1.0
599.28680	2.1
600.29175	0.6
609.27417	0.4
646.27185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07826	1.0
51.09848	0.8
56.88614	0.9
58.34189	0.9
58.87973	0.8
59.01379	70.8
59.77890	0.8
61.98828	15.7
71.01382	3.9
78.95930	1.4
83.05017	1.9
85.02954	76.3
87.04501	1.3
88.26170	0.8
90.60593	1.0
96.96049	1.0
97.06584	1.4
99.04520	12.5
101.02504	1.1
105.07047	1.2
109.06592	1.1
112.35233	1.1
112.76617	1.0
121.02955	5.5
133.06548	1.4
139.04088	1.0
147.08133	1.3
159.08147	1.0
160.05417	0.9
161.06120	1.7
171.08153	1.2
173.09683	2.1
175.11369	1.0
187.11292	1.5
197.09682	1.8
200.08421	2.8
201.09290	1.5
209.11803	1.4
212.08430	1.2
213.09189	1.3
242.09578	1.2
253.88655	1.0
295.15591	1.6
318.15640	0.9
327.04141	0.9
365.17346	1.1
369.38867	1.1
409.20181	1.7
442.95255	1.1
457.22125	2.3
459.23834	2.8
469.26114	5.2
477.23053	1.2
495.23849	16.2
496.24100	1.0
501.25012	1.4
511.23776	1.3
513.24854	17.9
514.25305	1.2
521.25183	3.2
537.25262	10.1
538.25323	1.2
539.26477	34.5
540.26715	2.4
555.25940	100.0
556.26312	11.8
579.26044	8.3
581.27466	8.0
597.26898	21.1
598.27203	2.7
599.27399	1.2
623.24634	5.6
641.27496	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	641.2965
Annotation	Amotsangin G
Peak:m/z	Relative Intensity
59.01379	67.8
61.98830	46.0
69.03461	3.2
69.35001	1.9
70.53387	1.8
70.53714	2.8
71.01373	6.8
78.95911	2.3
79.95724	2.7
80.96510	3.4
81.03443	2.4
83.05022	3.4
85.02919	9.8
95.01402	2.3
96.02174	3.1
97.02943	5.8
99.04518	62.2
100.04823	2.0
111.00906	2.5
121.02959	14.8
122.03703	1.8
123.04479	4.7
125.06035	2.5
128.01157	2.0
129.07069	2.6
135.04552	2.3
147.08176	3.8
159.08231	2.7
161.09718	2.3
163.07761	2.9
187.11201	1.7
211.13373	4.1
273.15015	3.7
293.30209	1.9
362.04547	1.9
365.21039	3.8
413.23297	21.8
431.24368	80.7
432.24774	7.6
438.03586	1.7
455.24478	11.8
457.22510	1.9
471.15302	4.3
473.25452	76.3
474.25693	8.1
495.27191	3.0
497.25644	12.3
499.26471	1.9
513.28613	33.3
514.28882	5.3
515.26459	5.8
517.24023	2.1
537.28790	18.9
538.29218	2.5
555.29779	11.4
568.74225	1.8
581.27838	5.9
597.30737	100.0
598.30652	13.8
599.28644	11.4
609.26672	7.8
641.29602	58.6
642.30170	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	641.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
58.00583	0.7
59.01375	15.6
68.52582	0.3
69.86472	1.0
71.01380	8.5
72.99306	0.5
73.02928	0.3
74.44311	0.3
83.01393	0.6
85.02943	11.4
85.04472	0.3
87.00865	0.5
88.43584	0.3
89.02437	10.5
93.03438	0.4
93.88094	0.2
95.01408	0.3
98.19939	0.3
98.54167	0.3
99.04511	0.4
100.87070	0.3
101.02438	6.8
101.61580	0.3
103.04009	17.9
113.02450	3.4
117.05545	0.4
119.03490	4.4
131.03462	0.4
137.02414	0.6
140.16270	0.2
145.05022	0.7
161.04591	0.6
179.05620	0.7
198.38445	0.3
265.09265	100.0
266.09616	3.6
363.76874	0.3
417.20151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	66.9
60.01692	1.0
61.98831	30.4
68.99805	1.0
69.56799	3.8
69.57216	1.7
71.01369	6.8
73.02947	1.4
78.95915	2.0
79.95749	0.8
80.08578	0.8
83.05019	1.0
85.02951	88.5
86.03262	2.2
89.02464	1.1
95.05030	0.9
96.96024	1.9
96.97002	1.1
97.02929	1.3
97.06622	1.4
98.20575	1.8
99.04515	16.6
101.02429	1.0
101.84747	1.0
110.44702	1.0
111.04600	0.9
119.03487	1.5
121.02965	15.8
121.06606	1.1
122.03306	0.9
131.04961	0.9
133.06566	2.4
135.04526	5.4
147.08008	1.0
152.99570	2.7
159.08101	1.0
163.93703	0.9
171.10326	1.2
173.09706	3.7
175.11328	0.9
187.11273	1.4
190.39246	0.8
199.11467	0.8
200.08482	2.0
201.09209	2.0
209.11781	1.6
211.13362	2.3
213.09242	2.1
215.10660	1.0
227.10675	1.0
229.12219	1.4
255.13933	1.2
266.09543	1.7
267.10248	5.4
281.11835	2.7
295.15448	1.2
306.63641	1.0
339.19266	1.0
401.23141	1.1
409.20340	2.1
419.24014	1.2
467.24374	1.3
469.26135	10.7
477.22870	1.1
495.23840	17.7
496.24234	1.8
511.23517	1.6
513.24768	27.0
514.25220	3.1
537.24335	8.5
539.26031	1.4
551.26459	1.7
555.25903	100.0
556.26245	13.8
557.24493	1.3
579.25867	19.1
580.26147	2.0
581.26825	2.6
597.26764	30.4
598.27490	3.3
599.24701	8.8
600.24695	0.9
609.26776	2.6
623.25934	1.5
641.25909	16.8
641.37354	1.0
642.26843	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	640.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.6
61.98830	100.0
71.22778	0.5
73.38857	0.3
78.95953	0.3
86.17635	0.2
97.49919	0.3
97.76102	0.3
114.52656	0.3
122.47867	0.3
152.99576	0.3
160.27055	0.3
209.11928	0.4
217.13120	0.3
279.23416	1.0
479.95612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85636	1.1
55.01880	2.5
57.03446	16.4
59.01366	4.4
67.01909	1.2
68.99815	1.2
71.01381	11.4
71.53385	1.7
72.99309	2.6
73.02953	5.4
75.00878	1.7
83.01383	7.4
84.02190	1.6
85.02953	100.0
87.00876	4.6
89.02414	1.4
93.03443	3.1
95.04993	1.9
97.02943	1.4
99.00896	1.3
99.04482	1.2
101.02431	8.7
105.74919	1.1
109.06564	1.2
111.00887	30.8
113.02467	1.7
119.03523	14.2
119.04973	6.7
121.02995	1.4
123.04535	1.9
124.05349	2.1
125.02437	3.4
129.01952	47.9
135.04518	2.0
137.02419	2.4
139.07690	8.0
143.03404	1.2
145.02872	1.4
147.03004	3.0
150.03206	1.4
151.04047	1.7
151.07640	6.5
153.09218	1.7
161.04593	4.1
163.04033	8.4
165.01907	1.1
166.02274	1.4
167.03525	2.6
171.34442	1.1
175.02565	2.0
179.10782	5.0
187.02396	2.8
191.10789	1.9
193.05043	1.8
205.03526	45.5
209.03003	1.6
209.11823	4.2
223.04590	98.9
224.04826	1.5
227.12865	3.0
271.11868	25.0
369.08240	43.1
370.08496	2.2
579.25360	1.4
597.25214	4.4
641.24329	17.2
642.24957	1.6
666.22968	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77444	0.2
57.03442	1.5
58.00579	0.7
59.01377	15.6
62.89894	0.2
63.12863	0.2
64.59283	0.3
71.01379	8.6
71.01772	0.5
71.51671	0.3
72.99300	0.7
73.02940	0.3
83.01391	0.8
85.02949	10.8
87.00404	0.2
87.00891	0.7
89.02442	10.8
93.03452	0.6
95.01383	0.6
101.02438	7.3
103.04009	17.8
104.04382	0.4
113.02433	4.0
117.05564	0.5
119.03500	4.5
128.63892	0.2
131.03499	0.3
137.02451	1.7
143.03482	0.6
145.05055	0.8
149.04607	0.4
161.04521	0.4
179.05643	0.6
194.09860	0.2
239.58771	0.2
265.09262	100.0
266.09583	3.8
299.07492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	49.9
60.98635	1.9
61.98822	15.6
62.81090	2.1
69.87648	9.7
71.01382	38.1
72.99326	2.5
78.95901	9.4
83.01402	4.8
85.02942	8.5
87.00869	13.0
89.02448	52.6
92.87589	2.3
95.01398	2.3
101.02451	20.6
103.92139	2.0
113.02451	21.7
119.03490	19.9
136.93118	2.0
143.03506	9.2
152.99628	2.6
161.04544	8.9
163.35564	2.2
179.05606	20.1
194.93729	3.1
225.00661	2.7
226.29369	2.0
241.84743	2.2
255.23283	100.0
256.23444	4.4
269.24890	4.5
277.21680	4.8
297.24435	3.9
323.09830	35.7
327.38922	2.0
341.10873	57.4
342.11346	3.4
343.01019	8.1
470.99658	2.0
474.72372	2.2
555.28589	2.6
562.07086	2.4
579.25464	3.6
579.33960	40.0
580.34082	4.3
639.26764	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	640.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54805	1.0
59.01380	16.3
61.98829	53.2
69.72400	5.5
71.01365	2.6
72.99323	5.0
73.02928	1.2
83.05035	1.3
85.02954	3.0
87.00872	23.0
89.02452	1.2
96.95970	1.4
98.20042	2.3
98.20631	1.7
99.04507	4.3
113.02460	1.0
116.92831	1.3
121.02957	3.8
131.03508	1.1
135.08119	1.3
136.05287	1.3
143.52043	0.9
151.07584	1.2
239.12436	0.9
259.13248	1.3
277.14404	5.3
278.15121	8.3
299.20151	1.7
339.23175	2.2
369.24319	1.6
383.22174	1.6
401.23383	1.3
413.23367	2.2
413.35114	1.0
429.26379	1.2
431.24347	24.1
432.24448	1.7
455.24518	2.1
460.27911	1.3
471.27750	1.4
473.25394	45.2
474.25668	5.4
491.26364	1.2
533.27527	100.0
534.27863	11.2
577.26447	27.0
578.26978	3.6
640.27301	1.9
641.26611	2.6
641.36597	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20359	0.4
55.38344	0.4
57.86650	0.4
61.98829	100.0
65.08537	0.4
69.68102	2.2
76.51920	0.5
80.18997	0.4
120.91023	0.5
140.75290	0.4
161.09848	0.5
179.10785	1.3
184.82050	0.5
197.11844	1.6
208.93024	0.5
236.50943	0.6
279.23294	2.1
569.62585	0.5
577.37469	8.3
640.43860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2809
Annotation	Crooksiine
Peak:m/z	Relative Intensity
50.35630	0.3
57.03449	0.8
59.01388	2.1
60.69200	0.4
60.69513	0.3
61.98829	3.5
69.03451	0.3
69.21777	1.5
69.22189	0.9
73.02980	0.4
79.05515	1.1
81.03463	1.2
83.05018	0.5
84.13468	0.3
85.02949	100.0
86.03275	1.0
87.04545	0.3
95.05020	0.4
97.02946	1.5
98.20284	1.7
99.03912	0.7
99.04518	8.8
107.05035	1.5
109.02949	1.3
109.06590	4.5
111.04525	0.8
121.02958	1.3
122.03779	0.5
123.04588	0.6
131.05078	0.3
133.06578	1.7
159.08066	0.5
161.09697	0.8
170.07343	0.5
171.10245	0.3
173.09732	0.5
183.08017	0.4
185.09615	0.7
198.06883	0.8
199.07603	0.5
213.09209	2.4
229.12250	0.5
265.75058	0.3
267.22897	0.3
391.19174	0.7
407.18683	0.7
409.20142	0.8
426.40576	0.4
427.21152	0.6
445.22385	0.4
477.22775	1.3
495.23773	2.6
515.22913	0.7
519.27417	2.6
520.28113	0.5
557.24359	0.5
563.26538	10.9
564.26831	1.4
595.29108	16.4
596.29932	1.9
597.27130	0.4
607.25757	0.6
611.27600	0.5
612.28333	0.4
620.66992	0.4
639.28088	28.7
640.28339	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	639.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.5
57.03431	3.8
59.01379	94.4
60.01690	1.7
61.98827	32.5
65.03944	1.8
67.01881	4.8
71.01388	21.5
71.54293	2.4
72.99270	2.2
73.02937	5.7
78.95899	16.6
81.11581	1.6
83.01373	4.7
83.05018	8.7
85.02949	11.3
85.06550	1.9
87.00867	4.9
89.02430	12.3
95.01366	3.1
96.96985	1.5
97.02926	3.4
97.06574	2.5
97.12131	1.5
99.00821	1.4
99.04520	81.3
100.04775	1.3
101.02430	15.3
103.50944	1.2
109.06592	3.1
111.00880	1.9
111.08147	6.4
113.02449	11.1
117.07127	2.7
119.03475	4.4
121.02959	56.8
121.06557	1.9
123.08153	1.9
125.06091	2.1
125.09771	8.5
127.11276	2.3
133.05069	2.2
133.06499	1.7
135.08128	3.6
137.09737	3.6
139.41240	1.3
141.05582	1.4
145.05045	2.2
147.08139	2.5
149.09731	1.4
152.99586	11.4
157.10178	2.2
161.04539	4.5
161.06059	7.8
163.11238	2.4
171.10265	60.3
179.05563	3.2
183.13850	2.0
185.11620	1.5
187.14934	1.7
199.07587	1.8
201.09254	9.2
205.15912	4.8
209.11789	21.0
211.07428	1.4
211.13382	24.9
215.10725	4.6
215.14330	6.0
221.15312	2.9
227.07025	2.3
231.13844	4.6
233.15451	24.5
235.08116	8.3
235.13196	3.6
249.14928	26.6
250.15504	1.6
253.09198	5.8
297.14914	3.3
331.26157	3.1
337.18039	2.1
341.24783	4.0
347.12854	2.4
359.25674	2.6
363.12033	2.9
363.19568	2.8
367.22803	3.3
375.25372	4.6
385.23828	19.3
403.24902	35.7
404.25165	4.2
407.19327	2.1
421.25928	10.1
429.22870	10.9
437.19516	3.1
455.20654	4.6
459.27542	4.5
473.21823	2.5
479.20480	2.3
485.23837	2.7
493.25677	2.2
511.26996	29.0
512.27264	3.7
513.28668	16.2
514.28632	2.4
515.22479	1.9
537.24835	33.6
538.25183	5.7
539.22723	9.3
555.25842	21.2
556.26483	3.5
557.27362	3.9
561.24707	1.9
575.26331	5.9
579.25659	28.9
580.26404	4.5
595.29138	5.2
597.26971	100.0
598.27289	15.7
607.28845	6.7
611.34302	3.1
621.33307	61.5
622.33844	7.9
639.28003	81.2
639.34174	32.1
640.28735	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2808
Annotation	Euphorbia diterpenoid 1
Peak:m/z	Relative Intensity
54.92273	1.4
57.03425	3.1
58.00560	1.7
59.01378	69.5
61.98829	21.9
63.34595	1.6
67.01877	6.3
71.01377	16.0
73.02938	2.6
78.95901	15.7
79.05542	1.8
81.03439	1.9
83.01398	3.9
83.05029	5.3
85.02951	7.8
87.00888	6.9
87.04537	1.9
89.02446	9.3
95.01392	1.9
97.02951	2.7
97.06593	3.6
98.20277	9.7
99.04517	67.0
100.04848	1.7
101.02459	7.0
109.47865	1.6
111.08144	5.0
113.02457	7.1
119.03507	4.1
119.08678	1.4
121.02960	32.5
123.08115	2.8
125.09682	6.3
128.76801	1.4
135.08160	2.7
145.05070	3.2
147.08162	2.1
152.99614	9.4
157.10208	1.6
161.04547	3.8
161.06059	5.7
171.10272	48.4
171.11595	1.7
172.10492	1.5
179.05672	3.5
183.13907	1.8
187.07655	1.9
187.11256	1.7
197.09695	1.8
199.07713	1.9
201.09160	9.1
205.15939	3.3
209.11806	14.9
211.13382	20.0
213.09261	1.7
215.10811	4.0
215.14412	3.5
217.12250	1.9
217.51399	1.7
221.15376	1.6
227.07143	3.1
231.13794	4.1
233.15410	12.2
235.08148	6.5
235.13414	3.0
243.10204	1.7
249.14951	20.7
253.09227	4.7
297.14944	2.7
319.17157	2.1
341.24695	2.9
359.25735	2.3
363.12051	2.5
363.19669	4.1
367.22839	3.0
375.25330	5.3
385.23801	15.2
386.23959	2.2
393.20718	2.1
403.24927	28.5
404.25436	2.6
407.18924	2.2
411.21921	3.6
421.25873	6.9
429.22763	10.1
435.21796	2.1
437.19427	2.2
455.20895	1.9
459.27518	7.1
475.24652	1.8
485.23755	2.3
493.25815	2.3
495.23514	1.9
511.26874	32.1
512.27118	1.8
513.28625	15.0
519.24109	2.3
537.24976	35.1
537.33051	1.7
538.25073	3.4
539.22607	8.7
555.25922	22.3
556.26050	2.3
557.27423	3.1
575.26190	4.6
579.25653	25.4
580.26752	4.3
595.29205	5.7
597.26990	100.0
598.27484	10.9
607.29083	7.9
611.33954	2.0
621.33392	43.7
622.33020	5.0
639.28308	93.5
640.27136	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	639.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45203	6.7
55.74305	6.2
55.95671	6.3
56.75353	5.9
57.90075	6.1
59.01378	77.4
60.60311	7.2
61.98829	45.9
65.60800	6.1
67.00663	7.7
69.44616	53.8
76.42130	6.8
99.04516	42.2
108.63210	7.2
145.17766	7.3
169.98499	7.3
180.08655	8.2
256.63828	6.5
256.91357	7.4
359.59500	6.8
515.22748	15.4
557.23755	100.0
598.48187	8.3
639.26758	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	639.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26089	1.2
57.03442	5.6
59.01381	81.9
59.87476	1.3
60.01713	1.6
61.98824	7.2
69.03446	2.3
69.31312	11.2
71.01397	6.5
72.99305	3.7
73.02957	3.3
75.00870	2.0
75.44258	1.2
81.03459	6.1
83.01384	2.1
83.05016	3.0
85.02946	7.3
87.00870	4.9
87.04503	3.5
88.98808	2.6
89.02412	1.5
96.96015	2.6
99.04546	3.3
101.02444	4.2
103.00372	100.0
103.04015	3.1
104.00673	1.3
110.84277	1.4
113.02458	3.1
118.98049	1.9
119.03471	1.7
129.01942	1.9
137.02472	1.4
137.06050	2.4
150.03206	1.3
281.19046	1.6
323.20090	1.6
325.21796	2.3
337.21332	1.7
341.21350	3.7
343.22308	1.7
353.21085	2.5
355.18753	1.6
371.22275	28.8
372.22617	2.3
373.25607	1.8
375.17981	2.1
391.17676	2.5
395.22186	1.7
401.23169	2.5
413.23291	10.3
415.21317	8.4
417.15314	4.3
431.24329	42.8
432.24600	4.6
445.21429	2.3
445.26773	2.0
457.22424	4.3
467.76877	1.4
473.25296	21.8
474.25580	2.4
475.23343	68.8
476.23584	6.3
489.25131	7.5
505.25037	2.0
517.24316	43.9
518.24670	5.9
519.21851	1.6
520.58173	1.5
535.25458	81.3
536.25598	9.1
577.26605	5.7
579.24414	82.6
580.24579	10.3
595.32617	19.3
596.33130	1.5
639.26752	28.2
639.35809	3.1
640.26672	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	639.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78986	2.1
57.03439	5.1
59.01379	100.0
59.85382	1.9
60.01709	2.4
61.98822	5.1
66.58266	2.3
69.03471	2.7
69.41673	14.6
70.39451	2.3
71.01389	21.9
72.99300	10.7
73.02936	5.4
74.99103	2.6
75.00872	3.4
81.03460	4.7
83.05038	3.8
85.02945	10.9
86.04980	2.0
87.00890	9.6
87.04523	3.1
89.02446	9.8
95.01409	2.2
96.96004	27.6
97.06588	2.5
99.00909	5.5
99.04512	8.6
101.02450	11.6
103.00376	78.9
103.04005	4.1
113.02464	7.4
119.03465	10.3
134.03780	3.2
136.99126	3.0
150.03191	4.9
165.05618	4.3
173.13284	2.1
176.04619	2.1
229.11913	2.0
235.13420	6.6
253.17973	3.2
278.45001	2.4
289.11157	28.4
290.11896	2.4
291.10953	2.6
297.16885	2.3
300.20880	2.9
309.22485	2.5
323.20221	3.4
327.23392	4.0
341.21130	10.7
353.21072	2.8
371.22235	25.3
373.25610	2.7
383.22177	3.3
385.19946	4.7
401.23404	5.3
401.29041	2.4
413.23303	7.6
415.21249	5.7
431.24338	42.8
432.24612	5.0
445.21735	10.6
459.22330	5.5
459.27811	5.9
473.25455	21.3
475.23364	64.7
476.23807	5.9
477.20462	3.2
487.23557	3.3
489.25092	6.2
505.24680	3.2
517.24335	37.3
518.24823	5.1
528.13953	2.9
535.25433	96.3
536.25830	10.5
549.26587	7.3
577.26587	15.0
579.24237	68.4
580.24658	10.8
595.32275	36.6
596.32581	3.3
606.22919	2.4
607.23010	19.1
621.21039	3.6
639.27386	61.7
639.37341	5.0
640.27271	7.7
652.70856	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	639.1355
Annotation	Quercetin 3-(6''-feruloylgalactoside)
Peak:m/z	Relative Intensity
52.29892	0.4
55.71397	0.4
57.03445	0.9
59.01379	13.5
59.03384	0.3
60.01707	0.6
61.98827	8.3
63.02396	0.8
65.00323	1.8
69.35878	1.0
69.36296	2.1
72.99296	1.2
73.02952	1.9
74.99069	0.8
76.22648	0.4
83.01378	2.3
83.05034	0.9
85.02946	2.6
87.00870	1.0
88.98774	1.1
89.02457	3.5
95.01369	0.6
95.05003	0.5
96.96001	1.1
98.01412	0.4
99.00899	0.5
99.04523	2.2
101.02448	3.1
103.03996	1.2
107.01381	3.1
108.02180	1.6
109.02931	2.6
111.04504	0.4
113.02455	1.9
115.00346	0.5
116.84975	0.4
116.92845	1.5
118.98066	1.3
119.03501	0.8
119.05048	0.5
120.99601	0.5
121.02962	2.4
123.04501	0.4
123.08179	0.4
125.02421	0.9
127.03987	0.6
133.02972	0.6
134.03778	0.6
135.00876	1.1
135.04520	1.1
137.06082	0.5
137.56514	0.4
147.04497	0.8
148.01659	1.7
149.02429	0.5
149.06026	0.5
150.03311	0.4
150.99197	0.8
151.00359	13.3
155.03514	0.5
159.04552	0.6
160.01677	0.7
161.02444	2.6
163.00377	2.7
163.03984	0.5
164.01132	0.7
165.01936	0.6
169.01369	0.6
175.02525	0.5
175.03996	1.4
178.99838	6.8
179.03523	0.5
179.05621	0.6
183.04475	0.7
187.03835	0.6
189.12851	0.4
192.00684	0.7
193.05055	0.4
199.03976	1.3
201.05522	0.7
203.03503	0.6
211.03925	1.2
212.50322	0.4
215.03468	0.9
216.04231	0.5
221.04469	0.4
223.04350	0.6
226.02721	1.5
227.03505	3.1
229.04950	0.8
235.13367	1.6
243.02960	12.4
243.05341	0.9
244.03624	0.6
245.04565	0.9
254.02193	2.4
255.02968	31.4
256.03400	1.6
265.09225	0.9
271.02454	62.7
272.02951	5.1
273.04086	1.2
283.02411	1.1
299.01907	2.2
300.02722	100.0
301.03458	47.1
302.03812	1.8
307.10565	0.6
314.04288	1.0
315.05087	3.3
323.07693	1.4
341.06024	0.4
343.04669	0.5
389.14343	0.8
391.26682	0.6
459.14853	0.4
459.27628	2.3
463.08792	41.5
464.09073	3.1
477.10251	2.9
519.23566	0.4
531.22235	1.4
537.23602	1.8
551.19385	2.2
579.24231	0.6
594.31775	2.1
595.24335	0.6
595.32990	6.3
638.34344	1.4
639.13525	76.3
639.35333	8.8
640.04138	0.8
640.13916	9.2
640.24377	0.3
642.44470	0.5
654.37225	0.5
661.20276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02704	0.6
56.72112	0.5
59.01375	1.6
60.67954	0.5
61.98829	100.0
69.80367	2.0
69.80764	1.1
71.80336	0.6
73.96943	0.6
78.95908	10.1
96.96973	1.2
98.19998	0.7
123.68041	0.5
126.19503	0.5
126.68469	0.6
152.99596	5.0
179.10796	1.4
197.11862	2.5
201.11253	1.0
202.11749	0.7
209.11882	2.1
210.12248	1.4
212.01591	0.5
219.54646	0.6
227.12888	0.7
241.10852	0.7
255.23203	4.3
256.23550	3.9
277.21732	3.0
354.34436	0.6
377.20514	0.6
382.13815	0.7
391.22919	0.9
409.24179	0.7
500.64990	0.6
575.00616	0.6
575.35913	9.0
576.36493	1.2
620.36047	3.4
621.37354	0.9
638.36786	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.372
Annotation	6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxocyclodeca[b]furan-5-yl ester 9,12,15-octadecatrienoic acid
Peak:m/z	Relative Intensity
59.01370	0.8
61.98537	0.7
61.98834	6.6
63.74801	0.6
66.66482	0.5
68.89113	0.5
77.74549	0.6
78.95902	100.0
83.05017	1.2
84.10368	0.6
96.96957	9.1
112.31043	0.5
127.11311	1.1
134.98532	2.0
136.52461	0.6
145.23407	0.5
152.99579	56.2
153.99939	0.6
171.00645	1.6
178.47906	0.5
191.10803	0.6
201.11298	15.0
209.11810	26.0
210.12106	0.7
227.12917	3.7
252.38431	0.7
255.23273	88.7
256.23633	6.3
290.05322	0.6
363.12158	4.7
381.13333	5.4
391.22522	13.7
392.22775	0.9
409.23593	7.5
593.34949	4.2
619.36072	36.0
620.36414	4.0
637.37164	68.5
638.27527	1.0
638.37347	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	637.287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
59.01382	100.0
60.01724	1.3
60.75765	0.6
61.98834	7.0
68.99573	4.5
69.03439	0.9
71.01382	5.2
71.54189	0.7
72.99319	1.2
73.02949	4.7
75.70070	0.5
81.03488	0.9
83.01410	1.6
83.05032	1.6
85.02949	3.7
87.00881	1.6
87.04501	0.8
88.98824	0.9
89.02441	1.9
93.03450	0.6
95.97884	0.5
96.96041	1.4
97.06608	0.6
99.00917	1.0
99.04528	1.7
101.02446	3.3
103.04013	3.3
107.20776	0.6
111.04543	1.2
112.98569	7.1
113.02477	2.4
115.92096	0.7
116.92899	0.5
119.03532	1.2
119.08714	0.6
121.02965	1.0
129.05655	0.5
132.36110	0.6
134.97554	0.5
135.08183	0.8
136.79268	0.5
141.05658	0.7
147.04543	2.2
150.58072	0.5
151.11298	1.6
164.48582	0.5
185.13535	0.5
219.13991	1.8
235.13283	0.8
249.14957	4.0
265.09497	2.1
307.10388	1.7
311.22461	1.0
329.23416	1.9
331.15793	0.6
352.48608	0.5
357.16962	0.6
361.06696	0.6
373.16708	0.7
389.25458	1.8
429.26633	0.6
454.58200	0.6
457.25909	1.4
487.27151	0.8
489.28561	49.8
490.28976	5.3
491.26303	1.0
499.23801	1.2
500.23935	0.7
517.21136	1.1
533.27399	17.2
534.28229	1.2
551.28461	2.7
559.25446	2.6
577.25531	0.9
592.34332	0.8
593.30640	12.4
594.30933	1.7
637.35712	10.6
638.34875	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03441	2.3
58.00599	0.5
59.01379	36.3
60.99300	0.8
61.98835	8.9
69.03477	0.9
69.21606	2.2
69.22040	2.2
71.01385	15.9
71.05009	2.6
72.99313	2.1
73.02950	15.3
75.00890	1.2
78.95892	2.1
83.01390	4.8
83.05023	1.6
84.73886	0.5
85.02959	5.1
87.00881	3.8
88.05650	0.5
88.98810	4.9
89.02448	7.3
90.75808	0.5
95.01376	1.1
96.96028	0.7
97.02942	0.6
99.00875	1.5
99.04520	1.3
101.02441	13.1
103.04041	0.6
111.04533	1.0
113.02461	5.0
116.92817	0.6
119.03489	2.3
120.99657	2.0
121.02959	2.5
124.47579	0.5
125.02406	0.9
125.06126	0.5
147.04518	5.1
161.04564	2.0
163.11322	0.6
189.96953	0.5
208.61589	0.5
209.11844	9.6
209.19109	1.7
210.12225	0.6
214.56607	0.6
251.20230	1.0
269.21243	1.3
277.21744	2.0
291.95963	0.5
353.27045	2.0
371.28018	14.0
389.29025	2.1
447.27081	0.7
475.26236	1.2
489.21750	1.1
489.28296	5.7
490.29050	1.0
515.32635	0.6
517.27301	1.0
521.33136	2.7
533.33478	1.1
551.34576	3.1
565.41089	0.6
577.25824	0.7
593.35431	100.0
594.35742	11.2
595.25409	0.6
637.25195	1.8
637.35126	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	637.287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
59.01382	100.0
60.01724	1.3
60.75765	0.6
61.98834	7.0
68.99573	4.5
69.03439	0.9
71.01382	5.2
71.54189	0.7
72.99319	1.2
73.02949	4.7
75.70070	0.5
81.03488	0.9
83.01410	1.6
83.05032	1.6
85.02949	3.7
87.00881	1.6
87.04501	0.8
88.98824	0.9
89.02441	1.9
93.03450	0.6
95.97884	0.5
96.96041	1.4
97.06608	0.6
99.00917	1.0
99.04528	1.7
101.02446	3.3
103.04013	3.3
107.20776	0.6
111.04543	1.2
112.98569	7.1
113.02477	2.4
115.92096	0.7
116.92899	0.5
119.03532	1.2
119.08714	0.6
121.02965	1.0
129.05655	0.5
132.36110	0.6
134.97554	0.5
135.08183	0.8
136.79268	0.5
141.05658	0.7
147.04543	2.2
150.58072	0.5
151.11298	1.6
164.48582	0.5
185.13535	0.5
219.13991	1.8
235.13283	0.8
249.14957	4.0
265.09497	2.1
307.10388	1.7
311.22461	1.0
329.23416	1.9
331.15793	0.6
352.48608	0.5
357.16962	0.6
361.06696	0.6
373.16708	0.7
389.25458	1.8
429.26633	0.6
454.58200	0.6
457.25909	1.4
487.27151	0.8
489.28561	49.8
490.28976	5.3
491.26303	1.0
499.23801	1.2
500.23935	0.7
517.21136	1.1
533.27399	17.2
534.28229	1.2
551.28461	2.7
559.25446	2.6
577.25531	0.9
592.34332	0.8
593.30640	12.4
594.30933	1.7
637.35712	10.6
638.34875	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50549	0.3
57.03455	0.6
59.01380	46.5
61.98835	3.2
65.00120	0.3
69.03457	0.4
69.41615	1.9
71.01383	0.5
72.99313	2.5
73.02951	1.1
76.54523	0.3
81.40681	0.3
83.05016	0.6
85.02996	0.4
87.00890	0.4
87.04522	0.7
98.19881	0.4
99.04526	0.4
101.02502	0.4
111.04516	0.6
121.02947	1.0
133.10150	0.3
135.08199	0.5
139.69034	0.3
145.10228	0.4
147.04539	0.8
147.11845	0.5
151.11272	3.5
185.09628	0.4
185.80370	0.4
187.11288	0.9
201.12828	4.1
219.13820	0.4
231.13858	0.4
249.14964	2.0
257.19009	0.4
295.15427	0.8
297.22253	0.7
335.23721	0.4
337.21857	0.6
353.24750	2.3
365.24759	0.4
367.26294	0.4
383.26288	0.7
401.27121	2.1
429.26279	1.9
447.27588	0.6
453.26331	0.5
471.27509	3.3
489.28568	100.0
490.28970	10.9
491.26617	0.5
533.27039	1.0
551.28522	3.1
593.29572	30.2
594.29883	4.5
637.26495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.5
58.01358	0.4
59.01381	44.4
60.01720	0.4
61.98830	1.3
69.03425	0.7
69.17683	4.1
71.01385	3.1
72.99303	1.3
73.02950	2.3
79.05552	0.7
80.55267	0.4
81.03436	0.6
83.01383	0.8
83.05016	1.2
85.02959	2.7
87.00859	1.3
87.04531	2.0
89.02458	1.3
96.95998	0.7
98.19961	1.2
99.04524	0.5
101.02441	2.2
103.04017	1.1
109.02985	0.4
111.04494	0.4
113.02441	1.6
131.08672	0.8
133.06560	0.5
147.04492	1.4
147.08131	0.6
149.09718	10.9
150.10152	0.4
161.04610	0.9
181.08751	0.5
189.12881	0.5
213.12769	0.5
279.16025	2.4
297.22028	0.6
310.11819	0.4
325.25345	0.6
329.23364	1.1
335.23904	0.5
337.25189	0.5
340.92435	0.4
348.96616	0.4
353.24878	0.8
355.15707	0.6
355.26501	1.6
365.24841	0.9
371.25125	0.4
383.25897	3.5
388.84128	0.5
389.25571	0.6
399.25323	0.9
401.26889	4.6
429.26239	2.3
447.27490	5.5
449.25354	0.5
489.28568	100.0
490.28967	10.2
491.26559	1.2
499.23328	0.7
517.24457	0.5
533.27356	1.5
551.28864	4.0
559.25293	0.6
577.24188	0.4
593.29742	20.7
594.30188	2.7
637.26978	2.8
637.34576	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	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93088	0.2
57.03461	0.4
59.01382	6.8
61.98828	13.8
69.03479	0.3
70.28910	0.8
71.01379	1.8
72.99326	0.4
73.02948	0.3
75.00907	0.6
81.03492	0.4
83.01421	0.4
83.05024	1.1
85.02950	1.9
86.31550	0.2
87.95348	0.3
93.03484	0.8
95.05046	0.5
97.02991	0.4
99.00899	0.9
99.04524	1.1
101.02445	0.6
103.05525	1.3
105.07098	0.3
107.05005	0.3
111.04562	0.7
113.02470	0.4
119.03450	0.2
119.05051	1.6
120.99653	1.7
121.02955	18.7
121.06618	0.6
122.03252	0.6
127.04021	0.4
133.06635	0.4
135.04536	0.6
137.06100	0.2
139.04007	0.3
147.04515	100.0
148.04846	2.4
149.06078	0.3
159.08139	0.3
161.06079	0.9
161.09697	0.4
163.11307	0.6
171.08134	0.4
171.10187	0.3
173.09773	0.3
177.09065	0.3
189.09119	0.2
199.07591	0.6
199.11250	0.3
201.09253	0.3
201.44672	0.2
209.11816	12.9
210.12131	0.6
215.10538	0.3
233.11778	0.3
243.10158	1.0
253.09048	0.3
256.43246	0.2
263.10757	0.3
349.16324	0.3
378.29623	0.2
378.51328	0.2
411.21286	0.7
453.18893	0.3
457.26233	0.3
461.22647	0.2
471.19626	0.3
489.21289	18.8
489.27792	0.7
490.21619	1.4
519.23462	0.4
520.94385	0.2
533.24390	0.7
535.22192	0.3
537.24323	0.4
553.23822	0.4
557.25867	0.4
561.24805	0.3
575.22430	2.6
577.23981	0.5
579.25146	0.4
593.27515	3.3
594.27057	0.4
595.24438	0.6
601.23950	0.8
605.26581	0.3
619.24646	0.9
637.25586	9.1
638.26465	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.0
59.01381	100.0
60.99305	1.4
61.98822	1.3
66.62566	1.0
69.03449	4.4
71.01384	6.5
72.99315	3.4
73.02934	2.9
75.02254	1.2
83.01380	1.3
83.05057	5.5
85.02960	3.6
87.00877	3.1
87.04542	7.4
89.02435	2.6
93.03469	2.6
95.04977	1.3
96.76283	1.1
96.96017	11.8
101.02471	3.2
103.03978	1.8
107.88357	1.1
111.04522	1.6
113.02471	1.8
119.03524	3.1
123.04473	1.9
135.04517	1.3
135.08142	3.1
137.91483	1.0
161.04568	1.3
167.35710	1.3
178.97899	1.2
188.22127	1.1
196.70413	1.2
223.06125	3.6
226.61101	1.2
227.07195	1.2
257.53143	1.2
277.19864	1.4
289.11151	12.5
338.00287	1.3
339.23169	2.6
340.61115	1.2
351.23355	1.3
353.20987	1.4
369.24677	1.4
413.23206	2.5
433.15289	1.5
441.22467	2.0
455.24304	3.8
473.25443	42.1
473.32062	2.3
474.25732	4.6
475.41983	1.2
489.28494	1.7
503.26248	2.3
515.26776	1.8
517.24432	12.6
518.25037	1.9
533.27649	59.7
534.27856	5.3
559.25531	2.9
577.26532	43.8
578.26929	4.1
593.29810	59.3
594.30090	7.2
605.22253	3.8
637.28973	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06150	0.4
59.01379	22.8
60.01735	0.7
61.76491	0.6
61.98832	19.2
63.54015	0.6
69.03512	0.6
69.56164	1.5
69.56567	1.2
71.01372	3.8
71.78561	0.6
72.99339	1.1
73.02973	2.0
75.00864	0.6
83.01436	0.8
83.05062	1.6
85.02955	2.3
87.00964	0.8
88.98864	1.0
89.02493	1.9
93.03499	1.1
95.01429	0.5
95.05066	0.7
96.96118	0.6
98.20594	0.6
99.00912	1.7
99.04504	5.2
101.02469	2.2
101.06093	0.5
103.05569	2.2
109.02956	0.9
111.04544	1.2
113.02493	2.3
115.07639	3.2
119.03544	0.6
119.05020	2.7
121.02954	46.6
121.06563	0.8
122.03280	4.1
123.03578	0.7
123.04528	0.5
125.06081	0.6
127.04017	0.6
135.04514	0.7
135.08110	0.8
137.06110	0.6
147.04518	100.0
148.04855	3.7
151.07573	0.6
157.41011	0.6
159.08150	0.7
161.04604	1.1
161.06053	1.6
164.71962	0.5
171.10223	0.5
173.09784	0.5
183.07906	0.6
201.09247	0.6
209.11746	5.4
211.05998	0.5
260.97037	0.6
294.96542	0.6
357.23831	0.5
372.27985	0.7
401.22934	0.9
411.21619	0.5
412.49503	0.5
455.19196	0.6
461.21384	1.5
489.21387	12.2
489.28128	1.5
490.21109	1.1
497.23120	0.6
505.24353	0.7
515.23505	1.0
517.32068	0.8
533.25299	7.6
534.25409	0.6
537.24719	1.0
550.25134	0.8
551.25958	6.9
552.25934	0.5
553.23651	1.4
555.26324	2.7
575.26636	2.3
576.98724	0.5
577.23157	1.3
577.34924	0.6
592.25690	0.8
593.26422	7.0
595.25336	7.0
596.25446	1.0
619.24170	1.9
637.25366	17.3
638.25208	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	637.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.3
61.98831	5.5
65.57816	0.4
71.01379	2.7
72.17265	0.3
73.02954	0.5
79.05569	0.4
83.05034	1.0
85.02965	1.4
87.04526	0.4
88.20395	0.4
93.03478	0.4
95.05044	0.6
99.04533	1.8
101.02465	0.7
107.05030	0.5
108.02187	0.5
109.06580	0.6
111.04532	0.5
113.02437	0.5
118.78440	0.4
119.05006	0.6
121.02962	100.0
122.03333	2.2
123.04548	0.4
125.09706	0.5
147.04527	0.9
158.03738	1.7
159.04474	0.5
161.09575	0.4
163.11337	0.6
171.10309	0.6
173.09811	0.7
187.07539	0.4
207.10251	2.5
209.04533	0.5
209.11914	0.6
217.12369	0.5
225.11342	1.2
231.13911	0.6
253.09270	0.7
297.14911	0.5
383.22180	0.8
393.20135	0.4
401.23441	1.2
411.21796	1.9
429.22943	3.3
455.20959	1.1
461.20319	0.9
473.22095	0.9
479.24716	0.6
497.22556	1.7
507.27945	0.5
515.23749	4.7
516.24152	0.4
528.22693	0.4
533.25507	5.3
534.25922	0.5
551.26520	16.4
552.26874	1.6
553.24939	0.4
557.25696	0.6
561.24921	0.5
577.24438	3.1
593.27692	0.5
595.25537	12.9
596.26074	1.0
601.25403	0.6
619.31488	3.0
637.25665	8.8
638.26709	0.7
656.44659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23781	0.4
59.01381	10.8
61.98832	4.8
71.01390	1.0
71.53152	0.6
77.03996	0.5
81.03466	0.4
83.05044	1.0
85.02968	1.2
93.03474	0.8
96.27724	0.4
97.71680	0.3
99.04514	5.4
108.02181	0.4
111.04512	0.7
119.05029	0.5
121.02959	100.0
122.03297	1.7
133.06619	1.5
138.00681	0.4
147.04553	3.2
147.08145	0.6
159.08156	0.6
161.09628	0.5
163.23463	0.4
173.09691	2.4
197.09727	0.4
209.11832	0.5
253.12288	0.7
265.12100	0.5
279.13800	1.0
280.14316	0.5
297.14972	0.9
309.18521	0.4
319.17023	0.6
345.18564	0.7
367.18820	0.5
393.20886	0.6
411.21643	1.4
415.24915	0.5
429.22711	1.2
453.22745	1.2
487.24905	0.7
497.23074	4.7
497.29227	0.6
505.26166	0.8
515.24121	11.4
516.24615	0.7
533.25433	12.2
534.25476	1.1
551.26526	7.9
552.27094	0.6
557.25525	4.2
575.26459	10.0
577.24152	0.8
595.25647	0.7
595.36804	0.5
601.30280	8.4
602.30518	0.6
619.25220	1.5
637.26385	31.9
638.26581	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	637.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.3
61.98831	5.5
65.57816	0.4
71.01379	2.7
72.17265	0.3
73.02954	0.5
79.05569	0.4
83.05034	1.0
85.02965	1.4
87.04526	0.4
88.20395	0.4
93.03478	0.4
95.05044	0.6
99.04533	1.8
101.02465	0.7
107.05030	0.5
108.02187	0.5
109.06580	0.6
111.04532	0.5
113.02437	0.5
118.78440	0.4
119.05006	0.6
121.02962	100.0
122.03333	2.2
123.04548	0.4
125.09706	0.5
147.04527	0.9
158.03738	1.7
159.04474	0.5
161.09575	0.4
163.11337	0.6
171.10309	0.6
173.09811	0.7
187.07539	0.4
207.10251	2.5
209.04533	0.5
209.11914	0.6
217.12369	0.5
225.11342	1.2
231.13911	0.6
253.09270	0.7
297.14911	0.5
383.22180	0.8
393.20135	0.4
401.23441	1.2
411.21796	1.9
429.22943	3.3
455.20959	1.1
461.20319	0.9
473.22095	0.9
479.24716	0.6
497.22556	1.7
507.27945	0.5
515.23749	4.7
516.24152	0.4
528.22693	0.4
533.25507	5.3
534.25922	0.5
551.26520	16.4
552.26874	1.6
553.24939	0.4
557.25696	0.6
561.24921	0.5
577.24438	3.1
593.27692	0.5
595.25537	12.9
596.26074	1.0
601.25403	0.6
619.31488	3.0
637.25665	8.8
638.26709	0.7
656.44659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84535	0.3
56.68115	0.3
59.01384	4.6
61.98832	7.4
63.49611	0.3
70.63086	1.1
71.01379	0.9
78.95905	0.4
83.05035	0.5
85.02947	0.4
93.03442	0.8
99.04524	1.1
101.02382	0.4
111.00895	0.4
111.04542	0.4
119.04993	0.3
121.02956	100.0
122.03314	2.5
133.06596	0.5
136.18011	0.3
147.04536	0.8
147.08208	0.5
149.85951	0.3
158.03661	1.3
159.04550	0.4
173.09718	0.6
183.86139	0.4
197.09712	0.4
209.11884	0.4
215.10840	0.3
273.78119	0.4
367.18832	0.4
370.24780	0.4
411.21561	1.7
427.38345	0.4
429.18341	0.3
429.22787	3.3
455.20325	0.8
473.21390	0.4
497.22342	1.9
507.26901	0.5
515.23560	4.3
516.24017	0.6
533.25366	5.0
534.25586	0.5
551.18207	0.8
551.26495	14.7
552.26825	1.2
559.22485	0.6
575.26215	0.8
577.24054	2.6
593.04065	0.5
593.26288	0.7
595.25439	14.4
596.25385	1.5
601.25275	1.5
605.23248	0.7
619.25330	3.5
620.26025	0.5
637.26135	12.0
638.26605	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01379	22.5
61.98828	6.7
65.78963	0.7
67.01896	0.9
71.01382	4.4
71.46841	0.6
71.53876	1.2
75.00878	0.7
83.05043	2.5
84.02148	0.8
85.02951	11.3
87.00875	5.2
89.02460	1.8
90.33498	0.6
93.03461	6.1
95.05011	0.7
99.00844	1.1
99.04522	2.8
99.27762	0.6
101.02471	0.7
104.99776	0.8
107.05054	0.8
107.85841	0.7
108.02204	0.6
111.04539	4.3
119.05010	8.5
121.02956	100.0
122.03310	3.1
123.04532	1.3
133.06631	1.1
135.04544	1.8
139.11104	0.6
141.41376	0.6
142.44377	0.7
145.03059	0.8
147.04517	3.4
149.06055	0.8
158.71503	0.7
161.06033	1.3
177.05678	0.8
178.06339	2.7
179.07016	0.7
188.38701	0.8
193.05031	0.9
209.11847	1.7
227.94745	0.8
295.15442	0.8
395.18253	0.9
401.23322	1.5
411.21310	0.8
439.20981	1.1
465.22766	4.5
491.20660	2.5
507.23584	1.3
509.95630	0.7
515.23486	1.9
533.25238	3.0
535.22949	0.9
549.24731	1.4
551.27228	4.1
553.36951	0.7
559.23401	10.9
575.25946	1.9
577.24670	4.7
591.26068	1.1
595.25470	8.7
601.24512	6.9
605.27429	1.2
619.23981	7.3
619.40015	1.4
637.26306	80.7
638.26715	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	637.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.9
57.04613	1.0
59.01380	34.9
65.44003	0.9
69.03419	1.0
69.39194	3.8
69.39626	3.5
71.01385	12.4
73.02938	3.8
81.03474	0.9
83.01414	1.2
85.02941	11.3
87.00874	2.1
87.04504	1.3
89.02461	4.8
96.96019	4.9
98.20667	1.9
99.04501	1.7
101.02430	8.0
103.04012	28.8
113.02433	4.6
119.03463	3.8
119.04993	2.6
121.02944	4.2
122.03742	4.5
123.04517	4.5
132.02130	1.8
133.02992	4.8
134.03738	29.0
135.04485	4.7
136.01654	1.7
137.02437	2.8
146.03757	1.1
147.04504	3.4
148.05295	1.3
149.02420	9.7
149.06049	8.8
150.03227	24.3
151.04010	10.4
153.05472	1.3
160.01671	8.6
161.02470	7.2
161.06056	1.6
164.04788	3.1
165.05556	22.9
175.03975	11.6
176.04794	6.1
177.01775	1.4
178.02711	9.3
180.04292	2.5
181.05045	4.1
189.05640	1.1
191.07103	5.7
192.04254	4.2
192.07271	1.1
193.05046	26.6
193.06801	1.6
195.06587	3.7
206.05820	1.1
207.06641	1.4
208.03708	1.9
223.06102	4.0
227.07173	2.0
235.06065	8.5
239.07019	1.3
247.08220	1.3
250.06207	1.1
265.06802	1.4
265.09274	17.9
267.06528	1.4
282.08911	4.1
289.11023	3.2
297.11386	1.7
341.10352	7.3
355.11761	2.8
371.11313	2.7
371.24362	1.9
373.16479	1.0
383.11343	2.8
389.12149	6.8
413.12326	1.1
423.12506	1.1
440.13388	1.9
441.13992	16.2
445.26282	1.8
455.15280	3.0
495.14655	5.3
533.28479	5.6
557.16669	1.4
589.19055	12.0
592.32709	1.3
593.30078	59.6
594.30487	3.3
601.19104	2.5
605.22034	4.4
618.69238	1.0
619.20367	15.5
620.21039	1.4
637.21313	100.0
638.21527	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	637.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.0
59.01377	6.6
69.98657	3.5
70.83402	0.7
71.01379	5.4
73.02911	0.8
75.45199	0.7
75.72733	0.7
85.02952	10.3
89.02470	4.0
93.03467	1.2
94.51917	0.7
96.96012	1.0
101.02425	4.2
103.04015	22.9
113.02455	2.6
119.03493	1.4
121.02936	4.4
122.03723	5.4
123.04527	2.3
132.02161	1.2
133.02968	3.8
134.03741	17.6
135.04518	1.2
136.01683	1.1
137.02434	1.9
147.04489	2.1
148.05284	1.9
149.02415	8.4
149.06070	3.2
150.03224	36.9
151.03984	7.9
160.01657	7.5
161.02458	3.9
164.04796	2.3
165.05568	37.8
166.05887	1.0
175.04001	13.0
176.04778	5.2
177.01859	1.4
178.02727	3.8
179.07111	1.4
180.04253	3.1
181.05098	9.9
190.06242	0.8
191.07111	8.6
192.04259	2.2
193.05051	19.4
194.05623	1.1
195.06628	8.9
207.06572	1.3
208.07314	1.1
220.03726	1.6
235.06111	10.3
236.06203	0.9
239.07153	1.1
250.06468	1.1
265.09271	18.4
266.09494	0.9
267.06610	1.0
282.08878	3.0
295.08118	1.8
341.10275	5.2
359.14926	7.1
383.11307	2.8
384.12616	0.8
387.39337	0.9
389.12274	2.5
423.12790	1.1
431.12985	1.8
440.13232	3.3
441.13992	17.6
442.14191	0.8
455.15964	3.6
533.26184	1.2
551.27637	1.0
589.19385	3.6
593.31506	1.0
601.20557	0.9
637.21332	100.0
638.21704	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	636.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81434	0.4
59.06323	0.3
61.98832	100.0
69.14111	0.3
71.15308	0.8
78.95915	4.9
83.84187	0.4
86.61659	0.3
96.85877	0.3
96.96961	0.6
152.99620	2.3
171.10313	0.6
223.20697	1.0
224.21025	0.5
225.11356	0.4
255.23390	1.4
256.23663	1.4
267.19720	0.7
268.20020	0.6
286.21106	0.5
293.21240	0.5
618.35297	0.6
636.36536	2.0
636.45654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66729	0.3
55.56234	0.4
61.98829	100.0
70.79718	0.8
78.95908	1.4
85.54951	0.3
108.14687	0.3
128.59801	0.4
147.06200	0.4
148.01755	0.3
152.99532	0.8
171.10338	0.8
199.70801	0.4
255.23170	0.5
399.14035	0.5
400.14331	0.5
636.35999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
67.62482	0.4
69.83256	0.9
69.83646	1.1
71.01379	1.5
73.02975	0.4
85.02956	1.7
93.03442	0.4
95.01389	0.5
98.20373	1.1
99.00911	0.4
101.02419	0.8
108.02173	52.9
109.02962	18.0
110.03346	0.5
113.02460	1.3
114.60522	0.4
121.02955	0.7
123.00870	0.7
123.04479	0.8
135.04532	0.6
137.02466	0.5
151.03978	1.2
152.01149	49.8
153.01944	18.8
154.02269	0.5
163.04018	1.3
165.01949	1.5
286.53888	0.4
315.07205	100.0
316.07556	4.2
320.19650	0.4
585.50238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73269	0.2
58.02973	10.1
58.77968	0.2
59.01376	0.6
69.27510	0.7
69.27934	1.6
70.02976	4.7
70.21945	0.3
71.01388	0.6
72.00908	2.8
73.02937	0.4
85.02951	1.6
87.00913	0.4
89.02397	0.4
91.05537	4.2
96.96007	0.9
98.19745	0.3
99.00884	0.3
101.02424	0.5
103.05538	0.7
111.04477	0.2
119.05026	0.3
121.02955	1.0
129.01953	1.0
130.02271	0.3
133.02991	0.5
134.03749	1.6
135.04494	0.7
137.02472	0.4
147.03107	1.0
147.04520	19.6
148.03267	0.4
148.04866	0.7
149.02489	0.4
149.06039	0.7
150.03223	0.9
151.03972	0.4
162.09264	0.6
164.07161	50.2
165.05591	1.1
165.07468	1.5
178.02667	0.8
191.02026	0.3
193.05046	2.6
195.02951	0.5
195.06590	0.4
206.08211	100.0
207.08568	3.4
223.04585	0.6
235.06090	0.4
249.08061	0.8
250.07248	1.2
251.62155	0.3
341.10281	0.4
356.70319	0.3
389.12286	1.1
593.18750	0.7
636.20972	0.4
637.24908	5.2
652.01337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74818	0.4
58.02975	13.2
59.01374	1.2
67.49525	0.4
70.02976	5.0
71.01369	0.7
72.00909	2.7
73.02956	0.6
85.02972	2.8
91.05540	3.3
96.96008	4.0
97.95916	0.4
101.02454	1.4
103.04032	0.7
103.05530	0.6
105.47533	0.4
118.69873	0.5
119.05090	0.6
121.03016	1.0
123.04528	0.5
129.01942	4.0
130.02237	0.5
133.02940	1.6
134.03833	2.3
135.04559	0.7
139.99800	0.4
147.03012	4.4
147.04514	19.9
148.03294	0.8
148.04828	0.5
149.02481	1.0
149.06105	0.7
150.03241	1.4
151.03978	0.7
159.71317	0.4
162.09238	0.7
162.99069	0.5
164.07167	53.5
165.05554	1.7
165.07513	1.5
178.02721	1.0
181.05014	0.4
193.05107	4.3
195.02988	1.3
195.06601	1.0
206.08224	100.0
207.08537	4.0
249.05708	0.4
249.08044	9.6
250.08543	2.9
341.10092	0.5
347.46799	0.4
389.12411	1.9
593.18744	1.4
633.76086	0.4
637.24988	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	635.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03965	0.5
55.01876	0.7
57.03443	3.9
58.00605	0.4
59.01379	84.8
60.01719	0.6
61.73528	0.4
61.98835	3.6
66.81533	0.4
69.03481	0.9
69.21268	3.6
71.01380	11.1
72.01707	0.4
72.99321	1.6
73.02943	5.0
75.00874	0.8
78.82048	0.5
83.01386	2.5
85.02950	7.2
85.06597	0.5
87.00887	3.3
87.04530	0.8
89.02451	3.9
95.01398	0.9
95.28460	0.4
97.02956	0.4
98.20619	0.7
99.00899	1.9
99.04535	2.5
100.04900	0.6
101.02441	8.0
103.04038	0.8
106.71056	0.4
107.17862	0.3
109.03021	0.5
111.04539	0.6
113.02467	5.0
114.65127	0.4
119.03494	1.2
121.02957	0.8
125.02455	0.7
129.02058	0.4
147.04468	1.2
159.02975	0.7
161.04539	1.5
171.10252	3.8
173.08107	0.5
198.68297	0.4
201.11314	1.5
209.11703	2.6
209.19144	1.3
211.17050	1.1
265.21600	0.8
278.57800	0.4
281.24841	3.3
283.22815	5.7
283.32709	0.5
284.23071	0.5
440.61053	0.5
455.26410	0.5
471.29697	1.5
487.26633	2.6
489.30850	1.1
531.31799	1.9
542.17426	0.5
549.32837	1.5
557.27216	0.7
573.33167	2.9
575.25159	0.5
577.26599	0.6
591.33844	100.0
592.34216	11.4
617.26672	0.5
635.32800	4.0
636.24231	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90003	1.0
57.03447	2.8
59.01379	100.0
61.01799	1.0
61.98826	15.9
68.72634	1.0
68.99567	2.4
69.03445	1.7
71.01376	14.4
71.54418	1.5
72.99309	4.2
73.02937	6.8
73.54426	0.9
75.00867	1.4
83.01398	1.6
83.05034	1.9
85.02965	10.4
87.00872	10.4
87.04537	1.5
88.96569	0.9
89.02454	3.5
95.01392	1.5
96.95992	2.2
97.06586	1.0
99.00855	1.2
99.04516	7.5
101.02440	9.7
101.06097	1.3
103.04021	1.3
112.98529	2.1
113.02434	7.4
113.06056	1.2
119.03470	1.2
119.05018	1.0
121.02944	1.2
121.06532	1.0
123.08167	1.4
143.03413	1.4
147.04512	2.3
149.09750	1.3
161.04543	2.2
171.10271	3.5
195.17538	1.3
201.11261	1.9
209.11809	3.7
227.13039	1.1
265.09286	1.1
281.24844	1.3
283.22763	4.0
387.23447	1.5
445.25912	3.2
471.29303	2.1
473.25330	4.5
487.26984	56.0
488.27274	5.6
515.19373	1.6
515.25775	6.1
515.32452	4.1
531.25269	7.9
531.32690	1.7
549.33484	1.9
573.33221	2.3
591.33929	91.6
592.34406	9.7
635.32819	15.7
636.32172	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25894	0.8
54.38432	0.8
55.90748	0.8
57.03431	2.6
59.01379	95.8
60.01706	0.8
61.98839	4.1
69.03452	1.5
69.12400	0.9
69.28226	6.9
69.85812	0.7
71.01386	12.1
72.99308	2.0
73.02953	5.5
83.01368	2.6
83.05002	0.9
85.02950	9.8
87.00895	4.1
89.02438	3.0
90.48080	0.8
96.95984	1.2
97.02934	1.4
97.06577	0.9
98.20059	3.1
99.00858	3.0
99.04514	3.4
101.02435	10.1
103.04001	2.0
106.36634	0.8
109.02930	1.2
111.04552	1.1
113.02435	5.8
115.04025	1.3
119.03423	0.8
121.02933	2.0
124.01602	0.7
124.99938	0.8
134.96181	0.9
147.04482	2.7
161.04544	1.1
171.10297	1.2
172.98119	0.8
185.11804	1.1
195.17657	0.9
197.15404	1.0
207.77661	0.9
265.09436	1.3
265.21643	1.7
281.24799	2.2
283.22772	5.1
325.23874	2.8
326.48666	0.9
327.21762	6.0
334.22235	0.9
371.15094	1.7
387.23883	11.8
388.24081	1.2
407.95609	0.8
445.26028	1.8
471.29453	2.3
487.20618	1.3
487.27005	15.6
488.27191	1.6
489.21167	1.8
489.30716	1.4
531.25146	1.4
531.32312	2.0
549.25299	1.3
573.32794	2.9
575.24945	1.6
591.33984	100.0
592.34229	11.2
603.23438	5.7
611.83380	0.9
617.24298	1.2
635.25629	3.9
635.32935	4.1
636.25616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36526	0.5
55.35524	0.5
59.01378	100.0
60.01699	0.7
61.98827	5.5
70.70653	1.6
78.95916	1.6
117.40334	0.5
121.02925	2.5
152.99609	0.9
189.05690	1.3
190.05954	1.0
575.30151	16.5
575.39270	0.8
576.30743	2.3
635.25250	2.1
635.36932	0.9
636.25568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	11.6
59.01382	41.1
61.98805	1.1
69.03455	1.3
69.19607	1.0
69.47004	3.6
69.47424	3.3
71.01383	14.2
72.99290	4.5
73.02943	14.2
79.05502	2.8
81.03419	1.1
83.01369	3.6
83.05005	1.1
85.02940	7.5
85.06490	1.0
87.00852	3.9
89.02425	3.1
93.03482	1.0
96.95982	3.5
97.02893	2.0
99.00291	1.0
99.00891	13.3
99.04510	1.8
101.02440	10.4
103.03979	2.5
103.05513	3.1
104.37140	1.0
111.04502	1.8
113.02415	3.0
119.03391	0.9
119.05022	2.1
121.02856	1.1
121.06591	7.8
123.04488	1.0
126.51397	1.0
131.03532	1.3
135.04512	1.4
135.08159	1.4
141.44177	1.0
147.04517	86.7
148.04797	1.4
149.06055	2.4
167.14320	1.6
193.08684	2.5
209.19069	1.7
238.78166	1.0
261.12677	1.4
265.09219	1.5
279.13953	1.9
279.23297	2.4
289.21500	1.4
293.13861	2.0
305.21115	4.3
306.52844	1.0
307.10349	1.4
307.22675	1.0
325.20377	1.4
325.23813	13.6
331.49878	1.0
333.20560	1.7
351.21780	5.3
369.22620	3.9
387.19955	2.9
387.24194	1.5
418.15042	1.1
445.25449	1.2
455.23489	1.0
457.21750	1.4
471.23904	1.9
487.26974	43.4
488.27036	3.9
515.23950	1.3
517.21991	3.9
531.26886	2.1
535.62781	1.2
547.31244	2.3
549.28851	4.9
563.26178	1.8
573.29498	4.6
575.24176	1.7
591.30170	100.0
592.30426	8.4
635.24719	62.1
636.25525	7.2
636.34546	1.7
659.70917	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01718	0.7
61.98832	0.5
63.88716	0.1
70.71290	0.4
99.00888	0.3
119.05088	0.2
121.02947	0.9
136.90628	0.1
146.61656	0.2
147.04520	4.4
147.05655	0.2
154.67690	0.2
206.79338	0.1
243.47858	0.1
256.63394	0.1
300.16031	0.2
385.27850	0.2
427.28622	0.6
459.20596	0.4
517.28479	0.3
531.29529	0.2
549.30725	2.2
550.31171	0.3
591.22870	0.3
591.32129	0.7
607.25879	0.3
635.24371	1.2
636.25244	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01695	0.6
61.98828	1.4
67.32415	0.3
69.13628	2.7
72.66762	0.3
74.61591	0.3
93.69241	0.3
98.19855	0.6
99.04569	0.3
101.06079	3.7
121.02969	2.0
133.06641	0.6
147.04536	3.8
148.04825	1.4
149.05151	0.7
159.83615	0.3
161.06128	0.3
177.05571	0.3
215.10764	0.6
216.66508	0.4
259.09607	0.3
429.21835	0.4
455.41876	0.3
559.26276	1.1
591.22113	0.7
635.27386	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	635.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60720	0.8
59.01381	21.8
61.98829	11.2
66.32290	0.7
68.15767	0.8
71.61813	0.9
78.95932	1.0
85.33735	0.7
114.74331	0.9
121.02956	100.0
122.03285	2.6
128.05574	0.7
133.06595	0.9
145.06630	0.8
147.04524	2.3
148.04875	0.9
212.08395	1.8
227.10751	7.0
259.13370	8.7
379.15118	0.9
403.82941	0.8
436.44992	0.8
496.79471	0.9
549.28638	3.0
559.26459	0.8
563.26337	5.8
593.27527	54.6
594.27802	6.7
635.28571	99.6
636.28888	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	635.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43387	0.6
59.01380	18.6
61.98829	7.1
83.05042	0.9
85.02925	0.9
88.98775	0.7
98.20280	3.3
99.04538	1.3
101.06095	0.6
104.56675	0.6
119.05029	1.5
121.02959	85.2
122.03325	1.5
122.84222	0.6
147.04504	5.8
147.08136	0.7
148.04877	2.3
199.11351	0.9
211.13194	0.5
212.08380	0.7
227.10728	4.4
248.08438	2.6
249.09036	0.6
259.13348	0.8
275.10663	1.2
325.35229	0.7
517.26031	9.4
518.26398	0.9
543.24023	0.8
549.28564	1.6
561.24750	7.6
562.24805	0.8
575.29126	2.0
593.27521	42.1
594.28125	2.9
603.25897	1.7
635.28595	100.0
636.29034	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	635.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	25.0
71.54079	0.4
72.99307	4.4
81.03457	0.9
83.05016	0.5
85.02940	0.5
87.00874	13.4
92.45177	0.3
95.05026	0.3
96.70506	0.3
107.73205	0.3
119.08653	0.3
137.09731	0.4
147.08162	0.4
149.09692	0.8
151.11368	0.3
233.99648	0.3
238.36208	0.3
259.13345	0.6
272.81607	0.3
277.14407	1.6
278.15231	2.9
295.20602	0.5
297.39255	0.3
313.21753	1.1
321.22525	0.3
335.23712	0.6
336.06625	0.4
353.24939	1.1
355.22449	0.3
383.25723	0.4
385.24081	0.3
397.23859	0.7
409.23495	0.5
415.24985	1.0
427.24878	5.3
428.25223	0.4
429.22672	0.4
445.25916	11.3
446.26260	0.4
447.23886	0.4
469.25104	0.5
471.23978	0.4
487.26987	100.0
488.27319	9.6
489.24997	1.3
505.02652	0.3
531.26007	7.4
532.26337	0.8
549.26849	2.8
550.27649	0.5
591.28082	2.5
616.91321	0.3
635.27106	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03397	1.2
57.03445	3.9
59.01380	100.0
60.99303	2.5
61.02573	1.2
61.98826	8.6
65.72616	1.2
69.03448	3.7
69.30417	4.5
69.30846	6.3
71.01379	9.3
72.99315	2.0
73.02946	12.9
81.03461	3.0
83.01355	2.4
83.05003	1.5
85.02946	7.2
87.00901	3.4
89.02438	4.5
93.03457	2.9
95.05018	1.4
96.95467	1.2
96.96007	7.3
97.06571	1.6
99.04494	1.8
101.02448	6.3
103.04014	5.3
109.06580	1.8
113.02456	4.1
135.08134	5.7
137.06049	3.9
149.16058	1.2
169.15987	1.3
215.14400	2.8
255.02940	2.8
258.02850	1.4
265.09265	3.9
265.19592	2.4
281.19003	1.5
283.20782	1.8
284.03262	4.5
285.03870	2.3
291.21198	1.4
293.19089	6.8
307.10297	3.5
307.20673	1.9
309.22318	8.7
311.18387	8.2
323.20178	2.0
335.20157	4.7
351.23291	4.6
353.21194	38.2
354.21506	3.1
367.22736	2.4
369.22849	5.4
383.22275	4.6
395.22296	32.1
395.27115	1.2
396.22360	2.9
397.20090	12.4
411.22324	1.5
413.23315	61.8
414.23727	6.2
427.25067	6.2
429.22641	3.6
439.21301	13.0
440.21695	2.5
447.23584	2.0
453.22595	4.3
455.24393	38.7
456.24753	5.5
457.22305	80.5
458.22592	8.1
471.23926	11.0
473.20212	3.6
481.22403	2.8
487.26758	1.8
499.23441	20.5
500.23755	2.2
513.24933	8.5
515.22430	2.7
517.24292	11.1
518.24780	1.5
531.25763	6.5
557.24329	3.1
573.26855	2.5
575.24957	53.4
576.25427	7.0
591.30060	19.2
592.31067	1.9
635.15820	4.6
635.34155	11.2
636.34357	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61074	1.6
58.31025	1.5
59.01379	63.9
61.98831	18.4
64.10367	1.6
69.15508	13.8
82.05072	1.5
83.05021	1.9
85.38120	1.4
99.00867	2.5
99.04515	37.9
121.02061	2.1
121.02952	37.1
128.61267	1.6
135.04494	1.6
145.06592	2.1
147.04521	23.0
161.06055	2.4
171.04491	2.1
171.10315	7.5
200.26369	1.9
209.11832	61.4
210.12115	2.3
226.25591	1.8
227.12849	6.4
246.71371	1.6
284.16803	1.7
295.15414	2.5
390.70404	1.8
413.23212	5.7
413.62335	1.7
431.20081	2.9
449.25574	2.1
457.22260	2.2
475.26831	1.9
493.27948	1.8
521.25629	2.0
531.23730	3.4
539.26520	12.7
549.24365	8.1
550.25348	2.6
557.27618	17.1
561.24591	4.2
573.25085	2.0
585.24585	2.2
591.26190	8.9
593.23944	5.3
599.28583	100.0
600.28754	10.1
603.25714	13.7
635.27502	30.1
636.26489	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	635.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89264	2.5
57.03439	7.7
57.56823	2.4
58.53332	2.5
59.01381	100.0
61.98830	6.4
71.01379	3.4
72.99301	27.1
79.05518	8.4
81.03464	3.3
82.06566	2.9
83.05054	5.8
85.02960	3.2
86.79822	2.7
87.00879	89.3
97.06582	6.1
98.19806	3.4
109.06590	7.3
111.04521	9.5
116.92780	3.0
119.67044	2.5
121.06570	3.7
135.08112	3.0
147.04530	10.9
157.34346	2.5
169.23729	2.7
278.92078	2.6
313.21542	4.6
353.24768	5.9
487.27060	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	635.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85722	3.7
58.55841	3.6
59.01384	56.8
61.98834	100.0
70.01954	3.7
71.01377	6.2
71.52706	8.6
78.95898	7.2
80.09440	4.3
85.02955	5.2
93.03481	4.8
99.04517	25.9
101.02464	6.8
101.06068	24.0
111.83684	4.1
121.02976	27.8
147.04527	18.8
177.36728	4.0
221.15329	5.1
236.10616	7.5
251.36781	4.4
293.17664	7.1
353.43500	4.5
485.25903	5.2
599.28918	15.6
635.23761	23.8
636.26532	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	635.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27211	2.2
59.01378	64.7
60.28475	2.3
61.98829	100.0
69.13857	23.2
72.81415	2.2
91.82303	2.4
121.02950	62.5
123.04517	11.3
124.15362	2.2
145.02934	3.1
147.04532	6.9
148.04851	4.4
188.27374	2.3
227.84933	2.7
331.03720	2.5
432.56091	2.4
458.88034	2.6
497.41696	2.2
517.25806	3.8
543.09686	2.5
559.26526	2.8
561.24426	5.4
593.27673	21.4
603.26068	5.5
635.28461	45.7
636.28894	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	635.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24278	0.5
59.01380	1.8
61.44295	0.5
61.98829	92.2
62.98532	2.4
63.99256	14.7
71.53456	0.8
72.72442	0.6
75.00898	0.6
78.95909	1.4
82.50780	0.5
85.09732	0.7
98.21046	0.5
109.01830	0.6
110.55780	0.6
125.08565	0.6
125.29926	0.7
131.09503	0.5
147.04501	0.7
204.34409	0.6
255.23184	0.7
277.21881	0.7
294.89813	0.6
306.72491	0.6
406.02869	0.7
431.15027	1.8
432.15915	1.4
445.16382	1.4
446.17307	1.2
447.18079	1.3
473.19830	1.6
474.16901	3.9
475.17688	17.2
476.17841	1.7
489.19257	3.9
490.20148	0.9
505.19431	0.7
533.18219	12.2
534.18829	2.0
547.20038	0.7
556.19153	0.6
568.30371	0.6
635.25061	100.0
636.25397	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	635.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	7.2
59.01381	97.6
61.98824	2.3
62.53225	1.5
63.27147	1.7
63.76262	1.6
69.26296	13.5
71.01382	52.1
72.99290	4.0
73.02938	12.4
83.01396	6.1
85.02964	20.8
87.00874	5.7
89.02442	26.1
95.01392	3.8
96.04566	1.8
96.96025	15.4
97.02956	2.8
99.00861	4.1
99.04555	1.8
101.01804	2.3
101.02448	33.2
111.51331	1.6
113.02452	27.6
119.03503	11.3
123.00761	2.3
125.02468	3.2
129.01912	3.8
135.04482	2.0
143.03528	4.6
151.07658	2.5
152.08362	2.5
161.04610	4.3
169.51956	2.0
179.05606	2.5
195.13980	1.8
207.13899	3.9
214.96577	2.8
225.14958	22.8
265.09125	2.0
364.11887	2.0
369.19180	64.6
370.19528	4.7
387.20227	100.0
388.20581	7.9
429.21252	69.0
430.21631	4.8
439.46579	1.8
531.24463	58.4
532.24780	5.6
549.11884	2.2
549.25543	24.4
586.30658	1.9
591.27118	20.6
635.23383	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	635.25
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54629	0.4
59.01379	14.9
61.98833	6.3
67.76252	0.4
69.03490	0.5
71.01380	1.0
80.61839	0.5
81.03394	0.5
85.02938	0.6
87.49239	0.5
88.98821	1.0
97.06596	0.8
99.04524	1.2
101.02406	0.7
105.25352	0.6
107.05042	0.6
119.05021	1.2
121.02959	100.0
122.03304	1.9
125.05984	0.5
133.06602	2.3
137.51466	0.5
147.04549	5.1
156.47047	0.5
173.06168	0.9
173.09708	2.0
187.11145	0.6
213.09224	0.6
237.09216	0.9
248.46872	0.6
251.14265	0.7
263.10892	1.2
264.11246	0.5
277.12408	1.2
295.15448	1.5
316.98706	0.5
365.17621	0.8
409.20212	1.3
441.54269	0.5
443.57364	0.5
454.63309	0.6
495.24033	0.7
505.26044	4.3
513.22278	0.8
531.23846	12.6
532.24268	1.6
537.25177	1.0
549.24951	20.4
550.25226	1.4
573.24908	7.1
574.25226	0.9
575.22784	1.2
591.25995	30.4
592.26373	3.3
593.23804	9.5
594.24695	1.0
603.25659	0.9
617.23853	2.6
626.70490	0.6
629.30365	0.5
635.24933	60.2
636.25214	7.8
658.80804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40386	0.7
53.95183	0.8
55.30685	0.7
57.03444	8.1
59.01377	29.8
60.07103	0.7
61.98842	2.0
69.03455	1.1
71.01376	12.1
71.05043	1.0
72.01724	0.8
72.99324	2.3
73.02950	9.8
79.05549	1.3
81.03481	0.8
83.01404	2.4
85.02940	5.9
87.00900	1.8
88.27295	0.7
89.02470	2.4
95.01369	0.8
95.05028	0.7
96.96000	1.8
97.06579	0.7
98.19872	2.1
99.00877	14.5
99.04539	1.5
101.02431	7.4
103.04013	3.6
103.05539	2.5
111.04565	1.8
113.02441	3.3
115.42377	0.7
119.05089	1.3
119.08653	1.5
121.06593	8.1
135.04501	1.1
135.08145	1.7
147.04517	100.0
148.04878	2.2
149.06006	1.1
159.08072	1.0
161.04665	1.1
161.06044	1.2
163.07674	0.7
193.08675	2.5
197.09880	0.9
203.10707	1.0
209.19162	1.3
212.59050	0.7
261.12775	1.5
265.09225	1.8
276.24921	0.8
279.13849	1.1
279.23300	1.6
289.21649	1.3
301.86496	0.8
304.56213	0.9
305.21100	2.6
307.10251	2.5
307.22580	1.9
325.20181	0.6
325.23810	13.7
333.20703	1.2
349.98129	0.7
351.21808	5.4
353.21030	1.6
369.22629	3.2
374.61826	0.8
387.19852	1.7
387.24295	0.8
395.22043	1.1
396.59396	0.7
413.23242	1.2
438.22818	0.9
445.25095	1.2
455.23810	1.4
457.22052	2.6
471.23581	1.2
487.27029	16.9
488.27029	1.0
513.26178	0.9
517.22705	3.4
531.26398	1.4
547.30731	1.7
549.29010	3.8
563.26331	2.0
573.29291	4.8
575.24701	2.4
591.30176	77.4
592.30426	8.0
635.24646	55.1
635.32880	4.9
636.25122	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	635.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07886	0.7
57.03434	0.9
59.01381	56.3
60.14608	0.7
61.98833	19.9
66.55424	0.8
69.03454	0.9
70.42393	2.9
71.01394	1.5
72.99306	1.9
78.85249	0.7
81.03465	0.7
85.02962	2.4
87.00905	0.9
88.98812	2.6
89.02475	1.3
93.03453	1.2
95.05061	0.9
99.03946	0.9
99.04500	4.6
101.02439	2.2
101.06072	4.1
105.07156	0.8
108.82160	0.6
111.04555	0.8
119.05038	1.3
121.02959	100.0
122.03297	1.6
131.05014	1.4
133.06587	2.4
137.63579	0.7
137.89027	0.8
147.04526	16.6
148.04889	1.1
149.05968	0.8
152.99545	1.1
159.08203	0.9
161.06126	1.1
173.09627	2.3
174.48738	0.8
203.42128	0.9
209.11832	6.3
236.08218	0.8
263.10718	1.3
277.12155	1.2
291.13617	1.2
295.15448	1.2
309.18573	0.7
311.96283	0.8
409.20343	1.6
431.20673	0.8
460.07172	0.8
487.26868	0.9
505.25925	5.5
513.22412	1.4
531.23779	14.0
532.24347	1.4
537.24915	1.3
549.24976	20.4
550.25110	2.4
561.24640	1.2
573.24866	7.7
575.22626	0.8
591.25940	30.2
592.26685	4.0
593.23651	7.8
594.23889	1.9
599.27411	2.6
603.25696	3.2
617.23749	2.9
635.24713	56.0
636.25189	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	635.2496
Annotation	Chloramultilide D
Peak:m/z	Relative Intensity
53.48929	0.7
59.01379	20.1
61.98830	4.7
63.92374	0.7
71.01376	2.1
72.99304	1.0
74.85937	0.7
83.01394	0.9
85.02943	2.4
85.79926	0.6
87.00881	0.8
88.98832	0.9
89.02437	1.2
93.03452	1.2
98.00114	1.0
98.20698	1.1
99.00900	2.1
99.04522	1.4
104.70321	0.7
108.02200	0.7
109.06611	1.1
111.04523	1.7
113.02470	1.0
113.30122	0.7
119.05025	2.8
121.02953	100.0
122.03288	1.6
124.70232	0.8
131.05025	1.2
133.06580	2.9
135.04543	1.3
145.06573	0.9
147.04509	23.9
147.08058	0.7
159.08191	1.0
161.05949	0.9
161.09738	2.3
165.05569	0.7
173.09706	2.9
183.07959	0.7
187.11310	1.0
200.08424	0.8
271.29221	0.7
487.25812	0.8
505.25900	6.0
506.25452	0.7
531.23547	1.7
547.26685	2.4
549.24359	1.8
561.24609	1.3
573.25006	1.7
591.25873	17.7
592.26270	1.5
593.23749	0.9
603.25983	4.1
635.24829	79.5
636.24976	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	633.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
59.01380	100.0
60.01707	1.0
61.98831	7.5
69.03453	0.8
71.01405	2.5
72.99313	1.0
73.02953	5.3
85.02953	6.6
87.00870	1.4
87.04518	4.9
88.98810	1.3
93.03472	0.8
96.96009	0.8
98.20502	0.9
99.00894	2.3
99.04533	7.0
101.02481	1.0
101.06109	2.9
107.05013	0.8
111.04568	1.3
113.06107	0.9
120.19425	0.8
121.02971	2.6
125.02473	1.5
133.06615	1.1
135.04581	1.2
137.06079	0.9
147.04529	9.3
155.03462	1.2
163.07600	1.0
171.04491	1.4
171.10268	1.8
177.05627	1.0
191.10890	1.4
193.08734	1.2
241.53064	0.7
298.27161	0.7
330.44983	0.7
423.17551	0.8
427.21570	1.0
429.26956	1.9
443.27975	4.7
447.23096	1.0
453.19510	1.0
471.27682	1.5
485.29080	51.6
486.29532	4.3
515.26569	2.4
529.27814	2.1
531.25238	0.9
547.28845	1.3
573.26685	1.3
589.30664	1.2
591.28271	1.1
597.26910	1.1
601.24103	3.8
615.27972	2.1
618.58911	0.8
633.27051	24.4
634.28204	2.4
659.12329	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.3
61.98829	100.0
94.04856	0.1
97.25566	0.1
101.06108	0.3
102.06470	0.1
103.04765	0.1
106.68367	0.1
110.75652	0.1
121.02966	0.3
147.04546	0.1
198.08295	0.1
223.56050	0.1
228.69930	0.1
252.54767	0.1
301.22293	0.1
353.65442	0.1
572.26843	0.1
648.36182	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	633.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88573	0.9
56.24620	0.8
57.03436	3.3
59.01380	50.3
60.99280	1.2
61.98821	6.7
67.92897	0.9
69.03442	1.1
69.27634	5.6
69.28043	2.5
71.01382	7.5
72.99284	2.1
73.02948	9.6
75.00875	1.3
76.11437	1.1
79.05550	1.5
83.01387	1.2
83.05022	3.1
85.02947	18.3
87.00893	1.5
87.04510	1.1
88.98783	1.3
89.02438	1.3
95.05033	1.1
96.96003	6.5
97.02931	2.8
97.06596	1.4
98.20262	5.0
99.00887	2.8
99.04517	40.5
101.02430	3.6
103.03991	2.7
106.06638	1.1
107.05107	1.0
111.04516	2.1
113.02418	1.3
115.04006	1.3
120.45048	1.0
121.06586	1.9
122.06132	3.2
123.04533	1.2
125.06024	2.0
127.03962	1.1
129.02003	1.7
131.58589	0.9
133.06619	1.2
133.16322	0.9
135.08145	2.1
136.24690	1.0
137.06053	1.4
147.08096	1.4
149.06029	2.1
151.04008	1.3
161.06001	1.1
161.09686	2.1
163.07671	1.0
165.05531	1.0
171.10294	0.9
187.11255	1.7
193.05078	1.5
217.12334	1.9
222.09230	1.3
257.12970	2.3
265.05316	1.4
265.09219	2.1
281.07666	1.2
297.07632	2.4
307.10367	1.6
309.07639	6.4
321.07550	1.7
322.08508	1.5
323.09094	1.6
324.10147	1.3
325.07138	8.4
336.10043	2.0
337.07104	12.0
337.10522	1.3
340.09607	7.1
347.22232	1.2
352.09613	5.4
355.11859	17.7
367.11801	22.5
368.12354	1.6
385.22025	1.5
397.94189	1.2
415.20682	1.1
429.22632	2.1
431.20319	1.2
447.23984	1.5
455.24585	1.9
473.25488	5.9
485.25406	11.6
491.19043	6.0
497.25723	1.6
511.27161	2.2
515.26123	1.1
529.25409	3.6
531.26208	3.3
533.27490	4.3
555.25952	2.8
557.27539	1.3
559.25397	1.6
571.25647	6.0
573.26740	4.1
575.28564	1.7
583.25751	1.7
589.33490	7.2
590.34290	1.2
591.27576	2.9
601.24274	4.6
615.27576	6.0
630.74359	1.1
633.29205	100.0
634.29449	8.6
654.96021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.1
61.98835	6.8
69.03448	0.6
71.01395	0.7
79.05512	0.6
95.05038	0.5
97.06619	0.5
98.19872	1.0
98.20571	2.0
99.04494	2.3
103.05518	2.3
105.07095	1.0
108.90540	0.5
114.38180	0.4
115.05518	0.6
119.05028	1.9
121.03021	0.5
121.06594	0.6
123.04451	0.6
131.04982	0.5
133.06593	7.2
147.04520	100.0
148.04837	2.5
149.06137	0.7
159.08168	0.6
161.06090	1.7
161.09702	0.9
171.08067	0.6
171.10252	0.5
173.09727	1.0
183.08261	0.6
185.09804	0.8
187.11305	1.9
201.27641	0.4
209.11867	0.4
213.09216	0.7
347.20139	0.8
353.17542	0.6
361.17953	1.7
391.19089	2.9
409.20056	1.1
427.21240	7.3
428.21841	0.5
501.22845	0.8
539.24335	3.9
557.25385	20.6
558.25635	2.7
573.28760	4.6
589.28101	1.2
601.24530	1.2
633.26996	52.4
634.27515	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	633.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.6
58.00558	0.5
59.01377	16.6
61.93071	0.5
61.98820	0.6
67.31358	0.6
71.01407	1.0
71.01995	1.2
72.71996	0.6
73.02939	3.0
73.87977	0.5
75.00845	0.9
81.03474	0.9
83.05012	1.0
87.04518	1.5
97.06577	0.7
99.04515	20.1
111.04528	0.7
118.49593	0.6
127.03984	0.7
137.06046	0.7
147.04529	1.6
147.08102	0.8
161.09709	0.8
187.11218	0.6
189.12817	0.5
191.10864	0.7
193.08626	0.5
206.37822	0.6
217.12321	3.9
229.11845	0.5
239.01297	0.6
347.22104	0.7
373.19775	0.6
403.24915	1.4
405.22485	0.8
473.25330	2.4
511.27234	0.9
513.24811	0.9
515.26434	1.0
517.99487	0.7
529.28015	26.3
530.28204	3.4
531.25946	8.8
533.27466	2.2
571.29169	2.2
573.27106	1.8
589.30884	1.0
591.28210	5.0
615.27966	0.9
633.29114	100.0
634.29462	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	633.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.3
61.98832	1.2
65.84814	0.3
68.99830	0.5
71.01383	0.5
71.53844	0.4
73.22481	0.3
79.05538	0.4
83.05039	0.5
85.02940	0.5
87.49618	0.3
88.98817	0.3
90.33675	0.3
93.03465	0.7
99.04504	1.6
103.05544	3.7
105.07112	0.8
107.05032	0.5
111.04511	0.6
115.05524	0.3
119.05016	1.4
121.02988	0.4
121.06612	0.8
121.49113	0.3
125.06054	0.5
131.05002	0.8
133.06595	6.4
135.08131	0.4
138.59846	0.4
145.06567	0.6
147.04518	100.0
148.04845	2.5
149.06093	0.9
156.05769	0.3
157.06563	0.6
159.08105	0.6
161.06055	1.1
161.09703	1.0
163.07600	0.4
170.07393	0.4
171.02618	0.3
171.04530	1.2
171.08118	0.5
173.06165	0.6
173.09703	1.2
175.07623	0.4
183.08206	0.5
184.05331	0.8
187.11253	1.8
189.08965	0.4
199.07605	0.6
201.09070	0.4
211.07623	0.4
213.09256	0.8
225.09184	0.7
249.12718	0.4
287.14261	0.4
347.20044	0.5
353.17416	0.4
361.18103	1.2
391.19247	3.0
409.19907	1.7
427.21194	7.7
439.21103	2.2
443.18790	0.4
457.22391	6.0
458.22647	0.7
485.29413	0.4
499.23370	0.9
501.22693	0.9
523.23822	0.4
529.26465	0.4
539.24371	3.0
541.24420	0.6
542.24762	0.4
557.25391	21.0
558.25775	2.0
589.28015	1.3
601.24023	1.6
605.27301	0.6
633.26990	50.5
634.27350	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	633.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	0.7
59.01377	6.6
61.98840	3.4
67.77590	0.6
67.99014	0.5
69.03461	1.4
71.01382	1.7
71.83076	0.5
79.05540	1.7
79.56650	0.6
81.03448	0.9
83.05034	0.7
85.02962	1.8
87.00902	0.8
87.04519	1.1
88.98799	0.9
95.05036	1.6
97.06590	4.7
98.00102	3.4
99.04518	1.9
103.05550	2.6
107.05038	1.6
109.06538	1.4
111.04504	0.8
119.05029	2.7
121.02965	3.8
121.06624	1.2
123.04571	1.0
124.05358	0.9
125.06103	1.8
126.06604	0.6
129.07076	0.6
133.06558	0.7
133.10239	1.3
135.04514	1.4
135.64250	0.6
141.07114	15.6
142.07521	0.8
145.06584	0.7
147.04524	84.0
147.08160	1.7
148.04887	2.2
149.06116	0.6
155.08653	6.4
156.05815	2.3
157.06580	4.0
161.06024	0.8
161.09747	0.9
163.03978	0.7
167.08646	1.5
171.04539	1.1
171.10367	1.1
175.11124	0.9
183.08060	0.7
184.05293	15.5
185.06076	5.3
187.11276	1.2
209.09749	0.8
211.11267	1.0
213.09247	1.1
218.10931	0.7
220.62500	0.6
233.09648	0.8
235.11281	1.1
247.14940	2.2
251.11031	0.7
257.13394	0.8
259.15005	0.8
261.12793	1.0
263.10910	0.7
273.16510	7.4
274.16879	0.7
287.18008	1.0
289.15994	1.9
291.13913	0.8
317.15494	0.9
356.69113	0.6
399.23065	1.9
409.20120	1.0
427.20981	0.8
429.18774	1.0
453.18610	0.7
501.29962	1.8
503.23383	1.3
508.23636	0.6
513.26495	24.3
514.26746	2.5
527.27832	1.0
529.26178	4.4
531.27679	0.6
539.24384	3.2
545.29211	6.2
557.25391	22.3
558.26044	1.4
559.23755	0.9
589.27960	2.4
601.24475	23.8
602.24628	3.1
633.27002	100.0
634.27313	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
65.65404	0.8
70.06627	0.8
97.06583	1.9
98.19857	1.8
103.05531	5.0
105.07090	1.1
107.04986	1.5
115.05514	1.1
119.05025	2.6
121.06579	1.3
125.07854	0.9
131.05014	3.6
133.06595	11.5
141.07086	2.9
143.05006	0.9
146.17499	0.9
147.04521	100.0
148.04858	3.2
149.06026	1.3
157.06596	1.8
161.06084	9.6
161.09758	1.3
171.04503	1.6
184.05328	1.1
185.06093	1.0
185.09685	1.0
187.11288	3.0
213.09398	1.1
247.61996	0.8
273.16443	1.1
317.42691	0.8
335.16379	1.0
361.18207	1.3
409.20258	1.9
427.21198	13.3
445.22290	4.3
513.26654	5.1
514.25903	1.0
515.24054	1.2
529.25580	1.1
539.24146	1.8
545.29095	1.8
557.25409	20.2
558.25934	2.2
589.28278	6.8
620.94196	1.0
633.26996	78.6
634.27319	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	633.2698
Annotation	Shizukaol C
Peak:m/z	Relative Intensity
59.01384	3.8
61.98847	0.9
68.99835	0.4
69.79540	1.8
71.01369	0.7
71.35524	0.4
72.99326	0.7
79.05518	0.8
81.03471	0.6
83.05038	1.0
85.02952	0.6
87.00867	2.6
93.03451	0.6
95.05054	1.0
97.02957	0.4
97.06596	0.9
98.20026	0.5
99.04530	1.2
103.05521	4.0
105.07106	1.1
107.05029	0.7
109.81470	0.4
111.04525	0.8
113.24652	0.4
115.05518	0.8
117.07101	1.1
118.37282	0.4
119.05022	2.3
121.02959	0.9
121.06554	0.9
123.04556	0.4
125.06088	1.1
131.05020	3.2
133.06599	11.6
135.04524	0.4
135.08110	0.8
137.06120	0.4
141.07079	2.4
143.05067	0.6
143.08696	0.5
145.06538	1.1
147.04520	100.0
148.04868	2.9
149.06067	1.2
157.06641	0.9
159.08185	1.0
161.04808	0.7
161.06079	10.5
161.09676	1.3
162.06470	0.5
163.07597	0.4
171.04498	3.1
171.08151	0.4
173.06020	0.4
173.09671	1.3
183.08192	0.5
184.05281	0.7
185.05957	0.4
185.09734	0.7
187.07655	0.4
187.11293	3.0
189.09222	0.7
189.12788	0.8
193.08755	0.4
197.09708	0.4
197.64909	0.4
199.07704	0.7
201.91826	0.4
211.07639	0.6
212.08330	0.4
213.09215	1.7
215.07103	0.4
273.16449	0.7
278.15402	0.4
283.59589	0.4
291.14365	0.4
291.17380	0.5
317.15344	0.4
317.19156	0.4
335.16422	0.6
353.17511	0.7
355.18893	0.7
357.16324	0.4
361.17996	0.9
379.19281	0.6
391.19131	1.5
401.23151	0.6
409.20117	1.7
425.20490	0.4
427.21234	13.3
428.21558	0.8
443.18481	0.6
445.22266	5.4
487.26920	1.1
497.28625	0.8
513.26569	5.8
514.27020	0.8
529.26782	0.5
539.24255	2.9
545.28992	0.8
557.25409	21.4
558.25769	3.1
589.29370	15.4
590.30188	1.9
601.24408	1.7
605.27814	1.0
608.61633	0.4
633.27014	82.1
634.27380	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	633.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46861	0.7
55.01876	1.1
57.03435	1.4
57.48347	0.7
59.01375	11.4
61.98829	1.3
62.48345	0.6
67.01880	1.3
68.99824	1.5
69.03456	2.1
71.01382	13.4
72.99314	8.2
73.02933	1.3
75.00883	3.0
79.05523	2.4
81.03455	2.7
83.01411	1.2
83.05004	3.6
85.02947	12.2
87.00877	5.5
89.02450	0.8
93.03455	5.2
95.01398	1.2
95.05016	4.8
96.96004	1.7
97.02949	4.7
97.06596	1.1
98.20278	4.6
99.00883	31.8
99.04518	100.0
100.01190	0.7
100.04846	2.1
101.02439	1.4
103.00347	1.0
103.03989	1.0
105.07121	0.9
107.05020	5.4
108.02164	1.6
109.02977	5.4
109.06614	1.9
111.00873	1.3
111.04524	12.1
113.02457	3.8
115.00362	1.1
117.07112	1.6
119.05016	2.3
121.02963	10.3
121.06598	6.9
123.04530	10.7
123.08178	1.3
125.02450	4.5
125.06072	1.7
127.04023	3.8
129.07094	1.0
131.05043	1.7
133.06622	3.1
134.03786	1.4
135.04535	6.1
135.08182	0.9
137.02432	2.7
137.06119	4.3
139.04030	3.3
139.07710	0.7
143.04961	1.0
143.08656	1.2
145.06560	1.7
147.04512	2.0
147.08118	1.5
149.02449	1.6
149.06082	10.3
150.03224	2.6
151.04027	7.3
152.42142	0.7
153.01915	1.0
153.05585	2.2
157.06534	1.6
158.03763	1.2
159.04546	1.7
159.08154	2.5
161.06102	5.4
161.09743	2.8
163.04008	1.0
163.07689	0.8
165.05585	6.0
167.03481	4.5
167.07159	1.1
169.10184	1.7
171.08130	2.8
173.06117	1.3
173.09644	1.6
175.03989	3.6
175.07623	2.3
176.04811	5.0
177.05571	7.8
177.09256	2.3
179.03508	1.4
179.07179	2.5
185.09642	1.1
187.07628	2.1
187.11253	6.2
189.09196	1.5
191.07065	0.8
193.05046	12.4
194.05846	10.3
195.06567	2.3
199.07625	2.2
201.09174	1.2
203.07120	3.6
205.08743	5.9
211.06038	7.7
211.07684	1.1
215.10757	1.4
217.08665	2.1
221.08157	1.4
223.06055	2.6
229.08803	1.2
231.10226	2.1
241.08748	0.9
261.07690	0.8
279.12430	1.4
285.11298	0.8
297.07672	0.8
297.10965	1.1
325.07120	0.8
333.09787	1.2
351.14438	0.9
355.11780	1.7
359.11377	1.1
367.11710	2.7
371.14807	1.1
385.16806	1.2
411.14462	2.9
419.15292	0.9
429.15445	5.3
437.15897	5.2
447.16492	4.1
455.17117	12.5
473.18161	16.4
474.18723	2.0
485.25333	1.6
491.19202	95.9
492.19531	9.4
511.26459	1.3
517.12018	0.7
519.18835	1.7
533.27612	1.2
537.21179	1.4
555.23309	0.9
573.23767	3.2
601.22803	29.7
602.23334	2.7
615.27740	1.4
633.29327	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	633.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25258	1.3
55.01896	1.7
55.07394	1.6
57.03426	2.0
58.16602	1.4
59.01381	100.0
61.98825	5.2
63.24438	1.5
68.99539	2.0
69.03448	2.8
71.01383	20.2
71.18561	1.5
72.99322	7.4
73.02951	4.1
74.28003	1.4
75.00864	4.6
79.05509	1.9
81.03450	3.1
83.01376	1.7
83.05021	5.1
85.02948	25.1
87.00871	5.9
89.02460	5.3
93.03466	1.8
95.05038	4.7
96.96003	5.7
97.02961	4.0
99.00883	16.3
99.04517	69.5
100.04846	1.8
101.02441	7.0
103.03997	3.4
107.05046	5.0
109.02946	2.6
111.04523	13.1
112.98621	1.6
113.02486	3.8
119.03464	2.1
119.05003	2.0
121.02972	5.8
121.06571	4.4
123.04530	7.1
125.02466	3.2
125.06015	2.2
127.04031	3.9
135.04504	4.4
135.08264	1.6
136.75014	1.5
137.02460	2.7
137.06097	1.8
139.04027	2.8
145.06625	2.0
147.04480	2.6
149.06071	4.9
151.03996	5.4
152.04820	1.9
153.05495	2.7
161.06056	4.8
161.09496	1.6
165.05602	2.0
171.10272	3.9
175.07640	2.7
176.04771	3.5
177.05554	4.7
185.05975	1.8
187.11253	2.1
193.05061	9.7
194.05786	5.1
195.06476	1.9
211.05986	3.1
307.10272	1.8
337.07297	1.9
340.09567	1.9
341.23056	1.9
355.11630	2.3
362.37070	1.6
367.11923	2.4
429.22372	1.6
433.22522	1.8
447.16629	2.2
453.25653	3.3
455.16660	2.7
457.25372	1.9
473.18069	8.6
485.25476	2.4
491.19180	46.0
492.19574	3.8
497.25180	2.1
503.26620	1.6
511.26898	1.8
515.26563	2.3
523.22949	2.7
529.29370	1.9
533.27460	6.3
555.26184	12.5
557.27100	4.1
571.26068	2.8
573.27283	3.1
575.28577	2.8
589.25281	2.4
589.32312	5.9
598.27527	1.8
601.22797	15.0
602.22827	3.0
615.27582	6.5
633.29932	38.8
634.30713	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	633.2357
Annotation	Triptofordin D 1
Peak:m/z	Relative Intensity
50.59143	0.7
59.01379	9.2
61.46429	0.7
61.98834	7.5
65.02525	0.8
68.20415	0.8
71.01376	5.1
73.02947	1.0
79.05515	1.6
83.05022	1.6
99.00871	16.0
103.05530	1.9
113.06070	1.6
119.05012	2.8
121.02921	1.5
121.06578	3.1
135.04489	2.3
147.04520	83.3
148.04851	12.2
149.05026	2.1
149.06129	1.3
161.06053	1.3
164.04910	1.1
171.10220	3.5
188.77089	0.8
199.07472	0.8
211.07729	1.2
227.10783	3.2
255.10065	1.6
260.16351	0.7
283.09814	1.3
294.08990	1.1
343.11743	1.8
371.11270	1.0
389.12408	6.9
457.18439	1.6
485.18170	5.8
515.21094	1.1
533.21326	1.6
539.49792	0.9
545.21753	1.0
553.22260	0.9
571.23822	1.7
572.27185	4.2
573.27637	8.0
615.22278	1.8
633.23315	100.0
634.23859	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69189	0.9
55.01864	1.5
56.00288	0.9
57.03438	3.5
59.01379	26.4
61.98823	6.5
67.01884	1.4
68.99823	1.7
69.03458	13.7
69.21078	9.4
71.01380	15.3
71.05018	2.8
72.99303	9.9
73.02943	3.2
75.00867	3.6
76.74379	1.0
79.05534	1.9
81.03449	2.0
81.40301	1.1
83.01389	1.8
83.05025	5.1
85.02948	23.8
85.47907	1.0
87.00868	4.8
88.98798	1.0
89.02444	2.3
93.03448	4.1
95.01382	2.2
95.05024	4.4
96.76237	1.2
96.95998	5.7
97.02948	51.7
97.06584	1.4
98.20686	2.1
98.39138	0.9
99.00874	41.2
99.04504	15.5
101.02425	3.5
103.04017	1.9
105.07107	1.1
107.05011	4.1
108.02087	1.2
109.02947	5.8
109.06593	2.2
111.04507	9.6
111.95087	1.0
113.02455	3.9
115.04008	50.2
119.05000	1.9
121.02961	9.8
121.06583	3.9
123.04510	10.6
125.02431	4.9
126.39305	1.1
127.03996	5.0
131.05037	1.7
135.04515	3.0
135.08127	1.7
137.02435	1.8
137.06076	3.8
139.04008	1.4
139.07628	1.1
141.05498	1.9
147.04500	1.9
149.06100	8.5
151.03961	4.0
153.05569	1.4
161.06036	1.7
165.05574	5.5
167.03514	3.2
171.10257	1.3
175.03989	2.3
175.07634	1.7
175.11082	0.9
176.04765	3.3
177.05540	2.2
193.05035	11.5
194.05734	1.1
195.06586	1.5
196.66208	1.0
203.07071	1.3
211.06073	5.4
215.10744	5.9
223.26851	1.2
233.11690	1.3
243.10266	1.2
273.66736	1.1
323.22742	1.3
341.23453	1.8
387.18039	3.3
413.16058	1.6
415.20929	1.4
427.17276	1.4
431.16776	1.6
439.17664	3.6
443.24496	1.7
457.18707	4.4
459.20416	2.3
475.19644	1.3
475.27148	1.4
485.25565	8.5
497.25186	3.2
511.23233	1.3
529.22968	1.4
529.30829	1.3
533.27673	10.1
534.27655	1.5
537.24603	1.2
547.24701	2.0
547.32001	1.4
549.23218	1.5
555.22681	4.4
571.22437	1.4
573.23590	1.4
575.28528	2.3
583.22998	1.2
589.32666	14.6
591.28076	1.4
601.22852	100.0
602.23181	12.6
615.28137	2.2
633.27789	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42138	0.7
57.03449	1.2
59.01381	29.6
61.98824	2.5
71.01386	4.3
72.99314	1.5
73.02950	2.0
75.00850	0.9
79.05527	0.8
83.05022	2.7
84.45343	0.8
85.02943	4.8
88.98808	1.4
89.02431	3.8
91.81001	0.8
97.02951	2.6
99.00881	1.6
99.04522	6.2
101.02426	3.3
103.04023	2.0
106.06599	1.1
113.02458	1.4
115.03982	2.8
119.03513	0.9
121.02984	1.0
122.06141	1.7
129.01941	2.2
135.08096	1.1
148.04068	0.8
149.09644	1.1
149.82523	0.8
150.05611	1.1
151.04077	0.9
171.10298	1.0
187.11295	0.9
221.05992	1.0
233.06050	2.0
235.07474	1.0
237.05565	1.6
249.05597	2.0
250.06369	1.7
251.03271	1.3
257.12943	1.7
259.09744	1.8
259.52362	0.8
261.05600	1.3
265.05099	6.1
265.08835	3.8
266.05792	1.8
268.25894	1.1
269.08133	1.1
277.05157	1.2
279.06821	1.3
281.08301	3.9
292.07309	1.4
293.04846	0.8
293.08240	2.1
296.10477	2.4
297.07697	10.1
307.06000	0.9
308.06860	3.5
309.07712	29.1
310.07941	1.4
313.21854	1.2
320.06882	1.3
321.07639	10.8
322.08316	4.8
323.09222	7.3
324.06564	0.9
324.09833	4.1
325.07172	37.2
326.07520	2.1
335.09201	1.9
336.10077	8.7
337.07172	49.5
338.07477	2.7
340.09515	32.5
341.09717	1.9
351.08694	6.3
351.23007	1.1
352.05350	1.6
352.09491	23.0
353.09921	1.5
355.11868	87.3
356.12082	5.5
367.11847	100.0
368.12173	6.2
369.24243	1.2
379.71713	0.8
385.22620	1.1
485.25433	27.5
486.26071	1.7
529.24097	8.0
533.27765	2.5
547.25098	1.1
571.26025	4.6
573.26733	1.5
589.25415	1.5
601.22821	4.8
615.26410	1.3
633.29535	8.2
645.07465	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.2
60.01703	1.3
61.01813	1.2
61.98828	100.0
62.02149	0.5
66.24568	0.5
71.52530	0.6
73.02927	0.5
76.17683	0.4
77.39734	0.4
99.00900	0.7
99.92562	0.6
102.67463	0.4
108.70255	0.5
116.92847	3.7
117.92841	1.0
139.73445	0.4
147.04503	4.8
152.99562	0.6
286.29373	0.4
374.66095	0.5
434.43970	0.4
456.03134	0.5
499.86877	0.5
502.30710	1.6
582.25336	0.4
603.34204	0.5
632.30078	1.5
633.23145	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	632.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.9
61.98830	100.0
67.59686	0.2
71.52523	0.3
75.67800	0.2
83.05050	0.3
85.02985	0.4
87.04510	1.2
88.04859	0.3
88.98798	0.3
99.04514	0.4
101.35805	0.2
119.31010	0.2
121.02989	0.2
147.04527	4.2
148.04889	0.9
171.10388	0.3
182.26392	0.3
329.89685	0.2
442.13605	0.2
528.26855	0.4
573.29120	0.3
589.28406	0.4
590.28510	2.1
632.30597	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.9
61.98830	100.0
67.59686	0.2
71.52523	0.3
75.67800	0.2
83.05050	0.3
85.02985	0.4
87.04510	1.2
88.04859	0.3
88.98798	0.3
99.04514	0.4
101.35805	0.2
119.31010	0.2
121.02989	0.2
147.04527	4.2
148.04889	0.9
171.10388	0.3
182.26392	0.3
329.89685	0.2
442.13605	0.2
528.26855	0.4
573.29120	0.3
589.28406	0.4
590.28510	2.1
632.30597	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32346	0.1
55.95853	0.1
58.48921	0.1
59.01379	0.2
61.98829	100.0
66.15251	0.1
67.44944	0.1
71.99902	0.1
79.63385	0.1
85.28398	0.1
99.04529	0.3
100.04866	0.2
115.51807	0.1
126.33253	0.1
127.59426	0.1
186.23042	0.1
202.28247	0.1
217.78987	0.1
274.86563	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	631.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.0
57.03435	3.0
59.01379	49.3
60.01710	2.0
61.98831	2.1
64.85315	1.3
69.03451	7.3
71.01376	4.6
71.54090	1.6
72.99347	1.4
79.05524	2.9
81.03436	1.7
83.01392	2.6
83.05017	5.5
83.72491	1.4
85.02950	55.4
86.03269	4.5
95.05026	1.5
97.06535	1.5
98.00070	1.9
99.00880	11.9
99.04515	79.6
100.04831	2.2
101.02469	2.8
107.05016	5.8
111.04507	2.9
121.02937	1.5
122.03728	3.1
123.08149	1.5
130.69551	1.5
133.06636	1.8
135.04501	2.9
135.08154	3.0
147.08144	2.7
157.01695	1.5
159.08105	2.7
163.07616	2.4
167.07068	1.5
173.09676	2.2
175.11264	1.5
199.07613	2.2
201.11308	4.4
211.11397	1.9
211.13350	4.5
215.10753	2.6
227.10785	1.7
255.91199	1.5
295.15479	1.5
296.72098	1.8
333.31509	1.5
427.21082	4.0
431.24173	2.1
439.21146	2.1
441.22888	2.3
445.22305	3.2
455.24164	1.8
459.23630	7.5
481.22205	1.9
495.23605	2.7
513.28247	6.3
531.22198	8.2
537.25305	2.0
546.27466	1.6
554.24506	1.9
555.25513	11.9
557.27551	100.0
558.27679	8.2
569.28583	2.0
571.25482	4.8
581.25018	2.3
587.28156	3.9
595.25317	1.7
599.28204	18.8
600.27905	2.2
613.26300	3.4
631.27356	80.5
632.27539	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	631.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	31.5
60.01700	1.0
61.98830	20.9
69.25145	1.6
69.25548	5.3
70.38775	0.8
71.01357	0.9
79.05518	1.6
85.02955	1.0
87.04517	62.2
92.68729	0.8
93.63457	0.7
94.41734	0.7
99.04532	3.3
125.06116	1.0
147.04504	10.2
185.09703	0.9
186.06798	0.8
208.59274	0.9
283.13281	0.8
289.14362	1.3
309.14844	3.8
327.15793	1.2
441.22693	2.8
443.20929	1.0
459.23544	1.2
529.28033	100.0
530.28381	12.9
539.26630	4.1
571.29041	10.1
572.29755	1.4
631.28522	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	631.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97346	0.4
59.01378	100.0
60.01725	0.7
61.69157	0.4
61.85718	0.5
61.98829	4.9
71.01379	0.5
71.92484	0.5
79.91859	0.4
85.02951	0.9
85.99404	0.5
87.04521	1.5
94.62891	0.4
99.04546	2.1
127.04102	0.8
135.04573	1.5
145.02986	1.5
147.04512	14.1
273.05450	0.6
320.31564	0.4
323.16690	1.5
347.94760	0.4
410.04083	0.5
451.21481	1.1
479.21024	1.7
497.21976	5.0
512.17743	0.6
515.22650	0.9
529.28156	3.4
539.22766	4.7
631.29810	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	631.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.8
61.98827	1.5
65.86516	0.2
65.93128	0.2
71.52586	0.2
71.60437	0.2
73.04848	0.2
73.86404	0.2
103.05540	1.1
119.05031	1.0
147.04520	100.0
148.04846	2.5
157.98384	0.2
212.08530	0.2
227.10764	2.2
280.85983	0.2
375.19519	0.4
441.22723	2.2
442.23026	0.2
450.67392	0.2
571.26965	31.7
572.27374	3.2
589.28064	3.7
590.28687	0.4
631.28998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.1
58.24366	0.9
59.01376	19.3
61.98827	2.8
64.58761	0.9
67.11387	0.9
69.03448	1.2
71.01391	2.9
79.05531	1.5
83.05018	4.3
85.02951	30.7
93.03484	1.6
99.00894	3.8
99.04519	81.9
101.02450	1.3
101.06080	1.2
109.02899	1.0
109.06622	1.0
121.03011	1.2
125.06068	1.3
135.04553	1.8
135.08170	1.5
139.07571	1.2
142.12474	0.8
147.08200	1.5
157.06590	1.0
161.09673	1.8
163.07643	1.7
163.11281	1.0
165.14154	0.9
171.10298	0.9
175.11264	0.9
183.13986	1.0
185.11899	1.2
197.85725	1.0
201.09612	1.2
201.11304	6.6
209.11722	1.3
211.13403	6.6
213.09154	1.2
215.10629	0.9
253.09383	1.1
255.14020	0.9
281.11792	1.1
295.15515	1.1
321.18558	1.4
325.14545	1.9
341.17322	0.9
343.15543	1.9
357.20602	2.1
391.18936	1.0
409.20123	1.7
413.23318	1.6
421.20123	1.1
439.21277	2.9
441.22653	0.9
459.23727	5.9
469.26071	1.1
481.22116	1.4
495.23187	4.4
501.24661	2.0
503.24106	1.2
513.25305	3.7
513.28033	3.5
520.74231	0.9
521.25317	1.7
527.26483	2.7
539.22650	2.4
555.25751	8.2
556.26978	1.2
557.27551	100.0
558.27911	8.7
569.27777	1.4
581.24390	3.6
587.28778	6.3
589.29883	5.3
599.25317	22.0
600.25403	1.3
613.26331	5.2
631.27472	16.5
632.27679	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2763
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
51.69512	0.9
57.03428	1.6
59.01379	58.1
60.01682	1.1
61.98832	5.5
68.99796	1.4
71.01374	4.1
71.04996	1.0
81.03413	1.4
83.04984	3.5
84.05322	1.3
85.02953	14.9
87.04514	100.0
88.04813	1.5
93.03471	6.1
94.03745	2.0
95.04989	1.9
96.95963	1.9
99.00832	1.8
99.04520	25.4
101.02391	1.8
101.06017	3.8
103.03949	1.8
107.04977	3.1
109.02899	2.4
109.06540	1.5
111.04522	9.7
112.04803	2.4
113.02383	0.9
117.57323	0.8
119.04979	0.8
121.02951	4.5
121.06499	2.0
125.05998	2.5
127.03977	1.6
133.06543	2.1
135.04463	3.5
135.08011	1.3
137.05977	0.9
147.08105	1.0
149.05989	1.0
149.09673	0.9
151.07480	0.9
153.05557	9.7
154.05945	4.4
155.06006	1.3
161.05948	1.1
167.07005	1.5
185.09288	1.0
185.11678	2.0
189.09084	1.6
193.17451	1.0
209.11700	2.5
211.13174	1.2
229.53503	0.9
255.52785	1.0
264.52798	0.9
379.18814	1.7
381.16541	0.9
383.24216	2.1
396.99179	0.9
397.25827	1.6
425.19116	2.4
439.20999	1.8
455.20367	1.3
469.26379	6.5
469.98816	1.0
471.19711	1.0
473.21198	1.3
474.78983	0.8
483.26944	1.1
485.21704	9.4
503.22211	0.9
509.24738	2.8
513.25220	1.1
517.25299	1.0
527.25671	3.9
529.26740	3.3
539.24664	1.1
543.22125	3.0
545.26392	1.4
555.26031	5.4
557.25830	2.5
561.22833	2.1
569.26910	2.0
571.26099	4.5
599.25702	11.2
600.24866	1.2
613.26617	8.4
631.26782	40.5
632.27637	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	631.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93393	1.0
57.03445	1.4
57.68570	0.9
59.01382	43.2
60.01707	1.0
61.98831	12.4
65.03952	2.4
67.01889	2.1
69.03458	63.4
71.01390	5.4
71.52722	1.5
73.02952	1.4
81.03435	2.0
83.01345	0.9
83.05028	10.4
85.02950	19.2
86.03304	2.8
87.00845	1.1
88.98805	4.4
89.02446	2.0
93.03465	4.7
95.05000	2.7
95.92399	1.1
96.96004	1.0
97.02927	1.6
99.04520	31.8
101.02402	2.6
101.06082	4.1
107.05033	30.5
109.06573	1.4
111.04516	11.7
113.02467	1.6
115.04021	1.8
119.05017	3.7
121.02934	4.7
121.06599	4.0
123.04557	2.3
125.06035	1.3
127.03996	2.9
130.04269	1.4
131.05016	3.1
133.06644	1.5
137.02428	2.9
137.06042	1.5
145.06635	2.3
147.04509	5.9
147.08163	1.4
148.05302	11.1
149.06087	8.2
153.05550	3.0
155.03477	3.4
161.06082	1.1
163.07646	1.4
165.05576	1.5
165.09154	2.9
175.07594	0.9
183.08168	1.2
185.09648	1.6
187.11198	1.8
193.08664	4.5
197.09779	1.8
203.10767	1.5
209.11847	2.1
211.11325	2.2
211.13275	1.8
213.12819	1.4
215.10704	2.2
231.10379	1.4
237.07608	2.4
239.14294	1.6
241.12224	1.8
259.13104	1.4
277.14517	1.1
285.14908	2.6
289.14215	1.1
307.18973	1.0
333.17172	1.1
337.17715	1.7
351.18094	14.0
352.18335	1.1
375.17960	10.2
375.21741	1.3
376.97418	1.0
385.20111	1.4
393.19345	7.6
401.19638	4.1
403.21118	6.6
409.20203	3.1
417.22766	2.1
427.21274	26.3
428.21320	1.5
443.20306	1.5
445.22266	48.0
446.22537	4.2
469.22061	3.4
487.23413	24.7
488.23438	1.4
489.20721	2.1
503.23126	1.2
513.25342	2.7
527.26593	4.9
531.22314	100.0
532.22858	8.8
555.24872	2.7
571.27740	1.8
589.28595	2.8
599.28241	2.4
613.27350	1.6
631.27399	24.5
632.28131	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	631.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51958	1.1
59.01377	30.3
62.87078	1.3
65.79533	1.3
71.01379	3.8
71.53868	2.0
73.02937	1.6
83.04995	2.5
85.02948	100.0
86.03273	1.5
95.05054	1.6
96.96007	5.0
99.04514	53.9
100.04860	3.5
101.04961	1.3
109.06619	1.8
113.80724	1.3
115.00341	2.5
115.45136	1.7
121.06564	2.8
125.06055	1.8
131.05034	1.4
133.06575	6.0
138.97560	1.4
147.08153	1.8
161.09712	1.7
173.09695	4.3
175.07594	2.4
176.04788	1.8
185.13330	1.4
187.11256	4.2
189.64784	1.4
201.09233	2.1
213.09082	2.9
227.10863	1.6
247.51228	1.3
255.13849	1.5
295.15555	4.9
337.17075	1.4
401.23468	4.3
409.20432	2.5
427.21170	5.5
455.23975	2.7
467.24350	1.7
469.25891	6.9
473.25351	7.1
483.27615	3.1
495.23901	18.1
496.23984	3.4
509.25424	9.5
513.24902	29.8
514.25153	4.1
515.26685	8.9
527.26410	18.0
537.24792	8.8
545.27332	7.1
551.26532	2.5
553.24353	2.8
555.25928	38.9
556.26373	3.3
557.23688	25.5
558.23975	2.2
569.27582	34.1
570.27844	4.3
571.25378	8.2
581.23749	3.8
587.28571	20.3
588.28790	2.9
595.25348	8.5
599.24939	87.6
600.25073	9.1
613.26489	24.9
614.26788	2.7
631.27301	49.3
632.27374	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	631.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57393	0.7
56.80581	0.9
59.01381	29.3
69.03453	3.5
70.72176	1.8
71.01395	5.7
71.04983	0.8
73.02912	1.0
78.46816	0.7
78.83976	0.6
79.05517	1.2
81.03474	1.3
83.05022	8.7
85.02950	25.2
87.02247	0.8
87.04517	1.1
91.89058	0.7
93.03478	2.2
95.05019	1.0
97.06632	0.8
99.04520	16.8
101.02435	1.0
101.06081	97.3
102.06404	1.3
107.05021	1.9
109.02962	0.8
109.06550	3.7
111.04503	2.6
115.00417	1.9
115.04021	1.1
121.06541	1.0
125.06056	2.5
127.04002	1.7
131.05090	1.0
131.90247	0.8
133.06619	3.7
135.04495	1.8
137.06058	1.0
147.08131	1.4
150.06827	1.5
151.07603	0.8
153.05542	0.9
159.08197	1.1
161.09741	1.4
165.09181	0.9
169.05127	1.0
173.09663	1.9
179.63144	0.9
185.11806	1.6
187.11281	1.4
189.09152	1.0
201.09470	1.0
201.11351	2.7
209.11734	1.0
211.13403	1.9
213.09126	1.6
215.10789	0.9
233.11726	1.7
425.19467	1.0
427.21072	1.1
429.19107	1.7
443.20807	3.0
469.26480	1.0
471.24066	0.9
473.25336	2.4
485.21130	4.6
495.24008	2.1
503.22839	2.7
509.25861	1.8
513.24854	15.0
514.25049	1.3
527.26544	4.5
529.20740	5.8
530.20844	0.9
537.25208	1.5
539.25970	1.2
545.27496	5.7
547.21704	1.5
553.26636	1.0
555.25830	12.0
556.26398	1.6
557.27051	3.2
569.27240	2.2
571.25293	1.7
587.29175	3.7
589.26691	1.3
599.24878	8.8
613.26465	9.1
631.27588	100.0
632.27948	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	631.2757
Annotation	16alpha-Acetoxyasclepin
Peak:m/z	Relative Intensity
57.03489	2.0
59.01111	0.9
59.01381	20.9
61.54568	0.4
61.98871	1.0
65.03966	0.6
67.01917	1.1
69.03458	7.8
69.19364	4.7
71.01370	2.9
81.04642	0.5
83.01434	0.5
83.05101	2.0
85.02966	5.6
85.79014	0.4
89.02482	0.6
93.03468	3.1
95.05103	1.5
96.96078	0.8
97.06661	2.0
99.03921	1.3
99.04520	39.6
100.04908	0.6
101.02480	0.6
107.05048	2.5
107.61443	0.4
109.03017	0.6
109.30896	0.4
111.04541	0.6
111.08207	0.5
113.02496	0.5
121.03024	0.9
121.06632	0.9
133.06660	0.8
135.08195	1.1
137.02553	0.7
137.09772	0.5
149.09753	0.6
150.06860	10.0
150.08005	0.6
159.08131	0.6
161.09828	0.6
163.07768	0.7
165.09369	0.6
169.12486	0.5
171.10361	0.6
175.11397	0.6
183.11826	0.5
185.09920	0.5
187.11363	0.7
194.05861	0.5
201.12926	2.1
203.14461	1.4
229.12550	0.5
241.50606	0.5
261.15192	0.6
265.09335	0.7
267.17505	0.5
269.15286	0.7
270.83594	0.5
295.15363	4.8
299.19989	0.9
309.18582	0.8
311.20251	0.6
325.21768	4.5
327.19650	1.3
335.20105	0.9
337.16574	2.2
349.20728	0.6
353.21216	2.2
357.21008	0.8
375.21771	1.4
391.24973	5.2
401.23309	1.8
419.24329	5.6
427.21094	1.0
445.22336	0.8
451.23038	0.9
457.26190	0.6
473.29422	0.6
483.27377	1.7
501.28650	2.7
509.25317	2.7
515.26392	0.8
527.26569	10.1
528.26709	1.0
545.27600	11.7
546.27979	1.3
547.29211	1.0
551.26227	1.1
569.27698	4.2
570.27930	0.7
571.25153	1.1
587.28607	100.0
588.29041	11.5
595.25787	1.0
599.24512	0.7
613.26581	9.3
614.27142	0.9
631.27588	49.5
632.27747	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	630.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51220	0.1
59.01379	6.0
60.01709	0.7
61.01803	0.8
61.98829	100.0
65.01459	0.2
67.88714	0.2
69.17570	1.6
71.67951	0.2
85.02984	0.2
87.04523	0.3
98.19982	0.5
98.20657	0.4
99.04519	0.3
101.06045	0.2
107.39184	0.2
147.66637	0.2
197.93228	0.2
206.89839	0.2
221.24167	0.2
312.50140	0.2
411.05624	0.2
567.26538	0.3
631.28210	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
61.98829	100.0
69.47705	0.1
85.02969	0.3
87.04532	0.2
90.61982	0.1
98.20044	0.5
98.20754	0.2
99.04552	0.2
100.92637	0.1
121.02971	0.1
126.83710	0.1
147.04507	0.1
232.42299	0.1
315.48615	0.1
331.29437	0.1
355.46011	0.1
630.28406	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	630.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69689	0.1
56.97156	0.2
58.25952	0.1
59.01375	1.1
61.98830	100.0
65.29615	0.1
65.96126	0.1
69.77858	0.6
87.04546	0.3
98.20165	0.4
120.85313	0.2
127.32068	0.2
147.04506	2.4
178.98239	0.1
189.99464	0.1
321.23032	0.1
338.10446	0.1
363.61639	0.2
539.46533	0.1
545.29205	0.4
631.29364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
61.98830	100.0
69.14114	1.6
80.20646	0.2
88.43669	0.2
99.04555	0.5
101.06074	2.7
121.95616	0.2
151.86984	0.2
158.57266	0.1
229.05363	0.2
259.87744	0.2
342.98572	0.2
385.51657	0.2
511.30792	0.6
529.32013	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	45.4
60.01707	3.6
60.83278	0.6
61.01803	2.9
61.98829	21.4
68.99574	2.0
70.84049	0.8
70.84373	1.2
73.02954	8.7
74.90932	0.7
75.00874	1.8
98.36396	0.6
99.00890	1.3
99.92583	10.4
112.98555	0.7
116.92867	100.0
116.97260	5.3
117.01939	19.2
117.05556	1.5
117.92874	3.4
121.02979	1.0
123.32125	0.7
132.78661	0.5
142.75562	0.6
147.04543	1.2
148.44534	0.7
150.34956	0.6
165.01749	0.5
208.04202	0.6
241.45145	0.7
248.42432	0.6
249.84407	0.6
383.74622	0.6
448.07938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03443	2.3
59.01379	55.5
61.98824	4.6
65.03965	1.7
66.82445	1.2
68.99792	2.6
69.03439	1.9
69.16455	1.1
69.33897	1.2
71.01379	7.2
71.04996	1.5
73.02936	2.1
81.03449	8.1
83.01385	3.0
83.05016	18.8
83.84782	1.3
85.02943	17.3
87.04523	2.6
93.03458	39.3
95.01378	1.5
95.05016	1.7
97.02945	3.6
97.06589	1.6
99.04517	71.0
100.04848	1.2
101.06080	60.9
107.05037	5.1
109.02953	10.6
109.06593	3.3
110.03719	4.0
111.04520	78.1
112.04860	1.9
119.05026	1.8
121.02955	6.5
121.06586	3.2
123.04526	2.9
124.05278	2.3
125.06115	11.1
127.04046	6.8
131.08691	2.5
133.06584	2.7
135.04552	10.3
135.08150	1.5
137.02458	2.0
139.07643	1.2
141.05615	1.4
145.06638	2.5
147.04506	2.1
147.08171	2.3
149.06139	1.8
150.47916	1.4
151.07645	2.5
153.05579	100.0
154.05974	4.4
159.04515	2.3
159.08157	2.8
159.11786	1.4
160.05266	2.4
161.06018	3.9
163.04024	11.2
167.07121	2.4
169.05037	6.1
171.08141	1.2
175.07693	2.6
177.05574	1.9
185.09724	1.7
187.07643	1.5
187.11263	2.0
189.09222	3.4
191.07178	1.3
191.10796	5.1
193.08566	2.6
197.09831	1.5
199.11287	2.0
201.09203	2.9
209.09596	1.2
211.13319	1.8
213.09128	3.5
215.10742	2.1
217.08591	2.2
225.09140	1.5
239.07181	1.2
241.08716	2.9
242.09236	1.5
243.10188	2.4
253.12465	1.7
273.11301	3.3
273.14664	1.3
275.12946	1.2
281.11661	2.2
299.16364	1.8
387.17984	1.8
389.19443	2.0
427.21194	2.7
429.23019	1.9
435.18137	3.0
445.22290	2.9
449.19775	2.1
455.20233	1.8
469.22672	2.5
471.24127	3.8
485.22141	1.6
495.20227	4.6
499.19574	2.0
509.25293	4.8
511.27676	7.5
513.25146	3.4
517.24042	2.9
527.26752	19.5
528.27039	2.2
537.24957	10.2
545.27374	3.8
551.26300	3.6
553.27826	4.1
555.25958	34.7
556.26581	3.9
569.27502	16.0
570.27667	2.4
573.27283	1.6
579.26318	6.9
587.28601	25.6
588.28931	3.3
597.27051	47.7
598.27167	5.9
611.28479	8.0
629.29602	89.7
630.29944	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	629.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74515	0.2
58.71588	0.2
59.01379	100.0
60.01709	0.8
61.98833	3.5
67.05716	0.2
68.62268	0.2
85.02974	0.9
87.04536	0.8
87.82481	0.2
98.70794	0.2
99.04533	1.0
101.06123	0.4
109.31933	0.2
115.04010	0.2
121.02950	0.4
147.04579	0.4
196.57318	0.2
199.09859	0.2
211.13380	0.4
229.01222	0.3
231.28590	0.2
249.22298	0.2
259.59964	0.2
326.40378	0.3
426.04980	0.2
507.02225	0.2
511.26263	0.8
527.26471	1.8
629.26581	0.4
629.33179	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63787	0.1
56.56101	0.1
59.01378	100.0
60.01722	0.5
61.98832	0.3
68.06182	0.1
68.99570	1.7
71.01394	0.1
71.52953	0.2
72.15288	0.1
77.65047	0.1
85.58608	0.1
112.48314	0.1
112.98557	1.6
113.98922	0.2
114.05621	0.2
114.93391	0.7
115.00392	0.4
115.04024	0.5
121.02966	0.8
146.60977	0.2
160.57411	0.1
218.12460	0.1
311.49329	0.1
485.25735	0.2
544.00940	0.2
626.56842	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01728	0.5
61.98827	2.5
69.03493	0.3
71.01355	0.4
83.05036	0.4
85.02946	5.0
98.20434	1.9
99.04515	4.8
101.02406	0.4
101.06078	2.7
111.04555	0.5
121.02945	0.5
133.06621	0.8
138.52946	0.3
145.03003	1.0
147.04509	0.8
161.06093	0.3
163.04073	0.3
199.13322	0.3
211.13469	1.2
261.11459	1.5
427.21524	1.4
431.24866	0.4
459.23755	0.6
490.33716	0.4
508.68042	0.3
527.26471	5.9
569.27448	0.6
573.27283	0.7
597.31714	1.7
629.29431	3.7
630.35101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
55.95329	0.7
57.03447	2.1
59.01380	27.0
61.98827	2.1
62.30121	0.7
65.03954	2.4
68.99806	2.1
69.03460	1.2
71.01369	3.4
73.02942	0.7
81.03458	5.5
83.01406	1.8
83.05028	18.5
84.05354	0.7
85.02952	13.2
87.04514	2.4
93.03459	45.4
94.03795	1.1
95.05043	1.6
97.02952	2.7
97.06585	3.0
99.04520	53.8
100.04897	0.9
101.06072	4.8
106.79029	0.7
107.05036	4.0
109.02950	10.0
109.06574	1.4
110.03730	2.4
110.76340	0.6
111.04520	75.5
112.04847	1.3
119.04990	0.7
121.02954	7.3
121.06559	1.8
123.04531	1.2
124.05275	2.0
125.06079	8.7
127.04012	1.2
133.06567	1.4
135.04530	8.9
137.02422	2.5
145.06534	0.9
147.08188	1.3
149.06094	0.9
149.09695	1.2
151.03943	0.7
151.07635	1.6
153.05576	100.0
154.05902	2.0
157.06485	0.8
157.10085	0.8
159.08144	0.7
160.05342	1.3
161.06085	2.0
161.09726	1.0
163.04010	9.6
171.08192	0.8
177.05579	1.3
178.06436	1.4
187.07655	1.6
187.11264	1.4
189.09088	0.8
191.10750	1.1
199.07649	0.8
199.11374	1.0
201.09317	1.6
201.11224	1.2
211.13292	1.4
215.10793	1.8
225.09233	0.9
227.10785	1.5
237.08966	0.8
241.12262	0.8
243.10185	0.8
297.15192	1.0
337.18375	0.9
341.17465	1.0
387.17731	1.1
389.19708	2.6
411.21793	1.4
417.22839	1.6
427.21118	2.4
429.23178	3.4
445.22415	2.6
469.22546	2.3
471.24213	3.9
473.21762	1.1
483.24359	1.6
487.23450	0.8
493.26538	1.7
499.19995	1.8
499.27612	0.9
501.25339	1.0
509.25742	4.4
510.26041	1.0
511.26697	8.3
513.24927	2.5
515.22852	1.2
517.24707	2.7
525.25195	1.7
527.26550	19.2
528.26782	1.5
537.25073	9.4
538.24817	0.9
545.27661	2.8
547.26862	0.9
551.26685	3.4
553.26868	3.0
555.25989	27.2
556.26392	3.4
569.27679	9.7
579.25922	4.1
587.28583	14.6
588.29071	1.4
597.27045	35.6
598.27380	5.0
611.28906	7.7
612.28778	1.1
615.77429	0.9
629.29669	37.0
630.29681	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	629.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	29.3
66.41246	0.7
68.47668	0.6
69.03453	1.2
69.17110	1.1
69.17516	5.4
69.75739	0.6
71.01385	1.8
75.84174	0.7
81.03453	0.9
83.05013	1.8
85.02949	3.6
86.26249	0.7
95.05053	0.7
98.20277	3.8
99.04516	100.0
100.04844	1.1
107.05016	1.9
109.06620	3.5
111.04490	1.2
113.06132	0.6
113.49657	0.7
121.06605	1.1
123.75139	0.7
126.86027	0.6
133.06598	4.7
135.04523	0.9
135.47177	0.6
137.06053	0.6
149.06119	1.3
152.09933	0.6
161.09753	1.1
171.08032	0.8
173.09686	1.4
187.11304	3.1
189.09186	1.2
215.10756	1.5
274.80920	0.7
415.20847	1.1
425.19772	1.5
431.15689	0.7
443.20499	3.3
473.22104	0.7
485.21680	6.4
503.22809	10.0
507.54178	0.8
515.22931	3.1
529.20618	5.9
547.21942	6.6
548.21576	0.7
597.27356	3.2
611.86255	0.8
629.25977	98.4
630.26276	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	629.275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.5
59.01378	31.2
60.01724	0.3
61.98828	3.2
65.93780	0.1
71.01382	0.4
71.43867	0.2
71.44871	0.3
81.03469	0.4
83.05022	3.9
83.05488	0.3
85.02939	1.2
86.97705	0.2
93.03482	0.2
95.05029	1.2
97.02978	0.3
99.04526	2.8
103.05527	0.9
107.05047	0.4
109.02954	0.8
109.06610	0.4
111.04544	0.7
113.06096	1.2
117.07098	0.7
119.05029	1.3
119.08727	0.2
121.02978	0.2
125.06089	0.5
127.04028	0.5
130.04230	0.6
135.04482	0.3
141.05608	0.2
143.08670	0.2
145.06595	5.4
147.04515	100.0
148.04855	3.0
149.06090	0.2
155.07199	0.2
157.06569	0.2
159.08107	0.3
169.05113	0.3
171.04584	0.3
171.08241	0.3
173.06117	0.5
175.07651	0.3
183.08165	0.3
184.08881	0.5
187.07610	0.4
189.05573	1.1
190.05798	0.2
199.11319	0.5
201.09184	0.3
203.10883	0.2
209.09668	0.3
211.07623	0.5
212.08423	2.5
213.09084	0.3
215.10774	0.2
226.06323	0.5
227.10762	22.2
228.11107	1.4
229.08690	0.2
243.06558	0.4
251.10709	0.2
265.08698	0.5
269.11771	1.1
271.09665	0.3
279.10342	0.3
279.13806	0.2
280.10962	0.2
281.11816	0.5
293.11813	0.3
295.13394	0.2
297.11398	0.9
303.45285	0.2
309.14990	0.2
310.56296	0.2
319.13217	0.3
322.11929	0.3
323.12866	0.3
325.14343	0.2
327.16068	0.2
337.14484	1.0
337.17950	0.2
351.15976	1.3
363.15988	0.5
377.17545	0.9
379.15387	0.6
388.16635	0.2
391.19083	0.9
395.18646	2.2
403.19119	0.9
409.20178	2.9
419.18604	0.2
421.20883	0.4
437.19638	4.9
438.19833	0.5
463.21274	0.6
479.22159	1.2
499.21835	0.2
505.23901	0.3
507.95596	0.2
527.29907	0.3
551.24432	0.3
559.03015	0.2
585.24939	6.4
586.25439	0.9
593.25372	0.7
611.26404	1.0
629.27667	1.5
630.27710	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67652	0.6
57.03432	2.1
59.01380	35.4
59.44975	0.5
60.01718	0.6
61.98819	2.4
65.76403	0.5
69.03448	1.4
71.01383	2.9
72.99323	0.9
73.02937	0.6
81.03468	0.5
83.05019	3.4
85.02950	8.2
88.85447	0.6
89.02435	0.8
93.03461	0.8
95.05029	1.0
96.95976	1.0
97.02977	0.7
98.00110	0.7
99.00868	1.8
99.04519	58.2
100.04838	1.6
105.07098	1.1
107.05005	2.1
109.06595	5.4
111.04522	2.4
119.04991	0.6
121.02940	1.5
121.06601	1.4
123.04521	1.0
125.06098	0.7
126.87808	0.5
127.04004	1.4
130.04237	0.7
131.08723	0.6
133.06566	1.6
135.04524	2.7
137.06065	1.4
141.05614	1.0
145.10242	0.9
145.11322	0.6
147.08134	1.8
151.07571	0.6
153.05557	0.8
157.06584	0.8
159.11679	0.6
161.02440	0.6
171.08139	0.8
173.09650	0.7
174.03262	0.6
175.07581	0.7
176.04890	0.6
176.97758	0.6
177.90344	0.6
183.08095	0.7
185.09656	1.5
187.11273	1.5
189.09212	0.7
191.07185	0.7
191.10742	0.9
192.04198	0.8
199.11244	0.7
203.14374	0.7
213.09497	0.6
215.07022	0.9
229.03076	0.6
253.12193	0.8
267.13818	0.7
295.15488	1.3
312.62601	0.7
373.23834	2.0
399.21869	3.1
407.18549	0.9
425.19617	1.0
443.21152	0.9
455.27878	1.3
481.26068	4.5
485.21790	1.6
499.27249	7.5
500.27676	1.0
503.22452	1.1
511.19434	0.7
523.26794	1.1
525.24634	1.3
529.20770	12.2
537.25189	1.3
541.28235	3.4
543.25861	1.5
547.14117	0.8
547.21906	10.2
548.21899	0.9
551.22888	1.7
555.25629	1.1
567.25446	0.7
569.24023	2.2
579.26172	0.9
580.28864	0.7
585.27142	7.2
587.28284	0.9
593.23785	2.3
597.27057	6.2
611.24908	22.3
612.25128	2.1
629.26031	100.0
630.26587	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	629.2602
Annotation	Humilinolide B
Peak:m/z	Relative Intensity
54.58118	0.6
57.03446	1.0
59.01381	22.1
69.03450	0.8
71.01371	1.3
81.03449	1.3
83.05035	3.2
85.02950	100.0
86.03274	1.5
89.18900	0.5
89.30016	0.6
91.11013	0.5
95.05077	0.8
97.02980	0.7
98.20673	1.8
99.04533	6.6
105.07099	0.8
107.05037	1.8
109.02927	0.8
109.06594	2.2
111.04515	2.2
112.98560	2.2
122.03748	0.8
123.04531	0.8
127.04008	1.1
130.57994	0.6
133.06595	4.2
135.04497	2.7
135.08148	1.3
141.05579	0.9
149.06024	0.8
161.09741	0.8
163.07640	0.8
167.07108	2.0
171.08177	1.1
173.09651	1.5
175.07658	1.1
187.07603	0.9
187.11292	1.0
189.09116	1.1
189.76872	0.7
193.08649	0.8
199.07750	0.6
211.13475	0.6
213.09210	2.2
215.10793	3.6
216.24588	0.8
221.38817	0.6
232.58794	0.6
245.11815	0.8
255.13802	1.6
271.13330	0.8
298.36319	0.6
303.22534	0.7
341.13950	1.3
379.19138	0.6
381.16959	1.8
397.20352	0.7
399.18027	0.9
407.18524	2.4
421.20267	0.8
425.19464	2.5
433.74600	0.7
439.21048	1.1
441.19144	4.8
443.21207	1.0
467.20380	1.4
483.23599	1.1
485.21732	3.2
493.22504	0.8
509.21817	1.2
511.23398	2.6
543.26331	6.4
553.24280	5.2
554.24261	0.8
585.27185	2.4
597.23456	1.7
629.26019	39.8
630.26031	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	629.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
59.01381	22.4
69.39359	0.5
71.01344	1.2
71.01690	0.5
72.15073	0.6
73.02956	0.8
76.65659	0.5
81.03446	1.7
83.05019	2.9
85.02950	100.0
86.03295	1.2
93.03426	0.5
93.41853	0.6
95.05037	0.7
97.02982	0.8
99.04520	7.2
105.07111	1.0
107.05037	1.4
109.02956	1.3
109.06580	2.0
111.04559	2.6
121.06569	0.9
122.03738	1.4
123.04508	0.9
125.06091	0.8
127.03970	1.2
131.05037	0.6
133.06598	4.9
135.04494	3.0
135.08118	0.8
137.06107	0.9
141.05606	1.7
147.08160	1.1
149.06023	0.8
151.07637	1.0
159.08121	0.8
161.09729	1.5
163.07753	1.0
167.07104	2.0
169.05081	0.6
171.08046	0.8
173.06062	0.7
173.09682	1.3
175.07631	0.9
175.69524	0.6
183.08168	0.6
185.09735	1.0
187.07695	0.7
187.11308	1.3
189.09190	1.4
191.10756	0.5
193.08717	1.0
199.07597	0.8
200.08417	0.7
203.10811	0.6
211.11243	0.6
213.09186	3.4
215.10757	4.6
245.11809	1.2
253.12276	1.2
255.13928	1.8
257.11752	0.7
271.13412	0.8
297.14893	1.3
341.13824	1.3
357.16995	0.9
379.19101	1.0
381.16959	1.3
397.20230	0.9
399.17834	1.1
407.18738	2.5
421.20349	0.7
425.19666	2.7
439.21201	1.6
441.19223	4.3
443.20676	1.1
449.23721	0.6
467.20270	1.2
485.21793	4.9
509.21826	1.0
511.23441	3.1
535.22339	0.5
543.26111	6.2
544.26160	0.7
553.24255	5.7
585.27051	2.4
597.23773	1.4
629.26013	40.1
630.26294	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	627.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94325	1.7
59.01380	50.0
65.07375	1.8
95.05013	7.0
98.08336	1.7
99.04517	100.0
113.06081	3.0
141.05524	2.3
276.40698	2.0
381.20447	3.5
395.22260	6.7
423.21716	14.6
423.35806	1.8
424.21561	1.9
472.92004	1.8
476.24149	2.2
523.26697	10.1
549.28137	4.2
567.29608	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	627.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79025	1.1
53.44973	1.1
55.33099	1.0
59.01381	76.3
60.01724	1.1
61.98820	3.0
69.27036	9.8
71.01403	1.1
83.05016	1.8
85.02950	3.6
89.05661	1.1
92.35146	1.0
99.04519	48.0
100.58431	1.0
107.62058	1.0
157.02937	1.0
210.99971	1.1
253.03897	1.1
340.15656	1.2
377.21149	2.4
425.23312	2.0
443.24329	8.2
461.25662	1.4
507.27441	2.8
525.28534	100.0
526.29034	8.2
540.98627	1.2
543.30267	1.8
567.29236	3.2
585.30719	2.9
627.30536	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26296	0.6
57.03446	0.8
59.01379	16.5
61.98828	2.9
62.72719	0.6
70.95329	1.1
71.01385	9.4
72.99287	0.7
73.02941	1.6
74.84170	0.6
83.01376	0.7
85.02947	4.7
87.00840	0.9
88.98810	1.0
89.02449	7.6
93.51039	0.5
95.01369	0.8
96.95998	1.5
101.02441	6.0
103.04031	1.2
106.06608	1.5
107.05058	2.8
108.05317	0.8
111.00829	0.6
113.02431	2.7
119.03523	2.8
122.06117	1.0
124.07669	1.9
129.01949	9.2
130.02267	2.1
132.04558	8.1
133.05347	3.5
134.03737	1.7
134.06125	13.2
137.23195	0.6
146.06094	1.1
147.02982	9.9
148.03337	2.2
150.05574	1.5
152.07159	2.7
155.69127	0.5
165.04300	4.2
186.09041	0.7
193.04980	1.3
202.41367	0.6
213.06575	0.8
214.12306	1.1
215.11945	1.0
226.12320	2.5
227.11731	0.7
229.09760	1.9
237.10310	1.3
241.09785	2.1
251.11841	1.4
257.12927	14.9
265.09808	5.4
269.12885	6.2
271.14471	0.7
277.78931	0.6
279.11414	6.2
280.12146	3.8
281.12814	1.3
282.13663	0.8
283.10883	1.7
299.13889	1.0
301.12045	0.9
312.11130	0.7
324.07886	0.6
359.66495	0.6
376.20645	1.0
404.19675	1.4
422.20282	0.7
466.12958	0.7
584.25659	1.4
593.14880	1.7
600.25623	1.1
610.24310	0.9
628.24976	100.0
629.25397	11.9
643.70917	0.7
647.68378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19167	0.6
57.03458	3.3
57.65427	0.6
59.01378	100.0
61.98834	1.3
68.99808	1.9
69.03452	2.3
71.01390	4.0
73.02948	1.5
75.85393	0.6
79.05532	4.0
81.03457	3.9
83.01364	0.9
83.05025	6.0
85.02948	90.8
86.03294	0.9
93.03448	1.9
95.05030	5.0
96.96007	0.6
97.02945	1.4
97.06578	3.3
98.00102	2.3
98.03736	1.8
99.04518	16.1
100.28226	0.6
101.02427	1.4
107.05022	8.1
108.02155	1.3
109.02952	2.3
109.06591	3.1
109.49797	0.6
111.04530	5.3
113.06101	1.8
115.04015	0.6
119.05013	0.8
119.08669	1.3
121.02953	1.2
121.06574	1.9
122.03748	10.7
123.04551	7.1
123.08122	0.9
125.02455	0.7
125.06097	1.3
127.04005	2.0
133.06587	1.6
135.04523	10.5
135.08138	2.7
137.04915	0.5
137.06062	2.0
141.05574	6.1
142.07809	0.6
144.05818	1.8
145.06546	0.7
147.08147	1.7
149.06026	1.4
151.03979	2.0
151.07660	0.7
153.05605	1.3
157.06551	1.2
159.08148	3.9
161.09714	1.8
163.07616	1.6
167.03371	0.6
167.07123	4.5
169.05016	0.6
171.08163	2.0
173.06055	0.8
173.09595	1.3
175.07596	1.8
177.09122	0.7
185.09616	0.7
187.07649	1.2
189.09186	2.1
191.10757	2.6
193.08630	0.7
197.09641	0.9
199.07680	1.0
199.11278	1.3
200.08319	1.5
201.09241	1.6
211.11234	0.9
211.54033	0.6
213.09245	0.7
215.10777	1.1
217.08612	1.4
217.12221	1.0
225.09113	0.6
229.12213	1.1
231.13864	0.7
237.12831	0.6
241.12068	0.9
251.10486	0.7
253.12361	1.1
255.13860	2.6
265.12164	1.1
270.07620	0.7
275.13834	0.6
281.11508	0.8
283.13303	1.5
287.16434	1.4
295.13315	0.8
307.17047	0.7
313.14322	0.8
313.84247	0.5
352.80408	0.7
369.25357	0.7
391.19061	0.8
413.19531	1.5
431.22052	0.7
439.20761	0.9
449.23096	2.5
450.69989	0.6
465.22971	0.8
483.19308	0.8
489.28653	5.3
491.24631	0.6
493.22266	1.6
509.26089	4.1
525.24591	2.2
537.24475	2.2
537.31934	0.6
541.23706	0.8
543.22064	5.6
551.26416	0.9
553.24390	27.7
554.24817	3.1
555.25964	5.0
579.25543	1.1
585.27460	2.9
587.28674	3.6
597.23163	19.9
598.23340	2.1
629.25903	54.5
630.26440	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	627.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51225	0.7
57.03446	1.3
59.01378	30.8
61.98819	2.1
71.01392	0.8
76.18549	0.7
81.03484	1.0
83.05022	3.4
84.37032	0.7
85.02951	100.0
86.03311	1.0
95.05046	0.9
96.98897	0.6
98.20432	4.2
99.04529	5.2
100.41994	0.9
101.06136	1.2
109.02953	0.9
109.06666	0.8
111.04493	0.7
113.06077	1.2
125.53378	0.7
138.14536	0.7
155.07156	0.7
162.55104	0.6
212.08414	1.6
215.74179	0.7
227.10773	18.2
227.12924	1.4
228.10985	1.1
231.88983	0.7
243.65828	0.7
281.11801	1.2
337.14435	1.5
351.16052	1.5
363.16220	1.1
377.17639	1.7
391.19357	1.1
395.18527	2.9
403.18988	1.0
409.20169	7.7
417.20587	0.8
437.19675	10.2
438.19803	1.0
463.21008	0.9
472.25052	0.8
473.94095	0.8
523.15533	0.9
523.23401	17.3
524.23926	1.2
543.29370	1.3
549.24872	3.2
567.26178	4.1
627.30865	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13860	0.2
57.17926	0.1
59.01382	100.0
60.01717	0.5
61.98844	0.6
63.24784	0.2
63.88832	0.2
82.96912	0.2
83.12901	0.2
85.02950	1.2
90.52241	0.2
98.20636	0.3
99.04517	3.0
99.05105	0.3
125.06017	0.2
133.06639	0.4
161.09724	0.4
167.02480	0.2
179.69777	0.1
185.09769	0.2
187.11314	0.3
197.11969	0.2
199.07693	0.7
199.11369	0.2
213.09288	0.5
215.10828	0.2
221.30411	0.1
246.49794	0.2
281.11841	0.2
409.20398	0.3
427.21283	1.6
445.22345	0.4
459.23849	0.3
469.22702	0.4
481.26337	0.4
509.25409	6.2
510.26074	0.6
525.25024	1.6
526.25323	0.3
541.28186	1.1
551.26416	3.0
552.27301	0.3
583.29150	0.4
627.27521	1.0
653.69232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44180	0.2
59.01377	100.0
60.01710	0.5
61.98829	0.8
70.53665	0.7
79.55248	0.2
85.02946	1.7
97.59325	0.2
98.20164	0.4
99.04536	0.6
101.06089	0.4
134.58078	0.2
146.70717	0.2
197.11951	0.3
211.13425	0.6
364.44815	0.2
382.49744	0.2
525.25122	1.3
539.23663	0.3
595.24670	0.3
627.26971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	28.4
59.63633	0.8
61.98825	3.3
63.00645	0.9
69.03452	1.2
69.99414	0.9
71.01373	1.3
80.02650	0.9
81.03444	2.5
83.01353	1.0
83.05029	1.7
85.02955	100.0
86.03288	1.3
87.04509	1.5
97.06631	1.0
98.20602	1.9
99.04523	40.2
125.06091	1.3
131.04982	2.3
133.06599	2.8
145.06548	1.1
147.04530	1.7
147.08150	3.6
155.44765	0.9
159.08104	1.0
160.05338	1.1
161.06059	1.0
161.09752	2.4
171.08147	2.1
173.09651	1.5
185.09724	1.4
187.11186	2.3
197.09665	1.1
198.06938	1.5
199.07698	7.4
211.07610	3.1
213.09245	4.5
215.10771	2.3
241.16032	0.9
243.10289	1.0
255.13876	1.1
269.15500	1.3
281.11877	1.5
295.13379	1.5
335.16360	0.9
346.15762	0.8
352.65955	0.8
365.17490	2.1
391.19202	1.0
409.20160	3.4
427.21170	13.8
428.21667	1.5
429.22714	3.3
459.23987	1.2
469.22293	1.7
473.37274	0.9
481.25674	5.3
491.24539	3.2
499.23273	0.9
509.25427	90.4
510.25720	7.6
523.26794	1.1
525.24896	13.4
535.23328	2.0
541.28094	6.7
543.25940	13.2
544.26672	1.8
551.26587	31.1
552.27063	2.6
553.24451	17.8
554.24713	2.4
557.24518	1.5
567.25928	1.5
583.29358	2.3
585.27045	71.5
586.27594	6.3
595.25519	6.0
596.26166	1.1
627.28119	45.1
628.28680	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	627.2811
Annotation	Primary fluorescent chlorophyll catabolite
Peak:m/z	Relative Intensity
55.01863	1.5
56.18979	0.8
59.01378	45.7
61.98810	3.8
68.99796	0.9
69.03452	1.7
71.01379	4.9
71.17846	1.0
73.02935	2.8
79.05524	1.6
81.03449	5.0
83.01394	1.7
83.05025	6.5
84.02176	0.9
85.02925	2.9
95.05029	1.4
97.02928	1.0
97.06602	1.2
99.04517	93.3
100.04849	1.1
101.10744	0.7
105.07101	1.2
105.83739	0.9
107.05026	5.3
107.24278	0.8
109.02949	1.4
109.06583	3.2
111.04500	12.5
115.05579	1.0
117.03426	1.4
117.07108	1.4
119.05010	1.5
121.02951	1.1
121.06588	1.7
123.04509	2.3
123.08122	0.9
125.06052	2.0
127.04014	13.2
129.07060	1.1
131.08641	7.0
133.06573	3.5
135.04515	5.7
135.08102	1.4
137.06044	3.5
139.07617	1.2
141.05557	7.0
143.05017	1.1
144.05794	1.5
145.06593	2.4
146.03574	0.8
147.04514	0.8
147.08119	3.2
149.06052	1.7
151.07649	1.7
153.05513	0.8
157.06529	2.9
159.04507	2.0
159.08163	5.3
160.05304	1.9
161.06056	7.1
161.09717	2.2
163.07623	1.9
165.09222	0.9
167.07164	7.1
169.05075	12.1
169.06421	1.8
171.08163	4.6
173.06053	2.0
173.09668	1.4
175.07605	3.2
177.05507	1.6
177.09218	0.9
183.08083	1.8
184.08846	0.8
185.09665	2.4
186.06760	1.3
187.03908	0.9
187.07622	3.5
187.11272	0.8
189.09183	10.0
191.10771	13.5
193.08701	4.1
195.08095	1.1
197.06006	2.1
197.09666	2.4
199.07608	3.7
199.11209	1.2
201.09201	4.1
205.08511	1.1
209.09676	2.6
211.07597	1.9
211.11188	1.3
213.09201	3.8
215.07071	3.4
215.10638	1.5
216.07916	1.8
217.08696	3.6
222.06763	1.2
223.07599	1.6
225.05428	1.0
225.09171	1.1
227.07173	1.2
227.10736	2.0
229.08636	2.1
229.12141	1.1
231.10178	3.1
237.09149	3.4
238.09903	1.2
239.10783	2.0
241.08710	5.8
241.12387	1.8
251.10707	2.5
253.12335	2.5
255.10205	2.7
259.09381	1.1
263.10779	1.8
265.12173	1.3
266.09473	2.7
267.10153	1.5
271.09906	1.5
273.11273	7.8
273.14792	2.5
275.12820	2.5
279.10104	1.5
281.11902	6.5
281.14865	1.4
293.11844	1.4
295.13385	1.6
297.14899	1.4
299.12790	2.6
305.11966	1.2
313.14459	1.1
322.48569	1.0
323.12891	1.3
325.14270	1.8
339.15814	0.9
357.16965	3.2
367.15485	1.0
385.16531	1.3
407.18582	2.3
409.16623	2.4
417.17065	2.6
423.18042	2.3
425.19708	2.7
429.18958	3.3
431.18994	0.9
435.17862	5.5
441.19247	2.0
449.19687	6.6
453.19028	3.1
459.19687	1.1
467.20712	7.7
469.18597	6.3
471.19882	3.4
485.21909	4.9
495.19986	5.9
501.21222	1.2
503.22635	1.7
509.25394	2.1
513.14233	1.2
513.21265	13.5
514.21252	1.7
523.22992	1.2
527.22882	12.5
528.22943	1.0
535.23010	1.6
545.24023	4.2
551.23578	1.4
553.24304	4.2
567.25934	9.0
577.24103	1.6
585.26868	9.7
595.25348	24.8
596.25897	3.0
627.28003	100.0
628.28412	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	627.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	28.5
60.99304	3.9
61.98823	1.1
62.06314	0.4
67.01894	1.0
68.99820	1.1
70.99065	0.4
73.02942	1.5
83.05016	1.6
85.02957	1.9
97.02956	0.9
97.28780	0.4
99.04521	100.0
100.04871	1.6
101.02435	1.0
101.73579	0.5
105.40827	0.5
107.05009	0.7
114.92553	0.4
121.02929	0.5
121.06633	0.6
123.04823	0.5
125.02463	0.5
133.06609	0.6
135.04497	1.2
145.06567	1.2
147.04604	0.5
147.08180	0.7
167.07123	2.0
185.09775	0.5
237.12888	1.0
255.13914	0.7
274.70178	0.5
291.17206	0.5
299.12921	1.1
347.20526	0.5
391.18866	0.9
398.55893	0.5
404.93036	0.5
409.20200	1.0
425.19806	0.9
451.21515	0.8
467.20895	1.2
485.21851	4.1
525.25262	0.6
527.22632	2.0
543.28918	0.5
585.19879	0.3
585.27020	15.4
586.27161	1.3
627.28076	23.7
628.28290	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	627.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71231	0.6
55.01875	0.6
56.94860	0.5
59.01380	38.1
61.98828	2.9
68.99831	1.1
69.10844	0.5
71.01380	4.7
71.53284	0.7
73.02947	2.1
74.55342	0.5
75.00851	0.6
78.95904	0.9
79.05531	0.7
81.03448	2.9
83.01410	1.3
83.05032	3.7
84.02152	0.8
85.02953	10.0
86.03339	0.6
92.08210	0.5
95.01416	0.5
95.05031	1.3
97.02940	1.2
97.06580	1.3
99.00865	1.1
99.04518	79.5
100.04865	1.1
101.02419	1.3
105.07117	1.4
107.05000	3.2
109.02928	0.8
109.06590	1.4
111.04523	6.8
113.06066	1.3
115.05558	0.7
119.05030	1.5
121.02966	5.1
121.06546	1.4
123.04513	1.3
123.08105	0.6
125.06076	1.9
127.04008	9.0
127.04879	0.6
129.07098	0.6
130.04269	0.6
131.05026	0.9
131.08696	3.8
133.06575	3.0
135.04527	4.2
135.08142	1.1
137.06070	2.2
139.04021	0.6
141.05585	3.5
143.05022	0.9
145.06570	2.4
147.04477	0.5
147.08128	2.2
149.06113	1.8
151.07640	1.8
152.99626	0.9
157.06583	1.6
159.04504	2.3
159.08116	2.9
160.05280	1.2
161.06061	6.2
161.09729	1.0
163.07639	1.7
165.05544	0.8
165.09138	0.6
167.07144	5.3
169.05061	8.9
169.06421	1.1
171.04590	1.1
171.08115	2.8
173.06081	2.2
173.09668	1.1
175.07613	1.9
177.05583	0.9
177.09178	0.8
183.06670	0.8
183.08133	1.2
185.06085	1.4
185.09743	1.3
187.07607	3.3
187.11172	0.8
189.09215	7.1
191.10782	8.8
193.08633	2.9
195.08138	1.3
197.06004	1.4
197.09882	1.1
198.06831	0.7
199.07593	1.6
199.11288	1.0
199.13289	0.5
200.08394	0.8
201.09169	2.7
209.09676	1.1
209.11682	1.1
210.06598	0.6
211.07625	1.2
211.11266	0.9
213.09233	2.6
215.07143	2.9
215.10764	2.1
216.07880	1.3
217.08696	2.4
223.07701	1.5
223.11267	1.3
224.08295	0.7
225.09198	1.1
226.06438	0.6
227.06967	0.7
227.10782	0.8
229.08600	1.4
229.12308	1.4
231.10309	1.6
235.11325	0.8
237.09109	2.6
238.09988	0.8
239.10736	1.3
240.07721	0.6
241.08659	3.2
241.12451	0.6
243.10153	1.1
245.11816	0.7
251.06914	0.6
251.10814	1.5
253.12329	1.4
255.10144	1.0
263.10638	0.9
266.09454	1.7
267.10147	1.0
273.11285	4.7
273.14603	1.1
275.12967	0.7
277.12329	0.6
280.10956	0.8
281.11868	3.7
283.09787	0.5
297.14795	1.2
299.12854	1.5
305.11841	0.7
311.12689	0.9
313.14301	0.6
313.38351	0.6
315.04788	0.5
323.12741	0.8
325.14569	1.1
333.14877	0.7
357.16983	1.8
363.15775	0.8
389.17413	0.9
407.18710	1.6
409.16360	1.2
417.17133	1.1
421.19846	0.8
423.18201	1.8
425.19327	1.0
429.19116	2.5
435.18130	3.5
441.18997	1.4
449.19547	4.2
453.19028	2.6
467.20779	5.5
469.18512	3.3
471.20218	2.0
481.25888	1.1
485.21948	4.2
495.20169	4.4
499.26996	2.1
501.21140	0.9
503.22818	0.9
509.21442	0.8
511.23065	0.7
513.21271	9.9
520.91443	0.6
527.22797	9.8
528.23401	1.1
535.23254	2.8
543.25818	1.0
545.23669	2.9
551.22778	1.5
553.24597	2.8
567.25885	5.8
577.24988	1.3
585.27057	7.0
595.25452	19.8
596.25751	1.8
627.28052	100.0
628.28363	13.1
628.38538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2808
Annotation	Primary fluorescent chlorophyll catabolite
Peak:m/z	Relative Intensity
55.01862	2.1
57.03449	1.5
57.78938	0.5
59.01377	56.1
60.01714	0.6
61.98830	3.0
67.44882	0.6
68.99809	2.1
69.03440	1.4
70.54725	0.7
70.55089	1.6
71.01379	8.8
71.05019	0.9
73.02943	3.3
79.05519	1.4
79.95737	0.7
80.02696	0.5
80.96463	0.7
81.03461	4.7
83.01387	2.1
83.05025	7.9
84.02151	1.6
85.02956	5.3
89.02454	0.7
91.05571	0.5
93.03455	1.5
95.01340	0.6
95.05030	2.0
96.95963	0.9
97.02952	1.2
97.06601	2.4
98.20378	0.7
99.04515	100.0
99.80213	0.5
100.04882	1.1
101.02419	1.7
105.07102	1.2
107.05019	5.2
108.02139	0.6
109.02955	1.7
109.06586	3.1
111.04515	13.8
113.02475	0.8
113.06084	1.0
115.05524	0.6
117.03463	1.0
117.07093	1.0
119.05013	2.4
119.08685	0.9
121.02969	2.6
121.06620	2.6
123.04511	2.1
123.08167	0.9
125.06091	4.3
127.04006	13.5
129.07092	1.0
130.04268	0.8
131.05020	2.0
131.08655	6.5
133.06595	4.4
135.04523	7.0
135.08151	1.8
137.06090	3.3
139.07639	1.1
141.05603	5.2
143.05013	1.3
143.08563	0.7
144.05753	1.0
145.06564	3.5
147.04517	0.6
147.08118	2.9
149.06067	3.3
149.09752	0.5
151.03973	0.8
151.07619	2.5
153.05589	1.3
155.08600	0.8
156.05794	0.6
157.06543	2.8
157.10153	0.7
158.03745	1.0
159.04503	3.0
159.08134	4.5
160.05310	2.4
161.04753	0.4
161.06073	10.6
161.09746	2.9
163.03981	1.6
163.07645	2.3
165.05594	0.6
165.09190	1.6
167.07143	6.3
169.05069	12.2
169.06438	0.9
171.04541	0.7
171.08163	3.5
172.05338	0.9
173.06046	2.8
173.09683	0.8
174.06831	0.9
175.07620	3.3
177.05629	1.3
177.09192	1.1
183.08104	2.0
184.05235	0.7
185.06062	1.0
185.09711	1.8
186.06799	0.7
187.07619	5.2
187.11285	0.9
189.05629	1.4
189.09218	10.1
190.09590	0.5
191.07164	0.7
191.10768	13.4
192.11128	0.7
193.08701	4.8
195.08156	1.2
196.05185	0.6
197.06039	1.9
197.09709	3.4
198.06816	1.4
199.07619	3.9
199.11319	1.3
200.08383	1.2
201.05531	0.8
201.09204	4.5
202.06276	0.8
203.07130	1.1
203.10794	1.0
207.10164	0.7
209.06171	0.7
209.09750	1.8
209.11639	0.9
210.10446	0.8
211.07619	2.6
211.11229	1.5
211.13158	0.5
212.08360	0.7
213.09209	4.6
213.12659	0.9
214.09917	0.8
215.07147	3.6
215.10715	1.6
216.07840	1.6
217.08705	3.3
219.10130	0.6
221.11665	0.5
222.10532	0.5
223.07654	2.0
223.11263	1.6
224.08379	0.9
224.20090	0.5
225.09154	2.0
226.06331	1.0
227.07135	1.0
227.10759	1.4
229.08707	2.7
229.12292	1.7
230.09532	0.8
231.10187	2.3
235.11240	1.1
237.09268	3.7
237.12933	0.9
238.09898	1.4
239.07021	1.0
239.10712	1.9
240.07948	1.0
241.08667	6.2
241.12291	1.6
242.09334	1.1
243.10287	2.2
245.11801	1.7
247.85602	0.5
251.10757	2.4
252.07671	0.7
253.08751	1.0
253.12270	2.6
255.10237	2.4
255.13771	0.6
257.11914	0.6
263.10788	1.3
264.11237	0.7
265.09100	0.7
265.12357	1.4
266.09460	3.0
267.10150	1.3
269.11807	1.1
271.09738	1.3
273.11325	7.4
273.14902	1.9
274.11890	0.6
275.12878	2.0
279.10236	1.0
279.13687	0.7
280.10977	0.9
281.11884	5.3
282.12463	0.7
283.13455	0.9
285.11267	0.9
287.12961	0.6
293.11780	0.7
295.13318	1.4
297.11368	0.8
297.14908	1.6
298.12128	0.7
299.12823	2.9
299.20099	0.6
305.12155	0.7
307.13297	0.7
311.12854	1.1
313.14420	0.8
323.12653	1.4
325.14499	3.0
337.14410	1.2
339.15863	1.1
355.15390	0.9
357.17163	2.5
359.14999	0.9
363.15945	0.7
365.13535	0.9
365.17615	1.0
383.14780	0.7
385.16537	1.2
389.17395	1.0
391.15112	1.3
391.19598	0.7
395.19003	0.7
405.16873	0.7
407.18634	2.1
409.16486	2.6
417.17053	1.2
421.20242	1.0
423.18350	1.3
425.19598	1.6
425.33209	0.6
427.17410	1.2
429.19040	4.0
431.18750	0.9
435.18173	5.0
439.20956	0.8
441.19107	1.8
449.19708	7.0
453.19336	3.5
459.20334	0.7
467.20688	7.4
468.21008	0.8
469.18564	5.4
470.18610	0.6
471.20282	2.8
485.21802	5.1
495.20193	4.8
501.21280	1.8
503.22763	1.0
511.23489	1.0
513.21228	9.7
513.28290	1.0
514.21887	0.9
527.22803	11.7
528.22900	1.0
535.23010	1.8
543.25665	0.9
545.24023	4.3
551.22888	2.0
553.24622	3.6
567.26056	6.0
568.26709	0.7
577.24115	1.7
585.27002	8.7
586.27466	1.0
595.25409	30.1
596.25665	2.3
609.27271	0.7
627.28015	99.7
628.28400	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	627.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	97.0
59.51344	28.7
62.52426	21.6
70.12037	95.5
95.53740	27.4
112.82480	20.5
116.73150	24.5
121.02943	100.0
124.14585	21.5
138.02229	24.9
157.06682	24.3
166.91533	23.6
209.19846	25.6
219.44299	25.1
531.27069	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	627.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29623	1.0
57.03446	1.2
59.01379	69.8
61.98819	2.3
69.28794	1.0
71.01379	4.0
71.54585	0.8
73.02943	1.0
76.16223	0.9
85.02944	2.6
88.04044	0.9
88.98812	0.9
89.02444	3.3
93.03447	2.3
95.05038	1.0
96.96037	2.3
101.02431	2.4
103.04028	1.2
103.71149	0.8
109.02942	1.0
113.02399	1.2
119.03490	1.1
121.02947	3.8
122.03725	6.3
129.01939	1.1
133.02937	2.7
135.04526	1.8
149.02437	25.9
150.03220	55.3
151.03871	1.4
161.02440	6.0
164.04761	9.4
165.05562	87.7
166.05887	2.5
175.07593	1.7
176.04756	4.1
179.03500	11.6
180.04288	6.7
191.07176	2.7
194.05840	14.9
195.06613	100.0
196.06979	2.9
209.08176	41.7
210.08458	1.5
265.09012	1.7
310.08591	0.9
342.11063	7.1
357.13409	44.1
358.13718	3.4
382.03558	1.1
405.15512	36.7
406.15710	2.9
421.18137	1.3
423.19064	1.4
627.15082	2.4
627.25427	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	625.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
57.03445	4.0
58.00589	1.0
59.01380	40.0
61.98822	3.4
63.13425	0.7
69.28024	5.6
71.01381	22.2
72.99294	0.9
73.02946	8.7
78.40834	0.7
78.95872	0.8
80.96498	0.8
83.01385	3.7
85.02948	10.7
87.00880	1.8
87.04511	0.9
88.98743	1.1
89.02447	9.3
95.01376	2.6
96.95982	1.1
97.02924	1.1
99.00887	2.1
101.02439	12.8
102.18230	0.6
103.03991	1.1
113.02450	11.9
118.49828	0.7
119.03524	3.2
119.89073	0.6
121.03006	1.6
125.02398	2.0
131.03401	0.8
143.03445	1.8
143.10789	1.6
150.03201	0.7
159.03018	1.0
161.04530	2.8
161.13498	0.7
179.05620	1.8
214.21220	0.8
299.25870	0.7
315.25427	5.7
327.25351	3.0
338.31818	0.7
359.27982	4.8
377.29016	5.8
403.23148	1.2
436.18851	0.7
477.30624	1.4
519.22205	0.8
521.33282	100.0
522.33649	8.5
537.17499	0.8
539.34351	7.6
540.34808	0.8
565.30157	1.4
581.35168	4.3
607.24762	0.9
625.13348	1.3
625.25293	3.5
649.66846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.8
58.03831	2.4
59.01379	44.2
61.43827	2.3
61.98814	6.4
67.45057	2.4
69.40017	20.8
71.01373	18.5
73.02947	6.2
74.09048	2.6
83.01361	6.5
85.02957	30.1
88.98800	11.4
89.02434	11.2
96.96020	12.2
98.19861	4.6
99.00857	5.0
101.02454	27.5
103.04000	5.7
107.05030	29.6
110.88624	2.5
113.02442	11.7
125.02470	5.6
128.03412	2.8
129.01947	88.2
132.04539	8.3
134.03766	13.1
134.06097	7.5
147.03001	100.0
161.04614	3.5
174.01764	2.6
193.05049	11.1
195.06627	3.4
225.07796	3.3
257.12946	8.7
265.09732	5.6
269.13004	6.6
271.02560	3.4
279.11319	4.0
280.12036	3.6
300.02127	3.8
301.02844	4.7
302.49176	2.6
303.03470	3.0
317.05811	3.3
323.07730	4.6
465.11707	6.2
549.14929	3.1
567.30469	6.3
627.15918	4.8
627.32581	69.3
628.25067	90.8
636.17499	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	627.2099
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
51.61386	0.2
59.01377	0.8
61.98822	0.8
66.40379	0.2
70.64236	0.4
73.02951	0.7
98.20260	0.4
99.04515	0.4
125.29651	0.2
157.28879	0.2
170.44690	0.2
437.12564	0.7
438.13269	1.1
450.13266	0.5
451.13876	1.3
452.14990	3.2
453.15237	0.4
455.09787	0.3
461.82874	0.3
465.15643	0.8
466.16885	0.5
469.11380	0.4
470.11670	0.2
478.12372	0.3
479.17172	0.9
480.14075	0.7
481.15057	9.0
482.15381	1.3
484.14127	0.8
493.15344	1.1
494.16113	0.9
495.16739	15.4
496.17175	2.2
500.62292	0.2
502.14896	0.3
507.16675	0.9
508.18182	2.2
509.18625	1.9
512.13220	0.8
519.16620	0.4
521.14612	0.8
522.15161	0.4
523.16058	0.8
523.19775	0.8
523.27008	0.3
524.16876	0.3
526.14856	0.8
533.18591	0.5
535.16205	1.8
536.16895	2.8
537.17389	0.3
539.15735	0.8
540.16992	3.3
541.17010	0.4
551.19373	40.1
552.19690	5.2
553.17041	0.5
554.18427	1.1
555.18732	0.8
567.18921	0.6
568.15851	1.3
572.15613	3.1
573.15808	0.3
583.22064	0.4
586.17072	2.4
595.18304	7.5
596.18329	0.8
627.20941	100.0
628.21228	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	625.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
57.03446	1.3
58.00586	1.7
59.01379	18.7
61.98818	0.6
69.03442	0.7
69.27126	4.5
70.59668	0.5
71.01381	13.8
72.99297	1.2
73.02950	3.0
75.00861	0.9
80.02682	1.5
81.03458	1.7
83.01382	1.8
83.05032	5.6
84.02171	1.2
85.02953	4.0
87.00857	3.2
89.02444	14.1
95.01359	0.7
95.05030	1.7
97.02937	1.5
99.00917	1.1
101.02444	12.6
103.04039	0.7
109.02957	0.6
111.04486	0.5
113.02447	6.4
119.03506	3.8
124.01647	0.8
124.63229	0.5
125.02445	5.5
125.06087	1.3
129.01974	0.7
135.04536	0.5
137.02428	2.2
139.03972	1.3
143.03482	2.4
149.02359	0.6
150.03278	0.6
151.04012	1.2
161.04539	2.4
163.11293	3.8
165.05560	1.3
165.12827	2.5
167.03455	1.2
173.08218	0.9
176.04601	0.5
178.99776	0.5
179.05588	3.6
181.04991	1.2
181.12378	0.8
191.10806	1.7
192.90547	0.5
194.05737	0.6
195.06616	2.3
209.11815	100.0
210.12212	3.4
221.06754	0.8
227.12881	18.6
228.13217	0.6
235.08240	4.3
253.09300	1.6
271.02466	1.4
287.07654	1.1
299.02090	0.7
305.08844	1.1
316.02185	1.3
389.16129	1.0
390.16391	0.6
391.13846	0.8
391.16995	0.9
397.13489	35.1
398.13684	2.2
406.16241	2.0
415.08978	1.0
415.14529	18.0
421.18646	13.4
422.18546	0.9
451.00217	0.5
481.26770	1.0
523.27399	0.8
565.22906	0.9
607.26270	0.9
625.14587	1.5
625.26117	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	625.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	37.5
61.98835	48.6
68.59332	28.3
98.19901	88.4
98.20621	100.0
99.71915	25.1
102.51550	26.4
112.68481	28.5
121.02962	74.0
179.57686	27.4
191.32086	26.1
210.70776	27.9
277.21536	36.3
625.26563	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	625.251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25086	0.6
54.22229	0.7
54.85794	0.6
57.03448	0.7
58.42100	0.6
59.01379	67.4
60.64832	0.8
61.98822	2.7
69.31186	2.5
69.31619	4.5
71.01380	8.6
72.99316	1.2
73.02953	1.7
79.95705	3.7
85.02950	4.0
88.98815	0.9
89.02437	3.5
96.96009	78.1
101.02441	4.2
103.04086	0.9
104.00066	0.7
109.02954	2.2
113.02454	4.3
119.03515	1.3
121.02966	8.0
121.03793	1.2
122.03707	1.0
135.04539	3.6
137.02400	1.2
151.00410	1.1
161.02449	0.7
161.04535	2.5
163.04039	3.3
164.16377	0.8
165.05605	1.1
178.99896	0.9
179.03246	0.7
181.04958	0.8
193.06641	0.6
221.68456	0.7
222.09554	0.8
255.02888	2.2
271.02466	5.9
289.11148	100.0
290.11517	4.6
300.02740	13.7
301.03415	2.7
315.05099	9.3
316.02084	1.9
359.27878	0.9
377.28787	1.1
388.15244	12.9
403.17581	37.9
404.17877	3.0
463.08765	4.4
521.27582	0.8
521.33533	6.1
539.34259	1.4
581.33221	2.6
625.12183	4.5
625.22247	1.8
625.31982	4.1
626.24457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00748	1.1
56.23367	1.1
57.03442	3.1
59.01373	5.0
69.75484	6.3
71.01373	1.9
72.99331	1.2
83.01396	1.2
85.02946	5.8
87.00874	100.0
88.01231	1.0
89.02437	1.4
95.05013	2.2
97.06592	3.9
98.03737	1.6
98.20726	1.8
98.60317	1.0
99.08157	2.2
101.02442	1.2
103.59134	1.0
107.05024	3.3
111.08149	3.9
115.00331	1.1
120.02016	1.1
123.04605	2.3
123.08192	1.3
124.01675	2.4
125.06120	5.4
127.07648	14.0
129.01950	17.0
137.06068	1.6
139.07655	13.6
147.02995	27.9
149.06087	4.5
151.07600	1.6
155.07135	39.6
158.87376	1.0
167.07130	25.6
180.51050	1.0
227.09229	9.8
245.10207	6.1
289.09113	3.0
432.72238	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01379	6.5
61.98813	0.5
63.87137	0.2
69.89595	0.9
71.01384	1.5
73.02943	0.7
81.03442	0.3
83.01371	0.4
83.05010	0.3
83.18001	0.2
83.73372	0.2
85.02966	1.1
87.00841	0.2
89.02428	0.9
95.01366	0.4
96.96008	0.9
101.02451	1.1
109.02963	2.0
113.02450	0.7
119.03500	0.3
121.02982	0.5
123.00880	0.2
123.04491	0.5
124.01672	3.2
125.02444	5.4
127.27228	0.2
131.04958	0.3
133.06573	0.3
135.04533	0.4
136.01662	0.5
137.02454	13.8
138.03238	5.4
139.04021	6.9
143.03514	0.3
145.02962	0.5
149.02431	0.3
150.03169	0.7
151.00352	0.7
151.03995	4.4
152.04787	3.6
153.02002	0.3
153.05542	0.9
159.04462	0.3
162.03235	1.5
163.04010	1.8
164.04823	1.1
165.05600	2.0
165.12936	0.2
166.02702	0.4
166.06328	0.5
167.03494	0.3
170.02232	0.3
175.04008	1.0
176.04788	1.5
177.05595	2.9
178.99889	0.3
179.03522	0.9
179.05661	0.4
179.07149	0.6
180.04294	5.1
181.05058	8.8
182.05536	0.3
184.03723	0.9
188.04845	0.3
189.05528	0.9
190.06352	0.6
191.07167	0.7
192.07869	0.3
193.05118	0.3
194.05826	3.7
195.06624	17.6
196.06927	0.7
205.04971	0.5
205.08742	0.4
206.05843	0.9
207.06624	2.4
208.07367	0.5
209.08205	3.8
209.11800	4.2
210.08420	0.3
214.96547	0.4
220.07462	0.3
221.08275	0.6
223.06044	0.6
227.12846	1.1
232.86804	0.3
235.08113	0.3
236.06912	0.3
237.07674	0.8
238.08473	0.4
239.09274	0.5
253.10889	0.4
255.02905	0.3
269.04700	0.4
271.02438	1.0
272.03168	0.4
284.06802	0.5
296.06985	0.3
299.01895	0.8
299.09375	1.1
300.02692	0.6
301.03479	0.4
303.09015	0.5
311.09253	0.4
316.02267	0.9
343.11890	0.5
345.09323	0.2
361.12946	4.8
361.16754	0.2
373.12872	1.9
375.14404	1.8
377.16006	0.4
385.12939	1.2
391.13934	11.2
392.14365	0.8
397.13525	1.7
404.14642	0.3
405.15604	0.5
406.16281	13.7
407.16791	1.1
415.14749	1.2
421.18658	100.0
422.18967	8.0
521.33008	1.0
565.22858	0.7
607.12787	0.4
625.14099	1.4
625.25763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.8
58.00558	1.2
59.01381	67.9
69.03432	1.2
69.56931	5.2
69.57347	1.8
71.01019	1.8
71.01385	29.3
72.34790	1.1
72.99293	1.8
73.02627	1.2
73.02949	13.2
73.66463	1.0
83.01356	1.8
83.04993	1.5
85.02950	14.3
87.00829	1.7
89.02450	14.8
95.01380	3.1
97.02911	1.5
97.06601	2.9
99.00858	1.5
99.04455	1.1
101.01820	1.4
101.02448	14.3
113.01718	1.8
113.02449	19.9
119.03504	7.1
120.34641	1.0
124.01615	1.8
125.02403	2.2
143.03444	1.7
149.02336	1.6
150.03201	2.8
151.03981	1.9
161.04501	5.0
163.03958	1.3
165.05463	2.9
175.03961	4.6
179.05534	3.4
180.04210	3.3
181.04991	1.2
185.66180	1.3
189.05412	1.7
190.06233	5.0
191.07016	3.3
193.05020	1.9
194.05763	1.3
195.06523	1.5
199.03952	2.6
205.08575	5.3
208.07253	3.3
223.05963	1.4
227.03331	2.4
243.03059	6.3
245.19070	1.3
254.02101	1.7
255.02980	11.2
256.03284	1.5
271.02460	53.6
272.02786	3.9
287.22128	4.3
296.30475	1.6
298.98657	2.3
299.01947	36.5
300.02722	100.0
301.03098	7.1
311.18597	1.4
314.04163	4.5
315.05084	84.0
316.05627	6.7
316.09201	1.3
357.26361	7.4
375.27518	8.5
389.16086	28.6
390.16272	3.3
419.13110	1.8
449.27533	3.0
519.31726	98.3
520.32147	9.5
537.32727	16.0
538.32703	1.4
579.34015	10.0
623.15912	55.7
624.16119	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	623.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.9
57.03444	6.5
58.00577	1.4
59.01379	100.0
60.01706	4.0
60.99300	1.5
61.01802	2.6
61.98821	4.2
65.02985	1.2
66.64301	1.2
69.03456	5.0
71.01381	16.3
72.99306	3.3
73.02948	6.9
79.95743	2.1
81.03477	1.3
83.01389	2.0
83.05014	3.7
85.02950	13.2
87.00883	15.0
87.04507	5.8
88.98793	3.1
89.02442	7.1
93.03468	2.1
95.01385	2.0
96.95992	3.1
97.02917	1.7
97.06584	1.3
98.19934	3.2
99.00867	1.5
99.04519	1.9
101.02448	10.4
103.00365	12.9
108.58746	1.1
111.00833	1.5
113.02465	8.1
119.03492	2.7
125.02528	1.4
135.08139	2.7
137.06082	2.7
138.49864	1.2
149.06082	1.9
157.10211	1.2
157.21780	1.5
159.59958	1.4
259.12820	1.2
309.22092	1.7
337.20612	2.0
353.20880	1.7
354.21448	2.6
355.22092	2.7
357.26544	1.7
395.21939	2.0
396.22586	1.5
397.22946	5.3
399.20898	4.2
399.87122	1.4
413.23282	5.8
414.23688	5.7
415.23880	17.6
441.21979	5.5
455.24438	1.9
456.24741	2.2
457.25729	6.8
458.22446	7.2
459.23215	24.9
473.24759	1.7
475.26025	4.0
489.24417	1.9
501.24023	10.5
503.22052	6.1
503.32077	18.1
513.14954	1.3
517.24451	1.9
518.24841	3.1
519.25366	29.0
519.32025	2.8
520.25873	4.3
521.33258	3.5
545.22693	2.0
561.23517	3.8
562.23724	4.6
563.24268	70.3
563.33588	4.4
564.24799	5.5
579.25024	1.9
579.33881	24.4
580.34271	3.1
623.27136	8.9
623.36298	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	625.1407
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
53.99851	0.6
63.02395	0.8
63.19297	0.5
64.25440	0.6
69.21771	5.3
74.54086	0.6
75.90392	0.5
98.20449	2.5
107.01388	1.3
107.95110	0.6
109.03001	0.6
124.01682	2.4
129.43503	0.6
136.01628	0.7
137.02457	2.2
151.00389	6.4
152.01118	0.7
163.00375	1.1
164.01176	1.8
178.99832	7.8
192.00769	0.5
203.03481	1.2
214.02690	7.2
215.03278	0.9
219.28250	0.6
227.03482	0.9
242.02184	5.4
243.02965	3.5
259.02496	6.7
270.01740	7.6
271.02475	42.9
272.02856	1.3
287.01987	23.2
288.02573	2.9
299.01825	1.1
300.03000	0.8
316.02228	96.2
317.02875	13.9
318.03467	0.8
461.78909	0.5
483.51703	0.6
579.71765	0.6
625.14075	100.0
626.14587	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2858
Annotation	Scortechinone I
Peak:m/z	Relative Intensity
52.02095	0.2
59.01378	44.3
60.01706	0.3
61.98831	3.9
67.01888	0.4
69.03453	0.3
69.92262	1.1
71.01373	0.7
78.95912	0.3
83.05016	0.4
85.02969	0.5
93.03464	0.3
99.04536	0.5
107.75179	0.2
119.05038	0.4
121.02953	100.0
122.03288	2.7
125.02409	0.2
147.04533	0.9
147.08128	0.4
163.19331	0.2
165.35637	0.3
185.02786	0.2
207.10170	0.3
211.13420	0.3
225.11348	0.4
234.62364	0.2
337.48694	0.2
399.21582	0.3
415.25067	0.4
501.26346	0.3
505.32056	0.3
519.27472	21.4
520.27588	2.2
520.34680	0.3
537.28534	2.3
579.29742	0.7
591.41492	0.3
623.28491	23.3
624.28748	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	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.4
59.01379	36.8
61.98827	3.1
69.03455	0.5
71.01391	1.3
83.05042	1.3
85.02908	0.5
97.02969	0.4
98.19760	0.7
98.20422	2.3
99.04520	29.2
121.02956	68.1
122.03291	1.4
127.04005	0.5
145.06621	2.1
147.04497	0.9
147.08150	0.9
149.09698	0.4
158.89708	0.3
163.07704	0.4
171.08116	0.8
185.09782	0.6
198.59097	0.3
199.11269	1.0
201.12764	0.5
203.14333	0.4
210.06796	0.5
212.08389	0.6
225.09195	0.9
227.10791	4.0
227.14369	0.4
239.10744	0.5
255.13940	0.4
281.15308	0.6
289.50635	0.4
295.15488	1.7
299.16541	1.0
347.20029	0.5
365.21146	0.7
413.23318	6.1
415.24838	0.4
439.21393	2.0
459.23792	2.1
495.27686	2.3
519.27545	5.9
521.25372	4.6
539.26489	39.0
540.26892	3.5
563.26489	11.3
564.26733	1.2
581.27515	100.0
582.27856	10.4
623.28162	6.4
624.29437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01832	0.3
52.92104	0.3
59.01379	54.2
60.01707	0.6
61.98831	9.2
64.35732	0.3
69.03442	0.4
71.01385	1.2
78.95921	0.6
83.05029	1.0
85.02956	3.0
93.03478	0.7
95.05008	0.3
97.06584	0.8
98.20605	0.6
99.04519	9.6
100.04903	0.5
110.96923	0.3
111.04550	0.4
119.03541	0.4
119.05014	0.6
121.02954	100.0
122.03292	2.6
147.04503	1.1
147.08174	0.8
152.99599	0.5
161.06116	0.3
163.07649	0.3
198.23843	0.3
207.10252	0.4
244.19408	0.3
305.19067	0.3
361.61401	0.3
365.21448	0.4
407.07413	0.4
411.87222	0.3
413.23245	1.5
414.23856	0.4
422.35886	0.3
431.24527	0.6
441.19028	0.5
443.27847	1.0
459.23843	1.6
467.23492	0.3
471.25214	0.5
475.25018	0.5
491.28262	0.5
519.27515	20.4
520.27692	2.0
521.26306	0.4
525.21252	0.8
537.28815	2.7
538.28870	0.5
539.26538	2.0
541.23853	0.4
541.31366	0.4
563.26563	1.8
579.29535	0.9
581.27179	1.2
595.28632	0.4
623.28528	36.7
624.28839	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	623.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.7
59.01379	71.8
60.01724	0.8
61.98834	1.4
71.01383	13.8
72.99303	0.7
73.02946	15.0
75.00886	1.2
83.01376	3.5
85.02961	3.5
87.00866	0.6
89.02440	6.1
95.01396	0.6
97.02992	0.4
98.20776	0.7
99.04510	0.8
101.02443	13.4
103.03998	2.3
109.06587	0.5
113.02438	4.4
118.98099	0.5
119.03530	2.3
121.02944	0.7
125.02425	0.6
131.03558	0.6
131.78078	0.4
147.04559	0.6
149.04619	0.7
161.04533	1.7
192.05032	0.4
197.15422	0.9
221.19109	1.4
224.74344	0.4
235.13326	0.5
265.09305	0.7
307.10391	1.5
315.25333	2.7
357.26471	1.3
376.63846	0.5
443.27997	0.7
449.59448	0.4
458.55023	0.4
459.29593	0.8
477.30322	0.8
519.31317	0.9
537.32874	1.2
579.33807	100.0
580.34235	10.2
623.26776	1.2
623.36530	7.1
624.36780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94112	2.0
55.42131	2.1
56.34305	2.0
57.03435	8.4
57.98813	1.8
59.01381	85.7
69.03453	7.6
71.01377	19.8
71.54652	2.6
72.99290	3.5
73.02934	8.1
79.05540	2.2
83.01378	4.1
83.05022	6.1
83.88596	2.0
85.02948	13.4
85.32211	2.0
87.00856	4.9
87.04519	8.7
89.02430	13.1
96.95997	6.9
101.02440	14.2
103.62566	2.2
109.02908	2.0
109.06548	2.2
113.02443	12.0
113.03139	2.0
117.12214	1.9
119.03515	4.7
125.02453	1.8
125.87558	1.9
135.04562	2.5
135.08177	3.1
137.02399	2.2
137.68307	1.8
137.89497	1.9
161.04515	3.2
181.04945	2.4
182.05482	2.4
183.05348	2.3
204.18301	2.2
289.11157	8.2
315.01740	2.2
321.21918	2.2
332.90778	2.4
357.26328	4.7
375.27133	2.3
385.23364	2.4
397.23633	2.7
399.21991	2.3
402.04050	2.5
404.14502	2.1
413.23294	5.0
415.24765	9.0
418.15369	3.6
419.16272	8.5
429.22726	4.7
441.22775	11.6
459.23865	56.7
460.24020	5.4
461.29160	2.6
475.26913	6.8
489.24899	5.3
500.54623	2.2
501.24850	16.2
503.22702	15.8
519.25562	60.6
519.32031	11.6
520.26294	6.1
537.32587	7.1
545.23828	6.5
561.26520	3.1
563.24933	100.0
564.25598	12.6
579.33234	23.2
623.24469	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	623.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46400	1.2
57.03442	14.2
58.47862	1.2
59.01369	5.7
59.19396	1.5
71.01369	2.5
71.29903	2.8
72.80452	1.2
74.94596	1.2
85.02937	3.3
89.02418	2.2
97.06612	1.4
99.04518	6.4
101.02437	3.7
107.03871	1.2
109.06589	6.3
111.04514	1.7
119.03496	2.7
123.04484	1.8
123.08142	5.1
124.05280	7.9
125.02441	1.7
129.09213	2.0
136.05278	3.0
139.07651	36.2
139.96175	1.3
151.07649	19.5
153.09227	3.3
159.08112	1.4
161.04460	1.7
161.09708	3.6
169.08780	1.6
179.10774	25.0
181.12398	2.2
183.62766	1.3
191.10771	5.2
207.08618	2.6
207.10329	1.6
209.11827	12.1
227.12892	9.0
271.11853	100.0
272.12204	4.5
318.51144	1.4
351.13068	6.3
351.59073	1.3
453.32587	1.3
571.68347	1.6
579.24414	2.3
623.23157	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	623.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50331	0.6
53.03228	0.6
54.99841	0.5
57.03196	1.0
57.03447	9.6
59.01376	5.4
69.03468	1.0
71.01378	2.3
71.53456	1.0
72.99300	0.7
73.02946	1.0
81.03476	0.6
84.81687	0.6
85.02947	5.1
87.04507	0.7
89.02445	1.2
93.03461	1.0
95.05031	1.3
97.06579	1.9
99.00856	0.7
99.04520	5.2
99.08137	0.7
101.02441	3.2
103.03995	1.2
107.04990	0.6
109.06583	5.0
119.03465	2.0
119.05008	2.2
121.02940	0.9
123.04510	1.3
123.08167	4.8
124.05296	6.8
125.02441	2.8
129.01947	1.3
129.09230	1.7
133.02972	1.4
135.04489	1.1
136.05302	2.6
139.07651	33.7
140.07988	0.9
147.02914	1.4
149.09662	0.7
151.07648	17.6
151.11246	1.7
153.09180	4.5
159.08157	0.7
161.09698	3.4
163.04005	2.1
163.07610	0.9
165.09189	1.5
169.08676	1.7
175.07634	1.1
177.09154	0.7
179.05690	0.6
179.10762	22.0
180.11093	1.0
181.12341	2.3
189.09258	1.0
191.01981	1.1
191.10759	5.6
193.05017	1.0
197.11812	3.3
207.08656	2.1
207.10417	1.0
209.11824	10.1
227.12885	9.2
271.11850	100.0
272.12173	3.4
286.21021	0.7
351.07529	0.9
351.12860	7.4
392.24170	0.6
399.85107	0.6
579.24780	1.7
623.23596	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	623.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42424	0.7
57.34726	0.8
59.01381	5.6
61.98832	46.4
71.01380	2.1
71.52769	1.1
78.95905	0.8
85.02953	5.3
89.02396	0.7
99.04517	2.8
103.05542	1.5
109.22522	0.7
113.02425	0.9
119.04988	1.7
121.02954	7.4
145.06621	0.7
147.04523	100.0
148.04890	2.7
160.00320	0.8
197.12120	0.8
203.82449	0.7
207.10085	0.9
225.11284	1.1
227.10753	0.7
267.10284	1.6
354.12994	0.9
579.26147	2.2
587.26471	24.5
588.27271	3.7
623.26477	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	623.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06618	1.0
55.01862	1.3
57.03436	2.9
59.01370	4.2
69.03440	1.9
69.65959	4.4
71.01382	10.4
72.99306	9.1
73.02936	9.2
79.05537	1.0
81.03445	2.1
83.05042	2.1
85.02952	7.4
87.00889	13.5
89.02426	3.9
93.03455	4.8
95.01358	1.1
95.05031	3.0
97.02954	3.1
99.00888	7.0
99.04510	3.7
101.02414	2.6
107.05013	3.0
107.34395	0.8
108.02179	1.4
109.02953	5.9
109.06555	1.5
111.04511	6.9
113.02425	1.0
117.05505	0.9
119.03500	53.7
121.02955	17.8
121.06561	3.8
123.04530	7.7
123.08165	1.1
125.02445	2.0
127.04031	5.4
133.06564	1.7
134.03697	2.4
135.04527	2.5
137.02422	2.4
137.06078	3.9
139.04047	2.3
147.04456	2.2
149.02406	2.2
149.06071	8.3
150.03162	2.9
151.03973	7.5
161.06020	1.4
165.01878	0.9
165.05565	5.2
167.03464	4.9
167.07155	1.1
175.03944	2.1
175.07654	1.4
175.11253	1.6
176.04643	2.3
177.05545	3.4
193.05045	18.0
194.05757	4.1
195.06647	2.4
211.06036	4.8
211.13394	1.2
257.13910	16.4
332.37299	1.0
365.14331	4.5
383.18756	2.5
411.18341	1.2
413.19574	1.3
419.17117	1.2
431.20657	1.2
433.18692	3.0
459.20081	8.6
477.21436	6.9
531.22540	2.2
535.21765	2.1
561.23450	8.5
562.23114	1.3
579.24457	36.8
580.24750	3.4
605.21967	1.6
623.23431	100.0
624.23651	9.7
644.23340	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1616
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
59.01370	2.1
65.00329	0.6
65.21033	0.5
70.50867	1.7
71.01389	1.3
71.60110	0.5
75.69866	0.5
85.02930	0.6
107.01332	0.8
108.02215	0.6
113.02426	0.7
124.01608	0.5
137.02480	0.9
145.02963	0.6
147.04520	0.6
148.01619	0.7
151.00352	3.3
151.03978	1.5
163.00314	0.7
163.03990	1.3
164.01076	0.5
174.03210	1.1
175.04002	5.2
175.23216	0.6
176.04768	1.3
177.05582	0.7
180.04272	1.2
187.03917	0.7
188.04744	1.0
189.05508	1.8
190.06314	5.7
191.07126	3.2
193.05013	1.1
194.05829	1.9
199.04025	2.6
205.08664	4.3
207.06569	1.8
208.07437	3.7
215.03557	1.5
222.09019	0.7
226.02641	1.1
227.03543	3.8
242.02319	0.7
243.02950	10.2
244.03685	0.6
254.02269	1.4
255.02966	13.4
271.02466	62.9
272.02942	5.0
285.03964	2.3
299.01965	48.0
300.02725	100.0
301.03177	4.2
314.04294	12.1
315.05090	90.2
316.05453	4.3
374.13800	0.6
389.16034	30.1
390.16681	1.1
419.17056	1.4
519.31836	2.4
579.33136	0.6
605.39850	0.6
623.16138	75.7
624.16602	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97538	0.2
56.11384	0.2
59.01376	3.2
69.25556	1.6
69.25960	0.5
69.93623	0.2
71.01382	1.2
73.02994	0.2
76.44185	0.2
82.88700	0.2
85.02975	1.0
88.98833	0.3
89.02470	0.9
96.95986	0.3
99.00881	0.2
101.02472	0.6
109.02955	0.6
113.02457	0.8
121.03112	0.3
124.01686	0.4
125.02446	0.3
136.01666	0.6
137.02444	3.6
138.03250	0.3
139.00363	0.9
145.02927	1.9
147.04532	1.9
150.03307	0.3
151.00357	0.7
151.04013	4.5
152.04797	1.2
153.01930	0.7
158.03781	0.4
159.04518	0.3
161.04793	0.3
161.06099	0.7
162.03232	0.5
163.03993	4.6
164.04799	0.3
165.01955	0.6
165.05496	0.4
166.02705	0.5
166.06326	0.9
167.03477	0.5
167.07164	0.3
173.02480	0.7
173.06090	0.5
174.03185	3.2
175.03998	15.0
176.04758	3.6
177.05585	2.0
178.02711	0.5
179.03468	1.1
179.05576	0.3
180.04274	7.3
180.05801	0.4
181.05034	1.0
183.06737	0.3
184.03764	0.3
188.04782	3.2
189.05556	5.8
190.06343	19.0
191.03490	0.8
191.07127	14.4
192.04285	1.1
192.07501	0.6
193.05051	7.8
193.06805	0.5
194.05835	7.2
195.06415	0.3
198.05365	0.6
199.04010	0.3
203.07147	2.4
204.07953	0.3
205.08682	17.9
206.05812	0.6
206.09082	0.6
207.06609	6.3
207.10226	0.3
208.07394	15.3
209.04546	0.5
209.07788	0.4
222.08948	3.1
223.06172	0.3
223.09654	1.1
225.11322	0.3
227.03473	0.4
243.02995	2.4
255.02904	1.5
271.02457	5.8
272.03018	0.4
285.04071	0.6
299.01959	6.6
300.02701	5.8
301.03168	0.3
314.04327	3.8
315.05087	7.4
316.05426	0.4
329.10349	0.3
344.12491	0.4
359.11304	0.8
374.13681	2.5
375.13977	0.3
389.16034	100.0
390.16360	7.2
419.17123	3.8
420.16989	0.3
443.22791	0.3
519.31879	1.7
561.30286	0.2
563.21423	0.3
623.16040	10.5
623.26306	0.6
624.16528	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03448	2.1
58.00595	0.5
59.01381	69.8
60.01693	0.7
61.98836	1.0
69.03453	1.6
69.43769	3.8
71.01381	17.4
72.99324	0.9
73.02945	7.3
74.99088	0.8
76.62200	0.5
83.01405	2.9
83.05066	0.7
85.02950	7.5
85.06614	0.5
87.00890	1.6
87.04510	0.7
89.02446	9.3
95.01402	1.9
96.96023	1.2
97.02956	0.8
99.00891	2.1
101.02437	10.4
113.02453	7.3
119.03526	1.8
136.01729	0.7
143.03528	0.7
151.03964	1.0
159.02962	0.9
161.04602	1.3
173.14973	0.5
192.17479	0.6
211.17062	1.2
247.79688	0.5
265.09305	0.9
327.25378	0.6
329.27014	1.6
337.23865	0.6
355.11703	0.9
355.24689	1.7
357.13428	1.1
395.22189	0.9
413.23184	2.0
439.21225	1.2
455.24408	1.4
457.22235	4.2
473.31079	0.6
481.23523	0.6
491.32245	1.1
499.29306	1.1
517.24420	2.0
517.30701	1.1
535.31659	1.2
561.22876	5.7
577.32263	100.0
578.32465	9.6
579.30084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
57.03450	6.0
59.01383	82.2
60.01710	1.9
61.01815	0.9
61.26746	0.9
61.98821	4.1
68.99570	1.1
69.17612	7.6
69.18044	1.7
71.01385	20.8
71.05020	3.6
72.99310	3.6
73.02950	11.9
75.00882	1.1
83.01399	3.2
83.05057	1.0
85.02956	11.5
85.06587	1.0
87.00874	3.4
89.02447	9.9
95.01410	1.8
96.96031	2.5
99.00874	1.8
99.04524	3.9
99.92577	3.5
101.02446	20.3
103.04005	6.2
112.98602	1.2
113.02471	8.9
115.92062	3.0
116.92878	2.5
119.03511	3.7
121.02975	5.7
143.10925	1.0
145.03003	0.9
147.04546	2.8
161.04539	2.0
189.09180	1.0
235.13393	2.7
237.22220	1.8
238.70027	0.9
265.09195	1.6
278.35565	0.9
295.22775	6.1
307.10321	3.2
337.27377	1.5
355.24680	1.7
355.28561	8.6
365.42511	0.9
373.25723	1.2
437.59961	0.9
441.26111	1.0
473.25604	1.1
503.23041	2.1
517.33850	3.8
535.34912	5.6
577.36249	100.0
578.36786	8.6
589.22168	2.6
603.25818	1.2
621.35229	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	621.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22991	0.4
61.98829	100.0
64.72921	0.4
69.73280	1.8
70.49937	0.4
78.95910	0.7
79.77179	0.4
81.43435	0.4
98.20605	0.8
118.36291	0.4
152.99611	0.4
175.82257	0.3
189.74925	0.4
204.76762	0.4
255.23395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.1
55.50069	0.7
57.03450	1.7
59.01380	84.4
60.01720	1.6
61.01804	0.9
61.98822	1.0
66.88378	0.6
69.25996	5.1
71.01386	8.8
72.99309	1.5
73.02940	6.9
83.01398	2.0
83.05044	0.9
85.02951	5.4
86.92726	0.6
87.00874	1.1
87.04509	0.9
89.02450	2.3
91.13346	0.6
95.01398	1.3
97.02930	0.7
98.19920	1.3
99.00915	1.7
99.04533	4.5
101.02451	10.3
102.02740	0.8
103.04012	1.8
111.00906	0.7
113.02448	2.9
113.06937	0.6
119.03506	0.6
123.08191	1.0
141.12881	0.7
143.03452	0.7
147.04527	3.7
161.04610	0.6
265.09155	1.1
277.21793	1.9
281.67142	0.6
297.69476	0.7
307.10434	0.8
355.25037	1.2
373.26102	1.1
439.27036	2.9
457.28241	3.2
475.29315	1.7
479.22903	1.8
535.30994	2.0
560.29645	0.6
577.32202	100.0
578.32477	8.9
589.21863	0.7
603.26154	1.6
621.35077	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	621.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	82.6
59.01381	54.3
69.03452	4.7
69.13097	1.2
69.26968	10.3
71.01377	8.5
73.02946	5.7
81.03471	1.1
83.01388	2.7
85.02969	5.1
87.00899	1.9
97.06587	1.8
98.20188	5.6
99.00915	2.2
99.04525	59.8
100.04855	1.4
101.02447	29.1
103.04013	2.9
109.06588	2.6
113.02456	4.3
113.96607	1.5
117.05582	2.0
119.03463	1.8
121.06605	2.6
123.08183	3.5
125.02451	22.3
135.04572	1.6
137.09735	16.2
143.03516	5.1
147.02980	3.8
149.09685	3.4
151.11305	5.0
153.09209	3.0
153.12846	5.5
161.04559	5.1
163.11325	6.2
165.12862	8.4
181.12349	15.0
183.13881	18.7
193.12367	5.2
211.13388	36.4
221.10307	24.6
227.12846	1.5
255.12389	100.0
256.12723	2.2
263.11261	11.9
281.01801	1.4
301.49182	1.2
303.14499	5.9
308.79453	1.2
365.14502	91.1
366.14862	5.3
448.25861	1.4
518.36127	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.5
59.01379	63.5
59.83544	0.5
63.22637	0.5
66.91309	0.5
69.03462	1.0
71.01369	0.7
72.99300	1.1
83.05027	1.1
84.83540	0.5
85.02945	1.0
87.00890	0.9
87.04513	2.8
98.20097	2.4
151.11285	3.5
170.73967	0.5
202.67133	0.6
279.16016	1.0
323.23840	0.5
337.25455	1.0
355.26361	1.6
367.26358	1.4
383.25751	1.3
385.27463	7.4
410.01437	0.6
413.26779	2.3
425.26929	1.7
427.28204	0.7
431.27863	1.8
455.27921	0.7
471.27582	0.7
473.29041	100.0
474.29361	7.7
475.26956	1.3
517.27887	1.0
535.29181	3.3
577.30096	12.4
578.30060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98231	0.5
53.49433	0.5
54.20034	0.5
54.24096	0.5
55.01873	1.0
57.03434	2.6
58.00583	1.0
59.01382	56.5
61.35523	0.5
69.03440	0.9
69.32261	1.2
69.32670	4.0
71.01382	18.6
72.99290	2.0
73.02953	19.7
75.00902	0.6
76.00874	0.5
80.55676	0.5
83.01401	4.5
83.04983	1.1
85.02958	5.4
85.06588	0.6
87.00892	4.5
89.02451	8.2
91.60052	0.5
95.01389	0.8
99.00853	0.8
101.02448	16.1
110.30081	0.6
113.02446	6.2
119.03489	2.8
125.02422	0.6
130.89412	0.7
131.03470	1.2
143.03436	0.8
161.04549	2.0
169.12286	0.7
179.05574	0.8
211.17001	2.5
223.13373	0.8
235.20709	0.6
329.26926	1.7
337.23856	0.8
355.24738	2.8
413.23352	1.1
431.24384	3.0
473.25449	17.6
473.32086	1.4
474.25641	1.1
491.31842	0.7
517.24097	0.9
535.31213	0.9
559.30994	1.5
577.32288	100.0
578.32617	8.3
621.26532	0.9
621.35791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99202	0.5
59.01353	0.5
59.04413	0.4
61.98820	3.3
71.52912	0.9
72.55418	0.5
98.20164	0.6
103.00330	0.5
187.16078	0.5
242.00478	0.5
255.22942	0.5
277.21759	1.1
385.46548	0.5
431.15057	0.7
445.16772	2.0
446.17328	2.7
459.22650	3.1
460.19031	10.0
461.19812	25.5
462.20361	2.3
474.20685	1.7
475.21216	3.6
503.20517	0.8
519.20313	12.8
520.20679	2.0
533.21680	1.4
534.22040	0.7
621.27148	100.0
622.27509	11.7
622.36926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	3.1
68.89005	0.3
70.35241	1.0
72.73573	0.3
98.57706	0.3
108.08210	0.3
138.55249	0.3
161.02333	0.3
194.89516	0.3
225.13960	0.3
239.32184	0.3
277.21967	0.3
347.68329	0.3
435.21860	0.3
445.16528	2.1
446.17340	2.7
459.22205	3.6
460.19019	9.4
461.19800	24.9
462.20184	1.9
474.20712	1.2
475.21429	4.4
476.21793	0.4
487.21133	0.3
519.20367	13.9
520.20929	1.8
533.21875	1.3
534.22626	0.4
566.44849	0.3
606.25140	0.5
621.27161	100.0
622.27454	11.8
644.48749	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2703
Annotation	Taxezopidine J
Peak:m/z	Relative Intensity
52.37759	0.3
53.59428	0.3
58.25748	0.4
59.01380	9.8
61.98829	1.4
64.59652	0.3
64.90320	0.3
71.01392	0.5
77.03979	0.3
81.03466	0.4
82.78741	0.3
83.05026	0.4
87.04545	0.4
93.03487	0.5
99.04555	0.4
106.84928	0.4
121.02958	100.0
122.03296	1.9
125.06082	0.9
131.04938	0.3
145.06612	1.0
146.87459	0.3
147.04558	0.6
147.08162	0.5
160.05284	1.5
161.06059	0.8
162.48952	0.3
163.07715	0.4
187.07666	0.5
199.11249	0.7
200.08217	0.4
200.15030	0.4
203.14429	0.3
215.10732	0.9
233.15633	0.5
243.10204	1.1
248.08406	0.6
295.15463	0.5
321.05002	0.4
411.21805	0.5
413.23392	1.7
428.38852	0.4
429.22626	1.6
439.21082	0.8
457.22427	0.5
473.21814	0.5
517.25726	0.6
561.24866	10.4
562.25305	1.1
577.24225	0.7
579.26001	22.0
580.26276	2.3
621.26910	76.2
622.27338	10.9
636.79449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71219	0.3
53.95832	0.2
57.03439	0.2
58.13696	0.3
59.01379	14.0
61.16283	0.3
61.98828	4.9
63.92898	0.3
65.94199	0.3
71.01402	1.5
73.02930	0.4
75.00876	0.4
81.03461	0.5
83.05026	1.2
84.12458	0.2
85.02967	1.2
87.04514	1.0
91.05519	0.3
93.03460	1.1
95.05021	0.6
97.06570	0.3
97.91492	0.2
98.20263	2.1
99.00896	0.6
99.04539	1.0
101.06072	0.5
107.05012	0.3
108.02186	0.3
109.06561	0.5
111.04551	0.4
119.05019	1.3
121.02956	90.2
122.03260	1.7
123.04527	4.4
125.06083	0.6
127.04018	0.6
133.06598	1.0
143.04967	0.5
145.06592	1.5
147.04521	1.3
147.08188	0.4
149.06119	0.4
161.06084	1.2
171.08133	0.6
175.11302	0.5
177.05629	0.4
185.09608	0.4
187.11433	0.3
199.11285	0.7
201.09158	0.4
201.12808	0.3
217.12282	1.2
225.12802	0.4
241.14348	0.6
250.34770	0.3
266.09427	1.1
281.15460	0.4
295.15320	0.3
299.16541	0.4
347.20056	0.4
365.21320	0.4
413.23297	5.4
439.21759	0.6
455.20490	0.4
459.23706	0.6
464.21530	0.3
473.28366	0.3
535.26721	0.7
545.21655	1.1
561.24915	4.9
562.24939	0.6
577.24109	1.8
579.25964	35.3
580.26233	3.5
585.26630	0.4
621.27002	100.0
622.27338	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	621.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	6.3
59.01380	100.0
69.03460	13.0
69.53983	3.4
69.54393	4.8
71.01376	2.1
73.02946	1.5
76.71819	1.1
79.05513	1.3
83.05030	6.3
85.02947	2.0
87.04514	8.4
93.03465	4.3
96.95967	1.4
97.02943	2.6
98.20572	2.7
99.04530	2.0
101.02424	1.9
107.05064	2.2
107.08647	2.6
109.06582	2.0
113.02422	2.0
120.05788	1.5
133.06616	1.8
135.08185	6.7
137.06065	6.0
158.44414	1.2
169.10272	1.4
184.28529	1.2
189.12665	1.5
215.14334	1.6
281.19040	1.8
293.19278	1.6
295.17053	1.5
295.20316	1.6
307.20721	1.4
309.22183	4.5
323.20380	2.5
335.20020	2.0
343.22766	2.5
351.23447	2.2
353.21185	16.2
367.22723	3.5
369.24365	2.5
371.22290	4.7
383.22162	3.6
385.23511	2.5
395.22174	16.3
397.20068	9.3
401.23279	2.5
413.23291	41.9
414.23712	2.8
427.25082	2.5
439.21231	12.8
455.18289	2.0
455.24329	21.4
456.24405	2.2
457.22263	51.0
458.22638	5.5
473.25558	10.0
487.23062	3.7
499.23257	15.4
501.20972	4.8
517.24402	33.7
518.24768	3.1
543.22327	5.3
559.25214	2.8
561.23364	86.8
562.23468	8.8
573.69061	1.7
577.32281	12.3
578.33051	1.7
621.24927	1.7
628.08765	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	621.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01706	0.7
61.98825	1.0
68.99576	2.4
69.26788	1.9
69.27209	0.7
71.01387	1.2
72.99332	0.3
73.02957	0.6
85.02973	0.8
89.02451	0.5
93.03486	0.4
98.19853	0.5
98.20534	1.0
99.04521	0.6
101.02466	0.9
103.04015	0.7
106.77261	0.3
111.87256	0.3
112.98560	4.2
119.03471	0.4
121.02953	7.4
158.90790	0.3
190.06390	0.4
196.10072	0.3
342.14703	11.2
343.15158	0.7
357.17038	21.6
358.17566	1.4
473.28693	0.4
492.40646	0.3
501.30615	0.5
577.31378	3.9
603.27081	0.3
621.27924	0.4
621.35199	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57724	0.4
57.03465	0.3
59.01376	13.2
61.98825	8.1
69.20448	0.4
71.01383	0.5
71.54307	0.3
79.09929	0.3
80.36843	0.3
81.03468	0.3
83.05046	0.5
83.47224	0.3
85.02952	0.6
93.03435	0.6
97.02950	0.3
99.04512	1.1
109.06580	0.4
111.04523	0.5
119.89566	0.3
121.02954	100.0
122.03251	1.6
137.09602	0.4
145.06601	2.0
147.04517	15.0
148.04984	0.3
149.06131	0.4
171.08141	0.8
199.11331	0.9
201.12741	0.4
275.10345	0.3
279.57968	0.3
295.15585	0.4
413.23367	4.1
414.23209	0.3
439.21152	0.5
516.22791	0.5
535.26892	0.6
558.24396	2.5
561.24847	4.7
562.25116	0.5
579.25983	17.7
580.26208	2.1
621.26984	93.6
622.27350	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	621.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
56.57688	0.4
57.03447	3.1
58.00597	1.0
59.01377	76.0
60.01706	0.6
61.98835	2.0
69.03468	1.0
69.41182	2.9
71.01379	20.1
71.04999	0.5
72.99306	4.7
73.02943	20.1
74.03330	0.4
75.00874	1.2
83.01380	5.3
83.05034	0.9
85.02946	6.7
87.00872	15.9
87.04539	0.4
89.02436	9.7
95.01398	1.1
96.96027	0.7
97.02950	0.6
98.03746	1.6
98.19875	0.5
99.00884	1.0
99.04520	4.6
101.02438	16.4
101.03109	0.9
103.04001	1.2
109.06584	0.8
111.00851	0.5
113.02456	7.0
119.03517	2.7
121.02906	0.5
125.02435	0.7
129.05577	0.5
131.03522	0.8
135.04529	0.4
135.08150	0.4
143.03511	0.8
143.59729	0.4
149.04640	0.4
161.04567	2.0
179.05650	0.8
201.11307	0.7
211.16988	2.2
213.12753	0.4
223.13480	0.6
235.17046	0.4
235.20683	0.9
248.39793	0.4
259.13474	0.5
265.09210	0.8
277.14404	1.9
278.15237	3.4
299.20068	1.2
329.27011	1.9
330.27231	0.5
337.23804	1.0
339.23300	0.9
341.21115	0.5
355.24811	2.9
373.16446	1.2
373.21622	0.5
373.26096	1.1
401.23166	0.7
413.23386	3.1
431.24359	14.5
432.24576	0.6
433.22009	0.6
447.20078	0.9
449.21817	2.6
455.24683	0.8
457.22092	1.0
473.25409	67.6
474.25772	5.6
491.32047	0.7
499.29224	1.1
517.24225	1.6
517.30701	0.9
529.24341	1.6
531.25964	2.9
535.24921	1.9
535.32178	0.7
559.31042	1.6
561.23163	0.7
577.32251	100.0
578.32697	7.7
589.26550	1.4
621.25909	1.2
621.34814	2.2
646.74066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64697	11.2
59.01373	32.1
60.60558	11.4
61.98817	19.7
62.61852	10.0
70.70464	30.7
70.70821	18.1
71.64874	10.7
79.47287	12.3
84.14645	10.9
92.69592	10.5
102.25956	11.6
108.66467	11.7
121.02950	100.0
142.57074	11.5
171.73582	15.4
276.35315	16.6
360.26254	13.7
506.99161	13.3
579.25433	57.1
593.48138	12.3
621.26709	76.0
622.27179	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	621.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.2
59.01379	75.4
61.86110	1.7
65.46360	1.7
69.03441	7.7
69.19574	17.3
83.05018	4.0
85.02921	2.3
85.73514	1.8
87.04498	7.0
93.03455	5.1
107.08685	2.8
109.06528	2.6
119.71152	1.7
120.05795	1.9
121.06615	2.3
135.08130	4.1
137.06071	8.0
141.60083	1.8
147.62241	1.9
169.54503	1.8
293.19046	2.5
309.22375	4.1
323.20038	3.0
325.21362	3.0
335.20325	3.1
341.21078	2.9
343.22711	2.9
353.21112	11.8
367.22946	2.2
371.22256	3.8
373.23889	2.3
385.23578	3.1
395.22168	11.5
397.20074	8.5
413.23318	35.9
414.23785	2.4
427.24783	2.4
439.21066	6.3
455.24304	15.8
457.22290	41.2
458.22687	3.4
499.23550	14.0
501.21274	5.0
517.24377	35.9
518.24420	2.8
543.22351	2.7
561.23358	100.0
562.23535	7.7
621.24860	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20433	18.4
55.61701	16.5
58.13909	16.8
59.01369	42.8
61.98820	30.9
68.44920	17.8
70.15694	17.1
70.70455	42.7
74.48862	17.5
77.66491	18.2
85.64561	16.0
88.68561	17.9
94.28949	16.3
95.23271	21.0
98.17245	21.0
121.02983	100.0
210.73431	19.4
241.42828	20.3
583.28699	28.1
591.80157	20.0
621.26312	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07857	1.0
57.03422	1.1
59.01378	12.5
61.61631	0.7
61.98824	1.1
69.51434	5.6
71.01382	3.7
73.02936	2.3
78.02882	0.9
83.05011	0.8
85.02955	1.8
87.00878	1.1
89.02444	1.4
96.96022	2.5
99.04533	0.9
101.02413	1.2
109.02963	1.7
110.24030	0.8
113.02453	1.3
123.00861	3.5
137.02441	8.4
149.02380	1.1
151.00385	13.0
151.03972	1.3
152.04770	2.1
159.04478	0.8
166.02704	48.0
167.03416	2.7
177.01889	2.6
181.05060	62.6
182.05475	1.8
184.03799	1.0
191.03531	1.6
192.04303	1.1
193.05009	1.2
205.08691	1.4
206.19754	0.9
211.07616	3.2
281.94809	0.9
289.11273	2.8
357.09750	0.9
387.10822	13.5
402.13232	5.6
413.23346	1.4
417.15512	100.0
418.15762	7.9
457.22333	4.5
499.23407	1.3
501.21094	1.3
517.24237	1.9
519.11633	1.7
561.22589	4.6
577.32501	4.5
579.30170	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43497	0.5
57.03467	0.6
59.01381	22.6
60.01707	1.1
60.99308	0.6
61.01826	0.9
61.98832	10.7
66.61833	0.5
69.06210	0.5
71.01389	3.8
71.53719	0.6
72.99331	1.8
73.02954	1.9
75.00891	1.1
81.03464	1.0
82.95362	0.6
83.01419	0.5
83.05054	2.3
85.02981	2.4
87.00874	1.1
89.02483	0.5
93.03457	1.1
95.05053	0.7
99.00884	3.3
99.04532	2.8
101.02460	1.1
103.05541	1.5
103.99974	0.5
105.07094	0.6
107.05016	1.2
109.02968	1.0
109.06578	0.9
111.04535	1.4
113.56242	0.5
119.03569	0.9
119.05030	2.9
121.02956	62.3
121.06609	1.0
122.03272	1.4
123.04554	1.1
123.08094	0.6
125.02435	0.8
127.03993	2.9
133.06593	3.4
134.03720	0.6
135.04506	1.7
137.06105	1.4
138.74107	0.5
139.03993	0.8
147.04521	100.0
148.04884	4.9
149.06119	0.7
151.03963	1.3
159.08104	1.4
159.67244	0.5
161.06166	1.3
161.09608	0.8
165.05580	0.6
167.07141	1.1
171.10255	2.7
176.04805	0.8
179.07127	0.7
183.08162	0.6
184.08946	0.9
185.09822	1.1
187.07632	1.7
193.05025	2.8
194.05867	1.1
211.06136	1.6
225.12805	1.4
279.13797	0.6
386.27881	0.8
387.27872	0.9
437.15436	1.0
455.21017	1.0
471.27075	2.4
472.27902	4.4
473.17764	2.1
473.28305	14.2
474.28613	0.7
491.18924	2.0
535.27466	1.1
545.21344	3.5
559.22723	1.1
577.23596	6.6
577.36395	0.8
578.24231	0.9
579.25458	2.8
590.25006	0.7
603.22272	2.3
620.25201	0.7
621.24188	22.9
622.24078	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	620.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02224	0.4
57.89187	0.4
57.95377	0.4
59.00880	0.4
61.98830	100.0
62.09250	0.4
64.59447	0.4
70.58849	1.6
75.93025	0.5
78.95895	0.6
101.87821	0.4
117.82779	0.4
228.14249	0.4
286.51105	0.4
323.45673	0.5
586.18835	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84101	0.3
59.01371	2.3
69.69626	1.0
69.70024	0.4
69.74050	0.3
70.62505	0.3
71.01385	2.3
85.02949	0.6
89.02435	1.4
93.03456	58.6
93.72161	0.2
94.03787	1.2
94.15382	0.3
97.06618	0.4
101.02450	1.9
111.04555	0.6
113.02443	0.9
113.28986	0.2
119.03510	1.0
123.04481	0.3
137.02443	100.0
138.02774	2.5
141.05560	0.3
143.03551	0.4
143.24860	0.3
153.05580	0.3
161.04523	2.2
166.21933	0.3
166.59059	0.2
179.05626	1.0
211.06116	0.6
234.37721	0.3
299.07709	10.3
300.08041	0.6
303.10864	6.1
321.11884	2.6
397.05450	0.3
419.76135	0.3
420.39862	0.3
526.71265	0.3
528.00812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07857	1.0
57.03422	1.1
59.01378	12.5
61.61631	0.7
61.98824	1.1
69.51434	5.6
71.01382	3.7
73.02936	2.3
78.02882	0.9
83.05011	0.8
85.02955	1.8
87.00878	1.1
89.02444	1.4
96.96022	2.5
99.04533	0.9
101.02413	1.2
109.02963	1.7
110.24030	0.8
113.02453	1.3
123.00861	3.5
137.02441	8.4
149.02380	1.1
151.00385	13.0
151.03972	1.3
152.04770	2.1
159.04478	0.8
166.02704	48.0
167.03416	2.7
177.01889	2.6
181.05060	62.6
182.05475	1.8
184.03799	1.0
191.03531	1.6
192.04303	1.1
193.05009	1.2
205.08691	1.4
206.19754	0.9
211.07616	3.2
281.94809	0.9
289.11273	2.8
357.09750	0.9
387.10822	13.5
402.13232	5.6
413.23346	1.4
417.15512	100.0
418.15762	7.9
457.22333	4.5
499.23407	1.3
501.21094	1.3
517.24237	1.9
519.11633	1.7
561.22589	4.6
577.32501	4.5
579.30170	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	37.0
61.98823	18.7
69.35704	2.7
71.01370	11.1
71.52670	5.9
73.02973	3.5
73.43204	3.2
78.95905	7.0
79.18561	2.9
84.51984	2.8
89.02428	13.8
89.96423	2.8
95.38673	2.7
101.02456	4.2
113.02456	5.8
119.03521	3.2
119.05009	20.8
137.06032	3.4
205.32497	3.1
227.70216	2.8
232.32544	3.7
277.21722	100.0
278.22021	5.5
281.10159	6.1
291.23291	9.2
299.11310	6.7
319.22504	4.0
489.72598	3.5
601.44849	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	620.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
61.98830	100.0
62.98536	0.5
63.99260	0.5
69.15083	0.9
69.15504	0.9
88.95697	0.2
97.38882	0.2
98.20683	0.4
99.38090	0.2
103.79269	0.2
105.01939	0.4
105.95529	0.2
125.35390	0.2
133.87553	0.2
137.03427	0.2
159.44901	0.2
183.06738	0.2
210.85527	0.2
234.72261	0.2
339.73322	0.2
469.77124	0.2
577.67841	0.2
619.90643	0.2
621.27808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98344	0.5
52.22199	0.5
61.98831	100.0
63.99255	0.6
78.95915	1.1
152.99651	1.1
229.08061	0.5
255.23233	1.0
256.23691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90624	0.8
57.03447	5.1
59.01380	100.0
60.01722	1.0
61.98820	3.5
62.41225	0.8
63.01750	0.8
70.48135	0.9
71.01380	8.6
71.05024	1.0
71.21734	0.9
72.99317	2.1
73.02940	4.5
75.00879	1.2
77.11985	0.9
79.87820	0.9
83.01391	1.6
83.05017	1.4
85.02961	9.0
87.00864	1.4
87.04504	1.6
89.02448	3.6
90.13725	0.9
95.01427	1.1
95.05022	1.0
96.96014	3.8
98.19852	1.6
99.00883	2.6
99.04524	5.1
101.02437	8.8
101.06072	2.2
101.79168	0.9
103.04002	2.2
107.05045	1.0
113.02426	6.0
113.06097	2.0
115.04006	1.4
121.02961	6.2
125.02419	1.4
135.08102	1.0
141.24879	0.9
143.03482	1.1
147.04500	3.6
149.06067	1.1
161.04558	3.6
171.10214	1.1
199.13406	1.1
261.29370	1.0
265.09140	1.6
272.11426	1.4
307.10275	1.5
371.24109	1.4
371.28122	2.7
377.26862	1.4
405.26389	2.4
447.27573	3.1
466.29053	1.0
477.21512	1.5
502.90704	1.1
515.32263	11.4
531.29938	1.1
533.33240	2.3
575.28510	45.9
576.27802	1.4
576.35089	1.5
587.20715	4.6
601.24750	2.1
619.25623	6.7
619.35004	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	619.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	31.2
63.30259	0.4
64.39291	0.4
72.99313	5.5
85.02926	0.6
87.00874	8.6
89.03645	0.5
151.11337	1.2
151.94392	0.5
179.84111	0.4
259.13364	1.2
277.14365	1.0
278.15298	2.2
297.19437	0.4
297.22183	2.7
316.01038	0.4
337.25317	1.2
339.23303	0.5
349.25540	0.6
367.26709	0.6
381.24265	0.8
383.26022	1.1
399.25427	0.8
411.25540	2.0
429.26425	18.0
430.26968	2.3
431.24661	0.5
441.26343	0.8
453.26340	1.5
471.27478	100.0
472.27887	6.5
473.25259	1.4
515.26630	0.9
533.27393	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	619.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
57.11864	0.2
59.01379	100.0
60.01714	0.6
61.98832	2.3
69.41255	0.4
69.41576	1.7
71.01384	1.3
72.99316	0.5
73.02942	1.1
75.00903	0.2
81.03443	0.4
83.05034	0.9
84.31432	0.3
85.02962	1.6
87.00896	0.5
87.04512	1.1
88.41603	0.2
89.02453	0.5
95.05054	0.4
96.96014	1.5
97.02969	0.2
98.20014	0.4
99.04517	1.7
101.02432	1.1
103.04016	1.1
111.04575	0.6
113.02441	0.4
121.02937	0.5
123.08157	0.5
137.06120	0.2
147.04517	2.8
149.09767	0.4
171.10321	0.3
191.10733	0.2
233.98787	0.2
265.09363	0.5
265.45099	0.2
304.17603	0.2
307.10443	0.8
335.23413	0.2
371.24463	0.7
383.26044	0.4
393.85944	0.2
401.27344	0.4
411.25513	0.3
471.27646	0.4
473.25452	0.7
477.21439	0.7
515.26410	17.7
516.26831	1.4
533.27362	1.6
534.27533	0.3
559.28503	0.7
575.30084	2.9
587.21259	0.2
619.25934	1.4
619.33313	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	619.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84549	0.3
59.01379	100.0
61.98827	3.7
71.52837	0.8
75.00890	0.3
78.95922	0.7
100.93810	0.4
123.04519	5.0
145.06592	0.5
147.04546	1.2
152.99579	0.5
184.64497	0.4
309.73413	0.4
423.25684	0.5
559.30621	11.5
559.38904	0.7
560.31244	1.3
603.29987	1.0
644.12000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	50.6
60.01704	1.1
61.98820	2.1
67.77782	0.6
69.03434	0.6
71.01382	3.7
72.99313	1.0
73.02946	1.3
85.02949	1.7
87.00869	3.6
89.02476	1.0
89.75603	0.7
97.91837	0.5
99.04522	1.9
101.02438	1.9
101.06055	1.0
113.02441	1.9
121.02934	3.7
129.01898	1.0
136.21460	0.6
147.04527	1.8
149.09703	0.7
161.04491	0.9
171.10262	1.3
172.10550	1.0
179.05418	0.6
209.11789	0.7
261.14935	2.9
292.90314	0.6
353.24850	0.9
355.25690	0.6
411.25369	12.4
412.25647	1.1
429.26413	27.5
430.26846	1.9
441.25769	0.8
455.24460	0.7
469.25952	2.6
470.26419	2.1
471.27408	100.0
472.27844	7.9
473.25549	2.1
515.26422	25.2
516.26727	2.7
533.27014	2.9
545.26514	1.3
575.27582	3.7
619.25983	2.7
619.33447	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	619.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23878	3.2
59.01379	34.1
61.98820	16.1
62.37966	4.1
68.99570	100.0
71.37010	6.5
98.20107	5.2
99.04498	17.5
104.41092	3.8
108.48908	4.0
112.98557	97.0
121.02978	5.3
147.38916	3.6
209.11768	4.1
211.13370	4.9
242.10777	3.8
271.45264	3.9
453.06363	4.8
459.66119	4.5
471.27124	5.3
483.73566	4.0
515.69818	4.2
539.26862	5.1
619.26135	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30181	10.6
58.44598	10.1
59.01379	68.9
61.98819	50.5
78.95902	14.4
96.96011	11.9
98.20300	100.0
101.06077	91.2
102.32728	11.0
121.02948	48.3
145.02975	19.1
227.10770	15.8
322.37314	13.9
437.19562	20.1
539.26526	43.0
563.26758	16.5
619.26123	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	619.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29132	2.4
59.01386	48.8
61.98830	100.0
67.32448	3.1
71.01390	5.4
71.53191	3.3
83.04977	3.1
83.66057	2.5
85.02929	5.6
86.55698	3.2
89.02479	2.6
99.04515	11.6
100.98861	2.8
101.02439	3.7
119.05050	4.2
121.02956	44.1
124.03697	2.9
147.04521	13.8
147.95898	3.4
149.18524	2.8
202.18124	3.2
211.13397	6.6
309.20746	3.6
471.27390	11.2
533.26385	4.3
537.25360	3.2
575.08234	3.1
619.24677	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	619.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21674	0.4
57.03445	0.6
59.01379	12.5
61.98844	2.1
68.68969	0.4
69.28396	3.7
71.01393	0.8
71.52293	0.4
73.29726	0.4
81.03437	0.5
83.05082	0.6
85.02973	1.4
87.04514	3.0
97.06577	1.0
98.00108	1.2
99.00886	1.2
99.04539	3.4
101.02418	1.0
103.05545	3.9
107.05051	0.5
113.02473	0.5
118.74396	0.4
119.05010	1.7
121.02978	1.7
123.04543	0.5
125.06078	0.9
133.06602	1.0
147.04523	83.3
148.04892	2.2
161.09688	0.8
173.09782	0.5
187.11266	1.3
253.08669	0.7
328.32651	0.6
361.11987	0.5
371.24509	0.7
427.21185	3.2
445.22263	1.1
471.20172	2.8
471.26978	0.9
504.02844	0.5
533.28143	0.6
557.26868	1.6
574.31885	0.6
575.29785	0.8
587.21204	0.8
601.24512	0.6
619.25403	100.0
620.25720	12.0
620.35565	0.7
644.27411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2546
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.76440	0.3
59.01380	5.1
61.98825	0.5
71.01370	0.3
72.99284	0.3
79.05541	0.3
85.02914	0.5
95.05009	0.4
97.06605	0.3
98.19934	0.6
99.04539	0.9
103.05531	4.9
105.75914	0.3
119.05010	2.5
121.02883	0.3
121.06561	0.5
131.05046	0.7
133.06590	1.5
145.06622	0.3
147.04518	100.0
148.04860	3.0
159.08176	0.4
161.09715	0.6
173.09723	0.8
187.11278	1.2
189.12895	0.5
201.12871	0.6
349.18930	0.3
401.23471	0.6
415.21228	0.5
427.21359	1.5
445.22180	1.1
471.20538	0.8
471.27429	6.8
472.27969	0.7
515.32605	0.3
559.40265	0.5
575.27570	2.4
587.25629	0.5
619.25415	88.6
620.25745	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	619.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37569	1.8
61.98539	2.8
61.98831	40.8
69.36133	1.7
71.53117	2.9
72.39045	1.6
73.18792	1.6
78.95907	10.3
85.35638	1.7
152.99594	8.5
209.11786	3.7
255.23422	8.2
272.51468	2.1
391.22485	2.3
401.14017	2.2
415.15475	2.4
416.16391	13.2
430.17966	3.2
444.15775	2.6
459.18225	99.3
460.18631	10.0
460.63486	1.9
473.19781	12.8
474.20544	7.4
499.17798	1.8
503.17224	2.9
517.18896	2.1
518.19574	43.2
518.26849	3.3
532.21515	10.3
533.21899	85.3
533.30066	4.0
534.22583	10.9
587.23199	7.9
596.19495	2.1
619.25641	100.0
619.35309	6.1
620.25830	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	619.2558
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
59.01369	1.1
59.54342	0.8
61.39383	0.9
61.98836	15.8
70.09895	3.9
78.95899	8.0
91.03754	0.9
152.99600	6.6
163.18300	0.9
196.03755	1.4
209.11815	2.0
219.76038	1.0
255.23230	4.6
299.54895	1.0
363.12103	1.8
401.13940	2.1
415.15646	2.2
416.16440	12.4
429.17517	1.6
430.17822	2.6
431.18771	1.3
433.19977	1.1
444.15787	1.1
458.17255	1.6
459.18246	100.0
460.18497	9.4
473.19812	13.9
474.20724	7.2
475.21030	1.3
485.15942	1.6
487.18445	1.1
501.19147	2.2
503.17056	2.8
517.18945	2.2
518.19604	47.9
519.19922	3.8
532.20917	7.5
533.21906	77.7
534.22278	8.4
587.23224	6.1
619.25598	85.4
619.35291	4.7
620.25763	13.2
620.35486	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2549
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.00188	0.5
57.03444	0.5
58.58388	0.5
59.01379	47.2
61.38311	0.5
61.98834	6.0
63.91064	0.4
70.35077	1.2
70.35404	0.4
71.01379	2.4
72.99319	1.2
73.02954	0.7
75.00840	0.6
81.03441	0.6
83.01376	0.7
83.04985	0.7
85.02960	2.1
87.00909	1.0
89.02431	0.6
97.06551	0.6
98.20567	0.5
99.00861	1.0
99.04517	3.4
101.02438	2.1
101.06072	1.0
103.04014	0.8
103.05534	1.9
109.02965	0.5
110.50429	0.5
111.04544	0.6
113.02438	0.7
115.04086	0.5
119.05035	2.4
121.02958	4.7
121.06622	1.1
125.06120	0.7
129.01926	1.2
133.03076	0.5
133.06590	1.6
135.04539	0.8
145.06619	0.6
147.04518	100.0
148.04857	3.1
161.02461	1.0
161.04550	0.7
161.09695	0.7
173.09718	1.1
179.03589	0.8
187.11238	1.6
207.10315	0.5
333.19943	0.5
371.24252	0.7
427.21182	1.7
429.26297	0.9
439.24905	0.7
445.22482	1.0
471.20941	0.9
471.27429	8.3
499.32861	0.8
517.33215	0.9
533.25873	0.6
559.22607	0.9
559.34131	0.9
575.26636	1.3
575.34448	0.9
577.24615	1.0
587.22980	0.5
601.24182	1.1
619.25372	77.3
620.25696	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	619.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
61.98828	1.2
77.03965	0.3
93.03465	0.4
99.04526	0.4
121.02956	100.0
122.03311	2.2
143.13417	0.1
147.04463	0.2
175.22345	0.1
471.27420	0.2
533.25604	0.1
546.88495	0.1
619.28229	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	619.2034
Annotation	Masutakeside I
Peak:m/z	Relative Intensity
53.11728	1.4
55.01859	1.3
57.03450	8.9
59.01381	100.0
61.98820	6.1
69.31049	8.7
69.31472	3.3
71.01381	34.6
72.99312	3.8
73.02942	14.0
75.00859	3.2
77.19062	1.3
83.01386	5.0
83.05035	2.2
85.02951	43.2
87.00880	3.3
87.04500	2.9
88.98801	1.7
89.02443	20.8
91.90468	1.4
95.01384	2.8
96.96014	26.6
98.20664	3.5
99.00893	4.7
99.04534	4.4
101.02445	25.3
103.04011	50.2
111.35516	1.3
113.02441	12.6
119.03487	7.7
121.02971	2.7
123.04502	2.7
125.02471	1.8
129.05589	2.1
135.04561	1.5
143.03519	2.0
145.02876	2.2
147.04501	3.2
159.04532	2.3
161.04568	2.8
161.06009	1.4
172.08939	1.3
173.02335	2.0
174.03165	7.6
179.05615	1.9
201.11305	2.5
202.02571	1.3
209.11832	4.4
217.05089	2.6
223.07655	2.0
223.95274	1.2
229.05063	1.8
235.07716	1.5
247.07993	2.0
249.05498	2.3
250.06306	1.8
251.07158	4.2
261.05582	2.1
263.07147	3.2
264.07901	2.8
265.05026	3.2
265.09271	50.7
266.09592	2.5
267.06705	7.0
277.05057	3.9
278.05630	2.4
279.06577	10.0
279.10086	3.5
280.07285	2.4
281.08218	1.7
282.08981	3.2
293.04483	4.3
293.08163	3.5
294.05524	2.4
294.09039	4.4
295.06168	3.2
295.09824	1.3
297.11264	1.7
305.04456	2.6
306.05334	1.7
307.06058	1.8
307.10300	3.3
308.06937	3.7
309.07697	5.8
320.06793	3.1
321.07590	6.0
322.08310	2.8
323.05481	6.9
323.09207	20.2
324.09793	3.2
327.25479	2.9
335.09039	3.4
335.22083	2.1
336.09882	1.5
338.07956	12.8
341.10367	5.1
353.05869	2.4
353.10281	51.3
353.23022	2.5
354.10284	2.2
364.09665	2.2
365.06372	2.7
367.12070	2.1
371.24185	3.2
380.08704	3.0
383.11157	2.6
395.11331	13.4
413.11914	2.0
433.22202	2.0
443.13004	1.8
483.14960	7.8
483.22449	1.8
489.30365	2.5
515.28943	2.7
519.25848	6.0
533.29895	2.4
541.24707	2.3
575.30737	80.8
576.31006	5.9
589.19269	34.6
590.19495	3.7
601.19226	92.6
602.19769	8.7
618.34637	4.2
619.20337	37.3
619.33075	25.1
620.20313	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	619.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11728	1.4
55.01859	1.3
57.03450	8.9
59.01381	100.0
61.98820	6.1
69.31049	8.7
69.31472	3.3
71.01381	34.6
72.99312	3.8
73.02942	14.0
75.00859	3.2
77.19062	1.3
83.01386	5.0
83.05035	2.2
85.02951	43.2
87.00880	3.3
87.04500	2.9
88.98801	1.7
89.02443	20.8
91.90468	1.4
95.01384	2.8
96.96014	26.6
98.20664	3.5
99.00893	4.7
99.04534	4.4
101.02445	25.3
103.04011	50.2
111.35516	1.3
113.02441	12.6
119.03487	7.7
121.02971	2.7
123.04502	2.7
125.02471	1.8
129.05589	2.1
135.04561	1.5
143.03519	2.0
145.02876	2.2
147.04501	3.2
159.04532	2.3
161.04568	2.8
161.06009	1.4
172.08939	1.3
173.02335	2.0
174.03165	7.6
179.05615	1.9
201.11305	2.5
202.02571	1.3
209.11832	4.4
217.05089	2.6
223.07655	2.0
223.95274	1.2
229.05063	1.8
235.07716	1.5
247.07993	2.0
249.05498	2.3
250.06306	1.8
251.07158	4.2
261.05582	2.1
263.07147	3.2
264.07901	2.8
265.05026	3.2
265.09271	50.7
266.09592	2.5
267.06705	7.0
277.05057	3.9
278.05630	2.4
279.06577	10.0
279.10086	3.5
280.07285	2.4
281.08218	1.7
282.08981	3.2
293.04483	4.3
293.08163	3.5
294.05524	2.4
294.09039	4.4
295.06168	3.2
295.09824	1.3
297.11264	1.7
305.04456	2.6
306.05334	1.7
307.06058	1.8
307.10300	3.3
308.06937	3.7
309.07697	5.8
320.06793	3.1
321.07590	6.0
322.08310	2.8
323.05481	6.9
323.09207	20.2
324.09793	3.2
327.25479	2.9
335.09039	3.4
335.22083	2.1
336.09882	1.5
338.07956	12.8
341.10367	5.1
353.05869	2.4
353.10281	51.3
353.23022	2.5
354.10284	2.2
364.09665	2.2
365.06372	2.7
367.12070	2.1
371.24185	3.2
380.08704	3.0
383.11157	2.6
395.11331	13.4
413.11914	2.0
433.22202	2.0
443.13004	1.8
483.14960	7.8
483.22449	1.8
489.30365	2.5
515.28943	2.7
519.25848	6.0
533.29895	2.4
541.24707	2.3
575.30737	80.8
576.31006	5.9
589.19269	34.6
590.19495	3.7
601.19226	92.6
602.19769	8.7
618.34637	4.2
619.20337	37.3
619.33075	25.1
620.20313	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	619.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15462	1.5
57.03432	1.9
59.01378	28.0
61.98824	4.6
69.03458	2.8
71.01376	15.7
71.54016	2.2
72.99292	3.6
73.02942	4.8
74.99105	2.0
75.00878	1.5
79.08675	1.4
85.02943	10.9
87.00887	1.9
88.98817	2.5
89.02449	10.0
93.03449	3.1
96.96019	10.0
97.02962	11.3
99.00871	3.9
101.02413	10.8
113.02457	6.8
115.04017	14.2
116.92848	2.7
117.03275	1.9
119.03465	5.0
121.02953	14.2
123.04572	2.2
133.52673	1.3
134.03772	3.7
135.03018	1.5
135.04466	2.3
137.02385	1.8
144.38692	1.5
145.02940	1.9
147.04500	2.7
148.03909	1.5
149.02426	2.7
149.06004	2.4
160.05257	2.2
161.04555	2.0
164.04787	1.7
165.05545	2.7
177.05563	2.7
179.05585	1.8
184.78667	1.4
191.01863	1.8
191.03441	2.5
193.05031	4.2
205.57129	1.5
207.08145	2.2
209.06085	1.6
221.06207	2.3
223.05965	3.4
223.07886	1.9
223.73402	1.5
234.06906	1.3
235.07820	2.2
237.05547	2.4
239.07083	4.4
245.62340	1.4
249.05444	2.5
250.06221	3.1
251.07147	12.8
253.08711	1.7
262.06262	2.8
263.07098	5.7
264.07709	1.6
265.09036	2.2
265.15308	1.5
266.05859	3.6
267.06586	23.7
268.07047	1.9
278.05862	2.3
279.06601	21.0
281.08212	2.8
282.08994	13.7
283.06226	1.8
293.08197	1.9
294.05319	10.6
294.08926	8.0
295.06140	7.7
297.11246	4.6
301.07184	4.5
307.06100	4.9
308.07175	1.5
309.07690	12.1
310.08386	4.1
311.05664	2.6
316.09677	2.2
321.07834	2.5
322.08432	6.6
323.05640	20.2
323.09140	1.7
324.05948	1.8
326.07990	9.6
331.11880	6.7
337.07080	1.9
338.07919	24.1
339.08063	1.8
341.06143	3.2
341.10284	65.8
342.10696	2.5
353.10284	100.0
354.10577	6.1
371.11362	14.4
415.14120	2.1
557.23688	5.7
559.27020	3.4
575.17004	3.1
575.24512	8.5
577.28882	2.4
587.16901	3.2
601.22754	2.1
619.24060	27.8
620.24207	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48111	3.0
59.01379	19.5
60.36919	2.2
61.98824	11.1
69.06314	2.6
69.71180	14.4
71.01376	7.0
72.99304	6.7
73.02930	4.0
78.30006	2.9
82.30276	2.8
85.02957	5.4
87.00867	3.1
89.02432	6.6
96.96042	5.4
99.00899	3.0
99.04502	16.1
101.02436	4.8
113.02410	3.3
119.03461	3.2
121.02937	10.7
140.87038	2.2
145.03047	2.3
147.04478	5.2
148.05315	4.6
149.06006	3.2
159.04454	4.0
176.04776	4.0
180.04266	2.3
191.03419	7.4
191.07150	10.1
193.04979	4.4
220.63828	2.4
223.07556	5.5
237.05484	2.8
238.04764	5.7
239.07158	5.9
249.05640	6.2
250.06265	4.2
251.07126	13.9
262.06485	2.7
263.07111	7.4
264.07889	5.9
265.08694	3.5
266.05774	7.6
267.06580	31.6
276.04492	2.7
278.05600	2.7
279.06598	25.8
281.08289	6.9
282.08890	21.8
293.08389	2.7
294.05264	20.9
294.08920	9.4
295.06024	9.9
297.11514	5.0
307.06244	2.7
308.06860	4.7
309.07681	25.1
310.08090	4.6
311.09714	2.8
321.07651	3.3
322.08420	8.2
323.05701	22.6
323.09076	3.8
326.07736	14.1
338.07959	38.3
339.08182	4.1
340.09717	3.4
341.10291	79.7
342.10583	3.2
353.10272	100.0
354.10599	6.8
370.61560	2.5
371.11310	83.2
372.11630	6.6
434.99896	2.7
445.18765	5.2
475.19525	4.6
533.16528	2.7
545.16547	3.0
575.17792	35.4
575.25684	3.5
575.31366	3.9
619.23724	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.7
57.48392	0.3
67.30585	0.3
69.68421	0.9
69.68829	1.3
85.02949	8.6
87.92010	0.3
92.80952	0.4
95.28536	0.3
98.20623	0.8
99.74188	0.3
100.96098	0.4
101.02439	6.6
102.25896	0.4
103.04008	5.6
104.87715	0.3
111.05924	0.3
129.01945	49.5
130.02280	0.7
133.02959	0.8
135.04568	2.2
147.02997	100.0
148.03363	1.1
161.02478	1.3
177.01953	0.4
179.03508	4.2
249.10936	0.4
287.71500	0.4
309.06146	7.9
435.18732	0.4
465.47226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31515	0.4
59.01387	2.4
61.98830	100.0
71.00726	0.7
87.04523	3.8
90.84892	0.4
194.23763	0.5
260.26257	0.4
308.23969	0.5
450.93954	0.5
498.29599	1.1
516.30365	1.5
558.31610	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98515	0.2
63.99251	0.5
78.95920	0.6
98.19905	0.3
152.99644	0.5
217.61151	0.2
255.23445	0.4
266.49811	0.2
555.38721	0.2
572.37158	0.2
619.35608	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
64.77904	0.3
71.00776	0.4
71.01126	0.7
78.95901	1.2
99.00874	0.3
142.59874	0.3
152.99542	0.5
163.11258	0.3
164.95515	0.3
181.12346	0.6
199.13474	1.2
207.10324	1.1
225.11270	2.1
243.12325	0.4
255.23302	3.2
256.23456	0.6
317.16129	0.5
391.22742	0.4
418.65366	0.3
555.38983	9.6
556.39557	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92766	1.9
54.29309	2.2
56.91388	2.0
59.01381	44.8
59.86318	1.7
61.98832	35.7
71.22736	2.3
78.95905	7.6
84.21987	2.0
111.66985	1.9
152.99495	5.7
179.72707	2.1
201.11334	9.2
209.11800	30.2
214.23792	2.1
255.23291	100.0
256.23557	5.3
381.13327	2.8
421.33234	9.6
540.41803	2.1
617.36005	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	617.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
57.74629	0.2
59.01381	77.9
61.98824	0.8
69.03458	0.7
71.01382	1.2
71.05025	0.4
72.99323	0.3
73.02956	0.2
79.05532	0.8
81.03452	2.7
83.05027	3.4
84.02173	0.5
85.02957	1.4
86.03288	0.2
87.04517	0.5
93.03484	0.4
95.05032	1.1
96.96023	0.4
97.02933	1.4
97.06575	0.4
98.03716	0.5
99.04520	100.0
100.04844	1.6
101.06074	0.4
103.04049	0.2
107.05032	0.4
109.02953	0.3
109.06584	1.5
111.04530	1.5
113.06076	1.1
115.03985	0.3
119.05033	0.3
119.08723	0.2
121.02940	1.7
121.06554	0.4
123.04496	0.6
125.02441	0.4
125.06093	0.6
127.04012	0.5
133.06589	0.8
135.08136	0.5
137.02393	0.2
137.06079	0.6
141.05580	7.5
142.05873	0.2
147.04526	10.1
147.08153	0.3
148.04742	0.2
149.06076	0.3
157.06606	0.3
159.08128	0.3
161.06091	1.0
161.09616	0.3
163.07593	0.3
167.07130	0.4
171.10275	1.8
173.09721	0.3
175.07558	0.2
177.09239	0.3
185.09686	0.3
187.11287	0.4
189.09169	0.7
191.10715	0.3
197.09673	0.3
198.06610	0.2
199.11351	0.4
201.09222	0.2
201.13005	0.2
209.09911	0.3
209.11768	1.3
213.09134	0.2
215.10661	0.3
215.49200	0.2
217.12363	0.2
219.10202	0.4
227.10785	0.3
227.12769	0.5
231.10516	0.2
233.11751	0.3
242.13092	0.5
245.11656	0.3
253.12448	0.2
255.13579	0.2
259.13242	0.2
283.16830	0.3
285.14969	0.4
293.15427	0.4
309.14688	0.2
311.16562	1.2
319.16730	0.2
323.19833	0.5
325.14417	0.5
325.18027	0.2
329.28986	0.2
333.18411	0.3
333.21970	0.3
335.20050	0.2
345.16895	0.5
349.17737	0.3
349.21552	0.9
351.19467	0.4
353.17505	0.4
355.15216	0.4
358.75668	0.2
367.18808	0.5
367.22897	0.3
371.18732	1.0
377.21097	0.8
385.19928	0.5
393.20670	0.4
395.22391	0.3
399.21225	0.3
409.19910	0.7
411.21658	0.4
415.24884	1.1
427.21054	1.8
429.22800	0.3
433.25739	0.3
435.21533	0.7
437.19238	0.5
443.24374	6.6
444.24411	0.5
453.22968	1.0
455.20712	1.4
461.25482	5.7
462.25546	0.4
469.25598	0.6
471.23737	0.8
475.27036	2.0
487.22992	0.8
489.25012	1.0
491.19119	0.3
493.28033	1.5
497.23288	0.2
497.29083	2.8
498.29349	0.2
501.22986	0.3
513.24939	1.7
515.22473	0.8
515.29517	0.3
525.28534	11.0
526.28882	1.1
531.26416	1.0
533.23627	0.7
543.29688	3.3
544.30035	0.3
557.31262	7.8
558.31073	0.7
573.26630	0.4
575.24445	1.7
575.32422	9.0
576.31989	0.7
585.24365	1.5
585.31006	1.1
617.25952	6.4
617.46234	0.9
618.26526	0.8
618.47021	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02861	0.1
59.01378	44.7
60.01707	0.3
61.98818	0.6
66.37203	0.1
71.37285	0.2
80.54585	0.1
87.19939	0.1
91.44616	0.1
93.03455	0.1
101.03997	0.2
103.05537	1.4
106.04226	0.1
109.35641	0.1
119.05028	1.1
121.02965	0.1
127.63376	0.1
141.34067	0.1
145.06596	0.2
147.04517	100.0
148.04863	2.7
148.06064	0.1
181.81973	0.1
246.04987	0.1
361.21710	0.2
557.29047	16.6
558.29364	1.7
575.30084	6.5
576.30292	0.7
617.30798	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	16.7
61.98819	1.7
78.95914	0.7
90.22052	0.4
98.19935	1.2
99.68632	0.5
108.02165	2.1
119.05015	1.9
121.02941	1.3
123.04528	2.8
124.01652	0.9
134.03749	0.5
135.04518	9.7
136.05313	5.5
150.03159	0.7
151.04010	2.9
151.07640	4.0
152.99538	0.7
153.39584	0.5
154.00070	0.4
195.06615	100.0
196.06862	2.3
209.11858	0.7
223.29065	0.5
277.21744	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
57.03464	1.1
59.01380	100.0
60.01718	0.5
61.98835	1.4
69.03487	0.6
71.01376	3.2
73.02948	1.9
75.00880	0.6
81.03474	0.5
83.01420	0.7
83.05041	1.7
85.02950	7.6
86.03303	0.9
87.04520	6.5
89.02459	1.2
96.96041	1.5
97.02924	0.8
97.06614	0.6
99.00903	2.1
99.04519	20.0
100.04865	0.7
101.02467	1.8
101.06074	1.0
103.04036	1.9
109.02958	0.5
109.06631	0.6
111.04543	2.1
113.02480	1.0
121.02950	0.9
121.06535	0.6
125.06131	0.8
127.03983	0.6
133.06607	1.0
134.03728	3.4
135.04562	0.8
137.06075	0.7
141.05635	1.9
145.06783	0.5
145.10143	0.5
161.06064	0.5
161.09764	0.6
171.10249	4.0
181.46014	0.5
193.05061	2.9
197.11728	0.5
197.31059	0.5
201.09357	0.6
209.11884	2.6
227.12872	0.8
241.12642	0.5
253.09389	0.8
265.09320	1.0
307.10507	0.5
325.14941	0.7
357.20776	0.9
375.21741	0.5
427.25278	0.8
429.23376	1.4
431.20657	1.2
439.21255	1.0
444.75153	0.5
447.24304	0.9
457.22177	1.2
461.36938	0.5
469.26093	5.7
473.22153	0.8
475.23645	2.1
489.25427	0.9
493.24722	0.6
495.27625	0.6
501.24896	0.7
503.23230	1.1
513.25360	0.8
515.23389	2.1
531.26892	1.7
539.26971	1.5
557.27521	20.3
558.28485	1.1
573.28973	1.0
575.27222	3.5
585.27301	5.5
599.28156	2.9
617.26288	4.6
617.34772	6.6
618.34821	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	617.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43505	0.7
57.03436	1.9
58.00571	0.7
59.01378	100.0
60.01730	0.9
61.45280	0.7
61.69056	0.8
61.98820	3.5
69.03451	1.3
71.01389	5.6
71.05032	1.3
72.99321	1.9
73.02959	2.0
80.47382	0.7
81.03452	2.7
83.01367	0.9
83.05028	2.6
85.02943	12.3
86.03248	0.9
87.00871	0.8
87.04519	1.0
87.84719	0.8
89.02451	1.0
95.05004	1.2
96.96031	2.2
97.02906	1.0
97.06586	1.6
98.20700	1.2
99.00887	4.0
99.04519	56.7
100.04848	2.2
101.02444	2.8
103.04015	2.3
107.05023	0.7
109.06604	2.2
111.04498	1.7
113.02395	1.6
119.08671	0.8
121.02934	1.0
123.04536	1.1
134.03725	6.4
136.64532	0.9
137.06088	1.4
139.03992	1.5
141.05554	4.3
147.08194	1.0
154.20580	0.8
159.08170	0.9
161.09724	1.3
167.07173	1.0
171.10257	10.0
187.11263	0.9
193.05008	6.5
197.11743	1.7
201.09286	1.1
201.11295	1.9
209.11751	7.4
219.10307	1.0
227.12801	1.5
229.12460	1.0
253.09189	2.2
255.13585	0.9
265.09402	1.0
273.94006	0.8
325.14569	1.2
325.23880	1.2
343.15231	1.3
365.16937	1.0
369.22928	3.1
411.21841	0.9
427.24973	0.8
439.21323	2.5
469.25949	9.3
470.25980	1.3
481.22241	1.2
485.18036	1.8
489.25223	1.0
495.27426	1.8
503.23212	0.9
511.26895	1.3
513.28973	4.5
515.22980	3.1
531.28064	3.8
533.24280	2.2
535.24957	1.0
539.26086	2.3
543.25830	2.0
557.27527	58.8
558.28107	5.3
573.28455	2.6
575.25739	9.5
585.26654	1.1
599.28503	12.2
600.28552	2.0
617.16064	1.7
617.25293	5.4
617.32520	11.9
618.34448	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	617.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
57.03452	1.4
59.01380	100.0
59.14981	0.5
69.02515	0.5
69.03458	1.7
69.17679	1.2
69.18092	5.1
71.01392	1.1
71.05027	1.6
81.03458	6.0
83.05019	5.1
84.02184	1.4
85.02956	7.9
87.04515	0.7
95.05043	2.6
96.95975	0.8
97.02975	2.4
97.06617	0.9
99.04520	19.7
106.46607	0.7
107.05119	0.7
109.06589	3.8
111.00866	0.7
111.04528	4.1
113.06129	2.4
121.06641	0.8
123.04554	1.1
125.02481	0.9
125.06106	1.4
127.04051	1.6
133.06638	1.3
135.04573	0.7
135.08200	0.9
137.06122	2.6
141.05580	24.8
147.08258	0.7
161.09773	1.0
167.07191	1.4
171.10265	1.6
191.10825	1.3
193.05074	0.9
209.11859	1.3
242.13199	0.8
251.01376	0.7
255.14041	0.9
281.15631	0.6
285.14938	1.1
298.79349	0.6
311.16455	2.7
325.14603	1.0
329.17639	0.6
331.80222	0.6
337.18375	0.9
345.17105	1.1
353.17593	1.3
367.19287	1.0
371.18719	1.8
373.16763	1.4
385.20227	2.8
409.20111	1.4
411.22174	1.2
427.21326	3.8
429.22714	0.9
435.22064	1.0
437.19562	0.6
445.22766	0.9
450.77728	0.7
453.22858	1.6
455.20743	0.9
459.23874	1.2
471.23923	3.3
473.22159	0.7
487.23663	2.3
489.24957	2.4
497.21774	1.4
513.24579	3.3
515.22876	6.5
529.24091	0.6
531.26184	1.7
533.23840	4.6
555.26019	1.5
557.24713	2.9
573.27307	1.4
575.24921	18.4
576.25616	1.2
599.26233	1.7
617.25378	11.5
618.27399	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	617.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35006	0.5
57.03022	1.1
57.03454	3.6
58.00623	0.8
59.01382	41.9
60.01720	1.5
61.98835	4.9
71.01383	10.4
71.54429	0.8
72.99329	1.2
73.02959	4.1
75.00906	1.4
83.01404	1.1
83.05021	1.5
85.02953	100.0
86.03277	0.8
87.00858	0.9
87.04539	1.5
89.02475	3.8
95.05038	1.7
96.96014	2.2
97.02959	1.2
97.06560	1.2
99.04516	2.7
101.02461	5.0
103.04010	12.1
107.05028	1.1
111.04502	1.1
112.78781	0.8
112.98607	0.8
113.02480	3.3
115.03997	0.7
116.92838	0.9
118.86878	0.6
119.03448	1.6
121.02934	0.7
121.06548	1.4
121.11863	0.6
125.02469	1.0
125.05992	1.0
132.04497	0.7
133.06560	1.1
134.06070	0.7
135.04530	0.8
139.03951	2.4
147.08167	1.5
151.03915	0.7
151.07599	0.7
158.07214	0.7
159.08080	0.8
161.04478	1.0
161.06047	0.9
161.09607	1.2
163.11159	1.0
171.10280	4.8
173.05954	1.6
173.09590	1.5
175.11159	0.9
187.11157	1.2
200.08316	1.1
201.08899	0.9
201.11223	0.9
209.11807	4.5
211.07539	1.4
212.08308	0.6
213.09087	0.8
227.12646	2.0
251.14023	0.8
255.13707	1.0
257.12769	1.2
265.09204	8.1
279.10236	0.7
295.15067	2.7
307.09955	2.8
337.16254	1.6
351.03406	0.7
369.21988	2.0
399.21289	0.8
409.19662	1.1
441.21472	0.8
459.23682	3.8
469.24857	4.7
481.02167	0.7
495.23843	14.6
496.23343	0.8
501.23990	1.5
513.24878	21.7
514.24152	1.2
531.26007	5.4
537.23566	3.8
539.21582	1.9
555.25952	51.0
555.33856	2.7
556.25916	3.0
557.22418	5.8
573.27307	25.4
574.26471	1.0
575.23566	1.9
581.22333	5.8
589.25873	0.9
599.23297	20.6
599.33807	1.1
600.23553	2.1
617.24304	46.1
618.24487	4.0
634.32190	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04289	0.8
57.03000	1.2
57.03431	3.3
59.01379	43.8
60.01716	1.7
61.98838	5.5
63.73372	0.9
64.08872	0.8
65.75950	0.8
71.01377	10.5
72.99297	1.7
73.02946	4.7
75.00839	1.0
83.01388	1.8
83.05005	2.0
83.80077	0.9
85.02949	100.0
86.03285	1.4
87.00892	1.2
87.04507	2.4
89.02457	4.3
93.03424	1.0
95.05012	1.8
96.96006	2.3
97.02936	1.6
97.06567	2.4
99.00852	1.0
99.04506	3.2
101.02428	6.4
103.04010	15.1
105.07131	0.9
107.05026	1.3
108.08120	1.2
109.02974	0.8
111.04495	1.3
113.02450	3.8
119.03482	2.2
121.06661	1.2
125.02444	1.7
125.06078	1.1
132.04474	1.3
133.06567	1.6
134.06099	1.4
135.04401	1.1
139.04004	2.6
147.08173	1.2
148.40886	0.8
149.06049	1.0
158.03662	1.0
171.10278	7.3
173.05919	0.9
173.09612	1.2
175.07544	0.9
177.09232	0.9
187.11298	2.2
199.07726	1.4
200.08443	2.0
201.11139	0.9
209.11865	5.8
211.07460	0.9
212.08403	0.9
213.09259	1.5
227.12737	1.6
251.14400	1.4
255.13719	1.5
257.12967	2.0
265.09256	10.8
295.15424	1.9
307.10242	2.8
331.13605	1.2
351.21768	1.2
365.17206	1.1
369.22754	2.4
393.21848	1.0
409.19922	1.0
412.13873	1.1
459.23798	3.5
469.26138	5.5
485.25458	1.0
495.23898	16.5
496.24301	0.9
513.24872	23.9
513.32483	1.4
514.24988	2.5
531.25781	3.8
537.24756	4.4
539.22699	2.3
555.25946	54.4
556.26007	4.0
557.23871	7.2
573.27197	26.9
574.27661	2.0
575.24854	1.8
581.23798	7.2
585.23969	1.1
589.26385	1.2
599.24933	29.5
600.25195	2.0
609.69623	1.1
617.23810	38.4
617.32654	21.0
618.26422	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	617.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	30.3
66.38019	1.2
67.46638	1.2
69.96997	1.3
71.01377	18.4
71.52422	1.8
85.02959	5.0
87.00872	1.7
89.02444	22.8
99.04530	1.6
101.02441	13.9
103.04018	3.3
108.02135	2.4
113.02454	6.2
115.00401	2.1
119.03497	12.5
133.01424	8.1
133.05089	1.3
135.04572	3.3
142.69547	1.2
152.01128	3.7
179.03448	3.2
179.05531	1.5
189.04285	1.5
204.60202	1.3
210.82076	1.4
265.09351	3.9
295.10336	100.0
296.10495	2.4
315.07248	5.8
351.12811	1.7
565.39764	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98854	55.0
69.39598	48.5
76.24431	46.9
98.20757	100.0
147.04590	79.6
154.29056	51.7
208.65428	50.8
248.49684	54.6
428.82028	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96253	0.4
55.01878	0.7
57.03456	0.9
57.59029	0.3
59.01379	100.0
60.01713	0.7
61.98826	0.5
67.01907	0.5
67.41330	0.3
69.03455	2.9
71.01382	2.6
71.05022	1.0
72.99303	1.5
73.02948	0.8
75.00875	1.0
79.05520	1.9
81.03458	5.9
82.92156	0.4
83.01412	0.4
83.05028	6.8
84.02180	0.9
85.02949	3.0
87.04515	31.2
93.03490	1.1
95.05029	2.9
97.02945	6.1
97.06595	1.1
98.03708	0.6
98.20271	1.9
99.00876	0.7
99.04519	59.7
100.04856	0.8
101.02441	0.5
101.06080	0.5
103.05538	0.8
105.07107	0.4
107.05022	1.5
108.18382	0.3
109.02955	1.3
109.06607	3.3
111.00906	0.4
111.04520	6.4
112.30293	0.3
113.06064	2.7
119.05042	1.4
119.08659	0.4
121.02960	1.8
121.06607	1.4
123.04517	1.9
123.08088	0.5
125.02435	0.4
125.06100	2.0
127.04024	1.5
131.05003	0.5
131.08667	0.4
133.06583	2.5
135.04523	1.2
135.08153	1.6
137.06097	2.1
141.05583	20.1
142.05946	0.8
145.06564	0.8
147.04520	30.3
147.08160	1.0
148.04883	0.5
149.06061	1.8
151.07625	0.9
153.05554	1.0
157.06558	0.7
159.08163	1.0
160.05249	0.4
161.06035	2.6
161.09750	0.9
163.07611	1.2
164.08467	0.4
165.05550	0.4
167.07143	1.9
169.04997	0.4
171.04507	0.5
171.08162	0.7
171.10229	0.6
173.06064	0.5
173.09709	0.8
175.07660	0.8
177.05580	1.3
179.07123	1.6
185.05887	0.4
185.09674	0.7
187.07635	0.4
189.09251	2.0
191.10738	0.9
195.06630	0.7
197.09709	1.1
199.07713	0.9
199.11290	1.4
201.09140	0.8
209.11659	0.4
213.09128	1.0
215.10780	0.9
217.12282	0.8
223.07715	0.5
227.10793	1.0
229.08675	0.4
230.51682	0.4
231.10260	0.5
233.11676	0.7
239.10838	0.5
241.08630	1.2
241.12410	0.4
242.13190	0.7
243.10188	1.4
245.11781	2.0
253.08739	0.6
255.10338	1.9
255.13843	0.5
257.15662	0.4
259.09677	0.9
259.13345	1.0
261.11316	0.5
265.12277	0.4
267.13657	0.7
269.11902	0.4
271.09723	0.9
273.11346	0.8
274.12076	0.4
281.11932	0.4
285.14838	0.4
289.10880	0.7
293.15329	0.5
297.11362	0.5
297.14798	0.7
309.14960	0.4
311.16458	2.5
325.14218	0.5
329.17444	0.6
333.11356	0.4
335.16434	0.5
341.13867	1.5
345.16934	1.7
347.16788	0.5
349.21674	0.5
351.15836	0.4
353.17569	1.1
355.15201	0.5
365.13666	0.7
367.18997	0.5
369.13358	0.7
371.18820	2.1
377.17068	0.5
385.20096	0.9
393.20697	1.1
395.18307	0.4
397.20068	0.4
405.17081	2.0
409.19931	1.8
419.24353	0.5
423.17966	0.6
427.16177	0.5
427.21713	4.0
428.21548	0.7
433.16458	1.9
435.21915	1.7
437.19620	1.4
443.24509	2.5
445.22235	1.3
451.17511	8.5
452.18219	0.6
453.22827	2.2
455.20551	4.7
457.18597	0.5
461.25513	3.0
469.18372	3.6
469.24570	0.4
471.24176	2.2
473.21658	0.7
475.26935	0.8
487.18875	6.3
489.25156	2.7
493.18262	0.7
493.27966	0.5
497.22168	0.6
497.28970	1.3
501.22885	0.6
509.25003	0.8
511.19287	0.8
513.24744	3.2
515.23102	0.7
525.28540	4.6
529.20544	1.8
531.25903	2.3
531.33130	0.5
533.24353	1.3
543.29504	1.5
557.24213	0.9
557.31738	3.5
567.23761	0.7
573.26770	0.6
575.24707	4.0
575.32288	3.2
576.24750	0.4
585.24780	7.0
586.25024	0.6
599.26605	0.6
617.26563	32.9
618.26550	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	617.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15813	1.1
57.03440	3.9
59.01378	8.4
61.98827	1.6
63.21422	1.2
71.01394	2.7
71.53683	1.2
71.54104	1.9
73.02926	1.6
85.02945	19.6
88.98816	1.0
89.02470	2.1
95.09918	1.3
96.95995	4.5
98.89886	1.0
101.02431	16.5
103.03997	6.5
111.00835	1.2
117.03511	1.3
117.71230	1.1
119.03499	1.6
119.05001	6.0
121.02943	1.4
122.03735	1.4
129.01944	98.5
134.03743	12.2
147.02989	100.0
148.03395	1.9
149.02437	3.5
149.06041	2.2
150.03217	12.6
161.04578	1.6
163.03983	6.6
165.05565	9.0
180.04289	1.2
193.05054	16.0
195.06651	4.5
244.54877	1.1
275.03873	1.2
293.06705	4.6
294.61328	1.4
323.07660	1.7
328.09436	2.1
331.84137	1.2
343.11633	1.7
355.12115	1.4
391.14249	3.0
403.13977	4.2
411.32053	1.0
491.17209	4.8
492.17462	1.3
539.18994	1.4
569.20032	2.0
617.23798	2.6
625.39679	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0047
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88308	1.0
57.47397	1.0
58.30730	1.1
59.01378	100.0
61.98814	2.6
62.29042	1.2
71.23102	1.4
75.65952	1.0
77.72081	0.9
87.23492	1.1
90.97122	2.1
104.16897	1.0
108.80772	0.9
115.02541	8.0
117.00457	5.3
132.98219	5.6
150.94804	1.2
152.96396	0.9
157.03687	1.4
159.01489	64.3
160.01587	3.0
174.99234	36.4
175.73666	1.1
192.95848	2.9
201.02538	13.5
215.63655	1.0
217.00282	89.3
223.16418	1.0
232.98251	1.2
241.50526	1.1
259.01532	2.1
274.99258	5.3
285.47998	1.2
290.97098	4.8
298.99307	2.2
301.02658	27.5
317.00381	68.0
318.00647	3.6
332.98172	22.8
359.01410	6.8
374.99200	37.4
375.99512	1.9
390.97217	1.7
459.01617	6.2
459.74506	1.1
474.99319	35.7
475.99249	3.2
514.97137	1.6
555.00189	2.7
556.98364	50.5
557.98413	3.4
644.65723	1.2
647.19855	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89108	0.2
61.98829	100.0
69.03453	0.2
69.80534	1.0
78.95930	0.2
98.19907	0.4
151.11325	0.2
161.09822	0.3
169.08701	0.2
179.10786	1.0
197.11754	1.7
218.04974	0.2
240.07697	0.2
241.10889	0.2
255.23225	2.1
266.48819	0.2
297.13220	0.3
315.14508	0.4
320.98505	0.2
331.80389	0.2
440.29391	0.2
553.37451	7.3
554.38080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.9
61.98830	100.0
69.19068	3.9
69.19486	6.3
74.80984	1.1
78.95861	1.5
80.96560	0.9
81.77930	0.9
106.88643	1.0
109.04443	1.3
113.24587	1.1
166.18172	1.2
401.11810	1.2
560.53448	1.3
563.89984	1.2
640.61810	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56735	0.5
55.90360	0.7
57.03442	4.6
59.01379	19.0
61.98833	3.6
71.01387	6.1
71.05022	2.3
73.02948	1.0
83.01392	0.8
83.05024	3.8
85.02950	16.4
86.02478	2.1
88.09832	0.7
89.02451	1.9
97.06599	1.3
97.72492	0.6
99.04520	21.8
101.02447	2.7
101.06074	2.1
103.04010	27.9
109.06602	1.3
111.08160	20.9
112.08485	0.6
113.02450	1.2
114.09273	0.8
115.07629	3.6
119.03495	0.7
121.02988	1.1
127.11265	7.3
147.04543	1.1
151.07674	0.7
151.11336	0.7
153.09204	2.0
153.12865	1.7
158.68622	0.6
169.12344	16.1
171.10283	2.0
173.08174	7.4
182.15515	2.3
187.09740	8.8
194.15382	0.7
196.13353	1.0
197.08171	8.6
209.11862	1.4
209.15594	1.0
212.16478	1.8
216.12392	8.3
230.14014	2.5
240.12433	2.9
247.08232	1.4
265.09283	5.0
270.17078	0.8
350.23288	1.1
368.24509	2.5
403.16370	1.9
410.25601	1.8
443.24826	1.1
461.25375	1.5
469.26611	0.7
518.26379	2.0
525.28870	2.3
534.88251	0.6
556.26312	0.8
557.31567	1.5
574.27271	2.2
575.32458	1.8
616.33575	100.0
617.25061	1.2
617.34863	8.2
640.20508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51232	0.8
59.01379	27.2
60.01719	0.9
61.98823	2.4
69.03411	1.0
69.79289	0.7
71.01374	3.1
71.50670	0.8
73.02995	0.9
79.05520	1.2
81.03447	1.4
83.05032	6.0
85.02946	14.9
87.00882	0.9
93.03466	8.1
95.05035	1.4
97.02962	1.1
99.04520	100.0
100.04831	4.1
101.06136	0.8
105.07063	0.9
107.04999	1.3
109.02985	1.4
109.06590	2.2
111.04530	12.7
115.55563	0.7
119.05029	0.9
121.02946	2.2
125.06080	2.6
133.06599	5.5
135.04526	2.7
135.08154	1.3
135.11766	1.2
137.06070	2.1
147.08148	1.0
147.40582	0.8
153.05566	16.7
157.06482	0.9
159.08159	2.2
161.09732	1.5
163.04047	1.8
163.11261	2.2
171.08170	1.1
171.10243	2.9
172.08852	1.1
173.09674	6.8
175.07605	0.9
183.08147	1.9
184.00558	0.8
197.09781	1.3
199.07628	1.0
201.09181	1.3
207.10454	0.9
211.11325	1.0
241.12181	1.0
245.28656	1.0
279.13895	2.5
293.15378	1.1
297.15057	2.5
321.17453	1.5
337.18158	1.1
345.18631	3.4
349.18253	1.3
363.19778	4.9
367.19098	1.5
385.20074	1.6
393.20630	2.2
411.21793	6.4
429.22812	16.0
447.23801	3.3
453.22739	2.4
467.24268	1.7
475.24838	3.4
483.27319	2.6
493.25974	9.1
497.24921	3.5
499.23187	0.8
511.26926	31.8
512.27094	3.1
513.24939	3.3
515.22742	3.7
528.26544	1.2
529.27844	16.4
530.27881	0.9
535.27124	1.9
537.24585	1.4
539.26428	0.9
541.24249	7.7
553.27808	5.9
555.26013	4.1
571.28265	10.0
573.26526	6.5
583.25421	6.6
597.26965	1.9
615.27869	67.2
616.28156	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	615.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40902	0.2
58.36172	0.2
59.01379	100.0
60.01718	0.6
61.98830	0.6
70.21478	0.1
70.40845	0.2
71.01375	2.4
71.54005	0.2
73.02954	1.0
73.96671	0.2
83.01398	0.5
85.02947	1.1
89.02464	0.5
95.01405	0.3
96.96018	0.4
99.00903	0.2
99.04497	0.3
101.02449	1.5
103.03989	0.3
113.02463	1.0
125.02477	0.4
134.03845	0.2
143.03542	0.2
149.45221	0.2
150.03189	0.3
151.76060	0.2
159.02960	0.2
161.04543	1.1
164.54767	0.2
165.05580	0.3
168.00655	0.4
169.01379	0.3
171.29816	0.1
193.05148	0.3
207.65298	0.2
223.06209	0.4
265.09348	0.3
289.11395	0.2
336.46445	0.2
351.25479	0.3
367.21451	0.2
453.19031	0.2
495.29709	1.1
513.30646	3.3
514.31702	0.3
555.31696	2.9
555.39630	0.2
556.32178	0.3
571.28180	0.4
615.22272	1.0
615.32404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.3
59.01377	24.6
61.98817	1.6
62.18947	1.0
70.64042	1.9
71.01398	2.2
83.05017	3.2
85.02933	6.7
87.04520	4.5
93.03497	1.7
97.02935	1.0
98.20180	1.3
99.04520	100.0
100.04849	2.3
101.06084	1.5
105.07084	1.0
107.05013	1.5
109.06565	2.0
111.04526	6.4
112.86931	1.0
112.97005	0.9
115.00346	0.9
121.06564	2.1
133.06630	4.5
135.04529	0.8
135.08139	1.8
135.11836	1.1
137.06070	1.3
145.10210	1.1
147.08173	2.2
149.06087	1.2
153.05606	5.6
159.08156	2.0
161.09708	2.0
163.11275	3.3
171.08163	1.4
171.10309	1.9
173.09720	8.7
187.11134	1.2
189.09195	1.5
211.05167	1.0
214.09749	0.9
235.11392	1.0
253.12346	3.1
254.13089	1.0
279.13885	1.1
291.17786	1.0
297.14987	1.6
321.17996	1.6
337.17932	2.1
339.80658	0.9
345.18683	3.8
353.21512	0.9
358.92078	0.8
363.19559	4.2
367.18964	1.1
385.20224	1.5
393.20831	2.3
411.21725	7.4
427.21301	1.1
429.22757	19.0
430.23492	1.5
447.23846	2.9
453.22638	2.8
471.24146	1.5
473.22067	1.4
475.24899	4.1
483.27606	3.2
493.25912	10.2
497.25702	2.0
511.26950	37.0
512.27325	3.2
513.25226	1.2
515.22577	4.9
529.27991	15.2
530.28406	1.3
535.27014	2.5
541.24640	3.1
553.27881	4.1
555.25885	3.0
565.84650	0.9
570.28101	1.1
571.28296	6.5
573.26465	3.8
583.25507	6.0
597.26508	1.3
615.28015	67.0
616.27954	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	615.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.8
59.01381	13.3
61.98826	3.1
68.99569	1.6
71.01379	2.2
79.05531	1.5
81.19200	0.7
83.05003	4.6
84.69965	0.7
85.02953	1.1
87.04494	1.0
93.03484	0.8
95.05013	1.5
97.06576	1.2
98.20677	2.6
99.04517	100.0
100.04864	1.9
101.02427	1.3
101.06059	0.8
103.34697	0.7
107.05029	2.6
109.06590	1.8
111.04549	1.5
112.98560	1.8
121.02950	4.3
121.06615	1.7
125.06060	1.5
133.06567	2.4
135.04480	0.8
136.05283	2.4
137.06111	3.8
138.68436	0.8
147.04474	1.1
147.08130	2.7
159.08104	1.3
161.09740	1.3
163.07613	1.1
171.08168	0.9
171.10301	1.3
173.09695	3.2
175.07672	0.9
185.89752	0.7
187.11267	1.1
189.09157	0.9
197.06039	0.8
197.09662	0.8
199.07452	0.7
199.11281	1.9
201.12833	0.9
211.11258	0.8
215.10597	1.5
227.10814	1.0
253.12280	1.3
254.13147	0.8
266.13773	0.7
269.18973	0.8
271.13293	1.1
279.13876	1.4
297.14993	2.2
318.28229	0.8
319.17078	1.0
321.18570	1.1
326.32928	0.8
337.18045	1.0
341.63882	0.8
345.18533	1.5
349.18137	0.8
357.20718	1.1
363.19733	1.6
384.20462	0.7
385.24011	1.1
393.20709	0.9
401.23334	0.8
411.21701	12.8
419.24762	1.1
429.22873	12.0
430.23166	1.6
447.23920	9.8
453.22830	2.3
455.20724	1.2
473.22137	1.6
475.24799	1.1
483.27771	0.9
485.28983	2.2
489.25107	0.8
491.22311	0.8
493.26065	6.6
497.21664	2.6
511.26956	14.3
515.23114	3.6
527.26343	1.0
529.28003	47.3
530.28406	4.7
531.23456	3.5
533.23871	5.3
537.25146	0.9
553.27911	1.4
555.25946	4.7
571.28973	0.8
573.27063	29.1
574.27484	3.1
579.25610	2.1
597.26923	8.0
615.28058	25.8
616.28442	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	615.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01382	10.5
61.98820	2.3
69.03476	0.7
70.53831	2.0
71.01380	1.8
79.05528	1.7
83.01385	0.7
83.05037	3.1
95.05007	0.7
97.06602	1.5
99.04518	100.0
100.04851	0.8
105.07080	0.8
107.05029	1.8
109.06594	2.4
111.04520	0.9
119.05003	0.8
120.05862	0.8
121.06564	1.6
123.04483	0.7
125.06094	1.6
129.07181	0.8
133.06587	2.2
135.04523	1.0
135.08189	0.9
136.05290	1.6
137.06099	3.5
139.07552	0.6
147.04495	1.2
147.08170	2.3
148.05310	1.2
159.08070	1.2
161.09769	1.3
171.08122	0.6
173.09726	2.5
175.07625	0.8
184.05338	0.8
185.09715	0.8
187.11250	1.2
197.09584	0.9
199.11264	1.3
214.09944	0.8
215.10756	0.9
225.12764	0.7
227.10770	1.6
241.12383	0.7
253.12289	1.1
269.15524	0.9
271.13327	1.0
277.12292	0.6
279.13858	1.4
287.54874	0.6
297.14963	1.9
309.18683	0.8
315.16049	0.9
319.16983	1.1
321.18631	0.6
335.20096	1.4
345.18457	1.8
349.18307	0.6
355.19046	0.8
357.20523	0.7
363.19635	1.1
367.19089	1.3
393.20743	1.0
401.23398	1.3
410.11133	0.7
411.21793	12.7
412.21896	1.1
429.22711	10.4
430.22958	0.8
447.23840	8.9
448.24500	1.0
453.22931	2.5
455.20712	1.2
458.91681	0.7
465.95001	0.7
467.28247	1.4
473.21957	1.6
475.24942	1.0
483.27353	2.1
485.29041	1.9
493.25946	6.7
497.21521	3.0
501.28842	0.9
511.26981	11.9
512.27441	1.2
515.15820	1.0
515.22522	5.0
529.28052	39.5
530.27924	3.6
533.24048	4.7
535.26642	1.2
537.24164	0.9
553.27893	1.8
555.25928	6.6
571.28119	2.0
573.26978	28.4
574.27307	2.3
579.26025	1.2
597.26984	8.3
598.27820	0.9
615.27985	33.1
616.28259	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	615.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.3
65.33567	0.9
71.01378	2.1
79.05538	1.2
83.05019	2.8
98.20695	1.4
99.04523	100.0
100.04843	1.4
107.05079	1.2
111.04522	1.2
121.06644	1.2
125.06064	1.0
133.06635	2.0
135.04533	0.9
136.05295	2.0
137.06085	3.6
147.08138	2.2
158.07280	1.0
171.11760	0.8
173.09674	3.2
176.86475	1.0
187.11272	1.1
199.11407	0.9
213.09181	0.9
227.10751	1.6
253.12169	1.2
271.13354	1.3
279.13986	1.1
297.14859	2.3
307.17087	0.8
309.18848	1.1
335.20264	2.0
349.18106	1.0
357.20996	1.3
363.19589	2.0
411.21747	11.9
429.22733	10.5
447.23761	8.3
453.22849	2.9
473.22064	1.3
475.24933	1.0
483.27466	1.6
485.28809	1.6
493.25946	5.8
497.21628	2.3
511.27026	13.5
512.27264	1.2
513.26160	0.9
515.22620	2.8
529.28076	37.7
530.28271	3.7
531.26074	3.7
533.23901	5.7
537.24438	1.1
553.28040	1.5
555.25977	4.3
571.28290	1.5
573.27057	41.1
574.27289	2.3
579.26294	2.0
597.27057	10.4
615.28070	40.7
616.28589	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	615.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25652	0.6
57.03444	0.9
59.01379	17.1
69.20687	7.4
71.01380	2.1
79.05551	1.0
80.08716	0.7
81.03475	0.8
83.05018	2.3
85.02947	3.1
93.03429	1.1
97.06618	0.9
97.29959	0.7
98.19858	1.3
98.20532	2.7
99.04518	100.0
100.04848	1.9
101.06062	2.1
103.03982	0.8
107.05038	1.8
110.03692	1.0
111.04491	2.0
111.08119	1.0
115.00345	1.1
115.07603	1.1
121.02956	1.7
121.06624	1.6
133.06592	5.9
135.04521	0.9
136.70667	0.7
143.04990	1.1
147.08139	1.5
148.08844	0.9
159.08098	1.6
161.09663	1.1
162.42322	0.7
163.07635	0.7
163.11279	2.7
165.09186	1.0
171.08067	1.0
173.09669	8.9
175.07585	0.8
183.08147	2.0
187.11143	0.8
189.09171	1.0
195.08122	0.7
197.09755	1.4
201.12764	1.1
208.16963	0.8
217.12399	0.8
247.13353	0.8
253.12424	3.5
279.13818	3.2
280.14236	0.9
297.14883	1.6
319.16663	0.8
321.17935	2.2
335.19894	0.9
337.17792	1.7
345.18668	5.0
347.14865	0.8
349.17963	1.3
350.81668	0.9
363.19702	8.3
367.19031	1.3
391.03720	0.8
393.20685	2.5
411.21872	9.2
429.22867	12.3
447.23865	2.0
453.22678	3.0
471.23859	1.1
475.25079	6.7
483.27353	2.5
493.25955	15.6
494.26028	1.4
509.25125	0.8
511.26971	34.4
512.27393	4.2
515.22760	5.5
517.90045	0.8
527.40979	0.8
529.28180	17.0
530.28198	1.6
535.27020	3.1
537.24866	1.4
553.28162	8.8
554.27863	1.1
555.25769	2.0
571.28729	4.8
573.26587	4.0
579.25818	1.2
597.26910	3.4
615.28052	76.9
616.28394	5.7
616.34827	1.7
640.51691	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01307	13.4
59.01637	1.2
59.88775	0.3
61.98756	1.8
63.50508	0.3
67.01860	0.4
67.02228	0.3
69.31566	3.0
71.01304	1.0
73.02908	0.4
81.03388	0.7
83.04945	1.3
85.02901	0.4
95.04928	0.4
97.06518	0.5
99.04517	31.2
99.05103	1.2
99.05409	1.1
101.06010	0.8
109.89716	0.4
111.04453	0.5
112.13938	0.3
121.06539	0.5
125.06000	0.6
127.03938	0.5
129.07072	0.4
134.08582	0.4
145.06610	3.9
147.08086	0.9
149.09721	0.4
171.08035	1.6
179.10684	0.6
181.08607	0.6
183.07980	0.6
185.09587	0.6
187.11269	0.4
197.09587	0.6
199.11299	1.8
201.08997	0.4
201.12787	0.9
202.25211	0.4
209.09833	0.4
209.11679	0.5
212.08372	1.0
213.86398	0.3
225.09109	0.7
226.09848	0.5
227.10773	5.1
237.12869	0.5
239.10716	0.4
241.14465	0.5
255.13766	0.4
259.13263	0.9
281.15295	1.1
295.15390	1.2
299.16373	1.3
321.18454	0.7
347.19958	1.4
363.19763	0.4
365.21048	0.9
395.22360	0.8
399.93372	0.4
413.23306	13.8
414.23532	0.7
439.21124	0.7
445.25461	0.5
495.27679	3.5
521.25299	1.9
527.30194	0.7
539.26459	9.9
540.26672	1.0
571.29071	48.7
572.29315	4.7
581.27722	1.9
613.30145	100.0
614.30493	9.9
614.40344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23616	0.3
55.09877	0.2
59.01380	100.0
61.98840	0.4
63.13663	0.3
66.01004	0.3
68.22137	0.2
71.05046	0.3
97.06606	0.3
99.04531	1.2
115.05151	0.3
121.51160	0.3
204.72038	0.3
214.03004	0.3
229.50600	0.4
295.17084	0.7
337.21719	0.6
349.59601	0.3
429.26508	1.8
431.73926	0.3
553.31671	15.6
554.31995	1.8
601.59863	0.3
621.59955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41702	0.7
57.83598	0.7
61.98831	100.0
69.86365	3.9
73.61670	0.7
75.61806	0.7
76.63241	0.7
78.29125	0.7
78.95892	1.1
89.40363	0.7
105.65957	0.7
106.82365	0.7
166.95868	0.9
241.74490	0.8
270.46463	0.8
289.64182	0.8
366.03540	0.9
534.46674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01380	14.1
61.98832	0.5
71.01385	2.0
73.02968	0.4
83.05028	1.4
85.02949	100.0
86.03291	0.9
87.04508	1.6
93.03443	0.5
95.05038	0.4
96.96003	2.2
97.57545	0.5
98.19901	0.8
98.20586	1.6
99.04523	8.2
101.06116	0.4
102.59949	0.4
107.04997	0.7
109.06588	1.7
111.04502	0.9
121.02966	0.6
121.06556	0.4
125.06012	0.5
133.06569	1.9
135.04585	0.5
137.06102	0.5
151.70323	0.5
159.08061	0.6
161.09668	1.4
171.06026	0.4
171.08012	0.5
171.10228	0.5
173.09668	1.2
175.07658	0.5
177.09157	0.4
187.11241	1.8
189.09192	0.5
189.41919	0.5
200.08231	0.4
211.11186	0.5
215.10744	1.0
243.10052	0.5
361.20215	0.5
401.23615	0.5
411.21762	0.4
443.20804	2.6
467.20282	0.4
485.21735	3.1
487.22968	0.6
511.26532	0.7
529.20331	5.2
529.27917	1.3
530.63959	0.5
531.25818	0.7
537.24536	0.8
553.24127	1.2
555.25195	0.6
571.25952	0.9
573.26953	2.9
579.25616	0.8
583.24908	1.6
597.26086	1.3
615.24249	56.7
616.24731	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	613.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02591	0.2
57.03450	0.2
59.01377	1.4
61.98829	0.7
67.01892	0.7
67.16946	0.2
69.03448	0.2
71.01382	0.4
71.53470	0.3
71.96185	0.2
72.86494	0.2
73.02940	0.2
79.05539	0.2
81.03461	0.2
81.70513	0.2
83.05035	1.1
85.02938	0.3
87.04485	0.2
88.98807	0.6
92.53026	0.2
95.05034	0.2
97.02943	1.7
97.06599	0.8
99.04520	26.8
100.04867	0.4
107.05058	0.3
109.06593	0.2
121.02954	0.3
121.06602	0.4
124.05320	0.5
125.06076	0.4
127.04025	0.3
129.07022	0.3
145.06599	1.9
147.04521	0.2
147.08124	0.7
163.11241	0.3
171.08107	0.5
173.06059	0.2
173.09674	0.4
175.11212	0.3
185.09663	0.4
189.09268	0.3
197.09758	0.3
199.11304	1.3
199.12878	0.2
200.08578	0.2
201.09081	0.2
201.12901	0.3
203.14372	0.5
209.09631	0.3
210.06876	0.6
211.07619	0.4
215.10779	0.2
225.09190	2.8
227.10796	1.4
228.11124	0.2
229.12308	0.3
237.12898	0.2
243.10257	0.4
253.12256	0.3
255.13918	0.7
281.15515	0.4
295.15448	1.3
299.16739	0.2
301.87582	0.2
321.18536	0.3
347.19922	0.3
373.21689	0.3
377.17282	0.3
403.26944	0.2
413.23340	2.0
439.21176	2.9
457.22296	4.8
458.22562	0.4
495.27472	0.9
521.25403	3.3
522.25787	0.3
539.26483	100.0
540.26794	7.8
613.31775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3016
Annotation	Wikstroelide H
Peak:m/z	Relative Intensity
50.67055	0.5
51.52895	0.4
59.01270	14.8
59.01608	3.8
60.99218	0.5
63.67436	0.4
67.01814	0.5
71.01285	1.1
71.01631	0.5
73.02856	1.1
83.04893	1.3
85.02820	26.3
85.03394	3.2
95.04912	0.5
97.06453	0.5
98.20006	1.9
98.20692	0.7
99.04374	29.0
99.05091	2.9
120.79988	0.5
121.06478	0.6
121.36830	0.4
124.05188	0.5
127.03883	0.7
145.06415	1.9
147.08025	0.8
158.98264	0.4
167.07010	0.5
168.61705	0.5
171.07954	0.6
183.07980	0.5
187.11154	0.5
188.40506	0.4
189.09079	1.0
193.08508	0.7
199.11099	0.9
201.12665	0.8
209.09470	0.7
212.08260	0.9
227.10745	7.2
229.12106	1.7
255.13875	0.7
259.13400	9.1
281.15125	0.4
299.16330	1.3
347.20007	0.9
349.21512	0.6
395.21985	0.8
403.98431	0.5
413.23303	5.4
414.24164	0.6
415.24622	1.3
445.25854	0.9
485.21741	1.1
527.30090	1.8
539.26154	0.8
541.27905	6.2
542.28711	0.6
571.29114	63.2
572.29382	6.7
613.30194	100.0
614.30603	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	613.2649
Annotation	Rohituka-13
Peak:m/z	Relative Intensity
57.03450	1.6
59.01379	38.5
61.98835	3.5
67.01909	0.7
69.03435	2.0
71.01395	3.6
71.05017	0.9
71.53561	0.7
73.02950	0.8
79.05524	2.2
81.03468	0.8
83.04579	0.7
83.05015	4.3
85.02952	7.1
87.00900	1.2
87.04496	3.8
95.05022	1.6
95.30382	0.6
97.02956	1.4
97.06584	2.7
99.04517	100.0
100.04865	1.8
101.02457	0.8
101.06079	3.4
105.07109	1.3
107.05025	2.9
109.02988	1.8
111.00919	0.8
111.04530	1.4
121.02959	9.1
121.06581	2.0
123.04547	0.9
123.08140	1.7
124.01673	0.8
125.06091	1.0
127.04000	1.0
129.07106	1.4
131.08632	0.9
132.05800	1.1
133.06590	6.9
133.10191	0.9
135.04497	1.4
135.08171	2.9
141.05548	1.5
145.10231	0.8
147.04488	0.7
147.08159	5.0
149.06137	0.9
151.07684	1.1
157.06526	1.5
158.07326	1.2
159.08165	4.3
161.09738	3.6
163.07652	1.0
163.11276	1.2
171.08170	2.0
171.10327	1.0
171.11792	0.7
173.06093	1.0
173.09702	4.5
175.07588	1.0
175.11223	0.9
183.08134	1.0
184.08803	0.8
185.09700	2.2
187.11258	4.1
189.12827	3.1
197.06140	0.9
197.11807	1.0
198.06897	1.9
199.07710	4.3
200.08434	0.8
201.12770	1.3
203.14214	1.0
203.16048	0.7
207.10135	0.8
211.07611	1.0
211.11253	0.8
212.08444	1.2
213.09227	4.0
213.12895	1.1
214.09958	2.1
215.10725	4.9
217.12350	1.1
223.13318	0.8
225.09120	0.8
227.10809	2.7
241.12187	1.0
243.10393	0.7
243.13890	0.9
251.14407	1.9
255.13994	1.6
259.09665	1.7
269.15433	2.1
277.12323	0.8
287.16385	1.1
295.15692	6.0
307.20731	0.7
309.18506	2.2
317.18964	0.7
335.20148	2.0
337.17035	0.8
339.19565	1.0
347.22385	1.8
357.20532	1.1
365.17441	2.9
373.19885	1.4
373.24075	1.1
383.22501	1.6
401.23334	8.5
402.23718	1.0
409.20834	3.4
417.23123	1.1
427.16846	0.7
427.21365	8.0
429.19101	2.7
435.18283	1.0
445.22385	1.1
455.24408	1.6
468.11041	0.7
473.25668	5.4
481.25961	0.9
483.27350	7.9
491.24039	1.4
509.25439	34.1
510.25681	2.6
513.22614	1.2
515.26703	3.6
523.26715	1.5
525.25232	0.8
527.26465	54.1
528.26581	4.9
531.23981	5.6
535.23541	0.9
537.28436	1.0
551.26501	17.2
552.27069	1.7
553.24335	2.5
569.27637	91.6
570.28052	11.1
571.25366	14.0
572.26050	1.2
581.27722	7.9
595.25385	8.1
613.26483	97.2
614.26630	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	613.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01379	41.1
61.98834	1.8
66.41472	0.5
67.01884	3.4
69.03460	1.3
69.65820	0.5
71.01398	2.6
71.05016	0.6
73.02950	0.6
79.05522	2.3
81.03449	1.7
83.05024	4.9
85.02954	16.2
93.03470	0.7
95.05016	1.7
96.96010	0.9
97.02978	0.6
97.06600	1.5
98.00069	0.4
99.04518	76.4
100.04847	1.6
101.06097	1.0
105.07117	1.3
107.05020	1.6
109.02940	1.3
109.06597	1.1
111.04549	2.2
111.08158	0.5
113.06075	0.8
119.04996	0.6
119.08676	0.7
121.02994	0.8
121.06577	1.3
122.03712	1.3
123.04501	0.8
123.08141	0.5
125.06095	1.3
127.03979	1.4
129.07097	1.0
130.04221	0.6
131.04953	1.2
133.06604	4.7
133.10254	1.2
135.04504	1.0
135.08170	2.9
137.09811	0.5
141.05565	1.5
143.08727	0.4
144.05766	1.4
145.06615	0.6
147.08176	3.3
149.06067	0.5
151.07660	0.9
157.06638	1.5
159.08142	6.4
161.06091	0.6
161.09698	2.6
163.07593	1.1
163.11249	0.4
165.09180	0.5
167.07071	0.8
169.05115	0.6
169.10252	0.5
171.08153	6.4
173.09691	4.1
175.07643	1.1
175.11302	1.1
177.09256	0.5
183.08122	1.4
183.11778	0.6
184.09059	0.6
185.06068	1.4
185.09682	1.6
187.11232	4.5
189.09206	0.7
189.12881	2.6
191.10768	1.3
193.08803	0.6
197.09782	2.3
197.13441	0.5
198.06804	0.9
199.07643	5.1
199.11317	1.1
200.08427	4.0
201.09138	0.7
201.12840	1.3
203.10692	0.5
203.14395	1.0
211.07619	0.9
212.08450	0.7
213.09103	2.6
213.12778	1.1
214.09958	0.8
215.10765	22.2
216.11142	1.4
223.11200	0.7
225.09267	0.6
227.10745	1.7
229.12265	1.4
229.61961	0.5
239.10779	0.6
241.12227	0.7
243.13751	0.6
251.14290	1.1
253.12410	0.6
254.13170	0.6
255.10696	0.5
255.13832	1.8
256.14386	0.5
263.11008	0.6
264.11633	0.5
265.09540	0.7
266.09344	0.6
267.10254	2.2
269.15396	2.2
273.15021	0.9
279.10516	0.6
281.11752	1.3
287.16638	0.9
291.17566	0.9
293.11526	0.9
295.15646	2.3
297.14951	0.8
297.18405	0.5
307.13266	0.7
307.20657	0.8
309.18491	1.8
320.13800	0.6
325.14374	0.9
335.16574	1.0
335.20203	1.8
339.19598	0.8
350.15250	0.9
357.20514	1.1
365.17477	5.1
365.21274	0.6
373.23938	0.8
379.18964	1.4
383.18561	2.0
383.22653	1.1
391.19049	1.5
397.20230	1.1
401.23370	6.6
409.20288	2.4
425.19562	2.0
427.21054	4.2
445.21695	0.6
451.21252	0.6
465.22650	1.1
467.24286	2.1
469.18262	0.6
473.25290	1.1
483.27817	5.1
484.28128	0.6
491.24503	0.9
495.24005	14.8
496.23880	1.3
499.27182	1.0
509.25500	22.2
510.25888	1.8
515.26154	1.0
525.24402	4.2
527.26514	34.5
528.26843	3.5
537.25067	5.5
538.25543	0.9
551.26532	12.8
552.26526	1.6
553.24744	2.1
569.27863	41.5
570.28143	3.6
571.25452	13.8
572.25568	0.6
581.25647	2.3
585.27698	0.9
595.25452	5.0
596.26050	0.6
613.26471	100.0
614.26794	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	613.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27512	0.5
55.01866	0.7
57.03426	1.2
59.01380	23.1
61.98838	0.7
69.03433	0.5
70.93625	0.5
71.01384	2.3
73.02948	0.5
79.05531	1.1
81.03445	0.6
83.05023	2.1
83.54237	0.5
85.02953	5.2
89.69045	0.5
93.03437	0.6
95.05021	1.1
97.02925	1.3
97.06586	1.3
98.19899	1.8
99.04517	72.9
100.04831	0.8
105.07084	1.0
107.05046	1.3
107.08686	0.5
111.04517	1.1
113.06020	0.5
121.02902	0.7
121.06583	1.1
125.06069	1.0
127.03986	0.7
129.07085	1.1
131.08624	0.8
132.05779	1.1
133.06593	3.6
133.10260	0.7
135.08182	1.9
136.05325	0.5
139.03987	0.7
141.05614	0.6
143.08609	0.6
144.05762	0.5
145.10190	0.9
147.08167	3.9
149.09723	0.6
150.42131	0.5
151.07678	0.5
157.06583	0.6
159.08116	2.4
159.11780	0.7
161.06076	0.5
161.09714	2.6
163.11296	1.1
165.09277	0.8
169.05003	0.6
171.08131	1.0
173.05951	0.6
173.09695	2.1
175.11281	0.7
183.08185	0.8
185.09729	1.6
187.11296	3.8
189.09180	0.8
189.12885	1.6
191.10753	0.9
193.08727	0.7
198.06857	0.9
199.07619	2.7
201.12830	0.6
203.14453	1.1
212.08426	1.4
213.09201	3.5
214.09993	2.6
215.07008	0.6
215.10710	1.3
215.14374	0.7
227.10776	1.6
240.07816	0.5
243.13896	1.4
251.14386	1.3
269.15485	1.7
280.11032	0.6
281.11777	0.7
295.15671	5.5
309.18542	1.6
335.20096	2.0
347.22375	1.6
353.21426	0.8
355.19580	0.6
365.17557	1.6
373.20139	2.1
399.22159	0.5
401.23276	6.2
402.23569	0.5
409.20056	2.2
427.21179	8.8
428.21072	0.7
451.21423	1.0
453.18793	0.7
455.24426	3.6
473.25436	9.9
483.27560	7.0
484.27844	0.6
491.24408	0.9
497.25400	1.3
509.25418	30.2
510.25790	3.4
513.21027	0.7
515.26410	4.3
527.26465	53.0
528.26886	4.9
551.26514	10.5
552.26892	1.0
553.24445	5.4
555.26270	0.7
569.27496	100.0
570.27789	10.5
571.25342	8.6
581.24109	1.6
595.25531	10.2
613.26471	68.8
614.26788	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	613.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35798	0.8
51.64420	0.7
53.01994	0.8
53.39772	0.9
59.01379	25.9
61.98816	1.4
69.03468	1.0
71.01384	1.1
79.05527	2.2
83.05015	1.7
85.02950	10.7
88.21777	0.8
95.05032	1.4
97.03902	0.8
98.19940	1.7
99.04520	65.9
109.06606	0.8
111.04469	0.9
121.06641	1.3
133.06584	6.4
133.10246	1.6
135.08180	2.9
145.06538	1.1
146.20195	0.8
147.08182	3.1
151.11281	0.8
153.09282	0.7
158.07439	0.8
159.07031	0.9
159.08154	5.1
161.09715	2.2
173.09705	5.1
185.09625	1.1
187.11267	3.2
189.12840	3.0
198.06784	1.1
199.07588	3.4
213.09212	2.5
214.09975	1.4
215.10815	2.0
225.09308	1.1
227.10753	2.0
243.14005	1.2
251.14301	1.2
254.12904	1.2
255.14119	1.2
263.10904	1.0
269.15405	2.4
287.16586	1.0
295.15482	3.5
309.18484	1.9
317.19122	1.0
335.16510	0.9
335.20129	2.0
339.19714	1.4
353.21362	0.9
357.20761	1.9
373.23889	1.6
383.22305	1.9
395.36423	0.9
401.23373	8.6
401.68307	0.8
409.20129	4.3
427.21173	5.1
465.26556	0.9
467.24191	1.6
473.25595	1.6
477.23126	1.2
483.27527	8.0
491.24408	1.4
495.23822	15.2
496.24094	0.9
499.27036	1.3
509.25385	31.8
510.25665	2.2
515.26691	1.2
527.26453	44.6
528.26978	4.8
537.24707	3.9
539.22809	3.6
551.26477	15.2
553.24481	2.5
569.27545	55.5
570.27960	6.8
571.25482	17.7
572.26074	1.1
595.25671	3.9
613.26489	100.0
614.26971	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	613.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39949	0.7
59.01376	15.5
61.98811	0.7
64.66832	0.7
68.73238	0.6
71.01372	1.4
72.09373	0.7
79.05531	0.9
83.05021	1.1
95.05000	0.9
98.20528	3.1
99.04515	46.4
107.04998	1.0
109.06575	0.8
111.04541	0.8
121.06618	0.7
125.06039	1.1
129.07117	0.9
133.06586	3.1
133.10201	1.0
135.08081	2.3
141.95987	0.7
147.08113	2.0
151.07608	0.6
153.82307	0.6
159.08116	3.4
161.09657	1.8
163.76390	0.6
173.09694	2.5
183.08128	0.7
185.09703	0.6
187.11223	1.9
189.12782	1.9
193.00766	0.7
197.09708	1.4
199.07596	2.3
201.12823	1.2
212.08430	0.8
213.09146	0.9
215.10739	1.2
227.10710	1.6
243.13905	0.8
269.15466	1.2
295.15472	2.3
309.18539	2.1
335.19949	1.3
365.17422	1.1
373.23895	1.0
383.22501	1.1
401.23325	6.2
402.23505	0.7
409.20087	3.0
411.18570	0.7
427.20972	5.2
445.22385	1.6
453.18604	0.9
483.27435	5.3
491.24023	1.2
499.26852	1.0
499.39737	0.8
509.25479	22.0
510.25620	2.3
527.26508	27.9
528.26703	2.3
551.26483	9.4
552.26630	1.1
553.24384	5.8
569.27490	36.0
570.28101	4.5
571.25299	15.5
572.25909	1.0
595.25336	7.6
596.25739	1.2
613.26459	100.0
614.26770	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	613.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08876	0.6
53.82189	0.7
54.59842	0.6
55.01948	0.8
59.01142	4.2
59.01479	18.8
61.98907	0.8
65.18270	0.6
70.92440	0.6
71.01106	0.9
71.01470	1.5
79.05629	1.5
81.03533	0.8
83.05122	1.5
96.96127	1.2
97.06697	1.1
98.00206	0.7
99.03616	2.0
99.04673	63.3
100.04934	1.2
105.07220	1.2
107.05167	0.9
109.06690	1.0
121.06725	1.2
125.06205	0.9
128.73889	0.6
129.07260	0.7
131.08795	0.7
132.05936	1.5
133.06798	2.1
134.07506	0.9
135.04666	0.8
135.08287	1.3
139.04179	0.8
145.10506	0.9
147.08170	3.8
157.06799	0.8
158.07460	1.0
159.08319	1.6
161.09888	2.5
171.08200	1.2
173.09897	2.9
175.11363	0.8
185.09865	1.4
187.11296	3.3
189.12955	1.9
198.06961	1.2
199.07877	1.7
201.12994	0.9
203.14574	1.3
211.07962	0.6
212.08586	1.7
213.09422	2.6
214.10188	2.2
215.10777	1.5
226.10110	0.7
227.10957	1.9
241.12619	0.7
243.13985	1.2
248.29317	0.7
251.14542	1.0
261.18863	0.8
269.15634	2.2
284.67944	0.8
295.15509	6.3
309.18878	1.4
335.20377	1.8
337.17307	1.0
347.22504	2.4
365.17453	1.4
373.20309	2.1
401.23264	6.6
409.20416	1.8
427.21332	9.8
442.35330	0.7
455.24463	2.6
469.22226	1.1
473.25360	11.8
474.25818	1.1
483.27576	5.6
509.25455	29.3
510.26309	3.6
515.26581	6.2
527.26489	56.2
528.26770	5.6
551.26611	9.9
552.26813	1.5
553.24554	2.9
569.27527	100.0
570.27814	11.7
571.25421	6.7
595.25195	8.1
596.24823	0.9
613.26471	51.3
614.26978	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	613.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
58.13512	0.5
59.01109	0.9
59.01377	11.2
66.59661	0.6
68.73203	0.7
71.01382	0.7
81.03458	0.7
83.05012	1.0
95.05019	0.7
97.06560	0.8
98.19943	1.3
98.20598	1.4
98.75623	0.6
99.04516	15.0
105.07069	1.0
107.05011	1.2
111.04527	0.9
121.06573	1.4
127.03949	0.7
131.05037	1.3
133.06616	3.9
133.10172	0.6
135.08119	1.1
147.08124	1.3
151.07600	0.6
159.08162	4.3
161.09692	2.0
172.08980	0.8
173.09674	1.6
187.11224	3.9
189.12918	0.7
220.11011	0.5
257.25134	0.6
335.20169	1.1
357.20508	1.0
383.21997	0.7
401.23294	22.1
402.23505	1.5
427.21283	1.7
445.22287	29.5
446.22699	3.2
487.23355	29.9
488.23480	2.2
531.22070	1.9
569.27393	4.3
613.26465	100.0
614.26715	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	612.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47913	2.1
59.01372	11.0
61.32931	2.0
61.98828	22.6
65.00328	2.5
66.51232	2.0
71.01362	4.7
71.54471	2.0
71.54850	2.6
78.99734	1.8
85.02946	2.8
87.56516	2.0
90.00461	1.9
96.96004	2.9
101.02420	2.4
121.02981	2.2
151.00348	7.9
178.99893	3.3
243.02917	6.2
255.02985	19.6
271.02493	41.2
300.02731	79.7
301.03488	27.4
463.08936	2.6
505.09866	100.0
506.10233	7.3
552.79852	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36145	0.7
57.03442	6.4
58.00565	0.8
59.01378	42.2
61.98825	8.0
62.27363	0.7
71.01381	21.5
71.54289	0.7
72.99305	1.1
73.02948	14.1
81.03452	0.9
83.01384	13.7
85.02950	26.7
87.00872	1.8
89.02442	13.3
94.19176	0.9
95.01363	1.1
96.96004	3.8
97.03030	0.9
98.95615	1.3
98.96416	0.7
99.00826	0.8
99.04507	2.7
101.02444	21.5
103.04012	40.6
107.35552	0.7
113.02448	8.8
119.03500	4.8
121.02972	1.6
123.42934	0.7
125.02428	9.0
129.01894	1.1
131.03468	1.1
134.08493	0.8
138.05582	1.2
143.03462	2.0
145.05075	2.0
149.02489	1.0
149.04536	1.1
150.03229	3.3
161.04599	2.7
165.01967	1.0
165.05579	4.8
167.03421	1.2
174.82137	0.7
179.05576	1.8
180.04286	0.7
182.02205	2.9
195.06609	2.3
197.04523	4.9
207.06818	0.9
209.04643	1.4
221.10266	3.1
242.65576	0.7
247.08191	2.4
265.09265	67.4
266.09558	2.3
305.11646	1.3
307.10321	34.0
307.13867	1.8
308.10852	0.9
326.73969	1.0
332.31503	0.8
334.45572	0.9
341.06836	1.6
347.13474	1.6
349.11343	7.1
365.14655	1.2
370.37894	0.7
391.12399	1.8
393.11993	0.9
553.28674	2.0
555.17151	5.5
595.22296	1.0
613.23486	100.0
614.24017	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	611.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37141	11.1
58.93814	11.6
59.01372	39.5
61.98830	73.2
71.01405	10.4
78.95914	15.5
85.02950	16.8
89.52890	12.0
96.96008	35.5
96.96914	10.1
98.19985	41.6
98.20684	23.1
112.23165	10.8
130.06801	11.0
131.46609	10.1
132.02809	10.9
145.06540	21.4
147.04489	26.0
193.04913	13.0
197.11711	11.1
253.12222	20.8
297.11374	100.0
563.65765	11.1
611.14868	18.3
611.67041	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	611.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36233	1.0
57.03421	2.0
58.00592	2.4
59.01381	59.3
61.91546	1.1
61.98830	1.8
67.53723	1.2
69.81245	4.5
71.01379	32.1
72.99313	1.7
73.02945	1.9
78.78403	1.0
83.01394	3.1
85.02952	10.1
87.00903	1.2
89.02448	22.5
95.01421	2.8
96.43320	1.1
96.96017	1.9
99.04518	14.9
101.02441	15.8
103.04032	2.6
109.06640	1.0
111.04478	1.0
113.02454	10.1
119.03500	9.5
134.62311	1.3
138.50374	1.2
138.74779	1.2
149.02426	2.8
150.03262	2.2
155.30479	1.1
161.04581	1.1
164.04811	1.3
165.01921	2.8
166.02650	1.2
171.11916	1.2
179.05641	2.6
180.04340	1.3
181.05110	1.8
189.12895	5.1
195.06627	2.5
207.13898	29.0
208.03777	2.0
208.14391	1.2
223.06093	5.9
225.07846	4.6
251.12865	56.0
252.13274	2.1
259.22733	1.0
269.13940	3.5
315.50113	1.3
373.34586	1.3
376.05624	1.4
387.20407	2.4
431.19186	76.8
432.19485	3.7
449.14563	3.4
449.20319	5.7
494.18976	1.2
551.26843	3.3
567.30145	1.6
591.74817	1.4
611.25690	100.0
612.25726	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	609.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
57.03448	2.5
58.00596	0.8
59.01379	100.0
61.98833	1.2
69.03465	1.1
69.22900	1.2
69.23286	5.4
71.01381	23.4
72.99318	1.5
73.02952	7.1
78.13814	0.6
83.01392	2.4
85.02957	13.4
85.98773	0.7
87.00900	1.5
89.02447	8.0
95.01390	3.8
97.02942	0.9
98.20692	1.3
99.00895	1.8
99.76743	0.5
101.02437	10.2
102.61938	0.5
113.02451	22.4
119.03523	2.4
121.02969	8.4
125.02444	0.6
143.03520	3.1
151.00378	1.1
159.02942	0.7
161.04533	5.0
176.04845	0.5
197.15508	0.7
243.03053	0.8
243.19673	1.2
255.02855	3.4
271.02429	5.5
300.02701	9.4
301.03381	4.4
314.93243	0.6
315.25375	1.4
343.28522	2.3
359.27979	0.7
361.29572	18.1
362.30106	1.0
405.13425	0.6
421.99127	0.6
433.27808	0.6
463.08972	3.2
503.32050	0.7
505.33835	81.2
506.34195	6.1
523.34808	17.2
524.35040	1.4
565.36041	7.4
609.13391	7.2
609.23627	4.9
609.30927	0.6
610.13953	1.0
610.24121	0.9
622.35516	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03991	1.2
52.60423	1.2
55.01879	1.7
57.03449	5.6
59.01378	100.0
61.98829	16.5
64.29958	1.3
69.31686	6.4
69.32104	5.5
71.01381	34.8
72.99303	4.1
73.02946	13.6
75.00875	1.6
81.57566	1.3
83.01400	5.7
85.02941	13.7
87.00887	2.1
88.98830	1.8
89.02419	8.8
95.01402	3.8
96.96021	1.6
98.20478	5.2
99.00903	2.3
101.02435	19.7
103.04037	3.1
113.02445	16.4
116.73248	1.6
119.03533	1.8
121.02949	2.6
121.06698	1.3
125.02430	3.4
133.10184	1.3
143.03485	1.8
143.10748	2.4
151.00381	1.3
159.02997	1.6
161.04570	6.5
178.99841	2.2
230.09985	1.3
243.02736	1.9
255.03091	4.8
271.02509	12.5
287.22241	1.6
300.02808	20.2
301.03561	6.7
315.25497	3.1
329.27167	2.0
343.28604	2.2
361.29724	6.5
368.26352	1.5
369.26572	1.4
387.27936	4.3
465.27182	4.8
505.33820	97.7
506.34387	5.6
507.28317	4.2
520.77332	1.4
523.34857	11.5
565.34717	4.4
600.87274	1.4
609.14697	20.1
609.24536	2.8
609.35065	46.3
610.34833	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	609.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98832	5.1
71.01385	0.5
78.95925	1.1
81.93079	0.3
85.02952	1.6
96.39299	0.3
98.19994	1.1
98.20674	0.7
99.04540	1.7
117.07098	0.3
121.02942	2.8
140.89745	0.3
146.31755	0.3
147.04532	0.7
149.62886	0.3
151.00436	1.0
152.99611	0.6
154.97174	0.3
158.33434	0.3
187.64726	0.3
225.11168	0.3
243.03073	0.7
255.03125	1.2
271.02518	3.6
272.02927	0.4
283.14261	0.3
300.02762	6.9
301.03525	2.2
368.60568	0.3
446.37994	0.3
450.93823	0.3
515.24841	0.5
559.23706	0.9
609.14905	6.4
609.27618	2.0
610.15112	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71683	1.0
55.01844	1.5
57.03440	6.3
59.01378	100.0
61.98590	1.0
61.98830	11.0
68.99831	1.6
69.03460	6.1
71.01009	1.7
71.01380	22.9
71.05031	1.9
72.99314	5.8
73.02938	5.9
73.76675	1.1
75.00861	5.8
80.56139	1.2
81.03459	6.3
83.01376	3.0
83.05029	12.5
85.02947	15.9
87.00864	3.1
89.02427	4.9
92.92891	1.1
93.03469	6.4
95.01379	3.0
95.05001	6.6
96.96003	2.6
97.02947	13.1
97.06588	1.2
98.20272	7.4
99.00875	11.1
99.04501	3.1
101.02437	6.2
103.04021	11.2
105.03476	1.3
107.01357	1.2
107.05004	2.6
108.02164	1.2
109.02945	5.0
111.00900	1.5
111.04518	68.9
113.02436	9.7
113.06084	1.7
115.03995	1.1
115.37780	1.1
119.03537	1.2
119.05002	1.7
120.99623	4.1
121.02956	8.2
121.06567	2.7
123.04528	20.1
125.02402	4.1
133.06587	1.8
135.04501	2.7
137.02432	2.1
137.06087	5.5
138.03223	1.7
139.04019	8.5
141.05652	2.0
147.04489	1.9
149.06087	3.4
151.00336	2.0
151.03972	1.5
151.07574	1.3
153.05589	1.8
155.07135	1.6
159.04495	1.2
161.04572	1.7
161.06090	1.6
163.03998	2.1
163.07573	2.2
165.05573	6.4
173.06078	2.4
175.03885	1.1
175.07741	1.5
177.05588	3.5
177.09143	2.3
178.06310	1.6
178.99841	1.3
179.07135	2.5
183.06615	8.8
191.07005	2.1
201.05467	1.1
203.07109	2.4
211.13373	10.6
220.79347	1.2
221.08105	2.6
241.08632	1.6
241.10771	11.7
243.02856	2.5
251.12903	1.4
255.03032	4.7
265.09232	2.0
271.02432	12.5
286.04977	1.3
295.09778	2.7
295.15506	2.8
300.02759	20.0
301.03430	5.3
313.07040	1.6
313.10632	1.7
313.71503	1.2
323.14975	2.6
325.12735	3.3
331.11734	4.2
331.15479	1.3
341.21188	2.3
343.11780	2.5
343.17456	3.5
361.18805	5.4
365.15833	4.5
367.14249	3.9
381.15714	1.3
391.15613	2.7
393.15363	3.4
395.17465	1.3
397.13123	6.9
407.16861	1.6
409.16492	3.4
415.14502	2.6
423.16522	2.6
427.17584	3.1
435.16748	2.7
445.22931	6.2
445.27612	1.4
451.17578	2.1
453.18127	3.3
461.18179	1.5
469.18512	6.9
487.18927	7.6
489.21216	1.8
505.19965	2.5
505.33618	4.0
507.22394	5.7
513.20959	1.9
529.20721	8.7
531.22333	4.4
547.21771	3.7
549.23364	36.2
550.23669	3.1
565.30450	8.3
567.24298	14.3
573.23126	1.6
591.24475	2.9
609.14551	16.8
609.26868	53.8
610.15216	1.2
610.26483	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1455
Annotation	Rutine
Peak:m/z	Relative Intensity
65.00323	0.8
67.05991	0.4
69.15302	0.4
69.22892	0.9
69.23296	2.9
83.01372	0.7
86.64501	0.4
88.74238	0.4
99.80051	0.4
103.59723	0.5
107.01387	1.6
108.02194	1.0
109.02934	1.1
121.02950	0.9
124.75430	0.4
148.01698	0.4
151.00378	7.0
162.58585	0.4
163.00397	1.8
163.03960	0.6
178.99840	4.8
189.87552	0.4
193.87808	0.4
199.03937	0.7
209.00652	0.4
226.02647	0.6
227.03503	1.4
243.03023	4.4
245.04669	0.6
254.02106	1.3
255.02982	15.0
256.03381	0.7
271.02454	26.9
272.03061	1.8
273.04034	1.1
276.94797	0.5
283.02481	1.2
299.02014	0.7
300.02734	82.9
301.03473	31.9
302.03870	1.0
343.04721	1.1
474.10410	0.4
609.14575	100.0
610.14893	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32124	0.9
51.90211	0.9
55.01875	1.7
57.03455	6.2
58.00581	0.9
59.01379	85.0
60.01720	4.6
61.01797	1.2
61.98823	2.8
63.02400	1.1
64.42135	0.8
65.00328	1.0
69.03448	1.8
71.01382	26.9
72.01723	2.0
72.99324	1.9
73.02943	7.9
81.77433	0.9
83.01390	4.8
85.02945	18.0
85.06588	1.9
86.00101	1.1
86.03294	1.5
87.00873	3.0
89.02435	7.8
95.01369	2.8
96.95988	1.4
97.02935	1.4
97.06618	1.4
98.20664	2.0
99.00864	2.5
101.02444	13.3
102.02779	1.8
103.04022	1.8
103.36302	0.8
105.77701	0.8
107.01360	2.5
111.00846	1.0
113.02441	14.5
114.02781	2.0
119.03525	2.3
120.99653	4.3
121.02952	2.9
125.02425	1.6
143.03473	1.9
143.10768	2.4
145.02972	2.5
148.01700	1.4
151.00351	14.1
155.06664	0.9
159.03084	1.1
161.04520	8.7
162.04890	2.0
163.00313	4.1
164.01134	1.2
178.99870	6.1
179.05627	1.0
199.04001	1.1
211.13399	3.1
220.19972	1.1
226.02711	2.1
227.03513	2.8
243.02995	10.6
245.04431	1.1
254.02072	1.8
255.02957	26.8
256.03201	1.4
257.21176	1.7
271.02469	55.7
272.03040	3.3
272.23120	1.3
283.02432	1.0
299.01849	2.1
300.02722	100.0
301.03479	42.0
302.03821	2.1
312.26248	1.1
359.28348	1.2
360.28397	1.6
361.29315	3.5
397.13489	2.7
434.28418	3.6
461.25336	2.0
463.08801	47.5
464.09125	3.5
465.27246	1.3
503.32196	7.4
504.32611	37.4
505.33435	41.8
506.33569	1.4
522.33643	10.6
523.34546	13.3
564.34772	3.2
565.34924	4.4
609.12585	63.7
609.32385	6.0
610.13123	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	609.1248
Annotation	56343-26-1
Peak:m/z	Relative Intensity
50.27169	0.3
56.55956	0.3
57.03434	0.3
59.01372	3.8
61.98817	0.7
63.02386	0.6
65.00323	1.7
71.01377	1.5
71.31339	0.6
73.02941	0.9
81.03476	0.3
83.01392	1.1
85.02948	0.9
89.02436	0.6
91.01871	0.4
93.03478	0.4
95.68808	0.3
101.02449	1.3
107.01399	3.4
108.02197	1.5
108.77124	0.3
109.02945	1.6
113.02482	0.6
117.03471	0.9
119.05031	0.6
120.99656	0.3
121.02920	2.2
121.82980	0.3
125.02449	0.5
132.78593	0.4
135.00838	1.2
145.02953	1.9
148.01643	1.4
148.19174	0.3
151.00359	13.2
159.04541	0.4
161.02437	0.6
163.00397	2.4
163.04068	0.5
163.81651	0.3
164.01125	0.8
169.01378	0.5
178.99847	6.4
185.06093	0.4
190.99818	0.8
192.00577	0.7
199.03938	0.6
201.05592	0.5
203.03465	0.6
209.00941	0.4
211.03993	1.3
211.13405	1.6
215.03455	1.0
216.04327	0.5
226.02725	1.4
227.03532	3.0
227.48804	0.3
228.04117	0.4
229.01262	0.4
229.05038	0.7
243.02951	9.5
244.03625	0.5
245.04494	1.5
254.02144	2.7
255.02971	26.1
256.03406	1.0
271.02457	56.2
272.02966	4.0
273.03955	0.9
283.02386	1.0
299.01947	1.5
300.02722	100.0
301.03473	46.7
302.03757	2.2
343.04507	0.4
386.19882	0.3
397.13577	0.9
463.08789	50.9
464.09167	3.6
504.32443	0.9
505.33521	0.8
522.33960	0.4
565.31909	1.1
609.12469	75.3
610.12830	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	607.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44806	0.3
55.01870	0.6
57.03448	4.0
58.00589	0.6
59.01377	39.6
60.01707	0.4
61.98829	11.6
69.03459	0.8
71.01379	14.5
71.05022	0.3
72.99303	1.0
73.02944	15.4
78.95914	1.2
81.03459	0.5
83.01388	6.6
83.05008	0.5
85.02950	19.3
87.00897	0.9
87.04523	0.6
87.64281	0.3
89.02444	4.7
89.02958	0.5
95.01400	0.8
95.05009	0.3
97.02950	0.3
97.06567	0.3
99.00889	0.9
99.04510	1.6
101.02440	11.2
101.06087	0.6
103.04010	36.9
109.02971	0.3
111.04475	0.4
113.02454	4.4
117.05590	0.7
119.03511	1.7
121.02966	3.5
123.04513	0.3
125.02471	0.5
126.67738	0.3
127.14342	0.3
131.03494	0.8
143.03485	0.7
143.10782	0.8
145.05084	1.3
147.04506	2.8
152.99626	0.5
157.05086	0.4
161.04576	1.1
187.15140	0.3
197.15498	0.9
200.61809	0.3
209.11801	0.7
247.08183	3.1
263.20056	0.4
265.09259	15.8
266.09625	0.7
283.22739	0.4
299.25931	2.7
307.10324	26.2
308.10593	0.7
325.21640	0.7
335.43329	0.3
359.27975	4.2
367.22720	0.4
429.22717	0.8
471.23663	0.6
508.16144	0.3
547.25446	0.5
563.34253	2.9
564.35010	0.3
607.37000	100.0
608.27759	0.6
608.37396	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	607.37
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.5
56.90921	0.4
57.03454	4.2
57.84764	0.4
58.00594	0.5
59.01379	47.9
60.01714	0.5
61.98826	12.1
69.03458	0.9
71.01380	17.2
71.54358	0.6
72.99299	1.3
73.02946	16.9
75.00905	0.7
77.06646	0.4
78.95918	2.0
80.96518	0.8
83.01385	7.7
83.05020	0.5
85.02948	22.5
86.00082	0.5
86.83559	0.4
87.00892	1.8
87.04523	0.7
89.02441	7.0
95.01376	0.7
95.86000	0.4
97.02934	0.8
98.20502	0.5
99.00870	0.6
99.04533	1.8
101.02439	13.5
101.03112	0.7
101.06094	1.7
103.04009	38.9
104.04368	0.5
113.02443	5.3
115.74138	0.4
117.05582	1.1
119.03503	2.5
119.05002	0.4
121.02956	6.3
125.02469	0.9
127.11267	0.4
131.03500	1.1
143.03542	0.5
143.10870	0.5
145.05013	1.0
147.04514	2.8
152.99615	0.8
157.04974	0.4
161.04593	1.0
161.06017	0.6
179.05597	0.4
197.15511	0.7
221.16287	0.4
247.08192	3.8
265.09268	16.9
266.09650	0.5
299.01819	0.8
299.25955	3.3
307.10330	29.1
308.10794	0.7
344.13284	0.5
359.28046	4.8
487.32620	0.6
547.26984	0.5
563.34161	4.0
589.36658	0.7
607.27087	4.4
607.37042	100.0
608.28094	0.8
608.37408	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	607.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53276	0.5
50.66360	0.6
57.03446	0.9
58.00572	0.5
59.01379	82.2
60.01715	1.4
61.98833	5.2
62.61146	0.5
70.39385	1.3
70.39712	0.6
71.01379	11.3
72.99304	0.6
73.02948	7.5
78.95933	0.8
83.01404	2.1
85.02951	6.0
85.06580	0.8
87.00877	2.1
88.98809	2.6
89.02442	2.7
93.24851	0.5
95.01418	1.4
96.05912	0.5
96.96096	0.5
98.20296	1.3
99.00900	1.7
99.04482	2.7
101.02444	8.8
103.04011	0.7
113.02460	3.6
119.03499	0.6
121.02954	1.1
134.71591	0.7
134.81235	0.6
143.03625	0.7
145.22937	0.6
147.04587	1.2
148.04930	0.6
151.11253	0.7
161.04572	1.4
193.29485	0.5
195.09590	0.6
209.11928	0.8
238.10538	0.6
242.02588	0.6
245.83626	0.6
251.23798	1.1
341.26990	5.4
359.28003	1.3
443.23953	1.0
445.22372	1.6
459.27603	3.5
485.24112	1.0
487.32654	1.9
503.32376	3.2
521.33392	5.1
527.26666	0.8
547.24573	1.7
563.34332	100.0
564.34766	8.4
589.25757	0.7
607.25024	2.8
607.36896	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	607.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
55.20751	0.7
56.53692	0.7
57.03454	3.6
58.00594	1.1
59.01379	100.0
59.72015	0.7
61.98829	4.5
69.18026	6.3
71.01386	24.2
71.01782	1.2
71.05049	1.0
72.99305	3.7
73.02948	9.1
75.00893	1.1
78.95934	1.0
80.96510	1.7
83.01379	5.0
83.05019	2.9
85.02956	11.0
87.00888	6.5
87.04514	2.9
88.98799	2.7
89.02440	13.1
95.01399	2.9
96.96001	1.0
97.02946	1.4
98.19923	1.3
99.00887	1.4
99.04524	4.9
101.02444	13.4
103.04027	1.2
112.98594	2.2
113.02455	18.8
117.97433	0.9
119.03518	6.1
121.02940	1.8
123.04553	1.2
125.02425	1.0
131.03503	1.3
143.03456	3.7
147.04500	2.2
161.04567	5.3
179.05650	4.3
201.11258	1.1
209.11815	3.2
211.17049	1.0
314.80994	1.0
341.26968	6.2
359.24835	0.9
359.28201	8.0
399.25497	1.6
443.24442	5.7
444.24756	1.0
445.22363	1.2
463.25510	1.3
469.22412	1.2
487.23254	8.3
503.26517	3.9
503.32385	38.3
504.32584	3.2
521.33215	14.8
547.25482	32.4
548.25873	3.0
563.34375	9.9
571.25519	5.4
607.26825	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	607.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03440	0.9
59.01381	87.7
60.49723	0.5
61.98829	4.8
71.01387	7.9
73.02935	5.3
75.48435	0.6
83.01401	1.6
84.53101	0.6
85.02961	4.4
89.02470	1.1
95.01407	0.8
99.00898	2.1
101.02440	8.3
103.03996	0.9
113.02439	3.8
121.02982	0.9
125.02469	0.7
129.00301	0.7
143.03487	0.7
143.10789	0.6
147.04535	1.0
147.12950	0.5
153.00230	0.9
159.02950	0.7
161.04610	1.9
163.17400	0.6
179.83105	0.6
198.64069	0.7
216.24049	0.6
308.55322	0.6
314.07712	0.7
341.27042	2.1
359.22720	0.6
359.27966	0.9
387.15509	0.6
461.31387	1.1
487.32687	2.9
498.29083	0.6
503.32281	1.2
505.34064	1.1
509.46805	0.7
521.33398	2.3
545.33759	0.9
547.34937	0.8
563.34344	100.0
564.34698	7.9
607.32117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	96.1
61.98818	3.7
71.01389	9.7
73.02949	3.7
83.01382	1.4
85.02959	4.6
89.02451	1.9
98.19866	1.6
99.00866	1.1
101.02444	7.1
113.02443	4.5
119.03516	0.7
125.02603	0.8
147.37679	0.6
161.04533	1.2
397.39096	0.8
503.32455	1.5
521.32904	1.5
563.34332	100.0
564.34784	9.4
607.26959	2.0
607.36957	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	607.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33527	0.4
59.01383	7.0
61.98831	19.7
66.37173	0.4
67.01925	0.4
69.03463	0.5
69.66964	1.0
69.67360	1.0
71.01369	1.2
73.02940	0.5
79.05504	1.2
81.03448	0.6
83.05045	0.8
85.02934	0.9
90.97761	0.4
93.03468	1.0
95.05033	0.5
97.06591	0.5
99.00866	0.6
99.04541	1.0
107.05032	1.1
108.74134	0.4
109.02951	0.5
109.06576	0.7
111.04513	0.9
113.97797	0.4
119.05015	0.7
121.02957	100.0
122.03320	2.1
123.04541	1.4
127.03997	0.5
131.05025	1.1
133.06595	8.0
135.04544	2.5
135.08173	1.1
141.05617	0.6
144.05783	1.0
145.02969	1.4
147.04533	3.0
147.08189	1.0
149.06073	0.8
153.05545	0.4
157.06604	0.5
158.03664	0.6
159.08194	2.9
161.09781	0.9
167.07103	0.6
171.08197	0.5
175.07571	0.5
177.05594	2.5
185.09694	0.6
187.11293	1.3
191.10753	0.9
192.39966	0.4
198.06834	0.4
199.07634	0.7
199.11324	0.4
213.09045	0.7
241.01550	0.5
278.30017	0.4
304.44189	0.4
309.48984	0.4
323.16483	0.5
335.16431	0.8
353.17676	0.8
381.17255	0.5
391.19446	0.6
397.19547	0.4
409.20395	0.6
427.21191	10.1
428.21606	0.6
445.21954	1.1
457.28723	0.4
479.66422	0.4
513.22534	0.8
515.22742	1.0
531.23883	17.0
532.24005	1.3
553.72308	0.5
563.26483	4.4
575.22400	2.0
598.86047	0.5
607.25403	43.1
608.25861	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	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.1
57.03444	8.9
57.98814	1.5
58.00585	2.0
59.01381	100.0
64.44564	1.7
69.24351	13.9
71.01382	35.0
73.02956	11.1
79.23491	1.5
83.01375	6.6
85.02465	1.7
85.02957	21.4
85.06578	2.1
87.00880	1.8
87.04529	2.9
89.02430	7.1
95.01405	4.4
97.02975	2.7
97.06587	2.9
98.19887	3.4
99.00874	4.2
101.02438	20.5
113.02453	24.7
116.55556	1.8
119.03469	1.9
124.23579	1.5
125.02475	2.4
143.03484	3.7
143.10789	3.4
159.02956	2.6
161.04575	12.0
176.62810	1.4
271.22818	3.8
311.26022	2.5
313.27499	2.1
323.25800	3.8
341.26895	2.2
359.27853	6.9
433.28186	7.6
455.30640	1.7
477.35086	1.7
503.32272	99.9
504.32147	7.5
521.33258	28.9
522.33514	2.4
563.34485	11.7
607.24475	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	607.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.2
57.03439	5.9
58.00576	1.3
59.01379	100.0
69.24062	12.4
71.01014	2.0
71.01382	30.1
72.07699	1.5
72.99300	2.7
73.02946	8.5
83.01377	4.9
85.02942	17.7
87.00874	1.6
89.02437	11.6
90.04022	1.2
95.01366	3.5
95.56476	1.5
97.02927	2.2
98.20280	6.9
99.00884	3.1
101.02432	14.6
113.02455	17.9
119.03478	5.0
121.02943	3.1
125.02463	1.9
135.04497	1.6
143.03543	2.7
143.10760	3.3
161.04559	9.8
161.13345	2.9
164.04776	1.6
175.85365	1.3
179.05603	2.2
341.27020	2.5
359.27948	2.8
388.14999	4.2
403.17468	4.0
427.10437	2.3
443.24216	5.0
463.25467	2.5
485.31192	10.1
503.32330	69.0
504.32736	7.1
521.33240	14.0
547.21234	15.3
548.22400	1.7
563.30212	14.8
565.22717	5.4
607.30920	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	607.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.6
61.98828	3.0
66.33158	0.3
69.95287	0.3
71.01382	2.0
73.02950	1.1
77.03975	0.4
78.95890	0.5
80.61295	0.3
83.01408	0.3
85.02962	1.0
87.59881	0.3
89.02444	0.6
89.60176	0.3
93.03460	0.9
95.05012	0.4
95.84344	0.3
98.00100	2.2
98.07600	0.3
101.02460	0.7
103.04015	2.0
103.05566	0.5
107.05006	0.9
108.02224	0.3
109.06618	0.3
113.02461	0.5
115.05559	0.5
119.05037	0.8
121.02958	100.0
122.03265	1.0
124.05276	0.3
130.04222	0.6
131.05025	3.4
133.06595	9.7
135.04558	0.9
144.05797	0.3
145.02937	0.8
145.06479	0.4
147.04512	1.2
147.08153	0.7
149.06062	0.7
149.09659	0.4
157.06642	0.3
159.04541	0.7
159.08188	0.9
161.04543	0.6
161.05983	0.3
161.09688	0.5
175.04024	0.3
177.05569	13.8
187.11281	0.5
191.07150	1.7
199.07750	0.9
203.07256	0.4
213.09232	0.4
229.08830	0.5
246.50850	0.3
265.09515	0.8
295.13379	0.4
307.10379	1.3
371.18619	0.6
383.50244	0.4
401.24185	0.3
409.20401	0.7
427.21194	1.3
442.89996	0.4
513.22986	0.6
531.23859	16.4
532.24176	1.7
535.26221	0.7
554.71472	0.4
563.26495	8.5
563.34338	1.0
564.26880	0.8
575.22772	6.8
576.23065	0.7
607.25500	43.3
607.36450	4.2
608.25763	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	607.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.9
61.98830	7.3
69.03455	0.6
69.19425	0.9
69.19839	3.2
69.68412	0.4
71.01376	1.1
71.44772	0.4
72.99299	0.4
78.95919	0.4
79.05511	0.5
84.63164	0.4
85.02956	0.9
85.53094	0.4
87.00895	0.5
93.03471	1.1
95.05009	0.4
97.86082	0.4
98.20695	0.9
99.04508	0.5
105.07124	0.5
107.05054	0.4
111.04500	0.6
119.05042	1.3
121.02956	100.0
122.03297	1.5
123.04472	0.6
123.67400	0.4
128.18755	0.4
133.06598	6.9
135.04530	1.6
145.02933	1.1
147.04506	8.4
147.08098	0.5
149.06119	1.0
159.08109	0.5
161.09729	0.7
181.72194	0.4
187.11243	1.2
193.05034	0.6
213.09128	0.6
227.12851	0.5
259.19070	0.5
314.68887	0.5
359.27948	0.7
361.17935	0.7
379.19241	0.5
402.18726	0.4
409.20236	0.7
427.21222	11.6
428.21579	0.9
445.22260	1.2
459.20081	0.5
485.13095	0.4
513.22876	1.0
531.23871	16.6
532.24164	1.5
563.26355	3.6
563.33972	0.6
575.22296	0.7
579.25385	0.4
607.25464	51.3
608.25793	4.6
612.26270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72920	0.3
55.01869	0.3
57.03439	1.2
57.27085	0.3
58.00584	0.6
59.01379	16.8
71.01382	8.1
71.14863	0.5
72.99318	0.4
73.02954	0.3
79.17603	0.2
83.01366	0.3
85.02952	9.6
87.00921	0.7
89.02441	10.1
95.01383	0.6
99.04564	0.3
101.02447	6.2
103.04015	18.8
113.02454	4.3
117.05544	0.3
119.03498	4.1
131.03522	0.4
145.05092	0.5
161.04622	0.3
179.05620	0.5
265.09271	100.0
266.09586	3.1
441.27704	0.3
504.89545	0.3
568.91766	0.3
578.35498	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
61.98832	100.0
74.77683	0.2
101.81614	0.1
105.57903	0.2
121.02954	2.3
131.05090	0.2
147.04564	0.4
181.36429	0.2
209.11920	0.2
211.13522	0.2
227.87843	0.2
243.97031	0.2
247.23257	0.2
531.24237	0.4
533.46454	0.2
606.25763	0.3
607.25372	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.1
61.98829	100.0
71.01376	0.7
71.52956	0.5
71.75113	0.2
72.45309	0.2
76.76174	0.2
78.95915	0.8
79.26981	0.3
79.95734	0.4
80.96515	0.6
85.02950	0.4
88.98794	0.3
101.02451	0.6
104.30507	0.2
142.77385	0.3
147.04539	0.3
152.84219	0.3
152.99603	0.4
211.13437	0.7
248.04167	0.2
286.71863	0.3
401.43021	0.3
487.94748	0.3
575.26337	0.5
607.23730	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94569	0.8
61.98829	100.0
68.93343	0.7
69.86472	1.1
69.86866	2.0
75.49482	0.7
76.42532	0.7
80.77724	0.6
84.25206	0.7
115.47127	0.8
142.93433	0.8
173.58641	0.7
326.56512	0.7
382.35571	0.8
401.35519	0.9
474.20374	0.7
543.39252	1.5
564.71173	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.5
57.03446	1.7
58.43245	0.4
59.01380	100.0
61.98818	0.8
69.31916	2.3
69.32341	2.0
71.01383	6.4
73.02956	2.8
82.29951	0.5
83.01399	0.6
83.05052	0.9
85.02947	2.8
87.00892	1.0
87.04533	0.7
88.98838	0.6
89.02462	2.1
95.01399	0.8
98.19880	1.0
101.02455	4.1
113.02452	3.4
119.03558	1.0
122.43652	0.5
140.27289	0.4
161.04564	1.6
227.10814	0.6
249.05516	0.7
265.05118	1.9
265.09000	0.7
279.06787	0.8
281.08344	1.0
297.07736	3.0
299.46539	0.5
308.06815	0.8
309.07635	9.0
309.10806	0.7
320.06857	0.7
321.07614	3.6
322.08588	1.7
323.09348	1.7
324.09943	1.2
325.07144	11.6
325.10687	1.0
326.07648	0.7
335.09460	0.6
336.10263	2.5
337.07175	17.7
338.07700	1.0
339.23431	1.3
340.09506	11.2
340.13455	0.7
351.08673	2.8
352.09445	9.7
353.10098	0.9
355.11856	38.2
356.12265	2.3
359.28223	1.9
367.11841	53.1
368.12234	3.0
377.40118	0.6
381.24319	0.9
399.25491	1.1
433.27902	0.6
443.24426	5.0
463.25821	1.2
487.23557	1.5
503.26266	2.7
503.32629	13.3
504.32654	0.7
505.26636	0.8
521.33582	2.8
547.25543	7.9
563.31305	1.1
607.27667	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.3
60.01710	0.6
61.01796	0.5
61.98831	100.0
69.19872	1.5
69.20295	0.9
71.01387	0.5
79.95706	0.3
80.96537	0.7
85.02951	0.4
99.17258	0.3
121.03030	0.5
147.04552	1.1
147.82475	0.2
171.45361	0.3
200.89807	0.3
209.12016	0.3
210.64661	0.3
242.56285	0.3
292.53165	0.3
357.29572	0.3
390.99796	0.3
459.65994	0.3
489.31265	0.3
606.27679	3.6
607.24225	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	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.1
57.03446	2.9
58.00600	2.1
59.01380	74.1
69.40176	4.7
69.40600	5.3
71.01383	20.0
73.02958	8.7
74.40228	1.2
79.27825	1.3
83.01378	3.0
85.02946	11.7
85.06580	1.5
89.02430	4.0
90.88620	1.5
94.90994	1.1
95.01379	2.3
96.96008	1.8
97.06977	1.4
98.20696	2.5
99.00875	1.8
99.04456	1.5
100.57169	1.3
101.02452	12.9
106.28104	1.4
111.00845	1.8
113.02447	9.6
161.04543	2.0
164.20116	1.5
278.86169	1.5
313.27359	1.9
339.25500	1.5
475.32257	2.1
501.30688	3.7
561.32739	100.0
562.33563	7.7
605.25879	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	605.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55922	0.4
57.20132	0.4
59.01380	100.0
60.01719	0.6
61.98830	21.6
71.01433	0.4
72.27984	0.4
73.02983	0.4
78.95887	0.7
79.43727	0.3
83.05031	0.7
85.02962	1.5
87.04523	1.1
98.20284	2.2
99.04581	1.1
103.78201	0.4
111.04547	0.7
118.22311	0.4
119.03535	0.5
121.02912	2.4
147.04520	5.3
147.05476	0.5
179.07219	0.7
180.70818	0.4
185.64514	0.4
209.11789	0.5
211.13411	1.3
266.09503	0.5
289.85855	0.4
405.54248	0.4
463.30841	0.8
505.31537	3.2
535.53131	0.4
547.32819	0.5
563.26599	0.7
605.27673	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	605.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
57.62248	0.2
58.00582	0.7
58.70323	0.2
59.01380	16.2
60.59344	0.2
61.98831	4.2
69.03449	1.2
71.01383	1.4
71.05008	0.9
73.02950	6.2
75.00866	0.5
78.89944	0.2
81.03442	0.3
83.05029	1.7
85.02943	0.5
85.06574	1.1
87.04514	0.4
93.03474	0.2
95.05016	0.5
95.10769	0.2
97.06589	8.1
99.04503	0.6
101.06076	0.3
109.06606	0.3
117.05589	2.0
121.02955	3.8
125.09706	0.3
135.18250	0.2
147.04483	1.4
151.11275	0.3
163.11282	0.6
171.11684	0.2
181.12318	1.6
221.15500	0.7
250.84082	0.2
287.20111	0.3
311.20163	0.3
321.24295	0.7
329.24728	0.3
345.24268	0.7
347.25876	0.9
359.25858	0.9
371.25873	3.5
373.27585	0.5
375.29086	1.2
385.27512	3.1
387.24963	0.3
387.29300	0.4
389.26898	2.7
397.27618	1.0
399.28918	0.5
401.26849	0.5
403.28549	7.7
404.29025	0.6
405.30096	0.8
409.27496	0.5
415.28497	2.5
417.30145	0.4
419.27979	0.2
427.28476	3.0
431.28015	2.1
433.29651	2.6
434.30026	0.3
435.31110	3.4
436.31555	0.3
445.29495	5.9
446.30008	0.4
457.29480	1.2
463.30634	15.4
464.30817	1.0
469.29709	0.5
475.30804	0.5
487.30780	1.8
505.31711	100.0
506.32043	8.1
517.32086	0.5
529.31274	0.3
547.32715	12.9
548.33057	1.3
563.26276	2.5
564.26648	0.3
587.34741	0.2
605.27582	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	605.2754
Annotation	Taxinine
Peak:m/z	Relative Intensity
56.03232	0.3
59.01380	9.2
61.98828	8.5
62.81079	0.3
71.01372	0.4
71.53597	0.4
73.02944	0.7
77.03984	0.4
78.95918	0.4
83.05022	0.5
85.02953	0.9
87.04491	0.4
88.56697	0.3
93.03461	0.7
96.12071	0.3
96.96011	0.4
97.06595	0.6
99.04530	0.6
101.02458	0.6
108.02204	0.3
111.04507	0.3
121.02957	100.0
122.03287	1.5
123.04541	0.7
134.69246	0.3
145.06538	0.3
147.04535	1.6
147.08194	0.4
149.06044	0.3
211.13498	0.3
335.64917	0.3
415.27945	0.3
463.30591	0.8
505.31729	8.4
506.31848	0.5
547.32831	0.9
563.26465	70.6
564.26782	5.6
605.27948	3.8
606.26740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.6
57.03442	5.0
58.00609	1.9
59.01381	100.0
61.98822	9.8
68.01976	1.9
69.39462	2.8
69.39872	10.9
71.01380	36.0
71.05024	2.3
72.99306	4.3
73.02949	18.0
74.99068	2.0
75.00890	2.1
76.75660	1.7
78.54903	1.7
81.03458	2.3
83.01396	5.4
83.05027	5.5
85.02948	16.6
87.00877	5.4
88.98806	2.9
89.02443	17.1
96.96027	5.4
97.02997	1.9
99.00890	3.2
99.04527	5.6
101.02449	21.9
103.04008	3.9
111.04524	2.1
113.02455	12.9
116.07139	2.3
118.98109	4.8
119.03504	9.8
119.04981	1.7
123.04453	2.1
123.08104	1.7
125.02451	2.9
148.38531	1.5
161.02426	1.7
161.04570	4.3
179.05627	2.7
243.87099	1.8
265.09222	2.7
313.23880	4.1
357.13492	2.1
461.23868	3.8
469.20190	2.0
501.25504	5.1
503.24866	2.8
509.16562	2.4
561.29126	94.1
562.30029	8.2
605.22772	12.4
605.31689	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	605.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84774	0.2
52.09973	0.2
57.03458	0.2
59.01379	15.1
61.98827	0.8
67.01874	0.4
69.03449	0.6
71.01380	1.4
71.05016	0.6
71.72389	0.2
77.03944	0.2
78.95895	0.3
81.03468	0.2
83.05020	1.5
85.02961	0.6
93.03448	0.3
93.27499	0.2
97.06578	1.0
98.20756	0.4
99.04514	0.5
109.03000	0.2
109.06597	0.3
111.04538	0.4
113.06121	0.2
119.05016	0.6
121.02955	100.0
122.03275	2.2
123.04492	0.2
134.03809	0.2
135.04524	3.6
139.07684	0.2
140.07967	0.2
141.09256	0.6
145.02901	0.3
147.04498	1.2
151.07640	0.2
163.11281	0.2
167.10788	0.2
191.53395	0.2
193.12511	0.2
203.07230	0.2
209.09863	0.2
211.13503	0.4
224.07701	0.2
313.21695	0.2
323.16745	0.2
323.20300	0.6
341.21368	1.2
351.19748	0.3
377.21707	0.2
383.22253	1.1
385.24033	0.3
395.22195	0.3
397.20218	0.6
399.21848	0.5
403.22928	0.2
425.23248	0.6
429.24323	0.5
439.21884	0.2
441.23093	0.3
447.25439	0.8
449.23404	0.4
465.23285	0.2
475.24857	3.0
476.25146	0.2
491.23785	0.3
501.26413	2.4
519.27490	12.9
520.27484	1.3
561.29150	1.3
562.28619	0.2
563.26050	1.2
587.26013	0.3
605.27631	10.7
606.27893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50582	0.3
59.01389	2.9
61.98836	0.8
79.05518	0.3
83.05030	0.5
93.03474	0.4
98.20292	2.0
104.19575	0.3
118.58657	0.3
119.04987	0.3
121.02955	100.0
122.03293	1.8
125.06116	0.5
129.41135	0.3
147.08131	0.4
153.52861	0.3
155.46255	0.3
189.74155	0.3
194.93207	0.3
201.09238	0.5
203.07228	0.4
264.07867	0.3
300.99582	0.3
309.14618	0.4
323.12848	0.5
419.32327	0.3
439.21112	0.5
441.22705	0.8
443.20648	0.6
545.25610	1.6
563.26453	89.7
564.26801	8.8
605.27362	0.9
633.80725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85596	0.7
57.03441	3.6
59.01378	100.0
60.99293	4.1
61.98829	11.6
64.71474	0.8
65.11204	0.8
69.03459	7.1
71.01374	5.8
71.05021	0.8
72.46063	1.0
72.99300	3.2
73.02931	2.4
79.05515	0.9
83.01386	0.9
83.05017	2.3
85.02942	6.2
87.00881	5.6
87.04513	5.0
88.98788	1.3
89.02444	1.4
93.03441	3.0
95.01348	1.4
95.05016	1.7
96.96009	2.5
97.02932	2.0
97.06582	0.9
99.04498	1.6
101.02434	2.5
103.04003	1.1
107.04990	1.5
111.00874	1.4
113.02430	1.4
115.03987	2.1
119.03481	3.6
120.05774	1.0
121.06597	1.1
123.04471	1.3
128.03497	0.9
129.01917	1.4
134.03703	1.7
135.04471	1.1
135.08180	4.4
137.06061	3.0
163.82785	1.0
167.65396	0.8
193.04984	1.6
218.87119	0.9
265.09180	0.8
289.11078	1.3
295.20749	1.3
341.20963	0.8
351.23230	1.1
353.21078	3.2
366.18375	1.1
367.22876	0.9
369.24493	2.0
371.22189	2.3
379.22592	1.6
381.20856	4.7
397.23785	7.7
399.21658	1.3
401.12241	1.2
411.21411	1.8
413.23480	1.2
423.21674	3.0
424.21649	1.0
441.22806	57.7
442.23035	3.4
455.24835	1.6
471.23920	2.1
483.23804	3.5
485.21829	18.5
486.22382	1.6
501.24954	69.5
502.25046	6.4
527.22809	5.3
545.23865	64.4
546.24329	5.3
575.21747	1.5
605.21954	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	605.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
57.03458	6.0
59.01383	37.5
61.98824	3.2
69.03466	2.2
71.01374	5.2
71.53245	1.5
73.02949	1.6
81.03477	2.5
83.01384	1.6
83.05041	3.7
85.02950	7.0
87.00874	3.0
87.04513	5.8
88.98802	0.9
89.02458	1.2
97.02974	0.9
99.04512	4.2
101.02438	3.2
101.06070	3.4
103.04016	3.2
107.08698	2.5
111.22512	0.9
113.02458	1.2
124.23921	0.8
137.06023	0.9
138.47839	0.8
140.67906	0.8
147.04532	0.9
173.13391	1.4
199.14856	1.4
241.16081	0.9
265.09381	1.6
293.22748	2.4
319.20786	1.1
323.23703	1.4
335.23801	1.1
337.21716	8.4
339.25406	1.4
357.26608	1.9
379.22845	5.3
381.20694	19.2
395.22205	1.9
397.23886	4.9
423.21680	11.5
441.22821	62.1
442.23190	5.5
455.24405	3.9
483.23843	18.5
483.30679	0.9
484.23914	1.6
485.21863	15.6
501.24854	9.3
501.30682	0.8
519.31720	1.6
545.23920	100.0
546.24188	8.0
561.33105	25.9
605.27582	5.7
605.35693	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	605.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.1
59.01380	100.0
60.37122	1.1
60.99294	1.0
61.98823	4.2
69.03463	6.8
69.33588	3.4
69.34012	4.8
71.01384	6.0
72.99311	3.0
73.02940	2.8
74.36582	0.9
79.05523	1.0
81.03474	1.2
83.01376	1.1
83.05033	3.3
85.02950	6.8
87.00876	5.7
87.04517	4.4
88.98801	2.5
89.02433	1.5
93.03443	2.1
95.01364	1.1
95.05035	1.1
96.96015	2.0
97.02943	2.1
99.04533	3.3
101.02470	3.7
113.02493	2.2
115.04002	3.4
120.05796	1.2
135.08179	3.8
137.06084	2.5
140.92250	0.9
151.00305	1.1
175.02734	0.9
265.09045	1.0
303.15976	1.3
353.21292	1.8
369.24380	1.2
371.22339	1.9
381.20746	3.7
397.23929	7.8
399.21774	2.1
411.21783	1.6
413.23526	1.9
423.21561	2.7
441.22824	59.4
442.22977	3.9
459.24164	1.2
471.23819	2.7
483.23712	3.1
485.21765	18.6
501.24899	62.2
502.25000	4.5
527.22784	3.9
545.23828	39.0
546.24506	3.3
561.29352	2.1
605.31116	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	605.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71927	0.2
61.59797	0.2
66.42947	0.2
67.29908	0.2
69.07436	0.3
80.08299	0.2
80.89860	0.2
106.06596	0.4
133.63449	0.2
162.05614	0.3
225.95522	0.2
278.07056	0.3
282.79449	0.2
394.12000	0.3
401.18091	0.3
415.15616	0.6
416.16534	0.5
420.16974	0.2
427.19519	0.3
428.16577	0.3
429.17111	0.8
430.18143	1.1
442.17865	0.2
443.19601	1.1
444.19171	0.3
453.17001	0.3
456.15564	0.4
457.20731	1.6
458.21448	0.4
459.17746	2.8
461.23459	0.6
469.20264	0.3
470.20999	0.8
471.18338	2.0
472.18793	0.5
473.19653	4.2
474.20248	0.6
475.21756	0.5
485.19855	2.0
485.23907	0.8
486.20825	3.5
487.21133	0.9
496.19043	0.9
499.17514	2.2
500.18097	0.3
501.23813	2.7
502.19803	0.3
503.21304	0.2
510.20511	0.3
511.21432	2.5
513.19147	2.6
514.12469	0.5
514.20013	7.8
515.20398	0.6
517.18677	0.6
518.19659	1.5
527.21057	0.3
528.21497	0.7
529.22430	100.0
530.22766	8.8
532.21094	1.7
533.21869	2.0
546.22870	0.5
561.24921	0.9
573.21423	1.5
605.24200	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	61.9
61.98819	10.3
67.45744	3.1
69.24870	2.9
71.52573	4.5
72.99300	9.6
78.95900	8.0
83.05022	6.2
88.98792	4.3
99.04580	3.4
101.06056	4.1
117.24032	3.0
121.02962	100.0
122.03342	6.2
127.94318	3.1
140.19992	3.6
147.04498	4.3
152.99573	10.2
404.44495	3.8
418.50000	3.3
463.30698	3.3
469.37073	4.0
488.11453	3.7
519.27924	7.9
529.22705	4.4
545.26050	3.8
563.26550	4.7
567.91577	4.3
605.26312	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87906	0.5
54.90047	0.5
57.03447	1.5
59.01379	100.0
61.98832	3.3
67.01907	0.8
69.03439	0.6
71.01374	2.1
73.02943	0.9
81.03450	1.0
83.01390	0.5
83.05018	1.0
85.02946	0.7
93.03433	0.5
95.05028	7.2
97.06612	1.7
99.04545	1.6
101.02425	0.6
103.20809	0.6
107.05026	0.6
108.02168	0.6
109.06590	1.4
111.04538	1.6
113.06077	0.6
119.08693	0.8
121.03001	0.6
121.06624	1.3
123.04536	10.4
123.08231	0.6
129.05591	2.2
133.06641	0.5
135.08168	0.8
136.05338	1.2
137.06085	1.9
138.09480	0.5
138.74748	0.5
147.04543	1.6
147.08165	1.2
149.06088	1.4
149.09756	1.6
150.06880	0.6
151.07602	0.7
152.01147	0.6
160.97447	0.5
163.07666	2.7
165.05574	0.5
165.09210	8.0
173.09753	0.6
177.09047	0.5
182.25815	0.6
189.09212	0.8
189.52322	0.5
191.07158	0.9
191.10762	4.9
193.08710	0.6
197.01572	0.5
197.11842	1.3
207.10251	2.8
215.10887	0.6
217.08615	0.7
217.12364	0.6
231.13872	1.2
235.09703	3.8
239.23140	0.6
253.08847	0.8
253.10831	1.9
279.16006	0.6
291.19662	1.0
305.14023	1.3
309.20734	2.4
323.14908	0.8
329.13919	1.1
347.14935	1.0
365.16046	2.0
383.18622	2.2
389.16052	3.1
407.17087	29.5
408.17389	2.3
427.21368	1.6
445.22250	2.1
489.21158	0.9
561.32806	1.2
563.25043	1.2
573.23511	1.5
605.26117	17.9
605.35504	2.6
606.26587	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	603.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
59.01379	100.0
61.98829	9.2
65.52662	0.5
69.03468	0.7
71.01388	1.3
72.99316	1.6
82.62036	0.6
83.01403	0.7
85.02962	2.5
87.00878	1.0
88.98846	0.7
93.03462	1.3
95.01427	0.5
95.05036	0.9
97.06593	0.7
98.19859	1.1
99.00887	3.2
99.04523	4.7
101.02446	12.2
107.05063	0.6
109.02969	0.8
111.04549	1.6
119.05082	0.8
121.02956	5.3
123.04549	2.1
127.04022	0.6
137.06062	0.7
147.04514	12.3
149.06108	1.7
151.04041	1.2
163.16924	0.5
165.05612	0.8
167.03586	0.7
189.05640	1.1
193.05020	2.6
194.05890	1.7
203.07220	0.7
205.54196	0.6
211.06178	1.4
219.10376	0.9
265.42624	0.5
310.05829	0.6
559.20667	0.5
571.43384	0.6
585.21259	2.3
603.23230	2.7
603.36249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26628	0.3
59.01384	2.0
61.98830	100.0
69.64388	0.4
84.52178	0.4
99.04543	0.8
99.07810	0.4
114.33060	0.4
121.02980	1.4
124.46423	0.3
131.27458	0.3
147.04523	1.2
147.60220	0.4
152.82199	0.3
172.22679	0.3
183.41129	0.3
311.33252	0.3
562.25427	0.6
604.27069	0.8
605.23016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11895	0.5
51.72458	0.4
57.03452	5.8
57.86176	0.5
59.01381	10.5
61.98827	2.5
69.03458	0.7
71.01383	8.4
71.05019	5.5
71.54118	0.6
71.54502	0.7
73.02972	0.8
81.03453	3.9
83.01375	0.7
83.05026	20.2
85.02461	0.9
85.02952	12.1
85.06583	1.0
86.02476	2.2
87.00908	0.6
88.04025	0.6
89.02447	3.6
95.05020	0.7
95.29510	0.4
96.95972	0.8
97.06594	1.0
97.66215	0.5
99.04530	1.0
101.02461	3.8
101.06082	1.8
103.04015	25.3
106.06632	1.1
107.05042	0.9
108.08180	1.2
111.04534	0.5
111.08167	0.8
112.13107	0.6
113.02467	2.6
113.06090	2.3
114.09225	2.7
116.29352	0.5
116.90159	0.5
119.03487	1.5
123.04577	0.8
125.06094	6.1
127.04010	1.3
131.07138	2.5
139.07628	1.6
141.05553	2.7
142.08687	0.8
143.03455	0.6
143.10777	6.7
144.10278	0.8
145.05077	6.6
147.02989	0.6
150.05591	1.1
151.04024	0.7
152.07193	0.6
157.08656	1.7
159.06635	0.7
160.17528	0.5
164.07153	1.5
164.10805	0.6
166.08731	0.6
169.05055	2.8
170.08220	1.3
174.11345	2.0
181.08746	0.7
184.09613	0.7
185.11830	6.2
188.09293	5.0
192.06709	1.1
194.04456	0.5
196.06143	1.2
197.11816	1.5
199.09671	0.6
212.09140	2.4
223.09758	0.7
224.12820	1.2
228.16017	1.7
236.05438	0.6
242.13901	1.5
247.08209	2.7
254.13850	1.1
256.11887	0.9
265.09253	11.6
266.13989	0.8
271.93689	0.5
332.64587	0.6
338.19754	2.9
356.20776	4.0
371.11411	1.2
375.12994	1.7
378.20132	0.6
380.20667	1.1
383.11438	0.8
398.21854	1.4
400.12381	0.7
401.12482	0.6
433.25385	0.5
442.13394	2.3
464.54443	0.6
484.14102	0.8
489.19574	0.9
490.22916	2.3
545.16742	0.8
555.23688	0.5
560.27307	0.7
604.29730	100.0
605.20520	0.7
605.30188	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	604.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58421	0.3
51.38054	0.3
57.03194	0.5
57.03443	6.3
58.00605	0.6
59.01375	9.7
59.06370	0.4
61.98820	1.3
65.22372	0.3
67.49478	0.3
69.03447	0.5
69.46745	0.8
69.47159	2.2
69.47946	0.4
71.01009	0.6
71.01376	8.7
71.05013	7.3
73.02928	1.5
73.42284	0.3
75.00864	0.6
76.45697	0.3
80.23566	0.3
81.03458	4.0
83.01398	1.1
83.05021	21.3
84.05359	0.4
85.02948	12.1
85.06592	0.7
86.02480	2.4
87.00875	0.8
89.02443	3.4
92.22527	0.4
93.03461	0.4
95.01346	0.5
95.05022	1.2
96.08186	0.7
96.96001	0.8
97.06570	0.7
99.00858	0.7
101.02429	3.9
101.06071	2.6
103.04005	25.4
107.05002	0.6
111.00866	0.5
111.04523	0.4
111.08163	0.9
113.02417	1.7
113.06072	2.3
114.09255	2.2
115.07623	0.4
116.67531	0.4
119.03486	1.3
123.04522	0.6
125.06079	5.4
125.09711	0.5
127.04003	1.1
131.07109	1.7
139.07605	1.3
141.05569	3.1
142.08713	1.7
143.10768	7.5
145.05060	5.6
154.08672	0.5
157.05005	0.4
157.08673	0.9
159.06660	1.9
159.07919	0.3
167.10815	0.5
168.10220	0.4
169.05025	3.3
169.41129	0.4
170.08212	0.9
174.11343	1.4
184.09851	0.6
185.11824	6.8
188.09274	6.2
190.06197	0.5
194.08156	0.4
197.11737	0.5
198.15152	0.5
199.09766	0.5
202.10753	0.5
210.14798	0.9
212.09253	2.7
224.12920	1.0
228.15955	1.8
236.16371	0.7
242.14006	1.5
247.08195	2.4
254.13950	0.9
265.09259	11.3
266.14008	0.7
297.07669	2.2
309.07861	1.8
309.10980	0.6
312.09991	1.6
324.10156	0.9
325.60950	0.5
327.12375	5.4
337.07095	0.9
338.19760	3.2
339.12344	4.8
341.06924	0.5
352.09406	0.6
353.06644	0.9
356.08868	0.4
356.20786	4.3
368.09219	0.5
371.11292	1.6
375.12842	1.7
380.20724	1.5
383.11368	3.7
398.21851	0.6
401.12354	0.5
489.19754	0.5
490.22849	1.7
563.20929	0.5
582.02850	0.5
604.29706	100.0
605.21387	0.6
605.30103	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	603.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
59.01378	100.0
60.01752	0.9
61.98831	7.6
71.01378	4.9
73.02937	1.7
73.09666	0.7
83.01389	1.4
83.05022	0.7
85.02952	25.8
86.03278	3.0
87.00867	1.1
87.04505	2.5
89.02420	0.9
97.06570	1.0
98.20837	1.0
99.00888	1.3
99.04516	8.2
100.30875	0.9
101.02451	3.2
101.06083	1.7
103.04010	1.7
119.03489	0.8
119.99554	0.8
121.02951	2.2
121.06628	1.1
124.05154	0.7
131.72234	0.8
147.04517	11.8
169.12271	1.9
171.10284	2.7
173.09729	1.2
173.38802	0.8
265.09146	1.1
355.24918	0.9
433.24844	1.0
465.20441	1.1
481.17990	0.9
481.24878	2.3
499.25925	3.9
499.32980	1.8
517.27618	1.8
517.33759	2.9
543.29773	2.8
559.30316	1.5
561.30524	1.0
571.24689	1.3
603.26367	15.7
604.26898	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04357	0.9
59.01382	4.0
60.99309	13.8
61.98838	1.3
69.18193	6.3
69.18616	3.2
71.01391	1.6
87.00891	3.0
88.00401	7.3
88.98808	100.0
89.02447	59.9
89.03017	1.9
97.35139	0.9
99.04523	1.7
101.02473	1.1
136.89737	1.1
277.21695	16.8
357.02344	1.0
370.59976	1.0
545.34882	1.4
603.20129	1.6
603.29132	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	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
57.03435	3.2
59.01377	100.0
60.01705	1.4
61.98838	8.6
69.16445	6.9
69.16866	6.2
71.01014	1.8
71.01380	24.6
71.05016	1.5
72.99287	4.9
73.02945	9.8
75.00847	4.3
78.17284	1.2
79.05505	1.5
81.03462	2.0
83.01365	4.2
83.04997	2.5
85.02946	25.0
85.06566	2.0
86.03951	1.3
87.00851	2.0
88.98783	1.9
89.02419	4.3
91.80250	1.3
93.03426	1.9
95.01395	2.7
95.04983	1.9
96.95969	2.1
97.06596	1.5
98.20525	5.6
99.00852	5.0
99.04514	59.4
100.04826	1.6
101.02443	12.7
103.03984	5.9
107.05019	3.5
109.06590	2.8
111.04488	5.4
113.02466	7.1
119.03458	1.5
121.02924	3.1
121.06595	1.8
123.04494	2.8
125.06046	2.5
133.06528	2.1
133.10220	1.9
135.04482	6.0
137.06035	4.3
147.04524	3.1
149.06000	3.8
151.07683	1.9
161.04559	2.2
163.07605	2.2
173.09634	3.1
177.09175	1.9
187.07542	2.1
189.09097	2.8
191.10721	2.3
193.08470	1.5
194.05664	1.4
199.11128	1.4
217.08698	1.6
217.12117	1.3
265.09164	5.6
281.15222	1.3
355.24808	2.1
371.18460	1.6
401.23431	2.3
409.36429	1.3
425.19849	1.6
427.21277	1.7
429.18915	4.8
431.20618	4.2
435.80890	1.6
437.23172	1.7
445.22375	18.8
455.24319	1.5
455.30081	3.9
461.21899	2.1
473.31165	4.2
489.21274	23.4
490.21329	1.7
499.28760	3.0
503.22110	2.0
509.24664	1.5
511.23416	2.6
513.24622	5.5
517.29822	2.3
527.25897	3.1
529.24310	3.7
541.29681	1.4
543.25818	5.1
545.26965	4.2
559.31525	73.8
560.32159	7.1
561.26880	2.6
571.25305	21.2
572.25543	1.4
585.27020	9.6
586.25677	1.4
603.26660	54.2
604.27142	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	603.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01381	36.8
61.80886	0.2
61.98834	0.7
71.01385	0.5
72.99324	0.5
80.50864	0.2
81.38057	0.3
87.00902	0.3
100.99350	0.3
101.02455	2.9
105.44756	0.3
106.38642	0.2
147.04468	0.3
147.35995	0.2
159.68552	0.2
172.26797	0.3
209.11853	0.6
229.56833	0.3
261.14911	3.2
317.21158	0.8
395.25949	0.7
408.73755	0.3
413.26962	39.6
414.27261	2.3
415.24966	1.3
455.28009	100.0
456.28326	7.8
457.25940	1.1
499.26974	0.7
517.27966	4.3
518.28320	0.3
559.29340	0.4
587.25018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.2
60.99306	16.9
61.80484	0.7
61.98841	3.7
68.18138	0.9
68.78313	0.7
69.26711	2.4
69.27147	3.6
78.59586	0.8
78.95895	1.6
85.00422	0.7
87.00879	2.1
88.00412	5.7
88.98807	100.0
89.02446	55.1
96.76811	0.8
98.20533	2.7
99.04502	1.7
109.82605	0.7
116.92844	0.8
119.41010	0.7
121.02963	2.6
148.90993	1.1
152.99602	1.0
171.10272	1.3
215.47963	0.7
221.84229	0.8
256.10889	0.7
301.33255	0.9
324.97763	0.8
603.20251	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	603.2811
Annotation	CHEBI:70546
Peak:m/z	Relative Intensity
51.06774	0.1
59.01379	100.0
60.01707	0.6
61.98830	0.2
65.28217	0.1
70.49187	0.1
72.04543	0.1
75.15636	0.1
75.34515	0.1
98.20028	0.6
99.04515	0.1
103.57661	0.1
151.23473	0.1
163.47249	0.1
171.10324	0.1
178.43872	0.1
251.74210	0.1
363.57224	0.1
364.70633	0.1
364.75293	0.1
488.03311	0.1
499.27106	0.4
517.28088	3.1
518.28741	0.3
559.29071	0.2
603.28455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16801	29.9
58.26267	27.7
59.01373	65.3
61.98818	100.0
64.99025	28.0
71.52770	27.6
71.53157	28.2
78.09053	24.9
99.04524	88.7
132.12555	26.5
545.34631	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	603.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.01381	37.7
60.01715	0.5
61.98831	14.0
65.97651	0.4
71.01367	1.0
73.02955	0.5
79.36281	0.4
81.03467	0.5
83.05013	0.7
85.02976	0.4
87.04499	0.8
97.06615	0.8
99.04523	10.7
99.05166	0.5
100.04861	2.6
101.02446	9.5
101.06091	5.7
119.05023	1.6
121.02958	100.0
122.03310	1.5
123.04532	1.1
124.29591	0.4
145.02969	1.6
147.04541	2.7
159.46074	0.4
237.95430	0.4
415.24759	0.6
459.23801	1.5
460.24213	0.5
461.24652	1.7
469.32620	0.4
479.25522	0.5
481.22202	0.6
485.29178	2.1
503.30655	0.9
517.25995	3.7
529.27448	0.4
542.28571	0.7
543.29395	4.4
545.30908	1.7
561.29700	1.7
585.24493	1.2
603.25977	62.6
604.26294	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	603.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50851	0.4
57.03424	0.3
59.01380	23.4
60.65653	0.4
61.98828	1.9
69.20415	1.4
69.20839	2.4
69.22912	0.4
75.00883	0.7
78.95905	0.5
85.02966	0.5
97.02995	0.6
98.19860	0.8
99.04517	1.1
119.05039	1.2
121.02956	100.0
122.03292	1.3
133.06561	0.5
145.02997	0.9
145.06593	0.7
147.04539	2.7
199.11197	0.6
203.07169	0.8
227.10802	4.2
248.08365	0.6
249.09187	0.6
275.10806	1.1
295.15457	1.1
303.13977	0.8
517.25946	5.3
518.26202	0.5
543.23730	4.1
561.24878	51.2
562.25189	4.3
585.24951	2.0
603.25970	87.1
604.26392	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	603.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
59.01379	25.4
61.98831	0.2
71.01379	0.3
75.00896	0.1
77.03960	0.2
81.03487	0.3
83.05026	3.5
85.02951	1.4
93.03465	0.6
95.05003	0.6
97.54321	0.1
98.20745	0.2
99.04517	1.7
108.02144	0.2
109.02980	0.3
109.06596	0.2
111.04546	0.4
113.06081	0.6
121.02955	100.0
122.03287	1.5
123.04547	0.2
125.06077	0.3
127.04019	0.2
137.06049	0.1
145.02922	0.3
145.06554	0.2
147.04475	0.6
147.08144	0.2
155.07167	0.2
157.06619	0.2
159.08040	0.2
175.07608	0.3
183.08122	0.2
184.08949	0.5
197.05945	0.2
199.11186	0.2
203.07114	0.2
211.07661	0.1
212.08412	1.5
213.09125	0.2
226.06322	0.5
227.10767	16.9
228.11115	0.5
243.06613	0.3
243.10324	0.3
265.08847	0.3
271.09650	0.2
281.11780	0.5
293.12054	0.1
305.11447	0.1
307.13464	0.1
319.13370	0.1
327.15948	0.2
333.18430	0.2
336.13416	0.2
337.14432	0.6
351.15872	0.9
362.15152	0.2
363.15878	0.4
377.17474	1.1
379.15106	0.2
391.19113	0.5
393.20941	0.1
395.18582	1.1
403.19138	0.4
409.20108	1.6
421.20071	0.3
437.19705	2.4
453.20633	0.6
463.21140	0.5
525.23102	0.2
559.23328	4.4
560.23413	0.3
567.23926	0.5
585.25018	0.6
603.26031	2.3
604.26660	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	603.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.8
55.46283	0.5
57.03454	1.0
59.01378	100.0
60.09943	0.6
61.98824	1.5
68.99811	0.9
69.03455	1.6
70.01892	0.5
71.01395	4.5
73.02946	1.1
79.05515	0.7
81.03461	2.1
83.01427	0.6
83.05031	4.5
85.02950	4.8
89.02451	0.8
90.49073	0.5
95.01408	0.5
95.05034	1.2
97.02934	0.9
97.06607	0.5
98.03700	0.7
98.20100	2.8
99.00894	0.6
99.04514	17.3
101.02406	1.5
101.06090	1.3
101.47562	0.5
102.64103	0.5
103.04002	0.8
103.25523	0.6
107.05021	3.7
109.02973	1.4
109.06590	4.6
111.04510	2.2
113.06065	0.7
121.06583	1.1
123.04510	1.1
123.08166	0.6
125.06094	1.1
127.04002	1.5
133.06610	6.5
135.04509	5.1
135.08144	1.7
137.06053	2.0
141.05580	2.1
143.05254	0.6
145.06607	0.7
147.04495	3.3
147.08116	1.2
149.06087	1.4
151.03964	0.7
153.05588	0.6
159.08150	1.4
161.06067	1.6
161.09689	1.5
163.07605	1.6
166.32353	0.5
167.07069	2.0
171.08131	1.8
173.09726	1.1
175.07617	1.1
183.08176	0.6
183.90385	0.6
185.09666	1.2
187.07666	0.6
187.11298	3.0
188.08360	0.7
189.09210	2.1
191.10739	0.8
199.07616	0.7
199.11111	0.7
200.08533	1.0
201.09088	0.8
203.10808	0.8
213.09196	4.2
215.10728	7.8
225.09050	0.7
225.12799	1.0
239.10753	0.6
245.11813	6.2
251.10834	0.6
253.12468	0.9
267.13965	0.6
271.13287	1.1
271.61420	0.6
287.12808	0.5
297.14871	1.0
323.12552	0.8
331.15768	0.5
367.15161	0.9
367.19293	0.7
379.19028	3.5
381.16971	1.5
397.19788	0.9
399.17673	0.9
407.18771	2.7
413.19366	2.1
413.26459	0.6
415.21329	0.7
425.19934	3.5
437.23169	1.4
439.21298	4.4
441.19156	4.5
443.20285	3.3
455.23975	3.0
467.20654	7.9
473.21951	1.1
475.22647	1.1
483.19885	0.8
485.21783	26.3
486.21826	1.6
489.21204	3.7
490.21692	0.6
499.23154	1.2
503.22290	1.4
517.24023	4.3
525.28076	1.1
527.22705	4.7
528.23376	0.7
529.21094	0.9
543.22021	1.1
545.27679	0.8
559.31799	3.8
561.23138	2.7
571.21619	11.8
572.22125	1.3
585.30957	0.8
600.10864	0.7
603.24371	39.1
604.24780	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	603.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87100	0.3
57.03445	1.4
59.01381	100.0
60.01704	0.6
61.98825	2.0
68.99813	0.6
69.03455	0.6
71.01385	2.7
72.99319	0.4
73.02948	0.9
81.03465	1.5
83.05030	4.0
84.76769	0.3
85.02938	2.3
89.02468	0.4
90.58157	0.4
92.41058	0.4
93.03454	0.6
95.05041	0.6
98.19958	1.0
99.00864	0.5
99.04529	6.1
101.02463	0.8
103.04019	0.5
105.07083	0.8
107.05031	3.5
109.02962	0.9
109.06616	2.0
111.04516	2.3
113.02464	0.4
113.06091	0.8
119.05050	0.6
121.06602	0.9
123.04526	0.6
125.06141	0.9
127.04013	1.0
129.07211	0.4
133.06592	4.1
135.04524	4.5
135.08159	0.7
137.06076	1.0
141.05585	3.1
144.05742	0.4
145.06596	0.6
147.04517	3.8
147.08183	1.1
149.06052	0.5
151.03975	0.5
151.07646	0.6
159.08130	0.9
161.06076	0.9
161.09708	1.6
163.07692	0.7
167.07135	2.0
171.08171	2.1
173.09695	2.2
174.06854	0.8
175.07613	0.8
177.09189	0.5
183.08127	0.5
185.09683	1.5
187.07603	1.5
187.11244	2.4
188.08412	1.4
189.09207	3.1
193.08650	0.9
197.09645	0.9
198.06793	0.7
199.07599	0.8
200.08476	0.9
203.10750	0.5
211.11115	0.5
213.09204	3.1
215.10765	4.7
225.12990	0.4
227.10640	0.5
230.09486	0.6
245.11806	5.3
251.14456	0.4
253.12367	1.8
265.09238	0.7
265.12088	0.6
271.13443	2.1
283.13297	0.4
297.14935	0.5
307.16846	0.6
319.13428	0.4
325.14633	0.8
337.18018	0.5
339.15924	0.8
339.19775	0.4
349.14536	1.2
353.17444	0.6
357.16983	1.2
357.21207	0.4
361.18173	0.6
363.19864	0.7
367.19550	0.5
379.19101	2.4
381.16946	2.2
383.14789	0.5
389.17654	1.0
395.18713	0.5
397.20093	2.3
407.18591	6.2
408.18912	0.5
413.19504	1.2
421.19659	0.5
425.19745	3.4
439.21188	4.9
441.19034	2.4
443.20593	1.4
457.22125	0.5
467.20752	8.3
468.20682	0.5
475.23062	0.5
485.21860	10.4
489.21704	0.5
499.23340	2.6
500.23560	0.5
503.03134	0.4
517.24310	6.2
527.22827	3.7
559.24738	7.2
559.32501	0.8
560.26080	0.7
561.23163	2.2
571.21661	5.5
603.24426	43.7
604.24634	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	601.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01698	0.6
61.98828	5.5
69.23116	2.5
69.23553	0.4
71.01370	0.4
74.08905	0.3
78.95913	0.4
86.08716	0.3
89.02501	0.3
98.20060	1.2
99.04527	2.4
115.17325	0.3
121.03017	0.3
141.73203	0.3
171.10263	2.2
211.13322	1.6
262.39462	0.3
267.01035	0.3
357.99106	0.3
405.28619	0.4
463.34528	0.3
541.27094	1.5
601.26263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84312	1.5
61.98831	100.0
62.71446	1.6
70.58008	1.5
118.34608	1.6
183.19214	1.4
194.36195	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	603.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39495	0.4
59.01367	1.1
60.99306	14.3
71.01374	0.6
85.02945	0.5
87.00857	0.4
88.98804	100.0
89.02438	0.5
89.99139	0.7
96.96043	0.5
97.68030	0.4
115.00362	0.4
129.01965	0.4
134.03714	0.4
136.01613	0.5
139.23224	0.3
150.03229	0.6
151.04001	1.1
163.03989	0.8
165.05606	0.4
177.01950	0.8
178.06390	0.8
192.04237	0.7
207.06593	0.8
229.55122	0.5
237.07755	0.5
247.05789	0.4
251.05505	0.5
254.65675	0.4
277.07236	0.8
281.06705	3.7
319.08432	0.5
321.06100	1.3
344.09119	0.4
351.07114	0.4
381.08176	1.8
499.14758	0.4
543.13715	1.0
603.19556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84940	7.0
58.71648	6.9
59.01379	65.2
61.98829	100.0
70.83782	18.7
77.57924	6.8
82.34235	7.6
99.04512	17.7
101.02430	34.9
121.03002	15.0
147.04491	11.3
151.55113	7.4
164.68396	7.6
166.45990	7.4
235.66913	7.7
239.90875	7.5
439.12381	7.9
501.25012	22.8
603.25311	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	601.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	66.9
60.01712	1.0
61.98822	1.1
67.01869	0.7
69.03447	1.0
69.33990	4.2
71.01375	1.4
73.75984	0.7
81.03448	0.8
83.05023	1.3
85.02938	3.2
96.57898	0.6
97.06583	0.6
98.20325	2.6
99.04518	100.0
100.04857	1.5
101.06103	0.7
108.38158	0.6
135.04529	0.8
139.07579	0.6
139.25407	0.6
140.64439	0.8
171.10222	1.3
182.71809	0.5
199.11455	0.8
211.09120	0.6
211.13426	0.9
277.15213	0.7
283.17007	1.0
289.15854	0.7
323.20169	0.9
333.18906	1.4
344.70667	0.7
349.21609	3.8
397.23853	1.0
415.24896	12.2
416.25241	0.9
433.26001	9.2
459.22958	0.7
497.29083	22.0
498.29269	1.1
515.30304	4.4
559.28003	1.1
601.30231	46.0
602.30676	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3016
Annotation	trapoxin A
Peak:m/z	Relative Intensity
58.00571	0.8
59.01381	38.9
61.98827	5.3
71.01376	4.3
71.53443	1.2
73.02962	2.3
75.75131	1.1
81.03457	1.8
83.05022	3.1
85.02967	9.0
87.04498	3.1
95.05034	1.4
96.95975	1.0
97.02953	1.7
97.06594	2.1
99.04520	42.3
100.04839	2.1
101.06084	66.9
111.04501	2.1
115.04012	1.7
121.02954	6.5
121.06596	1.6
123.04482	1.6
133.06607	1.4
141.05602	1.0
145.06572	4.3
147.04518	7.4
171.04501	2.5
171.08086	1.9
171.08730	1.4
171.10271	25.0
177.09178	1.3
183.13838	1.9
184.05147	1.1
187.07567	1.3
187.88022	1.1
189.09264	1.2
199.07617	1.2
199.11261	2.3
205.68835	1.0
211.11493	2.2
211.13385	21.9
224.50363	1.0
227.10777	1.2
243.10289	2.2
253.09122	1.3
281.15292	1.1
343.22882	1.8
374.21332	0.9
397.23956	1.2
413.23419	6.8
431.24454	2.0
433.26038	8.3
441.22720	1.4
457.22302	3.0
459.23779	2.6
515.30432	7.0
523.44507	1.0
527.26196	1.1
541.28052	19.2
542.28180	1.4
557.30377	1.7
559.29034	18.7
569.24103	3.6
583.82721	1.2
601.30573	100.0
602.30634	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	601.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43019	0.9
56.03425	0.9
59.01378	20.8
61.29683	0.9
61.98824	2.7
69.03465	1.8
69.17410	2.4
69.17826	6.9
71.01385	3.2
99.04518	100.0
135.63309	0.9
147.04507	6.6
171.10236	4.6
211.13377	1.3
237.29404	0.8
324.53745	1.0
325.21796	1.2
335.20099	1.0
413.23285	1.3
415.24893	1.7
441.22632	7.0
497.28946	2.0
541.28033	29.3
542.28381	2.1
569.25256	1.5
601.28925	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3019
Annotation	trapoxin A
Peak:m/z	Relative Intensity
53.85126	0.3
57.03465	0.6
59.01381	81.3
61.98823	0.8
69.03451	0.6
71.01383	1.3
71.05022	0.4
73.85316	0.3
81.03469	0.8
83.05032	2.6
85.02954	3.7
95.05022	0.4
99.04520	100.0
100.04873	1.0
101.02465	0.5
101.06094	1.1
107.05018	0.4
119.04999	0.4
121.02950	0.5
133.06642	0.4
135.08156	0.5
137.06137	0.4
147.04494	0.6
163.11301	0.4
171.10263	1.4
211.13426	1.1
229.16017	0.4
283.17111	1.1
288.26559	0.3
305.19162	0.7
307.17218	0.5
309.18927	0.5
323.20428	1.0
333.18655	1.3
335.20215	0.5
341.21463	0.4
349.21725	5.0
365.21252	0.4
367.22815	0.9
371.13931	0.4
403.24606	0.5
415.24878	9.0
431.25098	0.8
433.25909	11.1
434.26334	0.4
459.23886	3.2
477.25217	0.4
497.29144	20.3
498.29559	1.5
513.28406	0.4
515.23425	0.4
515.30292	5.4
541.28113	4.9
554.34229	0.4
557.27637	0.4
559.29126	4.7
601.30273	51.5
602.30750	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	601.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.2
59.01379	48.7
60.01702	0.4
61.98830	3.2
69.03449	1.5
71.01369	1.0
71.05021	0.2
81.03468	0.4
83.05024	2.3
85.02972	0.2
86.83096	0.2
87.04527	0.7
95.05019	0.2
97.06657	0.2
98.20267	1.3
99.04517	100.0
100.04842	1.1
109.06606	0.3
111.08183	0.3
112.56607	0.2
119.05056	0.5
119.71297	0.2
121.00860	0.2
126.76307	0.2
133.06601	0.4
135.08162	0.4
137.09711	0.3
139.07704	0.4
147.04521	0.2
147.08167	0.9
159.08162	0.3
161.09680	0.3
171.10254	0.3
185.09764	0.3
188.89896	0.2
191.62173	0.2
199.11279	0.2
201.12831	0.4
211.13434	0.5
229.15956	0.6
268.14551	0.2
283.17087	0.8
289.16000	0.4
291.17545	0.4
293.19232	0.3
305.19162	0.4
307.17184	0.3
307.20691	0.5
319.16983	0.3
323.20126	2.0
333.18604	1.6
335.20215	0.5
341.21222	0.3
349.21722	4.0
353.21237	0.2
367.22989	0.8
393.20599	1.0
397.23822	0.4
411.21548	0.3
415.24884	11.0
416.25113	0.9
433.25906	1.3
441.22809	0.3
459.23853	22.1
460.24011	1.8
477.24915	8.5
478.25369	0.5
497.29062	16.9
498.29333	1.7
515.30249	0.7
541.28027	20.2
542.28638	1.9
543.33405	0.2
559.29059	16.0
560.29535	1.8
601.30255	9.7
602.30603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00571	0.8
59.01381	38.9
61.98827	5.3
71.01376	4.3
71.53443	1.2
73.02962	2.3
75.75131	1.1
81.03457	1.8
83.05022	3.1
85.02967	9.0
87.04498	3.1
95.05034	1.4
96.95975	1.0
97.02953	1.7
97.06594	2.1
99.04520	42.3
100.04839	2.1
101.06084	66.9
111.04501	2.1
115.04012	1.7
121.02954	6.5
121.06596	1.6
123.04482	1.6
133.06607	1.4
141.05602	1.0
145.06572	4.3
147.04518	7.4
171.04501	2.5
171.08086	1.9
171.08730	1.4
171.10271	25.0
177.09178	1.3
183.13838	1.9
184.05147	1.1
187.07567	1.3
187.88022	1.1
189.09264	1.2
199.07617	1.2
199.11261	2.3
205.68835	1.0
211.11493	2.2
211.13385	21.9
224.50363	1.0
227.10777	1.2
243.10289	2.2
253.09122	1.3
281.15292	1.1
343.22882	1.8
374.21332	0.9
397.23956	1.2
413.23419	6.8
431.24454	2.0
433.26038	8.3
441.22720	1.4
457.22302	3.0
459.23779	2.6
515.30432	7.0
523.44507	1.0
527.26196	1.1
541.28052	19.2
542.28180	1.4
557.30377	1.7
559.29034	18.7
569.24103	3.6
583.82721	1.2
601.30573	100.0
602.30634	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	601.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64923	0.6
57.03457	2.2
59.01382	26.0
61.98821	1.5
68.99837	0.6
71.01382	4.3
71.05042	0.8
73.02950	1.3
81.03425	0.8
83.01368	0.6
83.05022	3.8
84.02153	0.5
85.02952	100.0
86.03304	0.9
86.31310	0.6
87.04526	2.4
89.02434	1.5
93.03467	2.8
93.22826	0.5
95.05009	0.8
97.02955	0.6
98.19920	1.0
98.68456	0.5
99.03912	1.0
99.04517	10.7
101.02435	1.8
101.06114	0.5
103.00330	0.6
103.04011	7.7
107.05015	2.1
109.02939	0.5
109.06605	0.8
111.04523	3.2
113.02393	0.7
113.06115	0.7
119.05006	1.2
121.02951	2.7
121.06580	1.2
122.03644	0.7
123.04484	0.6
125.06010	1.7
128.50542	0.5
129.07072	0.7
133.06567	2.2
135.04539	3.5
135.08191	1.0
137.09723	0.7
144.05804	0.5
147.08141	1.2
149.09648	1.7
151.07639	1.4
157.06555	0.8
159.08086	1.3
161.06067	1.0
161.09682	1.1
163.07581	1.2
171.07976	1.0
171.10185	1.1
173.06058	0.7
173.09706	4.4
175.07607	4.1
175.11272	0.6
177.09187	0.5
187.07523	0.8
189.05539	0.6
189.09174	0.8
191.07016	1.1
199.07506	0.6
203.10591	0.8
211.13255	1.1
213.09149	0.6
215.06952	1.1
215.10596	0.9
229.12289	0.7
247.09691	1.0
253.12157	1.3
255.10123	0.7
265.09332	6.4
265.11957	1.2
265.21442	0.9
269.11575	0.8
271.15656	0.5
279.13736	1.2
297.14865	1.0
307.10071	0.6
309.79990	0.6
319.16354	0.7
337.17047	0.6
345.18292	1.1
349.17776	0.6
353.22858	1.3
363.19330	1.0
377.23160	1.4
393.20343	1.3
411.21152	2.1
426.06119	0.7
429.22546	2.7
441.18491	0.7
443.16501	0.8
451.24533	0.7
453.22067	1.2
455.20062	1.3
459.19571	1.0
461.23511	3.7
469.25067	1.9
479.24481	8.7
487.19077	1.1
497.25461	18.1
498.25406	1.2
501.20480	2.0
513.27698	1.7
515.25311	8.0
520.52618	0.6
521.24524	1.1
523.23163	3.3
539.26538	6.3
541.24042	3.9
557.27216	5.0
558.26691	0.7
559.25464	8.8
565.23206	2.0
569.22791	1.4
583.25366	3.4
601.25342	64.5
601.46106	1.5
602.25629	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	601.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54296	0.9
59.01379	21.5
60.01712	1.5
61.01800	0.9
61.98827	2.7
62.58614	0.9
69.15547	9.4
71.01388	2.0
79.05540	2.0
83.05044	3.3
85.02946	92.1
87.04475	1.1
95.05035	2.0
97.06607	2.7
98.19863	2.4
99.04516	36.7
100.04854	8.0
101.04955	1.2
107.04982	1.0
110.03667	1.0
111.45894	0.9
121.02943	4.3
121.06570	1.0
122.03746	2.6
123.04533	3.6
125.06161	1.5
135.04524	1.1
138.69223	1.0
145.06598	2.0
145.96869	0.9
147.04541	2.3
147.08173	1.3
157.06482	1.0
159.08237	1.3
171.04532	5.2
171.10320	6.4
171.29744	0.9
172.94676	0.9
173.09790	1.1
187.47958	0.9
199.11269	2.1
211.13408	5.0
253.12325	1.4
381.59888	1.1
409.73535	1.0
411.21918	4.9
414.23764	2.2
415.19406	1.2
415.23801	4.5
429.22986	1.8
430.23776	1.2
459.23428	1.4
471.20963	1.4
471.27847	2.0
479.24551	6.1
497.25739	10.2
515.26782	28.4
516.26801	3.2
539.26898	2.9
540.27124	2.4
541.27350	12.6
557.27460	1.3
558.28131	3.4
559.26495	33.9
560.26300	1.5
565.24353	1.6
583.25250	7.6
600.29150	3.7
601.29211	100.0
602.29718	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	601.2654
Annotation	Plantagiolide A
Peak:m/z	Relative Intensity
57.03444	0.8
59.01380	16.1
61.98811	0.6
71.01376	1.1
71.54050	0.8
75.83490	0.5
79.05528	1.4
81.03423	0.5
83.05018	1.4
85.02947	34.4
87.04510	42.0
91.29362	0.5
95.05009	1.1
96.64446	0.6
97.02970	0.5
97.06585	1.2
98.00076	0.7
98.20225	0.5
99.04516	4.9
103.03996	0.8
105.07090	1.0
107.04985	1.0
109.06570	0.8
111.04513	1.2
122.03703	0.9
123.04514	1.6
123.63864	0.5
125.06052	0.9
131.05006	1.4
133.06595	3.9
133.10225	0.5
135.04550	1.1
135.08147	0.8
145.06549	0.6
147.08131	1.6
148.05333	0.7
149.06017	1.1
149.09663	0.6
151.07536	0.7
155.94200	0.6
159.08131	4.5
161.06085	0.6
161.09673	1.3
163.07602	0.6
173.09685	1.6
175.07620	0.9
187.11276	3.1
189.09210	0.7
201.12761	0.6
213.09045	0.7
271.13638	0.6
335.20227	0.8
339.19601	0.6
357.20624	0.8
383.22241	0.8
401.18158	1.0
401.23306	16.3
402.23718	1.0
411.21835	1.4
427.21423	3.2
429.22903	1.1
435.23874	0.6
445.22287	20.3
446.22562	1.4
453.26810	0.7
469.22507	0.8
471.27231	1.8
473.21997	0.7
479.24292	1.8
487.23422	14.4
488.23352	1.4
497.26080	3.1
501.21350	0.9
514.59772	0.6
515.26703	10.6
516.26752	0.6
530.10370	0.6
531.22852	0.5
541.24609	1.2
557.27606	9.9
558.28247	0.7
559.25232	7.2
565.24567	0.7
583.25214	2.5
601.26459	100.0
602.26910	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	601.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	26.3
59.82176	0.6
61.98818	2.1
69.18636	0.6
70.38541	2.0
71.01373	1.9
79.05525	0.8
83.05035	3.5
85.02950	100.0
86.03296	1.3
87.04535	1.3
95.05032	1.5
97.06585	1.2
98.19923	0.7
99.04520	30.8
100.04876	0.9
101.02441	0.8
101.06088	0.7
103.03971	0.7
105.07095	0.7
107.05045	1.4
121.02959	2.1
121.06604	0.8
122.03727	2.5
123.04521	3.0
125.06070	1.3
133.06586	0.9
135.04425	0.7
135.08139	0.8
142.51463	0.6
145.10181	0.7
147.04510	1.8
147.08168	1.3
148.48146	0.7
161.09802	1.0
165.09225	0.6
171.04492	1.6
171.10280	2.9
173.09721	1.7
187.11391	0.8
194.16956	0.7
199.11327	0.9
211.11476	0.7
211.13231	3.2
229.01083	0.7
229.12286	0.8
279.13885	1.1
297.15076	1.5
357.20663	0.8
383.18689	0.8
393.20831	0.9
407.02621	0.7
411.21674	5.3
415.25101	3.5
429.22849	2.3
433.25735	3.0
455.20441	1.3
461.23465	1.1
469.25458	0.9
471.20279	0.7
471.27493	1.9
473.22083	1.0
479.24396	5.2
480.24966	0.8
497.24725	8.0
501.21317	1.1
513.21478	0.8
515.26630	31.3
516.27130	2.7
539.26654	1.1
541.24164	3.8
557.27069	2.6
559.25409	16.8
560.26233	1.0
565.24573	1.8
583.25397	5.8
584.25928	0.9
601.26764	18.0
602.27069	1.3
622.51764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	6.9
59.01378	43.1
60.10283	0.9
60.83130	0.8
61.98823	4.7
62.99137	1.0
63.37472	0.9
65.26724	1.0
66.11646	0.9
68.99818	1.3
69.03436	3.0
71.01380	11.9
71.05039	1.2
72.99287	2.2
73.02940	4.3
81.03439	5.3
83.01408	1.4
83.05019	11.4
84.02148	2.2
85.02950	42.5
85.03474	2.1
86.03270	1.5
87.04498	3.3
88.98791	3.3
89.02441	2.7
93.03431	1.7
93.07085	1.8
95.05005	2.5
96.96030	1.7
97.02983	2.5
97.06532	2.5
98.20291	6.5
99.00884	1.9
99.04517	65.7
101.02448	6.3
101.06039	1.2
103.04008	12.7
103.05471	1.0
105.07083	2.7
107.05025	14.9
109.02961	6.4
109.06571	11.1
111.04517	4.3
113.02426	2.6
113.06103	1.2
115.96730	1.0
119.03484	1.2
121.02982	1.9
121.06573	4.8
123.04521	4.3
123.08133	3.0
125.02413	1.5
125.06063	3.1
126.03204	1.6
127.04008	2.4
133.06609	8.5
135.04539	13.5
135.08156	3.6
136.05266	1.3
137.06082	5.4
141.05577	5.0
145.06516	1.3
147.04460	1.9
147.08130	3.6
149.06061	4.0
149.09726	1.3
151.07602	2.9
153.05548	1.0
155.07167	1.5
157.06596	1.8
159.08096	1.5
161.06079	1.6
161.09747	3.0
163.07658	1.9
163.11156	1.1
164.04839	1.2
167.07111	7.3
171.08064	1.9
172.05327	0.9
173.09662	4.0
175.07611	3.5
177.05536	1.6
177.09210	1.1
185.09654	1.2
187.07616	2.3
187.11235	3.1
189.05592	2.9
189.09160	4.2
191.07106	1.1
191.10733	1.3
195.08150	1.4
197.09657	1.1
197.13362	1.0
199.11226	1.1
201.09161	2.1
203.10716	1.4
211.13304	1.8
213.09230	2.1
215.07202	1.3
215.10681	2.0
225.09146	1.4
227.10875	2.3
229.08676	1.1
229.10738	3.4
237.12712	1.1
253.12404	2.0
255.10254	1.1
255.14067	1.4
262.12094	1.4
265.09244	12.3
278.63834	1.0
279.13773	1.2
281.11819	2.1
287.12903	1.2
295.13287	1.2
297.15210	1.7
307.10242	1.7
307.17651	1.0
313.13544	2.0
316.02081	0.9
325.14294	2.7
325.17926	1.5
335.16388	1.1
337.18002	2.4
339.16153	1.4
341.13834	1.9
343.15427	1.6
353.17407	1.5
353.23425	1.3
377.23557	2.2
379.19193	2.3
397.20245	6.5
399.18027	2.7
413.19403	1.8
415.21268	1.8
425.19827	7.0
431.24612	5.8
443.20767	36.3
444.21155	2.4
457.22369	1.4
461.21738	17.2
462.21802	1.7
473.25345	1.8
475.23279	3.3
487.19568	3.8
497.25266	4.4
501.21597	4.5
515.26044	5.6
519.22021	7.3
525.25031	6.1
539.26184	2.2
541.24799	2.8
557.27747	13.4
559.24988	8.3
560.25995	1.0
569.23645	12.6
570.23895	1.2
601.25238	100.0
601.33020	12.1
602.26257	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	601.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	57.0
61.98816	4.0
66.38635	0.8
68.83453	0.8
69.31371	0.8
71.01392	4.3
75.00838	0.8
81.03437	2.4
83.05001	2.6
85.02948	100.0
86.03260	1.6
90.09299	0.9
95.04997	1.0
99.04513	13.3
101.02425	1.9
101.06069	1.3
101.27146	0.9
103.04005	0.9
107.05020	1.1
107.25970	0.8
111.04514	1.1
112.21706	0.8
121.02892	3.2
121.06541	0.9
122.03690	0.9
125.06049	2.0
130.04211	0.8
133.06544	3.3
135.04393	1.0
135.08051	1.1
137.06064	0.9
140.08521	0.9
147.04482	1.1
147.08180	1.1
148.46094	0.8
149.09702	2.0
159.08147	0.8
163.07596	1.0
167.06476	0.9
171.10257	4.6
173.09727	5.1
175.07603	4.5
176.27005	0.8
185.09752	1.0
191.10722	1.6
199.07526	1.0
211.13237	4.6
245.11688	1.6
253.12291	1.7
287.16391	2.0
297.14999	1.4
313.17850	2.4
337.17645	1.0
345.18387	1.6
391.87534	0.9
403.24637	1.3
411.21793	2.2
429.22552	3.9
431.24469	11.8
453.22702	1.4
461.23178	4.9
469.25494	1.9
473.25482	10.9
479.24326	10.0
480.23862	1.0
497.25369	20.9
498.25378	2.0
501.20905	3.1
515.26947	11.6
521.25385	1.6
539.26367	6.5
557.26923	2.5
559.25867	2.7
569.24255	1.0
574.53619	0.9
601.26099	45.1
602.26422	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	601.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22037	1.2
56.37449	1.1
57.03425	1.9
57.27611	1.0
59.01381	29.4
61.98818	3.5
68.13645	1.2
71.01360	4.0
72.41265	1.1
72.99297	1.4
73.02964	1.3
81.03428	2.5
83.05046	5.3
85.02954	100.0
86.03296	2.3
93.03446	1.3
97.02933	2.2
98.20616	2.1
99.00840	2.1
99.04518	48.7
101.02422	1.8
101.06094	1.2
103.04004	2.1
105.07102	1.9
107.05020	4.1
109.02961	2.6
109.06586	2.6
110.79523	1.1
111.04512	2.4
121.02906	3.5
121.06586	1.7
123.04536	2.4
125.06060	2.8
127.04020	2.5
131.05009	1.2
133.06587	9.4
135.04552	5.7
135.08098	1.3
137.06026	1.6
141.05566	1.2
145.06543	1.1
147.08125	1.6
147.11670	1.1
148.96918	1.0
149.06047	2.9
149.09659	2.1
151.04012	1.2
153.05545	1.2
157.06502	1.4
159.08127	2.7
160.15390	1.0
161.09637	2.7
163.07491	1.1
167.07085	4.3
170.07205	1.2
171.08099	1.4
171.10185	5.0
173.09711	5.2
175.03970	1.4
175.07588	4.4
186.53754	1.2
187.11238	2.6
188.08371	1.8
189.09103	4.5
193.04996	1.4
201.09178	1.2
211.13303	4.6
213.09363	2.1
215.10730	2.9
223.07607	1.2
229.51501	1.4
237.09268	1.5
245.11732	2.7
246.08537	1.2
255.13594	1.5
259.23886	1.1
279.13919	1.8
297.14899	3.0
337.17761	1.9
341.13678	1.4
357.16946	1.7
363.19772	2.0
367.18878	1.4
379.19061	1.7
381.16605	1.3
397.19907	2.6
399.17792	2.1
411.21860	3.2
413.19107	1.5
425.19540	4.1
429.22650	2.7
431.24585	8.4
435.21753	1.2
443.20721	11.5
455.24380	1.6
457.22141	1.4
461.22894	5.0
469.25830	1.9
473.25476	12.9
475.23373	2.1
477.20963	2.0
479.24380	11.6
480.24359	1.6
497.25400	18.1
498.25989	1.6
515.27039	11.5
516.25281	1.0
519.22144	3.5
525.24829	3.9
539.26489	5.4
541.24994	1.6
557.27545	12.1
559.26025	3.2
569.22894	1.3
583.25433	2.6
601.26312	90.1
602.26532	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	601.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55086	0.6
52.97694	0.7
54.41491	0.7
57.03438	1.7
58.00594	0.8
59.01380	17.5
71.01380	7.4
71.52807	0.9
72.99302	1.1
85.02457	1.0
85.02950	10.9
87.00878	2.2
89.02445	10.9
95.01354	0.7
101.02441	6.3
103.04008	16.6
113.02440	4.4
116.10719	0.6
119.03542	3.8
131.03404	0.9
153.26051	0.6
167.56650	0.9
179.05708	0.6
265.09274	100.0
266.09647	2.4
279.10730	2.0
355.06744	0.8
432.92694	0.8
564.06226	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19655	1.3
61.98833	100.0
65.38850	1.4
71.14743	3.1
82.90872	1.4
162.64087	1.4
167.47513	1.4
314.22873	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.7
58.00593	1.0
59.01379	19.4
61.81731	0.5
69.80379	2.0
71.01379	7.9
72.99297	0.6
78.95905	1.0
83.01384	0.7
85.02950	11.1
87.42335	0.5
89.01936	1.0
89.02447	12.4
95.01398	0.7
96.96986	1.3
101.02445	8.8
103.04016	18.7
113.02470	3.7
119.03517	4.9
125.02545	0.5
143.03557	0.7
151.43234	0.5
179.05528	0.8
202.85054	0.6
259.02243	0.8
265.09280	100.0
266.09689	2.5
286.08063	0.7
537.12958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61888	0.1
59.01376	1.5
61.98829	100.0
71.01391	0.6
71.53927	0.2
73.02939	0.3
78.63892	0.2
85.02965	0.4
89.02435	0.4
96.96017	0.7
101.02439	0.2
108.02200	0.6
109.03006	0.3
116.92852	0.2
132.81653	0.2
150.03169	0.2
151.03737	0.2
152.01152	0.2
165.05508	0.3
289.11194	0.4
412.65207	0.2
451.41980	0.2
498.02823	0.2
600.23859	0.9
601.25342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03323	0.3
55.01886	0.6
57.03452	1.1
59.01380	100.0
60.01712	0.7
61.98836	2.9
69.03483	0.5
71.01006	0.7
71.01380	7.6
71.54580	0.5
72.99319	0.7
73.02937	2.0
81.03442	0.4
83.01387	0.7
83.05029	0.9
84.65421	0.4
85.02955	5.1
87.00902	0.5
87.04526	1.2
89.02447	1.0
95.01392	0.4
98.20274	0.4
99.00857	1.9
99.04518	28.1
100.04874	0.6
101.02455	4.7
103.04027	1.1
106.16859	0.4
113.02473	2.2
119.03535	0.4
121.02928	0.4
121.06593	0.4
125.02456	0.4
129.82733	0.4
133.06593	0.4
137.06053	0.7
143.03577	0.6
147.08124	0.6
160.47989	0.3
161.04575	2.1
165.05659	0.4
171.10266	1.1
201.09158	0.5
209.11823	1.5
251.14478	0.4
265.09320	1.0
271.20596	0.4
333.37222	0.4
333.41293	0.3
335.25891	1.8
365.21463	0.6
383.22729	0.5
411.22684	0.4
413.23294	0.8
419.24554	0.6
431.24072	0.5
439.21252	0.6
465.26434	1.8
473.28864	1.2
479.30099	3.2
483.27319	1.0
495.27625	1.7
497.31223	14.8
498.31491	0.9
501.25537	0.4
513.28571	3.5
539.32404	9.4
540.33154	0.8
555.26440	0.5
557.27557	13.2
558.27863	1.1
581.28265	0.6
599.28809	23.0
600.29395	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	599.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03448	1.5
59.01380	100.0
60.01721	0.6
61.98835	5.0
69.40499	0.7
71.01382	12.7
71.53735	1.0
72.99298	0.9
73.02940	5.3
83.01415	2.3
83.05024	1.3
85.02955	14.4
87.00877	1.2
87.04530	1.3
89.02457	3.4
95.01388	1.1
97.02995	0.8
99.00914	2.4
99.04517	17.9
100.70990	0.6
101.02441	8.8
101.06124	1.1
103.04027	4.6
103.05575	0.7
111.04549	1.1
113.02454	6.6
119.03542	1.3
121.02983	2.4
123.94482	0.7
125.02466	0.8
142.13905	0.6
143.03450	0.8
147.04538	0.8
160.44525	0.6
161.04570	2.4
163.03993	0.9
171.10274	25.5
173.09729	0.8
173.19374	0.7
183.79376	0.7
191.01932	0.6
209.11818	20.6
230.71614	0.6
253.09351	1.3
265.09418	2.8
283.83954	0.7
303.16064	1.2
307.10535	1.7
335.26154	2.2
351.21759	2.2
439.20929	1.0
479.30072	7.0
497.31210	24.7
497.38293	1.3
498.31830	1.4
513.24371	1.0
513.28448	1.9
521.26031	1.0
539.26648	1.3
539.32471	26.4
540.32819	1.2
555.26575	5.5
557.27618	16.2
558.27850	1.5
567.26129	1.3
581.28607	2.2
599.31201	14.3
614.39447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54461	0.7
52.16184	0.7
54.60916	0.8
59.01381	100.0
61.98830	4.9
71.52593	0.9
76.44185	0.8
78.95901	0.9
80.11112	0.8
85.02958	1.2
87.04514	2.4
118.97849	0.7
153.41936	1.0
291.23038	1.0
539.30096	15.7
540.30505	2.1
599.41095	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45228	0.3
57.57568	0.3
59.01378	5.0
61.98821	1.8
62.37854	0.3
67.01872	0.4
71.01376	0.8
74.20907	0.3
74.60776	0.3
81.45808	0.4
83.05013	0.8
85.02949	88.3
86.03285	1.1
87.00937	0.3
91.82541	0.4
97.06606	1.0
97.66469	0.4
98.20680	0.7
99.04517	5.4
101.06097	0.4
118.30573	0.3
121.02962	0.7
123.04517	1.6
125.06105	1.1
145.06516	0.8
156.01201	0.4
171.10234	0.6
185.29553	0.4
199.11293	2.3
215.10718	0.8
225.09131	1.0
238.05501	0.4
243.10258	3.0
286.08841	0.4
323.64590	0.3
378.31284	0.5
413.23434	0.5
431.24658	0.5
439.21231	1.1
475.23419	2.8
490.62888	0.3
525.24915	100.0
526.25226	7.8
526.33282	0.3
539.26495	3.5
557.27429	3.3
599.28644	10.0
600.28796	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27555	0.6
57.03441	0.8
59.01379	15.0
61.98836	4.1
67.01885	0.6
69.03441	0.7
71.01385	1.0
72.82182	0.5
73.02965	0.7
74.73809	0.4
81.03442	0.6
83.05022	1.1
85.02470	0.5
85.02945	13.4
95.05016	1.4
97.06613	0.7
98.19909	1.4
99.04517	47.4
111.08102	0.7
113.06035	0.4
119.05037	0.6
119.91078	0.5
121.06557	1.0
123.04520	13.2
135.98279	0.5
145.06554	1.6
146.12672	0.5
147.08115	1.2
149.06073	0.5
163.07709	1.1
173.09644	0.7
175.11234	1.4
177.12804	0.8
199.11243	2.2
201.12903	0.7
203.14458	1.2
217.12270	3.1
227.10667	0.7
243.10205	0.8
245.11830	0.7
259.13275	1.0
307.19318	0.8
383.22061	1.7
389.23294	0.9
413.23294	3.2
431.24350	8.2
439.21335	1.5
457.22305	4.3
458.22800	0.7
513.28180	0.6
525.24835	3.2
539.26453	8.8
557.27521	63.3
558.27747	5.1
594.48749	0.5
599.28601	100.0
600.28809	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	599.286
Annotation	Ardisiaquinone I
Peak:m/z	Relative Intensity
59.01381	11.8
69.41016	0.4
71.01361	0.7
75.61078	0.4
81.03491	0.4
83.05022	1.4
97.02965	0.4
97.06572	0.8
99.04521	46.8
100.04839	0.9
105.25480	0.4
123.04529	1.5
125.06071	0.7
145.06587	2.1
147.08177	0.7
161.06027	0.8
161.69562	0.4
171.08096	0.7
180.97643	0.4
199.11269	1.5
207.04649	0.4
217.12315	0.7
225.09113	0.7
241.14357	0.7
281.15466	0.8
295.15463	1.2
338.40552	0.5
365.21353	0.5
413.23349	7.5
429.22778	1.2
431.24365	2.2
439.21399	1.4
450.89362	0.5
457.22141	2.6
495.27594	0.6
513.28448	0.7
521.25598	1.2
539.26556	14.3
540.26367	0.5
557.27539	29.5
558.27832	2.2
599.28625	100.0
600.28986	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43611	0.2
57.03424	0.3
59.01380	12.8
61.98812	0.5
71.01379	0.8
80.82612	0.3
83.05019	1.0
85.02945	1.4
87.04549	0.3
96.96015	0.3
97.06589	0.7
98.20657	0.7
99.04518	58.8
100.04839	0.9
111.08128	0.3
121.06585	0.4
125.06074	0.4
140.16599	0.3
145.06593	3.3
147.08170	0.6
151.11270	0.3
161.06125	0.7
171.08150	1.2
175.11279	0.4
185.09669	0.5
187.11266	0.3
199.11307	1.7
201.12822	0.4
227.10867	0.5
229.54001	0.3
261.11404	0.3
274.91702	0.3
281.15497	0.9
299.16580	0.5
347.20087	1.1
365.21182	0.7
392.89859	0.3
413.23303	12.3
414.23532	0.5
431.24408	2.5
439.21274	0.9
457.22321	3.7
475.22723	0.3
476.05020	0.3
521.25684	0.6
539.26514	7.4
540.26544	0.4
555.25293	0.5
557.27515	20.5
558.28046	1.8
599.28601	100.0
600.28918	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	599.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03165	1.3
53.16544	1.4
55.01857	3.7
59.01380	64.9
61.98823	11.9
69.03455	1.6
70.83983	2.6
71.01384	45.6
72.99291	4.2
73.02946	8.4
75.63611	1.4
83.01382	6.6
84.32014	1.4
85.02950	18.6
87.00858	5.0
89.02440	21.9
95.01367	4.7
96.96009	7.0
97.02947	1.9
99.00867	2.5
101.02444	27.6
111.00895	2.5
113.02452	19.3
116.92870	3.6
117.51400	1.5
119.03523	7.2
121.02961	3.0
124.07550	1.2
125.02463	7.5
129.01913	2.7
134.03754	1.6
135.03036	1.7
143.03546	3.0
147.04549	1.2
150.03149	2.2
151.04001	2.0
152.01128	1.4
153.01878	4.6
159.02992	1.6
161.04529	5.1
165.05591	2.5
166.02641	2.2
167.03406	1.8
175.92966	1.3
181.05019	3.6
189.14920	6.7
193.05103	3.3
195.06583	3.0
202.98482	1.3
209.04558	1.8
333.19095	4.2
351.16595	1.7
351.20306	10.0
419.22775	2.2
447.22299	2.5
495.24457	100.0
496.24811	5.2
513.25494	57.6
514.25916	2.5
555.26636	27.3
556.27094	1.8
599.24573	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	599.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53020	0.6
59.01380	32.4
60.51319	0.6
60.72575	0.6
61.98817	3.0
69.03448	0.6
69.46377	4.5
71.01385	5.4
72.99325	0.7
73.02956	1.5
73.48405	0.6
79.05527	1.4
83.01384	1.2
83.05011	4.2
85.02950	100.0
86.03283	0.7
87.00926	0.6
87.04525	1.3
88.98802	0.8
89.02451	1.2
95.05042	1.4
97.02956	0.9
97.06583	2.2
99.00901	4.7
99.04518	78.0
100.04851	1.2
101.02434	2.3
101.06110	0.7
103.04015	2.5
107.99347	0.7
109.06588	1.4
111.04527	0.9
119.08646	0.8
121.02988	0.7
121.06599	1.7
123.04552	1.1
125.09708	0.6
125.51867	0.6
129.07091	0.8
133.06560	2.8
135.08105	1.3
139.03973	0.7
145.06517	0.8
147.04581	0.8
147.08212	3.6
149.09685	0.9
157.06619	0.9
159.08167	1.6
161.09668	1.5
163.07674	0.8
169.10170	0.9
171.08122	1.8
171.10291	5.0
172.05226	0.7
173.09731	3.6
175.07608	1.5
175.11221	1.5
177.09177	0.7
183.08139	1.0
185.09706	1.5
187.07695	0.8
187.11221	2.5
189.09174	0.7
197.09663	1.1
199.07568	1.7
199.11253	0.7
200.08405	3.6
201.09212	2.9
201.12830	0.9
207.10182	0.9
209.11810	5.6
211.07755	0.8
211.11322	0.8
212.08365	2.6
213.09085	2.6
213.12823	0.9
215.10809	0.7
217.12219	1.1
224.02817	0.7
225.09068	1.1
227.10719	1.0
229.12198	1.2
234.32477	0.7
239.14427	0.7
241.12210	1.2
251.14241	0.9
255.13760	1.9
263.10617	1.0
265.09381	2.9
265.11765	0.9
267.10147	1.5
269.15512	0.9
274.13144	0.6
281.15384	1.0
291.13727	0.7
291.17395	0.9
295.15582	3.1
299.16418	0.8
307.10443	0.8
307.13324	0.9
309.18701	0.8
323.19885	0.7
325.14355	1.4
335.16180	1.1
335.19952	0.8
337.17767	0.8
343.15475	1.6
345.20480	0.9
357.20468	1.5
365.17389	2.4
379.18909	1.1
383.22107	0.9
391.19000	1.1
409.19971	2.5
413.23233	1.4
415.24857	1.3
427.24774	0.8
431.24316	2.0
439.20096	3.2
439.25684	1.3
441.18219	1.6
441.23419	1.4
451.20624	1.3
455.24402	1.1
457.26099	1.8
459.24063	6.0
468.25018	0.7
469.26041	7.2
481.22202	1.8
495.23526	22.1
496.23846	2.3
499.22479	0.8
501.24719	3.5
511.26605	1.4
513.24438	35.4
514.24890	2.0
521.25330	1.4
523.23688	0.9
537.24896	10.1
539.22968	2.7
540.23285	1.0
541.24261	1.3
555.25940	82.8
556.26190	7.4
557.27637	67.9
558.28040	6.2
567.23901	0.8
581.23108	6.8
599.24371	56.8
600.24927	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.25
Annotation	Swietemahonin G
Peak:m/z	Relative Intensity
51.53006	0.5
59.01383	21.9
61.98835	3.0
70.53868	0.9
70.54230	1.6
71.01388	2.3
79.05511	0.6
83.01389	0.6
83.05052	1.3
85.02956	93.4
87.04542	0.9
88.98809	2.6
89.02444	2.1
91.84370	0.5
95.05019	0.8
97.02974	0.6
97.06581	1.4
99.04520	9.1
101.02432	1.3
103.04031	2.7
106.69905	0.5
107.05044	0.7
113.02448	1.1
121.02973	1.6
121.06596	1.4
133.06601	1.3
135.08212	0.6
145.10190	0.9
147.08165	1.4
153.09254	0.6
158.07352	0.9
159.08163	0.8
161.09680	1.0
171.08136	1.0
171.10291	3.9
173.09697	2.5
175.07578	0.6
175.11209	1.1
185.06104	0.6
185.09715	0.9
186.10335	0.7
187.11205	1.1
198.06967	0.6
199.07666	1.3
200.08330	2.9
201.09186	0.9
201.11098	0.7
209.11829	3.5
211.07751	1.1
211.11217	0.6
212.08449	0.9
213.09152	1.8
213.12596	0.6
214.09747	0.7
227.10638	1.3
227.14268	0.8
255.13773	1.7
265.09250	1.8
267.10327	1.0
295.15494	3.1
331.13193	1.0
337.16983	0.6
345.14917	0.9
365.17493	1.9
379.19046	0.7
394.17947	0.6
409.19882	1.8
415.24844	1.2
441.22516	1.5
451.25443	0.7
459.23914	6.5
469.25916	6.2
470.25812	0.6
477.22781	1.1
495.23868	25.3
496.24091	2.0
501.25177	3.6
503.61792	0.6
513.24902	37.0
514.24939	2.3
528.52710	0.7
537.24939	9.8
538.25128	0.8
539.22607	2.4
555.25977	100.0
556.19751	0.6
556.26318	7.0
557.26556	5.1
581.23633	7.1
599.24420	52.4
600.24866	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	598.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
58.02974	12.9
59.01378	22.3
61.13923	0.8
61.98824	8.0
66.03461	1.1
69.84534	0.9
71.01362	2.4
72.97528	2.0
74.00689	1.2
74.02477	27.5
81.02206	1.2
81.04562	1.7
82.02985	4.9
83.01373	1.1
83.05003	1.8
84.04530	1.5
85.02955	16.9
86.02081	0.9
86.02486	11.0
86.06118	1.4
87.05656	4.2
89.14074	0.9
93.03416	0.8
95.33100	0.7
96.04521	1.2
96.23270	0.8
96.95962	1.4
97.04052	2.9
98.20049	3.9
98.20744	1.7
99.00875	1.2
99.04539	17.5
99.05631	25.3
100.00398	2.2
100.04819	1.5
101.02421	1.4
101.06107	4.0
101.07195	3.8
102.05579	3.3
103.04016	1.4
107.06160	1.5
109.04073	4.1
109.06580	1.3
109.07679	1.5
111.05610	2.4
112.04035	3.4
119.08549	1.0
121.02946	8.7
122.03278	1.9
123.05604	1.7
124.04010	1.0
124.07690	1.1
125.03538	3.5
127.05104	3.7
128.03539	64.3
129.03879	1.2
135.04495	3.2
135.05621	7.9
137.07175	1.5
141.06657	3.2
143.04619	86.6
144.04932	1.6
145.06158	3.7
146.04575	8.4
153.06697	4.6
164.04613	0.8
165.12823	1.2
166.09824	3.4
167.04568	3.6
167.05818	0.7
167.08235	5.6
169.06108	1.9
170.03278	1.5
171.04077	1.6
171.10228	2.8
179.04616	20.3
181.06212	2.1
185.05644	2.6
192.07785	1.4
192.27794	0.8
197.05707	3.9
199.07422	0.8
209.11815	2.8
210.08836	18.4
228.09802	2.1
236.06425	1.0
254.07806	46.7
256.11334	2.2
272.08868	100.0
273.09036	2.2
291.19595	2.7
304.06155	1.0
325.18362	4.8
367.16818	0.8
375.24203	0.9
430.23648	1.0
439.21075	1.3
469.23557	4.6
475.79227	1.0
495.24106	2.7
513.25305	1.7
515.22797	2.0
516.23114	2.3
537.25116	1.0
538.28577	1.3
555.26196	6.8
556.26788	3.2
557.27789	9.0
580.26758	10.0
598.27728	60.4
599.25494	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	598.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21572	1.5
57.03431	2.3
59.01379	29.0
61.98831	100.0
62.98289	1.5
65.65937	1.3
69.41530	11.9
71.01388	11.9
73.02949	11.8
74.00689	3.1
83.01392	4.5
85.02946	13.4
87.04498	2.1
89.02440	4.3
96.96030	8.6
101.02446	8.0
103.04006	20.7
108.44833	1.5
113.02448	4.7
116.01748	10.6
119.03465	1.7
120.05360	1.5
123.04588	1.6
125.02453	1.8
133.89610	1.8
135.04518	1.4
143.22017	1.8
150.03178	5.1
156.47241	1.5
165.05565	7.4
166.05907	1.8
178.01770	6.4
179.07069	3.6
180.04167	1.8
180.94199	1.3
247.08188	2.5
265.09314	12.1
286.08481	1.6
287.18729	1.6
289.11066	6.8
295.20270	1.5
307.10513	11.7
370.10410	1.9
376.18387	2.2
384.11600	2.2
439.08939	1.5
535.27515	77.1
536.27338	3.5
538.23718	7.0
554.31689	2.5
598.18817	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	597.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91191	0.3
57.03445	0.7
57.55012	0.3
58.02959	0.3
59.01379	6.8
60.99296	0.6
61.98830	8.3
63.52923	0.3
69.03462	0.5
71.01378	3.1
72.99299	0.5
73.02943	1.5
74.99119	0.3
75.00880	0.3
79.81058	0.3
81.03459	10.8
83.01392	0.3
83.05026	32.2
85.02957	1.7
87.00846	0.7
88.98817	3.5
89.02435	1.2
95.01411	0.4
96.96015	3.4
98.20096	1.3
99.00887	0.6
99.04512	0.8
100.07672	4.3
101.02431	1.4
103.04005	1.4
108.02204	0.7
108.04587	0.4
109.02946	0.6
113.02445	1.2
119.03523	0.7
119.05061	0.3
120.03748	0.3
120.99606	0.6
123.04506	0.4
125.02461	0.9
126.05621	0.9
127.04024	0.6
129.01932	0.5
134.03723	0.5
135.04597	0.5
136.01663	0.4
137.02426	0.4
143.08249	0.2
147.03009	0.3
147.04523	0.5
150.03203	0.3
152.01126	0.7
153.01953	0.5
160.91579	0.3
163.00174	0.3
164.04799	0.3
165.05574	0.5
168.00674	0.5
168.51089	0.3
182.15512	0.4
191.01881	0.4
191.07228	0.4
192.04245	0.3
193.05057	0.4
199.04018	0.3
199.18153	6.9
200.42120	0.3
207.14975	0.4
208.03799	0.4
223.06104	0.6
224.06712	0.3
224.17702	0.5
225.16072	7.9
226.14397	0.5
226.16505	0.5
227.03438	0.4
243.17111	16.6
244.17355	0.7
255.02991	0.6
265.07071	2.3
265.09366	0.3
269.15009	1.3
270.05338	0.6
271.06216	0.4
284.03210	0.5
285.04202	0.4
285.07657	2.3
286.04642	0.6
286.07913	0.6
300.10019	1.7
301.10645	0.4
309.21796	0.9
331.11984	1.7
335.19806	0.4
338.01999	0.4
353.20837	6.4
354.20996	0.4
451.32846	2.6
452.31509	0.4
469.33914	13.6
470.33923	0.8
477.30652	0.5
489.11252	0.4
490.10550	0.8
490.22397	0.3
493.27994	0.5
495.32016	0.7
507.13004	0.3
534.25946	1.0
535.27728	0.6
535.38757	0.5
537.33453	0.3
553.29333	0.5
579.21509	0.4
579.37634	2.9
580.38928	0.3
597.27124	3.3
597.38684	100.0
598.38953	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	597.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01380	6.2
61.98824	0.5
71.01389	0.3
71.53745	0.2
72.19851	0.2
83.05021	0.7
85.02950	0.4
98.23003	0.2
99.04517	100.0
100.04842	1.3
101.06081	0.2
107.04999	0.2
109.06634	0.7
111.04531	0.2
121.02974	0.4
135.04546	0.2
137.06131	0.2
143.12308	0.1
145.06580	0.2
183.67540	0.1
196.81934	0.2
211.13347	0.2
321.80994	0.2
437.19910	0.3
455.20770	0.3
471.20245	0.3
497.21826	1.0
515.22827	13.6
516.23468	0.9
555.25958	0.3
597.27570	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
57.03429	1.4
59.01380	29.9
61.98828	8.8
65.92928	1.0
71.01385	21.0
71.54240	1.7
72.99309	1.3
73.02929	5.3
75.00909	1.1
83.01389	4.5
85.02953	11.1
89.02454	5.6
93.41326	1.1
94.68619	1.0
95.01401	1.4
95.19962	1.2
96.95984	6.6
99.00871	1.5
99.92559	1.2
101.02440	13.5
102.82278	1.0
103.04033	1.4
109.02959	3.1
113.02447	6.5
119.03498	1.8
121.02962	16.7
122.03732	2.3
135.04543	1.7
147.04529	4.2
148.32207	1.2
149.02400	1.3
150.03224	4.7
161.04686	1.2
161.06085	2.0
165.05565	20.1
168.00626	1.5
179.07146	4.8
190.38104	1.2
193.05055	1.2
195.06615	1.8
200.23254	1.1
265.07150	1.3
289.11182	3.9
316.82358	1.4
329.14032	1.7
342.14783	1.4
360.15753	15.1
375.18109	49.9
376.18301	4.1
404.19199	1.2
424.78116	1.1
521.21759	1.1
534.25665	1.7
535.27850	3.7
537.23376	100.0
538.23828	7.6
550.48688	1.2
553.31165	2.4
597.19904	2.5
597.28333	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01730	0.8
61.38948	0.4
61.98825	2.8
71.01391	2.8
71.54222	0.5
71.76260	0.4
73.02949	0.9
79.07690	0.4
82.02170	0.4
85.02955	1.2
87.00898	0.6
88.98815	0.8
89.02459	1.1
93.03468	1.0
96.96001	1.3
98.20302	0.4
101.01865	0.4
101.02424	2.1
109.02953	2.0
113.02457	1.4
115.73822	0.4
119.03547	0.4
120.99624	0.5
121.02959	13.4
122.03745	1.3
123.04548	1.1
124.01664	0.5
125.02431	1.3
128.88991	0.4
135.04553	0.5
137.02362	0.4
147.04526	2.2
149.06143	0.7
150.03189	0.6
153.01859	0.5
161.04596	2.2
164.04713	0.4
165.05565	10.8
168.00735	0.6
179.07114	2.5
192.04381	0.7
200.99512	0.4
221.48430	0.4
265.07181	0.9
270.05444	0.7
271.06042	0.7
285.07471	1.9
286.08325	0.5
293.49252	0.4
300.10022	0.8
301.10764	0.7
312.13538	0.6
314.13162	0.4
329.13947	0.8
331.11862	1.3
360.15790	10.4
361.16092	0.5
366.71307	0.4
375.18112	54.7
376.18393	3.2
387.11072	0.6
537.33093	1.4
555.30151	0.6
597.21057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55923	0.5
57.03415	0.8
59.01352	2.4
61.98795	1.2
62.65786	0.6
63.81858	0.5
67.01874	0.5
68.99793	1.2
69.03421	0.9
69.23476	5.1
71.01382	3.5
73.02920	1.2
76.53338	0.6
81.03452	7.5
83.01007	0.5
83.01385	6.0
84.98017	0.5
85.02915	2.3
89.02435	0.8
93.03439	5.7
95.01346	1.2
95.05021	4.6
96.96016	0.6
97.02929	4.8
99.04480	2.3
101.02412	0.7
105.03409	0.7
107.01361	1.0
107.04993	2.2
108.02155	0.8
109.02937	4.0
109.06570	1.7
111.04513	2.8
113.02394	1.8
115.00377	3.5
119.05023	8.2
121.02920	3.4
121.06552	1.1
122.03715	0.8
123.03637	0.9
123.04513	15.6
125.02443	11.9
133.01424	7.1
135.04514	3.8
137.02428	5.0
137.06087	5.6
139.02927	0.6
139.04002	8.9
145.02971	0.9
147.04512	3.6
148.25514	0.6
149.02367	1.4
149.06029	2.2
150.03197	1.1
151.04016	2.7
153.05522	1.8
155.03473	1.2
159.04491	0.7
161.06017	2.2
163.04041	3.4
163.07655	1.2
165.01872	2.2
165.05571	7.3
165.24399	0.6
166.02693	1.4
167.03493	26.2
177.01903	0.8
177.05481	2.1
179.03506	7.3
179.07109	0.9
180.04263	1.4
181.05031	3.3
189.04034	0.7
189.05580	7.4
191.03442	2.0
191.07037	0.6
193.05052	3.8
195.06500	0.6
197.04565	4.6
205.01440	0.7
205.05132	1.0
207.02916	1.1
207.06551	1.5
209.04536	28.6
219.03090	1.0
219.06544	0.8
221.04553	4.8
223.06064	1.7
229.08633	1.9
231.06595	0.6
233.04527	1.7
235.06134	1.2
239.05586	11.7
251.05653	5.2
263.05600	2.1
269.06631	2.5
271.02496	0.8
273.07721	5.9
281.06732	1.0
285.07660	1.6
293.06506	0.7
300.02667	1.3
301.03528	0.6
315.08725	18.0
327.08676	7.6
329.10031	0.7
341.10355	1.4
345.09802	6.5
355.07971	0.9
357.09766	100.0
358.10236	4.7
369.09726	4.2
371.11331	1.0
387.10825	73.5
388.11200	3.9
399.10788	3.8
417.11890	23.1
418.12286	1.8
429.12051	2.2
435.12869	0.9
441.11896	0.6
447.12576	0.8
459.12946	11.0
463.08783	1.7
471.13306	1.3
477.13998	24.5
478.14386	1.4
489.14023	7.8
507.15042	4.0
537.32690	0.9
561.16309	0.8
579.17065	2.4
597.18201	17.0
597.34320	0.8
598.18530	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	597.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27663	0.3
54.38346	0.3
57.03438	0.3
59.01389	1.6
61.98818	0.3
69.81954	1.6
71.01383	1.0
72.74333	0.3
73.02970	0.4
75.00876	1.6
78.95912	2.0
79.95739	2.4
85.02950	1.5
87.00866	0.7
88.04011	0.4
93.03436	0.3
96.96012	100.0
97.03535	0.3
98.20250	0.9
99.00873	0.4
101.02465	0.4
109.02953	0.3
111.00957	0.4
115.00356	0.5
116.22282	0.3
122.03718	0.4
132.03038	1.4
134.03749	1.1
135.04506	0.3
136.01685	2.7
147.02991	0.3
149.02457	0.9
149.06090	0.7
150.03255	2.6
151.04005	3.4
153.09270	0.6
161.02431	0.5
164.04813	0.7
165.05554	3.4
165.45000	0.3
166.02637	0.3
167.07198	0.5
175.02437	0.4
177.01904	0.3
181.05031	0.3
191.01988	0.6
195.06526	1.6
205.05034	0.4
211.13397	0.6
237.04260	0.4
239.80693	0.3
241.05011	0.9
255.12433	1.8
256.07352	0.4
259.15573	0.5
265.07068	0.3
271.05893	0.5
271.09827	1.0
286.08432	0.5
301.10910	1.0
311.16031	0.3
337.05722	0.9
337.09433	0.5
345.13293	0.3
375.14523	0.4
461.14691	0.5
499.10977	1.3
537.19904	0.8
542.40924	0.3
597.07770	0.7
597.18677	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	596.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.16150	0.4
61.98830	100.0
71.52712	0.6
78.95947	0.4
96.33109	0.4
110.06831	0.4
112.82031	0.5
148.70987	0.4
186.62967	0.4
224.37364	0.4
234.64061	0.4
256.06009	0.5
277.21863	0.5
278.22086	0.6
551.56818	0.5
554.49316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.3
59.01376	5.3
60.01728	0.3
61.01812	0.5
61.98829	100.0
71.45658	0.5
85.02944	2.8
94.47435	0.3
99.04523	1.9
101.02485	0.3
121.02969	0.6
155.58391	0.2
159.05472	0.2
185.87093	0.3
191.02000	0.7
228.11012	0.3
293.37949	0.3
395.56879	0.3
504.33209	0.5
537.25433	0.3
555.26245	0.7
565.24677	1.1
579.25818	0.4
596.26733	1.0
597.26953	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	596.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11917	0.3
52.09685	0.2
55.74229	0.2
59.01379	3.6
61.98829	100.0
70.47256	0.3
71.01385	0.6
71.54393	0.4
72.09418	0.2
73.02972	0.3
76.11071	0.2
80.96072	0.2
81.30445	0.2
85.02976	0.9
87.00886	0.3
89.02474	0.2
96.96053	0.3
99.04517	1.3
101.02467	0.3
116.72189	0.2
121.02932	1.4
122.03259	0.2
191.01968	0.2
429.26099	0.9
471.26294	0.6
510.27390	0.3
555.25842	0.5
578.24933	0.3
579.26129	0.7
596.25323	1.7
597.27161	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
58.00602	0.7
59.01073	0.7
59.01377	15.0
59.88231	0.4
69.74977	2.0
71.01381	8.7
72.99285	0.6
74.90120	0.4
85.02948	10.7
87.00887	0.6
89.02441	9.8
95.01435	0.4
98.19992	0.6
99.98514	0.3
101.02441	5.5
103.04005	17.2
113.02457	3.7
119.03502	4.4
143.03505	0.4
145.05061	0.8
150.05609	1.1
161.04610	0.5
168.27907	0.3
177.05565	0.5
179.05630	0.6
183.38458	0.5
217.06349	0.4
238.97823	0.4
239.05678	0.6
249.69106	0.3
251.52135	0.5
265.09262	100.0
266.09567	3.8
312.10788	0.5
330.11871	1.4
331.12244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78051	0.4
59.01378	100.0
59.67038	0.4
60.01707	1.0
61.98829	5.7
68.70484	0.3
71.01386	1.7
71.53799	0.5
73.02948	0.8
83.01349	0.3
85.02977	0.8
88.98827	1.6
89.02429	0.5
96.96036	0.4
99.04532	1.9
101.02468	1.1
103.85081	0.3
106.27093	0.4
113.02458	0.9
120.05798	0.4
121.02954	4.5
122.18380	0.3
133.02998	0.7
134.03746	6.2
135.04524	2.3
135.08186	1.7
137.02451	0.6
147.04480	0.5
149.06117	0.8
157.69774	0.4
160.01624	0.9
161.02483	0.7
161.04564	0.4
175.03990	0.9
179.03487	1.8
179.62341	0.4
193.05031	3.2
207.06680	0.8
247.63179	0.4
322.73761	0.4
338.67065	0.4
387.20706	0.4
389.26926	6.0
427.21658	0.5
441.33798	2.0
445.29538	3.2
459.29568	0.6
468.71878	0.4
489.34213	0.5
490.34732	0.4
491.34863	2.3
503.33774	19.9
504.34433	1.3
509.25443	0.7
509.36688	1.0
511.08710	0.4
548.03418	0.5
551.26050	0.7
572.69073	0.5
595.22650	8.6
596.22583	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06633	0.6
52.24879	0.5
57.03440	1.2
59.01378	100.0
60.01712	1.1
61.98833	13.3
65.86540	0.6
69.03499	0.6
69.17680	5.1
71.01379	6.7
72.99358	0.7
73.02945	3.6
78.95901	1.3
83.01394	1.9
85.02950	7.1
89.02462	1.3
98.20782	1.2
99.00898	1.0
99.04515	10.2
101.02442	7.5
103.03996	1.1
107.05006	0.9
111.04524	0.7
113.02449	2.3
120.99657	1.1
121.02946	10.9
122.03331	1.0
125.02441	1.1
129.01912	0.7
134.03725	0.8
135.04495	1.0
135.08153	1.2
138.39624	0.6
147.04465	1.1
160.01651	1.0
161.04555	2.5
199.07510	0.8
224.64435	0.6
265.09149	1.2
265.28397	0.6
284.03329	0.7
333.80014	0.7
341.23416	0.9
427.21106	1.4
475.27191	7.1
476.27295	0.7
493.21704	1.1
493.27985	10.6
494.28098	1.1
495.20834	0.8
511.22723	0.8
513.24860	1.5
535.29572	8.4
551.24445	2.5
551.31073	2.3
553.24377	4.0
563.25830	2.3
577.24548	1.9
595.25287	35.0
596.25623	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47943	0.6
56.83563	0.7
57.03439	2.4
59.01379	21.6
59.43372	0.6
61.98828	6.7
67.16411	0.6
69.30078	1.7
69.30505	3.5
69.53568	0.5
71.01379	9.5
71.05014	1.6
72.99315	1.1
73.02946	9.9
75.00866	4.4
79.23486	0.6
83.01383	2.0
83.05019	0.9
85.02936	3.6
87.00874	1.4
87.04453	0.6
88.98831	0.8
89.02463	2.8
93.48540	0.5
95.01392	0.9
96.96001	1.9
99.00905	0.9
99.04515	1.3
99.08222	0.7
101.02444	8.1
103.04017	1.3
113.02467	3.2
118.43654	0.6
119.03462	0.7
119.05132	0.7
121.02965	1.7
125.02435	0.8
135.04549	0.6
147.04529	0.8
152.54837	0.5
161.04391	0.8
163.04037	1.0
177.09142	0.8
181.15939	3.5
199.08022	0.5
207.17448	0.8
227.16479	5.9
265.09656	1.4
329.23306	33.6
330.23547	1.5
347.24524	4.2
373.25989	0.8
389.14618	0.8
397.19406	0.6
433.27777	0.7
434.72485	0.6
491.28467	1.2
497.09100	1.0
509.29587	3.6
551.30725	100.0
552.31097	6.8
592.30670	0.6
595.24902	1.7
595.33752	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	595.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73484	0.8
57.31920	0.7
59.01379	20.7
61.98823	3.3
67.01894	1.5
71.01390	2.1
71.52599	1.2
75.00869	1.8
78.95907	29.8
81.03480	1.1
83.05021	4.7
95.05042	1.0
96.96950	4.3
97.02959	1.1
97.06577	5.4
98.20455	0.9
99.04521	57.3
107.05058	1.6
109.06627	1.1
111.04527	2.1
121.02946	1.0
121.06618	2.6
125.06072	3.9
133.06589	3.2
135.08192	1.3
137.06061	1.4
139.07681	1.1
143.08762	0.9
146.07407	0.9
147.08157	1.3
152.99586	39.3
159.08171	2.2
169.10207	1.1
171.00700	1.0
171.08167	1.6
181.08713	2.3
181.10266	1.3
183.08157	1.8
189.09221	3.5
193.08704	1.2
197.09706	2.1
199.11298	6.0
201.09361	0.9
209.09656	2.3
209.11836	3.2
210.12079	0.9
212.08450	5.8
223.00078	4.5
225.09227	3.1
225.90797	0.9
227.10773	49.3
228.11172	2.2
239.14597	0.9
241.01198	10.6
279.23291	27.7
280.23825	1.9
281.15442	1.9
288.11209	1.0
293.13916	4.2
315.04871	6.3
319.16977	1.6
345.18701	1.0
383.22455	1.2
407.18515	2.1
429.24200	1.0
439.21362	2.9
475.25153	0.9
477.26993	4.6
493.26050	5.0
496.46375	1.0
503.24411	2.6
521.25427	100.0
522.25916	7.3
539.26556	16.0
553.28021	48.1
554.28619	3.0
563.26508	30.8
564.27014	3.4
584.70300	1.1
595.28906	49.5
596.28986	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72346	0.7
57.03454	6.3
57.03699	1.2
59.01380	32.6
61.98831	20.7
68.66708	0.8
69.03454	1.1
70.39904	2.0
71.01384	8.0
71.05004	1.1
72.99296	2.9
73.02942	3.3
75.00859	1.8
76.72780	0.7
78.95882	0.7
80.05045	1.0
82.64063	0.8
83.01384	1.8
83.05032	3.8
85.02943	7.7
87.00872	2.9
87.04504	4.9
88.98798	2.0
89.02447	2.2
93.76881	0.7
94.33109	0.8
95.01414	0.9
96.95979	3.7
97.02905	0.9
99.04534	3.5
101.02450	6.1
103.04001	3.4
111.00833	0.7
113.02451	3.7
115.03918	0.8
119.03479	0.9
119.05020	1.6
120.99678	1.5
121.02951	5.9
121.06544	1.1
123.08127	0.8
125.02425	1.7
135.04478	1.0
137.09711	0.9
147.04521	1.2
151.11205	1.3
161.04523	2.5
161.05879	0.8
163.04024	2.4
166.04861	0.7
167.10741	1.5
168.92667	0.8
174.38063	0.8
174.94757	0.8
177.09248	1.5
191.01846	1.2
195.10229	1.6
218.09027	0.8
218.56445	0.8
255.03099	1.1
265.09268	2.1
273.03989	1.0
284.03299	1.0
285.03793	1.6
286.04016	1.2
287.04547	1.3
311.23700	1.9
333.70761	0.8
341.21027	1.1
341.24988	0.9
347.24365	0.9
355.23135	1.0
357.20700	2.1
373.15268	1.3
383.22406	2.1
385.23846	8.3
387.25427	2.1
413.23325	1.9
429.22467	1.1
431.24341	27.5
432.24713	2.5
433.28094	2.2
451.29199	3.6
475.23303	12.9
476.23688	0.9
485.38214	0.9
491.26416	33.4
492.26968	3.6
497.09128	1.8
507.19653	1.7
533.25629	0.9
535.25464	100.0
536.25891	7.4
551.22577	1.0
551.30542	2.3
577.24091	1.4
595.14038	2.9
595.24799	6.3
595.34882	6.7
596.25739	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
57.95535	0.4
59.01379	100.0
60.01694	0.5
61.13859	0.3
61.98835	2.3
69.21094	1.5
69.21516	1.4
71.01377	4.3
73.02934	1.7
83.01426	0.5
85.02948	2.8
87.00909	0.5
89.02464	1.0
92.06523	0.3
93.03469	1.1
96.96018	1.0
98.19851	0.5
100.78502	0.3
101.02432	2.8
103.04024	1.5
109.02962	4.5
113.02472	1.5
119.03504	0.6
121.02071	0.7
121.02948	14.0
122.03754	1.5
123.45295	0.3
125.02397	0.5
134.03714	0.4
135.04530	4.1
135.60352	0.3
137.02449	0.7
149.06102	0.5
152.01193	0.4
159.02997	0.4
161.04549	2.6
163.03986	3.8
165.97325	0.4
173.30298	0.3
193.05107	0.4
197.11882	0.8
209.80582	0.3
265.09259	1.2
282.09146	0.4
284.03217	0.5
285.03949	0.4
293.05545	0.3
297.11322	1.4
327.12592	0.4
341.83279	0.3
347.11359	0.9
357.13535	0.4
358.14197	21.5
359.14713	1.0
373.16531	54.9
374.16855	2.7
376.99710	0.4
389.12198	0.6
391.17468	0.6
532.24677	0.7
551.30963	3.3
577.20020	0.5
595.19073	2.1
595.33795	2.9
603.45709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72346	0.7
57.03454	6.3
57.03699	1.2
59.01380	32.6
61.98831	20.7
68.66708	0.8
69.03454	1.1
70.39904	2.0
71.01384	8.0
71.05004	1.1
72.99296	2.9
73.02942	3.3
75.00859	1.8
76.72780	0.7
78.95882	0.7
80.05045	1.0
82.64063	0.8
83.01384	1.8
83.05032	3.8
85.02943	7.7
87.00872	2.9
87.04504	4.9
88.98798	2.0
89.02447	2.2
93.76881	0.7
94.33109	0.8
95.01414	0.9
96.95979	3.7
97.02905	0.9
99.04534	3.5
101.02450	6.1
103.04001	3.4
111.00833	0.7
113.02451	3.7
115.03918	0.8
119.03479	0.9
119.05020	1.6
120.99678	1.5
121.02951	5.9
121.06544	1.1
123.08127	0.8
125.02425	1.7
135.04478	1.0
137.09711	0.9
147.04521	1.2
151.11205	1.3
161.04523	2.5
161.05879	0.8
163.04024	2.4
166.04861	0.7
167.10741	1.5
168.92667	0.8
174.38063	0.8
174.94757	0.8
177.09248	1.5
191.01846	1.2
195.10229	1.6
218.09027	0.8
218.56445	0.8
255.03099	1.1
265.09268	2.1
273.03989	1.0
284.03299	1.0
285.03793	1.6
286.04016	1.2
287.04547	1.3
311.23700	1.9
333.70761	0.8
341.21027	1.1
341.24988	0.9
347.24365	0.9
355.23135	1.0
357.20700	2.1
373.15268	1.3
383.22406	2.1
385.23846	8.3
387.25427	2.1
413.23325	1.9
429.22467	1.1
431.24341	27.5
432.24713	2.5
433.28094	2.2
451.29199	3.6
475.23303	12.9
476.23688	0.9
485.38214	0.9
491.26416	33.4
492.26968	3.6
497.09128	1.8
507.19653	1.7
533.25629	0.9
535.25464	100.0
536.25891	7.4
551.22577	1.0
551.30542	2.3
577.24091	1.4
595.14038	2.9
595.24799	6.3
595.34882	6.7
596.25739	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1665
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
59.01368	3.4
68.99823	1.7
69.15810	10.6
71.01385	1.9
73.05164	1.0
79.01871	1.5
80.53560	1.0
81.03439	1.2
83.01381	2.9
85.02961	3.9
85.66770	1.2
93.03453	5.4
95.01324	1.2
96.95979	1.7
97.02953	4.9
99.00834	1.1
107.01405	6.3
107.04983	1.2
109.02924	3.0
111.00891	1.7
111.04469	1.6
117.03455	1.3
119.05022	32.1
121.02934	3.4
123.04502	1.9
125.02426	9.7
133.02911	1.4
134.03775	1.4
135.04500	2.3
135.10315	1.1
137.02440	5.2
139.04028	5.8
143.05011	4.2
145.02997	6.0
147.04546	1.8
149.02441	4.0
149.06050	1.9
150.03146	2.1
151.00362	5.0
151.04018	1.5
155.03511	1.1
159.88803	1.1
161.06096	2.2
162.03110	1.1
163.00345	2.5
163.03979	3.2
165.01915	4.0
165.05495	1.2
166.05748	1.0
167.03503	8.4
175.03943	1.8
177.01898	4.0
177.05527	1.6
179.03488	3.0
180.89987	1.1
185.05927	1.3
187.03979	4.4
187.07599	1.2
191.03499	4.1
193.01396	7.7
193.05133	1.3
197.04532	2.5
199.07655	1.7
205.01410	6.2
207.02943	3.7
209.04546	3.2
219.03047	2.5
223.02489	2.0
227.07103	3.2
235.02496	10.8
239.05428	2.2
247.02339	2.7
249.03876	1.5
261.03885	2.4
265.03549	5.4
269.08237	1.7
271.06158	4.2
274.08112	1.1
283.06168	2.1
313.07166	15.9
325.07285	7.0
339.08682	1.3
343.08362	6.1
343.11670	1.5
355.08206	77.4
356.08478	4.9
367.08218	3.5
385.09256	55.5
386.09555	2.2
397.09103	2.5
415.10330	19.3
427.10495	1.5
457.11389	8.5
475.05811	1.7
475.12454	32.7
476.12476	1.3
487.12424	4.4
505.13492	6.7
577.15564	3.7
595.16650	100.0
596.16907	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	594.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78530	0.5
59.01369	0.8
61.98830	100.0
62.83960	0.4
68.36852	0.4
69.09635	0.4
69.62029	1.7
69.62447	1.0
72.08897	0.4
98.19900	0.7
121.02971	1.1
130.19888	0.5
136.97913	0.5
348.91385	0.5
404.08267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
61.98830	100.0
74.12713	0.3
78.95905	0.8
89.70567	0.3
98.19861	0.8
108.02221	0.4
109.02978	0.5
164.45354	0.4
229.40356	0.5
311.04102	0.3
413.38385	0.4
552.85486	0.5
594.16418	0.6
594.38104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	27.6
69.44276	100.0
84.26317	12.7
105.33913	13.2
110.65939	12.5
131.72791	14.9
157.79239	17.2
172.08530	12.4
235.96187	15.8
369.41220	13.9
475.56876	13.4
582.08917	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69921	0.6
59.01389	2.4
61.48812	0.6
61.98829	100.0
69.37492	3.8
69.37894	0.8
71.01382	2.7
72.99325	0.8
80.61562	0.6
83.01393	0.6
85.02951	1.2
87.00899	1.5
89.02469	1.8
96.96015	0.8
99.00906	0.6
101.02450	1.5
111.00893	1.3
111.12492	0.6
113.02444	1.0
115.00389	2.3
119.03500	1.1
124.00753	0.6
125.02473	1.6
127.00394	0.6
134.03758	1.2
148.05333	1.3
149.06123	1.2
162.03189	0.8
163.04013	1.2
164.04823	1.1
173.16547	0.6
175.02498	3.8
177.02065	0.6
177.05621	1.4
179.05620	1.5
179.07072	0.5
192.04329	1.1
193.05061	2.2
204.04324	0.8
207.06662	2.7
217.04974	0.7
220.03819	2.3
233.55394	0.7
235.06062	5.9
247.06207	1.2
251.05624	6.8
258.30844	0.6
289.07233	1.2
291.05151	1.8
307.08136	3.0
349.09082	1.2
351.07147	4.6
369.08533	0.8
424.07864	1.3
469.13635	1.5
513.12463	3.0
529.87482	0.6
531.13477	18.4
547.68542	0.6
549.48956	0.6
595.16260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44149	24.8
61.00122	24.7
61.98819	64.3
70.85157	53.4
71.88244	24.7
83.11105	20.3
140.77751	23.7
161.31706	22.0
170.77185	21.4
392.69022	27.9
517.24805	100.0
606.34808	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
59.01379	100.0
60.01701	0.6
61.98829	2.9
71.01376	0.6
71.05023	0.4
73.02964	0.5
73.63181	0.3
80.69280	0.3
80.96538	0.5
85.02950	0.5
87.04539	0.6
89.02489	0.4
90.14550	0.3
98.20467	1.5
99.04530	0.5
101.02432	0.8
101.06104	0.4
108.74844	0.3
113.02483	0.6
116.77858	0.3
117.42099	0.3
123.08191	0.5
147.04530	2.4
215.12918	1.2
227.03485	0.4
240.01523	0.3
253.09502	0.4
261.88739	0.3
284.03424	0.8
285.04034	0.7
337.25366	0.3
339.27051	0.8
357.24326	8.3
358.25037	0.4
382.06320	0.3
383.25876	0.4
384.14865	0.3
387.25607	0.7
405.26382	0.4
409.31241	1.3
413.26898	4.1
439.31958	2.2
443.27936	2.8
447.28168	0.3
471.31091	3.9
489.34705	1.7
501.32202	28.0
502.32672	2.3
507.36050	0.5
548.16064	0.3
561.25232	2.4
561.33521	0.6
593.15436	1.3
593.27667	3.4
594.27631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.6
59.01380	78.6
61.98829	6.9
69.03455	3.4
71.01392	10.7
71.53197	1.2
73.02940	3.3
81.62161	0.8
83.01389	3.2
83.05027	1.5
85.02949	7.9
86.00069	0.8
87.00834	1.1
89.02425	1.1
95.01419	1.4
97.02943	1.4
97.06606	0.9
99.04523	27.9
101.02435	7.4
103.37016	0.8
108.19583	0.9
111.00832	1.2
111.88831	1.1
113.02470	4.5
115.03970	0.9
121.02961	5.2
122.03271	0.8
125.02520	1.1
135.04535	1.2
137.06137	0.9
143.03477	2.3
147.04568	4.9
159.08130	1.0
161.04578	1.5
170.07324	0.9
171.08183	0.9
174.21332	0.8
185.09660	2.0
198.06833	2.1
199.07625	1.1
212.08409	1.4
213.09256	5.0
214.09839	0.8
216.70604	0.9
241.21741	2.6
255.03017	1.3
255.23370	1.5
269.15314	0.9
284.03207	1.3
285.04190	1.5
295.13358	2.4
338.38925	0.9
345.30157	3.4
356.36288	0.9
392.81458	0.9
427.21301	3.5
467.24182	1.1
469.22037	1.0
489.34302	51.4
490.34500	2.7
491.24249	1.1
493.22226	2.1
507.35321	23.7
508.35788	1.0
509.25497	15.9
510.25491	1.8
511.22952	2.4
533.25311	2.5
549.36548	7.0
551.26581	9.0
561.24628	2.0
593.27551	100.0
594.27814	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	593.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.6
59.01380	78.6
61.98829	6.9
69.03455	3.4
71.01392	10.7
71.53197	1.2
73.02940	3.3
81.62161	0.8
83.01389	3.2
83.05027	1.5
85.02949	7.9
86.00069	0.8
87.00834	1.1
89.02425	1.1
95.01419	1.4
97.02943	1.4
97.06606	0.9
99.04523	27.9
101.02435	7.4
103.37016	0.8
108.19583	0.9
111.00832	1.2
111.88831	1.1
113.02470	4.5
115.03970	0.9
121.02961	5.2
122.03271	0.8
125.02520	1.1
135.04535	1.2
137.06137	0.9
143.03477	2.3
147.04568	4.9
159.08130	1.0
161.04578	1.5
170.07324	0.9
171.08183	0.9
174.21332	0.8
185.09660	2.0
198.06833	2.1
199.07625	1.1
212.08409	1.4
213.09256	5.0
214.09839	0.8
216.70604	0.9
241.21741	2.6
255.03017	1.3
255.23370	1.5
269.15314	0.9
284.03207	1.3
285.04190	1.5
295.13358	2.4
338.38925	0.9
345.30157	3.4
356.36288	0.9
392.81458	0.9
427.21301	3.5
467.24182	1.1
469.22037	1.0
489.34302	51.4
490.34500	2.7
491.24249	1.1
493.22226	2.1
507.35321	23.7
508.35788	1.0
509.25497	15.9
510.25491	1.8
511.22952	2.4
533.25311	2.5
549.36548	7.0
551.26581	9.0
561.24628	2.0
593.27551	100.0
594.27814	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	593.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38649	0.8
57.03440	2.5
58.37978	0.8
59.01380	100.0
60.01720	1.0
61.98831	27.9
62.86745	0.9
71.01376	13.2
72.99290	1.7
73.02948	3.5
78.95915	1.2
83.01390	3.6
83.05017	0.9
85.02953	9.8
87.00844	1.1
87.04510	1.0
88.98798	1.0
89.02448	3.3
96.96048	1.3
97.02933	1.0
98.20267	4.8
99.00871	1.4
99.04491	2.6
101.02450	6.6
103.04019	2.2
113.02466	7.7
119.03512	1.3
120.99665	1.3
121.02964	7.9
125.02392	1.4
130.42950	1.0
142.66617	0.8
143.03505	1.9
147.04482	4.1
161.04503	1.8
179.05580	1.1
209.04420	0.8
209.19107	1.9
213.09386	1.1
213.59697	0.8
227.03285	1.4
255.02925	2.0
284.03226	2.4
285.03925	3.6
299.25967	1.9
345.26300	1.6
345.30023	6.1
371.28006	1.1
431.20401	1.2
489.28308	16.8
489.34286	49.5
490.28836	2.0
490.34799	2.7
507.35416	17.9
508.35507	1.5
519.21832	1.3
533.26105	1.4
549.36023	2.9
551.27631	1.0
561.24341	4.1
593.14789	4.4
593.27313	11.5
593.35626	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03453	2.4
59.01380	100.0
61.25972	0.6
61.98830	1.3
66.91063	0.6
69.25472	4.4
70.03738	0.6
71.01380	14.9
72.99319	0.8
73.02948	4.4
83.01393	2.2
85.02947	8.2
87.00906	1.0
89.02457	2.7
95.01405	2.1
97.03014	0.7
99.00886	1.4
101.02433	6.2
113.02453	9.2
117.09014	0.6
143.03500	1.6
161.04570	4.6
176.49443	0.6
228.89690	0.7
299.25821	1.0
317.13232	0.7
345.30057	5.8
489.34348	52.8
490.34784	3.3
507.35391	17.8
508.35962	2.0
549.37311	3.8
593.35254	1.2
613.27032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66858	0.9
55.01865	1.6
57.03439	2.1
59.01380	100.0
61.98826	9.0
71.01390	9.6
73.02945	5.0
75.00873	1.4
83.01382	2.6
83.05061	1.0
84.59036	0.9
85.02944	7.4
87.00880	1.0
88.37831	1.0
89.02441	1.9
95.01392	1.0
95.05007	1.1
99.00906	1.4
101.02443	8.0
113.02462	4.6
119.05043	1.2
121.02970	3.5
125.02404	1.0
133.10255	1.2
145.06491	1.0
147.04523	16.2
148.04916	1.2
161.04572	1.2
171.04552	1.2
227.03574	0.9
255.03044	1.8
273.81500	0.8
284.03183	1.5
285.03918	1.4
299.25632	1.2
345.22659	3.8
345.30063	2.7
371.22781	1.3
415.21109	5.0
429.23068	1.1
431.20569	2.9
457.22168	2.6
475.22931	1.3
489.34338	45.3
490.34393	2.6
507.35422	18.4
508.35895	1.7
533.24017	2.9
533.33435	1.8
549.33325	4.3
561.24811	15.0
562.24872	2.3
593.14709	2.1
593.28217	15.8
594.28369	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	593.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
57.03456	9.8
59.01380	100.0
60.56620	1.2
61.98832	20.3
69.03443	1.3
71.01385	26.8
71.54476	1.7
72.99318	4.0
73.02949	10.0
75.00863	1.9
83.01399	3.4
83.05048	4.8
85.02948	13.7
87.00883	4.9
88.98830	4.0
89.02452	10.6
91.17121	1.2
93.03464	1.6
95.01387	3.8
95.05041	1.7
96.66941	1.3
96.96014	2.9
97.02986	1.3
99.00922	3.7
99.04532	6.1
101.02436	14.0
103.04018	6.2
108.43837	1.2
109.06664	1.3
113.02451	19.6
115.31540	1.2
116.92801	1.2
119.03532	3.2
119.05065	1.5
120.99633	1.2
121.02938	9.9
125.02461	3.4
135.39960	1.3
137.06143	1.4
143.03537	3.0
161.04584	5.5
187.09782	4.1
195.13998	1.5
209.08234	2.0
227.03453	7.5
229.05159	1.7
241.14247	1.4
247.02704	1.3
255.02940	9.7
265.09335	2.3
284.03305	13.8
285.03922	11.1
327.21970	1.9
327.25476	2.9
345.22748	2.5
345.26379	11.7
348.86951	1.6
385.23932	1.7
387.99542	1.2
411.21973	1.9
429.22922	5.9
431.26486	3.8
435.19269	1.5
449.27930	4.6
459.24072	1.9
471.24103	1.5
489.25006	4.7
489.30807	38.6
490.31113	1.5
491.19339	4.5
503.23965	1.3
507.31854	10.0
530.23132	1.5
531.24530	2.9
533.23822	14.1
549.28461	10.3
593.15210	17.7
593.32086	42.8
594.31665	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	593.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77470	1.6
59.01388	8.5
61.98831	2.4
70.58396	1.8
70.58730	3.3
114.38247	1.5
121.02962	100.0
122.03297	2.0
177.86833	2.1
193.42868	1.5
209.04594	1.7
211.37073	1.5
255.03218	1.5
267.02509	1.6
284.03152	1.8
285.04120	1.5
389.30447	1.5
391.89346	1.6
482.68768	1.6
524.44141	1.9
533.29077	60.9
534.29388	6.4
593.14539	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24771	0.2
59.01381	100.0
60.01712	0.4
60.64499	0.2
61.98834	1.2
63.62970	0.2
69.99615	0.2
71.01406	0.4
71.42376	0.5
75.00878	0.4
76.84818	0.2
78.95914	1.0
96.96956	0.3
98.20396	0.3
101.02486	0.3
121.02956	1.8
123.04522	3.7
128.03555	0.3
143.04675	0.2
147.04509	1.5
152.99612	1.4
171.10301	0.3
173.09753	0.3
201.11342	0.4
209.11861	1.2
225.11404	0.4
227.12895	0.4
255.03175	0.3
259.51163	0.3
284.03323	0.5
291.19873	0.5
306.07956	0.4
409.24097	0.5
431.22247	0.4
533.29034	7.8
534.29517	0.5
539.21484	0.2
589.46997	0.3
593.15778	0.5
593.25751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2604
Annotation	2-Deacetyltaxachitriene A
Peak:m/z	Relative Intensity
51.83587	1.0
56.72640	0.9
57.03444	7.4
59.01378	100.0
60.01681	1.1
60.99304	1.0
61.98534	1.9
61.98829	22.3
69.03455	2.4
69.23188	9.7
71.01373	11.7
72.99326	1.7
73.02943	13.6
74.02483	1.3
75.00883	1.0
76.64627	1.0
81.03458	2.5
81.07077	1.3
82.88015	1.1
82.95370	1.1
83.01376	1.5
83.05027	7.1
85.02942	11.6
87.00881	2.3
87.04520	8.9
88.98814	8.2
89.02451	3.9
89.28416	1.0
95.01438	1.9
95.05025	1.3
96.95987	3.2
97.06585	1.4
99.00873	1.9
99.04531	4.1
101.02441	6.5
103.04021	1.6
107.08645	1.3
108.04523	1.1
109.06609	2.8
111.04555	1.2
113.02435	2.8
113.06077	1.2
119.05043	1.5
120.99674	1.3
121.02956	4.4
123.04559	1.3
125.02478	1.3
137.06065	1.4
141.05577	2.3
141.79893	1.0
163.07613	1.1
187.14867	2.8
209.11836	1.1
222.80057	1.0
227.03535	5.0
255.03001	6.9
284.03220	8.7
285.04062	10.8
287.15210	1.1
307.21078	1.0
311.23743	3.7
325.21671	12.6
327.22266	1.5
339.23129	2.4
347.18713	3.0
355.22693	2.3
357.24243	4.9
367.22751	8.3
369.20786	4.3
385.23825	15.4
401.23254	1.6
411.21863	2.8
415.21149	3.0
429.22754	36.9
430.23212	3.5
443.24631	1.3
457.22223	2.2
463.23730	1.4
463.82227	1.1
471.23892	8.8
472.80679	1.3
473.21573	1.4
475.23270	2.3
489.24930	18.0
489.28494	18.9
490.29099	1.3
491.22568	4.1
507.25821	2.7
531.24347	1.1
533.23895	94.8
533.32635	8.1
534.24475	6.8
549.32135	9.4
551.25183	1.4
557.24274	1.7
593.14789	11.5
593.25305	8.4
593.33130	13.2
594.15399	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2605
Annotation	2-Deacetyltaxachitriene A
Peak:m/z	Relative Intensity
56.73734	1.2
57.03435	2.5
58.00602	1.2
59.01379	86.1
61.98830	9.7
64.99216	1.0
69.03444	1.3
69.96223	1.1
70.28768	2.7
70.29117	1.6
71.01385	5.7
72.99310	1.9
73.02949	12.9
81.03423	1.4
83.01388	3.5
83.05004	1.1
84.02165	2.4
85.02951	9.5
86.33485	1.2
87.00864	3.3
87.04516	1.6
88.98830	1.1
89.02457	2.3
96.96017	2.7
99.04494	2.5
101.02444	4.7
103.00373	70.0
103.04001	1.3
113.02455	4.1
121.02923	3.8
127.28045	1.1
129.21278	1.0
135.08203	1.5
142.65773	1.1
147.30385	0.9
227.03484	1.4
228.56729	1.0
231.13870	2.0
233.15540	4.8
255.02937	2.3
284.03180	3.2
285.03973	3.3
287.20032	2.1
309.18564	1.3
311.19952	1.9
317.61847	1.1
327.23315	3.7
345.29776	1.7
369.20599	2.8
381.20660	2.5
383.22162	1.4
399.21512	3.0
411.21832	2.6
429.22769	18.3
443.20688	1.6
471.23633	2.1
473.21942	5.6
475.26553	1.4
489.24313	56.6
489.34515	3.5
490.25217	3.7
507.35162	3.3
533.23901	100.0
534.24457	7.1
549.24902	1.1
549.32697	18.3
566.22827	1.0
593.15558	2.4
593.25964	20.8
593.34766	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	593.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.2
59.01377	100.0
60.01717	1.0
61.98825	12.6
71.01383	14.4
71.05023	1.6
71.53870	1.1
72.99310	2.1
73.02940	9.0
75.00871	1.6
78.95934	0.8
83.01392	1.7
83.05025	2.7
85.02938	8.2
87.00894	2.3
87.04518	1.6
88.98789	1.4
89.02448	2.7
93.03458	1.5
95.01386	1.0
95.05045	1.6
96.96033	3.5
97.06614	0.9
99.00880	39.7
99.04549	1.9
101.02453	6.8
103.03999	7.2
107.05020	0.8
107.36113	0.9
109.02988	1.6
111.04561	0.9
113.02483	3.4
113.06155	0.7
115.00445	1.2
115.04015	1.0
116.67862	0.9
119.03516	1.3
119.05040	1.3
121.03001	1.6
123.04621	1.4
125.02477	1.6
125.06065	1.2
137.02463	1.2
137.06108	1.0
137.72449	0.7
154.39253	0.7
161.04646	1.0
163.03995	1.0
165.05649	0.8
177.05476	1.1
191.02107	0.8
193.39737	0.7
195.06647	0.8
220.09207	0.8
227.03464	3.5
235.17035	1.1
253.18137	1.8
255.02927	7.6
265.09537	0.9
271.19101	1.8
277.18253	1.0
281.18961	1.1
284.03268	8.9
285.04071	9.6
321.17026	1.1
327.22086	0.8
345.22946	1.9
359.14987	0.9
371.24518	1.4
374.13550	1.6
389.16193	2.6
389.25824	1.4
391.21594	2.2
393.23193	2.6
413.16202	1.0
475.23541	1.4
491.22913	18.9
491.29474	1.0
507.27365	1.0
533.23889	23.6
534.24536	1.4
549.29242	15.9
550.29877	1.1
575.25183	1.4
593.16559	10.1
593.32306	41.1
594.32416	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	593.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30203	0.9
57.03450	5.9
69.03445	1.3
71.01365	1.1
83.05068	1.0
95.05045	0.9
97.02965	1.4
97.06585	2.6
98.19967	3.0
98.20644	2.3
106.90836	0.8
109.06602	5.4
119.37929	0.9
123.08153	5.6
124.05305	7.2
125.02456	1.4
129.09224	2.5
136.05254	2.1
139.07648	37.4
149.09680	1.2
151.07642	17.3
151.11263	1.1
153.09206	4.8
159.08156	0.9
161.09708	2.8
164.08432	1.0
165.09131	1.3
169.08772	2.4
179.10768	25.4
180.10866	1.1
181.12299	2.1
189.09216	1.0
191.10757	4.5
197.11723	2.1
201.76753	0.9
205.47305	0.8
207.10124	1.2
209.11833	12.5
227.12849	10.1
271.11856	100.0
272.12173	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	593.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63600	1.6
57.03444	7.1
57.44044	1.6
59.01378	49.2
61.98824	6.8
68.11359	1.6
71.01379	27.7
71.53285	3.1
72.99301	2.7
73.02941	11.8
83.01396	3.7
85.02952	15.6
87.00899	3.1
89.02455	18.7
95.01406	2.3
95.03807	1.7
96.96020	4.2
97.02981	1.9
99.00925	2.0
99.04494	3.9
101.02443	19.1
103.04008	23.3
104.83517	1.5
110.16795	1.6
113.02471	12.2
119.03499	7.0
119.04987	1.8
120.99654	47.6
121.02943	1.8
123.04526	1.8
124.07700	8.0
124.38523	1.6
125.02391	2.7
132.04549	31.0
132.62660	1.8
133.05359	19.4
134.06155	11.4
148.04033	3.1
149.04582	2.1
150.05518	2.1
151.00421	1.9
161.04539	4.0
163.00333	1.7
165.04346	15.6
176.03505	7.4
176.07185	1.9
177.04312	8.0
177.42780	1.5
178.05122	8.3
179.05644	2.7
183.57639	1.8
185.06108	1.7
186.09363	2.0
187.04039	2.2
189.05612	3.6
190.06407	4.1
205.08617	2.4
209.03252	8.0
214.12393	4.8
215.11903	6.2
223.04852	3.0
227.03496	24.7
229.05043	9.5
229.09839	3.2
240.10384	3.2
241.09825	5.7
249.11252	2.4
254.90135	1.7
255.02960	44.7
255.11708	1.9
256.03818	2.6
257.04620	3.2
257.12909	29.3
265.09293	13.1
283.10809	16.5
284.03244	57.7
285.04007	58.4
286.04340	3.2
301.11908	28.4
302.12192	2.7
315.13412	4.2
327.09708	4.0
341.10187	2.0
343.12830	13.3
345.10901	79.8
345.15063	2.8
346.11261	3.2
359.14905	7.3
369.10565	2.1
371.14810	2.4
387.11874	23.2
387.19897	1.9
417.13068	3.0
430.18204	2.4
431.18311	3.7
447.13931	11.0
479.70639	2.1
489.15710	4.2
507.16132	26.5
508.16882	2.4
533.25995	2.8
549.20660	2.3
549.28369	8.3
551.27527	3.6
587.09406	2.1
593.20337	100.0
594.20789	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	593.1879
Annotation	Didymin
Peak:m/z	Relative Intensity
55.01873	1.7
57.03448	7.9
58.00600	1.3
59.01381	43.2
61.98827	11.0
69.25486	8.9
71.01382	16.9
71.05032	1.0
72.99306	2.4
73.02946	5.0
75.00840	1.3
78.95885	2.0
83.01382	2.4
83.05008	1.4
85.02955	21.2
87.00874	3.5
87.04449	1.4
89.02454	9.8
95.01393	2.1
96.95988	2.1
99.04542	1.9
99.72382	1.0
101.02460	10.6
101.06096	1.0
103.00354	2.0
103.04009	38.3
107.05083	1.1
108.02185	0.9
109.03006	1.1
113.02455	6.1
116.92893	1.1
119.03497	3.9
119.05151	1.2
120.99701	1.4
121.02950	3.3
123.08125	1.1
125.02493	1.6
134.03696	1.2
143.03441	1.1
145.05054	1.4
150.03183	1.1
151.00417	1.8
152.99577	1.2
153.01921	1.5
161.04568	1.9
163.03995	2.1
165.01953	1.1
165.05539	3.0
166.02646	1.5
179.03470	1.6
193.05118	1.5
195.06650	1.1
196.05385	1.0
197.06088	2.2
201.65427	1.1
206.76915	1.0
209.04549	3.0
212.03113	1.3
213.05533	3.8
224.04686	1.7
225.05556	5.5
227.03473	4.1
229.04999	1.1
237.05510	2.8
239.03485	1.7
239.07094	2.4
240.04283	3.6
241.05006	10.6
242.05827	2.3
251.05392	2.0
252.04520	1.0
253.05090	10.0
254.05673	1.2
255.02933	10.0
255.06425	2.1
256.03595	1.4
256.07364	8.2
257.04550	1.9
257.08173	1.9
265.09259	23.5
267.06595	2.7
268.03766	1.1
268.07385	3.7
269.04526	3.7
269.08075	1.3
271.06094	3.0
271.09760	3.0
273.07602	2.3
281.04608	2.2
282.05460	1.6
282.08755	1.8
283.06064	2.7
283.09705	5.1
284.03317	9.4
284.06351	1.9
285.03979	10.6
287.05469	1.2
295.06015	2.8
296.06842	4.9
297.04105	12.3
297.07379	1.4
297.11203	2.6
299.05600	4.2
300.06354	5.0
311.05423	6.4
312.06387	13.7
313.07205	1.4
315.08737	18.6
326.08063	1.9
327.05334	2.1
327.08713	42.9
328.09073	2.4
329.10129	1.8
338.07761	2.7
339.05029	3.8
341.10336	3.1
342.07407	2.6
343.08252	1.1
345.09842	1.9
354.07520	6.9
357.09772	13.3
359.14728	3.3
369.09790	22.3
371.23926	1.3
387.10611	1.3
389.15799	1.2
417.11960	4.0
429.11954	2.1
429.26535	1.9
447.12662	1.2
457.13412	10.8
489.13892	1.8
489.29276	1.1
533.23969	1.4
549.28864	11.0
560.15051	1.7
563.17645	46.5
564.17865	2.9
575.17688	100.0
576.17896	6.5
593.18268	40.6
593.31281	11.9
594.18451	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74308	0.7
57.03449	10.5
59.01374	3.3
69.03462	4.1
71.01385	3.1
71.05018	1.3
71.53806	0.7
83.01375	1.7
83.05042	1.2
85.02952	1.2
85.44518	0.6
86.38174	0.6
87.00887	3.5
93.03469	0.8
93.38112	0.6
95.05000	0.7
97.02984	0.6
97.06606	1.8
99.00882	6.7
101.02463	0.8
109.02940	1.8
109.06580	1.6
111.00883	2.2
111.51575	0.6
112.75465	0.7
115.00378	11.0
121.02954	2.2
121.06581	1.9
121.10222	1.2
122.03757	1.6
123.08157	2.6
125.02425	2.2
129.01907	0.6
133.02931	2.7
134.03735	12.0
135.04495	2.6
137.02423	1.8
137.09718	15.4
139.00357	3.7
139.11383	0.8
149.02492	2.9
149.03473	0.6
149.06081	7.7
149.09703	2.6
150.03238	9.1
151.07663	0.7
151.11325	4.0
153.09250	1.8
153.12804	3.1
157.01456	3.5
159.02966	1.5
161.02434	11.7
161.06088	1.4
163.03983	0.8
163.11279	4.7
165.01941	2.9
165.05586	10.2
165.12833	6.5
167.10809	1.3
175.02461	6.5
175.03984	1.4
175.11214	0.7
177.01936	15.3
177.05560	1.3
178.02698	7.7
179.03474	1.9
179.10762	1.4
180.04269	1.0
181.12346	13.7
183.13889	17.3
189.05573	1.7
191.10760	0.6
193.05052	30.6
193.12363	4.4
195.06659	7.6
204.38016	0.5
205.05157	1.4
206.02177	3.4
209.00969	1.0
211.13390	32.4
212.13733	0.7
215.08717	0.6
219.03035	1.2
227.03590	0.6
227.12943	0.7
233.04524	13.4
237.04021	1.9
255.12372	100.0
256.12762	3.1
271.06152	1.3
277.03540	32.2
278.03812	1.4
284.03265	1.3
286.08521	0.8
287.09219	1.6
305.06583	0.8
319.04572	17.9
320.04745	0.8
337.05621	15.1
337.09695	0.8
341.10239	4.6
354.49118	0.7
389.12552	5.2
423.06943	0.9
491.15540	0.8
593.19739	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70940	0.7
57.03444	11.3
58.01699	0.6
59.01368	2.1
59.67642	0.6
60.13103	0.6
69.03445	5.1
69.27013	4.7
71.01370	2.9
71.05003	1.0
72.99332	0.8
83.01403	1.8
85.02950	1.7
87.00863	2.7
93.03443	0.9
94.46603	0.6
96.95997	1.0
97.02910	0.7
97.06578	1.9
98.19783	0.7
99.00881	7.8
101.02394	0.7
107.05029	0.9
109.02927	1.7
109.06592	1.9
111.00887	1.7
115.00378	9.0
121.02975	1.9
121.06587	2.1
123.08163	4.0
125.02448	3.3
133.02931	2.7
134.03740	10.3
135.04520	2.3
135.08136	0.7
137.02461	2.2
137.09724	14.6
138.06865	1.2
139.00359	3.9
139.22279	0.7
141.01874	0.8
147.04488	0.6
149.02429	3.0
149.06070	7.6
149.09680	2.5
150.03227	7.6
151.03889	0.6
151.11281	2.1
153.09210	4.1
153.12875	3.5
157.01416	2.6
159.02972	2.4
161.02448	13.2
163.11301	4.3
164.46785	0.7
164.76215	0.6
165.01909	2.6
165.05577	8.8
165.12827	7.9
167.10744	0.8
174.03185	0.7
175.02467	7.7
175.03992	2.0
175.11243	0.7
176.94678	0.6
177.01941	15.8
177.05525	0.8
178.02675	6.3
179.03462	3.0
181.12337	14.6
183.13901	16.1
187.03999	1.0
189.05618	1.3
193.05055	25.7
193.06828	1.3
193.12366	3.8
195.06659	4.4
205.05180	0.7
206.02211	2.7
209.00851	0.9
211.13391	34.2
219.02989	1.3
227.09286	1.4
227.12842	0.8
228.08766	0.7
233.04555	12.8
237.04008	1.7
239.07147	0.7
255.12363	100.0
256.12717	2.6
277.03525	32.8
282.09116	0.7
287.09174	1.6
293.06738	1.4
305.06641	1.9
319.04584	19.0
337.05600	14.1
337.09641	1.0
341.10254	3.9
389.12442	4.1
423.07428	1.1
431.13577	0.7
491.15817	1.0
513.62836	0.7
555.73828	0.7
593.19519	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	593.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02359	0.8
65.00330	0.5
69.50710	2.3
69.51115	0.8
74.02489	0.5
78.18066	0.5
83.87794	0.5
93.03474	1.1
107.01377	1.9
114.20791	0.5
129.84012	0.4
132.02231	0.6
135.00893	1.1
143.05052	0.8
151.00333	2.7
157.06595	0.7
159.04471	0.9
163.00374	1.6
164.01169	0.6
171.04555	0.7
173.59319	0.4
175.99120	0.4
183.04485	0.5
185.06081	2.5
187.04022	2.6
197.06099	0.9
199.03979	1.0
201.05634	0.7
211.03902	2.9
213.05553	1.8
223.04051	0.6
227.03484	32.4
228.03836	1.2
229.05055	11.1
239.03493	1.9
240.04185	0.9
241.05037	1.4
255.02969	55.6
256.03653	5.5
257.04523	7.1
267.02783	1.0
284.03250	66.8
285.04013	89.6
286.04456	3.2
298.04321	0.6
327.04962	0.8
587.79803	0.6
593.15088	100.0
594.15405	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30374	0.2
59.01368	0.4
62.17551	0.2
63.02394	0.4
65.00327	0.5
69.30334	1.9
74.02618	0.2
77.96425	0.2
79.17871	0.2
83.01392	0.4
83.08579	0.2
93.03463	0.7
107.01391	1.4
109.02990	0.3
117.03490	0.2
119.56386	0.2
125.02443	0.4
132.02190	0.7
135.00888	1.2
143.05017	0.4
151.00354	3.3
153.02003	0.5
155.04956	0.3
157.06522	0.2
159.04424	0.5
163.00377	1.9
164.01031	0.4
167.05020	0.3
169.01445	0.3
169.06490	0.4
171.04512	0.5
178.99841	0.3
183.04517	0.7
185.06053	1.2
187.03979	1.0
189.05540	0.6
190.99852	0.3
195.04521	0.5
197.06070	0.4
199.03961	0.8
200.04794	0.5
201.05603	0.4
211.03943	1.4
213.05545	1.0
227.03476	32.6
228.03894	1.4
229.05025	4.4
239.03523	1.5
240.04089	0.5
241.05078	0.8
255.02971	59.7
256.03592	6.1
257.04492	3.1
267.02890	0.2
283.02493	0.8
284.03238	95.5
285.03973	35.0
286.04321	1.3
297.03973	0.3
299.05429	0.3
304.89624	0.2
327.04990	1.1
593.15063	100.0
594.15405	8.3
594.24951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49578	0.3
58.94504	0.3
59.01369	1.9
61.98830	100.0
67.16343	0.3
69.19084	0.9
69.19487	2.4
78.95891	0.4
93.93201	0.3
96.95978	0.6
103.60213	0.3
121.02914	0.4
135.43153	0.3
153.56122	0.3
256.47791	0.3
297.57877	0.3
419.41727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.7
59.01380	49.0
60.99321	0.5
61.98835	4.6
63.02411	1.3
69.33322	4.6
71.01385	4.7
72.99309	2.6
73.02956	3.1
75.00867	0.8
83.01387	15.4
83.31095	0.8
85.02941	3.0
87.00896	1.0
87.04516	0.9
88.98811	2.3
89.02473	1.4
93.03469	2.0
96.96033	0.8
98.20605	1.4
99.00870	0.7
99.04525	1.5
101.02439	3.1
101.96507	0.6
103.03991	0.7
107.01384	3.5
108.02217	0.7
109.02897	0.7
113.02430	1.9
117.03452	3.3
119.05047	3.9
120.99624	0.8
121.02964	2.5
125.02419	1.2
132.02176	0.9
135.00897	1.8
136.05276	4.0
137.06099	0.7
143.05052	1.1
145.02963	12.4
149.06049	0.7
149.09723	1.8
151.00365	6.1
157.06590	0.9
159.04514	1.4
163.00320	2.7
163.03976	3.0
168.04271	1.4
169.06529	0.7
183.04518	1.3
185.06082	1.3
186.11635	0.6
187.03923	3.0
189.05574	0.9
196.20262	0.6
197.06075	0.8
199.04007	1.1
205.05148	0.6
211.03947	2.6
213.05583	1.3
227.03490	36.0
228.03995	1.5
229.05042	8.9
239.03529	1.5
240.04182	1.4
241.05058	1.1
255.02975	63.9
256.03659	8.2
257.04547	5.6
265.09464	0.7
267.02850	1.1
281.41049	0.6
283.02420	0.7
284.00031	1.5
284.03253	75.2
285.04022	84.9
286.04373	2.6
307.08212	5.0
309.24469	1.2
311.22217	2.3
344.15805	1.8
345.16095	1.4
356.12640	1.3
371.14948	27.9
372.15161	1.1
411.21771	1.9
431.26517	1.3
447.09241	2.5
449.27350	2.5
473.21570	0.6
489.28812	13.8
533.23907	6.2
533.33197	4.1
549.28979	0.7
592.33881	2.5
593.12994	100.0
593.31891	16.5
594.13226	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	592.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10698	0.1
58.57846	0.2
59.01382	1.4
61.98829	100.0
71.01387	0.5
71.52837	0.3
76.23696	0.1
78.95919	0.2
78.98590	0.2
79.95733	0.6
80.96513	2.3
94.98105	0.5
95.42826	0.2
99.04510	0.7
101.02435	0.4
109.01177	0.2
110.02509	0.2
121.02952	0.6
122.06120	0.2
137.68036	0.1
145.85513	0.1
148.99107	0.2
152.98749	0.3
153.00182	1.1
164.98537	0.3
225.00797	0.6
255.03110	0.2
284.03308	0.2
345.24496	0.3
390.89111	0.2
487.25101	0.2
494.20010	0.2
574.21906	1.1
575.26862	0.5
592.24829	4.5
593.15198	0.3
593.26123	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	592.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02531	0.3
59.01379	6.9
61.98829	100.0
71.52670	0.5
78.95911	1.3
83.05010	0.3
99.04516	3.8
103.04000	0.4
121.03004	1.0
132.08072	0.4
146.60347	0.4
152.99597	1.1
163.11246	0.3
170.07391	0.3
198.06879	0.7
199.07634	1.5
212.08369	0.4
213.09229	2.2
281.12198	0.7
291.07330	0.3
295.13461	0.7
335.16418	0.3
361.18060	0.4
409.20892	0.4
427.21036	1.9
430.43585	0.4
433.20663	0.4
457.22357	0.8
493.22964	0.4
493.31946	0.3
509.25333	7.0
511.23541	0.4
533.18750	0.4
533.25330	1.6
551.27216	0.6
592.28192	0.4
593.27356	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	591.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98095	1.0
57.03448	2.3
59.01380	100.0
60.01680	1.0
61.98822	7.7
63.78258	0.9
69.17360	3.4
69.17781	6.3
71.01381	17.7
72.99299	1.0
73.02938	4.7
75.00876	1.3
78.95888	2.1
83.01393	2.9
85.02955	9.2
87.00830	1.2
87.04515	1.4
89.02449	2.8
94.98060	1.4
95.01375	1.9
99.00858	1.8
99.04523	4.3
101.02448	8.8
103.04008	2.0
106.20969	1.0
113.02451	11.3
121.02950	4.3
125.02462	1.7
135.04472	2.4
143.03543	2.5
143.10776	3.2
147.04500	11.1
152.99635	1.4
159.02924	1.9
161.04576	6.3
171.10213	1.2
209.11737	1.3
257.69019	1.0
325.23697	1.1
343.28491	2.9
413.40244	1.0
429.19180	3.4
487.26971	2.5
487.32846	30.2
488.32925	1.4
489.21442	2.6
505.33780	15.1
506.34360	1.5
531.25604	2.3
547.32788	3.0
559.23547	3.0
591.25684	12.6
591.33917	3.1
599.20313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53211	0.3
55.01881	1.1
57.03440	2.5
58.00594	0.6
59.01379	100.0
60.01719	0.4
60.25955	0.4
61.98827	0.9
69.03450	0.6
69.26236	2.7
69.26653	0.9
69.32415	0.3
71.01382	17.5
72.99309	0.6
73.02950	9.0
80.02229	0.5
83.01380	2.2
85.02953	10.5
87.00888	1.4
87.04515	0.5
89.02445	3.8
93.03445	0.4
95.01414	1.8
97.02978	1.0
98.19965	1.0
98.20663	0.9
99.00868	2.7
99.04487	0.4
101.02435	7.7
101.03021	0.6
111.04554	0.7
113.02446	10.5
119.03471	1.1
121.02954	6.4
123.04519	0.4
125.02491	1.1
143.03516	1.7
143.10770	2.9
149.06114	0.7
159.02985	1.2
159.04404	0.6
161.04543	6.5
161.05902	0.5
163.15036	0.4
193.05058	0.5
211.06133	0.5
215.10681	0.5
267.14551	0.4
313.27655	0.5
343.28555	4.1
367.29443	0.4
413.16138	0.5
457.31467	0.4
487.32748	36.4
488.33209	2.4
505.33817	17.8
506.34412	1.2
547.35193	5.3
548.35352	0.8
559.22467	2.0
591.25659	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	591.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.2
59.01381	18.6
61.68364	0.7
61.98819	2.1
67.25918	0.6
68.99822	0.9
69.03448	2.7
69.27438	0.6
71.01385	7.7
73.02955	0.9
75.00870	1.7
78.95834	0.6
81.03458	1.0
83.01394	2.0
85.02954	17.9
93.03463	0.7
95.01385	16.8
96.99303	0.9
97.02972	1.5
99.00882	1.4
101.02467	1.5
107.04992	0.8
108.02175	94.9
109.02955	100.0
110.03297	1.3
113.02413	3.3
121.02962	2.4
123.00889	12.9
123.04523	2.5
130.99287	0.7
133.02960	1.2
135.04543	1.0
151.04015	7.4
153.01939	2.4
161.04536	3.1
163.03984	1.5
168.04297	1.2
169.05092	1.5
203.98419	0.6
209.11890	0.8
277.21716	62.7
278.22025	3.2
291.23441	1.3
531.29596	2.9
567.99213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	37.0
61.98817	1.7
65.02639	0.4
68.27337	0.4
69.03433	0.7
70.65618	0.4
73.11560	0.5
76.05284	0.4
90.03621	0.5
99.55464	0.5
99.92648	0.5
101.15844	0.4
103.08161	0.5
119.90199	0.5
121.02952	100.0
122.03293	1.6
123.00907	0.8
124.01657	3.0
125.02442	8.7
149.99573	5.6
168.00615	8.8
169.01479	0.6
188.89462	0.5
235.63806	0.5
366.75000	0.5
406.37292	0.5
489.19128	0.7
531.27527	5.5
532.28186	0.7
591.28027	15.3
592.28528	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13676	0.1
59.01377	50.3
60.01724	0.2
61.94138	0.1
61.98824	0.6
70.42918	0.1
77.03986	0.2
84.87606	0.1
85.17110	0.1
93.03466	0.3
98.19986	0.5
98.20678	0.4
121.02954	100.0
122.03310	1.2
156.00679	0.2
176.45003	0.1
217.07971	0.2
229.63663	0.2
531.27472	22.0
532.27881	1.5
549.28558	6.6
549.35077	0.1
550.28680	0.5
591.29730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10854	1.0
53.67251	1.0
57.03439	5.5
59.01371	2.6
59.14110	1.1
62.28871	1.0
71.01366	2.3
71.53866	2.0
72.97521	4.5
73.02941	1.1
81.03455	1.3
85.02957	1.7
92.27906	1.1
95.04991	1.6
96.95992	3.5
97.06553	1.8
99.04492	1.7
99.92585	1.4
101.02443	2.1
109.02983	0.9
109.06586	4.9
116.92847	14.4
118.98106	2.8
122.03728	1.3
123.04494	1.6
123.08159	5.8
124.05298	6.6
125.02447	1.8
129.09189	1.8
135.04501	1.4
136.05260	2.8
139.07635	34.3
151.04076	1.1
151.07617	19.3
153.09183	4.7
161.09741	2.9
169.08682	1.7
177.01793	1.1
179.10751	22.0
181.12152	1.1
189.09206	1.3
191.10782	6.6
197.11823	3.4
209.11784	11.4
227.12906	10.4
239.68341	1.1
253.07133	1.9
259.78915	1.0
265.09280	1.7
271.11835	100.0
272.12042	4.0
319.08450	1.0
357.68933	1.1
466.81998	1.1
591.19299	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2613
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
61.98820	0.3
71.15083	0.6
72.63982	0.3
75.23856	0.3
78.95910	0.5
81.54668	0.3
88.07495	0.3
102.49150	0.3
106.06638	0.7
107.02032	0.4
125.63338	0.3
186.57471	0.3
361.14453	0.3
396.17169	1.0
429.16797	0.5
443.22812	2.5
444.19510	0.6
445.19351	1.8
455.22607	0.8
456.23141	0.9
457.20163	0.9
458.21094	0.9
459.21646	2.3
460.22574	0.5
467.19104	0.4
471.21167	1.6
471.25726	2.5
472.23547	2.2
473.23520	1.1
476.18515	0.4
482.21265	2.0
485.19833	2.2
487.25668	3.5
488.22260	0.5
489.23376	0.4
496.22342	0.4
497.23401	4.8
498.24200	0.6
499.21295	4.7
500.22183	14.6
501.22400	1.2
503.21246	0.3
504.21860	0.7
513.22852	0.7
514.23590	1.2
515.24512	100.0
516.24805	8.1
518.23364	0.5
519.23871	0.9
547.27075	0.6
559.23523	5.9
560.23669	0.5
591.26086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.1
59.01379	20.0
61.98537	0.7
61.98817	4.5
66.25163	0.8
69.50396	3.2
69.50808	1.6
71.01389	5.2
72.99319	0.9
73.02945	2.9
75.00846	0.9
80.28855	0.9
83.01402	0.8
83.05039	1.4
85.02975	3.7
88.06061	0.8
88.98815	5.1
89.02450	1.4
93.03451	1.2
95.82115	0.8
96.96000	1.7
98.20309	2.9
99.00858	0.9
99.04530	2.9
101.02448	2.8
103.04002	1.5
109.02959	3.4
111.04552	1.1
113.02447	1.5
116.92837	2.5
121.02943	7.7
122.03712	4.6
123.04548	3.0
125.02457	1.1
133.86546	0.9
149.09763	0.8
161.04709	0.9
161.06032	2.0
163.03989	2.7
171.10228	1.3
173.06087	0.8
190.06332	1.9
191.07101	3.5
201.11215	0.9
237.21222	0.8
240.67128	0.7
242.19034	0.7
250.54321	0.8
299.12976	1.6
313.10910	2.0
319.08493	0.8
325.23657	1.2
327.21823	1.1
328.13126	28.5
329.13565	1.2
343.15488	100.0
344.15915	5.5
369.26535	0.8
471.19955	1.0
487.26962	2.8
510.15344	0.9
529.24652	0.9
531.22211	1.2
531.32043	1.5
547.26703	1.7
553.21716	1.1
591.30341	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	591.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.1
59.01379	20.0
61.98537	0.7
61.98817	4.5
66.25163	0.8
69.50396	3.2
69.50808	1.6
71.01389	5.2
72.99319	0.9
73.02945	2.9
75.00846	0.9
80.28855	0.9
83.01402	0.8
83.05039	1.4
85.02975	3.7
88.06061	0.8
88.98815	5.1
89.02450	1.4
93.03451	1.2
95.82115	0.8
96.96000	1.7
98.20309	2.9
99.00858	0.9
99.04530	2.9
101.02448	2.8
103.04002	1.5
109.02959	3.4
111.04552	1.1
113.02447	1.5
116.92837	2.5
121.02943	7.7
122.03712	4.6
123.04548	3.0
125.02457	1.1
133.86546	0.9
149.09763	0.8
161.04709	0.9
161.06032	2.0
163.03989	2.7
171.10228	1.3
173.06087	0.8
190.06332	1.9
191.07101	3.5
201.11215	0.9
237.21222	0.8
240.67128	0.7
242.19034	0.7
250.54321	0.8
299.12976	1.6
313.10910	2.0
319.08493	0.8
325.23657	1.2
327.21823	1.1
328.13126	28.5
329.13565	1.2
343.15488	100.0
344.15915	5.5
369.26535	0.8
471.19955	1.0
487.26962	2.8
510.15344	0.9
529.24652	0.9
531.22211	1.2
531.32043	1.5
547.26703	1.7
553.21716	1.1
591.30341	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	590.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05373	0.4
53.86634	0.4
55.01881	1.2
57.03443	2.1
58.00586	1.1
59.01378	61.7
60.01702	0.6
61.98828	6.6
69.03453	0.4
69.36544	1.1
69.36967	1.9
69.46832	0.4
71.01382	21.2
71.05037	0.8
72.13771	0.4
72.99297	2.0
73.02946	5.9
74.02493	0.4
75.00863	0.5
75.28807	0.4
83.01375	3.2
83.05014	0.7
85.02950	8.8
86.02448	0.5
87.00880	2.0
88.98805	0.8
89.02444	18.2
95.01395	2.0
96.96012	1.7
99.00893	1.3
99.04543	1.0
101.02441	16.1
102.05608	0.4
103.04031	0.6
107.81367	0.4
110.06104	0.6
111.00804	0.5
111.08152	0.8
113.02459	10.9
113.06097	1.3
116.92880	0.9
119.03500	6.2
119.04964	0.4
120.99641	0.4
125.02464	0.7
129.01985	0.6
131.03503	0.7
131.07150	1.0
134.27744	0.4
137.09755	0.9
143.03503	1.1
154.08640	0.6
155.10770	2.5
156.10287	0.5
157.08725	1.5
159.02965	0.8
161.04536	2.8
161.13399	0.6
163.85117	0.4
169.12277	0.4
172.09761	0.5
174.11342	8.5
179.05658	2.0
187.11299	0.5
191.14511	0.7
200.12965	0.7
205.12334	1.3
209.15540	0.9
225.11214	0.4
225.18594	1.0
229.12463	0.6
236.16513	0.7
249.11255	2.1
264.72321	0.4
336.16644	2.0
429.17493	3.4
458.24176	0.5
476.25031	0.8
530.29907	0.9
541.16382	0.5
546.26343	3.4
547.27606	8.3
572.31079	2.1
590.31812	100.0
591.22650	1.4
591.31982	7.9
596.25104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80354	0.3
59.01379	100.0
60.01717	0.3
61.98827	9.8
64.87252	0.2
67.53692	0.2
70.67540	0.7
79.89181	0.3
88.01802	0.3
97.06615	0.3
101.06102	1.1
105.11480	0.2
113.06095	0.7
117.05629	0.9
121.02959	16.5
121.19873	0.3
124.11360	0.3
171.05171	0.2
245.40401	0.3
279.23419	0.3
285.18710	0.6
287.20279	0.3
367.26025	0.3
383.25842	1.9
385.27542	2.0
395.29712	0.5
415.28580	2.6
429.10568	0.3
429.30444	0.6
439.28470	2.4
441.33679	1.6
457.29593	4.3
467.01047	0.3
469.33197	17.2
470.33698	1.1
589.27472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05373	0.4
53.86634	0.4
55.01881	1.2
57.03443	2.1
58.00586	1.1
59.01378	61.7
60.01702	0.6
61.98828	6.6
69.03453	0.4
69.36544	1.1
69.36967	1.9
69.46832	0.4
71.01382	21.2
71.05037	0.8
72.13771	0.4
72.99297	2.0
73.02946	5.9
74.02493	0.4
75.00863	0.5
75.28807	0.4
83.01375	3.2
83.05014	0.7
85.02950	8.8
86.02448	0.5
87.00880	2.0
88.98805	0.8
89.02444	18.2
95.01395	2.0
96.96012	1.7
99.00893	1.3
99.04543	1.0
101.02441	16.1
102.05608	0.4
103.04031	0.6
107.81367	0.4
110.06104	0.6
111.00804	0.5
111.08152	0.8
113.02459	10.9
113.06097	1.3
116.92880	0.9
119.03500	6.2
119.04964	0.4
120.99641	0.4
125.02464	0.7
129.01985	0.6
131.03503	0.7
131.07150	1.0
134.27744	0.4
137.09755	0.9
143.03503	1.1
154.08640	0.6
155.10770	2.5
156.10287	0.5
157.08725	1.5
159.02965	0.8
161.04536	2.8
161.13399	0.6
163.85117	0.4
169.12277	0.4
172.09761	0.5
174.11342	8.5
179.05658	2.0
187.11299	0.5
191.14511	0.7
200.12965	0.7
205.12334	1.3
209.15540	0.9
225.11214	0.4
225.18594	1.0
229.12463	0.6
236.16513	0.7
249.11255	2.1
264.72321	0.4
336.16644	2.0
429.17493	3.4
458.24176	0.5
476.25031	0.8
530.29907	0.9
541.16382	0.5
546.26343	3.4
547.27606	8.3
572.31079	2.1
590.31812	100.0
591.22650	1.4
591.31982	7.9
596.25104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63301	0.3
59.01387	2.1
61.98829	3.4
72.99298	1.7
75.00873	100.0
82.52133	0.3
88.47395	0.3
98.20635	1.2
120.58318	0.3
147.04541	0.3
152.92805	0.3
277.21799	0.7
307.02609	0.4
330.43564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01723	0.5
59.01380	3.8
60.91558	0.4
61.98828	1.1
71.53616	0.9
72.99309	1.7
75.00871	100.0
78.95890	1.5
99.04517	1.7
132.58080	0.5
147.04526	2.8
152.99614	1.2
171.10147	0.6
253.09190	0.7
268.00461	0.5
275.20135	0.7
277.21649	1.3
288.01544	0.5
293.21313	3.2
343.23322	0.5
416.34082	0.5
589.41608	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.47767	0.2
60.01720	0.4
61.48242	0.2
61.55677	0.2
61.98830	2.8
69.47755	0.2
71.01375	1.2
73.02958	0.6
83.01404	0.2
85.02942	1.0
89.02428	0.3
98.20670	0.6
99.04530	0.4
101.02453	0.7
113.02452	0.3
121.02964	0.4
130.38101	0.2
147.04521	1.1
151.13834	0.2
171.10310	0.3
209.11787	1.1
273.76260	0.2
402.24954	0.2
441.26447	0.5
473.40988	0.2
503.26410	3.4
503.32574	0.3
545.26440	0.3
545.33588	4.0
546.33447	0.4
589.25873	1.0
598.08612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46765	10.5
59.01378	62.0
61.98820	90.0
71.53654	17.8
71.60018	11.8
73.02944	16.5
78.91877	11.1
78.95921	15.7
82.42406	11.8
99.04523	15.8
101.06087	61.3
477.10468	11.5
500.05658	13.0
515.62860	12.9
531.36835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39478	0.3
59.01373	1.5
60.99304	14.0
61.52426	0.2
71.01375	1.0
81.33406	0.3
82.64923	0.3
83.50690	0.3
85.02948	0.6
88.04031	0.8
88.98802	100.0
89.99112	0.3
96.96019	0.3
98.19764	0.3
101.02457	0.5
115.00347	1.0
132.02974	1.4
149.06030	0.5
161.02451	1.0
164.07219	0.4
175.02475	0.9
193.05008	0.4
206.08232	0.4
229.56700	0.4
229.58698	0.3
233.04436	0.5
243.03258	0.3
250.07191	1.2
251.07542	0.7
271.09906	0.3
277.03412	0.5
337.05594	2.4
482.19580	0.3
499.10867	4.7
529.30438	0.3
589.10382	0.6
589.19238	0.5
607.39355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71612	0.2
57.03452	0.6
59.01381	3.3
59.23997	0.2
61.98831	100.0
71.01388	1.9
73.02946	2.2
83.01437	0.3
85.02951	4.9
89.02454	0.6
99.04526	5.5
100.04869	0.7
101.02438	0.6
103.04013	6.8
121.02944	0.3
139.07663	0.3
156.92474	0.2
259.20712	0.2
265.09293	0.6
273.22318	0.5
277.21716	4.9
278.22269	0.3
290.40268	0.2
291.23322	2.1
293.24829	1.1
316.75632	0.3
482.33823	0.4
525.30670	32.9
526.31152	1.8
529.35358	2.3
530.35669	7.6
594.01764	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39564	0.3
53.26697	0.2
55.01885	0.5
57.03453	4.2
58.00587	0.4
59.01382	9.9
60.53086	0.3
61.98818	1.0
67.00884	0.3
69.22021	2.6
71.01006	0.6
71.01379	7.2
71.05006	1.5
72.99319	0.5
73.02949	0.8
75.00871	0.3
80.65559	0.3
81.03465	2.7
83.01382	0.6
83.05027	15.9
85.02953	14.3
85.03468	0.7
87.00877	0.9
87.04533	1.0
89.02445	3.2
95.05031	1.0
96.08202	0.3
96.96033	0.7
97.02951	0.4
97.06604	0.8
99.00864	0.9
99.04533	1.9
100.92506	0.3
101.02451	2.8
101.06111	0.6
103.04015	30.2
107.05038	1.0
109.02987	0.6
111.04538	0.5
113.02449	2.8
113.06081	0.4
113.09722	1.0
114.09271	0.5
115.07654	14.5
115.86441	0.3
119.03502	1.2
121.06631	0.3
123.04539	0.4
125.02505	0.4
125.06087	3.9
126.06428	0.3
127.03996	1.6
127.11192	0.4
128.10753	0.3
132.39690	0.3
135.08116	0.3
137.09705	1.1
138.09242	0.6
139.06627	0.6
139.07657	9.2
141.05592	2.2
143.03529	0.4
145.05052	1.1
155.10641	0.3
156.10306	6.8
157.05081	0.4
157.08701	9.1
158.11867	9.8
159.08134	0.4
163.07645	2.6
179.10771	0.6
180.13948	0.5
181.08722	6.1
181.12343	7.5
183.10320	0.4
194.11905	0.5
195.10361	0.4
199.09747	4.9
199.13429	0.8
206.11826	1.0
212.16603	0.4
214.98593	0.4
223.09755	3.1
223.13290	0.4
224.12946	5.4
238.14531	0.4
242.13933	2.7
247.08107	2.1
265.09274	15.9
266.09647	0.5
266.13962	1.1
304.19275	0.6
315.59033	0.3
322.20230	13.7
323.20581	0.5
340.21277	5.5
364.21310	1.2
375.12955	1.2
382.22339	1.1
386.91199	0.3
391.86533	0.3
447.18860	0.6
490.22955	2.0
531.16064	0.3
556.24646	0.3
588.30267	100.0
589.30896	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	588.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24364	0.3
55.01876	0.3
57.03452	3.7
59.01377	8.4
61.98821	0.8
62.74174	0.2
69.22031	2.2
71.01379	7.1
71.05023	1.9
72.99283	0.7
73.02928	1.1
81.03442	2.6
83.01380	0.6
83.05025	13.8
85.02946	13.8
85.03388	0.2
87.00859	0.6
87.04522	0.5
89.02437	3.3
95.01327	0.3
95.05036	0.5
97.02924	0.6
97.06578	0.8
98.20004	0.8
98.20693	0.4
99.00891	0.3
99.04508	0.9
99.08157	0.3
101.02442	2.5
101.06084	0.4
102.02779	0.3
103.04010	29.2
107.05011	0.7
109.02957	0.6
111.04526	0.3
113.02438	2.3
113.06057	0.4
113.09702	0.8
114.09251	0.9
115.07645	12.6
119.03474	1.3
121.06583	0.5
121.65890	0.2
123.08057	0.3
125.02442	0.2
125.06071	3.6
127.03979	1.4
128.10834	0.5
128.20833	0.2
135.08176	0.4
137.09726	0.6
138.09264	0.4
139.07646	12.0
140.07120	0.3
140.10857	0.3
141.05573	2.0
145.04993	0.9
151.03975	0.3
153.09189	0.4
156.10289	8.6
157.05081	0.4
157.08696	8.9
158.11858	12.0
161.04573	0.3
161.09624	0.2
163.07649	2.5
179.10696	0.9
180.13881	0.6
180.40131	0.3
181.08701	6.6
181.12296	3.5
194.11914	0.3
199.09740	5.0
199.13344	0.6
205.08635	0.4
206.11848	1.2
212.16531	0.6
223.09764	2.2
224.12920	4.7
241.10805	0.4
242.14006	2.1
247.08253	1.7
265.09256	14.5
266.13919	1.0
304.19138	0.6
322.20200	14.9
323.20471	0.5
340.21265	5.7
364.21259	0.9
375.12888	0.8
382.22513	1.2
429.17401	0.3
447.18594	0.7
490.22961	0.9
493.61133	0.3
556.25836	0.3
588.30206	100.0
589.30902	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	588.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35819	0.6
57.03456	4.2
59.01376	13.1
61.82426	0.6
61.98819	2.4
71.01378	7.0
71.05018	2.5
73.02959	0.8
75.41225	0.5
81.03467	4.6
83.01376	0.9
83.05026	22.6
85.02950	13.0
86.02495	3.2
87.00881	0.6
87.04517	0.9
89.02443	2.8
95.05033	1.2
97.06574	2.1
99.04530	2.3
101.02448	2.8
101.06076	2.0
103.04012	26.7
111.04520	0.7
113.02447	1.6
113.06057	0.7
114.09243	0.8
115.07641	3.9
115.68709	0.6
119.03480	1.0
123.04530	0.7
125.06089	5.9
127.03987	2.3
127.11285	7.0
141.05559	5.0
142.08705	2.2
144.10274	1.1
145.05072	5.5
151.03960	0.7
153.12854	1.9
159.06642	1.4
168.71323	0.6
169.05043	4.6
169.12335	12.8
177.65399	0.5
181.12346	1.2
182.15503	2.3
184.09846	0.8
188.09290	5.9
212.09258	2.2
212.16568	3.1
224.12772	0.6
242.13969	1.0
247.08199	1.9
265.09271	9.7
278.93448	0.6
322.20261	2.0
340.21255	3.4
364.21469	1.1
375.13052	1.7
382.22327	2.2
410.76779	0.6
436.18130	0.9
490.22787	1.7
554.82556	0.7
588.30237	100.0
589.30829	6.8
609.04047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
59.01379	100.0
60.01709	0.6
61.98827	2.3
70.74818	0.8
84.36682	0.2
85.02962	0.8
97.06602	0.2
99.04523	0.9
101.02470	0.7
120.30233	0.3
121.02997	0.6
147.04538	0.5
195.97417	0.3
209.11885	0.5
485.32916	0.6
487.27972	0.3
587.20502	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51278	0.7
57.21988	0.5
58.00587	0.7
59.01388	3.4
61.98820	1.8
65.95925	0.6
69.03457	0.6
71.01384	3.0
73.02948	23.9
82.37430	0.5
83.05012	2.1
84.22412	0.6
85.02951	0.6
87.36819	0.6
87.55540	0.5
88.32079	0.6
96.43528	0.6
97.03007	0.8
97.06618	3.0
98.19854	1.2
98.20538	3.5
99.04519	47.8
128.74693	0.5
147.04527	1.3
151.11311	0.7
159.08519	0.8
165.05545	1.6
213.52026	0.6
215.90700	0.6
310.24774	0.7
343.26703	0.7
359.29733	1.0
369.28043	1.6
381.28040	1.3
387.29031	4.5
387.72955	0.6
399.28796	1.4
401.30826	0.9
417.29990	1.2
437.30634	2.0
451.32098	1.9
455.31473	1.1
469.33392	2.3
481.33353	4.7
499.34387	2.4
511.34451	1.9
529.35321	100.0
530.35809	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	587.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01727	0.5
61.46517	0.2
61.98833	2.0
70.20179	0.2
71.01402	0.4
97.06566	0.3
98.20645	0.6
99.04520	3.8
101.06105	1.1
121.02930	0.3
147.04527	0.3
211.13388	0.5
212.54967	0.2
291.19724	1.2
395.89874	0.3
403.25058	0.3
419.25690	0.3
467.27682	0.5
469.44159	0.3
485.29013	1.4
527.30115	0.4
564.54181	0.3
587.32465	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01728	0.5
61.98832	1.6
69.93073	0.7
69.93459	0.7
71.01361	0.7
82.91479	0.3
85.02992	0.3
95.05042	0.3
97.06605	1.3
98.20061	0.4
98.20588	0.5
99.04552	1.2
101.06084	1.2
103.05511	0.6
117.05582	0.5
119.05038	0.5
121.02968	0.5
137.28714	0.3
147.04521	26.5
148.04865	0.9
157.13376	0.3
193.12268	0.4
199.11282	0.7
211.13406	1.2
225.09138	0.4
243.10103	0.4
253.09238	1.3
277.21857	0.5
291.19659	4.8
439.21259	0.7
562.52271	0.4
587.26361	25.8
588.26788	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	587.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16421	0.4
55.01872	1.9
57.03447	2.0
59.01377	100.0
61.98832	1.1
67.02135	0.5
70.40257	1.0
70.40623	1.1
71.01380	28.0
72.99325	1.1
73.02946	7.8
83.01382	3.5
85.02949	14.5
87.00874	0.7
89.02435	5.4
89.61166	0.5
91.25060	0.4
95.01368	2.3
96.96018	1.7
97.02979	1.5
99.00883	3.3
101.02440	17.9
102.02751	0.5
113.02450	13.2
115.00388	0.5
119.03487	1.2
119.05075	1.2
125.02379	0.6
129.01978	1.3
131.03529	0.5
134.03754	4.1
135.04654	0.5
137.02425	1.0
143.03549	2.1
147.03038	1.0
149.02441	1.0
149.06129	1.3
150.03192	2.9
159.02985	3.5
161.04550	25.7
165.05524	4.6
178.02759	2.3
179.05664	1.4
193.05064	8.8
195.06512	2.3
255.06645	0.7
273.12759	0.5
289.18375	0.6
302.14166	0.5
347.22382	1.0
365.23236	6.6
365.27213	0.6
367.13373	0.6
389.12381	3.4
409.22177	1.0
527.28583	38.4
528.29071	2.7
551.18024	1.7
587.31207	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01721	0.4
61.98833	0.4
63.04067	0.3
68.26794	0.3
68.99814	0.5
79.89175	0.3
95.50262	0.3
99.04540	1.0
105.01914	1.4
109.06673	0.3
120.84476	0.3
121.02958	12.2
137.73654	0.3
145.02925	0.4
147.04538	0.3
148.47029	0.4
185.50993	0.3
208.04201	0.3
293.21323	0.3
527.30670	0.3
587.26440	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.8
61.98838	0.4
70.71503	0.6
76.54385	0.1
78.17768	0.2
85.02942	1.0
99.04559	0.2
103.05536	2.5
119.05006	0.9
125.27645	0.2
139.30415	0.2
147.04520	100.0
148.04858	2.1
165.41791	0.2
172.66447	0.2
243.66475	0.2
457.22101	0.4
587.26459	7.3
588.26807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20403	0.7
53.18482	0.6
54.40399	0.6
57.03447	1.4
58.00591	1.5
59.01377	17.9
69.14977	3.6
69.15404	2.6
71.01380	9.0
85.02945	10.7
86.56784	0.6
87.00890	0.8
89.02440	10.2
92.59699	0.5
95.01317	0.9
101.02441	7.4
103.04008	20.7
103.11024	0.5
104.04362	0.6
113.02466	3.5
117.05552	0.8
119.03479	4.0
145.05043	0.7
180.37224	0.6
213.60011	0.6
265.09274	100.0
266.09668	1.8
492.94336	0.8
550.23657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
58.00591	0.7
59.01379	16.8
60.16448	0.3
69.67720	1.7
71.01014	0.6
71.01380	8.2
72.99299	0.7
73.02933	0.4
85.02947	10.5
87.00892	0.6
89.02444	11.7
95.01378	0.4
95.72979	0.3
101.02437	6.9
103.04010	19.3
113.02457	4.4
117.05553	0.3
119.03504	4.4
131.03500	0.4
145.05043	0.9
161.04530	0.7
165.51028	0.4
179.05620	0.7
265.09268	100.0
266.09573	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	586.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51434	0.1
55.25654	0.1
59.01376	0.9
61.98829	100.0
71.01398	0.3
71.54139	0.2
73.02959	0.2
85.02959	0.3
86.95585	0.1
88.98824	0.2
89.02441	0.3
99.04543	0.5
101.02458	0.2
112.98589	0.1
113.02390	0.2
121.14574	0.1
122.06174	0.1
150.90910	0.1
166.00424	0.1
473.21884	0.5
555.26013	0.4
586.28796	0.4
587.26660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
59.01379	1.2
61.98829	100.0
62.98544	0.2
63.99256	0.6
71.01392	0.3
71.54833	0.2
73.02942	0.2
77.41198	0.2
85.02951	0.2
96.96011	0.2
101.02448	0.4
143.50905	0.2
161.04636	0.2
180.68762	0.2
241.07680	0.2
272.44061	0.2
418.56009	0.2
587.25110	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37782	0.2
56.57433	0.2
59.01376	6.4
61.98818	0.8
69.18064	2.1
71.54042	0.2
75.29244	0.2
78.95896	0.4
88.98818	0.2
93.03469	1.0
115.07632	2.5
117.03414	0.2
118.03153	0.2
119.05023	100.0
120.05364	1.9
120.27236	0.2
127.09824	0.2
133.06563	0.2
147.04556	0.2
159.56232	0.2
163.04004	82.1
164.04308	1.7
171.10362	0.3
188.34679	0.2
205.05000	0.2
269.57230	0.2
277.21722	1.5
334.97192	0.2
361.21051	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86309	0.8
59.01381	42.1
60.12668	0.7
61.98839	2.9
71.01363	0.9
71.52192	1.4
72.86476	0.7
83.05045	0.8
85.02953	0.9
99.00888	0.8
99.03848	1.1
99.04519	57.6
101.06084	100.0
115.04005	2.0
121.02946	10.8
125.09704	2.4
147.04532	21.5
171.10204	1.0
187.09732	1.2
211.13225	1.6
225.11026	0.8
227.10770	2.4
292.06287	0.7
309.14871	2.3
330.13214	0.8
349.18048	1.4
359.16556	1.3
368.00821	0.9
375.19449	2.6
381.20587	2.1
407.21826	1.4
415.23523	1.0
437.19214	1.1
441.22842	24.9
459.23135	1.3
463.20950	2.3
525.28528	61.0
526.28436	3.3
543.29535	10.0
585.24475	38.7
586.25085	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	585.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88113	0.3
59.01375	5.7
61.98824	1.1
66.66990	0.3
71.52614	0.4
74.60760	0.3
79.05534	2.2
83.05023	1.0
92.65263	0.3
93.03455	0.5
95.05030	0.7
99.04510	2.2
101.06079	98.5
101.16808	0.3
102.06403	0.9
109.06576	0.4
110.81205	0.3
121.06573	0.4
123.04491	0.3
125.06059	0.7
125.09799	0.4
140.72807	0.3
145.06583	0.6
147.04530	0.9
160.05302	0.3
161.09718	0.7
185.09700	0.7
187.07643	1.3
191.10759	0.4
207.10315	0.3
215.07211	0.4
227.10712	0.7
244.11075	0.7
265.12366	0.7
283.13321	1.1
283.73380	0.4
291.13907	1.2
303.16013	0.7
309.14920	3.4
327.16068	0.4
441.22867	2.1
443.20581	0.7
459.23773	1.1
525.28394	0.5
543.29590	100.0
544.29980	6.9
553.24701	0.6
585.24274	1.3
585.31842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43396	0.6
53.47556	0.7
59.01381	18.0
59.19759	0.6
60.99308	14.9
61.98832	9.8
71.01391	2.9
71.08843	0.9
71.09182	1.3
73.02919	0.9
75.68955	0.6
79.05509	0.9
81.03474	0.9
83.01402	0.7
83.05022	1.8
85.02952	92.3
86.03283	0.9
87.00880	1.4
87.04520	1.4
88.00386	1.1
88.98808	100.0
89.02445	13.1
96.96016	1.1
99.00896	2.8
99.04520	11.4
101.02450	1.6
107.05052	0.7
109.06580	1.0
111.04469	0.7
121.02944	2.0
121.06596	0.9
133.06558	0.9
147.04533	11.4
147.08157	1.7
159.08038	1.1
161.06090	0.9
173.06073	1.2
176.23335	0.7
177.69456	0.6
187.11153	0.7
189.09230	2.3
213.09261	0.9
225.12810	0.7
225.73090	0.6
241.08765	0.8
284.92007	0.8
425.23691	1.0
437.19250	1.0
439.21341	1.9
443.24377	1.7
451.19464	0.7
451.24741	4.6
469.26013	3.0
481.26422	4.9
485.21991	0.9
499.27060	8.9
501.23410	1.1
503.22537	1.0
525.24524	1.0
543.25952	35.1
544.26385	2.6
553.24677	1.1
557.25159	0.9
567.25037	0.9
585.26660	41.1
586.26581	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	585.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06601	0.6
55.01872	1.9
56.30818	0.6
57.03467	1.3
58.00578	1.9
59.01377	68.9
61.98833	5.7
69.53050	1.4
69.53455	2.4
71.01381	37.5
72.01722	0.6
72.99306	2.0
73.02941	5.5
75.00868	0.8
77.05633	0.5
83.01399	3.0
85.02949	11.9
86.70250	0.6
87.00875	17.0
89.02441	34.2
95.01384	3.3
99.00880	1.8
101.02437	28.1
111.00862	2.2
113.01726	1.2
113.02455	15.9
119.03499	16.1
121.02924	0.7
123.04472	0.8
125.02521	1.0
128.31877	0.6
129.01941	3.5
131.03479	1.7
134.03722	3.8
134.48265	0.6
141.85054	0.6
143.03491	3.1
149.04539	1.2
149.06052	1.5
150.03186	1.5
151.03990	1.0
159.02965	2.0
161.04553	11.8
178.02728	2.2
179.05612	10.1
179.45958	0.6
193.05020	5.7
255.13831	1.0
271.17056	0.9
285.14938	1.1
285.18436	0.8
297.18588	3.0
301.18207	1.6
315.19617	4.7
327.19662	0.6
333.20645	3.1
337.51096	0.6
345.20767	3.0
363.21930	4.9
435.24094	1.5
525.27026	100.0
526.27466	7.1
567.18713	1.1
585.27679	1.7
586.30719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2707
Annotation	Yuanhuadine
Peak:m/z	Relative Intensity
53.26660	0.5
57.03432	0.6
59.01378	23.5
59.75518	0.5
61.98831	5.7
69.45424	1.3
69.45848	2.4
71.01379	1.1
74.35519	0.5
83.05028	0.7
85.02952	88.9
86.03288	1.4
97.02985	0.7
97.06626	0.6
99.04522	21.3
100.04840	0.6
109.02993	0.8
111.04544	0.5
113.06146	0.6
123.04548	3.2
139.51532	0.5
145.06607	1.4
147.04506	3.6
161.06087	1.2
163.07776	0.6
175.11266	0.5
199.11223	0.9
217.12436	1.2
343.25189	0.5
347.20078	0.8
351.19669	0.6
413.23264	6.1
439.21494	0.6
443.24353	4.1
461.25311	1.9
525.25964	4.4
525.27924	4.4
542.28833	0.6
543.25848	48.3
544.26892	3.3
553.24408	1.6
585.27008	100.0
586.27362	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2705
Annotation	Yuanhuadine
Peak:m/z	Relative Intensity
57.03429	1.7
59.01380	18.0
60.99311	1.9
61.98829	11.1
69.03455	1.6
71.01388	8.5
71.54482	1.9
73.02947	5.0
75.66233	1.1
79.05539	1.4
81.03466	1.1
83.05038	6.9
85.02950	100.0
86.74266	1.3
87.00874	10.8
87.04503	2.6
88.98808	3.1
89.02453	2.0
95.05022	1.3
96.96025	2.1
97.02943	2.5
97.06612	1.2
99.04515	72.9
104.48493	1.2
105.07093	1.4
107.05070	2.5
109.06615	2.1
111.04539	1.6
113.02444	1.9
119.05042	2.3
121.02969	1.4
121.06631	1.3
122.86615	1.4
123.04603	1.8
125.02472	1.8
125.06117	1.6
127.04055	3.9
133.06602	9.6
135.04565	1.6
135.08130	1.7
137.06123	2.0
147.04517	24.5
149.06114	3.2
155.08794	1.4
159.08115	2.3
160.05215	1.1
161.06161	1.6
161.09770	1.7
167.07124	1.8
171.08075	1.3
173.09718	1.8
184.08925	2.4
185.09769	2.8
187.07710	2.1
187.11284	1.5
189.09286	2.7
213.09352	1.9
225.12906	3.1
243.14064	1.5
251.14586	1.4
353.17807	2.3
371.18787	2.0
379.19168	2.8
383.18787	1.5
409.19931	1.8
427.21255	12.5
437.19769	2.2
445.22095	7.5
455.20700	1.4
471.20123	18.1
499.27292	3.6
503.22894	37.2
504.23438	3.1
509.26599	5.6
523.23962	2.6
525.30847	3.5
541.24133	13.2
543.26233	7.9
553.24469	12.1
585.26556	89.8
586.26569	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.27
Annotation	Yuanhuadine
Peak:m/z	Relative Intensity
57.14103	0.2
59.01377	12.3
61.98823	1.0
71.01375	0.7
83.05035	1.2
85.02948	75.4
86.03304	0.7
87.04500	0.7
97.06577	0.7
99.04529	1.2
107.05020	0.4
112.98536	0.2
119.05004	0.3
121.06544	0.3
123.04523	1.8
125.06034	0.7
133.06586	0.4
135.08217	0.3
145.06602	1.3
147.04523	1.1
147.08154	0.7
149.09743	0.3
160.05299	1.0
161.06081	1.1
163.07704	0.3
171.08226	0.3
187.07657	0.5
189.09216	0.5
189.84538	0.3
199.11249	1.5
200.08298	0.3
215.07133	0.3
215.10779	0.6
217.12329	0.7
230.09470	0.5
243.10277	1.1
249.49197	0.3
295.15506	0.7
321.18692	0.3
347.20004	0.3
411.21979	0.4
413.23364	3.2
415.24927	1.9
429.23019	1.3
430.23203	0.3
439.21121	0.6
457.21494	0.3
481.25983	0.6
499.27170	1.1
525.24927	10.6
526.25159	0.8
543.25946	25.0
544.26465	1.3
553.24689	0.3
585.27002	100.0
586.27289	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	585.2705
Annotation	Yuanhuadine
Peak:m/z	Relative Intensity
51.71557	0.4
57.03441	0.4
59.01377	10.9
61.98840	2.0
69.08811	0.4
71.01377	0.7
83.05016	1.1
85.02949	82.1
86.03278	0.7
98.20310	2.9
99.04520	6.9
125.06062	0.7
131.08693	0.4
144.95714	0.4
145.06587	1.7
147.04468	0.8
147.08147	0.8
171.08183	1.2
173.09727	0.5
173.56720	0.4
185.09631	0.6
189.09171	0.4
199.11304	1.2
216.98790	0.4
243.10358	0.5
267.14011	0.5
295.15491	0.5
373.23926	0.5
399.21701	1.2
413.23334	4.2
481.25998	2.2
499.26990	1.8
501.24368	0.5
525.24951	5.4
541.29089	0.6
543.25934	23.4
544.26294	1.6
567.25684	0.6
585.27032	100.0
586.27490	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	585.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05987	0.4
50.13220	0.4
50.56475	0.3
53.18446	0.3
55.01885	0.4
57.03447	1.2
59.01378	16.6
61.70246	0.4
66.25265	0.4
69.56585	2.7
70.94869	0.4
71.01385	8.3
72.99319	0.7
78.09164	0.4
85.02951	11.7
89.02446	9.8
94.87586	0.4
95.01393	0.6
98.19958	0.7
101.02446	6.6
102.40402	0.4
103.04011	17.9
113.02465	3.8
119.03497	4.3
143.03513	0.6
145.05037	0.7
150.73001	0.4
159.33482	0.4
161.04472	0.5
179.05598	0.8
221.28165	0.4
265.09277	100.0
266.09616	2.6
299.92636	0.5
359.53442	0.4
393.60931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
57.03449	13.8
59.01375	8.1
60.10913	1.1
71.01372	5.0
71.53645	1.1
72.99307	2.7
73.02946	1.2
75.00876	3.7
75.55450	0.9
83.01391	3.5
84.02169	1.5
85.02946	100.0
86.03315	1.1
87.00862	1.8
89.02425	1.0
96.96005	15.1
98.64297	0.9
101.02445	3.1
103.00411	1.2
107.49460	1.0
109.89741	1.0
111.00878	5.9
111.57232	0.9
115.00356	1.8
120.99651	2.3
121.02937	6.7
129.01930	9.1
139.07623	3.5
147.02988	23.5
148.03224	1.3
150.03207	1.9
165.01869	1.3
165.05530	2.8
173.00871	2.5
178.83687	0.9
179.10641	1.4
191.01971	39.8
195.06689	1.7
227.12872	1.1
271.11942	7.3
276.28928	1.1
277.49042	1.0
295.04587	2.4
313.05649	29.9
313.09286	1.6
315.20209	1.2
317.12628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
56.77988	0.3
57.03448	12.9
59.01106	0.6
59.01379	7.1
61.98829	0.8
63.88207	0.3
68.99825	0.8
70.65601	0.7
70.65973	0.6
71.01376	3.7
72.18936	0.3
72.99298	1.2
73.02950	0.6
75.00867	1.7
79.95733	0.9
83.01382	2.6
84.02151	1.9
85.02949	100.0
86.03291	1.0
87.00888	1.4
89.02464	0.7
96.96004	4.0
99.00880	0.6
101.02438	0.7
101.89652	0.4
103.00348	1.3
111.00884	3.1
113.02444	0.5
115.00353	1.0
119.05022	8.0
120.99656	1.3
121.02981	0.7
123.04546	0.4
128.03523	0.3
129.01953	10.8
131.15422	0.4
133.02954	0.6
135.04526	2.7
147.02994	26.9
148.03226	0.3
150.03197	2.4
153.01906	0.4
153.05600	0.6
161.02444	4.0
163.03954	0.5
163.36317	0.4
165.05550	2.6
166.99857	0.3
173.00917	2.0
175.04102	0.4
179.03458	1.1
180.04280	0.5
181.05003	0.4
182.02184	1.2
191.01968	34.6
192.02348	0.8
193.05043	0.7
195.06621	1.0
197.04498	2.0
199.00702	4.3
215.00194	1.5
225.07655	0.5
242.99666	1.1
323.07965	0.4
393.12103	0.7
423.04205	1.1
453.85925	0.4
527.60217	0.4
585.09052	3.0
585.15759	1.7
585.23883	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
56.77988	0.3
57.03448	12.9
59.01106	0.6
59.01379	7.1
61.98829	0.8
63.88207	0.3
68.99825	0.8
70.65601	0.7
70.65973	0.6
71.01376	3.7
72.18936	0.3
72.99298	1.2
73.02950	0.6
75.00867	1.7
79.95733	0.9
83.01382	2.6
84.02151	1.9
85.02949	100.0
86.03291	1.0
87.00888	1.4
89.02464	0.7
96.96004	4.0
99.00880	0.6
101.02438	0.7
101.89652	0.4
103.00348	1.3
111.00884	3.1
113.02444	0.5
115.00353	1.0
119.05022	8.0
120.99656	1.3
121.02981	0.7
123.04546	0.4
128.03523	0.3
129.01953	10.8
131.15422	0.4
133.02954	0.6
135.04526	2.7
147.02994	26.9
148.03226	0.3
150.03197	2.4
153.01906	0.4
153.05600	0.6
161.02444	4.0
163.03954	0.5
163.36317	0.4
165.05550	2.6
166.99857	0.3
173.00917	2.0
175.04102	0.4
179.03458	1.1
180.04280	0.5
181.05003	0.4
182.02184	1.2
191.01968	34.6
192.02348	0.8
193.05043	0.7
195.06621	1.0
197.04498	2.0
199.00702	4.3
215.00194	1.5
225.07655	0.5
242.99666	1.1
323.07965	0.4
393.12103	0.7
423.04205	1.1
453.85925	0.4
527.60217	0.4
585.09052	3.0
585.15759	1.7
585.23883	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
55.29192	0.3
55.58761	0.4
57.01117	0.3
57.03159	0.7
57.03445	12.7
59.01377	5.3
59.66440	0.3
61.98817	0.9
66.75938	0.3
68.99825	0.8
69.82203	1.6
71.01391	3.6
72.99302	0.9
73.02935	0.4
75.00873	1.8
75.50606	0.3
79.95732	1.1
83.01373	2.7
84.02172	2.6
85.02950	100.0
86.03287	0.8
87.00861	1.3
88.98789	0.3
89.02431	0.8
89.31295	0.3
95.01367	0.5
96.96008	3.8
98.78235	0.3
101.02443	1.1
103.00380	1.1
111.00874	4.1
113.02477	0.6
114.25488	0.3
115.00343	0.8
119.03628	0.4
119.05034	6.7
120.99651	2.0
121.02962	0.7
122.18657	0.3
123.00929	0.4
125.02415	0.3
129.01945	10.3
133.02951	0.7
134.03766	0.5
135.04526	3.2
138.03259	0.4
145.01500	0.3
147.02991	24.9
148.03310	0.4
149.02496	0.4
149.06052	0.4
150.03169	1.7
153.05557	0.4
161.02438	3.3
162.12276	0.3
165.05577	2.8
173.00899	2.0
174.01619	0.6
178.02644	0.4
179.03493	1.0
181.05095	0.9
182.02196	1.1
191.01970	33.1
193.05074	0.9
195.06590	1.7
197.04552	2.3
199.00667	4.6
215.00186	2.4
242.99649	1.0
381.10699	0.4
393.11847	0.6
423.03906	0.8
474.39029	0.3
525.16040	0.6
585.09192	3.0
585.16205	1.2
585.24225	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.2
59.01381	1.5
61.98829	100.0
69.60849	0.6
69.61266	0.2
71.01386	0.6
71.53484	0.1
73.02956	0.2
85.02965	0.4
88.98812	0.1
89.02448	0.4
96.96026	0.4
101.02457	0.4
109.02985	0.1
113.02464	0.2
116.92862	0.2
119.05021	0.3
121.87160	0.1
129.01996	0.2
137.57413	0.1
147.04587	0.2
163.03963	0.2
194.79738	0.1
199.10027	0.1
265.09338	0.2
301.54816	0.2
373.73373	0.1
451.68964	0.2
524.35419	0.7
584.24121	0.3
585.23676	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05143	0.2
59.01376	0.7
61.98829	100.0
62.98541	0.2
71.01393	0.3
85.02976	0.1
98.20765	0.2
117.33502	0.1
120.44414	0.1
134.06116	0.2
139.45110	0.1
148.04030	0.3
162.05606	0.1
316.41531	0.1
320.47327	0.1
524.35468	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96070	0.8
57.03443	2.7
58.75003	0.8
59.01377	10.7
61.98829	88.9
68.84428	0.8
69.16497	7.1
69.16901	1.3
71.01386	4.3
71.05019	2.3
73.02947	1.5
75.00841	0.8
83.01434	1.0
85.02951	11.3
87.00859	0.9
89.02414	1.5
96.95979	0.9
99.08169	1.1
101.02467	3.0
103.04009	16.9
105.92973	0.8
107.08169	0.7
113.02457	1.7
119.03554	1.0
121.02978	8.1
122.03310	2.3
127.11281	1.5
143.10794	8.4
195.39742	0.8
265.09238	4.6
273.20700	20.4
287.22052	1.1
297.20724	13.6
521.29572	100.0
522.30261	6.4
543.25854	1.9
584.23938	1.0
585.27496	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	584.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.4
59.01382	5.6
61.98828	100.0
71.01386	3.1
71.02837	1.6
73.02943	1.1
74.44514	0.8
81.00830	0.7
85.02953	8.1
85.06606	0.8
101.02474	1.5
103.04004	14.6
112.12593	0.9
116.92793	0.9
127.11301	1.8
130.41560	0.7
143.10759	4.9
151.85577	0.8
224.32570	0.8
265.09354	3.2
273.20691	16.1
273.23489	1.2
287.22153	1.6
297.20728	12.1
315.22055	1.1
422.22858	0.8
521.29657	79.4
522.29968	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	584.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08121	1.0
56.15176	1.0
59.01377	15.5
61.98830	87.6
62.02383	1.0
69.19520	5.6
69.19939	4.0
71.01370	4.8
71.05003	1.5
85.02950	15.9
89.02461	1.2
96.95995	2.2
98.20496	4.8
99.04492	3.2
99.08158	2.1
101.02441	1.7
103.04012	21.7
110.08265	1.1
113.02440	1.8
116.92776	1.2
119.03473	1.5
120.81725	1.1
121.02935	2.5
143.10757	6.7
161.04552	1.1
195.22800	1.2
212.50537	1.1
247.08202	1.1
265.09268	4.9
273.20694	20.7
275.38345	1.1
297.20660	15.0
444.43509	1.2
521.29462	100.0
522.29333	5.8
542.27289	3.0
584.28986	5.2
585.27026	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	584.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.1
58.00597	1.1
58.83092	1.0
59.01379	13.9
61.98827	100.0
63.68362	1.1
71.01374	6.0
72.99325	1.5
82.00336	1.0
85.02950	13.0
87.00902	1.1
88.98801	5.6
89.02447	2.2
96.96011	1.8
98.20275	7.4
99.04537	6.1
101.02440	2.8
103.04002	13.8
113.02400	1.7
122.06051	1.6
127.11268	1.3
143.10840	6.4
193.05072	1.0
199.26358	1.2
264.89490	1.1
265.09174	4.0
273.20715	14.8
287.22192	4.3
297.20682	10.8
315.21875	1.5
427.21167	2.1
445.22363	2.7
468.87485	1.1
514.24506	1.2
521.29626	89.4
522.29834	4.3
584.26117	3.9
585.26984	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	583.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
57.03454	1.3
58.00587	1.5
59.01066	1.9
59.01375	50.1
61.98828	100.0
69.20380	9.0
71.01378	30.6
72.99311	2.1
73.02949	7.0
83.01389	2.5
85.02946	12.6
88.98791	1.1
89.02436	18.5
89.15949	0.9
95.01383	2.1
96.96008	1.4
97.06590	0.9
98.20771	1.5
99.00880	1.8
101.02440	17.0
107.05033	1.0
113.02449	10.3
119.03477	7.2
120.44387	0.9
125.02377	1.3
131.03502	1.0
143.03514	1.3
147.04480	1.2
150.03221	1.7
161.04536	4.0
165.05559	1.8
179.05637	3.5
195.06621	1.0
265.09265	1.0
361.29568	20.0
362.29709	1.2
523.34827	97.5
524.35138	6.8
565.22711	1.1
583.26447	1.2
583.36102	1.2
584.28455	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	583.2909
Annotation	CHEBI:67294
Peak:m/z	Relative Intensity
57.03439	0.5
59.01110	0.9
59.01384	11.7
60.67941	0.5
61.98824	1.6
67.01887	0.6
69.03455	4.0
70.35972	2.0
71.01385	7.6
71.05017	3.1
73.02939	0.6
82.96102	0.5
83.05018	0.6
85.02944	0.7
85.06620	0.7
87.04520	0.6
93.03465	0.6
93.75865	0.5
95.05057	0.7
97.06590	4.2
99.04519	100.0
100.04839	1.3
100.84270	0.5
101.06097	1.5
113.06105	3.6
121.02927	1.2
123.08129	0.6
124.28398	0.5
127.07607	0.8
137.06050	0.6
139.07646	1.9
141.09233	3.3
149.09752	0.6
151.07652	0.7
167.10770	1.1
175.11293	0.5
181.08708	0.5
181.12347	1.3
189.01080	0.5
201.12834	0.6
231.13860	0.9
299.16498	1.6
325.21677	9.0
326.22345	0.7
335.20288	0.7
353.21298	2.8
369.24463	1.2
371.22247	2.0
379.22916	0.9
381.20404	0.6
383.22363	3.8
397.24091	2.8
409.20013	0.7
415.24872	57.3
416.25076	3.6
425.23184	2.3
425.27963	0.9
427.24759	0.9
441.22815	0.9
443.24402	1.1
453.26456	1.8
455.23434	0.6
457.25745	3.2
461.26840	0.9
479.28162	1.7
497.29047	23.4
497.36273	1.1
498.29547	2.2
539.30145	1.8
541.27850	2.7
583.29089	37.7
584.29413	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	583.2909
Annotation	Euphornin
Peak:m/z	Relative Intensity
51.49360	0.3
57.52865	0.3
59.01377	3.1
67.01883	0.4
71.01384	0.5
79.05528	2.2
83.05022	1.0
95.05017	0.9
97.06601	0.4
98.20427	2.1
99.04519	76.3
100.04848	1.0
101.06026	0.5
119.16180	0.4
125.06085	0.5
145.06660	0.4
147.08118	0.5
160.05367	0.4
161.09749	0.5
163.07646	0.4
185.09721	1.0
187.07611	1.1
201.09262	0.5
227.10751	0.4
265.12238	1.1
283.13358	0.9
291.13727	0.9
301.14566	0.6
309.14853	2.7
327.16000	0.4
398.89584	0.4
441.22656	1.1
443.20926	0.5
459.23886	3.9
521.55817	0.4
523.26563	0.5
539.26581	0.6
541.28046	100.0
542.28479	7.8
583.29401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13616	0.5
59.01379	12.0
61.98833	1.0
62.98937	0.5
66.16952	0.5
67.01885	1.4
67.09278	0.5
69.03457	3.9
71.01382	8.7
71.05032	3.4
73.02946	0.7
83.05022	0.6
85.02940	0.5
85.06569	0.7
93.03451	0.4
97.06607	4.7
99.04521	100.0
100.04842	1.3
101.06078	1.0
111.04482	0.5
111.08133	0.6
113.06091	4.0
121.02939	1.1
123.08129	0.9
127.17250	0.4
133.45618	0.5
135.08224	0.4
137.09767	0.5
139.07677	2.2
141.09216	3.3
147.08162	0.8
148.68692	0.4
151.07608	0.6
151.11322	0.5
151.73363	0.4
161.09700	0.7
163.11276	0.6
165.09099	0.5
167.10783	0.9
181.12292	1.8
193.12364	0.6
194.89319	0.5
201.12746	0.6
215.10808	0.5
231.13783	0.6
255.17390	0.6
281.19119	0.5
296.56662	0.5
299.16486	1.6
300.31384	0.4
309.22244	0.7
325.21661	8.1
335.20090	0.6
341.21277	1.2
343.22748	0.6
345.20880	0.6
353.21240	2.0
367.18732	0.5
369.24124	1.0
371.22232	2.2
379.22629	1.8
381.20322	0.6
383.22342	3.4
397.19427	0.6
397.23846	1.9
407.26007	0.6
415.24902	53.8
416.25070	2.3
425.22327	2.2
425.27853	1.1
427.24921	1.0
441.22946	0.8
453.26410	1.1
457.25848	3.6
459.23798	0.9
469.29526	0.5
479.27869	1.4
497.29123	25.0
498.29483	1.4
523.27020	0.6
539.29901	1.7
541.28046	20.9
542.28613	0.8
583.29083	38.1
584.29071	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	583.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
58.42826	0.3
59.01379	1.7
59.69516	0.3
61.98845	0.7
69.03446	0.3
69.25978	2.7
71.01385	1.2
73.02950	0.4
81.03452	0.4
85.02943	1.6
89.02470	0.5
91.85563	0.3
97.02961	0.3
101.02454	0.6
109.02957	2.3
111.04514	0.3
113.02431	0.6
117.50880	0.3
119.04949	0.3
119.49372	0.3
121.02953	0.4
123.00932	0.4
123.04527	0.4
124.01656	2.6
125.02438	4.2
126.00847	0.3
127.08543	0.3
135.04521	0.4
136.01654	0.6
137.02440	12.1
138.03247	4.8
139.04021	6.0
147.04506	0.3
149.02431	0.6
149.06140	0.3
150.03186	1.2
151.04012	4.9
152.04785	3.8
153.05574	1.0
154.33299	0.3
159.04536	0.5
162.03258	0.8
163.04025	1.5
164.04776	1.0
165.05522	1.9
166.02713	0.7
166.06267	0.5
170.02139	0.7
175.03964	1.0
176.04778	1.7
177.05565	3.7
178.06209	0.4
179.03490	1.2
179.07132	0.4
180.04282	4.2
181.05060	8.0
184.03777	1.3
189.05597	0.4
190.06316	0.6
191.01956	0.3
191.07118	0.8
193.05013	0.6
194.05850	3.5
195.06622	16.2
196.06956	0.5
205.05006	0.4
206.05824	0.7
207.06584	2.6
208.07370	0.7
209.08182	3.5
221.08180	0.7
236.07118	0.4
237.07739	0.7
238.08588	0.4
253.10782	0.8
254.31946	0.3
255.11766	0.3
272.95142	0.3
328.22729	0.3
343.11719	0.8
357.82709	0.3
361.12912	4.3
373.12799	0.6
375.14590	2.0
391.13965	9.8
392.14105	0.5
405.15482	0.6
406.16296	15.8
407.16562	0.7
421.18674	100.0
422.18985	5.1
583.22894	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61251	0.3
55.21209	0.2
56.40976	0.2
59.01365	0.9
61.98830	100.0
81.18913	0.2
85.91678	0.3
98.20702	0.4
99.04510	2.7
99.05087	0.3
121.02988	0.4
130.97525	0.3
235.36908	0.2
310.61826	0.3
469.05527	0.3
541.27820	2.4
582.27979	0.7
583.29034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16008	1.4
52.59587	1.4
59.01383	21.6
59.30319	1.3
61.98833	10.4
71.01388	2.8
73.02935	10.1
83.05022	2.8
85.02947	11.0
97.06606	8.1
99.04519	7.5
121.02941	8.5
121.06563	1.6
135.04532	2.4
161.06010	1.5
172.08945	1.5
183.13861	2.6
201.12923	2.3
229.12376	2.5
347.25897	1.7
371.25797	4.1
375.28943	2.1
385.27374	4.3
389.26929	4.9
403.28262	9.2
415.28607	3.0
433.29428	1.9
445.29501	2.8
463.30673	100.0
464.30887	3.8
483.23676	1.9
495.23557	3.1
497.23227	2.1
505.21408	2.0
521.34906	5.8
537.24982	2.7
539.26532	1.6
563.26593	1.5
581.23596	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	581.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73667	1.2
51.30108	1.3
52.85906	1.2
56.35339	1.3
57.25047	1.3
58.00597	2.6
59.01379	51.3
69.03443	2.5
70.26076	5.0
71.01384	43.6
72.99306	3.6
73.02944	12.4
78.98583	4.1
79.95744	9.2
80.96519	55.2
83.01376	4.3
85.02954	10.1
87.00876	5.0
89.02457	17.4
94.98096	12.5
95.01376	2.1
96.95988	1.7
97.83075	1.5
98.19936	1.5
101.02447	18.2
106.98083	2.6
111.08147	1.3
112.98470	1.9
113.02440	9.1
113.09718	3.9
119.03487	3.6
122.97562	4.3
125.02467	2.7
125.06165	1.5
127.07588	1.6
134.97569	3.7
139.07631	4.1
141.09221	16.0
148.99139	3.2
152.98642	5.7
159.10263	6.5
164.98662	8.4
206.99663	3.5
225.00760	14.6
235.72261	1.5
243.01692	2.2
255.21211	2.4
259.20648	1.6
263.23816	2.1
273.22375	7.4
277.21725	72.1
278.22018	3.7
283.26483	3.0
291.23285	63.4
292.23782	3.1
301.21686	6.0
303.14441	13.8
319.22821	21.1
321.15536	44.6
331.22693	2.1
335.22128	1.7
349.23648	2.9
365.22675	1.4
508.34116	3.2
581.29669	75.3
581.37091	100.0
582.29871	5.1
582.37744	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	581.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62658	0.5
54.07983	0.4
55.01850	0.8
59.01377	13.6
61.98830	2.1
71.01376	0.5
81.19414	0.5
83.05029	1.1
87.94440	0.5
97.02924	1.2
97.06591	1.4
98.19838	1.2
98.20517	2.5
99.04518	36.3
106.52984	0.5
112.48598	0.6
121.02931	4.4
125.06087	1.0
145.06589	3.8
147.08174	1.8
171.08089	1.5
179.10768	0.7
199.11279	1.3
201.12865	0.7
203.14432	0.8
210.06853	1.5
224.08365	2.3
225.09143	2.7
227.10783	2.1
239.10715	1.9
241.14351	0.8
253.12277	1.0
255.13777	0.7
263.14386	0.7
266.12665	0.6
281.15363	1.7
295.15424	5.4
321.18484	0.7
347.20291	0.7
377.17599	1.1
378.53976	0.5
387.59766	0.5
392.05811	0.5
413.23306	9.7
421.20074	1.4
421.58603	0.6
439.21161	13.3
440.21725	0.7
477.26230	0.8
489.49728	0.7
495.27515	4.8
503.24374	0.6
521.25409	26.9
522.25568	1.5
539.26477	60.2
540.26874	3.7
563.26270	4.4
581.27521	100.0
582.27783	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	581.2754
Annotation	Euphoscopin B
Peak:m/z	Relative Intensity
53.06512	0.4
59.01120	1.9
59.01453	16.0
61.98885	0.8
69.28115	2.5
69.28548	1.5
71.01431	1.2
81.03526	0.5
83.05129	2.0
95.05093	0.5
97.06700	1.0
98.20385	2.2
99.03613	1.5
99.03933	2.3
99.04636	39.5
100.04935	0.5
121.02285	0.5
121.03075	2.2
121.06709	0.6
127.04074	0.6
139.92358	0.6
145.06570	3.7
147.08302	0.6
151.07803	0.5
171.08258	0.8
181.08910	0.5
185.09676	0.8
189.09364	0.6
193.08749	0.6
199.11301	0.8
203.14503	0.6
212.08443	0.6
225.09384	1.7
227.10738	4.6
255.13902	0.6
281.15643	2.0
286.88431	0.5
295.15430	2.7
299.16599	2.0
321.18890	0.9
347.20328	1.3
365.21463	0.6
395.21915	0.5
398.69736	0.8
413.23260	8.7
418.79294	0.5
439.21005	3.5
495.28024	2.9
499.22870	0.6
521.25366	4.7
539.26483	71.5
540.26758	4.0
581.27496	100.0
582.27838	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	581.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88282	0.1
55.01893	0.2
56.70028	0.2
57.03447	1.3
59.01379	45.6
60.01715	0.3
61.98839	0.3
67.01893	0.3
67.78674	0.2
68.99831	0.2
69.03467	0.4
70.38287	0.5
71.01400	0.6
71.05031	0.2
81.03465	0.7
82.96103	0.3
83.05026	6.4
84.02200	0.2
85.02953	2.2
93.03494	0.2
95.05021	2.2
96.34789	0.2
97.02953	0.3
97.06611	0.4
98.03735	0.2
98.20411	0.3
99.04518	100.0
100.04864	1.0
107.05061	0.4
109.02961	1.8
109.06619	0.5
111.04508	1.3
111.37717	0.1
113.02446	0.4
113.06087	2.0
121.06577	0.2
121.29618	0.2
122.03719	0.3
123.04542	0.4
123.08169	0.2
125.06077	0.6
127.04010	0.8
127.07643	0.2
135.04549	0.4
135.08177	0.3
137.06102	0.4
141.05573	1.0
145.06621	0.8
147.08186	0.3
149.06075	0.3
151.07567	0.2
152.99593	0.2
155.07144	0.7
157.06628	0.2
167.07143	0.6
171.08138	0.4
175.07617	0.5
181.08691	0.2
184.08894	0.7
187.11200	0.2
197.09590	0.2
199.11292	0.4
203.10733	0.3
207.09972	0.2
211.07599	0.3
212.08458	1.9
213.09151	0.3
221.11826	0.3
226.06360	0.4
227.10770	21.4
228.11104	0.9
237.09358	0.1
239.10704	0.2
243.06575	0.4
249.09009	0.1
249.11200	0.7
265.08661	0.5
267.13931	0.4
269.11960	0.2
277.12274	0.2
279.10281	0.6
279.13974	0.3
280.11026	0.4
281.11795	1.6
283.13486	0.3
291.13919	0.3
293.12054	0.8
293.14883	0.2
294.12747	0.2
295.13538	0.4
297.14929	0.4
305.12018	0.2
307.09897	0.2
307.13531	0.4
309.14905	0.5
319.13425	0.5
321.11426	0.3
321.14966	0.3
322.12155	0.5
323.12891	0.2
327.15955	0.6
333.14960	0.4
333.18561	0.2
335.16592	0.2
336.13651	0.5
337.14404	2.7
342.90189	0.2
345.15091	0.2
351.15958	2.5
351.19794	0.2
359.16461	0.2
362.14978	0.3
363.15857	0.4
376.16867	0.3
377.17542	3.7
378.18161	0.2
379.15372	1.0
388.16833	0.3
391.19019	1.6
393.20679	0.2
395.18585	6.9
396.18985	0.3
403.19119	1.5
409.14694	0.3
409.20151	5.8
410.20401	0.2
413.19592	0.3
419.18579	0.4
421.20206	0.6
431.22202	0.5
435.21780	0.2
437.19678	9.7
438.19879	0.5
439.21872	0.3
463.21249	0.6
495.23959	0.3
537.24908	10.1
538.25061	0.4
539.26178	0.2
545.25720	0.8
563.26587	1.4
581.27527	4.7
582.28284	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00265	0.4
53.32975	0.4
57.03461	0.5
59.01381	4.7
61.98830	0.8
69.40637	1.4
69.41064	1.5
71.01371	2.5
73.02940	0.7
85.02944	2.1
88.98798	0.5
89.02441	0.6
98.20605	0.6
99.92624	0.4
101.02435	1.6
103.04055	0.4
109.02945	0.7
113.02441	1.5
116.92838	1.3
121.02995	0.4
122.03684	0.4
136.01653	0.6
136.99185	0.5
137.02432	3.1
139.00424	0.5
142.82495	0.4
145.02980	1.8
147.04509	1.7
149.02377	0.9
150.03191	1.2
151.03999	3.1
152.01144	0.5
152.04822	0.8
153.01923	0.4
162.03230	0.6
163.04001	3.4
164.04877	0.8
165.01979	1.0
165.05537	1.3
166.02672	0.5
166.06329	1.0
167.03479	0.5
173.02484	0.5
173.06262	0.5
174.03201	2.5
175.03998	13.8
176.04778	3.1
177.05542	1.5
178.02757	0.5
179.03479	1.2
180.04280	6.5
181.04990	1.2
188.04805	3.5
189.05588	5.6
190.06351	17.3
191.01894	0.4
191.07126	11.1
192.04254	0.8
193.05035	6.6
194.05840	6.9
195.06555	0.8
203.07176	2.3
205.08681	14.9
207.06602	5.7
208.07390	12.6
209.07852	0.4
222.08995	2.9
223.06151	0.6
223.09795	0.8
244.92622	0.4
269.08069	0.4
329.13919	1.0
341.14041	0.5
359.11179	1.0
374.13834	2.0
375.14206	0.4
389.16043	100.0
390.16418	5.0
419.13791	0.6
419.17523	3.8
466.49359	0.4
490.72473	0.5
537.25470	0.7
581.24017	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12196	0.4
57.03433	0.5
58.30599	0.3
59.01378	5.0
61.98832	0.6
70.53907	0.3
71.01377	2.4
71.54025	0.3
71.54446	0.6
73.02934	0.9
82.65935	0.4
85.02943	1.8
88.98818	0.5
89.02448	0.7
101.02413	1.3
108.50713	0.3
109.02931	0.7
113.02455	1.1
116.92864	3.3
121.02920	0.4
124.01625	0.6
125.02399	0.6
129.01883	0.4
129.91560	0.5
137.02431	2.6
139.00328	0.7
145.02940	1.7
147.04512	1.5
149.02405	1.2
150.03200	1.6
151.04015	4.3
152.04794	1.1
153.01935	0.6
159.04501	0.5
161.04543	0.4
162.03174	0.7
163.04021	4.3
164.04800	0.6
165.01901	0.8
165.05586	2.5
166.02809	0.8
166.06311	0.8
167.03500	0.8
167.07195	0.6
173.02380	0.6
173.55818	0.4
174.03247	2.9
175.03998	14.6
176.04790	2.8
177.05536	1.7
178.02791	0.4
179.03569	1.1
180.04272	7.4
181.05002	1.2
188.04819	3.1
189.05576	6.7
190.06346	18.5
191.07117	12.1
192.04218	1.0
193.05054	6.7
194.05821	6.4
195.06618	1.1
203.07140	2.0
205.08687	16.6
206.08978	0.5
207.06602	6.6
208.03752	0.5
208.07397	13.0
222.08980	2.6
223.06064	1.0
223.09715	1.0
314.11804	0.4
315.13190	0.5
329.10306	0.5
329.13913	0.6
341.14133	0.8
359.11145	0.5
374.13715	2.9
389.16058	100.0
390.16412	3.8
419.17505	4.5
581.23450	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
58.97541	0.4
59.01385	7.0
61.98822	1.2
71.01388	2.3
71.53732	0.7
73.02939	1.1
81.03437	0.5
83.01366	0.7
83.05038	2.6
85.02948	2.3
86.88101	0.4
89.02448	1.3
93.03448	1.7
95.01392	0.7
95.05010	0.5
99.00896	0.6
99.04484	0.5
101.02448	1.5
104.75819	0.4
107.05037	0.4
109.02960	1.0
111.04523	1.6
113.02441	1.1
119.03473	0.4
121.02969	4.1
121.05671	0.4
121.06586	0.5
122.03746	4.6
123.04527	1.1
124.01546	0.5
125.02395	0.5
125.93858	0.4
129.01047	0.4
129.87244	0.4
133.03001	0.5
134.03706	0.4
135.04500	2.8
136.01607	0.8
137.02434	1.2
137.06070	0.5
147.04483	0.6
149.02441	26.9
149.06029	1.9
150.03230	37.8
151.04001	2.1
152.01164	4.9
155.03519	2.8
162.03163	0.6
163.04019	3.9
164.04803	17.3
165.01875	1.1
165.05571	42.9
166.02681	0.5
166.05916	1.3
167.03520	0.5
167.07130	0.7
169.05150	2.3
175.03983	0.9
177.05598	0.6
179.05632	0.4
179.07108	6.1
180.04286	4.5
181.05104	0.8
190.02722	0.5
190.06294	0.7
191.07103	0.6
193.01408	12.4
195.06621	29.5
196.06927	0.7
205.08717	0.5
208.03766	31.6
222.05275	0.7
223.06114	100.0
224.06438	2.6
231.13853	0.5
237.11288	1.2
245.15442	0.6
265.07114	1.9
281.13998	1.0
311.18637	0.6
315.12625	0.6
321.17075	0.9
325.16846	0.5
339.18118	1.4
371.11209	0.7
375.14481	0.7
389.15961	4.3
392.69080	0.4
419.13440	16.2
425.18237	1.7
521.32983	1.6
537.25201	1.7
539.34674	0.4
563.21881	0.7
581.20959	11.4
582.21375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41566	0.4
57.03432	1.3
59.01382	6.1
61.98821	1.7
65.00304	0.4
69.63804	2.6
71.01390	2.9
73.02937	0.9
74.80145	0.5
78.30956	0.4
83.05021	2.9
85.02931	2.3
87.00883	0.5
87.71490	0.4
88.98793	0.5
89.02438	1.2
93.03453	2.2
95.01355	0.7
95.05006	0.6
95.54853	0.4
99.00880	0.6
99.04526	0.5
101.02440	1.8
105.03479	0.5
107.05039	0.5
109.02971	1.4
111.04511	1.9
113.02442	1.7
121.02956	4.7
122.03745	4.2
124.01584	0.6
131.26138	0.4
133.02914	1.0
134.03741	0.5
135.04491	2.2
137.02432	0.7
149.02437	27.7
149.06049	1.5
150.03220	36.2
151.04033	2.0
152.01154	5.4
155.03481	3.4
163.04015	5.0
164.04779	18.0
165.01886	1.1
165.05562	42.9
166.05940	0.5
167.03479	1.2
167.07137	1.1
169.05054	1.3
175.04015	0.6
177.05563	0.7
179.07129	6.8
180.04256	3.7
181.05013	0.8
187.11243	0.5
190.06255	0.5
191.01880	0.8
193.01408	13.9
193.03215	0.7
193.05125	0.4
194.05893	0.7
195.06616	29.7
196.07007	1.0
205.08600	0.5
208.03757	31.2
209.04041	0.6
223.06099	100.0
224.06525	2.7
237.11330	1.0
248.20773	0.4
265.07062	1.2
281.13913	0.8
303.39761	0.4
311.18683	1.4
315.12338	0.4
321.16708	0.6
339.18130	1.5
359.11563	0.5
389.16086	3.6
390.16422	0.7
419.13428	16.6
420.13647	1.0
425.18301	2.5
521.20288	0.5
521.33337	1.2
537.24939	1.4
563.22150	0.6
581.20990	11.9
582.21704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.0
61.98810	1.3
67.95865	0.4
68.99821	0.7
71.01369	1.9
71.01994	0.6
72.92864	0.4
73.02934	0.6
83.01334	0.4
85.02950	1.8
87.00864	0.5
89.02460	0.9
90.47421	0.4
93.03461	2.5
96.96011	0.9
101.02455	1.8
109.02956	0.6
113.02437	0.7
121.02956	6.9
122.03724	4.7
123.04493	0.4
124.01674	0.5
134.03748	0.5
135.04538	2.8
136.01707	0.7
137.02458	0.9
149.02434	33.1
150.03224	39.5
151.03871	1.5
152.01151	4.6
157.35995	0.4
162.03307	0.7
163.04044	5.4
164.04788	19.4
165.01920	2.0
165.05565	46.7
166.02711	0.4
166.05884	0.8
167.03455	1.2
169.05119	1.9
179.07141	5.0
180.04268	3.6
181.04977	1.3
193.01407	14.0
195.06624	35.9
196.06990	0.5
208.03763	34.1
209.04358	0.6
221.08151	0.8
223.06110	100.0
224.06445	2.5
227.51169	0.5
237.05482	0.4
238.99402	0.5
239.08324	1.1
241.09830	0.7
265.07089	1.0
267.07697	1.2
312.10141	1.4
327.12097	0.5
371.11349	6.4
419.13440	30.2
420.13809	1.4
421.16174	0.6
440.83267	0.5
447.13956	3.4
461.14426	0.8
517.14673	2.2
537.25671	1.3
581.18896	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	581.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99421	0.5
54.13237	0.4
57.03455	4.2
59.01373	1.2
61.98831	4.1
71.01373	1.1
71.53292	0.9
83.01385	1.0
85.02950	10.2
96.96028	0.8
97.06595	0.6
98.20125	0.7
101.02451	7.0
103.04002	6.0
105.17524	0.5
109.06609	1.8
119.04998	0.5
123.04466	1.0
123.08145	1.0
124.05310	2.3
129.01942	51.2
133.02963	1.1
135.04521	3.9
137.02458	0.6
139.07642	10.4
147.02995	100.0
148.03325	1.2
151.07635	5.5
153.09236	1.2
161.02428	2.5
161.09682	1.2
163.02499	0.8
163.03931	0.5
169.08702	0.6
179.02309	0.6
179.03542	5.5
179.10771	7.2
181.12460	0.6
191.01906	0.7
191.10800	1.8
197.11768	0.6
207.10332	0.6
209.11804	3.6
227.12924	2.4
271.11856	29.8
272.12204	0.6
309.06125	8.6
468.51019	0.6
493.11215	0.6
525.30060	0.5
531.43030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.24
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36746	0.2
57.03471	0.2
57.51404	0.2
59.01374	1.4
61.98831	100.0
69.03522	0.2
69.51887	1.4
71.01400	0.5
79.32597	0.2
85.02951	0.4
88.07500	0.2
88.98808	0.5
99.04525	0.3
113.02462	0.3
121.02974	0.5
147.04396	0.2
148.80247	0.2
165.70659	0.2
167.08768	0.2
175.05867	0.2
265.09503	0.3
307.86475	0.2
350.18744	0.2
368.01624	0.3
407.44083	0.2
517.27057	0.3
536.31940	0.4
579.34149	0.6
580.26398	0.3
580.34265	0.7
581.24438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98817	4.1
71.52682	1.3
73.01121	1.0
83.05019	1.0
83.10075	0.9
99.04501	6.0
121.02965	1.9
133.49181	1.0
203.85471	0.9
228.82990	1.0
334.11447	0.9
348.34845	1.0
373.27383	5.5
425.34241	1.7
429.29932	2.7
434.95053	1.0
487.34238	17.0
488.34476	1.6
507.59686	0.9
572.33478	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01714	1.3
61.98832	46.4
62.75558	0.8
62.98527	1.2
63.99255	10.3
71.01392	1.9
76.23498	0.7
76.31511	0.7
77.45013	0.9
77.75493	0.8
78.07662	0.7
78.95914	2.1
79.32534	0.7
79.95743	1.1
80.96518	9.5
80.98167	1.0
81.95322	1.9
82.96111	7.5
82.96949	1.4
94.98094	3.5
96.97665	2.1
97.02927	0.9
98.20274	5.1
104.48206	0.8
127.84302	0.8
142.02243	0.9
150.98683	1.2
151.11275	2.4
152.98569	0.9
164.98615	1.1
166.98056	0.9
169.12341	6.4
181.93616	1.0
197.11821	0.8
213.11287	1.3
225.00784	1.9
227.00409	1.5
279.23343	1.0
280.23630	1.9
287.14935	1.5
291.19577	1.3
309.20810	1.4
373.27402	3.3
429.30191	2.2
487.34286	11.2
488.35040	1.2
505.31787	1.5
579.27094	29.7
579.35266	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	579.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90450	0.2
55.01872	1.5
56.28375	0.2
57.03447	4.3
58.00595	1.6
59.01379	85.1
59.04204	0.2
60.01724	0.3
61.98835	1.5
67.01884	0.3
67.30581	0.2
69.03468	1.3
71.01381	37.0
71.05004	0.9
71.54334	0.4
72.99299	2.6
73.02947	14.0
75.00883	0.6
81.03448	0.6
81.07095	0.9
83.01387	4.3
83.05013	1.5
84.02172	0.4
85.02950	21.2
85.06583	0.5
86.00107	0.7
87.00883	2.5
87.04523	2.1
88.98785	0.3
89.02444	20.3
95.01377	4.0
95.05040	0.3
96.96043	0.8
97.02924	1.2
97.06585	2.7
99.00874	3.1
99.04522	1.0
101.02442	19.6
101.06077	0.5
103.00381	0.5
103.03976	0.4
111.00861	0.8
111.04524	0.4
113.02449	24.7
113.06056	0.4
114.02730	0.3
115.00379	0.5
115.03984	0.3
115.07619	0.4
115.92086	0.3
116.92879	0.9
117.92888	0.5
119.03504	9.3
119.04846	0.4
120.99632	0.3
122.99277	0.3
124.01666	1.0
125.02474	2.4
125.06094	0.3
129.01926	1.1
129.05612	0.5
131.03476	1.1
133.01436	0.3
135.04494	0.3
137.02443	0.3
139.00401	0.4
139.07654	0.5
141.01973	0.3
143.03497	3.4
147.02974	0.8
149.02498	0.3
149.04514	0.9
150.03223	0.3
159.03014	0.8
159.10249	1.4
161.04553	6.3
169.12283	0.5
179.05606	4.9
191.01938	1.6
193.05029	0.4
197.15491	0.8
209.03027	0.4
211.17053	0.4
221.19084	0.3
223.06148	0.6
235.20860	0.3
265.09384	0.5
269.21194	0.7
271.19159	0.4
273.20703	0.7
283.22513	0.3
285.20667	0.7
287.22241	6.0
295.23062	0.3
297.24362	0.5
313.23901	0.6
315.25467	0.5
327.25381	2.7
329.26962	0.5
331.04553	0.5
335.10229	0.7
337.23767	0.3
339.25357	1.5
357.26440	10.5
358.26810	0.5
367.13123	1.6
375.27502	10.4
399.27548	0.9
431.26324	0.8
435.21622	0.2
449.27618	3.9
471.29709	0.6
477.23715	0.4
483.29556	0.5
489.30502	0.4
501.30862	1.5
519.31714	100.0
520.32019	5.9
535.27240	0.9
537.32788	21.1
538.32611	1.5
547.19281	0.8
579.16187	1.1
579.25183	0.7
579.34064	6.5
580.34174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3381
Annotation	Lanceolitol B4
Peak:m/z	Relative Intensity
55.01879	0.4
57.03450	1.3
58.00605	0.3
59.01378	69.5
60.01713	0.4
61.98824	1.8
69.03456	1.3
71.01381	11.0
72.99316	0.6
73.02945	11.6
74.03261	0.1
75.00871	0.6
81.03452	0.3
81.07117	0.1
83.01385	2.5
83.05016	0.3
85.02952	2.4
85.06591	0.1
87.00878	0.7
87.04559	0.2
88.98801	0.2
89.02441	4.7
95.01395	0.5
97.02951	0.3
99.00861	0.6
99.04503	0.3
101.02441	10.6
101.06071	0.2
102.02802	0.2
103.04037	0.2
105.97339	0.1
113.02448	3.8
119.03509	1.8
121.02960	0.5
125.02428	0.4
125.09737	0.1
129.01891	0.1
131.03508	0.5
134.83841	0.1
137.09624	0.1
143.03513	0.6
147.04506	0.2
149.04575	0.4
155.03468	0.2
161.04567	1.5
163.44547	0.1
179.05594	0.4
197.15440	1.1
221.19067	1.5
269.21259	0.2
313.23886	0.2
315.25369	1.8
331.25134	0.2
342.14636	0.4
357.17068	0.7
357.26291	1.2
359.26279	0.1
389.26950	0.3
425.33566	0.1
431.27682	0.3
459.29660	0.6
468.13199	0.1
475.26959	8.0
475.32785	0.7
476.26990	0.6
477.30432	0.6
493.29681	0.2
503.22989	0.2
519.31909	0.9
535.31049	2.0
537.32849	0.3
546.52850	0.2
561.32831	0.2
579.33807	100.0
580.34180	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	579.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18801	0.1
59.01377	0.6
61.98828	100.0
64.10012	0.1
71.53400	0.2
78.95925	0.4
99.04540	0.2
106.70656	0.1
121.02994	0.4
150.82593	0.2
152.99623	0.4
172.28830	0.1
172.66100	0.1
277.21722	1.6
278.22089	0.4
279.22394	0.4
280.22562	0.2
379.80750	0.1
408.47168	0.1
502.29132	0.7
503.29788	0.2
505.30469	0.4
531.97467	0.1
579.30121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00447	0.4
55.01876	1.0
57.03438	2.2
58.00584	0.5
59.01378	48.1
60.01706	0.6
61.98825	7.7
67.32873	0.4
69.03438	1.9
69.03770	0.3
69.24897	2.9
69.25304	0.8
70.92858	0.4
71.01376	9.0
72.99303	0.8
73.02940	4.4
74.91664	0.4
75.00871	1.4
83.01374	2.9
85.02943	5.9
86.00079	0.9
87.00877	1.7
87.04539	0.4
88.98837	0.5
89.02438	1.9
95.01394	0.5
96.95990	2.7
98.20418	1.7
99.00886	1.6
99.04526	0.7
99.08134	0.7
101.02441	8.3
103.04066	0.5
106.29361	0.5
109.02958	0.5
111.00851	0.7
113.02454	4.1
118.93528	0.4
121.03011	1.0
125.02451	0.9
125.09729	0.4
137.02428	1.6
138.02707	0.9
143.10797	0.4
147.54343	0.4
161.04568	0.7
183.13895	1.5
193.21671	0.4
285.24487	2.3
285.27142	0.5
313.23822	0.6
331.24902	4.6
344.12128	0.4
357.26331	0.8
358.14200	0.8
359.14508	0.8
360.14871	1.9
373.16458	1.3
373.25977	0.7
374.16913	1.4
375.17096	3.0
413.33847	0.5
475.27307	13.6
491.29086	0.5
493.30179	21.2
494.30304	0.9
535.31201	100.0
536.31598	6.8
537.33087	0.5
579.34186	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24537	0.7
54.34225	0.7
55.01862	1.3
57.03462	3.9
59.01382	74.4
60.01702	0.9
61.98832	20.4
63.45873	0.7
64.35538	0.7
69.03446	0.9
70.48854	0.9
70.49193	2.0
71.01009	1.4
71.01384	19.3
72.99308	1.4
73.02947	16.8
75.00879	3.5
81.03426	1.5
83.01379	4.8
83.05025	0.9
85.02956	7.7
86.18402	0.7
87.00866	2.8
88.98796	2.3
89.02453	5.7
95.01381	1.7
96.96007	3.0
98.95589	1.2
99.00877	2.0
99.04504	1.1
99.92581	1.6
101.02444	15.6
103.04032	1.9
109.02921	1.0
113.02465	6.3
115.92052	2.3
116.92101	1.1
116.92867	12.4
119.03477	1.4
120.63847	0.8
121.02968	4.9
125.02391	0.9
126.61001	0.7
129.01956	0.8
131.03592	1.0
143.03488	1.1
143.04527	0.9
147.04489	5.0
148.04813	0.7
161.04556	2.9
194.49348	0.7
195.69846	0.7
209.11855	1.2
209.19133	6.5
216.48289	0.7
221.84502	0.7
265.09167	1.2
267.23337	1.1
306.07632	0.9
313.14380	1.1
313.23846	19.5
315.25140	1.0
331.21179	1.4
331.24832	4.2
357.26352	3.2
359.14334	1.2
360.14938	1.2
373.16473	1.0
374.16937	1.4
375.17068	1.2
389.22568	0.7
431.24289	1.5
459.29483	2.6
475.28989	3.4
476.32214	0.8
477.30502	1.2
491.22882	1.1
493.30197	10.1
501.30701	1.9
507.35324	3.1
516.25018	2.3
517.25592	1.0
519.31403	2.5
535.22339	5.0
535.31219	100.0
536.31683	6.3
547.98016	0.9
579.13843	2.6
579.33948	58.4
580.34357	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	579.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62906	0.4
55.01881	0.9
57.03453	2.4
58.00596	0.8
59.01380	60.6
60.01707	0.4
61.98830	8.3
61.99128	0.7
69.03453	4.6
71.01380	8.9
71.54400	0.7
72.99316	1.2
73.02945	4.4
74.85764	0.4
75.00864	2.0
81.03480	0.5
83.01381	2.9
83.05040	0.8
85.02949	6.0
85.66989	0.4
86.00096	0.4
87.00883	1.5
87.04528	1.3
88.98803	0.7
89.02447	2.0
92.44921	0.5
95.01409	1.2
96.96007	2.4
97.02991	0.4
99.00893	1.5
99.04518	1.0
101.02453	8.2
103.03999	0.5
107.08687	0.7
113.02456	3.9
119.03484	0.8
120.99603	0.4
121.02961	1.7
125.02456	1.5
125.09701	0.6
130.60088	0.4
137.02458	1.9
143.10797	0.6
147.04555	0.7
161.04544	0.9
183.13956	0.9
285.24347	2.0
313.23904	0.8
329.24881	0.6
331.24939	4.6
341.25067	0.6
345.12424	0.6
357.26285	0.5
358.14200	0.9
359.14764	1.2
359.26157	0.6
360.14709	2.6
371.25729	0.8
373.16721	2.1
373.26178	0.6
374.16974	2.2
375.17157	4.3
389.27161	2.3
431.28220	1.3
447.29858	0.5
475.26984	42.2
476.27429	2.2
493.30215	21.1
494.30637	1.0
516.25616	1.1
519.32098	1.2
535.31226	100.0
536.31335	4.9
537.26459	0.7
561.25055	0.7
579.26971	2.2
579.34351	14.5
580.34674	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.6
58.00572	0.6
59.01378	28.1
60.01689	0.6
61.98534	0.8
61.98827	11.0
69.03458	1.3
69.18242	3.8
69.18652	0.7
71.01379	5.7
72.99294	2.2
73.02960	4.4
75.00851	0.7
83.01376	1.6
83.05023	1.5
85.02930	3.2
87.00866	1.5
87.04498	1.9
88.98799	0.6
89.02445	1.4
96.95968	0.8
99.00883	0.8
99.04492	1.1
100.99289	0.5
101.02451	3.6
103.03991	1.0
113.02437	1.5
119.03452	0.7
121.02962	2.7
123.08163	1.2
124.05313	0.9
131.03412	0.5
135.08131	3.5
147.04483	3.1
151.07634	1.7
179.10641	0.5
190.43996	0.5
209.19115	0.9
235.20583	0.7
255.19563	1.5
287.01318	0.5
329.16748	0.5
331.24921	0.6
339.23273	1.4
341.15292	0.6
341.24786	0.7
357.26596	7.6
369.24380	1.5
375.27557	0.9
385.23837	2.2
387.25455	3.6
415.24243	2.2
427.24817	0.8
433.25974	2.9
461.29309	0.5
473.29178	1.0
475.26959	46.9
476.27365	3.3
493.28513	3.0
506.75476	0.6
519.24854	2.6
519.32544	0.8
535.29120	100.0
536.29297	7.3
578.36627	1.2
579.26892	5.4
579.34149	30.6
580.34424	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03442	2.5
59.01381	100.0
60.01710	0.8
61.01823	0.7
61.98834	8.9
67.01904	0.6
67.83823	0.4
69.03084	0.7
69.03458	9.2
71.01382	10.8
72.99305	1.0
73.02954	3.9
83.01395	1.5
83.05029	1.2
85.02957	6.5
87.00877	0.6
87.04520	2.1
88.98766	0.5
89.02439	4.7
95.01402	1.6
95.05049	0.5
96.96006	0.7
97.02934	0.7
97.06583	0.8
98.19923	0.9
99.00860	0.8
99.04516	1.1
101.02453	7.6
103.04092	0.5
107.08681	1.8
109.06613	0.7
113.02457	6.1
119.03484	1.4
121.02964	2.7
125.02399	0.6
125.09698	0.7
143.03491	0.6
147.04538	1.3
148.04112	0.9
159.41158	0.5
161.04533	1.4
192.47545	0.5
197.15442	0.5
221.18967	0.5
230.56702	0.5
267.11462	0.7
269.34979	0.4
282.51376	0.5
315.25479	0.7
327.23367	0.5
329.24905	0.7
331.25034	1.2
338.22833	0.5
341.24805	1.3
343.22638	0.5
357.26181	1.9
359.25885	1.1
371.25925	1.2
375.27084	0.6
389.26993	3.8
431.27841	1.6
459.29520	0.7
475.26978	73.4
476.27347	4.5
477.30289	0.5
493.30151	1.4
504.13730	0.7
516.25684	0.7
519.25177	0.9
519.31848	2.0
535.31219	10.1
536.31195	0.8
537.25995	0.8
537.32751	1.5
578.33069	0.5
579.33844	73.5
580.34418	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	579.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
57.03447	1.4
59.01379	100.0
59.91284	0.4
60.01728	0.7
61.98827	2.8
68.09122	0.4
68.70549	0.4
69.03458	0.6
70.29272	0.7
71.01376	5.5
73.02600	0.4
73.02959	2.4
80.67335	0.4
83.01422	0.6
85.02955	2.6
85.12645	0.4
89.02455	1.2
93.03471	0.7
96.96001	0.6
99.00899	0.6
101.02443	3.4
109.02965	0.5
113.02435	2.1
119.03548	0.5
121.02950	15.0
123.04475	0.5
125.02422	0.6
147.04549	0.6
148.93648	0.4
159.03030	0.5
161.04575	1.3
184.42549	0.4
190.06328	0.9
191.07127	0.6
264.17398	0.4
273.21021	0.5
323.76129	0.5
329.26892	0.8
342.14703	22.1
343.14948	0.9
353.05533	0.4
357.17050	49.9
358.17413	2.0
435.25897	3.3
475.27023	4.6
477.27170	1.0
519.31525	0.5
535.31329	3.8
537.33136	0.6
579.26508	1.0
579.33923	19.5
599.12756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.2
59.01379	100.0
61.98830	8.3
69.03469	1.6
69.64617	4.1
71.01382	9.5
72.99328	0.7
73.02938	5.0
75.00813	0.7
81.03466	2.9
83.01402	2.1
83.05035	4.8
83.05466	0.9
85.02946	6.6
87.04533	3.5
88.98822	1.2
89.02441	4.1
93.03435	1.0
95.01414	0.9
96.25732	0.7
96.96014	1.3
99.04542	1.0
101.02441	6.6
103.04023	0.9
107.08765	0.9
109.06583	0.8
111.04524	0.8
111.08134	0.7
113.02448	4.3
119.03477	1.8
119.05070	0.8
123.08179	1.1
125.02455	1.4
137.06017	0.8
153.73087	0.7
159.10188	0.9
161.04521	1.1
251.17993	1.9
265.21838	0.6
293.19046	1.5
297.22137	4.0
309.22241	1.9
311.20166	1.3
315.25418	1.0
329.21371	1.2
341.21176	1.2
343.22842	1.8
353.21268	1.2
355.18933	1.0
357.26410	4.7
361.23795	0.9
371.22253	10.0
372.22528	1.0
375.17114	0.9
387.21750	0.8
389.22992	1.1
397.20218	1.5
413.23199	2.7
415.21228	26.5
429.23062	1.3
457.22238	9.4
475.23367	27.6
476.23352	1.4
516.25720	4.3
519.22308	71.6
520.22522	3.6
535.27509	2.2
537.23865	1.3
561.33063	1.9
579.33771	94.6
580.34247	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	579.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
57.03453	3.5
58.00594	0.8
59.01377	62.5
61.98824	1.8
66.59634	0.4
67.01893	0.4
68.99798	0.6
69.03455	1.0
69.30348	1.3
69.30777	1.5
71.01379	27.6
72.99302	2.1
73.02940	7.2
81.03447	0.6
83.01392	4.9
83.05012	0.4
84.02168	0.6
85.02949	15.6
86.00108	0.6
87.00884	2.7
89.02440	8.0
89.90173	0.3
93.03459	2.0
95.01388	4.8
96.96027	0.9
97.02948	1.2
99.00887	3.3
101.02441	12.0
108.02222	0.8
109.02940	3.8
110.00577	0.4
112.01646	0.5
113.02445	15.5
115.03996	0.6
119.03493	2.5
121.02950	25.2
122.03782	2.2
123.04539	1.3
124.01688	0.8
125.02397	1.9
129.01918	0.4
129.03510	0.5
131.03528	0.3
134.03734	0.5
135.04550	1.2
136.05264	0.5
137.02518	0.7
143.03494	1.5
146.03757	0.7
147.04520	5.0
149.02425	0.6
149.06082	0.9
150.27406	0.3
151.03987	0.5
154.02699	0.7
159.04509	0.4
160.05305	0.8
161.04556	1.7
161.06084	7.6
163.04031	0.6
164.04799	5.0
165.05551	16.2
173.06099	1.7
175.07651	0.5
178.06323	1.0
179.05559	0.9
179.07094	5.4
189.05748	0.5
191.07117	0.4
193.05148	0.6
207.06612	0.9
217.08632	0.4
237.11356	0.6
267.06717	0.5
280.11118	0.4
282.08948	1.0
295.13361	0.6
297.11270	2.6
298.12027	0.4
311.13004	0.7
312.10123	0.7
312.13586	6.4
313.14355	0.5
325.14465	1.1
326.11688	0.6
327.12338	1.7
327.16061	2.6
328.12903	0.6
329.13907	1.5
330.14752	0.9
339.12299	1.5
341.13812	0.6
342.14716	4.6
343.15427	1.0
357.17010	6.6
357.20813	1.2
357.26318	1.2
359.14883	0.7
360.15778	10.7
360.20230	0.7
361.16547	2.5
375.18097	41.8
376.18527	2.0
417.19272	0.5
459.24319	0.4
471.20230	0.5
489.21500	1.1
501.24713	0.5
504.20139	0.7
519.22327	100.0
520.22687	6.3
520.30487	0.3
537.23401	37.9
537.31635	1.3
538.23596	2.5
579.24231	3.5
579.33661	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	579.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	47.7
61.98833	42.4
71.53987	7.8
81.03431	7.0
81.09153	6.7
82.98965	6.0
85.02959	6.8
96.60574	7.0
99.04517	28.8
121.02953	76.0
135.04507	7.7
147.04541	11.8
149.54700	6.1
169.80446	7.2
175.02315	6.8
244.32411	5.8
537.25244	11.7
579.25330	100.0
598.39832	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	579.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57679	3.5
55.10112	2.8
56.66697	3.1
59.01376	45.1
61.98830	34.3
62.80983	2.8
71.01353	3.8
78.95898	3.4
85.02950	38.2
99.04519	11.1
117.70992	2.9
121.02975	45.6
125.09741	3.2
125.93055	3.4
131.03883	3.9
172.41498	3.3
215.42297	3.8
223.77808	3.1
237.09288	3.9
252.07895	14.4
266.09451	26.4
267.10223	49.3
281.11902	12.8
457.22186	9.9
492.97565	3.8
495.16382	5.3
495.23862	47.1
504.21347	9.7
535.25916	4.2
537.24872	5.8
579.25763	100.0
580.26050	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	579.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39119	0.5
54.47118	0.5
55.68706	0.5
57.03444	2.7
59.01380	40.3
61.98835	3.5
69.03466	0.8
69.38932	3.5
71.01382	16.2
71.01780	0.8
72.99320	1.1
73.02948	5.5
74.39216	0.6
78.91392	0.6
81.03452	2.1
83.01403	1.9
83.05030	0.7
84.02171	0.6
85.02943	9.4
87.00877	1.9
88.98771	0.8
89.02436	9.1
95.01378	2.5
95.05024	0.5
96.95977	0.8
97.02962	0.9
97.06593	0.6
98.19956	1.4
99.00912	1.2
99.04525	2.3
101.02444	10.4
103.00366	1.6
103.04010	0.8
105.16193	0.5
109.02960	2.0
111.00959	0.9
113.02448	10.3
119.03474	2.7
121.02959	0.6
123.00894	2.2
123.04523	0.6
125.02450	2.4
133.02902	0.5
134.03769	1.2
135.04526	1.9
137.02437	8.6
138.03284	0.5
139.00334	0.7
143.03496	1.7
147.03046	0.9
149.02475	2.2
150.03259	1.6
151.00378	14.8
151.01588	0.9
151.03993	1.1
152.01091	2.0
152.04773	2.0
153.01900	1.1
159.02997	0.5
159.04497	0.7
161.04553	3.7
162.26340	0.5
163.04060	3.3
165.01985	1.0
165.05583	0.6
166.02713	55.4
167.03490	2.8
175.03952	1.1
177.01944	2.5
177.05453	0.7
179.05659	1.4
180.04353	0.9
181.05066	66.5
182.05464	1.2
184.03766	0.6
190.06354	1.0
190.55188	0.5
191.02025	0.6
191.03488	1.2
192.04228	1.3
193.05035	1.0
194.95750	0.5
195.06648	1.7
196.75354	0.5
201.02663	0.5
205.05130	0.8
205.08699	0.8
207.02979	5.3
207.06590	1.3
208.03787	1.2
209.04620	0.9
209.08221	0.9
223.05957	0.9
243.57890	0.6
256.03745	0.6
286.08279	1.0
287.22208	0.9
301.10883	2.5
303.23328	1.5
309.24225	1.1
321.24350	1.8
339.25247	1.0
345.26831	0.6
357.26392	2.5
359.11404	1.6
373.13214	0.9
375.14740	0.7
375.27414	1.0
387.10785	15.3
387.15491	0.8
402.13220	7.1
417.15573	100.0
418.15805	5.6
431.24387	1.3
435.22186	0.9
457.22284	0.8
465.28922	1.1
471.29755	1.1
475.23480	1.0
483.29697	2.7
501.30573	1.6
517.25220	0.8
519.31757	35.9
520.31989	1.3
535.25781	1.7
537.32788	6.0
579.16644	1.2
579.25653	2.3
579.34338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35635	0.5
58.55759	0.5
59.01377	37.2
60.01705	1.3
61.98825	8.0
63.96248	0.6
71.01390	2.3
71.52686	1.1
74.77321	0.5
78.95903	20.5
78.98588	2.1
79.95724	4.2
80.96515	22.9
85.02951	1.0
87.00880	1.0
89.99134	0.6
94.98079	6.0
96.96008	0.9
101.02442	0.8
106.98043	0.7
122.97576	1.4
125.02483	1.1
134.97580	1.7
148.99113	2.2
152.62143	0.6
152.98581	1.5
152.99673	3.2
164.98674	2.9
168.04324	2.5
224.06915	9.1
224.71638	0.6
225.00723	3.7
226.01064	1.1
242.07993	2.7
264.20691	0.7
279.23267	100.0
280.23633	4.6
289.84848	0.6
299.04364	0.9
372.26166	1.0
376.88391	0.5
486.32870	3.6
504.30930	79.4
505.31235	4.6
537.48047	0.6
578.27148	40.3
579.26904	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	578.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01243	0.2
59.01105	0.3
59.01379	3.0
61.98830	100.0
77.12955	0.1
98.20031	0.9
98.25204	0.2
99.04513	1.1
121.02989	0.6
134.65732	0.2
162.67477	0.2
164.74382	0.2
248.77007	0.2
347.22363	0.4
373.20642	0.3
429.26480	0.3
455.24759	0.5
473.25418	2.7
474.26019	0.2
515.26477	7.2
516.27136	0.5
575.36060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.80986	0.4
59.90979	0.4
60.20549	0.4
61.69853	0.4
61.98831	39.6
71.01382	0.8
76.42015	0.4
83.05029	0.6
85.02939	0.5
98.19853	0.8
99.04531	0.9
101.02449	0.5
112.97652	0.5
121.02962	8.5
147.04477	0.5
167.88432	0.5
190.21584	0.4
225.11177	0.5
373.20215	0.6
473.25494	0.8
477.59296	0.5
515.26520	1.5
577.24213	7.1
593.76300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40313	0.7
57.03421	0.7
59.01379	100.0
61.98829	32.7
61.99166	0.7
63.96212	0.6
64.72585	0.6
70.41971	0.8
70.42310	1.2
71.01382	5.9
73.02952	1.1
78.95919	2.4
78.98590	6.1
79.95728	9.2
80.96516	60.7
81.03458	0.7
85.02957	2.5
87.00860	2.7
88.98816	0.9
94.98087	14.5
95.01399	0.7
96.96027	1.7
97.02934	0.9
98.19965	0.6
101.02422	3.0
101.66325	0.5
102.11489	0.6
106.98108	3.0
121.02943	0.6
122.97587	3.8
125.02412	3.1
127.03985	0.9
134.97572	4.0
136.99110	1.1
148.99136	4.9
152.98618	5.4
164.98627	9.8
182.99658	0.7
206.99727	1.8
209.11909	0.6
224.06889	0.7
224.98666	1.1
225.00751	13.8
246.24409	0.6
277.21777	2.8
279.23264	9.1
299.04318	2.1
371.25870	9.1
423.32669	3.6
427.28241	4.2
445.38458	0.6
485.32706	26.2
486.33170	2.2
504.30853	6.3
577.26843	91.2
578.27051	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	577.3744
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
55.52241	1.1
58.90240	1.0
59.01382	59.8
61.98842	1.5
71.01376	2.2
71.05007	3.3
71.05368	1.0
77.69919	1.0
90.55389	1.1
97.02920	3.1
97.06570	1.8
98.20754	1.8
99.00882	14.1
109.06568	1.7
121.02949	1.8
125.09720	7.4
147.66487	1.0
163.11336	7.8
181.12358	14.1
187.73521	0.9
199.13412	26.5
204.57181	1.0
207.08391	1.7
207.10263	23.7
225.11320	54.8
226.11566	1.1
237.62300	1.1
243.12360	15.8
277.21701	63.8
278.21802	2.1
299.14929	5.6
304.85486	1.1
317.16080	21.1
365.16037	1.1
517.29535	4.1
577.37292	100.0
578.37720	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	577.3222
Annotation	1-NBD-decanoyl-2-decanoyl-sn-Glycerol
Peak:m/z	Relative Intensity
55.01888	0.7
57.03442	1.5
57.63391	0.2
58.29241	0.2
58.50199	0.2
59.01380	77.6
59.04380	0.2
60.01713	0.5
61.01804	0.2
61.98830	3.0
63.29306	0.2
69.03452	0.5
71.01386	8.8
72.99313	0.8
73.02948	4.8
75.00870	0.5
81.03454	0.3
83.01384	2.6
83.05048	0.4
85.02956	5.2
85.06607	0.3
87.00891	1.1
87.04520	0.5
87.20676	0.2
88.98849	0.3
89.02441	2.0
91.75454	0.2
95.01396	0.8
96.96014	0.9
97.02959	0.5
97.06606	0.4
98.20755	0.5
99.00893	1.1
99.04534	1.7
101.02441	8.0
101.03117	0.4
103.04019	0.9
111.00905	0.7
111.04597	0.3
111.08215	0.2
113.02457	3.3
119.03536	0.4
121.02966	0.5
123.04552	0.3
123.08140	1.1
124.01707	0.3
125.02460	0.5
129.01942	0.6
141.09146	0.3
141.12856	0.4
143.03497	0.6
147.04654	0.2
149.06119	0.3
152.08385	0.3
159.03033	0.5
161.04498	1.2
168.00581	0.3
171.13925	0.4
209.19080	0.3
228.30211	0.2
235.20706	0.5
277.21744	1.6
295.22818	1.3
329.23111	0.3
353.23312	0.2
355.24899	1.6
362.19492	0.6
362.81683	0.2
373.16400	0.7
373.25864	0.3
421.26013	1.1
431.24503	0.4
439.26965	3.3
457.22409	0.2
457.28098	4.2
473.24695	0.4
473.31079	1.6
475.29422	1.4
491.32446	0.4
499.29108	0.4
515.24835	0.3
517.30725	1.2
533.29492	2.5
535.29388	2.8
559.31116	0.5
577.32269	100.0
578.23792	0.4
578.32599	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	577.3227
Annotation	1-NBD-decanoyl-2-decanoyl-sn-Glycerol
Peak:m/z	Relative Intensity
55.01875	0.8
57.03447	2.3
58.00597	0.8
59.01377	55.1
61.98828	0.9
69.03455	0.6
70.72798	0.3
71.01379	21.1
72.01720	0.1
72.99300	1.2
73.02943	20.6
74.03275	0.2
75.00883	0.5
76.33907	0.1
81.03462	0.3
83.01385	5.4
83.05023	1.1
85.02946	5.4
85.06581	0.5
85.34827	0.1
86.00094	0.3
87.00868	1.6
87.04535	0.1
87.27922	0.1
89.02444	9.0
95.01389	1.3
96.96010	0.8
97.02946	0.5
99.00877	1.0
99.04517	0.3
101.02439	17.3
101.06071	0.2
103.04011	0.2
109.02976	0.2
109.06609	0.1
113.02448	7.2
115.03944	0.2
118.99573	0.1
119.03503	3.3
119.63743	0.1
119.64598	0.1
123.04510	0.1
123.08146	0.1
125.02421	0.9
125.09699	0.2
131.03491	1.1
137.02437	0.2
141.12837	0.1
143.03468	0.9
149.04573	0.5
155.03522	0.3
161.04562	2.2
169.12328	0.6
179.05608	0.8
191.07098	0.2
203.05618	0.3
211.17033	3.0
220.18724	0.1
235.17021	0.3
235.20671	0.8
253.17960	0.2
329.13824	0.2
329.26895	2.0
330.27322	0.2
337.23953	0.6
343.11835	1.0
355.24869	2.5
358.14261	0.6
373.11938	0.2
373.16559	3.0
373.25937	0.3
374.16898	0.2
395.43622	0.1
431.24539	0.3
473.25354	1.5
473.31290	0.2
474.30896	0.3
491.32108	0.5
499.29172	0.5
517.30078	1.2
533.27686	3.1
534.28137	0.3
535.31012	0.5
559.31458	1.2
577.32251	100.0
578.32556	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3232
Annotation	1-NBD-decanoyl-2-decanoyl-sn-Glycerol
Peak:m/z	Relative Intensity
52.97834	0.1
53.27879	0.1
55.01878	0.9
57.03447	1.7
58.00595	0.9
59.01379	69.0
60.01711	0.2
60.99352	0.1
61.98829	3.0
62.03905	0.1
69.03460	0.5
71.01380	19.9
71.05009	0.3
72.01738	0.2
72.99309	1.1
73.02946	9.2
75.00868	0.3
81.03467	0.3
81.07069	0.1
83.01386	2.7
83.05048	0.4
84.02151	0.2
85.00219	0.1
85.02950	7.9
85.06590	0.4
86.00086	0.7
87.00880	1.3
87.04520	0.3
88.98818	0.3
89.02444	8.9
93.03444	0.1
95.01387	1.7
96.96019	1.8
97.02967	0.7
97.06590	0.4
99.00884	1.6
99.04533	1.0
101.02441	11.4
102.98753	0.1
103.04020	0.4
104.22702	0.1
108.02191	0.1
111.00854	0.3
111.04515	0.2
113.02452	7.2
116.92870	0.2
119.03500	3.0
121.02988	0.2
123.04523	0.2
125.02420	0.6
125.06075	0.2
129.01955	0.3
131.03481	0.3
134.03705	0.3
137.02458	0.2
139.11249	0.1
143.03520	0.7
149.04536	0.2
149.06042	0.1
159.02979	0.4
159.10292	0.1
161.04539	1.7
169.12326	0.2
179.05614	0.3
193.05052	0.2
205.58421	0.1
211.17030	0.8
233.11795	0.1
265.09341	0.2
265.21878	0.2
311.18417	0.2
313.23914	0.3
327.25400	0.4
329.10938	0.3
329.26935	2.5
337.23962	1.0
355.24902	1.8
358.14166	0.2
371.12064	0.2
373.26184	0.3
473.31467	1.1
491.32248	1.3
497.57593	0.1
499.29361	1.6
517.30237	2.0
533.16852	0.3
533.27789	0.2
535.31421	1.1
559.22980	0.2
559.31018	1.2
577.32257	100.0
578.32550	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	577.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33303	0.1
57.03454	1.0
59.01381	53.5
59.25499	0.1
60.01716	0.2
61.98841	0.4
69.03454	0.7
69.24300	0.1
71.01379	0.4
71.53888	0.1
72.99307	0.9
73.02950	0.1
75.00890	0.1
79.63022	0.1
81.03485	0.1
83.05029	0.7
84.02178	0.2
85.02953	0.6
87.00878	0.6
87.04517	2.0
94.04217	0.1
95.05034	0.1
97.02956	0.1
97.06580	0.3
99.04528	0.2
101.06058	0.1
107.08672	0.1
107.98811	0.1
109.06600	0.4
111.08150	0.1
114.65976	0.1
115.07693	0.1
121.02945	0.2
121.06599	0.1
121.10265	0.1
123.08175	0.3
133.10257	0.1
135.08150	0.1
137.09756	0.1
147.04579	0.1
149.09712	0.2
151.11293	2.3
163.11290	0.1
165.12834	0.1
175.11299	0.2
177.12823	0.2
187.11232	0.1
187.14828	0.1
189.12805	0.1
191.14381	0.1
193.08647	0.1
203.14357	0.3
215.14420	0.1
227.14444	0.1
233.15489	0.2
243.17480	0.1
259.20618	0.2
261.15131	0.1
261.18613	0.4
265.09259	0.1
271.20737	0.2
273.18723	0.2
279.16095	0.9
285.22256	0.1
297.22562	0.1
315.23300	0.2
323.23660	0.4
327.26917	0.2
337.25421	0.8
339.23288	0.2
339.26953	0.3
341.24890	0.2
341.28632	0.1
349.25290	0.1
355.26352	0.9
357.27966	0.5
365.24863	0.1
367.26373	1.1
368.10330	0.1
373.26096	0.1
373.76498	0.1
379.26337	0.2
383.25992	0.9
385.27460	4.5
386.27737	0.2
387.25705	0.1
409.27573	0.3
413.26953	1.7
413.32010	0.1
414.26712	0.1
425.26984	1.0
426.27441	0.1
427.28488	0.7
431.28162	0.5
445.82330	0.1
455.27612	0.4
471.27560	0.3
473.29041	100.0
474.29422	6.7
475.26990	1.4
476.27606	0.1
517.27557	0.5
535.29065	3.1
536.29681	0.2
577.30115	13.9
578.30426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.7
61.98830	44.2
69.03456	0.4
70.84425	0.6
70.84764	1.0
71.01382	4.5
73.02950	1.4
78.98592	5.0
79.35523	0.5
79.95737	8.0
80.96515	53.6
81.03459	0.7
85.02951	2.3
87.00855	1.8
94.98089	11.8
96.96008	0.8
97.02944	1.6
97.47636	0.4
101.02453	2.1
106.98089	2.4
122.97583	5.1
125.02417	2.1
134.97562	4.0
136.99126	1.3
148.99150	4.6
152.98628	6.1
164.98634	8.2
167.00217	0.5
169.89069	0.4
174.60185	0.5
182.99681	1.6
206.99631	1.9
225.00742	14.0
243.01793	1.7
277.21628	1.9
287.00092	0.5
299.04449	2.2
577.26849	100.0
578.27307	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.3
58.00585	0.8
59.01380	64.1
60.01704	1.1
61.98830	12.0
69.03449	1.2
70.66177	1.1
71.01385	15.7
72.99303	3.8
73.02944	9.2
75.00862	0.8
79.05525	0.4
83.01392	3.7
83.05030	2.7
85.02953	10.9
85.06590	0.6
86.00101	0.7
87.00866	7.6
87.04519	4.7
89.02444	5.2
93.03471	0.8
95.01405	1.2
95.05044	0.6
96.96014	8.1
97.02958	0.9
97.06605	0.7
98.03742	0.8
99.00893	1.6
99.04536	4.4
101.02448	9.4
103.03998	0.8
107.08705	0.5
109.02977	1.2
109.06596	0.9
111.00876	0.7
113.02448	5.0
113.06126	0.6
115.04067	0.6
119.03522	2.2
120.99650	1.1
121.02996	1.1
121.06613	0.6
122.03765	0.5
123.04504	0.8
124.01663	0.5
125.02441	1.2
125.06012	0.5
128.29207	0.5
129.05606	2.0
131.03474	0.6
137.02487	1.6
137.06120	0.8
137.09750	0.9
143.03548	0.7
149.04498	0.5
149.09721	1.1
154.06396	1.1
161.04601	2.1
161.06000	0.9
175.07687	0.9
177.05615	0.8
186.13965	0.5
189.05630	0.8
190.06372	0.8
191.07178	0.6
201.11360	1.0
206.05804	0.7
208.14398	0.5
221.08282	0.6
265.09363	1.3
271.02295	0.5
277.14536	0.6
278.15305	0.9
315.12326	0.8
323.23996	0.9
329.26947	0.8
335.24100	1.1
339.23639	0.7
343.11807	6.0
355.25067	2.8
358.14145	5.7
369.34369	0.5
373.16574	16.6
413.23596	1.4
425.24036	0.5
427.25220	2.2
429.26578	1.6
431.24405	4.9
445.26282	1.6
455.24384	1.1
463.22519	0.5
473.25424	30.1
474.25610	1.4
474.31430	3.4
489.28201	0.7
491.26218	2.5
492.32144	0.9
499.29156	0.6
514.24054	1.5
515.26019	0.8
517.23743	0.8
517.30377	3.1
533.27582	100.0
534.27759	6.5
535.25110	1.0
535.32178	1.1
545.18298	0.8
559.31372	1.1
576.31879	0.7
577.32922	49.0
578.33209	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	577.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03366	1.6
59.01301	15.3
59.01635	2.1
61.98753	2.4
71.01331	0.7
72.99221	6.6
73.02876	0.6
83.04929	0.6
85.02865	1.2
87.00779	29.1
87.01368	1.8
96.95998	1.8
98.20507	1.7
99.04440	0.5
103.03860	0.4
109.06480	0.5
113.02335	0.4
121.02852	0.5
124.05189	0.6
131.03389	0.5
135.08038	1.6
151.07507	1.1
169.41811	0.4
207.02882	0.4
259.13412	1.8
277.14417	7.3
278.12442	0.7
278.15219	10.5
279.15631	0.6
281.19193	0.4
294.08530	0.3
299.20218	2.2
335.18567	0.9
339.23206	2.4
341.24069	0.4
351.23486	0.5
357.24222	0.5
367.22888	0.5
369.24380	1.1
373.16599	0.6
383.22128	1.2
385.23459	0.5
395.22177	0.5
401.23172	1.3
413.23267	3.3
425.22964	0.4
429.26340	1.2
431.24350	25.7
432.24698	1.2
443.24271	1.6
455.24179	2.2
471.27298	2.0
473.25357	65.3
474.25662	3.5
491.26422	1.3
517.31287	0.4
533.27539	100.0
534.27820	5.5
535.29486	0.4
577.25214	3.4
577.33252	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03368	2.3
58.00530	0.6
59.01295	36.2
60.01653	0.9
60.39505	0.5
60.99245	0.5
61.46611	0.4
61.98745	8.5
61.99093	1.0
64.26048	0.4
69.03402	0.7
71.01291	9.1
71.04951	1.0
71.54762	0.5
73.02852	7.3
81.03400	0.5
83.01298	2.1
83.04931	1.9
85.02856	7.7
85.03410	0.8
85.06474	0.5
87.00774	1.8
87.04457	0.9
88.98708	2.0
89.02342	3.6
93.16391	0.4
95.01318	0.9
95.04967	0.5
96.96008	2.8
97.02863	0.8
99.00806	0.9
99.04417	1.8
101.02437	6.6
103.03909	1.4
107.04974	0.7
108.87109	0.4
109.02950	3.7
111.00802	0.7
113.02447	4.1
115.03924	0.8
119.03412	0.9
120.03395	0.4
121.02959	2.4
122.03618	1.4
123.00821	0.7
123.04514	3.5
124.01589	2.3
125.02467	4.6
129.05463	0.9
135.04434	1.1
137.02443	9.5
137.03413	0.4
137.05956	0.8
137.09595	0.5
138.03130	1.3
139.03963	1.2
142.04903	0.5
143.03494	0.7
145.04944	0.6
149.06001	0.5
149.99466	1.6
151.03957	1.1
152.01041	0.7
153.05450	1.3
159.75543	0.5
161.04526	1.1
161.05917	1.5
163.03874	1.8
163.07614	0.5
168.00664	3.9
169.01376	0.6
175.03865	0.8
177.05559	2.9
186.13393	0.5
189.05559	2.7
190.06346	3.6
191.07172	2.5
203.07083	1.0
205.04962	0.8
206.05783	3.9
207.06541	0.7
220.07317	1.0
221.08025	1.9
265.09332	0.9
287.12802	0.8
311.22192	0.5
315.12390	5.1
329.14059	1.1
329.26807	0.6
337.23758	1.4
343.11832	32.5
344.12167	1.5
355.24911	5.2
357.13556	0.6
358.14182	36.8
359.14462	2.2
373.16531	100.0
374.16852	5.7
382.50992	0.5
445.25650	0.6
473.25940	0.9
491.28085	0.8
493.27814	0.5
515.23962	0.5
517.23077	0.7
517.30554	3.3
533.29596	13.0
534.30566	0.7
535.31598	2.3
559.31598	0.8
577.18481	3.7
577.32544	55.2
578.33032	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	577.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61915	1.1
55.08714	1.3
57.03198	1.1
57.03448	14.4
59.01379	2.4
59.20646	1.0
60.99294	1.2
61.98806	2.5
69.91027	1.5
69.91441	3.8
71.01384	1.4
71.32255	0.9
81.03457	2.8
83.01385	5.4
85.02921	1.1
88.98805	3.9
93.03455	1.7
95.01369	1.3
95.05039	2.5
96.96010	2.0
97.02964	4.9
98.19970	1.3
105.03442	1.0
107.04990	1.4
108.02168	1.4
109.02956	22.9
117.03431	1.2
119.04960	1.0
121.02979	4.4
122.03750	1.4
123.04527	17.9
123.52731	1.2
124.01653	1.1
125.02446	100.0
133.02911	4.0
133.03801	0.9
135.04512	3.8
137.02438	20.9
139.04024	4.8
140.53651	1.0
142.11819	1.0
146.03677	1.5
147.04488	1.4
149.02432	6.1
149.06018	1.2
150.03159	1.1
151.04022	15.1
159.04469	3.7
160.05289	1.1
161.02440	29.8
161.06123	5.3
161.07356	0.9
162.03127	2.0
163.00401	2.0
163.04007	3.7
164.01167	4.4
165.01894	6.1
165.05598	1.5
167.03415	3.3
173.06056	1.5
174.03253	1.0
175.04001	13.2
175.07614	1.5
177.01915	5.6
177.05571	1.3
179.03519	6.5
185.06075	1.3
187.04013	8.4
188.04741	3.3
191.03519	1.7
193.04961	1.6
201.05659	1.3
202.06322	1.8
203.03510	1.2
203.07117	9.0
205.01389	2.7
205.05058	9.2
209.04509	4.2
211.04036	1.7
213.05482	1.4
217.04994	1.6
221.04541	1.6
227.03650	1.5
227.07123	2.0
228.04227	1.3
229.05072	1.6
239.05598	1.4
243.02907	2.3
245.04515	5.7
245.08185	14.2
251.05675	8.6
255.02989	8.4
256.03720	3.8
257.04517	1.9
269.04529	2.6
273.03925	4.7
281.04086	1.8
281.07016	5.2
283.02429	1.4
285.04053	2.8
287.05634	10.7
289.07175	74.5
290.07468	2.6
293.02704	1.3
297.04056	1.5
299.05521	7.0
311.07770	2.1
329.06631	1.8
339.08694	4.1
371.09796	2.3
381.09680	2.0
407.07690	62.8
408.08072	3.7
425.08762	24.7
451.10391	16.4
559.12488	1.6
577.13336	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	576.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01163	0.7
59.01380	28.9
61.98830	14.4
65.65434	0.8
78.95905	26.9
79.41250	0.7
84.95451	0.7
121.02955	1.5
152.99557	4.9
168.04272	3.6
224.06935	12.2
242.08052	2.1
277.21704	100.0
278.22064	3.7
305.37195	0.8
502.29376	89.8
503.29904	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	577.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	13.4
59.01367	1.4
60.99319	0.8
71.01357	1.2
81.03464	2.3
83.01389	4.7
88.69995	0.7
88.98802	2.6
93.03469	1.8
95.01443	1.1
95.05046	2.2
95.88874	0.7
97.02952	3.6
105.03458	1.1
107.05047	1.4
108.02164	1.7
109.02956	19.6
111.04492	0.8
119.05016	0.9
121.02973	4.4
123.04530	12.5
125.02448	100.0
126.02861	0.8
131.04958	1.0
133.02943	3.9
135.04533	1.9
137.01463	1.6
137.02444	21.5
138.03091	0.8
139.04002	3.4
145.02957	1.7
146.03740	1.3
147.04506	2.1
149.02437	5.8
149.06131	0.9
150.03233	1.4
151.04010	12.0
159.04495	4.5
159.75499	0.7
161.02438	28.6
161.06078	6.1
162.03230	2.4
163.00388	2.6
163.03993	3.2
164.01149	4.5
165.01976	5.5
167.03499	1.3
168.04140	0.8
173.02493	0.9
173.06001	1.7
174.88930	1.8
175.03995	11.1
175.07527	1.0
177.01970	5.1
177.05550	1.9
179.03477	5.2
185.06021	1.3
187.04036	8.8
188.04752	3.6
189.05609	0.8
193.05009	0.9
201.05603	2.8
202.06377	1.6
203.03540	2.1
203.07187	9.2
204.60439	0.7
205.01456	3.0
205.05078	6.6
213.05499	1.4
214.02657	0.9
215.03511	1.5
217.05072	1.3
221.08214	1.7
227.03506	1.3
227.07152	1.6
228.04404	0.9
229.05061	3.7
230.05864	1.6
231.02837	1.2
243.02919	4.0
245.04602	5.2
245.08153	12.4
245.10400	1.2
247.06036	1.1
253.04930	1.3
255.03035	9.5
256.03848	4.6
257.04483	2.8
269.04431	2.0
271.06174	1.1
273.04037	5.1
281.04544	2.9
283.02524	2.6
285.04086	3.0
287.05612	7.0
289.07178	59.3
290.07532	1.4
297.04108	0.9
297.07806	1.1
299.05658	7.6
329.06604	1.4
331.08179	0.9
336.20181	0.8
339.08820	4.5
351.78485	0.8
381.09747	3.2
389.07095	0.8
407.07690	65.8
408.07816	2.2
425.08774	28.0
451.10349	12.8
559.12073	1.0
577.13373	8.3
577.20410	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	18.9
61.98834	2.8
70.70011	0.3
78.95902	7.3
152.99644	1.5
168.04279	1.7
184.44194	0.3
193.00253	0.3
224.06897	1.2
233.22723	0.5
242.07999	2.9
248.08116	0.5
277.21710	100.0
278.22104	3.0
487.08521	0.4
502.29388	43.9
503.29474	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	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59154	0.2
59.01372	0.3
61.98829	100.0
70.31844	0.4
70.32199	0.7
71.01377	0.4
79.95732	0.6
80.47455	0.2
80.96510	4.1
94.98091	0.8
134.97629	0.5
148.99162	0.4
164.98654	0.8
225.00821	1.0
275.79865	0.2
277.21722	0.4
278.21982	0.3
361.75015	0.3
541.12964	0.3
577.26788	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	576.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.2
59.01383	2.8
60.01709	0.3
61.01815	0.2
61.98831	100.0
62.74702	0.1
69.39548	0.8
71.01372	0.7
73.02949	0.2
76.59785	0.1
81.34837	0.1
85.02956	0.2
87.34608	0.1
89.02460	0.3
92.52402	0.1
96.96051	0.3
98.20009	0.4
99.04497	0.2
101.02470	0.5
102.05634	0.2
103.00347	0.1
113.02443	0.3
119.28948	0.1
121.02998	0.2
145.02980	0.2
146.04642	0.2
151.04083	0.1
154.35150	0.1
156.70137	0.1
161.04590	0.3
163.04967	0.2
178.16261	0.1
191.03639	0.1
191.07158	0.3
192.04233	0.2
251.07059	0.2
252.07524	0.3
263.06909	0.2
264.07584	0.2
265.08664	0.1
267.06476	0.6
268.07022	0.4
279.06604	0.4
280.07022	0.5
282.09036	0.3
283.09482	0.3
289.11868	0.4
294.05453	0.2
295.05896	0.3
302.64645	0.1
309.07703	0.3
310.08270	0.5
319.13013	0.5
319.63208	0.2
322.08466	0.2
323.05832	0.2
324.06091	0.4
326.07965	0.2
338.08017	0.4
339.08112	0.7
341.10187	0.8
342.10666	1.4
353.10330	1.0
354.10602	2.2
371.11435	0.5
372.11646	1.4
516.31897	0.4
546.16638	0.2
569.25037	0.2
576.17157	0.6
576.31641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15231	0.2
59.01391	0.4
61.98828	100.0
69.55990	1.3
69.56394	0.5
98.20667	0.3
144.86787	0.3
184.99446	0.2
267.40610	0.3
336.29736	0.3
439.27460	0.3
443.10492	0.3
454.13303	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78338	0.3
55.94902	0.3
57.49673	0.3
59.06859	0.3
61.98833	100.0
71.01411	0.5
73.41510	0.3
78.98600	0.5
79.95750	0.7
80.96519	5.8
84.46875	0.3
93.47401	0.3
94.98123	1.3
96.36350	0.3
98.20654	1.2
106.98064	0.3
125.67794	0.3
134.97623	0.4
144.67020	0.3
147.90144	0.3
148.99197	0.3
152.98689	0.6
164.98669	1.1
194.08788	0.3
225.00790	1.6
258.55637	0.3
277.21796	0.6
278.21976	0.3
279.22418	0.3
304.32394	0.3
577.26868	8.9
591.68781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28348	0.4
59.01379	100.0
60.55832	0.4
61.98835	2.4
72.21262	0.3
98.20078	1.8
99.04536	1.0
101.02475	0.8
102.57815	0.3
119.47839	0.3
121.02983	1.0
147.04533	0.4
212.38257	0.3
250.80188	0.4
325.81610	0.3
395.19107	0.3
453.30481	0.5
485.32727	0.6
575.24060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10698	0.1
53.77194	0.2
56.34503	0.1
56.55101	0.1
59.01371	0.6
61.98828	100.0
67.24804	0.2
69.41835	0.2
69.42237	0.8
96.96012	0.3
103.43283	0.1
115.45612	0.2
117.24400	0.1
137.72118	0.2
140.62154	0.2
181.05008	0.2
207.99655	0.2
243.19109	0.2
267.16095	0.2
304.41226	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59394	0.7
55.47179	0.8
59.01376	14.5
61.98837	3.4
65.72497	0.7
71.01388	3.7
72.64286	0.7
73.02911	1.1
85.02956	0.7
89.02429	3.0
101.02441	2.5
147.04544	0.8
235.08142	1.3
253.09297	11.7
279.23285	100.0
280.23657	3.8
367.52762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03449	2.2
58.00597	1.0
59.01380	100.0
59.72149	0.2
60.01722	0.5
61.98829	2.7
69.03468	0.9
71.01384	32.0
71.53809	0.3
72.01746	0.2
72.99317	1.8
73.02948	22.5
75.00875	0.7
78.95900	0.5
81.03448	0.4
83.01390	7.5
83.05028	0.3
85.02952	7.6
85.47546	0.4
87.00874	2.2
88.98815	0.6
89.02447	13.9
95.01404	2.3
97.02982	0.3
99.00873	1.7
99.04512	1.6
101.02443	25.7
101.25592	0.3
105.31231	0.2
107.94006	0.2
109.02985	0.3
112.22134	0.3
113.02451	19.1
115.04062	0.3
116.92902	0.3
117.02135	0.3
119.03501	5.5
119.04323	0.3
120.99682	0.9
121.02999	1.0
123.04539	0.5
125.02466	1.2
129.91614	0.3
131.03499	2.1
141.05551	0.3
143.03506	3.8
147.04550	1.0
149.04584	2.4
155.03564	0.7
161.04562	9.2
161.05908	0.6
171.10327	0.7
179.05627	4.5
195.06651	0.4
197.11905	0.4
198.15649	0.3
203.05853	0.3
209.11971	0.8
209.19160	0.9
221.06705	0.9
253.18105	0.6
265.09344	0.5
277.21786	1.1
309.20810	0.3
327.21817	0.5
327.25500	0.6
337.24060	0.7
353.27045	0.6
371.28033	11.3
372.28381	0.3
395.28226	0.4
407.27963	0.3
411.26086	0.5
429.26743	0.9
437.29349	0.9
470.26379	0.3
471.27252	5.4
472.28284	0.4
515.32202	6.3
521.42981	0.3
533.25995	0.5
533.33490	6.1
557.28040	0.3
575.25488	1.9
575.35583	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	575.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52651	0.5
57.03446	4.9
58.00597	1.2
59.01382	98.6
60.01723	0.9
61.98830	4.4
69.03479	0.8
69.11667	0.6
70.38645	2.0
71.01385	12.9
71.05027	1.0
72.99308	11.2
73.02945	2.7
75.00869	0.7
79.05541	0.6
80.80658	0.6
81.03455	1.3
83.01411	1.1
83.05054	2.3
84.02194	0.7
85.02952	19.1
86.17647	0.6
87.00906	2.1
87.04521	0.8
88.98832	1.5
89.02477	2.5
92.85287	0.5
95.05050	1.2
96.96023	0.6
97.02962	1.0
97.06611	4.1
99.00925	1.9
99.04520	14.1
99.99845	0.5
101.02451	3.9
101.06129	1.1
103.04016	27.1
105.49603	0.6
107.05074	0.8
109.03058	0.7
109.06607	1.1
111.04552	1.5
111.08144	0.6
113.02505	2.3
113.06110	0.8
119.03519	0.7
123.04511	0.9
127.11354	0.7
137.06146	1.1
137.09740	1.2
141.05606	1.3
145.05054	0.6
161.09810	0.8
164.07195	0.6
165.12950	0.6
169.12407	1.5
171.10374	2.5
177.09282	1.1
180.08150	0.5
183.14009	0.7
185.11917	1.4
191.14371	3.0
197.11948	1.3
201.11412	0.6
209.11877	1.7
211.13425	5.9
219.14058	1.0
221.11917	0.7
225.14998	1.3
227.12758	0.7
229.14430	4.6
229.16406	0.5
235.13420	2.6
239.12994	1.2
243.16081	0.8
247.08469	1.2
253.14645	2.5
265.06918	0.8
265.09515	3.5
265.12329	0.6
272.01346	0.6
291.19711	3.0
309.20740	3.1
327.16092	0.7
327.21741	13.1
351.22214	2.5
353.23386	1.2
415.21573	1.5
417.23288	0.8
433.22714	1.4
455.21194	0.9
471.27890	0.6
473.22366	2.3
487.23260	0.8
491.23593	1.9
497.25323	2.6
515.23682	2.1
515.28918	0.9
515.33466	3.1
531.28741	1.7
533.27704	12.8
534.28711	1.1
557.27490	1.0
575.31549	100.0
576.32227	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	575.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01380	40.4
60.01728	0.2
66.28056	0.1
69.03466	0.1
71.01386	0.5
72.99309	5.8
80.02687	0.2
81.03449	0.2
81.07103	0.2
83.01377	0.1
83.05035	0.3
85.02515	0.1
85.02953	0.6
87.00877	14.3
87.04514	0.2
88.01196	0.2
97.06606	0.1
98.19945	0.3
99.04518	0.6
129.07071	0.1
131.03513	0.3
147.08185	0.2
147.11806	0.4
151.11295	1.6
181.28145	0.1
185.13423	0.1
187.11343	0.1
193.12350	0.3
197.13420	0.3
201.12772	0.2
203.14500	0.1
209.63336	0.1
225.16478	0.1
229.12372	0.5
231.13797	0.3
257.19131	0.3
259.13409	0.9
263.12708	0.1
269.19171	0.1
277.14343	1.4
278.15201	2.9
285.18814	0.1
287.20081	0.2
297.22211	2.7
298.22562	0.1
309.22513	0.2
310.14102	0.1
317.17548	0.1
319.20618	0.2
337.21667	0.2
337.25345	1.5
339.23206	0.6
339.26831	0.2
349.25339	0.4
353.24896	0.3
355.26349	0.4
365.25018	0.2
367.26343	0.8
381.24261	1.1
383.25964	0.7
385.27542	0.1
393.24609	0.4
399.25214	0.8
411.25446	2.0
422.79025	0.1
429.26431	13.2
430.26785	0.6
431.24509	0.4
435.25403	0.2
441.26392	1.0
453.26346	1.3
471.27475	100.0
472.27835	6.4
473.25571	1.0
515.26007	0.5
533.27527	3.4
534.27954	0.2
575.25916	0.2
575.30139	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91076	0.2
59.01380	0.4
61.98833	0.7
70.07173	0.1
71.01385	0.6
72.99284	0.2
79.01940	0.2
81.03474	0.6
85.02943	1.3
88.83783	0.2
93.03461	0.5
95.01393	0.8
98.19946	0.4
98.20632	0.5
99.00887	0.2
101.02482	0.2
103.05547	1.0
108.02176	30.9
109.02960	10.5
112.84187	0.1
113.02470	0.2
119.05020	1.3
121.02979	0.5
123.00919	0.9
123.03623	0.4
123.04527	6.9
133.03018	0.2
135.00888	0.2
135.04530	0.7
147.04523	100.0
148.04865	1.7
151.04042	0.5
152.01154	21.6
153.01947	5.1
153.05566	8.6
157.55115	0.1
163.04050	0.4
165.01897	0.2
209.11867	0.4
223.50821	0.2
227.12959	0.2
275.72717	0.2
277.21680	1.1
291.19815	0.3
315.07428	0.4
501.57623	0.2
530.10364	0.2
575.28607	33.7
576.28815	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	575.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74841	0.5
52.86991	0.6
55.01870	0.9
57.03454	4.3
58.00601	1.0
59.01379	100.0
60.01704	0.7
61.98840	5.9
69.03472	1.0
69.51355	4.3
71.01380	16.1
71.05022	0.6
72.99300	4.5
73.02948	9.4
75.00883	0.8
81.03476	0.9
83.01391	3.6
83.05060	1.0
85.02953	10.1
87.00907	2.0
88.98833	2.2
89.02439	8.4
89.02921	0.6
95.01405	1.5
96.96017	3.9
97.06615	1.4
99.00906	1.4
99.04540	3.0
101.02444	13.8
101.03096	0.8
103.04012	7.1
103.04656	0.8
108.78417	0.6
111.04565	1.0
113.02450	6.6
119.03558	2.4
120.99705	2.8
125.02470	1.2
129.05623	1.0
135.11789	0.7
142.41209	0.8
143.03568	1.4
161.04642	1.9
161.17583	0.6
176.42612	0.7
191.02219	0.6
198.54779	0.6
205.16234	0.8
217.05240	0.8
221.85822	0.6
251.20427	0.9
265.09247	5.7
265.18295	1.0
279.19974	0.7
283.19330	1.0
291.19824	0.7
295.19595	0.9
304.51840	0.7
307.19342	2.2
309.21188	0.9
327.22012	2.3
335.22409	0.8
351.21939	0.8
353.23199	3.2
369.08411	3.3
369.23013	0.8
383.15927	0.7
422.34134	0.7
489.27365	1.2
491.23657	0.7
513.26886	4.0
531.28094	55.8
532.29120	2.0
533.28516	0.8
575.31488	37.6
576.31854	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	575.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.5
57.03451	2.2
59.01378	100.0
61.57672	0.5
61.98829	14.6
69.03455	0.9
71.01371	4.1
71.05031	1.4
71.54694	0.6
72.99311	1.2
73.02939	1.4
74.09219	0.5
75.00858	1.4
79.05521	0.7
81.03457	4.7
83.01383	0.6
83.05019	7.4
84.02185	0.8
85.02956	3.9
87.00847	0.7
88.98799	0.6
89.02412	0.9
95.05013	2.4
97.02930	1.1
97.06588	1.4
99.04517	36.5
101.02422	2.3
103.03992	2.2
107.05031	1.1
109.02943	0.6
109.06578	5.2
111.03818	0.8
111.04520	7.8
113.02416	0.8
113.06066	1.9
119.05022	4.6
119.08698	0.6
121.06592	0.7
123.04472	0.7
125.06072	1.7
127.03956	1.8
133.06593	4.3
135.04503	0.9
135.08139	2.6
137.06075	4.2
141.04549	1.0
141.05579	15.6
147.08099	1.1
157.10272	0.6
159.08041	0.6
161.09685	1.4
163.04019	3.0
163.07474	0.5
163.11185	0.5
167.07103	1.3
173.09624	0.9
175.07469	0.8
177.09109	2.1
189.09122	1.2
191.10721	2.6
199.11176	0.6
215.10590	0.9
217.12131	1.7
219.10201	2.7
255.13681	0.7
275.04309	0.5
283.13461	0.9
285.14819	1.5
303.15747	2.0
311.16559	1.2
323.16327	0.9
327.21484	1.6
329.17612	4.3
341.17438	0.8
353.17270	1.2
367.18723	1.8
371.18326	1.0
377.26804	0.7
385.16003	0.7
385.20123	8.5
386.20013	0.8
393.20035	1.1
397.19861	1.0
411.21796	3.3
415.21292	2.8
417.22360	2.2
427.21280	0.6
433.22150	2.6
445.21756	1.9
447.23141	1.2
451.22971	1.0
471.23486	2.6
472.60730	0.6
473.22012	3.5
475.22687	0.7
489.24753	4.8
497.25430	7.9
515.25287	2.4
515.32318	1.3
531.27759	0.7
533.27576	37.3
534.27283	1.7
539.26062	1.1
541.37378	0.6
557.26367	1.0
575.24158	50.3
576.24109	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	575.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.5
59.01379	100.0
60.99315	4.2
61.98830	22.1
69.03456	3.4
69.18414	6.4
71.01383	5.7
72.99297	1.0
73.02953	2.8
75.00847	1.4
79.05524	0.8
81.03523	0.9
83.01395	3.1
83.05042	1.6
84.02181	1.4
85.02953	9.7
87.00897	1.8
87.04523	0.9
88.98810	0.7
89.02459	1.9
93.03455	3.2
95.01387	1.5
95.04995	0.8
97.02967	1.1
99.00883	1.3
99.04516	12.6
101.02449	9.8
103.04021	2.8
105.39237	0.6
107.05045	1.8
111.04542	1.4
113.02416	1.0
113.06101	0.7
119.05070	1.6
120.05810	1.2
121.06606	1.1
123.04549	0.8
123.08150	1.3
125.02423	0.8
127.17329	0.7
129.07103	0.7
133.06618	1.3
133.59837	0.7
135.08171	6.6
137.06068	4.2
147.04509	0.9
147.08220	0.7
149.06062	0.7
151.07692	0.8
179.11781	0.7
203.10757	0.8
265.09280	1.6
273.15085	1.6
307.19431	0.9
311.20175	1.0
321.18802	0.8
323.16885	1.2
323.20313	3.3
327.21875	0.7
333.18753	0.8
337.21777	1.3
339.19769	1.2
341.21512	0.7
349.21844	1.2
351.19446	4.8
363.19839	0.7
367.18774	1.0
367.22757	6.9
369.20551	3.7
381.20935	1.5
393.20987	2.9
399.22241	1.0
411.21747	54.1
412.21921	4.2
415.21399	1.5
417.22983	0.8
429.22766	3.2
433.22226	1.7
441.23102	2.1
451.23685	0.9
453.23166	2.9
455.20660	16.1
455.26865	0.9
456.20898	1.1
471.23846	59.7
472.24350	3.9
477.15363	0.7
492.20486	0.8
493.19528	1.5
497.21008	3.4
513.25641	1.2
515.22748	46.9
516.23242	3.6
531.28101	10.1
533.27679	6.4
543.18188	0.8
557.28070	2.7
575.23853	2.5
575.31824	16.5
576.31488	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
59.01382	100.0
60.99319	3.5
61.98829	1.2
62.73572	0.4
63.12011	0.5
69.03456	4.2
69.18551	4.0
69.18969	1.2
71.01389	3.1
72.99326	1.0
73.02966	0.9
79.05515	0.9
83.01405	2.1
83.05028	1.1
84.02185	0.6
84.30400	0.5
85.02952	6.6
87.00900	1.3
89.02464	0.8
93.03456	2.4
95.01398	0.6
95.05014	0.5
97.02956	1.1
99.04562	1.9
101.02441	1.3
101.06100	0.5
103.04021	2.0
107.05023	1.2
109.06599	0.9
111.00938	0.5
111.04538	0.6
113.02492	0.9
119.08701	0.6
120.05810	1.2
133.06589	0.8
135.08163	4.5
137.06114	3.1
149.06102	0.8
161.04576	0.7
185.09766	0.5
189.12869	0.5
197.11775	0.8
201.12889	1.7
229.16003	0.7
231.13980	1.1
240.02818	0.5
253.64780	0.5
267.17569	0.5
273.15100	1.2
323.16830	0.7
323.20108	2.4
327.21970	1.1
337.21814	0.9
339.19766	0.7
341.21353	0.8
349.22012	1.7
351.19608	6.1
367.18781	0.9
367.22845	7.3
369.20728	3.1
381.20966	1.2
393.20673	2.6
399.21933	1.5
411.21756	47.9
412.22235	1.6
425.20053	0.9
427.25110	0.6
429.22272	0.8
441.23022	2.0
453.22928	3.0
455.20712	13.4
471.24170	40.8
472.24481	2.1
497.21805	3.2
515.23132	28.6
515.32300	5.7
516.23236	1.8
533.26910	0.9
533.33673	2.0
535.02582	0.5
575.30225	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	575.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.2
57.03450	16.7
59.01383	4.0
61.98832	5.5
68.95010	0.2
68.99817	0.2
69.03457	0.4
71.01388	1.2
72.99313	0.7
73.02946	0.6
76.21339	0.2
78.95899	0.3
79.67603	0.2
81.03446	0.3
83.05028	0.6
85.02950	0.8
87.00871	0.7
93.03471	0.6
93.15287	0.2
94.44415	0.3
95.01391	0.2
95.05038	0.3
97.02930	0.6
98.19875	0.6
99.00888	1.8
99.04525	0.7
100.01674	0.8
101.02444	100.0
102.02782	0.7
107.05028	0.7
109.02928	0.5
111.04541	1.2
113.02485	0.3
119.05013	0.3
121.02994	1.4
121.06583	0.6
123.04512	0.9
127.03995	0.3
133.06586	0.3
135.04507	0.8
137.02454	0.8
137.06084	0.4
139.04054	0.3
139.07634	0.2
143.05020	0.2
143.08847	0.2
147.04509	0.9
149.06052	1.6
151.04004	0.8
152.65413	0.2
159.04526	0.3
161.06102	0.8
165.05603	0.4
167.03474	0.5
167.07086	0.4
169.12317	0.2
176.04691	0.2
177.05527	0.6
179.07117	0.6
193.05090	1.2
194.05846	1.1
203.07167	0.3
209.11771	0.5
211.06094	0.9
211.13464	0.2
283.22836	0.6
437.15991	0.4
455.17221	0.6
473.18365	2.0
491.18875	1.2
501.17923	0.5
531.31866	0.9
547.21802	0.3
557.20612	0.8
561.02368	0.2
575.20819	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	575.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97438	0.4
55.01877	0.7
55.12786	0.4
57.03437	1.8
59.01378	49.5
60.01719	3.4
61.01805	1.7
61.98828	29.9
71.01379	11.2
71.54456	0.6
72.01730	1.4
73.02946	3.9
74.99076	0.5
80.19256	0.4
83.01404	1.2
85.02936	5.2
87.00899	0.6
89.02444	3.3
93.03460	0.8
95.01398	0.6
96.96017	2.1
99.00886	0.9
99.04524	1.6
101.02444	7.3
102.02745	1.1
103.02887	0.5
103.04018	0.6
107.00207	0.4
108.02212	0.6
109.02934	0.6
113.02440	4.7
114.02789	0.7
116.92885	0.6
118.98094	0.8
119.03487	1.0
119.05004	1.3
121.02956	7.1
123.04529	0.8
125.02418	1.0
131.02625	0.5
134.03757	0.8
135.04469	0.4
143.03516	1.0
145.02924	3.4
147.04527	4.4
148.05298	3.9
149.02446	0.5
150.03258	0.6
150.28712	0.4
151.00415	0.4
151.04002	0.9
159.03018	0.9
159.04546	0.6
160.05319	1.3
161.04568	7.6
161.05956	0.9
162.03230	1.6
162.04796	2.2
162.06883	0.8
163.03857	0.5
163.05099	0.7
163.07622	0.5
165.05508	0.5
165.79140	0.5
173.02425	1.1
174.03235	0.5
176.04784	2.7
179.05627	0.6
180.04237	1.4
190.06261	0.5
191.03506	6.2
191.07135	10.4
192.04288	2.9
193.05017	0.6
194.05772	1.5
195.04437	0.5
195.08235	0.7
206.05829	2.2
206.07509	0.5
207.06537	1.0
207.08264	1.3
209.06058	1.2
210.06953	0.7
211.07642	1.3
219.08160	0.5
220.03647	2.6
221.06035	2.5
222.06818	1.0
223.07710	2.7
224.03163	1.2
225.05518	0.8
233.04298	0.7
233.06293	1.0
234.05084	0.6
235.06056	2.0
235.07697	2.3
237.05582	2.9
237.09196	0.6
238.04474	3.1
239.07112	5.8
239.78812	0.4
240.04436	0.5
247.07777	0.4
248.04764	0.9
249.05569	4.2
250.06293	2.8
251.07109	13.4
252.07916	1.3
253.08646	1.9
261.05582	1.2
262.06339	2.1
263.07117	6.6
264.07941	4.1
265.05124	3.7
265.08575	2.2
266.05823	9.5
266.08978	0.7
267.06601	27.8
268.07187	2.3
276.04459	0.8
276.07874	0.4
277.05090	2.8
277.08505	0.7
278.05801	1.9
278.09375	1.0
279.06610	20.5
280.07199	1.2
281.08151	8.5
282.08963	16.2
283.09500	1.3
293.04822	0.8
293.08176	1.9
294.05338	18.5
294.08945	8.0
295.06119	6.5
295.09360	0.4
296.10583	1.0
297.07977	0.9
297.11282	6.6
306.05414	0.8
307.06119	3.4
308.06839	1.4
309.07669	27.2
309.10849	0.9
310.04703	1.1
310.08420	3.9
311.05554	2.4
320.06863	0.6
321.07690	4.1
322.08414	5.0
323.05606	15.9
323.09167	2.2
324.05994	0.9
324.09604	0.5
325.07141	5.3
326.07901	11.0
327.08633	1.2
327.12357	3.3
337.07187	2.6
338.07941	36.6
339.08215	1.3
340.09622	2.4
341.10278	76.3
342.10550	3.4
353.10272	100.0
354.10703	4.5
365.10336	0.5
371.11319	73.4
372.11661	3.0
395.11356	1.0
413.22537	0.5
431.23169	0.5
513.30896	1.0
514.30951	7.1
515.15417	0.9
515.31311	8.5
533.16327	0.9
539.33704	0.5
545.16669	2.8
575.17609	20.5
575.25879	1.1
575.31439	1.4
576.18140	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
60.34414	0.6
61.98832	100.0
63.49871	0.6
70.02224	0.5
71.42750	1.0
71.98529	0.5
78.95860	0.6
97.76558	0.5
142.84210	0.6
160.58405	0.7
247.43251	0.6
282.60037	0.6
296.69064	0.5
303.48807	0.6
515.33771	0.8
516.34070	3.7
577.91431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87262	0.2
57.03468	1.0
58.74882	0.2
59.01379	4.7
61.98830	3.1
63.90773	0.3
69.49893	1.7
71.01411	1.1
73.02991	0.8
77.23620	0.3
81.03467	0.3
85.02980	1.1
89.02484	1.0
93.03495	0.3
95.01352	0.3
96.96019	1.5
98.19926	0.5
99.00888	0.3
99.04525	0.6
101.02486	0.9
103.04070	0.2
111.04674	0.3
113.02486	0.8
116.92854	0.4
119.03531	0.5
119.05075	0.5
121.02943	2.3
121.65412	0.2
124.19336	0.2
130.50111	0.2
134.03748	0.7
135.04515	0.3
137.68213	0.3
139.92683	0.3
145.02921	1.2
147.04510	0.5
148.05424	0.3
149.06055	0.3
159.04480	0.3
160.05333	0.9
161.04568	0.5
167.08722	0.3
181.06731	0.3
189.28133	0.3
191.03456	0.3
191.07155	0.4
192.04239	0.6
193.05103	0.9
195.04559	0.3
195.08153	1.1
196.05251	0.3
197.06058	0.4
205.06624	0.3
206.07384	0.5
207.08179	1.6
209.06094	1.0
211.07758	1.3
220.03595	0.3
221.06096	1.3
222.06807	0.9
223.07603	3.1
224.04781	0.7
225.05519	0.6
233.06187	1.3
233.08109	0.3
234.06873	0.8
235.07689	3.1
236.08424	0.4
237.05602	1.6
238.06384	0.9
238.09956	0.3
239.07108	5.8
247.07594	0.4
248.04749	0.5
249.05550	3.3
250.06384	2.3
251.07121	13.8
252.04292	0.4
252.07764	1.2
253.08731	0.6
261.05542	1.2
262.06345	2.4
263.07108	6.6
264.04889	0.4
264.07861	2.9
265.05237	1.5
265.08615	1.6
266.05875	3.4
266.09055	0.3
267.06607	24.9
268.07034	0.9
276.07886	0.6
277.05121	0.7
277.08810	0.9
278.06305	1.3
278.09500	1.2
279.06622	23.0
280.07059	0.6
281.08197	3.0
282.08966	12.1
283.09470	0.5
293.04935	0.5
293.08270	1.9
294.05359	7.8
294.08997	8.1
294.12271	0.5
295.06088	9.3
295.08981	0.4
296.10617	0.5
297.07892	0.5
297.11282	5.1
297.14462	0.4
306.05365	1.1
307.06137	4.4
308.06830	1.9
309.07684	9.3
309.11227	0.6
310.08401	3.4
311.05661	2.6
311.08881	0.5
320.06717	0.3
321.07629	1.8
322.04675	0.5
322.08420	8.7
323.05600	22.7
323.09143	2.5
324.05997	0.9
325.07211	0.7
326.07944	9.4
337.07147	2.3
338.07950	21.5
339.08246	1.1
340.09665	0.8
341.10281	60.8
342.10757	2.2
353.10284	100.0
354.10672	3.7
371.11383	4.6
394.67633	0.3
413.22427	0.3
485.14392	0.7
515.15344	0.8
515.22003	0.7
545.16791	1.3
550.72247	0.3
575.15826	0.6
575.30518	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.9
61.98830	100.0
66.25583	0.3
67.78954	0.3
69.98878	1.3
78.95929	0.7
85.02943	0.6
98.20570	0.4
98.40458	0.3
108.02182	5.3
108.77200	0.3
109.02946	1.8
123.04558	0.6
138.54338	0.3
147.04529	4.6
149.56647	0.3
152.01144	4.0
152.99651	0.5
153.01926	0.7
153.05617	1.0
208.69452	0.3
209.27864	0.3
210.07138	0.3
235.42279	0.4
256.23798	0.4
277.21762	0.4
279.23416	1.0
285.09531	0.3
300.24524	0.4
516.33820	0.7
547.12793	0.3
551.84528	0.3
574.29651	1.7
575.28497	5.6
578.91589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
58.00598	0.2
59.01378	100.0
60.01706	0.6
61.98839	1.4
63.70613	0.2
69.03460	0.2
69.41747	0.9
69.42162	0.6
71.01379	18.9
72.99308	0.5
73.02943	6.6
74.99097	1.2
75.00887	0.3
83.01382	2.9
85.02947	9.1
87.00883	1.0
89.02441	2.9
95.01387	1.5
96.96030	0.7
97.02953	0.6
97.07941	0.2
98.20480	0.7
99.00887	2.4
99.04525	0.3
99.89503	0.2
101.02441	15.9
102.02795	0.3
113.02444	8.9
116.92840	0.4
119.03525	0.8
120.72925	0.2
125.02444	0.8
129.01984	0.5
136.99144	1.0
143.03508	1.7
159.02979	2.9
161.04549	23.4
162.04848	0.2
162.72386	0.2
179.05573	0.6
205.03596	0.4
267.08801	0.2
333.24194	0.2
339.79675	0.2
351.25320	1.4
353.64932	0.2
411.71518	0.2
469.22247	0.3
513.30634	39.1
514.30908	2.7
529.24573	0.6
573.23547	0.8
573.31989	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.1
59.01381	26.2
60.01703	0.9
61.98830	100.0
71.01382	6.8
72.99323	1.3
73.02947	2.3
76.03319	0.5
79.36916	0.5
83.01408	0.5
85.02948	5.0
87.00892	0.7
88.98814	0.9
89.02437	3.1
96.96041	0.6
97.02982	0.7
98.20660	1.1
99.04522	2.6
101.02431	4.4
103.04011	7.7
107.04987	0.5
111.00859	0.5
113.02453	2.4
118.08266	0.4
119.03497	1.0
119.04937	0.7
125.02466	0.6
136.05348	0.5
138.06885	0.6
139.07681	0.9
151.07669	1.9
152.08499	0.6
161.04591	1.2
163.04002	0.6
179.05621	0.6
189.09186	0.6
200.20619	0.5
201.12881	1.2
203.10886	0.6
204.11444	1.2
219.13852	2.7
244.27676	0.5
245.11839	1.3
263.12912	2.4
265.09290	9.9
267.46112	0.5
287.13107	0.8
305.14182	0.6
308.12997	0.6
352.98984	0.5
471.24677	0.6
511.21820	34.9
512.22577	2.0
513.30469	0.6
514.30878	1.1
530.26593	2.4
531.28003	4.2
533.27612	1.4
573.30023	0.5
574.30328	4.9
574.73407	0.6
575.24347	1.0
575.31543	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
58.00585	0.7
59.01379	65.3
61.91299	0.6
61.98827	6.5
64.65358	0.5
69.77052	2.2
69.77458	1.3
71.01382	27.9
71.84821	0.7
72.99314	1.0
73.02946	11.2
74.63387	0.6
74.99053	0.7
75.00902	0.8
83.01382	4.9
83.04983	0.6
85.02953	13.8
87.00883	1.8
89.02440	9.7
89.65509	0.5
95.01394	2.1
96.96019	6.1
97.02944	1.1
99.00873	3.3
99.04499	1.3
101.02444	23.9
113.01726	0.9
113.02458	12.1
115.04014	1.5
118.42667	0.6
119.03508	3.8
136.69113	0.6
136.99146	1.3
143.03471	1.8
159.02983	1.5
161.04558	11.3
161.05870	0.7
179.05602	1.2
247.71172	0.6
287.20157	0.6
289.18063	1.4
294.32144	0.7
307.19162	3.9
325.45935	0.6
331.15039	0.6
333.24280	0.6
351.25342	2.9
417.55786	0.7
513.30664	100.0
514.31165	6.1
529.26636	7.9
530.26953	0.7
537.23419	2.6
537.32306	0.9
573.21027	0.9
573.29742	6.7
586.27045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	46.2
60.99308	15.4
61.62849	1.1
61.98832	20.3
69.18800	5.1
69.19225	3.9
85.02957	5.0
85.55383	1.1
87.00869	1.7
87.04508	2.9
88.00404	5.1
88.98808	100.0
89.02443	37.6
89.02891	1.2
99.04504	2.6
113.04111	1.0
147.04507	3.5
206.24387	1.0
209.11847	1.1
244.68567	1.1
454.10388	1.1
481.29102	1.4
573.23499	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	573.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43475	0.7
53.64953	0.8
57.03435	3.0
58.00586	1.6
59.01381	100.0
61.98830	21.5
69.03461	1.5
69.55701	5.5
71.01382	27.3
72.99301	1.8
73.02948	27.3
75.00859	1.4
81.03463	0.8
83.01376	8.3
83.05021	1.4
85.02954	11.4
87.00906	2.2
88.98815	1.7
89.02447	9.9
93.03500	1.0
95.01414	1.3
95.05038	1.3
95.96425	0.9
96.96027	3.0
97.06604	1.4
98.20211	3.0
99.00891	2.8
99.04532	9.3
101.02441	26.5
103.04003	3.6
105.38377	0.8
109.02924	0.9
111.00813	0.7
111.04500	1.1
113.02460	9.4
116.39488	0.8
119.03499	2.9
119.05029	1.4
121.06593	0.8
125.02407	1.2
131.03514	1.6
137.09706	1.5
143.86823	0.9
156.64731	0.8
159.03030	0.9
161.04549	5.5
176.34380	0.8
179.05641	1.1
191.06990	0.8
201.12834	1.7
219.13934	1.6
221.15434	1.8
245.18938	1.2
263.12750	1.4
263.20123	0.9
265.09393	2.7
289.18002	1.4
307.19177	6.8
324.92084	0.9
401.23199	4.2
427.20883	1.5
429.22379	0.9
445.22180	4.9
469.24039	1.6
473.21805	9.0
483.34470	1.0
487.24673	3.0
511.21362	10.8
513.30780	16.1
514.30988	1.2
529.26526	87.8
530.26678	5.5
555.25903	9.1
573.23267	9.5
573.29449	9.1
574.26465	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40806	1.5
54.06877	1.3
59.01381	82.0
61.98829	32.0
63.99245	3.8
66.98161	1.4
69.19784	12.2
71.01381	26.7
72.99308	7.3
73.02937	7.6
75.00857	2.5
77.61033	1.2
79.05520	1.7
81.03434	3.2
83.01400	3.2
83.05015	6.1
85.02955	18.9
86.00072	1.6
86.60598	1.4
87.00880	2.9
87.04515	3.2
88.98797	5.2
89.02459	7.7
91.33683	1.2
95.05026	2.8
96.96008	5.0
97.06563	3.1
99.00883	3.3
99.04523	33.2
101.02460	14.9
103.03979	2.2
107.05029	2.8
109.02963	2.7
109.06581	1.6
111.04509	1.6
113.02464	8.7
119.03486	2.5
119.05005	2.2
121.02980	2.6
125.02499	1.7
125.06088	2.1
127.03999	1.4
133.06589	6.4
135.04475	3.0
135.08133	2.8
137.09679	1.4
141.05569	2.7
147.08162	2.6
149.04503	1.3
149.05945	1.5
151.07658	1.8
159.08168	6.8
161.04579	8.2
161.05754	1.6
161.09743	4.2
163.11263	1.6
165.09232	1.6
173.09697	2.0
177.09245	2.0
187.11272	5.7
189.09171	2.6
191.10776	1.4
193.08568	1.5
199.07655	1.4
202.59822	1.6
205.12289	1.6
205.73576	1.4
215.10643	3.4
223.13400	3.4
267.12225	1.8
272.09076	1.4
351.25317	5.4
401.18277	1.5
401.23291	20.2
405.22644	1.6
407.16986	4.4
427.21173	4.0
428.36169	1.7
441.22577	1.6
445.16574	2.1
445.22318	31.2
459.19690	1.7
469.22037	1.9
487.23312	21.2
489.24936	1.5
513.30865	39.9
514.30902	1.6
529.24640	4.5
531.26563	12.4
537.25055	1.7
541.24512	3.9
555.26697	10.0
573.23230	100.0
574.24451	5.3
574.33563	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	573.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55667	2.0
55.79442	2.2
59.01369	7.3
67.80020	2.0
69.56499	13.9
71.01385	7.7
72.99257	3.3
83.01403	2.5
85.02939	4.8
87.00879	2.9
88.98795	13.3
89.02460	3.9
96.95995	2.5
101.02432	3.6
107.81783	2.1
108.02193	2.5
108.65212	2.4
113.02383	2.8
131.05034	3.2
134.03716	7.9
148.05280	22.6
149.02435	2.5
150.03160	2.4
160.01636	2.6
161.02417	4.4
161.24741	2.3
162.03220	18.4
163.07721	2.6
164.04745	5.1
164.07146	2.9
175.02525	5.4
175.04047	7.5
176.01086	2.0
177.05542	32.6
188.04752	3.1
191.07094	6.6
194.02190	4.0
195.06525	5.2
204.04195	3.5
207.06650	15.3
211.44949	2.1
212.04903	3.5
218.05981	2.7
219.06506	3.2
223.06058	6.0
232.03752	8.0
235.06143	3.8
245.08151	5.2
247.06116	26.0
249.07610	6.2
251.05602	100.0
259.06119	5.0
263.09244	3.6
271.05978	6.7
285.07736	7.0
289.07175	8.3
291.05093	36.8
301.07016	3.1
303.08563	4.6
307.08386	6.4
349.09149	9.2
351.07205	49.8
469.13275	10.1
513.12463	26.0
514.13141	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	572.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25613	0.2
57.46072	0.2
58.28266	0.2
59.01378	4.2
60.01697	0.3
61.98830	100.0
67.87178	0.2
69.24903	1.9
78.95919	0.6
79.62914	0.2
98.19916	0.4
99.04504	1.2
100.04829	0.3
108.84109	0.2
109.08157	0.2
112.14025	0.2
118.17625	0.2
152.99615	0.6
156.88185	0.2
175.99144	0.2
179.58057	0.2
189.05643	0.7
277.21808	1.2
278.22168	1.1
331.83694	0.2
515.33978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.0
60.99303	0.4
61.98830	100.0
63.09003	0.2
71.01377	1.0
72.99310	0.3
73.02979	0.3
78.13422	0.2
78.69351	0.2
79.05552	0.2
85.02966	0.9
87.00872	0.4
88.98813	1.8
89.02438	0.5
99.00850	0.2
99.04515	1.7
100.11983	0.2
101.02446	0.4
101.06077	2.6
102.02757	0.3
113.02442	0.3
114.15292	0.2
119.03603	0.2
132.49722	0.2
147.08203	0.2
161.04558	0.2
187.11249	0.2
191.10774	0.2
284.16937	0.2
297.14487	0.2
303.61905	0.2
349.24182	0.2
350.24377	0.3
374.43256	0.2
445.22266	1.0
487.27213	0.6
510.27704	0.3
512.29327	1.1
531.26410	0.3
555.26355	0.6
572.25201	1.8
573.27087	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	571.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.49854	0.3
60.01699	0.3
61.98836	2.3
71.53284	0.4
71.53623	0.4
78.95899	2.9
96.96976	0.4
97.06606	0.8
112.52626	0.3
114.56895	0.3
118.43676	0.4
152.99577	3.9
199.53096	0.3
243.89182	0.4
255.23325	0.4
409.23672	1.3
429.30002	0.5
451.32397	1.1
469.33295	1.2
511.34494	1.6
559.65125	0.4
571.29205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28717	0.9
59.01379	76.1
59.07125	0.8
59.35954	0.7
61.98828	2.6
70.49541	2.8
78.95916	9.7
101.06081	100.0
102.06438	1.2
152.99582	12.4
158.17210	0.7
169.56630	0.9
194.81805	0.8
255.23265	1.9
277.21567	1.2
306.61005	0.8
409.23566	8.0
511.30630	14.0
512.31219	1.6
571.28571	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	571.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48844	0.2
56.38435	0.1
57.19668	0.1
59.01379	42.7
60.78516	0.1
66.19212	0.2
69.04752	0.1
69.17168	1.6
70.19893	0.1
74.61949	0.2
78.95904	7.3
80.17941	0.2
83.05036	0.3
96.96954	1.3
98.19856	0.3
101.06080	100.0
102.06426	1.0
152.99579	7.2
171.00523	0.2
223.00125	0.3
241.01187	3.5
255.23300	8.5
315.04813	1.1
345.18484	0.3
361.21802	0.8
379.22504	0.2
391.22165	0.4
427.24826	2.5
428.24710	0.2
445.25940	0.9
511.30643	10.2
512.30573	0.7
529.31683	9.6
530.32117	0.8
571.28442	10.3
572.28638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.312
Annotation	Crenulatoside C
Peak:m/z	Relative Intensity
52.18825	0.4
55.01877	1.6
57.03435	1.2
59.01380	100.0
61.98830	6.5
69.03459	0.6
71.01383	24.8
72.99310	1.1
73.02946	8.0
74.62785	0.4
74.99088	0.6
75.00887	1.7
82.95430	0.9
83.01398	3.9
83.05069	0.6
85.02955	10.3
87.00882	1.0
88.98821	0.4
89.02443	5.4
95.01413	1.9
95.73918	0.4
96.96014	5.5
97.02955	0.8
99.00866	3.7
99.04538	1.0
101.02444	17.0
113.02443	12.1
116.92883	0.7
119.03516	1.9
122.81214	0.5
125.02469	0.8
129.02025	0.8
131.03549	0.6
134.03787	0.5
143.03522	1.8
150.03267	1.5
159.02991	2.8
161.04558	26.9
162.04959	0.6
164.04819	0.5
165.05591	1.8
179.05650	1.8
193.05081	0.9
195.06595	0.8
205.03481	1.2
210.18996	0.4
219.76591	0.4
234.51128	0.4
255.81856	0.4
265.09494	0.5
271.09717	0.5
308.39905	0.4
329.90320	0.5
349.23807	2.2
511.29089	37.7
512.29474	1.6
571.28314	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	571.3121
Annotation	Crenulatoside C
Peak:m/z	Relative Intensity
55.01871	2.4
57.03450	1.8
58.00607	0.5
59.01379	100.0
61.98824	3.6
65.55973	0.6
69.28473	3.7
69.28893	2.1
71.01379	38.7
72.34570	0.7
72.99332	1.1
73.02942	11.8
75.00893	1.1
83.01389	4.9
84.02201	0.6
85.02946	17.9
87.00880	2.6
89.02441	6.8
92.32957	0.6
92.33546	0.6
95.01396	2.5
96.95995	0.6
97.02999	0.9
98.19952	1.5
98.20644	1.8
99.00868	5.6
99.04539	1.7
101.02442	30.5
110.02505	0.8
113.02448	16.7
115.04037	0.7
118.72506	0.6
119.03529	2.2
121.03019	0.7
125.02479	1.3
133.51772	0.6
135.41086	0.6
143.03502	2.9
154.73390	0.6
159.02965	5.5
161.04550	38.0
179.05647	1.6
191.99393	0.7
205.03510	1.2
210.15273	0.6
216.55246	0.6
314.51968	0.6
331.22733	3.7
337.62897	0.6
349.24039	2.4
375.21875	0.7
445.22208	1.1
493.28052	11.4
511.29092	46.8
512.29724	2.0
527.24603	0.8
533.24042	1.7
571.23566	1.0
571.31525	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3117
Annotation	Crenulatoside C
Peak:m/z	Relative Intensity
55.01860	2.4
57.03443	1.7
58.00581	0.9
59.01379	88.5
60.02020	0.7
61.98810	2.1
69.56978	4.1
69.93296	0.8
71.01382	28.3
72.99283	0.8
73.02950	10.7
83.01394	4.2
85.02952	14.0
87.00874	1.9
89.02444	12.9
95.01386	2.0
96.95998	2.3
98.19997	1.8
99.00872	2.5
99.04499	1.0
101.01804	1.3
101.02447	25.2
104.74046	0.9
113.02450	13.2
119.03480	5.4
125.02448	0.9
129.01862	0.8
143.03484	1.9
159.02980	2.4
160.18712	0.8
161.04547	12.8
166.77786	0.8
172.08513	0.8
179.05583	2.3
203.89859	0.8
232.68877	0.8
349.23798	4.1
407.52301	0.9
472.72101	1.0
511.29108	100.0
512.29218	7.1
571.27478	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	571.312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18825	0.4
55.01877	1.6
57.03435	1.2
59.01380	100.0
61.98830	6.5
69.03459	0.6
71.01383	24.8
72.99310	1.1
73.02946	8.0
74.62785	0.4
74.99088	0.6
75.00887	1.7
82.95430	0.9
83.01398	3.9
83.05069	0.6
85.02955	10.3
87.00882	1.0
88.98821	0.4
89.02443	5.4
95.01413	1.9
95.73918	0.4
96.96014	5.5
97.02955	0.8
99.00866	3.7
99.04538	1.0
101.02444	17.0
113.02443	12.1
116.92883	0.7
119.03516	1.9
122.81214	0.5
125.02469	0.8
129.02025	0.8
131.03549	0.6
134.03787	0.5
143.03522	1.8
150.03267	1.5
159.02991	2.8
161.04558	26.9
162.04959	0.6
164.04819	0.5
165.05591	1.8
179.05650	1.8
193.05081	0.9
195.06595	0.8
205.03481	1.2
210.18996	0.4
219.76591	0.4
234.51128	0.4
255.81856	0.4
265.09494	0.5
271.09717	0.5
308.39905	0.4
329.90320	0.5
349.23807	2.2
511.29089	37.7
512.29474	1.6
571.28314	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	571.2912
Annotation	Ganoderic acid H
Peak:m/z	Relative Intensity
50.45231	0.2
56.87696	0.2
59.01113	0.3
59.01384	4.3
61.57911	0.2
61.98527	0.2
61.98820	1.1
69.13667	0.9
69.14088	1.8
71.01387	0.6
79.05519	2.1
83.05025	1.2
85.02943	0.7
85.06602	0.2
87.04514	85.6
88.04847	0.5
95.05036	0.6
97.06599	0.8
99.04502	1.6
111.04491	0.3
111.08148	0.3
119.05023	0.3
121.02915	0.3
121.06631	0.3
123.04503	0.5
124.05318	0.3
125.06070	0.6
135.08183	0.3
137.06038	0.5
145.06615	0.6
160.05307	0.4
161.05998	0.4
161.09744	0.5
163.11269	0.3
185.09744	0.8
187.07642	1.2
187.11201	0.4
191.10716	0.4
201.09216	0.5
215.07137	0.5
227.10593	0.3
230.09485	1.1
236.97833	0.3
265.12283	1.3
283.13351	1.8
289.14471	0.9
291.13879	1.1
309.14880	4.3
309.18060	0.3
327.15894	0.6
423.21802	0.6
439.21063	0.6
441.22949	2.1
443.20807	0.7
457.22415	0.8
459.23990	1.2
507.74603	0.3
511.27170	0.8
527.26563	0.6
529.28021	100.0
530.28448	5.3
539.26007	1.2
571.29333	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	571.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01379	100.0
60.01706	0.6
61.98832	3.3
63.99265	0.3
65.34431	0.2
67.01901	0.3
69.03458	0.2
71.01403	0.6
71.51833	0.2
74.51508	0.2
75.76805	0.2
79.05538	0.4
81.03455	0.2
83.05045	0.9
85.02952	6.1
86.03290	1.3
87.03387	0.3
87.04519	4.7
87.05064	0.3
95.05003	0.4
96.77579	0.2
97.06623	0.6
99.04519	8.8
100.30042	0.2
101.02438	0.4
107.05033	1.2
109.06631	0.3
111.04523	0.5
116.87283	0.2
121.02986	0.3
123.04518	1.0
125.06116	0.9
133.06660	0.3
135.04507	2.4
141.05545	0.3
145.06627	0.2
147.08244	0.3
149.06119	0.4
151.04027	0.4
161.06123	0.4
163.07671	0.5
175.04028	0.3
193.05112	0.3
201.09198	0.2
204.11961	0.2
209.11636	0.3
217.12390	0.6
265.12402	0.3
283.13501	0.4
309.15131	0.3
391.19482	0.6
394.37402	0.2
409.20413	0.3
419.18732	0.7
433.20459	0.3
437.19598	1.4
439.21344	0.5
443.23398	0.3
451.21289	1.4
457.22287	2.5
458.23157	0.3
479.20764	3.6
480.21530	0.4
497.21796	5.0
497.28769	0.3
498.22281	0.6
515.23193	0.6
527.26569	0.3
528.27008	0.9
529.27612	13.5
530.28052	0.5
535.29584	0.7
539.27197	6.9
540.26410	0.4
571.27399	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2181
Annotation	Kadsurarin
Peak:m/z	Relative Intensity
50.91507	0.3
54.84217	0.3
58.78735	0.2
59.01377	1.2
61.98833	3.3
63.61571	0.3
63.99250	0.4
69.03457	0.3
71.01382	3.8
71.52849	0.3
73.02949	0.6
75.78557	0.2
79.05540	1.1
83.01373	0.5
83.05028	1.0
85.02950	58.1
86.03275	0.3
93.03466	0.6
95.05032	1.8
99.00882	15.6
99.04538	0.7
109.02946	0.6
111.04514	1.0
113.06084	1.9
114.17316	0.3
121.02960	0.7
121.06591	2.8
125.09737	0.5
130.26909	0.3
133.06604	0.4
135.04521	2.9
145.06635	0.3
145.10246	0.4
147.08109	0.4
149.06047	1.3
151.07628	0.5
152.38640	0.3
157.10405	0.2
159.04494	0.6
159.08105	0.3
161.06107	1.0
164.04811	1.0
172.05261	0.3
175.04042	0.3
177.05635	0.4
183.08141	0.5
185.06068	0.4
185.09740	0.3
187.07661	0.3
193.05057	0.3
195.08125	0.3
197.09795	0.4
199.07671	0.3
199.11281	1.2
201.09183	0.6
203.07072	0.3
209.09673	0.7
209.11668	0.4
210.06886	0.7
211.07668	1.2
212.08450	0.6
213.09135	0.5
221.09877	0.3
223.07646	0.3
225.09137	0.4
227.10747	3.2
237.09203	0.8
239.10791	1.0
241.08688	0.3
251.06956	0.3
255.10281	1.0
263.10886	0.3
265.08792	0.6
266.09641	0.5
268.07364	0.7
273.11295	0.4
281.11670	0.5
283.09674	1.3
294.08859	0.7
305.90323	0.3
309.11490	0.4
339.15305	0.3
343.11676	1.9
361.12570	0.7
371.11261	1.7
375.60522	0.3
389.12418	10.2
390.12744	0.5
427.21216	0.5
429.19394	0.4
453.19250	0.5
457.18707	0.9
471.20279	0.6
483.20831	0.3
485.18130	7.3
485.25046	0.5
486.18546	0.6
509.21765	0.6
543.22620	0.5
553.20721	1.3
571.21802	100.0
572.22101	7.2
572.30615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.98828	100.0
69.19942	0.9
71.01382	0.2
85.02948	0.1
87.00874	0.1
99.04522	0.2
101.02455	0.1
143.08467	0.1
197.84143	0.1
455.03204	0.1
510.36572	0.1
511.29852	0.2
570.27985	0.3
571.26941	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13591	1.6
57.09188	1.7
58.18792	1.6
59.01378	22.6
61.98824	6.8
69.03455	3.3
71.01383	6.4
80.96513	1.9
85.02953	15.6
85.95293	1.7
89.34183	1.6
95.01385	14.1
99.04537	8.5
108.02175	100.0
109.02956	83.2
113.02463	2.9
123.00870	11.5
123.04410	1.9
151.04056	8.1
153.01910	4.4
161.04597	2.1
163.03970	2.6
169.05026	2.3
203.73854	1.7
255.23280	50.5
266.99362	1.7
412.62921	1.6
429.03375	1.8
509.31088	10.8
527.29999	2.2
569.29761	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	569.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66444	0.4
59.01378	58.4
66.20882	0.3
69.21764	2.7
75.01761	0.3
98.20673	0.7
99.04517	100.0
100.04866	0.8
101.02436	1.5
110.74361	0.3
115.92038	0.5
120.32545	0.4
171.16696	0.4
269.60568	0.4
273.68970	0.3
274.89496	0.3
318.36151	0.3
337.21741	0.5
341.24457	0.3
365.20901	0.9
391.22424	0.5
427.24478	1.0
480.28351	0.4
509.29031	17.0
510.29129	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21373	0.1
57.03444	0.1
59.01379	59.2
60.01714	0.3
69.17380	1.0
71.01385	0.3
79.46279	0.1
81.03448	0.2
83.05022	1.3
84.44460	0.1
85.02997	0.1
95.04994	0.1
99.04520	100.0
100.04828	0.9
111.08156	0.2
119.05000	0.2
139.07655	0.2
147.08199	0.2
173.09795	0.2
203.10773	0.2
269.58887	0.1
295.17017	0.5
319.17181	0.2
319.20651	0.2
335.20041	0.6
343.20691	0.1
345.18558	0.7
347.20114	0.4
353.21097	0.2
361.21695	2.6
379.22736	0.3
415.24658	0.3
427.24869	4.6
428.25214	0.2
445.25931	8.6
446.26193	0.4
509.29050	14.8
510.29379	0.8
527.30109	14.6
528.30444	0.8
569.31390	1.8
570.31256	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
57.03433	3.7
58.00591	2.0
59.01381	100.0
61.98832	33.5
63.93496	1.4
70.83099	1.1
71.01382	48.8
71.30364	1.9
72.99292	4.4
73.02944	9.7
74.86741	1.1
75.00881	2.2
83.01382	5.1
85.02950	22.3
87.00883	16.1
87.04564	1.4
88.98788	6.5
89.02451	31.5
95.01413	2.9
96.95985	3.9
97.06572	1.3
99.00863	3.1
99.04490	2.6
101.02451	35.3
103.03954	1.7
108.02225	2.5
109.02962	1.5
111.00887	2.2
111.04523	1.8
113.01736	1.8
113.02461	20.9
116.92838	1.4
119.03515	13.9
119.04979	2.1
121.02920	3.3
125.02438	4.0
129.01924	4.4
134.03685	2.5
135.04524	3.2
137.02405	2.0
137.06026	2.9
139.07675	1.6
143.03482	4.1
147.04501	2.7
148.05220	2.2
149.06053	3.5
152.07191	1.6
159.03000	5.5
161.02451	2.4
161.04550	19.5
163.04048	2.0
168.00638	2.2
173.06123	1.2
175.03854	1.3
179.05659	6.9
181.05060	3.8
187.03911	2.5
188.04794	9.0
191.03499	2.8
193.05046	2.1
201.05649	1.8
205.05055	5.7
206.05817	1.6
207.06641	2.4
224.41071	1.4
265.09274	1.7
273.17032	3.5
299.20139	7.6
317.21170	4.9
322.61615	1.3
325.11389	1.3
342.11453	1.7
347.22385	8.3
365.19571	2.6
412.10010	12.0
507.28253	3.1
509.27554	93.4
510.27838	3.7
525.24658	2.4
569.24115	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	569.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55430	0.4
59.01380	3.8
61.98828	11.6
70.68935	0.3
74.17818	0.3
79.05539	0.8
83.04990	0.8
85.02949	90.1
86.03291	0.6
87.04504	0.3
87.23383	0.3
91.75607	0.3
98.20511	1.5
99.04484	0.5
121.06561	0.5
125.06066	0.5
137.06012	0.3
145.06511	0.4
176.53044	0.3
187.07660	0.7
199.07919	0.3
201.08983	0.5
205.12131	0.3
228.07762	0.4
237.44379	0.4
265.12256	0.7
283.13235	0.7
287.12833	0.9
309.14960	1.4
347.20288	0.5
381.26428	0.4
439.20999	0.6
441.22690	1.4
443.20752	0.8
509.25223	2.8
510.25107	0.4
525.24390	0.5
527.26459	100.0
528.26880	7.0
540.43060	0.3
544.00470	0.3
569.27759	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	569.218
Annotation	9,9'-Dibenzoylsecoisolariciresinol
Peak:m/z	Relative Intensity
53.58282	0.1
54.17235	0.1
59.01381	0.2
59.95095	0.1
60.83230	0.1
61.98823	0.1
63.27707	0.2
70.30927	0.3
76.51475	0.1
77.03957	0.2
78.95914	0.2
79.32658	0.1
93.03466	0.5
99.04546	0.3
105.07928	0.1
121.02959	100.0
122.03302	1.3
175.70003	0.2
205.76033	0.2
271.76831	0.1
289.74326	0.1
299.47098	0.1
324.10971	0.2
447.17966	1.2
554.19513	0.3
569.21661	3.4
570.21973	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39997	0.2
55.01878	2.0
56.94913	0.2
56.99834	0.3
57.03446	12.5
58.68231	0.2
59.01377	3.9
61.98834	0.5
68.99814	0.6
69.35975	0.6
69.36387	1.3
71.01379	3.1
72.99309	0.6
73.02940	0.7
75.00864	0.7
79.95735	0.4
83.01387	4.0
84.02169	2.1
85.02949	100.0
86.03279	1.0
87.00880	2.2
89.00335	0.7
89.02451	1.5
91.01910	0.4
96.96021	0.7
98.19814	0.5
99.00895	0.5
101.02441	1.1
103.00363	0.4
103.04008	0.3
106.00614	0.9
108.02174	0.4
109.02944	0.3
111.00878	10.2
113.02427	1.0
115.00378	0.4
116.78889	0.2
119.03546	0.5
119.05038	3.5
121.02955	12.6
123.00877	1.3
123.04530	0.6
125.02458	0.6
127.00384	0.7
129.01936	20.0
135.04520	0.5
136.98849	0.4
137.02451	0.5
138.03220	1.9
139.00381	1.9
139.04010	1.1
145.02963	0.3
147.02986	9.5
150.03204	0.4
153.01915	0.5
153.05574	10.4
163.03987	0.6
165.05521	0.9
166.02762	0.3
166.99826	0.7
171.10236	1.0
173.00908	7.5
179.03476	0.4
181.01402	0.3
182.02217	2.9
191.01965	7.0
195.02921	0.3
195.06633	0.4
196.03731	0.7
196.68007	0.2
197.04547	24.7
198.04951	0.5
199.00613	1.4
207.02881	0.4
209.03006	1.0
209.11807	0.5
211.06090	0.9
215.00166	0.8
222.05307	1.1
227.12900	0.5
235.44377	0.2
237.07727	1.4
239.33754	0.3
242.99539	0.5
250.04929	0.3
251.46997	0.2
265.07166	8.9
265.09909	0.5
281.61609	0.3
309.06055	0.8
327.07181	5.9
341.10837	0.6
353.05200	0.3
371.06204	4.3
389.07190	4.3
397.13638	0.4
407.18881	0.9
415.14209	0.3
569.09741	1.1
570.10632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.3
56.13298	0.6
57.03448	18.1
59.01371	1.8
64.55371	0.5
67.43917	0.6
68.99790	1.0
70.30134	0.9
71.01393	3.2
72.99335	0.6
81.37064	0.4
83.01372	4.7
84.02158	1.3
85.02950	100.0
86.03291	0.6
87.00883	1.1
89.00329	1.4
101.02438	1.3
103.00414	0.7
106.00562	1.1
106.84679	0.6
111.00317	0.3
111.00874	12.6
119.05058	2.6
121.02957	19.9
123.00864	2.8
124.04868	0.5
127.00355	0.9
129.01944	50.5
135.04462	0.5
136.98888	0.6
138.03194	2.6
139.00372	2.8
139.04007	0.9
145.01392	0.6
147.02997	10.1
153.05579	14.2
154.05890	0.5
166.02618	0.6
166.99847	2.0
173.00902	11.6
182.02165	5.1
191.01974	6.9
191.03624	0.7
196.03741	0.6
197.04541	38.0
199.00768	1.1
207.02916	0.6
209.02994	1.3
211.06133	1.4
222.05321	1.4
237.07683	1.5
257.94974	0.5
265.07184	9.6
309.06097	0.7
327.07166	8.4
358.22906	0.6
371.06165	4.6
389.07181	6.0
569.09686	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.3
57.03448	14.4
57.41175	0.5
59.01371	2.1
66.99898	0.4
67.01899	0.6
68.99802	0.6
69.94531	1.1
69.94937	1.3
71.01364	2.9
72.99310	1.2
73.02930	0.7
75.00886	0.7
83.01383	4.6
84.02163	1.5
85.02950	100.0
86.03302	1.0
87.00895	1.0
89.00310	0.9
91.90297	0.5
98.20298	1.3
100.50598	0.6
101.02428	0.9
106.00586	1.2
111.00880	11.9
115.01054	0.5
121.02954	18.5
123.00896	2.1
124.01623	0.5
127.00380	0.8
129.01944	43.8
137.02541	0.5
138.03241	2.2
139.00368	3.5
139.04048	1.1
147.02989	10.6
153.05589	15.9
166.99899	1.1
173.00897	12.7
182.02235	4.6
191.01959	6.7
196.03786	0.8
197.04550	34.1
198.04868	0.8
207.03015	0.8
209.03020	1.1
211.06032	1.2
219.06673	0.7
237.07706	1.5
256.94342	0.5
265.07166	8.2
298.95889	0.6
309.06216	0.7
327.07172	9.3
327.10785	0.8
371.06076	5.0
389.07205	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	569.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76345	1.0
54.43720	1.0
54.90038	1.0
55.01864	3.8
56.10315	1.0
57.03450	15.0
59.01373	2.0
61.47113	1.0
65.50640	1.0
65.93737	1.0
71.01376	2.5
71.09389	1.7
71.57074	1.0
72.99311	1.4
79.84392	1.1
83.01389	5.4
85.02948	100.0
86.03288	1.3
89.00312	1.4
106.00574	1.3
111.00877	13.0
121.02955	19.5
123.00875	2.5
127.00380	1.4
129.01941	49.8
138.03198	2.3
139.00383	2.6
147.03006	12.0
153.05569	17.8
161.15280	1.1
166.99742	1.3
173.00887	12.9
182.02190	5.0
191.01932	7.1
192.27721	1.1
197.04541	36.2
200.18440	1.0
209.03032	1.7
237.07666	1.8
265.07123	8.4
327.07153	9.2
371.06189	7.0
389.07080	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	569.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.7
57.03451	13.6
59.01387	3.3
68.99810	0.7
69.15701	1.3
69.16106	3.5
71.01397	3.6
72.99313	0.8
73.02968	0.6
75.00866	0.8
79.95746	1.2
83.01389	5.7
84.02178	1.9
85.02953	100.0
86.03323	0.9
87.00885	1.0
89.00314	1.2
91.01889	0.5
98.20116	2.6
101.02464	1.1
103.00345	0.8
106.00606	0.8
111.00885	14.8
119.05031	22.0
121.02959	14.3
123.00889	1.5
129.01947	38.7
135.04543	3.1
136.98866	0.7
137.02400	0.7
138.03252	1.6
139.00377	1.9
139.04036	1.1
145.02959	1.6
147.03004	10.8
153.02023	0.6
153.05583	10.5
163.04013	1.3
166.99860	0.7
173.00905	12.8
177.05591	0.5
179.03432	0.5
181.05038	0.7
182.02251	2.7
191.01947	6.9
196.03876	0.9
197.04555	24.1
199.00700	10.1
209.03070	0.8
211.06091	0.8
215.00160	5.0
222.05339	1.1
237.07646	1.2
242.99757	2.6
250.04704	0.6
265.07178	6.7
265.67316	0.6
296.25336	0.4
327.07242	8.3
338.71017	0.5
371.06244	3.5
389.07303	3.9
407.04346	0.9
436.59641	0.4
438.43402	0.5
545.64697	0.5
569.09448	8.0
570.10101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01496	0.3
57.03436	0.2
58.98185	0.2
59.01389	2.0
61.98835	0.5
63.81520	0.3
69.35586	2.3
71.01387	0.7
72.99335	0.3
73.02940	0.5
79.95734	7.4
80.96524	0.7
83.01389	0.4
85.02957	1.8
87.00880	0.3
89.02456	0.9
92.21741	0.3
93.03457	0.6
96.96017	2.6
98.20036	0.8
101.02416	0.6
103.03982	0.3
107.05022	1.4
108.02167	0.3
117.03464	1.1
119.05029	100.0
120.05353	1.6
123.04543	0.8
128.65294	0.3
129.01947	0.3
134.03688	0.3
135.04530	17.0
145.02963	7.9
147.02988	0.3
149.02454	0.3
149.06883	0.3
150.03265	0.5
153.05676	0.3
159.04503	0.3
163.04018	7.3
165.05554	0.7
171.10182	0.3
181.05080	1.9
195.02943	0.5
199.00705	43.4
200.01003	0.7
215.00200	24.6
216.00423	0.7
241.00143	0.4
242.99678	10.8
243.99953	0.4
258.77792	0.3
307.08167	0.6
327.08469	0.4
371.11533	0.5
407.04410	3.4
509.16531	0.5
569.09662	38.7
570.09857	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	568.334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98523	0.1
59.01382	0.5
59.94429	0.1
61.98833	100.0
69.82809	0.1
71.01401	0.4
85.02937	0.2
101.02479	0.1
112.12241	0.1
113.02423	0.1
121.02973	0.2
161.04498	0.1
170.63046	0.1
209.21083	0.1
265.08768	0.1
275.80957	0.1
276.12741	0.1
347.22250	0.2
370.08112	0.1
508.36026	0.2
509.27676	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12302	0.3
52.87950	0.3
55.01873	0.7
57.03449	0.7
59.01383	16.8
61.98829	13.0
65.04604	0.3
69.03432	0.5
69.16177	3.1
71.01395	0.4
72.19769	0.3
83.05019	0.7
85.02953	82.6
86.03288	0.7
87.04545	0.4
96.96015	0.5
97.06580	0.8
99.04520	4.1
109.06654	0.4
111.04501	0.4
121.02952	1.2
122.03332	0.5
125.06084	0.4
127.04017	0.8
129.92159	0.3
145.06609	0.8
147.04477	0.4
147.08182	0.5
181.85429	0.4
185.09691	0.4
199.11325	0.8
203.14366	0.5
209.09885	0.4
212.08424	1.3
213.09189	0.8
225.09232	0.8
227.10837	3.0
239.10835	0.7
241.12189	0.5
267.13797	0.8
295.15506	1.6
307.13156	0.5
377.17426	0.8
391.19217	0.4
403.19125	0.5
421.20218	0.6
463.24438	0.5
481.26093	5.1
507.23999	6.0
525.24933	58.7
526.25250	3.9
549.25293	0.6
567.26001	100.0
568.26337	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	567.2602
Annotation	Casearborin B
Peak:m/z	Relative Intensity
55.01864	1.8
59.01382	25.2
61.98830	16.6
71.01347	1.1
85.02953	66.1
86.03277	0.8
95.05051	1.1
96.96021	0.8
97.02961	1.0
98.19839	1.0
99.03927	1.3
99.04523	15.7
111.04497	0.7
113.06068	1.7
121.02915	2.1
145.06552	2.1
147.08170	1.3
167.71898	0.7
183.05077	0.5
185.09763	1.0
203.14320	1.1
210.06750	0.8
212.08527	0.8
213.09160	3.7
225.09113	3.3
225.11182	1.1
227.10709	0.9
238.82709	0.8
239.10890	3.2
241.12282	1.4
267.13852	1.0
295.15497	4.0
347.16489	0.8
349.17892	1.3
357.14734	1.1
377.17471	2.7
391.18866	1.5
421.20499	3.1
425.23303	1.4
437.19434	2.8
452.21854	0.8
481.25903	9.0
485.25223	0.7
489.22031	0.7
507.23819	27.9
508.23944	1.9
525.24860	52.1
526.24872	2.0
549.24969	6.6
567.25763	100.0
568.26312	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	567.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
58.98814	0.2
59.01378	39.7
59.71230	0.2
61.98831	1.1
69.03447	0.3
71.01388	0.6
72.19807	0.2
81.03453	0.5
83.04517	0.2
83.05024	5.7
85.02949	100.0
86.03287	0.7
86.37173	0.2
93.03452	0.2
95.05013	1.7
97.02979	0.2
97.06593	0.4
99.04522	3.4
107.04983	0.4
109.02914	1.0
109.06554	0.5
111.04523	1.0
113.06112	1.3
119.08639	0.2
121.02921	0.3
121.06560	0.4
121.75343	0.2
122.03761	0.2
123.04477	0.2
125.06056	0.6
127.03996	0.4
135.04498	0.2
137.06064	0.3
139.07663	0.4
145.06508	0.5
147.08192	0.3
149.06065	0.2
155.07057	0.5
159.08098	0.3
161.95490	0.2
167.07043	0.6
171.08162	0.2
175.07574	0.6
179.10730	0.2
184.08885	0.7
195.06590	0.3
199.11211	0.2
207.09959	0.3
208.44901	0.2
212.08395	2.0
213.09129	0.4
225.09215	0.2
226.06316	0.4
227.10767	21.2
228.10960	0.6
229.48744	0.3
235.09610	0.8
243.06447	0.4
259.28180	0.2
263.10556	0.2
265.08566	0.4
267.13666	0.5
279.10114	0.5
279.13547	0.2
281.11771	1.5
292.11008	0.2
293.11630	0.5
295.13174	0.4
307.09500	0.2
307.12924	0.3
309.14786	0.5
319.13113	0.4
321.11209	0.2
322.11920	0.3
327.15686	0.6
331.16806	0.2
336.13531	0.3
337.14444	1.8
345.14413	0.2
351.16058	2.2
361.13800	0.2
362.15262	0.5
363.15833	0.3
376.16318	0.3
377.17566	2.2
379.15540	0.9
381.24063	0.4
391.18765	0.8
395.14063	0.3
395.18576	3.4
399.25320	1.7
403.19226	1.1
409.20187	4.2
410.20157	0.3
417.20313	0.7
437.19644	7.3
438.19684	0.3
443.22928	0.4
463.21155	1.0
474.44025	0.2
481.22043	0.3
523.23358	8.7
524.22803	0.5
531.23724	0.8
549.24969	1.6
567.25427	3.0
593.38861	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2449
Annotation	Fischeroside C
Peak:m/z	Relative Intensity
57.03433	4.7
59.01378	65.3
61.98825	10.1
69.03462	1.8
71.01380	10.7
71.04962	0.9
71.54555	1.1
72.99309	3.8
73.02942	4.1
75.00883	1.5
79.05544	1.6
81.03468	2.1
83.01409	2.3
83.05002	5.1
85.02956	6.7
87.00864	3.2
88.98804	2.2
89.02438	6.9
93.03452	1.8
93.83670	1.0
95.04996	1.1
96.96027	2.8
97.02976	0.9
97.06611	1.9
99.00909	5.1
99.04530	2.7
101.02427	8.4
103.04003	2.3
107.05027	2.7
109.06569	5.6
111.04502	3.1
113.02475	4.7
114.17965	1.0
118.98099	1.2
119.03487	3.1
120.05936	1.0
120.99629	5.7
121.02951	1.8
121.06574	2.4
121.85040	1.0
123.04465	1.4
123.08192	1.5
125.02452	1.1
125.06040	1.1
133.06656	1.0
133.10358	1.0
134.03700	1.4
135.02982	1.6
135.04521	3.9
137.06062	1.2
141.73497	0.9
145.06645	1.3
147.08144	3.2
147.11803	1.5
149.06075	1.2
149.09688	1.0
151.07661	1.9
153.05592	1.8
158.02007	1.0
159.08235	1.2
160.05267	0.9
161.04521	1.6
161.06050	1.2
161.09686	1.1
163.03876	1.3
164.61160	0.9
165.05577	1.5
168.00566	1.1
169.05017	2.3
173.09669	3.9
175.07635	1.1
177.01927	1.2
178.09303	1.0
179.03328	1.1
187.11273	1.0
191.10695	0.9
192.04698	1.1
193.05009	3.0
193.08650	1.7
195.06572	1.7
207.06656	1.3
217.08501	1.2
231.13908	1.7
240.04254	0.9
265.09326	2.9
319.08118	1.3
321.08698	4.4
325.23611	0.9
343.12149	1.3
365.07751	3.3
377.19565	1.3
380.10052	1.4
385.19916	1.0
389.19754	6.1
407.20801	3.1
429.18542	1.1
463.27151	2.3
471.20142	3.5
473.21646	1.1
487.23358	1.1
489.21219	7.5
505.24637	3.2
507.22186	25.8
507.27859	1.3
508.22873	1.5
523.27100	1.6
536.16718	7.2
549.23267	7.9
549.32324	2.6
566.30566	1.8
567.24359	100.0
567.33270	21.4
568.24908	6.1
583.92126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04815	1.7
61.98828	100.0
64.37695	1.5
70.07901	7.4
76.67995	1.6
80.10155	1.5
81.74644	1.5
84.11952	1.3
85.02931	3.4
103.03999	6.6
114.47184	1.7
124.15836	1.8
225.37721	1.6
255.23245	6.5
269.24844	5.5
427.86017	2.3
429.40204	1.7
503.32278	33.5
504.32629	2.3
555.12195	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	566.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02675	0.2
59.01380	1.5
61.98830	100.0
62.98445	0.2
71.01391	0.4
71.54324	0.2
80.47453	0.2
85.02972	0.4
99.04497	0.2
121.02955	0.4
148.04073	0.4
239.04527	0.2
265.09906	0.2
307.03836	0.2
342.21799	0.2
451.48810	0.2
502.16177	1.0
506.34076	0.2
507.35483	0.5
534.18756	1.5
566.25781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61933	0.6
57.03447	3.5
57.75252	0.5
58.00601	0.6
58.20185	0.5
59.01380	100.0
59.29935	0.5
60.01715	4.8
61.01809	2.0
61.98830	68.9
69.03452	0.8
71.01382	20.2
71.54414	0.7
72.01724	1.2
72.99316	1.5
73.01797	0.7
73.02940	5.2
74.03297	0.7
83.01379	2.8
83.05026	0.7
85.02946	11.3
85.06555	0.7
86.03318	1.6
87.00903	1.8
87.04523	1.1
88.98825	1.2
89.02453	6.5
90.02785	0.8
94.84122	0.6
95.01392	2.7
96.96044	1.1
97.02943	0.6
99.00895	2.3
101.02453	9.4
102.02805	1.4
102.57429	0.6
109.02951	0.7
113.02455	14.0
114.02784	2.2
119.03516	2.8
125.02450	1.1
131.03488	0.5
134.06133	0.7
134.92197	0.5
135.04492	1.1
143.03539	1.5
143.10768	0.9
161.04555	4.7
162.04887	1.5
163.05119	0.6
165.05750	0.6
179.05525	0.6
193.79085	0.5
257.21204	0.8
258.11978	1.5
280.11536	1.6
287.96008	0.5
289.06747	0.7
299.18900	0.8
318.20062	0.9
344.28973	0.8
360.28293	0.7
361.29443	3.0
362.29947	2.9
399.23825	11.0
417.24985	3.1
435.28888	0.7
459.26019	4.6
463.27701	0.6
504.32867	1.7
505.33426	13.2
506.33917	30.6
523.34796	5.1
524.34894	11.0
565.36475	0.8
566.29871	2.7
566.36456	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	565.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
57.03451	3.1
58.00594	0.8
59.01380	100.0
60.01719	0.9
61.98832	14.8
68.99802	0.3
69.03461	1.0
69.34368	2.5
70.29940	0.3
71.01382	27.7
71.05042	0.3
72.99319	1.5
73.02951	9.1
81.03454	0.6
83.01394	4.4
83.05030	1.0
84.95114	0.3
85.02953	14.3
85.06608	0.9
86.00101	0.9
87.00877	1.6
87.04527	0.6
88.33027	0.3
88.98829	0.3
89.02447	7.7
95.01387	3.1
96.96023	1.0
97.02953	1.3
99.00873	3.3
99.04500	0.5
101.02444	16.1
103.04008	1.3
108.02215	0.3
109.02972	0.3
111.00874	0.8
111.04504	0.4
112.01688	0.5
113.02454	15.3
115.03978	0.4
119.03499	2.0
121.02936	0.6
123.04548	0.7
124.01673	0.6
125.02458	2.4
129.01965	0.7
131.03496	0.3
137.09811	0.3
139.07654	1.2
143.03523	2.3
143.10764	1.5
152.01175	0.5
159.03003	1.7
161.04555	8.7
161.70256	0.3
167.03488	0.4
179.05588	0.9
181.12389	0.5
182.02248	0.5
191.02016	0.4
197.04506	0.9
211.17014	0.3
217.04956	0.4
254.47412	0.4
265.09378	0.6
266.09650	0.4
271.22726	0.4
283.11115	0.4
285.24496	0.4
299.25845	1.7
313.27554	0.4
315.25339	1.9
325.27563	0.3
329.26941	0.9
341.18863	0.4
343.28506	2.6
361.23831	6.6
361.29575	7.7
375.25470	0.4
385.29697	0.4
403.30737	0.6
404.19388	0.4
421.24487	0.6
435.22610	0.4
449.20319	0.4
461.25488	3.9
461.31201	0.6
463.25934	0.3
475.32495	0.4
484.22681	0.7
502.26700	6.0
503.25998	0.9
505.33817	96.1
506.34155	4.7
521.29047	1.3
523.34894	11.1
524.35297	0.6
565.23523	0.4
565.32910	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	565.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03450	2.3
58.00601	0.8
59.01379	100.0
60.01715	0.3
61.98835	0.7
63.37045	0.1
67.01895	0.2
69.03454	0.6
69.33845	0.5
69.34266	0.2
71.01382	24.2
71.05006	0.2
72.01727	0.2
72.99306	0.9
73.02946	6.6
75.00874	0.3
81.03468	0.2
81.07088	0.2
83.01389	2.3
83.05032	0.4
84.02178	0.3
85.02950	13.0
85.06610	0.3
86.00099	0.5
87.00882	1.5
87.04527	0.3
89.02444	8.3
91.95554	0.1
95.01387	3.8
95.22715	0.1
96.96016	0.1
97.02944	0.8
97.06598	0.4
98.20606	0.1
99.00879	2.1
99.04508	0.2
101.02444	10.2
101.06036	0.1
103.03983	0.6
104.78035	0.1
105.04711	0.1
106.06616	1.0
108.02167	0.2
109.02952	0.1
111.00896	0.4
111.04523	0.1
112.01630	0.2
113.02451	22.8
114.02807	0.2
115.04019	0.1
115.07627	0.1
118.06625	0.2
119.03494	2.5
121.02934	0.1
123.03268	0.5
124.01678	0.3
125.02444	1.3
128.92274	0.1
129.01933	0.3
131.03520	0.5
134.06120	9.2
135.04536	0.2
135.06491	0.2
136.07674	1.5
138.05618	1.2
139.00365	0.2
141.01947	0.1
142.02663	0.1
143.03503	2.5
143.10757	0.1
149.04526	0.2
152.01157	0.1
155.14450	0.1
159.02975	0.7
159.10291	0.1
161.04553	6.9
162.05635	0.1
164.07172	0.2
178.05099	3.6
179.03497	0.1
179.04015	0.1
179.05594	1.0
180.06673	0.6
192.06746	0.4
194.08185	0.2
195.17514	0.2
197.15485	1.4
201.05429	0.1
209.02647	0.1
220.06174	0.6
222.07739	0.3
223.20726	0.2
225.18556	0.4
241.21704	0.6
243.19633	0.9
247.08192	0.1
257.21271	0.2
265.09293	0.4
269.21277	0.2
280.08286	0.1
287.26028	0.1
297.24286	0.1
299.22244	0.3
313.23740	0.4
315.25433	1.0
341.26944	0.2
343.24579	0.2
343.28513	2.1
345.26392	0.6
359.28000	1.0
361.12939	0.2
361.29581	18.0
362.29953	0.6
385.29459	0.2
403.30789	0.4
403.35397	0.1
426.14041	8.0
427.14328	0.4
428.15546	0.3
431.30203	0.3
457.31781	0.2
469.31677	0.2
475.32626	0.4
505.33804	60.0
506.34094	2.8
521.30359	0.6
523.34839	13.7
524.35034	0.8
547.19653	0.2
565.19928	0.3
565.36523	2.2
566.37274	0.1
569.12683	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	565.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93446	0.1
55.01885	1.2
56.99815	0.2
57.03447	4.5
58.00594	1.7
59.01377	100.0
60.01705	0.4
61.98830	2.8
63.23347	0.1
67.01880	0.1
69.03456	1.1
69.24267	1.0
71.01380	42.7
71.05061	0.1
72.01729	0.3
72.99305	2.1
73.02944	17.2
75.00877	0.6
76.73518	0.1
79.01909	0.2
79.92230	0.1
81.03465	0.4
81.07082	0.2
83.01385	7.1
83.05048	0.4
84.02158	0.3
85.02949	13.4
86.00089	0.2
87.00350	0.2
87.00877	3.1
87.04514	0.4
89.02442	28.3
90.02734	0.2
95.01382	4.6
96.01704	0.2
97.02940	0.8
98.20767	0.2
99.00879	2.8
99.04515	0.2
101.02439	24.8
102.02770	0.3
109.02919	0.2
111.00893	0.2
112.01680	0.2
113.02448	37.1
114.02782	0.4
115.04001	0.2
119.03497	10.8
120.03915	0.1
120.08504	0.1
125.02456	1.4
128.59500	0.1
129.01968	0.2
131.03497	2.1
139.00336	0.2
142.02660	0.1
143.03491	5.0
149.04555	1.9
152.01147	0.3
153.01877	0.2
159.03030	0.3
161.04550	14.6
162.04912	0.1
178.04861	0.2
179.05608	7.9
195.17474	1.0
197.15477	3.9
203.05544	0.2
219.21106	0.2
221.06648	0.5
221.19096	0.4
239.54500	0.1
241.21692	0.3
243.19633	3.7
253.21700	0.4
267.23184	0.4
276.12402	0.2
299.25580	0.3
315.25470	0.2
327.25424	1.3
333.77313	0.1
343.28485	4.6
361.29568	17.5
362.30057	0.7
385.29459	1.4
403.30600	1.4
404.30652	0.1
422.54776	0.1
427.30426	0.7
431.30557	0.2
461.30777	0.2
469.31491	0.2
502.26346	0.2
505.33795	36.9
506.34103	2.2
523.34821	20.5
524.35138	1.1
565.19269	0.3
565.36090	4.1
566.36163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3298
Annotation	3,4-Diketo-2',3'-dihydroxy-2-nor-beta-carotene
Peak:m/z	Relative Intensity
50.65636	40.0
59.01371	35.6
61.98836	100.0
62.11968	35.6
67.58482	26.8
71.52737	30.0
78.95907	60.2
87.16656	30.7
98.41409	36.7
99.04530	66.7
150.88300	28.5
209.43947	32.7
238.34476	32.0
274.99207	28.8
529.15601	36.1
565.32910	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	565.2292
Annotation	Excavatolide C
Peak:m/z	Relative Intensity
50.21051	0.9
55.01865	2.3
57.03429	4.1
58.00588	1.2
59.01377	77.0
60.99305	4.4
61.98828	11.4
69.03448	2.3
69.57362	4.4
71.01379	28.0
71.05014	1.4
72.99312	3.7
73.02944	13.7
74.02480	1.4
74.28490	0.8
83.01389	5.1
83.05029	1.2
85.02946	21.3
87.00869	4.3
87.04500	1.9
88.98804	31.6
89.02444	10.6
89.99117	0.9
93.03480	1.5
95.01383	4.5
96.96040	1.3
97.02928	1.5
97.06601	0.9
98.20434	2.8
99.00890	3.3
99.04516	2.4
101.02448	16.9
103.04012	1.3
109.02957	5.3
111.00905	1.9
111.04444	1.2
113.02448	15.8
113.03181	1.6
115.03992	1.2
119.03496	3.8
119.05029	2.1
121.02965	12.7
122.03752	10.0
123.04517	2.6
124.01676	1.6
125.02483	2.2
135.04485	2.7
136.05235	1.1
137.02438	3.2
143.03505	1.3
145.05028	0.9
146.03770	1.8
147.03003	1.0
147.04507	6.3
149.06012	1.7
154.02678	2.2
160.05283	1.7
161.04538	2.7
161.06079	4.0
162.06865	1.1
163.04010	2.3
164.04799	1.0
165.05569	18.4
165.19696	0.9
173.06186	1.2
174.06854	1.1
175.07532	1.2
176.04778	1.0
179.05702	1.5
179.07126	6.1
190.06372	1.0
191.02042	1.5
191.07155	2.6
193.89540	0.8
201.11281	0.9
207.02972	2.0
223.09673	1.8
231.06000	1.0
265.09219	1.1
298.12143	2.5
299.18695	2.2
311.22134	1.3
313.14355	4.5
315.12268	1.4
317.19843	1.2
325.20178	1.2
328.13226	4.6
329.13705	1.8
341.23187	1.6
343.15491	7.6
346.14127	6.3
347.14981	1.6
361.16550	58.7
361.29422	1.7
362.17026	2.2
367.21136	1.2
371.20020	1.0
379.50510	1.0
385.22311	1.4
403.23291	2.4
461.23605	1.3
479.25018	2.8
505.20786	100.0
505.32611	15.2
506.21347	4.4
521.25989	23.9
522.26501	1.1
523.21814	39.8
523.33881	6.8
524.21942	2.1
565.21881	5.2
565.29718	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	564.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97581	0.2
59.01376	1.5
61.98829	100.0
69.23036	1.8
71.01383	0.4
77.07499	0.2
83.05071	0.3
85.02961	0.3
98.20601	0.4
103.04019	0.7
115.07660	0.8
121.02991	0.3
127.14138	0.2
257.24756	0.2
283.66254	0.2
448.18787	0.3
501.25211	0.3
520.24908	0.5
564.27325	2.0
565.28015	0.3
579.53076	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97581	0.2
59.01376	1.5
61.98829	100.0
69.23036	1.8
71.01383	0.4
77.07499	0.2
83.05071	0.3
85.02961	0.3
98.20601	0.4
103.04019	0.7
115.07660	0.8
121.02991	0.3
127.14138	0.2
257.24756	0.2
283.66254	0.2
448.18787	0.3
501.25211	0.3
520.24908	0.5
564.27325	2.0
565.28015	0.3
579.53076	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75720	0.2
59.01390	1.7
60.02734	0.2
61.98832	100.0
71.53066	0.4
85.02943	1.7
94.89840	0.2
121.02962	3.3
122.03320	0.7
148.23918	0.2
183.22578	0.2
343.22946	0.5
344.90771	0.2
415.24854	0.5
441.23059	0.6
459.23959	2.2
467.74445	0.2
501.24982	7.6
502.25458	0.6
564.26660	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84788	0.3
55.01875	0.4
57.03436	1.0
58.00606	0.4
59.01379	42.1
60.01705	0.7
61.98829	100.0
66.83589	0.2
69.03448	0.3
69.47264	1.7
71.01382	11.0
73.02947	7.9
74.94923	0.2
75.00845	0.5
81.03469	0.2
83.01389	3.1
85.02946	4.7
86.03281	0.3
87.00877	0.8
87.04521	0.4
89.02443	4.7
90.73694	0.2
94.06872	0.3
95.01373	1.3
96.96057	0.3
98.20313	1.1
99.00865	0.6
101.02444	11.2
103.04007	0.4
109.02953	0.3
113.02452	7.9
114.02766	0.5
119.03503	1.8
125.02394	0.9
131.03510	1.3
134.06102	0.3
143.03462	1.3
143.10680	0.4
149.04543	1.8
155.03384	0.3
159.02956	0.3
161.03314	0.4
161.04550	5.1
166.68660	0.3
179.05536	0.6
221.06580	0.5
260.16415	0.3
265.09100	0.8
313.73679	0.3
327.21619	0.3
328.21564	0.4
343.28033	0.3
359.27890	0.6
361.29428	0.6
397.21832	0.6
457.24484	1.5
486.31207	0.6
501.22305	0.4
503.32333	3.6
504.32507	6.2
505.33783	6.6
521.32581	1.1
522.32794	1.1
523.34564	1.5
563.30621	0.3
564.30023	0.9
565.21759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16706	0.1
55.01881	0.4
55.12385	0.1
57.03446	0.9
58.00594	0.2
59.01381	81.9
60.01722	0.4
61.98842	1.0
69.03458	0.2
69.21155	0.2
69.21558	0.8
71.01384	8.6
72.11871	0.1
72.99318	0.4
73.02948	3.8
75.00867	0.2
83.01387	1.3
85.02953	4.3
85.06612	0.1
87.00879	0.6
89.02446	2.1
95.01399	0.7
97.02979	0.2
97.34513	0.1
99.00874	0.9
99.04504	0.1
100.68642	0.1
101.02445	5.8
103.04012	0.3
106.06617	0.3
109.03040	0.1
111.00890	0.1
113.02456	3.8
119.03478	0.7
121.02990	0.2
125.02435	0.3
129.01979	0.2
143.03487	0.3
143.10789	0.1
151.45033	0.1
159.03001	0.5
161.04572	1.5
168.08195	0.2
184.11356	0.3
189.15123	0.1
191.02084	0.1
200.01804	0.1
201.11351	0.2
203.37485	0.1
209.11835	0.2
228.10335	0.4
253.09769	0.6
265.09332	0.3
272.09375	0.1
274.09854	0.1
299.25937	0.4
314.10651	0.1
327.21576	0.1
341.26907	0.6
359.28229	0.2
443.30533	0.1
456.23334	0.1
461.31122	0.7
494.87268	0.1
503.32312	1.6
520.18408	0.4
521.33148	1.1
545.17841	0.7
545.33356	0.5
563.34338	100.0
564.34741	5.2
564.43811	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	563.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73646	0.2
55.01875	1.5
57.03446	5.2
58.00592	0.9
59.01378	100.0
60.01720	0.6
61.01830	0.2
61.98827	1.6
67.01874	0.3
68.99829	0.2
69.03457	1.3
69.26619	1.3
71.01381	32.0
71.05018	3.7
72.01730	0.3
72.99304	1.0
73.02946	8.8
73.17178	0.2
75.00872	0.6
75.99826	0.2
81.03456	0.7
83.01385	4.4
83.05019	1.1
84.02200	0.4
85.02950	17.3
85.06578	1.3
86.00120	0.8
87.00871	2.4
87.04507	0.8
88.98811	0.6
89.02443	10.1
93.03474	0.3
95.01389	4.2
95.05070	0.3
96.96029	0.4
97.02943	1.5
97.06580	1.8
99.00883	3.9
99.04509	1.0
101.02439	18.1
101.06095	0.8
102.02834	0.2
106.06633	0.6
108.73129	0.2
109.02963	0.4
109.06608	0.2
111.00882	1.0
111.08171	0.2
112.01674	0.5
113.02448	20.1
115.04005	0.3
119.03499	3.3
120.08201	0.2
121.02942	0.8
122.03753	0.2
124.01659	0.8
125.02435	2.3
127.11316	0.3
129.01950	0.7
129.05566	0.2
131.03513	0.6
135.04538	0.2
137.02419	0.3
137.06085	0.3
137.09720	0.5
141.01952	0.2
142.02745	0.2
143.03496	3.4
143.10759	2.3
149.04533	0.5
149.09761	0.2
151.11261	0.2
155.10796	0.3
159.02985	2.3
161.04547	14.8
161.13348	0.4
169.12323	0.3
177.12933	0.2
179.05579	1.2
179.14340	0.3
181.15962	0.8
197.15410	0.3
205.03525	0.3
211.17044	0.4
223.17088	0.3
237.11092	0.4
237.18617	0.2
239.20168	0.2
247.20787	0.3
253.13464	0.2
253.21764	0.2
257.21225	3.2
271.22696	1.9
297.12402	0.3
297.24332	0.2
299.25876	0.4
311.25833	1.4
313.27554	0.6
315.80676	0.2
323.25986	1.5
341.11325	0.4
341.26938	2.2
355.21872	0.3
359.15155	1.9
359.28003	5.3
360.28458	0.3
383.27896	0.3
397.23190	0.2
399.20709	0.3
401.25327	1.2
413.23050	0.2
414.23441	0.3
415.23642	0.6
415.27353	0.5
419.26501	0.6
433.28024	3.5
441.22430	0.3
455.30197	0.6
457.24576	0.5
457.31076	0.2
458.22632	0.2
459.23077	1.4
465.21249	0.4
467.29825	0.6
473.31277	0.7
485.31097	1.8
489.24203	0.2
501.24176	0.3
503.32242	64.7
504.32584	3.6
519.25079	1.0
521.33258	22.2
522.33521	1.0
531.22278	0.2
563.23962	1.9
563.34033	5.9
564.34058	0.2
587.17517	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44314	0.3
55.01881	1.2
57.03447	4.3
58.00586	0.9
59.01377	100.0
60.01696	0.3
61.98827	4.9
69.03467	0.9
69.25920	0.8
69.26340	1.7
71.01381	28.2
71.05022	0.6
72.99314	1.4
73.02944	7.8
75.00875	0.3
81.03452	0.3
83.01392	4.0
83.05012	0.4
84.02180	0.5
85.02948	15.1
85.06598	0.7
85.92640	0.3
86.00116	0.6
87.00866	1.7
89.02445	11.0
95.01380	2.7
97.02966	1.4
97.06583	0.8
98.20277	1.3
99.00880	2.9
99.04564	0.4
101.02442	17.7
103.04019	0.5
111.00893	0.7
113.02450	17.0
115.04062	0.3
119.03497	4.9
124.01665	0.3
124.09858	0.3
125.02428	1.5
131.03543	0.6
143.03490	2.7
143.10806	2.9
149.04570	0.8
157.23328	0.3
159.02991	1.8
161.04553	10.4
161.05916	0.6
161.13380	1.1
171.10271	0.9
173.54808	0.2
179.05635	1.7
195.55762	0.3
253.09354	0.9
265.09250	0.5
271.22720	0.6
293.24673	0.3
299.25824	0.4
304.63269	0.3
311.25909	0.9
323.25900	1.1
327.21780	2.0
341.26865	2.5
353.26917	0.3
359.27985	2.8
419.22360	0.4
433.27884	1.5
467.29849	0.6
473.31097	0.9
485.31171	8.6
486.31656	0.5
500.22058	0.3
503.32248	52.1
504.32425	3.4
519.27960	0.4
521.33307	12.1
522.34094	0.4
563.22864	0.3
563.30786	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	563.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51634	0.3
57.03445	0.5
59.01379	65.5
61.98831	10.8
69.03468	0.5
69.22918	3.1
71.01385	4.9
72.99306	1.1
73.02950	1.4
83.01395	0.9
83.05018	0.4
85.02941	3.4
87.00864	0.6
87.04523	1.2
89.02440	3.9
95.01402	0.5
95.21829	0.4
99.00883	0.6
99.04512	0.9
101.02446	4.1
113.02452	5.1
119.03518	2.3
120.99654	0.5
121.02984	2.4
123.08159	1.7
143.03505	1.0
147.04500	0.9
148.04784	0.4
161.04538	2.2
179.05595	1.1
209.11752	0.4
221.06601	1.1
278.37683	0.4
295.20752	0.3
297.22214	12.0
298.22522	0.4
312.01666	0.4
323.20056	0.7
341.21188	100.0
342.21527	4.3
355.22806	2.5
359.27835	0.4
365.21136	3.4
375.15524	0.8
383.22321	4.2
395.22177	0.9
413.23489	0.5
482.70044	0.4
503.26407	1.7
503.32947	1.1
521.32813	0.6
531.21277	1.1
563.25983	3.1
563.34155	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	563.264
Annotation	Morinol B
Peak:m/z	Relative Intensity
59.01374	0.2
61.65797	0.0
61.98826	0.3
71.01386	0.2
71.52492	0.1
77.03981	0.2
78.04194	0.1
79.05534	0.2
80.28460	0.0
82.22234	0.1
83.05020	0.3
93.03465	0.5
95.05020	0.1
97.02952	0.1
97.06620	0.1
99.04522	0.1
107.05042	0.1
108.02183	0.1
111.04521	0.1
111.08133	0.1
119.05017	0.4
121.02956	100.0
122.03283	1.2
123.04491	0.1
125.05248	0.1
125.06073	0.3
135.08171	0.1
137.06142	0.1
143.04961	0.1
145.06595	0.1
147.04524	0.2
147.08206	0.1
149.06006	0.1
155.08705	0.1
157.06624	0.1
159.04529	0.1
160.05278	0.1
161.06065	0.1
161.09741	0.1
163.11292	0.2
171.08208	0.1
173.09718	0.1
185.09686	0.1
186.06781	0.1
187.07602	0.2
187.11255	0.1
191.10776	0.2
197.09692	0.1
199.07603	0.4
199.14967	0.1
201.09137	0.3
203.10861	0.1
207.10300	0.2
211.07809	0.1
217.15948	0.1
221.09831	0.1
225.09251	0.1
227.10809	0.2
229.15935	0.1
231.10498	0.1
235.07613	0.2
236.08369	0.1
248.08340	0.1
255.17511	0.1
263.07034	0.1
264.07922	0.5
265.08160	0.1
265.12338	0.2
283.13474	0.2
303.19604	0.1
307.13470	0.1
309.15100	0.4
323.12830	0.3
325.14807	0.1
331.17245	0.1
335.18591	0.1
347.19678	0.1
349.18149	0.1
363.18658	0.1
365.19666	0.3
412.29730	0.1
423.21768	0.2
439.21320	0.5
441.22803	1.0
443.20728	0.7
443.33380	0.1
457.22318	0.2
501.22839	0.1
527.24255	0.1
535.27185	0.1
545.25232	0.5
561.24933	0.4
563.26447	69.7
564.26782	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	563.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.7
59.01382	96.4
60.01719	0.9
61.01812	0.6
61.98830	12.6
62.68196	0.7
71.01381	13.7
71.53532	1.1
72.99312	20.4
73.02936	5.3
75.00854	0.8
81.03460	0.9
83.01389	3.4
83.05074	0.6
84.02186	1.0
85.02953	11.6
87.00895	1.8
87.04527	2.3
89.02448	4.6
95.01412	1.7
96.96032	0.9
97.02981	0.6
99.00893	1.8
99.04523	3.0
101.02451	8.7
101.06057	3.1
103.04008	1.3
111.04552	0.8
113.02454	5.6
119.03519	1.5
121.02945	1.8
123.04510	0.7
125.02435	1.0
129.01945	0.8
137.06061	1.0
148.07507	0.6
157.10272	0.8
159.02951	0.8
159.11783	1.1
161.04549	1.5
171.10231	1.2
179.68427	0.6
190.01506	0.7
196.31679	0.6
199.14932	2.1
209.11804	0.9
231.14027	0.7
243.13904	2.4
265.09460	0.9
309.18292	0.7
327.21866	1.1
332.24609	0.6
337.18073	0.7
337.21667	4.0
341.26898	2.8
353.21121	1.3
359.28003	1.6
371.22015	0.7
381.16074	1.2
381.20694	15.7
399.21793	10.8
425.19705	6.6
443.20776	8.8
459.23813	14.0
459.29474	1.8
477.30487	0.7
500.25830	0.7
503.22913	65.9
503.31961	9.1
504.23114	3.7
504.31363	0.8
521.33136	7.3
531.12512	1.9
563.25592	9.9
563.34320	100.0
564.26880	1.0
564.34821	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	563.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.7
59.01382	96.4
60.01719	0.9
61.01812	0.6
61.98830	12.6
62.68196	0.7
71.01381	13.7
71.53532	1.1
72.99312	20.4
73.02936	5.3
75.00854	0.8
81.03460	0.9
83.01389	3.4
83.05074	0.6
84.02186	1.0
85.02953	11.6
87.00895	1.8
87.04527	2.3
89.02448	4.6
95.01412	1.7
96.96032	0.9
97.02981	0.6
99.00893	1.8
99.04523	3.0
101.02451	8.7
101.06057	3.1
103.04008	1.3
111.04552	0.8
113.02454	5.6
119.03519	1.5
121.02945	1.8
123.04510	0.7
125.02435	1.0
129.01945	0.8
137.06061	1.0
148.07507	0.6
157.10272	0.8
159.02951	0.8
159.11783	1.1
161.04549	1.5
171.10231	1.2
179.68427	0.6
190.01506	0.7
196.31679	0.6
199.14932	2.1
209.11804	0.9
231.14027	0.7
243.13904	2.4
265.09460	0.9
309.18292	0.7
327.21866	1.1
332.24609	0.6
337.18073	0.7
337.21667	4.0
341.26898	2.8
353.21121	1.3
359.28003	1.6
371.22015	0.7
381.16074	1.2
381.20694	15.7
399.21793	10.8
425.19705	6.6
443.20776	8.8
459.23813	14.0
459.29474	1.8
477.30487	0.7
500.25830	0.7
503.22913	65.9
503.31961	9.1
504.23114	3.7
504.31363	0.8
521.33136	7.3
531.12512	1.9
563.25592	9.9
563.34320	100.0
564.26880	1.0
564.34821	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	563.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54034	1.1
55.01854	0.9
57.03435	3.7
59.01110	1.0
59.01381	11.1
60.99298	1.0
61.98821	2.6
64.38369	0.8
67.57268	0.9
68.68503	0.8
68.99806	1.2
69.03445	1.1
71.01366	5.2
72.99312	5.4
73.02941	1.9
80.54021	0.7
83.01374	2.3
83.05040	1.2
85.02947	25.9
87.00881	2.7
88.98801	5.7
89.02434	1.5
93.03458	4.9
95.05036	2.0
99.00900	5.8
99.04504	2.0
101.02425	1.5
107.05019	1.6
109.02947	2.4
111.00862	1.7
111.04498	3.6
111.05158	0.9
113.02457	1.7
115.00385	0.9
121.02951	14.2
121.06581	4.8
123.04539	4.7
125.06049	1.8
126.44139	0.8
127.03996	2.1
129.01936	3.0
133.06561	1.0
135.04460	1.6
137.06088	1.3
139.07579	1.1
147.03003	5.5
147.04521	1.7
148.25111	0.9
149.06073	14.2
150.03224	2.5
151.04007	3.1
151.07642	2.7
158.03728	2.0
159.04509	0.9
160.05257	1.9
161.06055	1.4
165.05519	2.3
167.03490	1.5
167.07077	1.6
175.03928	1.4
175.07616	4.0
176.04767	2.9
177.05530	2.1
191.01971	9.7
193.05011	3.5
193.08678	1.3
194.05788	2.5
201.09167	2.3
211.06056	2.2
217.12358	1.5
219.10056	0.9
255.12164	1.4
273.11295	1.2
278.05624	1.1
297.07767	1.3
309.17075	3.3
329.13818	5.4
337.07037	2.9
337.16534	1.0
338.07776	1.2
343.15280	1.8
352.09497	1.5
353.06403	2.0
371.11313	5.3
383.11417	9.5
387.17850	4.8
395.18704	2.3
405.19397	2.0
412.28165	1.0
413.19684	4.8
415.17590	1.1
431.20786	8.5
433.18564	1.9
448.35223	0.9
449.21790	14.1
450.21790	1.3
459.20425	5.7
477.21280	57.8
478.21683	3.9
503.19354	1.4
519.22925	2.7
563.21216	100.0
564.21490	7.3
580.62939	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2137
Annotation	Melampodinin B
Peak:m/z	Relative Intensity
55.01878	1.1
56.38477	0.6
56.95772	0.5
57.03447	1.4
58.00587	0.7
59.01378	51.0
60.01666	0.5
61.98829	6.8
65.03938	0.6
69.03458	1.5
71.01009	1.0
71.01381	15.1
72.99305	5.2
73.02944	10.5
75.00897	0.6
79.05500	0.7
81.03465	1.3
83.01384	2.3
83.05021	1.8
85.02950	9.1
87.00868	2.6
88.32228	0.6
88.98785	2.8
89.02434	5.3
93.03466	3.2
95.01393	1.3
95.05013	2.4
96.96009	1.9
97.02979	1.6
97.06601	0.9
98.46853	0.5
99.00880	8.0
99.04504	1.7
99.92633	0.6
101.02448	10.7
103.03976	0.9
107.05003	1.6
109.02945	2.3
111.04523	3.2
113.02451	6.6
113.06071	0.7
116.92822	0.6
119.03506	2.6
119.05003	0.8
121.02962	8.8
121.06593	3.7
122.03776	0.6
123.04511	5.6
125.02439	1.3
125.06077	0.8
127.04014	1.6
130.89848	0.6
131.03481	0.8
131.05051	1.2
133.06566	1.3
134.03729	1.3
135.04523	3.6
137.02492	0.6
137.06073	2.5
139.04018	1.5
143.03456	1.1
147.04532	1.2
147.08170	1.5
149.02419	0.9
149.04825	0.8
149.06085	8.8
150.03201	1.2
151.03990	2.7
151.07632	2.0
152.04826	0.7
159.04485	1.5
160.05266	1.4
161.03336	0.9
161.04556	3.8
161.06065	2.6
162.03307	0.7
164.04720	0.7
165.05566	1.9
167.03517	1.9
167.07112	0.8
172.05266	0.7
173.06053	0.8
175.03958	1.4
175.07666	1.4
176.04730	0.9
177.02003	0.7
177.05591	2.0
179.05632	1.3
179.07092	0.8
185.09714	0.5
187.07658	0.8
189.05515	1.2
189.09206	0.7
190.06387	1.0
193.05042	5.0
193.12483	0.6
199.07571	0.8
199.11324	0.9
201.09116	1.1
205.08714	1.3
211.06128	0.7
217.12337	2.6
224.57036	0.7
229.17961	1.3
255.12242	1.0
265.09024	1.4
271.02216	1.0
277.83231	0.6
296.10583	0.9
309.17178	0.7
311.12796	1.1
315.05161	1.1
329.13916	0.7
337.16580	2.2
341.13815	4.7
359.15182	3.1
387.18243	0.9
389.12543	1.6
397.16528	0.8
401.12402	0.9
401.21558	0.8
413.19806	1.1
415.17575	1.6
431.20630	1.2
433.18579	2.1
441.18878	1.4
449.21765	1.1
457.18604	0.7
459.20422	5.8
465.02536	0.6
477.21283	30.1
478.21603	2.0
483.20068	0.7
485.17871	0.7
503.19049	4.2
503.32266	4.8
519.22290	13.1
521.33093	1.8
545.20251	11.8
546.20612	0.7
563.21368	100.0
563.30566	11.9
564.21765	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	563.1769
Annotation	2,7-Dihydroxy-4-methoxyphenanthrene 2,7-O-diglucoside
Peak:m/z	Relative Intensity
57.03445	4.9
59.01383	34.6
60.23155	1.1
60.99303	1.3
61.98837	7.1
69.20111	10.3
71.01378	14.1
72.99310	1.6
73.02949	6.2
73.83150	1.0
83.01404	2.6
83.05037	2.0
85.02953	16.5
87.00877	2.4
88.98820	3.5
89.02444	6.7
95.01378	2.2
96.95992	7.8
99.00877	3.1
99.04518	1.7
101.02435	7.5
102.26186	1.1
104.98512	1.0
111.00889	1.7
113.02448	5.7
115.92062	1.3
119.03493	1.8
119.05042	2.6
121.02911	1.8
121.06590	1.9
123.04543	2.2
124.01659	1.3
129.01973	1.9
134.03714	2.3
136.01738	1.4
147.03069	1.4
147.04515	4.1
148.05299	4.0
149.04532	1.6
149.06062	1.4
150.03229	2.1
151.04021	4.8
153.05577	1.4
159.04573	3.1
160.01656	1.8
160.05257	6.3
161.02409	4.9
161.04610	1.3
161.06068	3.4
162.06866	1.4
163.04004	3.4
163.07707	1.2
165.05490	1.4
175.07634	6.3
176.04747	3.1
177.05647	1.1
178.06314	2.8
180.04143	1.4
191.01891	3.5
191.03531	7.4
191.07127	10.4
192.04305	2.0
193.05107	8.3
194.05878	2.0
203.07027	1.4
206.05823	1.8
210.06920	2.4
212.89380	1.1
220.03745	2.4
221.06140	2.4
223.07729	1.7
224.03197	1.5
225.09251	2.1
226.06342	1.7
233.04378	1.2
234.05310	1.6
235.06088	2.4
237.05603	2.6
238.04686	3.6
238.06566	2.9
248.04688	1.4
249.05655	1.5
250.06363	2.8
251.07170	2.2
253.05017	3.4
253.08694	3.8
254.05821	3.2
263.03577	1.4
264.04068	3.1
265.05096	5.1
265.09042	1.4
266.05753	2.8
267.02960	10.9
267.06537	1.7
268.07370	1.5
269.08237	2.8
277.04990	2.5
278.05771	3.2
279.06570	7.4
281.04517	9.6
281.07748	1.9
282.05377	10.4
283.05905	1.8
285.04343	1.8
285.07626	1.7
293.08142	1.5
294.05478	5.4
295.06073	3.7
296.06958	7.8
297.04266	1.8
297.07596	16.6
297.16925	1.2
298.07568	1.4
307.05997	1.5
308.06952	4.6
309.04193	2.1
309.07700	8.7
310.04727	2.3
310.08139	1.4
311.09167	6.3
312.10101	9.0
322.04929	3.5
323.05472	3.8
324.06406	17.6
324.09909	1.6
325.06863	3.3
325.10422	1.4
326.11703	1.7
327.12161	4.3
329.13947	22.0
336.06445	4.7
337.07144	20.3
338.04321	1.7
338.07959	4.7
339.08685	21.1
340.05859	3.2
340.09433	1.8
341.06635	6.7
341.13855	1.3
341.23459	1.8
351.08679	5.0
352.09470	6.0
353.06604	30.2
353.10165	2.4
354.06677	1.5
355.08182	8.9
356.08966	19.0
357.13522	3.5
359.15009	3.4
359.24527	2.0
368.08945	25.7
369.08957	1.2
370.10577	5.0
371.11337	78.8
372.11685	3.7
383.11356	100.0
384.11661	6.4
389.16037	3.0
394.59366	1.2
401.12390	83.8
402.12585	3.4
425.12375	2.5
477.21606	1.9
503.28897	8.0
508.06009	1.2
519.24506	7.2
521.20178	1.8
521.29803	1.4
533.16449	4.4
563.18457	14.5
563.30389	1.8
564.21820	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1039
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
59.01377	7.7
69.51243	2.3
69.51660	4.3
69.88808	0.9
71.01353	2.8
72.99288	1.3
78.20835	0.9
80.58348	0.8
83.05018	1.3
85.02908	2.9
88.98801	1.2
93.03424	1.6
99.00832	3.1
101.02420	1.3
113.02386	1.2
121.02892	3.5
121.06573	1.0
123.04536	1.5
127.03989	1.0
135.04480	1.6
137.05995	1.8
141.05412	0.9
149.05992	3.2
151.00342	2.0
151.07507	1.1
175.03932	1.0
177.05463	1.2
193.04919	1.4
205.44853	0.9
217.12219	1.6
224.56416	0.8
227.03326	1.6
243.02975	9.3
254.01993	1.4
255.00577	1.4
255.02953	17.9
255.12003	1.1
271.02444	41.5
272.02780	2.0
299.02032	1.4
300.02725	100.0
301.02820	3.5
315.05090	87.6
316.05231	3.0
389.11908	1.4
457.17957	1.2
459.19986	4.2
477.21201	12.7
519.22217	6.4
545.20184	6.2
563.20734	32.3
564.21289	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.6
61.98827	100.0
69.53029	1.1
69.53435	0.5
71.01400	0.4
73.63984	0.2
85.02959	0.4
87.00890	0.4
89.02452	0.2
98.20650	0.5
100.24337	0.2
109.02913	0.3
115.00375	1.0
135.04535	0.3
138.26683	0.2
149.06021	1.6
161.02448	2.0
175.02498	1.6
175.04018	0.9
177.01967	0.7
187.04019	0.3
193.05043	0.5
219.03017	1.1
231.06587	0.2
233.04556	0.8
237.04051	1.6
269.06601	0.3
277.03604	0.7
291.08353	0.4
293.06641	0.5
307.86035	0.2
319.04645	0.4
337.05493	4.4
338.05853	0.3
499.10880	13.0
500.11618	0.7
562.10565	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01378	100.0
60.99313	0.6
61.98830	15.4
71.01398	1.1
71.05016	0.9
71.53658	0.4
85.02955	0.5
86.07099	0.3
87.04535	1.0
88.98802	3.8
99.04525	1.2
108.69814	0.3
114.24461	0.4
121.02972	2.4
123.08168	0.5
126.78453	0.3
139.04132	0.3
146.55504	0.4
147.04558	1.6
171.10298	0.5
182.31471	0.4
337.25107	0.7
339.27084	0.7
341.24930	0.6
357.24301	7.9
371.25961	1.0
387.25641	1.1
409.31281	1.6
413.26941	4.9
439.32272	2.4
443.27966	6.2
443.34097	0.5
444.28461	0.6
471.31113	0.7
501.32211	29.0
502.32428	2.3
533.26019	0.5
561.25323	4.8
561.34363	2.6
574.82184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.4
58.18050	0.4
59.01380	100.0
60.01698	0.8
60.99305	0.7
61.98830	17.5
71.01392	0.8
71.05018	1.0
83.05025	0.6
85.02946	1.0
87.04507	0.7
88.98813	4.5
89.02483	0.6
94.00788	0.4
98.19830	0.6
99.04563	1.6
100.64846	0.4
121.02957	2.5
121.43301	0.4
123.08198	0.6
147.04546	1.7
173.63702	0.4
199.13400	0.5
211.37529	0.4
229.46242	0.6
321.60419	0.5
337.25357	0.7
339.27032	1.1
341.25018	0.8
357.24274	8.3
357.28229	0.5
371.25900	0.9
383.26019	0.6
387.25415	1.2
409.31396	1.1
413.27020	4.4
421.31332	0.6
439.31998	2.8
443.27936	6.2
444.28976	0.5
471.31424	1.0
501.32205	30.5
502.32700	1.6
529.21387	0.7
533.25708	0.5
561.25201	4.5
561.34344	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	561.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48304	0.1
51.43564	0.1
55.01874	1.5
56.99116	0.1
57.03448	2.6
57.67953	0.1
58.00587	0.6
58.04132	0.1
59.01377	72.1
60.01703	0.4
60.48398	0.1
61.98839	0.6
69.03458	0.7
70.72752	0.2
71.01379	21.6
72.99307	1.1
73.02943	7.8
73.03362	0.3
75.00859	0.4
77.64069	0.1
81.03461	0.1
83.01384	3.3
84.02177	0.3
85.02946	11.4
85.06578	0.9
86.00113	0.9
86.03296	0.2
87.00876	1.3
88.98793	0.3
89.02444	5.3
95.01385	2.0
97.02960	0.7
97.06590	0.1
99.00877	2.6
99.04497	0.9
101.02438	13.8
111.00882	0.4
113.02445	8.7
113.61068	0.1
114.02748	0.2
114.98768	0.1
119.03482	1.5
125.02442	0.5
131.03503	0.2
143.03503	0.6
143.10793	0.4
159.02966	0.8
161.04533	3.6
161.05908	0.2
171.10330	0.2
195.17537	0.2
211.13393	0.2
211.17035	0.6
235.20738	0.1
237.22292	0.3
253.09317	0.2
297.24365	0.2
313.27292	0.9
321.24298	0.9
325.20078	0.4
339.25281	1.3
357.26385	0.3
445.92380	0.2
457.31528	0.6
475.32675	2.5
483.29617	1.2
487.99658	0.2
501.30716	2.8
502.31064	0.2
519.25531	0.2
519.31891	1.6
543.31860	1.0
561.32727	100.0
562.33081	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	561.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21579	0.5
52.79670	0.4
54.14975	0.4
57.03448	1.1
58.00588	0.4
59.01378	100.0
60.99313	0.4
61.98833	4.5
63.28158	0.4
65.64795	0.4
69.87299	1.9
71.01382	3.7
73.02944	1.2
75.00887	0.5
77.54255	0.4
83.01383	1.1
83.05010	0.9
85.02948	2.2
87.00891	0.7
87.04524	1.0
89.02452	1.0
95.05029	0.5
98.19898	0.5
99.04519	6.5
101.02459	1.9
101.06081	0.8
113.02456	0.6
121.02956	1.0
123.08218	0.5
124.05350	0.5
125.02512	0.5
135.08154	2.0
147.04538	0.9
151.07657	1.1
161.04648	0.6
163.11235	0.4
165.39023	0.4
169.12323	1.6
171.10297	2.2
201.11330	0.9
209.11807	3.5
213.15010	0.9
315.13608	0.7
339.25543	0.5
341.20950	0.5
343.31253	0.5
357.26620	0.7
369.24417	0.5
373.13953	0.8
385.23816	2.1
387.25452	3.6
415.24832	1.2
419.23853	0.6
429.26398	3.1
457.25812	2.2
473.31348	0.8
475.26846	3.6
476.27545	0.5
501.30975	2.5
517.28027	64.1
518.28406	4.2
519.31921	3.0
561.25812	4.2
561.32758	15.5
562.33502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03393	0.9
57.03670	0.5
59.01295	23.1
59.01628	3.3
59.01804	1.1
59.11642	0.5
59.16683	0.5
61.01668	0.4
61.98737	1.8
71.01283	4.3
73.02847	2.0
79.59661	0.5
83.01309	0.6
85.02856	7.9
89.02360	1.4
93.03355	4.0
96.95928	0.7
99.04417	1.6
101.02441	2.9
109.02840	1.2
112.06741	0.6
113.02332	2.1
121.02956	56.0
121.03753	2.3
121.04183	1.7
123.04420	0.9
147.04405	1.0
160.05190	0.6
161.04578	0.7
161.05945	2.4
171.10172	1.2
189.05421	0.7
190.06332	2.8
191.07011	1.4
205.08598	0.9
230.36198	0.6
245.29735	0.5
259.78644	0.5
313.14093	0.9
327.12323	1.7
328.27994	0.6
339.25418	0.9
341.13855	1.1
342.14703	63.5
343.15143	2.6
357.17065	100.0
358.17511	3.5
395.19730	0.6
406.89258	0.6
424.75711	0.5
483.24075	1.1
501.30524	2.5
519.25348	4.3
519.32202	1.9
561.24677	1.3
561.33026	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	561.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86369	0.7
51.59449	0.8
55.01883	1.5
57.03450	3.8
59.01380	100.0
61.98834	15.9
68.99838	1.1
69.03452	1.7
69.47468	4.7
71.01385	13.7
71.05048	0.9
72.99332	1.6
73.02955	6.9
81.03468	2.5
83.01410	3.2
83.05036	4.9
85.02952	8.1
87.00879	1.1
88.16689	0.7
89.02460	2.5
94.24550	0.7
95.01401	1.3
95.05045	1.5
96.96010	0.8
97.02937	1.3
97.06615	1.6
98.20683	1.4
99.00895	1.4
99.04522	12.0
99.92636	0.6
101.02442	8.0
101.06107	2.0
103.04037	0.8
105.07111	1.0
107.05038	3.3
109.02967	2.3
109.06581	7.7
110.51745	0.7
111.04507	1.7
112.98548	0.8
113.02442	4.2
113.06104	1.4
116.92943	0.9
119.03543	1.4
121.02988	1.0
123.04574	1.3
125.02423	0.8
125.06072	1.2
127.04040	1.7
131.04962	0.8
133.06604	7.3
135.04552	4.2
135.08127	0.9
137.06052	1.0
141.05597	3.5
141.87482	0.9
147.04565	1.5
147.08209	1.8
149.06049	1.0
151.04039	1.2
153.05609	1.2
157.06633	1.3
159.08186	3.1
159.11806	0.9
161.04614	1.8
161.06020	1.3
161.09752	3.0
163.07715	1.3
167.07155	1.3
171.08165	4.6
171.10306	1.4
173.09750	3.1
175.07634	1.7
175.11273	0.9
179.05699	0.9
185.09758	2.3
187.07730	1.0
187.11263	4.0
188.08357	1.0
189.09271	3.3
191.07295	0.9
198.06943	1.3
199.07690	1.3
200.08481	1.4
211.11371	1.1
213.09244	3.5
215.10725	6.8
230.09567	1.1
236.84065	0.7
245.11823	8.0
251.16530	1.5
271.13324	1.1
271.17401	0.8
315.16229	1.3
339.25449	1.4
357.26578	2.2
377.55753	0.8
379.19052	1.2
381.17065	2.5
407.18820	1.3
415.21719	1.6
425.19928	3.4
439.21301	2.2
441.18918	4.5
443.20709	10.1
473.21439	0.9
477.21252	6.5
485.21875	12.0
499.24051	1.3
501.30960	4.5
517.24652	4.9
519.25189	1.5
519.32288	4.6
529.20776	64.6
530.21313	3.5
561.23871	37.9
561.33038	39.0
562.24133	2.5
562.32861	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59404	0.7
55.97678	0.7
57.03438	1.1
58.00600	0.9
59.01081	1.4
59.01378	25.6
70.00625	3.1
71.01381	12.7
83.01383	1.1
85.02950	10.7
87.00877	1.0
89.02443	15.0
94.59594	0.7
95.01402	1.1
96.92220	0.8
98.20025	1.5
98.20624	1.1
99.00879	0.9
101.02451	9.2
103.04010	18.2
113.02432	6.4
114.73969	0.7
115.00421	1.3
119.03481	7.4
145.05093	1.3
161.04582	0.7
179.05661	1.0
205.03281	0.7
265.09271	100.0
266.09558	1.8
295.10333	22.7
401.57623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91975	0.6
57.03411	0.9
59.01324	42.0
61.98777	2.5
61.99070	0.8
62.50407	0.6
69.32388	2.4
69.32816	3.1
71.01385	7.8
72.86901	0.5
73.02950	3.2
83.01347	1.4
85.02954	10.1
87.00835	0.7
89.02386	2.1
91.52236	0.5
93.03466	4.6
96.96004	0.6
97.02924	0.7
98.20606	1.1
99.04526	3.1
101.02447	5.1
108.02071	0.8
109.02873	1.5
113.02473	3.4
121.02955	59.2
125.02390	0.8
125.09619	0.7
130.63229	0.6
130.89597	0.5
137.06062	0.7
147.04416	1.7
149.06076	0.6
159.04497	0.8
160.05301	1.1
161.04622	0.9
161.05983	2.7
171.10205	1.1
172.05115	0.6
190.06369	3.6
191.07083	1.5
197.11682	0.6
209.11780	0.8
258.12640	0.6
313.27289	0.7
327.12418	2.2
339.25461	1.7
341.13995	0.8
342.14700	65.5
343.15189	3.2
357.17059	100.0
358.17432	3.2
399.22510	0.7
468.80237	0.6
483.29852	0.7
501.30679	4.2
519.25500	5.2
519.32208	1.8
528.06604	0.7
560.32043	0.7
561.25769	1.9
561.32886	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	560.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97319	0.1
59.01382	1.0
59.23990	0.1
61.98832	100.0
62.98521	0.1
68.91471	0.1
71.01387	0.3
73.02953	0.1
85.02949	0.2
101.02454	0.1
113.02544	0.2
121.02938	0.1
155.93985	0.1
229.60617	0.2
240.90898	0.1
345.60825	0.1
357.15851	0.2
440.90958	0.1
492.96021	0.2
500.32333	0.6
561.32623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39098	0.3
58.44681	0.3
59.01380	100.0
59.77847	0.3
60.01719	0.4
61.98829	0.7
65.81873	0.3
83.07253	0.3
119.03574	0.4
123.04526	1.8
139.20647	0.3
147.04573	0.5
177.83772	0.4
182.46082	0.3
434.26526	0.3
467.32123	0.5
485.70071	0.3
559.30890	2.3
585.75494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79090	0.8
56.52958	0.8
57.03451	3.1
58.02964	6.1
59.01370	1.0
59.43217	1.0
61.98852	1.5
70.02976	2.6
72.00908	1.1
85.02946	9.2
91.05538	2.5
96.96005	1.3
101.02451	5.5
103.04019	5.7
129.01942	46.9
133.02896	0.9
135.04535	2.3
147.02997	100.0
147.04449	8.2
161.02419	2.0
164.07161	30.6
179.03433	3.7
206.08215	58.1
249.08098	1.6
250.07623	0.9
294.07147	1.2
309.06186	6.1
413.22208	1.1
468.80212	0.9
516.14691	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
57.03448	0.3
59.01379	100.0
60.01726	0.5
61.98820	1.2
62.44838	0.1
69.03481	0.2
70.38977	0.5
71.01379	2.2
73.02959	0.6
83.01410	0.4
83.05029	0.2
85.02955	1.5
85.06632	0.2
87.00860	0.2
89.02452	0.5
95.01436	0.2
97.02988	0.2
98.20029	0.2
99.00899	0.5
99.04533	0.7
101.02446	1.2
113.02459	1.0
116.29298	0.1
143.03526	0.2
147.04541	0.2
161.04599	0.6
163.11371	0.2
165.27437	0.2
171.04514	0.2
181.12378	0.4
199.13393	0.7
207.10323	0.6
209.11818	0.9
210.12076	0.1
225.11349	1.2
243.12366	0.2
311.22382	0.1
317.16003	0.3
355.28726	0.4
444.76285	0.1
499.32755	2.2
515.28491	0.7
517.34131	1.9
527.28577	2.6
527.35944	0.2
528.29279	0.2
559.35913	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.99320	0.5
61.98837	8.1
63.48933	0.5
69.72789	2.4
71.01388	0.8
78.95912	0.7
83.05045	1.8
85.02972	0.6
97.06621	1.5
99.04522	40.2
101.06100	0.7
103.14508	0.5
109.06616	1.1
111.08161	0.6
121.02959	0.9
125.09750	0.5
142.16846	0.5
147.04520	1.0
147.08253	0.6
152.99626	0.7
209.11804	0.7
211.13339	1.0
224.64738	0.6
273.04230	0.5
281.15515	0.8
285.18613	0.7
299.16614	0.6
353.21274	0.6
367.63562	0.6
379.22986	0.8
397.23877	4.1
415.25012	1.2
459.24042	1.5
479.28256	2.2
481.29773	2.9
497.29327	2.1
499.30521	3.2
515.30115	2.1
517.24841	1.9
523.27728	1.0
541.28058	3.0
559.29346	19.5
560.29810	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01716	0.4
61.98835	0.8
67.20645	0.1
71.01385	0.2
71.45581	0.1
73.02964	0.1
75.03580	0.1
83.05035	0.3
85.02975	0.2
92.29328	0.1
97.06566	0.1
98.20417	0.1
99.04518	0.7
100.04825	0.1
101.02460	0.1
101.06079	0.4
103.15223	0.1
109.06645	0.1
121.02975	0.2
135.04582	0.1
143.76947	0.1
147.04483	0.1
150.24646	0.1
151.04028	0.1
156.95491	0.1
199.13446	0.1
228.11014	0.1
238.13611	0.1
246.58369	0.1
311.44235	0.1
355.24939	0.1
387.25552	0.1
441.26163	0.1
497.22067	0.1
499.32898	0.1
515.27045	0.1
517.28320	2.0
518.28613	0.2
527.28632	0.1
541.24866	0.1
559.25354	1.7
560.27069	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	559.2911
Annotation	Kadcoccilactone F
Peak:m/z	Relative Intensity
50.65965	0.9
53.33354	1.1
54.94083	0.8
59.01378	81.9
61.98824	12.9
69.17445	7.0
71.01375	3.7
71.05014	1.7
72.99294	1.4
78.95922	1.6
79.05550	1.2
81.18739	0.9
83.05021	3.3
85.02950	100.0
86.03262	0.9
88.98798	2.9
93.03454	1.7
97.02942	1.2
97.06594	2.8
98.19941	2.4
99.00864	2.7
99.04518	76.9
101.06089	1.3
109.06583	1.5
111.04482	1.5
121.02931	3.4
123.04496	1.5
124.28594	1.0
133.06609	3.9
135.04489	1.0
135.08177	1.1
145.49846	0.9
146.62157	0.9
147.04523	2.2
149.06053	2.8
161.05995	1.0
161.09747	1.2
163.11258	2.2
173.09714	2.7
177.05492	1.2
187.11249	1.2
191.10771	1.4
193.05136	2.0
197.09821	1.3
199.07454	1.0
209.09634	0.9
210.97766	0.9
211.06104	2.1
211.13335	1.8
237.12796	2.2
263.14456	1.6
265.49478	1.0
281.15356	4.9
307.19138	2.2
309.18521	1.4
353.21204	3.8
379.22873	7.5
387.25201	0.9
397.23703	8.7
415.24673	1.6
437.16058	2.0
441.23904	1.3
455.16782	1.6
461.26935	3.7
469.29602	2.1
473.18259	4.0
479.27921	11.7
481.29672	3.1
497.29016	10.2
515.30457	1.5
517.27008	2.4
541.20709	3.3
541.28094	1.3
559.29132	67.9
560.29486	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	559.2918
Annotation	Kadcoccilactone F
Peak:m/z	Relative Intensity
59.01379	100.0
61.98833	7.8
69.03448	0.4
69.46832	0.4
71.01395	1.3
71.05030	0.5
78.95918	0.9
83.05053	1.7
85.02975	0.4
88.98829	1.7
96.96114	0.4
97.06614	2.0
99.04522	52.7
100.04872	0.8
109.06593	1.0
111.87897	0.5
121.02994	0.6
133.06648	0.7
136.05333	0.5
137.06078	0.6
147.04579	0.8
148.04878	0.6
149.09680	0.5
185.09767	0.6
185.59196	0.5
211.13470	1.3
225.21620	0.4
237.13023	0.5
281.15552	0.8
299.16711	1.9
353.21408	1.2
379.23004	1.1
397.23785	5.2
415.25049	1.1
433.26520	0.7
459.24252	1.6
479.27917	2.4
481.29602	3.3
497.28943	3.1
499.30353	2.2
515.30273	2.5
517.25098	1.3
523.27417	1.0
541.28076	4.3
559.29260	25.6
560.29871	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	559.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.8
59.01379	19.2
61.98816	2.6
66.58266	0.5
67.11037	0.5
70.38441	1.1
71.01379	2.2
71.05040	0.4
72.40221	0.5
72.99302	5.9
81.03459	0.5
83.05010	1.8
85.02956	2.9
87.00875	27.5
87.04517	1.0
97.06590	0.8
99.00865	0.8
99.04515	4.4
101.02443	1.0
101.06123	0.5
101.20021	0.5
107.14056	0.5
113.02431	0.8
121.02971	1.2
125.09695	0.9
135.04460	0.6
147.04529	1.8
151.07611	1.3
151.11232	0.9
163.11278	0.7
171.10226	0.6
178.42215	0.5
181.12280	0.8
182.78625	0.5
205.79053	0.6
209.11801	1.3
225.11351	2.2
243.12233	0.5
245.11813	0.6
277.14377	1.5
278.15225	3.9
279.21283	0.8
297.22299	0.7
314.75974	0.6
317.15945	1.1
341.21112	1.1
345.20761	0.9
381.24286	1.1
399.25333	1.2
411.25412	1.5
425.23224	0.6
429.26489	3.1
443.24283	0.7
455.24426	1.7
471.27631	0.5
473.25397	10.4
474.25775	0.8
497.25211	1.2
499.29138	1.2
515.26483	100.0
516.26746	6.2
517.23578	0.8
517.30511	0.8
527.28497	2.0
559.23694	2.6
559.30560	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	11.2
58.00592	0.8
59.01379	100.0
60.01717	0.5
61.98832	9.3
65.03967	0.5
69.03447	0.9
69.26390	3.8
69.26794	1.1
71.01382	13.5
71.05020	0.6
72.99309	2.9
73.02949	4.9
73.05791	0.5
75.00903	0.5
77.27827	0.5
79.05524	0.6
81.03466	1.0
83.01394	2.3
83.05019	1.6
85.02946	7.2
87.00877	2.4
88.27450	0.5
88.98799	1.3
89.02443	8.9
93.03468	0.8
95.05022	2.4
96.96005	2.1
97.02946	1.4
98.01498	0.6
99.00889	4.1
99.04517	11.6
101.02444	12.0
103.04005	1.1
107.05021	1.0
109.02943	1.2
109.06596	1.4
111.04543	3.2
113.02440	5.8
113.06066	3.4
119.03493	4.1
119.05015	0.9
121.02968	5.3
121.06562	1.3
123.04506	3.0
125.02457	4.8
127.04136	0.7
133.06569	0.7
135.04483	1.2
135.08098	0.6
136.99133	0.7
139.03978	0.6
143.03461	1.2
145.03857	0.5
147.03018	0.6
147.04477	1.8
147.08081	0.7
149.06039	2.4
151.04018	0.9
157.05016	0.9
161.04541	1.6
161.06000	1.1
165.05556	1.3
167.03409	0.9
168.00626	0.9
171.08194	0.7
171.67711	0.5
173.09686	1.0
175.03973	1.6
176.04776	2.1
177.12868	2.8
179.05534	1.4
179.07051	0.5
193.05089	4.5
196.00679	0.6
199.07625	1.2
201.09192	6.3
207.06618	1.7
211.06107	5.0
215.14351	1.2
217.08963	0.6
242.72282	0.6
244.53755	0.5
245.08176	0.5
247.09686	0.6
253.07123	0.9
265.09094	0.6
379.17264	1.6
415.23309	1.6
425.10889	0.8
425.16064	14.4
426.15756	1.0
431.24127	0.9
439.21341	0.6
457.23730	0.8
473.21490	0.6
485.11258	1.0
485.18143	20.4
486.18677	1.0
499.22794	2.2
499.29279	1.2
521.78882	0.6
523.34412	1.3
541.24335	0.8
559.17792	28.1
559.25269	5.7
559.31354	5.4
560.18481	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	559.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28248	3.2
57.03431	6.7
58.56002	3.2
59.01380	70.8
61.98841	5.9
70.17700	12.0
71.01377	14.6
72.68579	2.7
78.98603	2.8
79.35744	3.2
80.05062	6.6
82.40196	3.3
83.01347	3.3
85.02953	7.6
87.00883	3.9
87.04514	6.7
89.02433	7.6
93.03439	4.5
94.06609	4.8
96.48663	3.1
96.96028	7.1
98.20611	3.8
99.04514	7.1
101.02441	9.9
104.05097	3.5
106.06628	29.9
107.05000	9.3
108.02161	14.2
108.04531	4.0
109.06566	3.7
113.02462	6.2
119.04887	2.9
121.02983	7.5
122.03718	4.7
122.06123	54.2
123.04534	9.1
125.02443	3.9
125.06063	10.0
131.03514	6.3
132.04550	37.3
133.05276	4.9
134.06123	64.4
135.04553	4.3
137.53189	3.3
141.05566	4.6
146.06094	9.4
148.04041	10.2
149.02394	3.8
150.03180	10.1
150.05579	9.5
152.01114	33.7
160.04059	48.9
160.07632	5.3
161.04724	5.6
162.05568	8.4
165.04283	6.0
165.05554	7.0
166.02736	3.8
166.05035	8.9
167.03477	72.0
176.03580	4.6
176.07199	6.7
178.05090	25.1
184.06203	4.0
184.07719	7.2
186.09160	7.7
188.07292	5.1
188.10747	4.9
198.05620	4.2
198.09200	4.7
200.10568	3.4
202.08714	19.5
204.03011	15.6
204.06520	3.9
206.08212	12.5
212.07533	3.5
213.07707	3.5
214.08667	10.0
214.12331	13.5
216.10245	3.7
224.10803	3.7
225.58670	3.5
226.08684	5.7
228.10303	3.4
230.08237	6.7
230.11797	18.1
239.11890	4.0
240.10274	6.8
242.11885	16.1
246.07715	8.3
255.11420	3.4
258.11310	10.0
262.10825	3.6
267.11371	5.3
268.09781	7.5
274.10837	13.8
286.10822	5.7
292.11792	7.5
295.10974	6.9
302.10294	5.4
318.09579	4.5
319.11856	3.7
321.12326	5.7
327.55280	3.2
330.09436	4.3
337.15588	4.2
339.09802	3.9
357.10678	3.7
358.13156	3.2
365.11349	10.1
373.15613	5.3
383.12241	9.8
391.16513	12.3
409.17725	29.6
417.14499	7.6
427.18527	3.9
435.15585	27.8
453.16632	35.0
455.14386	6.8
461.13467	6.8
471.17734	26.1
479.14597	25.5
497.15509	73.4
515.16644	100.0
541.15009	5.7
559.14417	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28248	3.2
57.03431	6.7
58.56002	3.2
59.01380	70.8
61.98841	5.9
70.17700	12.0
71.01377	14.6
72.68579	2.7
78.98603	2.8
79.35744	3.2
80.05062	6.6
82.40196	3.3
83.01347	3.3
85.02953	7.6
87.00883	3.9
87.04514	6.7
89.02433	7.6
93.03439	4.5
94.06609	4.8
96.48663	3.1
96.96028	7.1
98.20611	3.8
99.04514	7.1
101.02441	9.9
104.05097	3.5
106.06628	29.9
107.05000	9.3
108.02161	14.2
108.04531	4.0
109.06566	3.7
113.02462	6.2
119.04887	2.9
121.02983	7.5
122.03718	4.7
122.06123	54.2
123.04534	9.1
125.02443	3.9
125.06063	10.0
131.03514	6.3
132.04550	37.3
133.05276	4.9
134.06123	64.4
135.04553	4.3
137.53189	3.3
141.05566	4.6
146.06094	9.4
148.04041	10.2
149.02394	3.8
150.03180	10.1
150.05579	9.5
152.01114	33.7
160.04059	48.9
160.07632	5.3
161.04724	5.6
162.05568	8.4
165.04283	6.0
165.05554	7.0
166.02736	3.8
166.05035	8.9
167.03477	72.0
176.03580	4.6
176.07199	6.7
178.05090	25.1
184.06203	4.0
184.07719	7.2
186.09160	7.7
188.07292	5.1
188.10747	4.9
198.05620	4.2
198.09200	4.7
200.10568	3.4
202.08714	19.5
204.03011	15.6
204.06520	3.9
206.08212	12.5
212.07533	3.5
213.07707	3.5
214.08667	10.0
214.12331	13.5
216.10245	3.7
224.10803	3.7
225.58670	3.5
226.08684	5.7
228.10303	3.4
230.08237	6.7
230.11797	18.1
239.11890	4.0
240.10274	6.8
242.11885	16.1
246.07715	8.3
255.11420	3.4
258.11310	10.0
262.10825	3.6
267.11371	5.3
268.09781	7.5
274.10837	13.8
286.10822	5.7
292.11792	7.5
295.10974	6.9
302.10294	5.4
318.09579	4.5
319.11856	3.7
321.12326	5.7
327.55280	3.2
330.09436	4.3
337.15588	4.2
339.09802	3.9
357.10678	3.7
358.13156	3.2
365.11349	10.1
373.15613	5.3
383.12241	9.8
391.16513	12.3
409.17725	29.6
417.14499	7.6
427.18527	3.9
435.15585	27.8
453.16632	35.0
455.14386	6.8
461.13467	6.8
471.17734	26.1
479.14597	25.5
497.15509	73.4
515.16644	100.0
541.15009	5.7
559.14417	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38990	2.4
59.01372	10.0
59.46165	2.1
71.01373	11.7
73.02939	9.4
75.00849	6.5
75.64506	2.3
83.01392	20.5
85.02940	3.0
95.01367	2.6
97.02950	2.6
97.04034	2.5
98.19873	4.8
98.20590	10.8
99.00918	3.1
101.02438	7.0
107.72439	2.2
109.02959	28.5
113.02431	4.9
123.77608	2.6
129.01942	5.6
133.02966	5.4
133.43881	2.2
135.04529	16.3
137.02515	2.0
143.04979	5.6
147.04524	2.4
148.05330	2.5
149.02579	2.6
149.06067	20.3
161.02441	41.7
161.04770	2.2
161.06030	13.8
171.04483	9.9
174.03201	6.2
177.05479	6.1
188.04758	3.7
189.05557	49.6
207.06622	9.4
215.07294	2.1
216.61909	2.5
221.04492	2.9
229.28687	3.0
231.06618	5.0
275.05542	14.8
293.06656	4.9
345.08090	8.0
369.12009	6.0
395.09842	4.3
411.12952	5.6
413.10825	9.9
455.11911	100.0
456.12225	4.3
473.12625	4.4
497.12939	3.8
499.10721	8.0
515.13959	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	558.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48162	0.1
59.01375	0.8
61.98829	100.0
62.98541	0.1
69.16299	0.2
69.16638	1.0
71.01385	0.3
73.02944	0.2
82.91123	0.1
83.01386	0.1
85.02950	0.2
92.75496	0.1
99.04540	0.2
100.18334	0.1
101.02467	0.2
109.20802	0.1
157.44843	0.1
164.73361	0.1
198.94446	0.1
209.48120	0.1
224.81058	0.1
249.16779	0.1
320.88672	0.1
498.30899	0.4
502.10059	0.1
533.17474	0.1
558.29486	0.2
559.31354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.3
60.01707	0.6
61.27791	0.2
61.98829	100.0
71.01385	0.8
71.54292	0.3
73.02946	0.2
80.44551	0.2
85.02956	0.7
89.02444	0.3
99.04520	1.4
101.02483	0.6
107.68628	0.2
113.02456	0.2
121.02897	0.2
191.39870	0.2
386.43594	0.2
449.34015	0.3
498.31625	0.8
514.27161	0.3
515.28772	0.9
558.29126	1.3
559.24304	0.4
559.32111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40622	0.2
59.01360	0.6
61.98831	100.0
63.51084	0.2
64.96986	0.3
89.44695	0.2
98.20642	1.0
114.34446	0.2
130.34892	0.2
298.68304	0.3
405.41437	0.3
437.94064	0.3
558.29224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.5
59.01379	11.2
60.01723	0.9
61.01791	0.3
61.98829	100.0
71.01384	2.0
71.54805	0.2
72.99304	1.2
73.02943	0.9
74.99089	0.2
75.59699	0.2
81.03452	0.2
83.01392	0.6
83.05061	0.2
84.02170	1.1
85.02958	1.2
85.06601	0.2
85.96366	0.2
87.00878	4.0
88.01216	0.5
89.02464	0.4
95.01386	0.4
96.96014	0.4
99.00905	0.2
99.04514	2.1
101.02438	1.1
102.09041	0.2
110.00114	0.4
110.35782	0.2
111.04485	0.2
111.90772	0.2
112.01685	0.2
113.02447	0.6
125.02389	0.3
136.99142	0.2
161.04637	0.4
166.55965	0.2
172.68898	0.2
190.69897	0.2
247.13332	0.2
277.14395	0.2
499.22672	0.3
499.29330	0.3
516.26807	1.3
517.24701	0.3
530.28333	3.1
558.27960	12.0
559.17242	0.3
559.31537	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	558.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91547	0.8
59.01363	1.3
59.63390	0.8
61.56497	0.8
61.56843	0.8
61.98829	100.0
65.12399	0.7
66.48122	0.8
71.53027	0.8
71.53399	0.9
75.03046	0.8
80.96525	1.2
82.96098	2.0
85.02948	1.0
94.65891	0.8
101.05449	0.8
110.95934	0.7
195.89482	0.8
205.21577	1.0
272.30057	0.9
277.21667	5.1
558.28986	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	557.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
57.03447	3.9
58.00584	0.8
59.01377	84.1
60.01707	0.5
61.98828	8.3
69.03437	0.8
71.01380	32.3
72.99306	1.2
73.02949	10.8
74.99087	3.2
75.00864	0.6
83.01385	5.9
85.02948	15.1
85.03465	0.8
85.54044	0.4
87.00877	3.2
89.00673	0.8
89.02444	13.9
95.01404	2.1
96.96011	1.2
97.02919	0.7
99.00882	3.0
99.04511	3.7
101.02441	25.5
103.04026	1.4
104.70506	0.5
106.32155	0.6
111.00854	0.6
113.02449	12.8
119.03507	5.0
119.05012	0.7
120.99660	0.6
125.02482	1.0
125.06078	0.7
129.01979	0.8
131.03580	0.6
136.99120	3.2
143.03505	2.3
149.04602	0.6
149.09747	0.6
150.03247	1.6
159.03011	1.9
161.04549	11.5
161.05898	0.8
163.04077	0.5
165.05611	1.7
179.05627	2.4
195.06604	0.6
205.03638	0.6
247.55278	0.5
265.09171	0.5
271.20770	0.7
309.12952	0.5
335.25922	2.3
455.22421	0.6
471.18005	0.6
497.31204	100.0
498.31635	6.0
521.33484	1.3
528.82483	0.6
539.27576	0.6
557.30334	13.6
558.30280	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55478	1.1
53.45467	1.1
55.59736	1.2
57.03436	3.8
58.55592	1.0
59.01379	40.6
61.98832	12.0
69.15996	11.0
71.01381	11.3
72.99290	1.8
73.02940	6.7
74.02534	1.1
74.99095	14.2
79.60555	1.0
82.95387	1.1
83.01388	2.0
85.02943	4.9
87.00882	1.1
89.02449	4.9
96.96003	15.1
98.95596	8.9
98.96465	1.5
99.00875	2.9
99.04511	6.2
99.92575	15.2
100.93394	1.3
101.02416	7.3
103.04018	1.7
113.02455	5.3
115.92075	20.0
115.92831	2.0
116.92857	100.0
117.92904	2.9
119.03488	2.6
119.05017	1.1
121.02927	1.1
125.02442	3.2
135.08171	1.2
136.99149	14.0
150.03146	1.3
161.04509	2.1
165.05569	1.4
184.91780	3.0
195.06676	1.5
265.09305	1.4
292.94559	1.0
300.53595	1.1
359.28000	1.7
366.33990	1.2
375.38101	1.1
435.11322	1.5
453.12289	3.6
471.13260	3.1
472.27307	1.7
495.12857	1.6
513.14441	7.3
513.31104	1.7
516.26154	4.1
521.11639	1.8
521.25153	1.7
521.27350	0.8
521.33252	56.8
522.33856	4.0
557.13110	26.5
557.23956	4.3
557.31055	74.8
558.13379	2.1
558.26550	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	557.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98019	0.7
57.03444	1.5
59.01381	7.7
60.97530	1.3
61.98835	3.7
70.86781	0.4
71.01392	1.9
71.53809	0.4
72.99317	0.6
73.02946	1.2
73.78036	0.3
73.98320	2.9
74.99097	100.0
75.74313	0.3
75.99439	0.4
78.07109	0.5
83.01398	0.4
85.02963	1.0
87.00855	0.3
89.02451	1.1
92.86308	0.4
96.96026	2.0
99.04532	2.1
101.02431	1.8
113.02464	0.7
119.03462	0.4
121.02957	0.7
125.02447	3.2
136.99142	88.9
137.99478	0.3
149.02420	0.7
149.06073	0.5
150.03275	1.8
161.04628	0.5
165.05620	2.2
168.00661	0.7
169.01447	3.1
195.06693	1.0
301.37741	0.4
344.12576	0.4
359.14960	1.0
361.16531	0.7
509.21725	1.3
517.15100	0.4
531.87793	0.5
539.22388	0.5
557.28156	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	557.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78337	0.2
56.98029	0.6
57.03435	0.6
58.00588	0.2
59.01379	6.4
60.97531	1.3
61.98830	5.0
63.96230	0.4
70.03025	0.6
70.03442	0.4
71.01379	1.4
72.97557	0.2
72.99309	0.3
73.02941	1.0
73.98321	3.5
74.99094	100.0
78.40079	0.2
79.61151	0.2
83.01383	0.3
85.02954	0.8
87.00886	0.8
89.02444	0.9
96.95990	0.3
99.04523	0.7
101.02444	1.2
113.02448	0.7
119.03491	0.2
120.99653	1.6
125.72218	0.2
136.99139	88.0
137.99487	0.3
161.04570	0.3
497.29166	0.5
557.28296	13.7
558.28015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09344	0.2
53.40013	0.2
53.97601	0.2
57.03442	0.3
57.14197	0.2
59.01379	11.4
60.01715	0.8
61.98829	100.0
71.01379	1.4
71.04975	0.2
71.54814	0.2
71.55164	0.2
73.02955	0.5
75.67236	0.2
78.37629	0.2
81.53088	0.2
83.01428	0.3
85.02963	1.0
89.02445	0.7
90.02797	0.3
96.95989	0.3
99.00880	0.3
99.04521	4.4
100.04885	0.5
101.02444	1.0
113.02467	0.6
121.02942	0.2
147.08125	0.2
160.05220	0.2
161.04559	0.3
456.21021	0.6
475.03891	0.2
496.23627	0.3
496.29971	0.9
497.25369	0.4
512.26086	0.2
513.26630	0.4
514.25378	0.8
538.25433	1.3
556.26324	7.1
557.27686	0.9
560.63678	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80616	1.0
59.01382	100.0
61.98841	1.1
65.33133	1.2
71.53443	1.5
97.06602	1.6
109.19646	1.0
113.20769	1.0
115.92062	1.4
271.06808	1.0
279.90732	1.1
313.36725	1.1
413.26892	2.8
440.30594	1.2
495.30972	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	555.39
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
61.98843	2.6
67.43358	0.6
70.76032	1.1
70.76406	0.9
71.01387	1.4
71.05013	2.4
71.49039	0.5
85.39652	0.5
90.65900	0.5
97.02945	1.4
97.06594	2.2
99.00877	11.5
109.06551	0.9
125.09729	6.0
127.11275	0.7
160.31398	0.5
160.85591	0.5
163.11266	7.1
181.10837	0.8
181.12331	9.2
197.11734	1.0
199.13387	25.4
200.13690	0.7
202.62134	0.5
207.08501	0.3
207.10237	17.0
225.11316	41.2
226.11664	1.1
243.12337	9.4
255.23274	57.0
256.23627	1.5
292.56476	0.5
299.15012	3.0
317.16061	10.6
381.28732	0.5
555.38983	100.0
556.39282	5.7
579.87781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00902	0.2
55.01878	0.7
57.03449	0.7
58.00586	0.3
59.01380	100.0
59.31147	0.3
60.01713	0.5
61.98830	3.0
68.68169	0.2
68.99586	0.5
71.01381	8.5
72.99320	0.4
73.02946	3.2
75.57161	0.2
81.01479	0.2
83.01380	1.6
83.05028	0.5
85.02953	7.1
87.00909	0.3
89.02440	1.9
89.62286	0.2
93.03474	0.4
95.01392	0.3
98.20691	0.5
99.00897	1.1
99.04521	3.2
100.04939	0.3
101.02440	7.1
103.04041	0.3
107.05039	0.3
112.98573	0.3
113.02457	4.0
119.03510	0.4
121.02959	0.4
125.02460	0.3
133.06613	0.3
138.40442	0.3
138.65041	0.2
143.03453	0.5
155.72105	0.3
159.03049	1.1
161.04550	8.2
161.05904	0.5
185.09673	0.3
213.09326	0.3
229.22679	0.4
241.08496	0.3
425.20142	0.4
455.21164	0.3
469.19019	0.3
471.20981	0.4
477.28906	1.3
484.25870	0.3
495.29651	15.2
496.30161	0.7
513.25305	1.0
537.25159	0.9
539.28705	0.3
555.25690	8.3
556.26721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33786	0.4
58.00618	0.7
59.01381	100.0
61.98836	1.0
69.16713	4.0
71.01382	9.1
72.99336	0.8
73.02976	0.8
82.05006	0.4
85.02942	3.0
87.00893	1.1
89.02444	19.1
99.04521	1.0
101.02429	5.2
113.02451	5.1
119.03506	7.9
130.88028	0.4
131.03528	1.1
133.06584	0.4
143.03513	1.9
149.04669	0.6
158.86856	0.4
161.04539	3.0
179.05621	15.8
193.53517	0.4
239.07738	0.9
248.26389	0.4
287.90488	0.4
385.53748	0.4
409.82101	0.4
455.20956	0.4
495.30209	0.9
513.25995	0.7
555.26294	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	555.317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.6
58.00576	1.1
59.01379	42.7
60.16296	0.3
61.98817	1.4
64.38758	0.3
68.50813	0.3
69.03462	0.4
69.17499	3.6
71.01382	29.0
72.99290	1.0
73.02943	7.7
73.24552	0.3
75.00854	0.5
81.03448	0.6
83.01389	3.7
85.02949	16.0
87.00854	0.9
89.02446	11.7
89.03014	0.6
95.01397	2.0
97.02931	0.6
98.20102	1.5
99.00889	3.8
99.04510	3.2
101.02439	26.5
111.00868	0.5
113.02452	14.0
119.03496	4.4
121.02917	0.7
125.02396	0.7
129.01924	0.7
131.03523	0.4
143.03465	1.5
159.02994	2.7
161.04546	11.9
161.05893	0.7
179.05589	1.8
214.65512	0.4
233.18533	0.3
271.20569	1.5
313.92059	0.4
315.23227	0.6
327.94974	0.4
333.24280	4.2
383.22250	1.1
455.20523	0.5
495.29614	100.0
496.29926	5.9
511.25781	0.5
519.25616	0.4
537.24866	0.7
555.26099	9.4
556.26349	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96730	0.2
55.01875	0.3
57.03453	0.6
59.01380	100.0
60.01713	0.3
61.98837	1.5
71.01382	5.2
71.53413	0.3
73.02945	2.2
73.03311	0.2
74.99100	0.3
82.40556	0.2
83.01385	0.9
83.49242	0.1
85.02958	2.6
87.00896	0.2
89.02464	0.6
95.01402	0.4
97.03008	0.2
99.00881	1.0
99.04501	0.8
99.42682	0.2
101.02445	4.9
113.02448	2.5
120.99673	0.6
121.02990	0.4
129.05614	0.2
135.04524	0.2
136.99188	0.3
143.03477	0.4
159.03043	0.8
159.04312	0.1
161.04552	5.7
161.05891	0.3
279.43726	0.2
315.23248	0.2
472.18097	0.2
477.29150	0.2
495.29636	10.2
496.30664	0.5
513.21460	0.2
525.35693	0.2
555.26642	1.9
556.26404	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.296
Annotation	(-)-Euphomine
Peak:m/z	Relative Intensity
53.25598	0.1
55.77347	0.1
59.01378	51.1
59.30344	0.1
59.40849	0.1
60.01711	0.2
61.98819	0.5
66.45625	0.1
70.02401	0.1
71.04010	0.1
71.53668	0.2
78.40418	0.1
80.96514	0.2
85.02950	100.0
86.03291	0.7
120.08382	0.1
157.08685	0.1
165.29337	0.1
341.70172	0.1
352.68527	0.1
394.22559	0.2
427.24542	0.5
495.27509	16.2
496.27945	0.9
513.28540	10.4
514.28186	0.5
555.29114	1.7
556.29083	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77271	0.2
56.10877	0.2
57.03450	1.9
58.00602	0.9
59.01381	41.8
60.01704	0.3
61.98829	2.1
69.03452	0.3
69.16979	2.5
71.01382	30.1
72.99300	1.4
73.02946	9.1
75.00890	0.9
80.53749	0.2
81.03443	0.3
83.01385	5.1
83.05051	0.3
85.02950	14.2
87.00895	1.9
89.02447	12.4
90.18478	0.2
95.01390	2.6
96.96027	0.3
97.02961	0.7
97.06612	0.2
99.00885	3.9
99.04520	3.8
101.02444	26.0
105.64198	0.2
111.00922	0.4
113.02452	14.1
116.92776	0.3
119.03500	4.8
121.02946	0.8
125.02460	0.9
129.01924	0.5
131.03500	0.3
137.02469	0.5
143.03529	1.4
149.04510	0.4
159.02986	2.7
159.08124	0.3
161.04558	12.0
172.89714	0.2
179.05617	1.5
191.03645	0.3
199.11241	0.3
205.03537	0.3
213.09256	0.3
215.10786	0.3
241.28394	0.3
271.20642	2.4
295.15524	0.7
301.19913	0.3
315.23376	0.9
333.20670	0.2
333.24283	5.3
383.22406	1.4
425.23135	0.3
427.20883	0.3
455.20718	0.4
473.21649	0.3
495.29626	100.0
496.29953	4.8
511.25610	0.4
513.25220	0.4
537.24835	1.8
555.25952	14.8
556.26703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75379	0.4
51.31296	0.5
59.01377	20.5
60.01717	1.5
61.98829	100.0
71.01380	4.6
71.54101	0.8
73.02949	2.2
83.01404	0.8
85.02963	2.1
89.02458	1.4
91.01894	16.5
91.02431	1.1
96.95998	1.2
99.04466	0.6
101.02463	2.9
108.02177	1.1
109.02963	8.6
113.02463	1.5
115.04002	1.3
119.03535	0.7
121.02951	0.9
133.02994	0.7
135.00880	51.7
136.01675	0.6
137.02469	1.9
149.02444	0.7
153.01933	38.9
161.04527	1.1
178.75444	0.6
189.01952	0.8
209.79657	0.8
213.24493	0.6
243.06528	0.8
279.05096	1.1
333.20184	0.5
339.07175	64.1
340.07620	1.9
491.17905	0.6
493.28882	0.6
495.29846	1.0
512.29364	1.0
554.23779	0.8
555.28320	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84353	0.4
53.95977	0.4
59.01381	22.6
61.98828	0.8
63.83568	0.5
68.99570	22.3
78.95905	15.1
85.02950	0.8
87.00878	0.5
98.20139	2.7
112.97762	1.1
112.98564	23.5
113.39181	0.4
113.98911	1.8
123.70036	0.4
124.47501	0.5
152.99625	2.2
168.04337	2.5
204.07533	0.5
224.06932	7.3
242.07938	1.6
255.23288	100.0
256.23621	2.4
462.86197	0.5
480.30927	65.9
481.31107	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	554.115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	23.3
59.65937	0.5
60.01708	1.3
61.98830	100.0
62.65308	0.7
69.03461	6.3
71.01379	5.2
71.54218	0.8
73.02956	0.6
79.01881	3.4
83.05074	0.7
85.02955	1.7
89.02451	6.8
95.01391	1.7
97.02951	3.5
99.04520	2.5
101.02452	2.8
107.01375	8.3
108.02175	14.3
111.04530	0.8
113.02464	1.4
119.03498	2.4
123.00877	1.6
125.02435	6.7
135.00883	31.6
143.03458	0.7
148.70131	0.5
151.00325	1.6
152.01151	50.8
152.55147	0.6
153.01480	0.9
154.80324	0.6
161.04543	1.3
179.05637	3.5
179.24809	0.6
242.06107	1.2
243.06601	79.5
244.06952	1.6
245.11815	1.1
387.10886	1.8
493.28305	0.7
518.24896	4.6
537.25598	0.8
554.24719	3.0
555.25879	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	553.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
61.98843	1.0
69.03462	8.3
69.79271	2.9
71.01405	0.8
71.05003	2.1
80.71125	0.6
81.03467	0.7
88.81470	0.6
97.02941	0.8
97.06603	0.7
98.20599	1.2
123.08163	2.2
125.09699	3.3
128.31183	0.7
137.09688	0.7
149.09680	1.3
151.11281	6.2
153.12889	1.7
161.09727	10.3
179.10774	30.0
197.11827	84.4
198.12166	1.8
223.09763	4.0
237.22267	1.0
241.10814	12.8
255.23282	81.3
256.23615	2.7
287.17090	0.7
297.13467	8.8
306.70660	0.6
315.14481	14.1
486.62631	0.7
512.91748	0.7
553.37445	100.0
554.37775	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	553.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71134	0.4
57.03461	0.7
58.00598	1.1
59.01381	100.0
59.91508	0.4
60.01706	0.4
61.98828	3.2
69.27129	3.4
71.01384	24.7
72.99316	1.3
73.02953	1.4
76.07409	0.4
83.01405	1.3
85.02947	4.2
87.00887	1.9
87.80069	0.3
89.02448	41.0
95.01408	1.1
99.04546	1.6
100.25103	0.3
101.02444	12.3
113.02450	11.0
113.29445	0.3
119.03504	15.3
121.02980	1.0
124.41393	0.4
125.02473	0.6
131.03503	2.0
143.03506	3.8
149.04582	1.8
161.04559	6.4
171.04671	0.4
179.05614	24.9
192.88361	0.4
199.07651	0.8
239.08012	0.5
252.05307	0.4
362.42374	0.4
474.83035	0.4
493.28333	1.5
511.28638	0.5
514.30872	0.5
553.23755	2.8
571.74097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08268	0.6
55.01866	2.8
57.03436	2.2
58.00595	1.6
59.01380	48.4
61.98831	17.6
71.01379	34.5
72.99297	2.8
73.02947	10.9
75.00874	1.0
76.23074	0.7
83.01379	4.3
83.05006	0.9
85.02950	14.5
87.00858	2.6
89.02442	17.1
95.01379	2.1
96.96009	2.4
97.02947	1.2
99.00852	3.4
99.04513	2.3
101.01798	1.5
101.02444	24.7
111.04485	0.7
113.02446	15.3
117.09015	0.6
119.03484	5.9
121.02924	3.2
125.02445	0.9
129.01903	1.0
131.03448	1.0
131.63298	0.7
143.03485	1.6
159.02957	2.8
161.04568	14.1
165.05464	0.9
179.05536	2.3
179.06999	1.1
242.02834	1.6
265.09448	1.2
267.13702	0.7
269.19116	3.1
331.19077	1.0
331.22720	6.3
493.28052	100.0
494.28418	5.9
553.25568	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	553.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08268	0.6
55.01866	2.8
57.03436	2.2
58.00595	1.6
59.01380	48.4
61.98831	17.6
71.01379	34.5
72.99297	2.8
73.02947	10.9
75.00874	1.0
76.23074	0.7
83.01379	4.3
83.05006	0.9
85.02950	14.5
87.00858	2.6
89.02442	17.1
95.01379	2.1
96.96009	2.4
97.02947	1.2
99.00852	3.4
99.04513	2.3
101.01798	1.5
101.02444	24.7
111.04485	0.7
113.02446	15.3
117.09015	0.6
119.03484	5.9
121.02924	3.2
125.02445	0.9
129.01903	1.0
131.03448	1.0
131.63298	0.7
143.03485	1.6
159.02957	2.8
161.04568	14.1
165.05464	0.9
179.05536	2.3
179.06999	1.1
242.02834	1.6
265.09448	1.2
267.13702	0.7
269.19116	3.1
331.19077	1.0
331.22720	6.3
493.28052	100.0
494.28418	5.9
553.25568	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	553.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
58.00588	0.6
59.01377	15.3
61.55898	0.4
71.01379	8.2
71.52248	0.5
85.02948	10.2
87.00887	1.0
89.02434	10.8
89.02944	0.8
95.01379	0.7
101.02441	6.9
103.04010	20.4
108.86039	0.4
113.02448	4.3
119.03495	5.0
120.99676	0.7
125.00945	0.9
125.02453	2.1
126.98864	1.1
127.02517	0.6
131.03548	0.5
132.43147	0.5
134.03641	0.4
143.02005	4.8
145.05098	0.8
153.00450	0.7
159.01529	1.0
161.04692	0.5
167.02023	0.6
168.99976	0.6
169.03630	0.6
171.01505	0.9
179.05540	0.6
185.03027	2.1
228.14662	0.5
265.09268	100.0
266.09607	1.8
287.06183	19.9
288.06442	0.8
305.07077	0.6
347.08337	0.8
373.09818	1.3
535.15546	0.7
553.16473	15.1
554.16333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51737	0.5
54.43776	0.5
56.30586	0.5
56.54577	0.5
59.01379	14.8
61.98817	1.4
68.99579	2.7
71.01353	3.1
71.53790	0.9
71.65791	0.5
73.02953	0.9
84.14674	0.5
87.00847	0.8
89.02427	2.3
101.02436	2.2
112.98565	3.6
113.02452	1.2
119.03473	0.8
121.02915	1.1
131.98444	0.6
161.04576	1.4
168.95410	0.5
169.74756	0.6
235.08272	2.8
253.09258	13.3
255.23276	100.0
256.23569	3.8
491.32590	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.8
59.01379	24.1
59.70794	0.7
60.99057	0.8
60.99309	11.4
61.80975	0.8
61.98824	2.1
70.36952	2.7
71.01388	8.1
73.02942	3.6
74.99095	1.1
83.01369	2.4
85.02953	7.2
87.00829	1.0
87.04484	0.9
88.98806	63.6
89.02444	4.8
89.14198	0.8
95.13279	1.0
98.14777	0.8
98.19910	1.0
99.00888	0.9
101.02429	6.8
101.06042	1.0
103.03996	6.5
107.01363	1.2
108.02192	1.0
109.02935	1.2
111.00856	1.1
113.02442	3.8
121.02939	1.8
125.02393	1.1
129.01944	1.1
151.00395	7.8
163.00403	1.7
164.01106	0.9
178.99893	2.9
243.03015	4.8
254.02066	1.6
255.02948	14.6
265.09271	4.0
271.02472	35.4
272.02823	1.0
299.02008	1.0
300.02753	67.1
301.03500	32.1
307.10272	3.6
327.71179	1.0
449.27393	2.0
463.08807	100.0
464.08948	4.2
493.22858	0.9
493.29620	1.5
553.15338	1.2
553.28644	19.2
577.40723	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56992	0.4
59.01379	13.0
60.57444	0.5
61.98814	0.7
66.55349	0.4
67.31000	0.4
67.94170	0.4
71.01386	2.8
71.53555	0.7
72.36726	0.4
73.02956	0.8
73.86992	0.5
74.44129	0.4
83.01396	0.6
83.25414	0.4
85.02937	0.7
89.02463	2.8
101.02443	3.8
113.02451	1.3
113.66322	0.5
121.02919	0.8
131.03517	0.5
161.04550	1.6
179.05626	0.7
198.24860	0.5
216.38239	0.5
221.55991	0.4
235.08171	2.7
253.09270	15.7
255.23285	100.0
256.23547	2.8
491.32455	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3086
Annotation	Capisterone B
Peak:m/z	Relative Intensity
53.34370	0.4
55.01870	1.0
56.34706	0.4
57.03442	8.3
58.00578	1.0
59.01378	50.2
60.01708	0.6
61.98829	11.6
69.34700	3.4
71.01376	16.3
71.05011	0.6
71.40929	0.5
72.99293	1.2
73.02943	6.3
75.00864	1.3
83.01379	2.5
85.02950	7.1
86.37236	0.4
87.00867	1.3
89.02448	8.4
93.03426	0.4
95.01380	1.8
95.05031	0.5
96.95998	0.8
97.06551	0.6
99.00880	2.4
99.04519	1.6
101.02440	11.5
103.04004	1.5
104.39008	0.5
108.02177	0.6
109.02947	0.6
111.00936	0.5
113.02443	6.5
119.03520	2.7
121.02935	0.5
123.04412	0.5
125.02451	1.0
132.26826	0.5
135.04547	0.7
143.03529	0.7
152.01151	0.6
161.04558	1.4
165.12801	0.5
177.36107	0.4
181.15918	0.8
182.09836	0.5
183.13852	0.9
195.17551	2.9
257.21045	0.7
263.23660	0.7
265.21631	1.2
285.20688	1.1
291.23495	1.2
293.21182	2.1
303.21744	2.1
309.24344	9.3
311.22244	20.5
312.22672	0.9
327.25327	1.1
329.23331	4.6
353.23318	0.9
371.24234	4.8
371.28229	0.5
379.20667	0.5
389.25278	2.5
390.19653	0.8
391.20398	1.4
433.21262	0.7
447.26227	2.7
465.26935	8.0
473.20786	1.0
475.22446	1.0
489.30753	2.8
491.22040	1.1
491.28354	8.8
507.28085	35.6
508.28320	2.3
509.22882	4.5
533.29669	0.7
551.30615	100.0
552.31116	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	551.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	10.3
59.01379	82.1
61.53709	1.2
61.98829	14.5
70.56496	4.4
71.01380	24.5
71.04990	1.2
72.99307	3.1
73.02932	7.4
75.00876	1.8
76.26700	1.2
78.95925	1.5
83.01414	3.6
83.05009	2.9
85.02950	13.4
86.00105	1.3
87.00890	3.6
87.04533	1.7
88.98811	2.7
89.02447	9.4
96.96030	1.7
99.00880	3.7
99.04527	1.4
101.02453	14.9
103.04012	4.1
110.80000	1.2
111.00906	1.4
111.04510	1.2
113.02455	8.5
119.03512	3.8
119.05029	1.3
121.02967	1.5
125.02423	1.3
130.77127	1.2
149.09717	3.2
152.01140	1.5
161.04564	2.2
170.36061	1.4
181.16058	1.2
185.15443	1.1
257.21204	1.4
273.20865	1.4
279.16068	2.0
285.20615	2.5
303.21777	4.9
309.24487	5.6
311.22321	12.5
327.21707	2.3
327.25375	2.2
329.23282	7.9
353.23660	1.9
371.24570	1.4
375.18323	1.5
447.27487	81.0
448.27933	4.0
465.27069	16.1
489.30978	1.5
491.22147	2.4
491.27847	6.8
507.28058	92.8
508.28745	3.4
551.30579	100.0
552.30634	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	551.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03450	19.9
58.00586	1.0
59.01378	70.2
60.02732	0.7
61.98827	26.7
69.55776	1.6
69.56190	2.7
71.01379	29.6
72.99314	2.3
73.02946	16.7
74.99091	1.3
81.03485	0.9
83.01400	5.7
85.02950	23.4
87.00904	2.9
87.04520	3.2
89.02441	19.1
95.05015	0.9
99.00885	1.4
99.04518	17.1
101.02440	25.6
103.04008	37.5
103.48365	0.6
111.08165	1.9
113.02460	10.8
116.92844	1.1
119.03513	7.3
120.40666	0.7
121.02998	0.8
123.04517	0.7
125.02441	7.1
131.03535	2.0
134.03751	2.2
136.99146	2.5
137.09720	1.8
142.19902	0.7
143.03476	1.7
145.05061	1.2
149.04466	0.9
150.03252	1.4
155.10780	3.3
159.02852	0.8
161.04530	2.9
163.04045	1.2
164.04709	1.0
165.05583	1.6
175.04001	1.3
177.05467	0.9
178.02716	1.0
179.05569	2.1
179.07047	0.9
180.04228	1.0
189.05611	0.9
190.06314	1.8
193.05128	3.3
205.08759	1.4
242.39488	0.7
243.16039	2.3
245.17569	1.7
247.08275	3.8
265.09277	16.8
285.61734	0.8
303.14862	0.9
303.18112	3.4
307.10333	32.1
308.10843	1.2
341.98874	0.8
347.14996	2.0
359.14996	5.8
389.12396	2.0
389.21857	2.0
407.22998	8.5
449.24228	4.9
489.27454	1.0
507.24445	2.9
541.62439	0.9
551.27130	100.0
552.27789	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	551.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.03452	1.8
59.01379	99.6
61.98831	6.8
69.36286	3.3
69.36718	3.5
70.36701	0.9
71.01383	18.4
72.99303	2.5
73.02946	7.1
75.00873	15.2
83.01399	2.9
83.05003	1.2
85.02955	9.8
87.00900	1.5
88.98809	1.5
89.02447	5.6
95.01447	1.6
96.96041	1.0
99.00920	1.6
101.02446	14.1
103.04018	2.0
113.02434	7.9
119.03513	2.0
119.05010	1.2
129.02011	1.0
143.03589	1.0
147.04539	1.3
159.03017	1.9
161.04596	2.8
171.10323	1.2
194.09111	1.0
238.95322	0.9
241.13319	1.2
243.19687	2.0
247.96515	1.0
265.09238	2.0
299.12234	1.0
303.13406	2.0
303.21805	1.4
329.23578	2.7
345.14774	1.0
353.23373	0.9
387.24155	1.6
389.25595	3.3
394.16248	1.0
405.24887	2.0
447.26324	3.7
465.27026	4.8
489.27145	3.6
491.32431	2.0
507.28030	100.0
508.28369	5.0
509.23779	2.3
551.22430	3.6
551.30865	35.2
552.31079	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39917	1.0
57.03454	1.2
59.01376	4.7
61.98827	1.3
69.44508	3.6
69.44932	4.0
71.01389	2.9
78.85834	0.9
83.01385	1.3
85.02956	1.8
87.00871	2.4
89.02445	2.1
93.03430	1.6
95.01376	1.2
96.96008	1.0
98.50481	1.1
101.02447	1.3
102.94682	0.9
104.15088	1.0
104.75188	1.0
111.00861	1.2
113.02447	2.1
115.48446	1.0
119.05016	2.1
121.02950	7.3
122.03735	5.5
123.04500	7.1
131.04921	1.1
132.02164	1.5
133.02914	2.9
134.03741	93.0
135.04572	5.6
136.01686	1.8
136.99142	1.0
137.02454	9.9
139.04019	2.8
147.04510	2.9
148.05293	3.8
149.02448	16.1
149.06062	24.8
150.03221	40.1
151.04015	24.1
160.01692	2.3
162.03185	2.6
164.04779	2.8
165.04195	1.5
165.05559	39.9
175.04021	4.9
176.04773	3.1
177.05539	4.5
178.02710	41.3
180.04294	2.0
181.05063	18.9
184.04398	1.0
191.07149	4.1
192.04245	3.5
193.05045	96.8
194.05371	2.3
195.06581	12.1
204.04225	1.2
207.06606	3.1
217.04996	1.9
223.05991	1.2
232.03416	1.1
235.06084	14.7
239.07065	1.2
247.06039	3.1
251.05588	12.6
253.06009	1.6
282.09167	6.3
289.07413	1.3
291.05026	5.2
297.11270	2.4
307.08270	1.8
341.10291	14.7
351.07184	8.3
383.11414	2.5
389.12411	100.0
390.12717	4.2
431.13202	3.9
513.12427	8.4
515.12726	1.4
551.10046	2.8
551.17670	32.6
551.26147	2.0
575.21490	0.9
579.13776	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.177
Annotation	Prinsepiol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.09679	0.9
59.01373	3.9
61.98833	1.2
69.64899	5.0
71.01385	1.7
75.21413	0.8
77.78245	0.7
81.05463	0.8
85.02981	1.0
89.02419	1.1
93.03465	1.9
98.54083	0.8
101.02427	2.1
103.04007	1.0
109.02995	1.0
113.02428	2.2
117.03537	0.9
117.04676	0.8
119.03516	0.9
119.05006	1.6
121.02955	4.8
122.03728	6.8
123.04535	6.8
125.02460	0.9
127.14567	0.8
132.02106	1.1
133.02972	4.0
134.03749	82.9
135.04501	1.5
136.01649	3.1
137.02460	9.5
139.04015	2.8
147.04482	2.7
148.05257	1.1
149.02460	10.1
149.06090	21.0
150.03232	52.1
151.04015	26.8
153.05594	1.0
160.01642	2.1
164.04788	3.6
165.05573	60.6
173.04347	0.7
175.03931	4.7
176.04788	3.4
177.87428	0.7
178.02702	40.9
180.04294	4.9
181.05070	15.7
191.07150	3.4
192.04268	3.5
193.05049	100.0
194.05409	1.9
195.06610	21.1
207.06520	1.2
217.05011	1.6
235.06084	15.7
236.06479	1.0
282.08963	1.8
297.11316	1.7
298.08597	0.8
310.27612	0.9
341.10260	2.6
355.10364	1.1
383.11176	1.2
389.12396	80.1
390.12729	3.4
431.13345	2.7
441.60364	1.0
482.11444	0.8
551.17682	40.1
551.25262	1.5
552.18561	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	551.1769
Annotation	Methylgrandifloroside
Peak:m/z	Relative Intensity
50.35168	0.5
53.29026	0.5
59.01372	0.7
59.80289	0.6
61.98840	0.5
64.28820	0.4
64.93491	0.4
69.37047	3.8
71.01374	0.7
72.54745	0.5
85.02928	0.6
93.03448	1.2
113.02480	0.6
117.03414	0.7
121.02950	6.0
122.03737	3.5
123.04550	0.9
131.63229	0.5
133.02957	2.0
134.03738	46.2
135.04503	0.8
136.01721	1.0
136.91986	0.5
137.02440	5.4
139.03995	2.1
147.04463	0.7
149.02434	10.4
149.06070	13.7
150.03223	30.2
151.04004	2.6
164.04784	2.6
165.01913	1.2
165.05557	38.2
175.04013	0.6
176.04764	0.5
178.02705	26.5
180.04288	3.0
181.05067	1.8
191.07011	0.5
193.05045	100.0
194.05408	1.6
195.06610	22.5
196.06932	0.8
221.06174	0.6
235.05969	1.1
239.07166	1.2
250.06300	2.0
267.06583	1.4
282.08920	6.2
297.11423	1.0
326.08075	0.6
341.10263	23.2
342.10638	1.1
371.11670	0.6
377.12045	0.5
389.12396	28.8
390.12637	1.5
398.95859	0.6
446.47757	0.5
551.17517	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	550.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88828	0.3
59.01379	1.0
61.98829	100.0
70.82124	0.7
70.82465	0.3
89.08159	0.3
103.96758	0.3
121.02953	7.4
122.03279	2.2
125.09697	0.3
147.04550	1.3
162.93405	0.3
302.72681	0.3
389.09995	0.3
426.46750	0.4
542.18219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55826	0.8
59.01382	22.7
61.98831	14.7
71.05026	5.2
71.52316	1.1
73.02969	1.2
78.58426	0.9
81.81966	0.9
85.01398	0.8
85.02956	2.0
85.06632	0.8
87.04510	4.2
121.02959	5.2
126.38478	0.8
216.46069	1.1
283.56351	0.9
353.28464	1.7
369.27744	6.2
376.33728	1.0
381.27823	2.7
383.29434	2.2
393.27924	1.2
399.29071	7.6
405.31430	1.4
413.30719	2.0
423.32715	11.1
429.30069	16.6
431.31705	2.3
489.35834	100.0
490.36386	5.3
549.25317	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	549.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
57.03445	1.7
59.01379	100.0
60.01717	1.0
61.01795	0.4
61.98829	7.7
65.31034	0.3
66.82667	0.3
71.01382	15.0
72.01723	0.5
72.99304	0.5
73.02948	4.8
83.01382	2.0
85.02950	8.0
87.00896	0.9
87.04643	0.2
89.02444	2.4
95.01401	1.7
97.02953	0.7
98.20606	0.6
99.00894	1.4
99.04527	1.0
101.02444	6.6
102.67492	0.3
113.02449	9.9
114.02881	0.4
119.03521	1.1
121.02965	0.5
125.02460	1.1
143.03517	1.9
143.10799	0.7
159.03075	0.5
161.04530	3.9
161.67619	0.3
197.15471	0.3
271.02594	0.3
272.11652	1.3
272.61774	0.6
283.22699	0.3
299.26093	0.9
300.02826	0.6
345.30032	5.5
346.45203	0.3
387.31430	0.3
401.26349	0.4
445.25674	0.4
454.60065	0.3
489.34259	34.1
490.34753	1.8
505.10425	0.4
505.26718	1.1
507.35361	15.6
508.36063	0.9
549.25665	1.2
549.33203	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	549.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89791	0.1
55.01874	1.0
57.03447	1.3
58.00591	0.4
59.01379	100.0
60.01714	0.6
69.03457	0.5
71.01382	13.7
72.99317	0.3
73.02946	3.3
83.01385	1.9
85.02948	8.2
85.06587	0.3
86.00103	0.2
87.00892	0.5
89.02441	3.1
95.01382	1.8
97.02960	0.4
99.00869	1.6
101.02444	6.5
111.00882	0.3
113.02448	10.5
115.04013	0.2
119.03503	0.7
124.01672	0.4
125.02451	0.6
129.08400	0.1
143.03485	2.2
143.10788	0.3
152.56960	0.1
159.02911	0.7
161.04546	5.1
179.05621	0.2
186.50409	0.1
192.36847	0.1
197.15440	0.7
223.20612	0.4
230.46404	0.2
281.25000	0.1
283.22647	0.4
299.25955	1.2
311.25613	0.2
327.28952	0.4
345.30084	6.3
346.30429	0.3
387.31314	0.2
397.69098	0.2
415.30353	0.3
441.32025	0.3
453.32199	0.3
459.33160	0.4
489.34311	38.0
490.34714	2.4
507.35342	17.1
508.35754	0.9
549.36627	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	549.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92401	0.1
54.05616	0.1
56.18783	0.2
57.03446	1.4
59.01378	3.8
61.98814	0.6
69.03457	0.2
71.01375	1.5
71.54088	0.2
73.02953	0.8
74.80595	0.1
78.95909	1.3
79.72794	0.2
79.95748	2.4
83.01418	0.2
85.02962	1.5
87.00883	0.5
88.98805	0.6
89.02449	1.1
94.98067	0.2
96.96011	100.0
98.95617	0.2
99.04523	1.5
99.92603	0.4
101.02436	1.3
103.04034	0.9
110.89849	0.2
113.02473	1.0
115.92076	0.4
116.92874	0.8
119.03529	0.4
123.04536	0.3
125.02454	0.6
129.01938	0.3
134.03642	0.2
145.09834	0.2
147.02994	0.3
161.04561	0.4
179.05711	0.3
191.01968	0.4
209.03058	0.4
241.04985	0.2
256.07437	0.2
265.09280	0.5
271.02438	0.2
297.04095	0.5
297.08115	0.2
300.02725	0.3
300.06281	0.2
301.16605	0.3
312.06427	0.2
315.08762	0.9
327.08731	1.2
347.13562	0.2
387.20129	0.5
405.21301	0.5
447.22366	0.2
506.09045	0.2
517.14648	0.3
531.24542	0.2
549.25452	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92079	0.6
55.01875	1.1
56.55064	0.5
57.03450	12.2
58.00597	1.0
59.01379	37.6
61.98826	3.1
64.52691	0.7
69.03474	1.3
69.56313	4.0
71.01385	13.3
71.05005	1.6
72.99292	2.5
73.02940	7.9
75.00847	0.7
78.01065	0.6
81.03480	0.6
83.01382	3.0
83.05029	2.1
85.02950	8.1
85.06584	0.9
86.00110	0.6
87.00851	1.2
88.98791	1.1
89.02433	8.8
93.03461	1.0
95.01385	1.3
95.05061	0.7
97.02934	0.8
97.06565	1.0
98.19904	1.3
98.20496	1.7
99.00899	1.5
99.04512	1.1
100.93153	0.6
101.02446	10.1
103.03992	3.5
109.02950	0.9
111.04517	5.1
113.02458	5.2
113.79485	0.6
115.23690	0.6
119.03487	3.1
119.05013	0.8
120.86009	0.5
121.02959	0.8
121.06596	1.0
123.04552	1.2
125.02454	0.8
125.06085	0.8
137.06050	0.9
139.03999	0.6
141.05531	0.7
143.60851	0.6
161.04643	1.0
165.05577	0.8
167.14421	1.5
167.23634	0.6
189.72682	0.7
209.19014	1.3
235.17012	0.8
239.16621	1.1
241.14420	3.8
263.19916	0.7
265.09222	1.8
265.18076	0.6
271.02441	1.3
279.23318	2.2
283.15573	1.1
289.21744	1.1
300.02682	2.7
301.03497	1.4
301.16519	3.3
301.20071	1.9
305.21155	2.7
307.22592	3.1
325.23810	16.8
333.20587	1.7
343.24780	1.2
351.21811	7.0
369.22760	3.9
405.50381	0.6
445.24173	2.2
463.25681	4.4
489.21033	1.0
505.10028	2.0
505.26331	32.4
506.26599	1.0
507.21445	1.0
531.28717	3.7
549.29620	100.0
550.29980	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	549.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
61.66777	0.2
61.98827	1.0
69.10245	0.3
75.00864	0.5
93.03505	0.3
97.06609	0.6
98.20093	2.0
98.20774	0.6
109.10427	0.2
121.02959	100.0
122.03289	1.2
134.31613	0.3
150.28830	0.3
166.26683	0.3
229.37956	0.3
252.57814	0.3
253.21893	0.4
306.39560	0.3
373.27518	1.1
431.30807	0.5
533.20001	0.3
549.28595	12.8
550.28754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	22.8
58.48919	1.4
59.01378	100.0
61.98832	10.4
69.03439	1.5
71.01379	31.5
72.99294	4.1
73.02940	21.8
75.00830	2.5
76.04733	1.5
81.03468	4.1
83.01373	7.6
83.05022	4.8
85.02936	24.0
87.00867	4.6
87.04524	2.3
88.98792	2.4
89.02446	22.5
91.84436	1.5
93.03423	1.8
95.01402	2.3
96.96017	3.2
97.02953	1.9
99.00874	1.8
99.04506	14.7
101.02441	27.4
103.04012	25.8
110.11756	1.5
113.02470	10.6
116.92852	3.5
119.03497	7.1
119.04953	2.0
123.04520	2.5
125.02455	9.4
125.09738	2.7
129.01984	1.8
129.05602	2.2
131.03447	1.8
137.06123	1.9
137.09741	2.1
143.03484	3.1
149.06169	1.8
151.04083	1.7
157.08743	2.0
161.04547	3.6
179.05557	2.5
199.09767	1.8
239.12743	2.1
243.02928	1.7
243.15973	2.3
247.08163	2.4
255.02977	1.8
257.17331	1.5
265.09235	24.5
271.02423	4.4
283.15588	1.7
300.02682	11.2
301.03476	6.4
301.16507	3.9
301.55350	1.7
305.64584	1.7
307.10388	22.7
325.16611	2.0
345.13315	2.4
360.12094	1.8
369.22876	3.0
387.19901	2.5
405.21283	14.1
447.22247	5.1
487.24661	2.0
505.10019	13.5
505.27371	9.0
507.22058	2.2
531.22534	2.7
549.28479	67.8
550.31592	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	549.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02377	0.5
57.03343	1.7
59.01271	37.4
61.98723	3.9
61.99074	1.2
71.01263	4.6
71.01696	0.8
71.53917	0.7
72.03786	0.5
72.99191	6.1
72.99637	1.1
73.02827	5.1
81.03352	1.6
81.03788	0.7
83.01263	1.9
83.01711	0.5
83.04886	2.0
83.05354	0.7
85.02814	2.9
87.00749	26.8
87.01342	3.0
89.02307	1.7
89.02814	0.5
89.44793	0.6
93.03342	0.8
95.04923	0.8
99.00826	0.7
99.04385	1.2
101.02297	4.7
102.74192	0.5
103.03900	1.3
111.04434	0.7
113.02290	2.2
114.09290	0.6
115.03941	0.7
119.05832	0.5
121.02814	1.9
125.02274	0.7
147.08037	0.7
149.09537	1.2
161.04485	0.8
161.09656	0.6
167.03310	0.7
183.63710	0.6
185.11722	0.8
215.10724	0.8
243.16071	0.8
257.12750	1.6
263.87057	0.6
264.87515	0.5
271.02448	0.8
277.14243	2.3
278.15228	5.6
283.16232	0.6
283.19110	9.5
300.02551	0.9
301.11829	1.1
327.21606	2.2
345.15778	0.9
366.86533	0.7
387.23785	1.9
397.23904	0.9
405.21390	4.7
415.25000	1.4
427.24933	5.8
429.22787	1.4
445.25928	100.0
446.26230	5.0
447.22803	2.1
475.23242	2.4
487.25735	1.1
489.24927	7.4
505.10056	1.0
505.26514	12.4
507.25949	2.2
517.23718	1.9
549.26941	20.8
550.27417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	9.0
58.00602	0.9
59.01379	62.4
61.98832	5.1
67.63074	0.7
71.01017	1.2
71.01382	18.6
71.05002	1.2
71.25397	1.7
72.99274	2.4
73.02562	1.3
73.02946	20.5
75.00844	0.9
75.05197	0.7
81.03477	0.7
83.01386	4.3
83.04991	1.0
85.02465	0.9
85.02951	17.7
87.00861	1.4
87.04519	1.2
88.98774	1.4
89.01956	0.8
89.02448	8.3
90.98569	1.3
92.98188	0.8
95.01347	1.0
96.95987	1.5
97.02916	1.6
97.06584	2.0
99.00858	1.3
99.04520	10.5
101.02443	13.2
103.04013	21.7
107.04974	0.9
109.02931	1.5
113.02448	7.0
113.06046	3.1
119.03453	3.8
121.02956	1.0
121.04566	0.7
123.04533	1.9
125.02422	1.2
133.98164	0.8
134.03677	1.3
137.09665	1.0
141.05502	3.1
143.03479	1.0
146.03642	0.8
147.04514	4.3
158.03752	0.9
161.04488	2.7
161.06000	0.9
164.04724	3.3
173.06032	1.3
175.07581	0.9
177.05588	4.2
183.67288	0.9
201.11200	2.4
203.95602	0.8
225.14911	7.9
227.12805	1.0
239.16415	2.5
241.14456	4.4
255.02930	0.8
265.09256	11.0
265.14224	1.2
267.06497	3.5
271.02170	2.3
282.08963	3.8
283.15256	1.8
283.18900	1.4
297.11307	7.6
298.12015	0.9
300.02924	3.6
301.03427	1.5
301.16541	11.9
301.19827	1.5
304.14066	0.8
307.10480	5.4
312.13562	1.1
313.14490	1.4
328.12979	2.6
343.15277	12.7
347.13516	1.6
363.19159	0.8
375.27692	0.8
387.14395	3.6
387.19138	0.8
403.19476	1.6
404.18326	0.9
405.21313	21.3
417.22525	2.1
429.22430	1.6
435.23871	1.0
445.22583	1.4
447.22241	9.6
463.21503	3.4
471.22797	0.7
486.20288	1.1
487.25140	3.4
489.23282	1.4
505.09488	3.1
505.26648	10.0
506.26364	0.8
531.24493	1.6
549.25293	100.0
550.25732	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	549.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
57.03451	83.1
59.01384	85.5
61.98825	6.8
63.04108	1.5
71.01381	40.4
71.53674	1.2
72.99284	3.8
73.02950	14.7
74.54322	1.4
75.00873	2.9
83.01377	7.5
85.02460	2.0
85.02954	27.9
87.00884	6.6
89.02446	18.6
95.01368	4.3
96.96017	6.4
98.83942	1.3
99.00870	4.5
99.04517	62.3
101.01800	2.9
101.02445	53.0
103.04002	7.4
111.00886	2.4
113.02461	19.1
115.92056	1.4
116.92863	1.9
119.03484	5.7
123.83043	1.3
125.02441	26.1
129.01936	2.4
131.03467	1.5
134.03749	2.1
135.04543	2.0
143.03482	6.0
149.02335	1.8
159.02998	2.8
161.04599	6.5
163.11270	3.7
175.02473	3.4
178.99777	1.5
179.03477	1.9
191.01942	2.3
193.05019	1.6
198.77098	1.5
207.14029	1.7
209.02985	8.2
243.16031	4.0
265.09192	4.4
288.95071	1.4
289.54578	1.6
307.10339	2.1
315.08688	1.7
327.08929	2.5
345.11008	1.5
357.09641	3.4
363.12549	1.6
369.09802	3.1
387.11057	2.0
387.20279	33.1
405.21286	100.0
406.21732	4.3
447.22461	19.2
487.25299	4.0
505.22733	2.1
517.14575	4.2
549.16498	5.3
549.25446	89.5
550.25708	4.5
560.27271	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	549.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.3
58.00577	0.9
59.01378	61.3
60.99276	1.1
61.98548	1.0
61.98830	12.8
69.54672	3.6
69.55083	1.0
71.01379	19.0
71.04992	1.2
72.99275	2.7
73.02946	34.9
74.01844	0.6
75.00825	1.5
83.01378	3.4
83.05004	1.2
85.02953	18.9
87.00867	3.4
87.04034	0.9
87.04515	13.2
88.98805	4.4
89.02448	6.3
94.13168	0.9
95.01365	1.1
95.05007	0.9
96.95975	1.6
97.02903	3.2
97.06536	1.0
99.00853	1.2
99.04479	2.3
101.02451	13.3
103.04011	23.6
113.02460	8.5
115.03191	0.6
115.03987	4.3
117.05549	1.4
119.03471	2.6
119.04980	1.1
125.02405	1.6
131.03532	0.8
131.75345	0.7
132.33247	0.8
135.04495	1.0
137.02339	0.8
143.03415	1.0
145.05009	1.1
149.02364	1.1
149.06094	1.1
151.00275	2.2
153.01730	0.7
161.04456	1.5
163.03871	0.9
165.05464	0.8
178.99779	0.8
181.12154	0.6
223.13258	1.4
227.12883	10.6
239.16370	2.3
241.14410	10.3
247.08049	1.8
265.09265	6.6
271.02252	2.9
282.08798	0.7
283.15454	2.5
283.18976	8.5
284.31540	0.7
293.13748	1.6
297.11093	2.0
300.02823	4.2
301.03452	4.8
301.16583	20.3
301.19992	2.5
321.09088	0.7
321.11893	6.9
343.17392	1.8
343.24442	0.7
369.22879	0.9
374.02954	0.8
403.19733	1.4
433.24258	1.6
445.26083	9.0
463.08453	0.8
463.25037	6.3
487.24289	2.1
489.23038	3.0
489.29373	1.3
505.10355	4.5
505.26556	42.4
506.26544	2.7
507.21573	0.9
549.25183	100.0
550.25342	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	549.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
56.42500	0.9
57.03441	2.8
57.10623	1.0
59.01381	100.0
61.98827	4.7
71.01380	19.5
72.99313	2.0
73.02946	22.4
81.03433	1.3
83.01380	7.1
83.05029	1.6
83.97205	1.0
85.02949	6.8
87.00892	2.4
88.98820	1.1
89.02463	4.7
93.03466	1.4
95.01395	1.1
97.02943	2.0
99.00887	2.9
99.04533	1.2
101.02446	15.6
103.04021	2.9
109.02963	1.3
113.02449	6.1
115.04037	1.5
119.03546	1.6
121.02988	2.2
125.02475	2.0
130.08752	1.3
131.03493	1.3
137.02444	2.2
137.09624	1.3
153.41718	0.9
161.04524	2.4
163.04027	2.4
167.42078	1.1
182.07552	1.0
185.11835	1.2
196.55553	1.0
216.92467	1.0
221.19023	1.7
243.12396	1.8
257.12943	2.8
265.09253	2.4
271.02301	1.6
271.25830	1.0
283.19147	39.2
301.11951	2.2
301.16693	1.4
301.20303	1.1
325.24060	1.5
327.21643	7.0
328.13086	2.6
329.13269	2.5
330.13843	5.0
343.15500	7.1
344.15869	10.8
345.16092	17.7
387.23740	4.9
405.21902	1.1
445.25568	2.4
459.16418	1.2
463.25470	2.4
465.24402	1.2
487.25732	2.1
489.21210	9.2
489.26727	2.0
505.10223	2.1
505.26596	59.0
506.26773	2.0
513.51190	1.2
549.29083	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	549.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.9
57.03437	3.3
59.01381	100.0
59.62177	1.3
61.98826	6.2
64.75224	1.8
65.03972	2.4
65.26563	1.4
69.03446	2.0
69.23434	13.2
71.01382	28.2
72.99308	11.8
73.02942	14.2
75.00877	3.5
79.05528	8.2
81.03467	1.5
83.01374	8.4
83.05032	4.8
84.02157	1.7
85.02966	12.2
87.00864	8.1
88.98837	1.4
89.02438	4.0
91.05525	2.1
93.03453	7.5
93.07111	1.6
95.05048	3.2
97.02961	2.6
97.06596	4.4
99.00880	44.0
99.01537	2.1
99.04499	4.0
101.02451	13.1
103.03996	2.5
105.07119	2.3
106.73082	1.3
107.04366	1.3
107.05047	4.8
109.02949	2.6
109.06569	1.7
111.04503	5.1
111.08163	2.1
113.02451	6.1
113.06122	1.4
119.05025	11.6
119.08657	3.1
121.02918	3.1
121.06606	10.7
123.04523	4.2
123.08103	1.4
125.06046	4.8
129.07159	2.9
130.04230	2.2
131.08716	1.6
133.06580	3.4
133.10234	7.8
133.60127	1.3
135.04533	7.4
135.08153	3.9
137.02451	2.5
137.09673	1.5
143.05002	1.5
145.06593	2.7
147.04495	3.2
147.08160	9.0
149.06046	3.4
149.09691	2.9
150.03073	2.3
151.07654	5.0
151.11295	1.5
154.26221	1.5
157.06577	2.2
157.10274	1.7
158.03723	3.3
159.04489	1.6
159.08145	5.8
161.04733	2.0
161.06076	7.9
161.09718	3.1
163.04021	8.0
163.07611	1.5
171.08125	2.8
171.11790	1.5
173.06120	3.2
173.09740	2.1
175.03932	1.5
175.07542	4.3
175.11220	1.7
177.09236	4.2
179.07088	1.4
185.06007	2.1
185.09703	2.4
186.06786	1.4
187.07622	8.0
187.11185	2.8
193.08725	2.1
199.07593	4.7
201.12868	3.8
203.07150	1.7
203.10754	1.6
205.08702	2.4
213.09251	3.7
215.07091	1.9
216.07823	1.3
217.04916	1.3
227.07132	1.5
229.12332	2.0
231.10359	1.6
247.13240	1.8
249.12842	1.6
269.15329	1.5
279.17432	2.5
283.22842	1.4
300.02649	2.4
307.16586	1.5
321.15100	1.7
333.20578	2.3
345.20575	3.3
359.18497	6.2
361.20438	1.6
369.19049	2.3
371.18594	2.8
373.20221	3.5
377.19766	15.1
381.20694	1.8
387.17996	3.8
387.23718	1.7
389.14621	2.9
389.19656	57.5
390.20129	1.8
391.21158	1.7
397.18713	2.6
401.19641	5.5
405.18976	2.8
407.20673	5.5
409.20172	2.3
415.21390	2.3
417.18909	2.9
419.20557	8.3
425.19669	3.9
427.21127	5.3
429.18979	3.8
431.20691	21.6
435.20032	1.7
441.19238	2.7
443.20532	5.2
445.18536	3.8
445.26382	6.9
447.20294	3.9
449.21713	10.3
453.19180	3.8
455.20898	1.5
459.20193	2.6
461.21698	2.0
463.26736	7.4
471.20291	22.0
473.21790	20.4
477.21149	2.5
487.19653	2.9
489.21106	24.1
490.21759	2.4
491.22952	2.1
505.09967	2.7
505.27042	49.4
507.22290	93.9
508.22577	5.4
513.21118	8.5
531.22089	3.0
549.23682	69.1
549.32605	36.5
550.24384	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	549.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.2
59.01377	24.4
61.98825	4.3
63.02390	0.7
65.00317	1.3
68.66505	0.5
69.43880	4.1
71.01382	10.2
72.99305	2.0
73.02942	5.0
74.99089	0.8
83.01379	2.6
83.05026	1.2
85.02952	7.9
85.06575	0.6
87.00871	1.7
87.04522	0.9
89.02446	5.3
91.01859	0.7
95.01389	0.7
96.96000	1.5
99.00883	0.8
99.04493	3.4
100.18925	0.6
101.02438	9.1
103.04013	4.1
107.01378	2.7
108.02179	1.7
109.02934	1.8
109.06582	0.7
113.02442	4.4
116.92847	1.1
119.03507	1.9
119.05022	0.8
120.99654	5.3
121.02985	3.1
123.04544	0.8
125.02425	2.6
129.01921	1.2
134.03658	0.9
135.00938	1.1
135.02896	0.6
135.04494	1.6
136.01732	2.7
137.02409	1.5
143.03526	0.8
147.03041	0.8
148.01649	1.6
151.00368	13.1
151.04025	5.0
161.02504	0.8
161.04594	1.4
161.05949	0.9
163.00385	3.1
163.03961	2.2
164.01132	0.9
165.05522	0.8
166.02719	3.3
178.99840	5.3
179.05632	0.9
179.07109	0.8
181.05067	4.4
187.03993	1.1
191.01898	0.7
199.03993	1.1
207.02928	1.6
211.04141	1.2
211.06110	1.4
215.03525	1.0
216.04309	0.9
226.02853	0.9
227.03450	3.6
229.05029	0.6
239.03468	0.9
243.02998	11.5
245.04498	1.2
254.02052	2.0
255.02983	26.5
256.03384	1.0
265.09402	3.4
271.02463	59.5
272.02979	2.4
273.03992	0.8
283.02423	1.7
283.15472	0.9
299.01953	2.5
300.02734	100.0
301.03500	45.9
301.06348	0.6
301.16556	2.1
302.04071	0.9
307.10199	0.9
345.13226	0.8
357.09723	1.2
387.10175	0.9
387.14536	13.2
405.21304	1.8
445.07709	2.3
445.24231	1.3
447.22345	0.8
463.08820	2.0
471.19089	0.6
489.27390	0.7
505.09860	77.1
506.10452	3.4
513.38623	0.7
548.30768	3.6
549.26227	12.7
549.28412	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	549.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39468	0.4
59.01373	0.9
63.02412	0.4
63.13305	0.3
64.18370	0.4
65.00316	1.3
69.33200	3.4
69.33583	0.5
83.01380	0.7
85.02965	0.4
93.03444	0.4
98.19859	0.7
101.19801	0.4
103.03975	0.4
107.01389	2.8
108.02135	1.9
109.02950	1.2
121.02965	2.1
135.00862	1.2
145.39355	0.4
148.01711	1.8
149.02420	0.7
151.00366	11.7
163.00352	2.8
164.01129	0.7
178.99878	5.0
187.04048	0.7
199.03922	0.5
201.02013	0.7
201.05504	0.4
203.03514	0.6
211.03979	1.6
215.03455	0.7
226.02739	0.8
227.03482	3.4
229.05048	0.8
243.02975	12.4
244.03703	0.5
245.04477	1.0
254.02225	2.1
255.02966	31.0
256.03372	0.9
271.02460	64.0
272.02930	2.6
273.04025	1.3
283.02557	1.1
299.01898	1.3
300.02734	100.0
301.03494	39.6
302.03897	1.1
463.08795	4.0
505.09860	77.7
506.10022	4.3
510.11148	0.4
538.93292	0.5
549.21747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
57.03441	1.6
59.01379	36.2
61.98829	100.0
71.01379	5.4
71.54809	0.5
72.28943	0.3
72.99312	2.3
73.02946	2.6
75.00862	0.3
83.01398	0.6
83.05042	0.4
85.02953	2.8
85.18814	0.3
87.00871	0.4
89.02443	2.3
89.13821	0.3
95.01411	0.5
97.03019	0.4
99.00887	0.6
99.04544	0.6
100.06689	0.3
101.02444	3.5
103.04026	0.9
109.02959	0.4
113.02444	2.9
113.03099	0.4
119.03524	0.9
119.05116	0.6
120.05418	0.4
121.02892	0.8
125.02470	0.5
143.04543	0.4
159.03067	0.4
161.04599	1.4
161.05936	0.3
163.04031	0.9
185.11868	0.4
191.39822	0.3
213.10373	0.9
265.09338	1.6
266.09634	0.4
283.19217	0.7
300.02676	0.4
345.26630	0.6
369.22864	0.4
399.23737	2.6
441.25012	3.2
445.24420	0.4
463.25757	0.7
485.20569	1.1
489.30865	1.7
504.25751	1.1
505.09912	0.5
505.26581	6.3
506.21262	0.6
507.32050	0.9
548.23645	2.4
548.27753	2.0
549.29370	1.5
557.96838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91446	0.7
51.15333	0.6
55.70899	0.8
57.03448	3.6
59.01380	32.6
60.01686	1.5
61.98827	100.0
71.01378	13.2
72.01733	0.8
72.99300	2.1
73.02949	5.5
76.18183	0.7
76.44096	0.7
83.01389	1.9
83.05020	1.3
85.02953	15.3
86.03318	0.6
87.00890	2.8
87.04510	1.1
88.06033	0.7
88.98830	0.7
89.02438	9.7
90.02786	0.7
95.01423	1.0
95.05008	0.8
97.02943	1.1
99.00871	5.2
99.04520	1.8
101.02437	8.3
103.04007	25.7
107.04993	0.8
113.02441	5.3
115.94242	0.6
117.81770	0.7
119.03498	4.4
121.02950	0.7
121.06605	2.3
125.02486	0.8
135.08142	1.4
137.06113	0.9
137.09717	28.1
145.05057	0.7
151.00354	0.7
160.04044	1.4
161.04567	1.2
175.11295	5.7
177.09123	1.2
179.05566	0.9
211.56941	0.6
216.62486	0.7
217.12288	1.1
219.10251	8.5
237.11299	2.6
243.13773	0.7
247.08157	1.8
261.11273	1.5
265.09265	54.1
266.09607	1.4
279.12778	0.8
300.02914	1.1
307.10330	1.0
347.09711	0.8
360.24280	0.7
369.22540	0.7
485.20279	93.8
486.20639	4.6
488.23825	1.9
489.25031	0.8
504.25208	3.6
505.09985	0.8
505.26450	2.8
547.27716	1.5
548.27625	11.7
549.28955	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	547.364
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44769	1.5
59.01385	34.5
61.98825	7.1
71.52539	1.9
72.29488	1.7
91.78967	1.8
92.82904	1.6
97.02982	2.4
121.02936	1.9
125.02442	57.4
137.40623	1.7
145.46785	1.7
152.99597	2.3
200.25500	1.9
295.69400	1.7
355.26318	4.9
369.27957	12.2
381.27948	8.2
393.27942	2.2
399.28946	6.6
411.29114	5.3
429.30087	100.0
430.30359	4.4
487.34042	15.6
491.10403	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	547.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01701	0.3
61.98831	22.2
69.88193	0.3
98.54185	0.3
119.05025	0.6
121.02969	0.8
163.04044	1.2
375.83032	0.3
399.28775	0.4
427.24872	0.5
427.98676	0.3
474.28052	0.3
487.34290	7.3
487.40622	0.3
492.63837	0.4
520.34381	0.4
534.28253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
57.20470	0.5
59.01379	100.0
59.11615	0.5
60.01715	0.6
61.98826	2.7
70.63420	1.1
83.05043	1.1
85.02964	0.6
87.04529	0.7
90.85413	0.5
101.06133	1.6
121.02949	0.5
137.09773	0.8
155.79726	0.5
173.09564	0.4
188.41026	0.5
286.77786	0.4
355.26331	0.6
362.69241	0.5
385.27484	2.6
397.27664	1.2
399.28897	6.2
411.29095	0.9
415.28830	1.6
429.30258	0.8
451.32230	2.6
469.33426	1.9
487.34271	45.9
488.34680	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	547.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
57.03447	2.1
58.00597	0.2
59.01378	100.0
60.01716	0.8
61.01825	0.2
61.98828	3.8
68.99791	0.2
69.03451	0.4
69.19930	1.4
69.20329	0.3
71.01379	15.0
72.01749	0.2
72.99309	0.6
73.02947	3.3
75.00880	0.4
81.03438	0.3
83.01392	2.1
83.04963	0.2
83.47992	0.2
85.02948	7.7
85.06616	0.2
86.00101	0.2
87.00868	0.8
87.04478	0.2
89.02441	3.5
90.43875	0.2
95.01380	1.7
97.02956	0.8
98.20044	0.8
99.00880	3.8
99.04506	0.5
100.01224	0.6
101.01366	0.3
101.02437	7.6
111.00903	0.3
111.04547	0.4
112.01642	0.2
113.02444	10.1
115.04007	0.2
119.03488	1.2
121.02963	0.5
121.06577	0.4
122.06875	0.2
124.01687	0.3
125.02418	0.8
135.04549	0.2
135.90654	0.2
143.03511	1.8
143.10759	2.2
149.04585	0.2
149.95743	0.2
159.03023	1.0
161.04550	6.5
161.05852	0.2
179.05615	0.5
232.02461	0.2
244.21893	0.2
260.59158	0.2
282.62631	0.3
283.26270	0.4
313.27649	0.3
325.27371	0.7
343.28448	3.5
389.12250	0.2
391.12762	0.8
457.31760	0.4
461.16840	0.6
469.31381	0.3
487.32742	23.9
488.32935	1.3
505.20322	1.6
505.33804	13.7
505.40289	0.2
506.33997	0.5
547.20734	13.2
547.34424	1.7
548.21265	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40710	0.1
55.01875	1.0
57.03450	2.0
57.87187	0.1
58.00597	0.4
59.01382	100.0
60.01727	0.5
61.98833	1.1
62.81546	0.1
68.98584	0.1
69.03468	0.3
69.17234	0.3
69.17639	1.1
71.01385	14.3
72.99321	0.3
73.02950	3.6
75.00867	0.2
81.03473	0.2
83.01395	2.1
84.02181	0.2
85.02954	8.3
85.06602	0.3
85.32932	0.1
86.00134	0.3
87.00894	1.0
89.02446	3.7
95.01382	2.3
97.02953	0.5
99.00883	2.1
99.08124	0.2
101.02448	8.6
111.00901	0.4
112.01697	0.2
113.02454	10.5
114.02757	0.1
119.03500	1.4
124.01690	0.3
125.02468	1.0
129.01979	0.2
131.03500	0.3
142.02744	0.2
142.52559	0.1
143.03488	2.0
143.10785	2.6
159.02960	0.9
161.04559	7.1
163.14958	0.2
179.05627	0.5
181.15927	0.2
211.17090	0.3
219.00482	0.2
246.29678	0.2
259.42572	0.1
280.65555	0.2
283.26477	0.4
293.36111	0.2
295.26407	0.2
313.27554	0.4
325.27502	0.5
343.28506	4.0
351.50760	0.1
367.28452	0.3
385.29492	0.2
413.28903	0.3
439.30212	0.2
457.31470	0.5
469.31647	0.5
487.32776	27.2
488.33118	1.1
505.33847	16.0
506.34314	0.7
547.27765	0.2
547.35364	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3281
Annotation	Stereonsteroid D
Peak:m/z	Relative Intensity
57.03452	0.8
58.00605	0.5
59.01379	20.1
61.98831	1.6
69.03454	1.5
71.01382	1.6
71.05019	1.1
71.53633	0.1
71.55709	0.1
72.99322	0.1
73.02946	7.8
75.00878	0.7
77.64813	0.1
78.91479	0.1
79.05557	0.1
80.03879	0.1
81.03466	0.5
83.05022	2.0
85.02956	0.3
85.06591	1.1
87.04498	0.5
88.98808	0.1
90.20238	0.1
93.03490	0.1
95.05025	0.3
97.02966	0.2
97.06590	9.5
98.06992	0.1
99.04519	0.5
107.05081	0.1
109.06596	0.3
115.04011	0.2
117.05575	2.8
120.05820	0.1
121.02943	0.3
121.06570	0.2
123.04557	0.1
123.08156	0.2
124.05328	0.1
125.09734	0.4
131.08656	0.1
135.08203	0.2
137.09732	0.2
145.10158	0.1
147.08105	0.1
149.09776	0.2
151.11264	0.4
155.10808	0.1
159.10243	0.1
163.11278	0.7
171.11755	0.1
177.12823	0.1
179.39450	0.1
181.12338	2.2
185.13408	0.1
201.12920	0.2
203.14262	0.1
207.13937	0.1
211.13408	0.2
213.12753	0.1
221.15482	0.8
227.14473	0.2
239.16553	0.1
255.17603	0.2
259.16803	0.1
271.20566	0.1
287.20178	0.4
299.20544	0.1
307.22629	0.3
311.20193	0.1
317.20972	0.1
321.24368	0.5
329.21423	0.1
329.24936	0.5
333.24463	0.2
341.24753	0.1
343.22617	0.2
343.28983	0.1
345.24176	0.5
347.25986	1.1
348.26288	0.1
353.24966	0.2
359.25909	0.9
363.25543	0.3
371.25879	4.7
372.26035	0.1
373.27588	0.3
375.24823	0.1
375.29059	1.6
383.25800	0.2
385.27487	3.3
387.25232	0.2
387.29471	0.6
389.26938	4.2
390.27335	0.2
391.28867	0.1
397.27435	1.2
399.28925	0.6
401.26764	0.3
403.28506	9.7
404.28622	0.4
405.30203	0.6
409.27451	0.6
412.26196	0.2
413.30746	0.2
415.28519	3.2
416.29019	0.1
417.29950	0.4
419.28003	0.3
427.22681	0.2
427.28485	3.5
428.28949	0.2
431.27954	2.3
433.29590	2.2
434.29788	0.1
435.25125	0.2
435.31119	3.5
436.31689	0.2
445.29593	6.2
446.29901	0.3
452.71393	0.1
457.29587	1.1
461.28818	0.1
463.30637	14.4
464.31003	0.8
469.29407	0.4
473.29150	0.3
475.30551	0.2
477.32281	0.4
487.30661	1.8
503.29987	0.1
505.31686	100.0
506.31992	5.4
529.31702	0.2
547.32800	4.4
548.33331	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00711	10.9
59.01368	16.3
59.24426	12.1
61.98833	37.0
70.07456	35.5
71.41927	10.1
78.95905	72.2
99.92603	17.4
106.23575	13.6
110.82825	12.9
111.69458	10.4
115.92108	17.4
116.92867	23.0
152.99564	16.7
167.01169	14.7
178.88455	24.0
179.89214	32.4
180.89969	12.5
193.90759	36.8
196.89529	74.3
209.65837	11.7
210.90999	11.7
277.00470	11.7
379.28506	21.6
529.16730	17.1
547.18030	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03447	12.5
57.07680	0.7
58.00594	1.5
59.01380	62.5
61.98810	2.9
69.03452	0.8
71.01380	18.6
71.05006	0.8
71.54589	1.0
72.99297	1.5
73.02616	0.7
73.02949	9.0
74.03316	0.7
75.00847	2.1
76.43033	0.6
77.28497	0.7
83.01357	3.0
83.05049	1.0
85.02468	1.1
85.02954	20.1
85.06586	0.7
87.00865	2.6
88.98801	0.8
89.01942	1.0
89.02447	11.8
90.75491	0.8
95.01368	1.7
95.05009	1.1
96.96013	3.6
97.02937	1.2
97.06576	2.6
99.04522	22.4
101.01817	0.9
101.02445	14.3
101.06032	0.7
103.04010	26.7
111.04555	0.7
113.02444	6.1
113.06095	6.5
119.03493	4.9
123.04485	2.1
125.02406	1.7
132.04961	0.6
135.02982	7.0
139.03978	0.8
139.07574	1.2
141.04672	0.8
141.05589	7.6
143.03471	0.9
145.05048	1.0
159.06668	0.6
161.04498	1.7
161.09692	1.0
161.13365	1.4
175.14780	0.9
177.12833	1.4
179.05569	1.1
193.05098	0.6
195.85304	0.7
199.09709	4.6
201.12802	1.0
205.12334	3.7
217.12061	0.7
219.13712	0.8
221.11749	2.6
237.14987	7.3
249.11354	5.0
263.12576	1.0
265.09296	14.5
281.13733	1.8
299.14978	11.8
307.10242	1.9
323.14886	1.6
325.20068	1.2
327.21927	0.8
343.15842	0.7
347.13455	7.1
385.17953	0.9
398.85785	0.7
401.17972	2.5
403.19452	1.5
429.17578	6.9
445.20712	0.8
461.19989	4.6
467.21906	0.8
469.20682	1.1
487.21750	3.0
503.24991	8.8
529.22906	2.8
547.23773	100.0
548.24298	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	547.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03447	12.5
57.07680	0.7
58.00594	1.5
59.01380	62.5
61.98810	2.9
69.03452	0.8
71.01380	18.6
71.05006	0.8
71.54589	1.0
72.99297	1.5
73.02616	0.7
73.02949	9.0
74.03316	0.7
75.00847	2.1
76.43033	0.6
77.28497	0.7
83.01357	3.0
83.05049	1.0
85.02468	1.1
85.02954	20.1
85.06586	0.7
87.00865	2.6
88.98801	0.8
89.01942	1.0
89.02447	11.8
90.75491	0.8
95.01368	1.7
95.05009	1.1
96.96013	3.6
97.02937	1.2
97.06576	2.6
99.04522	22.4
101.01817	0.9
101.02445	14.3
101.06032	0.7
103.04010	26.7
111.04555	0.7
113.02444	6.1
113.06095	6.5
119.03493	4.9
123.04485	2.1
125.02406	1.7
132.04961	0.6
135.02982	7.0
139.03978	0.8
139.07574	1.2
141.04672	0.8
141.05589	7.6
143.03471	0.9
145.05048	1.0
159.06668	0.6
161.04498	1.7
161.09692	1.0
161.13365	1.4
175.14780	0.9
177.12833	1.4
179.05569	1.1
193.05098	0.6
195.85304	0.7
199.09709	4.6
201.12802	1.0
205.12334	3.7
217.12061	0.7
219.13712	0.8
221.11749	2.6
237.14987	7.3
249.11354	5.0
263.12576	1.0
265.09296	14.5
281.13733	1.8
299.14978	11.8
307.10242	1.9
323.14886	1.6
325.20068	1.2
327.21927	0.8
343.15842	0.7
347.13455	7.1
385.17953	0.9
398.85785	0.7
401.17972	2.5
403.19452	1.5
429.17578	6.9
445.20712	0.8
461.19989	4.6
467.21906	0.8
469.20682	1.1
487.21750	3.0
503.24991	8.8
529.22906	2.8
547.23773	100.0
548.24298	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	547.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.1
60.43919	0.3
61.98832	3.4
71.52509	0.3
72.99359	0.3
73.60351	0.3
77.03995	0.4
93.03439	0.4
99.04521	25.7
101.06109	0.5
113.65078	0.3
121.02959	100.0
122.03310	1.0
146.50217	0.3
147.04448	0.4
212.38222	0.3
261.74716	0.3
415.28424	2.1
425.19736	1.7
447.18155	1.0
487.34134	0.5
547.23364	8.3
547.36169	0.4
548.23938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03526	0.3
59.01147	1.8
59.01484	6.7
61.98586	0.7
61.98940	3.0
69.22077	2.2
71.01501	1.0
72.99430	1.0
73.03040	0.4
83.05129	0.5
85.03091	1.3
87.00986	0.4
89.02535	0.2
93.03568	0.4
96.96095	0.2
97.03078	0.3
99.00970	0.2
99.04654	0.3
101.02586	0.7
109.03104	1.9
111.04620	0.2
113.02570	0.4
117.05895	0.2
119.05159	0.3
121.03119	6.4
122.03896	3.7
123.04682	2.5
135.04520	2.6
136.05420	0.5
137.02596	0.8
147.04697	0.4
148.05399	0.3
149.06232	1.2
154.02858	0.6
161.04892	0.5
161.06061	1.7
163.04007	2.6
163.07707	0.3
165.05679	0.4
173.06180	0.4
177.05647	0.3
189.05742	0.8
190.06367	1.1
191.02124	0.6
191.07152	4.0
201.11264	1.3
203.07106	0.4
205.08786	0.3
209.03047	1.0
209.11790	3.4
227.13023	0.5
231.34880	0.2
297.11551	0.3
299.12872	1.4
313.10730	2.0
327.12524	1.1
328.13123	23.2
329.13492	1.0
341.13596	0.3
342.14755	0.4
343.15472	100.0
344.15848	4.0
385.16559	0.5
443.24533	0.4
477.21124	0.3
487.19449	0.7
487.32214	0.7
505.20923	1.1
547.21411	7.7
547.28717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13557	0.2
54.03302	0.2
57.03405	0.2
59.01320	2.4
59.60482	0.1
61.98769	1.0
69.28231	1.0
69.28634	0.3
71.01323	0.5
72.99310	1.2
73.02883	0.5
74.89687	0.1
78.80141	0.2
83.01319	0.2
85.02876	0.5
87.04439	0.2
89.02396	0.4
93.03399	0.6
96.95970	0.2
101.02381	0.5
103.03960	0.3
108.02123	0.3
109.02950	2.5
113.02386	0.2
119.04949	0.3
121.02956	8.3
122.03742	5.8
123.04530	2.8
124.01649	0.2
135.04530	1.6
136.05286	0.9
137.02350	0.8
147.04469	0.3
149.06046	0.8
153.01944	0.2
154.02621	0.7
161.06093	2.2
161.88657	0.2
163.04016	1.6
168.04250	0.2
173.06018	0.6
177.05585	0.4
189.05482	0.5
190.06293	1.4
191.05522	0.3
191.07123	3.7
197.26683	0.2
203.07072	0.7
205.08479	0.2
240.07874	0.3
265.09338	0.2
281.17517	0.3
283.09637	0.2
298.12112	0.3
299.12799	1.2
311.12830	0.2
313.10788	2.0
327.12415	0.9
328.13141	29.2
329.13452	1.1
343.15488	100.0
344.15860	3.7
399.70459	0.2
487.19986	1.1
503.25684	0.4
505.20972	0.3
547.22302	0.7
547.28162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77175	0.4
54.46326	0.4
57.03443	2.2
57.41982	0.4
59.01382	22.9
60.99309	16.4
61.98827	3.7
69.34766	3.9
71.01387	5.0
72.99301	1.5
73.02956	4.1
78.91426	0.4
82.25978	0.4
83.01387	0.8
85.02953	3.7
87.00880	1.7
87.04519	0.6
88.98808	100.0
89.02422	2.8
89.60920	0.5
90.60685	0.5
96.96027	1.1
97.06564	0.5
99.00886	0.9
99.04510	0.6
101.02444	3.3
103.00433	0.4
103.03989	2.5
107.04992	0.7
111.04504	0.6
113.01755	0.5
113.02462	2.0
116.92876	0.4
119.03526	0.8
119.05035	2.1
139.03983	0.7
161.02388	0.5
161.04582	0.5
163.03999	1.5
170.50369	0.5
211.13411	0.6
225.31328	0.4
259.95758	0.5
265.09399	1.4
299.14917	1.5
353.19534	0.5
371.20865	0.8
413.21698	1.3
451.34698	0.5
497.18579	0.5
503.25082	4.6
516.10699	0.6
547.28363	14.7
548.27856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20702	3.2
53.51677	3.6
54.09415	3.7
55.18725	3.5
56.88397	3.4
57.03429	8.7
58.37729	3.4
59.01375	41.8
61.98827	26.2
63.91751	3.3
71.01376	33.5
71.53940	3.9
73.02934	7.4
74.53078	3.1
75.00870	15.8
80.96507	4.8
82.96082	6.3
83.01363	14.7
85.02953	23.6
87.00871	8.5
89.02438	21.7
93.03502	4.2
95.01372	4.9
96.95985	18.2
99.04501	10.3
101.02457	17.3
108.02135	4.1
111.00898	6.0
113.02457	17.0
118.91156	4.1
118.98080	9.0
119.03498	9.3
121.02985	4.9
125.02439	5.1
129.01921	10.7
137.63148	3.7
147.02940	4.2
148.05293	14.4
149.06042	4.5
160.01665	7.3
161.04478	4.9
163.03949	6.3
163.07674	15.6
175.03958	17.1
178.06282	6.2
188.04843	19.1
190.02704	3.4
191.02046	9.0
191.05653	7.8
205.04982	4.8
209.03058	7.2
221.08194	20.3
225.00687	4.5
241.14345	4.3
247.06049	10.6
303.07178	4.3
307.08157	9.5
327.47211	4.0
341.12381	6.1
353.41614	3.7
355.15463	3.9
383.13464	7.7
427.12399	100.0
503.15973	6.6
547.18713	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
60.01720	0.1
60.35911	0.1
61.01794	0.2
61.98828	100.0
72.29827	0.1
98.19913	0.4
98.20629	0.4
114.55103	0.1
135.46291	0.1
160.77068	0.1
171.89955	0.1
186.84314	0.1
229.45592	0.1
250.18878	0.1
268.62619	0.1
376.57181	0.1
390.65692	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.3
61.98829	100.0
69.20798	3.3
78.95928	0.8
104.75208	0.3
105.01938	0.8
118.06836	0.3
196.89429	0.4
197.89537	0.4
278.22015	0.4
280.27011	0.4
313.97055	0.3
394.93073	0.3
429.30167	0.4
546.16534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
59.01377	32.0
60.01727	0.3
60.99047	0.2
61.98829	100.0
70.91957	0.5
70.92268	0.3
71.01382	4.0
72.99310	1.0
73.02947	1.6
83.01417	0.5
85.02945	2.4
87.00886	0.7
89.02437	1.7
94.59071	0.3
95.01402	0.4
96.96008	0.4
99.00893	0.6
99.04527	0.5
101.02439	2.9
103.04007	0.7
106.06664	0.5
110.04256	0.3
113.02470	1.7
119.03511	0.9
121.02982	0.3
121.57930	0.3
125.02522	0.3
135.04495	0.3
136.23352	0.3
143.03522	0.6
147.04626	0.3
149.02486	1.0
150.02896	0.4
161.04559	1.7
170.79774	0.3
178.57494	0.3
179.05542	0.3
209.11711	0.5
226.35271	0.3
251.99426	0.3
267.94281	0.3
283.09366	0.4
341.10239	0.7
342.10706	1.2
343.12903	0.4
379.21381	1.0
397.22330	4.4
439.23428	5.4
442.22568	0.4
443.85812	0.3
483.22641	0.4
486.22418	1.8
514.21625	0.4
546.17273	0.4
546.24103	1.5
547.21008	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	546.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01386	1.5
61.98831	100.0
69.41145	1.1
71.01387	0.5
73.02950	0.2
74.71059	0.1
76.00076	0.2
85.02972	0.5
89.02459	0.2
96.96017	0.4
98.20245	0.7
99.04538	0.3
100.04883	0.2
101.02462	0.5
102.84109	0.2
113.02507	0.2
115.00358	0.2
125.02424	0.4
143.03557	0.2
153.09248	0.6
154.09549	0.3
161.04591	0.2
201.26329	0.2
221.11835	0.2
222.12131	0.2
239.12938	0.4
321.80008	0.2
407.58310	0.2
488.16473	0.2
508.70044	0.2
546.23187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38818	0.5
59.01379	100.0
61.98828	10.8
61.99131	1.0
67.25489	0.5
68.43116	0.6
69.91949	0.5
69.92262	2.6
98.20235	1.1
99.04545	2.2
121.02974	0.7
419.29651	0.7
485.32843	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01725	0.5
61.98829	5.2
65.01040	0.4
68.29575	0.4
76.20509	0.4
83.05019	0.6
85.02990	1.0
99.04576	0.5
102.63554	0.4
116.04781	1.1
117.05569	0.5
125.86896	0.4
138.12320	0.4
141.05649	0.5
168.09509	0.4
171.16158	0.4
201.38533	0.5
279.22610	0.5
283.91159	0.4
385.27411	0.6
397.27960	0.5
409.27454	0.7
425.30896	1.0
427.28607	2.4
428.51904	0.6
467.32062	2.0
471.05417	0.5
477.66119	0.5
485.32541	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3117
Annotation	Westiellamide
Peak:m/z	Relative Intensity
53.94434	0.7
59.01375	8.1
61.98833	3.6
70.01994	2.2
75.00875	0.8
77.03968	1.1
78.95909	2.4
87.04502	6.4
87.88728	0.7
91.04004	1.7
95.05026	1.8
96.96027	1.7
101.06080	1.7
105.03452	6.6
121.02975	1.3
122.03748	2.3
123.04549	1.9
126.06866	0.6
132.02161	4.7
133.02956	29.9
134.03743	9.6
135.04567	4.0
137.02441	5.8
139.04021	1.3
147.04517	2.2
148.05278	2.5
149.06012	1.5
149.68478	0.8
150.03236	0.8
152.99544	0.9
160.01660	32.4
161.02443	16.2
161.06059	4.5
175.03992	69.2
176.04195	1.0
177.01936	1.7
178.02692	2.4
179.03485	2.9
190.10001	1.1
193.05058	5.2
194.02228	1.7
194.90102	1.2
196.89453	0.8
247.09869	1.2
277.21698	1.0
279.23294	2.2
286.44153	0.7
287.12854	2.9
295.22809	8.6
297.15088	1.6
327.16104	5.3
341.17499	2.2
355.19745	0.8
371.25620	1.4
383.25888	3.1
385.27484	3.8
401.26868	1.9
415.28183	0.8
437.69000	0.9
439.25125	6.3
453.26440	19.8
454.26337	0.8
457.26080	0.9
471.27481	32.9
472.27756	1.5
485.32578	6.7
530.28772	2.1
545.31165	100.0
546.31415	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27582	4.5
54.28145	4.3
54.63853	4.7
56.87087	4.5
59.01372	27.9
61.98825	100.0
70.38277	16.2
75.00884	12.0
78.95913	19.4
96.95992	17.2
97.93110	6.9
110.98528	6.6
133.02940	5.7
141.09804	5.3
145.08102	5.3
161.02449	18.7
164.81407	5.1
167.01172	5.6
177.89615	7.0
191.91339	12.5
194.89998	14.2
206.41475	5.1
279.23184	22.9
453.25485	5.8
527.16876	7.4
531.54120	6.1
541.15118	6.1
545.18091	16.9
545.31317	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98832	11.0
69.03472	2.0
71.01368	1.6
71.05004	2.7
71.52277	1.8
74.00745	1.3
78.36348	1.3
81.03452	9.1
83.05020	2.0
85.02954	9.1
91.82180	1.2
95.05035	15.0
97.06566	1.9
98.03738	1.6
99.04517	24.2
101.06042	1.8
111.04498	2.2
113.06103	7.5
118.04285	1.4
124.05315	1.5
125.06080	6.6
132.86627	1.2
136.49181	1.3
141.05580	44.0
149.06071	1.5
151.69949	1.1
159.06859	1.2
167.07086	6.7
203.10764	4.2
206.61182	1.2
224.81950	1.2
237.85028	1.2
325.17764	1.5
349.18060	1.8
363.19751	7.2
381.20636	28.0
389.21234	5.2
407.22235	5.2
425.23593	1.8
441.22726	3.4
467.24384	11.3
485.25546	9.3
487.30478	1.8
545.28363	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	545.224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07415	1.2
55.33057	1.3
57.03451	62.5
59.01380	71.3
59.37454	1.5
61.80749	1.3
61.98830	51.7
69.03467	3.3
69.37858	3.3
69.38284	7.7
71.01379	31.2
73.02946	19.6
75.00874	1.4
81.03460	3.8
83.01401	5.9
85.02950	20.0
87.00886	1.5
87.04514	2.6
89.02441	9.0
95.05034	1.5
96.96005	8.0
97.02955	3.3
97.06624	1.9
98.20676	2.5
99.00908	4.1
99.04521	72.5
99.92605	2.7
99.97789	1.6
101.02442	35.0
108.02173	1.5
109.02952	2.5
109.06591	2.2
111.00867	2.8
111.04536	2.5
113.02444	14.4
113.06068	2.0
116.92872	4.2
119.03532	3.3
121.02938	2.0
123.04532	4.7
125.02448	45.0
125.06100	2.6
129.01987	2.0
135.04497	7.4
136.01688	1.7
136.05289	2.9
136.42662	1.3
138.06865	16.0
139.00351	3.9
139.03987	2.1
139.07642	4.0
143.03497	5.2
149.02495	1.8
149.06038	1.9
150.03227	1.6
151.03986	2.0
151.07626	19.6
152.04872	1.8
152.08388	6.8
153.09213	100.0
157.01509	2.2
161.04555	12.5
161.09703	2.4
164.07121	1.8
165.01851	1.6
165.05507	1.9
165.09190	23.6
170.05876	1.9
178.09937	2.0
179.05708	2.7
179.10808	2.3
188.08406	2.1
195.06721	3.5
203.05598	5.2
203.10745	7.0
206.09460	8.1
221.11824	64.5
231.08728	2.8
239.12889	64.8
240.13142	2.4
265.09302	1.8
383.17078	4.9
401.18192	17.3
443.19391	5.0
501.23511	8.4
545.22498	48.9
546.23553	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2026
Annotation	[3S-(3alpha,5alpha,5aalpha,6alpha,9beta,9aalpha,10S*)]-5,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]-6-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-4H-3,9a-methano-1-benzoxepin-4-one
Peak:m/z	Relative Intensity
59.01377	21.8
61.98812	1.4
71.01378	3.2
71.52908	0.4
71.53259	0.4
73.02945	0.9
79.05534	1.4
83.05024	0.5
85.02955	1.7
87.04513	0.5
88.98811	1.7
93.03452	0.7
95.04999	1.0
99.00877	15.8
99.04503	0.7
105.07053	0.5
105.72875	0.4
107.05054	0.7
111.04538	1.1
113.06108	1.0
117.03482	0.8
119.05006	1.8
121.02953	1.0
121.06579	3.5
123.04532	0.5
126.70575	0.4
133.06664	0.4
135.04515	3.5
145.02965	6.3
145.10219	0.6
146.03267	0.7
149.06050	1.0
151.07523	0.5
159.04507	0.5
161.06021	1.2
162.14104	0.4
163.04024	1.7
164.04765	1.2
183.08089	0.4
185.06161	0.6
189.05608	0.4
192.91287	0.5
197.09659	0.7
199.07758	0.5
199.11308	1.1
201.09155	0.4
209.09750	0.6
210.06834	0.6
211.07701	0.9
212.08470	0.5
213.12894	0.4
227.10715	3.1
237.09242	0.5
239.07268	0.4
239.10725	0.5
250.06520	0.4
255.10292	0.9
265.08722	0.7
268.07343	0.6
281.11871	0.5
283.09695	1.5
294.08737	0.6
302.99493	0.4
317.13776	0.5
343.11792	1.9
359.18408	0.8
371.11295	1.1
389.12402	12.1
390.12622	0.4
415.24896	1.1
427.17392	0.6
433.26001	0.7
443.82416	0.5
445.18665	1.2
459.16589	8.3
473.29044	0.6
475.19406	0.9
483.20367	0.8
485.18170	5.3
503.19241	18.3
504.19418	0.9
507.29620	4.8
509.30228	1.3
527.19220	1.1
545.20270	100.0
546.20587	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.6
59.01382	61.5
61.98819	3.7
68.39915	1.0
69.16183	12.6
71.01387	46.1
72.99303	2.7
73.02940	6.6
83.01392	2.0
83.05018	1.6
85.02946	10.1
87.00886	1.6
89.02445	35.0
96.95995	3.6
98.19774	2.0
98.30452	1.4
99.04503	6.2
101.02440	19.6
103.04012	2.7
113.02462	13.6
115.00381	22.6
119.03500	19.9
123.04573	1.5
131.03578	1.9
133.01456	12.2
143.03496	2.8
146.07735	1.3
149.04547	1.7
161.04553	4.9
161.13383	14.1
161.47946	1.4
179.05630	11.7
187.11288	2.6
205.12335	30.5
249.08669	2.2
249.11292	41.5
251.89514	1.4
265.09415	1.9
318.85342	1.3
320.12350	1.3
323.18646	2.8
385.18381	1.8
390.60281	1.2
429.17630	100.0
430.18002	5.1
459.18454	1.3
475.32178	1.4
545.18927	5.2
545.27039	11.4
546.27850	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.3
58.00587	2.4
59.01382	60.6
62.49368	0.9
69.40240	6.5
71.01382	43.7
72.99299	3.3
73.02950	2.6
75.00879	1.0
81.07082	1.2
82.94223	0.9
83.01387	3.0
85.02946	7.4
87.00862	1.8
88.98799	3.4
89.02448	43.6
95.01369	2.4
98.19930	1.7
98.20581	1.9
99.04530	5.8
101.02448	20.3
111.04536	2.6
113.02452	13.3
115.00383	20.7
119.03508	19.2
131.03497	2.6
133.01451	8.7
135.68318	0.9
143.03517	2.6
149.04518	1.6
161.04579	4.3
161.13358	14.5
179.04137	1.4
179.05617	16.6
187.11205	2.5
205.12341	37.3
206.12599	1.4
229.76292	1.0
249.11320	43.8
264.05048	1.0
294.86157	0.8
297.48157	1.0
378.34583	0.9
385.18668	4.2
429.17639	100.0
430.17856	3.9
501.24356	1.8
507.22281	1.9
545.18506	3.0
545.26691	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.2
57.97981	1.3
58.00579	2.5
59.01378	68.7
61.98819	2.7
71.01382	53.6
71.02339	1.5
71.02694	2.6
72.99299	1.9
73.02943	5.8
75.02080	1.5
83.01377	3.7
85.02931	8.2
87.00864	1.4
87.37069	1.4
89.02445	43.8
95.01390	2.1
99.04521	5.3
101.02441	24.0
113.02444	15.4
115.00368	29.3
119.03503	20.7
125.63822	1.3
131.03497	2.3
133.01437	28.9
143.03522	3.3
149.04594	2.4
161.04553	6.1
161.13338	19.3
179.05605	15.8
200.90750	1.6
205.12325	40.2
213.11382	1.6
249.11292	50.7
249.26823	1.5
265.09293	2.2
324.88766	1.5
385.18683	7.0
429.17603	100.0
430.18079	3.4
501.23282	2.2
545.18915	6.3
545.26489	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	544.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84774	0.1
59.01382	0.7
61.98829	100.0
67.49998	0.1
68.99572	0.1
70.27016	0.2
70.27377	0.2
99.04522	0.2
112.98566	0.3
116.33334	0.1
203.06003	0.1
231.40697	0.1
260.61639	0.1
346.66794	0.1
399.16177	0.1
464.05618	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	544.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.0
61.98831	100.0
66.02312	0.3
67.68301	0.3
73.50261	0.4
83.05025	0.4
97.06562	0.7
99.00893	0.4
99.04560	0.5
101.06020	0.4
121.71797	0.3
175.42313	0.3
183.27423	0.3
186.37645	0.3
254.60754	0.3
389.23312	0.3
484.30750	0.4
486.29459	2.3
544.30066	0.6
545.20953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01719	0.5
61.98841	1.1
97.06644	0.1
98.20661	0.3
99.04531	0.9
101.06088	0.2
121.02958	0.4
233.15425	0.1
248.14070	0.1
421.31281	0.2
436.71872	0.1
437.30780	0.4
439.32108	1.9
465.30249	0.1
481.29651	0.2
483.31152	6.9
484.31647	0.4
485.29437	0.3
525.28491	0.1
543.30048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98824	0.7
68.62621	0.3
68.83036	0.3
71.01378	2.1
73.02953	0.6
75.00875	0.6
77.03959	0.4
83.01363	0.4
85.02972	0.8
89.02454	0.5
89.35098	0.3
100.04292	0.3
101.02435	2.1
101.32404	0.4
103.00356	1.1
103.71728	0.3
105.03468	1.1
113.02471	0.6
127.57633	0.3
132.02141	0.4
133.02975	3.7
134.03746	4.8
135.04538	1.8
137.02467	0.5
147.04514	0.5
148.05298	1.8
149.06081	0.7
160.01657	4.1
161.02481	1.6
161.04541	1.7
175.03993	9.0
178.02727	1.1
178.05295	0.3
179.03502	1.3
193.05057	3.7
203.42368	0.3
219.54475	0.3
221.11429	0.4
223.08217	6.1
275.20117	0.4
277.21713	42.3
278.21979	0.8
285.11340	0.5
293.21078	0.5
304.36725	0.4
319.03156	0.3
339.79672	0.3
376.57938	0.3
437.23340	0.7
451.24783	3.1
469.26019	3.2
478.89975	0.4
519.78400	0.3
543.29547	15.6
544.29956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03442	0.9
58.00577	0.7
59.01378	14.0
61.98839	1.9
68.99812	0.4
69.03464	0.7
70.94785	1.1
71.01382	8.6
72.99296	0.7
73.02933	1.9
75.72935	0.3
79.95772	0.4
80.96482	0.4
83.01380	1.6
85.02946	4.1
87.00879	1.0
88.98812	0.5
89.02440	6.2
93.03462	0.6
95.01382	1.0
96.00963	0.4
96.96011	2.4
99.68776	0.4
101.02443	7.9
104.31688	0.4
113.02433	3.3
115.00385	0.7
119.03523	2.6
119.05024	1.2
123.37022	0.4
135.04491	0.8
137.09749	0.8
145.02907	1.1
147.04515	1.6
149.06013	0.9
159.04721	0.4
161.02396	0.5
161.04587	0.5
161.06044	0.6
163.03987	0.5
165.05589	0.7
175.02533	0.7
177.01942	0.6
177.05554	2.0
179.05661	0.4
179.07111	0.6
189.05560	0.7
193.04794	0.4
199.04037	0.4
205.05037	0.9
213.05435	0.5
217.05025	2.2
221.04520	8.2
229.05042	0.4
233.07967	0.4
241.05084	0.4
255.06595	0.6
257.15540	0.7
259.06189	0.4
261.04025	3.2
273.18634	0.9
281.06604	0.9
291.19531	0.5
301.17947	0.6
319.08139	1.1
319.19113	10.8
319.22931	0.6
321.06104	5.5
335.18695	0.5
337.20197	9.1
338.20450	0.8
345.17218	1.8
363.18192	3.8
439.12204	0.8
483.11404	3.7
499.25470	6.5
525.14673	0.5
543.24438	100.0
544.17029	0.5
544.24805	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	542.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.0
59.01377	6.2
60.01747	0.3
61.98828	100.0
70.17360	0.6
70.17773	1.0
71.01379	1.1
85.02978	0.8
87.04505	2.2
89.02454	0.9
99.04493	0.6
100.61950	0.3
101.02438	1.0
103.04008	96.3
104.04341	0.8
113.02425	0.6
119.63445	0.3
130.08740	2.8
161.04535	0.4
169.61374	0.3
198.71529	0.3
238.14919	0.3
272.24548	0.3
289.44904	0.3
318.20602	1.1
343.15302	0.3
349.18515	0.9
362.19495	0.6
398.02832	0.3
404.16037	0.4
448.15146	0.5
455.87378	0.4
499.21909	0.5
514.68488	0.3
524.16553	0.6
542.17877	0.6
542.25922	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	543.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.3
69.03439	0.9
69.94456	1.7
77.96497	0.3
81.03464	0.4
83.05009	0.5
85.02924	0.5
95.04988	0.7
97.02962	1.1
97.06586	1.5
98.20174	0.9
99.04516	0.6
101.02478	0.4
109.06590	4.2
111.04488	0.6
121.06522	0.4
123.04491	0.8
123.08165	5.0
124.05310	5.2
125.06084	0.6
129.09218	1.1
131.90289	0.4
135.08167	0.7
136.05280	2.2
139.07651	30.4
149.09738	0.4
151.07646	15.0
151.11270	1.1
153.09219	3.2
161.09734	3.1
163.07648	0.8
164.08360	0.7
165.09167	0.7
169.08734	1.7
169.12344	0.5
173.09622	0.6
175.07680	0.5
179.10767	18.9
180.10989	0.7
181.12331	1.2
189.09219	0.7
191.10789	4.9
197.11848	2.0
207.10245	1.0
209.11826	9.5
225.11264	0.5
227.12874	8.6
271.11853	100.0
272.12198	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	541.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64032	0.5
59.01379	100.0
61.98830	14.3
71.01395	1.0
71.52391	0.8
85.02978	0.8
85.14723	0.5
97.06557	1.2
99.04517	38.0
101.06114	0.8
104.82576	0.6
123.04516	1.0
197.11778	1.3
211.13377	2.2
269.15366	0.7
423.21750	0.7
441.23026	1.1
451.24918	1.5
459.24130	1.7
481.29581	54.3
482.29724	2.2
509.27554	2.6
541.28015	38.0
542.28479	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03399	0.2
59.01381	2.0
59.01640	0.3
60.99305	14.4
60.99623	0.7
61.00496	0.3
61.98820	1.3
69.25357	2.1
71.01379	0.8
78.95899	0.4
85.02945	1.1
87.00868	0.3
88.00400	1.1
88.98804	100.0
89.02441	2.7
89.99129	0.6
96.96015	1.6
101.02449	0.5
109.02898	0.4
113.02447	0.4
119.03536	0.3
119.05008	0.9
120.04498	0.3
120.68880	0.3
120.99657	0.3
123.00867	0.3
131.03467	0.4
132.04625	0.3
134.06129	0.3
150.03279	0.3
150.56541	0.3
153.01756	0.3
160.04135	0.4
163.04025	0.8
165.05550	0.3
166.02678	0.3
191.01917	0.4
215.09349	0.6
233.10262	0.4
239.05598	0.6
258.11505	0.4
265.09256	0.3
283.88074	0.3
318.09882	0.3
339.09949	0.3
383.08951	0.7
391.09268	0.4
409.10306	1.1
417.14886	0.4
523.13416	0.7
541.15216	1.6
541.27527	0.4
568.12463	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3171
Annotation	Vannusal B
Peak:m/z	Relative Intensity
59.01381	100.0
61.98840	0.2
70.39660	0.2
99.04543	0.7
203.83278	0.2
231.13918	0.4
245.15504	0.3
246.12556	0.3
259.17114	0.7
268.21686	0.2
280.27148	0.3
283.17068	0.3
301.18066	0.3
335.20380	0.3
389.24747	0.6
419.29617	1.6
435.29086	1.0
437.24716	0.4
437.30533	5.3
448.26019	0.3
451.24933	0.4
479.28046	1.1
481.29587	35.6
482.29968	2.2
541.12915	0.3
541.28394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95027	0.3
55.01866	0.4
57.03439	1.4
59.01379	8.2
61.98830	5.4
69.03476	0.3
70.79652	0.3
71.01379	1.6
73.02938	1.6
74.99099	0.6
75.00880	0.3
83.01398	0.4
83.05035	0.5
85.02951	2.4
89.02467	0.7
96.96003	0.4
98.20705	0.5
99.04506	2.0
101.00670	0.5
101.02426	1.9
110.69091	0.3
113.02440	1.0
119.03470	0.5
120.99656	100.0
121.02965	2.4
121.99950	0.4
125.02409	0.6
128.03603	0.4
130.08691	0.4
136.99165	0.4
161.04510	0.6
165.01884	0.4
166.76176	0.3
193.05103	0.4
198.99437	0.3
200.92989	0.3
251.95090	0.3
255.06729	0.5
261.59836	0.3
333.20758	0.3
333.24600	0.5
381.20059	0.3
466.28101	0.4
497.13327	0.4
497.20432	1.0
497.31265	0.5
541.28955	7.3
542.27716	0.5
560.32336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01825	0.2
57.03431	0.3
59.01376	2.3
61.98816	0.7
69.17246	1.4
70.02018	0.2
71.01393	0.4
73.02953	0.4
73.71982	0.2
85.02953	0.8
89.02444	0.3
91.04008	0.1
96.96032	0.2
98.20670	0.4
99.04510	0.5
101.00650	0.3
101.02452	0.5
102.98598	0.2
119.01719	0.4
120.66360	0.2
120.99653	100.0
121.99984	0.5
149.06166	0.2
176.10872	0.2
289.22073	0.2
333.24408	0.3
523.25537	0.2
541.28418	14.1
542.28503	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2804
Annotation	Ardisiaquinone D
Peak:m/z	Relative Intensity
50.92022	0.3
54.56665	0.3
57.03468	0.3
59.01370	1.3
61.98820	1.9
71.01388	0.9
71.05022	0.5
79.05528	1.4
83.05006	1.7
95.05007	0.6
97.06601	2.5
99.04517	100.0
100.04855	1.2
109.06577	0.4
111.04437	0.4
113.06071	0.8
121.06546	0.5
125.06095	0.3
135.04503	0.5
135.08073	0.3
145.06567	1.7
149.09743	0.4
160.05315	0.7
161.06093	1.6
161.09645	0.5
163.07684	0.6
177.09271	0.4
185.09737	1.4
187.07626	1.9
189.09169	0.4
191.10660	0.3
201.09195	0.4
203.10667	0.4
213.09206	0.5
217.12259	0.5
219.10213	0.4
227.10812	0.5
265.12302	0.9
283.13354	0.8
291.13895	0.5
301.14401	0.5
307.13376	2.0
309.15057	1.8
310.12030	0.6
325.14337	1.4
326.15146	0.7
327.16208	0.4
335.16132	0.4
351.19711	0.5
361.17990	0.5
379.19083	1.7
397.20172	1.3
405.20587	0.8
413.23309	0.6
423.21600	2.3
439.21045	0.6
441.22806	9.8
442.23462	0.4
443.20712	0.7
450.25613	0.3
459.23773	4.8
460.24365	0.4
523.26849	0.4
539.26398	0.5
541.28033	96.9
542.28333	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	541.2804
Annotation	Ardisiaquinone D
Peak:m/z	Relative Intensity
55.55446	0.1
57.03449	0.1
59.01374	0.3
61.26522	0.1
61.98822	0.1
67.01890	0.3
69.03446	0.1
70.52852	0.2
71.01384	0.5
75.60053	0.1
76.69637	0.1
79.05534	2.0
81.03443	0.1
83.05022	1.4
85.02931	0.2
93.03451	0.4
95.05021	1.0
97.02979	0.1
97.06598	0.7
99.04517	89.4
100.04854	1.1
101.06063	0.4
107.05013	0.3
109.06584	0.3
110.03632	0.1
110.36521	0.1
111.04510	0.2
111.08154	0.2
117.03453	0.4
119.05019	0.7
121.02956	0.1
121.06585	0.6
123.04507	0.4
123.08041	0.1
124.05309	0.1
125.06084	0.9
129.07092	0.1
133.06593	0.2
135.04495	0.1
135.08134	0.2
137.02403	0.1
137.06067	0.2
139.07634	0.1
143.04980	0.1
145.01888	0.2
145.02953	2.3
145.06618	0.6
146.03430	0.1
147.08185	0.5
149.06111	0.1
149.09686	0.1
157.97916	0.1
159.04514	0.1
159.08134	0.1
160.05304	0.8
161.06133	0.4
161.09720	0.6
163.04016	0.5
163.07600	0.3
163.11299	0.3
171.08200	0.1
172.05284	0.1
173.09746	0.2
175.07635	0.1
175.11272	0.1
177.09167	0.2
183.08118	0.1
185.09702	0.9
187.07639	1.5
187.11234	0.3
189.09229	0.3
189.12874	0.1
191.10759	0.6
197.09599	0.1
199.11305	0.2
199.14935	0.2
201.09193	0.6
201.12729	0.1
203.10760	0.3
205.12337	0.3
207.10266	0.3
211.07552	0.2
211.11301	0.1
213.09238	0.2
215.10780	0.1
217.15965	0.2
219.10252	0.2
225.09140	0.2
227.07120	0.3
227.10825	0.5
229.08463	0.1
229.12289	0.2
229.15848	0.2
239.10529	0.1
242.09482	0.3
245.11620	0.1
250.09889	0.1
253.12347	0.1
255.13829	0.3
255.17519	0.3
265.12332	1.2
273.18338	0.1
281.15158	0.2
283.13370	1.1
285.20718	0.2
291.13892	0.7
297.14822	0.2
301.14481	0.8
304.65381	0.1
309.14957	3.3
309.18234	0.1
319.17139	0.1
321.18317	0.1
325.14392	0.1
327.15997	0.5
331.17065	0.5
345.17374	0.1
347.20233	0.4
349.17996	0.3
349.21988	0.1
365.20499	0.2
367.19092	0.2
375.19403	0.2
379.19275	0.1
383.18381	0.2
393.20517	0.1
413.23364	0.6
417.66629	0.1
423.21753	0.4
431.24411	0.3
439.21008	0.3
441.22900	1.9
442.23059	0.1
443.20627	0.6
457.22095	0.2
459.23828	4.3
459.30334	0.2
460.24142	0.3
505.28058	2.3
506.28680	0.2
521.25366	0.2
523.26660	0.7
539.26154	0.7
541.28015	100.0
542.28369	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	541.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.5
57.03439	2.6
58.00591	4.2
59.01377	100.0
61.98830	11.9
67.09425	0.8
69.03436	0.9
70.88615	1.6
71.01379	54.9
72.99301	6.7
73.02930	3.3
75.35923	1.0
77.43362	0.9
82.95427	1.2
83.01383	3.7
83.04992	1.0
85.02940	11.2
87.00874	3.5
89.02441	74.1
95.01386	3.4
96.95998	2.3
101.02438	37.8
103.03990	2.0
108.02161	2.0
109.02975	2.2
113.02447	24.6
116.93024	0.9
119.03498	37.3
120.99649	1.2
125.02428	3.1
125.06055	1.4
131.03485	3.2
134.03735	8.3
135.04539	1.3
137.02501	1.0
137.03561	0.9
143.03494	7.8
149.04527	3.4
149.06053	2.5
149.09680	1.3
150.06813	1.4
152.01144	2.2
153.01878	2.6
161.04543	7.1
163.07611	2.8
165.05513	0.9
175.03961	1.1
178.02687	2.5
179.05608	21.3
179.10719	1.5
182.36609	1.2
193.05048	14.2
206.65155	0.9
211.09769	2.5
213.05565	1.9
258.14590	0.8
287.11261	1.2
293.10376	1.3
336.19342	1.8
355.10397	0.9
361.20224	4.1
505.21091	1.1
534.21631	1.0
541.19293	8.4
541.26563	90.7
541.33344	3.1
542.26874	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	540.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.4
61.98828	100.0
70.83672	1.1
81.89778	0.4
83.05023	0.9
88.04021	0.5
97.06620	0.5
99.04515	14.9
100.04880	1.6
101.06087	1.5
116.75560	0.4
116.83195	0.4
117.03479	0.6
119.05058	1.1
121.31614	0.5
123.04563	0.7
125.06116	0.5
145.02937	3.7
145.06564	0.7
149.06075	0.5
161.91385	0.4
163.03992	0.6
258.77652	0.4
267.19577	0.4
303.09323	0.5
402.50095	0.5
413.23495	0.8
417.26474	0.5
440.21796	0.6
458.22586	1.7
481.35565	0.6
505.28314	3.6
522.25891	0.9
526.69214	0.5
540.26776	28.8
540.89667	0.5
541.27863	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	540.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	54.7
60.87001	0.5
61.98830	100.0
69.46056	3.3
71.01388	4.5
73.02954	1.9
83.01395	0.7
85.02943	2.3
87.60879	0.5
89.02470	2.1
98.20682	0.8
99.00906	0.5
100.61102	0.5
101.02438	3.7
113.02466	2.8
119.03529	0.8
161.04633	1.4
170.88272	0.5
202.93393	0.5
307.73093	0.5
373.22256	5.3
373.25919	0.5
391.23373	8.2
433.24402	21.6
434.24561	0.7
498.04178	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95241	0.4
57.03448	0.9
58.00564	0.6
59.01370	0.8
59.11451	0.5
61.95720	0.4
66.66666	0.5
70.26898	0.9
70.27293	0.8
71.01377	1.4
72.00906	10.3
73.02936	0.7
74.02460	1.0
78.95894	1.5
80.93174	0.4
85.02953	5.8
86.03280	1.0
87.00889	1.4
88.03996	0.5
89.17067	0.4
91.05560	0.6
103.05527	1.4
106.75048	0.4
111.00859	1.2
113.02454	0.8
119.05026	0.6
121.02964	0.9
129.01958	3.0
130.02295	1.1
147.04520	37.5
148.04791	0.5
149.02434	8.0
150.03233	12.3
153.05513	0.6
158.92552	0.7
160.03999	0.9
161.02444	0.5
161.04553	2.6
162.03220	0.6
164.04836	4.6
164.07161	100.0
165.05562	33.2
166.05898	0.5
167.03499	0.9
168.03841	0.7
173.00885	0.5
177.05545	0.8
180.04314	1.4
195.06621	14.2
196.06963	1.0
198.04883	0.6
204.03242	0.6
204.08772	0.8
258.46783	0.4
272.95761	0.4
278.50247	0.4
287.56000	0.5
327.07321	0.5
327.10822	14.0
357.11810	0.8
457.61395	0.4
517.32318	0.5
524.12592	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2642
Annotation	(-)-Gypsetin
Peak:m/z	Relative Intensity
55.01870	0.1
57.03448	0.6
58.00591	0.2
59.01377	0.9
61.98814	0.3
66.86346	0.1
67.01890	1.0
68.99812	0.1
69.03461	0.3
71.01378	1.0
71.05018	0.2
71.53455	0.1
72.99289	0.1
73.02944	0.2
79.05525	0.4
81.03447	0.6
83.01356	0.1
83.05028	2.0
85.02945	0.3
85.06573	0.1
89.03976	0.1
93.03457	0.2
95.05029	0.5
97.02946	3.0
97.03593	0.2
97.06587	1.2
98.03741	0.1
98.20354	0.1
99.04515	18.2
100.04844	0.2
106.04230	0.1
107.05029	0.5
109.02954	0.1
109.06581	0.3
110.03730	0.1
111.04520	0.3
111.08157	0.3
113.06100	0.1
115.05499	0.1
119.05038	0.1
119.08674	0.2
121.06592	0.5
123.04514	0.3
123.08179	0.1
124.05301	0.5
125.06097	0.9
125.58568	0.1
126.53876	0.1
127.03989	0.5
129.07103	0.5
133.06596	0.2
135.08154	0.4
137.09723	0.5
139.07657	0.1
141.07117	0.1
143.05040	0.2
144.05745	0.1
144.28763	0.1
145.06583	3.2
145.10208	0.1
147.08151	1.2
149.09688	0.3
151.07632	0.3
151.11266	0.2
153.09201	0.1
157.06602	0.1
157.10228	0.2
159.08147	0.2
161.06082	0.2
161.09705	0.2
163.07608	0.3
163.11279	0.5
165.09192	0.1
165.12842	0.2
168.00894	0.1
169.10217	0.2
170.07394	0.1
171.08154	0.8
173.06206	0.1
173.09747	0.4
175.11243	0.4
177.09196	0.1
177.12814	0.2
179.10710	0.2
183.08124	0.3
183.11748	0.2
185.09671	0.5
185.13335	0.1
187.07664	0.1
187.11246	0.6
189.09195	0.2
193.08694	0.2
193.12283	0.1
193.92960	0.1
197.09633	0.5
199.11259	2.0
200.08388	0.2
201.09186	0.2
201.12851	0.9
203.10736	0.1
203.14394	0.6
209.09720	0.3
210.06848	0.8
211.07646	0.7
211.11081	0.1
212.08304	0.2
213.09242	0.1
213.12973	0.1
215.10689	0.3
217.12317	0.2
221.09790	0.1
224.08345	0.2
224.76816	0.1
225.09189	3.9
225.12576	0.2
226.09831	0.3
227.08511	0.1
227.10750	2.3
227.14232	0.1
229.12320	0.6
237.09210	0.1
237.12912	0.2
239.10741	0.4
241.14369	0.3
243.10263	0.6
245.11887	0.1
251.16508	0.1
253.12320	0.4
253.15913	0.1
255.13907	1.1
257.15518	0.1
263.14206	0.1
265.15927	0.2
267.13861	0.2
267.17621	0.1
271.16937	0.1
277.14542	0.1
278.70935	0.1
281.15436	0.7
283.16910	0.2
289.15912	0.2
291.10077	0.1
291.17166	0.1
293.18948	0.1
295.15454	1.9
299.16406	0.3
303.17435	0.2
307.16968	0.3
319.20816	0.2
321.18591	0.4
329.19016	0.1
331.13342	0.1
331.17169	0.2
333.18478	0.1
347.16452	0.1
347.20023	0.5
351.15854	0.1
351.19794	0.2
363.19604	0.1
365.21146	0.2
369.20746	0.1
373.17648	0.1
373.21716	0.2
377.17453	0.3
391.19199	0.1
393.19125	0.2
403.26294	0.3
411.22040	0.1
413.23306	2.2
421.20062	0.3
437.19766	0.1
439.21194	3.6
440.21426	0.1
457.22278	5.0
458.22583	0.2
477.26086	0.1
493.25653	0.1
495.27557	1.2
503.24161	0.2
521.25403	3.6
522.25415	0.1
539.26440	100.0
540.26782	5.6
540.35394	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	539.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
57.03449	15.1
59.01380	6.5
61.98833	1.5
67.01867	0.8
71.01373	4.7
71.01745	1.6
72.97543	1.0
72.99317	1.0
73.02922	1.1
77.59277	0.7
77.90607	0.7
79.89861	0.6
83.01389	4.6
84.02186	1.8
85.02951	100.0
87.00880	2.5
88.04047	0.8
89.02441	1.2
91.01900	2.5
92.33289	0.7
95.87896	0.7
96.95992	1.9
98.19976	0.6
101.02455	1.6
108.02171	2.0
111.00883	12.5
115.00343	0.9
119.03557	0.8
121.02959	6.9
123.00867	1.9
123.04524	8.5
129.01945	39.7
133.01436	0.9
135.04488	1.1
137.02457	0.8
138.03285	1.7
139.00388	0.9
147.02997	9.5
150.03252	1.0
152.01160	2.6
153.05576	5.2
165.05595	1.0
167.03497	20.0
171.83951	0.8
173.00908	10.9
177.82521	0.7
181.04961	1.0
182.02196	2.0
191.01953	8.4
196.03912	0.8
197.04544	15.4
201.86482	0.9
209.03073	0.9
233.95319	0.9
235.06145	3.1
265.07123	3.5
287.09271	1.9
297.06076	2.5
327.07166	4.7
341.05228	2.5
359.06198	4.1
367.75500	0.7
371.06317	2.7
389.07214	2.7
466.79712	0.9
539.19690	2.2
539.27313	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	539.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.4
55.37351	0.6
57.03453	14.9
59.01373	2.0
67.01924	0.7
71.01381	2.2
72.99309	1.0
73.02947	1.3
83.01392	5.1
84.02168	1.7
85.02952	100.0
86.03291	0.8
87.00888	1.1
91.01908	3.2
108.02171	2.7
111.00880	13.7
121.02939	6.6
123.00875	1.8
123.04528	11.9
124.01643	0.9
127.00379	0.9
129.01945	40.2
138.03238	1.4
139.00395	1.6
147.02986	12.2
152.01166	2.5
153.05544	6.6
154.99902	0.8
160.18881	0.6
166.99818	0.7
167.03494	25.7
168.03810	0.7
173.00900	13.2
182.02180	2.5
191.01991	7.3
196.03821	0.6
197.02885	1.1
197.04561	12.3
209.03023	2.1
222.05319	0.8
235.06087	2.9
237.07712	0.9
265.07144	5.3
297.06110	3.2
327.07242	6.7
341.05234	4.1
359.06247	4.3
371.06161	2.4
389.07141	3.0
554.64166	0.7
561.46613	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26708	0.6
55.01884	1.6
57.03447	13.2
58.00595	0.8
59.01381	15.5
60.01708	0.7
60.39537	0.7
61.98844	4.4
67.01907	0.7
68.99813	0.8
69.86597	2.1
69.86992	1.2
71.01377	8.6
72.83724	0.8
73.02953	4.0
74.74324	0.8
75.00873	1.3
83.01366	5.4
84.02144	1.7
85.02950	100.0
86.03267	1.8
87.00866	2.6
88.98823	5.9
89.02438	5.0
91.01900	1.3
96.96013	2.2
101.02438	7.1
103.00361	1.0
108.02184	3.7
109.02953	1.6
111.00881	10.7
113.02462	2.4
119.03540	1.4
121.02954	8.1
122.03734	3.4
123.00900	1.5
123.04549	4.4
129.01949	18.7
130.99860	1.1
133.03011	0.9
134.03760	1.3
135.04507	2.7
136.01648	1.7
137.02403	0.7
147.02992	11.1
149.02458	7.6
150.03224	22.5
151.03952	0.8
152.01163	3.2
153.05554	5.2
165.05566	26.4
166.02762	1.1
166.06383	0.8
167.03485	10.9
173.00905	5.7
179.03433	0.9
179.05643	1.9
180.04286	2.3
181.05028	1.7
181.08690	1.1
182.02248	1.2
191.01987	10.8
192.04340	1.1
195.06624	13.4
196.03835	0.8
197.04553	13.3
206.15393	0.7
209.03014	1.4
211.05997	0.8
225.07742	1.2
235.06058	4.3
242.05948	1.2
248.92188	0.7
252.12372	0.8
257.08258	1.2
265.07095	2.0
297.06183	2.3
327.07291	2.6
329.14014	2.7
341.05099	1.5
343.14047	4.0
359.06293	1.7
361.51822	0.8
371.06287	1.4
377.12537	2.8
389.07349	3.1
431.68201	0.8
439.75687	0.7
443.10251	0.7
486.74710	0.8
491.19278	27.3
492.09525	0.8
492.20621	1.1
539.21002	7.2
539.28595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08512	0.5
51.67656	0.5
51.90848	0.5
53.43300	0.6
55.01875	2.0
57.03448	15.1
59.01373	2.3
62.36644	0.6
65.00339	0.6
68.99832	0.7
71.01379	3.1
72.99294	1.1
73.02943	0.8
75.00861	0.7
77.26431	0.6
82.61901	0.5
83.01386	5.2
84.02168	1.6
85.02950	100.0
86.03258	0.8
87.00881	1.5
91.01903	2.7
98.20293	3.6
101.02451	1.4
108.02186	1.6
111.00174	0.9
111.00886	12.3
121.02942	6.7
123.00897	2.2
123.04529	10.1
124.01619	0.7
127.00430	0.6
129.01945	43.1
130.02306	0.7
135.04550	0.9
138.03239	2.2
139.00397	1.8
139.04059	0.6
145.01425	0.6
147.03000	10.3
152.01155	2.8
153.05594	5.9
166.99905	0.7
167.03491	22.8
173.00911	10.8
180.78242	0.5
181.05060	0.6
182.02217	3.0
189.92218	0.6
191.01958	6.9
197.04541	15.8
202.86200	0.6
209.03004	0.7
222.05353	0.9
235.06073	3.4
237.07512	1.0
265.07175	5.2
279.04724	0.6
297.06104	2.9
309.06143	0.6
317.44958	0.7
327.07141	5.8
341.05161	4.3
353.75662	0.6
359.06152	4.6
359.09735	0.6
371.06247	1.6
389.07303	3.0
409.12875	0.5
440.54828	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31022	0.6
57.03447	2.5
59.01381	40.8
60.01711	0.9
61.98830	100.0
63.99263	0.6
70.16407	1.4
70.16802	1.7
71.01385	7.5
72.01737	0.8
73.02950	2.7
83.01391	1.1
85.02961	4.0
87.00867	0.6
88.98797	0.8
89.02426	3.1
89.78442	0.7
96.96014	1.2
98.19981	0.9
98.20512	0.9
98.81317	0.6
99.00877	1.0
99.04532	2.1
101.02442	4.3
113.02419	3.2
119.03545	0.9
120.99679	1.4
121.80940	0.6
125.02419	1.2
127.63073	0.6
135.04533	0.9
143.03500	0.8
159.02986	0.6
161.04634	1.0
179.05487	0.7
182.78836	0.5
191.02049	1.0
196.10887	0.6
202.73949	0.7
209.03122	0.7
290.17032	0.7
353.19702	1.7
371.20645	5.3
389.21790	0.6
401.21677	0.9
413.21823	8.6
431.23001	2.0
436.00848	0.6
475.21954	0.9
494.26715	1.0
537.33148	1.5
538.16650	0.8
538.34467	3.1
539.34119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07623	0.4
55.01867	0.5
57.03448	1.6
59.01379	34.6
60.01696	0.4
61.98829	100.0
63.99227	0.4
69.68700	0.9
69.69132	1.4
71.01384	4.7
72.01720	0.5
72.85940	0.4
72.99318	0.6
73.02950	1.7
83.01394	1.0
85.02959	2.8
86.02643	0.3
87.00888	0.6
88.98804	0.6
89.02442	2.0
96.96045	0.6
99.00909	0.7
99.04533	1.7
101.02443	3.9
108.02195	0.4
109.02994	0.7
113.02444	2.4
119.03536	0.9
120.99674	0.6
122.06168	0.5
125.02489	0.5
132.88107	0.4
150.79596	0.4
161.04572	1.2
192.67744	0.3
202.41658	0.4
265.09531	0.4
353.19598	2.4
371.20758	6.7
371.25067	0.6
376.27893	0.5
389.22064	0.7
413.21753	9.5
431.22864	1.5
475.21994	0.8
494.26834	0.7
537.32971	0.4
538.33160	1.5
539.24121	0.9
539.34363	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01720	0.3
61.98836	0.9
71.01379	2.8
73.02952	0.8
82.41622	0.2
83.01387	0.4
85.02953	1.7
89.02466	0.6
96.96019	0.2
99.00893	0.4
99.04535	0.5
101.02437	1.7
113.02424	1.0
119.03461	0.2
121.02959	0.4
125.02445	0.2
126.92951	0.2
149.56696	0.2
161.04558	1.1
209.54475	0.2
276.47070	0.2
313.21948	0.3
315.19818	0.3
357.20840	0.5
477.29129	0.4
493.29822	0.2
495.29819	1.4
537.24689	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	538.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03450	2.3
59.01379	37.2
60.01702	0.7
61.98829	100.0
63.99265	0.4
71.01383	5.6
72.99306	0.4
73.02950	2.0
83.01384	0.8
84.66066	0.4
85.02962	3.3
87.00877	0.7
88.98789	0.6
89.02441	2.7
96.96035	0.5
98.20692	0.7
99.00883	1.0
99.04534	1.4
101.02447	4.5
103.04024	1.1
108.02158	0.5
113.02444	1.9
119.03487	0.8
125.02439	1.0
129.01917	0.4
135.04530	0.5
143.03525	0.6
152.01210	0.6
161.04605	1.2
191.02016	0.7
241.40854	0.4
353.19547	2.3
371.20670	6.9
413.21777	9.6
431.22937	2.4
475.21869	1.2
494.26941	1.3
520.32562	0.4
537.33142	0.9
538.16113	0.6
538.34296	1.8
539.23651	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3068
Annotation	Integristerone A 25-acetate
Peak:m/z	Relative Intensity
59.01377	100.0
60.89217	0.5
61.19779	0.5
61.98827	3.4
63.53682	0.5
69.03482	0.5
69.13798	5.0
69.14219	1.2
83.05019	0.6
88.20760	0.5
99.04510	4.3
100.69482	0.6
105.03461	0.9
111.08131	0.8
121.02960	7.6
125.09735	0.8
132.02112	0.5
133.02939	3.9
150.03189	0.6
160.01662	2.6
161.02483	1.1
171.10265	10.5
175.03987	7.3
193.05107	1.3
209.11914	1.5
211.13458	2.0
233.15491	2.5
249.14894	4.9
287.22501	0.7
385.23962	1.6
403.25122	1.6
445.25943	1.3
459.27472	11.2
463.27005	3.1
477.28555	12.6
478.29562	0.7
537.24677	3.0
537.31354	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	537.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
57.03447	10.7
58.00581	1.4
59.01378	61.0
61.98826	4.6
69.03437	0.7
71.01382	20.2
71.04991	0.6
72.99303	1.8
73.02942	5.0
75.00866	0.6
81.07084	0.7
83.01382	2.3
83.05025	1.9
84.88070	0.5
85.02946	19.0
87.00879	1.7
87.04494	0.6
88.98786	0.6
89.02447	8.6
95.01421	1.3
96.96023	0.9
97.02943	0.8
99.00895	2.2
99.04520	1.2
99.08140	0.6
101.02443	13.4
101.06092	0.5
103.04007	32.9
104.04367	0.6
111.00900	0.6
113.02452	8.8
119.03505	3.1
119.05004	0.6
125.02419	1.7
125.06065	0.8
127.11271	0.8
129.01881	0.8
142.12029	0.6
143.03479	0.9
145.05045	0.7
149.09738	0.5
149.99530	1.0
151.11278	0.8
153.09198	1.2
159.02991	0.9
161.04521	1.7
168.00594	1.9
169.12343	4.6
171.10265	4.2
175.14909	0.9
185.21133	0.5
195.10217	0.9
195.13914	2.1
197.15504	0.5
211.13356	1.5
213.14957	1.9
219.14008	1.2
247.08270	1.7
265.09244	8.1
269.21152	3.1
271.19177	4.8
289.20203	34.0
290.20557	1.0
295.18903	0.7
303.21832	1.7
313.20193	21.0
314.20618	1.3
315.25354	1.7
329.27072	0.6
331.21143	0.7
357.26434	5.2
375.17130	1.3
375.27560	0.9
433.28180	6.9
451.29306	3.3
477.30609	3.4
493.16138	0.6
537.15723	3.2
537.29877	100.0
538.29700	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	537.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38208	0.7
57.03448	10.2
57.93208	0.7
58.92833	0.6
59.01377	57.6
61.98831	3.2
66.99346	0.7
69.20642	5.9
71.01382	18.0
72.99298	1.4
73.02949	4.8
81.07083	1.1
83.01379	2.7
83.05013	2.4
85.02949	17.8
85.86995	0.7
87.00848	1.1
89.02441	7.5
95.01344	1.7
96.95997	1.0
98.19925	1.2
99.00920	1.5
99.04503	1.4
101.02438	12.5
103.04008	28.4
104.32920	0.6
113.02437	6.9
119.03475	2.6
124.01619	1.1
125.02421	1.6
125.06058	1.0
127.11240	1.3
129.09204	0.9
151.11278	1.0
153.09227	1.1
159.02921	0.7
161.04562	1.8
168.00635	1.7
169.12326	4.2
171.10257	5.0
195.10147	1.3
195.13815	1.9
205.12215	0.8
211.13281	1.4
213.14935	0.8
219.13924	1.2
221.72687	0.7
247.08246	1.4
265.09268	10.8
269.21170	2.1
271.19171	4.9
281.24683	0.8
289.20175	32.7
290.20432	1.2
303.21576	0.8
313.20206	21.2
315.25244	1.2
331.21075	1.1
351.31372	0.6
357.26419	3.9
375.17084	0.7
375.27429	1.2
433.28055	8.3
451.29089	3.8
477.30731	2.8
537.29694	100.0
538.28131	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	537.2494
Annotation	Euphoscopin F
Peak:m/z	Relative Intensity
53.12435	0.6
59.01379	14.5
61.98539	0.9
61.98834	14.9
71.01349	0.5
72.22842	0.5
77.03970	0.7
78.95905	0.6
79.05511	0.7
84.40858	0.5
86.15012	0.7
88.57640	0.6
96.96062	0.6
98.20489	3.0
99.04514	2.6
105.03461	1.6
116.05643	0.5
119.05044	0.8
121.02958	75.2
122.03276	1.2
129.07103	0.6
129.45946	0.5
132.02177	0.8
133.02963	10.7
133.06664	0.7
134.03757	5.7
135.04520	2.2
137.02414	1.9
146.97697	0.6
147.08168	1.2
152.91177	0.6
160.01639	5.9
161.02422	3.5
161.09705	1.3
175.04005	12.9
177.01825	0.7
178.02707	1.6
179.03430	2.0
183.08145	4.2
192.91797	0.6
193.05080	3.4
209.09674	4.1
211.11285	2.0
223.11150	0.8
237.12802	4.1
238.78142	0.6
241.14520	1.1
246.01328	0.6
287.22278	2.1
295.15460	1.8
431.24652	1.4
445.26221	2.7
451.24823	16.3
452.25467	1.0
463.26904	8.0
477.22794	13.2
478.22974	0.8
495.23901	67.3
496.24191	4.8
519.23724	2.0
522.28192	0.9
537.24811	100.0
537.30896	17.7
538.24860	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	537.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03448	3.6
59.01379	93.4
60.01715	0.3
61.98844	0.3
65.58937	0.1
67.01876	0.8
67.56498	0.1
69.03453	0.9
71.01372	0.6
71.05037	0.6
72.08290	0.1
73.02973	0.1
73.79101	0.1
80.02654	0.2
81.03454	1.5
83.05026	5.0
84.02179	0.4
85.02943	2.9
85.06603	0.1
93.03457	0.4
94.44767	0.1
95.01420	0.1
95.05024	4.7
97.02967	0.6
97.06581	0.8
98.03762	0.5
99.04518	100.0
100.04851	1.1
107.05026	0.4
108.02176	0.3
109.02950	4.7
109.06592	0.9
111.00885	0.1
111.04521	2.4
113.02443	1.0
113.06088	4.1
119.08687	0.8
121.02937	0.4
121.06600	0.5
122.03735	0.5
123.04527	1.0
123.08164	0.4
125.02494	0.2
125.06110	0.6
127.04014	2.0
127.07658	0.8
133.06592	0.3
135.08163	0.9
137.06088	0.5
138.06807	0.2
139.07631	0.4
141.05582	3.6
142.02722	0.2
143.05217	0.1
144.05804	0.4
145.06573	1.6
147.08154	0.3
149.06081	1.1
151.03902	0.1
151.07639	0.2
153.05600	0.1
155.07135	1.3
157.06544	0.4
158.07283	0.2
159.04536	0.2
159.08113	0.6
159.33714	0.1
161.06113	0.2
161.09642	0.2
163.07642	0.4
167.07104	0.7
169.05070	0.5
169.06506	0.1
170.07411	0.3
171.08107	0.8
173.06067	0.5
173.09631	0.2
175.11206	0.2
181.08730	0.5
183.08170	0.7
184.08926	3.2
184.10507	0.3
185.06006	0.2
185.09702	0.6
187.07556	0.2
187.11266	0.4
193.12326	0.3
194.07394	0.2
197.06102	0.6
197.09692	0.3
198.06836	0.2
199.07639	0.6
199.11253	1.4
200.08392	0.2
203.10799	0.6
209.07990	0.8
209.09792	0.4
210.06815	0.1
211.07643	0.9
211.11177	0.1
212.08412	8.1
213.09203	0.9
215.07034	0.4
215.10732	0.4
217.12383	0.2
221.11832	1.1
223.07497	0.2
225.09239	0.3
226.06348	2.0
227.10764	85.5
228.11105	2.4
229.12296	0.1
239.10773	0.4
241.12389	0.3
243.06628	1.5
243.10294	0.3
249.09015	0.2
249.11278	1.6
250.06364	0.5
251.10818	0.2
253.12178	0.2
254.09657	0.2
255.10216	0.2
255.13811	0.2
258.05222	0.2
263.10681	0.2
264.11551	0.3
265.08661	1.6
265.12241	0.4
267.10184	0.2
267.13864	1.1
269.11789	0.3
271.09814	0.2
275.14215	0.1
277.12262	0.3
278.09491	0.3
279.10257	1.1
279.13858	0.8
280.11081	0.7
281.11832	3.1
281.15140	0.3
282.12302	0.2
283.13675	0.3
285.15042	0.3
285.38214	0.1
291.13950	0.5
292.11090	0.4
293.11920	1.4
293.15186	0.2
294.12531	0.4
295.13342	1.5
297.11761	0.2
297.14899	0.7
299.16592	0.1
304.10895	0.2
305.11929	0.8
305.15060	0.2
307.09775	0.4
307.13409	0.9
307.16974	0.4
309.14966	1.0
311.12872	0.2
313.14542	0.8
315.13934	0.3
317.11755	0.1
317.15579	0.2
318.12735	0.2
318.16183	0.4
319.13324	1.5
321.11301	0.5
321.14877	0.3
322.12122	1.5
323.12744	0.5
323.16235	0.2
325.14368	0.4
327.15955	1.3
331.17007	1.1
333.14844	0.7
333.18600	1.6
335.12836	0.1
335.16479	0.3
336.13733	1.0
337.14423	6.9
338.14679	0.2
347.12881	0.2
349.14478	0.2
349.18112	0.8
351.15976	6.1
351.19589	0.4
352.16470	0.3
356.72653	0.1
359.16620	0.2
361.14536	0.2
362.15173	0.8
364.12909	0.2
365.13586	0.2
365.17709	0.3
367.15338	0.4
367.19479	0.2
376.16666	0.4
377.17554	10.7
378.17911	0.6
379.15460	1.7
391.19104	2.1
393.21021	0.2
395.18591	10.2
396.18774	0.5
409.20157	3.3
410.20682	0.2
413.19577	0.6
419.18527	0.5
431.22241	1.6
437.19623	5.6
438.19791	0.2
448.89243	0.1
451.21228	0.2
477.23050	0.2
537.24994	2.5
537.32983	0.3
538.25037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2336
Annotation	Ixerin N
Peak:m/z	Relative Intensity
55.01927	3.5
57.03502	2.8
58.00657	1.8
59.00968	1.7
59.01115	3.4
59.01436	47.3
61.01828	0.6
61.98888	2.8
66.39581	0.5
68.98371	0.5
71.01020	2.1
71.01450	32.9
71.02800	0.7
72.99378	1.6
73.02949	9.3
83.01387	6.2
85.02950	17.3
87.00889	3.3
89.02445	16.1
93.03542	2.0
95.01471	2.3
97.02992	0.8
99.00876	3.2
101.02444	25.0
103.04005	4.8
107.01437	0.6
109.02964	5.7
111.00938	0.9
113.01715	0.5
113.02450	12.6
119.03512	7.4
119.05060	0.8
121.02955	33.1
122.03769	4.4
123.04633	1.5
124.01754	0.5
125.02511	0.8
129.01990	0.8
129.03583	0.6
131.03572	0.7
134.03844	0.9
135.04626	2.3
137.02550	0.5
143.03575	1.0
146.03766	0.9
147.04518	6.6
150.86353	0.5
151.00487	1.5
152.00932	0.7
154.02846	0.8
159.03049	1.1
159.95236	0.5
160.05388	0.6
161.04634	4.2
161.06151	2.6
164.04842	1.4
165.05565	25.1
173.06163	0.7
178.06424	0.7
179.05675	0.7
179.07111	6.6
184.16910	0.5
206.21855	0.5
237.11319	0.9
265.09183	1.3
271.19363	0.7
277.99039	0.6
282.09189	0.6
287.05539	0.6
289.20303	2.2
297.11346	0.8
312.13779	2.5
313.20239	1.8
325.67249	0.5
327.15945	1.0
329.13889	2.4
330.14609	0.8
342.14783	1.8
343.15494	0.6
357.13123	0.5
357.16876	2.8
360.15790	19.8
361.16507	3.0
375.18100	86.3
376.18454	3.3
477.30432	2.3
493.26257	2.0
522.21271	1.0
537.23212	100.0
537.30817	10.4
538.23547	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	537.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.6
58.00584	1.1
59.01088	0.7
59.01376	19.6
61.98811	1.6
68.06995	0.7
69.45067	5.1
71.01379	8.8
83.01345	0.9
84.71525	0.8
84.84636	0.7
85.02949	12.2
87.00858	1.3
89.02446	11.9
89.77518	0.8
95.01391	1.3
98.19937	1.5
98.20586	1.9
99.26084	0.7
101.02448	6.9
101.15861	0.8
103.04011	17.8
113.02458	4.8
119.03491	5.8
134.74532	0.9
139.07619	3.8
151.07599	1.8
161.89630	0.8
179.05556	1.1
179.10680	2.3
196.20732	0.8
209.11813	1.6
265.09265	100.0
266.09607	2.9
271.11899	11.3
318.93237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92201	0.9
57.03446	6.2
58.00589	1.0
59.01378	12.8
59.05266	1.0
60.06378	0.8
61.98820	1.9
62.08865	0.8
71.01379	7.0
71.54401	1.5
72.99300	1.0
73.02946	3.2
75.00896	1.0
83.01383	2.1
84.02181	1.0
85.02948	37.7
87.00861	1.0
88.98830	1.6
89.02462	4.1
96.95999	2.4
101.02445	4.4
109.02936	1.1
111.00895	2.6
113.02456	1.5
115.00404	1.1
118.57072	0.9
119.03485	0.8
121.02959	1.4
122.03667	1.1
122.06100	2.7
125.02457	1.7
129.01959	4.3
133.01295	0.9
134.06094	1.1
136.01691	1.7
146.06111	1.3
147.03053	9.6
147.04239	1.4
148.04106	1.2
149.02419	2.5
150.03209	8.3
150.05547	1.0
151.03979	3.0
157.67307	0.9
160.04015	5.2
161.04733	3.4
162.05585	2.4
164.04796	1.4
164.07185	1.8
165.05573	8.7
167.03552	0.8
173.00896	1.4
175.02664	1.6
176.03564	2.1
178.04956	0.9
179.05713	1.0
179.07202	1.6
188.03465	1.1
189.04286	4.8
190.05038	3.4
191.01964	12.4
195.06635	6.9
202.04820	1.0
204.06642	1.6
213.10353	1.2
215.12000	0.9
217.03764	1.1
218.04611	1.0
219.05350	2.5
220.06131	3.1
225.10530	0.9
227.11967	1.1
229.13408	3.1
239.08226	2.0
241.09760	3.4
247.04874	6.6
248.05594	4.0
251.12048	1.2
253.09738	2.6
254.06941	1.1
254.10461	1.6
255.11343	2.2
256.08398	1.1
257.09180	1.2
267.06610	0.9
267.11377	3.5
269.09427	1.7
269.12891	5.0
270.09085	1.1
278.06741	2.1
279.07687	2.8
280.08585	1.8
281.09058	1.4
283.07440	1.5
283.10898	2.9
285.12045	3.2
287.10410	0.9
287.14127	4.4
293.09317	1.2
294.10016	1.6
295.10907	5.3
297.08725	3.2
297.12088	2.0
299.10352	4.0
301.11978	0.9
309.12616	1.0
311.10376	2.3
312.10236	1.6
313.11884	4.8
315.09753	1.3
327.09015	1.3
327.12711	6.7
331.12741	1.3
341.11227	1.5
343.13062	1.8
345.13870	2.0
353.11331	4.2
357.13501	2.0
365.11276	1.1
371.12244	4.8
375.15265	1.1
385.14267	1.1
387.11755	1.8
389.13507	0.9
397.10153	1.4
403.15106	3.2
415.11456	1.6
417.12921	5.7
429.13049	2.3
447.14059	100.0
448.14536	4.3
459.13889	7.3
477.15228	8.6
477.23380	3.5
483.13995	1.2
501.15231	4.1
519.16010	3.0
537.17273	39.9
537.25061	2.4
538.17596	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93505	0.8
52.30771	0.9
55.01876	1.3
57.03448	4.8
59.01383	10.5
61.98816	3.2
67.39404	0.9
71.01379	5.2
71.53773	1.2
72.99305	2.2
73.02937	2.7
75.00869	1.5
83.01392	1.0
85.02953	37.0
86.50674	0.8
87.00844	1.0
88.98801	1.5
89.02437	2.8
96.96002	1.6
101.02422	3.1
109.02953	2.7
113.02439	1.4
113.99940	0.8
116.92841	1.2
119.03447	1.6
122.06123	4.9
123.04536	1.0
125.02444	0.9
129.01955	4.5
136.01660	1.1
139.72333	0.8
143.99550	0.8
146.03729	0.9
146.06094	1.4
147.03038	7.9
148.04051	1.5
150.03249	2.5
150.05667	1.2
150.24794	0.9
151.03992	3.6
154.93806	0.8
160.04057	5.7
161.04745	3.2
161.06065	0.8
162.05618	3.0
165.05574	1.6
175.02725	1.4
176.03568	1.0
180.17517	0.9
188.03374	1.3
189.04269	3.4
190.05083	2.4
191.01967	11.6
191.07188	1.6
192.02943	1.0
193.05067	1.0
195.06555	1.1
204.06732	1.2
208.06198	0.9
211.08759	1.0
213.10344	1.1
215.11816	2.1
219.05348	3.6
220.06151	3.8
225.10419	1.1
226.12320	1.9
227.08267	1.6
227.11855	1.2
229.03780	1.4
229.13428	3.7
231.05377	1.0
232.06213	1.4
239.08250	1.8
239.11798	1.5
240.08945	1.1
241.09798	4.0
241.13429	1.2
247.04889	5.7
248.05569	3.1
251.07941	1.4
252.08835	1.6
253.09740	2.7
254.06853	1.0
254.10605	2.6
255.07973	1.5
255.11374	4.8
257.09268	1.9
257.12949	1.8
259.04834	1.5
267.11447	3.6
269.09485	1.6
269.12912	5.8
278.06659	1.5
279.07397	3.9
280.08545	2.2
281.09106	1.5
283.07294	1.3
283.10696	2.0
285.08801	1.1
285.12332	3.1
287.13950	5.0
293.09299	1.0
294.10068	1.4
295.10904	6.5
297.08701	2.0
297.11636	2.2
299.10413	4.7
311.10361	3.0
312.10284	1.9
313.11728	4.2
315.09558	1.0
315.13400	1.2
325.11813	1.9
327.12546	12.1
341.11362	1.7
343.13168	1.8
345.13611	2.2
353.11423	4.9
365.11362	1.1
369.10791	1.1
371.12476	4.9
375.14966	1.3
384.78671	1.0
387.11969	2.7
397.10275	1.3
403.14929	4.2
415.11148	1.5
417.13104	8.9
429.12921	2.2
447.14069	100.0
448.14447	3.7
459.14124	9.3
468.64240	1.0
477.15118	12.0
483.14087	3.5
501.14871	6.5
519.16064	3.9
537.17291	50.5
537.24945	2.6
538.17944	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.0
57.03450	11.9
58.00571	0.5
59.01379	13.3
61.98815	2.0
68.31391	0.3
68.99813	1.0
70.11221	0.4
71.01383	8.8
71.54138	0.6
72.99289	2.1
73.02937	1.9
74.02467	0.7
75.00881	4.2
75.06987	0.4
83.01392	4.9
84.02164	2.4
85.02950	100.0
86.03281	0.5
87.00885	1.5
88.98815	1.0
89.02462	2.8
96.95986	0.6
99.00906	0.5
101.02455	3.3
103.00388	1.7
111.00883	6.1
113.02441	0.8
115.00371	1.6
116.92850	1.4
119.03478	0.9
123.04517	0.5
129.01939	9.2
131.03484	0.4
133.01468	0.4
145.01448	0.7
147.02994	19.6
153.01933	1.2
161.04556	0.5
161.06102	0.5
173.00940	2.3
181.41295	0.4
191.01974	40.6
192.02287	0.6
196.63368	0.4
209.02934	0.6
241.05112	1.0
253.05016	0.4
256.07468	0.5
268.07346	0.5
297.04276	0.5
300.06458	0.6
315.08661	1.8
327.05359	0.5
327.08838	1.1
345.09698	1.7
357.09808	1.4
375.27365	0.5
415.85153	0.5
475.17429	0.6
537.13361	2.6
537.19965	1.6
537.25452	1.2
537.32867	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	537.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.5
57.03448	13.4
58.00587	0.4
59.01381	9.5
61.98830	1.0
67.41873	0.3
68.99823	0.5
71.01381	4.5
72.99302	1.0
73.02938	1.5
75.00851	1.5
83.01380	3.2
84.02158	2.6
85.02950	100.0
86.03289	0.6
87.00876	1.3
89.02446	1.5
96.96010	0.7
99.00884	0.5
101.02434	1.9
103.00363	1.7
103.04005	0.4
111.00879	3.4
113.02446	0.7
115.00345	0.8
119.03527	0.6
129.01944	10.2
147.02995	20.2
150.03284	0.4
163.02589	0.3
165.05589	0.6
173.00882	2.4
177.01866	0.4
191.01967	27.7
192.02220	0.3
195.06697	0.4
224.64885	0.4
241.05048	1.2
253.05098	0.4
280.50888	0.3
297.04214	0.4
300.06360	0.6
315.08521	1.4
327.08713	1.2
327.12378	0.5
345.09787	0.4
519.11810	0.5
537.12646	3.7
537.19989	0.7
537.26019	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45516	0.5
55.01889	0.6
57.03448	1.8
59.01381	55.8
60.01712	0.8
61.98830	100.0
64.05087	0.5
69.20701	4.7
71.01381	11.1
71.79099	0.5
72.01730	0.8
72.99329	1.2
73.02943	3.5
80.93706	0.5
81.29818	0.5
83.01396	1.8
85.02946	4.4
87.00889	1.1
88.98826	0.6
89.02453	8.3
95.98698	0.5
98.20697	1.2
99.00896	1.5
99.04526	1.4
101.02439	9.1
101.03091	0.6
102.02806	0.9
103.04051	0.8
106.35641	0.5
109.04142	0.5
109.38358	0.5
112.98657	0.5
113.02449	6.0
113.03154	0.6
118.56361	0.5
119.03507	3.5
125.02453	0.9
129.05635	1.5
132.33504	0.4
143.03519	0.5
161.04591	2.4
168.78598	0.5
175.44756	0.5
179.05647	0.5
207.13947	0.6
209.02988	0.5
225.15013	1.2
258.12192	0.7
341.89777	0.5
342.09720	0.6
344.12082	1.1
356.25357	0.7
358.14432	0.8
359.14594	1.6
369.19232	11.6
369.23679	0.8
373.16592	1.5
374.16782	4.0
387.20181	7.7
429.21249	12.7
430.21542	0.7
518.30566	0.7
535.31445	5.2
536.16241	0.9
536.31854	18.7
537.24640	0.9
537.33014	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	536.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
59.01380	65.7
60.01715	0.9
61.98830	100.0
71.01383	11.6
71.53786	1.0
73.02949	6.9
79.58592	0.5
83.01391	2.3
85.02959	6.7
87.00893	1.0
89.02445	6.8
95.01395	1.4
96.95993	2.0
101.02448	10.9
110.99992	0.7
113.02454	6.1
119.03493	4.9
123.04603	0.9
131.03568	0.8
135.04504	1.0
143.03557	1.3
149.04544	1.0
159.03180	0.6
161.04549	3.6
179.05585	1.3
185.91220	0.7
195.14044	0.8
247.32913	0.6
330.14133	0.9
369.19122	14.1
376.61383	0.7
387.20282	10.1
429.21265	22.1
430.21661	1.1
464.43530	0.7
471.57782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.1
59.01379	100.0
60.01709	4.7
61.98831	89.4
71.01384	20.9
73.02942	11.7
83.01416	2.6
85.02955	9.8
89.02445	11.1
89.57684	1.8
99.04511	2.6
101.02446	16.0
113.02413	7.8
119.03493	4.3
126.18028	1.8
161.04515	6.7
209.11833	4.1
210.12167	3.4
225.14871	4.6
230.35086	2.8
255.35687	2.0
257.55627	2.2
269.13837	10.4
270.14307	16.9
282.71799	1.8
369.19232	22.4
387.20258	16.9
429.21356	30.1
430.21454	2.2
492.21710	13.3
492.26608	3.0
536.23535	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15428	0.6
59.01380	100.0
60.01723	0.7
61.98838	3.0
74.06237	0.7
83.76433	0.6
121.02937	0.7
123.04545	1.3
154.06752	0.7
221.69138	0.6
373.58078	0.7
399.32706	2.5
423.30109	0.7
475.37854	5.7
528.53839	0.8
535.29840	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	536.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71858	0.3
52.39486	0.3
55.01879	0.7
57.03452	1.5
59.01379	59.0
60.01698	0.5
61.98830	100.0
64.24539	0.3
67.68914	0.3
71.01386	7.8
72.01729	0.5
72.99304	0.4
73.02940	3.4
74.95728	0.3
79.24168	0.3
83.01385	1.4
85.02945	4.6
86.03275	0.4
87.00916	0.6
89.02447	3.6
92.92712	0.4
95.01392	1.0
99.00894	0.6
99.04514	1.0
100.04859	0.4
101.02451	5.1
102.02753	0.4
103.03963	0.5
113.02462	4.9
119.03502	1.7
125.02441	0.9
129.01926	0.4
135.04561	0.7
136.04900	0.4
143.03526	0.6
151.00360	1.0
152.00995	0.3
161.04579	1.7
174.45079	0.4
179.05515	0.6
189.12891	0.4
197.52267	0.3
225.14919	1.1
229.33946	0.4
252.01671	0.4
265.09323	0.5
271.06070	0.5
287.08582	0.7
288.06039	0.9
302.11002	0.8
319.12833	0.4
359.14328	0.4
369.19162	9.7
374.16617	0.4
387.20221	7.9
429.21280	14.9
430.21127	0.4
433.37781	0.4
434.24524	0.4
473.20087	0.6
492.25140	0.9
514.38702	0.4
536.21918	1.3
536.32581	0.6
537.32214	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61142	0.5
59.01379	100.0
59.36060	0.6
61.98830	6.8
71.52514	0.9
73.02957	0.5
85.02969	1.3
90.07192	0.5
92.06614	0.5
96.96007	0.9
110.27435	0.5
121.02956	1.9
133.43884	0.5
259.34534	0.5
305.64499	0.5
345.24878	0.6
375.29309	1.1
387.32861	0.7
475.37967	11.2
535.30872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48227	0.5
55.01884	2.1
57.03450	3.2
58.00585	1.1
59.01379	49.7
61.98818	2.9
63.02400	0.8
64.55109	0.5
65.00331	3.5
71.01380	30.3
71.30847	0.8
72.99321	1.8
73.02950	10.6
83.01385	7.3
83.05030	1.9
85.02951	17.3
86.00100	0.5
87.00903	1.7
89.02445	15.0
95.01393	2.7
96.96023	0.8
99.00896	2.2
99.04539	1.3
101.02438	21.3
103.04012	11.2
107.01397	8.1
108.02202	1.1
109.03003	1.6
111.00872	1.2
113.02446	10.7
113.03146	0.8
116.92908	1.1
119.03527	5.5
123.59818	0.6
125.02467	2.7
125.06059	0.7
135.04523	27.5
136.04901	0.6
143.03505	0.7
151.00365	45.6
152.01158	1.9
153.01949	1.0
161.04607	2.3
169.01270	0.6
209.11964	0.7
225.15044	1.3
227.12921	1.6
243.16156	1.7
265.09262	4.6
267.16000	0.6
269.14243	0.7
287.05591	38.7
287.15106	2.7
287.18451	1.1
288.06189	1.4
305.55698	0.6
307.10300	5.3
329.27106	1.1
337.23837	0.9
343.11932	1.0
355.24994	2.1
358.14740	0.7
373.16721	1.3
379.98318	0.6
391.19913	1.8
433.20782	1.4
475.29071	1.0
491.12021	7.2
491.25082	4.8
517.29950	3.0
535.25098	7.5
535.31519	100.0
536.31903	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	535.3121
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
55.01881	0.7
57.03450	2.3
58.00595	1.1
59.01379	44.7
61.98822	1.1
69.64303	1.9
70.09901	0.3
71.01379	17.7
71.05050	0.3
72.99303	2.0
73.02943	2.6
83.01392	2.2
83.05033	0.5
83.25690	0.3
85.02949	7.3
87.00887	2.0
89.02444	15.3
95.01388	1.6
98.19952	0.4
99.00897	0.7
99.04549	0.6
101.02439	13.0
103.04032	0.8
113.02444	7.1
113.69694	0.3
119.03500	5.6
125.02470	0.4
131.03487	0.3
143.03503	0.4
148.44666	0.3
161.04587	0.8
169.12405	0.4
171.10326	0.4
179.05615	1.1
185.62683	0.4
211.17049	1.7
235.20659	0.7
254.49197	0.3
265.09305	1.1
269.17654	0.4
287.15701	0.5
287.18594	2.4
295.23233	0.4
329.26920	1.4
337.23816	0.5
355.24796	2.9
431.24316	3.1
449.27582	0.5
491.24994	0.6
517.30389	2.3
535.31287	100.0
536.31549	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	535.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13664	0.9
55.01880	1.8
57.03453	7.4
58.00592	0.9
59.01380	100.0
61.98827	5.2
68.99561	1.8
69.03447	1.0
71.01018	1.4
71.01385	23.6
71.05022	3.0
72.99323	1.2
73.02943	8.9
75.00870	1.0
75.70553	0.8
81.03425	0.9
83.01396	4.1
83.05028	1.3
83.74105	0.9
84.75829	0.7
85.02954	24.8
85.03474	1.9
85.06589	1.5
87.00880	2.2
88.98795	3.6
89.02445	10.0
95.01378	2.4
97.02937	1.0
97.06561	2.0
98.19875	1.9
99.00862	2.5
99.04496	2.7
101.02443	18.8
101.06055	3.4
103.04014	35.1
109.06519	1.3
111.08212	4.7
112.98566	1.7
113.01733	0.9
113.02448	11.0
115.07614	2.8
119.03469	2.8
123.04556	1.5
125.02407	2.5
125.09673	1.0
127.11256	1.1
129.01909	0.9
137.35721	0.7
143.03467	1.2
143.10657	0.8
151.11324	0.8
153.09193	4.0
161.04561	5.1
167.10725	2.8
171.10231	7.9
179.94423	0.8
183.14003	1.8
191.14381	1.0
195.10181	1.5
207.17555	6.2
209.15373	1.2
213.11264	2.5
219.39926	0.8
225.18513	1.2
229.14426	7.1
229.25752	0.9
247.08127	1.0
251.16537	30.6
253.14488	4.7
265.09283	11.1
267.19669	2.2
269.17581	35.9
270.17896	1.6
285.24374	1.3
287.18637	56.1
288.18927	1.4
293.17389	1.5
301.20242	4.1
307.10257	1.9
311.18738	5.9
313.23798	2.7
329.19614	3.8
331.24817	5.4
331.28372	1.5
373.25824	1.1
378.96848	0.9
389.21884	2.3
419.19156	20.2
433.25034	0.9
449.23370	2.4
475.28082	3.1
475.32709	8.2
477.23434	13.1
491.24698	2.4
493.29877	14.3
517.26532	15.9
518.26520	1.1
535.28687	90.4
535.30127	93.3
536.30750	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	535.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12430	1.1
55.01862	2.4
57.03450	10.6
57.70194	1.3
58.00587	2.0
59.01379	100.0
61.98825	4.8
69.50415	6.0
71.01379	30.7
72.99313	2.8
73.02942	11.7
83.01389	6.3
83.88670	1.0
85.02946	23.7
87.00865	3.5
89.02448	13.8
95.01353	2.7
99.00867	3.8
99.04500	2.1
100.93631	1.2
101.02437	20.7
103.04008	19.0
111.08196	2.4
113.02454	11.9
115.03967	2.3
116.92883	2.8
117.05556	2.4
117.54767	1.2
119.03498	3.3
125.02480	1.8
127.11244	1.7
129.05594	1.8
143.03531	1.4
149.09698	1.6
153.09195	6.5
161.04536	5.0
167.10754	4.6
171.10239	16.5
185.11830	1.3
195.10196	2.3
211.13396	2.0
213.11285	5.4
221.12000	1.0
265.09238	7.8
287.18311	1.4
287.22009	1.9
306.07605	1.6
307.10431	2.7
321.76727	1.1
337.23895	1.2
355.24899	9.7
373.21887	1.9
373.26080	2.7
419.19153	20.8
431.26526	29.2
449.27579	13.2
459.22324	2.9
475.29208	2.9
477.23404	7.3
499.24985	2.2
517.26398	10.8
535.31982	93.0
536.31390	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	535.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
57.03450	5.1
58.00594	1.0
59.01377	50.2
61.98829	1.8
69.03496	0.4
69.75822	0.4
71.01379	17.1
71.05016	0.6
72.99319	1.2
73.02946	20.8
83.01381	7.7
85.02946	23.9
87.00907	1.3
87.04509	4.3
89.02445	7.1
95.01405	0.7
97.02950	0.5
99.00881	0.6
99.04527	1.4
101.02436	16.1
103.04008	46.9
107.57427	0.4
111.00889	0.6
113.02454	6.6
119.03455	2.7
123.04519	0.5
125.02490	0.6
131.03494	1.2
139.11346	0.5
141.09283	0.5
143.03519	1.2
145.05127	1.8
147.02946	0.5
161.04626	1.3
202.36665	0.5
209.11848	0.9
225.15039	1.0
227.12895	2.8
227.16608	0.7
243.16187	0.4
247.08205	4.9
265.09268	23.6
266.09674	0.5
269.13968	1.7
270.93140	0.8
287.15167	3.9
287.18784	5.9
304.11990	0.5
307.10318	35.8
308.10577	1.2
331.12991	2.8
343.15607	0.9
384.21173	0.5
475.22241	0.8
491.25296	1.5
517.26715	0.9
535.27832	100.0
536.28162	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	535.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86211	0.5
55.01885	0.9
57.03452	7.9
58.00591	1.4
59.01378	82.7
61.98829	7.9
71.01381	27.5
71.05008	1.4
72.01746	0.5
72.99326	1.7
73.02945	29.6
73.07225	0.4
75.00888	1.3
83.01385	9.3
83.01824	0.6
83.05051	2.0
85.02948	36.3
87.00903	2.0
87.04517	4.8
89.02445	12.1
95.01411	1.0
96.95995	0.6
97.02977	0.9
99.00871	0.8
99.04521	3.1
101.02445	26.7
103.04012	60.8
105.56172	0.5
106.06647	0.5
106.63738	0.6
113.02446	9.5
113.03143	0.7
117.05608	1.4
119.03512	5.5
119.04224	0.5
119.17226	0.5
123.08202	0.7
124.07793	0.7
125.02503	0.6
131.03543	1.8
135.04581	0.8
139.11360	1.1
143.03575	1.5
145.05157	2.2
146.51907	0.5
147.04599	0.7
149.06186	0.6
157.05125	1.4
161.04625	2.5
165.12891	0.7
167.10858	0.7
179.05640	1.1
189.12851	0.5
207.14044	1.8
209.11850	2.8
225.14935	3.8
227.12881	8.2
233.12003	0.6
243.16074	2.6
247.08209	7.3
251.13087	0.8
256.41272	0.5
265.09271	30.1
267.16241	0.7
269.13950	3.8
287.15298	12.8
287.18942	5.9
288.15182	0.6
293.14346	0.5
293.17755	0.8
307.10324	40.7
308.10934	0.6
313.20465	1.3
329.16382	0.8
331.12967	5.2
343.15430	2.6
375.20490	0.7
389.18512	1.0
431.24774	0.6
449.20923	1.4
475.22873	1.3
491.25119	7.1
517.24164	2.0
535.12335	2.4
535.28253	100.0
536.28711	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	535.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
57.03450	7.0
58.00594	1.5
58.41249	0.5
59.01381	76.5
60.01743	0.7
61.98834	6.2
68.75565	0.5
69.03468	0.9
71.01380	24.4
71.05029	1.2
71.54111	0.6
72.99290	0.7
73.02946	25.3
75.00903	0.7
81.03492	0.6
83.01385	11.7
83.05053	1.9
85.02951	33.1
87.00922	2.1
87.04523	4.8
88.04052	0.6
89.02446	11.7
95.01435	1.8
96.96054	0.9
97.02931	0.8
97.06588	1.0
99.00922	1.8
99.04492	2.8
101.02442	22.6
101.06127	0.9
103.04012	58.6
111.00925	0.5
113.02451	9.0
113.03165	0.7
117.05648	1.6
119.03509	4.0
125.02509	1.0
131.03563	1.2
134.03842	0.6
143.03552	1.3
145.05177	2.2
152.07263	1.0
157.05127	0.9
161.04724	1.7
162.24062	0.5
164.14796	0.5
179.05699	0.8
207.14133	1.6
209.12036	1.6
225.15007	3.7
227.12894	9.1
227.16585	0.7
243.16281	1.6
247.08231	5.2
251.13045	0.7
265.09290	28.7
266.10120	0.8
269.14072	3.7
287.15335	12.6
287.18942	6.0
307.10324	37.4
308.11063	1.2
313.20425	1.4
331.13007	5.6
343.15967	1.9
359.17337	0.7
370.45801	0.6
389.18811	1.8
431.24814	0.6
449.20972	1.9
475.22681	0.9
491.18130	1.1
491.24832	4.8
505.92123	0.7
517.23541	1.1
535.28259	100.0
536.28589	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	534.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
61.98830	100.0
65.25519	0.2
69.56941	1.4
70.45624	0.2
78.95943	0.7
97.76978	0.2
98.20605	0.4
99.04610	0.2
107.51994	0.2
119.07896	0.2
146.87669	0.2
152.99562	1.1
159.64987	0.2
165.30582	0.2
180.46918	0.2
240.65349	0.2
275.72598	0.2
278.53201	0.2
365.69092	0.2
447.21320	0.4
471.20480	0.6
534.25208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.98830	100.0
68.16060	0.3
69.05626	0.3
80.41142	0.3
98.20171	2.0
137.49490	0.3
223.61601	0.3
229.17844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49039	0.5
57.03436	2.4
58.00583	1.3
58.02947	0.8
58.44301	0.5
59.01379	44.5
60.01702	1.3
61.98831	6.1
69.72767	2.6
71.01385	18.4
72.99287	1.6
73.02942	3.8
74.02469	1.7
76.32385	0.6
79.18414	0.6
82.02974	0.6
83.01381	3.1
85.02949	9.4
86.02471	0.9
87.00877	1.1
87.05653	0.6
88.04070	0.5
88.98821	1.0
89.02449	17.0
92.28704	0.5
95.01385	1.4
96.96007	1.6
98.20398	1.7
99.00880	1.0
99.05664	1.9
101.02443	13.4
103.04022	1.1
104.05064	3.4
106.06615	2.2
108.04575	3.1
109.02891	0.5
113.02460	6.8
115.00340	0.6
119.03517	6.0
121.02908	0.7
122.06078	0.7
123.04535	0.7
125.02445	0.9
128.03554	5.1
129.01924	2.2
129.03886	0.7
131.03506	0.6
132.04559	33.6
134.06134	22.6
135.04536	1.8
143.03636	0.8
143.04616	5.3
144.04994	1.5
145.05191	0.6
148.04065	1.9
148.05266	1.0
149.06139	0.9
150.05542	1.0
152.07155	3.2
153.06642	0.6
158.02438	1.2
158.06146	3.5
158.41046	0.6
160.00697	1.1
161.04518	2.4
162.03317	0.6
167.03407	0.8
176.03534	9.0
179.03398	0.7
180.04799	0.6
188.03476	2.3
190.05092	5.7
191.01910	1.5
193.05022	1.5
207.06544	0.6
208.06184	0.8
208.10182	0.5
210.08861	0.9
211.09102	0.9
221.06726	0.6
242.05731	1.2
251.11893	5.2
255.11339	1.7
257.08188	1.3
265.09406	0.7
265.14624	0.6
267.11234	0.9
271.05994	0.5
271.19180	1.1
272.08908	2.5
273.09238	1.7
279.11389	15.9
285.11295	1.5
288.06635	0.6
289.06815	0.7
295.10760	3.7
301.10873	1.1
305.09372	0.6
306.07654	11.3
307.07889	10.8
308.07376	1.2
313.10788	1.2
314.12515	3.2
323.10349	9.8
329.14017	1.3
337.11938	1.0
341.04907	0.6
341.10059	0.5
373.13043	2.6
412.04663	0.7
431.18607	0.7
435.17773	5.8
459.17706	15.8
460.18057	0.7
475.17111	2.2
503.16711	100.0
504.16946	4.8
517.18207	8.6
535.19165	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	534.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
58.02972	4.9
59.01377	17.3
61.98829	9.0
71.01375	4.9
71.10698	0.7
71.53588	0.9
73.02955	4.6
74.02470	11.9
79.52863	0.6
82.02979	1.8
83.05038	1.0
85.02948	4.7
86.02470	5.1
86.99107	1.2
87.00868	1.0
87.05624	2.7
89.02458	5.1
90.00196	0.9
96.96019	1.2
97.04095	1.1
99.04507	0.8
99.05640	9.7
101.02438	6.7
101.07193	1.8
102.05601	0.8
108.04520	1.0
109.04058	2.9
110.80840	0.8
111.05594	0.7
112.03990	1.0
113.02449	3.5
113.03612	0.9
116.01707	0.8
119.03485	2.4
120.01254	0.7
123.05617	0.9
125.03545	0.8
127.05131	1.4
128.03540	30.6
129.01909	1.1
131.03520	1.1
131.12518	0.7
132.04549	4.6
134.03752	0.7
134.06111	3.3
135.04590	1.4
135.05624	2.9
135.08090	0.6
137.07211	0.6
141.06708	2.5
143.04610	41.0
144.01166	0.7
144.51192	0.7
145.06197	1.4
146.04567	4.0
147.02954	0.7
149.04568	1.6
153.06694	2.4
158.06126	1.0
160.00752	9.6
161.04550	2.8
166.09810	1.3
167.04625	2.5
167.08229	2.1
176.03506	1.8
177.03372	3.5
179.03232	0.9
179.04622	8.1
181.06212	0.7
184.10840	0.7
185.05664	1.9
191.02162	0.8
192.07677	1.5
193.04961	0.9
197.05693	1.5
201.85858	0.7
209.11816	1.6
210.08815	8.3
242.07721	0.7
251.11859	0.7
254.07771	9.0
272.08875	17.2
273.09470	0.9
279.11380	2.1
287.09146	1.0
288.06625	6.5
288.09500	1.1
304.05988	2.5
306.07629	100.0
307.07947	2.9
323.10309	1.2
372.11398	0.8
373.12933	0.8
388.38672	0.7
408.55954	0.7
435.18002	0.8
459.17807	2.4
475.16956	0.9
490.23065	0.7
503.16678	15.8
517.18530	1.3
534.20612	7.5
535.19586	2.7
562.20203	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36911	1.4
57.03444	7.9
59.01380	100.0
60.01701	3.7
61.98828	98.9
69.46693	7.7
69.47111	2.7
71.01008	3.1
71.01378	39.3
72.01726	2.5
72.99306	3.7
73.02945	15.7
74.03277	1.5
78.04868	1.7
79.96687	1.6
81.03493	1.9
82.38262	1.6
83.01370	4.6
83.05044	3.1
85.02949	23.3
86.03320	1.5
87.00880	3.6
89.02437	21.4
95.01368	2.6
99.00889	2.1
99.04514	8.3
101.02435	27.0
102.02781	2.3
103.04005	22.8
113.02465	12.4
117.64088	1.3
118.26919	1.4
119.03536	8.4
123.04525	1.9
135.11723	1.9
143.03462	2.1
161.04555	2.2
161.09731	3.0
179.10872	2.2
203.10686	2.0
242.13782	3.2
265.06744	2.2
265.09271	22.0
307.10269	2.4
315.80649	1.6
330.11621	2.7
355.24789	4.3
377.39685	1.6
427.14432	1.6
427.19733	23.9
430.22925	5.0
448.19821	2.1
449.27371	2.0
471.18643	39.2
474.21915	2.5
474.28162	1.6
492.22675	2.6
498.25394	2.0
533.29785	27.8
534.22900	4.7
534.30731	55.2
535.31335	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73431	0.4
55.78069	0.4
59.01378	100.0
61.98843	2.1
84.65164	0.4
115.51290	0.4
121.02977	1.4
139.07228	0.4
147.04564	0.7
194.94720	0.4
215.87032	0.4
229.41597	0.4
473.36459	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	533.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.02445	0.3
61.98835	2.1
62.27922	0.2
70.52792	0.6
77.37953	0.2
82.66167	0.2
87.77257	0.2
101.06124	0.5
116.10180	0.2
128.02866	0.3
134.60498	0.3
146.36435	0.3
249.65689	0.2
288.56454	0.3
365.27148	0.4
368.10382	0.2
371.29642	0.3
383.29428	0.4
397.31012	0.5
398.75342	0.3
411.29465	0.3
413.30737	1.2
415.32126	1.4
473.36307	2.0
496.54175	0.3
533.38629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93313	0.5
59.01380	100.0
61.98831	5.7
69.03454	0.6
69.45238	3.3
71.01404	0.5
73.02959	1.3
74.76559	0.5
75.79380	0.5
78.95936	0.6
85.02935	0.8
87.04496	0.6
90.36594	0.5
98.19903	1.1
110.59324	0.5
129.29630	0.6
196.89391	1.0
286.09332	0.5
385.31229	1.7
401.30698	2.7
413.30576	31.2
414.31223	1.5
415.32156	18.5
416.32364	1.2
459.31491	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2911
Annotation	OCHROCARPINONE A
Peak:m/z	Relative Intensity
57.03435	1.0
59.01382	44.8
61.98830	4.7
69.58775	3.2
71.01381	5.6
72.99315	4.5
73.02947	1.3
81.88126	0.6
83.01387	1.2
85.02935	2.7
87.00883	24.2
89.02433	1.3
97.04250	0.6
99.00875	0.7
99.04494	1.5
101.02435	2.5
101.15646	0.6
103.04036	0.8
113.02423	2.4
114.33067	0.5
121.02945	1.2
125.02417	0.8
126.91597	0.6
171.10297	0.7
267.15948	1.6
277.14444	2.5
278.15207	4.6
285.17020	2.6
327.18201	0.7
337.25620	0.9
383.26166	0.7
385.62195	0.6
399.25632	1.2
411.25021	2.0
429.26453	100.0
430.26782	4.7
431.23892	0.6
471.25836	3.1
473.31183	1.8
489.27060	2.7
491.26520	2.3
497.31689	1.2
533.28857	67.5
534.29535	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	533.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	27.4
61.98810	0.6
66.54022	0.3
67.83630	0.3
69.17863	1.8
69.18267	0.6
71.01403	0.3
72.99307	4.2
75.53782	0.3
76.85020	0.2
77.92873	0.3
80.02659	0.3
81.03422	0.3
87.00875	25.5
98.20766	0.5
104.89646	0.2
127.13921	0.3
129.76688	0.3
144.23210	0.2
151.11177	0.3
154.90514	0.2
199.72574	0.2
211.48994	0.3
229.12291	0.4
259.13290	0.6
277.14481	2.6
278.15216	4.8
297.22226	1.2
337.25488	1.0
339.62677	0.3
349.25394	0.4
355.26865	0.3
381.24274	1.0
383.25897	0.4
393.24054	0.4
399.25168	1.2
411.25348	2.1
429.26416	100.0
430.21362	0.5
430.26752	4.9
431.24310	0.6
473.25525	0.8
489.26614	0.3
491.26419	2.0
496.43054	0.3
533.27252	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	533.2395
Annotation	Glabcensin A
Peak:m/z	Relative Intensity
50.46766	0.4
52.53214	0.4
55.01859	0.5
55.83802	0.5
57.03438	1.3
59.01384	28.3
61.98845	2.4
67.01897	10.0
69.46557	0.5
71.01383	4.7
71.53852	0.6
73.02949	4.1
75.25173	0.4
79.05534	0.5
81.03438	1.8
83.01363	0.6
83.05005	2.0
85.02955	3.4
87.00858	0.6
89.02436	2.4
95.05014	1.5
99.04520	3.6
101.02452	2.9
102.05521	0.5
103.03961	1.6
103.74369	0.5
108.02171	0.5
109.06562	1.3
111.04520	2.9
113.02410	2.2
119.03516	0.7
121.02923	0.9
123.04539	4.3
125.06018	0.8
133.06563	0.5
135.04552	0.9
137.06029	0.8
137.09659	0.7
141.05537	0.6
142.85413	0.5
147.08162	0.6
149.02370	1.4
159.04460	0.7
161.06030	0.5
165.77104	0.5
169.12303	1.3
171.10191	2.2
201.11128	0.8
201.12819	0.9
209.11748	1.0
215.10759	0.7
215.14413	0.5
216.11516	0.8
219.10205	1.1
219.13777	2.5
223.17001	0.5
225.14856	1.5
231.13950	0.9
231.17375	0.6
241.18034	1.0
242.13075	1.0
257.15424	1.2
265.09216	0.8
267.16003	0.9
279.59814	0.5
285.16934	1.9
295.15714	0.6
323.15149	0.7
323.18616	10.6
337.16388	0.6
349.16287	1.4
371.27948	0.8
401.23157	0.7
417.22687	1.7
427.20450	0.7
429.22675	2.2
445.22098	2.0
459.59671	0.5
473.21558	5.6
489.26840	2.7
491.22662	14.3
515.21747	2.8
515.29584	2.7
533.23718	100.0
534.24133	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	533.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.8
59.01382	12.7
70.50813	4.3
70.95892	1.1
71.01381	3.8
73.02937	2.2
73.03679	1.1
85.02935	3.0
89.02441	3.0
92.29273	1.3
98.19952	1.4
98.20504	2.6
99.04562	1.8
101.02433	2.7
103.03991	2.9
103.52193	1.4
113.02460	2.4
121.02942	9.8
125.02477	1.6
145.02985	3.4
147.04529	5.0
148.05302	4.6
164.04706	1.4
176.04834	1.8
180.04312	1.4
191.03537	8.9
191.07135	13.7
192.04239	3.0
194.05824	1.9
206.05846	3.2
207.08115	1.9
209.06091	2.0
220.03719	3.0
222.06844	2.9
223.07607	3.7
224.04805	1.6
227.84837	1.4
233.04308	1.7
233.06389	1.7
235.06107	3.7
237.05577	3.5
238.04739	4.2
239.07074	6.1
248.81323	1.5
249.05554	4.2
250.06354	3.1
251.07095	13.0
252.07983	2.3
253.08836	2.6
262.06290	2.5
263.07050	6.7
264.07953	4.6
265.05066	4.8
265.09042	5.6
266.05835	11.7
266.08673	1.5
266.09518	1.4
267.06610	33.2
268.07166	2.3
277.05161	4.0
277.08804	2.0
278.05847	3.8
278.09265	1.5
279.06635	25.8
281.08197	7.4
282.08981	22.3
293.04892	1.5
293.08191	2.9
294.05356	25.9
294.08978	11.0
295.06055	8.3
297.11313	9.1
307.06064	3.4
308.06943	3.6
309.04333	2.0
309.07706	29.8
309.11325	2.3
310.08417	4.8
321.07526	3.0
322.08325	8.9
323.05640	20.6
323.09109	2.2
325.07104	4.7
326.07880	16.0
327.08820	1.6
327.12454	3.2
335.09436	1.6
338.07953	43.1
340.09439	4.4
341.10287	85.5
342.10651	3.2
353.10294	100.0
354.10748	2.5
371.11343	96.7
372.11630	4.3
395.11194	1.8
489.23651	2.7
494.21698	1.7
503.15268	2.3
515.41718	1.5
533.16394	30.7
533.23602	3.2
534.16821	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	533.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32556	0.9
57.03444	3.8
59.01380	14.5
61.98826	1.8
71.01378	4.2
73.02966	1.1
80.27190	1.0
85.02938	2.5
89.02459	3.7
89.59032	1.1
96.95986	1.0
99.04524	3.7
99.47237	0.9
101.02486	4.3
103.04006	1.7
113.02415	1.4
119.03516	1.4
121.02943	2.7
125.02483	1.5
129.01886	1.0
132.15912	0.9
148.05281	1.3
175.39870	1.0
191.03568	1.3
191.07115	1.7
192.04176	1.1
196.99701	1.0
207.08130	2.3
209.06279	1.1
211.07706	1.0
220.03737	1.2
221.06184	1.8
222.06947	1.7
223.07736	2.7
229.21249	1.4
234.06984	1.0
235.07693	2.5
237.05623	1.6
239.07182	5.7
249.05498	2.2
250.06258	2.6
251.07101	13.5
251.62613	1.1
252.07671	1.0
262.06342	3.0
263.07181	6.2
264.07861	2.9
265.05008	1.2
265.09140	3.1
266.05884	4.0
266.09381	0.8
267.06586	23.9
268.07217	1.1
277.04968	1.3
277.08676	1.0
278.05814	1.1
278.09549	1.0
279.06595	21.6
280.07297	1.1
281.08154	2.4
282.08963	15.2
285.13467	1.3
293.08096	1.8
294.05362	9.6
294.08981	10.2
295.06058	8.1
297.11328	4.6
306.05292	1.2
307.06088	3.2
308.06857	2.0
309.07675	13.9
310.08423	3.2
311.05658	1.9
321.07535	2.0
322.08365	7.8
323.05615	22.8
323.09171	2.6
325.07227	1.8
326.07907	9.9
337.07086	1.9
338.07962	25.0
341.10287	65.4
342.10651	2.6
353.10297	100.0
354.10532	3.2
371.11374	17.5
389.21893	1.2
489.23270	2.6
533.15747	5.5
533.24341	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.5
55.22144	1.5
57.03443	20.5
59.01376	12.7
67.01889	2.3
69.44693	10.4
69.45080	2.7
71.01384	28.7
72.99310	2.2
75.00847	1.8
83.01363	4.7
84.95190	1.6
85.02946	32.6
87.00869	43.7
87.07499	1.6
89.02439	14.2
93.03436	2.9
99.00878	8.1
101.02443	32.1
103.00375	1.7
111.00869	4.0
111.04561	3.7
117.01942	2.4
119.03491	19.8
129.01942	42.9
147.03003	18.3
173.04579	1.8
191.01965	63.7
191.05600	100.0
341.10693	3.8
377.13205	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	532.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	34.4
60.01727	5.3
61.01801	5.3
61.98830	100.0
63.43314	1.1
69.18767	10.2
83.86474	1.0
98.20681	2.3
102.50742	0.9
127.35513	0.9
243.38892	1.1
306.83466	1.1
450.03369	1.2
479.01022	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0934
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
57.03444	1.6
59.01380	8.8
61.98827	1.1
62.23172	0.5
65.00291	0.4
73.02943	2.2
83.01390	0.9
85.02965	3.4
87.00874	0.7
89.02459	2.5
93.03458	1.5
99.04517	1.8
101.02425	2.7
103.04018	3.8
107.01396	2.2
109.02936	0.6
113.02464	1.3
119.03490	0.9
125.02457	0.7
132.02170	1.1
135.00894	2.0
143.04964	0.9
151.00385	1.8
157.06593	0.6
159.04495	1.0
161.04469	0.6
163.00366	2.0
165.72701	0.4
167.05029	0.6
171.04553	0.5
183.04546	1.0
185.06064	1.5
187.04027	2.5
189.05467	0.8
190.99869	0.7
191.06923	0.5
197.06036	0.8
199.03973	1.5
211.03949	2.7
213.05573	1.6
227.03500	26.6
228.03944	0.8
229.05054	10.2
239.03487	1.3
240.04239	0.5
241.05014	1.4
243.50102	0.5
255.02977	63.1
256.03592	4.1
257.04553	6.7
265.09244	2.2
267.03055	0.7
267.06808	0.5
283.02576	0.8
284.03256	85.6
285.04022	100.0
286.04422	3.7
307.10367	2.6
341.10336	1.0
353.10257	2.0
353.98578	0.5
371.11319	2.0
393.87216	0.6
489.10370	60.3
490.10730	3.5
533.26672	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	532.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.7
61.98831	100.0
71.52716	0.8
78.95911	0.8
83.20969	0.5
100.53146	0.5
101.36058	0.5
101.65632	0.5
135.45944	0.6
214.00284	0.5
253.43993	0.6
403.16849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15303	0.3
57.18985	0.3
59.01384	2.1
61.98830	100.0
69.34224	2.0
72.50457	0.3
78.95921	1.2
80.00481	0.4
98.19935	0.6
121.02966	1.4
152.99617	1.0
156.83342	0.4
196.89513	1.6
197.89471	0.7
261.94730	0.4
413.64920	0.5
472.34363	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.5
60.01724	2.0
60.66656	1.1
61.98830	100.0
71.53014	1.8
73.17068	1.1
79.72019	1.2
96.95987	1.3
121.02925	1.6
211.30635	1.2
215.21193	1.4
280.72845	1.4
338.72534	1.2
422.31689	1.4
522.01697	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
61.98833	100.0
63.77430	0.2
113.36922	0.2
121.02957	0.3
125.99425	0.2
132.45044	0.2
195.89825	0.2
343.19141	0.2
344.14514	0.2
458.63571	0.2
476.28439	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.2
60.01713	0.5
61.14025	0.3
61.98830	100.0
68.40139	0.3
71.42501	0.5
80.88148	0.3
107.45042	0.3
133.04204	0.4
140.29205	0.3
147.04562	0.5
430.26797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50449	0.2
59.01377	0.6
60.06246	0.2
61.98830	100.0
73.71371	0.2
88.71111	0.2
98.20657	0.5
120.82175	0.2
121.02959	0.4
127.98951	0.2
359.39386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
61.36697	0.2
61.98831	100.0
62.97490	0.2
71.52898	0.3
85.89347	0.2
121.02955	0.4
131.17664	0.2
241.93471	0.2
290.89337	0.2
320.08749	0.2
320.77869	0.2
438.57434	0.2
532.24695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98830	15.4
70.82563	1.3
71.01402	1.2
71.50919	0.7
73.02933	0.9
101.06075	3.6
111.22129	0.7
194.92331	0.7
210.23390	0.7
299.57526	0.7
369.28104	1.4
399.29272	2.2
411.23633	1.2
411.29053	24.2
412.29745	1.1
413.30585	23.8
413.35822	1.3
414.31189	1.6
457.29623	1.6
471.34732	0.7
520.71045	0.8
543.15430	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59504	0.5
58.00597	0.9
59.01378	100.0
60.12234	0.5
60.99828	0.4
61.98833	2.6
68.99575	1.9
69.20385	0.4
69.32040	0.9
69.32456	3.1
71.01396	1.5
73.02952	2.2
80.77741	0.4
85.02937	0.7
98.19901	0.6
99.82575	0.4
106.39225	0.5
109.08676	0.5
112.98558	2.2
135.04529	0.9
137.09706	0.5
161.02519	1.2
348.32965	0.5
381.28082	0.6
383.29523	3.3
385.27740	0.9
399.28955	6.3
411.29031	53.9
412.29306	2.9
413.30597	32.7
414.31177	1.3
430.17572	0.5
453.33841	0.8
457.29501	3.1
458.07159	0.6
471.35001	0.9
531.23480	1.1
531.33942	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.79199	0.5
61.98843	2.1
68.41376	0.5
69.71848	1.6
69.72262	1.0
73.02947	1.1
78.95921	0.7
79.95754	0.4
85.02972	0.5
90.62714	0.4
98.19996	0.9
99.04537	1.3
105.29092	0.4
108.02190	1.8
109.02953	2.4
140.88321	0.5
152.99611	0.8
166.57350	0.5
174.48209	0.4
175.75928	0.5
190.87053	0.5
247.21066	0.5
277.21762	1.1
423.32596	0.5
471.34726	0.7
531.35901	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	531.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94890	0.3
55.01880	0.3
57.03443	0.6
59.01377	50.7
61.98831	1.3
68.99814	1.8
69.03458	2.5
71.01382	6.9
71.53299	0.3
71.53713	0.4
72.99305	0.4
73.02951	0.9
73.69222	0.3
78.95911	0.4
79.01893	1.1
81.03434	1.6
82.53059	0.3
83.01399	1.1
85.02951	17.6
87.00883	0.5
93.03459	0.6
95.01388	14.5
96.99318	0.5
97.02940	0.7
99.00887	1.5
101.02445	1.3
107.05019	0.6
108.02175	100.0
109.02954	94.5
110.03309	1.2
113.02422	2.6
117.03446	0.3
121.02964	1.4
122.03738	0.6
123.00883	14.6
123.04495	1.6
126.47659	0.2
133.02977	0.9
134.03770	0.8
135.04517	1.2
151.04004	5.2
152.99588	1.0
155.82478	0.3
161.04514	1.7
161.46756	0.3
163.03983	1.4
166.99873	0.7
169.30621	0.3
193.05016	0.4
208.36891	0.3
211.72115	0.3
215.09950	0.3
247.47598	0.3
253.07257	1.0
277.21707	49.2
278.22098	2.5
291.23264	0.3
471.34448	0.4
531.22858	0.4
531.30432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56348	0.3
54.80593	0.3
59.01380	100.0
60.01727	0.5
61.98832	1.2
69.18444	0.4
70.73499	0.4
78.95921	0.8
98.19870	0.8
121.02993	1.6
123.79770	0.4
141.94038	0.4
229.53506	0.4
251.13655	0.4
322.84875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63188	0.3
53.38230	0.3
54.78287	0.3
59.01379	100.0
61.98831	16.1
71.52919	0.4
83.03056	0.3
83.29141	0.3
116.92888	0.6
117.03379	0.3
198.26096	0.4
199.39941	0.3
216.68170	0.3
363.25421	0.7
410.11847	0.4
429.26370	6.8
471.35220	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3327
Annotation	Quadrangularic acid G
Peak:m/z	Relative Intensity
50.52764	0.3
57.03446	0.5
59.01152	0.3
59.01376	3.4
60.45545	0.3
61.98832	2.6
70.27472	0.3
71.01396	0.6
73.02933	0.8
83.05016	3.5
94.04222	0.4
95.55898	0.3
98.20773	0.6
121.06580	0.7
121.54971	0.3
123.07253	0.6
123.08159	12.3
141.09167	1.1
155.46603	0.4
164.55811	0.3
177.58397	0.4
179.10606	0.4
201.84625	0.3
255.17595	1.0
375.26974	1.3
419.25552	1.0
435.29178	0.8
451.28625	0.6
467.31586	3.1
469.33237	14.1
470.33707	0.8
487.34238	6.5
501.32025	2.2
513.32074	2.2
531.33246	100.0
532.33661	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	531.2729
Annotation	Hanburin
Peak:m/z	Relative Intensity
55.89701	1.5
59.01381	12.7
61.98540	2.2
61.98829	18.7
62.35354	1.6
69.18060	10.9
69.18484	6.2
71.01373	2.3
82.64291	1.8
85.02944	2.8
89.02428	2.0
95.60397	1.9
99.04515	4.6
125.09683	2.4
130.52550	1.8
131.34186	1.7
171.10286	2.1
185.11830	3.1
201.11343	2.3
209.11844	3.1
269.79532	1.7
283.87057	1.6
303.68317	1.7
335.42294	1.8
402.35373	1.9
469.21130	2.0
487.25534	4.5
495.29727	3.0
513.26837	7.6
531.27301	100.0
532.27631	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	531.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67435	0.8
55.01878	1.6
57.03449	71.4
58.00593	1.0
59.01380	100.0
61.98814	1.8
64.66492	0.7
69.03432	1.5
69.64677	3.5
70.04734	0.8
71.01379	38.4
71.05020	1.5
72.99290	2.0
73.02943	11.1
74.02464	0.8
75.00858	1.2
81.03445	2.2
83.01388	5.5
83.05029	1.2
85.02954	21.8
87.00872	4.4
87.04513	1.0
89.02446	28.8
95.01383	2.7
96.96005	4.9
97.02993	1.4
99.00868	2.2
99.04519	63.0
100.04852	1.2
101.02444	46.0
103.04018	11.2
104.41921	0.8
109.06568	0.9
113.02446	16.7
115.00381	1.1
115.04021	1.2
116.92906	1.1
119.03503	13.0
123.04544	1.4
123.08137	1.5
125.02449	33.1
129.01877	1.0
131.03471	1.3
137.09729	1.8
140.72711	0.8
141.05649	1.0
143.03502	5.6
149.04576	1.3
149.06047	1.5
152.08400	1.2
159.02953	0.8
161.04605	5.4
163.11263	1.0
179.05576	1.6
183.18115	0.9
195.13884	1.7
197.15424	1.4
207.13885	2.6
209.11810	1.0
209.42903	0.8
223.04492	0.9
225.14932	11.7
239.12914	1.3
247.08261	1.2
265.09265	14.7
274.90018	0.9
283.15433	1.2
363.13293	1.0
369.19159	27.3
387.20230	87.6
388.20459	3.4
429.21335	27.2
430.21320	1.1
443.19272	0.9
460.09113	0.8
469.24725	4.6
487.20432	1.0
487.26025	1.1
531.24542	37.9
532.24774	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	531.2444
Annotation	Zizyvoside I
Peak:m/z	Relative Intensity
55.98114	0.6
57.03444	8.3
59.01381	33.1
61.98805	3.1
69.03426	0.8
71.01380	8.7
71.04997	0.8
72.99281	0.7
73.02952	9.6
77.91977	0.6
81.03455	0.9
83.01372	1.4
83.05041	0.9
85.02950	9.4
86.68844	0.7
87.00890	1.3
87.04503	1.0
89.02428	2.6
97.02940	0.9
99.04503	4.6
101.02440	5.1
103.04009	17.6
109.06541	1.3
109.51144	0.7
111.08128	1.1
113.02413	2.4
115.33896	0.7
115.61292	0.7
119.03508	1.5
145.05016	0.8
148.03238	0.7
151.00194	0.6
161.04645	0.9
165.12825	1.0
179.14401	1.3
197.11926	0.9
203.14394	0.8
209.11745	2.1
209.29204	0.7
221.15459	8.5
223.13385	17.5
233.11673	0.9
237.14809	1.0
239.16399	2.0
265.09280	7.1
265.14313	4.4
266.09738	0.7
283.15488	24.5
283.18634	1.5
284.15891	1.1
325.16528	3.6
327.12021	0.7
335.92154	0.7
385.18628	3.3
413.23303	1.2
445.20844	5.5
457.20651	1.0
457.81143	0.8
469.24289	1.1
471.22137	4.0
487.25806	1.1
489.21082	1.1
513.23285	2.3
531.24200	100.0
532.24536	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	531.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
57.03444	19.9
58.00582	1.2
59.01376	100.0
59.40928	0.8
61.98823	11.8
69.69755	1.8
69.70172	3.4
71.01379	22.8
71.05017	1.8
72.99313	1.7
73.02946	18.5
73.35666	1.0
83.01384	6.6
83.05023	2.6
84.40687	0.9
85.02950	15.2
87.00851	2.6
87.04530	1.7
89.02435	9.3
95.01398	2.2
96.95997	2.6
97.02954	2.3
97.06593	2.3
99.00897	1.2
99.04514	4.9
101.02438	21.9
103.04016	16.5
109.02892	1.5
111.04506	1.8
113.02440	9.3
119.03483	3.8
123.04547	2.0
123.08167	1.4
125.06094	1.3
131.03549	1.4
141.05527	1.2
141.09200	1.8
143.03532	1.1
145.05026	1.0
147.04434	1.4
151.11252	1.1
153.09311	0.9
161.04523	3.2
177.09314	1.3
179.14432	2.8
185.08179	1.8
192.71822	0.9
221.15422	5.9
223.13371	42.0
239.16510	3.8
263.09286	0.9
265.09250	16.6
265.13947	2.2
269.04620	1.5
274.19717	0.9
283.12158	3.7
283.15475	98.4
284.15884	3.2
307.10278	2.5
309.20685	6.2
325.16599	1.8
327.05115	1.7
327.12332	1.3
327.21802	2.3
411.14371	1.2
469.16602	4.7
471.25974	2.2
487.21652	11.4
487.28149	1.3
488.22440	1.1
489.26917	4.6
513.27496	1.5
531.21216	7.1
531.28674	79.2
532.28223	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13837	1.2
55.01872	2.2
57.03453	27.7
58.00587	2.0
59.01379	100.0
61.98825	3.1
65.68674	1.2
67.07871	1.3
67.12758	1.4
69.03470	1.7
71.01384	34.2
71.05018	4.0
71.12360	1.6
71.12701	2.4
72.99306	3.1
73.02957	10.7
83.01381	6.5
83.05032	2.1
85.02956	35.5
87.00881	23.0
87.09486	1.5
89.02451	30.1
95.01402	2.4
95.05011	1.8
96.96021	11.5
97.02998	2.9
97.06578	2.6
99.00853	2.0
99.04514	27.5
101.02443	32.4
103.04012	53.8
107.05068	2.0
109.02957	1.3
113.02457	11.5
119.03517	12.6
119.05033	1.9
121.06606	5.9
123.04401	1.5
123.08163	2.2
125.02440	15.4
129.01866	1.6
133.06670	1.9
137.06068	3.3
143.03520	3.6
145.05037	3.4
147.04556	1.8
148.05298	7.1
151.11298	9.0
154.03741	1.6
159.08131	1.5
161.04514	3.1
163.06113	5.6
163.07503	2.8
165.05568	2.1
170.48033	1.3
171.08200	1.6
175.11319	2.2
177.09222	8.3
177.12843	3.2
179.05598	2.3
179.65404	1.2
185.09608	2.6
195.10284	3.6
203.10838	3.1
205.12155	1.4
221.11725	3.3
226.35909	1.3
229.08638	1.4
239.12880	2.5
247.08333	2.4
247.42044	1.2
265.09238	59.4
283.11893	3.9
283.15500	3.5
289.11292	1.8
307.10455	9.3
385.15005	1.8
387.20352	6.6
401.23215	2.9
427.20972	1.7
429.21371	4.0
443.19324	22.4
445.16885	3.4
445.22360	2.5
469.20593	8.0
513.20215	3.1
514.60748	1.4
519.24493	1.6
527.96112	1.6
531.20343	100.0
532.22076	2.7
532.91998	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	16.4
59.01380	66.0
60.28779	1.4
61.17921	1.4
61.98824	5.5
66.13115	1.4
67.44010	1.5
70.90094	1.8
70.90408	1.9
71.01019	1.8
71.01388	29.3
71.05013	3.5
71.50733	1.6
72.99319	2.7
73.02943	9.3
78.84635	1.4
83.01395	6.3
83.05030	1.9
85.02949	32.1
87.00881	25.2
89.02449	24.5
95.05035	2.2
96.96021	8.7
99.04516	14.5
101.02446	22.1
103.04011	56.2
113.02432	11.4
114.46377	1.8
119.03519	11.1
121.06565	5.5
125.02455	8.0
143.03470	2.3
145.05127	2.2
148.05284	2.9
151.11281	12.9
161.04539	2.3
161.09776	1.6
163.06062	3.4
163.07603	1.7
165.05579	2.1
172.66840	1.6
175.11314	1.5
177.09210	8.9
177.10510	1.5
177.12845	4.1
179.05569	2.8
187.11185	2.0
190.49008	1.4
195.10233	4.0
203.10840	3.7
219.10219	2.1
221.11795	2.9
237.11142	1.9
247.08199	5.1
249.11313	1.8
265.09235	75.6
283.12271	2.8
283.15427	3.5
307.10376	8.6
381.36441	1.5
385.14511	3.3
413.14246	2.0
443.19180	28.0
445.17001	4.2
469.20670	9.3
513.19849	8.1
521.99524	2.1
531.20093	100.0
532.21326	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	531.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28529	1.7
57.03435	2.0
58.00583	2.2
59.01379	43.7
68.99812	4.1
69.70956	10.5
71.01379	46.1
71.47718	1.9
72.99298	5.9
74.75438	1.7
75.00875	4.1
81.21622	1.7
81.67641	1.7
83.01376	9.8
85.02952	14.4
87.00867	25.6
89.02443	39.4
89.48240	1.8
95.01408	3.0
99.00874	11.3
101.02451	15.2
107.45686	1.9
108.02132	10.4
109.17366	1.7
110.00069	3.3
111.00878	28.8
113.02457	14.9
113.99590	3.0
115.00373	28.5
119.03500	17.8
123.04507	5.8
127.00357	6.8
129.01935	4.1
131.03500	3.6
134.03741	19.6
135.04547	4.4
136.05301	2.4
137.02440	2.2
143.03432	3.5
147.00797	1.9
148.01634	7.2
148.05293	13.5
149.02504	2.5
149.06046	11.4
157.01303	2.1
159.04503	1.9
160.05264	1.9
161.02440	2.9
161.04594	6.7
162.03206	12.2
163.03989	16.4
164.04764	22.0
174.01787	2.7
174.03207	6.1
175.02480	57.4
175.03986	8.2
176.04814	3.2
177.01952	2.6
177.05562	18.7
178.02682	7.4
178.06326	3.4
179.05583	16.2
179.07123	4.8
186.03111	2.9
186.06783	2.3
187.03938	2.1
188.04784	6.4
189.05516	5.6
191.03426	2.8
191.07236	4.7
192.04237	12.2
193.05042	25.3
194.02182	2.9
202.02638	8.2
203.03439	7.3
203.07146	2.6
204.04222	7.2
205.04886	2.0
207.06609	35.5
212.04736	2.7
216.04280	4.1
217.05052	11.4
219.06650	7.3
220.03737	37.9
220.05687	3.7
221.04396	5.0
221.08136	2.9
223.06064	4.1
228.04268	2.4
229.05067	6.6
230.05881	4.1
231.06665	2.8
232.03732	7.1
233.04344	2.5
233.08148	2.7
235.06099	100.0
236.06473	2.5
245.08113	4.4
246.05298	5.4
247.06136	19.2
249.07655	4.5
251.05586	92.2
252.05902	2.6
259.06033	6.0
261.07693	5.5
263.09076	4.2
265.07169	3.5
271.06024	4.1
285.07697	4.5
289.07230	13.4
291.05151	37.0
303.08682	6.4
307.08200	55.1
309.06061	5.5
323.07867	3.7
337.07681	14.6
340.63385	2.4
349.09082	12.7
351.07169	35.7
369.08154	5.3
469.13550	7.5
513.12634	18.5
531.05878	3.6
531.13519	60.0
532.13672	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	530.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24319	0.4
59.01379	13.9
60.01714	1.5
61.01800	1.1
61.98831	100.0
64.76020	0.4
69.32130	2.9
78.85644	0.4
169.13310	0.4
193.87006	0.4
268.58398	0.4
470.33743	1.8
473.83765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
58.00597	1.1
59.01379	46.4
63.37958	0.8
71.01377	26.2
72.99323	1.4
73.02969	1.1
83.01373	1.7
85.02951	4.9
87.00893	1.7
89.02444	40.7
95.01393	1.3
95.81133	0.8
98.20422	1.1
99.00920	0.7
101.02446	14.5
103.00400	1.0
108.02151	1.7
111.00881	1.2
113.02441	11.3
119.03504	16.1
122.03777	1.1
123.04524	1.3
124.01662	1.7
125.75249	0.7
131.03468	1.9
133.03014	0.9
134.03741	1.3
135.04530	1.0
143.03490	3.0
148.05296	2.8
149.04588	1.3
149.06079	2.8
150.03201	0.8
157.01407	4.5
158.03757	2.5
159.04474	1.7
160.01633	2.3
160.05290	1.9
161.02478	3.7
161.04539	5.0
161.05827	1.0
162.03265	0.9
163.03993	2.9
164.04764	1.9
165.05547	0.9
173.06081	5.2
174.03201	1.5
175.02483	2.0
175.03995	9.4
176.04759	4.3
177.01941	4.7
177.05539	1.9
178.02728	3.3
178.06339	0.8
179.05606	17.1
179.07028	0.9
186.03212	1.1
187.03984	1.4
188.04808	5.3
189.05537	2.1
191.07140	7.1
192.04300	1.0
193.05052	6.5
193.08696	1.0
201.05678	1.0
202.02687	2.1
203.03513	2.0
203.07109	3.1
204.04250	8.6
205.05013	3.6
205.08464	0.9
206.02182	1.7
206.05748	0.8
207.06644	1.2
208.03709	1.1
212.04785	0.9
217.05043	2.6
218.05798	1.1
219.06609	24.4
219.08760	1.2
220.03818	1.1
220.07010	0.9
221.08171	2.0
222.10507	0.7
227.07071	1.0
233.04521	1.5
233.08249	1.6
235.06088	8.4
247.06065	2.3
250.71901	0.8
251.05539	1.5
263.09174	1.8
265.07220	2.1
271.05969	1.1
289.07147	1.8
291.05139	2.8
292.05899	1.8
307.08215	100.0
308.08533	3.2
347.62466	0.9
351.07275	6.0
484.93036	0.8
531.13788	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	530.312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.0
60.01701	1.2
60.99298	5.1
61.31657	1.0
61.98830	100.0
72.99308	3.0
80.84299	1.0
88.98807	31.4
89.02438	16.9
89.99160	2.7
90.02795	2.3
130.49481	0.9
141.26044	0.8
144.26021	1.0
183.74312	0.9
194.02103	1.0
229.36052	1.3
277.21704	2.6
461.78870	1.1
470.32654	1.5
490.14462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65463	0.6
55.67028	0.6
56.60471	0.7
59.01377	100.0
61.98832	2.3
71.01383	0.9
71.52357	0.7
71.52754	0.9
73.02940	9.2
73.78886	0.6
80.43211	0.6
83.05032	1.4
89.77396	0.7
97.06563	1.1
99.04515	16.7
108.47711	0.6
159.47165	0.7
159.73915	0.8
240.93700	0.6
277.21689	1.5
369.28394	0.8
387.29370	1.1
437.30396	1.7
445.26157	0.9
451.32440	1.1
469.33191	1.5
481.33224	1.3
511.34100	1.1
529.35303	28.4
530.35345	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	530.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.8
61.98831	100.0
64.09026	0.8
71.52827	1.6
115.42249	0.9
121.02959	51.1
301.55716	1.1
516.88776	1.0
530.35339	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	529.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00117	0.1
59.01379	100.0
60.01702	0.3
60.99304	0.6
61.98832	1.8
71.52625	0.2
84.67323	0.1
88.95403	0.1
88.98806	3.3
89.02447	2.2
92.63786	0.1
95.29562	0.1
99.04533	1.0
131.00281	0.1
132.35371	0.1
140.86287	0.1
210.58658	0.1
277.21857	0.4
369.03714	0.1
398.81897	0.1
469.33487	0.3
481.33289	0.2
499.34827	0.1
529.35321	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	529.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33054	0.5
53.80495	0.4
59.01377	62.9
60.01708	0.8
60.26749	0.4
60.99306	3.1
61.98827	1.7
66.23647	0.5
71.53580	0.7
78.95927	0.8
88.98804	19.8
89.02442	9.1
94.96519	0.4
96.96013	0.5
99.04519	9.8
100.04838	2.6
101.06081	100.0
102.06424	1.0
110.88092	0.5
115.87186	0.5
255.23225	1.6
277.21808	2.1
360.55487	0.5
427.24796	2.4
445.25250	0.9
445.38712	0.5
480.31268	0.7
492.87097	0.5
527.80945	0.5
529.29419	4.7
529.35760	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.21695	0.2
59.75879	0.2
60.01709	0.4
61.98821	0.6
70.26529	0.5
70.26926	0.5
80.07702	0.2
101.06074	1.7
170.09225	0.2
278.93384	0.2
310.86728	0.3
427.25043	0.7
487.30676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73810	0.4
59.01377	100.0
60.01722	0.5
61.98827	7.6
69.23082	1.3
69.23500	2.3
73.02946	0.5
75.00874	0.4
77.50664	0.4
87.00874	0.4
87.04523	0.8
99.04538	1.5
105.90907	0.4
279.23257	0.6
385.09238	0.4
469.33231	0.5
487.34735	0.5
525.36206	0.5
529.35266	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	529.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10647	1.0
51.22994	1.0
58.33213	1.4
59.01378	25.6
60.99307	16.9
61.98833	12.5
69.18255	1.1
69.68449	6.1
87.00880	4.6
88.00399	7.1
88.98809	100.0
89.02443	84.5
98.19898	2.1
99.04528	7.2
100.04851	1.6
101.62510	1.1
113.67879	1.3
145.02902	1.3
177.18346	1.3
274.31958	1.4
277.21677	8.5
278.22104	2.3
279.22357	1.7
291.23590	1.4
355.22501	1.2
381.31537	1.0
434.29550	1.2
445.23560	1.4
469.32413	1.9
499.11368	1.2
529.35284	1.6
530.20917	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	529.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.4
60.99310	15.1
61.98822	1.4
70.37421	1.6
70.37785	1.2
71.01390	1.3
75.00878	0.8
78.95930	0.7
87.00867	1.2
88.00385	1.8
88.98807	100.0
89.02447	37.2
99.04504	2.7
101.06082	42.9
119.77600	0.7
121.91805	0.7
139.34625	0.7
153.91730	0.7
209.91812	0.6
221.91345	0.7
237.79396	0.7
255.23283	1.9
277.21780	6.7
427.25125	1.6
461.96658	0.7
469.33154	1.5
480.31143	1.9
529.35309	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	529.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.7
60.99304	15.1
61.98827	7.4
67.91141	0.9
71.53371	1.5
78.95909	1.5
87.00861	2.0
88.00393	6.6
88.98805	100.0
89.02444	52.5
96.96003	2.2
99.04505	3.6
115.21339	0.9
124.94484	1.0
125.37732	0.9
127.64493	1.0
145.02870	1.0
152.99623	0.9
157.86203	1.1
183.55310	0.9
196.93387	0.9
239.55351	0.9
277.21762	7.2
279.22089	0.9
296.27744	1.0
328.87143	0.9
445.23392	1.2
445.68411	1.1
474.21332	0.9
529.34875	1.4
530.21338	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88561	0.5
56.61436	0.4
56.71418	0.4
57.03450	2.4
59.01377	100.0
61.98824	1.0
62.52376	0.4
66.55507	0.4
68.99810	1.2
69.03471	0.8
71.01379	4.2
78.66834	0.5
83.05050	0.7
85.02942	7.4
87.04515	0.9
95.05006	1.0
97.02995	0.5
98.20479	2.3
99.04522	4.4
101.02438	1.0
106.90534	0.5
107.05006	3.1
109.06612	2.4
111.04540	0.7
113.06038	0.6
119.50920	0.5
123.04541	1.2
125.09692	0.5
127.04004	0.6
133.06612	0.6
135.04532	3.6
135.08176	1.1
137.06119	0.5
139.07729	0.5
144.13072	0.5
145.06624	0.9
149.06148	0.6
151.03998	3.1
161.06158	0.7
163.07684	1.0
171.10306	1.5
183.08092	0.5
185.27071	0.5
191.07191	1.3
206.28053	0.5
212.08299	0.5
227.10857	0.7
233.96925	0.5
253.09364	1.9
265.12494	0.5
275.20215	0.9
283.13501	1.4
293.21213	5.6
303.57770	0.4
353.14291	0.7
379.15546	1.5
391.19125	4.0
419.18842	1.7
423.44098	0.5
425.19849	0.7
437.19641	17.4
438.20285	0.7
451.21332	7.0
453.13315	0.5
455.21390	0.8
479.20920	1.8
497.21790	27.0
498.22299	1.7
515.23193	1.4
529.27075	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79110	0.9
56.01707	0.9
57.03457	5.0
58.45955	0.7
59.01374	6.1
60.00694	0.9
60.99292	3.4
69.37655	6.7
71.01385	5.2
85.02937	4.1
87.00898	1.1
89.02433	3.1
93.03452	0.9
96.68963	0.7
98.20673	1.7
99.04499	2.1
101.02418	3.4
103.04015	15.9
106.30090	0.8
112.35802	0.7
113.02455	1.9
139.85168	0.8
142.71011	0.8
157.10222	21.1
159.08087	1.3
161.09702	2.0
163.11261	1.7
175.11276	2.7
185.09705	1.7
187.11263	2.7
189.09216	29.9
190.09506	0.9
193.12413	0.9
199.11179	1.5
201.09300	2.2
203.10788	2.6
207.10197	7.0
208.05818	0.9
224.32837	0.9
237.11322	5.4
247.08231	2.8
265.10886	1.7
275.09323	1.1
281.10361	2.1
293.10342	11.5
295.11905	1.8
323.11359	16.3
353.12378	1.6
383.13483	1.8
385.19077	1.1
413.12115	0.9
443.15405	1.3
499.18170	1.4
529.19214	100.0
530.19781	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	528.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57950	0.7
58.83004	0.6
59.01381	20.8
61.98830	100.0
62.05924	0.8
71.15717	1.6
78.95914	0.8
87.00902	2.2
88.00413	3.7
88.53057	0.7
88.98805	9.6
89.02456	2.8
99.04507	1.9
171.97205	0.7
172.34007	0.8
224.09865	0.8
277.21640	0.9
278.22168	1.6
286.95908	0.8
322.36520	1.0
325.10342	0.8
342.00577	0.7
385.44199	0.9
529.35419	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	529.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92565	0.7
55.64661	0.7
56.57121	0.6
57.03439	3.5
59.01387	3.1
60.99303	2.4
69.35809	3.6
69.36227	1.4
71.01370	3.7
71.54131	0.5
73.02918	0.6
82.39079	0.6
83.01389	0.7
85.02946	3.5
85.21148	0.6
87.00836	0.7
89.02471	0.7
90.36423	0.6
92.96140	0.5
93.03458	1.3
99.04520	1.2
101.02454	1.3
103.03312	1.0
103.04011	17.7
107.05048	0.6
108.45542	0.5
113.02460	0.9
125.02421	0.7
133.06599	0.9
143.08609	0.9
145.10220	1.1
155.08629	1.7
157.10217	23.1
159.08171	1.7
161.06067	0.8
161.09718	3.2
163.11267	1.7
169.10220	0.9
171.08109	1.7
173.09738	1.2
175.11293	2.6
185.09669	0.9
187.07677	1.1
187.11246	3.0
189.09204	29.8
190.09625	1.2
199.11258	1.3
201.09108	1.1
203.10800	2.0
205.12297	0.9
207.10268	9.1
219.10292	1.1
231.10312	0.9
233.11891	0.9
237.11319	5.4
243.10202	1.3
247.08159	3.4
251.09215	0.7
265.10846	1.4
281.10327	2.0
293.10306	13.8
295.11798	1.5
314.89526	0.6
323.11356	16.1
327.67020	0.6
353.12381	1.2
380.26514	0.7
383.13394	2.3
443.15521	1.2
469.52859	0.7
499.18185	0.8
511.18246	1.1
529.19257	100.0
530.19830	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	528.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16612	0.5
58.46465	0.6
59.01378	24.9
60.01714	1.8
61.98830	100.0
70.08690	2.8
72.83742	0.7
99.04519	0.8
124.92300	0.6
154.96509	0.6
205.98811	0.7
279.23349	1.4
293.24899	0.6
295.37296	0.7
507.13995	0.7
529.35620	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	527.3377
Annotation	25-O-Acetyl-7,8-didehydrocimigenol
Peak:m/z	Relative Intensity
59.01381	100.0
64.21786	0.2
69.27155	1.3
69.27579	0.6
72.69996	0.2
74.17014	0.2
79.59814	0.2
98.19947	0.5
104.86780	0.2
117.28486	0.2
117.45222	0.2
119.34341	0.2
165.21027	0.2
184.84370	0.2
227.69511	0.3
316.38263	0.2
373.27646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98823	3.4
64.50699	1.0
69.89653	1.0
71.53240	1.5
110.44499	1.0
197.02589	1.0
222.81398	1.1
247.39041	1.0
277.21622	3.8
282.97617	1.1
305.24805	3.6
319.26227	1.5
425.59723	1.0
444.99240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87861	0.2
59.01381	100.0
60.01722	0.4
69.27467	1.3
69.27871	0.3
98.20255	0.9
127.55019	0.2
138.28580	0.2
170.12845	0.2
264.36130	0.2
343.16150	0.2
402.97833	0.2
406.64499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3013
Annotation	Milbemectin
Peak:m/z	Relative Intensity
54.20909	0.2
59.01379	7.7
59.46763	0.2
63.58979	0.3
68.06712	0.3
69.38165	2.1
83.05041	0.3
86.63795	0.3
87.00883	0.6
97.06602	0.4
98.20655	0.6
99.04519	100.0
100.04855	1.0
133.52094	0.2
145.06477	0.3
215.10840	0.7
219.51601	0.2
277.21738	0.7
293.15115	0.3
311.16565	3.0
347.19995	0.5
365.21182	2.4
370.61362	0.3
375.89371	0.3
390.79147	0.3
409.23740	1.4
426.11249	0.3
427.24677	0.8
445.25729	0.4
492.37106	0.3
509.28693	0.4
527.30115	29.8
528.30365	1.9
533.03918	0.3
553.51434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89923	2.2
59.01380	100.0
61.98819	6.5
65.39535	2.3
69.19508	2.1
69.48501	17.2
71.11760	2.3
75.44534	2.3
79.61073	2.0
82.07594	2.4
87.67268	2.2
88.18877	2.0
89.74496	2.2
109.56983	2.5
114.31183	2.6
176.89558	2.3
221.87538	2.3
295.50885	2.7
305.24869	6.6
319.26416	7.9
327.95215	2.2
543.03174	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2628
Annotation	Ardisiaquinone A
Peak:m/z	Relative Intensity
57.03451	0.1
59.01376	0.4
61.98821	0.4
67.01881	0.1
71.01382	0.4
71.52818	0.1
73.02933	0.1
79.05527	1.2
81.02431	0.1
83.05031	1.0
85.02949	100.0
86.03279	0.9
87.04527	0.7
93.03472	0.3
95.05025	0.5
97.06596	0.3
99.04514	0.2
106.73376	0.1
107.05006	0.1
109.06583	0.2
111.04524	0.2
111.08193	0.1
121.06588	0.4
123.04518	0.1
124.05256	0.2
125.06065	0.4
131.05035	0.1
133.02905	0.2
133.06635	0.1
135.04512	0.3
135.08173	0.2
137.06075	0.3
141.18759	0.1
145.06598	0.4
146.03787	0.1
147.08171	0.3
159.08151	0.1
160.05312	0.3
161.06090	0.2
161.09738	0.3
163.07611	0.4
163.11302	0.2
171.08167	0.1
177.09163	0.1
185.09673	0.5
187.07658	0.8
187.11325	0.1
189.09250	0.2
191.10774	0.3
197.09859	0.1
199.07683	0.3
199.11229	0.1
199.14938	0.1
200.08485	0.1
201.09218	0.5
203.10812	0.1
205.12381	0.2
207.10292	0.2
209.11781	0.1
211.07536	0.1
213.09261	0.1
215.10808	0.2
225.09279	0.1
227.07210	0.2
227.10757	0.4
228.07918	0.6
229.08583	0.2
229.15929	0.2
250.69582	0.1
255.17490	0.2
265.12384	0.6
283.13251	0.5
287.12872	0.7
291.13858	0.3
303.19562	0.1
309.14975	1.5
310.29739	0.1
325.14273	0.1
327.16107	0.3
331.17029	0.1
347.19800	0.2
349.17886	0.1
365.19507	0.2
369.17154	0.1
375.19528	0.1
377.17490	0.1
411.21890	0.1
411.42227	0.1
423.21799	0.3
439.21375	0.5
440.21359	0.1
441.22733	1.4
443.20581	1.0
457.22311	0.2
499.26584	0.1
509.25082	0.8
525.25079	0.6
527.26440	92.5
528.26794	7.1
528.38513	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	525.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98833	0.7
71.36732	0.5
83.24398	0.3
84.00925	0.8
84.95137	1.1
115.15546	0.3
149.85768	0.3
161.02293	0.3
219.43509	0.3
277.21796	0.4
326.65390	0.3
489.00421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51473	1.1
61.98837	7.5
69.50950	6.5
71.98808	1.1
109.02978	1.1
121.02985	1.4
125.01080	1.0
130.85303	1.0
144.85187	1.0
151.00363	7.8
161.33653	1.2
163.00366	1.7
178.99901	4.7
192.43413	1.0
212.28015	1.1
227.03474	1.2
243.03020	5.3
245.04550	1.6
254.02284	1.7
255.03004	15.8
271.02463	39.7
271.05426	1.9
272.03043	1.4
283.02612	1.8
300.02731	74.5
301.03494	36.8
463.08798	100.0
464.09161	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	525.3067
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
54.56409	0.6
57.03446	4.4
58.00589	1.5
59.01378	31.9
67.79376	0.5
70.36215	0.8
70.36543	1.2
71.01376	7.9
71.94580	0.5
72.99307	0.8
73.02939	3.0
77.70821	0.5
81.70992	0.5
83.01394	1.0
85.02950	21.6
89.02449	1.2
99.00933	0.6
99.04493	0.9
101.02448	3.2
101.06066	0.8
103.04014	34.6
113.02406	1.4
115.71585	0.6
117.05560	0.8
119.03501	0.7
172.87535	0.6
247.08182	0.8
265.09229	3.7
273.22183	2.9
276.51932	0.6
277.21713	25.8
278.22052	1.2
291.23318	8.4
319.22696	1.8
387.31641	0.6
465.30093	9.9
509.95142	0.7
525.30664	100.0
526.30969	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	525.2703
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
55.01876	3.0
57.03451	2.8
57.43576	0.4
58.00593	4.0
59.01378	100.0
60.01701	0.6
61.98827	25.1
69.03458	1.0
71.01380	93.0
71.54850	0.9
72.01704	0.7
72.99307	6.5
73.02944	13.6
75.00872	1.2
81.03446	0.9
82.45957	0.4
83.01389	8.5
84.02179	0.5
85.02949	27.1
86.00138	0.7
87.00875	42.1
88.98795	0.8
89.02442	76.2
89.10054	0.4
95.01395	7.6
96.96014	1.6
97.02939	1.7
98.54176	0.4
99.00882	6.2
99.04475	0.6
101.02442	70.6
102.02748	0.7
103.04054	0.5
103.04783	0.4
108.02168	0.6
110.58672	0.4
111.00889	4.9
113.02448	41.5
114.02743	0.5
115.04022	0.8
115.57183	0.4
119.03503	38.0
120.99609	1.1
121.06629	0.5
122.74252	0.4
125.02441	2.7
129.01942	7.6
131.03516	4.3
141.01938	0.8
143.03491	10.6
147.08165	0.6
149.04553	3.5
149.05640	0.6
153.05617	0.7
159.02974	6.5
161.04549	28.6
169.36316	0.4
179.05606	19.3
179.07190	0.9
182.75499	0.4
197.04509	0.8
199.36528	0.4
205.03598	0.8
237.12680	0.6
239.14424	0.7
241.12282	0.5
243.13887	1.4
255.13864	3.7
255.17586	1.0
257.15466	1.1
259.17117	2.0
271.13541	0.5
271.17065	2.6
273.18631	1.2
277.82834	0.4
281.18704	0.4
282.18094	0.7
283.16992	0.5
285.14905	2.4
285.18631	1.8
295.17123	0.9
297.18549	8.3
299.20129	0.9
301.18060	5.1
303.19608	0.8
304.01984	0.5
305.21085	0.7
313.18256	0.6
315.19614	12.5
317.21127	0.9
319.19507	0.8
327.07224	1.3
327.19537	2.5
328.74017	0.5
333.20663	6.4
339.09967	0.5
345.20563	8.3
363.17279	1.1
363.21747	16.5
365.23346	1.1
393.10852	1.0
435.23782	3.5
450.17413	0.6
454.88583	0.4
457.49295	0.5
463.21918	0.9
507.26120	0.8
525.27081	92.0
526.27509	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	525.2489
Annotation	Kosamol A
Peak:m/z	Relative Intensity
50.04667	0.1
57.03447	0.2
59.01373	0.5
61.98824	0.4
62.15637	0.1
67.01894	0.2
67.72727	0.1
69.03448	0.2
72.99306	0.2
75.87765	0.1
78.88125	0.1
79.05537	0.1
83.05036	0.9
85.02951	100.0
86.03283	0.7
87.04514	0.5
89.48928	0.1
93.03469	0.2
95.05017	0.2
97.06592	1.3
98.20686	0.3
99.04507	0.3
107.05024	0.5
109.06602	0.3
117.07121	0.1
119.05019	0.1
121.06590	0.2
122.03775	0.1
124.05300	0.3
124.58918	0.1
125.06076	0.8
135.08121	0.3
145.06587	0.7
147.08109	0.2
159.58899	0.1
160.05309	0.3
161.06053	0.2
161.09735	0.2
185.09669	0.2
187.07668	0.2
189.09206	0.3
197.09738	0.3
199.11246	2.3
200.08374	0.2
210.06842	0.6
211.13457	0.2
213.09120	0.3
215.10742	1.3
217.12323	0.3
225.09244	1.4
227.10550	0.1
229.50829	0.1
243.10249	3.7
267.13800	0.4
281.15317	0.2
297.14917	0.2
307.17023	0.3
329.19144	0.2
347.20288	0.3
369.16803	0.2
391.18823	0.1
395.18460	0.2
404.88519	0.1
411.21738	0.4
415.24780	0.1
439.21326	1.0
455.20755	0.5
507.23795	0.3
525.24896	91.7
526.25226	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	525.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	10.3
58.00600	1.4
59.01376	26.7
61.98832	8.9
67.24722	0.8
71.01379	13.1
71.54256	1.6
71.54602	1.3
72.99306	1.5
73.02952	4.8
74.51549	0.9
79.05549	0.9
81.48613	0.9
82.83951	0.9
83.01408	1.5
83.05015	2.7
85.02456	1.7
85.02950	19.5
86.39987	0.9
87.00867	3.2
87.04553	1.0
88.98795	3.4
89.02439	7.3
90.98593	0.8
95.01351	1.0
95.05006	1.5
96.95981	1.1
97.06567	1.5
99.00871	1.3
99.04511	11.3
101.02430	8.4
101.70392	0.9
103.04013	31.7
103.40478	0.8
103.64442	0.9
106.06647	2.3
108.02208	1.2
108.39374	1.1
109.03001	1.1
111.04498	1.3
112.98600	1.0
113.02488	4.7
113.06083	5.6
119.03496	2.3
123.04536	1.9
125.02420	2.8
125.06075	2.2
127.04011	2.9
131.03548	1.0
133.06580	3.7
134.06110	1.4
138.58051	0.8
141.05554	4.2
145.05147	1.3
147.08131	2.9
149.06062	12.2
150.05589	1.0
152.01082	1.1
160.04039	1.2
161.04594	1.3
161.06027	1.7
168.00636	1.7
171.11803	1.1
177.05554	5.5
179.05606	1.4
188.11891	0.9
191.07108	9.7
203.07086	2.7
205.08745	2.8
211.13135	1.1
215.10716	5.2
247.08121	2.3
259.09641	3.0
265.09280	28.3
277.10806	17.0
291.12375	2.6
301.10846	1.2
319.11804	5.2
334.80026	1.0
347.13397	13.7
362.29962	2.2
379.13803	3.4
387.12234	1.1
393.18109	1.6
423.87372	1.2
439.16263	2.6
481.15845	2.0
507.18588	8.1
508.17084	1.1
519.25732	1.0
524.35797	5.0
525.19684	100.0
525.36102	4.6
526.19666	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	525.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.8
57.52668	0.9
59.01382	19.4
61.70119	0.7
61.98835	4.5
66.57359	0.8
68.57436	0.7
69.18991	4.3
69.19421	3.6
69.53263	0.7
70.34683	0.8
71.01014	1.0
71.01378	11.9
72.99285	1.0
73.02937	2.3
79.05548	0.8
83.01352	1.1
83.05012	4.0
85.02953	18.3
87.00883	2.6
88.98821	1.1
89.02442	8.6
95.01344	0.8
97.06572	1.8
99.04518	15.8
101.02442	7.2
103.04008	29.1
106.06593	1.1
111.60490	0.7
112.98554	1.2
113.02438	4.7
113.06094	6.6
119.03477	3.1
123.04528	1.8
123.66337	0.8
125.02446	1.7
125.06085	1.8
127.04002	4.8
133.06573	3.2
137.44289	0.7
141.05598	6.9
147.08131	2.4
149.06082	12.9
159.44098	0.8
169.05081	0.9
171.11734	2.0
177.05585	9.6
179.05443	0.8
187.39189	0.8
191.07159	8.0
205.08678	0.9
215.10733	7.7
233.08240	1.1
247.08047	1.1
259.09698	3.4
265.09268	37.6
277.10782	12.2
291.12329	2.0
319.08609	0.9
319.11801	5.6
347.09454	0.6
347.13400	16.5
362.29797	1.1
375.12943	2.9
379.13760	2.8
387.12903	2.3
398.36462	0.9
439.15948	1.4
481.16031	1.5
507.18640	9.1
508.17422	1.7
524.35254	4.4
525.19702	100.0
525.35388	3.2
526.20020	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	525.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.7
61.98831	2.2
62.48109	0.6
65.00335	0.7
67.74830	0.5
69.24718	1.4
69.25119	3.9
71.01386	2.3
83.01394	0.6
85.02957	2.4
85.68258	0.7
89.02454	1.6
91.01890	0.9
93.03455	1.1
95.01421	1.2
98.20442	2.5
98.35597	0.6
99.00894	0.5
101.02436	1.1
107.01418	0.7
107.05057	0.7
108.02175	20.1
109.02907	0.6
111.00851	1.2
113.02460	1.7
115.04046	1.0
119.03524	0.7
121.02966	3.5
122.03751	3.9
123.04529	14.5
125.02490	0.6
148.05313	0.8
149.02443	11.2
150.03227	39.1
151.03918	1.9
152.01151	44.2
153.01605	0.6
161.04578	0.6
163.07675	0.7
164.04796	3.0
165.05571	45.4
166.02722	1.4
167.03496	100.0
168.03806	1.6
175.03987	1.2
180.04256	3.7
181.05086	1.0
195.06624	25.1
209.04536	5.0
235.06006	1.4
245.08144	0.7
256.07367	4.7
263.09167	1.4
271.09796	1.9
289.07166	1.0
299.13376	0.5
303.08679	0.8
307.08124	0.9
315.08762	9.1
329.08792	0.7
363.10852	31.6
364.11249	1.0
388.35260	0.6
405.11792	0.9
414.45331	0.6
427.12378	0.6
449.21805	0.7
469.13449	1.6
525.16138	19.6
553.12103	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.2
57.03445	3.8
58.00579	1.7
59.01378	41.4
60.01716	0.3
61.98824	3.4
65.07990	0.4
69.03452	0.4
71.01379	45.2
72.01722	0.8
72.99310	2.7
73.02947	10.4
75.00862	0.9
83.01389	4.6
83.05022	0.8
85.02948	20.4
85.06585	0.4
86.03304	0.4
87.00858	2.0
87.04519	0.7
88.98818	0.9
89.02441	26.1
90.02761	0.5
95.01391	4.3
95.70288	0.3
96.95999	0.7
97.02957	0.8
97.06579	0.6
98.20617	1.0
99.00868	3.3
99.04543	0.5
101.02441	27.7
101.06116	0.4
102.02815	0.4
103.04007	1.2
109.02843	0.3
111.00896	1.3
113.02448	18.3
114.02776	0.5
119.03500	10.1
119.04883	0.4
125.02473	1.0
129.01918	1.0
131.03499	1.4
135.04497	0.3
143.03485	2.5
143.10812	1.1
149.04520	0.7
159.02965	1.9
161.04546	8.1
179.05585	4.7
197.15488	1.1
227.12889	0.7
241.21786	0.4
243.19585	0.5
257.17551	1.1
257.21167	0.8
265.09482	0.4
275.18692	1.7
289.20294	0.4
315.25415	1.2
343.28586	0.5
345.26361	0.4
359.28174	1.2
360.28445	0.5
361.29559	35.5
362.29913	1.8
419.26437	0.8
479.27927	0.7
523.34863	100.0
524.35284	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	523.2759
Annotation	Sedumoside A6
Peak:m/z	Relative Intensity
57.03447	5.0
59.01380	15.9
61.98828	5.0
71.01377	8.1
72.99294	1.4
73.02931	3.8
83.01405	0.9
85.02946	4.3
87.00884	0.9
88.98768	0.7
89.02440	6.0
95.01360	0.6
96.95989	0.9
98.95607	0.7
99.00867	0.8
99.08157	1.1
99.09237	0.6
99.44117	0.5
101.02445	5.6
103.03979	2.4
107.10687	0.5
113.02470	2.7
113.67824	0.5
119.03486	1.3
119.05000	2.5
120.99619	2.2
123.08144	0.8
135.04497	0.6
137.09674	0.8
161.04547	0.9
163.03973	1.8
181.15945	1.4
222.23816	0.7
231.10207	1.6
234.15337	0.5
235.20634	1.9
245.19028	2.1
251.20174	0.6
261.03989	0.7
263.20126	5.1
265.09225	1.8
275.09140	0.8
278.78534	0.7
279.19586	0.6
281.09521	0.7
281.21188	11.0
297.20743	3.0
299.22162	1.9
307.19012	2.1
315.21823	0.6
325.20120	11.7
343.21240	14.4
361.22421	6.6
361.29294	0.7
403.09821	0.7
403.22971	1.1
461.27438	2.1
477.26651	1.1
479.24976	1.2
485.20087	1.8
485.91989	0.7
505.26373	6.9
523.27423	100.0
524.27954	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	523.2184
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03381	0.5
58.87119	0.3
59.01292	5.4
59.01627	0.9
68.41963	0.3
70.94533	0.5
71.01291	2.6
72.99216	0.3
73.02853	1.2
73.03235	0.4
75.00824	0.3
75.31048	0.3
83.01318	0.5
85.02845	2.6
88.98738	0.7
89.02333	0.9
93.03342	1.2
95.01321	0.3
96.95911	0.5
99.00750	0.4
101.02439	1.4
108.02056	0.6
109.02948	3.7
110.98602	0.2
111.04401	0.3
113.02338	0.8
119.03400	0.3
121.02951	11.4
121.03767	0.5
122.03740	10.8
122.04556	0.6
123.00748	0.3
123.04496	1.6
124.01537	0.9
129.01826	0.8
129.03349	0.7
134.03615	0.8
135.02905	0.6
135.04523	1.3
136.05157	1.1
137.02432	1.7
137.05942	0.4
146.03653	0.3
146.65070	0.3
147.04507	4.4
148.05196	0.6
149.05977	0.8
154.02600	1.0
155.10637	0.3
160.05226	0.3
161.04518	0.6
161.05960	2.0
164.04723	0.3
165.05557	21.9
166.05823	0.6
173.05942	0.3
175.07599	0.5
178.06233	0.9
179.07127	7.1
191.01859	0.4
191.06993	0.6
209.07982	0.8
223.09703	0.7
283.09653	0.3
298.11960	0.7
301.11465	0.3
301.20227	0.4
307.08328	0.7
313.14490	1.2
315.12292	2.1
316.13031	0.4
331.15179	0.5
343.15527	0.3
346.14191	9.1
347.14221	0.3
361.16531	100.0
362.16849	4.7
463.25809	0.6
481.26675	0.5
523.10663	0.3
523.27808	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	521.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98840	0.6
66.57758	0.4
71.43764	0.5
71.44119	0.6
95.03802	0.3
97.23041	0.4
98.20789	0.3
99.04541	1.1
134.03702	0.5
140.82234	0.4
155.14464	1.0
160.01776	0.4
175.04065	0.7
193.05157	0.6
224.63406	0.4
255.34439	0.4
461.36685	1.3
517.71930	0.5
521.25818	1.4
521.35016	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	523.1764
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
56.86478	0.8
58.33355	0.8
58.55506	0.9
60.77073	1.1
61.98838	1.1
71.01383	0.9
71.27950	1.4
71.28315	1.5
73.52747	0.8
78.95902	54.1
85.02324	0.9
99.92579	15.1
100.93359	1.2
106.87691	0.8
110.98534	9.2
111.15025	0.8
115.92070	22.0
116.92079	1.8
116.92846	13.3
150.98006	1.1
155.95241	1.2
157.91925	0.8
158.74132	0.9
163.89647	1.2
164.90477	1.4
164.99658	1.0
178.88429	12.4
179.89215	26.5
180.90039	8.3
181.90714	1.6
193.05116	0.8
193.90756	32.4
194.91541	20.0
196.89478	35.9
210.91164	1.0
236.92534	2.4
248.92628	1.7
249.93497	2.3
255.23198	4.9
261.95477	0.9
266.93686	2.4
371.15359	1.4
411.18335	5.1
475.15710	1.6
505.16980	1.2
523.17651	100.0
524.18011	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	521.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57670	1.6
59.01379	56.7
61.98824	5.1
70.53162	5.8
71.01392	3.9
77.24921	1.6
78.95905	3.8
79.13396	1.5
80.91682	29.6
87.78265	1.6
95.07841	1.7
98.19972	1.9
98.20476	1.8
99.00620	2.1
113.08530	1.6
114.88786	1.6
125.09750	1.8
127.11324	8.9
129.48466	1.6
131.79694	1.6
141.12880	3.6
152.99588	8.3
171.13916	36.6
287.20126	2.6
288.27692	1.7
299.20114	5.1
315.23306	7.7
427.31946	1.8
461.36346	100.0
462.36685	4.5
521.75897	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
57.03439	1.3
58.00594	0.5
59.01378	59.3
60.89583	0.5
61.98836	4.2
71.01384	12.3
71.54631	0.5
72.99312	0.5
73.02953	4.6
75.00846	0.5
83.01379	2.4
83.09014	0.4
85.02953	8.0
85.06561	0.5
87.00897	1.3
89.02462	2.6
95.01393	1.4
96.95991	0.5
97.02949	0.7
99.00868	1.1
101.02451	9.8
103.04005	1.6
111.00912	0.6
113.02450	5.2
121.02926	0.6
132.94589	0.5
155.14511	0.5
159.03041	0.5
161.04527	1.3
211.05923	0.5
255.19763	0.9
273.20691	4.4
287.22128	0.5
288.91995	0.5
297.20688	0.7
299.25967	0.6
341.27054	2.3
359.28134	1.5
398.53491	0.5
417.29135	0.7
435.25656	2.3
461.31155	3.5
477.27023	12.3
479.32718	0.9
503.32736	0.8
514.35260	0.6
521.33441	100.0
522.33832	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75175	0.5
55.01889	0.9
56.67126	0.5
57.03439	2.3
58.00590	0.7
59.01380	71.3
61.98833	2.3
70.16528	0.5
70.16879	1.8
70.34111	0.4
71.01382	15.1
71.05038	2.1
72.99310	0.9
73.02956	5.3
75.37923	0.5
75.73162	0.5
83.01422	2.0
84.24931	0.5
85.02948	13.7
87.00925	1.4
89.02439	5.0
95.01433	1.3
99.00928	1.8
99.08208	1.5
101.02441	11.0
103.04009	14.2
111.00963	0.5
113.02438	5.6
115.92109	0.9
116.92227	0.5
116.92850	2.5
119.03590	1.6
127.11349	0.8
143.10780	8.6
159.02913	0.5
161.04704	1.9
199.13481	1.1
247.08316	0.7
252.39711	0.6
253.21950	0.7
255.19846	1.2
264.09912	0.6
265.09253	3.9
273.17929	0.9
273.20712	19.8
274.21320	0.9
287.12457	0.5
287.22775	1.5
297.20676	10.2
315.18680	0.6
341.27579	0.5
377.22391	0.6
417.25867	0.6
435.26913	1.9
461.31348	3.0
477.27032	14.8
478.27969	0.9
479.33130	0.6
503.33310	1.1
521.14087	1.7
521.34241	100.0
522.34937	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	521.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
57.03439	1.3
58.00594	0.5
59.01378	59.3
60.89583	0.5
61.98836	4.2
71.01384	12.3
71.54631	0.5
72.99312	0.5
73.02953	4.6
75.00846	0.5
83.01379	2.4
83.09014	0.4
85.02953	8.0
85.06561	0.5
87.00897	1.3
89.02462	2.6
95.01393	1.4
96.95991	0.5
97.02949	0.7
99.00868	1.1
101.02451	9.8
103.04005	1.6
111.00912	0.6
113.02450	5.2
121.02926	0.6
132.94589	0.5
155.14511	0.5
159.03041	0.5
161.04527	1.3
211.05923	0.5
255.19763	0.9
273.20691	4.4
287.22128	0.5
288.91995	0.5
297.20688	0.7
299.25967	0.6
341.27054	2.3
359.28134	1.5
398.53491	0.5
417.29135	0.7
435.25656	2.3
461.31155	3.5
477.27023	12.3
479.32718	0.9
503.32736	0.8
514.35260	0.6
521.33441	100.0
522.33832	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82681	0.4
55.01877	2.8
57.03449	3.5
58.00588	1.7
59.01380	39.9
60.54873	0.3
61.98831	3.2
69.03474	0.8
70.49232	0.6
70.49638	0.6
71.01380	42.0
71.05043	0.4
72.99306	2.7
73.02949	10.6
75.00871	0.7
81.03463	0.9
83.01388	5.7
83.05035	0.8
84.02198	0.4
85.02949	18.4
87.00861	2.1
87.04528	1.0
88.98824	0.8
89.02444	19.0
95.01389	3.6
97.02956	1.1
97.06605	0.7
98.20464	0.5
99.00883	4.0
101.02442	26.1
103.04015	0.5
111.00883	1.5
113.02451	17.1
114.98619	0.8
116.92883	0.3
119.03506	7.5
119.04964	0.6
121.02948	0.5
123.04540	1.7
125.02438	1.3
129.01929	1.0
131.03488	0.8
132.99680	0.4
143.03494	2.6
143.10780	3.3
148.17273	0.3
149.04573	0.7
149.99960	0.5
151.00735	0.3
159.03041	1.9
159.10287	1.4
161.04547	7.7
161.13382	1.9
167.03508	2.5
179.05600	2.6
190.74704	0.3
191.01961	0.3
191.03531	0.5
193.04956	0.4
211.17009	0.6
265.09241	0.4
273.07626	4.5
273.17239	0.5
297.07693	0.8
299.22241	0.3
299.25836	0.8
305.16122	0.6
311.26004	1.0
323.25916	0.5
341.26929	2.2
359.28009	22.0
360.28452	0.6
417.24661	0.7
443.30472	0.5
477.14078	0.7
477.27206	0.9
485.31268	2.6
491.32840	0.5
503.32306	9.9
521.33441	100.0
522.33887	4.9
535.77948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17264	0.3
55.01872	2.3
57.03450	5.0
57.18014	0.3
58.00591	1.5
59.01381	30.6
60.01712	0.6
61.98832	8.1
69.03464	0.9
69.25218	2.5
71.01381	29.1
71.05000	0.5
72.99306	1.9
73.02950	9.1
75.00858	0.8
80.92391	0.3
83.01393	4.2
85.02948	14.4
85.06581	1.5
86.00114	0.3
87.00885	1.9
87.04516	0.7
88.98795	1.4
89.02450	11.1
90.98582	0.4
95.00810	0.4
95.01387	2.8
95.05006	0.5
96.96027	0.4
97.02958	0.7
97.06591	2.5
98.19863	0.5
99.00878	3.0
99.04534	0.4
101.02444	20.6
103.04015	0.4
111.00878	1.4
113.02452	12.1
119.03506	4.1
119.04993	0.3
123.61809	0.3
125.02481	0.6
129.01950	0.8
131.03505	0.5
134.06125	0.3
141.01923	0.3
143.03505	0.6
143.10764	2.6
159.02982	1.1
161.04543	3.7
163.03990	0.4
167.14447	0.3
179.05595	1.0
179.14432	0.5
182.66187	0.3
197.15511	0.7
205.48491	0.2
211.16985	0.4
223.20645	0.5
237.18649	0.4
255.19736	0.9
265.09357	0.5
271.22821	1.1
297.24435	0.4
299.25909	0.7
305.24655	0.3
311.25900	2.5
313.27521	0.4
323.25885	1.1
341.26849	0.4
359.28043	17.6
360.28506	0.6
372.20868	0.4
414.22308	0.8
417.24805	0.4
433.28036	1.0
435.25720	0.6
461.30820	0.4
473.31424	0.7
477.27213	2.9
503.32147	1.6
521.33337	100.0
522.33740	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	521.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58568	0.7
55.61975	0.7
59.01373	2.4
61.98830	1.3
70.07824	1.5
78.95869	1.4
82.65173	0.8
91.03976	1.0
95.05001	0.9
105.03466	6.5
116.63220	0.8
118.83541	0.8
132.02139	3.3
133.02959	32.0
134.03758	6.7
135.04480	2.6
137.02466	3.6
139.03929	1.0
147.04587	1.0
148.05284	2.8
149.02457	0.8
149.06105	2.0
150.03342	0.9
158.07397	1.1
160.01651	23.3
161.02443	16.6
161.06073	2.8
171.08171	1.0
175.03995	57.4
177.01888	2.0
178.02701	2.2
179.03499	1.8
193.05128	5.2
204.11635	0.8
233.08144	2.0
247.09741	1.3
261.11331	1.2
271.22791	7.1
275.12988	1.5
289.14349	1.1
317.17572	1.8
327.19626	1.2
331.18903	1.4
345.20609	3.5
347.25797	1.4
361.27570	2.7
373.23697	1.0
415.24896	10.3
429.26422	20.0
433.25955	3.2
447.21219	1.8
447.27454	35.7
448.27661	1.4
506.28693	3.3
510.26535	0.8
521.31158	100.0
522.31311	5.7
527.58142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3117
Annotation	20-Hydroxyecdysone 2-acetate
Peak:m/z	Relative Intensity
52.58127	0.6
53.08596	0.6
54.58383	0.6
57.03438	1.6
59.01379	16.5
61.98832	1.7
72.67683	0.5
83.05026	1.3
85.06610	0.5
85.38770	0.5
97.06585	1.2
99.04496	2.1
105.28345	0.6
111.08134	1.6
115.91567	0.6
123.08158	2.8
125.09710	0.7
127.11273	2.0
137.06073	0.8
137.09724	3.1
149.06108	1.4
149.09659	0.9
150.06854	19.1
150.08049	1.0
153.09195	1.0
155.10751	1.8
162.06860	40.8
163.07652	6.8
164.08383	1.7
171.10205	1.0
176.08397	4.0
177.09198	15.2
179.10811	3.1
179.29156	0.6
184.11093	0.8
225.37114	0.6
231.13931	1.1
235.17007	0.6
243.13904	0.7
261.18610	2.5
279.19666	0.8
343.21228	28.0
344.21292	0.9
386.02914	0.7
387.25394	2.0
442.27054	1.0
443.27872	0.9
460.28452	1.2
461.28659	1.2
503.30081	22.8
504.30539	1.6
521.31201	100.0
522.31689	6.6
549.20660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.3
57.03158	0.4
57.03447	7.7
58.00583	0.6
58.15172	0.2
59.01380	8.4
69.21144	1.3
69.21568	0.8
71.01381	6.0
71.05010	0.3
72.99305	0.3
73.02942	0.8
77.98199	0.2
83.01379	0.6
85.02953	11.8
85.06595	2.0
87.00893	0.6
89.02441	1.9
97.02958	0.3
99.00919	0.3
99.04512	0.6
101.02446	2.1
101.06063	0.4
103.04012	23.4
113.02434	1.9
119.03490	0.6
127.11291	2.7
139.11316	0.3
143.10779	11.5
145.05035	0.4
155.14403	0.4
170.41982	0.2
213.18594	0.6
223.14211	0.2
247.08215	1.0
253.21785	0.3
255.19704	0.9
257.21277	0.4
265.09253	5.7
273.20700	27.7
274.21072	1.0
287.22256	4.6
297.20694	18.7
298.20889	0.8
309.20889	0.3
315.21732	1.5
461.31451	0.3
477.27197	0.4
479.31891	0.3
521.29626	100.0
522.29956	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	521.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97874	0.3
57.03451	3.2
58.00601	0.5
59.01377	13.5
59.52460	0.3
61.98809	1.0
71.01028	0.5
71.01379	6.9
71.05025	2.6
72.99287	0.4
73.02911	1.2
81.07027	0.3
83.01373	0.7
83.04987	0.3
85.02953	12.4
87.00867	0.4
89.02433	1.9
98.19913	1.0
98.20599	0.8
99.00826	0.4
99.04479	0.6
99.08154	2.6
101.02444	2.5
101.06001	0.4
103.04012	23.5
113.02447	2.1
113.09644	0.3
116.92792	1.1
117.05539	0.5
119.03464	0.7
120.72489	0.3
125.09657	0.5
127.11234	0.8
141.09189	0.9
141.12776	1.0
143.10771	14.0
145.04951	0.6
161.04474	0.5
167.10747	0.3
171.10167	0.9
244.95613	0.3
247.08165	1.2
253.21672	0.6
255.19684	1.4
265.09290	6.0
272.06015	0.3
273.20697	29.7
274.21063	0.8
287.22290	1.7
297.20706	19.4
298.20871	0.5
315.21634	0.5
359.28275	0.4
461.30731	0.4
477.26996	1.8
521.29413	100.0
522.29718	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	521.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.4
58.00619	0.5
59.01380	16.1
61.98856	0.9
71.01380	7.9
71.05023	4.1
72.99332	0.4
73.02946	1.7
82.88077	0.2
83.01434	0.8
85.02951	13.8
87.00901	0.6
89.02451	2.1
95.01405	0.5
96.32405	0.2
98.19884	0.6
98.20597	0.8
99.00922	0.3
99.04533	0.5
99.08157	3.2
101.02454	3.3
101.06123	0.5
103.04011	25.2
113.02448	2.5
116.92869	0.3
117.05597	0.4
119.03545	0.8
123.08162	0.3
125.02415	0.3
127.11307	1.2
127.25044	0.2
141.09241	0.8
141.12865	1.1
143.03554	0.3
143.10782	16.2
145.05101	1.1
149.09741	0.3
157.05101	0.3
159.03046	0.2
161.04581	0.7
163.14915	0.2
171.10309	0.6
178.84375	0.2
213.18750	0.2
214.80937	0.2
247.08194	1.6
253.21590	0.7
255.19684	1.0
265.09262	6.6
271.19116	0.2
273.20703	31.9
274.21158	1.0
287.22275	2.6
297.20697	19.9
298.21042	0.5
309.20865	0.5
315.21655	1.0
315.25018	0.3
461.31207	2.1
461.53796	0.2
477.26779	0.3
479.32019	0.9
521.29456	100.0
522.29767	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	521.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.9
58.00594	0.6
59.01379	9.8
61.98830	0.8
71.01385	6.6
71.05035	0.3
72.99312	0.6
73.02924	1.1
81.03416	0.3
83.01403	0.8
85.02949	12.6
87.00888	0.6
89.02437	2.0
97.06612	0.5
99.04527	0.6
99.08148	1.4
101.02448	2.3
101.06049	0.4
103.04013	24.1
105.58952	0.3
111.71336	0.3
113.02423	1.3
113.09697	0.8
115.92025	0.4
119.03503	0.7
120.60246	0.3
127.11293	2.4
141.09293	0.4
143.10786	10.5
145.05032	0.6
146.21158	0.3
185.30109	0.4
213.18593	1.3
247.08257	1.0
255.19734	1.4
265.09286	5.6
273.20703	28.2
274.20892	0.5
287.22293	5.8
297.20709	16.5
298.21124	0.4
315.21680	1.2
323.60727	0.4
351.22946	0.5
417.24942	0.6
477.26923	2.6
521.29633	100.0
522.30035	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	521.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88684	1.1
55.01865	2.5
57.03444	6.9
58.00578	2.3
59.01379	89.4
61.98825	14.2
69.03461	1.7
71.01382	49.5
71.05008	2.6
71.30855	2.8
72.99306	3.8
73.02946	17.4
83.01375	7.9
85.02455	1.9
85.02952	26.0
87.00858	6.1
87.04508	2.0
87.35366	1.2
88.98789	3.8
89.02442	21.1
95.01370	4.7
96.95975	2.5
98.20326	1.6
99.00879	6.6
99.04501	2.1
99.08130	2.2
101.02442	34.2
103.03998	4.0
108.02164	2.4
109.02930	3.6
109.97058	1.4
111.00885	3.0
113.01733	1.7
113.02455	17.8
117.22686	1.2
118.72910	1.1
119.03508	8.2
119.05029	1.6
121.02924	1.3
123.04539	1.3
125.02426	4.5
127.11283	2.6
129.01920	2.9
135.62384	1.4
137.02429	1.8
137.05968	1.8
143.03448	3.5
143.10745	1.7
149.99603	1.3
153.01851	1.8
159.03029	2.0
159.10254	1.2
161.04549	6.3
167.03493	2.5
168.00565	2.1
171.10295	1.9
179.05554	4.0
255.19652	5.5
265.09167	1.8
273.07587	3.1
273.17682	1.7
273.20709	30.9
274.21146	1.7
311.25739	1.8
359.14911	2.5
359.23959	2.4
359.27994	25.3
417.25034	12.0
419.48795	1.5
435.25983	35.2
461.31299	2.3
463.21616	2.5
477.27023	100.0
478.27460	3.3
503.24979	2.2
521.13019	2.5
521.33691	92.0
522.33008	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	521.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72486	0.6
55.01866	1.0
57.03438	1.0
59.01383	29.8
61.98823	1.2
69.03492	0.6
69.39072	4.4
71.01385	13.6
71.05032	1.1
73.02946	3.3
78.95220	0.6
82.94593	0.6
83.01378	1.8
84.24886	0.6
85.02951	5.4
85.43259	0.5
86.36725	0.7
87.00871	3.7
89.02444	3.6
95.01371	1.8
97.02949	0.8
98.19910	0.8
99.00900	1.4
99.08125	1.6
101.02441	8.0
103.03966	0.8
111.00946	0.6
111.08179	0.6
113.02444	3.9
124.01621	0.8
125.02391	1.2
127.11304	1.4
141.12839	1.2
143.10786	1.2
148.26575	0.6
161.04555	0.9
171.10316	1.7
255.19644	2.7
273.17679	1.1
273.20715	22.2
285.20831	0.9
359.28207	1.2
417.24957	9.4
435.26004	33.2
436.26114	1.0
457.21494	0.7
461.31268	3.3
477.27026	100.0
478.27362	3.8
479.32272	1.7
521.33600	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	521.2027
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
57.43802	0.4
59.01388	2.4
59.60830	0.4
67.32410	0.4
69.03461	0.5
69.16221	1.3
69.16642	3.2
71.01373	2.6
72.99302	2.1
73.02945	0.8
79.05550	0.5
81.03453	0.7
83.01392	0.5
83.02197	0.4
83.05002	1.1
85.02950	1.7
87.00888	0.6
93.03448	2.0
93.85426	0.5
95.04962	0.8
97.02982	0.6
97.06571	0.5
98.20659	1.2
99.00890	4.9
99.04524	0.8
99.46761	0.4
101.02408	0.7
107.05025	0.8
107.50538	0.4
109.02930	1.6
109.03608	0.4
109.06551	0.5
111.04533	2.4
113.02443	0.5
119.05044	0.6
121.02972	5.7
121.06608	2.4
123.04501	2.4
125.06053	0.8
127.04001	2.1
131.04967	0.6
133.06635	0.6
135.04521	1.3
137.06023	1.3
139.03987	1.3
139.07593	0.5
147.04541	1.2
149.06062	4.3
151.03983	1.6
151.07620	1.4
161.06120	1.1
165.05536	1.3
167.07103	0.6
173.09735	0.8
175.04016	0.7
175.07735	0.7
177.05496	1.4
193.05081	2.0
194.05588	0.5
211.06085	0.9
217.12389	2.3
217.14232	0.5
222.14307	0.6
227.10814	0.7
255.12312	0.7
255.16014	0.6
337.16531	0.8
355.84094	0.5
389.12439	1.2
397.16449	0.8
415.17392	1.2
431.20639	0.9
441.19037	0.9
459.15701	1.1
459.20322	2.5
475.19556	0.6
477.21286	11.5
503.19260	8.6
504.19897	0.7
521.20233	100.0
522.20416	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	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01378	6.7
59.21917	0.4
61.98818	0.6
62.84021	0.4
63.76994	0.4
64.72614	0.4
64.91761	0.4
71.01379	3.4
71.31245	0.7
73.02948	3.2
74.02450	0.8
85.02956	3.0
87.00866	0.4
89.02444	0.6
96.96018	0.5
97.02948	0.4
99.00851	1.1
101.02460	2.2
111.00930	0.5
113.02438	1.8
116.03528	0.6
121.02950	3.6
122.03736	1.4
123.00887	0.8
123.04515	0.6
136.05278	1.3
137.02420	0.7
147.04503	2.1
149.02402	2.0
150.03255	4.1
158.03725	1.8
159.04500	7.4
159.18727	0.5
160.05289	24.0
161.04573	1.4
161.06056	7.6
163.04004	4.6
163.13905	0.4
164.04785	5.8
173.06070	2.8
175.07631	23.1
176.04781	0.9
177.05548	6.5
178.06354	10.1
192.07919	2.3
193.08673	2.7
229.10762	0.9
299.18497	0.5
314.11533	0.8
329.13919	100.0
330.14175	4.5
359.15002	4.7
377.18170	1.1
383.06418	0.4
405.24704	0.5
419.19144	0.7
423.14050	1.3
459.18585	0.6
521.26532	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	521.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01381	18.5
60.01700	0.5
60.99305	11.9
61.98827	4.6
71.01383	4.9
72.99296	0.7
73.02950	2.6
73.28476	0.5
82.34906	0.5
83.01401	0.6
85.02932	2.7
87.00888	1.0
88.98805	100.0
89.02456	1.4
96.96098	0.5
99.00872	0.7
101.02441	3.0
101.09119	0.5
103.04021	1.5
113.02441	1.3
116.92889	0.7
117.84217	0.5
118.54243	0.5
119.03556	0.6
132.64644	0.5
139.11263	1.0
142.22960	0.5
148.91029	1.0
151.00403	1.0
161.04533	0.8
167.03503	1.3
171.46786	0.6
183.10333	1.4
186.01582	0.5
197.11852	0.6
240.30458	0.6
243.12401	1.2
243.19516	0.5
273.07547	1.1
277.32730	0.5
285.13431	0.8
339.02219	0.6
341.07700	0.5
359.15021	1.2
414.22177	0.7
417.23337	1.6
431.19150	4.1
504.35831	0.6
521.23621	11.2
521.32910	1.9
522.25372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
58.00585	2.7
59.01109	1.5
59.01380	19.7
69.88754	4.1
71.01385	10.9
72.76696	1.2
73.02943	3.9
79.95708	2.2
83.01380	2.4
84.25630	1.1
85.02931	4.7
87.00877	2.4
88.98799	1.7
89.02428	4.1
96.96011	12.8
99.00888	2.2
99.04499	1.5
101.02460	3.3
113.02433	4.7
116.92827	2.0
119.03491	2.0
122.06120	6.7
122.06858	1.1
123.04475	1.3
132.04579	1.4
135.04510	1.9
143.03418	1.3
144.04538	4.7
146.06148	3.4
147.03232	2.2
149.06081	1.7
150.05573	2.5
160.04092	2.6
161.04686	2.0
162.05424	1.5
167.00166	1.8
172.03998	4.5
173.04735	3.5
174.05566	4.0
175.03810	1.4
176.07138	3.9
177.05562	2.2
179.05690	1.4
188.07159	2.7
190.04964	1.5
202.05008	2.1
203.05785	1.5
204.06676	8.8
205.03835	1.3
206.08258	1.5
214.39047	1.3
217.05011	2.5
221.04474	8.4
223.08530	1.3
226.12318	1.3
227.11859	1.8
229.13617	1.6
231.05315	4.8
232.06181	1.6
237.10245	3.3
238.11115	3.0
239.08102	1.6
239.11821	1.6
240.08875	2.0
241.09731	2.9
248.05656	2.6
251.11995	1.7
253.06288	2.5
253.09694	2.8
253.13438	13.2
254.10399	1.7
255.11241	4.8
261.04059	2.8
262.07217	2.3
263.08124	1.3
266.06924	1.6
267.07642	3.7
267.11447	1.8
268.08408	4.7
269.09283	3.2
269.12845	4.1
279.11374	3.1
280.08600	2.3
281.09375	6.6
282.10095	4.2
283.10880	5.6
295.07614	2.3
295.10852	10.8
296.11533	7.7
297.12415	49.8
298.12946	1.9
311.14023	5.0
321.06110	4.9
323.10297	3.2
323.14053	1.4
325.11871	12.6
328.10468	2.3
337.11902	2.6
338.05331	1.5
339.13437	2.3
341.11194	1.5
353.11346	3.8
355.12979	64.6
356.13513	2.7
363.09720	1.8
367.12979	8.2
369.10779	3.1
381.10822	3.7
391.13223	2.0
399.11932	100.0
400.12170	3.6
401.13458	4.4
409.13962	1.6
411.11917	13.5
429.12988	2.7
431.14545	81.1
432.14819	4.2
439.12747	1.9
441.12335	9.9
443.14578	8.8
453.12921	7.7
461.15616	6.6
471.14093	2.4
483.11490	5.5
485.15390	2.8
489.15076	17.9
503.16733	2.2
521.09479	3.1
521.17767	28.1
521.25964	22.0
522.18237	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78776	0.8
59.01378	8.3
69.26671	0.8
69.77399	0.8
69.83994	1.9
69.84400	3.3
71.01391	5.5
72.99290	2.1
73.02950	2.2
75.00869	27.7
81.03445	1.4
85.02936	2.7
87.00878	3.0
87.07561	0.8
89.02454	6.6
99.00874	1.3
101.02463	2.6
113.02435	1.5
119.03462	1.2
119.98183	0.8
139.87062	0.9
143.03477	6.3
156.32732	1.0
156.56566	0.9
161.04541	4.3
172.03572	0.8
179.05605	100.0
180.05945	1.3
204.26913	0.8
225.87575	0.9
272.42911	1.1
336.88144	1.0
341.10837	7.5
532.62744	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.8
58.00593	0.5
59.01380	28.2
61.98833	2.5
63.96263	0.4
71.01382	12.8
71.05023	0.3
71.36433	0.2
71.54321	0.4
72.99307	1.2
73.02952	1.2
79.05546	0.3
83.01418	1.3
85.02950	14.2
87.00900	0.7
89.02445	11.2
95.01376	1.1
96.96034	0.6
99.00894	0.5
99.04513	0.6
99.92575	0.3
101.02444	10.2
101.06100	0.5
103.04012	22.3
108.02160	1.8
109.02953	1.4
113.02448	5.9
113.03174	0.5
115.92079	1.3
116.05897	0.3
116.92857	3.7
119.03516	5.1
121.03007	0.3
127.11330	0.4
131.03523	0.4
135.04535	0.3
136.01959	0.3
143.03528	0.7
143.10791	0.5
145.05066	0.8
152.01122	1.7
153.01883	0.8
161.04543	0.8
162.06828	0.4
165.01909	0.3
177.09174	0.4
179.05627	1.1
181.23335	0.3
192.98721	0.3
201.88260	0.3
210.05733	0.3
228.77419	0.3
229.08698	3.0
244.04117	0.7
245.04509	1.1
247.08308	0.5
265.09271	100.0
266.09576	1.7
273.07767	0.9
273.20645	1.4
297.20596	0.7
315.07611	0.3
316.06305	0.5
317.06586	0.7
317.11700	0.3
341.26974	1.1
359.28021	1.9
369.13678	0.3
417.28857	0.5
435.25494	0.6
461.25717	0.3
461.31546	1.6
477.18176	0.6
477.26700	2.0
479.22485	0.4
479.32388	0.5
483.45053	0.4
503.31897	0.5
521.16907	9.3
521.34015	13.4
522.16919	0.6
522.33203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1612
Annotation	Daljanelin A
Peak:m/z	Relative Intensity
51.32710	1.5
56.90751	1.5
59.01378	13.0
61.98824	3.9
71.01382	3.0
71.06988	3.5
78.95902	65.8
82.53777	1.6
93.09644	1.7
98.20921	1.5
99.92580	21.8
110.98515	11.3
115.92094	14.2
116.92847	19.6
148.68353	2.0
153.01425	1.8
163.89890	1.9
164.99600	4.3
167.01117	4.2
178.88419	22.6
179.89200	28.9
180.90036	13.5
193.89134	2.1
193.90787	35.0
194.87933	3.0
194.91586	13.3
196.89478	76.5
197.89436	2.5
210.91078	8.5
220.93085	2.4
235.91779	2.5
236.92610	4.0
248.92618	8.0
249.93419	2.5
250.94182	22.3
252.92142	3.7
257.74893	1.7
266.93713	10.4
267.94577	3.0
503.15088	11.0
521.16119	100.0
522.16565	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	520.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15782	0.8
56.89322	0.7
59.01379	55.4
61.98829	100.0
63.06884	0.6
69.17890	6.2
69.18295	1.7
70.12232	0.6
70.57132	0.7
71.01376	5.4
71.02526	0.7
73.02956	2.3
83.01402	0.7
85.02953	3.4
89.02436	1.9
98.20266	3.9
101.02441	4.3
113.02471	2.8
131.13626	0.8
149.05103	0.8
161.04578	1.6
209.15501	1.2
230.31744	0.7
247.32045	0.7
261.11118	0.7
265.55750	0.8
353.19675	4.2
359.27911	1.0
371.20709	8.3
413.21890	13.1
440.44296	0.8
521.33295	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	520.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
57.03442	4.7
59.01378	86.9
60.01698	1.6
61.98829	100.0
69.30567	12.7
71.01378	22.1
73.02943	6.1
78.84772	1.3
83.01375	3.5
85.02940	14.5
88.98798	4.1
89.02438	7.8
95.01393	2.2
96.96011	2.9
99.00878	3.1
101.02432	16.8
111.00851	1.6
113.02445	10.5
116.80006	1.4
119.03485	3.2
127.22687	1.5
128.71507	1.4
134.50758	1.5
147.27026	1.4
161.04541	3.0
299.25558	1.6
311.25891	1.7
353.19620	4.4
359.28082	7.7
371.20737	8.2
400.24188	2.0
413.21613	13.9
477.27075	2.2
520.24969	4.2
521.33319	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	519.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98837	1.0
67.79127	0.5
69.69104	2.2
69.69518	1.1
73.72097	0.6
98.20599	1.0
121.81971	0.5
187.70821	0.5
209.11858	1.4
257.28699	0.6
283.26501	3.0
362.76450	0.5
401.34274	0.9
439.54498	0.6
440.31125	0.6
445.33203	3.9
459.38791	2.1
460.18915	0.7
519.20966	0.8
528.48010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
64.36040	0.7
66.91281	0.6
71.01065	1.2
71.01418	1.0
73.55384	0.6
74.82797	0.6
78.34953	0.6
78.35404	0.6
94.69021	0.6
103.38477	0.6
121.02970	0.7
132.55002	0.6
326.50323	0.6
414.83990	0.7
445.33286	0.9
447.51678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27648	18.5
59.01368	49.5
61.98822	63.0
66.49334	14.6
98.20292	90.0
128.99692	14.7
431.37527	16.5
519.28638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3174
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01874	1.8
57.03196	0.3
57.03451	2.5
58.00594	0.6
59.01381	38.1
61.98834	3.4
69.03440	0.5
69.21603	1.1
69.22016	2.5
71.01383	26.1
72.99316	1.5
73.02953	7.2
75.00879	0.5
78.17014	0.4
83.01386	4.4
85.02954	14.9
85.06609	0.4
86.00081	1.0
87.00883	1.4
89.02447	5.9
95.01382	2.8
96.96017	0.7
97.02950	0.9
99.00876	2.6
99.04528	1.8
101.02441	15.7
102.25655	0.4
103.04007	1.9
106.06625	0.4
111.00923	0.6
111.04493	0.7
112.45950	0.3
113.02451	10.0
116.92841	1.3
118.97968	0.4
119.03522	2.2
125.02490	0.7
129.01933	0.7
132.51248	0.3
143.03517	0.9
149.04553	0.3
159.02974	0.6
161.04561	3.5
238.31331	0.4
265.06808	0.5
265.09271	1.7
266.09726	1.0
267.09940	0.6
271.19232	0.6
272.09464	0.7
312.50159	0.4
313.27460	0.7
321.24362	1.2
339.25363	1.4
357.26587	0.6
399.23920	0.6
439.23505	0.7
459.19333	0.6
459.24506	0.8
459.29819	1.7
475.25366	3.4
475.32278	0.7
477.24713	0.9
477.30627	1.4
487.19943	1.2
501.30780	1.8
519.31812	100.0
520.25940	0.5
520.32385	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	519.281
Annotation	Sedumoside F2
Peak:m/z	Relative Intensity
51.71307	1.0
55.01868	0.9
57.03443	5.8
58.00592	1.2
59.01378	65.8
60.01682	1.1
61.98833	4.8
68.32401	0.7
69.03447	1.0
71.01382	23.3
71.05009	1.0
71.53826	1.1
72.99310	1.6
73.02946	23.4
83.01385	12.3
85.02950	29.1
87.00865	1.9
89.02426	7.7
92.29800	0.7
95.01373	1.8
97.02979	0.9
97.06607	1.5
99.00883	1.6
99.04552	1.4
101.02441	18.1
103.04012	47.5
113.02435	7.7
119.03484	2.5
121.02983	0.9
123.08143	1.7
125.02439	0.8
127.07641	1.7
129.02007	1.3
136.42308	0.6
141.09166	1.6
145.05054	2.0
157.05006	0.7
161.04599	1.7
163.75436	0.7
171.06659	1.8
211.17043	1.4
215.95993	0.9
247.08144	6.0
265.09280	24.1
271.19141	10.0
295.19086	1.0
307.10324	52.0
308.10724	0.8
339.25235	0.9
357.26474	2.7
433.25638	3.8
453.21738	0.8
459.29401	2.0
477.30228	0.8
501.30850	1.8
519.27319	100.0
520.27820	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	519.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10583	0.7
51.25426	0.7
54.85567	0.8
57.03439	3.3
58.00581	1.0
59.01379	100.0
60.01707	1.4
61.98830	20.3
66.36818	0.9
71.01011	1.5
71.01384	22.1
71.54115	1.4
72.99329	1.2
73.02945	10.3
83.01389	3.0
83.05037	1.1
85.02952	11.2
87.00909	1.1
87.04509	1.1
88.04663	0.9
89.02445	9.0
91.26221	0.7
96.96030	7.5
99.00858	1.7
99.04517	1.8
101.02443	15.5
103.04009	6.1
113.02435	9.2
114.98564	0.9
116.92837	1.1
119.03497	3.4
125.02446	1.4
127.11228	0.9
143.03510	1.6
161.04549	2.9
179.05612	0.9
209.11745	0.9
227.16518	2.1
253.17943	1.2
265.09241	2.4
271.19110	6.8
285.20685	1.3
295.19144	2.4
315.25342	3.1
399.23758	0.9
415.23413	2.5
417.25467	0.9
433.24173	4.0
459.29996	5.1
475.25497	48.3
476.25751	2.8
477.24008	1.1
477.30411	3.4
501.30905	2.7
519.27197	13.7
519.31433	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	519.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35725	1.1
55.01882	1.5
58.00597	1.2
59.01380	39.5
61.98837	5.3
71.01388	12.0
72.84821	1.2
73.02950	7.1
73.34680	1.1
78.52934	1.0
83.01397	2.7
83.05025	9.4
84.80476	1.2
85.02937	7.1
87.00853	1.5
89.02468	5.3
92.82661	1.1
98.20705	1.9
99.00898	1.6
99.04507	2.6
101.02450	8.8
111.04524	1.4
113.02448	5.1
113.09734	3.5
119.03501	2.7
175.38992	1.0
183.17526	3.6
209.15472	6.7
227.14325	2.6
227.16524	37.0
245.19156	1.1
253.18004	1.9
297.18579	1.3
415.23355	15.6
433.24374	24.0
434.24609	1.5
457.23761	1.4
461.23514	2.0
475.25458	100.0
476.25888	6.1
477.24161	1.5
519.24445	14.0
519.31628	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	519.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
57.03448	4.9
59.01378	64.5
59.90261	0.7
60.01689	2.0
60.99293	1.9
61.98830	47.8
63.02397	4.0
65.00320	8.0
65.79181	0.7
65.84498	0.7
69.03431	2.2
69.21338	2.6
69.21758	4.0
71.01381	29.0
72.99279	1.7
73.02944	10.9
83.01389	11.4
83.05009	1.2
84.02130	1.2
85.02471	1.3
85.02947	21.4
87.00841	2.5
87.04478	1.2
88.98805	8.3
89.02431	6.4
93.03448	9.3
95.01377	4.8
96.95991	2.1
97.02931	1.0
97.06498	1.0
98.20430	3.4
99.00829	2.7
99.04488	1.7
101.02445	12.7
103.03969	3.6
107.00742	1.0
107.01398	12.3
108.02113	2.4
109.02901	2.8
111.00837	0.8
113.01742	1.1
113.02452	18.6
114.02746	0.8
119.03446	3.3
119.05023	31.0
121.02957	15.2
121.06560	0.7
122.03683	2.5
123.04472	1.8
124.01611	1.0
125.02408	2.2
135.04494	1.6
136.01605	1.6
137.02443	1.2
143.03459	2.3
147.04451	2.9
150.03195	1.4
151.00362	51.4
160.05330	1.0
161.04495	3.3
161.06010	8.5
163.03925	1.3
164.01059	2.2
164.04755	4.0
165.01842	2.8
165.04355	0.8
165.05562	8.7
169.01357	1.3
173.06021	1.1
177.01910	8.0
178.06276	1.0
179.05612	1.2
179.07048	2.3
181.12234	0.9
191.01941	1.6
195.99976	0.9
225.11246	1.1
253.14281	0.8
265.09174	2.4
271.06104	100.0
271.15311	1.9
272.06451	4.1
282.08981	1.6
297.11362	3.6
299.01743	1.6
300.02551	2.1
312.13541	4.9
315.05161	1.5
315.12848	2.5
325.14008	1.5
327.15854	2.1
341.13916	1.0
342.14749	4.5
357.13367	0.9
357.17062	7.6
357.26389	1.4
360.15668	3.6
366.75421	0.8
375.13617	1.4
375.18048	19.6
376.18155	1.2
413.21811	0.8
415.23083	1.1
475.12457	39.9
476.12231	2.3
477.24863	1.4
519.22266	46.1
520.22528	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	519.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31145	0.3
58.13799	0.3
59.01385	4.6
61.98835	2.1
65.00360	0.6
71.01381	1.2
72.27035	0.3
73.02950	1.0
83.01391	0.7
85.02959	0.9
86.48387	0.3
88.98818	0.3
89.02437	0.6
96.62136	0.3
98.19804	0.2
101.02444	1.1
103.04060	0.3
105.71080	0.3
107.01387	1.0
108.02195	1.2
113.02449	0.5
123.00852	0.3
132.60266	0.3
135.00914	0.4
139.03920	0.3
144.96985	0.3
148.01700	1.3
151.00348	3.2
155.05023	0.3
163.00334	0.7
164.01163	0.7
165.01961	0.3
171.04503	0.6
171.76305	0.3
175.04054	0.4
183.04475	0.6
185.86809	0.3
199.04022	2.7
201.01854	0.6
203.03415	0.5
211.03957	0.3
215.03453	1.3
216.04326	0.6
219.06386	0.4
226.02620	1.0
227.03479	3.9
229.01312	0.4
242.02275	0.3
243.02969	11.2
244.03551	0.7
254.02145	1.3
255.02975	21.9
256.03394	0.8
271.02466	73.4
272.02939	3.6
283.02597	0.3
285.03989	1.0
299.01962	60.8
300.02728	100.0
301.03116	3.5
314.04337	12.1
315.05090	93.6
316.05399	3.2
323.02438	0.3
357.06165	0.6
403.23309	0.7
459.09277	0.8
491.12210	0.4
519.11420	46.7
519.24017	1.2
520.11908	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.8
59.01381	90.9
60.01714	3.1
61.98830	100.0
69.03445	0.8
69.35092	1.4
69.35498	3.7
70.01378	0.8
71.01380	12.2
73.02942	2.7
76.32968	0.6
83.01380	1.5
85.02953	6.7
86.03288	0.9
87.00855	1.1
89.02427	1.3
94.04604	0.6
97.02950	0.8
98.20240	2.8
99.00847	1.4
99.04517	0.9
101.02434	4.4
102.02795	0.7
103.04004	0.9
108.08169	1.5
109.06622	0.7
113.02408	2.8
119.03506	0.9
125.93905	0.7
129.01959	0.9
137.09674	1.5
143.03445	0.9
149.05925	0.6
150.05511	1.1
161.04446	2.0
191.01891	0.7
192.11346	2.1
203.05588	8.9
207.13895	20.2
208.14052	0.9
265.09079	1.6
315.13013	2.8
396.82779	0.8
398.22028	0.8
409.70474	0.8
416.23270	1.6
424.78036	0.8
455.18259	0.7
458.23599	2.7
467.21118	0.8
473.23026	0.9
474.24261	9.1
476.23059	1.2
500.86743	0.8
518.23822	3.2
519.24854	3.0
525.94525	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54749	0.4
57.03436	0.9
58.00591	0.6
59.01380	47.1
60.01725	1.0
61.98830	100.0
69.15901	4.3
69.83783	0.4
71.01382	15.3
72.99311	0.6
73.02944	19.1
81.03483	0.5
83.01381	6.1
85.02956	3.3
87.00858	1.0
88.98814	0.4
89.02433	4.3
93.03469	0.5
95.01412	0.7
97.03003	0.6
99.00874	0.6
99.04571	0.5
101.02443	17.5
103.04023	0.6
107.01406	0.8
113.02445	6.2
119.03522	2.2
119.05041	2.2
125.02476	0.6
129.01956	0.5
131.03490	2.6
137.35605	0.4
143.03523	1.7
149.04573	3.2
151.00406	1.9
155.03522	0.6
161.04549	6.5
189.12894	1.5
192.40613	0.4
198.22005	0.4
203.05606	0.8
221.06752	1.0
237.49834	0.5
265.09509	0.5
269.20825	0.5
271.06082	5.5
271.15564	0.6
300.02664	0.8
315.05069	0.5
357.13446	0.7
458.25171	0.5
518.29803	0.9
519.11371	0.6
519.24005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05293	0.5
57.03450	1.0
59.01380	36.9
60.01718	1.3
61.06148	0.4
61.98830	100.0
71.01378	8.7
72.99294	0.6
73.02943	13.1
73.39135	0.5
83.01384	3.7
85.02952	2.7
87.00890	0.6
88.98801	1.0
89.02449	3.2
90.39310	0.5
96.96008	1.0
101.02438	14.1
103.04017	1.1
113.02456	4.9
119.03494	1.8
120.99693	1.3
128.03545	0.9
129.01994	0.6
131.03491	0.9
136.01631	0.5
143.03540	1.8
143.04593	0.7
147.02968	0.5
149.04590	2.1
151.04021	0.7
161.04565	4.1
161.05844	0.6
213.95894	0.5
214.32942	0.6
221.06813	0.9
243.03041	1.9
255.03029	1.6
271.02429	4.7
299.01962	6.6
300.02679	5.7
306.07791	1.5
314.04306	3.2
315.05106	9.0
315.08420	0.7
357.13852	0.6
396.13947	0.7
403.23624	0.8
458.24872	0.8
477.74896	0.6
518.28113	1.4
519.11609	6.0
519.19440	0.7
519.23969	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59520	0.3
52.15539	0.3
52.32397	0.4
59.01379	100.0
60.01702	0.4
61.98822	0.4
69.34722	2.6
76.37660	0.3
98.20600	0.6
114.01694	0.3
147.42259	0.3
232.97516	0.4
263.08737	0.4
373.27652	1.1
457.36813	3.9
459.18552	0.4
518.19861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13860	0.2
57.63389	0.2
59.01380	100.0
60.01701	0.4
65.12681	0.2
67.41777	0.3
70.84325	0.5
85.58865	0.2
90.23653	0.2
138.29951	0.2
156.61583	0.2
222.98375	0.2
282.31259	0.2
285.83966	0.3
296.39508	0.2
305.33563	0.2
373.27307	1.2
406.95605	0.2
425.16339	0.2
431.40857	0.2
457.36945	4.3
458.37524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	23.5
59.04191	12.5
61.98825	26.1
80.96519	15.5
83.80361	11.3
121.03022	12.5
135.08539	12.0
152.51135	12.8
216.00052	12.1
229.40715	14.0
371.97159	12.4
454.22675	17.0
517.27240	100.0
518.27655	19.3
525.98682	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	517.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.7
59.01381	100.0
61.98833	3.5
71.01384	9.7
71.05025	0.7
71.54206	0.8
72.99342	0.9
73.02943	5.6
83.01397	2.3
83.05073	0.8
85.02948	6.3
87.00891	1.3
89.02441	3.7
91.94158	0.7
96.96017	1.4
99.00903	0.7
101.02452	7.1
103.04042	2.4
105.76772	0.6
113.01767	0.9
113.02450	4.2
119.03532	1.7
128.03551	1.7
129.02008	1.0
130.69771	0.7
140.38460	0.7
143.03580	0.8
143.04660	1.5
147.03032	1.0
151.68755	0.7
161.04601	2.9
187.11452	0.9
191.01988	1.6
191.03583	4.2
221.06763	0.9
247.08386	0.8
251.12857	1.0
259.86234	0.7
265.09442	1.5
269.13730	0.8
283.82602	0.6
306.07809	2.4
313.07239	1.6
324.58752	0.7
343.50476	0.7
397.22256	3.2
415.23291	7.3
457.24515	14.1
473.24582	1.3
475.23508	2.1
501.23526	1.7
510.21753	0.8
517.22595	5.6
517.29974	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2663
Annotation	Terragine A
Peak:m/z	Relative Intensity
54.02143	0.3
55.01870	0.5
57.03446	4.0
58.00587	0.5
59.01379	21.6
61.47281	0.4
61.98817	1.7
71.01379	8.5
71.05009	0.9
71.54542	0.3
72.99332	0.7
73.02956	2.0
79.05537	0.4
82.30779	0.4
82.95401	0.7
83.01387	1.4
83.05029	0.4
85.02950	15.5
85.47672	0.3
86.41112	0.3
87.00880	1.2
87.04518	14.5
89.02450	4.8
95.01394	0.4
95.05006	0.9
96.96042	0.5
99.00863	0.8
99.04530	1.9
101.02448	4.1
103.04012	27.2
109.06633	0.4
111.04492	0.6
113.02435	2.4
117.05598	0.4
119.03492	1.8
121.02941	0.4
123.04535	11.9
145.05081	0.8
147.04578	0.4
157.05060	0.4
161.04570	0.9
161.13344	2.1
179.05710	0.3
205.12341	1.4
207.17540	1.1
245.11766	1.2
247.08170	1.3
265.09271	19.1
269.14389	0.5
269.17557	6.4
275.16339	0.4
283.19296	0.8
293.17584	10.3
307.10190	0.9
311.18524	0.9
357.17075	0.5
375.18002	0.7
417.19092	1.9
457.22452	0.5
473.23950	0.6
475.22214	1.4
517.26526	100.0
518.26917	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	517.2444
Annotation	Taxinine L
Peak:m/z	Relative Intensity
50.18369	0.6
53.23194	0.6
57.03490	1.7
57.89629	0.6
59.01102	0.8
59.01381	22.1
60.76176	0.7
61.98870	2.1
62.97563	0.6
67.01928	0.7
69.03514	2.4
71.01380	6.1
79.05575	1.0
81.03511	2.3
83.05022	10.0
84.02205	0.9
85.03007	3.0
89.02471	0.9
95.05077	2.4
97.02988	1.9
97.06617	1.4
98.19882	1.7
99.04520	4.7
101.02480	1.2
102.35097	0.6
103.04083	2.7
107.05072	1.9
109.02991	1.0
109.06598	12.1
109.07273	1.1
111.04526	9.7
111.08211	1.0
120.72165	0.6
121.03040	1.5
121.06663	2.0
123.04527	27.9
125.06062	0.9
127.04062	1.9
133.06628	1.6
135.04562	1.8
135.08179	1.1
137.06085	7.6
139.07678	1.7
141.05621	2.3
145.06677	1.4
147.08171	1.2
148.05457	0.6
149.06099	3.1
149.09729	0.8
151.07637	1.5
157.10291	0.8
161.06096	3.3
163.07693	0.8
167.07149	6.9
167.08505	1.0
173.09641	0.7
175.07600	1.4
175.11357	1.2
183.08162	1.2
185.08319	0.7
185.09764	2.8
189.09233	1.1
191.10808	2.0
193.08672	3.7
199.11353	1.6
201.09366	0.9
209.09706	7.4
212.08450	0.8
215.10788	0.8
217.12344	4.4
219.10214	3.8
221.85104	0.7
225.09343	1.1
225.12871	1.1
227.10771	8.8
230.09570	1.0
245.11810	100.0
246.12155	2.6
253.12483	3.3
265.09207	1.4
269.17551	1.2
271.13397	27.8
272.13611	1.5
283.19211	0.8
367.18796	0.7
395.18307	1.5
403.18973	1.4
413.19489	1.0
421.19891	2.1
422.30920	0.7
431.20523	2.6
439.21045	2.7
457.22437	4.7
459.87637	0.7
473.21686	3.0
475.23288	8.9
499.23050	1.6
517.24292	40.8
518.24518	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	517.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52037	0.5
57.03448	2.6
59.01379	100.0
61.98829	13.3
70.04031	1.9
70.04439	1.0
71.01381	10.9
72.99302	0.9
73.02943	5.2
73.03300	0.5
82.95431	1.0
83.01379	1.4
85.02953	7.4
87.00865	1.3
87.04509	0.7
89.02441	3.9
95.01405	0.7
96.96011	1.1
97.02988	0.5
99.00883	0.8
99.04534	1.4
101.02441	9.3
103.03999	2.9
113.02462	4.9
113.26368	0.5
115.00455	0.9
119.03541	1.7
119.71059	0.6
125.02515	0.7
125.06008	0.5
129.01973	1.2
131.03625	0.7
134.03798	0.7
135.08173	0.7
143.03520	0.5
147.02986	0.7
153.09303	0.5
161.04594	1.8
163.04012	0.7
175.02507	1.9
179.05640	0.8
186.85393	0.6
191.01973	0.5
193.05132	1.4
197.13420	0.6
202.96074	0.5
203.05737	0.8
207.13934	2.0
251.12898	0.5
265.09299	4.0
266.44757	0.5
269.14114	1.1
269.17712	1.5
304.97656	0.5
355.15643	0.8
371.20630	0.7
377.36990	0.5
397.22260	2.8
413.22607	0.8
415.23419	5.7
431.23050	0.7
457.24377	7.8
473.23935	29.1
474.24664	1.7
474.73386	0.6
517.23114	5.1
517.30005	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38811	0.6
57.03448	3.7
58.00577	1.0
59.01379	50.4
61.98828	5.8
70.28965	1.3
71.01386	10.2
72.99265	1.0
73.02934	3.6
81.03426	1.0
81.27104	0.6
83.01371	1.9
83.05018	1.0
85.02457	1.0
85.02943	14.7
87.00854	0.8
87.04487	0.9
89.02444	8.8
96.96005	1.0
98.20519	0.9
99.04526	4.4
101.02438	10.5
103.04008	27.5
109.06551	3.0
109.23052	0.7
111.04475	0.9
113.02444	4.2
119.03500	3.6
121.06550	0.8
123.04505	3.0
133.06560	0.7
143.03500	0.8
149.04524	0.8
161.04504	1.1
165.12811	2.2
167.06981	1.2
179.05571	1.1
185.09662	0.7
189.12802	1.7
191.10713	0.7
193.08789	0.8
207.13872	8.5
209.11835	5.0
225.14934	1.1
227.10591	0.8
233.11795	2.7
245.11826	9.4
251.12843	3.4
265.09259	43.1
266.09610	2.0
267.09653	1.5
269.13953	18.2
269.16980	1.5
271.13403	2.4
307.10239	1.5
371.17056	2.9
399.67618	0.7
415.23251	1.4
431.18893	3.8
455.22754	0.7
457.20142	3.8
473.22894	4.1
478.38016	0.8
499.22028	2.9
517.22803	100.0
518.23041	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	517.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
59.01382	17.6
61.98801	0.7
71.01380	10.9
72.99303	1.0
73.02960	0.8
83.01389	1.7
85.02951	11.9
87.00883	1.0
89.02444	12.0
90.68982	0.7
95.01377	1.4
96.96009	0.9
101.02441	7.4
103.04015	16.6
108.48466	0.8
109.02955	0.7
111.04480	0.8
113.02473	4.8
119.03509	4.7
121.52342	0.8
131.01787	0.6
131.03473	1.2
134.03728	2.4
135.04529	2.5
145.05122	1.0
149.06068	1.3
157.36433	0.7
175.02534	3.6
175.03850	1.2
178.02690	2.1
179.05637	0.8
189.05580	0.9
193.05077	4.4
221.04539	2.0
265.09271	100.0
266.09622	2.7
271.28232	0.7
281.11176	0.6
293.06500	1.6
337.05457	1.4
349.15210	0.8
517.13501	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	517.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32907	1.3
55.01881	1.2
57.03441	2.6
59.01380	52.0
61.98539	1.9
61.98829	25.7
63.99241	5.4
69.03452	2.3
69.69054	6.9
71.01382	15.2
72.99322	6.6
73.02934	4.8
81.03450	2.9
83.05038	1.9
85.02459	1.8
85.02950	22.2
87.00865	7.0
88.98795	1.4
89.02431	4.7
93.03461	3.6
95.01395	1.7
95.05018	4.7
97.02944	6.3
98.19771	1.4
99.00883	36.8
99.04482	2.0
101.02444	8.4
103.03994	1.2
107.05032	3.4
107.64282	1.1
109.02935	3.6
111.04500	10.2
113.02441	12.2
121.02972	7.3
121.06638	6.5
122.03643	1.3
123.04520	5.3
125.02442	7.4
127.03976	3.9
129.01953	2.6
135.04532	2.3
135.08177	1.6
137.02438	1.5
137.06036	3.6
139.03995	2.6
147.02953	2.2
147.04535	1.9
149.06094	6.9
150.03162	2.3
151.03979	5.6
151.23885	1.3
155.63225	1.2
161.04585	1.5
165.05571	7.9
167.03513	7.6
169.05203	1.3
171.08211	1.7
173.09674	3.1
175.04012	1.3
176.04749	2.4
177.05559	2.5
177.09119	1.7
179.03404	1.2
179.07120	5.0
183.06601	3.5
191.01927	2.1
193.05060	15.6
194.05794	1.5
196.60991	1.2
201.09224	17.7
205.08630	1.6
207.06619	10.4
209.03064	6.8
211.06108	62.2
212.06403	1.9
226.72789	1.2
231.10201	3.2
260.42752	1.3
265.09341	2.4
295.10620	1.4
334.07971	1.2
381.13419	1.8
387.10919	2.3
407.14838	1.6
413.22794	3.0
425.15884	3.7
443.17133	43.6
444.17563	2.2
469.15012	1.5
517.17157	100.0
518.17389	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	517.156
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
57.03445	1.3
59.01382	12.2
69.34633	7.9
71.01363	6.3
73.02924	1.1
73.83802	1.0
75.00879	1.8
81.07959	0.9
83.01380	3.9
85.02946	7.9
87.00858	1.6
89.02452	4.5
93.03451	1.5
96.96001	3.3
101.02436	4.1
109.02965	1.2
111.00861	2.2
113.02464	3.5
119.03517	1.5
119.05056	1.7
121.02964	2.9
123.00983	1.1
129.01917	2.5
133.02872	1.5
133.06570	4.5
134.03740	57.0
135.04152	1.1
137.02448	11.3
139.04022	2.8
145.02956	6.0
145.06543	1.2
147.03040	1.1
147.08078	0.9
149.02415	1.2
149.06067	20.4
150.03180	1.4
163.04005	1.5
163.07690	1.2
173.06062	3.6
175.03951	2.9
175.78294	1.0
178.02704	42.5
191.01970	1.1
191.07101	3.4
193.05043	100.0
194.05403	2.1
205.05122	1.3
209.03053	1.8
217.05040	2.7
259.06085	1.8
265.07233	1.3
281.09238	1.1
303.07037	1.5
348.53229	1.2
386.77533	1.1
397.11404	19.4
475.14066	1.1
517.15588	44.9
518.16016	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1412
Annotation	Scytonine
Peak:m/z	Relative Intensity
55.01845	1.4
57.03440	4.5
58.00582	1.2
59.01378	35.4
67.01878	2.6
69.03439	3.7
70.22401	2.0
70.22788	2.3
71.01379	43.8
72.99305	45.2
73.02945	46.6
75.00868	5.2
80.19789	1.1
83.01389	6.0
85.02947	53.6
86.03260	1.1
87.00877	21.1
89.02444	15.4
95.01391	12.3
96.96014	2.9
96.99310	1.3
97.02931	1.9
99.00886	10.5
101.02442	25.8
103.04002	3.9
113.02444	94.0
114.02762	2.8
115.00362	8.1
116.59170	1.0
119.03491	8.9
125.02425	1.5
129.01929	16.4
131.03496	44.4
135.02954	1.2
157.01408	16.1
161.04535	4.4
164.75764	1.1
175.02466	100.0
176.02863	1.5
179.05623	7.6
191.27744	1.1
193.03531	3.0
217.00273	1.8
221.06621	1.8
235.04550	1.6
265.05634	1.3
293.08765	17.7
294.09113	1.2
337.07730	16.1
355.08746	1.6
374.99078	2.2
397.09830	2.4
427.11020	2.0
457.11917	7.3
517.14081	80.5
518.14453	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	517.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61435	1.1
57.03408	1.2
59.01378	15.0
62.99110	1.3
69.88104	2.9
69.88511	3.4
71.01378	17.4
72.99299	2.7
73.02938	1.4
83.01384	2.8
85.02950	8.8
87.00871	12.5
89.02434	5.1
98.20576	1.7
99.00876	3.1
100.76043	1.2
101.02420	5.9
109.02956	6.9
111.00886	2.2
113.02415	4.7
114.65942	1.1
115.00367	20.2
118.20309	1.2
119.04981	2.2
127.00352	3.8
129.01935	2.0
134.03702	6.3
135.04520	100.0
136.04829	2.2
137.06024	3.5
138.79425	1.1
139.00316	3.3
142.06224	1.2
147.04489	2.9
149.06068	8.9
157.01408	12.4
159.04488	4.1
161.02414	3.1
161.04645	1.7
161.06001	2.3
162.03215	1.5
163.03963	2.1
165.05510	3.1
166.39871	1.2
174.03162	1.7
175.02431	50.3
175.03972	23.3
177.01784	1.4
177.05540	1.6
178.02672	6.5
179.03491	13.1
179.05101	1.6
179.05598	1.4
181.05096	2.6
187.03989	3.0
188.04898	1.4
189.01901	1.8
189.05547	6.4
190.02666	1.7
191.03497	6.1
193.04997	6.6
201.05696	2.2
203.03487	27.9
204.04234	3.0
205.04985	3.3
206.02202	8.1
215.03468	2.9
219.02971	7.5
220.03674	4.1
221.04532	49.9
222.04916	2.0
233.04460	8.2
237.04039	6.0
245.04686	1.8
247.02339	2.9
247.06023	1.8
249.07712	1.4
257.04535	1.4
265.03516	28.2
275.05661	7.1
277.03445	3.1
288.11752	1.1
293.06659	31.0
319.04437	2.9
335.06375	1.2
337.05084	30.3
355.06668	5.9
412.48438	1.4
454.59927	1.2
455.11865	2.7
499.10754	12.6
517.11853	50.5
518.12207	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	517.0035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66824	0.4
55.83401	0.3
56.66962	0.4
59.01377	63.9
70.11047	1.8
90.97124	1.2
98.19923	0.4
101.49728	0.4
104.94481	0.4
118.96599	0.5
132.98196	1.9
140.14574	0.4
156.99892	0.9
157.03574	1.0
159.01486	0.4
172.57726	0.4
174.99240	27.8
179.05917	0.4
201.02541	9.2
217.00281	100.0
218.00612	1.2
292.96255	0.5
299.00961	0.6
314.98758	0.7
321.42200	0.4
343.03690	0.5
359.01443	14.9
361.97931	0.4
374.99182	64.7
375.99615	1.2
516.95404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.0
61.98828	100.0
87.15575	0.6
98.79967	0.7
130.11818	0.6
130.90128	0.6
142.20660	0.6
188.67336	0.7
214.37999	0.7
232.70207	0.8
336.85562	0.7
348.25977	1.0
498.24063	0.7
500.21652	1.3
501.22473	2.3
516.24768	26.5
517.25085	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3739
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.28003	0.6
54.13760	0.6
58.47131	0.5
59.01378	100.0
60.01712	0.7
70.67588	1.3
78.95899	1.0
96.95975	0.7
141.63887	0.6
293.13370	0.8
347.25842	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68449	0.4
59.01369	0.7
61.98829	0.5
66.91116	0.4
71.01369	0.6
71.53448	0.5
72.99300	1.4
73.02972	0.5
75.00871	100.0
101.02435	0.5
168.09283	0.3
175.33943	0.4
277.21722	3.1
291.23282	2.3
293.21109	0.5
301.21698	0.4
319.22815	0.9
347.25729	0.5
476.22830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68449	0.4
59.01369	0.7
61.98829	0.5
66.91116	0.4
71.01369	0.6
71.53448	0.5
72.99300	1.4
73.02972	0.5
75.00871	100.0
101.02435	0.5
168.09283	0.3
175.33943	0.4
277.21722	3.1
291.23282	2.3
293.21109	0.5
301.21698	0.4
319.22815	0.9
347.25729	0.5
476.22830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2648
Annotation	Illicidione C
Peak:m/z	Relative Intensity
55.01867	1.5
57.03491	0.7
59.01384	15.2
60.00359	0.8
63.48531	0.8
68.29799	0.8
70.53165	2.3
71.01377	1.0
79.05533	6.6
83.05006	1.4
91.41548	0.8
97.02957	0.7
97.06580	1.6
98.52623	0.8
99.04524	38.8
119.08677	1.4
121.06627	1.3
125.06080	1.3
147.08192	1.7
159.08147	2.5
161.09709	3.0
168.59203	0.8
187.11272	1.7
189.12920	1.4
201.12767	1.2
215.14413	1.5
228.89253	0.8
241.14259	1.3
295.15442	3.7
299.20026	1.0
329.21335	1.0
347.22281	15.7
373.20178	14.1
373.24597	1.4
429.26523	7.4
455.24469	19.0
456.25049	1.1
473.25443	86.5
474.25903	3.5
497.25616	1.1
515.26514	100.0
516.26880	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	515.2132
Annotation	hesperadin
Peak:m/z	Relative Intensity
57.03439	2.7
57.40582	0.5
59.01381	28.1
69.22061	5.2
71.01388	8.7
72.99301	0.8
73.02907	0.9
83.01381	0.6
83.05028	1.0
85.02950	14.4
87.00876	2.1
89.02437	10.1
97.06668	0.6
101.02439	7.3
103.04015	29.4
107.05009	0.8
113.02435	3.6
117.05600	0.8
119.03495	4.6
120.05792	0.9
143.03467	0.9
145.05066	1.3
161.09743	3.3
161.13336	2.1
163.11270	1.4
179.05556	0.6
187.11273	3.8
189.09233	2.0
203.10812	0.8
205.12321	2.9
207.10326	1.1
223.13394	8.5
237.68144	0.7
249.11305	1.3
265.09265	50.7
266.09607	1.7
267.12329	6.9
294.29575	0.6
369.15579	3.0
411.15982	0.7
429.17535	6.3
453.21240	1.2
455.19107	3.9
497.20206	1.5
515.21289	100.0
516.21417	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	515.2491
Annotation	Eriojaposide B
Peak:m/z	Relative Intensity
57.03451	5.7
58.00573	1.0
59.01379	39.8
61.98832	4.0
69.03447	1.8
71.01012	1.1
71.01382	12.7
71.05029	1.3
72.99326	1.5
73.02943	7.9
75.00846	0.7
83.01402	4.2
83.04990	2.5
85.02461	1.0
85.02949	17.9
87.00854	2.4
87.04529	3.8
89.02449	4.4
95.01382	0.9
95.04989	0.8
96.95984	1.3
97.02911	1.3
99.00868	0.9
99.04530	4.8
101.02440	7.6
103.04008	28.2
109.06548	1.2
113.02476	4.4
113.06025	0.6
119.03472	2.2
121.02893	1.1
123.04539	1.1
125.02398	1.1
125.06062	1.1
133.10197	0.7
135.11784	0.8
141.09171	1.4
145.05023	1.2
153.09166	1.4
155.07083	0.8
161.04468	1.5
167.10759	1.3
171.10477	0.7
177.09138	1.3
179.10727	1.7
193.12248	1.0
209.14478	0.7
247.08139	2.3
265.09290	15.7
267.16022	10.3
281.17419	1.6
285.49866	0.8
291.16034	3.5
307.10327	12.1
309.17029	3.6
311.96875	0.7
350.60193	0.8
355.15393	0.9
455.24313	6.4
473.26984	1.3
497.25159	1.5
515.24945	100.0
516.25317	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	515.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67421	0.7
53.59287	0.6
55.52660	0.6
57.03442	4.9
58.64698	0.6
59.01377	38.0
62.06911	0.6
67.51945	0.6
70.24110	1.3
70.24509	1.6
71.01015	0.8
71.01384	13.6
71.04999	1.0
72.12855	0.6
73.02937	1.5
83.01398	1.4
83.05020	1.4
85.02950	21.1
85.03468	1.3
87.00867	2.5
87.04536	0.7
89.01938	1.1
89.02448	14.2
95.01397	0.7
99.04482	1.5
101.02441	11.2
101.06088	1.0
103.04013	39.2
103.56757	0.7
107.05093	0.9
113.02428	4.8
117.05556	1.0
119.03506	5.9
143.03497	0.9
145.05074	1.5
145.98683	0.7
147.40561	0.7
161.04564	0.8
161.09744	3.5
161.13370	1.9
163.11249	1.8
179.05638	1.5
179.81111	0.6
187.11259	5.0
189.09142	2.5
203.10860	1.1
205.12285	1.4
207.10147	1.0
211.31207	0.7
223.11356	1.0
223.13388	9.7
229.12366	1.0
247.08197	0.8
249.11224	1.5
265.09268	62.4
266.09442	1.7
267.12283	7.0
267.15796	1.0
307.10165	1.3
309.13232	1.0
318.73389	0.7
339.14532	0.9
361.19089	0.6
366.11575	0.7
369.15652	3.4
429.17499	5.2
430.18097	1.0
453.21146	1.2
455.19427	4.3
463.85822	0.9
471.22308	1.4
497.19833	1.6
515.21222	100.0
516.21594	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	515.2133
Annotation	hesperadin
Peak:m/z	Relative Intensity
55.50705	0.5
55.95256	0.6
57.03449	3.8
59.01379	30.3
69.46235	2.6
69.46652	1.3
70.26791	0.6
71.01025	0.8
71.01383	11.2
72.99282	0.6
73.02923	1.1
83.01366	1.3
83.04998	1.3
85.02951	16.5
87.00869	2.7
89.01960	0.7
89.02449	10.7
92.77744	0.6
97.02934	0.7
101.02441	8.2
103.04010	34.6
106.70456	0.6
113.02452	4.1
117.05489	0.7
119.03520	5.2
135.11694	0.6
137.06018	0.5
143.03453	0.8
145.04947	1.0
161.09598	2.3
161.13289	1.7
163.11230	1.2
171.64372	0.6
179.10660	0.9
180.38396	0.6
185.13374	0.6
187.11270	3.4
189.09117	1.5
195.66386	0.5
205.12289	1.4
207.10048	0.9
223.13400	8.6
249.11285	0.9
265.09271	59.4
266.09375	1.8
267.12170	5.3
267.15195	0.9
307.10208	0.9
339.13760	0.7
369.15213	2.2
427.19458	1.2
429.17514	4.7
449.12869	0.7
453.20926	1.5
455.19135	4.0
515.20947	100.0
516.21265	3.6
526.68677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.8
59.01381	100.0
61.98824	4.9
66.01554	1.1
71.01382	16.1
72.98814	0.9
72.99303	1.0
73.02557	1.5
73.02950	18.0
73.41360	1.0
76.81226	1.3
81.03423	1.3
83.01385	5.4
83.05022	1.4
85.02952	7.9
87.00873	5.3
89.02454	4.9
97.06584	5.8
99.04542	1.9
101.02453	14.9
103.04005	7.8
107.05004	9.4
109.06594	1.4
113.02464	5.7
114.33667	1.1
115.64153	1.2
119.03504	1.3
120.05818	2.3
135.04546	2.7
135.08218	1.0
143.03505	1.9
143.72729	1.1
149.04517	1.1
161.04573	1.7
161.09723	8.4
161.13377	6.6
163.11302	1.5
182.11983	1.3
187.11285	15.4
189.09207	6.1
203.10709	2.2
205.12280	9.6
207.10222	2.8
223.13390	50.7
224.13857	2.2
229.12343	1.9
249.11307	11.6
249.14917	4.9
265.09341	9.7
267.12378	44.9
267.15927	6.3
268.12744	1.6
281.17368	1.1
289.07214	1.2
291.12402	1.6
365.17441	1.3
395.20605	1.6
455.22574	2.9
471.17819	5.0
471.22351	13.0
515.26117	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	515.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21063	1.0
50.36781	1.0
57.03452	2.9
59.01381	100.0
60.45295	1.0
61.98824	5.7
69.03456	1.4
69.15801	2.5
69.16207	10.0
71.01385	16.5
72.99337	1.4
73.02950	23.7
83.01393	7.5
85.02966	7.5
87.00881	3.2
89.02442	5.9
96.96008	3.3
97.06618	1.4
98.20557	3.9
99.01008	1.0
99.04528	4.0
101.02444	20.6
103.04026	2.2
107.05026	4.2
113.02474	6.1
119.03543	2.3
122.37171	1.3
125.02465	2.6
135.04510	2.1
143.03471	1.6
149.04579	2.0
161.04559	6.0
161.09695	4.2
161.13347	9.6
174.47716	1.1
182.40991	1.5
187.11317	6.3
189.09222	2.1
205.12326	19.3
207.10320	1.5
223.13411	19.6
229.12312	1.7
249.11308	22.4
262.14151	1.2
265.09268	4.2
267.12405	17.0
395.20773	1.7
437.00327	1.1
455.22736	2.8
471.18390	7.5
515.14368	4.8
515.21521	4.4
516.28314	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	515.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
55.69974	1.2
57.94637	1.2
59.01378	28.1
61.98820	1.7
69.03432	2.8
69.86366	3.2
69.86760	2.5
71.01377	19.8
72.99312	2.3
73.02943	11.2
83.01377	6.0
85.02942	9.4
87.00875	2.3
89.02435	11.6
91.23318	1.0
95.01368	2.6
96.95995	2.0
97.02959	2.4
98.20623	1.6
99.00880	1.9
101.02440	12.0
108.02163	1.9
109.02949	29.7
111.00870	7.4
113.02451	6.6
115.92632	1.2
119.03490	5.2
121.02960	6.3
123.04492	4.4
124.01678	1.8
125.02399	3.5
129.01941	1.5
131.05022	1.6
133.02966	2.3
134.03745	11.5
135.03496	2.5
135.04514	43.4
137.02440	2.4
139.03987	2.7
141.01961	2.7
143.03456	1.6
144.05981	1.3
145.02946	2.5
146.03673	1.9
147.04506	4.9
148.01700	1.7
148.04170	1.4
148.05313	18.5
149.02380	5.8
149.06058	5.7
150.03145	2.3
153.01915	4.0
158.03685	1.4
159.04445	3.3
160.01642	2.9
160.05296	8.7
161.02434	9.5
161.04533	2.9
161.06033	4.0
162.03220	23.2
163.03989	18.4
163.07608	3.4
164.04793	6.5
165.05545	1.8
167.03450	1.8
171.04453	2.9
172.05258	2.0
173.02367	2.7
173.06015	5.6
174.03214	5.0
175.03995	12.8
175.07655	2.7
176.01131	2.4
176.04742	10.1
177.05551	39.9
178.05966	2.3
178.69499	1.2
179.03456	1.1
179.05635	1.9
179.13914	1.2
182.30342	1.5
185.06064	2.4
187.03969	3.8
188.04738	4.9
189.05576	18.4
190.02716	9.8
190.06284	1.5
191.01816	1.8
191.03485	25.1
191.07126	6.1
194.02126	5.4
195.06596	5.3
199.03979	1.9
201.05531	7.2
202.06305	3.7
203.03404	2.2
203.07011	2.2
204.04259	14.9
205.05014	8.7
207.06596	13.2
213.05550	4.1
214.06360	6.7
215.03439	1.5
216.04262	2.0
217.04985	2.7
217.08646	3.2
219.03117	19.2
219.06595	48.5
221.04594	3.0
223.06122	5.6
229.05092	2.2
229.08672	5.4
230.05972	1.7
231.02991	1.5
231.06625	7.0
232.07373	3.7
233.04611	9.0
235.06157	8.1
245.04492	2.4
247.06111	1.8
247.09781	13.3
249.07700	11.5
251.05595	100.0
252.05936	3.9
253.06068	2.3
258.05322	11.3
261.04047	1.5
261.07581	2.9
263.05591	11.7
273.07672	24.9
275.05563	10.2
291.08755	4.5
293.06659	48.8
294.06671	2.0
309.09616	2.1
335.07675	7.4
347.97812	1.1
353.08517	1.5
439.73798	1.4
441.14041	3.3
453.14075	1.6
455.11884	3.4
471.14951	28.3
472.15027	1.3
473.13034	25.5
515.13940	71.6
516.14246	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	515.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21119	0.6
55.01873	1.0
55.88519	0.6
57.03442	1.0
59.01114	0.8
59.01382	11.0
61.98835	1.2
67.01892	0.8
69.03443	0.9
71.01388	10.3
72.99328	0.9
73.02938	7.4
75.00877	4.8
83.01385	20.7
85.02956	5.4
87.00871	1.2
87.57395	0.5
89.02458	1.4
95.01395	1.0
95.70211	0.5
96.96008	0.8
97.02973	1.2
98.20699	1.2
99.00883	1.4
101.02441	6.1
108.02192	0.7
109.02952	25.8
111.00896	1.1
111.52574	0.5
112.98544	0.7
113.02450	5.3
119.03519	0.5
119.05009	0.8
121.02971	1.7
122.03700	0.5
129.01952	5.5
131.03468	0.9
133.02951	5.8
134.03763	1.3
135.04532	16.5
137.02498	1.3
137.06070	0.9
141.01978	1.3
143.05045	5.7
143.47087	0.6
145.03032	0.6
146.03764	2.8
147.04480	1.5
148.01744	0.7
148.05298	1.0
149.02432	0.7
149.04910	1.1
149.06081	18.4
159.04562	1.7
160.05263	0.7
161.02438	38.6
161.06075	11.6
163.04008	2.3
165.05545	1.2
171.04507	9.5
172.05344	0.7
173.04532	1.3
173.06030	1.2
174.03226	7.2
175.03963	1.7
176.04709	1.2
177.05554	4.1
179.03496	4.4
187.03973	1.8
188.04765	3.1
189.05569	53.9
190.05960	1.5
191.01918	0.9
191.03534	1.5
191.07030	1.1
193.05179	0.9
203.07079	0.9
205.04997	1.1
207.06665	5.3
213.05614	0.7
219.03000	1.2
219.04883	1.3
219.06642	2.4
221.04503	2.9
231.06635	8.3
233.04532	2.2
235.06136	1.1
239.05573	0.9
249.07692	1.4
263.05615	2.1
275.05609	18.5
293.06693	3.5
295.46811	0.6
303.07172	1.7
311.07751	2.3
341.08752	1.5
345.08234	11.8
345.12106	1.0
351.10861	2.2
369.11844	7.6
395.09775	4.3
411.12927	6.7
413.10867	12.2
417.55255	0.6
455.11942	100.0
456.12210	4.5
473.13080	5.3
485.13068	0.6
497.12842	4.0
515.13989	10.1
515.21375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37081	1.9
55.01879	2.1
57.03441	4.9
59.01381	42.6
61.98812	9.0
69.03417	2.6
70.87965	3.6
71.01377	28.7
72.99298	2.8
73.02927	8.3
80.96503	2.4
83.01401	9.1
83.01797	2.1
85.02947	26.4
87.00877	4.4
89.02446	11.8
95.01359	3.7
96.96004	4.3
97.02921	3.1
99.00867	3.9
101.02449	17.2
105.03528	1.8
106.05097	1.7
109.02959	31.2
111.00849	7.0
112.54131	1.7
113.02451	11.2
119.03460	7.4
119.05011	2.6
121.02921	7.7
123.04498	3.8
124.01674	3.3
125.02392	3.8
128.90161	4.0
129.01894	6.1
129.05525	2.3
133.02939	2.5
134.02875	1.7
134.03755	16.4
135.04539	43.9
137.02382	2.4
139.03987	2.0
145.02951	2.6
147.04469	5.6
148.01619	2.3
148.05299	16.8
149.02390	8.8
149.06007	7.8
150.03181	3.0
153.01903	4.3
153.05473	2.4
159.04427	3.9
160.01627	3.8
160.05231	7.8
161.02437	10.8
161.04523	5.0
161.05974	5.4
162.03215	19.7
163.03009	1.7
163.04018	18.0
164.04747	6.6
165.05490	2.4
166.02705	2.1
171.04462	4.5
173.02356	2.6
173.06017	6.6
174.03127	4.1
175.03996	15.5
175.07594	3.0
176.04814	11.3
177.05553	34.8
178.02605	3.5
179.03452	2.7
179.05539	3.3
185.05992	2.4
187.04031	3.5
188.04677	5.6
189.05534	13.9
190.02637	8.2
191.02007	3.0
191.03502	26.5
191.07097	4.0
192.04129	2.4
193.04982	8.4
194.02109	2.5
195.06601	4.8
197.04535	2.2
201.05501	7.0
202.06186	2.9
203.03444	4.5
203.07167	2.4
204.04213	13.6
205.04964	5.0
207.06548	14.6
209.03082	2.5
213.05397	3.0
214.06390	3.8
215.03456	2.7
216.04123	2.5
217.04985	4.5
219.03114	20.4
219.06573	53.7
221.04430	5.2
223.05984	5.6
228.04161	2.1
229.08614	5.2
231.06537	8.6
232.07343	3.8
233.04523	12.1
235.05978	6.1
245.04440	3.5
247.09763	14.1
249.07693	12.7
251.05598	100.0
252.05785	4.7
258.05228	8.1
261.07584	2.3
263.05667	16.6
265.09332	3.4
273.07690	23.4
275.05484	9.7
291.08493	3.5
293.06631	49.7
311.07755	2.1
335.07593	7.1
347.09930	2.1
408.73239	2.0
441.14322	3.1
453.14206	2.8
455.11716	8.1
471.15042	30.6
473.12952	28.3
515.13867	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	515.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41156	0.5
55.01867	1.2
57.03447	1.0
58.00608	0.5
59.01379	13.1
67.01887	1.2
68.99559	1.0
69.03452	1.1
70.85735	0.9
70.86056	0.7
71.01378	13.4
73.02941	9.9
75.00868	6.0
83.01384	24.2
85.02965	3.8
87.00874	1.3
89.01939	0.6
89.02419	2.9
93.03414	1.0
95.01378	1.6
96.96014	1.1
97.02939	1.6
99.00911	0.9
101.02441	6.7
108.02192	0.6
109.02950	26.6
111.00836	1.2
111.81095	0.5
112.98549	1.0
113.02450	5.0
115.05521	0.6
119.05020	0.8
121.02952	1.6
125.02422	0.9
129.01956	6.2
131.03464	0.7
132.02118	0.9
133.02043	0.9
133.02950	7.5
133.06590	1.4
135.04520	15.5
137.02400	1.8
139.04018	0.7
141.01901	1.4
143.05034	6.3
145.02974	0.8
146.03711	2.4
147.04543	2.9
148.05310	2.1
149.06067	20.0
150.06400	0.7
159.04533	1.8
161.02435	43.1
161.06065	15.5
161.35583	0.6
162.02888	1.2
163.03973	1.9
163.07579	0.7
164.04750	0.7
165.05446	1.0
171.04512	10.8
172.05258	1.0
173.04623	1.1
173.05966	1.0
174.03247	5.6
175.03978	1.6
176.04779	1.2
177.05490	3.9
179.03455	2.7
187.03947	2.0
188.04810	4.3
189.05560	58.2
190.02618	0.7
190.05933	1.3
191.01920	0.8
191.03468	2.2
191.05441	1.1
191.07178	1.1
201.05615	0.9
203.07138	1.7
205.05019	0.8
207.06599	5.1
213.05537	0.8
219.03018	1.2
219.05078	1.9
219.06679	1.8
221.04559	2.8
231.06590	9.5
233.04507	2.5
235.06111	1.3
239.05801	0.6
249.07805	1.4
251.05528	0.8
263.05566	2.4
275.02664	1.3
275.05573	18.9
276.05957	1.0
285.06326	0.6
293.06757	3.9
303.07193	1.9
311.07651	2.4
345.08276	9.4
351.10736	2.6
369.11862	8.5
370.12088	0.7
395.09814	5.2
411.12943	7.6
413.10876	13.6
413.16052	1.0
414.10953	0.9
425.10837	0.8
443.11829	1.1
455.11917	100.0
456.12228	4.6
473.13062	5.7
497.13095	2.4
515.14050	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	514.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98830	100.0
66.69788	0.1
69.32064	0.6
85.02971	0.1
88.98813	0.1
102.95267	0.1
132.38860	0.1
228.23137	0.1
261.74622	0.1
264.77524	0.1
420.15967	0.1
514.16583	0.3
514.32452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
58.00562	1.3
59.01380	43.3
71.01385	35.5
72.99289	2.8
73.02950	2.8
75.00859	1.6
83.01386	3.3
85.02952	6.2
87.00863	2.9
89.02446	36.2
95.01390	3.5
98.19927	3.6
99.00865	6.2
101.01816	1.7
101.02435	16.1
106.15142	1.1
111.00887	2.4
111.04535	5.7
112.98815	12.3
113.02452	13.8
115.00380	1.6
119.03483	14.9
129.01941	3.0
131.03490	2.2
135.04367	1.1
142.99840	13.4
143.03505	3.4
145.01463	1.4
148.64749	1.1
161.04515	4.2
173.00925	10.9
173.04523	6.8
175.02505	1.4
179.05618	23.6
191.01978	1.2
200.72189	1.1
220.04819	1.0
223.27794	1.1
323.13171	5.6
341.10873	100.0
342.11029	2.2
383.79160	1.2
395.42401	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.3
57.03449	0.2
58.00602	0.2
59.01379	6.1
61.98829	0.1
69.03451	0.1
71.01381	5.1
71.52326	0.1
72.99305	0.4
73.02945	1.0
75.00859	0.1
78.95899	0.1
81.03438	0.1
83.01380	0.6
83.05020	0.2
85.02948	1.3
85.03468	0.1
87.00874	0.6
89.02446	4.1
91.04008	0.2
95.01386	0.4
97.02948	0.2
99.00874	0.2
99.04532	0.1
101.02443	5.2
103.04053	0.1
104.63500	0.0
110.06470	0.0
111.00891	0.1
112.01658	0.0
113.02451	2.3
113.06074	0.1
115.04013	0.2
119.03506	1.1
125.02473	0.2
127.07695	0.2
131.03519	0.2
133.05052	0.3
138.70888	0.0
143.03491	0.5
145.05029	0.1
149.04553	0.1
152.99576	0.1
157.05052	0.2
161.04556	1.8
161.05896	0.1
163.14952	0.0
179.05646	0.6
182.13077	0.1
197.11909	0.1
205.19704	0.1
233.15260	0.1
233.22696	0.4
235.08220	1.3
253.09279	17.5
254.09708	0.3
259.20642	0.4
275.20053	0.3
277.21704	100.0
278.22049	3.6
291.23181	0.1
315.47845	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
57.03445	0.1
58.00585	0.3
59.01379	5.7
59.98520	0.1
61.98824	0.1
69.03456	0.1
71.01382	4.8
72.99306	0.3
73.02950	1.0
73.03360	0.1
75.00866	0.1
81.03463	0.1
83.01385	0.6
83.01880	0.0
83.05029	0.2
84.01636	0.0
85.02946	1.2
86.00096	0.0
87.00872	0.6
89.02446	3.3
91.04014	0.2
95.01398	0.3
95.05034	0.0
97.02956	0.2
97.06596	0.0
99.00875	0.3
99.04529	0.1
101.02444	4.6
103.04015	0.1
111.00866	0.0
113.02453	2.1
115.03998	0.2
119.03492	1.0
125.02464	0.2
127.07652	0.3
131.03542	0.2
133.05060	0.3
141.09290	0.0
143.03494	0.4
145.05023	0.1
149.04514	0.1
157.05095	0.1
161.04555	1.6
167.10728	0.0
169.04805	0.0
179.05606	0.6
187.06107	0.1
197.11824	0.1
205.12431	0.1
205.19585	0.1
233.15472	0.0
233.22829	0.3
235.08191	1.2
253.09277	16.4
254.09679	0.3
259.20575	0.4
261.18942	0.0
275.20096	0.3
277.21698	100.0
278.22046	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	513.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	28.8
61.98830	4.1
69.03464	0.7
69.47530	3.6
71.01382	11.9
72.99297	0.7
73.02945	7.2
78.98587	3.6
79.95733	6.3
80.91672	3.0
80.96516	39.0
81.03423	0.9
83.01353	1.8
85.02471	0.6
85.02946	8.6
85.75190	0.5
87.00848	2.7
87.04483	1.0
89.02440	4.6
94.98077	10.0
96.95991	1.8
97.02920	1.6
98.20235	2.3
99.00860	1.1
99.04517	3.7
101.02439	7.8
103.04008	9.9
106.98045	1.9
113.02463	3.5
119.03444	1.8
121.06538	0.7
122.97591	3.5
125.02444	3.9
127.03996	1.1
134.97568	2.7
136.99100	1.4
141.05457	0.5
146.60342	0.6
147.04501	0.7
148.99117	3.7
149.09752	0.6
152.98622	5.1
161.04492	1.7
164.98650	7.4
173.09621	0.7
182.44167	0.7
182.99556	1.7
185.13327	0.6
197.90813	0.8
203.10712	0.7
206.99541	2.4
213.14832	2.4
225.00722	17.9
235.13368	0.6
243.01689	1.1
247.08296	0.7
247.13313	1.3
265.09265	12.1
265.14285	3.6
279.15854	1.0
289.17548	0.7
299.04431	2.9
307.15027	0.8
431.18997	1.6
451.19223	0.9
453.14359	0.7
469.20874	3.8
486.77542	0.7
513.19781	100.0
514.20233	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	513.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
55.95040	1.2
57.03450	28.3
58.00588	1.8
59.01381	100.0
61.98833	16.3
63.36347	1.1
67.90646	1.3
69.03461	2.6
69.19534	3.4
69.19934	10.3
71.01382	53.5
71.04996	2.2
71.25980	1.1
72.99295	3.8
73.02948	18.4
73.66045	1.1
75.00854	1.9
78.98571	3.3
79.95734	7.5
80.96520	42.0
81.03446	2.8
83.01385	8.9
83.05024	3.6
83.57769	1.2
85.02951	36.6
87.00874	3.8
87.04521	3.1
89.02446	29.5
94.98074	9.7
95.01405	4.2
95.05022	1.8
96.96027	2.8
97.02949	4.7
98.20122	6.2
99.00876	3.5
99.04515	29.8
101.02447	40.3
103.04013	37.7
106.98118	2.1
109.06597	7.1
111.00833	1.4
113.02448	24.6
119.03500	14.5
119.04955	1.9
121.06548	1.7
122.97537	2.0
123.00881	2.5
123.04515	4.2
124.01672	10.0
125.02443	38.4
129.01924	1.8
131.03490	1.9
134.97548	3.2
135.08128	2.1
137.02393	1.5
137.09717	5.0
143.03488	4.7
148.99150	3.8
149.04489	2.4
149.09676	1.5
149.99582	15.6
151.07634	1.7
152.98589	1.6
153.09229	1.7
155.10757	6.0
159.03011	1.4
159.11797	2.4
161.04552	15.2
164.53735	1.3
164.98645	6.1
166.05078	1.3
168.00648	29.8
169.01347	2.8
175.11316	1.2
177.12692	1.6
179.05598	4.7
191.10793	1.7
203.10713	4.3
203.14316	1.9
205.03456	1.6
206.99742	1.6
213.11299	1.7
213.14993	2.6
221.11781	2.4
225.00732	13.9
243.83212	1.3
249.14993	1.6
263.07782	1.8
263.13153	1.6
265.09225	50.7
265.14111	3.1
266.09470	1.9
267.09705	1.5
279.15775	2.1
292.28027	1.3
323.09698	2.2
427.16144	2.1
439.19293	3.5
451.19803	2.6
469.20810	29.0
470.21094	1.7
495.19046	1.8
513.19922	81.0
513.27533	19.1
514.20227	2.3
514.26581	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	513.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24380	0.8
55.01863	1.0
57.03438	1.8
59.01378	36.1
61.98829	8.4
71.01383	10.3
72.61032	1.0
72.99316	1.2
73.02952	3.7
78.95885	1.2
83.01386	2.2
83.04980	1.4
85.02953	13.7
88.98804	1.6
89.02449	3.4
95.74538	1.0
96.96013	3.3
97.06584	1.4
99.04506	1.3
101.02439	7.2
103.04020	1.7
108.02180	4.4
109.02930	1.9
109.06546	0.9
111.00877	1.2
113.02452	4.2
117.03456	1.3
120.99633	1.0
123.04519	1.2
125.02429	2.5
125.31240	1.0
127.07666	7.5
129.01942	3.1
132.02184	2.6
133.02956	15.6
134.03716	1.1
135.04527	30.3
143.07155	6.6
147.04483	1.0
152.01128	4.6
153.02013	2.0
156.46278	1.0
160.01682	6.4
161.02440	100.0
162.02797	1.8
179.03470	28.5
180.03833	1.4
189.07678	42.7
191.01942	3.7
209.03014	4.3
223.04607	3.0
238.52263	0.9
265.09183	1.7
265.14569	2.3
286.04007	1.0
323.07693	65.1
324.07953	2.7
341.08780	11.7
351.10638	21.4
351.25226	0.9
450.10086	2.0
481.18460	1.1
513.15399	25.0
513.31152	4.4
514.16907	1.2
524.90582	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
58.55580	0.6
59.01373	3.6
59.02901	0.6
61.98807	0.9
68.99817	0.8
69.49062	1.9
69.49487	3.3
70.62172	0.7
71.01377	3.5
72.99325	1.2
75.61329	0.6
78.35983	0.7
83.01386	1.3
85.02935	3.7
87.00871	3.8
89.02444	1.4
99.00881	2.3
101.02441	0.9
108.02188	1.2
108.36653	0.8
108.67423	0.6
111.00866	1.6
113.02440	3.7
115.00368	2.0
117.03459	1.0
123.00828	0.9
123.04488	1.0
124.01650	0.8
127.00353	0.9
127.03923	0.7
131.04980	1.5
133.02895	0.8
134.03735	10.0
135.04527	2.2
136.01620	0.7
136.05302	1.0
145.02898	1.4
146.03700	0.8
147.04460	1.2
148.05304	18.8
149.02473	1.0
149.06000	2.2
159.04485	1.8
160.01665	3.1
160.05284	1.8
161.02457	5.3
162.03224	20.2
163.03963	1.6
163.07678	1.8
164.04776	3.9
166.02654	0.7
172.05339	1.3
173.06094	1.3
174.03192	1.7
175.02448	3.9
175.03998	7.9
175.07584	0.8
176.01161	1.5
176.04784	2.3
177.01950	1.1
177.05565	28.5
179.07129	1.3
184.08946	0.7
186.03233	2.1
186.06868	0.8
187.03922	1.3
188.04784	3.9
189.01944	2.3
189.05582	1.3
190.02617	1.1
191.03540	1.2
191.07172	4.0
192.04225	1.2
193.05052	0.8
194.02191	3.0
195.06660	3.5
199.03995	0.8
200.04736	1.2
201.05495	2.0
202.06310	0.9
203.03578	1.5
203.07095	0.9
204.04245	3.6
205.04930	1.1
207.06609	14.0
212.04750	1.9
214.02759	1.5
214.06281	1.3
215.03474	1.0
215.07024	0.9
216.04266	2.6
217.04988	1.9
217.08618	0.9
218.05728	1.1
219.06580	3.7
223.06152	4.8
227.03610	0.8
227.07167	1.9
228.04271	1.5
229.05000	3.6
230.05859	2.3
231.06667	3.7
232.03749	5.0
233.04503	1.8
233.08173	2.0
234.05286	1.9
235.06070	2.9
243.06610	1.8
245.04507	0.9
245.08157	4.2
247.06107	23.5
248.06570	1.3
249.07675	8.1
251.05595	100.0
252.05872	1.8
256.03726	1.9
259.06088	3.9
261.07669	2.6
263.05716	0.9
263.09222	2.8
271.06128	6.5
273.07697	0.8
274.04709	1.1
277.61160	0.8
285.07712	7.7
287.09293	1.3
289.07181	11.7
291.05106	32.7
301.07135	1.3
303.08844	6.4
307.08188	8.7
319.36615	0.7
331.08194	1.1
333.06049	1.0
337.07510	0.7
349.09271	10.5
351.07205	16.1
407.37811	0.7
409.11444	1.4
469.13168	4.8
513.12140	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	513.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
58.39422	0.5
59.01372	5.2
61.98823	1.5
64.33741	0.5
68.99812	1.2
69.53907	0.5
71.01389	3.6
71.53328	0.6
72.99300	1.2
83.01397	1.8
85.02954	4.1
87.00895	3.1
88.98837	0.9
89.02422	1.9
95.01357	0.9
96.99327	0.6
99.00902	2.7
101.02431	2.1
108.02175	1.7
109.02945	1.0
111.00882	1.0
113.02477	2.8
115.00410	2.7
117.03492	0.7
121.03021	0.6
123.00910	1.4
123.04527	1.8
124.01661	1.0
127.00346	0.9
129.01962	0.6
131.05003	1.7
132.02127	0.9
134.03749	9.5
135.04538	2.5
136.05356	1.2
137.02461	0.9
145.02934	1.3
146.03708	0.8
148.05304	20.1
149.02449	0.7
149.06033	2.2
150.03293	0.6
151.03981	0.7
158.03734	1.0
159.04462	1.5
160.01660	3.0
160.05301	1.4
161.02437	6.7
161.04495	0.8
162.03224	20.1
163.03975	3.0
163.07623	2.4
164.04747	3.9
172.05319	0.6
173.02507	0.7
173.06035	1.8
174.03232	1.2
174.48611	0.5
175.02449	4.0
175.04001	7.4
176.01164	1.5
176.04732	2.6
177.01965	1.5
177.05559	31.8
179.07182	1.6
184.05264	0.7
185.05956	0.6
186.03220	1.7
186.06810	0.8
187.04021	1.8
188.04781	3.9
189.01929	1.6
189.05563	2.1
190.02698	1.2
191.03462	0.7
191.07153	4.3
192.04288	1.5
193.04980	0.7
194.02200	3.1
195.06593	3.2
199.04024	0.5
200.04771	2.0
201.05542	2.1
202.02628	0.9
202.06290	1.2
203.03497	2.1
203.07135	1.1
204.04277	5.0
205.04984	2.2
205.08710	0.7
207.06604	13.1
211.04120	0.6
212.04765	1.6
214.02652	1.6
214.06319	1.0
215.03496	2.1
215.07173	1.0
216.04283	3.1
217.04958	1.5
218.05847	1.1
218.24533	0.6
219.06648	4.2
221.04475	0.6
223.06094	4.8
227.03654	0.9
227.07155	1.0
227.55878	0.6
228.04318	1.4
229.05037	4.0
229.08540	0.8
230.05730	1.9
231.03253	0.7
231.06528	2.7
232.03755	5.2
233.04515	1.4
233.08139	2.0
234.05286	1.3
235.06094	3.0
243.06606	2.1
245.08163	5.9
246.05327	1.0
247.06102	23.4
248.06624	1.3
249.07651	7.6
251.05591	100.0
252.05972	3.1
255.02975	1.2
256.03677	1.1
259.06033	3.6
261.07651	2.0
263.05630	0.7
263.09262	2.9
271.06152	6.2
274.04883	1.1
277.07156	0.7
279.57156	0.6
285.07675	8.3
287.09415	0.7
289.07178	10.8
291.05109	31.9
292.05432	0.6
301.07181	1.3
303.08743	7.0
307.08228	8.0
331.08051	1.5
333.05972	1.1
337.07709	0.8
347.10074	0.5
349.09293	10.3
351.02850	1.0
351.07172	18.0
352.07709	0.6
397.11292	1.3
409.11234	1.7
469.13394	5.0
513.12280	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	512.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
57.63669	1.4
58.25490	1.3
59.01380	41.7
61.98829	100.0
70.87283	1.5
71.01390	10.9
71.54498	2.0
73.02930	9.9
79.95752	1.6
83.01403	1.8
83.05043	3.4
85.02949	7.4
87.04503	3.8
89.02433	6.7
96.95988	3.2
99.04536	1.8
100.85452	1.5
101.02445	5.7
103.04015	7.9
113.02496	3.8
119.03532	2.1
135.21651	1.5
137.88382	1.5
142.96568	1.8
146.26401	1.5
153.01758	1.8
201.11325	1.9
207.13849	2.7
209.11807	8.5
265.09088	4.0
269.13965	20.9
276.85202	1.8
287.05524	4.8
321.11984	4.9
449.20212	85.0
450.20688	4.5
451.32950	15.1
452.33182	15.9
512.18097	1.9
513.16321	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	511.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11868	0.3
55.01868	0.6
57.03447	3.2
58.00597	0.4
59.01380	15.1
61.98832	2.4
69.03458	0.4
69.55276	2.3
71.01376	9.4
71.05025	0.5
72.99320	0.7
73.02957	1.7
82.80763	0.4
83.01385	0.9
83.75509	0.3
85.02953	14.7
87.00863	0.8
89.02446	7.3
95.01409	0.7
97.02946	0.7
99.04517	0.9
101.02440	6.8
101.06060	0.4
103.04015	30.6
104.04351	0.4
107.05038	1.3
109.02955	1.3
109.06575	0.4
111.04527	0.7
113.02457	3.8
113.06087	0.5
117.40899	0.3
119.03522	2.5
119.08718	0.4
121.06577	0.4
121.28318	0.3
122.03750	0.4
123.04547	0.7
123.08171	0.8
125.02451	0.7
125.06075	3.1
135.04526	1.0
136.05276	2.0
138.06853	0.6
139.07652	1.2
143.03525	0.8
145.05054	0.9
145.06578	0.4
148.05338	0.4
149.06143	0.4
151.07675	2.7
152.08391	1.6
153.09218	0.8
159.11806	0.4
161.04582	0.4
161.09718	1.1
162.82991	0.3
163.07678	0.8
165.09193	0.7
168.34792	0.4
172.63649	0.3
179.05656	0.6
183.11732	0.4
185.09691	0.5
186.10478	0.5
188.08403	0.4
189.05618	1.4
189.09196	0.5
201.12845	7.9
203.10783	3.3
204.11546	8.2
217.12279	0.5
219.13898	14.0
225.12987	0.4
227.10608	0.4
228.11554	0.9
230.09494	1.3
243.13966	2.1
245.11847	6.0
246.12384	0.5
247.08150	2.0
263.12881	13.4
265.09277	40.6
266.09647	1.2
270.58374	0.4
272.10605	0.6
277.14471	0.9
287.12842	3.3
305.14047	2.2
316.97540	0.4
381.21033	0.4
394.37994	0.4
451.28964	0.4
467.18958	0.5
511.21841	100.0
512.22131	4.5
522.41400	0.3
535.89502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03448	3.0
58.00600	0.4
59.01381	17.3
61.98824	2.1
69.15981	0.8
69.16393	2.7
71.01383	16.3
72.99319	0.8
73.02943	4.9
79.05507	0.4
81.03442	0.4
83.01376	1.6
83.05040	0.5
85.02950	14.9
87.00882	1.8
89.02446	6.9
93.03429	0.4
95.01371	1.1
96.96024	0.5
97.02929	1.2
97.06611	0.4
99.00879	1.3
99.04528	0.5
99.92579	1.0
100.71836	0.4
101.02444	12.8
103.04013	29.4
105.07088	0.4
107.05042	0.9
108.05821	0.4
109.02937	1.5
109.06576	0.7
111.04503	1.0
113.01713	0.6
113.02442	6.4
113.06065	0.5
115.06084	0.3
115.92050	3.1
116.92860	11.6
119.03522	3.2
119.08688	0.8
121.06603	0.5
122.03742	0.8
123.04483	0.8
123.08177	0.6
125.02461	0.7
125.06082	4.0
129.01913	0.4
131.03505	0.4
133.26369	0.3
135.04512	0.7
135.08177	0.5
136.05260	2.2
137.05936	0.5
137.09633	0.4
138.06874	2.2
139.07655	3.1
143.03474	1.1
145.05110	0.7
148.05276	0.7
149.04539	0.3
149.06056	0.7
151.07643	6.5
152.04858	0.7
152.08441	2.5
153.09242	0.8
159.02965	1.1
159.11734	0.6
161.04543	5.9
161.09653	0.8
163.07672	1.4
165.09192	0.7
179.05647	0.7
186.10448	0.5
187.07552	0.3
189.05606	1.1
189.09215	0.7
199.14868	0.4
201.12831	6.7
203.10742	2.2
204.11539	5.6
205.12115	0.5
209.11739	0.6
218.05330	0.4
219.05630	0.4
219.13882	13.0
227.10770	0.5
228.11604	0.9
230.09479	1.0
243.13901	2.5
245.11794	6.0
247.08147	1.8
248.10585	0.5
263.12869	10.9
264.13406	0.5
265.09271	33.1
266.09714	0.5
277.14432	0.6
287.12866	3.7
305.14005	3.4
305.46576	0.4
310.38068	0.4
331.22943	0.7
375.22171	0.6
425.05463	0.7
435.17584	0.6
451.23465	0.5
467.06342	0.7
493.28082	0.8
511.21835	100.0
511.28345	3.9
512.22235	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.1
61.98831	81.8
71.01380	5.0
71.54098	1.1
73.02950	1.3
83.01380	0.9
85.02959	3.4
89.02450	2.9
93.03456	0.7
95.05103	0.8
101.02437	3.7
103.04002	1.4
109.02900	0.8
113.02420	2.2
119.03542	0.9
151.00371	1.7
161.04532	1.1
227.03505	29.0
227.05765	1.4
228.03943	1.0
229.05025	0.8
255.02986	41.9
256.03659	5.4
265.09369	1.2
284.03290	52.0
285.04022	16.4
327.05005	0.9
339.14404	0.9
447.09305	100.0
447.19159	3.9
448.03802	0.7
448.09476	4.5
449.27750	1.6
509.22791	0.9
509.29871	5.9
510.29822	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	509.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00650	0.3
55.01863	0.5
57.03436	1.2
58.00594	0.7
59.01379	17.1
60.01715	0.5
61.98837	3.1
69.22566	2.3
71.01382	8.4
71.05016	1.0
71.22937	0.3
72.99319	0.9
73.02935	2.0
75.00872	1.5
83.01391	0.8
83.05029	0.6
85.02956	2.8
87.00883	0.8
88.98805	1.1
89.02441	5.5
95.01407	0.9
96.96025	0.4
97.02924	0.3
99.00875	0.7
99.04530	0.4
99.08163	0.3
101.02441	6.3
103.04004	0.7
113.02448	3.1
119.03515	1.5
123.08164	0.4
161.02309	0.3
161.04532	1.7
181.15955	3.0
183.14005	0.7
184.89014	0.3
188.04776	0.7
207.17494	1.3
209.15440	0.4
216.87222	0.3
227.16515	4.0
290.46030	0.3
311.15054	0.2
329.23328	32.6
330.23611	1.1
347.24384	4.4
412.10324	0.4
429.21451	0.4
434.17166	0.4
491.27820	0.5
509.29626	100.0
510.29947	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	509.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17216	0.4
55.66705	0.4
70.53380	0.8
70.53732	0.9
78.95905	18.0
91.42178	0.4
96.96952	1.5
152.99582	29.4
158.95421	0.5
171.00612	1.6
227.03249	4.0
245.04448	1.0
281.24841	100.0
282.25125	3.7
417.24344	0.7
509.28806	67.0
510.29077	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	509.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.1
67.05421	0.1
69.14344	0.1
69.73013	0.5
71.01377	0.2
71.05016	0.2
85.61573	0.1
97.06683	0.1
99.04519	100.0
100.04859	1.0
294.25214	0.1
315.21637	0.1
337.21786	0.4
347.20187	0.3
365.21234	0.5
381.24390	0.1
391.22836	0.5
409.23730	0.2
427.24866	0.9
509.29059	3.1
510.29565	0.2
528.38495	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	509.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.4
57.03448	3.4
58.00591	4.5
59.01376	100.0
60.01703	0.5
61.98820	1.9
64.31744	0.3
67.01882	0.5
68.99786	0.5
69.03439	0.6
71.01379	98.5
72.01725	0.5
72.99304	6.5
73.02940	13.2
75.00866	1.2
80.96523	1.2
83.01385	8.1
84.02171	0.6
85.02946	28.5
85.06581	0.4
86.00073	0.4
87.00873	44.0
89.02441	79.4
90.02788	0.5
91.44849	0.3
94.98119	0.4
95.01383	7.2
97.02953	1.4
97.06611	0.4
99.00881	7.1
99.04543	0.6
101.02438	73.5
102.02772	0.8
103.04020	0.8
111.00871	4.3
113.02444	42.5
114.02788	0.4
115.03979	0.4
119.03498	39.8
120.03820	0.5
122.97611	0.4
123.08169	0.6
125.02442	1.9
129.01942	7.2
131.03499	4.3
134.74158	0.3
141.01920	1.0
143.02422	0.6
143.03491	9.0
149.04535	2.8
156.31090	0.3
159.02979	6.6
161.04546	29.6
162.04779	0.4
177.04128	0.4
179.05597	16.8
186.65094	0.4
205.03540	0.8
209.11852	0.6
225.00792	0.8
271.17084	1.1
281.15503	0.4
281.19095	0.7
283.17041	6.8
283.20520	0.8
284.17496	0.4
285.18594	1.1
287.20142	4.3
289.21744	1.3
297.18573	1.2
299.20135	15.3
300.20636	0.8
301.18536	0.5
301.21698	2.2
311.20331	0.4
313.17847	0.6
313.21658	0.4
317.21231	7.3
318.21524	0.6
318.89053	0.4
327.19556	0.4
329.17264	0.6
329.21191	10.9
330.21622	0.7
341.23502	0.4
347.22253	17.9
348.22635	0.6
349.23837	1.2
419.24353	3.8
491.26791	0.4
509.27536	87.4
510.27838	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.0
57.03445	5.6
57.15043	0.4
59.01379	100.0
60.01703	0.7
61.98828	1.7
70.71936	1.1
71.01385	8.5
71.30679	0.5
72.99314	1.4
73.02953	3.6
75.00881	1.6
75.80231	0.4
83.01372	2.5
85.02948	30.8
87.00877	2.2
89.02433	5.0
91.01859	0.5
93.03483	1.0
99.00882	0.9
99.04539	1.3
101.02443	9.4
108.02196	0.6
109.02993	0.7
111.00887	3.8
113.02441	4.7
119.03497	2.3
120.99675	1.4
121.02968	1.1
123.00924	0.6
123.04513	2.8
125.02486	0.6
127.97755	0.4
129.01947	7.4
131.03474	0.5
137.02478	1.8
143.03543	1.7
147.03040	3.6
152.01263	0.7
159.03001	0.5
161.04518	2.4
164.07243	0.6
166.02811	0.6
167.03493	6.4
173.00922	2.6
179.03499	0.6
179.05705	1.1
191.02020	2.8
209.03069	0.6
234.98180	0.4
235.06094	2.4
245.17531	2.5
269.17557	0.6
281.17728	0.9
287.14075	0.7
287.18668	0.6
297.06430	1.3
311.18631	2.4
341.05316	1.4
347.11490	1.0
347.15524	0.5
359.06378	1.0
389.21777	13.4
389.26605	0.8
390.22299	1.0
405.21802	0.7
407.22855	9.6
411.82962	0.5
449.23883	22.1
450.24487	1.6
465.20004	1.4
509.16245	1.1
509.22928	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	509.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	36.2
59.01378	32.7
61.98832	5.7
71.01371	9.9
71.54326	1.2
72.99294	1.4
73.02927	2.7
75.00875	2.8
82.02980	3.4
83.01395	1.1
83.70763	0.9
85.02943	3.7
87.00844	1.2
88.98798	1.7
89.02432	4.0
99.04515	21.9
101.02436	12.1
103.04007	2.5
113.02428	2.5
114.38624	1.2
119.05075	1.5
119.55141	0.9
124.99137	0.9
125.02474	5.7
137.02435	1.1
145.07706	63.2
161.04547	11.5
163.03983	1.4
170.07205	3.1
188.08286	41.3
189.08495	1.3
214.07777	2.0
214.09853	33.6
215.10172	1.3
217.05096	1.3
226.09828	1.5
228.11380	1.3
244.10863	2.4
247.08220	1.2
256.10904	18.7
265.09277	1.5
268.10791	1.9
286.11981	1.6
289.63116	1.0
304.13019	30.4
305.11234	1.1
322.14050	100.0
323.14328	4.8
347.24176	2.5
364.15103	3.7
365.14642	6.2
446.17514	1.5
449.15161	1.2
449.27222	3.0
466.18103	3.9
509.29584	21.7
510.29486	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21704	1.1
57.03442	1.3
59.01380	18.9
61.98830	20.7
71.01388	6.8
71.09261	1.3
71.09601	1.4
72.99298	1.1
73.02942	4.1
81.48463	1.0
85.02950	5.2
87.00922	1.6
88.98804	3.7
89.02427	2.6
92.90038	1.2
95.01344	1.2
96.95991	1.4
97.76699	1.1
99.04522	7.2
101.02447	7.1
109.02986	1.2
111.04502	2.1
113.02474	3.1
121.03017	1.1
129.01884	1.2
149.06061	1.8
161.04555	3.0
161.05942	2.3
163.11157	1.3
174.10678	1.3
207.55339	1.2
209.11765	1.9
217.12349	10.8
261.11295	100.0
262.11584	2.6
271.77200	1.1
275.12811	3.1
281.95798	1.2
283.11029	1.3
303.12311	11.3
342.11996	1.6
347.22382	2.7
405.13272	2.6
408.01160	1.2
424.63068	1.2
434.17026	9.1
465.17484	3.9
478.16171	9.0
508.32019	8.1
509.20062	1.8
509.26855	4.0
509.32770	3.8
510.18610	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	509.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25347	0.5
52.82190	0.6
57.03440	2.7
58.49201	0.6
59.01376	7.0
61.83335	0.6
61.98825	2.3
69.81709	2.3
71.01380	4.7
73.02957	0.7
83.01386	0.8
85.02946	4.5
89.02425	1.4
96.96017	1.1
97.42627	0.7
98.20196	1.9
101.02439	2.9
103.04005	17.5
113.02445	1.5
117.07104	0.9
119.03492	0.7
126.13726	0.6
129.07106	1.0
130.04254	1.8
143.05057	3.6
145.02940	1.9
156.02231	1.2
157.03004	0.9
157.05174	0.7
157.06604	2.1
158.03726	36.1
159.04448	1.5
161.02396	4.5
163.03951	1.5
171.04514	0.7
172.05342	1.7
173.06075	17.5
184.01634	3.0
186.03195	0.7
187.03976	1.9
188.04886	1.2
199.04027	4.3
200.04759	3.7
201.05573	16.3
202.02707	33.3
203.03305	1.4
213.14969	1.4
215.07057	1.3
217.05042	95.1
218.05406	2.8
231.06641	1.8
232.03548	1.0
232.82738	0.7
244.03818	5.1
247.06085	1.3
247.08331	1.3
259.06100	6.7
261.04025	16.1
265.09140	3.8
274.04755	0.7
275.05597	3.9
303.05090	52.9
304.05267	1.6
333.06039	4.5
363.07181	19.6
364.07343	0.9
406.71603	0.7
423.09622	1.9
465.14017	8.3
491.11841	2.1
509.12952	100.0
510.13498	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	509.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33641	0.6
54.70635	0.6
57.03439	2.4
57.76511	0.5
59.01386	4.0
61.98832	1.4
69.21669	2.7
69.22096	3.0
71.01373	3.9
85.02945	4.0
87.00875	1.0
89.02433	0.9
89.03992	0.6
98.20612	1.1
101.02431	1.7
103.04015	14.4
117.07056	0.7
119.60840	0.6
129.07074	1.0
129.69313	0.6
130.04222	1.7
140.08655	0.7
143.05023	2.5
145.02855	0.9
145.06569	0.8
157.02953	1.0
157.05260	0.8
157.06578	2.1
158.03728	38.3
159.04300	0.9
161.02457	5.4
163.03978	0.8
172.05295	1.8
173.06075	20.2
174.03192	0.6
187.04024	0.9
188.04832	0.8
199.03961	2.7
200.04784	4.4
201.05594	14.0
202.02715	36.3
203.03256	1.0
217.05043	97.2
218.05368	2.3
229.04999	1.6
232.03729	2.2
233.04663	0.6
236.09554	0.6
244.03812	3.5
247.05969	1.2
247.08296	1.4
259.06046	6.1
261.04010	16.1
265.09116	0.9
275.05588	3.0
303.05087	55.2
304.05362	1.6
333.06085	3.5
363.07196	20.7
363.11728	1.1
379.33127	0.5
423.09406	2.4
449.27530	1.0
465.14148	2.0
491.11874	1.5
509.12982	100.0
510.13147	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	509.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.6
59.01381	8.2
59.24821	1.2
61.98830	1.9
69.74643	1.3
70.65204	2.4
70.65579	2.3
71.01344	6.6
73.02969	1.9
75.00861	3.9
83.01383	7.1
85.02948	37.7
87.00863	4.2
88.98809	3.1
89.02428	1.7
93.03451	2.3
95.01393	2.9
95.05046	1.9
96.96012	6.1
97.02968	1.8
99.00867	1.9
101.02430	6.4
108.02209	1.9
109.02939	16.9
111.00867	7.8
113.02436	14.0
119.03469	2.0
121.02972	2.1
123.04525	2.7
125.02452	1.8
127.04024	3.1
129.01942	13.7
133.02960	10.1
135.04524	39.5
135.08492	1.4
137.02414	5.8
139.04013	3.5
143.03532	1.4
147.03011	3.8
147.04541	2.6
148.05304	3.6
149.06082	30.1
152.01108	1.8
161.02437	100.0
161.06024	12.1
165.01868	2.0
167.03473	5.5
171.04500	2.7
173.00909	2.7
173.06052	1.6
175.04016	3.1
176.04723	1.9
177.05560	6.9
179.03503	3.5
181.26782	1.3
185.06104	1.6
187.03922	1.4
188.04758	5.7
189.05556	15.0
191.01965	3.3
191.03531	3.5
201.05595	6.5
203.07156	4.0
207.06616	3.6
213.05511	7.1
219.06609	7.5
221.04541	14.2
231.04285	2.8
231.06593	54.3
232.06795	1.4
233.04466	2.0
249.07614	5.8
255.48347	1.4
263.05496	2.7
275.05591	48.6
281.06711	1.6
293.06586	5.8
303.07263	2.1
311.07816	3.9
337.22433	1.6
341.05319	1.6
359.06549	1.4
379.59445	1.7
389.06952	1.9
393.11832	14.7
395.80981	1.3
411.12827	3.2
413.10831	17.4
437.10596	3.2
455.11844	27.9
473.13000	54.5
474.13251	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	509.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01118	0.7
55.01874	2.1
55.38143	0.6
57.03449	14.3
58.00597	0.7
59.01379	32.7
60.01709	0.6
61.01793	0.6
61.33060	0.6
61.98828	9.4
62.02011	0.6
63.96238	0.8
67.01884	1.2
68.99807	0.7
71.01379	17.3
71.54592	1.0
72.99301	2.3
73.02940	4.3
74.99090	1.7
75.00876	2.0
81.03494	0.8
83.01389	5.1
84.02172	1.8
85.02949	100.0
87.00890	3.3
88.98801	2.0
89.02445	13.5
91.01891	2.7
95.01365	0.8
96.96006	2.6
99.00891	1.5
99.04519	3.2
101.02440	8.5
102.02767	0.5
102.53371	0.5
103.00373	1.0
103.04011	2.2
107.05033	0.6
108.02181	2.4
109.02942	0.7
110.44733	0.6
111.00874	9.9
113.02451	6.5
115.00321	0.9
116.03536	0.9
119.03492	5.6
120.99645	1.1
121.02956	0.9
122.03757	1.4
123.00917	1.3
123.04538	11.0
124.01676	0.7
125.02421	1.2
129.00964	1.0
129.01941	21.2
131.03572	0.7
135.04533	1.3
136.99136	1.6
143.03505	1.6
145.01277	0.9
147.03003	11.4
149.04539	0.6
152.01122	3.2
161.04607	2.8
165.05553	2.2
166.02664	1.4
167.03491	27.6
173.00931	6.8
175.02466	1.4
179.05617	7.2
181.05104	1.0
183.08511	0.7
191.01964	10.1
192.04292	2.0
195.06682	0.7
199.13345	0.9
201.11284	2.0
207.06674	1.4
209.03004	2.3
209.11766	0.7
235.06090	8.9
242.05345	0.7
243.12250	0.8
260.23474	0.6
261.13315	1.6
265.09283	1.3
287.18668	0.8
297.06152	6.7
299.04611	1.0
300.06177	0.6
316.09064	1.6
317.09467	2.2
327.08740	1.8
328.09036	2.2
329.09064	2.9
341.05099	5.5
347.11279	2.2
347.15048	7.1
359.06186	7.9
365.18097	2.1
388.20575	0.8
389.21417	1.4
405.21289	0.7
407.22830	0.8
449.23764	6.7
461.17715	0.7
465.22644	1.4
477.19485	0.7
508.30890	1.0
509.16010	2.1
509.22073	7.8
509.60568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42551	0.5
51.40902	0.5
55.01869	1.9
55.87093	0.5
57.03448	14.5
57.96069	0.5
59.01378	16.0
60.01705	0.5
61.98834	3.6
65.00284	0.5
68.99805	0.8
69.29839	0.4
70.20445	0.5
71.01381	6.9
71.25507	0.6
71.54988	0.4
72.97551	0.7
72.99302	1.8
73.02940	2.2
73.15869	0.5
74.99094	1.4
75.00871	2.4
83.01379	4.7
84.02159	1.9
85.02948	100.0
86.03285	1.0
87.00873	2.2
88.98800	0.8
89.02440	2.4
91.01888	3.9
95.01389	0.8
96.96027	1.1
99.00883	1.0
101.02435	4.4
103.00387	1.7
108.02174	4.9
109.02926	1.7
111.00881	11.6
113.02460	2.1
115.00352	1.7
116.92863	0.8
118.86369	0.6
119.03505	1.5
121.02952	0.8
123.00873	1.0
123.04523	15.9
124.01654	1.8
125.02438	0.7
129.01941	48.3
130.02284	0.7
134.97504	0.6
135.03008	0.6
135.04449	0.6
135.98381	1.6
136.99104	1.0
137.02512	0.7
138.05605	1.3
143.03435	0.6
147.02992	10.5
152.01158	5.0
154.99751	0.7
161.04570	1.0
165.01859	0.7
166.02736	1.1
167.03487	37.3
168.03860	1.1
173.00893	11.0
175.02458	1.6
179.03680	0.5
181.04988	1.0
191.01947	9.5
192.04280	1.0
207.06662	1.1
209.03001	2.2
220.03761	0.8
235.06073	8.7
251.86038	0.5
252.08881	0.6
279.05057	0.9
297.06119	7.8
341.05048	6.9
347.11740	1.6
359.06210	8.7
389.07306	0.7
389.21652	1.7
405.21341	3.3
407.22766	1.1
414.12738	0.5
449.23914	3.7
465.19592	0.9
509.16809	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	509.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12629	0.6
55.01878	2.1
57.03448	13.1
59.01379	5.2
60.99292	1.5
61.98831	1.0
63.37533	0.6
65.46961	0.6
66.36417	0.6
67.01876	0.7
67.63839	0.6
68.99812	0.7
69.95080	2.4
71.01377	2.8
72.99319	1.0
73.02934	0.8
75.00864	1.1
80.10448	0.6
83.01382	5.0
84.02158	2.5
85.02953	100.0
86.03287	1.3
87.00879	1.3
88.98811	10.0
89.02474	0.6
91.01897	2.5
93.03469	5.3
95.01360	0.6
96.96017	0.7
98.19999	1.2
98.20561	0.9
101.02443	1.8
103.00375	0.8
108.02189	2.3
109.02983	0.6
111.00887	12.7
121.02954	2.3
121.28088	0.5
123.00842	1.0
123.04535	9.3
129.01950	39.4
135.04504	0.6
137.02472	11.5
139.00388	0.8
145.01419	0.7
147.02998	12.5
151.04036	0.6
152.01172	2.4
153.05585	2.4
167.03506	21.0
168.03773	0.8
173.00920	10.4
177.37799	0.5
182.02191	0.9
191.01982	11.3
192.04404	0.7
197.04520	4.0
205.05145	1.2
207.06631	2.0
209.03041	2.8
212.10732	0.5
213.57364	0.6
235.06189	5.2
235.46313	0.7
237.07736	0.9
265.07162	2.4
267.05197	0.7
297.06210	6.7
311.04016	0.8
327.07056	3.1
329.05124	1.7
332.04507	0.6
341.04999	4.2
359.06174	6.1
371.06277	0.8
389.07254	2.5
473.13412	0.8
493.04941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52715	0.8
61.98830	100.0
76.28021	0.8
98.20667	1.9
131.32025	0.8
157.22598	1.0
182.99033	0.9
368.95398	0.9
370.23495	0.9
430.93036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.3
57.03446	14.6
59.01368	2.8
64.28857	0.7
71.01381	2.5
71.52161	0.9
72.97522	0.9
73.02934	1.4
83.01392	5.4
84.02179	2.1
85.02949	100.0
87.00900	1.3
89.95123	0.7
91.01900	2.5
93.03467	6.0
101.02437	1.4
108.02174	3.7
109.02954	1.0
111.00880	13.8
120.99663	1.1
121.02968	2.6
122.99812	0.7
123.00909	0.8
123.04541	11.1
129.01942	44.0
130.02284	0.7
135.04543	0.7
137.02434	12.6
145.01450	0.8
147.02994	11.2
152.01096	4.5
153.05595	2.5
156.29088	0.7
161.02379	0.9
166.02692	0.8
167.03488	32.5
173.00905	14.7
182.02177	1.2
189.05571	1.5
191.01987	13.5
192.04314	1.0
197.04555	4.3
198.23814	0.7
205.05063	1.4
207.06505	1.0
209.02968	3.5
235.06099	6.3
265.07129	2.9
297.06155	7.5
311.04105	1.1
327.07373	3.5
329.05188	2.4
329.08810	0.8
341.05029	5.1
359.06247	6.1
371.06281	0.7
389.07059	3.9
399.04651	0.8
413.10962	0.9
463.85764	0.7
473.13208	1.2
487.14117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98834	0.7
127.59978	0.3
155.98051	0.3
162.20335	0.3
180.18486	0.3
199.92422	0.3
209.11914	1.2
223.13506	1.1
304.66849	0.3
447.34967	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27612	1.1
61.98829	100.0
67.27643	1.1
70.71232	1.2
71.52848	1.2
71.53265	1.5
78.95890	1.6
158.67108	1.1
190.64667	1.3
226.06970	1.3
242.45404	1.2
255.23206	6.6
300.87244	1.5
339.41144	1.3
423.25314	2.6
508.22681	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.7
57.03451	3.0
58.00585	1.1
59.01379	27.3
61.98844	0.2
66.92754	0.1
68.99824	0.2
69.03446	0.7
69.23405	0.3
69.23802	1.2
71.01380	53.9
72.01719	0.4
72.99303	1.6
73.02943	15.2
75.00871	1.1
82.96561	0.2
83.01384	6.7
83.44361	0.1
84.02178	0.3
84.72095	0.2
85.02948	24.5
85.06587	0.2
86.00097	0.5
87.00873	2.3
89.02444	13.2
95.01389	4.6
97.02943	1.4
99.00879	6.8
101.02441	32.6
102.02750	0.3
103.04018	0.2
111.00899	1.8
113.02446	22.0
114.02778	0.2
115.04012	0.2
119.02666	0.3
119.03500	4.8
121.02966	0.3
125.02441	1.2
129.01944	1.1
131.03505	0.6
139.00386	0.2
141.01993	0.2
143.03499	2.7
143.10773	0.3
149.04509	0.2
159.02986	5.1
161.04549	25.3
162.04886	0.3
175.54245	0.2
179.05603	1.5
197.15526	0.4
205.03508	0.6
223.20483	0.4
274.17407	0.2
281.24789	0.2
299.25793	0.8
345.30060	11.4
346.30588	0.3
387.31509	0.2
463.25717	0.2
507.35345	100.0
508.35675	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	507.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76207	12.4
54.82479	11.7
56.35248	11.9
61.98835	100.0
71.53833	16.7
74.27776	13.2
88.98802	74.7
89.02430	28.3
100.95098	14.6
110.98534	22.2
151.89406	13.1
156.93051	12.2
167.27196	11.8
185.02171	43.0
254.22118	16.5
282.51611	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	507.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03771	0.4
55.01873	0.5
57.03443	3.6
58.00586	1.0
59.01377	14.1
61.98824	3.2
65.02943	0.3
71.01382	14.5
71.05008	0.5
72.99294	1.4
73.02955	3.3
75.00864	0.7
83.01376	1.6
85.02948	15.3
87.00884	2.1
87.04515	3.5
89.02432	3.3
91.75292	0.3
95.01365	0.9
96.96013	0.4
99.00867	1.4
99.04482	0.8
101.02434	7.2
101.06085	0.6
101.38262	0.3
103.04009	24.6
111.00883	0.5
113.02448	3.4
117.05595	0.5
119.03477	1.2
121.02953	1.8
125.02417	0.6
139.07652	0.4
139.72937	0.4
143.03415	0.6
143.04993	0.5
145.05063	0.5
148.05244	1.1
155.14357	0.4
159.03015	0.7
161.04565	3.4
163.07620	1.1
171.13832	0.7
179.05600	0.8
183.13867	1.0
185.15407	0.8
197.04523	0.7
197.15338	0.8
199.13332	0.8
199.32732	0.3
213.14987	2.3
227.16516	2.4
241.15842	0.4
241.18088	5.9
243.15990	2.2
247.08191	0.9
255.19467	0.5
257.17596	5.4
259.19116	38.6
260.19479	0.8
265.09207	1.3
271.19125	3.4
273.20703	22.6
274.21088	0.8
277.03412	0.5
297.18527	0.6
299.25897	0.4
301.20203	8.6
327.25507	0.4
341.52002	0.4
345.20621	1.0
345.30090	0.7
421.24368	0.5
455.74448	0.4
463.25455	1.1
474.07388	0.4
507.27914	100.0
508.28125	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	507.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
57.03453	1.8
58.00580	1.3
59.01378	89.7
61.65764	1.0
61.98844	6.2
69.43501	8.7
70.38086	1.1
71.01377	16.0
72.99291	1.4
73.02947	14.6
83.01380	3.2
85.02945	11.5
87.00914	1.1
89.02444	5.0
95.01369	2.5
98.20311	4.0
99.00867	2.7
101.02444	14.4
103.04008	3.5
107.44398	0.9
107.52969	1.1
109.97299	1.0
113.02434	7.2
119.03461	1.2
121.02945	1.5
132.68382	1.0
143.03497	1.5
161.04565	2.1
241.18137	2.2
259.19168	6.9
273.20633	2.9
303.13370	1.4
361.22211	3.1
403.23196	4.0
421.24478	2.8
445.24380	6.1
463.25482	100.0
464.25812	4.7
465.26291	1.1
477.14624	1.1
477.30423	2.6
489.20984	2.1
507.21921	7.2
507.26920	15.4
507.32037	11.4
508.28430	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
57.03439	3.5
58.00593	1.7
59.01381	73.5
61.98824	4.7
69.34358	8.8
71.01382	36.0
72.99316	2.0
73.02945	95.9
80.00403	1.3
83.01385	4.7
85.02952	15.7
86.00098	1.0
87.00870	9.2
89.02446	19.3
95.01400	3.6
97.02929	1.4
99.00897	2.1
99.04527	1.6
101.02438	27.5
103.03989	1.6
113.02464	14.7
119.03517	7.5
125.02441	1.4
129.01959	1.9
136.05325	1.6
143.03522	2.8
149.06076	3.0
159.02957	2.5
161.04581	10.1
179.05620	3.5
211.13232	2.3
259.14481	2.0
259.19232	1.8
283.22632	1.9
297.18707	5.3
303.16095	2.9
315.19641	2.2
317.21161	1.5
328.12717	1.1
344.15659	1.4
345.16336	2.2
345.20529	3.3
345.23074	1.3
347.20654	3.6
363.20578	1.4
417.22812	1.5
421.24670	2.2
445.24399	1.9
463.25473	100.0
464.25760	5.8
507.27264	28.4
508.27020	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	507.2233
Annotation	Ajugalide A
Peak:m/z	Relative Intensity
50.96617	0.7
56.09679	0.7
57.03429	1.5
59.01380	16.0
61.98587	0.6
61.98831	6.8
69.03474	0.9
70.91937	1.5
71.01069	0.6
71.01382	7.7
71.04994	1.0
72.99310	6.5
73.02943	15.6
79.05550	1.6
79.19400	0.7
81.03440	1.2
83.01371	1.8
83.05030	0.8
85.02952	5.8
87.00891	3.3
89.02424	1.9
93.03455	4.7
95.05010	1.4
97.02887	1.1
97.06586	1.9
99.00886	5.8
99.04542	1.6
100.81077	0.8
101.02420	4.9
103.04020	0.9
106.04227	0.8
107.05013	1.5
109.02939	2.1
111.04516	4.1
113.02449	3.7
119.04984	1.9
121.02959	14.2
121.06569	2.2
122.03776	0.6
123.04530	4.8
123.08150	1.1
125.02464	1.0
125.06078	1.1
127.04024	3.4
133.06595	1.4
134.03706	1.1
135.04510	2.2
137.06046	3.6
139.04034	1.5
147.04475	1.4
149.06081	9.0
150.03168	0.9
151.03986	2.5
151.07610	2.7
153.09100	0.8
161.04604	0.9
161.06056	1.0
163.03993	0.8
165.05527	2.5
167.03442	1.3
167.07066	0.9
175.03999	1.3
177.05507	1.6
179.00142	1.0
179.07094	1.1
193.05031	5.3
193.12199	0.7
196.63564	0.6
203.07155	1.0
211.06044	1.5
219.06300	0.7
223.13354	0.8
223.16971	2.2
230.25156	0.6
246.08859	0.8
251.16499	2.1
259.06049	1.5
273.20673	0.8
295.19003	1.0
301.91953	1.0
323.18509	3.2
371.58008	0.8
417.22775	1.1
419.20871	2.4
427.21036	1.2
433.27927	0.8
445.22855	3.4
461.21686	2.4
463.23340	15.7
464.23868	0.9
477.19061	1.4
489.21277	31.3
490.21689	1.5
507.22208	100.0
507.30890	18.2
508.22525	7.6
508.30682	1.4
523.79956	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.2
61.98826	0.7
71.01383	3.4
71.52386	0.9
83.05023	13.3
85.02952	2.3
87.00879	1.1
89.02454	2.7
95.73946	0.5
96.96016	0.8
97.06577	0.7
101.02448	1.7
108.02164	1.1
109.02945	0.8
110.37873	0.6
111.04522	100.0
112.04837	0.9
113.02465	1.5
119.03536	1.7
120.99666	0.6
126.05431	0.5
129.01996	0.7
141.05583	11.9
152.01135	1.9
161.04575	2.5
165.04045	2.1
185.04524	2.9
187.06117	3.2
187.10835	0.8
208.90329	0.6
290.51172	0.6
303.10858	4.7
315.07318	3.6
321.11896	3.2
383.49701	0.7
384.32773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2021
Annotation	Mortonin D
Peak:m/z	Relative Intensity
52.49386	0.2
52.76910	0.2
59.01378	15.9
60.23992	0.2
61.98837	0.9
70.28691	0.2
70.32542	0.2
73.39908	0.2
93.03439	0.5
107.05013	0.2
109.06609	0.4
111.04504	1.0
121.02956	100.0
122.03273	1.1
127.07632	0.8
129.05713	0.2
129.30440	0.2
145.02884	0.3
147.04518	0.6
153.05724	0.2
159.04573	0.3
174.06857	0.5
205.08612	0.2
207.10164	0.3
209.11960	0.3
217.73495	0.2
219.38724	0.2
229.37967	0.2
385.16623	2.5
447.18246	0.7
463.30420	0.4
465.19211	0.4
489.25317	0.2
492.17917	0.5
507.20218	8.4
507.26813	0.5
507.33237	4.3
508.20319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01381	27.0
61.98835	2.5
71.01385	5.2
71.39067	0.4
71.53755	0.6
72.99300	0.4
73.02956	2.2
75.00880	0.6
83.01385	1.1
85.02961	4.2
87.00849	0.9
87.30738	0.4
88.98803	0.7
89.02422	1.7
94.02941	0.6
95.03732	0.4
95.05029	0.5
96.96003	1.4
97.02940	0.7
99.00873	0.8
99.04528	0.4
101.02442	4.2
101.06103	0.5
103.04002	0.4
105.72769	0.4
106.06630	1.1
113.02441	3.1
119.03492	0.7
120.99742	0.4
121.03008	0.5
122.03716	0.6
122.06114	1.4
124.07666	4.6
125.02455	0.4
132.04550	22.1
133.05348	12.6
134.06116	3.8
135.04410	0.4
138.05684	0.5
143.03476	0.5
148.04024	1.0
150.05569	0.8
159.02974	0.4
161.04530	1.6
165.04297	10.2
176.03493	0.8
176.07074	0.9
177.04279	3.2
178.05070	1.4
186.09239	1.4
187.65024	0.4
191.02010	0.5
195.06622	0.5
197.09723	1.1
198.09224	0.7
209.03288	3.5
213.06659	0.6
213.12767	0.5
214.12381	3.1
215.11858	4.6
220.07553	0.4
226.07527	0.8
227.08455	0.4
229.09848	1.9
240.10315	1.2
241.09850	2.9
243.15938	0.7
251.50433	0.4
255.11412	1.3
257.12982	18.9
258.13486	0.5
265.09637	0.4
283.10889	8.0
284.11203	0.5
301.11914	10.6
302.12186	0.5
303.08713	2.9
315.08673	1.0
315.12509	0.9
327.08890	3.5
345.10873	100.0
346.11218	3.6
351.77136	0.4
369.19186	0.8
387.12009	1.0
387.20227	8.5
388.20670	0.4
405.21271	11.8
429.21280	0.6
447.22318	10.6
448.22726	0.4
463.16415	0.7
463.22006	1.4
507.15781	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	507.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87793	0.6
59.01369	2.7
69.46348	1.2
69.46764	3.3
71.01381	2.5
72.99324	1.6
73.02935	0.9
75.00871	7.2
85.02946	1.0
87.00875	21.4
89.02453	0.8
98.19911	1.3
99.00882	3.8
101.02434	1.6
105.01937	22.9
108.02187	0.9
108.41399	0.6
109.02936	0.7
117.01987	0.8
121.02962	20.0
129.01941	1.8
147.02965	4.2
152.01085	1.1
165.01985	19.6
165.04039	100.0
166.04385	0.9
191.02029	1.2
205.38161	0.7
205.51265	0.6
209.03166	0.7
260.82660	0.7
315.07321	2.2
387.92313	0.6
446.33063	0.8
460.66989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01648	0.8
57.03187	0.9
57.03434	4.9
59.01382	41.5
61.98826	4.7
64.29027	0.7
69.15740	8.0
71.01381	12.2
71.05038	1.0
72.99298	1.3
73.02946	8.0
75.00880	1.1
83.01386	2.6
85.02945	8.5
87.00852	2.6
89.02444	5.4
92.09966	0.7
93.55945	0.8
96.96067	1.0
97.02923	1.0
97.06615	0.9
98.20171	4.1
99.00919	1.2
99.04523	2.5
101.02435	12.2
103.03999	2.2
109.02987	0.8
113.02469	6.0
119.03506	1.4
121.02981	4.4
123.00891	0.7
125.02464	1.8
128.21962	0.7
129.01935	1.1
132.04523	0.8
134.03735	1.5
135.04523	1.1
149.04527	0.8
150.03224	1.0
161.04521	3.3
165.98236	0.8
178.02557	0.7
181.06499	1.8
185.06000	1.8
191.01881	1.2
193.05075	1.3
197.06047	3.2
197.11835	1.3
208.05339	1.1
209.06055	1.7
211.03867	1.0
212.04724	1.8
213.05536	6.1
215.12823	1.3
223.03973	2.1
224.04742	2.7
225.05592	10.3
227.07083	1.4
237.05542	3.1
238.06369	1.3
239.06993	1.9
240.04324	4.7
241.05054	22.6
241.14433	3.3
242.05334	0.9
243.15863	1.1
251.07199	1.0
253.05092	13.2
255.06683	4.3
256.07379	11.9
259.03729	0.9
259.06161	1.9
259.11823	2.0
268.03574	1.3
268.07394	3.3
269.04617	6.7
271.06186	2.2
271.09702	4.4
273.07568	1.0
280.03674	0.8
281.04453	3.3
282.05392	1.7
283.06079	3.4
283.09470	1.1
284.06863	2.9
285.04102	3.2
287.05634	1.2
295.06296	1.3
296.06903	8.0
297.04059	25.9
297.07440	1.2
299.05594	2.6
300.06378	10.3
301.12436	1.0
311.05579	3.2
312.06390	20.5
314.07962	1.9
315.08743	76.7
316.09122	1.1
321.06531	1.0
327.08731	100.0
328.08847	4.2
332.13739	0.8
345.09943	4.7
363.16550	2.7
387.20126	8.8
405.16760	1.2
405.21597	1.6
421.20801	2.8
445.20557	2.0
447.21964	6.0
463.15927	1.4
463.21838	17.2
477.14050	1.4
507.21335	9.1
507.27771	0.9
514.91724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98540	7.2
61.98833	100.0
71.19627	12.4
76.45292	5.7
80.66635	5.6
183.31937	4.5
195.93022	5.9
217.50531	5.8
330.77463	5.3
496.99789	5.4
516.39685	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	507.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	6.2
59.01379	100.0
60.99287	1.8
61.98826	14.7
69.03444	1.3
70.88618	2.5
70.88944	1.4
71.01381	21.6
72.99331	2.4
73.02946	11.0
83.01373	3.7
85.02957	17.9
87.00860	3.9
88.98810	3.0
89.02443	7.2
93.03446	4.2
95.01318	1.4
96.96009	7.1
97.06597	1.6
99.00865	2.9
99.04532	3.2
100.59450	1.2
101.02450	15.8
103.00388	1.4
103.03983	1.9
113.02460	7.4
114.98645	2.1
115.00350	1.5
115.04015	1.9
119.03498	3.1
119.05034	3.5
120.99661	3.4
121.02946	1.8
124.07682	1.8
124.49384	1.5
126.90381	5.9
129.01930	3.3
132.04517	4.6
133.05309	2.5
135.76251	1.4
143.03491	1.6
145.06557	1.8
149.06056	4.3
151.00511	1.9
159.08101	2.8
161.04530	6.6
165.04234	2.1
165.05502	2.3
169.06578	2.5
179.05647	1.8
182.07332	4.9
191.01891	2.8
196.09070	1.7
197.09712	58.6
198.10260	2.9
209.03030	2.2
211.09653	4.7
211.11328	5.5
213.12848	32.4
225.05510	2.0
227.10657	2.5
241.04993	5.8
243.15852	1.5
245.11754	2.3
247.08186	1.5
253.04942	3.4
256.07303	3.4
257.11777	57.1
258.12091	1.6
265.09317	2.0
283.10776	2.4
296.06909	2.2
297.04041	5.1
300.06299	3.1
301.11328	3.2
311.05603	1.4
312.06320	7.0
315.08740	19.0
327.08731	25.4
345.10873	22.2
346.11539	1.4
363.16492	2.2
387.20013	5.4
403.19702	2.1
429.21078	2.2
447.22131	7.1
463.16095	55.5
463.21857	10.6
464.16266	4.9
507.15036	4.0
507.21304	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75297	10.9
59.01378	13.3
60.23336	9.4
61.98836	100.0
63.99241	20.7
70.59667	17.1
114.10542	10.7
169.36053	10.0
179.14825	10.7
235.05383	12.0
409.39474	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	505.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.0
57.03448	3.7
58.00586	1.2
59.01378	31.1
60.01715	0.2
61.98827	0.5
68.99832	0.3
69.03456	0.9
70.62067	0.6
71.01381	55.7
72.01699	0.4
72.99313	2.1
73.02946	14.3
73.39015	0.2
75.00869	1.1
81.03455	0.3
83.01385	6.7
84.02168	0.6
85.02947	26.1
85.06576	0.3
86.00106	0.5
87.00877	2.6
89.02443	14.0
91.57301	0.2
95.01384	4.8
96.40475	0.2
97.02940	1.3
97.06538	0.3
99.00879	6.4
101.02440	34.3
102.02802	0.3
111.00876	2.2
113.02448	24.0
119.03495	5.1
125.02436	1.2
129.01944	0.9
131.03500	0.6
141.01984	0.3
143.03517	2.6
143.10770	3.2
149.04507	0.2
151.00491	0.3
159.02995	4.5
161.04550	19.5
162.04881	0.3
163.14890	0.3
163.52763	0.2
179.05614	1.8
188.61577	0.2
191.79807	0.2
205.03491	0.5
211.17047	0.5
271.02496	0.8
283.26367	0.5
295.26453	0.2
300.02628	1.3
301.03497	0.5
313.27631	0.5
343.28488	12.9
344.28940	0.7
419.26544	0.6
445.27600	0.3
475.32602	0.7
503.31796	0.3
505.33801	100.0
506.26669	0.4
506.34076	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	505.2653
Annotation	Foliasalacioside G
Peak:m/z	Relative Intensity
50.97698	0.6
51.13902	0.5
57.03450	4.5
58.00603	1.2
59.01379	47.6
60.01701	0.9
61.98832	3.0
65.38238	0.5
69.03460	1.2
69.24827	4.3
71.01378	17.4
71.05008	2.5
71.84760	0.5
72.99303	2.7
73.02943	11.0
83.01386	3.4
83.05033	1.1
85.02951	16.7
87.00866	1.9
87.04512	2.4
89.02439	3.6
93.03439	0.7
95.01395	1.6
97.02939	1.5
99.00856	1.5
99.04518	1.3
99.08170	0.6
101.02441	12.1
101.06073	4.8
103.04014	17.1
107.05000	1.2
109.06631	0.5
113.01698	1.0
113.02436	7.5
115.03976	1.7
115.98699	0.6
119.03455	0.9
121.80694	0.5
125.02439	0.9
125.72370	0.6
128.76480	0.5
129.09169	0.8
131.03506	0.6
139.11302	1.4
161.04527	2.1
169.12279	1.3
181.12491	0.6
181.15962	1.7
211.17130	0.8
213.09276	2.9
213.11050	0.6
241.18201	0.7
243.19637	3.2
247.08200	0.6
255.03027	0.6
257.08270	0.8
257.13757	0.8
257.17566	11.7
260.63760	0.6
265.09381	1.6
271.02435	2.6
271.19153	8.2
283.19144	11.0
299.18646	5.6
300.02771	3.8
300.18964	0.6
301.03656	1.8
313.08304	0.9
316.55911	0.5
325.20001	0.8
343.15808	1.1
343.28592	0.7
361.18781	1.7
361.29507	1.3
385.22470	0.9
389.25620	1.8
403.19708	1.0
419.22568	0.6
445.24768	1.2
461.14526	4.1
461.23880	8.1
463.25696	1.5
487.25656	1.5
505.10397	2.4
505.26614	100.0
505.33273	6.0
506.26620	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	505.2571
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.01373	2.0
61.98829	7.3
63.99244	1.2
70.38179	0.8
70.38528	1.4
71.01374	0.6
71.13232	0.5
74.79888	0.5
75.33777	0.4
78.95905	23.8
91.49036	0.7
96.96954	2.6
148.31828	0.5
150.98091	0.5
152.99585	36.4
171.00609	2.3
216.88835	0.5
227.03255	5.1
233.22630	0.9
243.64081	0.5
245.04309	1.8
259.20642	0.7
275.20300	0.6
277.21713	100.0
278.22055	5.3
287.23779	0.5
291.23218	0.7
341.02985	0.5
413.21097	1.3
453.27350	0.5
505.25720	71.5
506.26038	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38831	1.2
50.61011	1.0
54.58535	1.0
59.01376	9.5
61.98824	3.0
78.95902	11.5
83.65244	1.1
85.02947	1.5
95.42559	1.2
126.26530	1.2
152.99585	16.7
227.03239	3.4
228.17508	1.2
245.04279	1.3
271.02621	1.9
277.21704	100.0
278.22012	4.2
279.23322	13.0
280.23608	23.3
281.23743	1.3
300.02618	1.3
301.03586	1.1
301.21600	1.4
411.26459	1.4
505.10025	2.2
505.25568	37.1
505.31320	2.9
506.25830	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	505.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
57.03447	30.1
58.00584	1.3
58.57721	0.9
59.01379	68.4
61.98816	4.7
65.27391	0.9
69.03428	1.4
71.01381	33.5
71.04998	1.0
71.54116	1.2
72.99299	4.3
73.02946	10.8
83.01392	5.0
83.05027	1.6
85.02452	1.8
85.02945	22.4
86.00110	1.2
87.00891	4.3
88.98795	1.2
89.02432	10.2
90.23615	1.0
95.01383	3.4
97.02932	1.8
99.00874	2.2
99.04520	4.8
101.02441	28.1
101.06068	1.1
102.02786	1.0
103.03989	2.7
106.16046	0.8
113.01721	1.5
113.02449	18.4
114.54185	0.8
119.03488	3.4
124.01671	1.0
125.02402	3.6
126.12778	1.0
143.03346	0.9
151.00386	1.0
151.03996	1.4
159.03033	1.1
161.04550	5.5
178.99837	1.1
179.05832	0.9
181.12292	4.7
199.13371	4.9
213.14891	1.0
236.58563	0.9
255.02998	1.6
257.13577	1.6
265.08994	1.1
271.02527	4.8
283.19281	5.2
283.21902	0.8
299.15701	0.9
300.02768	8.6
301.03479	3.6
301.11389	1.6
301.20123	1.9
343.17770	6.4
361.18652	100.0
361.29492	4.2
362.18976	3.9
389.25400	1.1
403.19705	50.1
404.20206	2.2
443.22977	10.2
445.24078	3.1
461.23505	3.8
463.25204	5.9
480.41571	1.0
487.25821	1.4
505.09763	3.8
505.26346	41.4
505.33835	11.7
506.27646	2.0
506.34067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85022	0.4
55.01874	0.8
57.03445	3.6
59.01380	18.8
61.98841	2.2
69.31708	3.2
71.01380	18.4
71.05004	0.5
72.99312	1.0
73.02946	7.2
80.61382	0.4
81.03440	0.5
83.01372	2.4
83.05016	1.1
84.02140	0.7
85.02947	15.9
85.06590	0.5
87.00868	1.5
87.04503	0.7
88.98810	1.4
89.02444	3.7
93.03461	0.6
93.20432	0.4
94.24496	0.4
95.01389	4.4
97.02953	0.9
97.06567	0.9
99.00880	2.0
99.04563	0.4
100.79315	0.4
101.02439	6.0
103.03992	0.8
109.02988	2.5
113.02450	22.9
119.03505	1.2
121.02952	7.9
122.03730	4.7
123.04542	2.3
124.01668	0.7
125.02436	1.3
129.05600	1.3
135.04517	1.5
136.05304	0.4
136.99167	0.5
137.02437	1.1
139.03821	0.4
143.03505	1.0
149.06015	0.5
159.02969	0.5
161.04544	3.8
161.06050	1.4
163.03973	1.4
173.06068	0.8
180.52248	0.4
190.06328	1.4
191.07076	3.8
195.17477	0.5
197.15485	2.1
203.07057	0.6
225.18637	0.6
243.19577	1.3
255.02956	0.8
257.13937	0.6
257.17654	0.5
259.07217	0.4
265.09186	0.8
271.02472	1.8
283.19101	1.1
287.10345	0.6
293.20224	0.4
299.12952	1.2
300.02676	2.6
301.03448	1.2
301.10773	0.4
301.20358	0.9
313.10962	1.8
315.25360	1.7
327.12286	1.1
328.13132	30.0
329.13516	1.4
343.15472	100.0
343.28586	1.5
344.15802	4.7
345.26605	0.6
359.27802	1.0
361.18893	2.2
361.29547	14.4
362.29837	0.6
403.19696	0.7
427.23535	0.4
445.24384	1.7
461.24365	1.0
463.25330	3.2
487.25769	0.6
505.10995	2.0
505.26514	18.5
505.33841	26.7
506.26993	0.6
506.34143	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94497	0.5
57.03436	0.8
59.01382	4.3
59.56949	0.5
61.98825	1.3
69.34909	3.5
69.35313	0.9
71.01382	17.0
73.02930	1.6
83.01367	0.8
85.02940	1.9
89.02438	3.3
93.03460	2.9
96.96005	0.8
98.20399	2.3
101.02422	2.7
107.04974	0.7
108.02174	10.8
109.02946	26.9
111.00887	1.5
113.02475	4.2
115.00375	36.3
119.03526	1.4
119.05030	7.7
121.02937	1.5
122.03745	5.1
123.04498	2.1
124.01633	0.8
125.02399	0.6
131.03485	0.8
132.05724	0.5
133.06602	0.9
134.03740	2.4
135.04526	31.3
137.02441	1.1
145.06548	1.1
147.04488	1.4
148.05292	3.6
149.02425	1.4
150.03218	0.8
154.02751	0.5
161.02403	1.5
161.04619	0.7
161.06099	1.5
163.03993	3.3
173.00975	0.5
179.03491	11.2
185.35837	0.6
193.05055	20.3
207.06593	1.0
207.16693	0.7
221.04451	1.0
226.06372	31.0
227.07129	20.8
228.07358	0.7
234.05251	1.3
237.09192	2.1
239.10733	0.7
253.09085	8.3
254.09192	0.6
255.10265	100.0
256.10635	3.9
299.09222	19.5
300.09644	0.6
307.08243	4.9
343.07806	2.8
389.12408	3.6
415.11990	0.6
445.50110	0.7
461.14731	2.7
477.71268	0.7
505.13446	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	505.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01142	0.3
55.01853	0.3
57.03449	2.4
58.00557	0.4
58.57497	0.3
59.01379	27.5
61.98832	3.2
63.02383	0.4
63.36093	0.3
65.00307	0.8
65.52282	0.3
67.01878	0.4
69.03447	0.4
71.01016	0.5
71.01380	7.6
71.05011	0.5
71.54060	0.4
72.99278	0.9
73.02943	2.6
74.02450	0.3
74.99075	0.8
81.03491	0.4
83.01381	2.0
85.02955	7.4
87.00858	1.3
88.98818	1.8
89.02444	4.2
91.01875	0.6
93.03436	0.9
95.01383	0.9
95.05014	0.5
96.95977	1.3
97.06605	0.5
99.00867	0.9
99.04497	1.1
101.02441	5.4
103.03987	1.5
107.01386	2.7
107.05047	0.5
108.02162	1.7
109.02978	1.9
109.06654	0.3
111.00820	0.5
111.04518	0.7
113.02448	3.2
115.00375	0.5
119.03484	1.4
119.04989	0.5
120.99625	0.7
121.02952	3.2
122.98602	0.3
125.02411	1.1
129.01933	0.8
135.00879	1.0
135.04472	0.4
136.99112	0.7
137.02408	0.6
137.09798	0.4
139.07649	0.4
143.03511	0.5
147.00871	0.6
147.03035	0.7
147.04492	0.4
148.01657	1.9
149.02460	0.4
149.06041	0.5
150.99205	0.7
151.00360	10.4
151.03972	0.5
151.11333	0.4
159.04491	0.4
161.04549	1.0
163.00356	2.1
164.01120	0.9
165.05487	0.3
169.01430	0.3
178.99869	4.9
179.05614	0.6
183.04480	0.4
187.04024	0.7
189.01933	0.4
191.01952	1.4
199.04053	1.3
203.03412	0.4
205.89056	0.3
209.03072	0.5
211.04036	0.7
211.13271	0.3
215.03410	0.5
216.04262	0.6
226.02760	1.7
227.03522	3.1
229.05096	0.8
239.03557	0.7
241.14383	0.9
243.02950	10.4
244.03522	0.7
245.04521	1.3
254.02254	2.5
255.02977	25.7
256.03406	1.1
257.13928	0.5
265.09256	1.0
271.02460	59.5
272.02979	3.3
273.03979	1.2
283.02432	1.3
295.02368	0.3
299.01941	2.3
300.02734	100.0
301.03482	44.6
301.10577	0.7
302.03860	1.5
306.15335	0.4
309.03925	0.5
313.03241	0.4
325.20187	1.1
326.04135	0.5
327.05283	0.7
341.06586	0.3
343.04770	0.4
343.11823	0.7
355.04837	0.8
361.16580	0.6
363.15848	0.3
368.09146	0.4
369.06210	1.3
370.06912	0.8
384.08502	1.2
385.09476	0.9
385.18741	1.0
387.10843	0.5
387.24100	0.4
389.25507	0.4
403.20010	0.3
443.13571	0.6
445.07962	2.5
445.19998	0.8
445.24796	1.4
459.12924	0.5
461.21033	0.7
463.08865	2.8
463.25604	0.5
487.18970	0.5
487.25674	0.8
490.15005	0.8
496.22403	0.6
504.26273	0.3
505.09946	73.4
505.17230	3.2
505.26990	19.2
506.10037	4.5
506.16415	0.6
506.27316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.1
59.01382	0.9
61.94723	0.1
63.02407	0.5
65.00324	1.2
69.39445	0.1
69.39781	0.8
70.07172	0.1
71.01374	0.2
73.02902	0.1
83.01378	0.8
85.02969	0.3
89.60263	0.1
91.01894	0.3
93.03445	0.4
97.87978	0.1
99.00903	0.1
101.02423	0.2
107.01379	2.8
108.02181	1.7
109.02951	1.5
111.00871	0.1
119.01401	0.3
121.02962	2.0
124.01659	0.3
125.02425	0.3
135.00882	1.1
137.02354	0.1
139.03995	0.2
148.01657	1.7
149.02420	0.5
151.00363	10.5
152.01118	0.2
159.04491	0.4
163.00375	2.4
163.03928	0.1
164.01181	0.8
165.01884	0.4
167.04980	0.2
171.04478	0.3
174.03174	0.2
175.04025	0.2
178.99860	4.7
182.03673	0.1
183.04482	0.6
185.06329	0.1
187.03896	0.6
188.04736	0.2
189.01910	0.2
189.05522	0.1
190.02794	0.2
190.99857	0.3
192.00609	0.4
193.01425	0.2
197.02455	0.2
198.03188	0.3
199.03929	1.1
200.04645	0.1
201.01883	0.3
201.05536	0.5
202.02710	0.2
203.03499	0.5
211.03973	1.4
212.04774	0.1
213.01888	0.2
215.03502	0.9
216.04256	0.5
226.02686	1.7
227.03493	3.6
228.04015	0.2
229.01436	0.2
229.04965	0.7
239.03435	0.3
240.04041	0.1
243.02977	12.6
244.03613	0.6
245.04489	1.1
254.02205	2.7
255.02975	28.7
256.03384	1.2
257.04733	0.2
266.02118	0.3
271.02460	62.4
272.02975	4.0
273.04037	1.3
280.61508	0.1
283.02426	1.3
299.02020	1.5
300.02728	100.0
301.03473	39.3
302.03891	1.2
343.04556	0.6
349.93820	0.1
425.26523	0.1
445.07806	0.2
463.08804	2.9
505.09836	67.2
506.10165	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	504.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85174	0.3
59.01379	3.2
61.98830	100.0
69.69124	0.3
69.86395	1.4
71.01369	0.7
71.35567	0.3
73.66954	0.3
76.33043	0.3
85.02980	0.3
116.87273	0.3
125.09737	0.3
125.21135	0.3
147.04575	0.4
168.84320	0.3
215.27911	0.3
228.13170	0.3
261.88715	0.3
300.02698	0.4
505.20984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11924	0.3
51.59350	0.3
57.73141	0.3
57.77044	0.3
60.33487	0.3
61.98827	100.0
62.01284	0.3
71.52568	0.4
99.10885	0.3
153.22316	0.3
193.18118	0.3
221.74451	0.3
507.20001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03456	3.6
58.00593	0.5
59.01377	17.6
60.01712	0.9
61.98830	100.0
64.44150	0.3
65.41747	0.3
69.03470	0.9
71.01382	20.4
71.53954	0.4
72.01727	0.7
72.99311	0.8
73.02946	5.4
74.03310	0.5
74.87302	0.3
77.32446	0.4
81.03470	0.3
83.01402	2.7
83.05033	0.9
85.02951	11.8
85.06641	0.4
86.00080	0.3
86.03302	0.4
87.00877	1.8
87.04520	0.5
89.02444	5.5
90.02811	0.3
94.39807	0.3
95.01378	2.7
97.02992	0.7
97.06615	0.5
98.03359	0.4
99.00866	2.0
101.02443	10.9
101.03107	0.6
102.02789	0.7
103.38580	0.3
111.00904	0.7
113.02449	13.3
114.02818	1.1
119.03499	2.0
124.01733	0.4
125.02453	1.2
129.01941	0.4
135.04558	0.5
143.03484	1.7
143.10759	2.1
152.07230	0.3
157.03648	0.3
159.02977	0.8
159.10258	0.4
161.04559	5.3
161.13438	0.6
162.04916	0.3
163.04010	6.1
178.06346	7.0
179.05696	0.3
193.08696	13.8
193.70937	0.4
194.00780	0.3
257.48694	0.3
271.02640	0.4
271.22812	0.7
311.25970	0.7
313.27530	0.4
323.26169	0.5
341.27017	0.9
342.27728	0.6
359.28119	0.7
361.29517	0.4
443.30240	0.4
459.22586	0.6
460.22940	2.7
485.31339	1.9
486.31409	1.7
487.25482	0.4
503.25134	0.6
503.32291	10.1
504.26172	1.3
504.32834	8.1
505.10394	0.8
505.26630	2.5
505.34079	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	504.0009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95012	0.4
58.39855	0.3
58.41814	0.4
58.52786	0.3
59.01377	26.0
60.01709	1.4
61.01807	0.7
61.98828	100.0
65.47018	0.5
71.51775	0.6
74.55695	0.4
77.14756	0.4
83.64734	0.3
90.97139	0.5
157.03525	0.5
163.51157	0.3
174.97897	0.7
174.99237	5.7
175.99557	0.9
177.96678	0.6
185.60915	0.4
201.02541	2.9
202.02722	3.7
203.02293	3.5
203.99974	8.4
204.02754	0.8
205.45621	0.4
217.00285	20.5
218.00642	7.1
219.00719	1.6
219.97748	55.6
220.99654	0.8
246.73805	0.4
346.00745	0.8
346.04465	0.6
359.01431	2.0
360.01694	8.5
361.01370	9.0
361.98718	29.2
362.99600	1.5
416.13101	0.4
440.49411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
68.05243	4.1
69.14896	48.4
71.92553	4.3
73.73591	4.5
81.32372	4.9
98.20612	10.3
105.02032	5.3
145.00401	5.1
146.15617	4.7
248.27930	4.9
274.66611	4.5
322.09937	4.7
353.50064	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	503.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27886	0.4
57.03447	2.9
58.00557	0.7
59.01123	0.7
59.01385	10.4
61.98839	1.0
69.20020	0.5
70.52438	1.0
70.52779	0.8
71.01382	6.5
73.02929	1.1
73.31332	0.6
75.00855	0.6
83.01405	0.9
85.02953	19.3
87.00866	0.7
89.02438	1.5
99.00944	0.7
99.04512	0.6
101.02432	2.3
103.04012	30.2
109.92193	0.5
113.02453	0.7
117.05573	0.6
125.02428	0.6
216.20503	0.6
227.55417	0.6
239.23750	0.6
255.23276	30.3
256.23618	1.6
265.09225	2.5
267.23294	1.3
269.24841	22.4
297.24252	2.8
300.64651	0.6
306.49783	0.5
313.23853	1.1
503.32257	100.0
504.32529	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07203	0.7
55.01873	4.3
55.02087	0.6
57.03446	15.4
58.00583	1.1
59.01377	100.0
60.67682	0.6
61.98825	3.1
69.03451	3.6
69.30396	2.0
69.30812	4.5
71.01379	69.8
71.05026	2.0
72.99304	2.6
73.02940	18.8
75.00878	1.2
76.79910	0.7
83.01382	10.8
84.02160	0.9
85.02948	48.8
85.06594	3.1
86.00069	1.6
87.00879	5.2
87.04517	2.4
89.02440	16.6
90.70984	0.7
95.01399	10.3
97.02939	3.5
97.06593	4.4
98.20679	1.3
99.00878	7.7
99.04532	0.9
101.02439	38.0
101.06013	0.7
103.03963	1.1
111.00854	1.5
112.01682	1.1
113.02448	49.9
119.03484	6.9
124.01645	1.6
125.02454	6.2
129.01917	1.9
131.03508	1.4
138.94801	0.7
143.03484	5.2
143.10791	5.2
151.11305	0.9
159.03003	4.4
161.03264	1.6
161.04552	25.5
167.06110	1.3
178.68980	0.7
179.05571	1.4
197.15404	1.3
237.18559	1.5
253.21599	0.9
271.22699	7.8
281.17459	1.1
299.25967	1.8
311.25970	3.3
313.27240	1.4
323.25885	3.0
328.30151	0.8
337.26865	0.9
339.25235	0.8
341.27036	3.3
359.16925	1.0
359.28052	9.3
377.20932	0.8
399.23825	12.1
415.27020	2.5
417.25333	3.6
424.54156	0.8
433.27881	5.9
455.30206	1.9
459.14285	1.3
459.21408	1.8
485.31055	2.1
503.25305	7.0
503.32230	81.1
504.32529	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	503.1925
Annotation	Gaultherin B
Peak:m/z	Relative Intensity
51.49766	0.2
52.30474	0.2
54.03967	0.2
55.01877	0.3
59.01369	0.8
61.98822	0.3
68.99850	0.2
71.01382	2.2
71.52927	0.3
72.99312	0.3
73.02943	0.6
79.05527	0.9
81.03424	0.4
83.05037	0.6
85.02957	0.3
93.03456	0.3
95.05039	0.4
95.69331	0.2
99.00882	11.7
99.04523	0.3
105.07062	0.3
107.05038	0.4
109.02930	0.3
111.04532	1.1
119.08663	0.7
120.05853	0.3
121.02983	0.6
121.06590	2.8
123.04495	0.3
126.83575	0.2
131.08621	0.2
133.06664	0.3
135.04524	2.7
139.04027	0.5
139.07637	0.3
145.10222	0.5
147.08163	0.3
149.06097	1.1
151.04022	0.3
151.07646	0.7
157.10162	0.4
159.04437	0.3
159.08209	0.3
161.06064	0.7
164.04790	0.8
165.05556	0.3
173.06076	0.4
175.07687	0.3
177.05656	0.4
187.07617	0.3
194.82312	0.2
197.09766	0.3
199.07780	0.3
199.11304	1.0
201.09174	0.3
203.07062	0.2
209.09700	0.4
210.06877	0.3
211.07660	1.0
211.11154	0.2
212.08444	0.4
213.09267	0.3
227.10767	2.7
229.08833	0.3
237.09229	0.3
239.10875	0.4
255.10249	0.7
265.08505	0.4
266.09247	0.3
268.07312	0.5
273.11237	0.6
281.11798	0.4
283.09799	0.9
294.09085	0.6
299.12878	0.4
315.15854	0.3
343.11761	1.5
359.18610	0.3
361.12833	0.7
369.17084	0.2
371.11304	0.7
387.18121	0.5
389.12424	14.0
390.12781	0.9
403.17615	0.7
415.17633	0.3
441.19156	0.4
459.16580	16.5
460.17065	1.2
475.19281	0.3
485.17987	2.2
503.19229	100.0
504.19531	5.5
506.44791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.192
Annotation	Gaultherin B
Peak:m/z	Relative Intensity
54.05951	0.4
59.01375	2.2
61.98831	3.2
62.43051	0.2
63.56523	0.3
71.01382	2.5
71.53754	0.5
73.02925	0.9
79.05558	0.4
83.05018	0.4
93.03473	0.5
95.05070	0.5
98.20383	0.3
99.00880	12.1
99.04520	0.5
101.02431	0.3
109.02949	0.3
111.04506	1.0
113.06134	0.4
119.08649	0.6
121.02964	0.5
121.06565	2.9
123.04552	0.4
131.08652	0.3
133.06619	0.6
135.04523	2.1
139.04097	0.4
145.03003	0.4
145.10240	0.6
147.08125	0.4
149.06085	1.2
151.03967	0.3
151.07649	0.7
161.06100	0.7
164.04797	0.9
177.05524	0.4
181.10399	0.3
185.06107	0.3
185.42233	0.3
191.07019	0.3
199.11252	1.2
209.09671	0.6
211.07658	0.7
212.08279	0.7
227.10797	2.6
231.02956	0.3
239.10730	0.3
255.10255	1.1
268.07309	0.6
281.11703	0.5
283.09790	1.1
294.09073	0.4
309.11310	0.5
343.11731	1.7
361.12866	0.5
371.11084	0.8
386.89902	0.3
389.12402	14.7
403.17093	0.4
459.16577	16.7
460.16745	1.0
485.18109	2.0
503.19223	100.0
504.19626	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	502.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
90.33506	0.4
91.24770	0.5
98.19872	0.8
98.20571	1.7
142.36230	0.4
229.72604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94601	1.1
57.03452	6.4
57.24862	1.0
59.01375	25.6
60.99296	6.1
61.98825	2.8
69.31604	2.0
69.32011	7.3
71.01378	10.8
72.99309	1.6
73.02953	4.1
74.71410	1.0
75.00889	1.2
81.03454	1.5
83.01363	1.3
83.05047	1.0
85.02952	12.8
87.00877	1.3
87.04497	0.9
87.70024	0.9
88.98795	1.0
89.02439	8.3
93.03452	3.4
95.01381	1.4
96.96001	6.5
98.19905	1.4
99.04520	3.3
101.02441	9.6
103.03996	1.2
107.05048	1.0
108.02165	1.0
109.02945	1.4
109.08060	0.9
111.00864	2.1
113.02478	5.7
119.03499	2.2
125.02440	3.8
128.03510	1.6
129.01952	7.7
133.02953	1.3
134.03720	1.9
135.04539	6.8
137.02444	1.4
145.06569	2.6
145.10213	2.4
147.02995	5.5
147.04295	1.1
147.08168	1.6
149.05977	1.1
151.03897	1.2
155.08621	2.7
156.05820	1.3
157.10217	95.4
158.10553	3.7
159.08151	5.2
161.04552	2.6
161.06094	2.3
161.09703	5.2
163.11220	1.5
165.05452	1.3
171.08121	4.1
173.09628	1.1
175.03955	1.2
175.11205	2.2
179.03506	5.6
179.05580	2.9
179.07037	1.4
187.11198	2.6
189.09200	93.8
190.09550	3.1
191.01962	3.6
199.11218	1.3
201.09207	3.8
203.10739	1.3
207.10263	2.9
209.02893	1.2
219.10217	3.9
226.06319	1.3
227.07117	1.0
233.08243	1.6
237.11310	7.0
249.07835	1.0
281.10287	100.0
282.10623	3.6
285.11325	5.8
293.10251	8.8
295.12054	2.4
313.19623	1.0
323.11334	24.4
324.11761	1.1
329.10052	1.4
353.12424	1.8
373.09222	5.0
443.14853	1.3
459.18585	3.1
503.12500	2.9
503.17459	2.0
513.02271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42220	0.2
61.98829	100.0
69.32825	0.8
69.33247	0.9
80.13934	0.2
98.19946	0.5
99.66759	0.2
118.47061	0.3
129.15512	0.2
134.70100	0.2
158.27577	0.2
167.53371	0.2
231.92676	0.2
271.55713	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
65.01022	0.4
69.38342	2.1
73.31996	0.3
77.85321	0.4
98.20287	1.4
106.63227	0.4
122.09364	0.3
143.59981	0.4
161.68520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73527	0.4
61.98830	100.0
62.99232	0.3
65.57513	0.4
69.32964	2.9
69.33355	0.7
69.75569	0.4
72.66228	0.3
78.09734	0.3
81.59869	0.4
83.33618	0.4
98.20594	0.7
100.38557	0.4
100.78345	0.3
102.05640	0.4
303.55438	0.4
342.28345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
55.79564	0.5
57.03446	2.0
58.00585	0.8
58.59191	0.4
59.01381	39.7
60.01696	1.2
61.98832	4.7
62.62877	0.5
69.03453	0.5
71.01382	20.4
72.99313	1.6
73.02947	3.6
75.00887	0.6
81.03455	2.1
83.01392	2.5
83.05030	8.5
85.02953	10.9
86.03281	1.0
87.00881	1.5
89.02446	9.6
95.01397	1.5
96.08175	0.9
97.02936	0.6
98.19908	1.3
99.00870	1.7
101.02446	13.7
103.04032	2.0
111.00921	0.5
113.02457	7.2
115.07628	1.3
119.03493	4.0
124.01690	0.6
125.02414	1.8
126.02777	1.1
127.04032	1.0
128.03546	0.7
129.01944	0.8
129.09232	0.5
135.04514	0.5
137.09721	0.9
139.07652	15.6
139.11256	1.4
140.10840	0.8
143.03583	0.6
149.99641	0.8
153.05594	0.7
156.10323	1.5
157.08687	1.0
158.11865	5.1
159.03014	0.7
161.04572	1.4
165.90584	0.5
168.00633	1.4
180.13930	1.4
181.12344	8.3
183.10204	1.2
201.32971	0.5
206.11848	1.5
224.12886	5.2
265.09259	0.8
266.09409	0.6
320.17294	1.2
322.20358	0.7
362.77982	0.6
404.19235	6.2
484.25302	1.1
502.26572	100.0
503.26529	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	501.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12577	0.3
59.01379	100.0
60.01711	0.7
60.63517	0.3
61.98831	1.3
71.01381	1.9
71.54103	0.3
73.02949	0.5
78.46666	0.3
79.76502	0.3
80.56099	0.3
85.02932	1.8
87.00881	0.3
89.02473	0.6
101.02471	1.0
103.04058	0.6
111.00899	0.7
111.14497	0.3
113.02454	0.8
118.67513	0.3
124.86037	0.3
161.04578	0.5
166.32306	0.3
173.03673	0.3
173.62233	0.3
182.91959	0.3
265.09329	0.4
282.64102	0.3
316.02588	0.3
316.18420	0.4
399.24042	0.7
441.24487	0.4
452.96063	0.3
459.24066	1.1
501.22879	1.6
501.31082	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17251	3.1
52.91473	3.7
59.01373	17.4
59.31878	3.2
61.98831	68.4
71.01388	13.6
71.52819	4.5
73.02955	7.1
80.12930	3.2
101.02453	7.4
113.02520	10.3
133.01202	3.5
155.08041	3.9
181.14149	4.2
236.30612	3.6
275.23672	4.0
279.23291	100.0
293.24844	50.1
321.24323	17.7
326.59802	3.4
333.24475	4.3
468.51428	4.3
501.35880	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01378	100.0
60.01706	0.5
61.79314	0.2
61.98825	0.7
67.74285	0.3
69.16389	1.9
69.16814	0.8
71.01378	3.0
71.05021	0.4
73.02950	1.4
83.01399	0.4
85.02948	3.4
86.45256	0.3
87.00872	0.3
89.02459	1.6
96.96005	5.0
98.19776	0.4
99.00828	0.3
99.04534	0.5
101.02450	2.5
103.04018	0.7
113.02441	1.3
117.05570	0.6
119.03535	0.3
121.02955	0.6
125.02473	0.4
129.01930	1.3
129.09212	0.5
151.11266	0.3
161.04594	0.8
165.56291	0.2
177.09276	0.4
190.43076	0.3
191.01950	0.4
191.03459	1.8
197.04651	0.3
241.00272	0.5
241.91824	0.3
251.07799	0.6
253.14565	0.6
256.99823	0.8
259.11935	0.3
264.98389	0.3
265.09460	0.7
267.16217	0.3
279.10953	0.9
297.07880	1.0
324.71515	0.3
375.54150	0.3
441.24982	0.4
444.40527	0.3
457.21088	0.9
501.10913	4.7
501.23816	3.2
502.11392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.249
Annotation	Penisimplicin B
Peak:m/z	Relative Intensity
52.97422	0.5
53.28687	0.5
54.29356	0.5
55.01870	3.2
59.01381	16.0
61.98840	2.1
65.65267	0.5
69.22195	4.3
71.01385	0.7
73.02980	0.7
79.05548	0.5
85.02950	50.6
86.03269	0.5
87.04484	0.6
95.05020	0.7
97.06573	0.8
99.04539	0.6
105.13834	0.6
111.04525	0.9
116.04929	0.5
121.06628	1.1
125.06139	0.6
129.07185	0.7
144.99181	0.5
146.07388	1.2
147.08174	3.9
149.09752	0.6
161.09703	1.8
166.94534	0.5
169.05699	0.6
169.10217	0.5
173.09732	3.6
175.11269	1.5
201.12875	2.0
291.13748	0.5
295.15451	2.4
311.16571	1.8
325.17957	0.7
355.19150	1.3
379.17542	0.9
397.24200	0.6
415.24863	12.8
416.25314	0.9
441.22821	15.1
442.22992	1.2
443.28122	1.8
449.17834	0.6
459.23862	71.4
460.24158	5.2
483.23788	1.3
501.24933	100.0
502.25146	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	501.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71977	0.3
55.01868	0.7
57.03431	0.6
59.01379	8.2
61.98822	0.8
65.52753	0.3
67.01239	0.4
69.09472	0.3
69.62947	1.5
71.01383	10.1
72.99308	0.8
73.02946	3.9
83.01363	1.3
83.37246	0.3
85.02948	6.0
86.00085	0.4
87.00875	3.6
88.98827	0.4
89.02439	2.9
95.01389	0.8
96.96015	2.5
99.00887	1.2
101.02441	7.5
113.02441	4.3
114.61131	0.4
116.92856	0.9
119.03412	0.8
125.02450	0.6
129.01886	0.7
131.03528	2.4
135.98468	0.4
136.07697	0.5
139.78706	0.4
143.03522	0.4
147.04517	0.4
149.06084	0.7
159.02951	1.0
161.02440	0.9
161.04572	3.9
161.07222	0.8
162.04369	0.5
163.03883	0.4
163.08812	1.0
175.02551	0.7
176.04454	0.6
176.05917	7.6
177.06686	19.0
178.07172	0.4
187.05104	0.4
188.05890	0.6
191.02026	0.8
191.08253	18.6
193.05112	0.5
203.08284	3.2
205.06169	38.0
206.06372	0.7
209.02980	1.2
219.07729	29.1
220.08012	1.0
221.06697	1.5
231.07680	0.5
243.07790	0.7
245.22087	0.3
257.09378	0.5
261.08716	0.5
293.11340	0.6
321.10904	2.3
338.13831	0.4
339.06061	0.9
339.11987	2.8
368.89282	0.4
458.14810	0.4
483.16290	0.8
501.17282	100.0
502.17487	5.4
518.76886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43579	0.6
55.01889	1.5
57.03443	7.2
58.42136	0.6
59.01379	100.0
61.98850	3.2
70.25858	0.6
71.01380	8.9
71.05037	1.0
72.99316	1.3
73.02950	5.5
79.95736	0.9
80.96497	0.8
83.01386	3.9
83.05042	1.0
85.02951	44.4
87.00868	1.5
89.02436	5.0
96.96012	12.0
97.06615	0.7
98.20851	0.6
99.00874	0.7
99.04530	2.1
101.02444	6.9
103.04036	2.5
111.00872	6.0
113.02477	2.8
117.05533	0.8
119.03542	1.9
121.02985	2.4
129.01945	17.6
129.09219	13.6
147.03015	2.4
147.04556	0.7
147.88518	0.7
151.11319	0.9
153.05614	2.3
161.04597	2.5
173.00928	5.9
177.09329	0.8
179.05696	0.7
191.01988	2.7
191.03563	3.6
197.04550	4.6
197.11847	2.1
203.63089	0.6
209.11877	0.7
220.10706	0.6
229.28140	0.7
241.00464	0.7
245.13918	0.9
251.07819	1.4
253.14470	1.7
256.99832	1.8
259.11902	1.2
265.07031	0.9
265.09439	1.8
279.10947	1.9
297.07840	1.9
303.10974	2.5
321.11807	2.9
327.06982	3.2
371.06003	1.0
397.22281	0.9
457.20889	1.9
501.10895	9.8
501.24506	8.3
502.30511	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.7
57.03445	3.5
58.00578	4.3
58.02974	4.4
59.01377	100.0
59.16662	1.8
59.60336	1.9
71.01380	70.9
71.18916	1.8
71.54095	2.4
72.99303	4.6
73.02921	1.9
75.00838	1.9
83.01376	3.3
85.02946	20.7
85.80660	1.7
87.00882	5.1
89.02444	83.4
92.27612	1.8
95.01373	5.9
96.96011	11.8
99.04572	1.8
101.02436	30.7
113.02454	26.6
114.93384	2.0
115.00299	2.2
119.03500	34.8
125.02415	2.7
128.03513	2.5
131.03513	6.0
143.03491	9.2
147.04492	10.1
149.04536	4.4
153.01929	2.7
161.04536	7.5
164.07162	24.7
171.08092	2.6
179.05618	33.6
191.01962	1.7
199.07669	3.1
206.08209	41.5
209.03133	2.8
228.04237	4.5
233.57828	1.9
243.06575	2.3
260.03464	3.1
261.07593	27.8
324.41071	2.2
342.51550	1.9
389.99728	2.0
501.15469	2.9
501.25143	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	501.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49008	0.8
55.01873	1.9
57.03449	14.9
59.01379	91.4
60.01699	1.4
61.98848	4.3
62.87813	0.9
66.14602	0.7
68.99813	0.9
69.23973	6.9
70.33118	0.9
71.01381	13.6
71.05024	1.9
72.99316	2.0
73.02948	5.3
83.01383	7.9
83.05019	0.8
84.02171	2.4
85.02950	100.0
87.00869	2.6
88.98808	1.8
89.02452	8.6
97.02950	1.0
98.20055	2.7
99.00877	1.5
99.04493	0.9
101.02443	10.1
103.00356	1.0
103.04027	8.1
111.00872	13.0
113.02425	5.3
119.03489	1.2
121.02934	5.5
123.00908	0.9
125.02460	2.8
129.01942	41.8
129.09215	26.4
138.03224	1.0
143.10785	1.8
147.02995	5.3
149.99522	1.2
151.00343	2.2
153.05539	5.0
158.05960	0.9
161.04526	1.6
165.12816	1.6
166.02708	13.2
168.00597	1.9
173.00917	12.4
173.13199	1.0
181.05081	23.9
182.02179	1.5
183.13828	1.0
185.11845	1.1
191.02020	5.9
191.10757	0.8
197.04556	10.6
197.11826	4.1
202.48158	0.8
203.65099	0.8
211.45035	0.8
227.12897	1.7
245.13847	1.1
247.08234	1.3
251.07669	2.6
252.16029	1.2
253.07092	2.6
253.14256	1.4
259.11896	3.8
265.07053	2.9
265.09311	3.3
270.16800	1.3
303.10815	3.8
321.11871	5.1
321.16815	1.3
327.07202	3.5
371.06241	2.5
385.22345	1.1
397.22336	3.3
415.23331	2.8
457.20599	1.4
459.23923	1.2
500.28674	2.9
501.16312	7.2
501.24707	5.0
501.29596	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	501.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
57.03446	4.0
58.02973	9.8
59.01386	21.0
61.98825	6.5
69.25226	6.9
69.25654	5.7
70.02977	5.5
71.01386	12.2
72.00922	2.3
73.02953	2.9
75.00859	2.8
78.95938	1.6
79.95733	2.6
83.01401	2.3
85.02950	20.7
86.03267	2.1
87.00832	1.5
89.02439	5.9
91.05525	2.3
96.96012	37.0
101.02433	4.6
111.00847	3.4
113.02438	4.3
115.00327	1.6
115.78093	1.4
119.03477	2.7
119.05096	2.2
125.02451	2.5
129.01924	3.3
135.04526	7.8
139.04083	1.5
147.04523	18.8
164.07161	54.4
168.00650	2.0
169.01492	2.1
169.53674	1.5
173.00940	1.5
177.05455	1.7
179.03534	1.8
179.05597	2.4
185.95523	1.4
191.01952	3.5
197.04460	2.2
203.26451	1.5
205.06151	3.0
206.08218	100.0
207.08519	2.6
208.03864	1.6
209.03014	5.3
211.03369	2.2
211.51419	1.4
223.06059	3.0
260.03601	6.9
279.08749	1.5
281.07275	1.7
483.14282	2.4
501.16019	11.2
501.24219	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	501.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
57.03446	4.0
58.02973	9.8
59.01386	21.0
61.98825	6.5
69.25226	6.9
69.25654	5.7
70.02977	5.5
71.01386	12.2
72.00922	2.3
73.02953	2.9
75.00859	2.8
78.95938	1.6
79.95733	2.6
83.01401	2.3
85.02950	20.7
86.03267	2.1
87.00832	1.5
89.02439	5.9
91.05525	2.3
96.96012	37.0
101.02433	4.6
111.00847	3.4
113.02438	4.3
115.00327	1.6
115.78093	1.4
119.03477	2.7
119.05096	2.2
125.02451	2.5
129.01924	3.3
135.04526	7.8
139.04083	1.5
147.04523	18.8
164.07161	54.4
168.00650	2.0
169.01492	2.1
169.53674	1.5
173.00940	1.5
177.05455	1.7
179.03534	1.8
179.05597	2.4
185.95523	1.4
191.01952	3.5
197.04460	2.2
203.26451	1.5
205.06151	3.0
206.08218	100.0
207.08519	2.6
208.03864	1.6
209.03014	5.3
211.03369	2.2
211.51419	1.4
223.06059	3.0
260.03601	6.9
279.08749	1.5
281.07275	1.7
483.14282	2.4
501.16019	11.2
501.24219	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	501.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.7
59.01379	48.9
60.87017	2.0
68.99815	3.2
70.26184	7.1
71.01009	3.7
71.01381	49.6
72.72097	1.9
72.99303	4.0
73.02941	4.3
75.00846	3.7
80.80601	2.1
82.95462	1.9
83.01386	6.4
83.96817	2.0
85.02952	14.5
87.00869	17.8
89.02441	42.3
93.03448	18.6
95.01386	4.8
96.95975	3.3
99.00879	8.0
100.10276	2.3
101.02443	14.0
107.05001	3.4
109.02914	2.4
111.00858	5.2
113.02439	15.8
115.00367	22.4
117.03433	5.3
117.09691	2.1
119.03535	16.9
119.05016	46.9
123.04520	2.5
125.02410	3.8
127.00354	5.9
129.01936	7.1
130.04199	3.8
131.03505	3.8
131.05031	4.3
133.02948	11.8
133.06580	4.6
134.03752	2.5
135.04506	6.5
143.03470	2.8
143.05000	7.4
145.02992	9.7
145.06612	6.2
147.04532	14.0
148.05263	6.7
149.06065	28.3
157.01367	5.6
157.06590	2.5
159.04498	6.9
161.02458	5.0
161.04549	5.9
161.06055	14.3
163.02747	3.1
163.04008	28.5
171.04491	6.6
172.05225	2.9
173.06114	9.7
175.02498	43.0
175.03989	7.4
177.05577	32.9
179.05609	23.0
179.07063	3.3
185.06110	3.1
187.04002	22.4
187.07549	3.1
189.05566	33.4
190.02711	5.3
191.03517	4.8
191.07147	3.6
193.05008	3.6
197.06097	2.4
199.04015	5.6
200.04855	3.1
201.05511	3.4
203.03394	2.5
203.07117	3.7
204.55194	2.0
205.05043	87.6
206.05426	4.2
213.05450	2.8
215.03387	2.9
215.07095	2.7
217.05031	22.9
219.06549	3.4
221.02383	3.4
221.04544	69.1
229.04919	2.8
231.06557	6.8
233.08133	6.4
235.05931	3.7
241.05026	2.7
259.06107	16.2
261.04028	26.4
273.07660	4.1
277.07150	100.0
278.07529	4.5
279.05090	6.1
293.06723	3.2
319.08090	6.1
321.06143	32.3
322.06638	3.0
337.07733	8.5
339.07050	15.1
439.12167	7.9
483.11691	9.7
501.12198	55.9
502.13174	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	501.1251
Annotation	Daphneside
Peak:m/z	Relative Intensity
55.01867	1.2
57.03423	1.1
58.00600	0.8
58.41000	0.8
59.01380	15.4
61.98822	1.4
63.15772	0.8
71.01379	9.3
73.02949	1.9
78.95900	2.5
80.91679	5.2
83.00174	0.7
83.01384	5.9
85.02955	6.5
86.99789	0.8
87.00894	1.4
88.64919	0.7
88.98801	1.2
89.02438	9.9
92.04446	0.8
95.01369	1.0
95.09343	0.9
96.96007	9.3
96.96933	1.0
98.20414	5.5
98.95591	7.8
98.96453	1.6
99.00864	1.8
99.57224	0.8
101.02448	7.7
109.02956	10.5
110.81283	0.9
111.00884	1.7
113.02446	3.0
115.92085	1.1
116.92847	1.7
119.03509	2.9
119.05017	1.3
121.02966	1.4
121.06570	1.8
122.03741	1.0
123.04523	1.3
125.02435	2.0
126.36035	0.8
129.01959	1.4
133.02950	2.8
134.03755	1.1
135.04530	9.1
137.02461	4.0
143.03555	1.0
143.04695	0.9
145.02950	3.6
146.03705	1.7
147.04532	15.9
148.05261	2.4
149.06081	62.2
150.06410	1.5
159.04544	2.1
160.05099	0.9
161.02467	5.6
161.04773	1.3
161.06082	11.4
162.03072	0.8
162.06197	0.9
163.04028	8.2
163.47942	0.9
165.05545	3.4
167.03546	4.2
172.05261	2.3
173.06032	2.3
174.03102	1.3
175.02530	1.0
175.03981	17.9
175.07587	1.0
176.04810	1.7
177.01828	3.8
177.05544	2.3
179.05630	1.2
185.04604	1.3
185.06071	4.0
187.03995	2.4
187.07658	2.4
187.20496	0.9
188.04745	2.0
189.05597	2.4
191.02022	1.9
191.03560	2.3
191.07144	1.4
193.05078	8.5
200.04840	1.1
201.05389	1.0
203.03456	1.4
203.07216	3.9
205.05089	6.8
207.06517	1.0
209.02994	1.0
210.08582	0.8
215.03506	1.0
215.07123	5.5
216.04303	0.9
217.05034	1.2
219.02991	13.6
220.03358	1.2
221.04482	3.7
229.05190	1.8
231.06528	1.6
233.08154	2.5
237.04051	29.7
259.06088	8.4
277.07162	7.7
295.08322	1.2
321.06122	1.5
337.05649	1.3
338.25732	0.8
339.07132	6.2
340.07428	1.0
347.09882	1.4
457.13477	16.4
501.12445	100.0
502.12692	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	8.2
59.01384	86.5
60.01722	1.1
60.99310	14.2
61.16921	0.9
61.98834	4.0
67.01877	1.1
71.01382	20.1
71.05026	2.2
71.13610	1.7
72.99326	2.2
73.02948	7.8
75.00874	1.2
80.96520	40.4
83.01389	2.8
83.05033	2.4
85.02954	29.1
85.87679	0.9
87.00872	1.9
87.04518	1.6
88.98810	100.0
89.02445	10.4
92.33983	1.0
92.55725	1.0
95.01366	1.5
95.05043	2.3
96.62866	1.0
97.02953	1.4
97.06584	2.3
99.00898	2.7
99.04501	2.5
101.02450	11.6
103.04009	15.5
111.00895	1.5
113.02458	8.0
113.09746	2.1
115.71225	1.1
118.98076	1.1
119.03524	3.6
120.11142	1.0
121.02966	1.5
123.08190	1.4
125.02473	1.2
128.03528	1.0
129.01973	3.8
129.09238	1.3
135.08186	1.4
140.10829	3.8
147.11836	1.2
148.05286	2.2
148.91016	2.4
153.05606	1.6
161.04561	2.3
161.09706	1.2
163.07689	3.6
165.12811	1.4
173.00859	1.4
173.13257	1.0
177.97108	1.1
181.12393	1.7
181.14052	1.0
191.10823	1.7
191.14395	1.5
193.12283	1.3
197.04631	1.3
209.11865	1.6
217.12325	1.2
225.11470	1.1
243.12474	3.7
244.12675	2.3
247.08250	1.2
249.14961	1.1
251.07655	2.6
253.10989	1.4
253.14478	4.1
265.09332	10.3
267.16064	2.2
282.71573	1.2
295.10291	1.7
295.15662	1.9
297.11230	1.4
306.07535	1.4
315.18381	1.7
397.22491	4.4
400.74777	1.2
415.02515	2.9
415.23557	7.3
428.30545	1.4
457.20932	8.1
500.28958	3.5
501.24191	73.8
502.24258	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	501.0261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66725	0.3
59.01376	77.4
60.01697	0.7
61.98813	0.4
62.67550	0.3
71.52107	0.3
90.97140	0.9
108.68105	0.3
118.96618	0.5
119.87202	0.3
119.88203	0.3
129.17853	0.3
132.98215	1.8
157.03572	3.2
159.01472	1.2
174.99239	22.4
201.02542	34.2
202.02679	1.2
217.00279	100.0
218.00632	1.3
227.83589	0.3
253.68221	0.3
267.65182	0.3
312.69815	0.4
343.03683	3.3
359.01443	72.3
360.01584	3.7
477.01273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26993	0.5
53.57919	0.6
55.01879	0.7
57.03448	3.8
58.02966	1.8
58.86866	0.6
59.01378	64.8
60.01695	2.1
61.98829	6.3
69.03480	0.7
71.01383	3.4
71.05015	7.2
73.02940	2.8
81.90578	0.8
82.96592	0.6
83.05045	0.9
84.04534	3.4
85.02943	5.4
87.00870	0.9
89.02464	1.0
95.05016	0.6
96.08189	1.3
96.48932	0.6
97.06593	2.8
98.02464	1.1
98.19902	1.2
98.20589	2.2
99.00835	0.7
99.04486	0.7
100.01202	0.6
101.02437	3.5
103.04003	1.0
112.61545	0.7
113.02445	1.3
113.09714	2.4
121.02974	0.8
128.03529	8.0
129.01945	0.9
136.99118	0.6
137.09683	1.1
138.09283	1.0
139.11264	1.7
140.10802	11.1
143.10753	2.7
151.11278	1.5
155.10728	0.8
165.12796	2.3
166.02724	1.1
167.10760	4.6
168.00603	0.7
180.13908	0.7
181.05060	2.2
182.05370	1.1
182.15483	4.2
183.10300	0.8
183.13893	11.5
184.09753	1.3
185.10120	0.8
185.11809	7.3
192.13948	0.9
195.13881	1.5
197.04529	0.9
208.17062	4.3
210.14981	23.7
211.15234	0.6
213.14970	0.9
227.12764	1.1
243.12318	1.9
245.13890	9.9
252.16049	2.5
255.15962	1.1
270.17078	11.2
272.15070	1.5
277.14508	0.7
278.14511	1.5
299.18787	1.3
314.15894	1.5
315.17996	6.0
386.41324	0.8
402.21317	1.4
456.23148	0.7
456.29623	1.0
473.35947	0.7
500.28625	100.0
501.23822	1.3
501.29385	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	500.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37355	0.6
57.03444	3.5
59.01376	15.7
61.98829	100.0
65.64368	0.7
71.01383	7.5
71.05018	0.7
73.02945	6.7
83.01392	2.6
83.95651	0.6
85.02954	17.7
85.06586	4.6
86.03312	2.8
89.02460	2.9
96.96033	1.7
98.20659	1.8
99.04531	1.2
99.17369	0.7
99.92623	0.9
101.02426	6.0
103.04011	10.4
111.00851	0.8
113.02453	2.5
113.06102	3.3
115.04025	1.6
116.39734	0.6
116.92897	1.3
124.39561	0.7
125.02483	1.6
128.03575	2.0
129.01952	2.5
139.03983	0.7
147.03026	2.6
148.03413	0.9
154.91911	0.7
157.05060	1.4
161.04608	1.5
191.01952	4.0
196.02589	1.2
247.08247	2.2
265.09274	5.5
304.06302	1.6
307.10315	14.7
437.16599	29.9
438.16611	1.9
457.20673	1.3
482.19659	2.3
498.69037	0.7
500.15286	1.1
501.23935	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56279	0.2
59.01375	0.9
61.98825	0.5
67.32729	0.2
71.01381	0.5
71.52888	0.2
72.00909	10.0
85.02965	0.2
85.20463	0.2
89.02432	0.4
91.05533	0.3
99.23373	0.2
101.02437	0.4
103.05502	1.0
113.02473	0.2
119.03486	0.2
119.05022	0.4
135.04536	0.2
147.04517	31.4
148.04807	0.5
149.06093	0.3
164.07159	100.0
165.07478	1.7
173.08130	0.4
237.03659	0.2
335.13470	3.5
357.93112	0.2
501.11819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32204	5.5
58.44305	5.8
59.01379	7.4
61.98808	16.3
71.01363	20.8
71.15711	11.5
75.00880	10.3
84.34975	6.4
101.02406	8.6
113.02432	18.8
149.30820	6.1
268.77707	6.8
277.18893	9.4
277.21695	100.0
278.22067	6.3
319.22836	24.3
348.52692	6.1
349.23694	9.7
433.39380	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	499.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00563	3.8
59.01376	27.8
67.96178	2.7
69.32404	18.4
69.32827	8.1
71.01379	19.7
73.02944	16.3
85.02954	5.7
85.94162	3.0
89.02454	5.7
89.70966	2.6
90.70842	2.6
97.06619	3.0
98.20063	9.3
99.83461	2.7
101.02436	10.3
110.91388	3.1
113.02442	11.2
119.03526	3.9
139.07578	4.5
167.96298	3.9
273.22256	13.1
277.21710	100.0
291.23315	78.0
301.21719	7.8
319.22745	20.6
331.22675	4.6
349.23822	4.6
467.30624	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01714	0.5
61.03623	0.3
61.98830	1.6
66.79290	0.2
67.66488	0.2
69.22400	2.5
71.01389	1.6
73.02979	0.4
78.68404	0.2
85.02941	1.3
87.68063	0.2
89.02453	0.4
96.96024	0.3
101.02477	1.1
101.51438	0.2
103.04077	0.3
113.02470	0.7
140.10786	0.3
155.72357	0.2
161.04604	0.4
206.33115	0.3
207.13936	0.5
235.13457	0.3
251.12923	0.3
251.16682	0.6
314.16837	0.3
351.78787	0.3
379.21085	0.3
386.42807	0.3
397.22369	0.9
413.22086	0.7
439.23563	1.0
455.23138	1.0
499.25989	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55857	0.7
57.03445	2.9
59.01379	100.0
60.01730	1.1
61.98825	7.1
62.33810	0.8
63.28646	0.7
70.87068	2.1
71.01383	10.7
72.99283	1.5
73.02954	5.6
78.81664	0.8
80.91676	1.9
83.01383	3.1
85.02952	18.8
87.00848	1.0
88.98798	1.0
89.02451	5.5
92.80040	0.8
96.96021	1.1
97.06608	1.2
97.26012	0.9
99.04490	1.2
101.02448	7.3
103.04007	6.3
108.02173	1.0
109.02916	1.2
111.00864	2.9
113.01756	0.9
113.02408	5.6
119.03492	3.2
121.06602	1.1
123.00879	0.8
123.04568	1.2
124.01617	0.8
125.02415	1.5
129.01938	4.5
131.03404	0.9
135.04428	1.0
135.08205	1.1
137.09709	4.1
137.37021	1.1
142.96950	1.0
147.03011	1.4
149.99640	1.1
161.04521	1.8
164.54388	1.0
168.00652	1.8
177.09183	0.8
189.12909	1.6
205.03535	1.9
223.97496	0.8
227.11047	0.9
233.11836	2.0
233.15453	10.9
251.16475	12.7
265.09271	15.2
272.32272	1.1
292.13019	0.8
318.11246	0.8
379.11896	1.1
383.20456	1.0
387.57745	0.8
395.20721	7.4
413.21835	10.5
455.22867	27.0
456.23419	1.9
499.22754	7.7
500.22632	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
59.01374	2.6
60.99286	0.3
71.01379	2.8
73.02959	0.5
78.95902	5.4
79.95724	2.5
83.01383	0.9
85.02946	3.2
87.00862	1.2
89.02441	1.3
91.68198	0.3
96.96008	100.0
96.96921	12.2
98.20744	0.6
99.00896	1.0
101.02444	1.0
109.02939	1.4
113.02438	1.3
115.00366	3.9
127.00373	0.4
129.01930	0.4
133.02939	1.2
135.04498	0.6
145.02917	0.5
147.02965	0.3
147.04498	0.7
148.05313	0.6
149.06075	5.3
157.01421	0.4
159.04411	0.5
161.02440	6.5
161.04465	0.4
161.06154	0.4
163.03998	0.7
165.05551	0.4
174.03156	0.6
175.02455	6.5
175.03987	2.0
177.01956	1.9
177.05493	1.1
179.03558	0.5
186.53394	0.3
187.03989	1.0
189.05504	1.0
191.01988	0.4
191.03526	0.6
191.07135	0.3
193.04990	1.3
203.03525	1.7
205.05009	0.8
206.02092	0.6
209.02965	1.1
215.03468	1.3
218.05824	0.5
219.02962	2.0
219.06787	0.3
221.04462	0.5
229.43260	0.3
230.49104	0.3
232.03487	0.3
233.04591	2.3
233.08031	0.7
236.06888	0.6
237.03970	2.9
245.04379	0.6
247.06131	0.3
251.09207	2.1
257.04327	0.3
275.05545	1.1
277.03479	2.4
283.07413	0.3
293.06754	1.8
319.04486	1.3
319.12079	0.3
335.07501	0.4
337.05463	11.2
338.06070	0.6
341.10730	0.4
342.88959	0.3
455.11823	1.6
499.10727	9.2
500.10992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	1.6
57.03587	0.9
58.00487	0.9
59.01254	11.4
59.01590	5.0
69.90199	1.6
69.90591	1.6
71.01241	13.4
71.01688	3.8
72.99174	1.6
73.02829	1.5
73.03188	0.7
83.01237	5.2
85.02798	12.3
85.03370	2.0
87.00713	9.5
89.02283	6.3
89.02879	1.5
93.03337	0.8
95.01244	1.6
98.20024	1.0
99.00709	9.7
101.02259	5.7
107.04935	0.7
109.02772	9.7
109.03590	1.3
111.00771	1.3
111.56417	0.9
113.02263	6.3
115.00184	31.1
115.01077	3.5
119.03338	2.4
121.02757	2.1
121.06496	1.0
123.00760	0.9
123.04382	0.8
125.02289	1.1
127.00172	4.7
129.01701	0.7
131.03345	0.8
133.02748	10.7
135.04494	5.3
137.02316	0.8
139.00186	1.8
143.03358	1.0
143.04779	0.9
145.02763	1.9
147.04309	5.1
148.05083	3.7
149.02298	1.4
149.05865	46.7
149.07172	3.1
150.06270	1.1
150.32681	0.7
151.03836	0.9
153.01779	1.2
157.01196	1.8
159.02864	0.9
159.04285	3.1
161.02443	49.2
161.03719	3.0
161.04338	2.5
161.05998	3.5
161.07060	0.8
162.02931	1.3
163.04007	4.7
165.01759	1.0
165.05318	2.3
171.04337	1.7
173.05922	1.4
174.02979	4.7
175.02249	51.3
175.03815	19.2
175.05325	2.2
176.04434	0.9
177.01933	16.0
177.05287	2.4
179.03268	2.2
183.02792	1.3
185.05885	1.1
187.04018	11.5
188.04514	3.1
189.01811	1.2
189.05566	8.4
190.02481	1.6
191.03267	3.0
191.07025	1.0
193.05049	9.1
201.01677	1.0
201.05310	2.1
203.03496	6.9
203.06970	0.8
204.03960	0.9
205.05055	4.0
206.02214	3.4
213.05345	2.5
215.03526	9.3
215.06822	1.2
216.04092	1.0
217.04854	2.2
219.02977	20.1
219.06241	1.1
220.03149	1.0
221.04317	2.0
224.17188	0.8
227.01738	0.9
229.04823	1.6
231.02859	1.6
231.06615	4.9
232.03728	1.1
233.04539	21.2
233.07999	1.0
237.04025	26.1
245.04492	3.3
247.05833	2.5
249.07639	3.6
255.78809	0.8
257.04306	1.6
273.07538	1.4
275.02753	0.9
275.05551	10.2
277.00647	1.1
277.03513	20.5
293.06644	14.4
294.06763	1.0
319.04556	11.4
335.07584	2.8
337.05469	100.0
338.05756	3.0
349.98871	0.7
410.79572	0.9
455.11850	14.3
456.12592	1.0
499.10925	91.9
500.11517	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	498.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.6
59.01110	0.5
59.01382	7.0
61.98832	100.0
67.58483	0.4
69.31199	0.6
69.31609	2.6
71.01383	2.2
73.02966	0.9
74.64677	0.4
81.03423	0.4
83.01389	0.6
85.02955	4.7
89.02460	1.7
89.29288	0.4
90.03549	0.4
98.19865	0.7
99.00932	0.5
101.02441	2.1
103.04016	7.6
111.08165	7.3
111.08894	0.6
113.02456	0.7
113.06093	0.8
119.03487	0.7
139.07690	2.0
153.09254	1.9
155.07164	3.6
157.05023	0.5
161.04530	0.5
169.08696	1.4
187.09779	2.6
197.08224	1.6
229.10840	0.6
247.08307	0.9
255.89684	0.5
265.09296	4.1
403.16122	0.5
435.18680	35.4
436.19293	1.9
455.23212	0.6
466.19678	0.4
498.19052	0.8
499.21982	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77780	0.3
52.71608	0.3
57.03449	0.8
59.01103	0.6
59.01384	6.2
61.98832	100.0
71.01383	1.5
71.54063	0.3
73.02959	1.5
76.38027	0.3
83.01399	0.7
83.05037	0.4
85.02959	2.7
89.02466	0.8
93.03533	0.3
96.84264	0.3
96.95975	0.4
98.20384	0.3
99.00824	0.4
99.04569	0.3
101.02465	1.3
101.71879	0.3
103.04017	0.5
109.02935	0.3
111.08168	0.4
113.02457	1.0
113.06008	0.3
119.03469	0.3
119.05016	0.4
123.04556	1.4
125.02459	1.8
126.02771	0.4
128.03688	0.3
138.05582	0.3
146.09027	0.4
149.02431	0.3
149.99586	0.5
161.04662	0.4
161.06087	0.7
167.03499	4.9
168.00719	0.4
179.03555	0.6
220.86913	0.4
223.04475	0.3
265.09360	1.1
273.07697	8.7
349.18564	0.6
361.11722	0.4
378.18326	0.4
391.19855	0.4
435.12744	2.2
437.65421	0.3
457.22379	7.8
498.16663	1.6
499.23221	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3118
Annotation	Hemiasterlin B
Peak:m/z	Relative Intensity
55.01877	3.4
56.97200	0.2
57.03444	2.5
58.00595	1.4
59.01380	31.7
59.85612	0.2
60.01695	0.2
61.98830	0.8
68.99805	0.3
69.03460	0.6
69.56686	0.2
71.01381	49.2
71.54168	0.3
72.01727	0.4
72.99303	2.1
73.02946	13.3
75.00867	0.6
75.23112	0.2
78.95918	0.3
81.03462	0.5
81.87400	0.2
82.73795	0.2
83.01388	7.0
84.02188	0.3
85.02948	22.4
86.00099	0.6
86.03275	0.2
87.00881	2.8
89.02445	15.5
95.01387	3.6
96.95991	0.2
97.02952	0.8
99.00881	6.4
99.04502	0.3
101.02443	41.5
102.02810	0.3
103.04005	3.0
111.00902	0.7
112.01718	0.3
113.02448	21.3
119.03505	6.9
119.04354	0.5
125.02471	1.6
129.01952	1.1
131.03488	0.9
135.04529	0.3
139.00392	0.3
143.03514	2.7
149.04567	0.6
152.99623	0.5
159.02979	4.7
161.04553	24.9
161.13353	0.5
176.98698	0.2
179.05618	2.6
187.11296	0.6
205.03613	0.6
205.12358	0.4
245.15414	0.2
249.11421	0.4
249.14861	0.5
253.08382	0.2
265.09296	4.1
271.20718	1.1
273.22144	0.4
291.23358	0.4
315.23322	0.4
317.24692	1.0
332.26752	0.2
335.25903	4.7
379.24731	0.4
391.11765	0.2
453.21255	4.7
497.31171	100.0
498.31680	5.8
519.19934	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53371	0.4
53.04105	0.4
57.03444	1.0
59.01377	100.0
60.01729	0.7
61.98828	21.9
67.04029	0.4
71.01382	4.6
71.54616	0.6
72.49088	0.4
72.65620	0.4
72.97243	0.4
72.99320	0.5
73.02941	5.3
83.01400	1.6
85.02952	5.4
87.00893	0.6
89.02454	1.4
95.01434	0.4
96.96035	0.7
98.20592	0.5
101.02437	4.5
103.04017	2.3
104.04375	0.5
111.00906	0.5
113.02452	1.8
119.03564	0.8
121.02988	1.3
129.02032	0.5
129.09227	0.7
130.62247	0.4
135.08148	2.6
156.03510	0.4
161.04556	0.8
161.13380	1.7
171.10349	0.6
186.12167	0.6
187.11298	2.0
205.12408	2.1
220.31421	0.4
229.12384	0.6
231.13936	0.6
249.11317	2.3
249.15038	1.2
265.09351	1.5
266.09634	1.1
275.20374	0.4
307.10495	0.7
308.10760	1.2
321.12109	0.6
389.38715	0.5
393.19629	0.5
395.21030	0.5
411.20328	2.3
434.21152	8.9
453.21365	3.7
465.57690	0.4
479.30762	0.6
485.63684	0.4
497.21008	0.7
497.25446	1.6
497.32309	3.6
498.26965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87929	0.7
55.01890	1.0
57.03445	1.6
58.00599	0.7
59.01377	27.9
61.94698	0.6
61.98828	8.0
64.39226	0.7
65.65335	0.6
69.28187	4.9
71.01385	9.3
72.99308	0.9
73.02946	5.6
83.01386	1.3
85.02952	3.7
86.15612	0.7
87.00877	1.4
89.02440	3.1
95.01413	0.9
99.00874	1.1
101.02440	6.3
103.04008	1.5
108.02180	1.2
113.02464	2.6
119.03490	0.8
143.04663	0.6
152.01187	0.9
161.04590	0.6
189.12897	1.6
231.13878	16.1
236.74098	0.7
249.14948	32.4
250.15179	0.9
261.14954	0.9
265.09308	1.0
291.15979	1.7
393.19302	6.3
411.20236	26.5
412.20575	1.3
421.19763	1.3
453.21277	100.0
454.21472	5.8
465.18521	2.4
497.20340	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	497.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94811	0.8
55.01857	0.9
56.84378	0.9
57.03442	5.5
57.42392	0.8
58.00583	1.3
59.01376	53.3
59.46802	0.8
61.98803	1.6
66.11031	0.8
69.66711	5.3
71.01022	1.4
71.01379	21.4
72.99290	1.7
73.02925	2.8
73.90490	1.1
77.16130	0.9
83.01347	1.7
83.04986	1.0
85.02944	33.6
87.00845	2.3
89.01955	1.2
89.02441	15.6
95.01355	1.4
98.19945	1.8
98.20609	1.9
99.04469	2.1
99.36820	1.1
101.02438	14.6
103.04005	61.3
104.04337	1.2
110.51079	0.9
111.04520	1.4
113.02440	8.7
113.45329	0.8
119.03494	7.4
135.04480	1.0
143.03401	1.3
145.04984	1.3
147.11723	2.3
161.04434	1.5
161.13330	13.1
162.38939	0.9
179.05551	1.7
185.09555	1.0
185.13318	2.2
187.11279	13.3
205.12357	8.3
229.12396	5.0
247.08125	1.5
247.13223	3.4
249.11211	1.0
265.09265	100.0
266.09424	3.2
267.09552	1.7
298.53961	0.8
350.51001	0.9
371.63275	1.1
453.21262	96.1
454.21582	6.2
479.19116	1.4
497.19861	30.4
498.20541	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01939	1.1
57.03533	5.1
58.00676	2.0
59.01135	7.1
59.01464	43.0
60.87403	0.7
61.98626	0.7
61.98916	2.3
65.15773	0.7
70.54100	2.2
71.01043	4.5
71.01480	37.6
72.99412	2.6
73.03049	5.9
82.10433	0.7
83.01506	5.5
83.05102	1.2
85.02494	3.9
85.03062	42.6
87.00998	2.5
89.02562	19.9
95.01492	2.5
95.05077	1.3
97.03024	0.8
99.00883	3.4
99.04581	1.5
101.02560	33.1
103.04016	61.4
107.05098	0.8
113.02453	17.5
117.05650	0.7
119.03501	8.1
124.05309	0.9
125.02519	1.3
129.02008	0.8
131.03560	1.1
135.04604	1.4
143.03564	1.3
145.05196	2.2
145.32899	0.9
147.11922	2.6
152.99710	0.9
156.21725	0.7
159.03082	2.5
159.11865	1.2
161.04565	12.8
161.13362	13.7
175.07784	1.0
179.05684	2.0
185.09764	1.6
185.13408	1.9
187.11293	15.7
203.14485	2.1
205.12341	8.5
216.74379	0.9
219.13966	1.0
229.12422	4.6
231.14064	1.0
244.30946	0.7
247.08147	2.1
247.13391	3.3
249.11284	1.7
249.14981	0.9
265.09277	100.0
266.09689	2.1
335.25830	2.0
383.13217	1.1
411.16333	1.6
453.21283	94.3
454.21548	4.4
479.18463	1.8
497.19748	33.8
497.31247	47.2
498.20087	2.4
498.31241	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	497.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36604	1.9
57.03443	3.9
59.01381	18.3
61.98823	6.1
63.14096	2.0
71.01384	9.4
71.53770	2.2
73.02962	1.9
74.99088	2.9
80.05052	8.1
85.02946	18.5
87.00872	1.9
88.98792	8.9
89.02444	6.8
89.02948	1.7
92.05036	1.9
94.06617	9.1
96.08195	3.2
96.96011	6.5
97.01679	2.7
101.02416	5.2
103.04012	3.1
104.05037	2.6
106.02994	2.2
106.06622	4.1
108.04578	3.3
109.02956	2.0
109.05322	3.8
111.00851	3.0
113.02441	5.1
119.03615	2.7
120.04550	11.1
121.05354	4.4
122.06114	34.4
123.04474	2.7
124.04015	2.8
124.07680	36.9
125.02433	2.3
129.01927	3.7
135.04478	2.0
136.04030	4.8
136.07678	2.7
140.07158	2.7
146.03777	2.3
147.02940	3.9
148.04044	82.0
148.07692	4.7
150.03218	8.3
150.05609	30.9
151.03979	5.9
152.03540	1.8
152.07112	3.3
165.05554	5.5
166.05051	9.9
168.06668	7.6
179.07083	2.0
181.05086	4.3
181.46944	1.7
184.11395	2.0
191.01991	6.3
192.02245	1.7
194.04591	4.2
195.06528	2.3
197.07210	5.2
198.07924	4.6
199.12427	3.3
200.09535	6.6
201.11299	3.1
210.04085	4.0
211.08810	3.0
212.09451	16.8
213.06497	1.9
213.10268	6.7
215.11894	26.2
225.06693	29.3
225.10193	4.3
226.07414	3.5
226.11075	6.6
227.11877	33.4
228.08839	3.1
229.09747	2.8
229.13405	3.1
231.11523	7.4
240.09038	31.4
241.09639	3.4
243.11314	18.6
249.13416	4.2
254.36870	2.1
255.11388	53.2
268.74725	2.1
272.11612	5.4
273.12418	79.9
274.12561	2.7
275.10245	3.5
277.66934	2.0
287.10339	7.2
291.13443	8.0
299.10361	19.4
316.10385	11.3
317.11395	100.0
318.11768	4.6
334.11551	2.3
335.12497	39.3
361.11111	8.6
437.15607	6.4
479.16714	86.5
480.17093	7.2
497.16977	27.7
497.22995	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	497.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82114	1.2
57.03447	2.2
59.01379	100.0
60.90156	1.3
61.98828	9.9
63.28772	1.4
65.97954	1.3
71.01379	23.9
73.02946	31.0
76.49751	1.3
79.05518	1.6
81.03460	2.3
82.23048	1.4
83.01398	7.8
83.05019	2.6
85.02950	12.8
89.02438	6.5
95.05001	2.6
101.02442	23.2
103.04007	11.1
107.05029	2.7
113.02448	9.0
119.03486	3.4
120.05853	2.1
121.02961	11.5
125.02447	2.6
131.03517	1.9
135.04498	10.8
135.08176	3.5
135.44286	1.5
144.31750	1.4
144.47337	1.6
149.06075	6.2
159.08144	3.1
159.11787	2.5
161.04552	2.7
161.13353	49.6
162.13678	2.4
165.01927	2.7
185.09737	3.0
185.13322	4.4
187.11269	44.2
201.12764	1.6
205.12334	45.1
222.77524	1.4
229.12317	17.3
239.53302	1.7
247.08194	2.1
247.13327	4.4
249.11298	24.2
249.13850	2.4
249.14989	1.6
265.09247	13.7
295.79459	1.6
383.13461	10.7
416.59863	1.4
437.25632	2.1
453.21365	8.8
497.19531	17.9
497.31360	5.1
498.20306	3.0
498.26852	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	497.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.9
61.98828	17.8
65.36938	0.5
71.01377	1.5
71.53417	0.9
85.02953	2.9
89.02457	0.9
96.96012	1.6
101.02422	1.1
109.06580	1.3
113.02439	0.7
117.03465	1.7
119.05022	98.1
120.05361	2.2
121.02921	0.5
127.06699	1.4
127.07645	26.9
129.01962	1.0
134.03787	1.0
143.07184	1.1
145.02946	8.4
146.03381	0.6
149.05972	0.6
151.03947	0.5
151.70859	0.5
163.04002	100.0
164.04330	2.3
171.06627	17.4
172.06975	0.6
189.07675	30.1
190.08093	0.8
197.04552	0.8
205.80829	0.6
214.28319	0.6
251.45433	0.6
311.09485	1.0
317.56186	0.6
325.09271	9.1
329.07706	0.8
335.11334	15.5
351.12790	2.7
389.10251	1.2
404.12726	1.1
419.15216	3.2
431.14963	0.8
464.18622	0.6
467.16998	0.9
479.16870	1.7
497.16580	35.4
498.16837	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	497.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46344	1.2
57.03455	2.1
58.00599	1.9
58.01151	1.3
59.01380	100.0
61.98835	14.7
64.17012	1.4
66.13879	1.3
68.40863	1.4
69.34214	11.0
71.01380	33.9
72.99307	1.9
73.02945	35.7
78.95927	1.6
80.02699	1.9
83.01371	11.0
83.05036	3.4
83.24623	1.4
85.02952	13.1
87.00865	1.4
89.02448	5.5
95.05019	2.1
97.03003	1.9
97.06584	1.8
99.04512	2.9
99.08210	1.6
101.02440	24.2
101.41739	1.5
103.04023	5.5
107.05034	1.6
113.02451	7.8
119.03493	2.1
120.05846	1.7
123.08201	2.0
125.02425	2.1
131.03494	1.5
135.04518	1.7
135.08138	3.4
140.10831	2.2
152.04727	1.5
155.03494	1.3
157.06633	1.4
158.15100	1.3
159.08171	2.3
159.11795	3.0
161.04578	5.2
161.13359	41.8
162.13632	2.1
169.10173	2.7
170.67435	1.3
171.10266	2.6
185.09663	2.8
185.13354	6.1
187.11270	32.5
188.11591	2.6
203.05626	1.5
203.14320	2.0
205.12326	42.4
211.13300	8.3
219.72043	1.4
229.12383	21.4
229.14503	3.6
247.13406	4.2
249.11331	17.4
249.15027	2.6
265.09177	9.6
292.65027	1.4
329.23328	15.2
339.59644	1.6
453.20993	5.3
497.19339	4.7
497.26007	14.0
497.31415	3.3
498.26434	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	497.1667
Annotation	Globulusin B
Peak:m/z	Relative Intensity
53.51064	0.4
54.03910	0.4
57.03443	0.8
59.01385	4.4
61.98831	6.1
69.03447	1.8
70.98751	0.4
71.01366	2.1
73.02939	0.7
77.42713	0.4
79.01904	0.9
81.03435	0.6
83.01390	1.2
85.02950	2.3
89.02450	1.2
95.01385	1.4
96.95992	0.4
97.02973	2.2
99.04525	0.6
101.02429	1.3
103.04017	1.6
107.01366	0.9
108.02181	0.6
109.02927	1.2
113.02425	0.6
121.02860	0.7
123.00890	6.1
124.00743	0.7
124.01664	19.5
125.02448	47.1
135.04495	0.5
137.02434	2.4
149.99583	25.7
151.00433	3.0
151.04071	0.6
167.03503	0.5
168.00638	52.8
169.01399	4.1
183.96986	0.5
184.31367	0.5
191.03412	0.7
204.16428	0.4
205.12120	0.5
261.07642	2.1
265.09164	0.9
313.05783	1.1
435.26166	0.7
453.21420	1.1
479.16562	0.5
497.16586	100.0
498.17075	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	496.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53933	0.5
57.03457	1.0
59.01383	7.0
61.98830	100.0
65.44357	0.4
67.53903	0.5
70.37068	0.6
70.37427	1.6
71.01385	3.3
71.25822	0.5
73.02950	1.0
85.02948	4.7
87.04543	1.7
89.02458	1.1
101.02453	1.6
103.04005	9.9
109.02975	0.5
113.02483	0.5
115.33334	0.5
161.77303	0.5
167.10767	1.1
185.11826	15.6
199.13383	6.7
204.70192	0.5
227.12912	3.9
265.09229	0.8
295.39740	0.6
405.42569	0.5
433.20786	54.7
434.21140	2.6
522.65186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
59.01381	11.8
61.98831	100.0
71.01380	5.3
72.99311	0.5
73.02952	1.6
78.61207	0.4
83.01340	0.4
85.02956	4.2
85.26758	0.4
87.00888	0.7
87.04534	0.8
89.02444	3.3
97.02974	0.4
98.19941	1.2
101.02448	3.6
103.04014	6.9
108.02177	0.8
109.06613	1.5
113.02493	2.1
118.83424	0.4
119.03497	1.6
125.02431	0.4
135.04591	0.8
143.03549	0.5
153.05595	10.0
161.04559	0.9
167.07167	2.2
220.19331	0.4
227.16469	0.6
229.44804	0.4
237.10338	0.5
249.15109	0.8
253.09706	0.5
255.89917	0.5
265.09277	19.0
267.07562	0.4
280.08502	0.6
281.09540	0.6
296.11639	2.2
328.10745	1.1
401.14532	7.8
402.15793	0.4
420.19330	2.7
433.17123	14.8
433.24341	1.8
453.21603	2.2
464.18295	4.1
496.18240	0.7
496.30408	1.0
497.20410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
57.03454	1.1
59.01381	20.0
61.98831	100.0
71.01386	5.3
73.02945	6.7
83.01386	2.4
85.02949	8.3
89.02458	1.9
95.01369	0.7
97.18015	0.5
101.02437	5.9
103.04016	11.1
104.39610	0.5
105.90289	0.5
110.56609	0.5
113.02477	2.7
119.03528	1.0
133.76273	0.5
161.04573	1.0
185.11797	4.4
247.08267	2.1
265.09268	6.1
307.10361	11.7
433.20764	46.7
434.21255	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
59.01381	11.8
61.98831	100.0
71.01380	5.3
72.99311	0.5
73.02952	1.6
78.61207	0.4
83.01340	0.4
85.02956	4.2
85.26758	0.4
87.00888	0.7
87.04534	0.8
89.02444	3.3
97.02974	0.4
98.19941	1.2
101.02448	3.6
103.04014	6.9
108.02177	0.8
109.06613	1.5
113.02493	2.1
118.83424	0.4
119.03497	1.6
125.02431	0.4
135.04591	0.8
143.03549	0.5
153.05595	10.0
161.04559	0.9
167.07167	2.2
220.19331	0.4
227.16469	0.6
229.44804	0.4
237.10338	0.5
249.15109	0.8
253.09706	0.5
255.89917	0.5
265.09277	19.0
267.07562	0.4
280.08502	0.6
281.09540	0.6
296.11639	2.2
328.10745	1.1
401.14532	7.8
402.15793	0.4
420.19330	2.7
433.17123	14.8
433.24341	1.8
453.21603	2.2
464.18295	4.1
496.18240	0.7
496.30408	1.0
497.20410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.9
57.10352	0.8
58.66315	0.8
59.01377	12.8
61.98828	100.0
70.31255	0.8
71.01376	4.6
71.53897	0.8
73.02925	1.3
83.01398	1.0
85.02953	10.1
86.03278	1.7
87.03393	0.8
88.98800	3.3
89.02398	1.9
93.03372	0.8
96.33582	0.8
96.96008	1.8
99.04487	1.5
101.02441	2.6
111.00847	1.1
113.02448	2.2
119.05067	1.6
121.02932	2.2
122.03226	0.9
125.02412	1.6
129.01898	2.8
130.02245	0.8
151.00397	3.7
153.05664	1.0
163.00287	1.6
163.03984	1.5
173.00896	1.1
178.99818	2.3
191.01988	1.3
227.03574	1.0
243.02953	4.8
254.01918	1.0
255.02982	11.7
261.12027	1.0
266.37680	0.8
271.02463	31.2
272.02982	2.1
299.01715	1.0
300.02722	67.0
301.03476	16.8
320.66370	0.9
334.10675	0.9
351.20004	0.9
374.98148	0.8
389.17856	0.9
406.17755	1.4
433.07724	79.3
434.08023	3.6
459.83035	0.8
495.25333	1.6
495.32623	1.1
496.17902	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	495.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73834	65.6
55.48543	63.5
60.14795	63.9
61.98818	100.0
71.53143	76.6
79.03585	61.3
93.68375	54.3
110.58660	64.3
119.78554	69.7
200.35612	57.3
318.94824	61.4
344.83145	57.3
363.33633	64.4
367.84335	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.6
58.00591	2.1
58.12992	0.2
59.01380	52.9
61.98831	2.1
62.96152	0.2
68.99848	0.3
69.03460	0.6
71.01382	63.1
71.53829	0.4
72.01727	0.3
72.99308	3.1
73.02947	16.2
75.00882	1.2
81.03468	0.3
83.01387	8.6
84.02158	0.6
85.02950	26.8
86.00102	0.3
86.03278	0.4
87.00872	3.1
88.95876	0.2
89.02446	23.9
90.02793	0.3
95.01385	5.0
96.66461	0.2
97.02948	1.1
99.00883	7.0
99.04549	0.3
99.26833	0.2
101.02444	54.4
102.02826	0.4
103.04027	0.9
110.02216	0.2
110.21174	0.2
111.00882	0.7
112.01637	0.3
113.02451	27.6
119.03503	9.8
125.02418	1.6
129.01959	1.4
131.03503	1.4
132.87358	0.2
139.60281	0.2
143.03503	4.5
149.04558	0.8
159.02992	6.3
161.04555	29.7
162.04980	0.3
174.90144	0.3
179.05598	3.7
205.03510	0.5
265.09305	1.4
269.19174	0.4
271.20667	6.0
274.35294	0.2
297.22177	0.3
299.20071	0.5
313.21570	0.4
315.19968	0.4
315.23230	1.7
333.24344	11.6
334.24817	0.6
375.18961	0.4
377.23480	0.7
437.61075	0.3
495.29623	100.0
496.30032	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	495.172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62404	0.6
59.01370	3.9
71.01384	3.4
83.05027	14.7
85.02956	1.2
85.06588	2.6
89.02441	2.4
93.03452	0.7
101.02446	1.5
108.02153	0.7
109.02928	0.6
111.04517	100.0
112.04870	2.2
112.98824	1.5
113.02488	1.0
119.03487	1.2
129.01901	0.6
129.04169	0.6
129.05609	1.7
142.99846	0.6
152.01135	1.4
153.35759	0.5
155.03473	0.9
159.02953	0.6
161.04633	0.8
165.04141	0.5
173.04541	79.6
174.04884	1.7
179.05594	0.9
303.10757	2.9
315.07120	2.4
321.11877	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	495.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.5
59.01378	61.1
60.01726	0.5
61.98830	14.1
65.19440	0.4
69.49179	2.7
71.01376	2.8
73.02940	0.8
85.02939	2.3
87.04510	8.1
89.02437	1.0
96.96014	1.1
101.02434	2.1
103.04009	100.0
104.04353	0.9
113.02430	1.1
115.51270	0.4
134.64297	0.5
152.01151	0.6
153.05609	0.7
161.04562	1.0
167.07124	0.4
204.55405	0.4
205.27472	0.4
209.39157	0.4
232.35822	0.4
265.09241	1.7
313.23874	0.5
314.24249	0.6
315.24503	0.8
323.32562	0.4
327.21564	0.9
328.10519	0.6
334.22928	0.4
349.18658	0.7
401.14429	0.7
420.19266	1.0
433.17050	1.2
464.18137	1.4
494.30508	1.5
495.18585	0.9
495.24515	1.1
495.30792	15.8
496.30920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26285	0.6
56.45941	0.7
59.01392	0.8
61.98830	6.5
71.91227	0.5
78.95905	44.0
84.24554	0.7
88.23045	0.6
92.95386	0.7
96.96959	5.0
98.19873	1.4
103.66851	0.5
150.98022	1.7
152.99582	100.0
153.35678	0.7
159.23763	0.5
162.09286	0.7
171.00662	3.9
211.13383	1.0
277.21710	1.1
344.51245	0.8
431.21997	30.5
432.22348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
58.00594	0.3
59.01384	3.2
61.98830	100.0
63.95879	0.3
69.02023	0.3
69.03460	0.4
69.36558	1.8
69.87256	0.3
71.01400	1.6
73.02964	0.4
85.02950	4.1
89.02453	0.9
92.88643	0.3
93.07076	0.4
99.04530	0.8
101.02462	0.6
103.04010	6.7
111.08173	0.3
119.03547	0.3
119.22709	0.3
120.38369	0.3
123.08124	0.4
127.07646	1.1
129.01898	0.3
136.50102	0.3
137.06073	0.9
139.11305	1.5
143.03571	0.4
155.07108	0.8
165.09210	0.5
183.10213	2.7
197.11801	1.4
225.11345	1.8
247.08076	0.5
251.12888	0.6
253.97301	0.3
265.09262	2.0
407.15045	0.3
431.19183	39.5
432.19693	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	493.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42886	17.9
56.37962	17.9
61.98803	22.8
69.93456	100.0
81.92966	18.4
90.14788	20.1
98.20628	35.3
114.20041	18.4
145.76511	17.0
246.59538	18.6
288.99619	20.8
407.28271	24.8
419.31702	57.3
493.35373	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	494.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
59.01383	21.4
61.98831	100.0
62.71759	0.7
69.36391	5.0
71.01373	3.2
73.02956	1.6
83.01397	0.6
85.02956	5.8
85.73210	0.6
89.02433	1.3
96.96017	1.2
98.20723	1.0
99.00889	0.6
99.04510	0.7
101.02469	2.4
103.04013	6.7
113.02459	2.0
120.99681	0.7
121.10284	1.3
125.02486	0.9
143.03470	0.8
157.21960	0.5
161.04596	0.8
163.11221	0.6
183.10254	4.2
192.95979	0.7
197.10245	0.6
197.11916	1.1
225.11478	1.1
260.01953	0.9
265.09329	2.0
332.03970	1.1
350.19318	0.9
400.01779	0.6
431.19165	31.3
432.19522	1.7
450.20020	0.7
451.90866	0.6
476.27554	3.1
494.19177	1.2
494.27444	1.3
495.15387	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65647	28.0
61.98818	100.0
68.35072	35.6
85.44002	27.3
98.20667	77.8
99.15794	28.6
131.57886	29.9
132.75345	33.1
153.66972	27.4
226.98079	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	493.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24693	0.2
55.01888	0.5
57.03451	2.5
58.00589	0.5
59.01381	14.2
61.98826	1.3
64.56976	0.2
69.21362	1.1
69.21786	1.0
71.01382	7.7
72.99310	0.6
73.02942	1.7
74.99086	0.2
83.01384	1.2
83.05038	0.3
85.02948	4.1
85.06588	0.5
87.00874	0.3
89.02450	4.2
95.01398	0.8
97.02906	0.3
99.00873	0.8
101.02446	5.6
103.99617	0.2
111.00890	0.3
113.02453	2.9
119.03537	1.4
125.02494	0.3
128.63092	0.2
129.01929	0.4
143.03508	0.3
143.10759	0.5
151.50999	0.2
159.10442	0.2
161.04515	0.5
181.16011	0.7
183.13850	1.3
195.17566	0.4
209.19090	4.0
233.77031	0.2
245.17583	0.4
251.20186	0.5
267.23291	1.0
269.21207	0.2
285.24380	1.0
313.23840	17.4
314.24197	0.9
327.25418	0.2
331.24921	6.2
339.21094	0.2
433.22650	0.3
433.28284	0.5
451.29196	0.4
475.29019	0.7
493.30185	100.0
494.19308	0.2
494.30511	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03447	1.1
58.00594	0.3
59.01383	7.6
61.98821	0.5
67.37257	0.2
69.03481	0.3
71.01384	5.4
71.53451	0.3
72.99306	0.6
73.02953	2.1
83.01394	1.9
85.02953	4.0
86.00092	0.6
87.00905	0.5
89.02444	0.7
94.09895	0.2
95.01374	0.6
97.02946	0.3
99.00875	0.7
99.08143	0.3
101.02441	5.5
103.04010	0.4
111.00868	0.4
113.02465	2.1
119.03500	0.4
125.02421	0.5
129.01929	0.3
131.07451	0.2
142.96916	0.2
143.10817	0.5
159.02963	0.5
161.04594	0.3
183.13901	0.8
209.11754	0.3
245.17554	0.4
251.20197	0.3
269.21371	0.4
285.24387	1.3
287.07538	0.3
313.23727	0.3
327.25363	0.3
331.24878	3.8
332.25232	0.3
447.29327	0.3
475.28912	1.6
493.30197	100.0
494.30515	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	493.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.99228	0.2
57.03449	1.9
58.00604	0.3
58.77436	0.2
59.01383	11.2
61.98821	0.6
66.78418	0.2
69.03458	0.3
71.01386	7.3
72.99312	0.5
73.02950	1.2
74.31666	0.2
79.26711	0.2
83.01388	1.1
85.02950	2.9
87.00872	0.4
89.02445	3.6
95.01372	0.6
97.27103	0.2
98.20695	0.4
99.00887	0.4
101.02449	5.4
111.00864	0.3
113.02461	2.6
119.03506	1.4
120.99687	0.3
124.20075	0.2
125.02438	0.2
125.09730	0.4
139.11339	0.3
143.10817	0.2
155.14346	0.4
161.04532	0.2
161.22562	0.2
181.15994	0.4
183.13890	2.5
195.17374	0.2
209.19127	1.6
210.19505	0.2
251.20209	0.9
267.23361	1.1
269.21298	0.3
285.24435	0.7
305.98096	0.2
313.23853	14.8
314.24091	0.3
331.24905	4.0
373.25958	0.2
426.00708	0.2
433.28339	0.4
439.12405	0.2
451.23395	0.3
458.90182	0.2
475.29126	0.8
493.30200	100.0
494.23605	0.4
494.30502	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	493.2293
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
51.77887	0.6
55.01844	0.9
57.03455	5.0
59.01379	83.5
61.98833	7.4
69.03453	0.9
69.16245	3.0
69.16669	4.1
71.01382	16.6
71.04977	1.0
72.99296	1.5
73.02560	1.1
73.02944	13.5
75.00867	0.9
83.01379	3.8
85.02457	1.1
85.02946	17.7
87.00867	3.0
89.02438	4.8
95.01389	1.9
95.16446	0.7
96.95971	1.6
97.93618	0.7
99.00860	1.7
99.04501	1.6
101.01807	1.0
101.02440	15.9
101.40810	0.7
103.04008	18.7
103.09367	0.8
111.00878	1.1
113.01849	0.8
113.02452	8.9
119.03479	2.0
125.02427	1.2
129.01923	0.8
138.98857	0.7
143.03462	1.5
145.08640	1.8
159.02989	0.8
161.04483	2.4
165.12819	4.1
169.12291	1.8
171.10210	1.2
183.13895	31.2
184.14139	0.9
185.11812	46.5
186.12141	0.9
197.15404	1.0
199.13335	3.4
209.11729	1.8
227.12878	10.1
245.13934	41.6
246.14243	0.9
265.09348	3.8
269.13956	1.0
271.19034	1.6
287.14996	9.9
289.20020	2.1
289.23392	1.4
347.16949	3.9
365.66901	0.9
389.18307	0.9
393.21567	1.0
407.18799	4.2
419.26428	1.0
431.22723	1.0
433.20792	2.3
433.28140	21.1
449.23004	5.2
451.29437	10.9
462.82028	0.8
475.21631	2.2
493.22662	100.0
494.23264	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.6
57.03449	100.0
58.00591	1.5
58.03763	1.2
59.01380	97.5
60.99309	1.9
61.98830	18.4
68.99551	1.6
69.27923	11.6
71.01381	35.6
72.99295	2.2
73.02943	12.6
75.00861	1.6
76.64296	1.2
81.03485	2.3
83.00948	1.9
83.01376	10.0
84.02161	1.9
85.02950	86.2
87.00876	4.8
87.04518	2.3
88.98795	11.3
89.02439	24.7
95.01397	1.8
97.06567	1.8
99.00880	2.3
99.04519	72.6
101.02445	41.6
102.45643	1.2
103.04018	1.7
111.00889	8.5
112.98564	3.2
113.02442	19.6
113.06092	1.5
115.03998	2.2
119.03512	8.6
121.02957	26.3
123.04535	2.6
125.02443	32.7
129.01947	35.1
131.03508	2.0
133.06596	3.1
134.03754	1.8
141.05473	1.5
143.03499	5.3
147.02997	4.9
149.04512	1.4
153.01921	2.7
153.05568	8.1
161.04549	9.8
161.05928	2.8
168.04292	3.8
173.00870	6.7
179.05621	3.9
183.06635	5.0
187.13388	9.0
189.05571	3.6
191.01994	4.5
193.05014	2.8
197.04504	15.9
251.05495	6.1
265.07001	2.9
265.09467	1.9
269.08398	1.4
269.17172	1.5
271.15408	2.4
289.11069	1.5
295.04465	1.3
313.05643	2.7
313.16617	1.9
327.07156	3.7
331.13586	2.2
331.17569	22.1
331.64322	1.4
334.66434	1.3
349.18652	49.5
350.19095	2.3
371.06232	2.0
389.21725	3.1
391.19730	15.6
431.22968	2.3
433.24756	1.8
493.23407	37.0
494.23013	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	493.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67537	1.0
54.62402	1.0
55.01871	3.0
57.03448	14.7
59.01379	24.2
61.98837	6.0
69.43037	4.9
69.43464	2.9
71.01382	7.8
72.99309	1.5
73.02925	1.9
76.11648	1.0
81.59383	1.0
83.01392	6.0
84.02175	1.2
85.02950	100.0
86.03294	2.3
87.00887	1.5
89.02419	2.4
90.21393	1.0
101.02438	3.8
103.04016	1.5
111.00872	15.0
120.99688	1.2
121.02959	33.7
129.01939	47.3
133.06549	1.5
135.04503	2.3
147.02995	10.5
153.05563	5.4
153.99449	1.2
154.99916	1.3
161.06049	2.4
173.00912	14.5
189.05579	3.5
191.01939	2.3
194.44958	1.1
197.04565	11.2
221.38449	1.1
237.07732	1.5
251.05573	2.7
265.06989	5.2
295.04523	3.8
313.05634	3.6
327.07184	9.2
433.24252	2.8
475.21686	1.3
493.16394	1.6
493.22003	1.6
493.26361	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.1
56.42345	0.7
57.03453	14.3
59.01380	5.4
61.98829	1.3
62.22239	0.6
68.99812	0.6
69.42446	4.9
71.01385	3.4
72.99310	1.5
73.02966	0.6
83.01394	5.0
83.05016	0.7
84.02176	2.0
85.02953	100.0
86.03268	1.1
87.00883	2.1
87.66349	0.6
89.00357	1.0
98.20513	1.5
101.02467	1.3
111.00891	13.5
121.02963	27.2
127.00384	0.9
129.01952	26.0
131.05049	0.8
133.06595	2.1
135.04503	1.1
138.03221	1.4
138.08960	0.6
139.00383	1.5
147.03032	5.0
153.05588	6.8
161.06065	3.3
173.00877	8.4
182.02226	1.8
189.05562	4.9
191.02003	3.2
197.04559	21.5
222.05313	0.9
237.07556	0.9
238.63762	0.7
245.13936	1.4
251.05617	5.5
265.07150	6.0
287.23761	0.7
295.04593	2.7
313.05627	1.8
327.07275	5.2
331.13016	3.3
371.06387	1.9
384.50583	0.6
433.24500	0.9
493.22687	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	493.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24584	1.0
54.00614	0.9
55.01859	2.6
57.03444	15.4
59.01375	8.4
61.11513	0.9
61.98816	1.2
67.01908	0.9
69.33743	3.2
69.34167	3.6
71.01374	3.7
72.99294	2.2
73.02939	1.8
83.01385	4.2
84.02142	1.6
85.02950	100.0
86.03280	1.2
87.00888	1.7
90.58225	0.9
93.58215	0.8
96.01801	0.9
98.20638	2.3
101.02424	1.6
111.00881	12.6
113.02370	0.9
120.99640	2.8
121.02956	33.4
123.00861	1.4
129.01942	47.5
133.06580	2.7
135.04475	1.7
147.02992	6.2
153.05566	6.8
161.06082	1.6
170.34312	0.9
170.94112	1.0
173.00937	11.0
182.02203	2.3
189.05563	4.3
191.01913	3.9
197.04541	18.1
211.06110	1.0
251.05569	4.7
265.07214	5.1
271.19025	2.3
295.04523	2.8
313.05545	3.5
313.08859	1.0
327.07224	6.6
371.06091	2.1
433.24722	1.1
493.26758	5.4
503.09091	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.7
57.03211	0.9
57.03451	13.3
59.01363	2.8
65.55831	0.7
70.54922	2.3
71.01368	3.9
72.99296	1.7
73.02921	1.1
83.01376	6.3
84.02183	1.3
85.02946	100.0
87.00866	1.9
98.20663	1.0
101.02422	1.0
111.00878	13.6
121.02956	35.7
123.00833	0.9
129.01944	44.8
132.25383	0.9
133.06517	2.2
135.04483	1.3
138.03197	1.4
139.00383	1.5
139.04010	1.5
139.73131	0.8
141.44766	0.8
147.02963	7.2
153.05597	4.8
161.06042	2.1
173.00905	12.0
182.02274	1.4
185.49113	1.0
189.05594	3.0
191.01924	2.6
197.02884	1.3
197.04530	14.8
222.05382	1.1
237.07614	0.8
241.62273	0.8
251.05634	5.3
265.07117	7.8
295.04575	5.7
309.06094	1.1
313.05597	3.4
327.07211	8.2
371.06027	1.3
479.69394	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62746	0.6
55.01877	2.6
57.03445	15.3
59.01376	99.4
60.24856	0.6
61.98826	1.2
67.01862	0.6
69.49622	3.9
71.01383	6.4
72.99310	2.3
73.02953	2.3
83.01385	5.9
84.02165	1.3
85.02946	100.0
86.03269	1.0
87.00861	2.1
87.01384	0.6
89.00316	0.7
89.02435	1.2
99.04492	1.2
101.02428	3.0
111.00870	12.3
113.02438	1.7
115.16128	0.7
119.03523	0.7
120.99608	0.7
121.02953	30.2
122.03260	0.7
123.00884	1.3
129.01939	28.7
131.05019	0.9
133.06599	3.4
135.04486	1.9
138.03224	0.9
139.00328	1.2
143.68027	0.6
147.03017	5.5
153.05559	6.5
159.04436	0.8
161.04628	0.7
161.06012	2.4
173.00893	10.6
179.03622	0.9
182.02151	1.1
189.05573	5.2
191.01881	2.6
197.04549	17.4
209.08188	0.7
233.04393	0.8
251.05588	6.0
265.07034	4.4
273.00244	0.7
295.04340	1.8
313.05481	2.4
322.10129	0.8
327.07269	5.1
371.05945	1.7
373.22342	3.3
391.23520	4.7
433.18494	0.6
433.24353	10.6
434.24731	0.8
459.93149	0.9
493.09811	1.8
504.74411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53121	0.7
53.75986	0.8
55.01868	3.1
57.03447	17.0
57.90411	0.7
59.01385	5.9
61.98833	1.5
66.41058	0.7
66.58685	0.7
67.01873	0.8
69.45218	5.6
70.86147	0.8
71.01389	4.6
72.99300	2.8
73.02940	1.3
75.00884	1.4
83.01382	4.8
84.02163	1.5
85.02950	100.0
86.03293	1.0
87.00866	0.9
89.00346	1.0
89.02473	0.8
96.95930	1.0
99.00826	0.8
101.02439	2.3
106.00606	1.4
111.00884	15.9
113.02415	0.8
117.81223	0.7
121.02953	38.5
123.00886	0.9
125.02531	1.0
129.01941	59.7
130.02232	0.8
130.38855	0.9
133.06624	3.6
135.04523	1.3
138.03276	0.8
139.00371	1.1
147.03014	4.0
153.05571	11.8
161.06097	3.7
173.00909	13.3
182.02156	1.8
189.05557	7.6
191.01974	3.9
193.05234	0.8
197.04544	30.4
198.05048	1.0
251.05594	12.1
251.68546	0.8
265.07007	3.5
295.04605	2.7
313.05719	2.7
327.07214	3.3
370.91125	0.9
371.06332	2.0
433.24365	0.8
489.37335	0.8
493.10272	0.9
493.17203	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	492.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.1
59.01380	6.4
61.98830	100.0
62.05672	0.3
70.17291	0.4
70.18715	0.3
71.01391	3.0
71.47803	0.4
72.99318	0.4
73.02964	1.0
85.02954	6.9
87.00925	0.4
89.02422	1.5
89.83917	0.4
98.20283	0.5
99.00866	0.6
99.04526	0.4
101.02454	1.9
103.04043	0.5
111.00887	0.6
111.04548	0.4
113.02466	1.3
119.03487	0.9
120.99644	0.4
121.02945	1.7
129.01962	1.5
143.03502	0.6
149.06068	0.4
153.05658	0.4
161.04489	0.4
167.07425	0.3
173.00867	0.6
174.01640	0.6
179.05562	0.5
189.05614	0.6
197.04572	1.0
205.12378	1.2
220.61234	0.3
225.15141	0.4
226.15335	0.9
249.11391	1.8
265.09476	0.4
287.04056	0.3
288.04938	0.4
312.25064	0.3
327.07159	0.5
354.41232	0.3
406.21854	1.1
429.18024	1.4
447.22122	0.7
448.22610	5.5
475.22025	0.4
491.21234	0.4
492.19647	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	491.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03451	2.4
58.00602	0.8
58.63532	0.5
59.01379	100.0
60.01727	1.7
61.98836	4.3
69.03445	1.6
69.17050	5.6
71.01383	18.0
72.99314	2.7
73.02948	6.3
75.00875	0.7
83.01379	4.6
83.05018	1.9
85.02950	12.5
86.00121	0.7
87.00884	2.5
88.98800	0.9
89.02451	3.9
90.64864	0.6
93.03469	1.1
95.01399	1.0
95.05050	1.1
96.96018	5.8
97.02968	1.2
99.00879	4.7
99.04541	2.1
101.02438	12.5
103.04014	1.0
107.05052	1.0
111.00896	2.8
111.04502	1.4
113.02465	8.4
114.72716	0.6
119.03487	1.0
119.05042	1.3
120.99692	0.9
121.02951	1.9
121.06620	1.7
123.04534	2.8
124.01698	1.1
125.02453	2.3
127.03971	0.6
129.01982	1.1
135.04530	1.2
137.06094	1.0
143.03549	1.5
149.06076	1.7
159.03143	1.1
161.04543	3.2
161.05862	0.7
163.07674	0.6
165.05620	0.8
187.07500	0.8
187.11324	1.7
193.05119	2.4
203.07184	1.0
205.08699	1.2
211.06143	1.1
213.18854	0.6
215.16568	1.0
243.16005	0.8
267.19827	0.7
269.21207	0.7
287.22342	4.5
311.22159	0.9
359.20645	5.1
360.20764	0.9
377.21747	8.7
377.25772	0.8
431.26541	34.8
432.27017	1.6
448.18988	1.3
449.27545	23.0
450.28143	1.1
459.20493	0.7
491.19431	17.8
491.28601	18.4
492.19284	0.8
492.28943	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36043	0.6
54.70828	0.5
57.03447	1.9
59.01381	100.0
61.98832	9.4
63.02407	0.8
65.00322	5.0
70.72311	1.4
71.01393	6.2
73.02946	3.5
79.77338	0.6
83.01400	3.6
83.05033	1.2
85.02941	5.1
87.00886	0.8
87.15339	0.6
89.02460	2.8
89.81544	0.7
96.96031	2.4
99.00880	1.1
101.02436	5.8
103.04028	2.0
107.01398	8.8
109.02974	0.8
113.02464	3.8
114.98592	0.6
119.03528	1.3
125.02458	3.3
134.03767	0.8
135.04526	40.0
143.03548	0.8
151.00369	55.1
152.00728	1.0
161.04616	1.9
164.04823	2.8
165.05185	2.3
169.08788	1.1
176.57878	0.6
179.05818	1.1
179.07079	3.9
180.07489	3.9
196.00200	0.6
225.11330	1.4
227.16600	0.9
243.12410	2.7
265.09439	1.8
287.05609	45.3
288.06204	1.6
318.43314	0.7
347.17154	1.2
371.20712	17.9
384.14026	0.8
389.21976	6.3
401.13876	0.8
431.22787	13.4
431.27933	1.0
491.12018	5.4
491.20609	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	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66039	0.6
54.69900	0.7
55.01891	0.7
57.03445	2.9
59.01379	100.0
60.01709	1.6
61.01809	1.1
61.98830	23.8
62.67884	0.6
65.60497	0.6
69.72923	2.2
71.01378	10.2
71.81931	0.6
73.02957	5.2
79.95736	0.7
83.01383	1.6
85.02952	5.4
87.00884	0.9
88.98806	1.0
89.02444	5.2
91.48582	0.6
95.01382	1.5
96.96013	6.6
98.19983	1.0
99.00859	0.8
99.04536	3.0
99.88220	0.7
101.02438	5.8
103.04025	2.5
113.02425	4.5
119.03497	2.4
120.99643	3.9
125.02467	1.9
135.04500	1.7
139.11292	0.8
151.00450	1.3
161.04564	2.1
165.05627	1.1
167.03355	0.6
175.02264	0.7
179.05687	0.9
181.12358	1.8
183.10175	0.9
191.02014	0.7
194.10092	0.7
199.07675	0.7
225.11392	2.7
225.15068	1.8
243.12372	4.8
243.16039	1.4
249.11517	1.0
269.17566	0.9
287.05707	2.4
287.12909	4.4
288.13239	0.7
347.17300	1.4
353.19824	1.3
371.20837	4.1
379.85843	0.8
387.20358	1.6
389.21753	0.9
401.21582	1.0
405.21228	1.2
413.21936	3.1
429.17300	1.3
431.22745	4.8
447.22443	8.3
449.23721	1.8
491.26181	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	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.2
59.01379	100.0
60.01708	0.8
61.98816	2.4
69.50311	3.5
71.01380	6.7
73.02950	5.4
83.01399	1.4
85.02950	3.6
87.00899	0.7
89.02451	4.2
95.01370	0.6
96.96030	1.9
98.19991	0.9
98.20634	0.7
101.02430	5.9
101.05444	0.5
108.98374	0.6
112.49895	0.5
113.02449	5.6
114.98619	0.5
119.03528	1.5
125.09715	0.7
135.04570	1.5
143.03511	0.8
151.00444	1.5
160.05382	1.5
161.04602	1.8
175.07660	1.1
175.11299	0.5
181.12288	2.4
207.10367	0.5
225.11304	10.1
225.14995	1.1
227.16595	1.1
243.16039	1.9
287.05624	1.3
329.13864	5.0
353.19727	0.5
371.20700	7.0
387.20401	0.7
389.21857	3.0
405.21628	0.7
431.22852	11.9
432.22968	0.6
447.23438	3.8
491.25613	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	491.2135
Annotation	Jasminoside H
Peak:m/z	Relative Intensity
57.03445	4.4
59.01380	27.4
61.98830	1.0
71.01371	3.8
71.02728	1.0
71.05010	0.7
73.02942	3.1
82.17934	0.5
83.01404	0.6
84.81987	0.4
85.02949	6.4
87.04509	1.1
89.02425	0.6
97.03037	0.4
98.20609	0.5
99.04516	0.9
101.02440	2.4
103.04008	16.1
105.22045	0.5
110.30147	0.4
113.02478	0.9
124.07642	0.7
139.11290	15.6
163.11310	0.7
165.09131	1.1
169.12315	1.2
179.04872	0.5
179.10728	1.0
181.10832	0.9
181.12334	8.4
183.10251	20.2
184.10645	0.9
195.13939	0.7
197.11797	1.5
199.13374	4.3
225.11313	13.1
226.11613	0.7
243.12358	35.3
244.12700	0.9
247.08267	0.9
265.09314	1.3
267.12253	0.8
285.13437	12.6
308.42508	0.6
315.14496	1.1
345.15503	4.4
347.16934	1.1
387.16562	0.8
405.17627	5.8
429.21255	0.9
431.19009	5.2
473.20514	2.7
491.21313	100.0
492.21674	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	491.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
56.73414	0.4
57.03445	0.9
58.00575	0.6
59.01377	34.1
60.99302	1.0
61.98826	19.5
69.36434	4.3
70.53694	0.4
70.73906	0.5
71.01009	1.0
71.01376	12.3
72.99310	0.8
73.02941	14.7
73.48566	0.4
81.03465	0.5
83.01371	3.0
85.02943	3.5
87.00885	0.6
88.98820	0.8
89.02441	3.1
96.96021	0.9
99.00847	1.1
101.02443	12.3
103.03994	1.4
112.85084	0.5
113.02448	3.1
119.03471	1.1
123.04510	1.4
125.02354	0.6
131.03516	0.5
131.45433	0.5
137.05959	0.6
143.03505	0.5
151.07594	0.8
161.04535	0.8
179.14389	0.8
181.12276	0.9
199.13353	0.5
205.20515	0.5
207.13902	2.1
211.13420	1.1
225.11394	1.1
225.14955	18.9
226.15257	1.2
243.12317	1.5
243.16011	1.2
254.08456	0.5
255.02852	0.7
284.03149	0.7
285.03806	0.6
286.03769	1.2
287.12909	1.8
369.18777	0.6
387.20200	2.5
405.21304	20.3
406.21646	0.9
431.22946	0.7
447.22324	100.0
448.22610	5.8
491.11185	1.9
491.20367	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	491.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32282	0.7
59.01379	70.6
60.01745	1.0
61.98819	3.8
70.72028	2.3
70.85651	0.8
71.01382	15.6
72.74973	0.8
73.02946	17.3
73.88089	0.8
83.01386	4.4
85.02946	3.0
87.00833	0.9
89.02445	3.5
96.96005	2.0
101.02439	14.0
107.01402	1.2
110.60005	0.9
113.02435	4.7
119.03511	1.0
125.02472	1.3
135.04515	6.0
143.03448	1.1
151.00380	7.8
160.83095	0.8
161.04539	1.5
175.07570	0.7
179.14391	2.0
185.13580	0.8
199.13464	0.9
207.13870	2.4
225.11371	2.0
225.14934	21.8
243.12206	1.3
243.15933	1.4
244.48528	0.9
287.05609	11.3
329.13943	1.7
330.80966	0.9
371.20706	2.5
387.20215	2.7
405.21307	12.7
429.21252	1.3
431.22748	4.8
434.09567	1.0
447.22357	100.0
448.22729	6.4
491.24661	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	491.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90333	1.2
57.03440	3.8
59.01378	100.0
61.98823	4.9
69.96973	4.0
71.01378	22.4
72.99299	1.8
73.02942	8.1
83.01396	4.6
83.05059	1.4
85.02951	13.2
87.00875	3.2
88.98814	1.3
89.02440	11.2
95.01385	1.9
96.96007	2.7
98.19964	2.0
98.20528	2.9
99.00902	1.6
101.02432	13.2
101.06088	1.6
103.04000	1.9
113.02442	15.0
116.92852	4.2
119.03527	6.9
143.03520	3.1
161.04549	4.6
163.11186	1.6
179.05576	2.3
179.54131	1.4
183.43451	1.2
191.01944	2.6
199.11673	1.2
215.63063	1.2
225.14970	3.1
286.28595	1.3
315.14429	1.3
317.50137	1.2
369.19101	5.6
387.20187	25.8
405.21329	11.3
415.04059	1.4
431.22946	7.7
447.22318	16.1
491.21213	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	491.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42474	0.6
57.03444	2.8
59.01380	100.0
60.01707	1.1
61.98833	4.5
71.01382	13.5
72.93436	0.6
72.99319	1.0
73.02950	6.4
75.00821	0.6
79.95758	0.6
83.01402	2.3
85.02953	7.8
87.00883	1.9
88.98827	1.6
89.02448	6.3
95.01397	1.5
96.96016	3.4
99.00880	1.8
99.04530	2.4
101.02439	11.1
103.04043	1.2
113.02448	7.7
119.03509	1.6
122.97500	0.6
123.04496	0.7
125.02464	2.4
129.01909	1.1
129.63127	0.6
131.03448	0.8
135.04543	1.1
143.03566	1.1
149.02499	0.9
161.04573	3.7
164.79836	0.6
179.05699	1.8
191.01999	0.9
193.17282	0.7
195.06728	1.0
197.15515	1.8
225.15033	1.8
243.16078	2.2
257.08203	0.9
260.03595	1.3
265.09271	1.4
269.17419	0.8
269.89453	0.7
329.10913	0.8
343.97348	0.9
369.19360	0.7
387.20233	6.3
405.21274	19.6
424.02847	0.7
431.22940	12.5
432.23157	0.9
447.22366	71.6
448.22876	4.2
491.21408	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	491.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03431	1.5
58.00597	0.8
59.01377	36.7
61.98829	2.5
65.49070	0.5
67.40351	0.5
69.03432	0.8
69.25831	2.0
69.26253	2.9
71.01376	14.6
71.05000	0.6
72.99305	1.1
73.02940	6.8
83.01371	2.7
85.02944	4.4
87.00882	2.5
87.04526	0.7
89.02444	5.5
93.03403	0.6
95.01389	0.8
96.96032	0.6
97.02927	0.9
99.00881	0.9
99.04510	0.6
101.02443	10.0
111.00838	0.5
111.08179	1.1
113.02444	5.2
119.03540	0.9
119.05006	1.1
125.02435	1.2
125.09688	1.4
127.11191	0.6
137.02437	2.1
149.84529	0.5
161.04530	1.3
171.10255	10.7
181.12444	0.5
181.15987	0.8
187.09787	1.0
199.13266	0.6
209.11772	0.8
225.14955	6.8
243.06644	1.1
243.12268	1.6
243.16006	12.8
257.17477	0.6
265.09290	0.7
267.15967	0.6
269.17508	1.1
329.23407	1.0
387.20178	8.4
388.20914	0.7
405.21274	37.2
406.21628	1.8
447.22314	100.0
448.22571	6.0
473.23654	1.6
491.21500	2.2
491.28159	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71980	0.3
57.03423	0.5
59.01377	3.6
60.99305	13.0
71.01380	1.3
71.52947	0.8
73.02940	0.5
74.99043	0.3
77.78963	0.3
81.03458	0.7
83.01398	1.1
85.02950	1.0
87.00875	0.7
88.00404	0.4
88.98806	100.0
89.02442	7.8
89.99142	0.7
95.05038	0.4
96.96005	1.3
101.02433	0.9
109.02930	0.5
113.02457	0.5
117.97305	0.7
121.02945	0.6
123.04533	1.4
125.02391	0.8
135.04532	1.0
151.03960	0.5
161.04543	0.5
161.06029	0.8
165.05605	0.8
167.03505	2.6
179.03503	0.9
180.04242	0.4
181.04968	0.5
193.05148	0.5
195.06569	0.8
209.04529	3.5
221.04562	1.1
239.05603	1.7
251.05586	10.7
252.06026	0.4
263.05267	0.4
281.06647	7.6
311.07770	1.7
317.79129	0.4
345.37128	0.4
353.08676	0.5
371.09686	2.6
431.22897	1.1
491.13733	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.1
60.99313	13.1
61.96758	1.2
63.35004	0.7
71.01381	2.1
71.29905	1.7
81.03459	3.8
83.01399	4.2
85.02944	1.7
88.00407	1.4
88.98808	100.0
89.02448	9.0
93.03458	0.8
95.05026	3.0
96.96028	1.5
97.02948	1.2
98.20227	1.2
99.00890	0.8
101.02448	1.0
109.02986	1.7
111.04517	1.1
113.02452	1.7
121.02922	1.2
123.04528	6.9
125.02470	4.7
135.04539	2.7
137.02434	1.0
137.06126	3.9
139.04015	4.0
149.02484	0.9
149.06049	1.2
150.03200	4.0
153.05577	1.2
161.06097	2.1
163.04042	1.6
165.01907	1.0
165.05600	7.0
167.03497	16.8
176.45949	0.8
177.05556	2.5
178.50642	0.8
179.03456	2.5
180.04199	1.1
181.05064	1.5
189.05551	1.5
193.05028	1.9
195.06581	3.9
197.04564	1.5
200.95177	0.7
209.04552	25.1
221.04529	5.6
235.06128	1.4
239.05640	7.0
251.05608	57.2
252.05925	2.0
263.05612	3.2
270.05042	1.0
281.06665	36.3
282.07071	1.3
293.06641	2.7
311.07727	9.9
353.08688	3.4
371.09860	11.3
383.09778	2.3
431.23126	1.1
453.99438	0.9
491.13989	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	491.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02647	0.4
59.01374	5.0
63.28827	0.4
71.01385	3.1
71.51758	0.5
72.99309	0.6
73.02943	5.5
75.00876	4.8
85.02945	0.6
85.18983	0.5
87.00880	1.6
89.02443	14.2
101.02479	0.6
101.87227	0.4
103.03969	2.0
127.02173	0.5
130.99783	0.6
131.03497	7.6
141.63762	0.4
147.51646	0.4
149.04555	100.0
150.04903	1.2
152.64865	0.4
161.23657	0.4
213.31615	0.4
324.05145	0.5
365.30862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1195
Annotation	Okanin 4'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03452	1.9
57.03687	0.3
59.01378	25.2
59.24532	0.4
61.82869	0.3
61.98831	6.2
63.02406	1.4
65.00321	9.5
69.03471	0.5
69.28253	1.9
69.28673	1.0
71.01382	6.7
71.05000	0.5
72.99309	1.2
73.02944	9.6
74.99103	0.5
75.00871	1.0
76.95695	0.4
77.03573	0.3
81.03479	0.4
83.01382	5.8
85.02946	5.2
87.00869	0.9
87.04498	0.4
89.02440	3.4
95.01405	0.5
96.96021	1.1
97.02972	0.6
98.19933	0.7
99.00868	2.5
99.04522	0.5
101.02444	7.2
103.04005	6.5
106.06629	0.4
107.01387	19.3
108.48341	0.3
109.02936	1.7
111.00869	0.5
113.02444	3.2
119.03496	1.5
125.02443	4.2
125.09737	1.5
133.02972	0.4
134.03725	1.2
135.04521	68.0
136.01637	0.4
136.04837	1.0
137.02496	0.5
139.04053	0.6
143.03464	0.5
149.04556	0.7
151.00363	100.0
152.00694	2.0
159.04482	0.6
161.02440	1.5
161.04536	1.6
163.11272	1.1
164.01132	0.5
165.01952	0.5
169.01459	0.8
169.08611	0.4
175.04025	0.6
177.01891	0.9
181.12329	3.7
189.12807	0.4
199.07707	0.5
199.13419	1.4
207.06604	0.5
207.10252	2.6
221.06807	0.5
225.11298	6.8
243.12329	10.1
257.13977	0.6
265.09341	3.1
267.12332	1.4
269.04446	0.4
269.17535	0.6
285.13440	1.5
287.05594	67.1
288.05930	3.0
337.88705	0.4
339.10791	1.3
343.91150	0.4
345.15472	1.2
347.17014	2.7
371.11682	0.4
371.24414	0.4
375.27490	0.9
389.18005	0.9
405.17401	0.9
428.26465	0.8
431.09946	1.1
431.22623	1.5
447.22272	0.7
449.10971	1.0
491.11960	24.8
491.21326	25.7
492.11963	1.9
492.21561	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.6
59.01378	36.0
59.86674	0.7
60.01704	0.6
61.98830	90.9
65.00320	2.5
71.01386	5.4
71.54462	0.7
71.54845	0.9
72.99277	0.9
73.02950	2.3
78.95804	0.7
81.59509	0.7
83.01378	3.2
83.05016	0.7
85.02956	6.0
86.03281	1.2
87.00897	1.1
89.02435	1.7
99.00872	1.2
101.02443	3.9
103.04016	3.5
104.04319	0.8
107.01398	6.7
109.02856	1.0
113.02438	2.3
119.03514	0.8
120.99676	0.8
121.02966	1.2
125.02426	2.5
129.01962	1.6
134.03687	0.9
135.04533	22.8
143.03484	0.8
151.00363	34.5
161.04562	0.9
163.04033	1.5
164.04785	79.3
165.05096	1.5
174.32407	0.7
179.07129	100.0
180.07446	2.4
191.93498	0.8
195.51788	0.9
202.08025	0.7
212.26118	0.8
216.17470	0.7
241.10851	0.7
242.11212	0.9
243.12343	1.5
265.09338	2.1
266.09497	1.2
286.04471	1.3
287.05600	35.3
371.20813	2.5
383.13489	12.3
431.22678	1.8
444.28326	0.7
475.20581	0.8
490.19812	7.0
490.26266	0.7
491.12076	5.2
491.21613	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	490.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.6
58.00593	1.1
59.01074	1.3
59.01378	38.5
61.98830	100.0
63.67681	0.6
69.03464	1.4
71.01390	11.2
71.05025	1.2
72.99310	2.1
73.02959	3.0
75.00876	1.3
83.01421	1.5
83.05013	1.5
85.02947	13.5
86.03293	1.3
87.00882	2.1
87.04512	3.4
89.02441	4.5
89.90434	0.6
96.96028	1.1
97.02953	1.3
99.00895	3.1
99.04535	1.3
101.02440	5.9
103.04010	9.7
109.02977	0.9
111.00898	0.8
113.02438	3.7
117.05585	0.8
119.03512	1.1
119.05012	2.7
120.99605	0.7
121.02955	26.8
121.06531	0.9
125.02485	0.9
129.01953	1.0
131.08653	1.3
135.04480	2.0
137.43361	0.7
147.03008	0.6
147.08124	1.3
149.09706	14.3
150.10062	2.8
151.04008	0.9
161.04539	1.5
161.66980	0.7
166.05281	0.7
178.02695	1.2
179.03484	26.2
181.12433	1.1
193.05066	10.2
199.00749	0.9
207.10210	2.2
209.11864	2.5
220.96909	0.8
225.11299	6.9
243.12384	10.0
265.09378	1.3
267.12216	1.3
267.16104	1.1
270.62912	0.8
279.16003	2.4
280.16385	0.9
285.13345	1.0
297.97330	0.7
306.07547	1.1
321.22345	1.0
335.24005	1.2
337.25327	0.8
340.23859	0.8
353.25027	1.0
357.24509	1.0
381.24521	0.8
383.25858	2.0
384.26242	2.5
399.25580	0.9
400.25690	1.1
401.27213	4.0
402.27301	2.4
427.12390	41.6
428.12857	1.6
429.26370	1.6
430.26547	1.0
431.26941	4.3
437.81726	0.7
447.27597	2.9
448.27802	2.5
449.27466	3.1
489.28552	88.0
490.22147	4.6
490.28897	66.3
491.21463	15.8
491.28751	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12851	0.3
56.40654	0.3
57.03441	1.4
59.01377	100.0
59.67263	0.4
61.98826	0.5
62.17615	0.4
64.04704	0.3
71.01374	3.0
73.02940	2.0
83.01385	0.7
85.02950	2.6
89.02448	1.6
93.03458	1.4
99.00912	0.4
99.04540	0.5
101.02444	2.7
103.04029	2.5
107.01378	1.6
109.02943	0.4
113.02460	1.2
117.19310	0.4
119.03461	0.5
121.06604	0.5
131.05026	0.4
132.02148	0.9
135.00890	1.4
138.55544	0.4
143.32475	0.4
151.00374	1.1
158.36578	0.4
159.04515	0.9
161.04568	0.4
163.00432	1.9
167.05067	0.5
171.04454	0.5
183.04527	0.9
184.61836	0.3
185.06052	0.9
187.03976	1.4
195.04292	0.4
195.10274	0.4
196.76581	0.4
197.11855	0.6
199.03989	0.7
211.03954	1.7
213.05592	1.1
213.13545	0.4
227.03481	20.2
228.03984	1.2
229.05035	6.5
239.03452	1.1
240.04135	0.5
241.04976	0.8
241.10692	0.6
255.02971	43.2
256.03619	3.1
257.04523	3.9
265.09247	2.9
267.02921	0.6
267.09735	0.4
269.04391	0.5
284.03250	55.8
285.04016	67.8
286.04358	2.3
297.04190	0.5
327.05060	0.6
345.15530	1.2
387.20367	0.9
427.19586	0.5
429.21207	1.4
435.05786	0.4
445.20129	1.2
489.10394	31.4
489.19427	4.8
490.10587	1.9
490.19421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78535	0.3
55.01883	0.4
56.81359	0.3
57.03438	0.6
59.01376	100.0
60.01702	0.6
61.98833	1.4
69.03502	0.4
69.56027	0.6
69.56419	2.2
71.01383	3.9
73.02935	2.0
75.37851	0.4
75.75305	0.3
77.28006	0.3
83.01398	0.6
85.02952	2.2
89.02457	2.4
96.95987	0.6
100.49518	0.3
101.02422	3.2
103.03954	0.4
113.02417	2.0
115.49409	0.4
119.03502	1.4
161.04553	0.9
179.05554	0.5
195.13980	0.4
213.86185	0.4
267.16083	1.5
267.62650	0.4
324.98087	0.3
349.22205	0.5
363.57068	0.4
369.19125	5.4
370.19717	0.7
387.20169	2.6
429.21237	4.5
489.23666	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2127
Annotation	Justin C
Peak:m/z	Relative Intensity
53.45621	0.2
57.03436	0.3
59.01379	6.4
61.98822	0.2
69.03442	0.2
71.01383	1.5
71.53864	0.3
72.99272	0.3
73.02930	0.4
75.00876	0.8
79.05551	0.2
81.03466	0.3
83.01385	0.3
83.05027	0.8
85.02464	0.3
85.02952	4.8
87.00852	0.3
93.03459	0.4
95.04997	0.4
97.02933	0.5
97.06559	0.3
99.00889	2.4
99.04516	0.5
101.02438	0.3
107.05020	0.7
109.02941	0.2
109.06569	0.6
111.00899	0.2
111.04523	1.6
111.08144	0.8
113.02422	0.5
119.04903	0.2
119.08704	0.2
121.02909	0.5
121.06608	0.4
123.04488	0.5
123.08145	0.2
125.02483	0.3
125.06055	0.2
133.06581	0.3
135.04482	0.4
135.08159	0.2
137.06053	0.6
139.04015	1.1
147.08102	0.2
149.06094	0.3
151.07643	0.2
155.08617	0.2
161.06206	0.2
161.07817	0.2
161.09601	0.2
163.07622	0.4
165.12794	0.3
171.11693	0.2
173.06042	0.2
173.09679	0.2
174.06760	0.2
175.07594	0.3
175.11119	0.2
183.13841	0.5
185.09717	0.4
191.10725	0.3
193.04951	0.2
199.07588	0.4
199.11208	0.3
211.06085	0.2
215.10797	0.2
217.08757	0.2
217.12349	0.2
227.10812	0.2
227.12914	0.5
229.12373	0.3
235.09584	0.2
243.10075	0.2
257.11841	0.2
265.39151	0.2
266.39011	0.2
285.20807	0.2
305.13928	0.4
313.23862	0.3
349.16513	3.4
350.17001	0.3
373.25998	0.4
403.23874	0.4
415.80243	0.2
429.25034	1.2
445.18564	2.4
447.26093	0.3
469.18274	0.4
471.20273	0.4
471.26193	0.8
487.19638	0.3
489.21243	100.0
490.21576	7.7
490.27463	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.8
59.01382	78.3
61.98814	2.1
71.01079	0.8
71.01385	9.6
71.05026	0.9
72.99329	1.2
73.02255	0.7
73.02943	4.9
76.16698	0.7
83.01368	1.8
83.05025	1.4
85.02956	13.0
85.03994	0.7
85.06556	0.7
87.00865	3.2
87.04518	0.9
89.02443	4.6
89.86874	0.7
96.95993	0.9
97.02921	2.0
99.04489	1.0
99.92571	1.7
101.02428	7.0
103.04015	22.0
109.06585	1.0
113.02454	3.7
116.92091	1.3
116.92863	13.3
117.01920	1.2
117.92976	0.7
119.03494	2.2
121.06578	0.9
125.02457	0.9
125.06092	0.8
134.29008	0.8
135.08128	1.0
135.11766	1.2
137.09732	5.7
143.03511	0.7
145.05025	0.8
161.04543	2.1
161.09653	2.4
163.07576	1.9
177.53568	0.7
179.10779	6.0
181.08743	4.9
194.44171	0.8
197.11835	15.1
203.10818	0.8
223.09734	5.9
227.03424	1.9
229.45943	0.7
241.10820	14.0
241.14583	1.3
247.08202	1.5
251.11000	0.8
255.03032	3.4
257.04526	0.9
265.09167	12.2
273.10553	1.6
283.11948	5.8
284.03290	3.8
285.04025	5.3
303.11539	1.7
307.10217	0.9
313.13004	1.1
343.13943	5.1
345.15515	1.8
369.19095	1.5
403.15948	5.9
427.19855	1.6
429.17593	2.5
429.22150	1.2
445.20139	2.5
471.18408	1.9
489.19733	100.0
490.19919	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	489.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.7
58.00602	0.8
59.01377	91.1
60.01703	1.0
61.25745	0.7
61.98821	2.4
62.00470	0.6
67.62879	0.7
67.91661	0.7
69.03452	0.7
71.01376	9.9
71.05022	1.5
71.32192	0.7
72.99323	1.2
73.02940	3.5
76.06857	0.6
78.50183	0.7
80.35204	0.6
83.01394	0.8
85.02947	17.6
87.00906	2.1
89.02447	6.0
91.21835	0.7
95.05004	0.9
96.96026	2.6
97.02989	0.8
97.06633	0.9
99.00852	0.8
99.04533	2.1
101.02459	6.9
103.04011	22.5
104.91367	0.8
106.85181	0.7
109.06596	0.8
111.00857	1.1
113.02451	4.1
113.13452	0.7
118.98113	0.9
119.03516	2.0
119.08649	1.2
120.05621	0.7
121.02936	2.0
129.01932	1.9
130.16466	0.6
135.08170	1.3
137.09732	4.6
137.14032	0.8
147.03058	0.9
151.78621	0.7
159.11728	1.5
161.09746	2.2
163.07649	2.7
166.81464	0.6
179.10822	5.3
181.08672	4.8
197.11804	16.9
223.09738	4.7
223.13306	0.8
241.05107	0.7
241.10822	15.8
241.14545	1.0
242.24677	0.8
249.73306	0.7
265.09213	17.4
267.16000	1.6
283.11905	5.4
313.13101	0.8
343.14014	5.2
369.19171	1.9
387.20270	1.9
403.16116	7.5
427.19385	1.3
429.16553	3.4
445.20950	3.5
471.19000	2.1
489.19681	100.0
490.20065	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	489.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93384	0.4
56.00863	0.5
57.03444	5.1
58.00575	0.6
59.01381	51.9
61.98803	1.1
68.35313	0.5
70.24684	0.5
71.01381	8.3
71.05027	0.6
71.52886	0.6
72.99320	0.7
73.02954	3.0
83.01360	1.1
83.05016	1.4
85.02946	12.2
87.00862	2.1
89.02467	4.2
95.17344	0.4
96.95980	0.7
97.02920	1.3
99.00901	0.5
99.04476	0.9
99.92621	0.7
101.02445	5.5
103.04013	24.5
111.04494	0.6
112.46635	0.5
113.02447	3.6
113.21851	0.5
116.92867	3.8
117.01900	0.8
119.03474	1.6
119.08626	0.8
123.04522	0.6
125.06036	0.8
129.01892	0.6
133.10262	0.8
135.08128	1.7
137.09723	5.8
145.05037	0.7
149.09717	0.5
151.11160	0.5
153.09242	0.5
159.11784	1.4
161.04509	0.9
161.09727	2.6
163.07593	1.8
179.05692	0.8
179.10773	5.6
181.08667	4.3
193.12346	0.8
195.10172	0.7
195.13760	1.1
197.11833	15.6
198.12141	0.7
205.08777	0.9
221.11790	1.2
223.09737	4.7
227.03413	1.1
237.11156	0.7
241.10809	13.3
241.14398	3.0
247.08180	1.3
251.11000	0.9
255.02948	2.6
265.09235	14.0
267.15976	0.7
283.11850	6.3
284.03235	3.2
285.04050	3.7
307.10577	0.8
313.12866	0.6
328.67181	0.6
343.14053	5.7
403.16080	6.3
427.19684	1.7
429.17398	5.7
445.20035	0.9
457.76730	0.5
471.18607	2.1
489.19702	100.0
490.20209	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	489.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	11.6
59.01377	100.0
61.98831	54.2
62.16472	1.4
69.53046	10.3
71.01382	23.4
73.02946	8.7
75.00890	1.6
80.96516	2.1
83.01381	4.7
85.02954	11.1
87.00871	15.0
89.02454	10.1
94.90520	1.5
96.96004	4.9
98.19911	3.6
99.04523	14.9
101.02441	18.8
103.04005	2.8
113.02441	8.1
115.00371	25.1
119.03484	2.5
124.01663	1.8
125.02436	12.4
129.01913	3.0
135.04562	1.9
139.00363	6.9
147.02974	5.1
149.99573	2.6
151.95140	1.4
152.99655	2.0
157.01428	9.8
161.04494	7.6
168.00641	5.6
171.10234	3.3
172.89520	1.4
175.02480	48.5
176.02873	1.8
179.03439	1.8
179.05579	3.6
191.01942	2.1
223.13380	2.1
236.92711	2.1
241.14218	2.1
260.03592	3.5
267.16058	5.4
269.12909	5.9
313.11771	5.3
343.13095	1.7
355.12939	2.1
371.12418	3.8
385.18759	4.5
399.11691	2.7
403.19632	3.4
409.13809	4.3
416.91409	1.8
417.09027	1.6
426.12488	6.3
427.14954	7.6
429.17465	5.9
429.22076	2.8
441.12320	2.0
445.20596	3.4
471.14423	3.7
489.12823	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	489.1037
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03451	0.3
59.01377	16.1
63.02383	0.5
65.00327	0.6
69.27495	0.5
69.27893	1.5
73.02925	0.4
83.01398	0.3
85.02940	0.6
89.02450	0.3
91.01868	0.3
91.31084	0.2
93.03436	1.2
97.29157	0.2
98.20700	0.4
98.33918	0.2
101.02431	0.4
103.04013	0.6
107.01400	2.3
108.02129	0.2
109.02945	0.6
113.02412	0.2
117.03462	0.3
119.01379	0.3
124.98743	0.2
131.05037	0.2
132.02185	1.4
135.00870	2.0
137.02443	0.3
143.05051	0.9
143.76822	0.2
151.00398	1.8
153.01910	0.2
157.06560	0.4
159.04494	0.9
163.00366	1.9
164.01175	0.4
167.05011	0.6
169.06557	0.4
171.04501	0.5
173.06100	0.2
178.99922	0.3
183.04536	1.0
184.05190	0.3
185.02504	0.4
185.06099	1.4
187.03987	2.3
189.05556	0.6
190.99945	0.4
191.03435	0.2
195.04468	0.5
196.05333	0.3
197.06059	0.9
199.04039	1.0
200.04776	0.3
201.05534	0.7
209.00923	0.2
211.04002	2.7
212.04652	0.3
213.01965	0.3
213.05481	1.6
215.03587	0.3
217.04935	0.3
227.03484	26.5
228.03868	1.0
229.05040	8.2
230.05261	0.3
239.03540	1.6
240.04208	0.6
241.04951	1.3
243.02994	0.4
255.02972	56.5
256.03592	4.2
257.04559	5.2
265.09210	0.9
267.02908	0.6
283.02435	0.7
283.05612	0.2
284.03250	79.1
285.04019	100.0
286.04388	3.3
297.03845	0.2
327.05084	0.9
345.15533	0.3
429.21301	0.2
447.08969	0.3
489.10376	51.9
490.10687	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	488.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.4
71.01401	2.9
71.52184	0.7
78.57297	0.5
85.02934	2.9
89.02460	0.8
101.02439	0.7
102.05612	35.8
119.03494	0.8
119.04999	0.9
128.03540	26.8
129.01942	0.9
131.53474	0.6
134.58943	0.6
145.01425	1.1
145.05194	0.6
145.06213	2.4
146.04593	100.0
147.02966	2.0
147.04904	1.7
147.06587	1.4
163.03978	0.7
179.03255	0.6
191.01927	1.0
216.96423	0.6
310.35641	0.7
341.10773	1.0
342.11438	0.9
343.11264	0.7
489.14102	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68386	0.5
53.81683	0.5
57.03437	3.4
59.01109	0.8
59.01380	10.6
61.98822	1.8
67.20016	0.5
68.99822	0.6
70.90838	1.0
70.91171	0.7
71.01376	8.7
73.02946	1.0
83.05023	1.3
85.02956	11.6
86.97929	0.6
87.00903	0.8
89.02444	3.7
92.48212	0.6
95.01382	1.1
97.06604	0.6
99.04567	0.6
101.02443	4.3
103.04015	27.0
106.04275	0.9
107.05010	1.0
113.02469	3.0
119.03468	1.4
125.09747	0.9
141.97859	0.6
145.05074	0.8
161.04483	0.9
175.14894	0.9
177.12851	6.0
195.13904	58.3
196.14215	1.7
196.85797	0.6
203.10750	6.5
219.13876	2.6
221.11769	3.4
239.12888	25.7
247.08223	0.7
253.14468	0.7
263.12878	8.0
265.09296	21.4
266.09378	0.9
281.13998	0.9
305.13846	0.6
341.16064	1.7
382.47092	0.8
401.18320	2.8
443.23352	0.7
469.20432	0.8
487.21780	100.0
488.22189	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	8.4
58.00579	3.5
59.01381	70.1
61.98833	16.9
67.48034	1.5
69.03433	1.6
69.33841	11.1
70.27459	1.4
71.01013	2.1
71.01383	28.2
71.05025	8.8
72.99302	2.2
73.02943	17.9
78.95898	3.7
83.01391	6.7
83.05016	4.2
85.02953	44.2
87.00887	3.2
87.04496	1.5
89.01932	2.5
89.02441	23.0
93.03465	2.5
95.01382	1.7
95.05008	4.0
97.06587	3.2
99.04491	3.1
101.02436	24.4
103.04012	70.9
106.04204	1.7
107.05032	1.3
109.06581	2.2
113.02435	11.7
119.03490	8.8
121.06577	10.8
127.18498	1.2
131.03490	1.4
133.10231	2.1
135.08128	3.0
137.06058	2.3
139.07652	2.1
143.03456	1.7
145.05025	2.1
147.03009	1.4
147.04497	2.9
148.05186	1.3
149.04501	2.5
149.09679	3.1
151.11264	23.9
152.99561	4.6
161.04546	2.7
163.11331	2.7
165.05504	3.8
175.11250	3.6
177.09192	19.7
181.08727	1.2
182.56311	1.2
191.01996	1.3
195.10255	13.2
209.11798	21.5
219.10150	6.1
221.08052	2.0
221.11903	1.7
227.12883	3.3
237.11232	3.3
239.09320	8.5
247.08260	3.1
265.09265	98.7
266.09531	1.8
281.10062	1.7
401.14548	4.3
413.14548	9.4
443.13312	2.4
443.19177	48.0
444.19296	2.8
455.16663	3.2
469.16907	2.3
487.18259	100.0
488.18643	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	487.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	6.1
59.01379	61.3
69.39384	6.0
69.39799	3.1
71.01390	20.8
71.05019	7.8
73.02946	3.9
83.01380	4.2
85.02950	36.0
87.00872	3.5
89.01952	1.5
89.02455	20.7
95.01349	2.0
95.05015	1.4
97.06580	2.8
98.20490	5.0
99.04478	2.9
100.30637	1.2
101.02445	14.8
103.04011	64.5
113.02452	8.4
119.03498	7.3
121.06584	9.3
129.01891	1.9
135.08176	2.2
145.05054	1.7
147.04578	2.1
149.09718	1.7
151.11302	18.1
159.08122	1.9
161.04521	1.7
165.05527	4.7
175.11310	1.6
177.09200	14.9
179.05576	1.7
195.10222	7.5
219.10231	3.5
237.11343	1.9
239.09090	1.4
247.08144	1.3
265.09283	100.0
266.09595	2.9
276.70886	1.3
341.12128	2.7
401.14392	4.1
413.14572	11.5
443.19183	53.3
444.19534	1.6
469.17160	2.4
487.18130	87.1
488.18875	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.84192	1.1
57.03450	8.8
58.00591	1.8
59.01379	64.8
59.10125	1.3
61.98815	4.4
63.32028	1.2
66.25626	1.1
67.34836	1.2
67.62955	1.2
69.03429	2.0
69.34610	2.3
69.35013	7.1
71.01379	28.0
71.05011	8.1
72.99298	3.2
73.02943	6.5
74.99060	1.3
83.01350	5.0
83.05026	2.3
85.02946	49.3
87.00878	3.1
89.02445	19.7
93.03463	1.4
94.11262	1.2
95.01426	1.5
95.04994	3.1
96.96008	13.8
97.02937	1.8
97.06570	1.9
99.04504	2.9
101.02438	19.2
103.04008	71.3
106.04238	2.3
107.05035	1.8
111.00872	2.2
113.02452	14.1
115.07645	3.3
119.03513	8.3
119.05042	2.6
121.02942	1.9
121.06584	9.3
123.08128	1.1
125.02432	1.1
129.01883	2.4
133.10265	2.0
135.08121	1.9
137.06100	1.4
137.09705	2.0
145.05049	2.6
147.04520	1.8
151.03983	1.4
151.11296	18.7
153.41496	1.2
162.06801	1.2
163.07690	1.2
165.05510	3.6
166.99484	1.2
175.11243	4.3
177.09204	17.0
179.05692	1.4
189.67418	1.3
195.10275	9.9
205.12566	1.5
208.20964	1.2
210.07651	1.7
219.10222	5.3
221.11804	1.7
237.11186	3.5
239.09337	2.5
239.12836	2.7
247.08173	2.9
265.09274	100.0
266.09641	3.6
341.06769	1.4
361.11392	2.0
401.14386	4.2
413.14319	10.7
425.18231	2.2
443.19165	48.6
444.19510	2.7
451.10382	1.9
469.16837	2.5
487.18134	69.9
488.18375	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	487.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	6.9
58.00595	2.2
59.01378	76.4
59.34124	1.3
61.98822	3.3
71.01378	24.4
71.05000	8.3
71.93190	1.5
72.99294	1.5
73.02940	9.7
77.96719	1.8
81.35126	1.8
83.01360	6.5
85.02945	34.1
87.00869	3.9
89.02435	23.0
97.06593	1.9
98.20731	4.3
99.00845	2.1
99.04496	3.4
101.02441	17.0
103.04013	64.6
113.02454	12.6
119.03466	7.2
121.06593	12.3
133.10219	2.0
135.08170	2.8
136.99152	1.6
137.06087	2.0
146.39595	1.8
147.04417	2.5
148.69012	1.7
150.74435	1.8
151.11282	24.9
161.04521	3.8
165.05502	2.3
175.11221	3.2
177.09193	18.0
179.07091	2.3
195.10287	11.0
196.06030	1.9
205.12154	1.6
219.10150	3.7
229.40938	1.9
237.11179	3.0
239.09167	4.3
247.08191	3.5
265.09262	100.0
265.13760	3.1
266.09573	2.4
401.14368	3.8
413.14514	10.1
443.13351	3.5
443.19189	50.4
444.19797	2.9
469.17035	3.5
487.17950	69.7
488.18573	3.5
506.26855	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	487.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15249	0.9
56.54771	1.0
57.03452	11.0
57.37140	1.0
58.00592	1.8
59.01378	82.7
61.98818	2.2
63.39003	0.9
69.03440	1.4
70.40768	3.0
71.01019	1.7
71.01382	26.6
71.05022	9.2
72.99298	2.4
73.02954	8.2
74.99094	13.3
83.01372	4.7
83.05013	1.3
85.02947	41.5
85.47675	1.0
86.03277	1.1
87.00854	2.4
89.01938	1.8
89.02445	23.4
93.03465	1.3
95.01366	2.0
95.05009	2.7
96.95975	1.1
97.02921	1.8
97.06574	1.6
99.00843	1.2
99.04525	6.2
101.01810	1.3
101.02441	19.3
103.04010	64.3
106.04257	1.2
107.05042	1.1
111.00896	1.3
113.02450	12.6
113.05994	1.3
115.04020	1.4
117.05504	1.3
119.03496	9.7
119.04960	1.6
119.08623	1.4
121.02984	1.4
121.06599	9.8
125.02409	2.7
129.01909	1.9
133.10210	2.1
135.04431	1.5
135.08125	2.1
136.99132	11.4
137.06113	1.5
137.09682	2.6
143.03464	2.3
143.36696	1.0
145.05054	2.0
145.06535	1.9
146.40968	1.0
147.04477	1.8
149.09686	1.5
151.11278	19.9
161.04491	2.5
163.07578	1.8
163.11304	2.0
165.05501	3.3
166.10635	1.1
167.98882	5.7
175.11244	3.5
177.09193	20.3
179.03481	2.4
179.05560	1.4
194.05754	3.2
195.10269	7.8
205.12315	1.4
209.08080	4.3
209.11766	1.1
219.10213	4.4
237.11342	1.9
239.09192	3.0
239.12755	2.2
243.04767	1.9
247.08241	2.3
248.42656	1.2
259.04242	6.6
265.09259	100.0
307.15384	4.2
307.18747	1.7
341.12103	1.4
346.33902	1.1
401.14282	4.1
413.14420	13.7
425.18060	2.1
443.13293	2.2
443.19177	40.1
444.19528	3.0
469.17197	1.9
487.18036	82.9
488.18326	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	487.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62094	2.5
57.03439	6.2
59.01382	80.7
61.98827	3.7
64.05550	3.2
69.88528	15.8
71.01378	28.9
73.02951	17.5
75.00860	11.7
83.01384	13.4
83.16048	2.8
85.02956	20.2
87.00860	9.3
88.55624	3.1
89.02431	12.2
96.95974	3.3
101.02424	12.4
108.02169	5.5
111.00830	2.9
111.04506	3.5
113.02447	12.0
119.03487	3.1
123.00859	4.5
123.04509	4.1
123.08173	3.9
124.01648	3.1
125.02431	7.7
127.28958	2.9
129.01918	10.8
134.03711	6.0
138.06877	21.5
139.07664	3.1
148.05347	23.8
149.06129	4.8
149.99591	3.0
151.07634	9.6
152.08412	6.9
153.09215	93.0
158.63882	2.8
159.04550	3.6
160.01663	9.3
163.03951	4.8
163.07648	23.3
165.09158	15.1
168.00586	7.2
175.03996	20.3
175.07704	3.4
176.04778	4.4
177.05450	3.9
178.06322	6.3
188.04778	25.0
191.07114	6.1
193.04961	3.9
203.05499	4.2
203.07172	5.8
204.04166	2.9
206.05835	6.9
206.09409	5.2
213.85559	3.2
218.05968	4.2
221.08270	25.0
221.11804	40.4
223.51474	3.1
232.03712	5.4
233.08102	3.8
235.06120	11.7
239.12878	28.2
245.08237	5.3
247.06059	15.1
258.02853	2.7
277.07056	3.9
289.06964	7.9
303.07220	15.4
305.44785	3.2
307.08289	13.9
335.53293	3.4
383.13388	14.7
389.94525	3.1
391.23541	2.9
427.12442	100.0
428.12515	6.0
487.10483	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	487.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.7
57.03425	3.6
59.01380	58.8
61.98812	7.6
69.27225	4.8
69.27632	19.8
71.01383	31.8
72.99295	2.4
73.02950	12.0
75.00883	11.5
82.71309	2.6
83.01367	14.8
85.02953	17.7
87.00853	11.3
89.02446	12.9
97.02950	4.8
99.00896	2.7
101.02451	14.7
108.02160	6.5
111.00858	5.6
113.02441	17.6
118.94782	2.8
119.03524	3.8
119.05009	6.5
122.03754	2.4
123.04495	4.1
125.02432	3.0
129.01917	10.3
134.03691	5.6
135.04591	3.7
138.06839	7.6
139.07602	2.7
147.03040	2.8
147.04517	2.5
148.05278	24.5
149.06052	4.5
151.07629	11.1
152.08365	3.9
153.09212	43.0
160.01634	9.8
160.05301	2.8
161.04601	4.5
161.95222	2.9
163.03984	10.0
163.07652	29.6
165.09183	6.4
168.00630	5.2
170.45848	2.7
175.03976	22.3
176.04753	3.1
177.05492	6.6
178.06322	9.3
187.04010	4.1
188.04741	21.3
189.05438	2.7
190.65178	2.6
191.03537	3.5
191.07086	5.2
193.05029	3.5
203.03543	2.9
203.07150	7.9
205.05003	7.5
206.05847	5.0
206.09546	4.6
214.44324	2.3
218.05807	3.0
221.08237	21.4
221.11818	24.4
230.05754	2.8
232.03728	2.8
235.06149	5.7
239.12955	13.9
245.08031	5.6
247.06039	16.5
265.07080	5.8
277.07104	6.0
289.07175	8.3
303.07291	15.1
307.08322	17.2
340.82654	2.3
353.47653	2.5
383.13385	19.6
389.23163	2.6
427.12445	100.0
428.12552	7.5
435.55106	2.2
487.11371	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31211	3.7
55.01876	9.9
57.03445	12.3
59.01382	37.6
61.98845	4.4
63.79234	3.5
69.03448	6.5
69.87188	19.1
71.01370	21.7
73.02938	10.6
75.00884	4.4
78.53809	3.2
80.95799	3.0
83.01392	7.2
84.48580	3.0
85.02946	16.5
87.00880	10.4
87.67371	3.2
89.02435	19.5
98.20620	3.6
99.00879	4.6
101.02460	16.5
107.01973	3.4
111.00888	10.2
113.02425	28.1
119.03545	6.2
119.05031	60.3
123.04529	3.4
125.02577	3.3
134.03748	24.2
147.04541	3.6
148.05302	87.8
149.06010	16.1
153.09233	4.0
159.04456	5.8
160.01642	13.7
161.04549	8.3
161.05972	6.9
163.03992	53.0
163.07639	100.0
173.06068	12.6
174.03178	9.3
174.06819	5.2
175.03989	51.2
176.04715	10.7
177.05441	5.0
178.06319	4.1
186.06859	5.0
187.04005	9.6
188.04849	21.6
189.05559	12.1
191.07124	14.2
193.05090	9.2
200.04797	9.3
201.05556	10.7
202.06308	14.8
203.03409	14.0
203.07147	20.0
204.07756	4.0
205.05006	7.4
207.06604	4.3
212.04778	4.6
215.03606	5.3
217.04962	7.5
217.08481	3.9
218.05779	12.3
219.06682	4.2
221.08176	13.7
229.04977	7.6
229.08755	9.5
230.05865	29.5
233.08228	23.5
235.06087	40.6
244.07324	8.4
245.08160	68.2
247.06139	7.6
249.07677	5.6
263.09238	82.6
264.09390	5.3
265.07269	5.1
277.07132	30.2
287.09048	5.1
289.07111	25.2
295.08151	6.6
303.07202	6.6
307.08200	34.5
383.13638	4.5
407.13467	4.0
425.14572	57.1
427.12344	32.3
431.70758	3.5
457.13135	4.0
469.13422	58.8
487.14435	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	487.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.5
57.03439	5.1
59.01381	19.9
61.98827	2.0
69.53239	12.1
70.68884	1.6
71.01378	17.6
73.02946	4.7
83.01398	5.2
83.05057	1.8
85.02947	10.5
87.00874	4.0
89.02423	11.7
95.01390	2.0
96.96006	4.5
99.00854	3.1
101.02438	10.2
108.02179	9.9
111.00878	26.8
113.02453	12.9
119.03496	4.5
119.05020	8.0
121.02962	2.5
122.03693	2.1
123.00874	2.2
123.04552	3.4
124.01666	2.9
129.01936	2.6
131.03473	2.7
134.03735	19.7
135.04535	1.9
148.05304	36.5
149.06061	17.6
159.04469	1.9
160.01640	8.5
161.02394	3.1
161.04532	10.9
161.05974	3.6
162.03143	2.1
163.04022	11.3
163.07637	53.4
173.06009	2.5
174.03188	4.7
174.06967	1.8
175.02547	2.8
175.03983	36.5
176.04759	16.1
186.03157	2.7
186.06824	3.2
187.03920	5.8
188.04684	9.2
189.05530	7.6
191.07127	20.8
193.05011	3.9
200.04715	6.1
201.05557	6.4
202.06268	6.7
202.99289	1.9
203.03430	6.9
203.07124	6.0
204.04073	2.6
204.07828	4.6
205.05037	4.8
214.06319	2.6
215.03511	2.4
215.07158	2.2
217.05046	4.7
217.08638	2.6
218.05740	5.3
219.06604	3.5
219.10208	4.3
220.03786	6.1
221.08095	3.7
229.05090	2.3
229.08595	4.1
230.05769	15.9
231.06476	3.4
233.08264	12.7
235.06107	100.0
236.06451	3.8
244.07469	2.3
245.08147	29.8
247.06070	2.6
249.07585	2.2
259.06046	4.2
263.09201	40.0
264.09561	2.3
277.07156	10.4
289.07208	33.1
307.08209	12.3
344.09045	1.8
371.10849	2.0
391.37872	2.0
425.14542	26.4
426.14978	3.1
427.12271	4.8
445.76175	2.0
461.53595	1.8
469.13434	22.2
470.13876	2.5
487.14847	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	487.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28775	0.9
54.07091	0.9
55.01870	1.0
57.03439	3.1
58.00591	1.6
59.01379	79.5
61.98825	6.8
67.01860	1.1
68.99836	1.5
69.03450	1.2
71.01382	37.2
71.05025	1.0
71.54578	1.2
72.65111	0.7
72.74218	0.8
72.99294	3.1
73.02944	8.3
80.82764	0.8
83.01394	6.3
85.02952	12.8
87.00870	3.2
89.02446	34.3
95.01402	4.4
96.95997	2.5
97.02947	1.6
98.95564	1.3
99.04511	2.8
101.02438	18.0
103.04037	1.9
103.84202	0.9
108.02190	2.1
109.02990	1.1
110.00067	1.5
111.00897	4.9
113.02457	16.6
119.03505	11.6
119.04929	1.0
121.02951	0.9
121.06609	1.2
123.04541	2.1
124.01656	1.9
125.02446	1.1
129.01926	1.9
131.03477	1.6
134.03740	9.9
135.04535	3.5
135.08160	0.9
143.03474	2.5
146.03723	1.1
147.00882	1.1
147.02997	2.0
147.04506	0.9
148.01668	7.3
149.04633	1.0
149.06097	3.2
151.11305	1.7
152.01225	0.9
153.05603	5.0
159.04495	2.4
160.05281	1.7
161.02415	2.6
161.04581	4.6
161.05792	1.0
162.03230	5.5
163.04012	9.7
164.04796	1.0
165.05563	1.1
167.03479	1.3
172.05325	2.4
173.06012	1.3
174.03247	2.1
175.03987	3.9
176.04765	3.2
177.05547	9.1
179.05614	8.4
187.03987	3.5
188.04788	6.5
189.05609	4.1
190.02701	9.3
190.06310	1.4
191.07106	2.8
195.06560	0.9
195.10136	0.9
200.04744	3.7
201.05542	3.2
202.06320	3.1
203.03435	1.5
203.07100	8.8
204.04308	5.2
204.07916	0.9
205.05060	18.7
211.07558	1.6
212.04700	2.2
214.02707	1.0
215.07257	1.8
216.04190	1.2
217.05020	1.5
218.05807	13.9
219.06612	1.3
221.11665	1.3
227.07042	2.0
229.04970	1.3
230.05867	5.6
232.03764	4.3
233.04478	3.0
233.08202	8.5
245.08183	13.5
247.06111	20.5
248.06537	1.3
259.06186	1.1
263.09308	6.7
265.09308	1.7
265.14621	1.5
275.96298	0.8
277.07147	27.9
278.07266	1.2
289.07156	2.5
305.70096	0.9
307.08218	100.0
308.08560	4.1
357.09808	2.0
391.88919	0.9
417.57776	0.8
424.18790	1.3
443.19046	10.9
487.14722	3.4
487.22934	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	486.268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.6
71.45079	1.3
88.04043	51.1
102.64394	0.7
118.51208	0.7
146.07803	0.7
147.08165	2.0
149.09694	1.6
163.11258	2.9
187.11269	2.3
229.56090	0.8
255.23357	2.0
265.12552	0.8
279.13947	0.9
280.14642	1.2
309.22266	2.0
322.19562	1.1
337.21719	100.0
338.21994	6.9
452.96143	0.7
455.53873	0.7
465.21167	1.1
486.20016	0.8
486.26877	16.3
487.26965	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.8
61.98837	0.3
71.01379	3.6
71.52900	0.4
72.00903	10.2
73.02946	1.0
78.76292	0.2
79.95721	0.3
83.05018	0.3
85.02962	0.7
87.00895	0.5
89.02449	2.5
91.05532	0.4
96.96672	0.3
97.06582	0.5
99.00836	0.3
101.02445	2.4
103.05552	1.6
106.98093	0.4
111.04521	0.9
113.02454	1.3
119.03504	1.4
119.05004	2.0
121.65229	0.3
124.00748	1.0
127.11691	0.2
141.05644	0.3
143.03490	0.6
147.04521	35.5
148.04848	0.9
154.79193	0.3
161.04567	3.9
163.04044	0.4
164.07167	100.0
165.01961	0.3
165.04089	1.5
165.07492	2.5
179.05675	1.7
214.53020	0.3
221.12590	0.3
223.03868	0.4
273.09814	0.3
303.10837	9.3
321.11865	3.5
330.84286	0.3
400.47226	0.3
487.15982	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	486.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	35.4
58.03782	1.3
58.45869	1.2
59.01379	49.6
60.27535	1.2
61.98829	100.0
70.85188	3.0
71.01379	11.2
72.57131	1.3
73.02941	5.1
74.99124	2.2
83.01400	2.4
85.02948	17.1
86.03298	3.7
89.02445	4.5
96.96009	2.8
99.03914	2.6
99.04521	34.3
101.02444	19.5
113.02446	5.6
115.08680	1.4
119.03445	1.5
119.04975	2.2
125.02454	15.8
129.01973	1.8
133.01524	1.8
136.99187	1.8
143.03493	2.6
147.03029	1.9
151.11334	2.0
161.04553	5.2
163.03969	1.9
191.01926	5.1
192.02357	2.7
192.35085	1.3
196.02438	1.9
209.02995	5.3
210.03419	2.9
221.11832	1.8
228.30896	1.6
242.10448	1.4
248.38664	1.3
261.13519	1.7
279.11591	1.7
279.14496	19.3
321.15472	16.8
361.18765	1.9
404.61084	1.9
423.18750	30.6
424.18845	1.9
443.18866	2.0
486.17206	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	486.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86649	0.7
53.27032	0.9
58.00591	1.6
59.01381	42.3
62.26625	0.6
67.72205	0.7
69.37675	5.9
70.43131	0.7
71.01381	34.1
72.99305	1.9
82.02979	1.9
83.01405	0.9
85.02943	5.2
87.00881	1.9
89.02444	46.2
92.46640	0.7
95.01374	1.7
98.20229	2.9
101.02444	18.7
112.15813	0.8
113.01725	1.0
113.02451	12.7
119.03507	14.4
126.01982	1.6
126.05592	1.4
127.05141	0.8
131.03490	3.0
133.18939	0.8
142.05106	1.8
143.03513	2.9
144.02989	3.1
144.06670	36.7
145.01390	0.8
145.06172	5.5
149.04568	1.1
161.04567	4.3
172.92937	0.7
179.04152	1.4
179.05614	19.2
219.27477	0.9
281.45514	0.8
341.10864	100.0
342.11298	2.6
383.35080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.8
57.03445	7.5
58.00579	0.9
59.01377	22.7
59.58788	0.4
61.98800	1.4
69.41390	1.6
69.41827	1.8
71.01380	13.2
72.99290	1.1
73.02935	2.1
75.00848	0.7
79.95704	1.8
83.01354	1.8
84.02133	0.9
85.02948	51.7
86.03352	0.6
87.00855	2.0
87.04492	0.8
89.01939	0.7
89.02445	11.3
89.06095	2.1
95.01408	0.8
95.04993	0.5
95.95193	1.3
96.96011	7.0
97.02891	1.1
97.06581	0.4
99.00294	0.4
99.00881	7.5
99.04482	0.8
101.01799	0.7
101.02435	9.8
103.04012	36.5
109.02959	0.6
111.00853	1.6
113.02446	5.4
113.61963	0.4
117.05577	0.6
119.03493	5.7
121.02899	1.4
121.06589	5.6
125.02403	1.0
129.01944	3.3
133.06680	0.5
134.03760	1.1
135.04524	0.7
135.08127	1.3
137.02501	0.5
137.09718	51.0
138.10068	1.2
139.03903	0.5
141.01912	0.5
143.03423	0.9
145.05042	1.0
147.02997	7.2
159.08147	1.2
161.02353	0.8
161.04475	0.9
166.98955	0.6
167.00169	3.5
168.00549	0.5
173.00928	0.7
175.11264	9.8
177.09178	2.8
179.05562	0.7
191.01961	14.7
217.12282	3.1
219.10243	14.0
237.07695	1.4
237.11295	6.3
247.08232	3.0
261.11276	2.0
265.09265	100.0
266.09616	3.6
279.12479	1.6
279.61996	0.6
290.54599	0.5
321.59085	0.4
347.09909	1.4
395.19858	0.5
467.11755	0.9
485.15253	4.6
485.20407	63.1
486.14877	0.5
486.20938	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	485.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30505	0.9
55.01891	1.9
56.26904	0.9
57.03458	6.1
59.01382	19.5
61.98840	4.5
71.01384	19.2
72.99316	1.2
73.02927	5.7
75.00851	1.4
83.01377	2.8
85.02950	44.3
85.03474	2.1
87.00872	4.2
89.02439	8.8
95.01376	1.1
96.96005	2.8
98.95583	1.9
99.00877	2.8
101.02434	13.6
111.00870	2.1
113.01147	0.9
113.02453	6.8
115.92075	1.3
119.03512	2.5
129.01952	15.2
131.03546	5.2
134.03758	7.0
135.04602	1.3
137.02435	1.7
147.03020	7.0
149.06096	3.3
158.14624	1.1
160.06422	3.9
161.04526	4.4
161.07202	44.2
162.07539	1.5
168.96193	1.0
173.00789	1.1
175.08762	15.0
178.02698	4.8
187.08772	2.2
187.20438	1.0
189.06693	64.9
190.06944	1.7
191.01968	21.6
193.05042	23.6
203.08257	16.3
209.03009	6.9
221.04652	1.6
221.06613	5.5
229.09854	1.3
234.93433	0.9
275.09180	1.2
305.11386	7.4
323.12585	2.3
338.06345	1.0
355.10263	5.7
467.11655	1.4
485.17810	100.0
486.18076	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13549	1.0
51.59173	1.1
55.01876	1.1
57.03447	7.4
58.00597	2.6
59.01379	100.0
61.98837	6.4
69.77605	5.7
71.01380	50.6
71.32678	1.1
72.99316	3.4
73.02959	1.2
75.00876	1.4
77.50562	1.2
83.01369	3.1
84.02163	2.0
85.02952	54.8
86.76292	1.0
87.00871	4.9
87.63068	1.0
89.02447	70.2
95.01383	2.2
96.96000	12.3
97.02965	1.0
99.04531	1.5
101.02442	24.2
108.02144	1.6
109.02965	2.3
111.00906	2.2
113.02441	20.9
119.03505	27.0
124.86927	1.1
125.02417	1.0
125.06065	1.5
129.01968	6.7
131.03510	3.8
133.01407	1.3
134.03738	1.2
136.99187	1.3
143.03481	5.9
147.02986	7.1
149.04553	2.8
152.01178	1.9
160.01697	1.3
161.02446	3.1
161.04565	9.8
169.01399	1.4
175.07600	3.3
179.03458	1.6
179.03781	1.8
179.05608	34.4
189.08719	1.1
191.01982	21.1
191.05455	1.3
191.07001	1.1
209.03018	24.5
219.10208	1.3
245.08128	3.8
260.03711	1.8
263.09360	2.1
280.32974	1.2
323.07642	3.6
341.08676	1.3
399.50616	1.4
425.14474	3.0
467.11423	1.9
485.12173	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	485.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58849	0.7
55.01870	0.8
57.03447	2.9
59.01379	5.0
61.26166	0.7
61.98824	7.1
69.68511	3.7
71.01371	3.3
72.99321	0.8
73.02947	1.1
76.39536	0.7
79.61897	0.6
80.91682	0.7
83.01354	1.1
84.02166	0.9
85.02953	33.0
87.00885	0.7
89.02430	2.2
93.03444	1.0
95.01352	0.8
96.96006	3.2
98.20105	1.7
101.02449	7.7
103.04026	0.8
109.02926	1.1
111.00885	1.9
113.02439	0.7
121.02960	1.1
121.75318	0.6
129.01945	39.7
133.02980	0.7
134.03740	31.1
135.04128	0.7
137.02434	5.9
139.04042	1.5
147.03047	3.9
149.06084	11.7
149.32028	0.6
161.07251	0.8
178.02713	24.6
179.03154	0.8
187.07617	0.7
189.06729	1.5
191.01971	11.9
191.03688	1.1
193.05054	100.0
194.05376	2.8
209.02965	4.0
221.04558	1.3
222.04993	0.7
223.04965	0.6
228.42984	0.7
265.09167	0.8
287.80283	0.6
349.56003	0.6
355.10333	20.5
356.10687	0.9
377.43716	0.7
402.65475	0.6
423.14969	1.0
467.12122	1.2
485.11810	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	484.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96975	1.3
58.02986	8.0
59.01380	13.7
59.12069	1.1
61.98829	12.9
69.18324	3.2
69.18728	7.2
70.02971	1.6
71.01377	4.7
72.00901	2.3
73.02926	2.5
74.02470	23.5
75.27055	1.2
75.39194	1.1
81.04568	1.5
82.02989	2.2
85.02946	3.7
86.02476	9.3
86.99072	1.6
87.05634	5.1
88.04044	1.1
90.00181	2.2
97.04091	2.7
98.19958	2.7
99.05643	18.6
100.00404	1.3
101.02437	3.0
101.07191	3.4
101.22019	1.1
101.22745	1.1
102.05587	4.0
103.04037	1.5
109.04039	1.9
111.05630	1.8
112.04035	2.9
113.02422	2.6
116.01717	2.0
120.01225	1.5
121.02938	1.5
123.05630	2.7
123.08148	1.5
124.04010	1.8
124.74722	1.2
125.03532	1.6
127.05113	4.1
128.03540	52.1
135.05611	5.0
140.01482	0.9
141.06702	4.3
141.36844	1.1
142.02553	1.4
143.04619	74.3
145.06152	3.4
146.04579	6.8
153.06702	4.8
160.00723	22.2
165.10306	4.0
166.09790	3.4
167.04620	4.8
167.08234	2.3
170.03293	1.1
171.04128	1.2
177.03391	7.2
179.04651	16.1
181.06201	1.1
185.05577	3.1
192.07690	1.9
197.05634	2.9
210.08827	15.0
242.07695	1.3
254.05095	1.5
254.07797	25.0
272.08875	38.0
273.09058	1.3
288.06543	14.1
306.07642	100.0
307.07938	2.6
322.17804	2.9
484.21848	8.3
485.15994	1.9
485.25406	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	484.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54204	0.4
59.01381	25.8
60.42757	0.3
61.98832	100.0
63.01192	0.3
69.66504	2.1
71.01380	4.5
72.99298	0.4
73.02966	1.1
73.12538	0.4
83.01398	0.5
85.02965	2.4
89.02467	1.4
98.19981	0.7
99.00930	0.4
99.19659	0.4
101.02444	4.1
113.02433	2.5
116.47704	0.4
143.03516	0.5
159.02904	0.6
161.04555	1.9
173.15492	0.6
190.80864	0.3
317.19714	2.1
335.20764	10.0
377.21832	6.1
425.23428	1.5
484.22894	1.2
485.24921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34629	0.5
54.31377	0.5
59.01379	30.8
61.93071	0.5
61.98828	100.0
71.01382	5.3
73.02936	2.7
83.01425	1.1
85.02942	2.9
87.00895	2.9
88.98824	0.5
89.02473	1.3
98.19879	1.2
99.00889	0.7
101.02445	4.3
113.02446	2.8
115.93924	0.5
117.94300	0.5
130.47563	0.5
138.81934	0.5
143.04605	1.1
156.42418	0.5
161.04590	1.6
187.30083	0.6
201.11461	0.6
236.09346	0.9
260.57779	0.6
306.07751	1.1
317.19885	1.5
335.20743	10.5
377.21646	6.3
440.15277	0.7
484.22668	0.6
485.24496	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02284	1.2
57.03433	2.7
59.01380	13.5
61.98829	77.7
69.76863	5.2
71.01380	11.1
72.99319	1.9
73.02965	2.5
74.47661	1.3
75.23432	1.1
77.70236	1.2
83.01392	1.3
83.05016	3.7
85.02464	1.5
85.02950	24.3
87.00885	1.7
88.98811	1.6
89.02442	55.7
96.95995	1.4
101.02438	6.1
103.04016	27.6
111.04516	28.1
113.02446	6.8
119.03503	3.3
129.01924	2.7
131.03476	4.0
143.00908	1.2
145.01341	1.3
145.04988	1.4
147.03011	1.3
149.40611	1.2
155.03491	43.6
161.04527	1.5
173.04523	8.3
191.01924	5.3
193.05023	2.0
227.22809	1.6
247.08238	13.5
265.09274	72.2
266.09628	2.0
337.11383	33.3
338.11798	1.7
362.02423	1.4
403.12451	5.4
421.13474	100.0
422.13605	4.0
485.12927	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54333	1.4
51.70872	1.3
54.01097	1.8
57.03445	3.5
59.01378	100.0
60.48362	1.4
61.98825	22.2
63.31212	1.5
69.28883	13.3
70.70404	1.3
71.01387	19.6
73.02927	8.3
74.02486	1.6
78.95872	2.5
83.01362	2.9
85.02940	16.0
89.02472	7.0
96.96014	1.9
97.02954	2.2
99.00869	2.8
99.04508	2.7
101.02470	11.1
103.04004	6.3
112.86897	1.3
113.02453	6.8
119.03464	2.1
128.03448	2.2
129.01877	1.5
135.03015	2.1
143.04633	3.7
152.99632	2.0
160.00752	2.0
161.04539	6.7
164.21103	1.7
177.03442	1.5
235.13310	5.0
249.15057	1.6
265.09180	3.3
272.08786	2.3
277.14386	2.1
306.07605	7.1
365.23297	19.9
397.22357	12.9
439.23309	5.5
447.22897	1.9
483.21448	9.7
483.27292	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	483.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54333	1.4
51.70872	1.3
54.01097	1.8
57.03445	3.5
59.01378	100.0
60.48362	1.4
61.98825	22.2
63.31212	1.5
69.28883	13.3
70.70404	1.3
71.01387	19.6
73.02927	8.3
74.02486	1.6
78.95872	2.5
83.01362	2.9
85.02940	16.0
89.02472	7.0
96.96014	1.9
97.02954	2.2
99.00869	2.8
99.04508	2.7
101.02470	11.1
103.04004	6.3
112.86897	1.3
113.02453	6.8
119.03464	2.1
128.03448	2.2
129.01877	1.5
135.03015	2.1
143.04633	3.7
152.99632	2.0
160.00752	2.0
161.04539	6.7
164.21103	1.7
177.03442	1.5
235.13310	5.0
249.15057	1.6
265.09180	3.3
272.08786	2.3
277.14386	2.1
306.07605	7.1
365.23297	19.9
397.22357	12.9
439.23309	5.5
447.22897	1.9
483.21448	9.7
483.27292	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	482.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18607	0.3
59.01377	17.0
61.98829	100.0
71.01377	6.6
73.02944	9.5
83.01387	2.7
84.78561	0.3
85.02969	1.2
89.02456	1.7
95.04337	0.4
96.83083	0.4
96.96032	0.7
99.00906	0.4
101.02436	8.4
103.03992	0.4
106.69851	0.4
113.02444	2.9
119.03529	1.0
131.03552	0.5
143.03490	0.9
147.25845	0.4
149.04558	1.5
155.03574	0.4
161.04585	2.8
170.61809	0.4
184.57793	0.3
221.06671	0.6
229.49219	0.4
316.19708	0.4
414.74258	0.4
482.22125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41669	0.5
53.63423	0.5
55.01873	0.7
57.03451	1.3
59.01377	5.8
61.98822	2.0
68.99822	1.5
69.42099	3.6
71.01382	7.2
72.99309	0.6
73.02942	1.1
74.99101	0.7
75.00866	1.6
76.35632	0.5
78.15862	0.5
78.95908	1.1
79.95734	0.6
83.01387	5.9
85.02953	5.7
87.00867	4.4
89.02444	3.5
93.03458	8.9
95.01365	1.2
96.95381	1.1
96.96010	21.8
96.96979	2.3
96.99335	0.6
98.20355	2.3
99.00879	2.0
99.04537	0.6
101.02436	2.4
107.05034	1.0
108.02139	0.6
109.02936	1.2
111.00890	1.0
111.04527	0.6
113.02456	4.6
115.00367	5.9
117.03468	5.1
117.66882	0.6
119.03577	0.8
119.05032	13.0
121.02914	1.2
123.04517	1.3
124.00690	0.5
125.02379	0.7
127.00368	0.9
127.03998	0.9
129.01930	1.7
130.04286	0.8
131.05031	2.7
133.02937	1.9
133.06580	4.0
134.03740	0.8
135.04507	1.5
143.04990	3.3
145.02948	12.5
145.06601	2.4
147.04512	19.5
149.06071	10.3
156.05804	0.6
157.01425	0.5
157.06528	0.8
158.03709	0.9
159.04478	2.0
161.02457	2.0
161.04741	1.0
161.06065	7.7
163.04002	1.6
163.07628	0.7
165.05569	4.0
169.06566	2.3
171.04477	3.9
172.05249	0.7
173.02397	0.7
173.06068	3.4
174.03172	1.7
175.02464	8.8
175.03983	2.7
175.07576	1.2
177.05563	26.1
184.05344	0.9
185.06084	2.7
187.04028	2.8
187.07607	1.0
189.05574	7.2
191.07150	1.0
193.05034	5.8
197.06047	3.0
199.03986	5.5
199.07654	1.6
200.04712	1.4
201.05565	5.8
203.03497	2.2
203.05331	0.5
203.07103	2.7
204.04305	2.2
205.05023	3.9
211.07593	0.8
213.05547	4.2
215.03564	0.6
215.07149	5.7
217.05045	31.1
218.05351	0.9
219.06615	7.8
221.04546	100.0
222.04855	3.0
227.07153	0.8
229.03096	0.5
229.05017	3.1
231.06599	2.6
233.04482	1.3
233.08127	4.3
241.05026	5.2
243.06635	0.8
247.06163	0.8
255.06592	6.7
257.08289	0.8
259.06134	12.0
261.04028	38.2
262.04373	1.4
271.06039	1.6
273.07739	7.2
274.08017	0.6
277.07166	10.2
301.07144	1.2
303.05298	1.0
319.08176	10.2
321.06107	22.9
322.06625	1.0
337.07547	3.0
367.10199	1.8
395.14136	0.9
439.12378	5.4
483.11227	3.8
483.20740	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	482.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19393	0.2
59.01376	0.6
61.98827	100.0
69.56377	0.2
69.56776	1.0
71.01398	0.4
74.64262	0.2
82.94827	0.2
85.02975	0.2
89.02425	0.2
164.07175	0.2
171.53839	0.2
213.20361	0.2
434.17322	0.2
448.25143	0.2
466.56879	0.2
481.95526	0.2
482.18668	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89363	1.9
57.03452	3.8
58.00585	5.6
59.01380	100.0
61.98832	25.8
69.03455	3.8
69.96581	10.0
71.01383	66.1
72.99319	2.8
73.02940	7.1
81.03436	2.4
83.01385	3.9
85.02962	18.6
87.00867	5.1
87.04511	4.8
89.02444	75.7
92.58369	2.3
95.01385	4.7
96.95996	3.4
97.02965	2.3
99.00851	2.6
99.04497	2.5
101.01787	3.8
101.02431	39.4
102.83076	2.0
113.02444	27.8
116.92880	2.7
117.05565	16.4
119.03512	33.0
123.08228	4.1
125.02438	10.4
131.03554	4.2
134.03725	2.5
136.01625	7.6
138.06818	5.6
141.09174	4.5
143.03488	9.8
149.04433	3.3
149.09691	2.3
151.00319	2.5
151.03978	5.8
153.09152	5.5
157.96075	2.0
158.33464	2.2
161.04550	15.8
164.07149	2.5
167.03479	3.0
178.73241	1.9
179.05612	40.0
181.12315	5.8
181.30011	1.9
193.01401	3.7
193.12306	3.8
195.13808	2.3
197.04506	5.4
211.13226	2.3
213.05524	8.9
223.13394	4.3
240.04237	2.7
241.05063	50.4
241.14470	7.9
252.37280	1.9
255.06529	3.5
256.07397	36.5
259.15479	53.7
260.15756	2.8
264.36365	2.0
271.09732	84.8
272.10049	3.3
283.09613	2.9
289.06750	2.1
295.10080	2.0
319.11795	17.4
335.12961	2.1
421.20758	98.2
422.21048	6.9
477.90988	2.7
481.17865	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.2
57.03445	4.2
59.01379	14.9
61.98830	24.3
67.01903	1.3
69.03447	1.6
69.27257	3.7
69.27682	3.6
71.01378	8.0
72.99332	1.1
73.02953	4.6
75.00884	0.9
81.03458	1.9
83.01386	3.1
85.02949	23.1
89.02455	1.7
95.01382	3.9
96.96043	1.0
97.02956	1.5
99.00813	1.5
101.02429	5.7
103.08347	0.8
107.01411	1.1
107.58790	0.8
108.02175	58.1
109.02959	41.7
109.58780	0.7
111.00861	4.6
113.02445	3.1
121.02946	2.2
123.00887	3.1
123.04526	1.0
129.01950	8.3
131.36676	0.9
133.02969	1.3
134.03772	2.3
135.08179	1.0
137.02452	1.1
139.11246	2.4
151.04033	1.0
152.01151	60.7
153.01959	15.4
161.04514	0.9
163.04004	1.6
163.07658	3.5
165.01971	1.6
167.91997	0.8
174.77844	1.1
177.09258	1.2
181.08725	0.9
183.10233	2.1
185.09709	4.1
187.11276	2.8
191.01877	1.1
191.18965	0.8
193.05042	1.9
205.03522	3.7
205.67468	0.8
215.10811	2.1
223.04547	2.0
231.10170	2.5
259.09741	42.4
260.10165	2.6
277.10791	22.7
315.07245	2.0
359.82074	0.8
385.14685	1.8
463.96341	1.1
481.17151	100.0
482.17764	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	480.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48865	0.3
61.98831	100.0
70.26865	1.1
105.90746	0.3
107.80215	0.4
149.12177	0.3
169.03096	0.3
379.64056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
64.85767	0.3
69.51766	0.6
69.52174	1.3
79.60128	0.3
85.83564	0.3
97.13217	0.3
98.19902	0.5
164.54591	0.3
179.63031	0.3
221.65045	0.3
478.97198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04146	0.4
51.70015	0.4
52.00088	0.4
59.01384	1.6
61.98828	1.8
69.80221	1.0
69.80613	0.7
71.01380	0.6
75.00846	0.4
85.02953	0.6
89.02438	0.7
98.19991	0.8
98.95580	0.7
101.02426	0.7
113.02457	0.7
134.03687	0.6
135.04527	0.4
136.01672	2.3
137.02396	0.5
150.93526	0.4
151.03987	2.3
159.32254	0.5
164.38173	0.4
185.06015	0.9
195.04349	0.8
197.06087	0.9
205.81210	0.4
212.04755	0.8
213.03606	0.9
213.05557	9.9
223.04025	2.2
224.04713	1.1
240.04266	0.8
241.05037	53.5
242.05455	2.1
256.07382	39.1
257.07715	1.6
271.09726	100.0
272.10049	3.9
283.09766	0.5
319.11807	20.8
320.12161	0.9
402.05139	0.5
416.75412	0.4
421.20471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.7
60.01723	0.3
61.98830	100.0
69.40968	1.8
71.01402	0.9
72.03496	0.2
73.02953	0.4
83.01408	0.3
85.02980	0.9
87.35616	0.3
89.02430	0.3
96.96021	0.4
101.02463	0.5
113.02474	0.4
120.54356	0.3
136.18971	0.3
148.20874	0.3
161.04669	0.3
183.93396	0.3
192.57559	0.2
205.03568	0.2
307.93542	0.3
348.25101	0.3
417.21475	0.4
420.25821	0.4
436.22739	0.5
481.20096	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06814	40.6
71.43935	39.2
77.57035	42.7
80.91873	39.8
82.71306	39.2
98.19866	100.0
151.20998	45.5
151.39233	56.6
229.10861	67.1
239.99690	43.9
497.81424	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	479.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33305	0.8
58.76606	0.9
59.01379	100.0
61.98821	1.8
62.63276	0.9
63.42905	0.9
68.62552	0.8
70.53223	2.7
110.25314	0.9
117.20036	0.9
125.75098	0.9
128.96182	0.9
169.17514	1.0
211.13358	2.8
293.21185	1.4
311.22290	8.4
322.91190	1.3
337.88495	1.1
422.62302	1.2
428.91965	1.0
441.30472	0.9
479.24063	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	480.245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42894	0.2
59.01379	2.4
61.98828	100.0
69.38729	1.0
69.39145	0.5
71.01389	0.8
72.99319	0.3
73.02958	0.5
75.71535	0.3
78.95888	0.2
83.01366	0.3
85.02946	1.3
96.96035	0.5
101.02425	0.3
107.22390	0.2
108.98886	0.2
111.00901	0.2
129.01953	0.3
178.21643	0.2
192.81459	0.2
197.54106	0.2
234.80975	0.2
401.79614	0.3
480.20145	0.7
480.29199	2.1
481.28204	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67712	2.2
57.03432	6.4
58.00589	3.9
59.00625	2.0
59.01376	76.9
69.03446	2.4
71.01017	3.1
71.01384	56.4
71.30389	4.3
73.02940	8.3
82.03238	2.3
83.05007	2.2
85.02941	25.3
87.00887	4.4
87.04483	2.3
89.02441	58.7
95.01362	3.6
96.95998	3.4
99.00886	3.0
101.02445	26.6
108.02236	2.8
109.02921	2.5
109.06525	2.1
113.02441	21.0
119.03512	27.5
121.46756	2.4
123.04486	3.5
123.08186	3.4
124.05307	4.6
129.01935	5.6
133.94806	2.4
139.07677	19.9
143.03496	7.7
149.09692	2.7
150.03221	2.7
151.07611	11.4
153.09187	3.3
161.04517	9.4
161.09673	9.0
165.05553	3.0
167.03494	5.3
179.05609	36.1
179.10760	45.5
189.40323	2.2
191.01964	2.2
191.10797	18.3
195.06496	4.9
209.11794	4.4
221.11810	5.5
239.12892	19.4
255.30611	2.0
257.13913	68.3
258.14297	2.8
309.29080	2.2
342.79388	2.3
363.10788	2.9
419.19177	100.0
420.19379	7.4
427.19296	2.6
498.67447	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	479.0835
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
55.01888	0.6
57.03428	1.7
59.01381	13.0
60.01695	0.5
61.98825	3.8
65.00322	0.9
71.01379	5.9
71.52792	0.4
71.54218	0.6
72.99316	0.9
73.02114	0.5
73.02946	2.9
74.99103	0.7
75.00845	1.3
83.01383	1.4
83.04984	0.6
85.02952	7.5
85.39803	0.4
87.00863	1.6
87.04536	0.5
89.02444	3.6
91.01885	0.4
93.03428	0.7
95.01372	0.5
95.05027	0.6
96.96004	3.3
97.02950	0.8
98.95599	3.9
98.96462	0.9
99.00870	0.8
99.04527	1.1
99.92579	5.2
101.02457	4.0
103.04021	1.4
107.01384	2.0
109.02972	0.9
111.00878	1.0
111.04513	0.9
113.02444	2.6
114.94942	1.2
115.92081	3.9
116.92860	45.7
117.92880	1.2
119.03491	1.3
119.05059	0.6
120.99635	0.8
121.86028	0.4
123.04467	0.8
124.01659	3.1
125.02451	0.5
129.01950	1.3
135.00883	0.5
136.99188	1.0
137.02441	2.8
138.05542	0.8
147.02975	1.1
151.00363	6.9
152.01134	2.2
155.03453	0.8
161.04565	1.4
163.00380	1.9
164.01147	2.1
171.10301	0.8
175.04025	0.7
178.99875	6.9
179.05609	0.7
182.97496	1.2
187.04128	0.6
191.02011	1.3
191.05505	0.5
192.00693	0.6
198.96786	0.4
199.03992	0.8
201.11346	0.7
203.03589	0.9
214.02725	6.1
215.03470	0.9
226.96527	4.3
227.03532	0.8
231.12349	0.8
242.02200	5.5
243.02893	2.5
253.09341	0.9
259.02457	6.3
265.09311	0.6
270.01709	6.9
271.02469	38.6
272.02814	1.6
287.01971	21.3
288.02585	2.4
299.02078	1.4
299.09229	0.7
299.15021	0.7
299.18604	1.5
316.02228	97.7
317.02942	16.1
317.19608	1.8
318.03317	0.6
327.13486	0.5
346.13138	0.6
359.13004	0.5
379.15198	0.9
389.13751	4.2
390.13870	0.6
399.07309	0.5
443.06583	1.8
461.24301	1.0
479.08350	100.0
479.25476	19.4
480.08673	5.5
480.25302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43036	1.2
55.01876	1.4
57.03446	1.6
59.01378	19.6
61.98830	100.0
64.60079	1.2
69.03455	5.0
69.85973	1.2
71.01376	5.0
71.53948	1.5
73.02926	4.0
79.01885	5.3
80.03705	1.2
83.01373	2.9
85.02959	7.7
87.00883	1.7
88.98797	2.5
89.02432	2.2
93.03443	1.2
95.63841	1.1
96.96018	2.0
97.02924	2.3
97.07864	1.3
98.12254	1.3
100.36739	1.1
101.02441	3.9
101.13260	1.6
107.01398	11.4
107.79575	1.4
110.31520	1.5
111.00872	1.7
113.02464	3.2
121.02953	1.8
123.00910	1.8
125.02435	6.7
125.87910	1.4
129.01958	2.5
129.78491	1.4
130.31715	1.7
135.00887	40.4
138.05542	2.1
142.15407	1.2
151.00305	1.9
167.03496	96.7
168.03784	3.9
175.02495	1.3
187.03912	1.2
209.04558	3.8
225.11252	2.1
271.02429	2.6
299.01828	4.5
315.01236	1.9
316.02145	1.3
358.10248	8.3
363.19730	1.7
371.09778	2.5
388.11023	7.8
424.20877	1.4
478.07101	2.0
478.22913	2.4
479.08347	10.3
479.20505	4.0
479.24911	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	477.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.4
60.34970	1.1
61.98825	3.5
62.71075	1.1
67.97780	1.0
69.75813	1.2
70.11014	4.4
71.01382	13.5
71.18449	1.1
72.99296	1.6
73.02947	3.7
75.00872	1.3
83.01352	2.3
85.02943	2.1
89.02448	2.1
92.71119	1.1
95.01382	1.4
101.02448	5.2
113.02452	5.2
125.93220	1.0
132.66025	1.1
154.19423	1.3
180.30003	1.2
213.63026	1.3
216.10916	1.3
239.23773	3.0
251.23692	2.0
255.23276	73.2
256.23416	2.6
267.23267	5.6
269.24832	100.0
270.25156	4.6
279.23264	5.9
297.24344	16.4
309.24277	1.8
313.23795	7.2
327.25397	3.3
430.42688	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.3
70.35474	3.3
70.35827	9.0
71.01379	17.5
75.00885	2.8
83.20131	2.8
88.66646	2.6
89.02451	4.4
101.02433	7.9
113.02457	11.2
113.93196	2.8
123.84113	2.2
126.69830	2.5
129.93394	2.7
149.06049	2.7
161.04567	2.7
240.58020	2.5
249.92619	2.5
251.24033	2.9
253.42159	3.0
255.23288	100.0
256.23608	5.7
256.83798	2.9
267.23181	3.4
269.24835	97.3
270.25092	4.5
279.23389	7.1
297.24280	20.4
477.35785	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	477.2855
Annotation	2-Dehydro-3-epi-20-hydroxyecdysone
Peak:m/z	Relative Intensity
53.56205	0.7
59.01379	100.0
61.98823	4.9
67.86055	0.7
70.52750	0.7
70.53114	2.3
83.05046	1.4
85.02950	7.1
87.84674	0.9
91.31238	0.9
95.80163	0.7
97.06620	0.9
107.13836	0.8
109.06660	0.9
111.08147	1.2
125.09755	1.6
132.02206	0.9
158.87215	0.9
171.10269	17.3
171.13808	1.0
187.14890	1.0
209.11771	3.3
209.59909	0.9
211.13382	3.2
213.12712	0.8
231.13898	2.2
233.15543	1.8
249.14958	9.3
267.11130	0.9
291.93246	0.9
375.25897	0.9
377.21927	0.9
385.23639	2.4
403.24884	3.1
459.27451	6.4
477.28491	10.2
477.35834	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	477.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12183	0.5
55.01880	1.2
57.03444	2.7
58.00577	0.8
59.01379	100.0
60.01713	1.4
61.98829	17.0
63.67581	0.5
69.38905	4.1
69.87957	0.5
71.01379	25.9
73.02938	6.8
75.00870	0.6
82.23618	0.5
83.01377	2.6
85.02945	13.4
87.00881	1.6
87.04525	1.3
89.02443	8.0
93.03483	0.8
95.01408	2.0
95.42123	0.6
97.02959	1.1
99.00875	2.7
99.04567	0.8
101.02448	16.5
103.04015	3.0
111.00913	0.7
113.02451	10.4
113.98978	0.5
119.03519	4.2
119.05023	0.9
120.99698	0.8
125.02433	0.8
129.02013	1.1
143.03539	1.2
151.00404	0.6
152.44298	0.5
159.03029	2.3
161.04544	17.0
179.05685	1.5
191.01952	0.6
201.85974	0.6
207.06718	0.6
208.55460	0.5
229.14511	1.9
229.65279	0.5
243.12598	0.5
251.20993	0.5
255.19742	1.0
265.09299	0.9
271.06226	1.4
271.15442	0.8
272.06525	1.2
273.06729	1.4
277.35150	0.5
283.06488	0.9
289.40601	0.6
291.64764	0.5
298.08432	0.8
299.09186	0.7
313.10849	1.4
357.09760	0.5
358.10583	0.6
372.12012	0.6
373.12964	1.5
373.22528	1.2
385.13000	0.7
391.23502	0.6
417.24927	46.8
418.25214	2.9
447.16769	1.1
477.18188	1.6
477.23590	8.6
477.28888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2704
Annotation	Terragine D
Peak:m/z	Relative Intensity
55.01908	0.6
57.03450	1.1
58.00636	0.5
59.00948	0.7
59.01380	21.8
61.98829	1.8
69.03498	0.8
69.34930	0.5
69.35335	1.1
71.01380	12.3
71.05018	1.4
72.99358	0.7
73.02951	3.4
79.83824	0.2
81.03512	0.3
83.01378	1.6
85.02943	5.1
85.06618	0.3
86.00134	0.3
87.00875	3.8
89.02435	1.9
95.01398	1.1
96.96066	0.3
97.03011	0.6
98.19943	0.4
99.00876	1.1
99.08170	1.4
101.02445	5.2
103.04112	0.4
112.01723	0.3
113.02457	3.0
119.03560	0.5
124.01751	0.8
125.02461	1.1
127.11282	1.9
141.09283	0.2
141.12846	1.1
143.03551	0.7
143.10809	0.9
161.04645	0.4
171.10275	2.4
171.11496	0.2
183.13910	0.3
229.14540	0.3
230.90630	0.2
237.18663	0.3
255.19661	3.9
271.19287	0.3
273.20706	23.3
274.21063	1.1
285.20755	0.6
287.22498	0.4
315.21713	0.9
389.10712	0.2
399.23993	0.6
417.24933	12.3
418.25293	0.7
435.25980	32.3
436.26337	2.4
477.27029	100.0
478.27402	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	477.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
57.03448	4.4
58.00589	1.1
58.41203	0.6
59.01379	100.0
60.01732	1.0
61.98834	20.9
71.01379	35.5
71.55021	0.9
72.99323	2.1
73.02944	10.7
75.00896	1.2
78.95926	1.0
83.01382	5.6
83.22206	0.8
85.02950	16.6
87.00890	2.7
88.98814	1.4
89.02444	14.5
95.01415	2.6
96.95985	1.2
97.02920	0.9
99.00873	3.6
99.04537	1.2
101.02444	26.8
101.03108	1.5
103.04018	5.3
109.02978	1.5
113.02449	16.5
116.92834	0.9
119.03498	5.8
121.02992	1.9
123.04530	1.3
125.02447	1.6
129.01953	1.3
129.09242	1.8
131.03493	1.3
136.05328	1.9
143.02580	0.7
143.03551	2.4
151.02736	3.3
152.99615	0.8
153.01996	1.1
159.03032	2.9
161.04553	19.6
166.05090	55.2
167.03487	1.1
167.05478	1.2
179.05669	3.1
184.83699	0.8
191.02081	1.2
194.41153	0.7
208.06239	1.8
229.14529	2.6
234.52731	0.7
255.19810	2.7
265.09415	3.0
273.20868	1.3
274.20560	0.7
315.08704	1.0
391.23410	2.1
417.24942	72.3
418.25284	4.0
435.26251	3.0
477.23566	13.0
477.28104	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14613	0.7
57.03435	2.4
58.04633	0.7
59.01381	100.0
60.01750	0.7
61.98826	6.8
65.88248	0.8
71.01382	14.7
71.02573	0.9
71.02892	1.0
72.99297	1.0
73.02950	5.6
74.02474	1.2
83.01379	1.9
85.02951	14.4
87.00881	1.1
89.02439	5.3
99.00919	1.1
99.04522	1.3
101.02441	9.5
103.03999	1.5
111.00892	1.6
113.02445	7.8
115.04021	0.8
119.03487	1.8
121.02919	1.4
123.04479	1.2
129.01944	2.7
141.09241	0.8
153.65669	0.9
155.45128	0.8
161.04520	2.4
181.01422	1.2
181.05212	0.9
188.96880	0.8
191.01950	1.3
197.11777	3.5
230.84612	0.9
255.16000	3.6
265.09119	0.9
333.15555	1.0
373.22382	5.2
391.23334	10.9
392.23932	1.2
392.80307	0.9
407.07443	0.9
417.25092	1.6
417.63052	1.1
433.25000	6.5
477.18130	7.9
477.23721	4.3
478.26666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89762	1.0
57.03442	3.2
59.01379	100.0
61.98829	26.2
69.54105	0.9
69.81647	4.8
71.01381	17.7
72.82954	1.0
72.99302	1.0
73.02945	14.3
77.36890	0.9
79.87008	0.8
83.01376	5.1
85.02940	9.5
87.00912	1.5
89.02445	9.0
95.01380	1.5
96.96013	0.9
99.00885	2.3
99.04529	3.5
100.04817	1.1
101.02440	15.7
103.04012	2.2
107.05035	2.6
111.00925	0.9
113.02455	6.9
119.03519	4.4
120.03815	1.0
120.99654	0.9
125.02435	2.6
131.03458	1.1
143.03470	1.4
161.04570	3.5
167.03491	2.0
179.05650	1.3
199.09778	0.9
211.13376	2.4
229.10699	1.4
229.14482	1.4
244.36754	0.9
265.09348	2.3
271.02356	5.8
282.01315	1.2
299.02026	11.9
300.02859	1.4
314.04254	2.5
315.08755	1.3
373.18515	2.2
391.19571	3.7
415.19553	4.1
417.24557	3.2
433.20770	71.9
434.20901	4.6
477.10229	11.8
477.20584	8.5
477.30701	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	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55880	1.9
55.01874	3.7
57.03443	10.9
58.00596	2.1
58.04942	2.5
59.01377	100.0
61.98846	10.3
70.87547	3.3
70.87876	2.9
71.01381	68.5
71.01775	3.6
71.05024	4.9
72.99311	5.8
73.02937	24.5
75.00880	7.0
75.78559	1.7
75.87363	2.2
81.03466	2.0
83.01376	11.1
85.02953	71.7
85.03466	3.7
87.00880	10.0
89.02444	21.9
91.71585	2.2
95.01385	5.1
96.95983	6.8
97.02954	3.5
97.06582	6.1
99.00875	11.0
99.04517	36.1
101.02437	36.4
103.04011	3.9
108.02184	2.6
109.02940	2.7
109.06573	4.0
111.04511	6.2
111.94001	2.0
113.02436	24.8
113.06079	8.9
119.03493	8.6
121.02964	5.1
121.06593	2.4
121.37087	2.1
122.03743	10.9
122.06100	4.9
123.04532	6.3
123.06431	2.7
123.08150	3.1
125.06117	3.3
129.01936	3.3
135.04494	4.2
135.08147	3.9
136.05199	3.3
137.06070	3.9
137.09711	9.6
138.05583	9.1
139.04039	14.0
139.07648	4.4
141.05589	7.4
143.03519	2.4
147.08167	4.7
149.06081	4.0
149.09714	2.8
150.03203	3.8
150.05617	2.2
150.06798	2.9
151.07637	11.7
153.05583	3.3
153.09250	4.8
155.07152	8.1
157.45010	2.0
159.03055	4.6
161.04562	41.2
161.05986	6.1
161.09746	5.0
163.07628	4.2
165.05542	4.5
165.09190	47.8
166.05077	3.3
167.05475	2.2
167.07101	6.8
169.08691	6.1
175.07535	3.2
175.11275	8.6
177.09215	18.3
179.05618	4.7
179.07121	6.7
179.10742	8.5
181.07176	2.4
181.08682	6.5
184.06131	3.5
189.09247	6.2
191.10768	2.9
193.05057	7.5
193.08725	4.3
195.10220	2.6
201.09193	5.0
204.07974	5.0
207.10234	20.4
209.02975	3.2
211.09714	2.2
219.10243	78.9
226.07138	2.5
237.11296	63.0
249.09805	4.6
255.12343	79.2
256.12781	2.6
265.09109	2.8
287.10245	2.6
341.10504	2.8
396.59573	2.1
417.17520	15.4
433.15625	6.0
477.14066	18.9
477.19910	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	476.2781
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.68784	0.3
59.01376	0.7
61.98830	1.3
64.18525	0.2
69.18590	0.2
69.49965	0.2
78.95905	5.9
83.01564	0.3
140.01199	1.6
152.99564	0.8
171.00610	0.8
196.03787	1.2
214.04871	2.5
261.22278	0.6
279.23276	100.0
280.23630	5.1
336.18951	0.3
462.45081	0.3
476.27808	13.9
477.27982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
57.33207	0.6
59.01380	17.0
60.01736	0.7
60.99307	12.6
61.98840	3.8
62.21222	0.6
70.80367	1.5
71.01389	5.3
72.99293	0.6
73.02951	0.9
75.86698	0.6
76.02645	0.8
81.03454	0.7
82.72806	0.6
85.02950	2.0
87.00880	1.5
88.98806	100.0
89.02445	9.3
93.03451	1.4
96.96017	0.9
99.97919	0.7
101.02444	2.5
113.02442	1.5
119.03542	0.8
123.04525	8.6
129.01958	0.8
134.03793	3.3
134.06113	0.8
135.04543	1.2
137.02394	0.9
144.92642	0.7
149.04384	0.7
149.06143	0.8
150.03229	1.7
151.04004	1.6
165.05536	4.8
169.12334	2.0
178.02705	1.4
193.05086	4.7
195.06618	0.8
197.11845	2.3
229.08151	0.8
265.09109	0.7
271.09811	2.0
297.11456	0.9
389.12332	2.2
417.24817	1.4
477.13989	6.2
477.19003	4.1
477.23483	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52756	0.6
55.01875	0.7
57.03448	34.0
58.00584	1.1
59.01379	100.0
60.01699	0.9
61.98830	4.2
62.48617	0.7
66.55305	0.6
69.71634	4.0
71.01377	25.0
72.99315	1.4
73.02940	5.5
81.97240	0.6
83.01396	1.9
83.04982	0.9
85.02949	11.5
87.00871	1.4
89.02443	23.1
95.01408	2.5
96.95981	0.7
98.95631	0.9
99.00874	1.3
99.04520	26.4
101.02441	21.8
103.00364	0.9
103.04005	3.4
112.54671	0.7
113.02457	10.8
119.03503	8.2
120.21813	0.6
125.02439	8.5
129.01979	2.4
131.03552	0.9
143.03523	3.8
147.03026	4.1
161.04561	7.4
179.05627	6.1
184.30188	0.7
227.12831	1.5
243.90321	0.7
249.13269	0.9
251.12900	1.1
260.25583	0.6
261.65289	0.7
265.09348	2.2
275.58167	0.6
301.47067	0.6
313.05984	0.7
331.17667	2.7
373.18790	1.2
415.23376	49.7
416.23724	2.4
475.13651	5.2
475.21902	13.2
476.22821	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2779
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
51.71723	0.4
61.98821	0.5
69.62505	0.7
69.62915	1.1
78.95901	100.0
83.65461	0.3
88.28427	0.4
94.84567	0.4
96.96959	8.7
112.07389	0.3
140.01158	0.6
150.98080	0.5
152.98610	0.4
152.99576	18.8
171.00633	20.3
171.91566	0.4
187.12273	0.4
213.98723	0.4
221.79829	0.3
252.28551	0.4
271.82300	0.4
328.65723	0.3
355.40811	0.3
402.24109	1.9
476.27798	67.8
477.28036	4.8
498.71594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
55.84828	0.5
57.03442	1.5
58.00596	0.5
59.01379	100.0
60.01723	0.9
61.98825	5.2
63.47428	0.5
69.40866	0.9
69.41274	2.6
71.01382	8.1
72.99315	0.6
73.02948	2.6
83.01389	1.2
85.02951	4.9
87.00900	0.8
88.98827	0.5
89.02440	3.6
95.01389	0.9
97.02953	0.4
99.00889	1.2
99.04543	1.4
101.02435	5.7
104.85958	0.4
113.02441	4.0
119.03535	1.7
129.01938	0.9
143.03458	0.8
147.03018	0.4
148.05318	1.1
149.05624	0.8
159.02971	0.7
161.04536	6.4
163.07683	1.0
163.31725	0.4
164.08038	0.6
165.89334	0.4
179.05688	1.3
191.02031	1.2
209.11810	0.5
235.17075	0.5
253.18147	0.7
345.19144	3.4
371.22379	0.5
415.23483	9.9
416.23590	0.9
433.24695	0.9
475.22852	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46494	3.5
59.01360	11.8
61.98820	8.7
71.01395	16.9
92.29930	3.2
95.01392	3.3
98.20755	3.8
101.02457	7.9
106.13085	3.1
106.28132	2.9
113.02443	8.3
133.10281	3.9
159.92595	3.1
161.04646	3.6
169.02879	3.0
277.21713	100.0
278.22116	5.6
298.74554	3.1
314.37726	3.5
319.22830	21.3
349.23624	7.7
475.26831	12.1
475.37494	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	475.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
56.10400	0.8
57.03437	1.2
59.01380	100.0
61.98820	4.2
64.74546	1.0
69.71815	5.8
71.01382	11.7
72.99300	1.2
73.02947	7.1
83.01386	2.2
85.02945	10.6
86.03313	1.1
87.00871	7.3
88.98819	1.9
89.02437	6.0
95.01371	1.2
98.20065	2.2
98.20636	1.7
99.00899	1.1
101.02442	12.0
102.98591	3.5
103.03995	1.2
111.00828	1.0
113.02437	6.7
119.03485	2.4
129.01895	1.1
143.03429	1.5
151.84248	1.2
159.03044	1.0
161.04568	5.0
167.78769	1.0
225.05896	1.6
229.05112	1.1
239.08006	1.0
242.94537	1.0
265.09277	2.2
283.04861	5.7
307.24167	1.0
318.81146	1.1
371.20804	2.9
386.25446	1.0
389.21863	7.4
415.23376	7.4
431.22873	4.1
475.22018	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	475.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06184	0.3
56.68503	0.3
57.03450	3.5
58.00597	0.7
59.01379	10.4
59.42988	0.4
61.98819	0.4
71.01385	5.6
72.64458	0.3
72.99297	0.4
73.02946	2.1
77.47437	0.3
83.01411	0.6
85.02454	0.6
85.02953	10.3
87.00871	0.9
87.04543	0.3
89.02450	2.2
97.06604	0.5
99.04533	0.4
101.02442	3.8
103.04012	26.7
104.04377	0.3
110.88064	0.3
111.08182	0.8
113.02449	1.8
113.33124	0.4
117.05589	0.5
119.03484	0.8
125.02480	0.5
128.06030	0.4
145.05037	1.1
157.05086	0.6
165.12851	16.6
166.13264	0.4
167.14410	0.9
183.13898	48.6
184.14258	1.5
191.10654	0.5
195.13919	0.7
197.15468	11.1
207.13879	2.8
209.11816	5.4
225.14955	4.1
226.15332	0.4
227.12878	34.9
228.13214	1.3
241.14371	0.9
247.08275	1.3
251.12883	3.0
265.09286	9.8
269.13959	4.5
293.13770	0.5
299.15012	1.0
311.15033	0.3
316.75787	0.3
329.16022	3.6
371.17642	0.4
389.18103	4.8
391.66843	0.5
431.22812	2.6
457.20795	7.8
458.21182	0.5
475.21826	100.0
476.22244	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	475.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.9
59.01379	100.0
60.01717	1.3
61.98819	4.2
68.60993	1.0
68.73850	1.1
69.28136	8.9
71.01380	14.4
73.02945	3.7
83.01376	3.3
85.02950	8.1
87.00872	1.8
89.02469	6.3
89.02927	1.2
95.01408	1.1
97.02920	1.2
99.00883	1.1
100.97531	1.1
101.02444	10.9
103.04033	2.1
113.02451	10.1
119.03522	2.3
119.05016	1.4
142.47081	1.0
143.03526	1.2
149.06136	1.2
151.00378	1.5
161.04538	3.6
179.05606	3.3
191.38287	1.0
225.05452	1.1
227.07092	6.1
239.16299	1.0
257.32727	1.2
271.06165	2.5
271.09698	2.3
371.20667	20.5
385.31802	1.2
389.21802	9.7
415.23541	10.1
431.23041	3.8
475.21967	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03445	2.4
59.01379	100.0
60.01704	1.5
61.98830	4.8
69.03457	1.0
71.01384	24.0
71.05045	0.8
71.54562	1.0
72.01234	0.7
72.99312	2.2
73.02945	13.1
83.01385	5.1
83.05027	0.9
85.02953	13.7
87.00878	2.1
87.04531	1.8
89.02448	13.2
95.01367	1.5
97.02915	1.3
97.10024	0.8
99.00909	1.0
99.04509	1.2
101.02441	16.3
103.04025	3.3
104.54864	0.8
113.02455	12.5
119.03537	4.6
121.02919	1.1
123.08098	0.9
125.02448	1.7
127.07661	1.4
129.01952	1.8
131.03491	1.7
135.98349	1.8
137.80875	0.7
143.03481	1.8
146.40804	0.8
147.03035	2.0
149.04506	0.9
153.05714	0.8
159.02911	1.0
161.04547	6.9
165.09186	0.8
179.05612	2.1
183.10338	1.4
191.01955	1.5
197.04533	1.0
227.07156	8.1
227.09273	1.3
227.12787	1.2
248.84105	0.9
251.12938	0.8
253.14418	1.1
265.09351	2.6
271.19098	1.1
295.15448	2.2
303.14514	1.6
327.18094	0.8
371.20624	4.8
389.21918	3.5
415.23334	15.7
431.18439	1.4
431.23123	2.1
433.24402	3.1
475.16608	1.2
475.22501	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58968	0.6
54.28817	0.6
57.03445	1.6
59.01379	61.3
60.92260	0.7
60.99303	13.3
61.98828	7.8
69.03425	0.7
71.01381	12.2
71.53996	1.1
72.99310	1.8
73.02937	3.9
75.00874	0.7
80.62746	0.7
83.01381	2.0
84.02151	0.6
85.02945	8.9
87.00880	2.9
88.98806	100.0
89.02443	12.1
96.96015	2.1
99.00903	1.5
99.04496	1.0
101.02445	7.9
103.04034	1.5
109.02945	0.9
111.00840	0.8
111.02014	1.1
113.02431	4.9
113.78669	0.7
115.00349	0.7
119.03515	2.3
119.05029	2.8
121.02953	2.7
123.04490	0.7
125.02448	1.0
129.01964	1.0
135.04552	3.2
137.02377	0.8
143.03522	0.8
147.02994	1.6
149.02454	1.0
153.05573	0.8
161.04558	5.2
163.03989	1.2
175.29544	0.6
177.05588	0.6
179.05647	1.5
189.05533	0.9
191.01974	1.6
197.04471	1.2
199.09091	0.7
221.04472	0.7
265.09207	1.6
269.08218	1.2
271.19220	0.8
281.06720	0.7
295.15396	2.9
313.07010	0.7
359.10876	1.2
415.23450	10.8
416.23822	0.8
431.19019	0.9
475.22287	10.6
481.76300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.2
60.99302	11.8
61.98823	0.8
64.80761	0.4
71.01390	2.5
71.01727	0.5
73.02953	1.1
85.02956	2.0
87.00877	0.8
88.00402	0.9
88.98806	100.0
89.02441	7.8
89.99181	1.0
96.96018	0.6
101.02451	1.7
113.02428	1.1
119.03497	0.7
121.02941	0.6
135.04572	0.6
161.04521	0.6
165.03992	0.5
200.02248	0.5
475.12180	0.9
475.17755	0.7
475.22876	0.7
476.25192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60770	0.4
51.95454	0.4
57.03419	0.5
59.01381	11.6
59.01685	0.6
60.99305	13.2
61.98825	0.8
71.01031	0.6
71.01367	3.3
71.54152	0.6
71.54913	0.5
72.28610	0.4
73.02934	0.9
85.02953	1.8
87.00878	1.6
88.98804	100.0
89.02436	8.2
89.99147	0.5
93.17076	0.4
95.01349	0.5
96.96014	0.7
97.03001	0.5
101.02442	1.9
105.01894	0.4
109.02980	0.5
113.02456	1.6
119.03474	0.6
121.02948	0.5
121.12223	0.4
121.67445	0.4
125.02411	0.4
143.03583	0.4
147.03043	0.8
161.04530	0.5
165.04053	0.6
181.01483	0.4
191.01834	0.5
228.09114	0.4
244.90453	0.5
265.09402	0.6
372.62881	0.5
396.48074	0.4
415.23431	0.7
416.24652	0.5
445.16953	0.6
450.35556	0.4
475.12280	0.8
475.18427	1.4
476.16827	0.5
476.25418	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62825	1.2
55.01851	1.2
57.03449	2.4
59.01381	64.9
59.80167	1.1
61.98833	11.2
63.42931	1.4
66.64777	1.0
69.03438	2.0
69.07330	1.1
71.01378	21.9
72.99310	1.7
73.02954	8.7
83.01387	3.8
83.05037	1.7
85.02943	12.3
87.00866	3.0
89.02451	6.0
95.01375	1.7
96.95978	2.2
97.06580	1.3
99.00890	2.4
99.04530	2.0
101.02443	14.8
103.04009	1.7
110.36106	1.0
111.08119	1.5
113.02454	7.9
119.03478	2.0
125.02467	1.8
131.94144	1.1
143.03491	1.4
161.04562	5.7
163.15961	1.1
165.12840	24.5
183.13882	74.2
184.14207	1.8
191.01988	2.0
195.13895	5.1
207.13837	2.8
209.11824	11.7
211.07623	10.2
225.14926	2.2
227.12885	100.0
228.13242	3.0
233.04398	1.1
251.12907	2.7
265.09204	1.4
269.13913	2.3
292.92633	1.4
414.94846	1.3
415.23151	6.8
431.19116	2.8
433.24292	4.8
466.87378	1.3
475.19940	13.0
475.25616	32.1
475.32971	2.9
476.26245	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	475.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
56.22058	0.4
57.03424	0.8
59.01377	33.5
60.01718	0.5
60.18412	0.4
61.98818	2.1
63.06301	0.4
65.81624	0.5
71.01382	12.1
72.99300	0.6
73.02947	1.8
74.37992	0.5
74.53452	0.4
76.64194	0.4
81.31004	0.4
83.01380	1.3
85.02934	5.5
85.23983	0.5
87.00876	2.9
88.00429	0.4
88.98796	0.6
89.01930	0.8
89.02444	8.8
94.87698	0.5
95.01388	1.3
97.29730	0.4
98.19885	1.0
99.00839	0.6
101.02435	7.9
103.04025	0.7
104.05058	1.9
106.06622	2.4
113.02454	4.4
119.03496	3.2
122.06095	0.7
134.06120	21.2
135.04558	0.6
148.04044	24.5
149.04401	0.8
152.07123	1.1
152.39854	0.5
160.04034	9.9
161.04614	1.6
174.05588	5.3
179.07141	1.4
193.03613	0.5
265.06171	0.5
265.09183	0.9
267.11353	7.8
279.07846	0.5
295.10861	37.8
296.11157	2.1
313.12149	0.5
415.23410	6.1
447.17685	1.7
475.17105	100.0
476.17471	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	475.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
69.33998	2.8
69.34398	5.6
71.01383	16.2
72.01659	1.0
72.99310	7.1
74.30012	1.0
74.97946	1.0
78.32212	1.2
89.02433	4.7
106.85497	1.2
109.97724	1.1
115.00370	37.6
132.02986	1.9
132.06667	1.9
133.01430	100.0
133.05049	4.5
158.61575	1.1
184.04680	1.2
198.41568	1.0
209.65309	1.4
290.46100	1.2
304.19901	1.3
341.10907	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	475.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.4
66.06251	1.1
71.01383	15.4
71.52258	1.3
72.99320	3.6
86.92570	1.1
88.04077	1.4
89.02454	3.2
100.37015	1.1
115.00376	39.3
132.03053	3.0
133.01430	100.0
133.05084	9.6
135.33670	1.2
151.81841	1.1
167.00641	1.3
259.04495	1.2
435.59387	1.2
484.95953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1244
Annotation	Naringenin 7-O-beta-D-glucoside 6''-acetate
Peak:m/z	Relative Intensity
55.01875	0.6
57.03441	1.1
59.01376	34.3
60.01705	0.3
61.01788	0.4
61.98831	4.9
63.02397	2.1
63.33596	0.4
65.00316	5.6
70.23054	0.3
70.97643	0.3
71.01377	7.1
72.99310	0.6
73.02947	2.3
75.00865	3.1
81.03481	0.4
83.01379	4.2
85.02947	6.1
87.00880	0.7
89.02448	6.1
93.03452	7.7
95.01378	0.5
96.96026	0.4
97.00529	0.4
99.00893	0.5
101.02450	5.3
103.03992	1.7
107.01382	11.5
108.02193	0.5
109.02953	0.5
113.02438	2.9
115.04069	0.3
119.03493	2.3
119.05022	29.7
120.05351	0.7
121.02927	0.7
125.02421	1.6
129.01926	0.7
129.20546	0.3
135.98311	0.4
136.01677	0.4
137.06039	0.5
143.03514	0.8
145.02966	0.8
147.03050	0.4
149.04561	0.4
151.00360	38.0
152.00751	0.6
161.04547	1.9
161.05956	0.7
165.01895	2.4
169.01427	1.0
175.00395	0.7
177.01927	5.9
177.93556	0.3
179.05592	2.6
185.06068	0.5
191.01942	1.6
193.01355	0.6
198.59499	0.4
209.06079	0.6
210.06833	5.9
211.04004	1.3
211.07585	2.9
225.09241	0.4
227.07175	0.9
227.12712	0.4
229.04926	0.5
238.06375	1.6
247.70938	0.4
250.06213	0.5
253.05061	1.0
253.08731	1.2
254.05794	0.6
265.09293	1.6
266.05823	0.7
269.08102	0.4
271.06094	100.0
272.06458	4.8
278.05829	1.0
279.06494	1.0
281.04529	1.2
281.08115	0.5
282.05322	2.0
293.08139	1.2
294.05286	0.8
294.08759	0.7
295.06088	0.6
296.06885	1.7
297.07648	4.5
309.07660	3.9
311.09396	2.0
312.09991	4.3
313.07220	1.7
313.10474	0.5
324.09967	1.5
326.11682	0.5
327.12396	3.2
330.67191	0.4
337.06937	0.5
339.08609	0.6
339.12387	1.2
352.09393	0.4
353.06482	0.5
355.08163	0.8
358.41092	0.4
370.10635	1.0
371.11368	3.2
383.11349	5.4
384.11792	0.4
385.19415	0.4
415.14322	3.7
415.23334	7.5
431.13632	0.5
433.24329	0.5
445.15063	3.3
475.16071	6.2
475.22141	4.3
476.15964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41644	0.3
59.01384	1.9
59.82593	0.3
61.98817	1.0
66.30839	0.3
78.95903	30.7
83.05028	0.3
96.61796	0.3
96.96949	2.1
98.20708	0.4
122.00143	0.4
130.87070	0.3
131.80191	0.3
140.01208	3.1
145.52225	0.3
152.92960	0.3
152.99583	4.6
170.99236	0.5
171.00635	5.2
196.03799	1.1
214.04855	2.9
233.22687	0.4
254.57770	0.3
259.20721	0.6
276.95569	0.3
277.21707	100.0
278.22073	5.1
353.78018	0.3
400.22549	0.4
431.24182	0.3
457.26080	1.4
474.26230	23.4
475.26767	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	474.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.8
61.98828	100.0
69.18539	5.5
71.01403	0.7
98.20586	1.5
148.05304	22.4
160.59375	0.6
163.07637	32.3
164.07939	0.9
314.84726	0.5
388.77921	0.5
427.33896	0.6
474.25018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.2
60.01699	0.6
61.98823	1.5
64.25095	0.5
69.40842	0.4
71.01532	0.5
78.95903	100.0
86.58250	0.5
96.96964	9.0
98.20021	0.6
140.01146	1.1
141.99493	0.5
152.98383	1.0
152.99585	15.9
171.00641	19.9
196.03854	1.0
208.68927	0.4
214.04764	0.8
277.21719	7.7
278.21964	0.5
294.21396	0.5
315.98138	0.5
337.21481	0.6
400.22397	2.4
414.27673	0.5
464.82651	0.5
474.26239	65.8
475.26614	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	473.2913
Annotation	CHEBI:68045
Peak:m/z	Relative Intensity
52.97480	0.0
57.03453	1.3
59.01382	4.0
61.98832	0.1
69.03459	1.0
71.01384	0.4
71.05014	0.1
72.99309	1.1
79.05509	0.1
81.07089	0.1
83.05031	0.8
84.02164	0.2
84.96364	0.1
85.02957	0.6
87.00885	1.0
87.04517	2.6
88.01203	0.1
89.01289	0.0
95.05025	0.2
97.02956	0.1
97.06606	0.4
101.06080	0.1
107.05077	0.1
107.08662	0.1
109.06599	0.4
110.03726	0.1
111.08150	0.1
113.06095	0.1
115.07635	0.1
119.08594	0.1
121.06618	0.1
121.10222	0.2
123.08183	0.4
133.10233	0.2
135.08183	0.2
137.09686	0.2
149.09694	0.2
151.11285	2.8
152.11642	0.1
161.13280	0.1
161.70827	0.1
163.11340	0.1
165.12811	0.1
175.11287	0.2
177.12845	0.3
187.11194	0.1
189.12805	0.1
191.14378	0.1
203.14406	0.5
213.12917	0.1
215.14421	0.1
217.15913	0.1
231.13872	0.1
231.17580	0.1
233.15463	0.3
239.18106	0.1
241.19672	0.1
243.17618	0.1
257.19193	0.1
259.20667	0.2
261.18484	0.3
271.20581	0.2
273.18640	0.2
273.22260	0.1
278.15265	0.1
279.15970	1.1
280.16132	0.1
285.22195	0.1
287.20422	0.1
297.22357	0.1
299.23657	0.1
315.23212	0.3
319.24133	0.1
323.23691	0.4
327.26834	0.3
335.23907	0.1
337.25400	0.8
339.23254	0.2
339.26877	0.3
341.24814	0.4
341.28473	0.1
349.25250	0.2
353.24948	0.2
355.26431	1.4
356.26645	0.1
357.28006	0.4
365.24841	0.2
367.26483	1.4
371.25760	0.1
377.85565	0.1
379.26291	0.2
382.24933	0.1
383.25897	1.0
384.26193	0.1
385.27481	4.8
386.27719	0.4
395.25919	0.2
397.27542	0.1
399.25507	0.1
409.27560	0.1
411.25391	0.1
413.27005	1.7
414.26886	0.1
425.26932	1.0
426.27316	0.1
427.28622	0.8
431.27722	0.7
437.26779	0.1
455.28055	0.3
471.27481	0.3
473.29034	100.0
474.29419	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	473.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
57.03443	0.7
59.01379	100.0
60.01716	0.8
61.98835	1.1
69.22381	3.8
71.01387	8.4
73.02946	3.7
83.01395	1.1
85.02949	6.1
87.00926	0.6
89.02473	1.6
89.81872	0.4
98.20663	0.9
99.00905	0.7
101.02433	7.6
113.02435	4.2
119.03486	0.9
143.03502	0.7
159.03078	0.7
161.04549	9.7
179.05585	0.7
269.17740	0.5
274.13202	0.5
413.21799	14.4
413.27115	0.9
414.22333	1.0
457.20950	1.7
473.25095	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	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95431	0.3
51.04560	0.3
57.03449	0.6
59.01377	100.0
59.97568	0.3
60.01727	0.5
61.98832	1.7
71.01375	3.0
71.42065	0.6
72.99342	0.4
73.02521	0.3
73.02952	1.4
74.76118	0.3
78.04954	0.4
83.01434	0.4
85.02948	2.3
87.00879	0.3
89.02455	1.5
96.96023	1.0
97.02971	0.3
99.00881	0.5
101.02430	2.2
103.04002	0.4
113.02473	1.5
115.53278	0.3
119.03478	0.5
147.03001	0.3
161.04588	1.4
179.05748	0.4
191.01994	1.0
227.07185	0.3
230.77713	0.4
231.10254	0.3
269.08154	3.0
353.19812	1.9
371.21042	0.9
397.53055	0.3
413.21841	3.9
431.22733	0.5
443.94708	0.4
473.26053	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86836	0.3
57.03451	3.8
58.00598	1.0
59.01380	15.4
61.98830	2.5
67.01855	0.3
69.03478	0.5
70.97315	0.3
71.01385	7.9
71.54312	0.4
72.99311	0.8
73.02944	8.5
75.00882	0.4
78.64237	0.3
81.03493	0.4
83.01385	1.0
83.05026	0.6
84.43784	0.4
85.02950	13.5
87.00873	1.6
87.04512	3.0
89.02457	1.5
95.05017	0.8
96.58604	0.3
97.02947	1.6
99.00908	0.6
99.04527	1.4
101.02445	4.3
101.06089	0.6
103.04012	28.4
104.04324	0.5
107.05008	0.5
107.08659	0.5
109.06587	1.8
111.04499	0.5
111.08166	1.0
113.02452	2.5
117.05535	0.4
119.03526	0.7
119.04997	0.4
121.02981	1.4
121.06582	0.3
123.04538	0.7
125.02464	0.6
143.03467	0.5
145.04971	0.6
145.10283	0.4
161.04590	0.8
161.09698	0.4
161.13387	0.4
163.11292	8.1
166.10019	0.3
177.12831	1.1
181.12340	51.2
182.12656	1.7
195.13895	5.7
205.12311	0.9
207.10243	4.5
221.09842	0.4
223.13345	3.0
225.11316	34.0
226.11658	1.4
231.10133	0.5
239.12869	2.0
247.08200	0.8
249.11275	0.9
251.16554	0.7
252.19334	0.4
265.09222	1.8
267.12369	11.2
291.12402	0.8
297.13528	1.5
313.07004	0.4
327.14453	6.2
345.26288	0.3
369.15286	0.5
387.16516	4.8
401.08627	0.6
413.21689	0.5
429.21127	3.9
437.82501	0.4
455.19174	8.9
456.19342	0.5
473.20190	100.0
474.20609	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31257	3.6
57.03448	3.5
59.01380	100.0
69.32912	7.1
69.33319	18.7
71.01389	22.9
73.02948	11.2
78.52872	2.9
85.02948	16.7
89.02440	18.8
89.45553	3.1
93.90710	3.1
96.83716	3.2
101.02426	17.2
113.02431	11.9
115.05567	3.7
119.03471	5.7
150.03215	2.9
157.44772	3.2
161.04549	3.3
165.05557	6.0
225.15025	7.1
251.07689	6.5
369.19214	25.0
387.20300	36.7
388.20636	3.3
413.21704	7.3
429.21429	16.8
473.15695	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.9
58.00595	0.8
59.01380	15.1
61.98817	1.5
69.03432	0.9
69.18561	6.0
71.01380	7.5
73.02943	7.2
75.00896	0.6
75.95467	0.5
79.54018	0.5
82.52265	0.6
85.02947	13.5
87.00846	0.7
87.04522	2.7
89.02436	1.5
94.58439	0.5
95.01386	0.8
95.05026	1.3
97.02963	1.5
99.04435	0.6
101.02438	4.0
103.04013	29.0
107.05051	0.6
109.06593	1.8
111.08141	1.6
113.02456	2.0
113.06133	0.6
121.02940	1.1
137.09682	0.8
145.05017	0.7
161.09651	0.8
163.11278	7.7
177.12863	0.9
181.12334	47.0
182.12585	1.7
195.13873	5.5
207.10178	2.9
221.40390	0.5
223.13344	3.6
225.11311	35.0
226.11575	1.1
235.90126	0.6
239.12834	2.0
249.11252	0.8
251.16379	0.7
254.57346	0.5
265.09348	1.9
267.12369	9.0
268.12662	0.6
291.12283	0.9
297.13351	1.2
327.14413	5.4
387.16476	4.5
429.21188	4.4
455.19168	9.6
456.19333	0.9
473.20184	100.0
474.20538	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	473.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
57.03449	29.2
58.00570	0.7
59.01380	100.0
60.01710	0.8
61.98822	6.7
71.01014	1.2
71.01382	18.8
71.05009	1.2
71.54474	1.4
72.69889	0.9
72.99265	1.6
73.02940	8.0
79.95725	3.2
80.96503	1.0
81.03438	1.2
83.01366	3.9
83.05051	0.9
85.02951	12.2
88.98773	1.5
89.01949	0.9
89.02446	12.2
90.66531	1.0
95.01356	1.5
96.96011	28.6
97.02898	1.4
99.00880	1.6
99.04519	20.9
101.02444	21.8
103.04020	6.2
109.06631	0.8
113.01868	0.8
113.02448	9.3
119.03513	4.7
119.05013	1.5
121.02991	0.9
123.04517	0.9
125.02411	3.4
129.01935	2.2
131.03568	1.3
135.04485	1.1
137.09677	1.7
143.03433	1.6
147.02971	3.4
151.11334	0.9
159.02925	1.1
161.02499	1.4
161.04549	16.7
163.07588	1.7
179.05557	2.1
181.08641	1.3
191.01921	1.5
207.06535	1.0
209.08115	1.2
225.07639	1.2
225.11208	0.9
249.13374	7.6
251.07663	1.9
251.16554	1.1
265.09280	8.8
269.17548	1.1
272.57645	0.8
307.10004	1.4
311.07950	3.3
329.09094	10.5
369.19196	1.3
371.10080	1.4
387.20264	4.9
411.13177	3.5
413.10910	1.9
413.21979	5.2
429.21274	2.7
431.22803	1.7
437.16565	1.8
455.14941	1.7
473.13190	94.1
474.13168	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	473.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46937	0.5
55.95556	0.4
57.03448	28.4
59.01379	30.4
59.14467	0.5
61.98824	3.2
69.83732	0.9
69.84140	1.2
71.01382	6.5
71.04982	0.4
72.99286	0.5
73.02938	3.5
76.90780	0.4
79.95734	5.0
80.96502	1.3
81.03436	0.8
83.01372	1.7
84.02158	0.5
85.02946	7.6
87.00865	1.0
89.02444	4.8
96.96011	29.8
99.00877	1.0
99.04519	21.3
101.01806	0.9
101.02442	14.6
101.06034	0.6
103.04009	3.7
113.02458	4.5
119.03506	1.1
119.05013	1.2
121.02898	0.8
121.06603	0.8
123.04480	0.5
125.02468	3.5
127.04027	0.6
129.01909	1.0
135.08238	0.6
141.05275	0.5
141.81367	0.4
143.03455	1.1
149.99565	0.9
161.04546	14.4
163.03993	0.8
163.07600	1.5
164.98613	1.2
165.01909	0.4
168.00598	0.9
169.08525	0.5
174.25922	0.5
178.29230	0.5
179.05589	1.0
181.08652	0.9
197.04558	0.9
241.00087	0.5
249.13400	6.9
251.07533	1.3
265.09250	5.8
286.02969	0.5
293.14139	0.5
311.08069	3.3
329.09082	9.9
330.09271	0.6
371.10193	1.1
393.17758	0.9
411.13181	3.7
413.11197	1.8
413.21741	2.0
429.17523	0.9
431.22894	0.5
455.15579	1.1
473.13193	100.0
474.13525	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	473.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
57.03430	2.1
59.01379	100.0
61.98831	14.3
62.30262	1.0
64.96722	1.0
69.03453	1.8
71.01381	13.4
72.99301	1.2
73.02950	1.7
75.00876	1.1
77.09377	1.0
83.01382	2.5
85.02948	9.1
87.00883	1.6
89.02451	7.0
93.03413	1.5
96.95998	2.9
97.02919	3.4
98.95571	1.1
99.04519	2.0
101.02455	7.9
108.02182	1.6
109.02950	34.5
109.57279	1.0
111.00869	2.2
113.02417	4.4
115.92061	2.3
116.92824	2.2
119.03480	2.6
119.05001	1.3
120.12872	0.9
121.02940	4.7
123.04506	1.7
124.01690	1.2
125.02408	4.0
129.01936	5.5
132.24516	1.0
133.02975	1.6
133.52469	1.1
134.03723	1.7
135.04520	46.1
136.04840	1.6
139.03978	2.9
143.04991	1.1
145.02945	2.5
147.02979	2.6
147.04478	3.8
149.02440	6.1
149.06055	3.2
153.01978	6.7
153.05569	1.0
158.03780	1.1
159.04506	2.0
161.02400	3.6
161.04611	2.6
161.06059	1.9
162.03166	3.2
163.04018	19.4
165.05501	1.7
171.03104	1.6
171.04509	2.6
173.02370	2.0
173.06078	3.4
174.03215	2.5
175.03983	13.1
175.07657	1.3
176.04765	10.5
177.05653	5.3
179.03493	5.7
188.04707	3.4
189.02005	1.2
189.05574	16.7
190.02690	9.8
191.03496	29.2
191.07108	2.4
194.05858	2.1
195.06689	1.3
196.08246	1.1
201.05487	5.2
203.07175	3.1
205.05032	3.0
209.08141	5.5
216.04330	1.3
217.04942	1.4
219.03021	20.5
219.06583	28.5
220.06767	1.3
221.04657	1.6
227.03143	1.2
231.06609	7.8
233.04575	11.9
245.04543	3.5
249.07718	7.8
251.05652	1.4
255.10153	5.6
263.05563	17.5
275.05627	13.1
276.06186	1.3
293.06650	57.3
294.07138	2.0
343.08420	1.2
359.11041	1.7
413.22351	2.2
416.38257	1.3
473.12939	84.5
474.13351	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72196	0.7
55.01872	1.1
57.25772	0.8
59.01382	10.3
66.55269	0.7
66.81996	0.7
68.20863	0.7
71.01383	14.1
75.00873	10.0
83.01389	14.9
85.02933	2.1
85.12041	0.7
87.00878	0.8
89.02434	5.0
95.01405	0.9
97.02899	0.8
98.20373	1.1
101.02420	4.4
103.14884	0.8
109.02959	19.5
111.00874	0.9
111.68105	0.8
113.02441	5.1
119.03491	1.8
121.02933	1.2
129.01936	5.4
133.02930	4.4
133.06602	0.9
134.03755	1.3
135.04518	6.2
143.05074	4.4
146.03682	2.0
147.04495	2.0
148.05263	1.1
149.06071	12.3
159.04550	1.4
161.02444	37.2
161.06078	11.7
163.04037	1.1
171.04497	8.1
172.05249	1.1
174.03226	3.8
177.05508	1.0
187.03905	1.6
188.04736	2.5
189.05579	47.4
190.05937	2.4
191.03487	0.8
207.06653	3.5
212.34737	0.8
231.06715	5.4
233.04556	1.4
251.93625	0.8
263.05667	1.5
275.05621	17.3
292.80948	1.0
293.06635	2.6
298.64716	0.8
303.07230	9.6
311.07510	0.9
369.11926	9.0
413.10886	100.0
414.11331	4.7
455.12015	3.0
473.13046	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	472.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03447	26.5
59.01074	1.1
59.01378	36.3
61.98830	100.0
69.27464	4.5
69.27895	3.5
71.01378	5.2
72.38533	0.9
73.02926	2.3
74.66832	0.8
83.01413	1.0
85.02977	4.2
89.02437	1.7
96.95992	1.1
99.04520	29.4
101.02441	12.5
105.33687	0.8
109.02990	1.5
111.00863	1.4
111.45641	0.9
113.02448	2.6
125.02450	9.5
129.01939	6.1
130.02242	2.3
130.08751	1.3
135.04524	7.6
136.04865	4.8
143.03461	2.7
147.03041	6.3
148.03244	3.5
149.06030	0.9
156.31287	0.8
161.02513	4.4
161.04526	3.7
162.02769	2.0
163.04005	1.0
172.09729	1.4
177.05542	1.2
179.03549	4.4
180.03848	4.1
191.03563	1.0
193.04929	1.7
194.05316	2.4
202.88216	1.1
204.04228	1.7
205.04529	1.9
219.06543	1.4
220.06970	1.3
221.04538	3.7
249.07469	1.3
250.07990	3.4
265.12924	9.6
307.13992	10.3
311.07584	1.3
314.66833	1.0
324.08087	3.0
341.08817	3.1
342.09119	8.0
347.16885	2.0
360.29492	1.1
409.17072	26.4
409.21460	0.9
478.46594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2749
Annotation	Surinone A
Peak:m/z	Relative Intensity
57.03448	0.3
59.01381	2.7
65.03958	0.0
69.03475	0.2
69.21944	0.3
69.22346	0.1
71.01363	0.3
72.99306	6.9
73.99683	0.0
79.05507	0.1
80.02673	0.2
81.03472	0.2
81.07088	0.2
83.01385	0.2
83.05031	0.3
84.02153	0.2
85.02945	0.9
87.00874	18.2
87.04501	0.2
88.01224	0.2
93.03465	0.1
95.05036	0.1
97.02956	0.0
97.06593	0.2
105.07095	0.1
107.05042	0.1
107.08666	0.1
109.06591	0.1
110.03739	0.1
114.03249	0.0
119.08659	0.1
121.06571	0.0
121.10268	0.0
121.36200	0.0
122.03690	0.0
123.08160	0.1
128.53661	0.0
131.03510	0.2
131.08649	0.1
133.06593	0.1
133.10231	0.1
135.08180	0.2
137.09750	0.0
145.10188	0.0
147.08165	0.2
147.11807	0.5
149.09698	0.1
151.11279	1.9
152.11539	0.1
157.10202	0.0
159.11812	0.1
161.09735	0.1
163.11278	0.1
171.11705	0.1
173.59679	0.0
175.11270	0.2
177.12807	0.1
183.11830	0.1
185.09669	0.1
185.13364	0.1
187.11275	0.1
191.10858	0.0
193.12311	0.7
197.13399	0.3
199.11295	0.1
199.15054	0.1
201.12900	0.2
203.10739	0.1
203.14369	0.2
211.11266	0.2
211.14987	0.1
213.12814	0.1
213.16455	0.0
215.14412	0.1
225.16583	0.1
227.14439	0.1
229.12318	0.9
229.15834	0.1
231.13911	0.4
239.18147	0.1
241.19632	0.2
243.17490	0.1
247.13370	0.2
253.19449	0.1
257.19104	0.4
259.10565	0.1
259.13361	1.3
260.13693	0.1
263.12851	0.2
269.19141	0.1
271.20517	0.1
277.14420	1.8
278.15201	3.1
279.15601	0.1
279.21185	0.1
281.19138	0.0
282.19809	0.1
283.17068	0.1
285.18610	0.1
287.20239	0.3
297.22195	3.9
298.22580	0.2
309.22202	0.2
310.14203	0.1
317.17603	0.2
319.20682	0.1
319.24332	0.1
321.22229	0.1
323.23923	0.1
325.25339	0.1
331.24286	0.1
335.23853	0.2
337.21854	0.1
337.25336	2.2
338.25647	0.1
339.23230	0.5
347.23709	0.1
349.25339	0.7
351.23273	0.1
353.24826	0.3
355.22546	0.1
355.26352	0.3
363.23157	0.2
365.24902	0.3
367.22183	0.1
367.26303	0.8
379.22696	0.0
379.26666	0.1
381.24316	1.5
382.24899	0.1
383.25909	0.9
384.26053	0.1
385.27390	0.1
393.24332	0.6
399.25360	1.1
400.25589	0.1
407.26077	0.0
409.27710	0.1
411.25354	2.1
412.25653	0.2
423.25339	0.1
425.19977	0.1
427.24637	0.1
429.26404	14.9
430.26743	1.2
435.25339	0.2
441.26465	0.9
442.26724	0.1
453.26398	1.7
454.26587	0.1
464.59476	0.0
471.27451	100.0
472.27798	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	471.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.9
59.01377	100.0
60.01730	0.7
61.98825	2.5
66.08221	0.5
68.78786	0.6
69.03448	0.7
71.01384	13.7
71.54916	1.0
72.99327	0.5
73.02946	15.2
74.04862	0.5
74.99114	1.0
81.03448	0.5
83.01391	3.6
83.05006	0.6
85.02949	4.2
87.00891	1.7
89.02435	3.7
96.96014	2.2
97.06625	1.1
99.00919	0.6
99.04530	2.0
101.02447	14.0
103.04028	1.6
107.05042	1.8
108.02196	0.7
109.02942	1.2
113.02448	5.3
119.03509	1.9
121.02955	0.8
125.02451	0.8
131.03506	1.5
135.04521	1.0
136.99141	1.4
143.03490	1.0
149.02446	0.9
149.04547	0.9
152.01129	1.1
153.01884	0.6
161.04547	3.3
161.09744	1.9
161.13382	4.2
164.04736	0.9
172.09187	0.6
187.11250	3.8
189.09241	1.2
190.02759	1.0
191.01955	0.5
205.05197	0.8
205.12358	9.3
206.05952	0.7
215.32190	0.6
223.06075	0.9
223.13374	11.5
224.13643	0.6
229.12305	0.6
249.11324	12.0
249.14986	1.5
265.09302	4.5
267.12375	10.4
268.12680	0.7
301.38257	0.5
311.96802	0.6
385.57025	0.6
394.71509	0.5
411.20206	4.7
429.21121	0.9
471.15335	5.0
471.23831	1.3
474.96109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.2
59.01379	100.0
61.98829	3.0
67.65543	0.4
69.03459	0.4
69.35565	2.5
71.01378	7.8
72.99337	0.5
73.02944	6.5
74.60813	0.4
83.00631	0.3
83.01383	2.7
83.05029	0.4
85.02950	15.2
85.85874	0.3
87.00887	0.7
89.02459	2.2
97.59576	0.4
99.00841	0.6
101.02441	5.7
103.04017	1.4
103.60241	0.3
107.05095	0.5
111.00890	1.6
113.02441	2.9
117.49147	0.4
119.03542	1.0
119.04953	0.4
123.04544	0.6
125.02490	0.7
129.01941	4.6
129.09218	4.1
131.03506	0.3
139.04018	0.5
140.10840	0.5
147.03032	0.9
156.59013	0.4
159.08298	0.4
161.04539	1.1
161.09743	0.7
161.13364	0.4
161.25964	0.4
167.03510	1.3
173.00932	1.5
179.10774	1.4
187.11334	0.8
191.02010	0.8
203.05589	1.9
205.12303	0.9
205.15956	0.5
207.13910	4.9
223.09793	0.9
223.13351	3.7
231.13971	0.5
249.11385	1.7
249.14960	10.1
250.15294	0.5
265.09222	1.8
267.12433	4.2
267.15604	0.6
297.06024	0.7
297.08951	0.8
298.09555	1.5
310.14279	0.4
321.12045	0.7
342.08823	0.6
374.11279	0.6
411.20291	0.6
427.19830	1.1
429.21362	1.5
439.15308	0.4
444.58411	0.4
471.22699	9.2
472.22577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59581	1.8
57.03434	5.4
59.01379	100.0
60.99303	2.1
61.47152	2.1
61.98830	25.5
69.03444	2.4
71.01381	37.8
71.54449	2.0
73.02946	38.3
75.09962	1.8
76.80566	1.8
78.95914	2.3
79.50153	1.9
81.03435	2.6
83.01384	12.6
83.05034	4.7
85.02943	15.2
87.00863	1.9
88.96512	1.8
88.98790	6.8
89.02441	12.1
96.96025	5.6
97.02951	4.3
99.00932	2.1
99.04526	4.1
101.02442	36.9
103.04013	7.1
109.02968	2.4
113.02455	15.8
113.06009	3.2
118.98074	2.0
119.03482	5.6
124.01682	3.0
125.02419	10.8
129.01921	6.2
131.03502	3.4
137.02353	2.0
138.06857	6.6
143.03503	3.2
147.02983	2.7
149.04572	5.4
149.99550	4.3
151.07605	3.9
152.08417	10.0
153.01886	4.0
153.09233	35.2
157.10239	6.8
157.99080	2.1
161.04527	15.6
168.00688	10.3
169.01413	2.7
179.03412	2.1
196.02466	3.2
205.12331	14.8
207.10336	2.1
223.13370	6.5
247.13206	2.0
249.14827	2.2
267.15964	2.5
313.05576	2.7
341.06528	2.4
367.17627	7.7
385.18759	3.0
408.15958	3.8
411.20523	2.9
427.19601	3.2
471.11282	20.6
471.18027	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	471.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33987	1.3
57.03458	3.0
59.01072	2.0
59.01377	38.0
62.25361	1.3
65.56532	1.8
71.01383	19.8
71.01748	2.6
71.02059	2.6
72.99284	1.6
73.02934	2.2
83.01403	2.0
85.02953	34.6
87.00891	2.5
88.88511	1.9
89.02441	13.0
101.02454	9.3
102.24184	1.5
103.04012	63.1
113.02461	8.4
115.78030	1.7
119.03504	5.6
121.10188	1.8
127.06526	1.5
129.30278	1.4
135.11786	5.8
149.09721	3.0
150.31567	1.7
159.08252	1.9
159.11778	2.5
161.09732	7.1
169.31706	1.4
179.10828	11.7
193.12340	4.9
203.10806	8.9
221.11847	2.2
223.09775	3.6
247.08211	2.3
253.71367	1.5
259.86926	1.5
265.09280	65.4
268.36279	1.5
328.84216	1.7
427.19705	100.0
428.19885	7.4
471.18701	63.9
471.27020	5.8
472.18958	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	471.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76608	2.1
53.33748	1.5
57.03434	6.1
57.94841	1.6
59.01376	41.1
60.42220	1.7
61.98835	2.0
69.03426	2.1
69.79230	1.9
71.01383	17.9
71.01748	2.8
73.02950	3.0
75.41340	1.7
85.02948	36.4
89.02453	13.7
101.02434	9.0
103.04017	58.8
104.41370	2.0
105.59897	1.7
113.02444	5.7
114.03692	1.8
119.03485	4.5
121.10224	2.6
135.11829	4.6
145.05058	2.5
159.08060	2.1
159.11711	2.7
161.09735	10.9
179.10739	13.5
193.12370	3.1
203.10713	7.1
221.11809	3.4
223.09755	4.7
247.08270	2.7
265.09253	64.1
266.09705	2.9
311.97940	1.8
315.43921	2.0
325.12885	2.7
367.22702	2.4
385.14792	4.3
405.69028	1.8
427.19699	100.0
428.19971	6.8
471.18430	43.0
471.24011	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	471.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89841	1.8
51.99889	1.8
55.01887	2.1
57.03451	3.9
59.01380	100.0
60.01710	2.3
61.98829	15.1
68.63625	1.7
69.03451	4.4
69.19914	18.6
71.01382	30.3
72.99289	3.1
73.02947	42.2
83.01386	11.0
83.05040	2.7
85.02955	16.4
87.00889	5.1
89.02444	7.2
89.12943	1.8
95.01397	2.7
97.02982	1.7
98.19889	4.5
99.14954	1.7
101.02438	27.0
103.04021	3.4
113.02450	15.3
117.91325	2.0
119.03522	4.2
120.05817	6.1
120.99619	10.4
125.02417	2.9
129.01945	5.1
133.10210	5.2
135.04518	1.9
135.11792	13.5
141.71606	1.6
143.03522	3.6
146.07385	4.7
149.04497	2.3
149.09750	2.8
152.04829	2.1
159.08226	3.4
159.11737	1.8
161.04593	8.3
161.08330	2.2
161.09708	46.0
164.95110	3.4
167.03546	4.2
171.79008	1.7
179.10776	68.0
180.11093	3.2
193.12253	2.7
203.05640	3.7
203.10802	18.0
205.12294	2.3
211.13316	2.8
217.32448	1.7
221.11836	6.2
223.09744	43.2
224.10217	1.8
235.25499	2.2
243.04842	4.9
246.84854	1.8
249.11307	2.9
249.14955	5.5
265.09286	5.6
267.16010	3.7
273.20462	2.4
298.09723	3.3
427.15829	3.1
461.96811	2.0
471.22549	21.7
491.88004	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	471.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85320	0.6
57.03439	3.9
59.00963	1.4
59.01108	1.9
59.01379	52.0
61.98843	3.8
65.08553	0.6
69.39169	1.6
69.39594	3.2
71.01381	16.0
71.42306	0.7
72.99341	1.9
73.02943	5.4
83.01433	2.3
85.02952	21.6
85.06626	0.7
87.00950	1.8
89.02442	14.8
95.01416	1.3
95.05090	0.9
96.96016	6.9
97.02966	0.9
99.04562	1.9
101.02440	14.2
103.04008	34.9
109.02966	0.8
113.02446	9.2
119.03507	7.1
121.02991	3.9
125.02492	0.9
129.02014	1.0
135.04594	1.8
135.08214	0.8
139.40292	0.7
143.03487	1.2
145.05128	1.9
147.00989	0.7
147.04575	1.8
149.02432	26.6
152.01181	1.6
161.04620	1.7
163.04004	3.7
164.04787	22.1
165.01971	1.0
165.05525	1.6
173.02625	0.7
175.00334	4.1
176.01228	2.7
177.05568	1.0
179.05757	1.3
179.07231	3.1
188.04837	0.8
190.02710	17.9
191.03493	8.1
193.01559	1.1
194.86917	0.7
205.05070	22.2
206.05783	7.6
207.03041	2.3
207.13869	0.8
208.03845	2.4
221.08211	8.3
222.05452	0.9
223.06116	26.3
224.06581	1.1
235.02628	0.8
237.07742	2.8
247.08296	1.3
249.11388	1.9
249.14915	1.1
250.04863	2.3
254.94038	0.8
265.07153	9.0
265.09341	100.0
266.09723	3.7
267.15988	1.4
295.08307	2.6
325.09299	4.8
333.57587	0.7
345.90656	0.7
356.74908	0.7
367.10199	0.8
411.20395	3.4
429.21240	1.1
471.14999	82.3
471.20593	2.9
472.15448	6.1
472.28796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.8
59.01383	18.8
69.87576	4.6
70.70498	1.2
71.01385	10.7
71.88744	1.2
75.00860	1.7
83.22941	1.3
85.02950	17.4
87.00863	1.3
89.02445	10.5
98.20576	1.5
101.02425	8.6
103.04023	18.0
111.04512	3.4
112.98733	1.2
113.02432	3.8
117.05632	1.5
119.03495	3.4
121.35281	1.1
128.03494	1.9
129.01935	11.6
135.04524	15.7
147.02968	5.6
149.04552	14.1
163.04039	1.5
172.10382	1.2
173.04530	2.6
179.03534	10.4
191.03384	2.8
213.80534	1.3
265.09271	100.0
266.09653	2.7
279.10815	5.3
341.08569	1.7
471.11542	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67576	0.5
55.24683	0.5
57.03449	5.1
59.01381	10.2
61.98831	5.2
71.01386	2.6
72.99296	0.6
73.02942	1.8
79.95737	28.7
85.02946	2.3
87.00868	0.5
89.02460	2.2
95.94612	1.0
95.95235	21.1
96.96011	85.7
98.20672	1.5
98.95607	0.6
99.04532	3.7
101.02428	3.4
103.04009	1.2
109.02959	1.7
110.97585	7.0
113.02438	0.6
114.33647	0.5
119.03530	1.2
129.01976	1.1
134.03714	0.7
135.04402	0.5
136.99153	5.5
137.02417	0.7
141.95793	0.8
147.02971	1.2
147.04488	0.6
161.04582	2.3
167.00194	36.0
168.00508	0.6
175.04025	0.5
179.10759	0.7
184.89632	0.5
193.04860	0.5
193.51765	0.6
205.08711	1.0
265.09256	0.7
273.04330	0.7
295.06027	0.8
303.05557	1.3
303.87045	0.6
317.07043	0.8
327.07663	2.1
341.06546	1.3
376.15146	0.6
456.10782	2.9
471.13120	100.0
472.13516	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	471.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	5.7
59.01369	2.1
61.98821	1.3
69.23777	7.2
69.24196	3.9
69.81332	1.0
71.01357	1.3
84.62665	1.1
84.87327	1.2
85.02950	21.0
101.02443	14.7
103.04020	11.2
117.03432	2.2
123.97523	1.1
129.01945	85.8
130.63374	1.3
132.02138	3.5
133.02957	19.8
135.04523	55.1
136.04834	1.6
147.02998	100.0
148.03290	1.5
160.01659	6.7
161.02443	89.7
162.02759	2.6
175.54501	1.1
179.03499	78.4
180.03836	1.8
323.07703	66.3
324.07959	3.8
341.08752	94.7
342.08994	2.9
471.11133	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28928	1.2
53.63759	1.0
53.84494	1.1
57.03441	4.6
59.01383	2.2
61.98821	2.0
69.03444	1.1
69.81560	1.0
69.82080	1.7
69.82478	4.1
71.01389	1.8
82.86378	1.1
83.13743	1.6
85.02948	17.8
89.02455	3.5
96.96046	1.3
101.02456	10.6
103.04008	6.4
105.30434	1.1
108.02176	8.4
108.45097	1.1
109.02969	7.1
111.04501	2.8
129.00970	2.9
129.01941	60.5
132.02213	2.2
133.02969	8.4
134.03738	2.1
135.04527	70.0
147.02994	66.4
152.01155	11.5
152.95285	1.2
153.01924	8.2
155.03474	2.9
160.01619	3.6
161.02441	60.2
174.40585	1.2
179.03499	100.0
180.03894	2.1
193.05260	1.5
232.29808	1.6
234.49159	1.2
251.57951	1.1
297.05957	2.0
309.06274	1.4
315.07147	3.2
323.07712	41.0
324.07895	1.3
341.08759	87.3
342.09088	5.6
387.09314	9.5
420.40668	1.2
453.10355	2.1
471.11380	28.3
472.11758	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	470.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01383	3.0
60.01727	0.2
61.98830	100.0
69.86198	0.4
69.86609	0.8
70.29830	0.2
71.01389	1.0
72.85824	0.2
73.02937	0.7
75.00866	0.3
76.85153	0.2
83.01394	1.1
85.02957	1.1
87.00889	0.7
89.02444	0.6
96.96001	1.7
98.19956	0.3
99.04531	0.7
101.02457	1.1
101.43291	0.2
103.04035	0.3
109.02991	0.4
113.02443	0.5
125.02511	0.3
129.01962	1.3
132.02206	0.2
134.03743	0.6
135.04485	0.7
147.02995	0.9
148.05319	1.1
149.05788	0.6
152.01228	0.2
153.01929	0.3
154.62408	0.2
155.02470	0.2
161.02420	0.9
163.04004	0.3
163.07692	0.8
163.26007	0.2
164.08014	0.6
175.04001	0.4
176.04359	0.6
178.02631	0.3
179.03535	1.1
188.04744	0.4
189.05244	0.4
193.05099	0.7
194.05402	0.7
203.07175	0.3
206.05446	0.3
221.08194	0.5
222.08626	0.6
247.06055	0.3
248.06473	0.5
263.11240	0.3
267.08923	0.2
300.00714	0.2
306.28925	0.2
315.21014	0.3
323.07870	0.6
341.08911	0.9
341.20288	0.2
346.08606	0.5
351.83789	0.2
366.12894	0.4
384.13898	0.5
387.09659	0.3
407.15491	0.4
408.23834	0.3
409.23373	0.3
410.11795	0.4
410.23730	1.1
426.14682	0.5
428.13010	0.2
470.13742	1.6
470.23120	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.6
59.01379	38.7
61.78685	0.7
61.98829	100.0
69.83844	2.6
71.01379	10.2
72.99306	0.6
73.02948	12.6
77.90749	0.6
83.01382	4.5
85.02956	11.1
87.00892	1.8
89.02454	3.6
97.06624	1.0
101.02437	11.0
103.04008	15.1
107.05023	1.9
113.02452	4.7
119.03502	0.9
123.04543	0.8
125.02473	0.7
135.04619	0.9
143.03488	1.1
145.05188	1.0
159.10291	3.0
161.04572	1.3
161.09679	3.4
161.13327	1.9
167.03519	0.8
175.03154	0.7
187.11372	3.7
189.09235	2.0
205.12373	2.4
207.10278	0.8
223.13377	12.0
227.70419	0.8
247.08238	2.6
249.11334	3.2
249.15009	2.8
265.09247	8.7
267.12338	12.7
273.07730	0.7
277.11447	0.7
307.10312	13.0
315.60605	0.7
404.47858	0.8
406.59787	0.8
407.19205	51.7
408.19684	2.2
429.21350	1.2
470.19162	0.6
471.17468	0.8
471.23352	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	469.3321
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
57.03441	0.4
59.01367	0.2
61.98820	0.4
67.43592	0.2
67.97949	0.2
70.35303	0.2
70.35643	0.6
85.06583	0.6
97.06584	1.1
99.08124	0.3
119.08688	0.2
137.09685	1.2
145.84500	0.2
171.58545	0.2
198.40474	0.2
207.17528	0.9
243.17517	0.3
255.17548	0.3
259.16901	0.3
261.18634	1.2
269.19070	0.3
277.21732	0.7
307.20609	0.3
391.26199	0.2
407.29276	1.9
415.28021	0.2
423.32849	1.0
451.32007	0.3
467.31171	0.3
469.33182	100.0
470.33536	9.4
470.40485	0.3
479.92780	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84860	0.4
59.01374	0.8
61.13564	0.4
61.98842	0.9
67.98588	0.4
70.35188	0.4
72.51393	0.4
79.86946	0.3
98.20697	0.6
121.02957	100.0
122.03272	2.0
171.26666	0.5
177.63911	0.5
243.70651	0.5
303.19812	2.3
303.22775	0.5
347.22253	24.8
348.22678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3318
Annotation	Garcihombronane F
Peak:m/z	Relative Intensity
57.03438	0.8
69.03442	0.6
69.32319	0.7
69.32736	0.9
71.01387	0.2
83.05025	3.5
83.56252	0.2
84.96280	0.2
85.02953	1.7
85.06583	3.0
93.03493	0.2
95.05016	1.4
97.06581	2.0
99.08147	0.8
101.06085	2.7
109.06570	0.3
111.04528	0.2
113.06085	1.4
113.09718	0.4
114.06847	1.7
115.07668	0.3
119.50105	0.2
121.06596	0.2
121.10235	0.2
123.08139	0.2
125.09724	0.8
127.07628	0.2
137.09721	1.1
147.08153	0.3
149.09720	0.6
153.12891	0.2
165.12811	0.2
175.03993	0.3
179.51291	0.2
183.13919	0.5
185.09885	0.2
186.87320	0.2
187.11275	0.8
191.14444	0.9
217.15930	0.8
239.17978	0.3
241.15970	0.3
245.15381	0.2
255.17633	0.3
257.19095	0.7
259.17035	1.0
265.15878	0.4
269.19165	0.2
271.16919	1.0
283.17093	0.4
285.18591	5.6
286.18961	0.2
287.20148	3.5
295.20627	0.7
301.21591	0.3
309.22046	0.3
311.20090	0.6
313.21658	0.5
321.22211	0.4
323.23764	0.6
325.21552	0.4
335.23801	0.5
337.21851	0.3
337.25467	0.8
339.23096	0.6
341.24716	0.5
351.23236	0.3
352.69083	0.2
353.24799	1.8
355.26477	2.7
363.23334	0.4
365.24982	1.0
371.25879	1.4
381.24295	1.2
383.25912	2.5
384.26505	0.3
385.27435	4.0
386.27954	0.3
399.25357	4.3
400.25641	0.3
401.26968	2.5
402.27197	0.2
413.26868	1.2
414.27716	36.1
415.28043	2.9
417.27509	0.2
421.30984	0.3
423.32614	1.3
428.25790	0.3
433.31195	2.1
439.32156	2.3
441.33691	10.0
442.34213	0.7
449.30396	0.3
451.32162	12.6
452.32550	1.3
469.33182	100.0
470.33521	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	469.171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02309	0.5
55.01875	0.7
57.03455	4.5
58.00599	1.1
59.01380	22.2
61.98824	4.3
68.45390	0.4
69.03459	1.2
70.28537	1.2
70.28928	1.2
71.01013	0.7
71.01382	11.4
71.05024	0.5
72.99287	1.1
73.02935	2.8
79.05522	1.7
83.01382	1.3
83.05022	1.4
85.02950	22.1
87.00872	1.8
89.02441	6.7
91.05524	0.5
95.05045	0.6
96.35503	0.6
97.02438	0.6
97.02956	5.3
98.20010	0.6
99.00852	0.8
99.04505	1.7
101.02437	6.8
103.04013	37.3
107.04996	0.6
109.02939	1.8
111.00874	1.0
113.02439	3.4
117.05530	0.5
119.03525	3.0
121.06612	0.7
125.02454	1.1
128.03540	1.1
129.01936	0.8
131.08647	1.9
133.10240	18.7
137.06050	0.9
141.07100	0.6
143.03456	0.8
144.05798	1.4
145.05057	1.5
147.04477	0.5
157.10217	2.1
159.08148	6.6
161.04482	1.0
161.09694	0.6
173.09698	2.1
173.45442	0.6
175.06065	0.5
175.07706	0.6
175.11319	4.0
177.09210	24.1
178.09547	0.9
189.09363	0.6
191.10805	2.4
201.09158	1.8
202.08882	0.5
203.07083	3.4
219.10191	2.7
221.08185	13.2
235.09715	0.8
247.08128	1.4
247.13403	1.0
258.61432	0.6
263.09238	6.1
265.09268	25.7
265.14178	1.0
266.09726	0.7
293.10126	0.7
323.11319	5.4
337.18274	1.0
365.12299	0.7
372.14145	1.6
375.38885	0.5
381.17474	1.9
383.13449	7.7
407.18066	0.8
425.18170	10.2
426.17935	0.9
451.16904	5.4
469.17105	100.0
470.17502	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	469.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76066	1.3
56.83364	1.5
57.03440	5.5
57.32460	1.5
59.01379	12.1
61.98825	13.0
71.01379	86.7
72.99307	26.5
73.02950	1.8
75.00912	1.7
76.36834	1.3
80.46625	1.5
83.01385	2.1
83.05019	2.7
85.02946	5.2
87.00877	36.2
89.02429	3.3
95.97261	1.4
96.96001	8.6
99.00835	1.6
101.02438	3.9
101.06113	3.7
109.02967	1.6
111.04513	5.6
112.98772	2.8
113.02417	1.5
115.00376	26.7
119.03573	1.5
120.99619	1.9
122.46878	1.5
129.01996	7.3
133.01431	4.8
146.04591	2.2
147.02992	100.0
147.06633	47.3
148.05313	2.1
149.04585	7.7
161.04568	1.5
163.07632	1.5
173.04553	5.4
175.03958	2.1
191.76001	1.4
209.02924	4.0
216.98123	1.5
218.42274	1.4
234.99205	1.5
263.05911	2.2
303.10800	1.6
390.99396	1.9
469.10239	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	469.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
59.01379	6.0
60.99306	14.8
61.98826	7.7
68.83451	0.5
71.01375	3.1
71.53188	0.8
79.95741	0.9
83.01405	0.6
85.02953	3.5
86.44775	0.5
87.00996	0.5
88.98801	100.0
89.62984	0.6
89.99180	0.5
92.70338	0.5
96.96004	15.7
99.04510	1.8
101.02444	2.4
103.03970	0.6
109.02978	0.5
113.02489	0.7
119.03466	0.7
120.99647	0.8
124.01682	0.8
125.02442	2.6
128.03529	0.6
129.01956	0.6
134.03738	7.4
137.02417	1.7
139.04004	0.7
149.06065	2.6
149.99594	0.8
152.03622	0.6
153.01968	0.9
161.04533	0.9
168.00580	1.6
178.02707	5.1
191.01958	1.0
193.05038	12.6
196.02486	1.6
221.35426	0.6
239.92139	0.7
248.02284	0.7
275.02347	1.3
287.14694	0.6
301.82367	0.5
303.14069	0.5
307.11795	0.8
332.81650	0.6
379.16092	1.3
406.14386	0.9
409.24023	0.6
469.08939	5.7
469.17508	2.5
469.22946	1.4
470.08627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95483	1.2
55.01857	4.7
56.76891	1.1
57.03428	3.3
59.01377	60.3
60.15449	1.0
61.98539	1.4
61.98830	21.1
65.44185	1.3
69.03429	3.4
71.01379	45.3
72.99286	4.8
73.02551	2.2
73.02944	28.0
75.00870	16.9
82.95399	3.5
83.01385	54.0
83.01891	2.7
85.02951	13.7
87.00340	1.9
87.00876	36.3
88.98770	2.8
89.02453	6.0
95.01376	3.9
95.14410	1.3
96.95455	1.9
96.96006	19.2
97.02916	3.9
98.19839	2.2
99.00848	4.2
101.02444	16.4
108.01582	1.5
108.02182	14.4
109.02953	1.7
110.00057	1.7
111.00845	4.8
113.02438	8.8
119.03449	1.4
121.02911	1.2
122.03709	1.7
123.00989	1.2
123.04514	9.2
124.01633	2.9
125.02383	2.1
129.01935	16.5
132.02190	7.1
133.02907	2.6
134.03729	17.8
135.04491	4.8
137.02422	2.8
141.01909	5.5
143.03473	1.9
145.02956	1.6
146.03735	2.2
147.04475	4.4
148.05296	84.0
149.02393	1.8
149.06093	17.2
159.04503	10.8
160.01645	29.6
160.05321	7.5
161.02383	5.1
161.04532	2.6
161.05991	2.3
162.03133	3.3
162.06828	2.0
163.04001	10.7
163.07640	100.0
164.04733	3.9
164.07944	3.7
165.01875	2.2
171.04471	2.1
173.02394	5.0
174.03195	3.4
175.03992	49.0
175.07545	2.5
176.04742	8.1
177.00093	2.5
177.01913	2.1
177.05531	9.4
178.02715	7.9
178.06337	22.4
179.06964	1.6
187.03992	10.5
188.04785	66.6
189.05455	6.0
190.02658	4.6
191.03471	2.8
191.07126	5.8
193.05031	22.0
193.08746	7.4
194.05437	1.9
203.03421	4.3
203.07135	25.0
204.04305	8.6
204.99660	12.8
205.04997	9.4
205.08621	4.2
206.05812	13.3
207.06448	2.5
210.21771	1.3
214.02812	1.8
219.04741	7.9
219.06975	7.0
220.01971	18.1
220.03830	2.0
220.07222	2.2
221.08174	71.7
222.08466	3.5
223.09744	3.5
230.05884	2.3
232.03729	9.7
235.04289	22.4
235.06105	1.4
245.08272	6.1
247.06091	44.0
248.06465	2.6
249.07788	1.3
261.05899	1.9
264.06366	2.9
265.07153	19.2
267.08594	4.5
275.02188	1.5
285.06073	2.3
285.84518	1.2
289.07074	3.5
289.64951	1.2
294.86630	1.2
303.07089	1.6
307.08252	1.4
337.09207	8.0
345.08237	58.0
346.08383	3.0
365.12347	27.9
383.13464	17.8
409.11337	19.6
425.14554	38.0
426.14862	2.5
427.12332	16.9
428.12720	2.0
469.13364	96.6
470.13400	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	469.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17488	0.8
55.01859	3.6
57.03432	2.7
58.00584	2.6
59.01380	61.0
61.26132	0.9
61.98828	14.5
68.99812	2.0
69.03439	3.9
69.95945	0.8
71.01381	47.9
71.54101	1.2
72.53961	0.8
72.99294	3.3
73.02947	31.1
73.03357	2.1
75.00869	17.6
78.95864	0.9
82.95399	3.6
83.01387	57.7
84.01695	1.2
85.02460	1.1
85.02947	14.6
86.00078	0.9
87.00877	38.7
88.98791	3.2
89.02435	6.2
95.01402	5.3
96.96015	18.1
97.02952	4.3
99.00880	3.7
101.02435	18.5
108.02173	11.7
109.02939	3.6
111.00879	4.6
113.02451	10.0
119.03481	1.6
120.99635	1.5
121.02943	1.0
122.03737	1.7
123.00859	2.9
123.04536	11.2
124.01664	2.7
125.02448	3.2
129.01941	18.6
132.02168	8.0
133.02934	1.8
134.03735	19.7
135.04558	6.8
137.02428	3.8
141.01947	4.5
143.03467	1.7
145.02927	3.2
146.03653	1.9
147.03004	1.1
147.04532	4.1
148.05304	91.0
149.02423	2.6
149.06085	15.1
150.03169	1.9
151.03967	1.1
158.03812	1.0
159.04512	10.6
160.01654	35.9
160.05316	8.2
161.02470	5.8
161.04529	2.0
161.05885	1.9
162.03175	3.1
162.06865	1.8
163.04013	13.6
163.07645	100.0
164.04822	5.8
164.07942	4.0
165.05522	1.7
171.04480	2.3
172.05269	1.6
173.02376	5.5
174.03188	3.9
175.03999	54.5
175.07533	2.4
176.04776	8.6
177.00226	1.6
177.01910	1.9
177.05556	6.8
178.02715	6.6
178.06332	22.8
179.07115	2.6
186.03159	2.2
187.03970	10.1
188.04776	70.0
189.01984	1.5
189.05400	5.7
190.02708	4.2
190.06314	2.5
191.01964	1.3
191.03476	2.8
191.07144	9.0
193.05037	23.0
193.08716	8.1
195.06638	1.3
201.05556	1.9
202.06288	1.8
203.03583	5.5
203.07127	25.1
204.04286	9.1
204.99649	14.1
205.05031	9.6
205.08688	2.0
206.05838	19.1
207.06468	3.3
214.02696	1.4
216.04173	1.1
217.05048	1.4
219.04753	7.4
219.06943	6.7
220.01979	11.8
220.03801	1.9
220.07207	1.3
221.08177	80.2
222.08394	3.4
222.10500	1.0
223.06116	1.1
223.09741	3.0
230.05830	2.6
231.06506	1.6
232.03767	10.8
235.04208	17.0
235.06137	2.0
245.08147	6.4
247.06090	48.3
247.09799	1.9
248.06500	1.5
261.05817	1.8
264.06348	4.1
265.07117	18.5
267.08728	5.2
275.02216	1.2
275.09424	1.2
285.06073	2.2
289.07019	3.5
303.07199	2.3
307.08478	1.1
337.09140	6.4
338.09317	1.0
345.08243	54.1
346.08447	2.6
365.12360	28.3
366.12726	2.6
383.13446	15.9
384.13965	1.3
409.11353	17.8
410.11688	2.0
425.14499	35.9
426.14819	3.6
427.12387	18.8
428.12561	1.8
469.13428	98.7
470.13794	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	469.081
Annotation	CHEBI:91206
Peak:m/z	Relative Intensity
57.03448	1.2
59.01381	5.0
61.98830	13.1
69.25836	4.3
71.01387	1.9
73.02967	0.8
79.95737	5.8
80.96513	0.6
81.25706	0.5
85.02956	5.0
86.03320	0.6
88.98808	0.8
89.02454	1.5
93.03436	0.5
94.98099	0.5
95.95225	1.1
96.96011	81.5
98.02483	1.0
99.95522	0.5
101.02448	1.6
103.04006	1.0
106.04230	0.7
108.04554	0.5
111.00903	0.5
113.02442	0.9
116.13477	0.4
120.99677	0.7
121.02956	1.9
122.97578	1.8
128.32289	0.5
133.02942	1.8
134.03743	55.2
135.04100	0.9
137.02441	10.0
138.09464	0.5
139.03993	2.5
149.06081	18.8
150.03206	2.5
157.05067	1.3
159.57909	0.5
161.04570	0.9
162.03217	0.8
163.04025	0.9
165.05490	0.9
168.03050	0.5
177.05525	1.0
178.02707	40.3
179.02962	0.8
191.01970	1.2
193.05049	100.0
194.05380	2.9
196.02457	1.4
209.03003	1.1
210.03329	0.6
230.01254	0.6
248.02394	1.0
263.33749	0.5
275.02292	5.2
406.14011	1.4
469.07739	33.3
469.21820	2.0
470.08115	3.2
484.53448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73844	0.4
52.10765	0.3
57.03441	1.7
59.01372	5.4
61.98826	100.0
63.99250	0.6
66.95933	0.4
70.53983	0.4
70.54367	1.2
71.01388	1.8
73.02944	0.6
82.95418	0.5
85.02948	8.6
86.03307	1.0
88.98808	1.5
89.02466	0.5
96.96006	2.8
101.02468	1.1
103.03999	8.3
105.01281	0.4
109.02944	0.6
111.00930	0.8
112.78014	0.4
113.02467	0.5
117.02414	0.5
120.99647	0.4
125.02439	0.4
128.03526	0.7
129.01979	1.2
134.03737	0.4
143.04630	1.4
147.03006	1.0
152.01193	0.4
188.10695	0.4
191.02014	2.5
192.02423	0.9
201.62836	0.4
209.03009	2.2
210.03435	1.2
272.08936	1.8
304.06076	0.4
338.04971	1.1
405.21234	13.2
405.26154	0.8
406.21945	1.0
408.22974	0.4
468.16415	1.6
469.08020	0.6
469.13406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03490	0.6
59.01382	6.0
61.98830	8.1
66.38354	0.6
69.19766	4.2
69.20173	1.0
71.01440	1.8
85.02953	4.3
86.03342	0.5
95.03841	0.9
97.01756	0.6
97.02991	0.5
98.20282	2.9
101.02498	1.4
103.03996	3.8
103.97853	0.5
106.06677	1.0
112.04086	0.7
112.42250	0.5
120.04623	0.7
121.89507	0.6
122.06122	3.2
124.07730	1.6
132.04576	6.6
133.05408	1.9
133.10297	1.8
134.03883	0.7
134.06119	3.0
138.05630	3.1
140.07175	0.7
148.04138	1.2
150.05676	1.1
152.07219	0.5
160.04102	1.2
160.07774	0.6
161.04753	0.7
162.05667	1.2
165.04326	3.9
177.09302	2.3
182.06100	0.6
184.07668	0.7
191.02013	1.3
198.09373	1.6
200.07237	0.7
202.08829	1.5
211.08900	0.8
212.10774	2.8
213.06657	4.5
214.12349	3.9
215.11909	1.3
221.08179	0.6
224.05960	0.7
225.06789	1.9
226.07329	0.7
227.08167	5.6
228.06770	4.1
228.10457	1.3
229.09714	0.8
230.11868	0.9
239.08272	18.2
239.10593	0.9
240.08522	0.7
240.10570	0.7
241.09758	4.1
242.08194	1.6
242.10599	0.7
243.07626	0.8
244.08733	0.6
245.10649	0.6
252.09145	1.0
253.06355	1.6
253.09923	4.9
254.10580	7.3
255.11374	5.9
256.09811	4.7
256.12070	0.7
257.05698	1.3
257.10638	1.1
257.12915	4.7
258.11325	5.9
259.11713	0.6
265.09506	2.1
267.07816	6.6
267.11343	1.7
268.08826	1.0
269.09390	1.8
270.10117	1.4
271.04346	0.6
271.07339	1.3
281.09308	4.8
282.10062	5.0
283.10910	4.8
289.09735	0.9
293.13220	0.8
294.18646	1.4
296.08170	0.9
297.08826	0.8
299.10175	0.7
301.12006	0.9
307.14459	1.1
314.09003	5.8
321.16016	0.7
323.11270	0.7
333.12708	0.6
337.19205	3.8
345.11044	0.9
362.11624	0.6
363.17093	2.2
377.14215	0.6
378.14532	1.0
381.18414	3.0
383.13406	1.4
390.14581	0.8
391.15359	1.7
406.17740	17.5
406.23239	1.0
407.17709	0.6
424.18738	0.9
425.17258	11.1
426.17426	0.7
432.15750	1.6
450.16696	100.0
451.17053	8.0
468.17734	62.0
469.17426	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	468.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03388	3.1
57.57192	0.9
59.01314	4.4
61.98764	12.4
68.99755	0.7
69.54205	0.8
69.54521	5.2
70.36970	0.7
71.01308	2.5
73.02882	1.6
74.42936	0.7
83.01300	0.9
85.02946	23.1
85.03430	1.1
86.03290	4.1
92.37525	0.7
92.55244	0.9
100.39964	0.8
101.02370	1.5
106.06542	1.7
111.00897	0.9
118.98019	1.0
120.04543	0.9
120.99632	0.8
122.06030	3.2
124.04063	0.9
124.07590	1.8
129.01945	3.7
132.04553	7.4
133.05225	2.1
134.06033	3.2
138.05530	2.2
140.07080	1.1
147.03004	4.6
148.03966	1.6
150.05516	0.8
160.03990	1.4
165.04268	1.6
184.07443	0.8
191.01976	6.7
192.02209	1.8
198.09178	1.0
200.07086	1.1
202.08650	1.5
211.08679	1.4
212.10696	2.4
213.06622	4.0
214.12175	2.1
225.06517	2.2
227.08226	7.2
228.06699	5.3
228.10417	1.4
230.11693	1.6
239.08218	19.5
240.10336	1.0
241.09758	3.9
242.08119	3.0
243.07748	0.9
253.06078	1.4
253.09760	3.7
254.10594	6.1
255.11415	6.0
256.09796	6.0
257.05658	1.4
257.12778	3.6
258.11276	6.5
267.07614	5.3
267.11203	1.8
268.08392	1.1
269.09158	1.3
270.10095	1.1
281.09286	5.7
282.10098	5.5
283.10791	4.8
289.09506	1.7
294.18491	1.5
297.08630	0.8
299.10776	0.8
301.11923	1.1
309.15948	1.0
314.09128	5.8
337.19113	3.5
363.17041	2.7
376.12735	0.9
378.14462	1.4
381.18118	3.9
391.15366	1.8
406.17654	17.4
407.17328	1.3
424.19003	1.3
425.17273	7.1
432.15552	2.6
450.16663	100.0
451.16898	7.5
468.17728	54.1
469.17773	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	468.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.3
58.65940	1.7
59.01379	35.9
61.43684	2.1
61.98830	100.0
69.36616	2.3
69.37022	12.8
71.01378	17.2
71.78190	1.8
72.99297	2.7
73.02922	4.9
84.02167	1.8
85.02950	45.4
86.03277	6.7
89.02438	8.6
101.02425	6.9
109.02960	3.0
109.96519	1.5
111.00851	2.5
112.86140	1.7
113.02428	5.9
117.96637	2.3
119.03495	1.9
119.05039	2.7
127.66779	1.7
147.02998	4.9
149.06090	2.0
152.01105	4.3
171.10210	2.7
181.12352	11.8
191.01955	12.7
191.05511	2.0
192.02275	3.7
209.03014	7.3
210.03227	2.3
218.01561	2.1
225.11311	44.5
226.11713	2.7
247.49670	2.0
265.09366	3.0
271.02298	2.2
300.02646	5.1
405.17426	67.2
433.07471	6.2
468.10843	3.4
468.17661	5.2
469.13184	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	467.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83864	0.3
59.01381	100.0
60.01699	0.6
61.98840	2.1
71.01382	0.5
74.97212	0.3
85.02940	1.2
98.19859	0.6
165.05562	0.4
219.13882	1.2
263.12872	4.6
425.23560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82693	0.2
57.03427	0.3
59.01382	0.4
59.22787	0.2
61.98824	0.3
65.85811	0.2
69.03426	0.3
70.26916	0.8
71.01370	0.3
71.05015	1.4
83.05022	0.2
85.06594	0.3
97.06570	0.5
98.17735	0.2
120.05725	0.3
129.85596	0.2
130.26897	0.2
137.09683	0.2
141.09227	0.5
165.09230	1.2
185.09830	0.3
195.17137	0.2
199.11272	0.7
211.13403	0.3
221.15405	0.4
232.52409	0.2
233.15434	0.3
234.71941	0.2
235.16946	0.6
247.17023	2.4
251.14462	0.3
257.15427	0.2
259.17194	0.2
265.15948	0.4
271.16995	0.7
273.18558	0.4
283.20511	0.4
285.18661	0.4
287.20145	0.5
289.21759	0.3
323.20071	0.4
327.19482	0.4
339.23273	0.8
349.18027	0.5
363.19565	0.4
365.21255	0.4
367.22681	0.7
377.20859	0.2
379.22684	2.3
393.24316	0.8
397.23676	0.4
403.22681	0.3
407.25839	0.6
407.30283	0.4
409.23776	0.7
411.29074	0.4
421.24094	0.6
423.32706	2.2
435.24792	0.6
435.29181	0.9
437.26871	0.6
449.30774	0.5
451.28546	4.4
452.28949	0.2
465.29938	1.0
467.31638	100.0
468.31970	9.5
484.28326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83864	0.3
59.01381	100.0
60.01699	0.6
61.98840	2.1
71.01382	0.5
74.97212	0.3
85.02940	1.2
98.19859	0.6
165.05562	0.4
219.13882	1.2
263.12872	4.6
425.23560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01707	0.8
61.98829	0.8
71.01379	0.4
85.02949	0.6
98.19845	0.7
98.20521	1.2
164.84015	0.3
190.69731	0.3
191.01981	0.5
282.51804	0.3
302.55655	0.3
351.53918	0.3
366.67438	0.3
467.26611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.5
57.03452	5.1
58.00586	1.1
59.01379	80.0
61.98829	17.1
69.03454	0.7
71.01382	32.3
71.02041	1.2
72.99312	2.1
73.02947	10.5
75.00875	1.3
79.05320	0.5
83.01384	5.4
85.02949	36.1
87.00876	2.2
89.02444	19.4
90.02769	0.6
95.01408	2.4
96.96019	1.9
97.02939	0.7
99.00894	3.4
101.02443	30.0
103.04012	6.2
111.00901	1.5
113.02451	13.7
119.03496	8.1
125.02451	0.6
129.01956	2.4
131.03473	1.3
143.03482	3.2
147.02960	3.1
149.04590	0.8
159.02989	2.5
161.04550	14.1
179.05614	4.8
191.01971	9.0
209.03018	4.7
216.52789	0.6
243.15793	0.8
245.17563	8.0
247.08252	0.8
265.09286	5.9
287.14072	0.8
307.10318	10.0
308.10257	0.6
407.22821	100.0
408.23132	5.3
449.19858	1.2
467.15790	1.8
467.21277	10.5
468.21890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.03444	5.6
58.00588	1.3
59.01381	61.4
61.98830	48.1
66.04551	0.6
71.01384	27.7
72.15685	0.6
72.99306	2.5
73.02941	2.6
75.00877	0.8
76.00123	0.9
78.81518	0.6
79.95728	2.0
80.91667	2.9
83.01392	2.7
84.02159	0.8
85.02953	35.1
87.00876	2.8
88.98805	1.0
89.02448	28.3
89.49854	0.8
93.03425	0.7
95.01376	1.7
96.96016	22.1
99.00885	1.1
99.04498	1.7
101.02446	18.9
101.06068	1.4
103.04006	1.9
111.00880	2.1
113.02451	11.4
115.00371	0.6
119.03497	10.9
129.01936	3.0
131.03429	0.8
133.01503	0.8
138.05637	0.8
143.03481	1.6
147.02975	3.7
149.02422	1.0
150.03198	1.4
153.05635	1.0
161.04556	2.3
163.03978	1.4
165.05612	1.3
173.00969	0.7
173.04626	0.9
179.05583	3.2
187.07643	0.8
189.11371	0.7
191.01985	10.3
197.04515	0.8
201.11348	1.3
209.02989	12.8
217.03278	0.9
219.12349	1.8
245.17563	2.3
265.09262	1.6
313.41129	0.8
367.19443	1.3
407.22852	100.0
408.23151	6.3
467.15778	19.8
467.21420	3.9
468.15576	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.3
57.03444	4.9
58.00583	1.4
59.01377	100.0
60.01717	0.9
61.98830	22.9
71.01379	30.7
71.53535	0.8
72.99309	2.5
73.02946	7.5
74.99091	1.0
78.95879	1.0
81.02642	0.8
83.01375	3.7
83.05001	0.7
84.37172	0.7
85.02946	31.8
87.00874	2.7
88.04057	0.7
89.02441	27.5
95.01370	2.3
96.96007	14.6
97.02946	1.1
99.00883	1.5
99.04519	1.4
100.77681	0.8
101.02435	25.3
103.03994	6.0
111.00880	1.2
113.02448	14.9
113.03171	1.3
119.03493	14.4
123.04439	1.0
125.02434	2.3
129.01929	2.9
131.03528	1.3
143.03493	2.7
147.02979	2.9
149.04562	1.4
150.03221	0.7
153.09143	0.9
155.94347	0.7
159.03029	1.7
161.04567	10.3
165.05573	0.8
179.05620	6.7
179.14284	0.8
181.05080	1.0
187.07602	0.7
191.01939	8.0
200.84369	0.7
209.02975	4.9
245.17542	4.7
254.58484	0.8
255.11403	0.9
265.09225	2.3
266.09714	0.8
287.13913	1.1
305.06528	1.2
307.10269	3.5
323.13327	1.1
378.83368	0.9
394.52893	0.9
407.22830	82.5
408.23251	5.5
467.15555	3.4
467.21329	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	467.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.03444	5.6
58.00588	1.3
59.01381	61.4
61.98830	48.1
66.04551	0.6
71.01384	27.7
72.15685	0.6
72.99306	2.5
73.02941	2.6
75.00877	0.8
76.00123	0.9
78.81518	0.6
79.95728	2.0
80.91667	2.9
83.01392	2.7
84.02159	0.8
85.02953	35.1
87.00876	2.8
88.98805	1.0
89.02448	28.3
89.49854	0.8
93.03425	0.7
95.01376	1.7
96.96016	22.1
99.00885	1.1
99.04498	1.7
101.02446	18.9
101.06068	1.4
103.04006	1.9
111.00880	2.1
113.02451	11.4
115.00371	0.6
119.03497	10.9
129.01936	3.0
131.03429	0.8
133.01503	0.8
138.05637	0.8
143.03481	1.6
147.02975	3.7
149.02422	1.0
150.03198	1.4
153.05635	1.0
161.04556	2.3
163.03978	1.4
165.05612	1.3
173.00969	0.7
173.04626	0.9
179.05583	3.2
187.07643	0.8
189.11371	0.7
191.01985	10.3
197.04515	0.8
201.11348	1.3
209.02989	12.8
217.03278	0.9
219.12349	1.8
245.17563	2.3
265.09262	1.6
313.41129	0.8
367.19443	1.3
407.22852	100.0
408.23151	6.3
467.15778	19.8
467.21420	3.9
468.15576	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.7
57.03450	11.9
57.87895	0.6
58.00611	0.8
59.01379	19.0
61.98832	40.7
68.99809	0.9
70.71877	1.4
71.01379	17.4
72.99305	3.1
73.02943	3.3
74.99091	0.7
75.00881	2.5
78.91904	0.9
80.91695	0.9
83.01393	3.6
84.02158	2.4
85.02951	89.9
85.66287	0.7
86.03268	0.8
87.00887	4.2
87.01326	0.6
88.98817	3.8
89.02430	6.7
93.03464	1.4
96.96014	1.2
97.02941	1.6
97.31988	0.7
99.00889	0.9
100.47864	0.7
101.02445	5.0
103.00396	1.6
103.04005	2.7
108.36463	0.6
108.89681	0.7
109.02954	1.3
111.00851	3.7
113.02455	2.3
115.00367	1.8
119.03517	1.5
120.99620	1.2
121.10231	2.1
123.00787	0.8
123.98508	0.6
125.02476	0.9
129.01944	10.3
133.01430	5.1
135.04483	0.7
138.03186	1.7
141.01947	0.9
145.01408	0.8
147.02988	12.0
149.02454	1.3
149.29691	0.7
150.03244	3.7
151.03957	0.6
153.01830	0.8
153.05597	1.0
161.04555	1.1
165.04216	1.4
165.05603	3.5
167.60645	0.7
173.00885	2.4
173.04471	1.0
179.03065	0.8
182.02084	1.4
187.07658	5.0
191.01974	36.7
191.05516	3.6
195.06512	1.2
197.04547	1.6
198.62337	0.8
201.11330	3.4
202.06413	1.4
209.03018	100.0
210.03371	2.3
213.09204	2.3
219.12398	3.1
231.10236	3.0
254.08119	0.7
257.08231	0.9
261.11130	0.9
275.09198	2.2
305.11591	0.9
323.12436	1.7
323.16629	0.7
377.08798	0.8
404.19861	0.8
405.14194	3.5
407.22192	1.2
467.16232	9.7
467.21432	8.2
468.16141	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	466.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71201	0.7
57.03451	4.1
59.01381	26.9
59.15966	0.6
60.01702	1.3
61.98830	43.1
69.60610	4.4
71.01385	28.9
71.05023	11.3
72.00908	0.7
72.01704	0.8
72.99307	1.3
73.02941	2.0
83.01405	1.8
84.56309	0.8
85.02953	21.8
87.00909	1.3
88.04043	28.7
89.02441	7.9
90.02708	0.7
92.93265	0.7
99.04532	4.0
99.80012	0.7
100.02036	0.7
101.02435	7.0
102.02781	1.0
103.04010	22.1
110.81511	0.6
112.04077	1.0
113.02438	7.0
115.92145	0.8
116.07159	2.4
116.92864	4.3
117.92872	3.2
119.03502	3.7
120.01245	1.3
120.03854	0.9
125.06142	0.6
129.01906	1.6
129.05547	1.1
131.03529	0.6
143.03445	1.4
145.05014	1.0
146.08234	36.7
147.02946	1.0
157.15141	0.7
161.04582	1.5
162.04832	0.8
179.05621	2.4
191.01955	3.7
209.02927	2.0
218.10326	23.7
218.12491	1.2
219.10663	0.9
226.96497	0.9
227.96576	0.7
242.10400	1.2
244.16299	1.3
247.08238	8.3
260.11423	1.9
265.09283	23.7
266.09561	1.3
268.15839	0.7
285.13574	0.9
286.13831	1.3
307.10190	0.9
319.10312	7.5
320.11105	0.8
405.20981	1.4
406.21704	7.4
407.22641	2.9
466.19284	100.0
467.19901	6.8
488.81784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
66.91840	0.3
67.73670	0.3
71.00851	0.7
75.28736	0.3
85.06573	0.6
95.09521	0.3
117.69058	0.3
120.12748	0.3
141.09200	0.7
165.09244	0.6
227.71104	0.3
245.15471	1.6
269.15399	1.2
279.13654	0.4
307.16968	0.7
335.16394	0.9
337.21729	0.8
365.21179	0.4
391.26437	0.7
396.19388	0.5
419.22195	0.8
421.31119	1.6
431.25824	1.0
435.25339	8.9
436.25934	0.5
449.27072	1.6
465.30042	100.0
466.30380	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	465.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
57.03442	3.3
58.00587	0.8
59.01380	33.6
61.42556	0.4
61.98828	4.3
67.06938	0.4
67.67950	0.4
69.03455	0.5
71.01382	12.3
71.01778	0.7
71.30252	0.8
72.99303	0.5
73.02949	4.5
74.30194	0.5
75.00872	0.8
83.01389	2.6
85.02947	18.5
86.00093	0.7
87.00862	1.6
89.02441	4.8
94.10641	0.5
95.01379	1.2
99.00874	1.3
99.04538	1.1
101.02438	9.9
103.04004	1.4
109.06650	0.4
110.41044	0.5
111.00883	1.1
113.02456	4.3
115.00358	0.9
116.05972	0.5
116.25578	0.4
119.03497	1.3
119.04975	0.6
120.99659	0.6
125.09723	0.6
129.01929	1.4
137.02470	1.3
143.03549	0.4
147.03011	2.2
156.02199	0.7
159.02965	0.8
161.04512	1.3
163.04068	0.5
171.10246	1.1
175.02467	2.2
184.01707	1.0
191.01982	6.8
199.04005	1.0
199.13397	0.7
217.05003	0.6
217.14484	1.4
243.19624	0.6
244.07237	0.6
261.11420	0.5
261.24530	0.5
267.19766	0.8
285.20718	4.5
301.20490	0.7
303.13483	2.8
303.21753	14.6
303.25073	0.9
304.22180	0.5
405.25049	1.2
447.26120	2.5
448.26999	0.5
465.27130	100.0
466.27597	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	465.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01706	1.0
61.98827	3.8
65.86659	0.5
88.28996	0.5
89.96311	0.5
91.70970	0.5
98.20676	1.1
109.02947	0.9
131.53137	0.5
185.84737	0.5
196.26422	0.5
211.13402	1.1
227.18141	0.6
251.57277	0.5
297.18701	0.7
345.20651	1.1
347.22464	1.0
357.20877	1.9
375.21732	3.1
375.43649	0.5
405.22769	5.8
465.26086	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10999	0.4
51.12049	0.3
55.27100	0.3
59.01379	100.0
60.01711	0.5
61.75872	0.3
61.98833	1.0
66.91901	0.3
69.37790	2.7
74.99087	0.8
78.95911	1.1
85.02962	0.3
96.96007	2.6
98.20650	0.7
136.99161	1.0
152.81546	0.3
152.99648	0.4
213.84874	0.4
358.42578	0.3
405.22949	0.5
465.08820	0.8
465.25952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39878	0.4
55.01873	1.6
55.64932	0.4
57.03452	13.2
57.06836	0.4
59.01384	10.9
61.98833	3.0
68.99798	0.7
71.01384	5.9
71.05019	0.4
71.53448	0.5
72.99316	1.9
73.02944	1.4
73.55882	0.5
75.00878	2.4
77.14751	0.5
83.01395	2.8
84.02155	3.0
85.02953	100.0
86.03298	0.9
87.00886	1.6
88.98792	0.6
89.02441	1.4
95.89209	0.5
99.00885	0.8
101.02439	3.1
103.00375	1.9
103.36643	0.5
111.00877	4.7
113.02464	0.9
115.00362	0.9
123.04519	0.5
129.00984	0.6
129.01942	11.9
133.01454	0.4
145.01442	0.6
147.03004	13.6
147.04628	0.9
149.22968	0.5
173.00960	2.3
177.01918	0.6
189.01958	1.1
190.02666	0.5
191.01979	59.7
192.02379	0.7
209.02983	2.8
217.01396	1.0
217.05080	0.6
235.34151	0.4
253.16216	0.4
273.20685	3.3
274.21103	0.5
303.21771	3.2
311.71237	0.5
329.18109	0.5
341.06689	2.1
447.22363	1.6
465.12256	1.3
465.22699	7.7
465.27237	13.9
466.28131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
57.03448	13.9
59.01379	12.4
61.98822	1.4
62.73814	0.5
68.99829	0.7
70.36176	1.5
70.93454	0.4
71.01381	5.0
72.99313	1.7
73.02936	1.2
75.00874	1.8
83.01397	3.1
84.02168	2.1
85.02950	100.0
86.03309	1.6
87.00882	1.7
88.98775	0.8
89.02437	1.0
97.04089	0.5
98.20212	0.9
99.04472	0.6
101.02468	2.6
103.00379	1.7
103.04007	0.7
111.00883	4.7
115.00360	0.8
129.01955	13.2
139.76747	0.6
147.03008	13.3
173.00917	2.3
191.01974	53.8
192.02271	1.2
209.03018	2.2
241.73325	0.5
261.11325	1.3
273.20697	4.0
302.51724	0.6
303.21832	0.6
323.02927	0.5
348.99075	0.5
447.22397	1.7
465.23312	14.7
465.27652	8.1
466.23871	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01378	100.0
60.01717	0.8
61.98832	1.1
69.99517	1.5
71.01382	7.2
71.12582	0.4
73.02977	0.4
73.93473	0.4
85.02962	1.6
85.18298	0.4
89.02448	10.7
95.01407	0.5
99.04530	0.4
101.02443	4.2
102.78745	0.4
107.11034	0.4
113.02450	4.0
115.71327	0.3
116.92902	0.6
119.03506	6.0
126.46033	0.3
131.03540	0.4
143.03535	1.1
149.04582	0.7
153.70381	0.3
161.04567	2.0
179.05611	4.2
206.18805	0.4
222.78999	0.4
285.13562	0.7
298.86328	0.4
347.85291	0.5
405.21298	5.6
465.23901	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94887	1.1
55.01868	2.9
57.03432	3.7
59.01379	67.9
61.98828	8.3
63.83478	1.0
69.82137	3.4
71.01382	34.7
72.99329	1.1
73.02950	7.6
75.00903	0.9
83.01376	3.3
83.44304	0.9
85.02950	13.0
87.00858	1.8
89.02445	22.9
95.01379	2.0
99.00844	1.4
99.04509	2.3
101.01801	1.6
101.02441	25.2
103.04029	1.2
109.91702	0.9
113.02449	15.6
116.92834	1.4
117.42745	1.0
119.03500	13.9
123.08168	2.4
125.02470	1.5
143.03494	2.5
145.05038	2.9
149.09564	1.1
161.04550	8.2
165.12740	1.1
167.07094	2.0
178.94170	1.0
179.05623	7.4
195.13708	1.4
207.10329	2.2
225.14883	1.8
241.14465	2.0
243.15981	15.2
264.07870	1.0
285.13489	5.0
303.08878	1.3
307.10333	1.1
387.20157	1.1
405.21268	100.0
406.21686	5.2
460.03363	1.0
465.07187	1.5
465.19452	12.3
466.20737	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.3
57.03432	5.2
58.00568	1.1
59.01379	100.0
59.99911	1.3
61.98831	58.8
69.68723	2.2
69.69125	4.7
71.01382	36.3
72.99303	4.6
73.02949	25.0
75.00848	3.3
83.01377	4.7
85.02947	25.5
87.00880	7.9
89.02441	24.8
95.01377	3.3
96.95992	4.3
97.02957	1.8
98.20071	3.9
98.20648	1.9
99.00883	4.2
99.04507	3.0
101.02438	32.0
103.04007	11.6
107.82285	1.3
109.02939	2.0
113.02435	16.5
116.92832	2.4
119.03501	8.9
121.02930	2.3
123.04509	2.8
124.01663	1.6
125.02423	4.4
129.01936	4.5
129.05557	1.5
131.03471	1.6
135.04610	5.6
137.02390	5.5
149.04539	1.3
150.03191	2.4
151.00296	1.8
151.04016	2.4
154.01450	25.4
155.10767	2.0
157.08708	2.2
161.04535	10.4
173.09618	1.5
179.05600	10.9
191.01900	3.1
199.09752	1.5
209.04585	2.1
217.10770	5.5
223.06386	2.7
229.14536	1.3
239.05362	1.8
241.02055	1.7
243.16089	10.4
246.53745	1.3
265.09207	10.6
285.04160	1.7
285.16711	1.4
303.02222	1.6
303.12213	7.0
304.12146	2.0
307.10184	4.4
315.18192	1.5
387.20142	3.7
405.21292	54.8
406.21497	3.8
421.20319	4.1
465.05066	2.0
465.18613	6.6
465.24091	38.2
466.24112	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1915
Annotation	Staurosporine
Peak:m/z	Relative Intensity
59.01367	0.3
61.98821	1.1
64.65824	0.2
66.04053	0.2
77.03964	0.3
77.25318	0.2
78.95909	0.3
93.03466	0.6
105.63790	0.2
108.02225	0.2
121.02954	100.0
122.03267	2.0
122.52740	0.2
123.04515	0.4
133.03035	0.4
147.04517	0.6
152.99669	0.3
159.04546	0.4
161.06041	0.3
175.07613	0.2
191.07082	0.5
229.00156	0.2
328.13278	1.2
343.15497	6.9
344.15836	0.3
450.16779	0.6
465.19171	10.4
466.20032	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82328	0.2
52.97219	0.2
57.20954	0.2
59.01374	1.0
61.98831	100.0
69.26475	0.3
69.27089	1.6
71.01384	0.4
85.02943	0.4
86.96295	0.2
89.02448	0.3
135.67715	0.2
142.45427	0.2
325.92657	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1038
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
55.01884	1.3
56.32703	0.8
57.03448	9.3
59.01379	100.0
61.98830	97.6
62.98538	1.0
63.02390	1.1
65.00310	2.0
68.99835	1.0
69.49011	5.1
71.01382	31.6
71.04997	0.9
72.01717	1.1
72.99306	2.1
73.02950	7.1
75.00872	1.0
78.95912	2.0
81.03407	0.9
83.01389	8.6
85.02955	15.3
87.00880	2.4
87.03350	1.1
88.04049	2.2
89.02442	30.0
95.01376	3.2
95.05050	1.4
96.96008	3.0
97.02954	5.5
99.00899	2.2
99.04511	2.9
99.92569	1.5
101.02444	23.5
103.04005	2.2
107.01395	5.9
107.05028	1.5
109.02940	5.5
111.00858	2.0
112.98553	1.2
113.02445	13.2
115.04028	1.2
116.92867	7.4
119.03497	11.6
121.02930	2.9
122.03714	1.7
123.00854	1.1
123.04521	4.8
123.08149	3.7
124.01653	1.6
125.02447	85.9
129.01930	2.2
131.03516	0.9
137.02438	9.6
139.03986	4.1
140.78598	0.9
143.03464	2.5
146.08217	1.3
149.02438	11.5
149.04480	1.2
149.05997	1.1
149.09726	1.2
150.03194	1.4
151.00359	21.9
151.04018	2.5
152.01093	2.7
153.01929	22.9
153.05505	1.5
161.02434	1.9
161.04556	7.9
163.11259	1.2
165.01947	2.5
167.03464	2.8
167.07147	2.0
167.10768	2.5
174.03172	2.0
175.00365	3.6
175.03957	8.1
176.01128	0.9
177.01907	18.9
178.99847	15.5
179.05602	8.2
181.01448	11.4
184.57716	0.8
188.04761	2.1
189.05559	2.8
191.03479	2.1
195.02951	2.3
199.04036	4.4
201.02008	1.4
205.01363	1.5
207.10213	1.1
215.03522	1.1
217.05063	4.9
219.06633	1.4
225.15074	1.0
231.06598	1.7
241.05058	4.5
243.15984	3.2
244.07361	1.6
256.03653	1.5
259.06024	3.2
265.09235	3.4
275.05585	20.6
275.08524	1.4
285.04041	45.4
285.13422	8.6
286.04465	2.1
299.05423	8.2
303.05057	76.7
303.08643	17.3
304.05377	4.5
304.08838	1.6
309.04010	1.7
313.05447	1.1
315.07126	1.1
317.06702	0.9
327.05228	2.1
327.08603	2.1
341.05008	6.3
343.06757	6.0
387.20273	1.0
387.36935	1.1
405.21292	77.5
406.21704	3.7
423.22473	2.5
447.09171	3.4
465.09293	1.9
465.19501	17.6
466.19409	4.4
492.65283	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89610	0.2
59.01379	0.4
61.98829	100.0
69.71065	0.9
72.70396	0.2
85.02948	0.2
85.52618	0.2
89.02499	0.2
111.38838	0.2
142.83618	0.2
235.30298	0.2
240.13283	0.2
297.45673	0.2
444.20602	0.2
484.71613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3792
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
59.72489	0.5
60.15049	0.5
61.98839	0.6
70.01551	1.2
70.01945	1.5
75.79378	0.5
77.03905	0.5
90.94870	0.5
96.95979	1.2
120.05807	2.3
125.06099	2.7
135.08165	14.3
136.08473	0.7
137.06070	2.0
151.07713	0.7
153.09178	0.6
170.05843	1.8
179.79041	0.5
295.26443	1.6
395.07864	0.7
403.35730	1.8
405.34082	0.7
421.36871	26.4
422.37033	1.7
463.37921	100.0
464.32193	0.9
464.38269	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	463.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
57.03446	2.6
58.00597	0.9
59.01381	36.4
61.98841	3.5
66.74959	0.5
69.43427	0.4
70.90283	0.4
71.01382	12.2
71.05017	1.6
72.99306	1.7
73.02950	4.0
83.01394	2.6
83.05017	0.9
85.02956	12.5
87.00879	1.5
89.02443	7.6
95.01401	1.3
96.96032	0.7
97.02976	0.5
97.06583	0.6
98.20288	2.8
99.00892	1.4
99.04507	1.0
101.02436	10.0
101.06092	1.8
103.03990	1.7
104.49796	0.5
107.01386	1.1
109.02989	0.7
111.00873	1.7
113.02458	5.5
113.06044	0.5
115.07655	1.0
119.03487	2.1
120.99637	0.8
121.02944	0.9
123.04547	0.5
125.09668	0.6
126.93369	0.4
129.01935	2.1
129.09204	0.7
135.00867	0.7
141.05653	0.7
143.06917	0.5
147.03011	1.2
149.02284	0.4
151.00366	3.5
161.04562	0.9
167.03584	0.8
173.00980	0.8
178.99846	1.8
179.03456	0.5
184.62570	0.5
191.01979	2.5
197.11903	0.7
206.95830	0.5
209.11809	1.2
227.03532	0.7
227.12924	1.1
243.02940	1.6
255.02969	4.8
255.19760	0.9
265.09232	5.3
271.02460	10.4
283.19116	1.9
292.62695	0.4
300.02747	17.2
301.03519	11.4
301.10870	0.6
301.20169	14.6
302.03763	0.8
344.85989	0.5
403.19418	0.6
445.08002	1.2
445.24411	1.7
463.08804	14.3
463.25568	100.0
464.09183	0.9
464.25812	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	463.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09283	0.2
58.75168	0.3
59.01376	0.9
59.31747	0.2
61.24735	0.3
61.98821	1.2
78.95895	0.7
85.02959	0.3
91.27305	0.3
93.03457	0.9
96.96018	0.3
104.44183	0.3
104.92175	0.3
117.03462	100.0
118.03790	2.6
135.04539	1.8
151.00398	0.5
152.99573	0.9
161.02435	14.4
162.02849	0.3
178.40437	0.2
178.99866	0.5
179.03471	0.5
209.11986	0.5
221.19099	3.7
239.20206	0.5
243.02977	0.6
254.01909	0.3
255.02977	1.1
265.18048	3.1
268.03912	0.3
271.02457	1.8
281.21201	0.3
283.19107	4.1
300.02710	3.8
301.03491	1.6
301.20178	38.5
302.20535	2.1
302.23508	0.4
325.20044	0.4
379.73935	0.3
463.09061	3.1
463.23355	20.4
463.30460	0.7
464.23749	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33443	1.0
55.01863	4.2
57.03450	17.2
59.01381	52.9
61.98829	5.7
62.66928	1.0
65.64685	1.2
69.54904	6.4
71.01381	26.6
71.05029	1.2
72.99303	3.1
73.02544	1.8
73.02940	16.0
75.00857	3.1
78.45706	1.3
81.50387	1.2
82.95432	2.5
83.01369	8.1
83.05044	1.5
84.02171	2.6
84.26311	1.0
85.02950	88.4
85.06594	1.4
87.00871	25.4
88.29388	1.0
89.02435	9.7
89.46442	1.1
91.01841	1.2
95.01388	3.0
96.95981	2.1
97.06572	1.3
99.00866	2.8
99.04515	1.3
101.02445	17.7
103.00390	1.3
103.04001	3.5
108.02171	2.1
111.00859	13.7
113.02441	10.4
119.03493	3.9
120.26635	1.0
121.02953	18.1
122.28238	0.9
123.04518	8.4
123.08190	1.4
125.02387	2.3
129.01944	46.1
132.70763	1.3
133.06560	2.7
134.03775	1.2
134.26840	1.1
135.04567	1.8
135.98315	1.0
136.99077	1.3
137.09732	3.0
139.57649	1.1
143.03517	1.5
147.02988	4.7
150.03223	1.8
151.04034	1.3
152.01076	2.2
153.09160	1.8
153.12820	1.8
155.07137	1.1
159.02960	4.0
161.04565	4.4
163.11282	2.8
165.05420	1.2
167.03468	22.2
167.04776	1.9
171.10287	2.0
173.00890	9.7
174.49225	1.0
177.12846	1.9
179.05573	2.5
188.22987	1.3
189.05583	4.8
191.01984	3.7
193.05031	3.2
193.12166	1.3
193.15785	1.0
197.08075	1.0
205.12215	1.6
209.11798	17.2
211.13380	5.4
215.09236	4.0
215.12808	1.6
227.12865	3.5
234.67674	1.3
235.06041	2.7
240.13701	1.2
241.14433	54.1
242.14745	2.7
251.05650	7.2
253.09290	2.3
265.09265	4.2
295.04562	2.2
297.06119	4.1
300.02734	1.5
301.03607	2.3
308.82465	1.3
313.05582	2.4
313.16684	5.6
319.13956	1.8
341.05118	2.1
377.18259	2.5
403.19708	100.0
404.19888	4.8
419.19415	5.6
421.20499	1.5
463.17599	10.6
463.21976	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.1
57.03446	10.8
58.00595	14.5
59.01380	100.0
61.98836	18.0
62.38564	1.3
69.62580	6.8
69.62997	3.5
71.01024	2.9
71.01384	41.4
72.99287	3.7
73.02953	10.9
73.03284	2.6
83.01358	5.3
83.05015	2.7
84.02132	2.8
85.02949	71.0
86.03239	1.8
87.00838	6.8
89.01959	2.9
89.02448	41.1
91.01888	1.9
95.01406	2.0
96.95986	3.6
98.19866	2.1
101.01808	2.0
101.02435	25.2
103.03981	5.9
105.01927	1.8
108.02165	1.7
111.00887	9.1
111.01538	1.8
113.02444	17.2
116.78851	1.7
119.03503	14.0
120.99608	1.6
121.02968	15.3
122.06068	3.4
123.04475	6.7
124.07601	4.5
129.01939	29.4
131.03535	1.6
133.05298	2.0
133.06488	2.2
139.07695	1.5
143.03435	4.8
146.06105	12.1
147.02946	3.6
147.06755	1.5
148.07672	8.4
150.03189	2.8
150.05516	2.1
161.04607	8.2
161.05841	2.7
163.11185	2.7
165.05496	2.1
167.03519	12.3
167.05754	5.9
173.00813	7.0
174.05484	5.8
175.06284	3.0
176.06943	2.2
178.02487	1.7
179.05666	16.7
188.06978	2.2
189.05545	3.1
191.01878	2.1
193.05002	5.1
203.05920	1.9
204.06662	12.8
205.07330	3.5
207.05208	4.7
209.11823	61.0
210.11986	1.8
216.06653	1.5
217.07190	2.5
227.12914	11.6
235.05998	2.2
237.06348	8.5
241.07249	4.8
241.09587	2.5
241.14307	7.1
242.07991	2.3
243.11084	2.5
249.06290	5.1
251.05402	5.6
253.09329	8.5
255.11357	2.9
265.09250	11.7
269.12894	3.3
271.14481	15.0
297.06039	2.3
299.13831	6.2
311.13983	1.7
313.05502	2.3
329.15033	19.2
341.05112	2.6
343.12979	15.1
355.12619	5.4
355.26428	1.8
373.14020	98.2
374.14078	5.6
385.14066	11.7
403.14792	16.8
403.19431	66.2
404.19940	2.6
404.92282	1.7
409.13831	4.1
419.15692	7.5
427.14801	6.4
445.15799	4.3
463.16913	60.8
464.17355	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	463.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03447	8.7
59.01381	45.4
61.98811	2.4
62.29852	0.8
64.45824	0.8
67.16516	0.7
69.03447	0.7
71.01024	0.8
71.01382	12.4
71.78798	0.8
72.99321	1.1
73.02948	11.2
74.99055	0.9
75.00855	1.1
83.01369	3.3
83.05009	0.7
85.02958	26.8
87.00843	1.6
89.02444	8.0
93.07074	1.0
95.01360	1.0
95.04986	2.4
97.02941	1.1
97.06586	3.0
99.00854	1.2
99.04510	1.0
101.01893	0.9
101.02449	10.8
103.04012	24.7
108.02158	1.2
111.00867	1.4
111.04511	1.6
111.08166	7.0
113.02473	3.6
119.03471	2.3
121.02915	3.2
121.06563	0.8
123.04506	2.9
129.01947	6.6
134.03676	1.7
135.08157	3.7
137.06081	4.2
139.07646	1.1
141.05559	1.7
147.02966	1.2
152.01059	0.9
153.09227	5.0
155.07138	10.2
161.04504	2.3
167.03487	5.0
167.10754	1.0
171.10255	15.2
173.00876	1.5
179.05632	1.2
179.07063	1.6
191.02010	1.0
193.05026	2.4
195.10214	0.8
197.08141	5.1
209.11821	1.1
215.09235	24.3
216.09604	1.2
227.12868	2.4
241.14388	1.1
247.08113	1.9
251.05733	0.9
257.10339	6.8
265.09250	19.1
271.02570	0.8
300.02634	1.1
301.03519	0.8
307.10333	7.3
317.12357	5.4
319.13913	3.3
321.11728	0.9
361.14938	2.1
377.14606	7.6
389.14502	0.9
401.17999	1.8
403.15308	6.0
403.20096	2.1
419.19104	2.2
445.17130	1.7
463.18082	100.0
464.18298	6.5
475.22372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91210	0.9
55.01860	2.0
55.56001	0.8
56.25791	0.8
57.03440	6.6
58.00593	14.2
59.01379	39.2
61.98828	19.1
68.75952	0.7
69.56837	4.3
71.01015	1.0
71.01380	19.2
72.99307	1.7
73.02953	7.4
75.00862	1.2
83.01395	4.4
84.02139	1.1
85.02947	41.4
87.00887	4.7
87.01328	0.8
89.02438	9.2
91.01857	1.2
95.01351	1.6
96.95990	3.2
101.02444	10.0
103.04076	0.9
104.99844	0.8
108.02136	1.1
111.00903	5.3
113.02451	6.6
118.70648	0.8
119.03481	3.5
121.02959	9.0
122.06091	1.3
123.00853	1.2
123.04490	3.5
124.07638	3.0
125.02409	0.8
129.01945	20.4
131.03516	1.0
132.04515	3.7
133.06581	1.4
138.03148	1.2
146.06125	12.2
147.02971	3.2
148.07686	6.9
150.03185	1.1
150.05565	2.6
153.05490	1.9
153.09096	1.1
161.04648	5.2
161.05997	1.4
162.05475	0.9
164.04907	1.0
165.04242	1.7
167.02409	0.9
167.03516	10.5
167.05844	4.4
168.06612	2.0
173.00877	5.0
174.05595	4.2
175.06276	1.6
176.07063	1.5
179.05704	4.4
189.04182	1.1
189.05634	1.5
191.01976	1.8
191.05923	1.0
193.05096	1.1
195.05269	1.1
204.06633	13.1
205.07278	3.3
206.07957	1.2
207.05278	2.2
209.11789	3.4
211.13359	1.4
216.06697	1.4
217.07343	1.3
219.05498	1.2
221.11697	1.2
223.13164	1.2
226.12241	0.9
227.08131	1.4
227.12610	1.0
228.13876	0.9
229.13400	1.6
235.06126	1.9
237.06354	6.5
241.07471	1.5
241.09818	2.1
241.14445	10.1
249.06274	2.3
251.05527	3.5
253.13913	1.0
255.11272	2.2
257.12695	1.0
265.09137	1.1
269.12906	2.3
271.11401	1.5
271.14468	13.9
283.10748	3.4
295.04584	1.0
297.06015	2.5
297.12396	1.8
299.13916	4.0
313.12024	1.6
313.15955	1.8
329.15057	23.4
330.15411	1.8
341.15121	1.0
343.13046	6.0
355.12967	3.6
373.14032	100.0
373.18457	3.6
374.14331	7.4
385.14011	8.7
403.14890	9.2
403.19626	24.9
404.19910	1.6
409.13693	2.8
427.15152	3.9
445.16092	2.9
463.17041	57.7
464.11435	0.8
464.17178	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	463.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26516	0.9
55.01864	1.2
57.03453	8.0
58.00590	8.6
59.01379	44.4
61.98824	7.6
71.01386	17.3
72.99297	1.9
73.02933	5.2
75.00847	2.4
83.01381	3.6
84.24763	0.9
85.02950	36.4
87.00886	3.6
87.04472	1.2
89.02441	15.2
91.53291	1.1
95.01412	1.7
96.96026	1.2
98.20189	1.7
99.04501	1.7
101.02435	12.1
103.04021	2.0
108.60764	1.0
111.00880	5.1
111.04520	1.1
113.02454	7.3
119.03509	7.0
121.02935	5.3
122.06089	1.6
123.04498	3.7
124.07719	2.1
126.04474	0.9
129.01953	16.1
131.03484	1.0
132.04532	2.0
143.03516	2.0
146.06099	6.1
147.02982	2.4
148.07675	4.8
150.03224	1.4
152.01135	1.3
161.04559	4.3
165.04295	1.0
167.03473	9.5
167.05879	3.7
168.06584	1.0
172.08765	1.8
173.00867	3.3
174.05563	2.8
175.06296	1.6
179.05685	7.7
187.90079	1.1
189.05655	1.2
191.01976	1.6
193.05116	1.2
198.06743	7.9
204.06674	7.1
205.07463	3.1
207.05397	1.4
209.11818	19.0
210.12021	1.3
214.09830	1.6
227.12790	3.3
228.13963	1.7
235.06252	1.7
237.06422	5.1
241.07320	52.5
241.14314	5.2
242.07893	15.5
243.08871	6.9
251.05492	3.2
253.09314	2.4
256.09674	2.9
257.10349	2.6
257.12772	1.4
265.09253	5.4
269.12973	2.6
271.14490	8.7
283.10928	1.6
285.09964	7.5
297.06226	2.0
299.11160	2.2
299.14035	2.8
301.99319	1.2
311.11481	1.7
313.05740	2.3
313.11911	1.3
329.15091	15.1
330.15524	1.3
341.05099	1.5
343.12857	5.0
353.12704	1.5
355.12958	1.7
373.14041	63.2
374.14313	3.1
376.13855	2.4
377.14581	5.7
385.14084	6.6
388.29147	1.1
401.14722	3.2
403.14920	7.1
403.19684	24.2
409.14059	2.5
419.15683	100.0
420.16101	5.5
427.14966	3.9
445.15994	1.6
463.16861	30.7
464.16959	2.3
472.02521	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
57.03446	13.1
59.01376	5.7
67.01887	0.9
68.99818	0.6
69.17058	6.5
71.01380	3.6
72.99309	1.2
73.02952	0.8
74.99910	0.5
83.01373	4.4
84.02151	1.4
85.02947	100.0
85.08930	0.6
85.19046	0.5
86.03273	1.9
87.00874	1.6
89.02448	0.7
91.01894	2.0
101.02413	1.0
108.02187	1.8
111.00878	13.2
118.70669	0.6
120.11883	0.6
120.39927	0.6
121.02947	17.7
123.04529	8.9
129.01932	22.7
131.05005	0.8
133.06580	2.4
135.04512	1.4
136.27817	0.6
145.01369	0.7
147.02989	5.8
152.01149	2.5
161.06053	1.8
167.03479	20.6
173.00909	7.4
188.08696	0.6
189.05594	5.3
191.01952	4.2
191.52438	0.6
192.04303	1.1
197.09656	0.9
207.06703	0.9
209.11771	1.4
215.12967	0.7
235.06120	5.1
251.05646	5.0
271.02533	1.7
294.71884	0.6
295.04657	2.2
297.06195	3.1
300.02731	2.0
301.03470	2.0
313.05652	2.4
341.05118	2.8
418.49438	0.7
463.08701	1.7
463.26373	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94714	0.5
59.01374	0.6
61.09269	0.5
63.02406	1.2
65.00332	1.7
70.76395	1.5
78.48643	0.5
83.01334	0.7
85.02919	0.7
107.01379	3.8
108.02174	2.3
109.02982	2.7
121.02956	2.3
135.00856	1.9
148.01715	1.4
149.02422	0.7
151.00365	13.8
163.00378	3.6
164.01120	0.9
178.99854	6.0
183.04471	0.9
187.04044	1.1
190.99907	0.9
199.04044	0.9
201.05713	0.6
211.03986	1.2
215.03377	0.9
226.02739	1.8
227.03502	4.4
243.02977	15.5
244.03633	0.7
245.04552	2.1
254.02158	3.6
255.02974	30.4
256.03308	1.8
271.02457	75.9
272.02963	5.0
273.03989	1.1
283.02600	1.1
299.01978	1.5
300.02731	100.0
301.03470	55.6
302.03918	2.8
317.08972	0.6
356.89233	0.6
463.08792	97.3
464.09091	6.9
485.66653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01153	0.3
59.01380	3.2
60.46089	0.4
61.98833	1.8
65.00314	1.2
69.45814	2.4
71.01366	1.5
73.02950	4.5
83.01376	1.0
85.02944	3.3
87.04502	0.7
89.02431	0.8
91.01883	0.4
97.06605	1.7
101.02434	1.1
103.04012	2.6
107.01393	2.4
108.02168	1.6
109.02956	1.4
111.00816	0.4
113.02429	0.6
119.03497	0.7
120.38148	0.3
121.02950	2.6
124.01534	0.4
125.02422	0.4
129.01941	1.0
134.03694	0.6
135.00859	1.1
140.68677	0.3
141.05557	1.1
148.01642	1.2
149.02397	0.5
149.05981	0.3
149.08334	0.3
151.00368	11.9
153.09248	0.5
163.00371	2.9
164.01100	1.0
167.03395	0.4
171.10245	1.6
178.02438	0.4
178.99850	4.8
183.04460	0.5
187.03987	0.4
190.99974	0.4
193.01227	0.4
193.05000	0.6
199.03986	1.0
201.05507	0.8
203.03491	0.5
211.03961	0.7
214.02634	0.6
215.03519	0.8
215.09198	2.4
216.04282	0.6
226.02620	2.2
227.03497	3.5
228.03995	0.5
229.05026	0.7
237.62006	0.4
243.00441	0.6
243.02959	12.5
244.03569	0.8
245.04427	1.2
254.02228	2.7
255.02974	26.2
256.03452	1.2
257.10205	0.6
265.09192	2.6
271.02457	64.6
272.02930	4.1
273.04065	0.9
283.02466	1.3
299.01944	1.4
300.02722	100.0
301.03464	41.9
302.03870	1.3
307.10327	0.5
316.02222	2.7
317.02399	0.4
317.12323	0.6
319.13989	0.6
321.11703	0.6
377.14676	1.0
463.08798	84.8
463.17914	7.9
464.09082	6.2
464.18649	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.7
55.76713	0.7
57.03447	15.3
59.01378	4.7
71.01390	5.0
71.53536	1.4
72.99303	2.8
73.02950	1.8
77.27437	0.7
81.52964	0.7
83.01394	4.5
83.04955	0.8
84.02169	2.2
85.02950	100.0
86.03300	0.9
87.00886	2.4
89.02439	0.9
90.49197	0.9
91.01888	2.8
101.02431	2.6
103.03950	0.8
107.05128	0.7
108.02187	2.2
111.00882	14.1
121.02959	23.4
121.06429	0.7
123.04539	11.7
129.01944	44.9
129.09198	0.9
133.06589	2.6
135.04527	1.7
147.03000	7.2
150.03192	0.7
152.01157	3.0
159.02934	0.8
161.06047	2.7
166.02669	0.8
167.03494	24.9
173.00903	13.3
181.04980	0.8
189.05540	5.8
191.01929	3.6
192.04311	1.0
193.04893	1.7
209.11867	2.4
235.06134	4.6
241.14487	4.4
251.05579	9.2
295.04547	3.1
297.06155	5.4
311.66034	0.7
313.05670	3.9
341.05222	3.1
403.19690	7.8
463.08478	1.1
473.43918	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.9
57.03447	14.6
59.01375	6.6
68.99818	1.1
69.50231	4.9
69.50628	1.4
71.01375	5.5
72.99304	2.0
73.02948	3.0
83.01382	4.4
83.05016	1.4
84.02180	1.4
85.02948	100.0
86.03286	1.4
87.00878	1.3
87.04530	0.7
89.02448	2.3
91.01913	2.1
95.01395	0.8
101.02448	2.5
103.04008	2.7
108.02167	2.2
111.00172	0.5
111.00871	15.0
119.03461	1.3
121.02952	27.3
123.00923	0.8
123.04524	9.0
129.01942	38.8
133.06612	1.9
135.04532	0.9
147.03004	7.4
151.00366	1.1
152.01140	2.4
153.09267	1.3
157.06743	0.8
161.06078	1.1
163.11180	0.7
167.02158	1.4
167.03494	17.2
168.03671	1.0
171.10252	0.9
173.00899	11.3
180.09799	0.8
189.05600	3.8
191.01974	2.8
192.04250	1.7
207.06607	1.4
209.04503	0.8
209.11807	38.5
210.12126	1.3
215.09267	2.0
227.12859	6.4
235.06131	5.5
243.03078	0.9
251.05511	5.3
253.09314	4.8
255.03027	1.7
265.09299	2.3
271.02496	4.0
295.04660	2.4
297.06116	6.9
300.02689	6.8
301.03485	3.0
313.05634	3.6
341.05115	1.9
463.08847	6.6
463.17447	2.7
463.23117	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	462.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.1
61.01814	0.4
61.43219	0.4
61.98832	100.0
64.36086	0.4
70.71868	1.1
71.01390	1.3
71.95342	0.4
73.02950	0.4
81.85593	0.3
85.02955	1.6
101.02445	0.9
113.02483	0.7
119.03500	0.5
120.48682	0.4
138.53253	0.4
145.04895	0.4
175.55569	0.4
200.80739	0.4
218.56969	0.3
255.03082	0.8
261.50165	0.4
265.09076	0.5
271.02533	0.7
282.17886	0.5
300.02945	1.3
301.03479	0.6
301.20316	0.7
462.25168	0.9
463.09146	1.0
463.25616	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78553	0.9
57.03442	3.8
58.00589	3.5
59.01378	81.5
59.60340	0.9
61.98826	2.2
67.89352	1.0
69.03449	1.3
69.58700	1.8
69.59111	4.1
71.01381	47.0
71.05010	1.6
72.97517	2.0
72.99307	3.5
73.02943	24.5
75.00862	1.3
83.01380	3.0
83.05031	1.3
85.02947	15.0
87.00892	3.5
87.04520	1.9
89.02441	46.5
95.01385	2.8
97.02955	1.9
99.00884	2.6
99.04512	19.8
101.02442	23.4
103.04011	9.0
106.27311	0.9
109.02950	1.2
109.06606	2.3
113.02444	17.8
115.03983	0.9
119.03502	20.3
120.99682	1.1
123.08154	1.5
131.03465	2.1
135.48953	0.8
139.07640	1.1
143.03500	4.2
149.04645	1.5
156.57164	0.9
161.04553	3.9
163.11232	1.5
163.14937	1.1
167.61491	1.0
179.05620	9.2
181.12413	1.6
207.10223	9.4
207.14008	0.8
213.11243	5.2
221.11876	1.1
225.11322	17.1
227.12999	1.1
239.12733	1.5
241.01511	1.6
243.12373	1.9
253.09274	1.8
257.11789	5.1
265.09235	1.6
270.01611	1.3
281.17569	100.0
282.17935	6.9
386.53030	1.0
401.17123	1.3
401.22101	1.2
417.12521	1.4
424.35135	1.2
461.06668	1.2
461.19943	26.4
461.24475	17.8
462.19681	1.1
462.24838	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	461.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31432	0.8
53.36557	0.9
55.01884	0.8
57.03445	2.9
58.00590	2.4
59.01379	73.1
61.98830	1.1
69.42164	6.1
71.01381	39.4
72.99315	3.1
73.02945	21.6
74.62702	0.9
77.32600	0.8
79.95046	0.9
83.01366	1.9
85.02952	14.3
87.00871	1.9
87.04527	1.2
89.02444	43.8
95.01389	2.8
97.06588	1.2
99.03914	1.6
99.04517	18.4
101.01801	1.4
101.02438	18.3
103.04023	9.1
113.02446	13.6
119.03503	16.1
125.02413	1.4
129.01953	1.0
131.03516	2.6
136.99101	0.9
143.03493	2.9
149.04510	1.5
151.11256	1.2
161.04495	3.4
167.10722	1.4
179.05641	8.8
179.07079	1.5
190.87515	0.9
191.01978	1.5
207.13754	1.4
213.11336	5.9
225.11227	1.2
240.59314	0.9
253.06665	0.9
255.12415	2.0
257.11865	7.0
265.09277	2.2
270.01544	1.1
281.17566	100.0
282.17883	5.9
461.07074	2.6
461.19730	16.9
461.24219	18.8
462.24573	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.03445	3.3
58.00595	1.2
59.01381	13.7
61.98837	3.8
68.98917	0.5
69.03452	0.5
69.16660	3.6
69.17064	0.8
71.01380	9.1
71.01773	0.5
71.05025	0.5
72.99296	0.9
73.02946	5.2
83.01387	0.8
85.02952	19.2
87.00850	0.7
87.04549	0.5
89.02437	2.2
97.02945	0.5
99.00882	1.0
99.04503	0.7
101.02436	3.2
103.04013	31.9
104.04333	0.5
109.06602	0.8
111.08123	0.5
113.02438	2.0
119.03502	0.5
125.06067	0.6
135.01369	0.5
139.07634	0.7
142.60458	0.5
145.05051	0.8
153.09224	0.5
161.04546	1.0
163.14917	0.6
167.14459	1.7
168.72112	0.4
173.13289	0.5
175.02374	0.7
179.14409	1.2
183.13913	4.7
191.14465	2.3
195.13921	7.1
197.15497	2.1
207.10216	0.6
207.13844	1.2
209.15436	4.3
212.73836	0.4
213.14951	27.4
214.15276	1.2
225.11273	1.7
227.16508	9.1
237.14926	5.9
247.08183	0.9
255.16022	6.0
265.09332	3.4
386.73105	0.5
461.23901	100.0
462.24207	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	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13495	0.7
57.03449	1.4
58.00579	0.8
59.01381	60.7
61.98819	2.6
68.36910	0.7
69.03437	2.3
69.33541	5.9
71.01386	11.9
73.02953	3.8
85.02946	8.0
89.02444	8.9
93.94358	0.8
95.05017	0.7
96.96008	1.6
97.02967	1.2
99.00851	1.0
101.02454	5.6
103.04033	0.8
113.02456	4.6
119.03510	3.1
135.08200	1.1
138.06880	8.3
139.07675	1.2
143.03500	0.8
149.04607	0.8
151.07649	3.1
153.09216	49.2
154.09552	1.5
161.04529	3.5
165.09218	2.2
179.05620	2.1
188.08406	5.9
191.10796	1.2
201.09227	5.3
203.10770	6.9
206.09567	1.2
220.11154	0.9
221.11823	100.0
222.12148	5.0
239.12880	9.9
383.17255	1.2
401.18167	3.9
409.92987	0.8
461.20758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41736	0.9
59.01375	14.0
60.99301	12.6
69.69837	5.7
71.01377	4.2
73.02950	1.9
85.02950	4.4
88.98804	100.0
89.02435	13.8
91.09344	1.0
101.02441	1.6
102.92661	1.0
108.31095	1.0
113.02435	1.2
184.08827	0.9
191.02010	1.3
268.10800	1.1
310.54694	0.9
314.73492	1.1
461.06821	1.1
461.24783	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	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.3
57.03435	0.7
59.01379	100.0
60.01714	0.5
61.98835	1.2
63.32467	0.3
70.03502	1.4
71.01376	4.4
72.99309	0.4
73.02954	2.0
75.00877	1.1
80.05058	0.8
83.01382	0.5
85.02957	2.7
87.04559	0.3
89.00699	0.5
89.02424	2.1
94.86251	0.3
95.01379	0.4
95.05036	0.4
95.95271	0.4
96.96002	3.7
99.00926	0.3
99.04522	0.4
100.58415	0.3
101.02452	2.8
103.04029	1.0
109.06653	0.3
111.04508	0.3
113.02444	1.6
118.25880	0.4
119.03506	1.0
122.97603	0.6
125.98819	0.3
135.02985	0.7
143.03534	0.5
149.02406	0.4
152.03584	0.9
161.04532	1.8
179.05632	0.6
185.03841	0.8
210.07753	3.1
221.11957	0.4
226.06476	0.8
227.07205	1.1
260.03561	2.4
265.09409	0.8
291.12836	1.3
299.09500	0.4
321.11749	0.7
324.49576	0.4
341.16229	1.0
359.17023	2.6
389.12485	0.6
401.18173	5.2
402.18860	0.3
461.15588	1.2
461.21521	1.8
461.26056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48460	1.6
58.99599	2.0
61.98832	100.0
71.52668	2.2
75.77434	1.3
107.60905	1.4
164.62408	1.4
211.91606	1.5
229.95784	1.3
265.79721	1.4
293.21280	2.0
433.19650	1.5
459.47385	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2903
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
50.60393	0.3
61.98816	0.4
64.04290	0.3
70.75208	0.5
70.75555	0.6
80.10196	0.3
90.24885	0.3
103.81252	0.3
107.05026	29.8
108.05405	0.3
108.55081	0.3
119.74834	0.4
124.79242	0.3
147.08275	0.4
149.69604	0.3
163.11287	100.0
164.11586	2.3
179.34108	0.4
232.22261	0.3
238.10051	0.5
280.14673	0.4
283.17023	28.1
284.17468	1.2
295.17014	16.6
296.17413	0.8
351.08194	0.3
459.29016	82.4
460.29407	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55008	0.3
57.03447	0.6
59.01378	100.0
60.01714	0.9
61.98825	0.9
69.25697	2.1
69.26119	0.4
71.01382	5.7
73.02940	2.1
75.00893	0.2
83.01392	0.7
85.02944	3.1
87.00881	0.4
89.02438	3.9
95.01409	0.5
98.19936	0.5
99.00879	0.6
99.04543	0.6
101.02438	5.1
103.04040	0.4
107.05022	1.6
113.02439	2.7
119.03510	1.8
121.02929	0.6
143.03497	0.4
148.13321	0.3
149.06076	5.6
153.05608	0.4
153.18835	0.3
159.03029	0.4
161.04553	4.1
167.06107	2.1
167.10770	0.3
179.05663	0.6
182.25494	0.3
191.03494	0.6
211.04973	2.1
253.06253	0.4
255.02927	0.3
255.10249	7.0
255.12726	0.5
265.09363	0.3
279.15982	3.6
284.03290	0.8
289.01968	0.3
399.23843	8.1
399.28699	0.5
400.24380	0.5
437.58112	0.3
441.21899	0.4
459.13831	2.0
459.21582	2.0
460.24030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
57.03435	0.5
59.01378	100.0
60.01717	0.5
61.98829	0.6
68.99809	0.2
69.33450	1.1
69.33878	0.6
70.60703	0.2
71.01378	8.4
72.99305	0.3
73.02947	2.3
78.72498	0.2
83.00986	0.2
83.01382	1.2
85.02949	4.7
87.00901	0.4
87.04507	1.0
89.02437	2.4
89.02853	0.2
95.01399	1.2
99.00896	1.2
101.02436	4.2
113.02444	7.1
117.41485	0.2
119.03508	0.5
125.02450	0.2
129.02023	0.3
143.03564	0.6
157.53609	0.2
159.03012	0.3
161.04564	2.9
255.19701	0.5
279.16061	0.7
332.98187	0.2
339.38556	0.2
376.60901	0.2
399.23877	8.2
400.24527	0.7
417.24884	3.9
459.22244	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	459.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
55.52430	0.1
57.03453	0.9
58.00599	0.3
59.01379	100.0
60.01701	0.8
61.98844	1.0
62.15598	0.1
69.03502	0.2
71.01384	9.8
71.05027	0.2
71.53860	0.3
72.02148	0.2
72.99302	0.8
73.02948	2.8
75.00888	0.2
81.03492	0.2
83.01408	1.0
83.05011	0.2
85.02952	4.6
87.00896	0.7
87.04536	0.6
89.02444	6.6
95.01404	0.6
96.96030	0.3
96.98428	0.2
97.02990	0.3
99.00900	0.7
99.04516	1.6
101.02442	8.0
103.04008	1.2
107.05024	2.1
113.02456	4.0
115.04059	0.2
116.66632	0.2
119.03501	2.6
121.02991	0.4
125.02448	0.3
129.01961	0.2
131.03525	0.3
137.06061	0.2
137.09682	0.2
143.03549	0.6
147.04535	0.2
149.04692	0.4
149.06075	5.8
150.06445	0.2
159.03041	0.3
161.04552	4.6
161.05896	0.2
167.06133	7.5
167.10843	0.4
168.06517	0.2
175.14983	0.4
179.05595	1.2
191.01987	0.3
191.03506	1.6
193.08836	0.2
193.16045	0.2
205.03635	0.2
211.05119	6.3
211.09631	0.3
212.05511	0.3
223.05051	0.2
225.06671	0.8
227.03526	0.4
235.17104	0.5
237.15021	0.4
253.06108	1.5
253.10768	0.3
255.03113	0.8
255.10248	7.7
256.10770	0.3
265.09323	0.6
279.16016	9.1
280.16412	0.6
283.07208	0.3
284.03284	1.3
285.04065	0.4
297.07581	0.7
313.08423	0.7
355.09393	0.3
373.10608	0.7
399.23941	6.9
400.24338	0.6
417.21533	0.5
432.57318	0.2
441.21283	0.4
443.23172	0.2
459.08929	0.3
459.14325	5.4
459.22614	4.0
460.14636	0.4
460.23090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03443	1.2
57.40829	0.5
58.00605	1.0
58.34356	0.5
58.96846	0.5
59.01381	100.0
60.01711	1.3
61.01816	1.0
61.98835	7.5
69.03455	0.6
71.01383	19.8
71.13935	0.8
73.02950	18.6
73.03365	1.0
75.00889	0.6
83.01394	5.2
85.02959	7.3
87.00896	1.1
87.04530	1.4
89.02453	8.2
95.01408	1.3
99.00895	1.7
101.02445	16.9
102.02795	0.8
103.04018	2.3
103.80481	0.6
111.00852	0.8
113.02458	6.9
113.03180	0.7
119.03534	2.3
121.02980	0.7
125.02460	1.3
131.03447	0.6
143.03545	1.3
149.04622	0.7
155.10852	0.8
156.35634	0.6
158.19214	0.6
161.04555	5.1
167.10815	1.7
179.05745	0.6
191.01962	0.6
193.12376	1.7
211.09665	0.8
237.14926	0.9
255.16093	0.9
265.09448	1.2
279.15942	4.9
308.92273	0.6
373.18774	1.7
399.19690	1.2
399.24561	2.6
415.19736	9.6
415.24603	0.8
417.20380	0.8
417.24911	2.4
459.22913	11.5
460.23080	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	35.8
61.98826	5.9
62.09650	0.5
69.54893	2.5
69.55301	1.4
71.01382	3.9
71.82885	0.7
73.02949	2.1
83.01378	0.8
83.05013	1.2
85.02932	2.3
87.00869	0.5
89.02444	2.7
93.03429	0.7
96.95988	0.7
98.19536	0.5
101.02457	3.0
103.04018	0.6
108.31089	0.6
113.02441	2.7
119.03473	1.3
123.04495	1.4
147.08218	0.6
161.04562	1.2
201.11310	3.8
209.11806	0.9
210.06860	9.3
211.07634	100.0
212.07967	3.6
225.14902	0.7
240.04555	0.6
255.06644	2.0
366.29633	0.7
399.23923	1.4
417.24384	1.2
459.12402	1.0
459.18686	0.7
459.23856	5.6
477.34119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1872
Annotation	Apiosylepirhododendrin
Peak:m/z	Relative Intensity
57.03457	5.1
59.01381	100.0
60.01696	1.5
61.98839	4.0
67.30157	1.0
69.71595	1.5
69.72002	2.8
71.01384	15.4
71.32532	0.8
72.97516	1.6
72.99304	0.8
73.02952	4.6
83.01371	2.7
83.05042	1.1
83.49909	0.9
85.02957	18.4
87.00849	2.0
89.02448	10.9
95.01351	1.0
96.95972	0.9
98.20672	1.7
101.02450	10.4
103.04014	25.0
107.05041	1.5
108.08401	0.9
109.06604	1.3
113.02450	6.3
118.98086	1.3
119.03498	4.5
120.99663	1.0
121.02965	0.9
121.06600	0.9
123.08171	1.4
129.01877	0.8
131.08611	0.9
137.09746	1.5
139.11264	1.5
143.03484	1.5
147.08124	2.7
149.06036	2.3
149.09688	4.9
151.07666	0.9
161.04500	1.6
165.09221	1.6
167.10782	6.6
177.09183	1.6
179.05582	1.6
191.10880	1.2
191.17964	0.8
193.08658	7.7
195.10266	1.2
211.09752	11.3
213.11353	1.6
235.09697	2.4
247.08220	1.1
253.10852	1.3
265.09283	48.3
266.09558	1.7
295.63513	0.8
341.98026	0.9
357.15616	2.0
399.16333	4.1
417.17755	1.3
417.24829	0.9
423.18970	1.0
459.18674	68.1
460.19107	5.4
460.24982	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05791	1.5
57.03448	32.3
59.01379	31.3
60.96693	1.2
61.98828	100.0
64.08932	1.3
69.23392	12.4
69.45718	1.4
71.01391	9.3
73.02949	3.3
78.31284	1.3
83.01379	1.6
85.02972	3.9
88.98792	10.3
89.02456	2.9
95.21310	1.4
96.96011	2.1
98.95874	1.3
99.04517	34.9
99.05106	2.5
101.02439	14.9
113.02454	4.3
119.03502	1.7
123.66204	1.3
125.02428	16.2
126.38768	1.4
143.03491	3.1
148.04025	2.4
161.04552	6.8
166.05113	5.6
167.11203	1.4
205.05057	1.8
210.04037	4.1
223.06122	1.7
244.82492	1.4
251.11351	21.1
262.15302	1.3
293.12421	16.2
333.15692	2.0
395.15564	33.3
396.15762	3.7
398.12030	1.4
458.12601	2.5
459.11752	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	458.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	28.9
59.01380	35.4
59.33986	1.4
61.98830	100.0
64.79770	1.3
71.01374	6.3
71.29825	1.9
71.30157	1.7
73.02937	2.8
85.02948	7.9
86.91459	1.5
89.02434	2.9
92.66110	1.4
99.03932	2.1
99.04532	31.3
101.02435	13.4
104.05054	2.1
108.02090	2.0
109.46619	1.4
111.13342	1.5
112.50470	1.8
113.02456	3.1
119.04995	1.5
120.05383	1.6
125.02467	14.0
133.06583	2.0
143.03516	2.5
148.03973	2.0
161.04565	5.0
166.05087	7.7
186.05867	7.2
191.01981	1.9
206.05325	3.1
210.04083	7.0
233.10344	1.6
251.11342	11.1
272.08911	4.1
293.12354	12.3
395.15564	29.9
396.14700	1.6
458.12061	3.6
458.17996	1.8
459.15756	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	458.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53994	0.5
53.70809	0.5
57.03450	15.6
58.00596	0.6
59.01379	16.8
61.98832	100.0
66.78407	0.5
69.48886	3.3
71.01394	3.5
72.99334	0.6
73.02933	1.0
83.01393	1.0
85.02937	4.0
89.02448	1.3
96.95973	0.7
98.19926	1.0
99.00857	0.7
99.04523	18.3
101.02448	8.2
103.04024	0.7
113.02467	1.8
118.98096	0.6
119.05120	0.5
125.02454	5.9
129.01973	1.4
135.04559	1.3
143.03520	1.0
147.03053	0.6
148.04005	2.5
161.04614	1.5
164.04823	0.7
166.05052	5.6
172.06236	1.0
181.36989	0.7
208.03838	0.5
210.04134	4.6
223.06284	1.0
251.11298	4.7
293.12592	2.0
324.34314	0.5
333.15393	0.7
357.12601	0.7
395.15619	8.9
395.20380	0.7
414.15045	0.6
445.74643	0.6
458.12805	3.6
459.15271	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81227	1.2
57.03449	28.2
59.01377	35.3
61.98832	100.0
69.09055	1.3
69.65798	4.7
71.01383	8.9
73.02947	2.8
75.00876	1.6
75.43592	1.2
83.01396	2.3
85.02953	8.0
87.09332	1.2
88.98812	7.0
89.02457	3.9
98.20659	1.4
99.04515	30.0
101.02435	17.1
103.03989	9.4
104.05070	2.5
113.02444	3.9
119.05014	1.2
125.02435	14.0
133.06592	1.7
135.04533	1.4
143.03499	2.8
145.02968	1.7
146.03268	1.4
147.06613	8.0
148.04019	5.2
159.02936	1.4
161.04573	6.2
161.05905	1.4
162.06366	1.4
164.08282	1.5
166.05101	13.5
205.04996	1.8
210.04085	11.2
227.23253	1.5
247.08202	1.9
251.11314	12.5
265.09262	7.7
293.12399	12.7
313.05649	1.5
333.15637	2.0
395.15549	46.7
396.15701	1.6
398.11664	3.6
458.12103	5.7
458.18060	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	458.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
59.01378	5.5
61.98828	2.1
71.01379	3.0
71.53651	0.6
73.02949	0.7
75.00873	0.9
75.17448	0.5
81.48248	0.5
85.02967	2.6
87.00883	0.8
89.02438	1.1
99.04512	1.0
101.02449	1.4
103.03999	4.8
104.05059	15.3
108.85410	0.4
113.02430	1.0
118.05111	0.9
120.04520	2.7
121.36472	0.5
122.06125	1.6
129.01884	0.7
135.04486	1.6
135.05444	0.4
138.05632	0.4
141.00336	0.5
143.34248	0.5
144.03043	0.7
148.04048	43.7
149.04399	1.1
161.04471	0.7
163.03986	0.6
164.04578	0.6
164.08394	0.6
165.08850	0.8
166.05090	100.0
167.05513	2.7
178.06392	0.5
179.06850	0.5
192.02997	6.2
193.04961	0.6
193.08749	0.7
204.03999	0.6
206.04648	1.9
208.07242	0.4
210.04068	78.0
211.04405	2.5
216.09358	0.4
223.06062	0.9
224.05658	4.1
234.89053	0.5
247.08209	1.7
252.05127	5.1
265.09161	0.5
282.06271	0.7
312.07202	2.2
313.05438	0.5
315.10828	1.4
354.08224	0.7
357.11694	0.5
372.09464	0.7
397.65756	0.5
414.14606	0.6
440.12122	1.3
458.13022	45.2
459.13474	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	457.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.5
69.98759	3.4
71.01381	14.6
72.99293	1.1
85.02969	1.1
86.91625	0.9
89.02450	23.3
99.00836	0.9
101.02443	3.9
111.85300	0.9
113.02454	3.7
119.03498	3.6
120.72259	1.0
130.92978	1.0
143.03496	1.4
156.71617	0.9
158.16479	1.0
161.04559	1.6
176.42090	1.0
179.05612	5.2
277.21680	15.2
456.35538	13.1
457.36005	100.0
458.36465	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	457.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
58.00597	0.5
59.01377	100.0
60.01711	1.0
61.98833	1.6
69.03480	0.4
69.24229	2.4
71.01380	13.0
72.99323	0.8
73.02943	12.6
76.18511	0.2
79.43653	0.3
81.03461	0.3
83.01380	3.9
83.05007	0.2
85.02951	5.6
86.03311	0.4
87.00894	0.6
89.02441	5.7
95.01411	0.6
97.02959	0.7
99.00893	0.5
101.02438	13.0
102.02839	0.4
103.04035	0.9
113.02448	7.5
116.05168	0.2
119.03493	1.9
125.02447	0.7
131.03519	0.8
143.03520	0.9
147.03055	0.3
149.04591	1.0
155.03540	0.4
161.04553	2.8
163.04021	0.7
178.06345	0.6
179.05630	0.4
191.02028	0.5
193.08658	1.7
209.11787	0.3
253.18073	0.6
265.09454	0.5
313.05731	0.3
397.22263	3.6
398.22546	0.3
413.18326	1.0
415.23343	4.2
416.24692	0.3
419.08939	0.3
457.20758	1.9
457.25314	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59375	0.1
61.82663	0.1
72.00846	0.1
84.79355	0.1
99.92578	5.7
100.92706	0.2
100.93359	3.7
101.93401	0.1
113.92603	0.2
115.92074	100.0
116.92077	3.3
116.92856	6.0
117.92544	0.4
131.68454	0.1
132.92365	1.1
142.94429	0.3
155.95195	0.3
172.95459	6.6
173.95525	0.2
193.19542	0.1
254.77719	0.1
283.26398	0.7
383.18848	0.6
384.19559	0.2
399.18393	0.4
400.18909	0.2
409.20499	0.9
410.20782	0.2
439.21625	0.4
440.21387	0.2
457.22586	7.2
458.22946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
59.01380	100.0
60.01717	0.7
61.98826	1.7
64.70975	0.2
70.86223	0.4
70.86580	0.4
71.01376	4.3
71.01728	0.3
72.99308	0.3
73.02947	2.4
83.01395	0.8
83.05093	0.2
85.02946	1.8
89.02445	2.0
95.01374	0.3
99.00891	0.3
101.02451	4.0
103.04014	0.4
107.88912	0.2
113.02450	2.1
119.03533	0.7
125.02439	0.4
131.03461	0.3
135.98444	0.3
143.03482	0.2
161.04570	1.0
163.03981	1.2
163.68277	0.2
165.09259	0.4
178.06413	0.8
193.08713	1.4
202.07825	0.2
209.08226	0.5
251.01324	0.2
253.18205	0.3
265.09299	1.1
313.59464	0.2
397.22336	1.9
413.18301	0.4
415.23471	1.1
457.16614	0.7
457.22144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.2
57.03447	9.9
59.01382	29.5
61.98825	21.4
69.03457	2.4
69.49163	1.6
69.49471	13.1
71.01376	17.6
72.99306	1.9
73.02947	6.1
75.44138	1.5
77.00726	1.8
83.01395	6.4
85.02959	10.7
87.00875	3.0
89.02434	17.7
91.45674	1.9
92.31543	1.7
93.03452	10.4
96.96017	2.2
98.20670	1.7
99.00893	3.0
99.04518	9.4
101.02441	19.0
107.05032	2.5
109.02942	2.8
111.00870	5.3
113.02441	20.1
117.03467	7.4
118.98070	4.5
119.03494	6.3
119.05022	40.3
120.99670	2.1
123.04536	3.0
124.59984	1.9
125.02449	4.7
129.01982	2.0
131.03505	3.4
131.05042	2.5
133.02953	5.6
133.06593	69.1
134.03725	3.0
135.04494	2.6
138.03203	2.7
143.05051	3.9
145.02951	50.0
147.04552	1.9
148.04028	2.6
149.06081	6.8
159.04501	5.8
161.04546	14.7
161.06076	23.5
163.03998	7.7
163.07718	2.2
164.08408	7.7
166.05072	4.4
169.06599	2.1
171.04486	6.2
172.05362	2.6
173.06061	10.8
174.03180	1.8
175.03996	4.9
175.07487	2.7
177.05519	6.3
179.05525	3.0
185.05983	5.7
187.04045	4.1
187.07642	5.1
189.05560	2.8
189.09157	4.7
191.07085	4.4
197.06067	3.4
199.07588	3.8
200.04781	2.4
201.05667	2.7
203.03505	5.8
203.07166	13.6
205.05043	100.0
206.05324	5.0
210.04036	2.8
214.06331	5.7
215.07088	25.8
216.07556	2.2
217.04839	2.6
218.05785	4.0
219.06602	3.7
221.04541	2.4
229.04880	2.3
233.08194	37.6
234.08635	2.2
235.11932	2.1
236.06834	6.0
245.08255	1.9
247.06067	12.1
251.09132	12.7
253.06978	1.8
257.13989	3.1
259.06088	30.5
265.06860	2.7
277.07248	10.9
288.02145	2.2
293.12469	5.3
295.08051	3.7
394.13943	2.2
395.13519	9.8
397.11618	3.4
397.16937	5.1
413.14435	2.9
419.19241	3.5
439.12311	20.9
457.17383	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	457.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	0.8
59.01109	1.4
59.01380	15.5
62.05994	0.7
71.01383	8.3
71.18890	1.3
83.01405	0.7
85.02953	9.2
86.03277	0.7
86.59755	0.7
87.00893	1.3
89.02438	12.2
92.50330	0.8
101.02444	6.5
103.04008	17.7
113.02441	3.0
115.00357	2.4
119.02757	0.7
119.03517	5.2
129.87975	1.0
135.02991	1.0
163.92943	0.8
173.01004	0.8
179.05537	1.1
191.05626	1.9
265.09271	100.0
266.09659	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	457.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
58.00600	0.7
59.01376	19.6
60.12103	0.7
69.75079	4.1
71.01385	10.6
75.00867	1.0
78.95950	0.7
85.02950	10.5
85.47469	0.7
87.00881	1.4
89.02443	11.6
92.35230	0.7
95.01411	0.8
96.96006	1.0
98.20058	1.7
98.20641	1.2
99.00885	0.9
101.02441	7.3
103.04013	19.3
113.02460	3.7
115.00341	1.4
119.02715	1.0
119.03483	4.5
133.06612	1.0
135.02998	2.4
135.04532	0.8
145.02943	1.2
161.04579	0.7
182.30206	0.7
191.05630	1.9
205.05119	1.4
205.09639	0.8
221.39417	0.7
228.54758	0.8
233.08073	1.1
265.09268	100.0
266.09695	3.9
340.63812	0.8
348.51401	0.8
451.78372	0.8
472.23041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82074	0.6
57.03437	0.5
59.01378	46.1
60.01715	0.9
61.98828	100.0
63.99253	0.9
71.01389	3.8
71.54047	0.9
73.02949	1.9
78.95912	1.5
83.01388	1.1
85.02955	2.2
87.00902	0.7
89.02446	1.6
96.95992	0.8
96.96973	0.6
99.00876	0.8
99.04480	0.5
101.01884	0.5
101.02435	3.0
113.02466	1.7
125.02448	0.9
138.02695	0.5
161.04567	1.5
224.78603	0.6
226.33974	0.5
233.53375	0.5
307.17563	3.1
349.18597	4.4
353.21384	1.0
385.26096	0.6
415.23691	1.4
456.15378	0.8
456.24991	1.2
457.22791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
59.01380	17.1
61.98830	100.0
63.32552	0.4
69.71632	2.2
71.01386	4.2
72.50172	0.4
73.02949	6.8
77.27753	0.4
83.01386	2.1
84.55234	0.4
85.02950	6.0
89.02448	2.0
96.96024	1.3
98.20541	0.8
99.04521	0.6
101.02442	5.4
103.04015	12.1
107.10921	0.4
113.02454	2.2
119.03570	0.7
145.05122	0.6
145.08720	5.5
161.04567	0.7
187.09737	0.7
226.57700	0.5
247.08304	1.1
265.09283	6.3
265.11966	0.6
307.10324	8.6
390.93506	0.4
393.17642	44.7
394.17776	2.7
456.19690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82074	0.6
57.03437	0.5
59.01378	46.1
60.01715	0.9
61.98828	100.0
63.99253	0.9
71.01389	3.8
71.54047	0.9
73.02949	1.9
78.95912	1.5
83.01388	1.1
85.02955	2.2
87.00902	0.7
89.02446	1.6
96.95992	0.8
96.96973	0.6
99.00876	0.8
99.04480	0.5
101.01884	0.5
101.02435	3.0
113.02466	1.7
125.02448	0.9
138.02695	0.5
161.04567	1.5
224.78603	0.6
226.33974	0.5
233.53375	0.5
307.17563	3.1
349.18597	4.4
353.21384	1.0
385.26096	0.6
415.23691	1.4
456.15378	0.8
456.24991	1.2
457.22791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56884	0.8
56.53002	0.6
57.03442	0.7
58.00584	0.9
59.01382	44.1
65.80147	0.7
71.01383	32.2
71.52111	0.9
72.99294	2.0
73.02945	1.2
85.02946	4.8
87.00874	2.3
89.02447	52.1
95.01397	1.6
98.20376	1.1
101.02440	15.3
111.10432	0.7
113.02448	12.3
113.10916	0.7
114.05605	20.1
115.00362	5.0
119.03503	16.7
128.03517	4.6
131.03505	2.6
143.03505	3.9
149.04573	1.9
161.04565	5.3
179.05612	22.9
180.06084	0.8
180.52202	0.7
199.91096	0.7
281.08902	0.7
299.64557	0.8
319.42453	0.8
341.10873	100.0
342.11295	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	455.353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40828	0.1
59.01390	0.1
65.04169	0.1
69.71693	0.3
69.72123	0.4
94.61950	0.1
96.50367	0.1
136.77296	0.1
149.17787	0.1
195.13542	0.1
299.30771	0.1
341.96863	0.1
391.29794	0.2
407.33228	1.0
450.05414	0.1
455.35272	100.0
456.35611	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	455.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73307	0.3
52.79573	0.3
59.01373	0.5
68.00343	0.3
68.83484	0.3
69.98612	0.5
69.98999	0.7
70.59466	0.3
77.32019	0.3
81.13243	0.3
93.22282	0.3
98.20570	0.3
121.02957	100.0
122.03297	2.0
187.30687	0.3
212.66370	0.3
244.16176	0.3
266.70160	0.3
326.15759	0.5
333.24353	3.8
334.24792	0.3
405.51990	0.3
421.11209	0.3
455.35373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01379	100.0
60.01716	0.7
61.98820	3.3
69.03459	0.5
69.20779	2.7
69.46288	0.3
71.01379	3.8
71.05038	0.2
73.02944	2.1
83.01390	1.0
85.02943	2.6
88.98828	0.3
89.02460	1.5
98.19961	0.6
98.20620	0.5
99.00937	0.3
101.02436	2.8
103.04066	0.3
113.02457	1.9
115.00416	0.3
125.02476	0.4
127.05138	0.4
131.03525	0.3
143.03624	0.3
153.01985	0.6
161.04579	1.3
179.05774	0.3
189.12753	0.5
195.45320	0.3
244.82506	0.3
251.16519	0.5
265.09329	0.7
272.14957	0.3
303.14478	0.3
308.68649	0.3
316.14066	0.3
353.08667	0.5
395.20764	1.8
413.21661	1.6
414.22330	0.3
437.18686	0.4
455.24692	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	455.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57558	0.3
53.00212	0.3
57.03445	1.0
59.01380	19.6
60.01714	0.3
61.98832	8.7
67.26405	0.3
69.41589	0.6
69.41999	2.1
71.01381	2.3
71.21299	0.3
73.02943	0.8
75.00837	0.3
79.95741	2.7
83.01392	0.6
84.95120	0.4
85.02950	2.2
87.00883	0.4
89.02448	1.2
93.03467	0.4
96.96011	100.0
98.19873	0.4
99.04515	0.4
101.02441	2.3
103.04008	0.7
108.02171	0.4
113.02441	0.9
117.03501	0.6
119.03529	0.5
119.05014	1.3
125.02464	0.5
129.01926	1.4
132.14195	0.3
134.03792	0.3
135.04575	0.4
139.83928	0.3
145.02940	1.3
147.02957	1.3
152.03535	0.3
161.04552	0.6
161.06059	0.5
163.03996	1.0
179.00066	0.3
183.93646	0.3
184.42130	0.3
189.01923	0.9
193.05002	0.3
196.02534	0.6
201.11356	0.3
207.02971	0.6
207.06752	0.3
249.04117	0.5
257.01767	0.3
265.09213	0.4
275.13217	2.2
293.14163	0.6
309.06116	1.1
334.40698	0.4
369.08102	1.1
386.58719	0.3
386.73715	0.3
393.17447	0.7
413.21899	0.8
449.45923	0.3
455.19525	87.5
456.13766	0.2
456.19922	5.7
460.84204	0.3
482.46408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55281	0.8
55.01868	1.7
57.03190	1.4
57.03449	10.6
57.20145	0.8
58.00594	1.9
59.01379	100.0
61.98589	0.8
61.98833	9.8
67.69595	0.9
69.03447	1.1
71.01382	29.7
71.54311	1.1
72.99306	3.0
73.02948	9.4
75.00889	1.0
83.01393	5.1
83.05018	1.1
85.02952	42.2
87.00885	2.4
87.04507	1.1
89.02438	12.0
95.01374	1.2
95.05050	1.0
96.95983	1.4
99.00874	2.5
99.04504	2.1
101.01793	1.3
101.02441	17.2
103.04014	49.5
105.07093	0.9
106.06621	2.8
110.65878	0.9
111.00935	0.9
113.02444	8.3
117.05553	1.8
119.03484	3.6
119.05022	1.4
123.04499	0.9
125.02465	1.1
129.01878	0.9
131.04939	1.7
133.06590	1.4
134.03703	1.3
134.60287	1.1
137.02406	0.9
143.03485	1.3
143.04976	1.5
145.05002	2.3
147.04488	2.5
147.08022	1.0
149.06094	9.0
150.05574	2.5
157.06525	1.0
159.72055	0.8
161.04561	3.5
163.07602	1.7
163.11264	1.7
164.07144	2.1
189.09254	1.1
191.03493	3.3
192.04401	1.3
192.06592	1.6
205.08710	5.5
206.05827	12.9
207.06609	60.5
207.10147	5.0
208.06815	2.6
212.56427	0.9
221.08156	16.5
233.08145	1.0
233.15450	35.1
234.15794	2.4
247.08295	1.5
249.07687	11.4
249.10201	1.2
249.11110	0.9
251.13800	1.7
251.16498	31.6
265.09268	7.2
269.08234	1.2
293.17804	0.9
395.16168	1.4
395.20770	19.5
396.20660	1.2
413.21774	24.0
414.22159	2.0
455.15503	99.7
455.22708	39.7
456.15552	10.9
456.23035	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65766	0.8
57.03434	1.6
59.01372	6.8
60.99308	14.9
61.98822	2.1
62.06270	0.8
64.84478	0.8
70.22548	3.5
71.01378	2.9
74.99094	2.1
78.26416	0.9
78.95904	30.7
80.96510	2.8
85.02944	4.9
88.98807	100.0
89.02406	1.1
93.03466	1.0
95.01369	1.0
96.95981	2.5
96.96964	37.6
99.04499	1.2
99.92587	1.5
101.02431	4.4
103.22659	0.8
116.92861	23.4
117.01904	0.9
117.92905	1.4
118.98095	1.3
119.05025	20.5
125.02396	1.3
129.01100	1.2
129.01958	15.8
136.99118	1.3
138.05574	1.0
147.04395	0.9
163.04012	27.5
164.16980	1.0
167.60051	1.0
177.05521	2.2
199.00082	3.9
212.08253	1.8
213.01707	3.7
224.43002	0.9
241.07277	1.3
255.08752	2.3
256.66510	1.0
325.09283	3.4
365.14456	1.4
384.02170	1.0
415.66504	0.9
455.09848	12.6
456.10645	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	455.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35173	1.8
59.01368	9.4
61.02941	2.0
63.48262	1.6
71.01390	19.8
72.99310	5.7
84.53876	1.7
85.02952	5.0
87.00883	6.5
89.02466	5.2
93.11035	2.2
101.02441	3.9
109.34877	1.7
115.00368	37.3
119.05023	6.8
129.01981	9.5
133.01431	100.0
133.05054	37.9
135.04523	5.1
141.24995	1.7
159.04544	2.0
161.02461	3.4
161.04538	1.9
161.06104	2.8
163.03969	10.4
189.05553	29.4
196.78944	2.0
201.05519	3.8
213.05507	2.8
231.06598	5.3
233.04562	7.7
245.04523	3.1
275.05261	1.9
293.06573	8.9
311.09201	1.7
381.56995	1.7
455.11847	12.2
455.17010	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	455.138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24735	0.4
56.99768	0.4
59.01386	5.0
61.98821	0.5
62.35525	0.4
71.25303	0.9
71.47821	0.4
79.95737	32.6
80.96497	0.7
89.02446	0.5
95.94604	0.9
95.95229	20.3
96.96011	72.4
109.96788	0.6
110.97583	6.3
113.02475	0.5
121.02952	0.8
136.99133	6.1
141.95773	1.3
167.00192	49.0
213.82506	0.4
240.85648	0.5
273.04434	1.9
287.05826	1.0
301.07474	1.9
303.05310	0.8
317.06979	1.7
323.64804	0.5
409.09650	0.6
411.11014	0.8
425.09079	1.0
439.10669	1.4
440.11224	2.1
455.13794	100.0
456.14194	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	455.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87355	0.7
57.03440	1.9
59.01380	4.2
60.12499	0.7
60.99301	1.6
61.98829	4.2
65.05816	0.6
71.01392	1.6
71.53882	0.7
71.77900	0.6
72.97538	1.1
73.02956	1.2
74.99091	1.0
79.48022	0.6
79.95734	0.7
83.01364	0.7
84.95141	0.8
84.99014	0.6
85.02949	27.3
87.00878	0.8
88.98801	12.7
89.02456	1.3
96.96017	2.0
101.02441	18.8
101.03109	1.1
102.05603	0.8
109.02970	1.1
110.80336	0.6
113.02450	1.0
116.92874	3.6
119.05027	60.7
120.05354	1.5
120.99620	1.3
122.61490	0.8
129.01941	100.0
130.02229	1.5
135.04503	2.1
136.99113	0.8
138.05588	0.8
147.02994	0.8
149.06079	1.0
161.02452	0.9
163.04007	79.6
164.04337	2.0
189.05627	0.7
194.31664	0.7
231.06564	0.9
325.09323	4.5
345.81512	0.7
346.43805	0.8
358.39355	0.7
455.11496	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	455.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11638	0.4
57.03464	0.5
58.49719	0.3
59.01385	1.7
60.99304	0.8
61.98833	1.6
69.72234	0.8
69.72655	1.3
71.01387	0.7
73.02967	0.3
73.19178	0.4
74.99125	0.5
79.81110	0.3
79.95736	0.7
84.18169	0.3
85.02951	16.2
88.98804	7.1
89.02465	0.4
93.03458	0.5
96.96023	2.0
98.07480	0.3
98.19921	0.7
98.20592	0.7
99.04518	0.5
101.02442	10.4
118.98076	0.6
119.05029	78.6
120.05390	2.6
129.01945	56.9
130.02277	1.1
137.02342	0.5
147.02992	1.2
163.04012	100.0
164.04343	3.0
189.11401	0.3
190.09863	0.3
325.09271	15.8
326.09613	0.8
349.73859	0.3
410.75931	0.3
440.63062	0.3
455.11447	3.7
455.17093	0.4
469.60379	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77091	0.2
59.01384	1.8
61.98830	100.0
70.38998	0.2
84.36552	0.3
308.85205	0.3
354.21841	0.2
455.26224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08873	0.4
57.03448	9.1
59.01382	23.5
60.01717	1.1
61.98831	100.0
63.99252	1.6
69.65219	1.2
69.65632	1.7
71.01394	5.3
72.99306	0.5
73.02962	1.7
80.96522	0.5
83.01373	0.7
85.02944	3.2
85.06992	0.5
87.00878	0.7
88.98806	1.2
89.02462	2.3
95.01369	0.6
96.96016	5.2
98.19930	1.0
98.20593	1.1
99.00921	0.8
99.04520	7.2
101.02444	4.8
103.04043	0.8
108.02189	1.0
109.02998	1.4
113.02476	2.2
119.03484	0.9
119.04999	0.7
125.02460	2.8
135.04634	0.6
143.03499	0.6
150.03262	0.6
151.11334	0.7
152.01215	1.2
153.01935	0.8
161.04601	1.8
163.04025	1.0
172.40001	0.5
223.17056	1.7
231.10498	0.5
247.11952	0.9
250.07658	0.5
259.27786	0.6
260.03610	1.8
265.09280	0.6
267.16086	0.8
289.12982	1.2
297.18430	0.5
352.20749	0.6
391.16064	6.9
411.20242	4.2
428.04398	0.6
454.18118	0.9
455.12085	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	454.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.6
59.01379	23.4
60.01712	0.6
61.98830	100.0
71.01385	4.6
73.02948	4.0
83.01412	1.9
83.05045	1.2
85.02955	4.3
86.79263	0.6
89.02445	2.4
98.20026	2.4
99.04517	5.0
101.02443	5.5
103.03999	6.4
113.02477	1.6
119.03520	0.9
125.02470	1.5
127.03812	0.5
131.03508	0.5
137.02542	0.5
143.07146	1.3
161.04573	1.1
189.14954	0.6
265.09171	3.1
289.05658	0.5
307.10318	8.1
334.19684	1.2
352.20593	2.2
363.57214	0.5
391.16058	22.1
391.20944	1.1
392.16617	1.3
394.21576	1.2
401.15924	0.5
442.74341	0.5
453.33264	4.6
454.33914	1.6
455.14001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.5
57.52848	0.4
59.01379	35.3
60.01709	0.4
61.98831	100.0
64.55506	0.4
69.78831	2.0
71.01379	2.6
73.02917	0.9
76.61614	0.4
83.01391	0.4
85.02969	1.0
89.02450	1.5
96.96032	1.4
98.20686	0.5
98.39803	0.4
101.02441	1.9
103.03976	0.5
108.73881	0.4
113.02481	1.1
119.03505	0.8
132.38857	0.4
143.07169	0.7
161.04567	0.9
251.09108	0.5
305.16019	3.0
347.17117	2.0
391.16217	1.1
416.28250	0.5
448.15088	0.4
455.11984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58651	40.5
52.77646	41.6
54.37484	38.6
61.98817	54.1
70.27133	100.0
70.27537	78.6
83.09237	41.3
98.04985	44.6
102.69997	46.1
109.64474	47.6
133.45963	45.8
134.80391	47.4
140.86447	44.9
154.49855	37.8
198.39105	39.7
269.24884	68.3
308.80939	51.9
453.25848	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69659	0.3
57.03452	10.2
59.01382	9.1
61.98540	0.3
61.98823	1.7
69.69362	2.0
71.01392	2.8
73.02945	2.7
78.22911	0.3
83.01382	1.2
85.02956	1.6
89.02438	1.1
95.01405	0.4
96.96031	0.5
99.04524	0.5
100.14914	0.3
101.02439	3.9
103.04015	100.0
104.04358	1.2
111.40424	0.3
113.01744	0.3
113.02434	1.7
119.03498	0.7
143.03500	0.4
149.04530	0.3
153.37564	0.3
161.04552	0.6
189.23737	0.3
231.13852	1.4
249.14981	1.1
258.13757	0.3
393.19223	1.0
393.85260	0.3
411.20303	1.0
453.14413	0.9
453.21353	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	453.262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.61717	73.2
100.12860	76.4
110.52486	85.6
157.58743	88.4
217.95773	84.7
265.05038	73.6
280.98016	93.9
410.72940	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2132
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
55.01826	0.7
57.03435	2.0
58.00592	1.6
59.01379	100.0
61.98831	8.0
69.03439	1.9
69.83278	1.7
69.83697	2.3
70.94363	0.7
71.01382	40.1
71.01782	1.9
71.59253	0.8
72.99304	2.8
73.02947	43.8
75.00866	1.1
79.95737	7.7
83.01392	14.2
84.94067	0.8
85.02946	7.2
87.00842	1.0
89.02451	9.5
95.01340	0.9
95.95231	2.2
96.96018	14.3
97.02921	1.5
98.20409	1.8
99.00851	1.5
101.02443	49.9
102.02747	0.8
103.04039	1.4
113.02444	11.8
119.03500	3.4
125.02425	2.3
129.01978	0.9
131.03528	3.8
131.04796	0.7
137.02431	1.1
138.05565	0.9
143.03545	4.2
146.84682	0.9
149.04547	4.2
151.04066	0.8
154.22537	0.8
155.03479	1.0
160.01550	1.2
161.04562	10.8
174.01622	1.0
175.03996	1.0
187.14934	8.4
214.55678	0.8
217.56111	0.8
221.06604	1.3
231.13884	96.5
232.14296	3.6
249.14880	4.3
340.82492	1.0
354.78778	0.8
393.19455	1.1
393.24890	1.3
411.20227	1.9
414.11584	1.0
439.99551	0.8
453.12097	12.8
453.20892	3.6
454.13306	0.8
455.33704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99540	1.5
59.01369	2.6
61.98820	3.5
71.52204	2.2
78.95902	38.6
88.96678	1.6
96.96986	3.4
146.50381	1.3
152.99591	53.9
160.84178	2.3
171.00639	16.8
176.01485	1.3
185.35551	1.4
204.30315	1.4
225.18597	58.2
226.18886	3.1
227.03333	3.7
245.04303	100.0
246.04677	2.9
292.22620	1.8
453.22589	49.4
454.23138	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	453.213
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
55.01875	0.5
57.03452	1.4
58.00584	0.5
59.01380	25.9
61.98816	0.6
69.03448	0.4
69.34874	1.3
71.01379	8.6
72.99317	0.7
73.02948	5.8
83.01396	1.6
84.86192	0.2
85.02950	3.1
86.00098	1.0
87.00864	1.0
87.04517	0.4
89.02443	4.4
95.01397	0.7
97.02985	0.4
99.00890	0.8
101.02446	6.8
103.04045	0.7
107.98606	0.2
113.02448	3.3
119.03493	1.6
125.02464	0.5
143.03529	0.4
149.04597	0.2
161.04559	0.5
187.11320	0.5
189.12862	1.2
231.13881	18.0
232.14253	0.8
233.18184	0.2
249.14951	35.5
250.15343	1.6
261.14920	0.9
263.16513	0.6
291.16019	1.5
316.85428	0.2
319.15479	0.6
367.21512	0.2
393.19162	10.2
394.19467	0.8
411.20215	30.8
412.20609	2.4
453.21268	100.0
454.04871	0.2
454.21646	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	452.2781
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
52.60697	0.3
56.61854	0.4
58.39433	0.3
59.01367	0.3
61.58373	0.4
61.98837	0.9
71.51310	0.3
71.52711	0.5
74.06195	0.3
75.98856	0.3
78.95905	18.6
122.00122	0.8
140.01186	5.8
152.99557	1.8
164.52435	0.3
171.00638	0.5
194.68474	0.3
196.03795	9.4
196.05595	0.5
203.20602	0.4
207.94730	0.3
214.04848	1.6
237.22205	0.4
255.23288	100.0
256.23596	5.5
452.27814	36.3
453.27908	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1797
Annotation	Geijedimerine
Peak:m/z	Relative Intensity
50.57603	0.7
57.03439	1.1
59.01379	38.6
60.01727	0.9
60.41960	0.8
61.98827	23.3
69.42023	4.7
71.01375	6.8
73.02946	3.2
74.99101	0.9
79.95739	9.1
83.01359	1.3
85.02951	4.2
87.00904	1.0
88.98819	1.7
89.02443	2.7
93.37674	0.7
94.12018	0.8
95.95222	7.3
96.96007	100.0
98.19933	1.5
98.95599	1.5
99.00866	1.0
101.02435	6.7
109.02901	1.1
110.97587	2.4
113.02467	4.0
119.03508	1.3
120.99620	2.4
121.03002	0.9
122.97556	5.0
125.02439	1.6
127.95556	0.8
136.99098	1.1
143.03534	1.0
150.03246	0.9
151.03973	2.4
153.01947	7.4
161.04558	1.7
161.05942	1.1
165.05617	1.3
167.00197	3.6
168.04156	2.0
185.03876	1.8
195.06659	2.0
205.05000	1.4
212.54588	3.2
220.05789	3.5
249.13460	2.0
260.03577	38.1
260.53653	6.4
261.03485	2.2
261.07721	0.8
273.11731	2.0
291.12793	1.0
317.10416	1.0
333.19131	2.0
351.20093	1.3
365.03720	1.0
391.16162	1.0
393.17105	1.1
393.21451	1.6
409.14713	1.3
411.18741	5.0
441.12357	2.5
442.12534	1.2
453.17993	57.6
454.18143	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	452.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76440	0.2
53.82625	0.2
59.01382	2.9
60.01704	0.2
61.98828	100.0
69.40758	1.2
69.41188	0.4
71.01390	0.6
74.23810	0.2
85.02959	0.5
89.02464	0.4
96.96008	0.7
98.19919	0.4
101.02438	0.4
103.03992	0.2
104.16255	0.2
108.10925	0.2
113.02470	0.3
114.68526	0.2
120.99651	0.2
241.48343	0.2
245.33536	0.3
272.15833	0.3
392.23477	0.3
405.21072	0.2
452.21500	1.3
461.38528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00932	0.3
55.01870	0.7
57.03442	1.6
59.01379	100.0
60.01717	1.2
61.01816	0.4
61.12030	0.3
61.98828	16.2
62.98580	0.3
63.92882	0.4
69.49676	0.3
69.68805	0.9
69.69216	1.0
71.01385	7.1
72.99310	0.9
73.02934	3.2
77.81190	0.4
79.95698	0.7
83.01395	1.4
85.02948	3.5
87.00916	0.8
89.02443	4.0
95.01407	0.4
95.95239	0.4
96.96002	4.1
98.20106	0.7
98.20641	0.4
99.00893	0.7
99.04527	0.6
101.02435	5.4
103.04028	1.2
109.02998	0.5
113.02444	3.3
119.03530	1.3
120.99653	0.4
121.03030	0.5
122.03750	0.4
122.97605	0.7
123.04523	0.7
125.02471	0.7
141.09265	0.4
143.03500	0.6
143.95276	0.3
147.00626	0.3
159.01593	0.4
159.03012	0.7
161.04568	3.4
165.05597	0.4
167.03497	2.6
179.05656	0.6
203.09258	0.6
205.08557	0.4
215.10884	0.4
254.69888	0.4
260.03751	1.2
260.53625	1.7
261.03607	0.5
265.09406	0.4
289.10883	0.9
289.20258	0.4
331.17770	0.9
349.18710	1.2
391.19852	0.8
391.23602	7.0
407.19287	1.0
441.12292	0.6
442.12885	0.5
451.18359	2.6
451.25644	2.4
452.16446	0.5
452.24689	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38016	0.7
55.01883	1.6
56.07529	0.7
57.03453	7.9
59.01380	100.0
60.01721	1.7
61.01808	0.8
61.98830	34.6
71.01382	16.1
71.53906	0.8
71.54314	0.9
72.99337	1.3
73.01159	0.9
73.02956	5.4
75.00876	2.1
79.95754	0.8
83.01414	3.3
85.02950	11.8
87.00894	1.9
87.04516	2.1
89.02448	6.7
93.03457	1.3
95.01395	1.6
96.96004	1.9
98.20580	0.8
99.00885	2.5
99.04519	6.1
99.08024	0.9
101.02449	15.0
101.03106	1.0
102.02759	0.8
103.04013	4.2
105.04420	0.7
108.02192	2.0
109.03003	1.1
111.00877	1.5
113.02464	5.7
114.68118	0.8
117.77093	0.8
119.03512	2.3
123.04537	2.1
125.02476	3.3
126.91351	0.8
129.01947	1.1
135.04562	1.2
139.63226	0.7
143.03513	0.8
144.43918	0.8
159.02948	1.3
161.04556	8.7
175.04259	0.8
181.05066	1.2
185.11931	0.8
189.01942	1.5
201.11127	0.8
202.02776	1.6
217.01492	1.3
220.18439	0.7
229.18179	0.8
265.09418	0.8
266.09695	0.9
271.19141	1.8
289.20197	2.0
295.73166	0.9
307.17743	1.3
341.06873	1.3
349.18866	1.1
357.06421	1.1
391.23358	33.6
392.23666	2.7
407.09927	0.8
451.11398	1.5
451.20947	10.3
451.25641	24.7
452.26285	1.4
458.95261	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25354	0.5
55.01888	0.5
57.03447	0.9
58.00606	0.5
59.01379	100.0
60.01723	2.4
61.01812	1.7
61.98832	9.6
69.20048	4.5
71.01378	9.1
73.02940	2.6
78.28445	0.5
83.01398	1.1
83.05030	1.6
85.02948	3.7
86.03285	0.5
87.00879	0.8
89.02438	5.4
90.02794	0.7
91.02870	0.7
95.01379	0.6
98.20602	1.1
99.04537	1.7
101.02440	7.8
103.04027	1.2
113.02451	3.4
118.98068	0.8
119.03499	2.2
123.04569	0.6
125.02469	0.6
140.73700	0.5
153.29503	0.5
159.02962	0.8
161.04561	4.7
165.12851	0.8
167.03458	1.1
179.05544	0.6
184.09157	0.5
203.12897	1.0
209.11783	2.3
209.14388	0.6
210.12111	1.6
211.12357	1.5
224.17726	0.6
225.14767	0.6
227.15634	0.8
264.18521	0.5
269.13904	6.1
270.14282	5.1
271.14474	7.6
271.19101	0.6
272.14841	0.7
309.10938	0.6
329.14526	0.6
331.17566	0.7
349.18661	0.8
391.23422	19.8
392.23572	1.3
411.01761	0.7
435.22223	2.3
451.20636	24.2
451.25348	2.4
451.32050	6.9
452.20938	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96212	2.7
59.01389	6.1
61.98823	3.9
69.80540	11.4
69.80962	4.4
71.01379	7.9
75.00880	18.1
99.24767	2.7
101.02413	5.2
116.04343	3.2
145.38074	2.9
264.19363	3.0
277.21710	100.0
278.22018	4.6
319.22815	22.2
326.97916	3.0
331.22809	6.9
349.23703	8.9
386.26599	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.3
57.03451	6.0
58.00592	1.5
59.01380	73.4
59.36629	1.1
61.98544	1.3
61.98832	15.1
68.93607	1.0
71.01381	20.7
72.99266	1.3
73.02947	19.7
78.95892	1.4
83.01389	12.5
85.02947	28.9
87.00883	1.6
89.02447	11.7
99.04472	1.6
101.02441	20.2
103.04012	50.8
113.02445	10.6
117.05479	1.4
119.03470	4.7
123.04546	1.2
125.02359	1.4
131.03517	1.6
143.03427	1.2
143.10704	3.5
145.05066	1.6
161.04509	2.2
203.12869	12.1
209.11768	1.2
227.12856	2.0
230.38724	1.5
244.08104	1.2
247.08133	4.6
265.09286	21.5
269.13858	1.9
271.14395	3.3
271.19189	1.5
285.40524	1.1
307.10336	44.6
308.10577	1.6
391.23355	4.1
451.21539	100.0
452.21826	9.6
467.81110	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1244
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03444	1.7
59.01374	4.8
61.98838	2.8
62.73547	0.5
69.03462	0.5
69.23200	4.6
71.01373	1.7
72.99310	0.6
81.03458	1.7
81.70231	0.5
83.01391	1.9
85.02959	0.9
89.02441	1.7
93.03477	1.1
95.01372	0.7
95.05021	2.1
96.96022	3.6
97.02966	3.6
98.19968	1.4
98.20650	1.1
99.04541	0.8
100.28793	0.6
101.02429	0.6
108.02168	0.7
109.02952	19.1
111.04561	0.7
113.02473	0.8
116.92854	3.0
121.02952	2.2
122.03776	0.6
123.04527	11.5
125.02435	11.6
125.48997	0.6
135.04520	1.6
137.02444	9.2
139.04002	3.1
145.02951	1.2
147.04468	0.7
149.02475	5.6
150.03226	2.3
151.04018	6.3
155.03474	0.5
159.04518	1.1
160.05289	1.0
161.02422	1.8
161.04738	0.8
161.06076	4.6
162.03214	1.3
163.03978	1.3
164.01144	2.1
165.01920	3.4
166.02655	0.5
167.03487	1.4
174.03300	0.9
175.03989	1.7
175.07735	1.0
179.03505	4.5
179.05127	0.5
179.05641	0.5
181.08592	0.8
185.06090	0.6
187.04030	3.5
188.04797	3.0
189.01945	0.7
191.05602	1.5
199.07628	0.6
202.06363	1.5
203.03552	0.9
203.07152	10.6
203.08908	0.4
205.05069	6.6
209.04562	1.3
221.08177	2.0
227.07155	1.9
229.04927	0.5
230.05928	0.7
231.54958	0.5
239.05685	0.8
245.08195	14.3
247.06068	1.1
265.09299	0.6
271.06168	1.6
289.07178	100.0
290.07477	5.4
313.07114	1.7
451.12601	3.0
451.22388	0.6
452.21393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1242
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.71592	0.4
57.03442	2.3
58.53800	0.4
59.01378	2.2
61.98809	1.3
69.79832	0.6
69.80238	1.4
71.01379	1.5
72.99318	0.7
75.42041	0.4
81.03442	2.1
83.01371	2.4
83.05011	0.6
85.02959	1.2
89.02435	0.8
93.03471	1.1
95.05013	2.6
95.09190	0.4
96.23136	0.5
96.96031	1.9
97.02940	4.3
99.04500	0.6
101.02406	0.6
107.05032	0.5
108.02226	0.7
109.02949	17.3
109.03699	0.9
110.03266	0.6
110.38601	0.4
116.92859	0.5
121.02992	3.2
123.04527	12.4
125.02437	13.1
135.04546	1.6
137.02438	16.5
138.02811	0.5
139.04007	2.7
140.04369	0.6
145.02954	0.5
146.03732	0.9
147.04541	0.5
149.02444	5.0
150.03180	0.8
151.02904	0.6
151.04018	8.0
157.06625	0.5
159.04483	1.2
160.05272	0.8
161.02437	5.9
161.06046	4.3
162.03172	1.4
163.04007	1.6
164.01131	3.1
165.01926	7.7
166.02405	0.6
167.03474	1.7
173.05975	0.6
174.03255	0.4
175.03996	1.3
175.07660	0.9
177.05495	0.7
179.03482	5.7
179.05081	0.5
179.05659	0.5
180.04111	0.4
185.06033	0.7
187.03992	3.3
188.04771	2.8
189.01952	2.0
191.03555	0.6
191.05605	0.6
199.07582	0.6
202.06259	1.9
203.03607	0.7
203.07132	10.2
204.07510	0.9
205.05020	7.7
212.04707	0.7
217.08699	0.8
220.85135	0.4
221.08168	2.1
227.07097	1.7
229.05136	0.6
231.02982	0.7
241.08679	0.9
245.08180	16.2
246.08524	0.8
247.06085	1.1
271.06189	1.0
289.07166	100.0
290.07553	5.6
297.64859	0.4
299.07706	1.7
313.07236	1.4
335.13516	0.9
451.12378	10.4
452.12781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03492	0.1
59.01382	2.0
60.01728	0.3
61.98830	100.0
68.22827	0.1
69.55007	0.1
70.09962	0.4
70.10354	0.3
71.01392	0.5
73.02965	0.2
75.79134	0.1
79.05563	0.2
83.01408	0.2
85.02970	0.4
89.02453	0.5
96.54914	0.1
101.02442	0.4
110.69493	0.1
113.02449	0.2
125.02465	0.2
139.02440	0.1
159.98621	0.2
161.04639	0.2
222.78783	0.1
390.21793	0.2
450.20566	0.5
451.22061	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45402	0.5
57.03450	2.8
59.01381	15.2
61.98832	4.6
69.41632	1.3
69.42049	3.1
71.01381	4.5
73.02946	1.8
74.99108	0.5
75.00863	1.0
80.91681	1.1
81.03455	2.2
83.01402	2.9
85.02948	3.9
87.00844	1.0
88.98808	1.5
89.02441	3.9
93.03448	0.9
95.01413	0.8
95.05029	2.4
96.96015	7.3
97.02950	4.4
97.06610	0.6
99.04540	0.8
99.92602	0.8
101.02431	3.5
103.04001	0.8
108.02184	0.7
109.02946	16.8
110.43050	0.6
111.04552	0.9
113.02452	1.8
115.92085	0.8
116.92867	0.7
119.03512	1.1
121.02963	2.4
121.04186	0.5
122.03754	0.9
123.00927	0.8
123.04523	12.8
125.02441	13.8
128.03413	0.6
133.03011	0.6
135.04529	2.7
136.49530	0.7
137.02443	16.5
138.03032	0.6
139.03967	3.3
143.03455	0.8
146.03712	1.0
147.04578	0.7
149.02425	4.7
150.03212	2.4
151.04016	7.4
153.09074	0.6
159.04509	2.3
160.05235	1.3
161.02426	5.3
161.04695	1.0
161.06088	4.3
162.03206	1.9
163.04024	2.4
164.01164	2.5
165.01930	7.5
165.05492	1.0
166.02684	0.7
167.03520	3.1
173.05894	0.8
175.03871	2.7
175.07613	1.6
176.90428	0.6
179.03505	5.2
179.04897	0.6
179.05632	0.7
185.06061	0.7
185.67683	0.6
187.03990	3.8
188.01149	0.6
188.04785	3.6
189.01903	1.3
195.06599	1.8
201.05588	0.7
202.06337	2.4
203.03520	1.0
203.07101	11.7
205.05038	7.6
221.08086	2.5
227.07097	2.0
245.08163	17.7
246.08507	1.0
247.61256	0.6
271.05988	1.1
271.09595	0.8
289.07172	100.0
290.07465	6.2
299.07669	1.4
302.94623	0.6
313.06973	1.1
347.17200	1.0
391.15582	1.0
391.20093	1.0
407.14532	0.8
451.12344	11.2
451.22244	3.0
452.12732	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.4
58.00603	1.1
59.01380	100.0
59.52610	1.0
60.01707	1.0
61.98836	12.1
69.50578	1.8
69.50992	4.7
71.01382	22.9
72.99329	1.1
73.00844	0.9
73.02956	7.3
75.00865	1.3
83.01351	2.2
85.02952	15.8
87.00880	1.8
87.04508	1.6
89.02448	16.4
95.01385	2.1
96.96027	1.1
97.02948	1.0
98.19997	1.7
98.20600	1.8
99.00886	1.9
99.04517	1.9
101.02435	17.9
103.04000	10.2
113.02458	10.0
119.03506	7.2
121.10255	1.5
125.02421	1.1
125.06127	1.2
130.21002	0.9
131.03488	1.4
143.03500	2.4
147.02983	0.9
159.03024	1.1
161.04555	12.1
178.09764	0.8
179.05615	2.8
181.38516	0.9
183.10300	3.8
191.01921	1.3
191.05609	3.8
201.11305	12.3
219.55376	0.9
227.12985	1.0
227.16560	1.8
243.12399	3.5
247.08173	1.1
265.09311	1.9
269.13873	1.9
389.21823	28.1
390.22101	3.1
437.88589	1.0
449.19305	15.0
449.23898	46.1
450.24100	3.5
457.14795	0.9
468.15216	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35228	0.3
55.01893	0.4
57.03443	2.0
58.00604	0.7
59.01380	100.0
60.01720	1.0
61.01812	0.4
61.98834	7.2
68.24329	0.3
71.01382	12.5
71.53415	0.4
71.53809	0.5
72.99319	1.0
73.02946	4.1
75.00857	0.4
81.03442	0.7
82.01211	0.3
82.95435	1.0
83.01384	2.3
85.02954	6.8
87.00853	0.8
87.04560	0.4
89.02448	6.3
93.03475	0.5
95.01401	0.9
96.96040	1.3
97.02956	0.4
98.20372	0.4
99.00883	1.5
99.04511	0.5
101.02442	9.8
103.04022	0.9
107.01406	0.4
107.04990	0.4
109.02984	0.6
113.02452	5.8
119.03481	2.4
120.99709	0.4
121.02963	0.5
123.04559	0.5
123.95492	0.3
125.02467	3.0
128.03542	0.4
129.01962	0.6
131.03456	0.5
143.03577	0.8
151.00395	1.2
153.01900	0.5
159.03030	0.8
161.04556	4.4
165.02151	0.6
173.06108	0.5
177.42755	0.3
178.99879	1.0
179.05667	1.2
191.02045	0.4
201.07668	0.4
215.07149	0.5
243.06685	0.4
245.17764	0.7
251.52005	0.4
257.13748	0.4
259.06055	5.0
265.09390	1.1
283.06076	0.8
287.05679	3.4
311.33658	0.3
389.21841	20.1
390.22064	1.7
405.17462	0.7
406.40555	0.4
407.22897	1.8
421.11624	0.5
433.21030	1.0
449.10858	0.6
449.19186	2.7
449.24365	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81435	0.6
55.01876	1.9
55.97189	0.6
57.03444	3.6
59.01382	100.0
61.13022	0.7
61.98834	3.2
69.03433	0.6
69.27060	1.0
69.27412	6.3
69.52201	0.6
71.01382	21.3
71.05016	0.9
71.33561	0.6
72.99329	1.1
73.02950	7.1
73.50305	0.5
79.50388	0.6
83.01389	4.1
83.04623	0.6
85.02951	14.4
87.00886	1.8
87.04536	2.7
89.02451	8.8
95.01403	2.1
97.02940	0.8
98.20612	1.4
99.00863	3.3
99.04529	2.0
101.02449	18.4
103.04014	5.2
111.00933	0.9
113.02461	9.7
119.03516	4.1
125.02507	1.3
127.11246	0.8
129.01920	0.9
139.07658	1.1
143.03465	1.6
157.12486	0.6
159.03011	1.8
161.04555	9.1
171.10324	1.1
179.05679	0.8
191.02023	0.8
201.11292	3.2
209.15543	0.8
225.11307	2.1
227.16447	1.6
229.04955	0.7
265.09341	3.3
329.06522	1.4
344.09009	1.3
371.20554	1.8
375.23984	1.1
389.21802	90.0
390.22119	6.0
401.30078	0.7
419.13638	1.1
433.20752	0.7
449.13919	1.2
449.19336	14.4
450.20184	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03444	0.5
58.00590	0.6
58.59146	0.3
59.01379	100.0
60.01720	0.8
61.98830	6.1
69.03459	0.5
69.88239	0.5
69.88654	0.9
71.01381	12.7
72.99313	0.7
73.02946	4.2
83.01379	2.2
85.02950	4.8
87.00883	0.8
89.02444	6.2
91.31031	0.3
95.01407	1.3
97.02972	0.5
99.00867	1.4
99.04536	0.5
101.02444	13.3
102.59409	0.3
103.04050	0.3
105.22010	0.3
113.02445	6.2
113.03175	0.5
119.03506	3.7
125.02425	1.4
129.05608	0.9
138.01942	0.5
143.03529	0.9
159.02954	0.7
161.04547	3.7
178.04834	0.4
179.05672	1.1
179.14476	1.0
227.16522	0.7
239.16537	0.5
245.17564	4.6
265.09201	0.3
269.17657	1.2
281.17700	0.6
287.18820	0.6
311.18701	2.1
389.21854	7.4
390.22488	0.5
407.22839	14.3
408.23431	1.2
449.24112	4.5
450.24313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2391
Annotation	Vanoxerine
Peak:m/z	Relative Intensity
55.01881	1.0
57.03450	2.6
58.00596	1.6
59.01380	100.0
61.98830	7.5
63.69600	0.7
67.76318	0.7
71.01379	23.4
72.99344	2.3
73.02947	5.7
83.01436	1.9
85.02951	11.8
87.00915	2.3
87.04547	1.4
89.02444	16.2
95.01430	1.6
99.00935	1.7
99.04591	1.1
101.02441	17.9
103.04002	6.9
103.04623	0.7
113.02444	9.9
119.03497	7.6
125.02547	1.0
127.07743	0.8
129.02036	0.7
143.03587	1.9
159.03149	1.6
161.04546	11.4
179.05824	2.7
183.10526	2.2
191.02182	0.9
191.05644	6.2
201.11301	7.8
225.11494	1.0
227.16782	2.3
243.12631	1.5
265.09702	1.8
269.14359	2.9
287.13065	1.2
389.17212	2.2
389.21793	36.0
390.22818	2.1
449.24994	35.5
450.20535	1.2
450.25735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
59.01378	100.0
60.01715	1.2
61.01791	0.8
61.98829	43.8
67.50175	0.6
70.71692	0.6
70.72046	1.3
71.01380	12.2
72.99292	0.7
73.02961	3.9
75.00875	0.8
83.01390	1.8
85.02958	5.9
87.00883	0.7
89.02441	7.5
93.43126	0.6
95.01360	1.1
96.96018	0.9
99.00895	1.2
99.04504	0.8
101.02453	8.7
103.04021	1.0
107.82664	0.5
113.02446	5.8
119.03481	3.4
125.02459	0.6
143.03488	0.8
161.04561	6.1
179.05580	1.8
223.51196	0.5
265.09122	0.9
287.05762	0.8
307.10535	0.9
347.13797	0.6
389.21768	32.1
390.22165	1.6
405.17856	1.9
407.22427	1.6
449.20096	0.9
449.24625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57303	1.0
57.03445	7.5
58.00595	1.7
59.01380	53.7
61.81406	0.9
61.98824	14.1
67.01881	2.2
69.03461	1.0
71.01385	17.3
71.04993	3.3
71.55084	1.5
72.99310	1.9
73.02948	5.5
75.00851	1.4
78.91869	2.5
83.01383	2.7
85.02946	17.5
87.00861	6.2
87.04498	2.2
89.02435	5.5
93.03463	10.7
95.01329	1.2
97.02971	1.3
97.06573	4.2
99.00874	1.6
99.04527	4.2
101.02438	12.0
103.04013	23.1
111.04525	1.7
113.02454	5.6
119.03467	1.8
119.55254	1.0
120.99638	1.1
121.02832	1.1
123.08139	3.4
125.02422	2.3
129.01990	1.7
133.02954	1.7
134.03740	1.8
135.04471	1.4
137.02477	1.2
137.09769	1.2
139.11288	59.8
140.11545	1.2
141.05643	1.4
147.02914	1.4
157.12299	3.1
158.58313	1.2
160.01595	1.2
161.04530	2.4
162.03168	1.6
163.07628	1.4
173.04573	9.2
181.12340	4.9
183.10219	2.1
191.02028	1.1
191.05589	6.4
201.11313	98.7
202.11659	3.8
211.13480	1.4
212.13632	1.5
213.13963	1.3
215.12862	8.0
225.11314	13.8
231.10234	1.1
243.12415	11.3
245.11896	1.2
265.09354	5.7
273.13474	1.6
275.09186	2.9
303.14508	5.1
360.15067	1.2
361.10916	3.0
363.16479	6.1
363.20309	4.1
373.10275	1.8
389.21194	2.4
389.25638	2.2
405.21307	9.4
431.19006	1.1
447.52390	1.0
449.14737	6.0
449.20163	100.0
449.26675	3.6
450.20612	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	449.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	7.0
57.03674	1.5
59.01382	69.4
61.98838	13.6
67.01886	2.2
71.01382	16.9
73.02934	6.5
75.00857	1.7
77.33487	1.4
83.01362	4.0
85.02479	1.4
85.02953	19.7
87.00861	5.3
89.02444	9.1
90.10198	1.4
93.03454	14.5
96.95979	2.1
98.19904	2.5
99.04504	2.2
101.02443	15.5
103.04013	22.8
110.08022	1.4
111.00912	1.9
111.04491	2.6
111.08146	1.8
113.02477	7.4
115.52852	1.6
119.03432	2.4
121.03018	1.3
129.01907	1.8
134.03717	3.1
135.04512	3.3
137.09674	2.4
139.10242	1.8
139.11293	35.7
140.11597	1.6
144.24940	1.3
160.01595	1.6
161.02328	2.3
162.03142	1.7
173.04518	14.8
181.12248	5.6
183.10284	16.0
183.13821	3.1
191.05522	6.1
201.11324	69.9
201.14908	5.3
211.13223	3.3
212.13771	2.1
213.15031	8.2
215.12825	7.7
225.11287	14.1
227.07028	1.6
243.12279	7.1
244.09653	3.5
245.09973	5.6
265.09216	5.9
269.21228	1.9
275.09100	4.6
287.22086	2.9
303.14258	4.5
345.19009	2.4
363.16238	2.4
363.20190	7.1
389.21375	2.3
405.11819	1.9
405.21301	19.1
407.26938	1.7
449.14655	9.2
449.20078	100.0
449.26962	8.2
450.20297	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	449.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03448	5.0
58.00589	1.7
59.01381	66.4
61.98811	3.2
69.03464	0.7
71.01019	1.2
71.01382	15.4
71.05029	1.2
71.45501	1.2
72.99299	1.5
73.02943	3.2
73.25142	0.6
75.00858	1.2
83.01371	2.4
85.02950	21.3
87.00838	1.8
87.04514	21.7
89.02438	7.0
93.07071	1.2
99.04501	2.3
101.02435	12.2
103.04012	25.0
109.06570	1.8
111.29055	0.6
113.02457	5.3
117.50676	0.7
119.03480	3.0
122.65172	0.7
123.04518	1.5
125.02406	0.8
125.06035	1.0
129.01956	0.8
137.06137	3.5
139.07643	3.5
139.11302	3.7
155.10820	0.9
157.12289	1.4
161.04559	3.7
173.04533	0.9
179.05466	0.8
179.10640	1.2
183.10243	0.9
191.01880	1.6
191.05589	1.4
197.11809	1.4
201.09601	1.1
201.11319	15.6
208.89546	0.6
209.11783	1.7
215.12901	6.0
225.09319	0.7
225.11305	9.4
225.14807	1.4
227.03491	0.7
227.12697	2.1
235.92490	0.8
243.06561	0.7
243.12340	3.9
247.08102	1.2
257.03467	1.0
265.09271	14.8
269.04507	1.0
269.13934	0.8
272.10413	1.8
287.05130	0.9
287.12848	3.1
295.58356	0.7
371.20712	9.9
389.21844	10.2
390.22083	1.2
449.09717	2.6
449.20044	100.0
450.20401	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	449.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50703	0.7
55.01846	0.7
56.36309	0.6
57.03450	7.7
58.00592	0.8
59.01379	31.6
60.01717	0.7
61.98839	5.7
69.26445	4.9
71.01006	1.0
71.01382	12.1
71.05013	0.9
72.99297	1.1
73.02942	3.2
75.00880	0.7
77.08902	0.7
78.91905	1.1
83.01402	1.6
85.02463	1.3
85.02949	19.2
87.00865	0.9
87.04514	22.2
89.02455	6.3
93.03442	0.7
93.07058	0.8
95.01389	0.7
96.95982	0.6
99.00857	1.1
99.04495	1.9
101.02443	9.4
101.06055	0.7
103.04012	29.1
104.04305	1.0
109.06557	1.1
111.08133	0.7
113.02439	3.9
119.03479	2.9
121.02930	0.7
123.08196	1.0
125.02435	1.0
133.02937	0.7
137.06082	3.7
139.07680	4.7
139.11250	3.0
143.03452	1.3
145.05054	1.2
157.58183	0.9
158.45972	0.8
161.04549	1.3
171.10245	1.3
173.04453	0.8
183.10208	1.5
191.01935	2.2
191.05553	1.6
201.09576	1.1
201.11319	17.2
209.11868	0.9
213.09229	0.7
215.12744	2.5
225.09244	1.2
225.11308	15.1
229.04892	0.7
231.10172	1.0
243.12244	3.3
247.08160	1.7
255.02893	0.9
255.12320	0.8
257.03485	1.0
265.06378	1.0
265.09250	17.6
285.03522	0.7
286.03619	0.8
389.21594	2.4
449.09698	2.9
449.20084	100.0
450.20477	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	449.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
58.00574	1.8
59.01378	76.0
61.98817	2.7
66.06307	0.9
71.01377	14.9
72.99294	0.9
73.02960	5.2
83.01368	2.3
85.02928	5.9
87.00867	1.4
88.28221	0.8
89.01937	1.3
89.02441	13.9
95.01377	1.1
98.20657	2.6
99.04525	6.8
101.02440	9.7
103.04002	4.6
107.01534	0.8
113.02450	6.2
119.03516	4.2
131.03497	0.8
133.06390	0.8
165.12820	3.1
179.05569	1.5
207.13884	7.5
209.11819	23.6
213.47845	0.8
215.61206	0.8
225.14957	9.1
251.12788	4.4
251.59509	0.8
265.09314	4.1
269.13931	80.1
270.14218	4.1
287.15030	1.6
307.10318	6.1
352.22235	0.8
371.20895	1.3
431.18973	1.5
449.20227	100.0
450.20493	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	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09313	0.3
51.11099	0.3
57.57817	0.3
59.01376	7.3
60.01720	0.4
61.98829	100.0
62.65954	0.3
69.59373	1.2
69.59785	1.2
71.01388	1.2
73.02945	0.4
75.22681	0.3
85.02946	0.4
89.02456	0.6
98.20636	0.6
101.02446	0.8
113.02488	0.4
125.02462	0.5
150.26775	0.4
225.55695	0.4
288.83002	0.4
399.20654	0.4
407.22867	0.6
449.10974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1087
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
57.03447	1.7
59.01380	13.7
61.98833	2.6
63.02407	1.2
63.04121	0.4
65.00326	8.6
65.00677	0.4
70.28413	0.9
70.28810	0.8
71.01389	4.4
71.12578	0.4
71.56705	0.4
72.99332	0.7
73.02948	2.5
83.01394	5.2
85.02944	4.7
87.04511	0.7
89.02471	1.3
96.96005	0.8
98.20004	0.5
99.00902	0.4
101.02458	2.7
103.04040	1.3
107.01392	17.3
108.01686	0.4
109.02950	2.2
113.02472	1.1
116.92875	0.5
119.03471	0.4
125.02448	4.0
133.03009	0.4
134.03778	0.5
135.04524	63.5
136.04842	1.6
151.00366	100.0
152.00684	2.6
155.10814	0.6
161.02405	1.1
161.04561	0.6
165.01917	0.6
169.01344	0.6
173.04514	0.7
180.04243	0.4
191.01990	1.3
193.27597	0.5
199.04079	0.6
200.37042	0.4
209.11801	0.5
225.05618	0.5
227.03444	1.0
227.07048	0.5
227.12938	0.5
232.00787	0.4
243.06549	0.6
253.05190	0.5
255.03032	1.6
256.03754	0.8
257.03796	0.5
265.09296	1.1
269.04477	0.9
270.05423	1.4
271.06149	1.5
283.06161	1.1
285.07648	0.8
285.45026	0.5
286.08456	1.2
287.05612	79.5
288.06003	5.0
301.10559	0.7
302.03415	0.6
303.08752	0.6
307.10379	0.9
314.04370	0.6
317.06604	1.1
329.06686	2.7
344.09109	4.3
345.09470	0.6
389.21594	1.5
419.13498	6.1
420.13647	0.8
449.10684	16.1
449.20059	2.3
449.24612	2.7
450.11282	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	448.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07804	0.3
59.01379	25.1
60.01717	1.4
61.98830	100.0
69.18692	1.7
69.19113	1.0
71.01385	3.6
73.02953	0.9
83.01381	0.5
85.02945	1.4
85.34863	0.3
89.02443	2.6
95.01397	0.3
96.95998	0.3
99.04523	0.4
101.02442	2.4
103.04013	0.7
113.02469	1.4
116.38074	0.3
119.03535	0.7
129.94414	0.3
153.01883	0.3
161.04570	1.2
162.04884	0.3
168.04190	0.4
168.95354	0.3
179.05640	0.7
184.07042	0.4
205.05121	0.3
268.12750	0.5
378.40146	0.3
385.11401	0.3
388.20358	1.4
389.21802	4.1
406.21552	0.8
448.18372	0.4
448.23529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01072	0.6
59.01380	21.4
60.01717	2.0
61.98829	100.0
69.88854	1.0
69.89243	0.9
71.01383	3.4
73.02948	1.4
73.79393	0.4
76.39241	0.5
83.01409	0.6
84.46893	0.4
85.02973	1.4
89.02474	2.4
89.02941	0.5
95.01388	0.5
101.02432	3.1
112.44494	0.4
113.02476	1.6
114.13808	0.5
119.03543	0.7
146.04553	0.7
159.04387	0.5
161.04602	0.9
175.02390	0.4
179.05647	1.1
180.34033	0.4
193.26944	0.4
257.56027	0.4
259.06189	0.8
265.09387	0.7
388.20813	1.1
389.21939	0.7
406.21786	0.9
407.23001	0.9
434.09607	0.6
449.10800	0.8
449.24017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2386
Annotation	Ugaferin
Peak:m/z	Relative Intensity
50.04699	0.3
57.03432	0.6
59.01382	2.2
61.98831	2.3
71.36151	0.4
71.36510	0.5
78.95883	0.6
83.80148	0.3
89.02412	0.4
93.03461	0.4
96.13430	0.4
98.44421	0.3
104.43951	0.3
113.09727	0.4
117.03467	18.2
118.03814	0.6
119.05030	48.8
120.05379	1.5
125.38300	0.3
131.16876	0.3
145.02956	100.0
146.03287	3.0
150.46010	0.4
152.99614	0.8
157.19243	0.4
161.02466	1.8
163.04008	39.1
164.04349	1.4
219.81833	0.4
221.19112	9.5
257.20941	0.4
265.18054	7.0
266.18262	0.4
283.19147	8.5
284.19586	0.6
301.20203	21.3
302.20618	1.3
447.23880	67.3
448.24292	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86884	0.4
55.01868	0.5
57.03442	1.1
58.00599	0.7
59.01381	100.0
60.01707	1.0
61.98833	7.6
69.44621	1.7
69.45029	0.7
69.75314	0.4
71.01382	11.9
71.05068	0.4
72.99321	0.8
73.02944	4.1
83.01393	1.6
85.02954	4.9
87.00904	1.2
89.02451	11.1
95.01414	0.8
96.96008	0.4
97.64034	0.4
98.20014	0.7
99.00874	0.9
99.04522	0.6
101.02446	8.7
101.03106	0.5
106.23034	0.4
113.02443	6.9
113.03164	0.6
119.03516	4.4
125.02468	0.9
130.43735	0.4
131.03482	0.9
135.08154	1.0
143.03522	1.3
149.04613	0.5
153.01991	1.0
153.09235	0.5
160.31206	0.4
161.04561	4.1
163.11311	0.7
163.65918	0.4
168.04323	1.9
179.05602	7.0
179.07019	0.7
180.06049	0.4
183.06606	2.1
194.09567	0.4
197.08240	0.5
205.12259	0.4
207.13998	0.7
223.13493	0.8
225.14923	0.4
243.15938	2.4
265.09427	1.1
267.12454	1.2
353.83203	0.4
381.72549	0.4
387.20267	7.8
388.20963	0.5
405.21277	7.4
447.14279	1.4
447.23642	2.4
474.92792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2232
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
52.66489	0.3
54.20868	0.2
55.01878	0.4
57.03442	0.9
58.00598	0.5
59.01378	53.9
60.01699	0.5
60.99303	0.8
61.98829	14.4
67.14761	0.3
69.98710	0.5
69.99106	0.7
71.01381	12.8
72.99323	0.8
73.02943	16.0
74.03253	0.4
75.00876	0.3
83.01376	4.4
83.05052	0.3
85.02952	5.0
87.00874	0.8
89.02445	3.3
96.96048	0.4
97.02969	0.7
97.94878	0.3
99.00890	1.1
99.04529	0.4
101.02436	12.6
102.02776	0.3
103.04007	0.9
111.00872	0.6
111.04460	0.4
113.02438	3.5
118.98589	0.3
119.03494	0.4
123.08189	0.4
124.07613	0.3
125.02454	0.5
125.09777	0.3
129.01942	0.4
131.03526	0.7
137.09819	0.3
143.03552	0.4
148.04086	0.4
151.07663	1.0
155.10773	0.8
161.04567	1.2
163.11220	0.3
179.14441	1.1
181.12323	0.3
189.53546	0.3
199.08029	0.4
199.09711	1.4
201.11363	0.3
207.13884	1.9
225.14951	18.6
226.15376	0.6
227.03444	1.8
243.12340	1.0
243.16093	1.2
247.08018	0.4
255.02965	2.1
265.09311	1.1
266.64291	0.4
284.03189	1.9
285.04047	2.0
285.17075	0.7
301.03564	0.3
325.35345	0.3
335.12582	0.7
339.91699	0.3
387.20236	4.9
405.21252	7.0
406.21521	0.5
447.09677	3.9
447.22357	100.0
448.22696	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03448	1.5
58.00607	0.8
59.01379	100.0
60.01709	0.6
61.98827	3.7
69.20055	0.3
71.01382	13.5
71.12489	0.6
72.99322	0.7
73.02941	4.1
75.00883	0.4
79.95757	0.3
81.03495	0.6
83.01385	1.8
84.43951	0.3
85.02950	6.4
87.00886	1.4
88.98810	0.6
89.02441	10.3
94.56379	0.3
95.01395	1.3
96.96032	0.7
97.02929	0.5
99.00897	1.2
99.04527	1.2
101.02445	8.8
101.06119	0.3
103.04032	0.9
112.96190	0.4
113.02445	9.0
119.03488	4.0
125.02464	1.1
128.03546	0.4
135.08185	0.4
141.00143	0.4
143.03516	1.4
145.06221	0.4
146.04604	0.5
149.04582	0.6
153.01967	1.4
159.03029	0.5
161.04539	4.0
168.04358	1.0
173.02837	0.7
179.05614	2.7
183.06677	1.4
195.13956	0.9
243.16127	1.1
245.80362	0.4
265.09348	1.0
267.07639	0.3
267.12183	0.4
287.76111	0.4
357.18961	0.5
369.19046	0.7
387.20242	16.5
388.20847	1.4
403.16266	0.6
405.21286	11.6
406.21631	0.7
447.13821	0.7
447.23325	3.6
448.22675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20234	0.3
55.01876	0.3
57.03442	0.9
59.01378	100.0
60.01721	1.0
61.98828	5.9
63.44337	0.3
70.66587	0.9
71.01383	5.5
73.02941	1.6
78.48330	0.3
83.01424	0.4
83.05036	0.7
85.02959	2.0
87.00887	0.6
88.58604	0.3
89.02449	3.6
90.98021	0.3
95.01379	0.4
97.15784	0.3
99.00932	0.5
99.04543	0.7
101.02437	3.9
113.02448	2.4
119.03487	1.6
123.08173	0.8
143.03528	0.4
146.22833	0.3
153.01939	5.1
161.04530	2.3
163.11342	0.9
168.04279	5.7
179.05629	1.2
183.06615	5.9
183.08127	0.5
189.12901	0.7
207.10214	1.6
207.14006	1.2
210.71068	0.3
223.13356	0.8
225.15031	1.0
254.45839	0.3
267.12341	3.0
362.56766	0.3
383.92838	0.4
387.20197	2.2
405.21112	0.4
447.17786	4.1
447.23505	1.2
448.19232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47883	0.4
57.03448	4.0
58.00583	2.2
59.01382	17.6
61.98820	2.1
64.01606	0.5
64.91015	0.5
69.24196	4.6
71.01383	9.0
71.05015	1.8
72.99319	0.9
73.02951	1.8
74.99092	0.7
83.01376	0.6
85.02953	16.4
87.00885	0.9
87.04507	6.7
87.90292	0.5
89.02432	2.5
96.96001	1.2
98.19896	1.0
98.20577	1.6
99.00851	0.5
99.04538	1.3
101.02459	3.3
103.04014	29.1
113.02474	2.2
139.11279	0.7
139.78053	0.5
145.05051	0.8
151.11284	0.6
155.01779	1.0
155.10806	1.0
161.04727	0.5
161.19814	0.5
169.12364	1.2
169.15683	0.5
183.13904	1.9
185.15437	7.1
195.13754	0.5
199.13397	19.2
200.13763	0.7
211.13397	17.2
212.13776	1.1
213.14960	23.9
214.15260	1.0
241.14430	7.2
247.08279	0.7
253.09198	1.9
253.14493	0.6
265.09259	1.2
295.15936	0.5
387.19623	0.7
447.22327	100.0
448.22614	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	447.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04570	0.7
57.03441	0.7
59.01376	86.2
61.98820	1.9
69.52814	2.6
69.53242	2.1
71.01385	5.5
73.02942	2.2
82.20670	0.6
83.01388	1.0
85.02942	3.2
89.02454	5.1
92.40716	0.6
96.95998	1.6
101.02428	4.0
113.02437	3.3
119.03527	1.3
120.99626	0.9
125.02465	1.3
137.02432	2.1
139.63071	0.7
152.03481	0.8
161.04553	2.1
165.01941	17.6
166.02248	0.8
179.05652	1.0
180.04272	36.2
181.04626	1.1
192.04254	0.8
195.02959	10.7
195.06606	36.1
207.06618	3.1
210.05333	18.7
225.07671	100.0
226.07985	3.8
265.09595	0.8
387.20624	1.6
403.15894	0.9
447.13593	1.1
447.18774	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34634	0.5
53.04285	0.5
57.03449	3.8
57.09615	0.6
58.00597	1.3
59.01107	1.0
59.01382	11.4
61.98833	1.0
71.01376	5.1
72.99281	0.5
73.02947	4.2
83.01409	0.6
85.02944	8.1
87.04517	6.2
89.02455	2.1
98.20004	2.7
101.02431	5.3
103.04015	27.0
113.02467	1.5
119.03487	0.5
120.86417	0.5
125.02461	1.3
129.01947	0.7
134.33563	0.6
135.08194	1.6
137.02550	0.5
137.09724	17.4
139.11307	1.3
151.11276	0.8
155.10776	87.9
156.11096	2.3
169.12350	4.9
179.10777	0.8
181.08687	3.6
197.11807	0.8
199.09750	55.7
200.10094	2.3
211.13379	2.7
213.11293	3.9
223.09793	1.9
225.15002	0.7
241.10800	18.2
242.11194	1.0
243.06567	0.5
247.08150	0.8
265.09253	6.7
271.11877	1.8
283.11700	1.0
296.61737	0.5
301.12921	6.9
361.15060	6.8
403.19324	0.7
405.31808	0.6
419.49234	0.6
429.17627	1.4
447.18655	100.0
448.19003	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21839	0.3
52.09586	0.3
59.01374	1.6
71.01380	0.4
71.51807	0.7
71.52161	0.4
72.00913	0.5
72.99306	4.9
75.00864	3.1
79.61893	0.3
87.00886	1.0
95.67815	0.3
101.79655	0.3
103.00359	2.1
104.03522	2.9
105.01932	100.0
106.02268	1.0
108.51871	0.3
135.03065	0.4
249.15666	0.4
335.04880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29229	0.3
59.01366	0.7
60.37727	0.3
61.98811	1.0
62.96402	1.2
69.37190	0.3
70.37184	0.5
70.37517	0.3
78.95904	33.7
81.49966	0.3
82.48737	0.3
96.96975	2.7
117.03481	1.1
123.91544	0.3
149.00092	16.7
151.01482	0.3
152.99573	0.6
158.92548	1.3
161.02425	0.5
179.01140	2.4
205.15948	1.6
240.96568	0.4
267.11420	0.4
276.52258	0.4
347.08322	0.5
417.12378	0.9
431.10342	2.5
444.85052	0.3
447.13403	100.0
448.13715	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	447.1295
Annotation	Siebolside A
Peak:m/z	Relative Intensity
55.52910	0.3
59.01381	3.6
61.98831	2.6
63.97894	0.3
65.03999	0.3
69.03450	1.3
71.01371	0.7
75.06448	0.3
79.01895	1.0
81.17522	0.2
85.02958	0.4
93.03455	28.8
94.03793	0.4
95.01363	0.4
96.49805	0.3
97.02961	0.8
98.19894	0.8
102.79032	0.3
106.04211	0.4
107.01395	1.5
108.02162	0.8
113.02438	0.3
115.05391	0.3
121.02967	2.8
123.00850	0.5
125.02435	1.5
135.00922	0.7
137.02443	100.0
138.02792	2.7
138.54979	0.2
149.86678	0.3
151.00359	2.4
152.01082	0.5
181.06516	0.6
199.07642	19.0
200.07999	0.9
229.03336	0.3
242.05887	2.8
243.06598	39.7
244.06973	1.8
348.80478	0.3
358.97784	0.9
364.71878	0.3
387.10745	1.9
402.96539	0.8
446.95639	1.2
447.13226	2.2
447.25656	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1294
Annotation	Siebolside A
Peak:m/z	Relative Intensity
51.02373	0.8
55.01873	0.9
59.01382	6.6
59.87279	0.5
60.38351	0.5
61.98831	7.3
69.03455	54.3
71.01404	1.1
79.01888	38.0
80.02247	0.7
81.03455	1.8
85.02958	2.5
93.03487	0.7
95.01385	11.1
97.02946	31.4
107.01388	72.2
108.02182	34.6
109.02935	2.0
113.02454	1.4
121.02955	2.5
123.00877	15.2
125.02444	46.1
133.03021	0.9
135.00885	75.4
136.01727	3.3
137.02434	2.4
149.02397	1.7
151.00366	59.6
152.01147	75.6
153.01910	5.1
163.04010	3.7
177.01924	7.2
184.28511	0.5
197.06000	1.3
198.06815	1.1
216.20714	0.6
225.05551	1.0
242.05835	70.0
243.06587	100.0
244.06963	5.7
285.07715	3.1
339.07172	4.7
361.09836	0.6
387.10727	2.7
447.12943	38.9
448.13287	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	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
59.01379	18.8
61.98827	3.6
67.69847	0.3
69.03440	0.3
69.59148	1.8
71.00999	0.5
71.01379	4.2
72.99339	0.3
73.02942	4.2
77.00941	0.3
83.01369	1.2
85.02959	1.6
87.00913	0.4
89.02444	2.3
93.03465	0.3
101.02444	4.0
103.03956	0.6
103.52458	0.3
107.01378	0.6
109.02988	0.4
113.02452	2.2
113.98972	0.3
119.03492	1.0
125.02413	0.5
125.09713	3.9
135.00867	0.5
137.02426	0.4
139.24223	0.3
143.03539	0.3
149.04510	0.3
151.00395	2.4
153.01961	0.6
161.04576	1.4
163.00381	0.7
171.04492	0.4
174.03281	0.3
175.03973	0.4
179.05603	0.5
181.12279	1.0
183.04518	1.6
187.04091	0.5
190.99716	0.3
199.13307	0.3
211.03911	1.6
225.11317	2.5
225.14900	1.3
226.11595	0.3
227.03479	66.6
228.03880	3.5
229.05086	1.7
239.03435	0.4
241.04817	0.4
255.02966	87.5
256.03583	10.9
257.04486	1.6
265.09271	0.5
269.04245	0.4
284.03244	69.2
285.03961	26.0
286.04340	1.2
326.21301	0.3
327.04999	0.9
384.10141	0.4
387.20239	2.1
405.21021	0.6
447.09286	100.0
448.09634	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	447.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
61.98817	0.2
63.66473	0.2
65.00323	0.6
69.03427	0.2
69.18044	1.6
73.69267	0.1
74.36490	0.2
80.02688	0.4
91.01892	14.0
93.03454	0.4
95.01381	0.7
107.01418	0.5
107.05038	0.4
108.02171	17.2
109.02983	3.7
111.00847	0.2
121.02969	0.8
123.00884	5.5
124.01663	0.5
135.00887	14.2
136.01280	0.2
137.02440	3.5
149.02480	0.4
152.01154	16.6
153.01534	0.5
169.06664	0.2
177.01929	0.3
186.93546	0.2
197.06053	1.4
199.07657	0.5
211.13411	0.2
213.05627	1.5
215.07144	0.9
225.05511	0.3
241.05075	0.3
243.06602	100.0
244.06931	5.1
299.61905	0.2
387.10855	1.4
405.11725	0.4
447.12997	4.8
448.13196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.8
59.69007	0.5
61.16886	0.5
61.41983	0.5
61.98830	100.0
65.88761	0.4
71.17200	0.4
71.43736	0.8
93.37824	0.4
101.02431	0.4
145.02991	0.8
165.74362	0.5
197.27982	0.5
351.36905	0.5
397.05954	0.4
425.42087	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.2
61.98829	100.0
69.31218	2.6
80.59161	0.4
82.52530	0.4
94.42437	0.4
97.68824	0.4
98.20719	0.8
104.08304	0.4
117.03487	0.4
119.05062	0.6
145.02943	1.5
161.02478	0.9
171.05565	0.4
175.35687	0.4
199.46690	0.4
224.03519	0.4
311.12814	0.4
388.16229	0.4
447.23874	1.1
447.30984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09959	0.4
52.91327	0.3
57.03432	1.0
59.01378	26.9
60.01708	0.3
60.51038	0.3
61.98832	2.5
64.51534	0.3
70.21816	0.9
71.01376	5.5
73.02940	1.5
83.01379	1.1
85.02947	3.6
87.00877	0.5
89.02441	2.8
93.03439	0.3
95.01356	0.5
99.00872	0.5
101.02448	4.1
103.04019	0.4
107.01365	1.0
111.00826	0.4
113.02454	2.6
119.03528	1.6
125.02454	0.5
129.01936	0.5
134.03595	0.4
143.03505	0.5
151.00362	2.0
161.04530	1.7
163.00369	0.4
178.99931	0.5
179.05507	0.4
183.04523	0.7
185.06049	0.5
187.03888	0.5
191.01903	0.5
199.09766	0.4
211.04013	1.1
225.15016	0.8
227.03474	56.5
228.03873	2.9
229.05028	1.5
243.06485	0.4
243.12308	0.5
243.16020	0.5
255.02971	73.0
256.03629	9.2
257.04449	1.3
267.15869	0.4
284.03244	65.3
285.03961	18.7
286.04300	0.7
327.05060	1.5
335.12448	0.4
387.20203	6.1
388.20456	0.6
405.21362	3.4
419.01727	0.4
447.09283	100.0
447.22382	11.6
448.09659	8.7
448.22739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08057	0.6
56.58292	0.7
59.01380	4.0
61.98830	100.0
71.53663	0.8
78.95927	2.7
81.62811	0.7
101.02450	0.7
119.05099	0.7
136.91753	0.7
136.93854	0.6
146.91646	0.7
152.99590	6.1
223.20715	2.5
246.20625	0.7
257.21231	0.7
267.19727	2.0
285.20718	3.8
447.23080	1.1
455.39990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89860	0.6
59.01370	1.7
59.37877	0.6
61.98831	100.0
62.87394	0.5
67.32465	0.5
69.17039	5.6
74.81284	0.5
78.52822	0.6
78.95908	2.4
81.36073	0.5
86.46326	0.5
98.20596	1.4
100.35020	0.6
116.80810	0.5
117.03512	0.9
152.99593	1.8
187.71581	0.6
254.15839	0.6
267.19672	0.6
447.13608	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	445.3322
Annotation	9-hydroxycerevisterol
Peak:m/z	Relative Intensity
57.03446	5.4
59.01380	13.2
60.99292	2.6
61.98832	1.9
69.03453	1.1
71.01383	3.7
71.52483	0.8
72.02171	5.7
75.00881	0.6
83.05016	4.8
95.05023	4.6
95.08751	0.6
97.06570	1.1
101.76048	0.6
108.21927	0.5
109.06583	2.0
111.04543	1.5
111.08164	2.0
113.09718	8.5
119.08665	1.0
121.06607	3.0
123.08225	0.7
135.08134	0.9
137.09718	93.1
138.10051	2.3
155.10789	11.8
255.17538	1.8
269.19031	0.7
271.14529	0.7
271.17224	2.4
271.20642	21.5
272.21179	1.4
283.16977	1.1
285.18564	3.9
285.21643	0.8
287.20135	9.3
289.21774	3.6
297.18582	3.6
299.20151	13.5
300.20395	0.7
301.21710	24.0
301.25198	1.3
302.21982	2.0
303.19904	0.8
303.23386	2.0
309.35007	0.6
313.21729	42.5
314.22043	2.2
315.19601	7.3
315.23279	8.4
316.19849	0.8
316.23386	0.6
317.21271	2.7
325.21701	1.1
328.20428	1.9
331.22769	45.0
332.23093	2.4
343.22754	64.4
344.23135	4.9
361.23831	12.5
367.26666	1.1
383.29395	3.3
385.30957	0.8
409.31119	7.7
410.31161	0.8
411.29086	3.5
427.32132	100.0
428.32440	9.9
445.33206	54.8
446.33521	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14155	0.9
59.01377	100.0
62.36694	0.9
65.26453	1.0
66.17757	1.0
69.45719	7.1
69.46040	1.3
70.46835	0.9
71.01006	2.0
71.01379	23.6
72.99303	1.4
73.02939	2.5
77.32275	1.0
83.01385	1.6
85.02950	6.9
87.00911	1.2
89.02448	24.1
91.92443	1.0
95.01412	2.0
97.02953	2.3
99.00892	1.5
101.02443	12.5
103.30608	0.9
113.02444	9.6
119.03501	11.8
125.05994	1.0
131.03461	1.8
138.06866	4.1
139.07684	2.1
143.03500	2.7
149.04456	1.4
151.07690	5.1
152.08435	5.9
153.09221	19.9
161.04526	7.7
165.59396	1.1
179.05629	11.1
205.12280	8.9
223.13364	10.3
265.10873	1.8
342.60663	1.1
349.53519	1.2
368.08304	1.2
385.18646	17.9
386.19153	1.7
404.31375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19504	0.7
58.00591	0.9
59.01379	100.0
67.73031	0.8
69.45759	3.3
69.46168	2.1
71.01379	17.7
72.99303	0.8
77.13392	0.8
81.37624	0.7
83.05036	3.0
85.02980	2.8
87.00871	1.5
89.02444	31.0
101.02444	8.0
113.02440	7.0
119.03494	12.1
131.03496	1.9
143.03516	2.6
149.04620	1.4
161.04552	5.2
179.05617	22.7
203.10823	0.8
265.10925	1.3
327.25519	1.1
367.38751	0.8
462.57327	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
57.03446	2.0
58.00597	1.6
59.01378	100.0
60.01730	0.6
61.98831	5.7
69.03440	0.5
69.37602	2.4
69.38018	0.8
71.01378	20.5
71.05021	0.4
72.99310	1.5
73.02937	6.1
75.00850	0.5
81.03516	0.4
83.01391	2.7
83.05040	0.9
85.02950	6.4
87.00858	2.1
87.22062	0.4
89.02441	25.0
90.02799	0.5
91.01859	0.6
95.01408	1.6
96.96015	0.8
97.02934	0.7
97.06616	0.8
99.00903	0.8
99.04531	1.3
101.02438	18.2
109.02943	0.4
113.02446	11.1
115.04034	0.6
119.03497	13.0
121.06606	1.2
125.02452	0.8
131.03499	1.1
135.04628	0.6
137.09720	5.3
143.03519	2.0
149.09778	0.5
153.09172	0.6
159.02969	0.7
161.04536	6.0
163.11426	0.6
165.09230	1.0
177.12874	1.0
178.99854	1.2
179.05615	9.9
179.07059	0.5
179.10762	3.0
187.11382	0.7
196.03897	0.6
197.00958	0.7
205.12346	6.2
209.11888	1.7
221.11861	1.0
223.13374	7.5
223.15370	0.7
235.13467	1.1
237.15070	0.7
241.14549	1.1
247.13393	1.0
265.09131	1.1
265.14377	3.5
355.17535	2.4
359.06146	0.7
373.18765	1.0
385.18686	3.1
401.11203	0.4
403.19806	1.7
445.09839	1.0
445.21124	7.8
448.03748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84445	0.8
55.01868	0.9
55.52723	0.8
57.03453	9.1
58.00579	1.6
59.01379	48.5
59.36769	0.8
61.98812	3.1
69.03436	0.8
69.37641	0.9
71.01382	20.7
71.05007	1.1
72.99303	1.3
73.02963	4.5
75.00855	1.2
83.01365	2.8
83.05013	0.9
85.02950	42.0
87.00865	2.1
89.02447	12.1
89.03603	0.7
89.88775	0.9
95.01365	1.3
96.96000	0.7
97.02934	3.7
97.06581	1.0
99.04499	2.8
101.02431	11.4
103.04015	61.3
107.04947	1.2
109.06605	5.3
111.04486	1.1
113.02452	6.8
113.06071	1.4
117.05531	1.3
119.03529	4.8
121.10226	0.9
133.10236	4.9
135.08195	4.3
145.05058	2.0
146.14284	0.8
149.04529	0.8
149.09663	3.1
151.11237	2.2
153.09204	46.6
153.14149	0.7
154.09550	2.0
161.04506	1.7
161.05910	0.8
167.10756	13.0
177.09254	4.2
179.07120	0.9
194.70766	0.9
195.10233	9.5
197.08186	12.9
211.60303	0.9
221.08148	2.2
221.15329	0.8
223.13344	2.2
229.41954	0.9
239.09245	1.4
247.08197	1.3
265.09244	30.0
266.09506	1.2
269.10211	1.4
280.14709	0.8
283.15396	2.2
299.11249	3.7
355.17410	0.9
359.13354	5.9
401.18149	85.9
402.18491	6.8
403.19540	1.3
427.15881	1.1
445.16946	100.0
446.17398	7.0
449.00925	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
57.03448	8.4
58.00590	1.1
59.01380	44.8
61.98830	5.4
64.15704	0.7
64.90859	0.7
69.03452	1.4
70.91954	1.9
71.01012	1.2
71.01381	16.9
71.05023	1.8
72.33873	0.8
72.99305	2.2
73.02953	7.6
75.00845	0.8
79.05524	1.3
83.01395	2.6
83.04993	1.5
85.02950	33.0
85.03470	1.7
87.00864	3.5
87.04514	14.7
89.02456	8.9
90.51282	0.6
97.02951	5.6
99.00856	1.2
99.04509	2.8
101.02441	12.8
101.06104	0.8
103.04010	56.0
109.06562	2.4
111.04518	1.2
113.02461	5.9
115.03995	1.5
115.97747	0.9
116.90378	0.8
117.05606	1.3
119.03484	3.5
120.99653	1.7
123.04520	1.6
125.02502	1.2
127.03304	0.8
129.05533	0.9
133.10231	4.0
135.08174	8.2
137.09689	1.2
145.05057	1.7
149.09731	1.0
151.11322	3.9
153.09212	55.4
154.09552	2.0
157.98483	0.8
161.04521	1.4
167.10774	9.4
177.09103	1.4
179.05641	0.8
179.07114	2.6
190.48779	0.8
195.10265	12.1
196.65166	0.8
197.08165	16.1
223.13409	1.9
239.09242	7.3
247.08191	3.0
263.08963	0.9
265.09244	22.5
266.09589	0.8
269.10352	1.4
271.02383	1.1
299.11359	6.1
300.02850	0.9
301.03470	2.1
335.84625	0.8
359.13336	6.0
373.18375	1.0
385.18561	1.0
401.18134	58.9
402.18472	5.1
427.15891	3.2
445.16995	100.0
446.17514	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	445.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.7
57.03165	0.8
57.03447	13.7
59.01380	37.4
61.98835	4.5
62.07085	0.7
62.48951	0.8
68.99813	1.0
70.24571	2.9
71.01385	12.3
72.99316	2.7
73.02956	3.4
75.00863	2.6
83.01385	3.7
84.02169	2.1
85.02951	100.0
86.03280	1.4
87.00881	2.5
89.02442	4.0
95.63066	0.7
99.00877	1.0
99.04516	1.0
100.65029	0.7
101.02431	7.0
103.00377	1.5
103.04026	6.4
111.00904	4.6
113.02446	2.8
115.00318	1.2
119.03492	1.4
120.99615	1.0
129.01942	12.0
135.08163	1.5
139.63205	0.7
143.03555	0.9
147.03000	19.6
153.09209	8.9
161.04561	1.6
167.10739	1.3
173.00883	2.5
179.07133	1.2
191.01973	40.5
191.14403	5.9
192.02306	0.8
195.10266	1.1
197.08212	4.2
197.11908	1.1
209.03069	6.7
209.11803	1.9
239.09190	1.5
253.14471	1.6
256.78186	0.8
265.09293	2.4
299.11469	1.9
327.21786	3.3
359.13428	1.8
385.22363	1.2
394.06555	0.8
401.18100	12.5
402.18448	1.4
427.16144	1.0
445.16541	18.4
445.25027	6.1
446.17407	1.8
446.24158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.1
58.00589	1.1
59.01376	19.9
61.98848	0.9
62.66180	0.8
71.01378	11.0
71.12653	1.9
75.00883	1.3
85.02950	12.8
88.52749	0.9
89.02441	12.8
99.00861	1.1
101.02440	7.4
103.00374	1.5
103.04008	18.6
108.02132	1.5
113.02454	3.5
119.03498	4.9
129.01880	1.1
173.04547	1.0
181.03482	0.9
199.49365	0.9
265.09274	100.0
266.09607	3.8
374.56137	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42960	1.2
59.01379	8.3
70.07335	5.0
71.01381	5.4
71.80816	1.0
73.85947	1.2
74.02469	1.8
75.00874	71.9
77.86942	1.4
78.84128	1.1
85.02938	2.0
89.02436	8.6
101.02459	3.8
103.00372	100.0
103.04020	2.3
104.00699	1.3
104.03537	8.8
113.02483	1.8
119.03488	3.5
134.88135	1.3
179.05612	3.8
265.09265	13.7
299.64941	1.3
341.10876	12.0
345.55911	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18052	1.4
55.09121	1.4
59.01384	20.5
65.36227	1.3
67.18855	1.3
69.41885	9.6
71.01380	8.3
75.00887	3.4
85.02962	9.0
89.02445	14.7
90.39959	1.3
96.69971	1.3
98.19962	3.0
98.20612	2.3
101.02449	9.4
103.00343	5.1
103.04020	22.2
113.02428	5.3
119.03472	6.0
164.00227	1.7
206.36984	1.5
250.34694	1.5
265.09277	100.0
266.09610	4.6
293.79495	1.4
301.15701	1.6
418.19370	1.5
444.12619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03451	3.8
59.01380	6.5
61.28048	0.4
61.98832	0.9
69.50310	2.8
71.01382	7.2
71.05027	0.8
73.02965	1.2
83.01382	0.7
85.02950	14.9
85.75114	0.4
87.00884	0.6
89.02444	2.4
98.20725	0.8
101.02439	2.9
103.03302	1.0
103.04011	26.2
108.08195	63.1
109.08523	1.4
113.02441	1.5
119.03519	0.9
120.08187	4.3
129.01971	0.6
132.08192	1.4
136.07710	0.9
145.05086	0.5
147.02988	1.0
148.07675	3.6
152.07170	67.6
153.07542	2.2
161.04625	0.5
164.07187	2.0
166.08725	45.2
167.09064	1.4
176.07190	0.8
191.01982	1.5
194.08212	35.4
195.08611	1.0
196.06133	20.4
197.06453	0.6
233.34015	0.4
238.07182	9.4
247.06068	0.5
247.08138	2.5
254.10362	0.7
265.09286	7.7
268.08371	0.5
289.85574	0.4
298.09299	9.3
305.53235	0.4
358.11658	0.6
376.91656	0.4
382.80399	0.4
400.16077	19.1
401.16541	1.0
426.14124	0.8
444.15082	100.0
445.15457	7.9
445.20816	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	443.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01712	1.1
61.98827	2.3
63.13381	0.7
89.02459	0.6
91.04015	1.5
98.19873	1.1
99.57968	0.5
111.08183	0.9
148.04085	0.5
162.75311	0.5
197.11864	2.8
229.52464	0.5
291.19678	4.2
301.12137	0.8
309.20676	8.9
310.68130	0.6
317.99017	0.6
341.10751	1.0
345.11050	0.6
385.72348	0.5
399.25781	1.2
408.52344	0.7
443.24023	2.6
445.28848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57082	0.7
55.75744	0.8
59.01381	100.0
59.06778	0.7
61.98826	2.1
71.01380	1.2
73.02957	2.6
89.02502	0.9
91.03994	4.9
97.06601	2.2
111.08167	1.5
121.06536	0.7
122.06140	0.8
125.51131	0.7
133.78716	0.7
134.09021	0.7
141.46198	0.6
163.93642	0.8
197.11797	6.2
197.74391	0.7
199.13341	0.7
224.16350	0.7
240.21263	0.9
291.19662	5.0
309.20764	13.7
383.12332	1.0
383.77811	0.8
443.28619	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	443.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03466	0.7
55.01888	1.0
55.50247	0.7
57.03453	1.6
57.33003	0.6
59.01379	100.0
61.98832	2.9
63.08247	0.7
69.03467	1.7
69.90842	1.4
69.91231	1.6
71.01382	13.7
72.99308	0.7
73.02946	12.1
78.60784	0.6
83.01402	2.8
83.05043	0.8
84.74559	0.7
85.02952	9.7
87.00868	1.1
87.04540	2.5
89.02446	3.6
92.57425	0.7
95.01387	0.9
95.05032	2.1
96.95995	2.2
97.02989	2.3
99.00890	1.5
101.02444	9.5
105.07076	0.8
108.02222	1.1
109.02955	1.2
111.04504	1.2
113.02439	6.8
113.06132	0.9
119.03505	1.7
121.06611	0.9
123.04531	1.3
123.08175	1.9
125.02451	1.0
125.06103	1.2
128.03593	0.9
135.04552	1.1
136.05333	2.7
137.06117	1.2
138.06876	12.8
139.07660	2.9
141.25018	0.7
143.03568	0.9
143.04652	2.4
149.06082	1.0
150.06934	1.1
151.07639	10.6
151.08792	0.8
152.04747	0.7
152.08418	6.0
153.09210	63.7
154.09583	2.4
161.04549	4.2
161.09756	1.3
165.05638	0.9
165.09203	11.9
167.07259	1.0
170.05856	1.2
176.32057	0.7
178.10088	0.8
179.10832	1.9
180.98586	0.7
190.99945	2.0
191.10800	1.2
193.05064	1.1
195.06592	1.7
203.05574	1.2
203.10725	3.6
206.02243	3.8
206.09511	4.4
221.04648	5.2
221.11824	32.1
222.12363	1.2
231.08752	3.9
239.12872	11.6
240.13370	0.9
272.08960	1.9
281.19812	0.8
339.72964	0.8
383.17285	2.3
443.19183	3.2
444.25125	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72738	0.8
53.55640	0.7
57.03441	1.7
57.51607	0.7
58.84895	0.6
59.01380	84.4
61.98825	1.3
62.58200	0.7
62.64282	0.7
67.12705	0.7
67.68362	0.8
69.03449	1.5
69.36729	5.1
71.01381	12.8
73.02948	14.2
83.01389	2.6
85.02947	10.5
87.04513	2.4
89.02446	1.5
95.05045	1.6
97.02944	3.2
98.20683	1.4
99.00898	1.1
101.02445	9.0
105.07142	0.8
108.02219	1.0
108.05812	1.1
109.02964	0.8
109.06599	1.6
111.04549	1.0
113.02447	3.5
113.06111	2.0
119.05123	0.8
122.03735	0.9
123.04491	1.1
123.08154	2.4
124.54303	0.7
125.02405	0.8
125.06104	2.8
135.08200	1.0
136.05316	2.5
137.06084	2.2
138.06871	17.9
139.07697	4.7
146.57506	0.8
149.06067	0.7
150.06865	0.8
151.07663	15.7
152.04796	1.4
152.08430	10.6
153.09218	100.0
154.09589	3.8
161.04587	2.2
161.09769	1.3
165.09203	18.7
167.07130	0.8
175.07603	0.7
179.10793	2.2
188.08490	0.9
190.99857	1.8
191.10835	0.9
203.05620	2.1
203.10779	4.5
206.02209	3.3
206.09418	3.7
221.04558	3.6
221.11824	34.6
222.12199	1.3
239.12895	16.4
249.09903	0.8
281.19983	0.8
291.10901	1.0
443.18921	2.8
445.62842	0.8
457.91061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40121	2.3
56.25934	1.8
57.21988	1.9
61.98829	100.0
68.26198	1.9
85.01318	2.0
96.96023	3.3
98.19870	4.8
122.89652	2.0
199.15109	2.3
429.88025	2.3
442.25430	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	443.1918
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01870	2.0
57.03435	1.8
58.00582	1.3
59.01379	35.6
69.22257	4.1
69.22668	1.2
71.01382	24.6
72.99313	2.0
73.02945	5.1
77.42725	0.6
78.93488	0.5
79.72070	0.5
83.01374	3.1
85.02953	8.5
87.00887	0.8
89.02442	16.4
95.01392	1.9
99.00879	1.0
101.02443	17.5
101.40106	0.6
109.81215	0.5
111.04524	1.0
113.01735	0.8
113.02453	9.0
119.03516	7.2
121.06622	0.7
123.08181	0.7
132.23422	0.6
153.09265	0.7
161.02435	0.8
161.04552	1.1
161.82401	0.6
171.11777	0.6
179.05623	0.7
188.80325	0.5
189.12799	1.1
199.55820	0.6
219.13863	1.0
237.14954	1.4
284.43054	0.7
358.18878	0.5
443.19186	100.0
444.19519	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	442.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	20.1
57.15969	0.7
59.01379	20.4
61.98830	100.0
71.01384	2.7
71.30150	0.6
71.30469	0.7
73.02961	1.9
81.03414	0.7
82.72793	0.6
83.01420	0.6
85.02962	2.0
86.57614	0.6
88.98850	1.2
89.02452	1.5
99.00887	0.7
99.04516	20.3
101.02441	9.0
113.02482	2.4
118.98141	0.8
125.02451	7.0
129.01965	1.0
143.03542	1.2
144.21725	0.6
161.04619	1.2
169.82408	0.7
235.11862	7.4
258.03949	0.7
277.13034	2.8
317.15924	1.5
379.16077	13.6
380.16071	0.8
443.18564	0.9
449.05994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32027	1.0
57.03437	3.3
59.01376	7.9
61.98831	1.6
61.99743	1.1
69.34678	7.5
71.01380	8.2
72.99337	1.6
79.11383	0.8
85.02946	8.4
89.02451	3.7
91.44075	0.9
98.19902	1.8
101.02441	4.5
103.04005	27.0
106.06622	100.0
107.07001	2.2
108.08171	8.7
113.02423	1.3
118.06588	1.7
119.03476	1.9
120.08179	1.3
127.13068	0.9
131.03748	2.5
136.07669	1.2
139.00768	0.9
146.06078	2.5
147.04561	1.4
150.05603	75.1
151.05928	1.2
160.24413	0.9
162.05632	0.9
164.07175	36.5
174.05562	1.2
192.06657	39.5
193.06944	2.4
194.04602	13.5
198.16599	0.9
236.05637	5.2
247.08136	5.0
252.08788	1.6
265.09280	10.8
296.07666	7.9
323.10278	1.2
356.10095	1.7
398.14548	19.6
399.15005	1.5
442.13525	96.7
443.13828	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	442.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60344	0.8
53.79593	0.7
57.03452	19.9
59.01379	17.3
61.98830	100.0
69.70134	1.8
69.70555	3.0
71.01388	3.3
78.78989	0.7
85.02952	1.7
86.37334	0.7
88.31821	0.8
89.02468	1.2
95.36771	0.9
98.20032	1.9
99.04517	21.0
101.02441	8.5
113.02490	0.8
125.02435	5.8
143.03462	1.2
161.04549	1.0
235.11865	7.3
277.13004	3.4
302.62189	0.7
317.16144	1.9
339.02982	0.8
379.16089	15.4
380.16467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78425	1.5
57.03448	32.1
59.01377	44.4
61.98829	100.0
70.27942	5.7
71.01376	11.6
73.02943	6.4
83.01386	1.9
85.02947	8.2
87.00877	2.2
89.02460	3.2
91.98831	1.5
96.95985	1.6
98.19970	1.6
99.00830	2.2
99.04514	50.7
100.99564	1.4
101.02436	20.7
108.28985	1.4
113.02454	5.9
113.32774	1.4
125.02439	24.9
135.04543	2.8
143.03470	3.5
145.05051	2.8
149.06050	2.0
153.09346	1.5
161.02437	3.0
161.04587	9.7
163.03888	2.0
201.05464	1.3
217.07137	7.0
231.06602	2.7
235.08206	14.9
275.05545	2.2
277.09277	20.8
317.12375	3.6
335.13348	3.0
379.12387	32.7
443.19409	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	441.1954
Annotation	Go 6983 6983
Peak:m/z	Relative Intensity
59.01382	16.1
60.01719	0.6
61.98830	8.6
62.47279	0.4
71.01390	2.1
72.99346	0.8
73.02953	0.9
79.95737	2.1
85.02959	1.8
87.00865	0.5
89.02448	1.0
96.96014	94.6
99.00903	0.4
101.02445	2.0
107.10179	0.4
109.02966	0.4
113.02456	0.9
120.99641	1.6
121.02940	0.5
125.02446	0.7
127.73633	0.4
130.82890	0.4
149.99661	0.4
161.04558	0.8
193.05013	0.6
193.12346	0.6
323.41309	0.6
335.57669	0.4
397.23306	0.4
399.23572	0.5
405.32703	0.4
441.19467	100.0
442.19882	8.9
450.67502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19238	0.7
57.03433	3.5
59.01378	28.2
61.98833	5.3
71.01382	13.8
71.48062	1.1
72.99300	0.8
73.02927	1.3
78.41602	0.9
79.95724	1.5
82.72502	0.8
83.01374	1.6
85.02946	23.1
87.00871	2.5
89.02443	13.7
89.03962	1.0
94.68159	0.8
96.96004	3.7
99.00910	1.0
101.02450	12.2
103.04010	39.0
106.06622	6.6
113.02461	6.3
116.60613	0.8
117.03440	2.5
117.05567	0.9
117.83701	0.8
119.03506	5.7
129.01927	1.2
132.02199	1.9
133.02919	2.7
134.03738	38.5
135.04501	1.7
135.06538	0.9
145.05072	1.2
147.04509	2.0
148.05272	2.0
149.06046	6.0
149.07199	6.2
150.05585	7.9
158.03775	1.0
160.01671	19.9
161.02441	5.8
161.04390	0.9
162.24445	0.7
163.04085	0.9
164.07150	1.3
167.03369	0.9
175.03989	28.4
176.04791	9.7
177.01921	2.0
177.05403	0.8
178.02690	1.3
179.05611	1.1
191.07149	10.2
193.04935	30.1
194.04550	1.6
207.06471	4.0
217.04988	0.9
220.03674	2.3
235.05946	14.4
242.26222	0.8
265.09277	100.0
266.09598	3.8
295.08099	5.4
329.95648	0.9
337.09390	1.7
441.14017	99.1
442.14426	7.6
449.95508	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.2
61.98830	100.0
62.98537	0.3
63.16154	0.2
71.01408	0.4
71.54540	0.4
72.18066	0.2
86.75219	0.2
90.39634	0.2
96.96002	0.6
98.20161	0.4
100.21765	0.2
106.25526	0.3
113.95599	0.2
186.99037	0.3
329.40872	0.2
430.09631	0.3
439.35797	0.3
441.19925	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49671	0.4
57.03444	1.5
59.01383	3.0
61.98826	5.3
71.01381	0.8
73.02943	0.5
79.95737	29.7
80.96539	0.8
88.81812	0.4
95.94603	0.8
95.95234	20.3
96.96011	79.4
99.04539	1.4
100.04926	0.4
101.02448	0.4
109.02980	0.6
110.97578	7.6
121.02914	0.5
122.03745	0.7
125.02471	0.5
126.02795	0.4
136.99152	5.5
141.95776	0.7
161.04514	0.7
165.05560	1.7
167.00191	40.1
168.00519	0.9
229.40089	0.6
245.01155	0.5
259.02780	0.5
273.04343	1.5
287.06003	1.6
302.34311	0.4
303.05304	1.7
346.14005	0.6
361.16577	1.5
361.38586	0.4
395.07693	0.5
426.09760	2.7
441.12225	100.0
442.12555	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	439.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46908	1.3
55.01876	1.4
57.03451	2.3
58.00607	2.4
59.01381	28.2
61.40131	1.0
64.86854	1.0
71.01379	28.7
71.30064	2.1
72.99310	1.5
73.02949	10.9
73.05688	1.1
75.00861	5.5
82.83493	1.0
83.01373	2.2
85.02962	7.9
87.96994	1.1
89.02442	8.1
95.01396	2.5
98.37298	1.1
101.02438	9.6
110.41469	1.2
113.02460	19.3
125.06207	2.2
127.07692	1.4
139.07640	2.4
161.04539	2.7
168.79376	1.2
255.21179	2.3
259.20444	1.4
273.22153	7.6
275.20407	1.4
277.21722	100.0
278.22052	9.8
287.24063	1.3
291.23328	29.2
292.23718	1.3
301.21619	4.7
319.19394	1.7
319.22775	21.8
331.22754	6.4
344.75848	1.3
349.23779	5.0
442.25369	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.27
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48238	0.5
55.01873	1.0
56.29134	0.6
57.03432	2.1
58.00603	2.9
59.01379	25.5
70.02956	2.4
71.01382	25.3
72.99310	1.1
73.02946	8.2
75.00867	4.4
83.01382	1.8
83.05056	0.6
84.02153	1.1
85.02946	9.1
89.02449	7.3
95.01402	3.6
97.02946	0.9
97.06587	0.7
101.02439	7.4
113.02450	15.7
119.03472	1.8
125.02473	0.9
125.06064	1.7
129.72179	0.6
133.14711	0.6
139.07652	1.4
143.03439	0.7
147.16730	0.6
161.04555	1.2
247.71576	0.6
255.21152	1.2
259.20615	0.7
261.22232	1.0
263.23914	1.0
266.09308	0.6
273.22284	7.0
277.21707	100.0
278.22055	7.0
291.23297	32.5
292.23682	2.1
301.21704	6.4
303.23312	1.2
319.22751	16.5
320.23196	0.7
331.22757	6.4
332.23108	0.8
349.23828	3.9
422.80490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03449	1.0
59.01380	100.0
60.01719	0.9
61.98832	2.6
69.18564	1.7
69.18964	0.5
71.01382	14.6
72.99334	0.7
73.02947	4.0
74.75253	0.2
79.73975	0.2
83.01387	1.8
85.02955	6.0
87.00898	0.6
89.02448	6.6
95.01414	0.9
96.96030	0.3
97.02952	0.4
98.20654	0.5
99.00888	1.2
100.99925	0.2
101.02443	8.8
113.02449	5.3
119.03497	2.4
125.02470	0.7
130.85873	0.2
133.44925	0.2
143.03520	0.8
159.03000	0.8
161.04558	6.4
179.05634	0.7
184.06650	0.2
283.29623	0.3
379.21262	0.9
397.22290	12.1
398.22672	1.2
439.23450	0.5
441.21262	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27247	0.8
52.15393	0.9
53.80362	0.8
59.01381	8.1
69.03461	1.0
69.18394	8.4
69.39925	0.8
71.01012	1.6
71.01385	23.4
72.99278	0.9
73.02952	2.8
75.00879	4.2
83.01363	1.4
85.02953	3.5
85.86532	0.9
89.02444	5.2
95.01349	1.1
97.02953	1.5
101.02467	4.7
109.03976	1.0
113.02443	9.3
128.01231	0.9
130.22394	0.9
185.63284	0.9
220.15547	1.0
233.22713	1.0
273.22412	1.4
277.21713	100.0
278.22095	7.5
291.23196	3.5
292.23828	0.9
301.21692	2.7
303.23389	1.0
319.22766	16.0
331.22717	3.1
349.23700	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	439.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90763	0.6
58.00596	0.9
59.01378	100.0
61.98829	15.0
68.75624	0.7
69.03456	1.5
69.69375	3.9
71.01379	26.9
72.99339	1.1
73.02943	30.9
78.95914	1.3
81.03490	1.0
83.01379	9.5
83.05025	1.4
85.02942	4.2
87.00893	1.5
89.02440	7.8
95.01368	1.3
96.96023	2.1
98.20213	2.8
101.02439	28.9
103.03999	0.8
113.02442	9.7
115.41177	0.6
119.03503	4.3
121.03002	1.0
125.02422	1.8
128.10210	0.7
131.03535	2.2
143.03508	2.2
143.49075	0.7
147.08176	0.9
149.04605	2.1
152.99615	2.5
155.03606	1.0
161.04544	4.1
173.06143	0.8
211.13336	7.0
211.14851	0.6
211.72336	0.7
214.75659	0.7
235.13362	1.1
243.17082	0.8
265.09344	1.2
277.11005	0.9
376.16986	2.0
439.17413	3.0
440.31439	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	438.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82226	3.7
61.98833	100.0
64.34254	2.5
69.93079	7.7
69.93468	5.2
79.69102	2.9
98.20573	5.1
106.86325	3.0
161.43147	3.7
256.23718	5.5
305.14224	3.4
374.51569	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56017	0.8
54.06634	0.6
56.18361	0.8
57.03437	2.6
58.00587	0.9
58.24528	0.7
59.01381	19.2
67.25565	0.7
69.59050	1.3
69.59469	4.0
71.01380	9.0
72.15807	0.6
72.99316	1.0
73.02946	5.3
78.95904	27.1
79.78288	0.7
79.95738	0.8
83.05018	2.7
85.02947	11.8
87.00871	1.1
89.02450	12.4
96.96009	38.6
96.96964	61.4
98.20001	1.7
99.00893	1.4
99.04543	0.9
101.02436	7.1
103.04010	18.8
111.00832	0.9
111.03751	0.9
111.04522	16.1
112.98832	1.0
113.02434	4.5
115.00382	1.6
117.01942	9.6
119.03513	5.5
129.05592	1.0
138.00056	0.8
142.99850	4.9
145.01379	1.2
161.04514	0.9
173.00864	1.4
173.04526	13.2
179.05608	1.6
187.10014	0.7
233.04393	0.8
263.05777	0.9
265.09271	100.0
266.09622	3.1
270.68323	0.8
341.11038	0.9
439.08865	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	438.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
61.98830	100.0
69.66210	0.7
69.66618	1.0
80.48208	0.3
84.27342	0.3
96.96029	1.1
96.96921	0.7
100.38393	0.4
104.95172	0.3
176.16380	0.3
230.45309	0.3
442.85767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26026	1.1
55.01827	1.5
57.03449	61.8
57.03712	2.1
58.00576	2.2
59.01381	82.9
59.01661	2.7
61.98827	1.6
64.42384	1.1
65.36140	1.1
71.01382	29.1
71.54564	2.0
72.99262	4.0
73.02947	21.4
75.00821	1.2
81.03423	2.2
83.01379	5.7
85.02480	1.4
85.02948	20.8
87.00871	1.9
88.98765	2.1
89.02446	12.6
97.02913	1.8
97.06525	2.0
99.00892	2.4
99.04516	42.9
99.08089	1.9
100.04818	1.9
101.02442	31.2
103.04017	31.8
113.02441	13.5
113.06065	5.8
117.42043	1.2
118.98019	1.3
119.03503	6.5
123.04527	10.4
125.02451	16.0
127.07609	2.0
129.01859	1.5
131.03387	1.1
137.02345	1.2
141.05495	2.4
143.03452	1.9
143.10771	1.4
153.05475	2.4
161.04538	7.8
171.10258	21.2
179.05557	2.8
181.05064	1.3
187.09673	2.2
189.11314	40.8
190.11536	1.8
195.06480	1.8
203.12714	5.1
231.12338	5.7
247.08173	2.2
265.09207	8.9
293.12238	3.1
293.15823	3.8
321.15372	2.6
377.21631	1.5
437.19809	100.0
438.19867	8.9
460.32648	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
57.03448	30.9
58.00594	1.8
59.01378	100.0
61.98822	7.9
69.03444	1.9
71.01382	39.0
72.97516	1.3
72.99319	3.2
73.02943	39.6
75.00864	1.6
79.05511	1.9
81.03458	1.6
81.58768	1.3
83.01386	9.9
85.02950	15.1
87.00871	3.9
87.04514	4.2
89.02438	32.0
95.01348	2.5
96.95990	3.4
97.02957	2.2
97.06606	1.7
99.00854	1.8
99.04506	17.8
101.02445	43.8
103.04016	12.2
113.02457	19.3
113.05267	1.5
113.06085	26.9
115.07587	1.8
117.05589	1.4
118.98067	5.9
119.03488	13.4
120.99637	1.5
123.04515	12.5
125.02444	5.6
131.03522	3.3
136.07571	1.6
138.05585	2.6
141.05556	2.2
142.48137	1.4
143.03481	4.5
143.46777	1.3
149.04552	1.7
150.03143	1.8
161.04559	13.3
165.09210	1.5
179.05608	10.1
189.11223	2.4
191.01854	1.4
201.11349	13.4
221.06723	1.8
229.40652	1.6
247.08368	1.7
253.09358	1.9
257.09320	2.3
265.09241	8.4
293.12448	41.9
293.15771	3.3
307.10312	3.4
321.11798	5.2
323.13251	1.5
335.13437	19.1
335.17038	2.4
375.16446	2.9
389.15915	2.3
407.14700	1.5
408.91730	1.4
419.22971	1.6
437.15338	17.9
437.24078	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	437.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	57.8
58.00579	1.7
59.01379	78.4
61.98814	2.1
71.01022	1.6
71.01384	27.8
71.53033	1.2
71.53368	1.3
72.99282	3.4
73.02953	18.9
79.05489	1.0
81.03430	1.9
83.01381	4.3
83.61388	0.9
85.02464	1.5
85.02950	19.8
87.00847	2.5
87.04481	2.2
89.02443	11.6
90.96619	0.9
95.01329	1.4
95.05000	0.9
96.95972	1.4
97.02928	1.0
97.06541	2.9
99.00866	1.6
99.04520	44.2
99.08113	1.2
99.60728	1.0
100.04879	0.9
101.02444	36.2
103.04008	25.6
113.02462	10.3
113.06055	4.2
119.03518	6.0
123.04544	11.6
125.02446	15.0
127.07643	2.5
131.03461	1.6
141.05536	1.5
143.03441	3.9
145.05022	1.0
149.04530	2.3
150.03194	1.1
153.05447	2.6
155.03424	1.3
161.04562	7.7
165.05515	1.0
171.10260	20.0
171.61360	1.1
179.05533	2.0
181.05038	1.8
187.09705	2.3
189.11327	41.0
190.11606	2.1
203.12819	5.5
221.06479	1.1
231.12347	5.8
247.08093	2.2
265.09317	8.6
270.46329	1.0
293.12225	2.7
293.15836	4.1
315.17593	0.9
321.15356	1.8
377.21478	2.1
437.19907	100.0
438.20285	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	437.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.4
59.01378	30.8
61.98824	6.3
69.42014	8.1
71.01379	16.9
73.02953	10.4
83.01380	2.6
83.05008	4.5
83.23679	1.1
85.02953	16.3
85.06611	1.1
87.00853	1.5
89.02451	7.6
95.01373	1.7
96.95977	1.3
99.04527	1.8
101.02438	13.7
103.04012	37.9
107.08681	1.8
109.06609	3.3
111.04510	3.9
113.02408	5.7
113.76863	1.1
119.03484	3.0
119.64714	1.0
127.07652	24.1
129.05577	33.3
135.87471	1.0
141.34209	1.0
145.05009	1.5
151.07700	5.5
153.05562	1.1
161.47784	1.0
167.03447	1.2
171.06622	8.5
179.05696	1.1
189.07683	28.5
195.06564	3.9
195.27261	1.0
201.11368	1.4
231.08594	2.1
247.08263	4.1
261.09839	1.3
265.09229	24.6
280.67850	1.1
291.10803	3.5
307.10297	22.4
351.12698	3.6
385.23633	1.1
419.15662	6.7
437.16574	100.0
438.17035	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	437.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00195	0.9
57.03441	5.1
57.09026	0.9
58.00597	1.2
59.01378	58.4
60.99294	1.0
61.98824	3.0
64.49312	0.7
66.90869	0.8
71.01381	26.8
71.02883	1.8
72.01744	0.8
72.99321	1.1
73.02943	30.0
74.03307	1.0
83.01381	9.7
85.02946	37.2
85.06586	34.9
87.00864	1.7
88.98820	1.9
89.02444	10.0
99.00872	1.5
99.04525	1.3
101.02447	25.0
103.04010	63.0
104.04365	1.0
113.02451	8.6
113.06084	20.8
115.04018	10.9
117.01946	1.0
117.05606	1.2
119.03498	3.7
119.05004	0.9
123.40919	0.9
124.01637	1.3
125.02438	3.5
129.01941	12.5
129.05563	2.1
131.03502	1.4
131.26054	0.9
134.81151	0.9
139.04018	4.1
142.92856	0.8
143.03529	1.0
145.05077	2.6
147.02997	16.1
149.99602	2.1
157.05074	8.5
161.04526	3.2
168.00659	4.0
171.06616	1.1
183.71057	0.8
187.07602	1.2
189.07718	1.9
202.06351	1.8
231.10281	1.2
247.08183	15.2
256.50159	0.9
265.09259	35.7
266.09677	1.6
287.75339	0.9
307.10327	100.0
308.10715	5.5
333.27545	0.9
374.13098	1.0
437.16672	50.9
438.10501	5.7
438.16959	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	437.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17062	0.3
55.02335	0.3
55.52119	0.2
57.03437	0.6
59.01379	4.4
61.98832	1.8
68.86440	0.2
69.67387	0.8
69.67796	0.7
71.01372	1.7
72.99297	0.7
73.02958	1.0
73.41090	0.3
74.99081	0.4
79.95737	5.6
80.96515	1.1
82.10766	0.3
83.01375	0.4
83.05029	0.3
84.86280	0.3
85.02956	0.9
87.00880	0.7
89.02470	1.4
90.98721	0.3
94.98064	0.4
95.95234	1.7
96.80509	0.3
96.96010	72.6
99.04474	0.4
101.02434	2.3
103.04018	0.3
113.02454	0.7
119.03499	0.3
120.99687	0.4
122.97579	0.8
127.11304	0.3
138.97075	0.9
150.03209	0.5
150.97087	1.1
152.98602	1.8
153.64613	0.3
155.10789	0.4
165.05550	0.4
180.98088	3.0
195.10233	0.6
201.11311	6.1
241.00229	8.3
247.27348	0.3
253.09250	1.2
256.99905	1.4
263.56702	0.3
293.12463	0.3
347.39594	0.3
423.43414	0.3
436.25531	0.4
437.11185	100.0
438.11490	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	436.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	2.2
58.99606	0.9
59.01380	1.9
61.11992	0.5
61.98829	100.0
66.03497	0.6
69.71062	2.1
71.01392	0.4
74.02477	3.5
82.03014	0.7
84.04533	0.5
86.02491	1.4
86.99108	0.7
87.05675	0.8
89.02471	0.4
97.04122	0.8
98.19992	0.9
99.05637	3.5
101.02551	0.4
101.07237	0.6
102.05620	0.5
109.04106	0.5
111.05654	0.6
112.04062	0.6
113.22231	0.4
119.46091	0.4
128.03537	10.5
135.05605	0.8
141.06723	1.3
143.04614	14.5
145.06216	0.6
146.04601	1.4
153.06645	0.8
160.00748	2.1
165.01929	0.7
166.09897	0.7
167.04568	1.0
167.08156	0.5
170.03268	0.5
177.03355	1.0
179.04643	2.8
181.06235	0.4
185.05609	0.4
197.05708	0.6
210.08740	3.3
211.09688	0.4
240.88400	0.4
254.07776	3.4
254.54994	0.4
265.09552	0.5
270.08517	0.4
272.08862	4.3
277.94940	0.5
288.06616	1.5
306.07642	18.0
307.08054	0.7
332.09302	1.1
376.15887	0.9
436.13947	2.3
454.81323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65592	0.8
58.02976	5.5
58.99605	1.7
59.01371	3.5
59.43686	0.9
61.98830	100.0
70.02946	0.8
70.85803	2.3
71.01384	2.3
74.02473	11.9
82.02973	1.0
85.02926	1.3
86.02485	5.2
86.06120	1.2
87.05630	2.8
90.00200	1.3
96.96031	1.7
97.04043	1.1
99.05647	10.6
101.02430	1.6
101.07217	1.9
102.05629	1.0
103.04027	1.1
104.93308	0.9
107.06188	0.9
109.04076	1.4
111.05631	1.4
111.68860	0.9
116.64909	0.8
121.02946	3.3
121.03797	0.9
125.03591	1.3
127.05142	1.8
128.03542	30.0
131.04581	1.1
135.05615	2.5
141.06703	1.7
143.04617	41.0
145.06151	2.4
146.04637	4.3
153.06682	1.9
160.00748	7.2
165.01985	4.9
166.09840	1.6
167.04599	2.5
167.08272	1.5
171.07762	1.1
177.03426	2.5
179.04613	8.2
185.05688	0.9
197.05763	2.1
210.08841	7.0
254.07782	10.1
265.09503	1.0
272.08899	15.0
288.06671	4.3
295.12219	0.8
306.07657	53.8
307.07819	1.8
332.09167	1.9
385.35602	1.0
436.14142	6.4
437.15323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
55.70277	0.6
57.03442	3.3
58.00600	0.7
59.01379	52.6
60.01701	0.9
61.98832	4.5
71.01383	16.9
71.54650	0.7
72.99307	1.4
73.02950	3.2
83.01378	2.1
85.02950	7.0
85.06578	0.8
87.00883	1.2
88.80342	0.6
89.00667	4.5
89.02444	11.8
93.03463	1.3
95.01383	1.5
99.00884	2.0
101.02447	12.8
103.04034	1.2
107.05036	8.9
113.02456	6.5
119.03481	3.4
120.99638	1.9
121.02952	4.7
122.03766	5.8
124.01659	0.6
125.09695	2.7
127.11288	1.5
129.01950	1.4
133.02911	1.1
135.01201	0.7
135.04515	0.8
137.02473	1.8
143.10759	0.7
147.03058	0.7
147.03256	0.8
147.04509	5.8
150.03282	0.8
151.04033	1.3
155.96370	0.6
161.04617	0.6
163.04065	0.9
173.00822	0.7
173.08279	0.7
182.02110	0.8
187.09767	2.9
189.25780	0.7
191.03519	0.9
209.66290	0.7
211.06064	0.7
219.02974	4.0
223.02693	1.0
229.08676	11.8
230.08969	0.9
255.19659	16.9
256.20007	0.8
273.07654	8.2
273.20743	8.7
274.08130	0.6
279.05084	4.1
279.10822	1.2
313.11761	1.0
331.17776	0.9
338.06406	3.0
349.18518	0.8
375.24188	1.0
391.19708	2.5
417.24985	1.1
435.13141	23.1
435.25986	100.0
436.13492	2.3
436.26303	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	435.2598
Annotation	Eurystatin C
Peak:m/z	Relative Intensity
52.79161	0.3
54.37521	0.4
55.01865	0.9
57.03450	2.5
58.00577	1.2
58.61445	0.4
59.01379	37.7
60.01708	0.5
61.98837	2.2
71.01381	14.7
71.54253	0.5
71.54604	0.4
72.99303	1.6
73.02944	3.3
79.00550	0.4
79.95715	0.5
83.01388	2.4
85.02946	5.3
85.06591	0.7
87.00878	1.6
89.00684	0.8
89.02445	9.3
95.01393	1.5
96.96015	0.6
97.02959	0.4
99.00845	0.9
101.02436	9.4
103.03988	1.1
107.05009	0.9
113.02450	4.6
119.03503	2.3
120.89551	0.4
120.99665	2.1
121.02956	0.6
123.08109	0.5
125.02457	0.6
125.09718	3.0
127.11280	1.7
128.08461	0.4
129.01920	0.5
143.10759	0.9
147.04510	1.4
148.96266	0.4
161.04570	0.7
169.12378	1.1
177.02071	0.4
187.09752	6.3
187.13361	1.5
199.26013	0.4
201.11404	0.7
229.08691	0.9
229.10799	0.9
252.91374	0.4
255.19626	10.4
256.19971	0.5
265.09305	0.5
273.07629	1.1
273.20682	10.9
274.21167	0.8
286.07156	0.5
289.12836	0.4
313.11835	2.9
331.17627	1.4
341.06714	0.7
349.15094	0.5
349.18716	3.3
375.23993	0.9
391.19702	7.7
392.20029	0.5
417.25113	1.4
435.13049	2.2
435.19174	4.7
435.25986	100.0
436.19702	0.7
436.26334	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	435.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41749	0.3
57.03451	10.0
58.00594	0.4
59.01384	17.5
61.98827	0.7
65.26907	0.3
67.52727	0.2
68.91100	0.3
70.01070	0.3
70.17130	0.9
71.01385	10.0
71.05006	0.3
72.99306	0.9
73.02947	2.1
73.03309	0.3
75.00853	0.5
83.01405	2.3
85.02953	16.2
87.00914	1.0
87.04518	9.9
89.02451	3.6
89.28266	0.3
97.02946	0.3
99.00876	1.0
99.04544	0.7
101.02443	6.1
103.04015	100.0
104.04358	1.6
111.08163	31.5
112.08525	0.7
113.02460	2.9
113.06081	2.6
117.05569	0.7
119.03485	1.6
121.02996	0.4
125.02475	0.3
135.08176	1.2
136.58481	0.4
139.07658	8.8
141.09218	1.0
145.05077	1.0
151.07660	0.4
153.05550	0.8
153.08084	0.5
153.09224	7.0
154.09610	0.4
155.07155	16.3
156.07439	0.5
157.05069	0.5
167.99985	0.3
169.08699	6.9
187.09769	9.5
187.11432	0.6
197.08195	5.4
211.09770	1.1
221.43549	0.3
229.10834	2.1
247.08313	1.5
265.09283	12.4
266.09598	1.1
267.09717	1.0
273.20810	1.4
327.61310	0.3
403.16110	2.3
435.18707	65.3
435.25668	5.1
436.19131	4.9
436.25580	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.5
58.00584	1.0
59.01378	20.6
59.79646	0.4
61.98820	0.5
68.62514	0.5
69.14070	0.5
69.54070	1.9
69.54484	1.0
71.01380	13.3
71.05041	0.4
72.99293	0.6
73.02947	2.6
75.00864	0.6
83.01396	3.0
85.02946	20.0
87.00882	1.3
87.04514	17.9
89.02434	4.2
90.10358	0.5
95.01415	0.7
99.00893	0.9
99.04527	0.9
101.02435	7.0
103.04011	80.1
104.04344	1.4
106.13496	0.4
111.08157	41.2
112.08486	1.0
113.02457	2.9
113.06084	4.7
117.05550	0.6
119.03500	1.8
135.08134	0.7
139.07646	12.6
141.09218	1.2
145.05052	1.2
152.06036	0.5
153.05576	0.7
153.09207	9.7
155.07140	21.9
169.08699	10.4
170.09048	0.9
187.09746	13.5
190.28030	0.4
197.08188	7.7
211.09703	1.8
229.10817	3.5
235.20763	0.4
247.08142	2.4
265.09271	15.8
266.09418	1.4
273.20676	1.1
304.70056	0.5
349.25836	0.5
403.16010	2.5
435.18668	100.0
436.18979	8.1
436.25156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.7
59.01379	53.7
61.98817	7.4
63.34144	2.0
69.35601	6.0
69.36027	10.4
71.01396	12.7
71.05009	7.5
73.02939	7.1
83.05025	6.1
85.02959	11.4
87.00875	2.6
89.02421	7.3
97.02937	5.1
99.04513	4.3
101.02442	10.7
103.04017	26.7
103.53661	1.8
111.04453	2.3
113.02432	3.8
115.03211	2.3
115.04017	43.2
119.03484	4.1
120.99655	2.6
123.04521	7.2
125.02395	3.3
125.06092	27.9
127.03999	4.7
129.05641	2.1
143.07127	3.3
151.03961	7.0
161.04486	2.6
165.09187	4.3
169.05067	36.3
187.06104	76.9
188.06458	3.1
211.05940	5.0
229.07016	6.5
241.63426	2.2
259.08224	3.7
265.09286	15.2
273.07632	3.8
289.09341	10.0
291.10803	2.7
305.60901	2.1
331.10162	2.6
333.12158	2.2
349.11279	11.6
354.78571	2.2
435.14929	100.0
436.15091	9.3
450.44415	2.8
452.34512	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1296
Annotation	Phloridzin
Peak:m/z	Relative Intensity
57.03448	1.5
59.01379	25.2
59.56085	0.3
61.98835	2.5
65.00335	1.2
68.99858	0.2
69.03471	0.3
69.16506	1.6
69.16936	1.3
71.01376	2.1
73.02940	0.7
75.39058	0.3
79.05513	0.3
81.03455	10.1
82.03812	0.3
83.01374	4.3
85.02971	0.9
89.00657	0.3
89.02447	0.7
93.03457	7.1
95.01408	0.5
95.05053	0.4
99.04503	0.4
101.02451	1.3
103.04044	0.3
105.01985	0.3
107.01391	0.8
111.04536	0.5
113.02438	0.8
119.03595	0.5
119.05021	9.5
120.99608	0.3
121.02859	0.4
123.04523	27.9
124.04847	0.7
125.02445	13.9
134.03685	0.4
135.04535	1.2
137.02446	0.5
139.04047	0.5
145.06631	0.4
145.40588	0.3
147.04533	0.8
149.02440	2.2
149.06129	0.5
151.00369	2.8
152.01010	0.3
161.04564	0.3
163.03952	0.4
165.05515	0.4
166.02705	0.6
167.03491	73.8
168.03824	1.9
179.03491	8.1
187.07619	0.3
187.09756	0.7
189.05573	1.5
191.03488	0.8
211.07581	0.6
221.39648	0.3
228.24478	0.3
229.08688	1.2
246.75389	0.3
255.06699	0.6
273.07666	100.0
274.08032	5.3
315.08664	0.3
375.23965	0.3
410.74268	0.3
422.13095	0.3
435.13028	3.6
435.21939	1.9
453.91235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1297
Annotation	Trilobatin
Peak:m/z	Relative Intensity
50.86483	0.5
53.84600	0.5
55.31448	0.5
57.03443	1.2
59.01378	41.3
59.71063	0.5
60.01697	0.9
61.98592	0.4
61.98837	5.2
65.00311	0.6
66.45620	0.5
69.03447	0.6
71.01379	8.2
72.99303	1.3
73.02941	3.9
74.49416	0.5
75.00882	0.8
75.57022	0.5
79.95744	1.2
81.03455	10.7
83.01386	6.5
85.02946	4.7
87.00853	0.8
87.04517	0.6
89.00687	1.5
89.02437	2.3
93.03460	5.5
95.01353	0.8
95.05051	0.9
96.95999	0.6
97.02950	0.7
99.00891	1.0
101.02432	6.1
103.04017	2.0
107.01404	0.8
108.02191	0.6
109.02972	0.9
113.02447	2.7
119.03566	1.0
119.05021	14.0
120.99644	0.8
121.02953	3.1
123.04527	23.8
123.08145	0.7
124.01569	1.1
124.04848	0.7
125.02443	8.0
125.09714	3.3
129.01979	1.2
129.33376	0.7
131.03586	0.9
132.04277	0.7
135.04526	1.5
137.02446	1.2
137.06087	0.7
139.04013	1.5
143.10751	1.4
147.02980	0.5
147.04533	3.1
149.02402	2.3
151.00352	2.1
151.03987	0.6
152.01114	0.8
161.04555	1.7
163.04001	1.2
165.05482	0.7
166.02657	0.6
167.03490	72.6
168.03806	2.5
169.12335	0.8
175.00381	0.8
179.03487	3.5
181.05060	3.8
183.02904	3.0
187.09837	4.6
189.05589	2.7
191.03471	9.8
193.05008	0.7
199.13383	1.7
203.03419	1.0
209.04539	4.5
219.02927	2.5
221.04517	1.4
223.02826	0.8
229.08670	1.6
255.19615	0.8
265.09314	1.5
273.07672	100.0
273.20691	3.9
274.07996	5.8
279.05142	2.3
287.09277	1.0
297.07651	20.3
298.07928	1.8
303.30948	0.7
315.08759	5.4
326.98279	0.6
327.08731	1.6
331.17526	0.6
338.06421	2.6
349.18814	1.0
375.10797	0.8
375.18628	0.6
375.23804	2.2
391.19690	3.5
417.12286	0.8
435.12814	5.5
435.19159	6.1
435.25919	16.6
436.19046	0.8
436.26184	0.9
450.26712	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1295
Annotation	Pterosupin
Peak:m/z	Relative Intensity
55.01862	0.6
57.03444	2.3
59.01377	42.2
60.01700	2.8
61.01791	2.4
61.98825	5.7
68.24456	0.7
68.99819	1.2
69.03455	1.2
69.54524	1.2
69.54935	3.1
70.71286	0.6
71.01381	7.4
72.99308	1.4
72.99697	0.5
73.02946	3.0
74.19276	0.6
76.03740	0.6
81.03453	10.4
82.03779	0.8
83.01392	4.4
85.02970	4.8
87.00872	0.8
89.02446	4.1
93.03465	5.9
95.01385	2.1
95.05023	8.8
96.96012	1.1
97.02936	4.3
99.00910	1.0
99.04520	4.9
101.02463	4.9
103.03995	2.0
109.02933	1.6
111.04522	1.7
113.02438	2.6
115.04044	0.7
119.03464	1.5
119.05019	7.1
120.99661	1.7
121.02940	1.5
121.06586	0.7
122.03801	0.6
123.04527	16.1
124.04847	0.9
125.02451	19.9
126.02808	0.8
129.01927	0.6
135.04533	2.1
137.02443	2.6
137.05113	1.1
137.06090	12.4
138.03426	0.6
139.03989	2.0
141.05568	1.1
145.06567	0.7
146.04576	0.7
147.04514	2.0
149.02371	0.9
149.06093	1.5
151.00365	0.8
151.03983	0.9
153.05559	0.8
155.03555	1.0
161.04568	1.0
163.04002	1.0
163.07607	0.7
165.01933	0.8
165.05548	7.2
166.02557	0.8
167.03491	47.8
168.03821	1.1
171.04231	0.6
179.03496	7.2
179.07034	0.6
181.05043	1.9
187.07677	0.9
187.09647	0.9
189.05579	3.7
193.05043	1.2
195.75793	0.6
197.04568	2.8
209.04547	13.7
211.07727	0.8
213.14943	0.7
221.04524	2.7
229.08632	0.9
231.15915	1.4
239.05591	1.5
241.13574	0.6
249.70016	0.7
252.07559	0.6
255.06557	1.5
265.09253	2.6
271.09631	0.7
273.07648	8.4
285.07700	2.0
302.03259	0.7
307.10202	0.8
313.11957	1.4
315.08734	100.0
316.09009	7.0
327.08844	1.4
345.09729	23.7
346.09998	1.5
357.09732	0.7
375.20163	2.2
393.20749	3.3
417.11710	1.7
435.07513	0.4
435.13144	9.1
435.22156	14.0
435.29575	1.7
436.13229	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70614	0.3
57.03441	0.7
59.01379	12.3
60.01733	0.6
61.98829	100.0
66.03481	0.6
69.43655	1.1
69.44067	1.6
71.01385	2.4
73.02955	0.9
73.16105	0.4
76.60847	0.4
76.63865	0.4
82.97313	0.4
85.02953	5.0
89.02448	0.8
89.79778	0.4
93.89575	0.3
98.19967	0.8
99.00858	0.7
99.04533	0.5
101.02459	1.5
103.04024	4.7
103.04671	0.6
113.02475	0.9
124.03120	0.5
124.04040	10.0
134.03780	0.6
138.05609	6.3
149.02438	0.4
164.04762	0.6
166.05109	1.4
179.07178	0.5
181.04941	0.5
193.05045	0.9
196.40027	0.3
218.52065	0.4
251.16808	0.4
265.09473	0.5
270.21918	0.4
372.12970	23.7
373.13208	1.9
375.20255	0.6
435.13196	0.5
435.22351	3.2
435.29871	1.2
436.12576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79502	0.4
59.01376	1.9
61.98830	100.0
66.21195	0.4
69.53553	2.4
72.22588	0.3
75.67297	0.4
84.59775	0.3
103.97244	0.4
106.20361	0.3
108.30814	0.4
120.75034	0.4
177.51947	0.4
447.47507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03434	0.5
58.00586	0.3
59.01379	100.0
60.01717	0.8
60.78586	0.2
61.98841	0.3
68.36417	0.2
70.55167	0.2
70.72403	0.4
70.72727	0.3
71.01382	5.6
72.01721	0.3
72.99299	0.2
73.02947	1.9
74.31882	0.2
83.01413	1.0
85.02949	3.9
87.00897	0.4
89.02447	3.5
95.01395	0.6
99.00916	0.8
101.02441	4.6
111.00910	0.5
113.02450	3.6
119.03532	0.9
121.02962	0.5
125.02566	0.4
130.70282	0.2
137.02470	0.3
151.00391	0.4
159.03011	0.3
161.04568	1.7
171.53691	0.2
179.05649	0.4
196.71262	0.2
227.07088	0.5
229.18198	0.5
231.06664	0.2
243.03082	0.6
253.05132	0.3
255.02945	1.4
256.03146	0.2
271.02460	3.3
271.05914	0.5
300.02744	6.5
301.03522	1.7
373.22305	2.6
390.15125	0.2
391.23331	7.5
392.24014	0.6
433.07663	4.1
433.25095	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	433.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95023	0.2
55.01873	0.6
56.66130	0.2
57.03460	0.5
59.01377	100.0
60.01713	0.8
69.61347	1.1
71.01379	7.3
72.99331	0.3
73.02951	1.9
83.01388	1.0
85.02947	4.1
87.00904	0.5
89.02448	3.0
89.76722	0.2
95.01406	0.8
99.00903	0.7
100.41209	0.2
101.02437	4.7
104.00478	0.2
111.00900	0.4
113.02452	3.8
118.78799	0.2
119.03513	1.1
129.01897	0.2
143.03529	0.5
151.00392	0.4
161.04558	1.9
192.10753	0.2
194.92880	0.2
229.18193	0.4
243.03026	0.4
255.03041	0.7
271.02490	2.1
272.03009	0.2
273.08261	0.2
300.02725	3.9
301.03387	1.3
306.27216	0.2
373.22348	2.7
373.26605	0.2
374.22845	0.2
391.23352	9.5
392.23926	0.5
433.07770	2.7
433.19693	0.2
433.24933	1.8
434.24963	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69040	1.4
55.01847	1.4
57.03457	3.1
58.00592	1.9
59.01380	100.0
60.87461	1.5
61.98833	6.5
65.03946	2.0
66.48447	1.3
69.03435	1.5
69.50580	7.9
70.93270	1.4
70.93938	1.4
71.01382	24.0
72.99291	1.5
73.02954	6.2
83.01395	3.1
83.05038	2.6
85.02944	22.2
87.00896	2.8
89.02428	9.8
95.01376	1.9
99.04527	2.0
101.02440	14.6
103.04011	31.6
111.49990	1.3
113.02471	4.8
119.03507	4.5
119.05043	3.1
123.08126	4.0
125.09722	2.8
128.89252	1.5
129.01965	2.7
138.43686	1.4
139.11293	4.3
141.09186	7.9
145.05106	1.8
151.00374	1.6
155.10785	1.7
161.04659	2.4
163.04012	2.5
165.12862	5.1
167.10812	3.2
184.92767	1.4
185.08174	8.3
185.11827	29.0
197.11871	2.3
199.13490	3.0
209.11821	12.7
227.09274	2.3
229.05136	3.7
265.09283	15.7
303.18658	1.7
329.16119	1.7
347.17276	5.7
375.36890	1.5
389.18152	18.6
390.18405	2.0
391.20392	1.9
433.20914	97.8
433.27612	3.4
434.21478	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	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
55.43657	0.5
57.03450	1.0
58.00591	0.8
59.01381	100.0
60.01719	1.4
60.16594	0.3
61.01810	0.3
61.98841	3.6
63.02402	2.0
65.00323	3.5
69.03461	0.7
71.01385	14.3
71.54267	0.5
72.01749	0.4
72.99329	1.1
73.02950	12.2
76.12825	0.3
83.01387	6.7
83.01888	0.4
85.02946	4.2
86.03306	0.4
87.00877	1.8
89.02444	6.8
93.03457	4.2
95.01427	0.7
96.96027	2.5
97.02953	0.7
99.00911	0.6
101.02443	12.2
101.03111	0.6
102.02785	0.4
103.04040	1.9
106.04555	0.3
107.01394	8.3
107.02059	0.6
108.02200	0.7
109.02979	0.5
113.02457	4.9
119.03611	3.4
119.05029	18.6
120.05446	0.4
120.81409	0.4
121.02961	0.8
122.06132	0.4
123.04618	0.4
125.02469	1.1
126.99585	0.4
129.02066	0.3
131.03522	0.6
131.86458	0.4
132.86909	0.4
132.87978	0.4
136.01668	1.1
141.09247	1.6
143.03525	0.8
145.02998	0.5
149.04591	0.6
151.00371	27.8
152.00690	0.5
155.10823	0.3
160.64215	0.4
161.04570	2.5
164.01167	1.4
165.01930	1.0
167.10832	0.6
169.01364	0.6
177.01953	3.5
179.05659	0.6
185.08214	1.7
185.11887	0.5
193.12193	0.4
196.00128	0.4
197.11865	0.4
211.13387	2.6
211.15144	0.4
227.07137	0.4
229.05042	0.4
229.18071	0.5
265.09332	1.5
271.06113	61.8
272.06439	3.9
300.02722	1.4
347.17352	0.8
355.17816	0.6
373.14328	0.6
373.18265	2.6
373.22485	1.4
389.17935	2.3
391.19379	3.3
391.24017	0.3
415.19775	4.0
433.12039	11.6
433.20816	62.7
434.11649	0.9
434.21231	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	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.2
58.00590	1.8
59.01381	16.3
60.01705	0.4
61.98836	1.6
69.03445	1.1
69.27302	1.4
69.27728	1.3
71.01380	9.3
71.05014	0.9
72.99308	1.0
73.02950	2.1
83.01373	0.7
85.02946	16.9
87.00878	1.0
87.04513	8.6
89.02441	2.4
96.96020	0.4
97.02956	0.9
97.06580	0.7
99.00857	0.4
99.04501	1.0
99.08145	0.4
101.02429	2.8
101.06061	0.4
103.04012	29.5
104.04374	0.3
108.96722	0.3
109.06598	2.8
111.04485	0.3
113.02473	1.6
113.09721	1.7
115.07621	0.6
117.05602	0.6
119.03498	0.7
125.09692	0.7
127.07645	0.5
129.09221	0.7
137.06042	0.7
137.09737	0.8
139.11324	0.4
141.09229	0.4
141.12810	0.5
145.05043	0.7
151.07629	0.4
151.11256	0.4
153.05550	0.8
155.10789	2.0
161.04535	0.6
163.11307	0.6
167.10782	2.8
169.12338	1.3
181.12302	1.3
185.08292	0.9
185.11818	43.1
186.12207	1.4
199.13387	23.3
200.13698	0.7
227.12863	11.3
228.13182	0.7
239.12837	0.3
247.08214	1.6
265.09262	2.8
303.21790	0.4
315.49017	0.4
373.22226	0.4
389.19580	0.3
401.14633	0.4
432.23404	0.3
433.20819	100.0
434.21207	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	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
55.43657	0.5
57.03450	1.0
58.00591	0.8
59.01381	100.0
60.01719	1.4
60.16594	0.3
61.01810	0.3
61.98841	3.6
63.02402	2.0
65.00323	3.5
69.03461	0.7
71.01385	14.3
71.54267	0.5
72.01749	0.4
72.99329	1.1
73.02950	12.2
76.12825	0.3
83.01387	6.7
83.01888	0.4
85.02946	4.2
86.03306	0.4
87.00877	1.8
89.02444	6.8
93.03457	4.2
95.01427	0.7
96.96027	2.5
97.02953	0.7
99.00911	0.6
101.02443	12.2
101.03111	0.6
102.02785	0.4
103.04040	1.9
106.04555	0.3
107.01394	8.3
107.02059	0.6
108.02200	0.7
109.02979	0.5
113.02457	4.9
119.03611	3.4
119.05029	18.6
120.05446	0.4
120.81409	0.4
121.02961	0.8
122.06132	0.4
123.04618	0.4
125.02469	1.1
126.99585	0.4
129.02066	0.3
131.03522	0.6
131.86458	0.4
132.86909	0.4
132.87978	0.4
136.01668	1.1
141.09247	1.6
143.03525	0.8
145.02998	0.5
149.04591	0.6
151.00371	27.8
152.00690	0.5
155.10823	0.3
160.64215	0.4
161.04570	2.5
164.01167	1.4
165.01930	1.0
167.10832	0.6
169.01364	0.6
177.01953	3.5
179.05659	0.6
185.08214	1.7
185.11887	0.5
193.12193	0.4
196.00128	0.4
197.11865	0.4
211.13387	2.6
211.15144	0.4
227.07137	0.4
229.05042	0.4
229.18071	0.5
265.09332	1.5
271.06113	61.8
272.06439	3.9
300.02722	1.4
347.17352	0.8
355.17816	0.6
373.14328	0.6
373.18265	2.6
373.22485	1.4
389.17935	2.3
391.19379	3.3
391.24017	0.3
415.19775	4.0
433.12039	11.6
433.20816	62.7
434.11649	0.9
434.21231	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	433.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03448	5.5
58.00591	1.3
59.01376	72.8
61.98828	1.1
69.03448	2.3
69.35181	2.4
69.35606	1.9
71.01379	26.3
71.20903	0.5
72.99307	1.5
73.02942	34.0
75.00877	0.9
83.01381	15.5
85.02946	38.0
86.03252	0.7
87.00901	1.5
87.04477	0.5
89.02438	9.9
95.01385	1.7
97.02988	1.0
98.20570	1.5
99.00887	0.7
99.04534	1.6
101.02436	25.7
103.04006	68.7
104.04354	1.0
111.00883	0.8
113.02445	10.2
117.05580	0.6
119.03500	4.6
125.02454	1.2
129.05576	0.6
131.03485	1.1
143.03523	1.7
145.05069	2.5
149.04572	0.8
161.04581	2.8
167.10835	0.7
185.11818	22.6
186.12143	0.8
195.33720	0.6
211.11328	0.9
227.12862	2.0
247.08240	9.7
265.09265	33.9
266.09540	1.1
268.67218	0.5
307.10309	69.5
308.10590	3.7
415.19559	2.4
433.20737	100.0
434.21072	8.4
435.39703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89043	0.5
57.03445	5.0
58.00577	1.9
59.01379	34.9
60.01707	0.7
61.98828	9.5
65.00326	1.1
68.00661	0.5
68.99577	5.3
71.01380	18.2
71.54287	0.6
72.99287	2.0
73.02940	3.7
75.00871	0.8
75.72778	0.6
77.34502	0.7
83.01386	2.3
85.02947	27.9
87.00867	2.5
89.02439	17.4
93.03461	4.4
95.01433	1.0
97.02919	1.4
99.00898	1.3
99.04514	0.8
101.01794	1.0
101.02441	13.9
102.47735	0.6
103.04008	39.1
104.04354	0.7
109.06586	12.8
110.06934	0.8
110.99631	0.6
111.00885	2.5
111.08149	0.9
112.98578	5.6
113.02440	7.5
119.03513	7.7
121.02946	7.1
123.08161	0.9
125.02384	0.9
127.11279	0.6
129.01941	4.1
131.03569	0.7
135.04539	5.3
137.01459	1.1
137.02440	10.9
141.09210	4.1
143.03473	1.0
145.05043	1.4
151.00438	0.8
151.07611	1.4
153.05569	67.2
154.05876	1.5
161.04573	2.0
161.05983	0.6
167.07127	11.6
173.00876	1.7
179.05621	0.7
181.20464	0.6
185.08217	1.6
189.05382	0.7
209.08160	1.1
209.91231	0.6
227.16528	6.4
247.08168	1.9
251.05571	2.2
265.09265	100.0
266.09592	4.0
281.11615	0.6
401.14502	29.0
402.14764	2.1
433.17422	21.2
433.24356	13.3
434.17551	2.4
434.24353	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
56.84700	0.6
57.03447	5.5
58.00586	1.5
59.01379	40.5
61.97511	0.6
61.98830	10.6
65.00318	1.5
68.99562	2.7
71.01379	19.7
71.72590	0.5
72.99299	2.6
73.02966	3.9
74.99122	0.7
83.01384	2.3
83.04980	0.6
85.02951	34.9
87.00861	1.7
89.02442	18.4
93.03456	7.4
95.01392	2.1
95.02045	0.5
96.96049	0.8
97.02946	1.1
99.00863	0.8
99.04507	0.8
101.02442	15.3
101.06078	0.7
102.98604	0.6
103.04012	43.6
107.05050	0.9
107.96221	0.7
109.06592	10.7
111.00888	2.4
112.98568	5.2
113.02444	7.7
115.92120	0.6
117.05588	0.9
119.03508	8.0
121.02968	8.9
123.08154	0.7
125.02416	0.8
129.01939	3.7
135.04546	6.4
137.01491	0.6
137.02449	9.2
141.09177	3.4
143.03493	1.2
145.05116	1.6
151.07629	1.4
153.05582	70.0
154.05911	1.9
161.04587	1.1
167.07149	11.4
173.00868	2.1
179.05606	1.0
180.97618	0.6
185.08218	1.3
194.39798	0.6
195.06619	1.3
209.08115	0.8
227.16496	6.3
247.08128	1.5
251.05577	1.7
265.09271	100.0
266.09543	4.2
271.02463	0.8
300.02713	1.1
361.22037	0.8
401.14499	28.1
402.14838	2.5
433.17358	20.4
433.24411	11.7
434.17624	1.8
434.24680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74026	1.5
57.03435	3.1
58.14331	1.2
59.01377	100.0
60.01708	1.7
61.98817	15.2
65.03966	1.6
71.01380	23.4
71.13142	3.2
73.02943	12.5
83.01401	4.7
83.85404	1.4
85.02949	20.4
87.00909	1.6
89.02451	12.5
91.81101	1.4
97.02915	1.7
99.00924	1.4
101.02436	20.5
103.04006	29.3
103.26772	1.7
106.05206	1.3
108.98022	1.3
112.49923	1.3
113.02430	6.6
116.52816	1.6
119.03524	3.3
119.05043	4.4
123.08189	2.3
125.02445	1.6
125.09708	1.9
129.01932	2.3
139.11290	3.5
141.09239	8.7
143.03514	1.8
151.00359	2.0
161.04611	2.1
163.04001	2.5
165.12906	4.0
167.03551	1.7
167.10727	7.7
185.08264	8.2
185.11809	37.4
197.11923	1.9
199.13371	3.9
209.08485	1.4
209.11781	16.1
227.12863	2.6
229.05013	12.3
247.08478	1.7
253.05087	2.2
265.09210	15.5
329.15918	3.7
347.17175	7.2
350.31616	1.5
375.70767	1.7
389.18121	52.2
390.18747	4.5
405.63571	1.4
433.20947	87.6
434.21603	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
59.01377	12.6
59.01653	0.9
61.98828	29.0
62.98550	0.8
69.33489	1.5
69.33907	2.4
71.01384	5.1
72.99316	0.7
73.02970	0.8
74.96836	0.5
78.81131	0.5
85.02964	2.2
87.00909	0.7
88.98825	2.3
89.02432	5.0
94.98069	0.6
95.01388	2.5
99.04510	0.8
101.02440	2.9
103.04031	0.8
109.02962	0.7
112.50489	0.5
113.02460	2.2
115.00325	0.7
119.03504	2.1
120.99595	0.6
123.00880	25.4
124.01225	0.6
125.02491	0.6
129.01941	0.8
136.10979	0.5
137.02466	2.2
138.03226	23.4
139.03577	0.7
149.09705	0.8
151.11292	0.6
153.01968	0.5
153.05563	9.8
154.05855	0.5
161.04573	1.4
163.07655	1.7
166.99841	21.2
168.00215	1.1
175.02431	1.6
176.02751	1.2
179.05608	2.7
182.02200	62.0
183.02504	3.3
183.03897	0.5
189.06168	0.5
196.03819	0.6
196.92572	0.6
197.04538	100.0
198.04887	3.4
211.09717	1.2
253.10794	0.5
271.08203	0.7
373.15002	1.5
433.13351	29.7
434.13467	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.2
59.01381	29.8
71.01378	4.0
71.52279	1.1
72.11497	1.0
72.35902	0.7
72.99297	2.4
78.95486	1.5
78.95907	17.9
85.02957	12.7
89.02446	3.8
96.96013	12.9
96.96954	11.3
99.00887	1.1
101.02444	2.4
102.27549	0.9
108.02172	1.4
109.02959	3.1
110.98532	11.0
111.00896	1.5
113.02445	1.8
119.03508	2.1
120.02197	1.1
122.84476	0.8
123.00877	2.9
123.04515	1.2
129.01936	1.2
135.04556	1.5
138.03281	2.1
147.02966	2.2
148.01671	21.4
149.09729	2.4
153.05579	22.3
161.04529	2.7
163.04015	32.6
164.04379	1.1
166.02670	3.1
166.99844	2.5
175.67932	0.8
179.03505	1.4
181.05063	49.3
182.02235	4.6
182.05394	1.9
191.01958	5.4
193.05064	1.6
196.03764	2.1
197.04572	7.3
211.06110	100.0
212.06476	5.2
223.06290	1.1
278.21375	0.9
323.09839	1.5
373.15045	3.1
433.12857	2.0
433.17465	2.5
433.22302	1.0
449.06192	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03434	1.5
58.00600	0.5
59.01382	31.2
60.01690	0.7
61.98538	0.7
61.98833	8.6
63.02388	1.7
65.00327	5.3
68.99799	0.5
70.72023	1.1
71.01385	6.1
72.99265	0.5
73.02942	3.3
83.01391	4.0
85.02959	6.5
87.00875	0.7
88.31844	0.4
89.02451	4.3
93.03462	8.7
95.01385	0.9
99.00882	0.4
99.04501	0.4
101.02441	5.5
103.04013	2.8
107.01391	10.4
108.02222	0.5
111.00877	0.7
111.04518	0.4
113.02432	2.4
119.03547	1.4
119.05029	32.6
120.05364	0.9
120.99747	0.4
121.02932	1.0
123.04530	0.4
123.08202	0.8
125.02439	1.4
128.03532	0.4
129.01918	0.9
137.02428	1.1
141.09203	1.6
141.10191	0.4
145.02930	0.7
149.02408	0.5
151.00369	38.2
152.00691	1.1
155.10770	0.5
161.04587	1.0
161.05995	0.4
164.01131	0.7
165.01927	1.3
165.05562	1.8
167.10696	0.5
175.00392	1.0
177.01921	4.9
185.08202	2.5
185.11951	0.4
191.01936	0.4
193.01366	0.5
197.11821	0.7
211.13261	0.4
227.07059	0.5
227.12868	0.6
246.89020	0.4
265.09244	3.3
271.06116	100.0
272.06436	7.2
295.06134	1.2
300.02744	0.7
313.07095	1.2
347.13184	0.4
347.17087	0.7
373.18600	1.3
373.22720	0.5
389.18210	2.4
391.19772	1.3
433.07205	0.5
433.16718	2.1
433.21155	10.0
434.21335	0.9
445.76010	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1136
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
52.82075	0.4
57.03360	3.3
59.01289	20.8
59.01625	3.6
59.84050	0.6
61.98756	1.1
63.02308	2.7
63.02656	0.9
65.00233	9.0
65.00602	1.1
69.03384	0.6
71.01287	8.4
71.53919	0.6
72.99232	0.6
73.02856	2.3
74.98993	0.5
83.01287	6.2
85.02851	6.4
87.00792	1.3
87.05934	0.6
88.98739	0.6
89.02343	5.6
93.03452	5.8
95.01337	1.0
99.04414	1.6
101.02444	6.0
103.03896	1.6
107.01386	14.9
109.02881	0.6
109.06567	0.7
111.00785	1.1
113.02434	3.7
117.03389	0.8
119.03371	1.7
119.05034	32.0
119.05819	1.6
120.05283	1.2
120.99570	1.2
121.02864	1.7
123.04377	0.7
125.02453	4.1
129.01926	2.9
135.04523	5.1
137.02333	1.6
137.06044	0.6
141.09109	1.8
143.03461	0.7
143.05087	0.9
145.02965	3.4
147.02914	1.5
149.02353	0.8
150.03123	1.4
151.00371	60.7
152.00598	1.9
161.04466	1.6
161.05920	0.8
163.03949	0.6
165.01942	6.0
166.02605	0.7
167.03299	0.9
167.07117	1.0
169.01387	2.5
177.01930	5.7
181.33722	0.5
185.06003	2.4
185.08105	5.7
186.77754	0.6
187.03943	2.4
187.51381	0.5
191.01886	0.7
191.03514	0.6
193.01324	2.1
209.04514	1.3
211.09666	0.6
211.13385	0.9
213.14825	1.5
216.15991	0.5
223.02783	0.5
223.13249	0.8
227.07115	2.4
227.09216	1.3
229.04926	1.6
239.05612	1.1
241.14415	4.9
253.14551	0.6
265.09192	0.7
269.04663	0.6
271.06110	100.0
272.06470	6.5
287.11386	0.6
289.12921	0.7
304.11938	2.8
313.06888	6.2
315.18021	3.1
343.08350	1.9
373.19373	0.6
433.11594	19.3
433.16992	6.1
433.21463	1.5
433.24820	2.2
434.12106	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	432.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.5
61.46369	0.3
61.98829	100.0
69.51576	1.7
71.01379	1.2
71.41368	0.3
73.02938	0.4
78.95878	0.2
83.01373	0.3
84.81605	0.2
85.02949	1.2
87.70066	0.2
89.02486	0.2
96.96021	1.1
101.02475	0.8
113.02464	0.5
137.02457	0.5
210.06398	0.4
218.97989	0.2
221.07512	0.2
242.67796	0.3
271.51260	0.3
350.45514	0.2
432.21335	0.9
433.28217	1.0
455.38382	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
57.70959	0.5
59.01377	27.8
61.98812	0.7
65.00326	0.7
68.59122	0.4
69.28835	3.5
71.01369	2.7
73.02938	1.2
83.01383	0.7
85.02948	4.1
89.02442	1.2
93.03473	0.5
101.02447	1.5
107.01376	1.8
108.02174	1.2
109.02966	1.1
111.00928	0.6
113.02460	0.9
119.03538	0.6
121.02942	1.8
129.01932	1.7
135.00905	0.9
137.02437	0.7
148.01672	1.0
151.00354	7.5
161.04497	0.6
163.00360	0.9
164.01045	0.8
178.99942	3.0
185.05960	0.7
199.03923	1.0
211.04008	0.8
216.04205	0.6
226.02702	1.9
227.03450	2.4
227.07101	0.8
228.04051	0.6
243.02951	10.5
244.03539	0.6
254.02194	1.9
255.02957	22.4
256.03357	1.5
271.02454	50.4
272.02936	4.2
283.02435	0.8
299.02020	1.1
300.02722	100.0
301.03415	26.1
302.03879	1.6
414.02991	0.5
433.07675	63.1
433.24182	1.2
434.08075	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	432.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.01379	28.6
60.01714	1.8
61.01795	0.6
61.98829	100.0
69.70833	1.9
71.01372	3.6
73.02963	1.6
74.47107	0.4
83.01416	0.5
85.02929	2.7
89.02461	1.6
95.01416	0.4
96.96057	0.5
101.02452	2.9
103.04002	1.2
113.02473	1.4
119.03515	1.0
161.04526	0.9
164.01868	0.4
180.89291	0.4
182.02887	0.4
238.74928	0.4
250.17715	0.5
265.09280	0.5
271.02414	0.7
300.02869	1.0
372.21088	2.0
388.16785	0.6
390.22147	0.5
391.23193	0.9
433.07712	0.6
433.20728	0.5
444.24826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86446	0.2
57.03454	0.4
59.01379	15.4
59.45285	0.2
60.01711	1.3
61.01811	0.4
61.30967	0.2
61.98830	100.0
62.23830	0.2
69.68256	0.5
69.68669	0.8
71.01379	2.6
72.01719	0.2
73.02953	1.0
76.76362	0.3
83.01402	0.6
85.02947	1.2
89.02464	1.2
101.02460	1.8
107.01397	0.6
113.02462	0.8
119.03529	0.4
119.05029	1.2
125.02454	0.4
141.09230	0.6
151.00385	1.6
159.03017	0.3
161.04608	0.7
162.04813	0.3
165.01955	0.3
185.08257	0.5
265.09409	0.7
271.06079	3.6
371.20703	0.3
372.21054	2.5
389.18188	0.3
414.22238	0.3
433.11719	1.2
433.20847	0.8
433.28610	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
59.01376	2.7
59.61134	0.3
61.98831	100.0
71.01437	1.5
84.27659	0.3
85.02963	0.6
87.00883	1.0
88.98838	0.3
89.02464	0.3
98.19965	0.3
98.20507	0.3
101.02444	0.3
115.00356	2.6
173.79474	0.3
175.02475	10.3
176.02834	0.3
210.08900	0.3
232.72058	0.2
256.08759	0.3
265.09512	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01378	6.7
61.98830	100.0
71.01385	2.5
71.53663	0.4
72.99308	1.0
73.02932	0.4
83.01420	0.3
85.02967	1.6
87.00871	1.2
88.98821	0.5
89.02436	1.7
99.04533	0.5
101.02449	1.5
103.04028	0.7
113.02471	0.7
115.00388	2.5
119.03527	0.5
123.00880	1.7
123.04572	0.3
125.02455	1.5
138.03203	1.7
139.00537	0.2
149.09689	0.3
151.04066	0.5
153.05557	0.6
161.04561	0.7
163.07607	0.4
166.05090	0.6
166.99878	1.2
175.02475	10.0
176.02904	0.4
179.05643	0.6
182.02196	4.1
182.03552	0.3
184.06190	0.5
197.04539	6.8
211.09802	0.8
265.09442	1.1
373.15216	1.0
432.15302	0.6
433.13312	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	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03430	0.6
58.00599	0.4
59.01380	100.0
60.01723	1.1
61.98832	1.7
68.69363	0.3
69.66913	0.3
71.01384	11.7
71.01785	0.6
71.54462	0.5
72.99328	0.7
73.02943	4.3
83.01396	2.2
85.02950	4.4
87.00887	0.5
89.02448	5.9
95.01402	1.2
96.96024	0.7
97.02944	0.4
99.00887	0.9
99.04540	0.4
101.02442	8.1
101.47759	0.3
103.04062	0.4
113.02448	6.0
119.03519	2.2
131.03545	0.4
143.03496	0.8
154.66017	0.3
155.10764	0.6
159.02986	0.3
161.04576	2.7
166.02670	0.3
168.03078	0.3
169.62903	0.3
179.05641	0.8
181.03304	0.5
183.10320	0.5
199.09729	0.5
212.30345	0.3
226.06306	0.5
227.07143	0.4
227.16563	0.6
294.06265	0.3
371.20715	4.3
389.21805	8.3
389.26608	0.5
390.22238	0.7
431.18198	0.5
431.22800	2.2
432.22534	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15764	0.2
55.01867	0.5
57.03447	1.0
58.00590	0.5
59.01379	100.0
60.01715	1.3
61.98830	11.1
63.12975	0.3
69.32442	1.0
69.32870	1.1
71.01379	8.2
72.08134	0.2
72.99319	0.5
73.02945	3.8
78.47244	0.3
83.01394	0.9
85.02943	3.2
87.00882	0.7
88.98833	0.3
89.02444	6.2
95.01414	0.9
96.96003	0.4
98.19847	0.4
99.00912	0.4
99.04541	0.3
101.02441	6.2
101.03107	0.3
103.04002	0.4
113.02451	7.4
119.03481	2.0
129.01942	0.3
131.03471	0.3
143.03540	0.6
159.03038	0.3
161.04543	2.5
179.05653	0.4
191.05571	0.5
203.74358	0.3
209.15512	0.6
227.07204	1.0
227.16464	1.6
268.12762	0.3
269.04715	0.3
371.20752	3.8
387.16675	0.3
389.21774	3.6
413.12723	0.4
431.06448	0.4
431.14096	0.5
431.18875	0.6
431.23666	1.6
432.21283	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03452	0.6
58.00578	0.2
59.01376	100.0
59.89255	0.2
60.01709	0.7
61.98833	0.3
65.07063	0.2
67.65233	0.2
69.39014	0.8
69.39448	0.7
71.01376	8.2
73.02943	3.5
75.00872	0.3
83.01369	1.2
85.02945	3.9
87.00870	0.5
89.02441	4.0
93.10415	0.2
95.01360	1.2
98.20638	0.5
99.00898	0.9
99.04529	0.3
101.02432	6.2
113.02446	4.6
119.03497	1.8
125.02434	0.4
137.09776	0.2
143.03522	0.4
149.04506	0.2
155.88820	0.2
159.02983	0.5
161.04532	2.1
165.12898	0.5
179.05655	0.5
183.10242	0.6
227.16504	0.5
262.78052	0.3
273.11597	0.2
371.20746	3.9
371.25043	0.4
389.21774	7.4
390.22208	0.5
416.68048	0.2
431.23734	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Dictamnoside B
Peak:m/z	Relative Intensity
54.73977	0.4
55.01860	1.1
57.03454	2.1
58.00592	0.9
59.01379	100.0
60.01720	1.1
61.98832	7.4
69.68877	1.8
69.69291	0.9
71.01381	15.6
71.01778	0.8
73.02945	5.2
83.01388	1.8
85.02952	8.8
87.00896	1.3
88.98795	0.6
89.02448	5.6
95.01426	1.2
96.96015	3.3
98.20088	1.4
99.00903	1.8
99.04533	0.5
101.02441	11.3
103.04025	3.8
113.02448	7.2
119.03532	1.7
125.02457	0.6
139.07631	0.9
143.03497	0.9
159.03029	1.0
161.04541	3.6
183.10277	1.1
191.60197	0.4
209.15514	1.2
247.08299	1.8
265.09247	2.7
269.17609	0.6
311.10648	0.7
353.19690	3.4
371.20743	16.2
372.21222	1.2
387.16586	2.6
389.21674	4.1
413.21869	3.9
431.10638	0.8
431.19498	4.5
432.20227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15764	0.2
55.01867	0.5
57.03447	1.0
58.00590	0.5
59.01379	100.0
60.01715	1.3
61.98830	11.1
63.12975	0.3
69.32442	1.0
69.32870	1.1
71.01379	8.2
72.08134	0.2
72.99319	0.5
73.02945	3.8
78.47244	0.3
83.01394	0.9
85.02943	3.2
87.00882	0.7
88.98833	0.3
89.02444	6.2
95.01414	0.9
96.96003	0.4
98.19847	0.4
99.00912	0.4
99.04541	0.3
101.02441	6.2
101.03107	0.3
103.04002	0.4
113.02451	7.4
119.03481	2.0
129.01942	0.3
131.03471	0.3
143.03540	0.6
159.03038	0.3
161.04543	2.5
179.05653	0.4
191.05571	0.5
203.74358	0.3
209.15512	0.6
227.07204	1.0
227.16464	1.6
268.12762	0.3
269.04715	0.3
371.20752	3.8
387.16675	0.3
389.21774	3.6
413.12723	0.4
431.06448	0.4
431.14096	0.5
431.18875	0.6
431.23666	1.6
432.21283	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45455	0.4
55.01876	1.3
57.03452	2.0
58.00589	0.8
58.11523	0.3
59.01379	100.0
60.01717	0.9
61.98840	2.1
69.03452	1.8
71.01382	35.0
72.99310	1.9
73.02946	33.5
74.03280	0.4
75.00884	0.5
80.22330	0.3
81.03452	1.0
83.01392	9.4
83.21382	0.3
85.02950	8.2
87.00900	1.5
87.66004	0.4
88.98832	1.0
89.02447	11.8
95.01384	1.8
96.96030	1.3
97.02962	1.4
99.00887	1.3
99.04504	0.7
101.02443	32.8
102.02806	0.5
103.04010	2.5
111.00847	0.4
111.08156	1.7
113.02451	16.2
117.05587	1.0
119.03500	4.6
123.08128	0.3
125.02460	1.4
131.03487	2.6
143.03497	4.0
144.11935	0.4
147.03038	0.4
149.04529	3.2
153.09215	10.1
154.09602	0.5
155.03548	1.0
161.04555	8.8
163.11259	0.5
167.05461	0.5
179.05647	1.0
183.10294	1.4
191.14540	0.5
203.05679	1.0
209.12009	0.6
209.15457	10.6
210.15753	0.6
221.06679	0.8
227.16551	1.3
233.15521	0.5
239.89063	0.3
265.09488	0.8
269.14056	1.1
269.17529	0.8
270.14252	0.6
287.22281	0.5
371.20761	4.8
371.24973	0.4
372.21222	0.6
374.04633	0.4
389.21832	3.5
413.25558	0.6
431.18781	3.0
431.23224	5.4
431.27203	1.5
432.23468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2201
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
58.50745	0.2
62.96429	0.2
77.40719	0.2
78.95905	47.8
93.98135	0.2
96.96964	6.0
110.39844	0.2
127.91613	0.2
150.98006	1.7
152.99586	100.0
153.99933	1.4
171.00642	4.1
277.21722	0.8
321.37628	0.2
389.27441	0.2
431.22021	7.4
432.22443	0.8
432.53952	0.2
447.16364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.22
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84285	0.2
59.01376	0.8
61.36109	0.2
61.98824	0.5
66.97655	0.2
69.92715	0.9
78.95902	71.8
83.82601	0.2
96.96968	5.6
99.21987	0.2
99.66901	0.2
120.76442	0.2
150.98000	2.0
152.99580	100.0
153.99910	1.4
171.00632	2.5
248.90010	0.2
277.21753	1.4
431.21994	16.2
432.22208	1.6
432.27307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
57.03444	5.0
58.00581	1.0
59.01380	53.4
61.98840	3.6
63.81153	0.6
70.77168	1.5
71.01012	1.0
71.01383	15.8
72.99321	1.0
73.02938	3.7
81.07089	0.9
83.01381	2.2
85.02950	22.7
86.03250	0.8
87.00879	1.7
87.04501	1.1
89.02447	5.8
96.95989	0.9
98.20018	0.7
99.00867	1.2
99.04524	2.4
101.02438	7.3
103.04011	34.7
109.06541	0.8
111.04517	0.7
113.02439	3.9
119.03505	3.1
121.06582	0.8
121.10232	8.3
125.02438	0.7
133.10229	0.6
133.97516	0.6
143.03479	1.1
145.05051	0.9
145.10170	1.4
151.11246	1.9
153.09190	0.9
161.04552	1.6
161.09689	0.8
163.11234	2.3
165.09206	1.4
179.10817	3.7
183.10251	26.7
184.10619	1.4
189.09154	0.7
195.10234	1.1
197.11842	7.8
207.10226	3.8
207.13908	0.9
209.15509	0.7
225.11307	10.6
227.03473	2.0
247.08057	1.6
248.76387	0.7
251.12750	2.6
255.02972	1.7
265.06747	1.1
265.09296	12.1
269.17715	1.3
284.03165	2.1
285.03836	1.0
371.20816	3.1
389.21655	2.1
431.09595	3.6
431.19138	100.0
432.19464	9.3
452.42313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.6
58.00577	1.8
59.01379	14.4
63.71839	0.6
67.93155	0.6
69.03461	4.6
69.54362	4.0
71.01390	6.6
71.05009	0.9
72.99286	0.9
73.02932	1.0
77.74581	0.6
85.02952	18.4
87.00874	0.8
87.04498	0.6
89.02427	3.0
93.07090	0.8
98.20481	1.6
99.04516	1.9
101.02444	4.2
103.04009	26.3
109.06577	1.5
111.08142	2.0
113.02455	2.0
119.03481	1.0
123.08191	1.3
125.06068	0.8
127.07668	5.2
137.06091	4.2
139.11293	4.4
145.05022	0.8
155.07150	3.7
165.09183	1.4
183.10257	11.3
197.11806	3.9
207.10266	0.8
207.13887	1.5
225.11324	6.9
247.08199	1.5
251.12915	5.6
265.09274	7.8
403.37469	0.7
431.19186	100.0
432.19547	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	431.1194
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
50.75961	0.9
57.03451	72.5
58.03774	1.6
59.01379	32.5
61.98820	3.1
69.03441	3.2
70.71717	2.9
71.01377	10.5
73.02948	3.8
77.82657	0.9
80.35414	0.9
83.01386	3.4
85.02953	6.0
87.00886	1.2
88.98805	1.9
89.02459	3.3
95.01382	2.2
95.55937	1.0
96.96038	1.1
97.02964	13.8
99.00890	1.2
99.04521	47.7
100.04887	1.3
101.02449	21.1
103.04002	1.1
113.02451	5.6
119.03489	2.3
125.02448	100.0
126.02786	3.3
133.86819	0.9
135.04466	0.9
143.03482	2.2
149.05948	1.0
149.85114	0.8
159.03023	1.2
161.04535	6.5
161.05719	0.8
165.05548	1.3
179.03339	1.9
183.06641	1.2
193.04973	1.2
195.06688	1.7
196.03711	1.2
203.05460	1.1
209.08069	1.5
211.53442	1.0
217.02338	1.0
227.09166	1.2
243.08748	1.7
287.07849	1.0
311.11230	1.0
329.08875	1.4
425.43109	1.0
431.10672	1.5
431.15198	1.8
431.19760	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
59.01381	17.4
60.01716	0.3
61.98820	0.7
62.84409	0.2
69.03480	0.2
69.83990	0.3
69.84393	0.8
71.01382	3.2
72.99310	0.2
73.02941	1.2
78.86846	0.2
83.01384	0.5
85.02953	2.2
87.00869	0.3
88.98802	0.3
89.02454	1.7
90.00452	0.2
93.03453	0.6
95.01426	0.2
96.96008	2.0
99.00903	0.2
99.04562	0.2
101.02436	2.3
103.04027	2.1
107.05064	0.2
113.02463	1.5
117.03444	0.4
119.03500	0.7
119.05022	0.7
119.08673	0.2
119.66058	0.1
120.99612	0.2
123.04530	0.3
141.07089	1.1
143.05022	7.2
144.05350	0.4
145.02951	0.3
149.04533	0.2
157.06602	1.2
159.08141	2.2
161.04559	0.9
163.07610	0.2
165.09187	0.5
166.05173	0.2
179.10765	0.2
181.06538	0.7
182.07333	1.0
183.04460	0.2
183.08134	3.4
183.10229	1.4
184.05283	0.3
184.08569	0.2
185.06075	12.4
186.06360	0.4
197.11829	0.6
199.20206	0.2
225.05550	0.9
225.11198	0.3
226.06003	0.4
227.07135	100.0
228.07469	6.3
251.07176	0.4
251.12952	0.3
256.57309	0.2
257.57462	0.2
265.09244	2.0
269.13922	0.4
269.17511	0.3
371.11234	1.0
371.16699	0.2
371.20636	1.3
387.16714	0.2
389.12320	0.8
389.21765	0.7
431.13382	1.3
431.19495	5.5
432.19135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31040	1.5
52.30870	1.7
59.01389	9.0
61.98829	100.0
64.11993	1.7
96.94821	1.8
98.20771	3.4
116.72397	1.7
121.30115	1.7
166.78230	1.5
179.71039	1.7
229.46277	2.3
284.81143	1.8
430.30206	2.6
431.31467	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
59.01377	1.0
60.99308	11.5
64.95784	0.4
69.35156	3.2
71.01389	0.7
76.67478	0.4
84.20290	0.5
85.02946	0.7
87.00861	1.0
88.98807	100.0
89.02431	4.2
89.99123	0.9
96.96025	0.7
98.20421	1.8
99.04536	0.5
101.02402	0.6
117.88441	0.4
119.03468	0.5
135.04510	0.4
165.03960	0.5
341.10889	1.0
342.11124	0.6
431.08731	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	430.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.6
57.03427	0.6
59.01380	27.8
60.01698	1.0
61.98831	68.9
66.67416	0.5
66.78570	0.5
69.30943	1.1
69.31348	4.0
71.01388	5.6
72.01717	0.6
73.02953	0.8
75.79816	0.6
83.05057	0.6
85.02950	2.5
89.02444	4.7
98.20594	1.2
99.04534	1.3
101.02441	4.8
113.02466	2.3
119.03568	2.5
119.05026	100.0
120.05366	2.6
143.03444	0.7
161.04507	1.0
249.15010	0.6
251.12892	1.7
269.13882	1.1
371.20572	2.0
388.20639	0.9
431.18643	0.8
452.05463	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2645
Annotation	Gordonoside A
Peak:m/z	Relative Intensity
57.03451	0.4
59.01375	0.9
60.55070	0.1
61.98822	0.3
69.03452	0.2
71.01379	0.6
71.54510	0.1
72.99307	6.4
79.05505	0.1
79.62698	0.1
80.02673	0.4
81.03462	0.3
81.07100	0.1
83.01361	0.1
83.05044	0.4
84.02168	0.2
85.02955	1.0
87.00875	35.5
88.01218	0.4
89.02448	0.1
93.03464	0.1
95.05032	0.1
96.95992	0.1
97.06584	0.3
101.02463	0.1
107.05025	0.1
107.08598	0.2
109.06604	0.1
110.03791	0.1
113.02414	0.1
121.06562	0.1
123.08161	0.1
131.03485	0.3
133.10249	0.1
135.08139	0.2
141.88101	0.1
145.10205	0.1
147.08151	0.3
147.11800	0.4
149.09648	0.1
149.41536	0.1
151.11296	0.8
159.11786	0.1
175.11214	0.2
177.56357	0.1
183.11794	0.2
185.09781	0.1
185.13382	0.2
186.37460	0.1
187.11208	0.1
189.13118	0.1
193.12334	0.3
197.13361	0.3
201.12799	0.3
201.16522	0.1
203.10938	0.1
211.11313	0.1
213.12744	0.1
223.67104	0.1
225.16444	0.2
229.12343	0.7
230.12746	0.1
231.13933	0.2
241.16010	0.1
243.17453	0.1
247.13396	0.3
253.19537	0.1
257.19067	0.7
259.13403	0.8
263.12823	0.3
267.19693	0.1
269.19147	0.2
271.20627	0.1
277.14444	3.0
278.15198	5.1
279.15533	0.3
287.20184	0.3
297.22208	1.7
298.22736	0.1
309.22318	0.2
310.14285	0.2
317.17480	0.2
325.25287	0.2
335.23691	0.1
337.21747	0.1
337.25333	1.2
338.25763	0.1
339.23270	0.3
349.25354	0.4
351.23242	0.2
353.24844	0.2
355.26413	0.2
363.23489	0.2
365.24655	0.2
367.26434	0.2
381.24326	1.2
382.24170	0.1
383.25980	0.4
387.21552	0.1
393.24203	0.4
399.25415	1.5
400.25714	0.2
411.25424	2.7
412.25476	0.2
429.26413	100.0
430.26758	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18985	0.6
56.05475	0.7
56.16537	0.6
57.03452	1.0
58.00596	1.1
59.01381	100.0
60.01709	0.8
61.98828	7.4
71.01385	11.9
72.99300	0.8
73.02962	2.2
83.01404	1.5
85.02940	2.9
87.00874	1.3
89.02448	16.5
96.95997	0.7
98.19841	1.4
101.02438	13.4
113.02439	4.9
119.03505	10.7
131.03531	0.8
143.03529	0.8
147.97943	0.6
149.04581	1.0
161.04648	1.8
163.57463	0.7
165.12836	0.7
171.10275	0.6
179.05594	6.0
179.08376	0.6
207.13934	4.2
221.15485	1.2
246.15276	0.6
249.15131	1.4
298.05859	1.0
387.20587	0.7
429.20209	3.3
429.25336	2.9
432.47366	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65887	0.4
57.03453	2.0
58.00596	0.9
59.01379	100.0
60.01708	0.8
61.98827	3.8
64.15564	0.5
69.17070	1.3
69.17465	4.4
71.01378	10.0
72.99314	1.5
73.02949	1.2
73.06832	0.5
79.95732	0.9
80.03580	0.6
83.01395	1.7
85.02951	8.6
87.00866	0.8
89.02439	13.3
90.52512	0.5
91.40158	0.5
93.22454	0.5
96.96011	40.3
97.02940	0.6
101.02443	13.4
108.02174	0.5
113.02449	3.9
114.15981	0.5
119.03500	8.8
129.01944	0.8
131.03497	0.8
143.03484	0.9
147.02968	1.2
161.04549	1.7
165.12930	1.1
176.97804	0.5
179.05598	5.1
191.02037	2.5
207.13882	5.6
211.13289	1.2
219.13838	0.8
221.15350	0.7
227.03514	2.4
231.13921	1.0
249.14996	1.9
255.02925	3.7
284.03348	2.8
285.03922	1.5
385.16827	8.2
386.17041	0.6
411.17694	0.7
429.08545	2.8
429.19452	53.0
430.19724	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82762	0.4
57.03452	1.1
58.00595	0.5
59.01378	100.0
60.01718	0.8
60.37367	0.4
60.49346	0.4
61.61862	0.4
64.29477	0.4
68.13709	0.4
71.01379	12.9
71.30482	0.9
73.02947	3.2
83.01398	1.6
85.02951	5.0
85.69612	0.4
87.00875	1.6
89.02441	10.3
94.97385	0.4
95.01414	1.3
99.00884	1.1
101.02443	7.6
113.02445	6.3
119.03509	3.4
131.03497	0.6
137.09741	1.0
140.97375	0.4
143.03522	1.0
161.04575	2.0
161.13361	0.8
163.11234	0.5
169.25204	0.4
178.08760	0.6
179.05605	2.6
185.32692	0.4
189.12964	0.6
205.12357	0.7
207.13913	0.6
225.14981	3.0
249.11374	1.2
348.60205	0.4
369.19162	7.7
387.20187	10.4
388.20502	0.9
429.21631	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
55.01881	1.1
57.03447	1.9
57.11119	0.3
58.00594	1.0
59.01380	100.0
60.01708	0.4
69.03455	0.5
69.42260	2.8
71.01382	22.5
71.05047	0.4
72.99304	1.1
73.02948	6.6
83.01393	3.5
85.02952	8.0
87.00873	1.9
88.70937	0.4
89.02443	14.3
89.73137	0.5
90.21633	0.4
95.01379	2.1
97.02979	0.6
98.20512	0.8
99.00896	1.2
101.02446	15.8
105.32799	0.4
113.02444	9.3
115.03983	0.5
119.03506	4.5
123.08199	0.5
125.02444	0.9
131.03584	0.6
137.09718	0.8
138.97006	0.4
143.03506	1.3
151.11227	0.5
152.08437	1.2
161.04567	1.9
179.05728	0.5
179.10921	0.4
189.12933	0.4
195.13896	1.1
197.15535	1.9
205.12331	0.8
207.13895	2.1
211.55342	0.4
223.21431	0.4
225.14970	8.8
226.15257	0.6
306.15033	0.4
321.36539	0.6
369.12396	0.5
369.19156	35.7
370.19543	2.7
387.20230	49.7
388.20511	3.3
429.21304	19.3
429.27301	0.8
430.21603	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	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83280	0.4
57.03447	0.8
58.00622	0.6
59.01379	100.0
60.01713	0.7
69.03462	0.7
71.01381	16.1
71.30521	1.0
72.99315	0.8
73.02953	1.5
83.01393	1.1
85.02949	3.7
87.00882	1.0
89.02446	22.6
95.01402	1.2
99.00890	0.6
99.04539	1.3
101.02446	9.3
104.72030	0.4
113.02453	9.3
119.03504	9.4
122.52467	0.5
123.02942	0.5
131.03502	1.3
137.09758	1.7
143.03529	2.1
149.04636	0.9
161.04575	2.7
161.13347	5.3
179.05598	6.5
205.12318	8.0
206.12692	0.6
209.26804	0.4
249.11301	14.9
250.11665	1.4
369.19131	0.6
429.16937	13.8
429.22360	2.9
430.17606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
57.03447	1.9
57.10703	0.5
58.00594	0.6
59.01380	100.0
60.01708	0.9
61.98825	0.9
69.17558	4.8
71.01382	13.9
71.35898	0.5
72.99319	0.6
73.02949	3.1
83.01420	1.3
85.02953	7.9
87.00886	1.5
89.02438	6.8
95.01406	2.2
97.02953	0.7
99.00883	0.9
99.04532	0.6
101.02436	8.0
108.65691	0.5
113.02457	8.3
119.03493	2.9
125.02444	0.7
137.78270	0.4
143.03522	0.8
152.08447	1.0
161.04625	1.1
163.80963	0.5
171.39719	0.5
181.12427	0.7
186.20039	0.5
195.13742	0.7
196.62384	0.5
197.15439	1.1
205.12323	0.8
207.13924	1.4
225.14932	5.2
235.64664	0.5
282.66891	0.5
369.19165	35.0
370.19534	2.5
387.20218	24.6
388.20801	1.6
390.17923	0.5
429.21393	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	429.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67955	0.6
78.90160	0.1
86.77205	0.1
98.20560	0.2
99.00867	0.1
99.92585	4.8
100.92686	0.3
100.93369	4.7
113.92613	0.1
115.92084	100.0
116.92094	3.6
116.92876	5.4
117.92543	0.2
118.31519	0.1
132.92351	1.2
142.94458	0.3
146.55798	0.1
155.95230	0.3
172.95471	5.4
172.96989	0.3
173.18462	0.1
173.95512	0.2
242.07117	0.1
255.23312	0.8
256.11246	0.1
355.15796	0.8
356.16418	0.2
371.15399	0.2
381.17358	1.0
411.18506	0.3
429.19492	5.6
430.19846	0.8
452.34903	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	429.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
57.03437	2.1
58.00591	3.6
59.01377	100.0
60.01706	0.9
61.98833	4.1
62.78947	0.5
69.03473	0.7
69.31660	1.2
69.32076	3.6
71.01378	46.7
71.04980	0.8
72.99310	2.2
73.02934	2.7
73.39973	0.6
75.00890	0.6
81.07092	1.0
83.01383	3.5
85.02950	10.0
85.87906	0.6
87.00840	2.4
89.02441	56.2
90.02791	1.0
95.01380	3.4
96.96027	3.9
98.20553	1.5
99.04518	6.8
101.02438	27.7
102.02748	0.9
109.02959	0.7
111.04465	1.8
113.02444	17.2
113.06004	0.8
114.02706	0.9
119.03501	24.0
122.95609	0.6
125.02390	0.7
127.07617	0.7
131.03453	2.9
140.10760	0.8
143.03516	4.5
147.73566	0.6
149.04410	2.2
161.04547	4.5
161.13353	15.4
162.13492	0.8
166.04982	2.1
172.74370	0.6
179.05605	11.3
181.08568	1.1
187.11267	3.5
195.04279	0.6
205.12323	49.2
205.14085	1.7
206.12488	2.4
207.13637	0.7
223.13129	1.9
224.04755	8.6
225.05635	3.9
249.11293	53.6
249.13681	2.2
249.14944	1.9
250.11687	3.0
255.15709	1.0
265.09256	0.7
267.12128	0.8
267.15616	1.2
285.16608	1.7
369.18219	0.7
385.17844	2.3
387.20239	7.7
429.11099	5.4
429.16827	22.1
430.17007	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03452	1.6
58.00603	4.1
59.01381	100.0
60.01720	0.8
61.98829	1.9
62.64794	0.7
66.91408	0.7
69.72776	3.8
71.01382	49.5
72.01720	0.9
72.99308	2.7
73.02957	1.6
81.07090	1.1
83.01383	2.4
83.05020	0.8
85.02951	10.1
87.00869	2.4
89.02445	62.2
90.02782	0.8
92.13752	0.6
92.75510	1.0
95.01424	3.3
96.96032	1.5
99.04527	6.0
101.02445	27.3
103.04008	0.9
111.04494	2.7
113.01723	1.2
113.02458	19.5
119.03505	26.4
123.71435	0.6
125.02373	0.8
131.03482	3.0
143.03497	4.0
148.02737	0.6
149.04510	3.0
161.04529	5.5
161.12030	1.0
161.13365	18.6
179.05600	12.2
187.11229	2.0
205.12328	54.3
206.12653	2.1
223.13292	1.1
224.04756	4.2
225.05424	1.5
249.11320	61.9
250.11693	3.6
285.17041	2.1
374.40622	0.8
385.18405	1.9
387.20230	5.8
388.20154	0.9
394.06293	0.8
415.21750	0.9
421.34683	0.8
429.12000	1.8
429.17398	25.6
430.17676	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	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44702	1.4
55.01883	1.5
58.00582	5.0
59.01380	100.0
70.26605	5.8
71.01380	50.8
72.99284	3.4
81.07103	2.7
83.01389	2.6
84.20004	1.3
85.02940	7.5
87.00865	1.3
89.02443	62.7
95.01377	4.6
99.04528	6.7
101.02447	25.5
113.01722	2.0
113.02448	21.3
117.52193	1.5
119.03512	27.7
131.03459	3.2
143.03467	4.6
149.04558	2.5
161.04529	4.4
161.13359	21.5
179.05598	8.9
187.11212	3.3
191.97252	1.7
205.12335	51.0
206.12656	2.4
249.11304	61.3
250.11702	4.1
318.94473	1.4
373.20831	1.5
429.17545	18.3
430.17673	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	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.4
57.12716	0.8
58.00595	2.1
59.01380	100.0
60.01717	0.9
61.98834	1.6
69.30777	5.9
71.01384	36.2
72.99309	3.1
73.02952	3.4
78.27167	0.9
81.07105	1.1
83.01397	3.4
85.02958	8.3
87.00884	1.8
89.02446	34.7
95.01398	2.4
96.02715	0.8
96.96021	1.2
99.04527	7.8
101.02445	19.8
103.25525	0.8
111.04539	1.7
113.02454	13.7
119.03510	13.9
131.03523	1.3
137.09747	2.1
143.03493	3.1
149.04579	0.9
151.07503	0.9
161.04553	3.1
161.13364	14.8
163.11279	1.4
165.09222	1.0
166.76118	0.9
179.05598	5.0
182.21280	0.8
183.01192	0.9
187.11243	2.5
193.08604	1.7
205.12321	29.0
206.12770	1.5
223.13388	1.9
225.14923	4.8
249.11314	43.9
250.11673	2.2
251.16695	0.9
267.12363	3.0
326.07825	1.2
327.14243	0.8
369.19116	3.1
370.10422	3.1
384.08777	0.9
385.18723	1.1
387.20270	2.5
397.15131	2.0
429.16922	30.0
429.22198	4.9
430.17719	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	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03452	1.4
58.00594	1.5
59.01380	100.0
61.98816	0.6
69.03465	1.0
71.01382	23.1
71.53882	0.4
72.99307	1.4
73.02946	16.1
81.03494	0.5
83.01378	4.2
83.05014	0.5
85.02946	7.7
87.00900	3.8
89.02447	12.5
95.01384	1.8
95.05009	1.8
96.96008	9.7
97.02923	0.8
99.00849	1.9
99.04509	2.3
101.02441	15.9
102.02753	0.9
107.04979	0.6
109.06595	7.1
113.01736	0.9
113.02460	9.5
119.03515	4.0
121.06577	0.6
122.03741	0.9
123.04539	2.5
123.08120	1.1
125.02456	0.6
129.01875	0.7
131.03438	0.8
134.25078	0.5
135.04482	0.8
136.05302	3.8
137.09651	1.8
143.03429	1.8
147.08144	3.1
149.05994	0.7
149.09644	0.9
151.07639	10.4
151.11334	0.5
160.05298	3.7
161.04579	2.7
161.05769	0.7
161.13248	2.2
163.07603	0.6
165.09201	9.0
175.07631	5.7
177.05486	1.8
177.09212	9.0
179.05515	1.4
186.13297	0.6
189.09087	1.4
191.07011	1.9
193.08688	33.6
194.08902	1.9
205.12297	5.1
205.90967	0.5
209.08099	0.6
211.09573	2.4
223.13138	1.1
225.11322	7.4
225.14772	1.9
226.11588	0.6
235.09592	1.6
249.11327	7.7
267.12122	1.2
281.49310	0.6
316.42038	0.5
337.13043	2.5
355.13937	11.2
356.13910	1.3
359.02505	0.6
369.15012	2.1
369.18701	6.1
370.18948	0.7
387.15991	7.2
387.19946	4.0
388.20651	0.7
397.15012	37.0
398.15607	2.4
429.17307	21.0
430.17441	1.6
446.91190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1248
Annotation	mannosylglucosylglyceric acid
Peak:m/z	Relative Intensity
50.27674	0.3
59.01384	2.7
60.65491	0.3
61.39691	0.3
69.41862	1.1
69.42288	1.4
71.01397	1.5
77.49767	0.3
80.25294	0.4
84.44733	0.3
85.30775	0.3
87.00877	100.0
88.01205	1.3
89.02463	2.6
98.20498	0.9
99.69053	0.4
101.02444	1.2
113.02428	0.8
114.97654	0.3
119.03499	1.0
161.04637	0.5
174.08952	0.3
179.05586	1.0
198.62598	0.3
204.05592	0.3
236.39832	0.4
341.10916	7.7
364.66476	0.4
381.78296	0.3
429.12335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.0
57.21409	1.0
59.01111	1.9
59.01383	25.1
61.98835	15.0
69.37273	9.1
71.01382	11.4
72.99306	1.4
73.02966	6.0
75.96988	1.1
79.18360	1.1
83.01382	1.6
85.02956	7.5
87.00892	1.8
87.04527	1.6
89.02453	4.8
90.08326	1.1
93.03467	5.4
95.01353	1.2
96.96029	2.4
98.19853	2.1
101.02467	7.2
103.04025	1.5
109.02963	2.8
113.02472	4.9
119.03490	2.6
119.04987	1.1
121.02991	3.3
129.01970	1.8
134.03745	96.9
135.04167	3.7
136.01707	1.8
137.02452	9.3
137.06088	5.9
139.04076	2.2
147.04596	1.6
149.06091	41.9
150.03192	2.0
150.06418	3.0
151.02881	1.3
161.04604	2.9
163.03960	1.9
165.05592	1.7
172.80261	1.5
177.01970	1.7
178.02713	29.3
179.03313	2.6
181.01483	3.1
181.05075	18.7
192.04341	2.7
193.05060	53.3
194.05440	2.9
200.64514	1.6
207.06680	4.2
223.02541	5.6
225.07726	3.0
267.08731	1.8
267.16058	2.4
283.04703	9.4
315.07343	1.4
343.06854	4.5
385.11478	1.9
429.14200	100.0
430.14587	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	429.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
55.07355	0.6
56.52074	0.6
57.03447	5.6
58.14891	0.6
59.01379	99.9
60.01712	0.7
61.98830	3.8
69.61895	3.5
70.16473	0.5
71.01379	21.9
72.99294	1.5
73.02946	9.5
75.00854	1.1
81.03490	0.9
83.01386	4.7
85.02950	14.1
87.00906	1.4
89.02447	12.4
91.01917	0.8
93.03459	27.2
93.04025	1.3
95.01398	2.3
96.95982	0.9
99.00884	1.3
99.04527	2.3
101.02441	17.0
103.04017	8.0
107.05036	1.9
108.02203	1.0
113.02441	10.5
119.01366	1.0
119.03516	5.5
121.02945	1.3
122.06108	1.3
123.04510	1.9
125.02463	1.3
129.01945	1.6
131.03450	0.7
132.29517	0.7
135.04535	2.2
136.01648	11.5
136.05252	0.8
137.02446	25.2
138.02773	1.1
138.09254	2.1
143.03503	2.5
147.02931	0.9
149.02425	1.5
149.04472	0.8
151.04001	1.7
152.08453	0.7
161.04518	5.0
161.07306	0.6
161.13353	0.8
164.04813	0.8
164.07190	4.0
164.49832	0.6
173.00957	0.9
179.03494	16.7
179.05618	2.5
181.01421	22.1
181.04958	0.7
181.08583	0.8
182.01846	0.9
182.08228	2.9
191.01920	0.9
205.12341	2.3
207.10185	0.9
223.02483	39.4
224.02820	1.7
225.14954	2.1
239.05669	2.2
249.11310	2.6
249.15012	1.6
253.03572	4.9
263.07599	1.0
265.09244	6.6
265.50922	0.6
267.16107	0.7
281.06506	0.7
283.04593	75.5
284.04886	4.2
285.09894	0.6
290.79688	0.8
323.09830	1.7
325.05627	1.5
329.16010	0.6
343.06671	31.0
344.06927	1.8
369.19232	6.1
380.38293	0.8
385.11313	1.0
387.20190	7.6
411.09308	1.8
429.10345	100.0
429.22302	3.9
430.10614	7.8
430.17117	10.3
430.22025	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	14.2
59.01380	12.0
61.98832	100.0
71.01397	1.7
84.85654	0.8
85.02975	1.0
87.99139	0.7
98.20285	5.6
99.04520	17.1
101.02434	6.6
105.65567	0.8
110.94020	0.8
113.02520	1.3
125.02418	5.1
134.03764	1.8
134.06400	0.7
143.03528	1.5
149.06026	1.1
161.04593	1.4
178.02704	1.3
187.94762	0.7
193.05051	6.3
221.10352	5.3
263.11456	3.1
301.75864	0.9
303.14609	1.1
365.14508	13.6
366.14944	0.9
380.25876	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03164	0.7
57.03451	16.6
59.01380	15.7
61.98830	100.0
62.04823	0.4
62.34782	0.4
69.25087	4.1
71.01389	2.4
73.02951	2.1
83.01405	0.6
83.20321	0.5
85.02980	1.4
86.78950	0.5
89.02480	0.7
99.00922	0.5
99.04522	14.5
100.04856	0.6
101.02439	6.6
103.04021	1.1
113.02453	0.9
117.05601	1.3
123.04562	1.0
125.02438	5.1
134.03769	1.6
137.02483	0.7
143.03529	0.8
149.02443	0.6
149.06111	0.9
153.19942	0.4
161.04622	0.7
169.69572	0.5
178.02786	0.5
179.07135	0.5
193.05014	1.1
221.10295	5.3
223.06303	0.9
263.11386	3.0
265.09409	0.6
303.14563	1.0
321.15717	0.6
365.14499	17.2
366.14960	0.9
429.14368	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42640	0.5
59.01380	100.0
60.01720	0.6
61.98818	2.5
74.68724	0.6
96.96017	0.8
129.30901	0.5
222.13135	0.6
293.21231	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	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.91579	0.8
60.01706	0.7
61.98820	3.3
63.50655	0.6
70.63612	1.9
75.12856	0.6
91.04022	3.8
108.37186	0.6
128.47037	0.7
145.90181	0.7
160.77859	0.6
195.13785	0.8
267.13638	0.8
275.20193	1.6
293.21249	14.3
294.21695	1.1
427.25290	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85761	0.5
58.99606	0.9
59.01379	100.0
61.98830	4.7
73.29054	0.5
96.95963	0.5
98.45687	0.6
117.41624	0.4
129.63922	0.5
229.43622	0.6
250.86938	0.5
283.96704	0.6
293.21265	7.2
316.22189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1968
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
55.01883	1.0
57.03447	1.4
58.00591	1.1
58.33291	0.7
59.01379	100.0
61.98825	2.1
69.03410	1.0
71.01381	29.1
72.99298	1.7
73.02945	31.3
81.03480	0.7
83.01393	8.8
85.02950	6.7
85.99494	0.7
87.00878	0.9
89.01925	1.5
89.02452	14.7
95.01394	2.3
96.96035	1.4
98.20786	1.7
99.00871	0.9
101.02442	31.6
109.06599	1.0
113.02452	12.3
116.17283	0.7
119.03535	6.2
123.08168	1.3
125.02496	1.6
131.03542	2.0
133.04063	1.0
134.03633	1.7
135.08199	1.4
143.03539	3.1
147.08192	1.2
149.04575	2.3
153.09222	11.0
159.11729	4.3
161.04579	6.2
163.11307	1.4
176.04712	1.8
179.05664	2.0
187.11282	1.2
203.05591	1.0
203.10776	8.0
205.12329	10.9
214.99399	0.8
221.06728	1.6
223.13316	5.5
247.09726	5.0
271.79483	0.7
309.53876	1.0
367.10547	2.3
367.17801	2.9
385.10757	0.8
385.18723	4.5
427.20343	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	427.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14067	0.7
57.03436	2.0
58.00582	0.9
59.01376	100.0
59.61848	0.8
61.98813	3.5
69.68870	3.0
69.69289	1.9
71.01375	25.7
72.99285	0.9
73.02942	46.8
75.01505	0.9
83.01399	4.7
83.05037	1.1
85.02951	6.9
87.00832	0.9
89.02443	10.1
95.01393	2.1
97.02953	1.0
98.20633	1.6
99.00906	0.8
99.04484	3.3
101.02437	21.6
105.91943	0.8
112.27226	0.8
113.02430	13.3
113.22710	0.9
119.03481	3.7
121.06602	5.0
124.12727	0.9
131.03560	1.5
135.04504	1.8
137.09715	62.0
138.10016	1.9
143.03423	2.0
149.04486	0.9
159.11775	2.1
161.02368	1.5
161.04501	6.3
163.11250	3.1
175.11186	1.6
179.05580	1.6
201.86778	1.0
203.10777	3.9
205.12315	35.5
206.12617	1.5
223.13324	1.6
247.09676	2.9
247.13319	1.5
265.09216	1.5
367.17578	2.0
385.18478	1.6
388.34357	1.0
427.11301	1.1
427.20401	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
55.01866	0.8
57.03439	1.5
58.00598	0.6
59.01381	100.0
60.01707	0.7
61.98849	2.2
69.03452	0.9
69.06647	0.6
69.61959	4.5
71.01382	25.0
72.99333	1.4
73.02948	25.8
81.03479	0.7
83.01389	6.0
83.05005	0.7
85.02953	7.4
87.00897	1.1
89.02448	8.5
95.01388	1.5
96.96021	1.1
97.02977	2.3
99.00859	0.7
101.02447	21.3
103.04044	2.2
113.02448	12.9
113.06121	1.8
119.03503	3.0
122.03692	0.7
123.08173	2.3
125.02439	0.9
125.06084	1.1
129.49113	0.6
131.03477	1.0
133.03015	0.8
135.04524	1.3
136.05324	1.6
138.06868	7.5
139.07704	3.8
143.03522	2.2
149.04570	1.5
151.06537	1.2
151.07669	8.1
152.04846	1.0
152.08426	18.5
153.09216	50.7
154.09558	2.1
161.02428	5.8
161.04544	7.0
163.11243	1.5
165.09190	1.5
167.07089	0.8
173.66049	0.6
179.03491	1.3
179.05679	0.8
187.11185	0.7
190.10062	0.9
203.10748	1.0
205.12326	18.3
206.12784	1.2
213.03508	0.6
221.06757	0.7
223.13379	7.9
256.11295	0.6
263.13187	0.8
265.09192	8.3
281.07040	0.6
337.76547	0.8
347.15207	0.8
367.17599	6.1
385.18634	4.6
427.11890	5.4
427.20200	5.1
428.20554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96822	0.8
53.33067	1.0
55.73846	0.8
57.03445	2.2
58.00595	1.6
58.38667	0.7
59.01379	100.0
60.01722	1.1
61.98834	2.1
64.51769	0.9
69.03481	1.2
69.78506	1.8
69.78915	3.1
70.91864	0.9
71.01382	31.3
71.01782	1.6
72.99303	1.9
73.02950	7.0
79.05522	1.8
83.01386	3.9
85.02947	6.8
87.00877	1.7
89.02444	31.8
95.01376	2.3
96.96004	1.0
97.02946	2.9
97.16441	0.8
98.20666	1.0
99.04511	16.4
101.02439	18.6
111.04507	1.1
113.02452	11.6
114.02759	0.9
119.03510	12.2
128.04469	0.9
129.07121	2.0
131.03499	2.6
135.04521	1.9
143.03488	2.6
143.08670	1.4
149.06128	1.2
153.09198	2.9
159.11783	27.3
160.12114	1.6
161.04526	4.1
161.09715	1.1
170.41653	0.8
179.05577	5.6
185.09854	0.9
193.85667	0.9
203.10767	52.5
204.11076	3.4
205.12381	4.5
223.13396	6.2
233.08022	0.9
247.09750	31.9
248.10133	1.9
305.15991	1.5
348.47717	0.9
365.38669	0.8
367.17563	1.9
383.13495	0.9
385.18710	3.6
427.15683	4.9
427.19742	1.1
428.19138	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.7
58.00590	0.4
59.01380	10.2
61.98833	1.6
69.23316	2.5
69.23724	0.9
71.01373	5.3
71.05002	0.5
73.02954	2.5
75.00887	0.4
83.01382	0.9
85.02952	11.2
87.00912	0.5
89.02450	0.7
90.73280	0.4
96.95993	0.4
99.00874	0.6
99.04539	0.9
101.02434	3.2
103.04012	24.6
113.02455	1.3
119.03490	0.4
121.02954	100.0
121.06592	1.5
122.03297	3.1
125.02438	0.5
131.03505	0.3
135.04565	0.8
135.11835	0.7
136.01634	0.5
143.04993	0.6
145.05072	0.7
151.04010	1.2
161.09660	2.1
178.02702	4.3
179.03490	92.8
179.10707	3.3
180.03769	3.1
191.01913	0.4
193.05042	29.1
194.05374	1.4
203.10713	0.7
209.04501	0.6
221.04550	2.8
223.09767	1.1
247.08203	2.7
427.12393	51.5
428.12704	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	427.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44953	0.9
57.03447	4.7
58.00589	1.4
59.01380	35.7
61.98833	49.5
67.12622	1.2
69.03465	1.5
69.56123	2.9
69.56535	3.5
71.01382	30.3
72.99301	2.7
73.02945	2.8
73.90160	1.1
75.00874	20.6
83.01385	23.3
85.02953	9.5
87.00876	17.1
88.00392	2.2
89.02444	10.8
93.03479	1.3
95.01377	3.7
97.02953	2.6
99.00875	2.7
99.04507	4.9
101.02442	13.6
108.02168	6.7
109.02980	1.4
111.00890	4.1
113.02457	6.6
116.92838	1.2
117.05614	1.4
118.98042	2.2
119.03479	4.3
119.05076	1.2
122.03698	1.7
123.04529	5.1
124.01622	2.5
125.02481	2.8
129.01941	15.0
132.02133	2.6
133.03036	1.1
134.03734	5.9
135.04503	5.1
137.02426	1.3
141.01956	2.7
146.03687	1.3
147.04529	5.1
148.05299	46.3
148.06465	2.4
149.02426	3.1
149.06093	8.4
159.04527	5.7
160.01656	20.5
160.05290	4.7
161.02466	2.0
161.04507	1.2
162.03236	2.5
163.04024	10.5
163.07645	53.8
164.04747	3.2
164.08052	1.3
165.05519	1.6
170.03787	1.2
173.02386	2.8
174.03223	1.1
175.04002	28.5
175.07617	1.3
176.04707	4.0
177.05585	5.1
178.06349	14.2
179.07127	2.5
187.03990	5.8
188.04782	38.7
189.05312	4.0
190.02682	2.2
191.03510	1.3
191.07161	4.1
193.05052	3.3
193.08702	2.6
202.02638	1.3
203.03537	1.7
203.07120	11.8
204.04251	3.6
204.07516	1.2
205.05005	6.0
206.05840	12.8
219.05064	3.5
220.07338	1.5
221.08182	54.2
221.10016	2.1
222.08502	2.5
223.06152	1.6
223.09673	2.0
231.03279	1.2
232.03735	4.5
247.06123	28.8
248.06537	2.6
250.18533	1.1
263.11356	1.4
264.06342	2.8
265.07068	11.0
267.08780	4.2
303.07214	34.7
304.07547	3.3
337.09268	4.9
365.14490	10.5
383.13449	36.9
384.13745	3.7
404.84927	1.3
427.12424	100.0
428.12897	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	427.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
57.03437	2.6
58.00586	1.7
59.01380	41.3
61.98830	82.5
65.56128	0.9
69.91717	4.6
71.01379	32.1
71.23342	0.9
72.99296	2.6
73.02946	8.5
75.00871	23.3
83.01385	27.9
85.02955	10.5
87.00875	17.7
88.98802	4.5
89.02444	13.3
89.89708	0.9
95.01373	3.4
97.02940	3.7
99.00878	1.2
99.04516	2.3
100.00421	1.3
100.01678	1.3
101.01916	1.2
101.02459	14.8
103.04009	6.1
107.00618	1.0
108.02161	5.5
110.00095	1.2
111.00874	2.5
113.02445	9.4
117.03442	1.3
117.05586	5.3
118.98095	2.5
119.03512	5.9
119.05022	1.1
123.04517	6.1
124.01669	1.5
125.02397	1.9
129.01952	17.6
131.03490	1.1
132.02126	2.4
133.02954	1.1
134.03772	6.9
135.04517	2.2
136.07645	1.1
137.02419	1.2
139.98622	0.9
141.01907	2.8
144.02998	1.0
144.27997	1.1
145.02943	2.5
146.03622	1.1
147.04517	3.6
148.05298	51.5
149.02441	3.1
149.06100	8.4
159.04543	5.8
159.06558	2.0
160.01672	19.2
160.05272	4.6
161.02386	3.1
161.04501	2.3
162.03238	2.3
162.06863	2.0
163.03989	9.2
163.07643	53.7
164.04803	4.7
164.07990	2.7
173.02390	2.9
174.03180	2.4
175.02562	2.2
175.03999	33.6
176.04793	6.3
177.05511	5.6
178.06339	15.3
179.07028	2.2
187.03960	4.2
188.04790	37.1
189.05357	3.7
190.02654	2.1
191.01811	1.4
191.03430	2.4
191.07059	5.3
193.05019	4.6
193.08667	3.5
201.05591	1.7
203.03520	2.5
203.07121	13.3
204.04214	3.5
204.07515	1.3
205.05069	5.8
206.05803	13.0
207.06474	2.0
214.02705	2.0
219.04797	4.7
219.06676	3.0
221.08182	50.7
222.08604	3.5
223.06058	2.6
223.09769	1.6
232.03780	6.7
235.05997	1.4
247.06097	30.4
248.06487	1.9
261.07690	1.6
264.06329	2.9
265.07037	11.4
265.09299	1.6
267.08722	2.4
303.07217	35.3
304.07510	2.4
307.10355	3.2
337.09167	4.4
365.14471	26.5
367.88043	1.2
383.13461	35.5
384.13641	2.3
427.12418	100.0
428.12823	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	426.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	30.9
58.03801	0.7
59.01379	15.6
61.98830	100.0
70.03225	1.1
70.03640	2.0
71.01385	6.5
73.02946	1.8
75.24537	0.6
79.98453	0.5
81.03458	0.7
83.01385	1.4
85.02958	2.2
87.00861	0.7
89.02441	1.8
99.04520	29.4
100.04848	0.9
101.02448	9.9
113.02473	2.3
119.03517	0.6
120.99637	0.8
125.02444	16.7
125.03342	1.1
143.03534	1.4
161.04562	12.1
189.93507	0.6
203.10637	0.6
205.12291	1.2
265.09238	0.9
290.75659	0.6
303.80151	0.7
321.08377	0.8
426.12860	1.6
427.11917	0.8
427.20135	1.5
450.54529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	61.3
59.01381	18.9
61.98830	100.0
71.01379	12.2
73.02956	2.3
81.03477	1.3
82.70284	1.1
85.02953	4.1
87.00880	1.7
87.04480	1.0
89.02448	2.8
96.96007	7.3
98.20068	5.3
99.00890	1.3
99.04521	55.0
101.02445	15.3
104.79240	0.9
111.00837	1.0
113.02445	2.0
117.05551	1.7
120.99644	3.0
123.00923	0.9
123.04523	0.8
125.02448	27.5
126.12025	1.0
129.01958	1.5
131.64052	1.0
135.04482	1.2
143.03474	2.5
145.05078	1.3
149.02417	3.2
159.11810	1.1
161.04558	19.9
164.04758	1.3
169.69922	0.9
185.03816	2.3
193.01450	2.2
203.10745	5.0
208.03648	1.8
223.06096	6.6
226.74352	0.9
235.08319	1.2
247.09732	2.1
256.64240	0.9
260.03403	1.7
265.09134	0.9
321.07919	1.1
338.08423	1.1
426.12399	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77358	1.3
55.01880	3.1
57.03432	4.0
59.01380	100.0
61.98831	16.7
67.70658	1.2
69.41892	9.5
71.01383	41.1
72.99300	4.1
73.02947	13.7
75.00854	5.8
83.01378	5.7
85.02949	15.4
87.00845	4.4
87.04520	1.7
87.17661	1.1
88.98778	2.6
89.02449	19.4
95.01377	1.9
96.96004	3.8
98.65759	1.4
99.00865	4.1
99.04489	2.0
100.00374	2.1
101.02439	34.6
107.45144	1.1
113.02460	13.0
119.03490	5.3
125.02322	1.4
129.01956	1.4
129.09286	1.2
131.03561	1.4
135.03012	1.9
135.04524	8.6
136.07649	4.1
143.03502	2.5
144.03000	1.7
148.05293	2.8
159.02980	3.8
159.10243	3.4
161.02515	2.2
161.04568	20.4
163.07616	3.6
174.01672	1.7
176.10759	3.1
177.01909	3.1
179.05562	4.6
194.26788	1.4
198.88011	1.6
203.12831	3.6
221.08116	1.7
230.05743	1.4
243.12010	2.2
244.07460	1.6
244.12541	1.3
245.12881	4.4
261.12457	5.3
263.00839	1.2
263.13913	1.9
264.08957	1.9
305.11212	1.8
305.15884	1.7
365.18134	92.2
366.18500	7.9
425.14642	18.0
425.19641	5.8
426.14679	1.9
448.69522	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79565	0.6
57.03436	0.6
58.11934	0.6
59.01379	100.0
60.01726	0.8
61.98837	5.1
65.43701	0.6
69.03471	0.9
69.16660	6.5
69.85979	0.6
71.01385	2.3
73.02957	1.2
75.46690	0.7
85.02943	2.8
87.00905	1.0
95.24837	0.7
96.96007	1.1
101.02472	2.2
113.02447	1.0
129.01962	0.9
134.06154	1.5
135.04533	0.7
142.70961	0.7
160.04150	0.8
164.04852	2.2
177.09143	0.8
178.05133	1.1
179.07144	2.8
188.03572	0.8
189.53336	0.7
219.14008	0.7
232.02644	1.0
237.12990	1.7
239.14378	4.0
253.16154	2.4
255.17538	16.3
256.17999	1.2
279.17612	2.4
281.19028	5.3
297.18750	1.1
299.20166	6.0
315.19760	1.9
317.21271	0.8
333.20908	0.9
335.22327	5.8
365.23306	71.1
366.23660	6.5
379.21432	2.5
394.07852	1.5
407.13596	0.8
425.13055	0.8
425.18411	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	425.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
57.03446	13.8
59.01376	3.6
61.98825	3.7
69.19498	2.7
69.19926	3.5
71.01374	4.5
72.99314	4.4
73.02929	1.6
75.00865	2.9
78.95905	1.4
79.63419	0.6
83.01382	6.0
84.02164	1.6
85.02952	100.0
86.03315	1.9
87.00910	1.2
96.96016	4.0
96.96983	3.3
96.97510	0.7
99.00844	0.7
101.02431	1.3
101.97572	0.6
111.00883	16.3
112.01196	0.6
121.02959	17.1
129.01945	47.8
129.09222	40.9
130.02332	1.2
131.05000	0.8
132.59213	0.7
133.02965	0.8
133.06599	1.9
135.04532	2.0
142.05431	0.6
147.03004	1.8
148.67996	0.6
161.06070	1.9
163.96936	0.7
173.00914	14.6
189.05562	3.8
191.01974	2.2
197.11838	5.4
233.04439	0.7
251.05629	9.5
252.06107	0.6
259.11841	5.2
295.04675	3.2
303.10852	5.1
425.14197	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2003
Annotation	9-Hydroxyrisperidone
Peak:m/z	Relative Intensity
50.43342	0.3
58.64807	0.3
59.01376	0.4
61.98809	0.4
66.29456	0.3
72.49170	0.3
79.95741	1.8
96.96015	100.0
98.19888	0.8
156.05460	0.3
156.53064	0.3
178.25616	0.3
190.53238	0.3
226.87877	0.3
240.34656	0.3
347.01526	0.3
389.19119	0.4
425.20038	97.5
426.20346	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	425.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37329	0.8
55.01876	2.8
57.03445	13.4
59.01374	3.5
61.98820	2.7
62.42164	0.8
71.01390	4.2
72.99317	3.8
74.55192	0.9
75.00869	1.3
75.06705	0.9
83.01370	5.0
83.79556	0.8
84.02180	1.6
85.02950	100.0
86.03259	1.1
89.45176	1.0
91.54644	0.9
96.96016	1.7
99.92506	0.9
101.02463	1.6
111.00873	18.7
115.92046	2.2
116.92855	1.8
121.02952	20.1
129.01939	51.9
129.09216	37.0
130.02296	0.9
130.09595	1.7
131.04936	1.1
133.06595	2.0
135.04544	1.5
147.03036	1.4
147.82774	0.8
161.06059	2.2
169.12254	0.9
173.00888	11.1
189.05568	3.7
191.01945	1.7
197.11888	5.9
251.05617	9.4
252.05878	1.2
259.11902	5.5
295.04630	3.6
303.10907	5.1
328.30673	0.8
365.23215	1.2
380.99744	0.9
409.03735	0.9
411.34863	1.0
425.14420	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01125	0.3
59.89249	0.3
66.59736	0.3
70.35143	0.7
70.35533	0.7
78.95902	7.1
89.72026	0.3
98.74511	0.3
110.98527	4.6
152.99597	0.4
167.01131	4.3
185.02179	2.6
255.23282	100.0
256.23630	5.7
423.25171	13.5
424.25424	1.2
442.82031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69936	0.3
65.93414	0.3
68.23360	0.3
69.80574	1.3
76.37068	0.3
77.49567	0.3
78.95904	10.6
104.08915	0.3
110.98530	7.7
167.01147	9.6
168.01476	0.4
185.02228	2.2
207.75377	0.4
224.10204	0.3
255.23279	100.0
256.23633	7.8
259.75845	0.3
273.04395	0.3
298.16684	0.4
338.21719	0.4
423.25140	22.0
424.25571	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18126	0.3
62.26719	0.3
67.45958	0.3
70.74983	0.7
73.69320	0.3
78.95904	14.6
104.97480	0.6
105.47745	0.3
110.98534	10.2
137.00012	0.3
152.99532	0.5
167.01151	11.0
185.02150	2.6
255.23280	100.0
256.23627	7.1
423.25165	23.8
424.25540	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.0
57.03447	100.0
58.03802	0.8
59.01378	91.5
60.01715	1.2
61.98816	4.8
66.89430	1.0
71.01376	32.1
71.53230	1.5
73.02947	10.3
79.95724	1.8
81.03454	2.1
83.01385	4.2
85.02949	17.8
85.06595	1.6
87.00858	1.3
89.02438	10.9
95.01373	2.5
97.02930	1.0
99.00883	3.6
99.04517	69.4
100.04872	2.0
101.02439	46.2
101.06092	1.7
102.02817	1.1
103.04028	4.1
113.02447	14.1
115.07681	1.2
117.09380	0.9
119.03508	3.6
119.05022	14.4
125.02441	38.7
125.20110	0.8
126.02808	1.0
129.01938	3.0
129.42838	0.8
131.07118	5.4
133.02968	1.9
135.04526	4.5
143.03506	5.0
147.03024	2.0
157.84195	0.9
159.03017	2.7
161.02460	12.4
161.04536	15.5
162.75101	0.8
163.04012	1.9
168.00577	1.0
169.46310	0.8
175.09732	2.2
177.09244	0.9
181.05046	3.0
191.01994	1.0
192.10591	1.0
193.82619	0.9
199.00697	8.5
205.08794	1.0
205.31885	1.0
215.00127	4.3
227.96391	0.9
242.99704	3.4
247.08191	1.2
249.11301	3.4
261.13342	5.1
265.09247	3.2
279.14462	62.0
280.14938	4.6
321.15549	18.3
322.15903	1.1
343.08322	1.7
361.18649	3.2
379.16080	2.8
423.03766	5.0
423.12808	1.2
423.18561	24.4
424.03745	1.0
424.08878	1.4
424.19046	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06855	1.5
52.26168	1.2
55.01853	3.1
57.03448	100.0
59.01379	94.1
61.98826	2.1
71.01379	23.8
71.02264	2.9
73.02951	10.1
74.41539	1.4
79.38481	1.4
83.01385	6.0
85.02944	22.4
89.02435	4.9
95.36079	1.5
97.02957	1.4
99.00874	2.5
99.04522	78.3
101.02445	43.5
102.55064	1.4
113.02430	11.2
119.05010	5.3
122.41572	1.5
125.02449	31.4
129.01953	4.2
135.04634	1.7
143.03484	3.6
147.02956	3.8
159.02864	1.6
161.02431	3.3
161.04565	10.2
165.01918	1.4
191.01938	5.2
199.00716	3.2
206.22687	1.4
215.00148	1.7
231.10277	1.5
237.84863	1.6
249.11179	1.8
261.13361	2.7
279.14481	50.4
280.14868	2.1
290.36551	1.3
321.15564	12.8
354.87888	1.5
361.18631	2.4
389.20868	1.5
423.03729	2.2
423.18484	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	423.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40521	0.8
55.01871	2.1
57.03449	100.0
59.01380	91.8
59.01633	1.0
61.98827	2.6
64.95386	0.8
69.03454	0.7
69.58037	1.2
69.58443	3.7
71.01381	32.4
72.99293	1.6
73.02950	11.3
79.95736	0.8
81.03442	1.5
83.01379	5.4
85.02947	17.4
87.00885	2.0
87.04501	1.0
88.30551	0.8
89.02450	3.6
95.01373	2.3
99.00882	5.5
99.04521	71.8
100.04827	1.2
101.02441	49.7
113.02451	15.3
115.07623	1.4
117.09193	1.5
119.05019	9.8
120.05430	1.0
120.99661	1.5
125.01530	1.8
125.02448	35.7
126.02798	1.1
129.01924	3.9
133.02953	1.1
135.04529	2.8
136.83473	0.8
143.03508	4.7
159.02992	3.6
161.02464	8.7
161.04543	19.8
163.03946	0.9
181.05083	1.9
199.00714	5.4
203.10783	0.9
215.00079	3.0
242.99622	1.8
261.13416	6.6
275.09232	2.5
279.14474	64.4
280.14825	4.0
321.15509	17.7
322.15775	1.7
361.18677	3.0
377.34241	0.8
423.03873	3.7
423.18631	12.8
424.19025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
58.00593	1.2
59.01380	61.3
61.98832	1.0
69.48727	1.8
69.49152	2.0
71.01378	17.2
72.99299	1.3
73.02948	2.2
74.02450	0.6
83.01391	1.7
85.02953	6.2
86.03293	0.7
87.00896	1.0
89.02442	17.9
95.01386	0.8
97.02974	0.6
99.04503	0.9
101.02438	11.4
103.03999	1.1
113.02451	7.0
119.03501	6.1
125.02477	1.1
129.29201	0.6
139.11302	2.9
143.04620	1.0
163.11295	0.9
173.06407	2.4
175.65233	0.6
176.30083	0.6
179.05746	0.7
181.12358	2.3
183.10245	1.9
199.13397	1.5
201.11340	2.4
209.77103	0.5
225.11317	2.1
233.37033	0.6
243.12366	17.9
244.12700	0.7
261.13489	3.0
306.07565	1.5
307.07913	1.2
319.98032	0.7
363.16602	4.9
405.17560	2.1
423.18707	100.0
424.19061	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	423.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.8
57.03448	50.8
59.01379	100.0
61.98812	2.0
71.01386	30.3
71.30832	2.9
73.02940	25.7
75.00884	2.3
77.15372	2.1
81.03427	6.7
83.01366	9.9
85.02950	41.2
87.04508	2.7
89.02438	19.4
95.01363	2.4
99.04513	34.5
101.02442	35.5
101.06102	2.4
103.04006	41.8
104.54784	1.8
113.02445	12.8
113.06091	12.8
115.04005	2.7
119.03502	4.4
120.99632	2.4
125.02440	15.1
139.11296	1.9
143.03447	3.6
145.05124	2.4
147.02933	3.3
147.33601	2.1
161.04529	8.4
165.05614	2.7
175.06090	5.3
183.10202	3.2
191.01924	2.6
199.13350	4.2
243.12370	29.9
247.08179	8.9
265.09271	39.1
266.09485	2.5
279.14514	10.7
306.19312	1.9
307.06915	3.4
307.10330	52.3
321.12057	3.9
321.15430	4.1
349.11664	2.1
398.61795	1.9
423.14380	55.2
423.19077	14.9
424.15454	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	423.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06515	1.1
53.73750	1.4
55.01867	2.4
57.03448	44.0
58.00590	2.3
59.01378	100.0
60.01708	1.3
61.48852	1.2
61.98824	14.9
70.87804	2.9
71.01006	2.6
71.01381	34.8
72.99310	2.4
73.02946	38.3
74.89452	1.4
79.95755	1.2
81.03455	10.0
83.01387	16.2
85.02950	46.6
87.00900	2.8
87.04505	2.4
87.17822	1.2
89.02438	18.8
95.01421	1.5
96.96013	1.9
97.02948	1.5
98.08537	1.3
99.03911	2.5
99.04511	25.0
100.04887	1.4
101.01794	2.7
101.02440	39.1
101.06090	1.7
102.02751	1.2
103.04007	57.2
105.01942	3.2
113.02437	12.9
113.06074	17.0
114.28179	1.4
115.04002	3.8
118.98059	2.2
119.03474	7.7
120.99664	4.3
123.04499	2.6
125.02422	12.0
125.06084	1.7
129.01915	2.6
129.35312	1.2
131.03539	2.0
135.04518	1.1
139.11292	2.9
143.03493	3.6
145.05055	2.7
147.02986	3.0
149.04561	1.3
150.03207	4.9
157.05026	1.9
161.04527	4.7
161.05898	1.5
165.05583	6.1
170.20880	1.2
175.06163	7.2
179.05684	1.2
181.12332	3.8
191.01959	4.8
195.06590	5.0
199.13371	2.3
243.12314	21.0
247.08183	9.1
265.09274	49.6
266.09518	1.6
279.14450	5.9
285.04520	1.6
307.10342	59.6
308.10840	1.8
321.11765	1.9
321.15286	2.1
346.57278	1.6
423.14185	50.1
423.19363	12.8
424.15161	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	44.9
58.00572	1.9
59.01381	100.0
59.23646	1.4
60.01717	2.0
61.98830	5.3
63.08294	1.4
67.53272	1.7
69.46132	5.1
69.46543	6.1
71.01386	38.0
73.02950	40.6
75.00873	2.7
75.34831	1.5
79.93874	1.6
81.03455	11.8
83.01378	16.2
85.02952	54.5
85.03471	3.0
87.00876	4.4
87.04487	2.1
89.02441	21.2
96.96031	2.0
98.19987	3.7
99.00883	2.4
99.04514	25.2
101.02447	47.2
103.04012	75.2
113.02463	15.2
113.06096	21.7
115.03990	5.3
119.03490	9.6
120.99640	1.6
123.04526	2.3
125.02451	12.6
129.01976	2.2
131.03545	2.5
132.23076	1.6
139.11281	2.9
143.03485	3.8
145.05089	3.1
150.03224	10.2
153.05522	1.6
161.04543	6.5
165.05560	12.2
175.06097	6.4
195.06630	11.9
197.11790	1.5
199.13402	4.2
226.61391	1.9
229.28677	1.5
243.12346	16.7
247.08255	14.1
262.71844	1.6
265.09277	64.7
266.09579	1.8
279.14447	7.5
307.10342	90.4
308.10593	3.8
309.00107	1.6
321.11823	2.4
321.15414	2.9
349.11270	3.3
423.14465	70.5
424.15463	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	423.1295
Annotation	3,4-Dihydro-1,2-secomicrominutinin-9-O-glucoside
Peak:m/z	Relative Intensity
58.53039	0.5
59.01376	22.1
61.47707	0.4
61.98838	2.8
63.21971	0.5
71.01385	1.9
71.24661	0.9
72.99287	0.6
73.07650	0.5
79.95715	0.8
85.02953	3.3
85.95000	0.5
89.02454	0.6
96.96004	2.5
101.02470	2.7
103.03999	0.8
119.05002	0.8
120.99598	0.7
123.04530	0.7
129.01953	8.7
141.62651	0.6
145.02969	2.1
146.03813	1.0
147.03008	7.8
147.08156	1.4
149.02481	0.6
157.06631	0.9
158.03706	1.9
158.73555	0.5
159.04558	3.6
161.02438	2.3
161.09660	0.6
171.08165	2.1
172.05322	0.9
173.02571	0.8
173.06076	29.7
174.06522	1.7
175.07658	4.8
181.06635	1.8
186.03290	0.6
186.06850	1.9
187.03989	7.2
187.07625	3.9
188.04845	3.1
189.05544	1.6
189.09171	2.0
199.00790	0.6
199.07645	14.9
201.05577	100.0
202.06175	8.3
203.10785	0.8
213.09184	0.8
215.07153	7.3
217.08698	11.1
218.08987	0.6
231.10268	2.1
241.08652	0.6
243.06630	3.4
261.07663	58.1
262.08023	4.4
275.09235	3.3
293.10434	1.5
303.08749	1.3
406.47388	0.6
423.12491	1.4
423.16983	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.06
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.6
58.00581	0.6
59.01376	11.7
60.06131	0.5
60.99313	0.6
61.98827	2.2
70.37682	1.2
70.38026	0.4
71.01387	5.5
72.99302	1.2
73.02950	0.8
74.02467	3.4
75.00890	0.8
75.17757	0.5
78.95908	0.6
79.95737	7.6
80.96523	0.9
83.01387	0.8
85.02937	2.4
87.00872	14.7
88.00407	1.1
88.04050	0.7
88.98791	4.3
89.02427	4.7
93.03453	1.2
95.01392	0.5
96.96006	1.6
96.96967	1.3
101.02442	4.1
103.04021	1.2
111.04535	0.6
112.98818	0.6
113.02454	1.4
113.06076	0.8
115.03979	0.5
116.03522	2.7
119.05019	72.0
120.05361	3.7
128.03548	0.6
135.04517	11.7
149.91321	0.5
155.03503	0.5
161.04601	0.5
163.03995	35.6
164.04361	2.1
171.23880	0.5
173.00905	0.7
175.01802	1.3
180.52663	0.5
181.05055	14.5
187.35948	0.5
199.00688	26.5
199.05072	0.7
200.01085	1.0
215.00177	16.0
216.00533	0.7
223.06291	0.6
242.99670	2.5
243.12320	0.8
261.00714	10.5
265.09247	1.0
266.09689	0.5
343.10281	4.3
344.10608	0.5
423.05988	100.0
423.15009	2.9
424.06342	8.6
424.14948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0391
Annotation	Mikanin 3-O-sulfate
Peak:m/z	Relative Intensity
57.03442	2.3
57.32383	0.5
59.01378	32.6
60.01721	0.6
61.98818	2.4
69.45492	4.5
71.01378	1.9
72.99310	2.0
79.95732	8.1
80.96537	0.8
85.02940	2.8
87.00864	0.6
89.02438	0.7
93.03432	0.7
96.95999	1.5
99.04527	2.2
101.02457	2.7
107.05038	1.0
112.08504	0.5
119.05025	100.0
120.05365	3.3
120.99649	0.9
122.56667	0.6
129.01926	4.5
133.02954	12.0
134.47414	0.6
135.04520	31.7
136.04900	1.0
147.02979	2.6
156.97874	0.5
160.26025	0.7
161.02435	85.5
162.02782	3.6
163.04012	9.4
164.47737	0.5
164.64017	0.6
173.06041	1.9
173.08096	0.7
179.03447	4.0
181.05066	20.3
181.06512	1.0
182.05423	1.4
187.07640	1.0
199.00691	58.6
199.07610	4.1
200.00993	1.7
201.03912	0.6
201.05533	3.8
202.06151	0.6
215.00198	31.3
216.00572	0.7
231.10228	1.7
242.99680	23.5
243.99910	0.7
258.99069	2.1
275.09335	3.3
279.14493	0.7
293.10239	0.8
343.08203	10.9
344.08484	0.9
423.03906	41.3
423.16977	1.1
423.25961	0.8
424.04166	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	422.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49816	0.6
59.01375	0.8
61.98829	100.0
67.78999	0.7
68.99571	0.7
71.53448	0.6
74.24550	0.6
77.12823	0.6
97.66286	0.6
163.11273	4.0
179.10773	0.8
199.37585	0.6
246.18680	2.4
367.31995	0.6
374.08429	0.7
422.30530	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	422.16
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.5
58.02967	6.0
59.01377	93.8
60.01710	5.0
61.98825	4.1
70.48456	3.7
71.01379	21.3
72.00881	1.7
72.99328	1.8
73.02937	7.9
73.13670	1.4
74.02480	16.9
74.03275	1.9
83.01354	1.8
85.02956	7.6
86.02478	5.7
86.99101	2.0
87.00874	1.9
87.05640	4.4
89.02436	16.6
90.00176	2.4
95.33562	1.4
97.04111	2.0
98.19964	1.6
99.00826	1.4
99.04543	1.4
99.05646	14.1
101.02441	10.2
101.07217	2.2
102.05604	2.2
103.04019	5.1
113.02439	7.6
119.03498	5.2
120.99667	2.3
123.05565	1.5
123.08160	2.3
124.04001	1.6
125.03477	1.4
128.03543	33.3
135.05629	4.5
139.11305	1.8
143.04611	51.4
145.06178	1.7
146.04623	4.2
149.02422	2.2
150.03214	4.7
153.06674	3.9
160.00702	14.1
161.04472	2.2
163.11253	1.4
165.05548	4.0
166.09866	2.9
167.04657	4.0
167.07086	5.6
168.07458	2.7
177.03340	4.5
179.04466	6.9
181.12325	2.8
187.09813	2.1
195.06595	1.5
197.05544	2.3
199.13354	1.8
201.11275	3.2
207.06578	3.4
210.08896	7.3
241.10730	3.3
242.07878	1.4
242.11153	6.5
243.12381	10.2
250.13548	1.7
254.07788	11.4
261.13373	1.9
265.09213	4.9
272.08820	17.7
288.06519	8.1
300.50107	1.4
306.07639	100.0
307.07504	2.9
331.11801	1.8
362.22119	1.7
363.16531	3.1
404.14850	4.6
422.17520	12.5
422.23685	10.1
423.18765	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
57.97566	1.7
59.01374	4.0
61.98830	2.4
69.03456	4.2
69.95353	1.1
71.01379	68.6
72.99285	2.9
73.02936	1.9
77.87116	1.1
81.03462	4.7
83.01389	4.7
84.02212	1.2
85.02948	18.7
95.01385	2.1
96.96018	1.6
97.02947	6.9
99.00893	5.3
101.02451	2.3
113.02448	25.4
125.02443	11.8
126.53211	1.1
130.44402	1.0
135.64365	1.1
143.03485	2.5
170.00987	3.5
185.02213	2.0
273.22290	1.4
277.21710	100.0
278.22021	7.7
291.23279	3.4
301.21625	3.0
315.96106	1.2
317.90283	1.2
329.21292	1.7
329.24899	1.2
333.98224	1.1
345.24451	2.9
373.23825	11.0
382.95880	2.1
384.95596	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48737	0.6
57.03438	2.8
58.00584	1.2
59.01377	50.3
61.98830	5.9
71.01376	8.1
72.99287	1.0
73.02939	1.1
82.46111	0.6
83.01372	0.8
85.02457	1.2
85.02952	17.8
87.00892	1.2
89.02451	7.0
96.96021	0.7
101.02454	6.6
103.04012	29.9
113.02446	4.0
116.05054	2.1
119.03477	2.3
120.99673	0.7
127.70071	0.6
128.05029	1.2
129.01941	8.8
129.05840	0.7
130.06601	4.4
133.01401	0.8
133.02980	1.4
134.03737	4.6
135.04546	1.7
142.06598	0.8
145.05058	0.9
146.06131	8.8
147.02994	2.2
148.05286	2.4
154.06596	2.6
156.04550	24.8
157.05009	2.2
158.06102	1.1
161.02414	1.1
170.06078	1.5
173.11862	0.9
174.05598	14.8
174.12119	1.3
188.07159	12.2
188.13629	1.1
198.05586	7.8
199.05690	0.8
216.06639	33.6
217.06926	1.7
218.08240	1.3
228.06644	0.8
231.10132	1.2
236.21933	0.7
244.50229	0.7
246.07814	0.9
247.08266	0.8
249.11195	0.9
263.08054	0.9
265.09268	20.0
275.08951	0.9
276.08807	3.7
280.61020	0.7
293.10303	2.7
363.21552	1.0
401.23236	0.7
404.13364	5.0
408.21414	0.6
422.14548	100.0
423.14893	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	421.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94735	0.7
55.01868	1.8
57.03452	1.9
59.01377	3.8
61.98819	2.2
65.26322	0.8
69.03447	4.5
69.76027	3.5
69.76430	1.8
71.01382	52.7
72.99297	2.1
73.02950	3.4
81.03456	2.3
83.01402	5.1
85.02950	17.5
88.54707	0.9
90.89925	0.8
95.01393	2.4
97.02948	7.6
98.20608	0.9
99.00868	4.3
101.02444	3.1
110.66271	0.9
113.02454	23.7
125.02449	11.2
143.03481	1.8
197.73302	0.9
277.21707	100.0
278.22095	6.7
291.23395	1.4
301.21732	1.8
345.24274	2.2
373.23785	12.0
374.24213	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	421.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82314	1.1
55.01895	2.6
57.03443	11.8
58.00591	1.9
58.99601	2.9
59.01377	100.0
61.98835	8.8
65.95313	1.0
68.86506	1.1
69.03465	1.6
69.27802	6.0
69.28222	3.5
71.01379	50.2
71.05029	3.4
72.99307	4.6
73.02941	10.8
73.47126	1.0
74.99095	1.5
75.00852	1.6
75.54948	1.2
79.95728	1.1
83.01386	3.9
83.05015	2.7
85.02946	24.2
85.06607	1.9
87.00864	9.8
89.02444	26.4
95.01399	1.7
95.05034	2.8
97.02927	1.3
97.06596	2.2
98.95687	1.0
99.00892	3.5
99.04500	9.7
99.92559	1.3
101.02441	29.9
102.98593	18.2
103.04025	12.5
109.02934	3.4
110.24114	1.0
111.04506	3.5
111.08108	1.4
112.73090	1.1
113.02457	17.5
115.04015	2.5
116.92857	5.5
119.03506	12.9
120.99639	1.1
125.02454	3.0
125.06075	18.5
127.04016	2.0
129.01962	2.7
129.05550	1.4
135.04553	2.1
143.03506	2.3
143.07144	1.8
143.10841	1.3
146.37074	1.4
147.03009	3.6
150.03253	1.6
155.03493	5.9
155.07144	2.6
155.10704	1.4
157.61714	1.2
161.04538	7.5
165.05518	2.2
167.03505	1.4
171.04875	2.1
173.08202	4.9
179.05605	3.8
179.10738	1.8
191.01926	2.1
197.11804	6.1
199.09775	2.4
199.13425	1.7
215.09082	1.3
215.12854	6.0
228.28268	1.4
241.10799	9.9
241.14531	3.0
249.06157	2.8
259.06180	1.2
265.09305	11.3
277.12595	1.4
283.04938	16.1
301.11331	1.4
319.13663	1.3
327.10135	1.2
333.11871	2.9
359.16965	2.7
361.14749	2.2
361.18747	4.9
363.12720	1.4
377.18127	47.7
378.18613	4.8
403.12360	2.3
403.19681	4.2
421.16666	25.8
421.20822	56.4
422.21335	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	421.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98722	1.0
56.02912	1.0
57.03442	3.1
58.67236	1.0
59.01380	55.6
60.35910	1.1
61.98829	6.4
69.49364	7.5
71.01378	12.6
72.65157	1.0
72.99312	2.0
73.02959	6.0
83.01398	2.8
83.05017	1.4
85.02947	10.2
87.00861	2.8
89.02438	9.1
93.03481	1.5
95.01402	1.3
96.96009	2.8
99.00901	1.2
101.02448	8.8
103.04006	7.4
108.02197	2.7
109.02934	6.4
111.08157	7.3
113.02444	4.6
119.03511	2.4
120.99652	4.2
121.02932	2.5
124.01652	6.8
125.02460	8.9
129.01956	2.2
129.05602	1.7
129.09233	4.5
135.00813	1.1
135.04486	2.3
136.99179	1.2
137.02448	26.6
138.03238	9.2
139.04013	14.4
144.57343	1.2
145.02966	1.7
147.02989	3.1
147.04541	1.3
150.03136	1.9
151.04013	10.8
152.04742	3.5
153.05537	2.2
155.07144	1.4
155.10809	2.6
159.04492	1.2
162.03227	2.8
163.04019	3.3
164.04770	2.1
165.05583	2.5
173.08151	10.3
173.11833	2.0
175.03979	2.5
176.04758	2.5
177.05583	7.5
179.03447	2.7
179.07005	1.3
180.04248	8.7
181.05054	11.0
184.03807	2.2
189.05487	1.9
191.07091	2.1
194.05817	8.0
195.06615	23.0
207.06607	5.2
208.07173	1.5
209.08148	5.2
209.11694	1.6
215.07101	3.8
243.27332	1.0
265.09265	17.7
271.98154	1.2
317.16141	1.7
335.17120	7.8
361.12970	11.2
375.14352	3.1
377.18106	21.1
378.18469	2.3
391.13968	12.1
406.16357	22.5
407.16617	2.6
421.11597	4.6
421.18604	100.0
421.28159	3.8
422.10587	1.3
422.18890	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91670	0.6
57.03451	4.6
59.01382	32.8
59.77570	0.6
61.98833	7.5
64.65104	0.6
68.22073	0.7
71.01385	8.2
72.99316	1.5
73.02951	2.9
75.00852	0.7
81.03463	0.9
83.01413	0.6
83.05040	4.3
85.02960	9.8
87.00875	1.5
89.02442	3.2
94.80817	0.6
99.04507	1.0
101.02455	6.3
103.04018	25.7
108.08164	1.1
109.06593	1.9
111.08165	67.4
112.08492	1.6
113.02451	3.1
119.03498	1.5
119.05059	1.3
120.99641	3.1
121.02905	0.6
125.02461	0.8
127.07659	1.0
129.01892	1.2
129.09239	4.2
133.02965	0.7
135.08151	0.9
147.03032	1.4
152.07217	1.0
153.09248	7.4
155.07175	1.2
155.10835	0.7
159.06541	0.8
161.04527	0.7
173.08189	97.5
174.08504	2.9
185.11819	1.4
187.09731	6.2
193.04800	0.7
197.08189	27.3
198.08556	1.9
199.13496	0.8
215.07281	1.2
215.09225	11.1
217.14455	1.2
217.38803	0.6
243.04204	0.7
245.10229	2.4
247.08328	1.0
265.09225	4.5
275.11395	7.5
313.08386	1.5
317.12201	0.9
335.13531	5.8
335.17139	1.1
345.10803	1.8
358.11359	0.7
361.18561	1.8
377.18066	2.2
403.15851	2.0
421.17068	100.0
422.17444	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81580	0.8
55.65280	0.7
57.03432	2.7
57.53637	0.7
59.01379	36.1
59.03456	0.8
63.79745	0.7
67.38279	0.8
69.33284	0.7
70.74859	0.8
71.01383	11.8
72.99326	0.9
73.02956	0.8
83.01422	1.6
85.02460	1.2
85.02951	14.6
87.00850	1.2
89.02452	17.4
90.44556	0.8
93.97251	0.8
99.00930	0.9
101.02437	11.0
102.04597	0.8
103.04011	31.1
111.08170	6.3
113.02465	4.6
119.03471	6.0
128.15848	0.8
129.09215	10.4
133.61024	0.8
136.85854	0.8
153.44354	0.8
155.07167	2.0
161.04532	1.0
173.08182	14.1
179.05580	1.7
190.18213	1.0
192.60490	0.8
254.08453	0.9
265.09268	100.0
266.09567	4.5
275.11432	1.1
335.13419	1.4
421.17047	22.3
422.17410	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18694	1.4
57.03440	4.9
59.01380	78.1
61.98822	3.1
69.03459	1.9
71.01380	34.0
71.05025	1.5
72.99303	2.7
73.02942	50.9
83.01393	3.7
83.05022	4.5
85.02946	18.3
87.00882	3.7
89.02444	82.8
95.01394	4.0
98.20762	3.0
101.02443	17.3
103.04008	29.5
103.04653	2.5
105.07095	3.4
111.04515	35.9
111.05238	3.0
113.02450	15.1
114.56303	1.9
119.03481	10.5
121.37350	1.6
123.08162	21.4
128.03574	3.1
131.00430	1.9
131.03542	1.9
135.62724	1.5
143.04623	5.2
155.03488	50.7
161.04613	1.9
167.07123	89.0
168.07504	4.8
169.66838	2.0
173.04555	8.8
173.08159	2.0
179.05647	6.0
179.10753	2.5
197.11877	10.0
198.12088	1.6
224.30734	1.8
229.23837	2.1
241.10805	68.3
242.11189	3.6
247.08202	13.1
265.09265	69.9
266.09634	2.0
306.07629	10.6
321.61938	1.5
328.21042	1.6
337.11432	29.3
338.11673	2.0
344.15012	1.6
347.13464	7.8
361.18851	1.9
403.12683	5.5
421.17279	100.0
422.17596	7.4
445.93994	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	421.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05042	1.1
54.36916	1.2
55.01884	1.9
57.03450	8.9
58.00596	1.9
59.01378	56.6
61.98833	10.8
64.00231	1.1
69.03452	1.1
70.67921	3.6
71.01379	29.7
72.99308	1.4
73.02952	19.1
83.01399	3.2
83.05025	9.0
85.02950	23.7
87.00867	2.9
89.02444	91.9
93.03442	1.1
95.01392	2.0
99.04534	5.0
101.02433	17.1
103.04012	49.5
105.07175	1.9
107.05025	2.5
111.04520	42.7
113.02448	13.0
115.04002	1.5
119.03506	7.7
123.08159	7.7
128.03519	2.3
129.05559	1.9
131.03506	3.9
143.03548	2.4
143.04604	2.8
155.03493	60.8
161.04532	1.7
167.07121	28.1
168.07468	1.6
173.04518	13.9
173.08171	7.7
173.72536	1.2
179.05609	1.6
179.10873	1.1
187.09668	2.2
197.11838	4.4
241.10815	27.2
247.08194	18.0
259.11942	1.5
265.09265	100.0
266.09610	5.0
266.79099	1.2
272.08765	1.3
273.72000	1.4
277.12854	1.7
306.07703	3.4
337.11368	44.1
338.11560	3.3
347.13446	2.7
403.12433	9.0
421.13037	15.7
421.17145	64.4
422.17535	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	421.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86544	1.1
57.03452	28.0
58.00577	1.1
58.02973	2.9
59.01380	42.9
61.98816	3.0
70.02985	9.0
71.01389	14.4
71.05013	10.6
71.30379	2.0
72.99281	1.2
73.02949	16.6
83.01375	2.5
85.02959	5.4
87.00871	1.9
87.05611	5.9
89.02451	9.1
91.68201	1.1
97.06557	1.4
99.04519	24.9
101.02435	18.5
102.98584	2.2
103.03991	2.3
111.04507	1.3
113.02442	8.2
113.06078	1.4
116.07190	2.3
119.03496	4.0
123.04524	6.8
123.08151	2.5
125.02458	9.4
125.06094	2.1
128.03568	1.7
129.05589	1.7
130.03320	9.5
131.03580	1.3
141.05487	1.1
143.04596	1.9
144.52168	1.1
146.08231	77.1
147.05963	3.9
147.08473	1.6
149.04573	2.2
161.04510	6.6
167.07152	7.4
179.05640	2.4
197.11725	2.6
215.12961	1.4
217.11946	16.8
241.10843	15.3
241.14346	1.1
259.15530	1.6
265.09326	2.2
277.12271	100.0
278.12518	4.4
291.04321	1.1
306.07693	3.1
319.13330	2.1
323.09839	1.9
377.18140	4.3
404.58621	1.1
421.16019	20.8
421.20905	12.6
422.17346	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	421.163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18433	4.7
57.03456	22.3
59.01377	80.3
61.98828	67.1
63.27885	5.3
71.01378	24.4
73.02950	8.9
85.02940	17.3
85.06593	5.2
89.02448	19.7
98.20699	7.4
99.04517	13.7
101.02444	18.1
102.98618	4.9
103.03983	5.4
113.02402	10.2
125.02431	9.4
135.04512	5.2
138.54507	4.1
156.13719	4.7
161.04611	4.7
165.05618	5.7
241.14528	6.7
265.09253	11.6
277.12848	6.7
283.05048	7.9
326.21365	5.1
405.79947	5.8
421.16321	100.0
421.20911	24.6
422.16611	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	421.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	22.8
59.01380	100.0
60.90786	2.2
61.98817	7.8
64.29597	2.8
70.55136	6.6
71.01379	20.6
73.02945	9.8
75.00867	6.7
85.02943	12.7
87.00863	4.9
89.02439	10.9
96.96022	4.1
99.04512	17.4
101.02438	17.3
103.03993	10.3
108.02177	3.4
111.08144	5.9
113.02391	6.1
119.03477	5.0
122.03677	2.3
123.04478	2.8
125.02441	5.1
128.03502	2.4
129.01915	5.2
135.04515	3.6
135.55991	2.4
147.02925	5.6
148.36253	2.4
149.02406	5.1
150.03232	13.0
152.01143	4.0
155.07028	2.7
161.04533	6.7
165.05560	17.4
167.03476	17.8
173.08142	5.4
179.05586	5.6
195.06590	9.7
199.07651	5.5
219.80695	2.4
225.04028	3.0
236.72701	2.6
265.09283	13.4
270.12222	2.6
277.12869	5.8
305.19583	3.4
315.08786	5.6
361.18369	5.5
363.10843	6.8
377.12015	2.9
403.16006	5.3
405.69955	2.6
421.10703	4.1
421.16144	63.4
422.16708	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49579	2.5
57.03444	33.9
57.48344	2.8
59.01380	100.0
59.29789	3.3
61.98831	75.4
67.04464	2.5
69.25468	21.7
71.01380	33.7
73.02934	14.0
74.13017	3.1
77.55009	2.6
84.83740	3.2
85.02956	24.2
85.06605	4.0
87.00879	5.6
89.02448	17.6
95.01366	3.6
95.05065	3.5
99.00859	4.6
99.04515	30.2
101.02448	29.3
103.03998	11.7
111.08105	3.2
113.02454	15.1
117.04101	3.0
119.03437	6.6
125.02427	11.3
125.06199	3.0
130.12231	2.9
147.02954	3.7
161.04478	6.7
171.13902	3.6
179.05580	4.5
191.02025	3.3
199.09712	3.4
201.79129	3.6
209.65353	2.9
215.12892	3.7
241.10867	3.8
241.14354	15.1
265.09274	12.0
277.12955	14.4
319.13800	3.6
421.16418	51.9
421.20847	66.3
422.16443	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	421.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49579	2.5
57.03444	33.9
57.48344	2.8
59.01380	100.0
59.29789	3.3
61.98831	75.4
67.04464	2.5
69.25468	21.7
71.01380	33.7
73.02934	14.0
74.13017	3.1
77.55009	2.6
84.83740	3.2
85.02956	24.2
85.06605	4.0
87.00879	5.6
89.02448	17.6
95.01366	3.6
95.05065	3.5
99.00859	4.6
99.04515	30.2
101.02448	29.3
103.03998	11.7
111.08105	3.2
113.02454	15.1
117.04101	3.0
119.03437	6.6
125.02427	11.3
125.06199	3.0
130.12231	2.9
147.02954	3.7
161.04478	6.7
171.13902	3.6
179.05580	4.5
191.02025	3.3
199.09712	3.4
201.79129	3.6
209.65353	2.9
215.12892	3.7
241.10867	3.8
241.14354	15.1
265.09274	12.0
277.12955	14.4
319.13800	3.6
421.16418	51.9
421.20847	66.3
422.16443	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	421.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	23.7
58.99579	3.8
59.01378	100.0
61.98827	13.3
64.79324	2.2
69.56876	14.1
71.01379	43.9
71.01740	4.7
72.99268	2.7
73.02940	15.9
73.18983	2.5
74.99088	3.1
75.00945	2.2
83.01381	3.3
85.02953	26.7
85.06568	2.8
85.82344	2.4
86.41669	2.5
87.00878	7.1
89.02453	26.3
92.54865	2.7
96.96024	2.5
97.06600	3.1
98.20026	5.8
99.00877	2.6
99.04530	18.8
101.02441	24.8
102.98608	18.4
103.04018	11.8
109.02967	2.8
111.04517	2.9
113.02426	17.1
113.06129	3.3
119.03501	11.3
123.08118	3.5
125.02457	6.5
125.06085	21.2
128.03548	2.5
135.04523	5.6
141.05609	2.2
143.04695	2.3
143.07063	2.9
147.03027	4.0
150.03261	3.5
155.03502	3.2
161.04523	6.8
165.05516	2.9
167.07118	4.7
167.96089	2.7
171.04759	2.4
173.08141	7.7
195.06563	3.3
197.11810	5.8
202.08907	2.5
215.12738	3.2
241.10828	15.6
241.14470	3.6
265.09283	12.9
277.12579	5.0
280.63382	2.4
283.04916	21.1
306.07675	2.8
333.11813	3.8
361.18768	3.8
377.18103	38.7
378.18448	2.8
403.11981	2.7
421.15973	52.2
421.20999	31.1
422.16583	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.7
59.01078	2.6
59.01380	52.6
61.98838	4.1
64.80128	1.7
69.59116	5.5
69.59528	4.8
70.55981	1.6
71.01004	2.9
71.01381	27.8
73.02949	30.8
83.05028	7.8
85.02948	22.2
89.02451	95.6
96.38152	1.8
101.02457	13.0
103.02979	1.9
103.04015	42.8
105.07104	3.1
111.04526	45.4
111.05241	3.8
113.02464	13.1
119.03512	7.5
123.08155	11.3
128.03543	2.1
131.03516	3.4
143.04590	2.0
155.03506	72.3
156.03836	2.7
157.04955	2.0
161.04538	2.2
167.07144	48.5
168.07468	1.9
173.04539	14.0
179.05583	2.4
184.89482	1.9
197.11813	6.6
241.10823	37.5
242.11281	2.6
247.08279	14.2
261.98410	1.7
265.09286	100.0
266.09561	3.9
306.07739	3.0
337.11411	46.4
338.11789	1.8
344.75778	2.1
347.13464	3.5
403.12332	10.8
421.13062	12.5
421.17590	57.1
422.17746	2.3
436.19131	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.7
59.01379	16.4
61.98829	100.0
66.03487	6.8
71.01392	3.4
73.02962	3.0
80.01775	0.7
83.01317	0.8
85.02962	5.5
87.00864	1.6
89.02421	1.6
96.96024	2.4
99.04538	1.0
101.02438	2.1
103.04018	8.6
110.02475	25.4
111.02842	1.0
113.02417	1.7
119.03484	0.7
124.04028	9.5
125.02531	0.9
135.04543	1.8
152.03537	13.6
165.89008	1.0
212.05746	1.5
215.99370	0.9
229.51350	0.9
247.08177	1.3
265.09360	1.7
358.11420	46.6
359.11893	3.1
361.19040	0.7
400.33835	0.9
421.15689	7.0
422.16562	1.1
432.28619	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03190	0.3
57.03447	2.4
59.01381	7.0
60.01723	0.3
61.98828	100.0
62.13795	0.3
70.02971	0.6
71.01379	2.5
72.69087	0.3
73.02951	1.2
83.01382	0.3
85.02944	1.8
87.00896	0.5
89.02446	1.6
96.96040	0.4
99.00863	0.6
99.04516	2.1
100.84660	0.2
101.02449	2.3
103.04021	0.5
113.02458	1.1
115.00323	0.2
119.03532	0.5
125.02461	0.9
125.67815	0.2
129.01974	0.6
147.02968	0.2
161.04597	0.6
172.32997	0.2
191.02002	0.3
215.12854	0.4
228.05499	0.4
229.05745	0.7
241.14471	0.9
244.08174	0.5
245.10719	0.2
257.10181	0.4
265.09375	0.4
267.07343	0.5
271.86398	0.3
277.13010	1.0
282.09763	0.8
300.10547	1.6
385.56366	0.3
388.08780	0.3
421.16599	1.2
421.21225	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	420.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.4
58.02976	6.8
59.01377	12.9
61.98817	5.2
70.02965	0.9
70.66574	0.8
70.66929	1.9
71.01382	5.4
72.00912	1.0
72.99346	0.8
73.02934	1.7
74.02467	13.6
75.02505	0.7
78.91880	0.8
82.02988	2.1
83.05016	2.3
84.04512	0.8
85.02965	4.7
86.02474	6.7
86.99115	1.3
87.00880	1.0
87.05635	3.6
89.02438	18.0
90.00171	1.3
96.96039	1.0
97.04074	1.0
99.04575	1.6
99.05642	15.1
101.02470	3.7
101.04314	0.9
101.07190	1.9
102.05612	2.1
103.04005	8.9
107.06174	1.0
109.02941	1.6
109.04085	1.8
109.07732	0.8
111.04512	8.1
111.05657	0.9
112.04055	1.8
113.02457	3.7
116.01763	1.4
119.03469	2.1
122.44431	0.9
123.05662	1.7
124.04001	1.1
125.02470	1.0
125.03524	1.8
127.05121	3.0
128.03535	36.4
129.03831	2.8
131.03491	1.5
135.05676	3.9
138.57730	0.8
141.06670	3.3
143.04617	52.0
144.04941	1.5
145.06166	2.6
146.04578	3.4
147.04880	0.8
153.06635	3.3
155.03520	12.1
155.08252	0.8
160.00752	12.6
166.09846	2.6
167.04626	3.9
167.06995	1.3
167.08244	2.8
173.04489	2.2
177.03343	5.3
179.04608	11.7
181.06232	1.4
185.05624	2.4
192.07730	1.3
197.05646	2.3
210.08833	7.7
241.10806	1.3
247.08202	3.0
247.11031	0.8
254.07823	12.6
265.09268	18.5
272.08890	20.6
273.09116	1.1
288.06583	6.7
306.07632	100.0
307.07819	6.0
337.11380	8.2
403.12384	2.3
420.14374	4.4
420.19461	1.7
421.13388	4.4
421.17462	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	419.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65969	1.2
55.01884	2.6
57.03447	5.8
58.00574	1.9
59.01381	100.0
60.01721	2.5
61.98825	4.1
65.74326	1.3
68.80167	1.4
71.01382	40.1
71.05021	8.1
71.54063	1.3
73.02946	16.6
78.95914	5.3
79.95728	1.6
83.01386	3.9
83.05035	1.8
85.02956	15.8
87.00893	3.4
89.02448	15.2
96.96014	20.7
96.96952	8.7
97.02963	1.8
99.00880	6.8
101.02438	18.6
103.04029	6.0
111.00952	1.5
111.04615	1.4
113.02436	10.4
113.06113	2.5
119.03537	5.2
125.02456	3.1
125.06092	3.6
127.07639	3.1
131.07143	3.1
132.04573	1.8
137.06126	2.3
138.06862	1.4
143.03473	1.8
143.07137	44.3
143.08199	2.7
147.03053	2.0
148.04085	3.4
150.05605	7.8
151.00388	1.4
151.07655	2.0
161.04596	5.6
167.77856	1.4
171.06664	7.0
173.08238	1.5
174.05608	1.8
179.05667	1.5
185.08315	1.9
197.11761	2.3
198.05573	8.8
201.11418	1.4
207.10312	2.2
209.11884	4.7
210.09309	2.9
212.10960	2.6
213.07748	1.8
215.13075	1.9
225.06740	1.9
225.10257	1.7
226.05220	4.7
227.06012	2.7
228.05400	16.4
237.06651	1.8
238.07355	3.1
239.12930	12.5
240.09021	2.6
241.07579	1.8
243.07718	14.5
253.09929	3.9
255.11290	9.4
256.09723	7.0
257.09451	4.7
265.06268	3.9
265.09384	7.6
266.06946	25.7
271.10986	4.2
275.11270	2.3
281.09305	62.6
282.09683	4.6
293.12424	14.5
298.06168	1.7
299.10373	41.5
299.13574	2.2
300.10751	2.3
301.08307	2.6
303.18201	5.2
313.11813	1.9
314.83856	1.6
319.17838	3.8
343.09271	9.3
347.17090	8.6
359.17267	5.0
375.12183	6.1
377.18073	20.5
378.18643	1.6
387.08252	11.3
419.11472	9.5
419.19434	93.7
420.19635	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	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.9
57.03451	8.1
58.00600	4.3
59.01379	100.0
60.01721	0.7
61.98835	4.3
62.22019	0.6
69.03455	7.2
69.17881	0.6
69.35293	5.0
71.01380	75.1
72.99311	3.4
73.02944	10.6
75.00869	0.7
81.03454	1.3
83.01399	3.6
84.04015	0.6
84.22801	0.6
85.02949	18.3
87.00874	4.1
87.04501	3.1
89.02445	89.7
90.02795	1.1
91.82633	0.6
93.03435	1.0
95.01391	4.1
95.05046	1.3
97.02946	2.1
97.06577	3.3
99.00890	1.7
99.04509	1.3
101.02443	41.6
102.67446	0.7
109.06588	1.9
111.04501	1.0
113.02452	29.7
113.23379	0.6
119.03501	40.3
121.06554	0.9
123.04535	2.2
123.08154	4.4
124.05311	5.7
125.02412	1.8
125.06087	0.8
131.03477	4.0
133.06613	1.3
133.10286	0.8
135.04553	0.7
136.05316	2.9
137.09775	1.0
139.07651	28.0
140.07968	0.9
143.03503	8.9
149.04521	3.2
149.09682	3.5
151.07645	20.4
151.11275	2.6
153.09157	2.0
159.10223	0.7
161.04550	12.8
161.09731	13.5
162.10056	1.3
163.07626	1.2
164.08524	3.0
165.09166	1.8
167.10771	1.0
169.08669	2.4
173.09660	1.5
175.07651	0.8
177.09229	1.7
179.05615	26.1
179.10770	52.0
180.05942	0.8
180.11189	2.9
191.10777	19.5
193.12331	1.4
197.11867	0.8
201.09203	1.0
203.10754	1.1
209.11810	8.4
211.13359	1.5
221.11826	5.3
227.12901	2.0
239.12878	28.9
240.13235	1.8
249.09883	1.0
257.13934	98.7
258.14236	5.3
310.17776	0.7
327.10709	1.0
340.54697	0.7
347.37390	0.7
359.13522	1.4
419.19284	28.5
420.19427	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.2
57.03446	6.8
58.00599	3.2
59.01379	100.0
60.01702	1.0
61.98525	1.1
61.98834	9.2
63.06722	0.7
66.55104	0.7
66.55496	0.6
69.03456	5.9
71.01383	71.1
71.53612	0.7
72.99306	3.7
73.02948	9.1
75.00878	1.1
78.00040	0.8
81.03458	1.8
83.01370	3.6
83.04998	0.8
85.02943	17.4
87.00874	5.0
87.04531	1.9
89.02446	80.5
90.02791	1.1
95.01388	5.0
95.05032	1.1
95.74181	0.9
96.96011	0.8
97.02975	1.3
97.06596	5.3
99.00872	1.5
99.04548	1.7
101.02442	41.4
102.02787	0.7
107.05059	1.0
109.03000	0.8
109.06601	2.0
111.00904	1.3
113.02448	28.6
119.03506	39.9
120.99653	4.3
123.04554	1.1
123.08177	3.6
124.05304	5.3
125.02464	2.0
131.02654	0.8
131.03488	3.8
133.06622	1.8
133.10260	2.3
135.04593	1.1
136.05312	2.7
137.09711	1.4
139.07651	23.2
140.08044	1.1
143.03487	6.9
149.04535	3.4
149.09694	3.9
151.07634	14.5
151.11301	2.9
153.09227	1.9
159.49323	0.7
161.04544	14.2
161.09712	11.7
163.07637	1.8
164.08434	2.8
165.09253	1.8
167.07028	0.7
169.08717	1.9
173.09732	1.5
175.07610	1.0
177.09225	4.8
179.05608	23.4
179.10774	44.4
180.11171	1.7
191.10797	17.2
192.11081	0.8
193.12379	0.9
195.10286	1.4
197.08249	2.0
201.09224	1.0
203.10928	1.1
209.11768	8.9
211.13400	0.9
213.99438	0.7
221.08275	1.6
221.11778	4.6
222.12312	0.8
227.12932	1.9
239.09261	1.0
239.12877	22.8
240.03256	1.5
257.13934	76.1
258.14368	3.4
293.91769	0.7
303.18121	2.1
327.10965	1.7
359.13321	4.3
401.14536	1.7
419.19385	32.0
420.19632	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	419.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88013	0.7
59.01378	100.0
60.01706	0.7
61.98828	3.8
69.82208	0.6
71.01379	7.6
71.05157	1.4
73.02963	2.6
75.11761	0.7
80.91696	1.6
83.01421	0.7
85.02950	5.0
87.00887	2.5
89.02452	5.4
99.00905	0.7
101.02429	3.7
103.03990	0.8
113.02435	3.6
119.03493	1.5
125.02413	0.8
133.10217	3.9
137.09731	1.0
151.11345	0.7
154.23091	0.6
161.04634	1.9
175.06177	2.4
177.09175	6.9
179.05655	1.2
191.02013	1.2
195.10332	1.7
198.05658	1.9
209.74127	0.7
221.08276	2.2
226.05099	1.0
228.05319	3.3
239.09317	1.6
239.12956	2.2
243.07727	4.2
247.08212	0.9
256.09918	1.9
257.14111	1.6
265.09250	8.5
265.11426	0.7
266.07050	1.3
271.10822	1.1
281.09430	1.2
299.10324	8.9
299.13052	0.8
300.10815	0.9
343.09546	1.5
387.08453	0.9
401.14539	1.5
419.10931	0.9
419.19632	10.6
420.19702	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	419.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.8
58.00588	0.9
59.01379	21.8
59.59304	0.6
60.07661	0.6
61.98825	1.9
67.05507	0.8
70.45135	2.4
71.01065	0.8
71.01381	8.1
73.02943	4.4
76.50384	0.7
83.01384	1.3
83.05080	0.8
85.02451	1.3
85.02943	14.2
85.03419	0.6
87.00865	2.1
89.02441	6.5
98.20550	0.9
101.02432	7.8
103.04014	33.0
107.05047	1.0
107.08664	3.5
108.03239	0.7
109.05938	0.7
109.06600	12.4
113.02419	3.4
119.03470	2.8
127.07652	70.7
128.07999	2.8
141.09164	1.5
143.03490	1.2
149.06033	1.4
151.07654	9.6
153.05492	0.8
159.78214	0.9
167.07138	1.1
171.06622	48.5
172.06857	1.7
175.03943	1.0
195.06622	7.3
197.27040	0.7
213.05807	1.4
213.07625	6.3
243.08559	1.5
247.08180	1.2
253.09901	0.8
255.11319	1.2
257.11844	9.1
265.09286	23.7
266.06906	2.5
266.09604	0.9
273.09854	8.6
281.09299	6.0
282.09738	0.8
299.10349	3.2
333.11932	6.6
387.07965	0.9
389.15948	1.6
401.14261	2.3
419.15503	100.0
420.15820	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	419.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.4
59.01379	13.6
61.98830	6.2
71.01377	5.3
71.30396	1.1
73.02930	2.2
85.02975	3.3
87.00880	1.1
87.04523	0.8
89.02435	2.4
96.95974	1.0
99.04517	0.8
101.02434	2.8
103.04013	6.5
113.02457	1.5
117.43769	0.7
119.03485	1.0
127.07669	3.0
141.09242	0.9
143.07094	1.0
147.03201	1.0
148.91980	0.7
150.05641	1.1
151.07626	1.5
160.04044	0.8
161.04596	1.4
171.06630	8.7
179.05702	0.6
185.08197	2.2
195.06673	0.9
198.05569	4.4
199.06392	0.6
199.08638	0.9
210.09290	1.5
212.10689	0.6
213.07628	1.2
225.06685	1.2
225.10315	1.0
226.05139	3.5
227.05812	3.0
228.05400	5.5
228.10045	1.1
237.06677	2.3
238.07176	5.1
239.08199	2.0
241.07440	2.6
241.09673	0.7
243.07677	3.9
247.08162	1.1
253.09741	5.9
255.08919	2.0
255.11378	5.8
256.09683	5.8
263.08075	2.2
265.06161	4.4
265.09265	7.7
266.06946	30.0
267.07263	2.2
271.10849	1.3
279.07748	2.8
280.08881	0.7
281.09280	100.0
282.09760	5.9
298.05911	2.6
299.10349	15.3
300.10538	1.1
325.08313	2.8
335.85281	0.7
343.09335	4.8
359.16949	1.1
375.11737	0.9
387.08261	14.8
388.08807	1.9
419.10727	5.1
419.15613	14.8
420.15771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86032	1.1
59.01382	100.0
66.72065	1.2
69.41104	5.0
69.41509	2.8
75.47194	1.1
91.36713	1.1
113.55331	1.0
289.05188	2.1
314.68259	1.2
410.97845	1.4
417.21048	1.8
420.03818	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24218	0.7
57.03427	1.3
59.01378	14.2
61.98825	2.5
70.65826	0.8
70.66154	1.7
71.01384	6.4
73.02940	2.1
85.02940	1.8
87.00906	0.8
89.02455	4.3
90.91029	0.8
99.04494	1.0
101.02442	4.1
103.04024	1.3
105.04617	0.8
113.02468	2.1
119.03524	1.2
127.07641	0.8
143.07126	4.3
147.03206	1.2
148.04010	1.1
149.06096	0.7
150.05612	1.0
151.07683	1.0
159.42586	0.7
160.04080	1.0
161.04587	0.7
163.07657	1.4
173.08192	0.8
182.06174	1.1
183.06851	3.2
191.10701	2.1
198.05591	25.1
199.06183	3.0
210.09268	5.9
211.09929	0.9
212.10799	2.5
213.03036	5.2
213.08023	1.1
219.00731	0.9
225.06674	1.4
226.05086	12.0
227.05968	9.3
227.09378	1.0
228.05367	52.9
228.10277	3.2
229.05722	3.1
237.06602	1.7
237.10016	0.8
238.07404	3.6
238.09009	2.0
239.07913	0.9
239.12923	7.0
240.06598	2.0
240.08986	1.7
241.07381	2.6
241.51009	0.8
242.07022	1.2
243.07712	39.6
244.08086	3.3
253.09802	10.6
255.09071	5.9
255.11232	4.6
256.09756	18.7
257.09769	2.7
265.06168	4.6
265.08914	1.3
266.06955	22.2
266.09116	0.6
267.07294	1.6
271.10849	9.1
275.11478	1.2
281.06265	1.7
281.09311	24.8
282.09991	1.3
293.12424	1.5
298.06046	1.5
299.10358	100.0
300.10675	8.0
343.09320	16.2
343.13458	1.1
344.09598	1.8
347.16843	1.1
377.17944	1.5
387.08289	12.5
388.08673	1.1
419.10834	6.5
419.19354	17.6
420.19534	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	417.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56284	1.2
59.01375	19.7
61.98830	2.8
70.02650	5.6
70.96718	1.5
71.01384	23.3
73.02958	2.1
75.00873	3.8
75.89205	1.2
76.81637	1.4
83.01391	1.4
85.02956	5.3
85.73812	1.3
89.02458	5.5
95.01390	2.2
95.94122	1.4
101.02444	6.9
113.02451	10.6
144.49014	1.2
148.50204	1.5
160.93166	1.2
161.04594	1.9
167.42949	1.3
182.26457	1.5
205.07469	1.6
234.82787	1.4
239.23883	2.8
243.25174	1.4
255.23289	100.0
256.23648	6.2
267.23169	2.8
269.24847	59.1
270.25253	3.6
279.23239	4.9
281.24982	1.7
297.24350	14.3
309.24387	6.1
313.23846	3.0
327.25241	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81842	1.2
55.86341	1.4
56.58915	1.4
57.03459	1.7
59.01377	20.1
61.98804	3.6
64.99890	1.1
69.92789	5.6
71.01383	22.8
71.37878	1.2
72.99309	1.3
73.02953	3.1
75.00883	2.5
85.02940	5.4
89.02433	6.4
98.19959	1.4
101.02431	8.3
113.02458	11.1
161.04617	1.3
162.52483	1.2
239.23679	1.7
255.23264	100.0
256.23615	5.1
265.25195	1.5
267.23178	4.7
269.24841	67.2
270.25104	4.3
279.23270	3.8
297.24365	15.8
309.24194	4.1
313.23770	4.0
327.25262	2.5
376.57938	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
56.39692	0.3
57.03443	1.0
58.00603	1.2
59.01380	53.9
60.01711	0.6
60.23861	0.3
61.98818	0.4
66.01501	0.3
68.89742	0.3
69.03452	0.6
71.01381	24.1
72.22852	0.3
72.31551	0.4
72.99319	1.6
73.02946	23.7
75.00864	0.4
81.03466	0.4
83.01385	5.5
85.02952	7.4
87.00874	2.7
89.02446	11.6
95.01411	1.8
97.02974	0.6
99.00902	1.1
101.02445	20.4
111.00901	0.4
113.02451	8.9
119.03495	3.4
121.02975	0.9
125.02454	0.9
125.37511	0.3
129.01935	0.6
131.03531	0.7
133.84012	0.3
143.03502	0.7
149.04611	0.4
155.03487	0.6
161.04547	1.2
183.13908	1.1
195.13899	14.3
196.14186	0.6
208.16927	0.3
209.15445	0.5
213.14951	6.0
357.19193	11.2
358.19525	1.4
375.20212	24.3
376.20514	2.2
399.20129	0.4
417.21271	100.0
418.21600	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	417.1763
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
55.01875	1.5
57.03451	4.5
58.00599	2.3
59.01377	60.1
60.01722	1.0
61.98829	9.8
69.82153	3.1
71.01378	30.3
72.37247	0.6
72.99300	3.5
73.02936	4.1
75.00883	0.8
78.91882	1.7
83.01382	3.0
85.02946	18.8
86.03311	0.8
87.00872	3.1
89.02442	24.4
95.01389	2.9
96.95991	0.8
97.02959	1.9
99.00876	1.3
101.02435	19.0
109.02962	4.7
111.00867	1.1
111.04517	1.3
113.02451	11.7
119.03497	8.8
120.99587	1.0
123.00915	1.1
123.08110	0.8
124.04053	0.9
125.02464	2.8
129.01917	1.5
131.03508	0.7
135.04539	0.8
137.02350	0.9
137.06068	1.1
137.09724	2.1
138.03195	0.8
139.04039	1.5
143.03481	1.4
147.03003	1.4
149.99542	0.7
151.07584	0.8
153.05548	0.9
161.04529	3.0
165.09232	2.8
167.03418	0.9
168.00629	1.7
175.11308	0.9
177.09264	1.0
179.05595	2.1
181.12422	1.1
191.02003	3.2
195.08629	0.7
201.07590	0.7
201.09180	3.4
207.10254	35.5
208.10652	1.7
209.03014	1.5
211.03470	0.9
211.13396	3.7
219.10246	4.9
237.11320	4.0
300.08316	0.8
301.16473	1.0
331.06635	0.7
369.15463	1.9
398.09653	0.7
399.16431	4.0
417.11194	3.0
417.17630	100.0
418.13062	1.2
418.18124	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	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13601	0.7
55.01871	1.6
57.03440	1.8
58.00598	1.2
59.01377	100.0
60.24929	0.6
61.98826	9.7
70.54131	0.6
71.01379	32.3
71.25137	1.1
71.25481	1.0
72.99314	1.9
73.02948	4.5
75.00900	0.8
83.01396	1.7
83.43022	0.7
85.02950	9.4
87.00875	1.1
87.55919	0.6
89.02441	30.1
95.01394	2.3
99.00898	1.6
101.02438	18.9
102.02776	0.9
113.02447	13.4
113.03170	1.1
119.03497	13.5
125.02436	1.3
131.03511	1.2
133.06557	0.7
143.03494	4.2
149.04601	1.5
159.03012	1.8
161.04558	25.3
162.04910	0.9
177.09181	4.5
179.05611	8.8
195.10310	3.0
213.11389	1.3
245.92905	0.7
255.12512	1.1
353.72458	0.8
357.15515	31.9
357.19922	1.7
358.16028	2.8
417.12402	1.2
417.17554	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	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76975	0.7
56.84047	0.7
57.03440	1.4
57.66329	0.7
59.01378	100.0
60.01705	1.3
61.93259	0.7
61.98831	13.1
69.64360	4.7
71.01382	12.4
72.99320	0.9
73.02955	1.7
83.01410	1.3
85.02953	7.2
87.00915	1.0
89.02448	9.8
95.01411	1.1
96.96042	1.2
99.00880	1.2
101.02438	8.4
103.03985	0.9
113.02436	5.2
119.03503	4.3
120.99695	1.1
123.08138	0.8
125.06072	0.9
143.03497	1.7
151.11285	5.1
159.03008	0.9
161.04567	8.3
175.11290	1.0
177.09254	1.2
179.05676	2.2
191.73703	0.9
195.10258	74.6
196.10658	4.3
265.09406	1.4
357.15524	33.4
358.15942	2.5
417.05164	0.8
417.12692	1.8
417.17493	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	417.1554
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
52.44742	0.5
53.52420	0.5
57.03440	0.6
59.01381	12.2
60.22490	0.5
61.98825	1.5
69.03469	0.8
71.01391	5.4
71.54005	0.6
72.99345	0.6
73.02937	1.9
74.76565	0.5
75.00871	1.0
83.01422	0.6
85.02947	3.9
89.02441	6.2
93.03452	0.7
94.27966	0.6
95.01381	1.1
100.27946	0.5
101.02442	2.5
103.04021	1.0
106.04227	0.6
107.05034	13.6
108.02207	0.6
108.05315	0.7
109.02943	3.3
111.00908	0.8
112.98569	0.9
113.02457	1.8
119.03508	0.9
119.04961	0.7
120.99621	0.6
121.02962	1.8
123.00878	4.9
123.04518	0.7
125.02445	1.4
127.07730	0.7
137.02452	16.0
138.03142	0.7
139.04042	0.9
149.02449	2.0
149.06079	39.7
150.06374	1.7
151.00366	26.8
151.04025	2.0
152.01147	3.0
152.04803	3.3
159.04533	1.0
163.04022	0.9
165.01932	1.5
166.02713	66.2
167.03459	4.6
169.08763	1.2
175.04015	1.6
175.07721	0.6
177.01945	4.1
178.02795	0.8
179.03467	1.0
181.05067	100.0
182.05362	2.9
183.10291	0.8
184.03772	1.4
190.06403	1.1
191.03520	1.2
191.25951	0.6
192.04262	1.0
193.05075	1.6
195.03024	0.9
195.87685	0.6
205.05125	1.3
205.08710	2.1
207.06653	1.4
210.07024	0.8
227.03505	6.8
251.07721	1.2
255.02992	7.7
255.10263	52.8
256.03625	1.0
256.10602	3.7
284.03299	6.4
285.04010	1.9
301.07129	0.8
359.11386	2.5
371.15179	0.7
375.20520	0.8
387.10858	17.8
387.15588	1.1
388.11292	2.0
402.13190	12.1
403.13785	0.9
417.08264	7.8
417.15787	36.9
417.21240	1.4
418.09064	0.6
418.15933	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	417.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50489	0.4
57.03446	1.4
59.01381	100.0
60.01709	1.0
61.67266	0.4
61.98839	2.6
71.01392	3.8
71.53618	0.4
73.02959	1.3
75.00925	0.5
83.01414	0.4
85.02953	3.2
89.02429	1.9
96.96004	0.7
99.04521	0.6
101.02460	2.5
110.79667	0.4
113.02473	1.6
120.99678	0.9
121.02962	0.4
123.00877	4.4
125.02444	0.9
137.02484	1.1
138.03227	7.4
145.09814	0.4
148.05338	0.8
153.05579	8.5
153.06752	0.7
161.04546	2.6
167.01665	1.0
180.07970	2.2
181.08736	0.7
191.01860	0.5
195.10275	2.8
237.11362	0.4
265.09274	0.9
270.99643	0.4
301.16528	0.5
314.82986	0.5
357.15649	0.8
408.91089	0.4
417.12506	0.8
417.17468	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43239	0.8
55.01869	2.2
57.03447	16.8
57.13956	0.7
59.01366	1.6
67.01900	1.0
68.99818	0.9
69.31677	6.5
71.01384	6.4
72.99302	6.6
75.00852	2.2
83.01384	5.1
84.02141	1.1
85.02948	100.0
86.03271	1.8
87.00864	2.3
101.02442	1.7
111.00878	16.0
115.05521	0.8
121.02956	66.1
122.03301	2.2
129.01942	58.6
130.02290	1.0
131.05013	1.7
133.06619	6.2
135.04495	2.8
143.05006	1.0
145.01372	0.7
159.04454	1.4
161.06027	5.6
173.00883	13.7
189.05573	11.4
233.04573	1.0
251.05589	20.9
252.05682	1.1
263.52753	0.7
293.96719	0.8
295.04514	4.6
301.88364	0.8
330.93954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78612	0.5
55.01876	3.1
57.03448	13.6
59.01380	3.4
59.63230	0.4
61.98818	1.2
65.70556	0.5
67.01883	0.6
69.34529	3.7
69.35125	0.6
71.01380	5.3
71.46395	0.5
72.99323	3.0
73.02934	1.6
75.00878	1.3
83.01385	5.9
84.02168	1.4
85.02949	100.0
86.03281	1.6
87.00854	2.5
101.02444	1.5
103.54880	0.5
111.00886	12.4
112.01251	0.5
121.02955	51.2
122.03271	1.1
129.01941	26.3
131.05045	1.4
133.02939	0.9
133.06599	5.7
135.03549	0.6
135.04466	2.9
135.93961	0.5
152.29518	0.6
159.04588	1.0
161.06059	6.2
173.00893	9.5
189.05568	12.2
208.29817	0.5
233.04482	0.8
251.05598	14.3
252.06001	1.0
278.52600	0.6
295.04599	4.2
299.85950	0.5
417.25323	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
56.27268	1.4
57.03444	13.4
59.01381	41.0
61.98833	2.0
69.51542	8.5
71.01375	27.2
72.99306	4.4
73.02941	6.4
83.01383	7.2
85.02949	100.0
86.03320	1.8
87.00880	3.2
89.02450	8.1
93.03456	2.3
96.96010	5.4
97.37395	1.3
98.95565	2.7
99.00878	3.7
101.02445	16.8
103.03976	1.6
111.00882	13.5
113.02476	10.3
115.05592	1.5
117.03409	2.3
119.03516	3.6
120.99670	1.8
121.02959	43.7
125.02398	1.8
129.01955	23.8
131.05029	2.2
131.11491	1.2
133.06601	4.5
135.04536	3.6
137.02351	1.3
139.00371	1.2
161.02516	2.2
161.04559	12.3
161.06026	4.0
173.00928	7.8
189.05557	9.6
193.50603	1.4
197.40639	1.3
210.06789	3.0
211.07671	7.4
212.04741	5.5
213.05687	1.8
213.09100	2.1
220.06058	1.6
251.05577	14.3
255.06650	4.6
255.19574	1.6
295.04480	2.9
341.11404	6.9
375.20175	2.3
385.10114	1.5
417.12180	7.5
417.16882	1.9
417.21088	7.4
417.25055	8.4
418.12579	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04621	1.0
55.01875	5.3
57.03446	16.5
59.01372	1.6
70.72540	2.3
70.72906	1.0
71.01382	7.3
72.99307	9.0
73.02969	1.4
75.00859	2.4
75.56029	1.2
83.01389	7.0
84.02183	2.2
85.02949	100.0
86.03275	2.4
108.04185	1.1
111.00163	2.0
111.00882	21.2
121.02955	73.1
122.03300	3.0
129.01941	62.7
130.02191	2.1
133.06613	7.0
135.04518	3.3
145.01466	1.3
147.78889	1.0
159.04536	1.1
161.06006	5.4
173.00923	16.9
189.05557	12.0
251.05592	27.1
251.08031	2.2
295.04492	6.6
348.71796	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0826
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
57.03428	0.7
58.11753	0.5
59.01379	8.0
59.95193	0.5
61.98797	0.5
69.41879	0.8
69.42281	2.4
72.01683	0.4
73.02950	1.5
75.36811	0.5
83.01405	0.6
83.04979	0.5
85.02951	2.0
89.02460	2.4
93.47396	0.6
99.04519	0.8
99.80907	0.5
101.02428	1.6
103.04035	0.8
107.01394	0.6
112.79853	0.4
113.02417	1.4
119.03497	1.1
119.05017	0.8
123.39661	0.5
125.02488	0.5
125.06074	1.3
135.00868	0.8
143.03581	0.6
151.00375	1.6
152.03510	0.7
160.37003	0.5
163.00269	0.7
179.05473	0.7
183.04503	1.0
193.12329	1.3
211.04073	1.2
217.10921	0.5
227.03482	62.8
228.03867	3.5
229.04968	1.6
239.03491	0.6
255.02975	84.6
256.03543	11.5
257.04416	0.9
264.53622	0.5
265.09009	0.6
284.03250	80.0
285.03949	20.7
286.04456	1.3
327.05035	0.9
335.26315	0.5
417.08258	100.0
417.17465	2.7
418.08661	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	416.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02860	0.6
55.20047	0.8
57.03438	3.3
59.01379	20.3
61.98833	4.1
64.60824	0.6
69.44195	0.7
71.01385	9.3
72.99307	1.4
73.02945	2.8
75.00875	1.2
79.95742	0.7
83.01388	0.9
85.02955	6.3
87.00839	0.7
89.02438	6.4
96.95997	1.8
97.06561	0.9
98.19878	1.8
99.04504	1.4
100.00439	1.1
101.02425	4.2
103.04025	5.3
111.95448	0.6
113.02445	3.4
113.06097	1.8
119.03503	2.4
119.05016	3.4
120.99636	1.0
125.02410	0.8
125.09710	0.9
135.04495	0.9
137.06033	0.8
138.01891	0.9
163.04033	1.4
165.09108	1.7
167.06139	33.3
168.04462	2.0
168.06509	1.4
169.04094	1.1
169.08713	9.7
181.05170	0.9
181.07668	1.7
183.10220	3.5
193.07658	2.0
195.05623	4.9
197.07182	5.7
199.00740	1.6
209.07185	5.5
211.02866	0.9
211.05153	0.8
211.09718	1.4
215.00360	1.4
222.06714	8.9
224.08295	2.7
225.06651	3.2
236.08286	14.6
237.08658	1.1
248.08226	2.4
252.07675	3.5
254.09320	9.4
264.07736	17.6
266.09341	20.8
267.09808	1.5
268.07291	0.9
269.05627	1.1
280.07370	0.9
282.08795	5.8
284.10419	12.4
285.10843	1.6
294.08829	25.8
295.08994	2.9
301.16653	3.5
306.08914	0.9
308.06717	2.2
312.09872	8.8
313.10312	1.0
326.07791	7.5
327.08105	1.2
336.09891	1.0
338.07791	1.9
350.44254	0.8
356.08856	100.0
357.09137	8.7
380.08685	1.2
416.20132	1.0
416.22824	0.7
417.17426	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	415.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.6
61.98816	1.2
71.01373	0.6
72.99281	0.3
73.02970	0.3
79.95731	1.6
80.48124	0.3
85.02946	1.1
88.98824	0.2
89.02485	0.3
96.96008	78.5
98.20656	0.6
114.01273	0.3
129.01990	0.3
136.96439	0.3
141.98042	0.3
162.01369	0.3
191.02119	0.3
191.52698	0.3
199.84918	0.3
256.97052	0.2
270.96271	0.3
357.70996	0.3
382.88202	0.3
383.10638	0.3
411.58304	0.3
415.21567	100.0
416.21896	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43653	1.1
52.74127	1.1
55.01873	7.3
57.03453	6.8
58.00591	2.9
59.01380	91.3
60.01725	1.5
61.98825	3.0
69.03418	1.4
69.36834	3.9
69.37262	4.7
69.40966	0.9
71.01381	100.0
72.01711	1.5
72.99313	3.9
73.02950	27.1
75.00877	1.4
83.01390	12.4
85.02953	46.3
85.55766	1.1
86.03240	1.3
87.00871	5.5
89.02448	37.9
89.03006	2.0
95.01388	6.2
96.96011	1.4
97.02964	2.7
99.00880	11.4
101.02442	75.1
111.00861	2.7
113.02450	40.4
114.02737	1.2
115.00403	1.1
119.03482	12.8
124.01620	1.7
125.02457	8.0
127.41109	1.0
129.01950	2.1
130.21080	1.2
143.03529	5.1
143.04475	1.1
149.99571	4.0
159.03000	7.3
161.04547	54.2
168.00664	6.4
168.03017	3.3
179.05621	3.4
179.10518	1.1
191.01979	2.0
205.03517	1.4
209.11867	1.4
210.06841	2.8
211.07549	1.3
243.14726	1.1
295.10556	1.3
311.93848	1.1
341.19611	4.0
353.15286	2.3
353.19681	47.2
354.19907	4.5
371.20706	14.6
385.09113	1.1
385.18817	6.7
397.18707	3.8
401.84283	1.1
415.12433	10.8
415.19675	37.3
416.19922	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	415.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.8
61.98824	0.3
65.56364	0.1
71.01381	0.9
71.54870	0.1
72.99277	0.2
73.02943	0.2
85.02940	0.7
87.00871	0.1
89.00680	0.4
89.02448	0.6
93.03441	0.6
95.05042	0.3
96.95999	0.8
98.95605	0.3
101.02441	0.6
105.01950	0.3
113.02408	0.2
113.08672	0.1
117.03455	0.3
119.03491	0.1
123.04549	0.3
156.02467	0.1
161.04507	0.1
169.06564	0.3
179.05678	0.1
181.90750	0.1
182.07375	0.3
183.08080	0.6
183.13861	0.2
183.56866	0.1
193.06551	0.2
209.06064	0.7
210.06853	11.8
211.07626	100.0
212.07961	6.6
243.80823	0.1
243.93047	0.1
250.05763	0.1
327.21817	0.5
355.11847	0.8
373.12634	0.2
415.14694	0.2
415.22067	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	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16432	0.4
57.03445	1.0
59.01377	100.0
60.01709	0.8
61.52182	0.4
61.98824	0.8
71.01385	3.9
71.53801	0.6
71.54169	0.4
73.02964	1.3
75.95897	0.4
83.01412	0.4
85.02950	3.3
85.36298	0.4
89.02432	2.0
91.01894	1.1
93.03480	1.6
96.95991	0.5
99.00907	0.4
101.02457	2.6
109.02960	0.5
110.02499	0.8
111.00911	0.4
111.69292	0.5
113.02455	1.6
113.03770	0.4
119.03500	0.9
121.02982	1.4
134.63510	0.4
137.02495	1.2
147.03069	0.7
151.04008	15.1
151.07646	1.6
161.04565	1.0
167.07135	0.6
191.02060	1.0
235.13481	1.2
237.60449	0.5
329.09286	0.5
339.10223	0.4
415.15265	0.9
415.19885	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53257	0.9
55.01881	2.6
57.03449	17.1
59.01377	11.4
61.98822	4.2
68.99815	1.5
70.28037	3.8
71.01388	5.6
72.99319	1.5
75.00872	2.3
78.92361	0.9
83.01392	2.1
84.02179	2.4
85.02949	100.0
86.03259	2.5
87.00880	1.0
89.02435	1.3
101.02420	1.3
103.00370	1.6
106.23006	1.1
109.02914	2.4
111.00877	4.4
115.00349	1.3
115.36932	1.0
125.02355	1.1
129.01929	9.3
133.01390	1.4
134.03740	37.1
137.02422	2.3
146.15967	0.9
147.02965	11.7
149.02434	3.7
149.06082	12.5
152.47002	1.0
164.04820	1.7
173.00894	1.6
178.02724	10.1
179.03110	1.0
191.01970	30.4
191.05592	18.4
193.05048	58.7
194.05359	3.7
209.02997	27.2
223.06152	1.2
253.07216	1.2
352.56454	1.1
355.10147	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27604	0.6
57.03447	1.4
59.01380	24.8
64.72074	0.5
65.00304	0.6
71.01384	4.6
71.26674	0.8
73.02934	2.0
81.03462	4.4
83.01382	3.5
84.21158	0.6
85.02937	3.9
89.02456	1.9
93.03456	0.8
95.01362	0.8
95.05016	0.9
96.96005	0.7
97.02935	0.7
98.20084	0.7
101.02441	2.7
106.06625	1.1
113.02449	2.1
119.03542	0.6
121.02937	1.2
123.04523	34.8
124.04865	1.2
125.02428	5.7
135.04555	0.8
137.02461	1.4
139.04022	1.0
147.02939	0.9
149.02448	1.4
151.00377	1.5
151.03998	10.2
151.07553	0.8
161.04549	1.1
163.04024	1.6
165.90768	0.6
166.02748	0.7
167.03491	100.0
168.03845	3.7
175.00348	1.4
178.05106	1.2
179.00163	1.6
179.03491	0.6
181.05042	3.3
186.92848	0.6
191.01787	1.3
191.03500	25.7
192.03876	1.3
208.28558	0.6
209.04539	8.2
210.07709	2.6
221.04486	3.2
254.06764	1.6
296.07840	0.8
356.20963	0.7
371.09839	12.7
415.15909	1.0
416.22678	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83538	0.4
55.01872	3.0
55.62220	0.4
57.03448	11.7
59.01381	7.5
61.98824	2.1
68.40250	0.4
68.99814	0.7
70.26548	1.2
70.26905	0.6
71.01386	5.0
72.99303	1.9
73.02936	1.0
75.00862	2.9
83.01392	3.7
84.02163	2.7
85.02949	100.0
86.03279	2.0
87.00875	0.8
89.02433	0.9
94.36953	0.4
99.00892	0.7
101.02446	1.4
103.00383	1.2
103.04018	0.8
111.00880	4.6
115.00387	1.1
121.02881	0.7
122.35275	0.5
129.01938	8.3
133.01477	0.5
133.75198	0.5
145.01340	0.6
147.02991	12.7
149.02429	3.8
164.04808	2.2
166.59627	0.4
173.00876	1.6
187.23550	0.5
191.01968	34.9
192.02339	1.1
205.05136	0.5
209.03012	11.4
209.04941	0.8
223.06148	2.4
230.33347	0.5
352.13220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.6
55.24689	0.7
57.03452	11.5
59.01377	11.1
61.98822	1.8
69.77313	4.5
71.01377	10.2
72.77778	0.8
72.99297	2.9
75.00872	4.2
81.66709	0.8
83.01379	1.8
84.02162	2.5
85.02950	100.0
86.03272	1.6
87.00876	1.4
89.02425	3.4
101.02402	1.4
103.00369	2.0
111.00885	5.3
113.59894	0.8
115.00374	0.8
121.02873	0.9
123.01488	1.0
129.01958	6.7
133.01411	2.1
142.35344	0.8
146.03685	1.7
147.02998	11.0
149.02426	4.6
164.04773	3.9
165.05286	0.8
166.03247	1.9
173.00880	2.5
179.07092	3.2
191.01964	38.4
192.02321	1.3
209.03023	62.7
210.03351	1.1
223.06075	1.8
235.09604	1.4
351.64426	0.9
430.22882	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62069	0.6
55.01868	2.9
57.03448	13.7
59.01379	7.7
66.42594	0.7
68.99821	1.0
69.72417	0.7
69.86736	3.1
71.01373	3.2
72.99301	1.5
73.02959	0.7
75.00871	0.9
83.01376	3.9
84.02160	2.5
85.02950	100.0
85.92833	0.7
86.03290	1.9
87.00857	1.5
89.02455	1.2
91.99893	0.6
98.19866	0.8
99.00845	0.7
103.00365	1.3
111.00885	3.6
115.23222	0.6
129.01939	9.9
134.03748	0.7
147.02997	13.1
147.80595	0.6
149.02475	3.2
158.38176	0.6
164.04710	1.4
167.26987	0.7
173.00911	1.6
191.01976	29.2
192.02481	0.8
193.05064	1.3
194.45828	0.7
209.03015	9.9
223.06161	1.5
264.21832	0.6
415.08728	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19659	0.6
59.01381	100.0
60.01712	1.1
69.19635	0.6
69.19946	5.5
92.10307	0.5
92.81274	0.5
97.18786	0.6
133.94502	0.7
195.37949	0.6
217.55618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
57.03447	25.4
59.01110	1.3
59.01377	17.0
61.98829	100.0
63.37494	0.8
69.64593	4.7
71.01385	4.6
73.02953	0.9
73.77818	0.8
75.00861	1.8
80.52718	0.9
83.01372	2.1
84.02164	1.6
85.02947	64.9
87.00847	0.9
89.02417	1.9
93.03451	1.4
99.04520	17.2
101.02451	6.5
103.00351	0.9
111.00853	1.6
112.50599	0.8
113.02477	1.0
115.00360	1.4
125.02424	5.5
129.01947	6.1
134.03717	2.3
136.04047	8.9
147.03003	8.0
149.02441	1.6
191.01953	19.2
193.05040	2.9
207.08754	6.3
208.06140	1.2
209.02994	6.4
249.09746	1.9
289.12701	1.5
351.12982	11.0
352.13339	1.3
414.10596	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	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17926	0.3
59.01378	100.0
60.01726	0.8
61.98835	0.4
70.59168	1.0
85.64363	0.3
95.68603	0.3
98.19952	0.4
133.17651	0.3
155.68169	0.3
159.64565	0.3
187.04657	0.3
217.61044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72835	0.3
55.01873	1.0
57.03451	1.4
58.00603	0.4
59.01380	100.0
60.01715	0.9
60.77191	0.3
61.98834	1.0
69.54136	2.0
71.01382	11.0
72.99320	0.4
73.02955	3.5
75.00867	0.4
77.26396	0.3
80.96545	0.5
83.01398	1.5
85.02950	5.7
87.00887	0.8
89.02447	3.1
92.25091	0.3
95.01405	1.4
96.96028	1.7
98.20609	0.5
99.00895	1.3
99.04535	1.0
101.02443	9.2
113.02452	4.9
119.03535	1.1
120.99709	0.4
125.02509	0.3
143.03505	0.6
143.50014	0.3
147.11772	0.3
159.03008	0.4
161.02444	0.8
161.04561	4.9
166.05026	0.4
179.03497	3.9
194.05835	1.8
209.06192	0.6
209.08160	4.3
209.15524	1.2
218.07028	0.3
233.15430	0.5
251.09575	0.6
251.16559	0.8
260.78159	0.3
309.50629	0.3
353.19775	2.6
368.08234	0.3
371.20712	12.1
372.21133	1.1
413.14975	0.8
413.21542	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84750	0.4
55.01869	0.9
57.03446	1.0
59.01379	100.0
60.01719	0.8
71.01382	9.1
73.02941	3.1
83.01401	1.4
85.02947	5.2
89.02470	2.0
89.13346	0.4
95.01395	0.4
99.00890	0.8
99.70669	0.3
101.02438	7.4
101.47610	0.4
110.46682	0.4
113.02443	4.1
119.03518	0.5
143.03467	0.4
159.03015	0.8
161.04536	3.5
209.15552	1.6
229.90694	0.6
328.21042	0.4
353.19644	2.6
371.20734	11.6
372.21130	1.1
413.22357	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19263	0.4
57.03444	1.2
59.01380	33.9
61.98829	18.9
71.01387	3.7
73.02951	0.8
79.95735	1.3
83.05023	0.9
85.02942	2.6
89.02450	2.6
93.03404	0.5
96.96011	100.0
97.95908	0.4
99.04542	0.4
101.02445	2.1
111.08179	0.5
113.02443	1.5
113.06075	0.4
118.98119	0.4
119.03527	0.8
120.99638	0.6
121.02974	1.0
121.06567	0.4
125.02456	0.4
125.09707	0.6
129.01904	0.5
129.09178	0.7
137.09636	0.4
143.10791	0.4
145.55933	0.4
147.04491	0.4
149.06104	0.8
153.01936	0.6
161.04532	1.2
165.01929	0.9
165.05563	1.6
179.07079	0.7
183.95197	0.4
195.13922	4.1
207.02962	0.5
207.06569	0.6
211.16992	2.3
233.08160	1.3
235.06171	0.8
241.44781	0.4
250.08470	0.5
251.09166	1.2
251.16841	0.5
253.18051	1.3
255.15921	2.4
271.19168	4.0
273.17075	11.8
274.17270	0.8
289.14737	1.6
291.12683	2.3
293.10709	0.9
297.17026	0.8
315.18161	3.9
333.19177	24.2
334.19604	2.1
341.47842	0.4
351.14819	4.0
353.12717	4.0
377.18109	0.7
413.14859	84.1
414.15094	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	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03449	100.0
58.03780	1.8
59.01379	93.1
60.01710	1.6
61.98825	1.6
64.00128	1.1
71.01383	21.8
71.30391	1.8
73.02950	9.0
73.18908	0.8
78.42318	0.8
81.03473	1.5
83.01392	5.7
85.02950	12.7
87.00851	0.9
89.02435	3.8
89.37560	0.8
95.01375	1.6
96.95979	1.2
97.02959	0.8
99.00891	3.6
99.04517	82.2
100.04839	2.0
101.02440	37.0
103.04050	1.2
111.00900	1.6
113.02448	9.5
118.98227	0.8
119.03503	1.5
123.99755	1.0
125.02444	23.2
129.01950	1.2
142.97969	1.0
143.03471	3.2
152.99565	1.7
154.47115	0.8
156.48737	1.0
159.02971	2.6
161.04561	11.2
184.49281	0.9
189.09242	1.2
269.10300	23.0
270.10690	2.4
311.11295	3.1
353.16016	1.3
359.66055	1.0
371.17047	2.2
413.14056	5.9
414.14246	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.2
61.98830	100.0
62.17923	0.8
69.15049	1.8
69.15465	8.2
69.21356	0.9
82.57761	0.8
96.96011	2.4
108.11047	0.8
114.08638	0.8
121.31389	1.0
126.58037	0.8
151.68224	0.9
241.04399	0.7
270.08987	0.9
280.13083	0.9
312.23611	0.8
412.18445	1.2
413.19833	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	413.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
59.01381	34.6
60.01721	0.7
61.98829	10.9
71.01381	1.6
71.53606	0.9
73.02947	0.6
73.93940	0.5
74.99081	0.7
85.02940	3.2
89.02462	1.1
95.58233	0.5
96.96025	1.3
99.04534	0.9
101.02454	1.5
104.02695	4.7
109.02972	0.8
113.02444	0.6
118.98109	1.0
119.03457	0.8
119.05053	0.7
120.99672	0.8
121.02958	0.9
129.01929	0.6
133.02930	0.6
134.03761	0.6
135.04526	0.5
139.93645	0.6
147.03040	0.6
148.01660	7.0
149.06126	0.9
151.53662	0.5
161.02457	0.9
161.04572	0.7
163.03995	0.6
163.07686	1.0
164.08430	1.6
165.01930	0.7
165.05505	0.5
176.01144	68.7
177.01483	3.1
179.07141	1.7
189.01855	0.7
189.05545	1.1
191.03500	100.0
192.03836	4.0
193.05153	0.8
208.07452	3.3
209.08221	3.7
251.05579	1.6
311.69168	0.5
333.12085	0.8
406.95465	0.6
409.74197	0.5
413.14844	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76434	0.4
53.76705	0.3
59.01381	2.1
61.01816	0.4
61.98828	100.0
69.35351	2.7
71.01402	0.8
92.89926	0.3
95.01395	0.3
96.96051	0.4
97.15495	0.3
98.19939	0.8
100.03922	0.3
112.64455	0.3
151.43408	0.3
161.72034	0.3
163.19350	0.3
175.42500	0.3
176.01205	0.9
191.03525	1.2
208.07294	0.4
209.08194	0.6
257.66187	0.4
352.19333	0.4
382.66537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.57081	1.0
69.45006	6.5
69.86472	0.9
92.70715	1.0
166.61833	1.0
184.73985	1.0
413.95279	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41782	0.7
59.01381	100.0
69.23227	5.1
74.42279	0.6
98.19904	1.1
98.55672	0.6
103.40981	0.6
135.24240	0.7
153.12112	0.6
301.34729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42764	0.5
56.35355	0.5
57.03446	3.2
57.03693	0.6
59.01381	35.7
61.98830	100.0
71.01381	4.5
71.53973	0.6
73.02952	1.4
75.95525	0.6
85.02956	2.5
89.02468	0.8
96.96046	1.2
99.00858	0.6
99.04543	2.2
101.02465	4.4
105.42566	0.6
107.05035	7.1
113.02483	1.6
125.02451	1.0
132.30029	0.6
134.98364	0.7
144.83305	0.6
158.17392	0.5
161.04625	1.7
162.02359	0.7
229.52795	0.6
261.10852	0.6
263.14966	3.9
281.85480	0.6
305.16037	1.3
353.19791	0.8
371.20908	2.4
374.40317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2025
Annotation	AFP 07 (free acid)
Peak:m/z	Relative Intensity
55.01860	0.4
57.03446	1.1
58.00591	0.5
59.01382	15.2
61.98818	1.2
69.03451	0.5
69.33234	2.0
69.33654	1.3
71.01010	0.8
71.01380	8.4
72.99296	0.6
73.02954	2.0
78.95894	1.1
79.28799	0.4
82.32475	0.3
83.01392	1.5
84.23376	0.4
85.02953	3.0
87.00839	0.9
89.02441	5.7
90.15760	0.4
95.01401	0.8
96.95998	1.1
98.19866	0.7
99.00880	0.5
101.02446	7.1
113.02460	3.2
119.03526	1.9
120.99633	0.4
163.07652	0.4
183.16858	0.4
189.12813	1.4
230.60890	0.4
231.13899	15.7
232.14264	1.1
249.14944	30.3
250.15385	2.0
316.58200	0.5
411.20236	100.0
412.20590	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	411.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.0
57.03448	2.5
58.00583	1.8
59.01377	100.0
60.01702	1.1
61.98831	11.6
63.13556	1.1
71.01379	42.7
71.01779	2.4
71.53981	1.3
72.99296	1.6
73.02940	11.4
81.19014	1.1
83.01383	6.4
83.38627	1.0
85.02950	19.5
87.00868	2.7
89.02440	15.8
93.76711	0.9
95.01369	3.0
96.96001	3.8
97.02935	1.5
97.79249	1.1
99.00872	4.8
101.02441	37.9
101.03115	1.9
111.00867	1.3
113.02448	19.1
119.03521	8.4
119.05023	2.2
120.99641	2.2
122.97559	1.3
125.02444	1.8
129.01936	1.7
133.02933	1.1
143.03511	2.3
145.07718	1.1
149.04526	1.3
159.02969	3.9
159.04312	1.0
161.04541	18.8
163.04030	2.4
179.05621	1.9
185.03839	1.3
189.14909	4.0
191.03528	2.0
193.03223	2.4
206.02173	6.5
206.09381	1.6
207.02937	4.1
237.02252	1.6
249.13300	5.1
351.20197	86.6
352.20538	7.0
369.08249	3.2
375.16330	1.1
411.09018	11.4
411.18430	5.4
424.12927	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03431	1.2
58.00594	1.2
59.01379	100.0
60.01720	1.3
61.29697	0.5
61.98834	1.1
69.03444	0.8
69.40643	0.4
69.40954	3.6
71.01383	26.7
73.02946	30.8
81.03461	0.6
83.01392	8.0
85.02959	4.6
85.57629	0.5
89.02445	8.9
89.02946	0.8
95.01389	1.0
96.95991	0.7
97.02970	0.7
99.00890	1.2
101.02441	26.5
102.02845	0.5
113.02439	11.0
119.03487	3.2
121.06612	0.8
125.02486	1.1
131.03476	2.4
137.09712	9.1
137.10672	0.6
143.03531	2.1
149.04578	1.0
155.03543	0.7
161.04567	4.6
179.05673	0.8
184.34956	0.4
189.12895	1.1
190.70163	0.5
221.06604	0.5
310.47430	0.5
336.09692	0.7
411.20773	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	1.2
59.01382	100.0
60.01715	0.9
61.98842	3.5
67.22419	0.6
69.03463	1.1
69.14175	0.7
69.17464	2.5
69.17888	5.6
71.01383	24.3
72.99322	1.4
73.02946	24.3
74.03288	0.8
78.95924	0.9
80.09252	0.7
83.01390	7.8
85.02951	4.6
89.02451	9.1
94.28410	0.8
95.01389	1.2
96.96069	1.2
98.19920	1.6
98.20580	2.1
99.00857	1.0
101.02443	23.9
101.03110	1.2
113.02446	10.8
119.03519	2.8
121.06629	1.5
125.02479	1.4
131.03499	2.4
137.09715	8.1
138.85788	0.7
143.03613	1.4
149.04578	1.6
161.04575	3.7
189.12793	1.1
240.61873	0.7
297.36902	0.7
323.52484	0.8
411.20541	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	411.1295
Annotation	Dracunculifoside J
Peak:m/z	Relative Intensity
50.19859	0.7
57.03465	2.5
58.00625	0.8
59.01380	27.6
61.12753	0.5
61.98832	6.9
66.81791	0.6
69.49513	3.7
71.01384	12.9
72.99319	0.8
73.02959	1.1
73.27449	0.6
78.95887	0.7
85.02950	17.3
86.03423	0.6
87.00912	1.8
89.02440	13.1
89.02940	0.9
93.03474	0.9
96.96024	1.0
101.02442	9.9
103.04013	31.7
105.53201	0.7
113.02466	5.3
117.03471	9.5
119.03564	6.3
119.05024	24.2
121.02970	1.1
131.03568	0.7
132.05814	1.1
133.06593	6.0
143.03569	1.2
145.02953	47.6
146.03291	1.9
161.04688	0.9
161.06067	11.8
162.06424	0.8
163.04013	26.8
164.04430	1.3
177.05605	3.9
179.05632	0.9
187.03990	1.2
205.05049	10.3
206.05482	0.8
218.33327	0.7
235.06047	1.7
265.09296	100.0
266.09677	4.5
285.11700	0.7
307.08316	1.8
366.05164	0.7
393.11856	1.1
411.12933	72.8
412.13318	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	411.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.6
59.01380	25.4
60.01723	1.1
61.98832	10.6
71.01376	11.4
71.54637	0.9
72.99357	1.2
73.02976	1.4
75.10454	0.6
80.61354	0.8
83.01390	1.3
85.02953	17.7
89.02448	11.8
93.03520	1.1
95.01424	0.8
96.96026	1.6
99.04564	2.0
101.02440	8.8
103.04012	28.1
113.02441	6.5
113.03078	0.7
117.03477	7.8
119.03577	5.7
119.05027	21.9
132.05814	1.0
133.06596	5.7
134.03760	2.3
135.04536	1.1
138.91995	0.8
145.02953	44.6
146.03345	1.5
147.04517	0.9
149.06081	3.1
161.04683	1.4
161.06064	12.7
163.04005	25.6
164.04324	1.3
177.05557	4.9
179.05647	1.0
205.05029	9.0
235.06142	3.0
265.09299	100.0
266.09564	4.2
267.08633	1.2
287.11462	0.8
307.08411	1.0
309.09665	1.0
393.12164	1.1
411.12915	57.6
412.13168	5.3
421.26501	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1269
Annotation	t(6)a
Peak:m/z	Relative Intensity
50.38243	0.9
57.03440	2.7
58.02964	3.6
59.01375	12.3
61.98827	6.8
66.03501	1.2
71.01376	3.3
71.54152	1.6
72.00910	26.9
73.02940	2.2
74.02472	15.6
85.02943	1.6
89.02425	2.7
93.85506	0.9
96.96014	1.3
99.04517	2.1
100.00404	36.0
100.04021	2.7
101.02445	3.3
107.89855	0.9
113.02409	2.0
116.05089	1.0
118.05101	100.0
118.98071	1.4
119.03432	1.2
119.05459	1.7
131.03719	1.5
135.04503	6.6
142.06590	3.3
144.01892	1.9
144.03024	34.4
144.04503	4.1
146.06068	2.1
158.06093	8.6
160.02641	5.1
161.05968	1.2
163.27840	0.9
169.07642	1.5
170.06049	3.1
184.04083	1.4
185.04718	3.0
187.03969	1.6
188.07094	2.1
189.05583	1.4
190.04974	1.2
200.07147	1.1
202.04906	1.3
207.02956	1.1
211.08736	1.6
214.04935	1.8
237.02087	1.0
249.08932	1.2
250.07191	2.2
258.52808	1.0
267.65729	1.0
273.08752	5.2
291.09814	3.2
291.14594	1.2
303.09842	6.1
304.10233	1.1
321.10760	2.2
411.13748	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	411.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44144	0.6
57.03444	1.1
57.32833	0.6
58.53500	0.5
59.01378	5.5
60.99307	12.8
61.98814	1.7
69.45135	0.7
70.80775	1.2
71.01367	2.5
73.02937	1.2
75.00867	5.2
79.95734	1.8
80.96523	1.8
85.02935	1.6
87.00881	2.2
88.00391	1.1
88.98804	100.0
89.02441	35.4
89.99123	0.8
90.01953	1.6
93.65198	0.6
96.96008	56.4
99.04479	1.2
101.02443	2.9
113.02417	1.2
125.02451	8.7
135.04552	0.7
138.97084	6.1
150.03185	1.4
150.97032	1.0
161.04610	1.1
162.03049	0.7
164.98659	0.9
165.05585	1.5
169.01425	12.9
180.98122	0.7
195.06583	1.2
222.99173	1.3
229.62242	0.7
241.00229	36.5
242.00537	1.5
267.10483	0.8
303.10513	0.8
321.11700	0.8
327.10834	1.0
331.06741	1.6
411.02374	29.9
411.10229	1.2
411.14786	0.9
412.02704	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	411.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09584	1.1
57.03432	4.9
59.01375	12.2
60.99279	1.2
61.98822	7.5
66.57877	1.4
69.69577	3.4
69.69989	3.7
71.01379	7.0
73.02929	1.9
75.00874	34.2
79.95738	3.7
80.96516	3.8
85.02945	3.0
87.00881	1.6
88.98807	9.3
89.02436	3.0
96.96008	100.0
99.00850	2.1
99.04492	5.2
101.02459	6.7
113.02438	2.6
125.02442	16.0
138.97076	9.1
149.02428	4.8
150.03252	8.4
153.99515	1.2
161.04527	2.9
164.04750	3.4
165.05550	16.9
168.98114	1.4
169.01424	22.9
179.25273	1.2
187.03989	2.9
195.06601	6.2
222.99248	2.5
241.00220	65.3
242.00499	2.7
249.09874	1.9
259.57022	1.4
267.10934	3.2
309.11829	2.7
327.10986	6.0
331.06967	1.4
349.11423	3.2
411.02356	58.4
411.10147	7.2
411.14026	1.4
411.15259	2.3
412.02716	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
59.01378	4.4
61.22253	0.2
61.98836	1.7
68.19106	0.2
70.72264	0.7
71.01378	2.3
72.90667	0.2
73.02954	0.4
83.01380	0.4
85.02943	1.0
87.00874	3.4
89.02441	1.5
96.95981	0.3
101.02427	1.2
103.04075	0.2
113.01019	0.2
113.02468	0.8
119.03524	0.5
127.49397	0.3
131.03767	2.8
151.11324	0.3
161.03560	100.0
162.03925	3.0
163.03978	0.3
223.17024	0.6
231.04002	0.7
249.06152	5.4
249.11214	0.3
250.06544	0.3
267.15933	0.3
367.21060	0.3
411.10355	8.5
411.20554	1.8
412.10574	0.8
412.20255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.2
61.98830	100.0
63.56797	0.3
71.01379	3.3
73.02944	3.8
79.95734	0.4
83.01393	1.2
89.02467	1.3
98.20726	0.5
101.02442	3.6
112.77500	0.3
113.02463	1.6
119.03532	0.7
119.05067	0.4
120.05359	0.6
124.04008	0.3
127.79327	0.4
131.03506	0.7
143.03566	0.4
149.04668	0.7
161.04546	2.0
346.78418	0.4
347.24551	0.6
372.13095	0.5
422.59894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0236
Annotation	Turgorin
Peak:m/z	Relative Intensity
57.03427	0.7
57.39369	0.5
59.01380	2.3
60.99305	3.3
61.06744	0.4
66.57975	0.3
69.03454	0.5
69.47871	2.0
69.48273	0.7
71.01385	3.0
72.99310	0.6
73.02940	0.7
75.00886	1.9
79.95730	3.3
80.62799	0.4
80.96513	3.1
81.43263	0.3
83.01377	0.5
85.02937	1.2
87.00871	1.3
88.98801	24.6
89.02443	5.4
89.02948	0.5
96.96006	100.0
99.00869	0.6
101.02432	1.5
113.02442	1.6
122.97583	0.7
124.01632	0.4
125.02436	13.2
126.02815	0.4
126.97299	0.4
138.97064	10.0
149.02431	0.5
150.03165	0.6
150.97054	1.2
160.83342	0.4
161.04536	0.7
164.04828	0.5
164.98651	0.9
165.05553	1.9
167.03488	0.4
168.00679	0.5
168.98187	1.2
169.01416	23.2
170.01764	0.6
180.98111	1.2
190.67479	0.4
222.99162	2.1
223.15424	0.4
241.00218	64.1
242.00473	1.9
299.47687	0.4
331.06534	1.8
411.02344	50.8
412.02707	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	409.2595
Annotation	Betaenone F
Peak:m/z	Relative Intensity
59.01378	100.0
59.12495	0.2
60.01713	0.7
61.98824	0.4
69.20361	2.2
82.36446	0.2
85.02929	0.3
93.23961	0.2
114.64519	0.2
122.92068	0.2
130.22874	0.3
205.05020	0.3
265.58716	0.2
349.20166	0.2
409.26303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74544	0.3
59.01379	100.0
60.01720	0.8
61.98835	1.3
84.94504	0.3
96.95987	0.7
97.06750	0.4
98.19794	0.4
121.02992	0.8
141.51299	0.3
156.09447	0.3
194.90553	0.3
209.51572	0.3
327.96741	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2595
Annotation	Betaenone F
Peak:m/z	Relative Intensity
57.05288	0.3
59.01378	100.0
60.01719	0.9
61.98835	1.0
64.52252	0.3
80.91678	0.4
96.96019	0.4
98.19910	0.8
98.20616	0.9
107.06598	0.2
107.44006	0.3
110.56664	0.3
121.02988	0.3
123.54242	0.3
125.09810	0.3
136.57909	0.3
156.42862	0.2
245.48923	0.3
290.70532	0.3
409.18301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.236
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
50.36791	0.3
50.50374	0.3
51.88795	0.3
59.01363	1.0
61.98836	0.4
70.67288	0.9
78.95902	72.1
84.24715	0.3
87.39764	0.3
96.96967	5.7
123.50626	0.4
150.98010	1.5
152.99580	100.0
153.99892	1.3
163.11281	3.0
171.00630	2.5
223.37914	0.3
233.15457	1.9
249.53374	0.3
255.23299	1.9
409.23373	18.3
409.27609	1.8
410.23709	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	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
59.01380	100.0
60.01712	1.2
61.98837	4.7
69.70695	0.4
71.01389	2.8
71.54159	0.5
71.97878	0.4
73.02959	0.5
85.02959	1.7
87.00889	0.6
89.02419	0.8
90.98638	0.5
96.96021	0.7
99.04472	0.5
101.02474	1.7
106.77345	0.3
108.58714	0.4
113.02457	0.9
119.05032	3.2
120.99660	0.8
134.03749	0.5
135.04553	0.6
144.03113	0.5
160.05341	0.6
161.04585	0.9
163.07639	0.5
173.62434	0.4
201.55049	0.4
232.04015	0.5
247.06169	0.9
247.09882	1.1
289.07086	3.7
307.17749	1.6
349.18719	1.1
365.20020	0.4
388.70166	0.4
409.04459	1.1
409.11816	1.2
409.18866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07834	0.8
55.01880	0.9
57.03447	36.7
59.01377	100.0
59.39493	1.0
67.43160	0.8
69.27875	7.5
70.65733	0.8
71.01379	26.7
71.16283	0.9
72.99297	1.1
73.02932	5.2
83.01399	3.4
85.02942	10.8
87.00873	1.0
87.04536	1.3
87.86376	0.9
89.02442	23.8
95.01399	2.0
99.00869	2.5
99.04514	31.1
101.02444	26.8
113.02444	13.1
119.03500	8.8
125.02452	9.8
126.63528	1.0
143.03502	3.4
151.28818	1.0
161.04546	12.7
179.05588	2.9
181.91885	1.0
187.13310	3.4
208.02155	0.9
208.11639	1.0
265.12875	12.6
307.14020	4.5
349.18631	53.0
350.19101	4.9
409.16867	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	409.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
57.03448	90.4
59.01380	100.0
61.98822	2.6
64.38094	1.1
71.01385	22.3
71.12252	2.4
73.02959	7.8
73.75842	1.0
75.00880	2.7
81.03456	1.2
83.01406	2.8
85.02943	11.1
87.00876	1.6
88.07173	1.0
89.02446	8.1
95.01376	1.7
99.00909	2.7
99.04517	83.3
100.04857	2.2
101.02443	40.7
102.02834	1.2
103.03986	1.3
113.02456	10.3
119.03511	2.9
119.99773	1.1
125.02444	28.2
126.02766	1.5
126.71750	1.3
126.86033	1.0
131.00235	1.0
143.03464	4.0
144.47162	1.2
159.02943	2.3
161.04565	13.7
167.47615	1.2
172.06168	1.0
179.05687	1.1
218.59071	1.2
223.47694	1.1
225.94566	1.0
265.12933	34.0
266.13135	1.4
289.65897	1.1
307.13864	8.6
347.16885	2.1
349.18503	3.5
409.16809	15.5
410.04822	1.2
410.17099	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	409.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.5
57.03447	96.2
58.03782	2.4
59.01376	100.0
60.01710	1.8
61.98812	2.6
70.28571	3.3
71.01379	29.3
73.02950	11.3
78.57349	1.1
81.03468	1.3
83.01374	5.8
85.02952	15.7
87.00862	1.9
87.04499	1.5
89.02451	5.7
95.01376	2.9
99.00871	4.0
99.04520	73.6
100.04908	1.7
101.02443	45.7
101.03114	2.7
103.03983	3.0
113.02443	13.3
116.36749	1.1
119.03555	1.7
125.02446	37.5
129.01926	1.5
133.35100	1.1
139.49309	1.1
143.03473	4.5
145.04971	1.2
159.03009	2.8
161.04552	18.1
247.11887	4.4
251.92227	1.3
265.12897	57.1
266.13242	2.8
287.10196	1.4
307.14023	14.0
315.08737	2.2
347.17068	3.6
349.18509	2.2
409.11758	2.4
409.16824	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	409.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96722	1.4
54.55899	1.5
57.03448	97.5
59.01378	100.0
60.01719	1.4
61.98849	1.7
67.82764	1.6
69.59422	6.9
69.59834	2.6
71.01387	20.8
72.55153	1.5
73.02943	7.4
83.01379	4.7
85.02955	11.6
89.02452	5.6
92.08202	1.4
99.00891	2.9
99.04518	90.7
100.04887	2.1
101.02440	34.6
113.02428	10.1
125.02442	26.8
129.01897	1.8
143.03503	3.3
159.03072	1.6
161.04544	13.3
231.71982	1.4
236.18037	1.6
265.12924	33.0
297.02756	1.5
301.78455	1.5
307.13971	12.2
347.17084	2.5
349.18640	3.5
409.16855	14.1
410.32895	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	409.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20881	0.6
57.03447	29.1
58.00575	1.1
59.01378	62.1
60.01683	0.8
61.98814	2.1
69.80736	3.5
71.01379	19.5
72.99299	1.2
73.02942	17.3
79.05491	0.7
79.83605	0.6
83.01376	4.7
85.02946	27.5
85.06564	0.8
87.00890	2.2
87.19438	0.6
89.02441	11.7
95.01389	1.4
96.95990	0.9
97.06570	1.1
98.19960	0.7
99.00874	1.4
99.04514	21.7
101.02438	24.0
103.04008	43.7
113.02449	7.4
113.06054	1.1
117.05568	1.2
119.03471	4.5
119.04989	0.8
123.04520	3.0
125.02439	7.0
129.01892	0.9
131.03465	1.6
134.03616	0.8
141.05586	1.2
143.03491	1.9
145.05057	2.1
150.03212	0.7
160.03822	0.8
161.04587	5.9
162.97417	0.7
176.04630	1.6
179.05595	1.2
231.63884	0.7
247.08217	2.3
263.07663	0.7
265.09268	100.0
265.12628	4.7
266.09570	5.6
307.10333	50.9
307.13745	2.7
308.10602	3.0
323.09900	0.8
347.13446	10.2
348.14047	0.7
349.07819	0.8
349.18466	1.3
409.13239	19.3
409.20963	1.9
410.13882	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	409.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25159	2.4
55.01886	2.5
57.03447	55.2
59.01379	100.0
61.98818	8.7
68.81721	2.6
71.01392	17.7
71.53247	2.3
73.02957	9.1
75.00867	3.2
75.61182	2.4
83.01381	4.5
85.02955	17.3
85.03390	2.9
87.00884	6.2
88.98798	15.3
89.02438	15.2
96.96032	4.3
98.27142	2.6
99.04515	50.2
101.02450	32.9
103.04018	5.9
113.02454	9.8
121.02916	2.3
122.03787	2.8
125.02428	19.6
143.03510	3.0
149.02444	10.2
150.03223	46.9
161.04559	11.1
165.05566	68.8
172.06041	3.0
195.06624	26.4
213.07581	3.5
265.09283	9.6
265.12805	13.7
271.11932	3.3
295.10095	3.3
305.17834	2.4
307.10446	3.9
307.13931	5.7
337.66483	3.0
349.14984	5.1
349.18765	2.9
409.12625	42.2
409.16721	3.2
409.21152	5.4
410.13168	4.7
427.50217	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	408.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25293	0.6
57.03449	10.4
58.02977	1.4
59.01380	33.0
60.01708	0.8
61.98829	5.8
66.29000	0.9
71.01380	16.3
71.23714	1.5
72.99316	1.8
73.02945	1.4
75.00862	1.2
78.95908	0.9
83.01403	1.7
84.04549	2.5
85.02949	25.9
85.03471	1.3
86.02484	3.7
87.00877	2.6
88.04038	43.0
89.02445	14.7
95.01352	1.0
96.96009	25.4
96.96932	1.0
98.20165	0.9
98.95649	0.9
99.04521	7.7
100.04838	0.8
101.02440	13.1
103.04008	36.6
112.04041	13.3
113.02447	7.2
117.05563	0.9
119.03486	7.6
125.02432	2.2
127.82918	0.9
130.05095	37.3
131.05444	0.9
143.03523	1.0
145.05087	1.6
150.03281	1.5
160.06151	12.7
161.04561	2.2
165.05586	1.6
172.06131	4.8
179.05574	1.5
189.05551	2.1
237.88039	0.8
247.08199	8.2
265.09271	100.0
266.09589	5.2
378.14029	31.8
379.14426	2.9
408.15115	19.0
409.16016	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90261	0.6
57.03448	8.4
58.02971	1.2
59.01376	28.4
61.74704	0.7
61.98827	3.8
64.62996	0.7
68.35957	0.6
69.59875	2.5
69.60294	1.6
71.01379	14.3
72.05653	0.6
72.99298	1.2
73.02943	1.7
83.01410	1.1
84.04556	2.4
85.02945	21.1
86.02480	3.9
87.00852	1.7
88.04038	42.5
88.51395	0.6
89.02441	13.0
89.04374	0.8
96.96006	12.1
96.96957	1.0
98.06157	0.9
99.00887	0.8
99.04520	3.4
101.02435	10.6
103.04009	34.7
112.04044	11.8
113.02455	6.7
118.05056	0.9
119.03493	6.9
125.02450	1.7
130.05095	32.9
143.03394	0.7
145.05092	1.6
157.05020	0.6
160.06134	8.9
161.04517	1.4
165.05580	0.9
172.06143	4.3
179.05672	0.6
189.05565	0.9
205.46747	0.7
247.08188	9.2
265.09259	100.0
266.09622	5.1
378.14041	31.7
379.14371	1.9
408.15051	16.8
409.16376	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52776	0.3
59.01377	100.0
60.01717	0.8
61.02288	0.3
61.98833	1.3
69.17373	0.3
69.86161	1.6
70.61014	0.4
98.20014	0.6
99.41317	0.3
102.95544	0.3
180.74597	0.3
255.15547	0.3
259.04074	0.3
347.22406	0.4
348.99234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2439
Annotation	Leoheteronone C
Peak:m/z	Relative Intensity
59.01379	100.0
60.01714	1.2
61.98830	1.6
64.70883	0.3
69.16634	3.5
71.01360	0.6
80.23303	0.3
85.02937	0.5
86.90692	0.3
96.96033	0.6
110.15099	0.3
119.05045	0.7
141.71263	0.3
177.41563	0.3
193.38448	0.3
235.48087	0.4
343.63727	0.4
407.17682	0.7
407.24567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01718	1.1
61.98830	1.5
66.69119	0.4
69.15654	4.0
71.01406	0.5
73.63923	0.3
76.60349	0.4
78.17186	0.4
78.91861	0.4
92.36469	0.4
96.96033	0.5
98.20157	1.8
109.08897	0.4
119.05027	0.6
145.70993	0.5
173.34448	0.4
173.86107	0.4
184.25023	0.4
232.97627	0.5
242.65080	0.5
256.63809	0.4
283.17072	1.1
283.20789	0.5
285.18930	0.7
287.20129	2.3
289.21826	0.9
299.20169	5.6
300.20593	0.8
301.21716	2.1
317.21213	5.2
329.21210	2.9
347.22272	12.4
348.22736	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
57.03453	4.8
58.00588	1.3
59.01380	60.7
61.98817	0.9
69.03443	0.7
71.01380	23.3
71.30747	0.9
72.99287	0.9
73.02948	32.7
73.15289	0.6
75.00895	0.9
79.95729	0.8
83.01387	12.5
85.02950	35.1
87.00874	1.5
87.04489	1.5
89.02445	9.5
95.01379	0.8
99.00878	0.9
99.04527	1.4
101.02446	23.2
103.04013	58.8
104.04353	1.5
104.64333	0.6
113.02452	10.4
117.05604	1.8
117.99242	0.7
119.03517	3.6
119.05000	5.3
120.94697	0.6
129.01979	1.0
131.03481	2.0
135.04491	1.0
143.03519	0.9
145.02908	1.2
145.05046	2.9
149.04489	1.1
159.08968	1.0
159.10280	18.4
161.04539	2.7
162.11128	0.6
190.05057	0.8
199.00674	3.4
201.11333	0.9
215.00171	1.4
244.09732	0.7
245.10078	0.9
247.08211	7.5
265.09277	32.6
266.09628	1.6
307.10342	70.7
308.10614	3.9
359.69229	0.7
407.19208	100.0
408.19559	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.3
55.60803	0.6
55.87262	0.6
56.98041	0.6
57.03451	14.8
57.60518	0.5
58.00599	0.7
59.01381	100.0
60.01715	1.9
61.98831	2.9
66.74340	0.6
68.89137	0.5
69.03434	0.8
69.63740	2.6
71.01385	23.7
71.05029	1.0
72.99305	2.3
73.02951	10.0
74.99121	1.2
75.00871	0.6
77.19117	0.5
81.03394	0.5
82.02991	2.2
83.01388	5.5
83.05021	1.3
85.02951	15.5
86.00096	1.4
87.00877	4.7
89.02444	8.0
95.01405	1.4
96.96016	14.1
96.96619	1.1
97.02967	1.1
97.06595	1.7
98.20204	2.0
99.00879	3.6
99.04522	12.3
101.02444	25.7
103.04015	1.3
111.00904	1.0
113.02458	12.5
113.06113	0.9
115.04005	3.3
119.03498	3.6
122.06144	0.8
125.02443	5.4
125.06124	0.6
129.01942	2.7
129.09236	0.7
136.99129	0.6
143.03513	1.3
147.03012	4.3
159.03026	1.3
159.06618	1.3
159.10263	3.9
161.04570	7.1
164.03542	1.5
167.10716	0.8
179.05576	0.8
191.01985	1.1
202.08810	1.1
203.12880	0.7
216.05144	1.1
216.06886	0.6
217.02505	0.9
217.06197	2.0
229.06015	2.7
230.07014	1.3
231.07742	2.2
232.08376	1.2
241.06349	0.8
243.04176	3.8
244.04948	3.4
244.09734	3.3
245.09467	1.2
245.14098	0.6
248.09283	0.6
249.05249	0.5
256.04904	1.1
257.05804	3.5
258.06415	1.2
259.07236	10.1
259.10870	1.6
263.11407	4.0
265.09378	1.4
269.09354	1.0
271.07233	5.7
272.07867	0.9
285.08862	1.2
287.07373	1.1
287.10391	17.2
288.08459	0.9
291.09900	2.4
305.12445	1.2
307.10376	0.7
313.08295	19.8
314.08490	1.3
329.15970	3.0
331.09320	11.9
332.09659	1.1
345.10965	1.4
347.17136	4.2
355.83472	0.6
365.18170	5.2
375.08279	3.3
387.94009	0.6
389.10068	1.2
389.18384	3.7
407.11145	14.2
407.19220	85.3
408.11371	1.5
408.19543	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	407.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90720	1.5
59.01380	100.0
61.98823	1.9
71.01381	26.6
72.99277	2.4
73.02947	36.8
83.01395	11.3
85.02958	8.6
87.00838	1.8
89.02460	8.7
95.01434	1.4
96.96026	1.5
97.06601	1.4
98.19813	2.4
101.02442	29.9
103.04024	3.2
110.37057	1.5
113.02464	7.8
115.07661	4.2
119.03476	5.0
121.39496	1.6
141.05519	2.1
141.09207	4.4
150.03221	1.5
159.06659	6.6
159.10243	2.1
161.04524	5.0
169.80734	1.4
171.10300	8.4
183.54279	1.4
227.12921	1.9
229.38463	2.4
243.11418	1.7
245.13066	2.0
256.16776	1.5
265.09332	10.4
305.11237	2.2
305.15863	1.5
310.85760	1.4
321.15524	6.8
363.16617	44.9
364.17001	4.5
407.10754	1.8
407.19644	13.2
432.02222	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.2
59.01379	24.0
59.08062	1.0
61.98822	1.5
62.88827	0.8
66.63123	1.0
69.45700	6.1
71.01379	6.8
73.02969	2.1
81.03472	1.5
83.01350	0.9
83.04991	0.9
84.62273	0.9
85.02950	12.3
87.00925	1.5
89.02444	3.8
95.05006	6.9
97.06587	53.6
98.06879	1.0
101.02441	7.3
103.04012	26.0
113.02475	1.1
115.07646	16.8
119.03484	1.9
135.25136	1.0
139.07626	5.7
141.05594	2.2
144.44597	1.0
155.07146	2.4
159.06624	100.0
160.06960	3.5
173.08188	1.1
183.06625	22.7
201.07671	6.5
209.11807	0.9
231.08806	1.8
243.08684	0.9
261.09756	7.9
265.09271	13.6
321.11932	6.4
347.17230	1.0
363.16382	1.3
363.20493	1.1
389.14230	1.1
407.15549	94.1
407.21277	6.1
408.16040	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	407.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
57.03448	76.5
58.00570	1.4
59.01379	100.0
61.98837	5.9
69.73837	2.0
69.74265	4.2
71.01381	22.5
72.66630	1.0
72.99311	1.6
73.02945	10.2
74.48013	0.9
74.99098	1.0
81.03446	2.0
83.01381	4.9
83.05025	2.3
85.02953	12.7
87.00893	4.9
87.79024	1.1
89.02444	17.0
95.01359	1.6
96.95995	6.9
97.06612	1.2
97.34573	1.0
99.00891	1.7
99.04520	68.4
101.02446	34.6
103.04017	1.5
113.02455	12.2
113.06068	1.3
115.00372	3.2
115.07637	2.1
119.03493	8.0
123.04527	4.3
125.02456	22.5
125.05988	1.0
129.01923	1.4
131.03491	1.1
137.02461	1.6
138.99718	1.0
141.05597	1.7
143.03516	4.7
147.02989	3.0
149.04521	1.6
150.03224	1.7
156.85994	0.9
161.04570	10.6
175.02490	13.9
179.05608	4.2
191.01875	2.2
221.06717	1.1
245.08170	2.7
263.11310	7.6
265.09140	1.6
305.12408	4.0
347.17017	3.0
407.14984	10.4
407.19864	2.5
409.42725	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
57.03447	8.2
58.00575	1.3
59.01379	69.3
61.98840	1.7
65.99861	1.5
69.21820	11.0
71.01015	1.7
71.01382	26.9
71.59640	1.1
72.99342	1.7
73.02956	6.3
74.55823	1.3
79.95739	1.5
82.02968	10.2
83.01385	3.3
85.02947	12.0
87.00871	3.5
89.01945	1.5
89.02455	20.8
95.01376	1.9
96.96014	7.0
98.19914	2.4
99.00867	2.2
99.04505	8.1
101.02442	24.6
103.04018	2.2
113.02455	12.1
119.03520	10.5
125.02410	2.9
136.04008	1.4
136.13841	1.4
143.03505	3.0
152.01157	1.5
160.07657	2.2
161.04544	7.6
162.04335	2.0
162.05606	1.4
164.03572	7.2
167.03368	1.6
171.10217	1.4
174.05717	1.5
179.03491	1.5
179.05545	4.1
186.05573	1.6
188.07176	4.4
189.03076	2.0
200.07034	2.3
202.08780	3.1
204.05328	2.2
215.04570	2.8
215.08282	2.4
216.05147	3.5
216.06874	3.1
216.10391	2.3
217.02510	7.1
217.06065	8.2
218.06772	1.6
228.06644	2.5
229.06020	8.6
230.03416	3.6
230.06770	3.7
231.07748	12.3
232.08397	5.7
241.06081	4.8
242.03406	2.2
243.04094	21.0
243.07732	4.1
244.04848	18.1
244.09796	13.4
245.09274	6.4
248.09154	4.1
256.04831	5.4
257.05649	19.8
257.09265	2.7
258.06442	6.9
259.07184	48.6
259.10794	7.5
263.11249	1.9
269.09262	5.7
270.06497	1.9
271.07239	26.4
272.07684	2.2
275.06732	1.8
285.08722	5.4
287.10382	77.1
288.08167	7.4
291.09915	14.9
295.07159	1.7
303.06189	1.7
303.09631	1.9
313.08289	100.0
314.08606	8.9
317.07666	1.8
331.09341	59.2
331.13287	3.0
332.09653	6.5
335.08817	3.5
345.10934	9.2
347.17072	3.0
357.07352	3.3
375.08313	25.3
376.08493	2.7
389.09836	5.5
407.10889	78.0
407.23160	28.1
408.11185	10.0
408.23416	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	407.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
57.03448	29.6
59.01381	70.5
61.98828	2.4
65.99853	1.7
70.16223	4.6
71.01386	17.1
73.02961	6.1
82.02986	10.4
83.01388	2.7
85.02946	9.1
87.00867	2.9
88.33501	1.1
89.02451	9.8
95.01347	1.3
96.96010	36.0
98.20222	3.0
99.00830	1.2
99.03911	2.4
99.04515	29.1
101.02445	22.6
113.02464	6.6
113.53703	1.2
119.03501	4.1
125.02456	13.1
129.01968	6.4
138.08856	1.2
143.03519	2.0
147.02989	7.0
159.06668	1.3
160.07674	2.2
161.04564	8.6
162.04324	1.8
164.03505	5.8
167.93999	1.3
174.05565	2.1
179.05650	2.0
186.05646	2.1
188.07179	3.8
191.04601	2.5
194.04695	1.4
196.06079	1.8
200.07198	2.3
201.02925	1.6
202.08789	4.7
204.05229	2.5
215.04539	1.9
216.05403	6.3
216.06964	2.3
217.02614	6.5
217.06160	11.6
218.06927	3.5
228.06773	2.1
229.06039	10.3
230.03250	3.6
230.06873	3.9
231.07774	14.8
232.08485	4.0
241.06139	3.0
242.03186	2.2
243.04094	20.2
243.06631	1.8
243.07716	2.9
244.04897	15.6
244.09869	11.3
245.09258	8.1
248.09268	2.2
256.04898	6.4
257.05673	13.7
257.08539	1.4
257.09253	1.3
258.06366	6.5
259.07214	43.5
259.10809	7.4
260.07397	2.4
263.11310	11.5
269.09363	3.4
270.07031	1.6
271.07239	25.2
272.07678	2.9
285.05508	1.4
285.08771	3.9
287.10373	70.8
288.08655	5.5
288.10986	4.5
289.08176	1.4
291.09885	9.8
295.07074	2.0
303.06238	1.5
305.12381	3.0
313.08282	100.0
314.08502	7.0
317.07925	1.7
331.09335	52.3
331.13303	2.6
332.09552	3.6
335.08932	2.6
345.10815	8.3
346.11392	1.4
347.17029	3.0
355.41440	1.2
357.07419	1.4
375.08313	23.8
376.08563	1.9
389.09958	6.5
407.10928	69.2
407.18930	9.8
408.11398	7.4
422.91287	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61022	0.5
59.01377	1.4
59.96277	0.5
69.39801	0.5
69.83672	1.3
69.84086	1.3
79.95734	7.5
80.96542	0.6
97.77552	0.4
98.19926	0.8
107.05014	1.2
112.38819	0.5
117.03458	2.6
119.05025	100.0
120.05337	3.8
135.04524	20.2
136.04874	1.0
145.02954	14.9
163.04007	6.0
180.94826	0.5
181.05083	5.2
186.77322	0.5
191.87532	0.4
195.51909	0.4
199.00693	51.1
200.01057	2.2
215.00188	28.3
219.02406	0.5
242.99654	14.5
243.73032	0.5
248.05698	0.5
327.08704	0.6
407.04419	28.4
408.04675	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	405.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03438	1.3
58.00584	0.7
58.02971	1.6
59.01379	15.1
61.98819	1.1
69.25616	2.5
69.26020	0.8
71.01382	10.6
72.99294	0.9
73.02942	3.4
74.02472	3.3
74.99102	0.6
82.02950	0.7
83.01382	2.0
85.02948	6.0
86.00072	0.5
86.02474	1.4
87.00874	1.0
87.02836	0.4
87.05636	0.9
89.02444	4.3
95.01383	0.8
99.00871	1.6
99.04565	0.4
99.05627	2.4
100.05984	0.5
101.02440	10.2
101.07164	0.3
103.04034	1.8
109.04133	0.4
112.04048	0.4
113.02438	4.1
113.06078	1.2
114.05624	0.5
119.03493	1.8
120.99612	0.3
125.02444	0.5
127.05143	0.7
128.03542	7.4
129.03882	1.8
133.06940	0.4
135.05629	0.5
141.06647	0.7
143.04622	9.7
144.05009	2.3
146.04555	0.7
153.06668	0.5
156.06694	0.3
157.05077	1.6
159.02922	0.5
160.00723	1.6
161.01022	0.9
161.04572	1.6
166.09804	0.4
167.04565	0.9
167.10831	0.5
177.03331	0.7
179.04538	1.6
180.04892	1.0
197.15408	1.7
210.08766	1.5
211.09172	0.7
225.14935	1.1
226.15346	0.5
243.16013	3.5
254.07840	2.2
255.08095	1.2
265.09164	2.5
272.08871	3.8
273.09146	3.0
275.84052	0.4
288.06476	0.5
289.06799	0.9
306.07632	4.7
307.07944	8.9
308.07471	1.5
361.14395	0.4
405.21298	100.0
406.16373	2.3
406.21497	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	405.2127
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01848	0.7
57.03445	1.1
58.00591	0.6
59.01380	12.7
66.05553	0.4
69.03430	0.7
69.56831	2.7
71.01009	0.7
71.01382	9.2
72.99309	0.9
73.02945	4.6
78.57156	0.5
83.01384	2.5
84.02136	0.5
85.02952	5.9
87.00877	3.2
87.55286	0.4
89.02446	3.4
95.01385	1.2
98.20728	0.7
99.00894	1.5
101.02443	9.8
103.04001	0.9
103.27919	0.4
111.00884	0.5
113.02449	4.2
113.06047	0.7
119.03486	1.6
161.04564	1.5
179.14314	0.6
197.15491	1.6
225.15007	1.2
243.12373	0.8
243.15990	8.3
265.09280	0.9
315.18088	1.3
405.21283	100.0
406.21661	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.9
58.00589	1.4
59.01379	48.6
60.01707	1.3
61.41316	1.1
69.69411	6.2
71.01384	22.4
72.99275	1.4
73.02937	5.3
83.01387	1.2
85.02959	5.7
89.02438	21.1
95.01361	2.0
97.14310	1.0
101.02447	10.1
103.04007	1.2
113.02449	8.0
119.03510	5.5
143.03493	1.3
163.11241	4.4
181.12334	27.9
182.12621	1.5
225.11314	100.0
226.11655	5.3
265.09177	2.5
377.54269	1.2
405.17484	53.7
406.17786	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	405.2128
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01867	1.0
57.03438	1.3
58.00584	0.7
58.02971	1.6
59.01379	15.1
61.98819	1.1
69.25616	2.5
69.26020	0.8
71.01382	10.6
72.99294	0.9
73.02942	3.4
74.02472	3.3
74.99102	0.6
82.02950	0.7
83.01382	2.0
85.02948	6.0
86.00072	0.5
86.02474	1.4
87.00874	1.0
87.02836	0.4
87.05636	0.9
89.02444	4.3
95.01383	0.8
99.00871	1.6
99.04565	0.4
99.05627	2.4
100.05984	0.5
101.02440	10.2
101.07164	0.3
103.04034	1.8
109.04133	0.4
112.04048	0.4
113.02438	4.1
113.06078	1.2
114.05624	0.5
119.03493	1.8
120.99612	0.3
125.02444	0.5
127.05143	0.7
128.03542	7.4
129.03882	1.8
133.06940	0.4
135.05629	0.5
141.06647	0.7
143.04622	9.7
144.05009	2.3
146.04555	0.7
153.06668	0.5
156.06694	0.3
157.05077	1.6
159.02922	0.5
160.00723	1.6
161.01022	0.9
161.04572	1.6
166.09804	0.4
167.04565	0.9
167.10831	0.5
177.03331	0.7
179.04538	1.6
180.04892	1.0
197.15408	1.7
210.08766	1.5
211.09172	0.7
225.14935	1.1
226.15346	0.5
243.16013	3.5
254.07840	2.2
255.08095	1.2
265.09164	2.5
272.08871	3.8
273.09146	3.0
275.84052	0.4
288.06476	0.5
289.06799	0.9
306.07632	4.7
307.07944	8.9
308.07471	1.5
361.14395	0.4
405.21298	100.0
406.16373	2.3
406.21497	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	405.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	14.5
59.01379	100.0
61.98822	14.3
64.44293	3.2
69.26390	6.5
69.26743	36.5
71.01383	34.4
72.49678	3.6
73.02940	27.3
75.00849	6.2
81.03480	3.7
82.52681	3.7
83.01376	5.1
85.02960	32.9
87.00863	7.0
89.02451	20.9
96.14066	3.8
99.04516	6.6
101.02439	30.9
103.03989	14.6
113.02448	11.8
117.05611	5.0
125.02398	6.4
129.01959	50.3
137.61298	3.9
147.02989	39.8
157.08690	10.9
159.04475	6.9
161.04555	4.9
166.36188	3.6
181.12341	10.7
187.07640	14.0
195.24715	3.7
199.07623	7.8
203.10709	4.1
212.54750	3.6
215.07094	8.1
225.11307	17.6
225.14909	4.6
231.10202	7.1
243.06458	5.1
243.12361	9.9
265.09195	15.8
275.09286	42.5
289.20117	16.9
296.63382	4.2
311.82657	3.5
317.14136	4.9
345.22772	4.6
363.19998	4.6
405.16916	45.4
405.21231	17.4
405.26035	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	405.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.9
59.01381	84.8
60.93713	2.3
61.98829	50.6
69.46152	4.2
69.46555	17.1
71.01379	30.7
72.99306	5.3
73.02960	16.4
73.99863	2.7
75.16926	2.6
83.01373	7.0
85.02948	37.6
87.00868	9.4
87.11511	2.8
89.02465	13.9
92.09715	2.4
95.01403	2.8
96.95954	3.4
99.00889	3.0
100.90331	2.5
101.02436	30.2
103.04016	3.5
113.02447	11.8
119.03515	3.2
119.04996	2.6
120.99638	9.6
129.01942	69.5
133.02962	5.4
134.03737	11.5
135.04544	4.6
142.56734	2.5
147.02991	22.2
156.21544	2.7
161.02478	3.9
161.04558	3.5
162.03165	4.2
173.57892	2.7
177.01895	4.2
183.13887	11.1
201.14955	33.6
231.10239	12.9
275.09250	30.9
313.12021	3.5
343.21045	3.6
345.19205	22.8
363.20190	59.8
364.20490	5.8
405.16800	8.5
405.21268	100.0
406.21512	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	405.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	1.9
51.88857	2.3
57.03448	20.7
59.01377	71.5
60.87278	2.2
61.98839	8.7
71.01382	24.8
71.53403	3.6
72.36590	2.2
73.02957	9.8
82.11755	2.5
83.01391	2.9
85.02951	41.2
89.02453	23.4
95.01413	3.1
96.96016	3.9
99.04527	12.0
101.02448	36.3
103.04016	23.9
113.02465	10.6
119.03516	6.4
120.33510	2.1
124.40739	2.1
125.02429	3.5
129.01953	98.7
139.07646	4.2
146.18881	2.2
147.03006	100.0
148.03337	3.0
157.08707	15.0
159.04492	6.6
161.04607	3.5
173.05981	2.6
179.05560	4.5
187.07669	16.4
199.09682	2.6
202.06371	6.3
203.10826	3.7
213.09277	6.1
213.50160	2.4
215.07120	4.8
221.04913	2.8
225.14981	26.5
231.10301	15.7
257.08188	6.4
265.09204	7.0
275.09225	40.3
289.20380	3.0
290.20712	2.4
345.19040	3.0
345.22791	3.4
360.22305	2.4
363.20352	3.1
405.11960	5.0
405.17099	32.5
405.20724	4.8
405.25470	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52552	0.5
54.65357	0.6
56.62006	0.5
58.00600	1.1
59.01384	5.5
60.10902	0.6
61.98833	11.2
69.64343	3.3
71.01382	5.9
72.99291	0.7
73.02956	1.5
85.02946	3.3
87.00879	5.3
89.02447	2.2
96.96047	0.7
98.19962	0.8
101.02460	3.3
113.02438	2.3
115.00342	0.7
119.03487	0.8
129.01936	0.6
131.37425	0.6
133.01416	1.2
133.37170	0.6
136.01643	2.6
137.02457	1.9
137.55220	0.6
143.03404	0.6
149.02472	3.6
150.03235	2.6
150.57367	0.5
151.04004	1.6
159.03133	0.7
161.04533	4.4
162.40282	0.6
164.01132	3.8
164.04774	0.9
165.01923	29.4
165.05585	5.9
166.02322	1.1
177.01938	8.0
179.03491	51.5
180.04283	29.0
181.04733	1.1
189.16646	0.6
192.04268	3.2
193.05083	0.7
194.05832	18.2
195.06618	100.0
196.06946	4.1
207.06651	1.4
210.05276	1.9
225.07680	14.7
226.08054	0.8
230.35130	0.6
281.62430	0.6
347.72626	0.7
357.11856	8.4
358.12155	0.9
428.67853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
57.03447	5.4
58.00589	1.8
59.01377	52.8
59.15735	1.1
61.98829	2.2
69.42681	8.3
71.01009	1.9
71.01381	26.3
71.05043	1.3
72.01717	1.0
72.02164	2.0
72.99313	2.4
73.02953	6.2
75.00851	1.5
76.81828	1.1
83.01379	2.9
85.02947	28.2
87.00879	2.6
89.02438	18.0
93.07081	2.6
95.01373	1.2
95.05016	4.0
96.96092	1.1
99.04520	1.7
101.02447	21.3
103.04008	50.8
109.06596	2.0
111.08159	1.4
113.02458	11.8
113.06087	37.1
114.06369	1.2
119.03522	6.9
127.07639	11.6
129.05579	1.6
137.06055	12.6
139.03986	1.4
143.04604	1.3
145.05070	1.4
150.03210	1.6
155.01779	1.5
155.07155	4.9
157.05048	40.0
158.05431	1.7
161.04567	3.1
171.10262	1.4
177.03418	3.6
181.05072	1.8
199.06097	1.8
205.08649	1.2
225.14966	4.1
229.07118	2.1
247.08194	4.2
259.08188	5.6
265.09277	52.4
266.09677	3.5
294.96780	1.3
297.08649	1.5
319.10275	7.5
329.11246	2.1
333.19150	3.5
345.15628	1.6
361.14929	10.2
361.18558	1.3
363.16452	1.6
387.12750	4.0
405.13953	100.0
405.21133	29.1
406.14148	10.2
406.21674	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	405.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05071	0.9
55.01859	0.9
57.03445	4.7
57.63243	0.8
58.00582	2.0
59.01377	47.5
61.98830	4.9
69.03427	1.0
69.16900	8.8
71.01379	22.0
71.05022	1.2
72.99306	1.2
73.02945	6.0
75.00846	0.9
83.01363	2.7
85.02471	1.2
85.02949	20.8
85.06581	1.4
87.00862	3.0
89.02444	16.0
95.01367	1.4
95.05007	3.8
96.96058	0.9
99.04444	0.9
101.02437	14.7
103.04004	31.7
109.02943	0.9
109.06572	1.5
109.54648	0.8
113.02460	7.5
113.06082	51.8
114.06387	1.8
119.03474	5.7
120.99691	1.0
125.02415	1.6
127.07651	9.5
129.01974	1.5
129.05568	6.7
131.03488	1.0
137.02362	1.1
137.06071	5.3
139.03917	1.0
140.57115	0.7
143.03450	1.2
145.23091	0.8
149.04448	1.0
155.07159	4.2
157.05052	91.1
158.05345	2.7
161.04593	2.0
171.06543	3.8
177.03261	1.4
179.05582	1.5
181.04980	1.7
183.10176	2.7
195.06635	1.0
198.67302	0.8
199.06058	4.3
201.11279	1.3
207.13855	1.0
225.11322	1.8
225.14882	1.8
229.07025	1.6
239.51393	0.8
243.06516	1.9
243.15840	3.7
247.08081	3.0
259.08051	3.1
265.09256	23.5
273.16995	1.9
293.09384	2.1
297.08676	1.6
311.10214	2.6
315.17944	1.2
319.10190	3.6
329.11279	2.7
333.19131	5.5
345.15390	1.9
361.14569	3.3
363.16437	3.6
387.12265	2.6
405.13675	100.0
405.21915	14.5
406.13864	9.3
406.21964	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
58.00586	0.4
58.02985	0.8
58.40366	0.3
59.01381	18.5
60.01669	0.3
61.98536	0.6
61.98830	7.4
62.02518	0.3
65.10194	0.3
70.22163	0.3
71.01383	15.6
72.99304	1.3
73.02942	2.1
74.02483	1.7
74.99072	0.6
75.00857	1.1
78.91895	0.5
81.41509	0.3
83.01384	1.3
85.02947	3.9
86.02469	0.7
87.00878	16.4
87.05625	0.4
88.01205	0.4
89.02439	3.8
95.01385	0.5
98.20672	0.8
99.00874	0.9
99.04530	1.1
99.05638	1.0
101.02448	4.4
103.04002	1.3
109.02940	0.9
112.98827	0.5
113.02450	3.0
113.06093	0.8
115.00373	34.8
116.00706	0.8
119.03493	1.7
120.99693	0.4
127.00361	0.7
127.05105	0.4
128.03534	3.0
129.03880	0.9
135.02991	1.0
135.04524	0.5
139.07678	0.4
139.99385	2.1
143.03561	0.7
143.04619	4.5
144.04982	1.4
153.06744	0.4
155.01724	3.2
157.05038	1.1
160.00720	1.3
161.01079	0.3
161.02451	0.4
161.04558	1.1
175.02473	100.0
176.02858	3.4
177.03362	0.5
179.05676	0.7
183.10199	0.4
193.05040	2.3
207.06715	0.6
210.08818	0.7
211.09222	0.5
225.11299	0.7
233.04483	1.6
243.06635	0.5
247.48102	0.4
251.05573	0.5
254.07710	0.7
255.08061	0.9
261.09720	0.3
265.09320	1.6
271.08441	0.8
272.08905	1.6
273.09134	1.1
288.06500	0.5
306.07700	3.2
307.07971	4.5
308.07526	0.9
309.06195	1.3
319.10681	0.4
325.61896	0.4
345.15540	0.6
374.07455	0.4
387.12204	0.4
405.05731	1.7
405.13354	0.9
405.17371	2.5
405.21988	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	404.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93921	0.7
59.01371	2.9
61.98830	29.3
70.16069	0.8
71.53421	1.1
74.10503	0.7
126.05617	1.5
146.45418	0.8
222.82271	0.8
265.17395	0.9
268.72055	0.8
277.21710	100.0
278.22067	8.8
297.28119	0.9
405.26511	2.0
419.15128	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
58.00586	0.4
58.02985	0.8
58.40366	0.3
59.01381	18.5
60.01669	0.3
61.98536	0.6
61.98830	7.4
62.02518	0.3
65.10194	0.3
70.22163	0.3
71.01383	15.6
72.99304	1.3
73.02942	2.1
74.02483	1.7
74.99072	0.6
75.00857	1.1
78.91895	0.5
81.41509	0.3
83.01384	1.3
85.02947	3.9
86.02469	0.7
87.00878	16.4
87.05625	0.4
88.01205	0.4
89.02439	3.8
95.01385	0.5
98.20672	0.8
99.00874	0.9
99.04530	1.1
99.05638	1.0
101.02448	4.4
103.04002	1.3
109.02940	0.9
112.98827	0.5
113.02450	3.0
113.06093	0.8
115.00373	34.8
116.00706	0.8
119.03493	1.7
120.99693	0.4
127.00361	0.7
127.05105	0.4
128.03534	3.0
129.03880	0.9
135.02991	1.0
135.04524	0.5
139.07678	0.4
139.99385	2.1
143.03561	0.7
143.04619	4.5
144.04982	1.4
153.06744	0.4
155.01724	3.2
157.05038	1.1
160.00720	1.3
161.01079	0.3
161.02451	0.4
161.04558	1.1
175.02473	100.0
176.02858	3.4
177.03362	0.5
179.05676	0.7
183.10199	0.4
193.05040	2.3
207.06715	0.6
210.08818	0.7
211.09222	0.5
225.11299	0.7
233.04483	1.6
243.06635	0.5
247.48102	0.4
251.05573	0.5
254.07710	0.7
255.08061	0.9
261.09720	0.3
265.09320	1.6
271.08441	0.8
272.08905	1.6
273.09134	1.1
288.06500	0.5
306.07700	3.2
307.07971	4.5
308.07526	0.9
309.06195	1.3
319.10681	0.4
325.61896	0.4
345.15540	0.6
374.07455	0.4
387.12204	0.4
405.05731	1.7
405.13354	0.9
405.17371	2.5
405.21988	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	404.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24894	0.6
59.01375	1.4
61.98830	100.0
69.27236	6.6
101.41913	0.7
156.80638	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32084	0.8
56.37882	0.8
59.01373	3.6
61.98831	100.0
63.96231	0.8
69.83733	4.2
74.82583	0.9
89.00706	0.8
106.54666	0.9
124.03834	1.0
140.55203	0.9
218.57529	0.9
239.54660	0.9
282.34033	0.9
344.23264	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03143	0.5
53.27021	0.6
59.01382	1.6
60.27909	0.6
61.98830	100.0
68.49739	0.5
70.37966	1.2
70.38359	1.1
79.04932	0.6
83.58934	0.6
98.19969	0.8
107.51813	0.6
108.35178	0.5
162.92833	0.6
172.32253	0.6
185.47649	0.6
189.78453	0.6
259.41705	0.6
291.98706	0.6
344.94077	0.7
404.20789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	8.7
59.01373	9.7
61.98816	4.0
69.69787	5.9
70.03002	0.9
70.74971	0.9
71.01376	6.4
72.00912	1.7
73.02923	1.2
73.81931	1.1
74.02472	20.1
74.77857	0.9
81.04551	1.1
82.02983	2.1
84.04472	1.0
85.02958	3.1
86.02480	8.9
86.99103	1.2
87.05633	6.2
89.02443	4.1
90.00216	2.7
95.02483	0.9
97.04095	2.7
98.20586	2.2
99.05640	16.7
101.02452	4.6
101.07197	2.4
102.05610	2.3
102.44740	0.9
103.04009	1.7
109.04076	1.8
112.04020	3.1
113.02456	2.4
113.03590	1.5
113.06109	1.1
114.05589	5.4
116.01774	1.2
116.45454	1.0
119.03481	1.4
123.05683	1.3
124.04092	1.8
125.03564	2.5
127.05149	2.7
128.03542	46.9
129.03847	1.5
131.04628	1.6
135.05635	3.9
141.05786	1.0
141.06706	6.3
143.04619	69.7
144.04932	2.3
145.06184	2.1
146.04620	6.1
153.06711	4.7
155.08238	1.2
156.06638	3.4
157.05011	0.9
160.00743	18.4
166.09859	3.3
167.04648	5.2
167.08261	1.9
177.03374	8.5
179.03404	1.2
179.04602	10.8
181.06213	1.9
185.05713	2.6
197.05634	1.2
210.08801	11.6
211.09129	1.2
228.09895	1.4
231.04381	1.5
242.07935	1.2
243.16057	1.8
254.07811	20.0
265.09039	1.2
272.08868	30.1
273.09256	1.6
288.06641	11.2
306.07639	100.0
307.07910	6.3
404.15283	4.5
405.21411	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	404.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92021	0.2
52.48317	0.2
52.61229	0.2
56.54367	0.2
59.01385	0.5
61.98827	100.0
69.76516	1.3
85.02952	0.3
85.12650	0.3
88.71094	0.2
89.02458	0.3
89.66051	0.2
90.46786	0.2
98.19824	0.2
110.06242	0.2
344.11560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87941	0.3
61.98830	100.0
62.98540	0.3
63.72173	0.3
64.66592	0.3
69.38757	2.4
69.39078	0.4
78.89491	0.3
94.85962	0.3
98.20033	0.8
98.20689	0.6
132.40840	0.3
195.89508	0.3
234.22932	0.3
308.81577	0.3
324.01764	0.4
344.11594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
61.98830	100.0
70.96404	0.6
70.96769	0.3
71.01392	0.3
85.02956	0.7
92.58262	0.3
121.43059	0.3
133.01476	0.5
135.04613	0.5
162.04442	0.3
179.03590	0.3
195.06667	0.8
382.06354	0.3
401.49838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.5
59.01380	6.6
60.01707	0.5
61.98829	100.0
65.62608	0.4
71.01374	2.2
71.53493	0.6
72.99294	0.6
73.02957	0.5
83.39169	0.5
85.02971	1.4
86.21536	0.4
88.98768	0.5
89.02457	1.9
90.53956	0.4
95.01328	0.4
96.96021	1.7
96.96973	0.5
101.02460	1.5
103.04036	1.0
108.02171	1.7
109.02506	0.5
109.82227	0.3
112.00412	0.3
113.02452	1.4
114.05627	1.3
119.03521	0.5
123.00848	2.3
123.04530	0.6
124.01235	1.3
124.22616	0.4
133.01451	1.5
135.04529	8.2
135.05557	0.7
138.03246	1.7
139.04019	1.8
140.04375	1.4
152.01192	1.8
153.01524	1.2
153.65826	0.4
156.06670	1.1
161.04630	0.8
167.03516	3.2
168.03780	2.7
179.03490	13.8
180.03778	0.9
223.06174	0.4
237.55153	0.4
241.07291	0.5
242.07497	0.5
243.16182	0.6
260.79764	0.3
264.11661	0.4
265.09241	0.7
341.08713	2.9
344.10983	0.8
379.85013	0.4
395.05734	0.4
404.12256	0.9
404.16321	0.8
404.20587	0.6
405.13245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49648	3.9
59.01379	71.7
60.95427	4.5
61.98832	100.0
69.23563	17.9
69.23997	17.5
88.48930	3.9
97.92780	4.0
167.75377	4.6
343.22733	21.6
403.24789	9.8
426.02100	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	403.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86370	0.4
59.01389	1.5
61.98832	100.0
71.53875	0.5
71.54245	0.4
85.03000	0.5
101.02496	0.5
113.02423	0.6
150.72112	0.4
164.22159	0.4
171.10292	0.5
199.04047	0.6
211.13248	0.5
212.06015	0.4
213.47618	0.4
225.06609	0.4
227.08243	2.4
283.10858	6.0
327.09869	3.5
329.23355	1.9
349.01688	0.4
371.09009	0.4
388.63358	0.4
394.72174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1975
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
55.01884	1.6
57.03453	2.6
58.00594	1.1
59.01381	53.6
60.01716	0.8
61.98830	9.1
69.03465	1.2
69.40926	1.0
69.41329	2.3
71.01383	23.2
71.05053	0.5
72.01726	0.4
72.99310	1.2
73.02950	8.3
81.70842	0.4
83.01387	4.0
84.33427	0.5
85.02955	10.2
86.00121	1.2
87.00871	3.3
87.04528	0.5
89.02448	5.2
93.03453	1.9
95.01411	1.8
97.02956	0.8
97.06610	0.6
99.00858	2.1
101.02442	14.3
111.00875	0.6
111.44763	0.4
113.02445	7.5
119.03522	1.3
120.99647	0.7
123.08211	0.8
124.01720	0.6
125.02438	1.7
128.03558	0.5
129.01936	0.6
143.03491	1.0
147.03062	0.8
155.10812	0.5
161.04549	1.1
181.12334	3.8
193.05032	0.5
199.07643	2.2
199.13405	7.2
229.09032	0.5
241.14503	0.6
245.13844	1.4
306.07532	0.6
314.29764	0.4
317.19678	1.5
317.88834	0.4
343.17587	16.2
343.20978	0.6
344.17987	1.7
349.12292	0.5
361.18671	36.2
362.18924	3.1
403.19638	100.0
404.14386	0.5
404.19946	10.3
404.25037	0.7
409.42026	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.197
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
57.03438	4.2
58.00574	3.3
59.01380	100.0
61.98833	3.0
62.41847	1.2
69.42095	5.8
69.42521	4.9
71.01383	64.9
72.99308	2.6
73.02953	12.2
83.01392	6.4
85.02946	19.0
85.09585	1.3
87.00871	4.5
89.02446	56.8
95.01384	5.7
99.00881	4.8
101.02441	48.7
113.02451	34.6
119.03506	27.6
123.08174	1.8
131.03513	3.1
134.03746	11.6
138.01967	4.3
143.03534	4.3
149.04510	2.6
149.06053	3.7
150.03236	3.5
155.21149	1.5
159.03009	4.4
161.04558	21.9
161.09712	5.8
163.11298	3.1
176.07341	1.5
178.02756	10.4
179.05652	5.3
179.10756	5.9
193.05051	31.1
223.10136	7.4
223.13385	69.2
224.13690	4.0
225.15041	1.6
225.39311	1.4
239.12170	1.7
241.10626	2.9
241.14468	17.5
253.06235	1.5
272.39072	1.5
283.11023	3.3
327.09970	9.2
359.20764	4.2
371.08893	4.2
403.11194	5.5
403.19760	90.2
404.20181	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	403.1972
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
51.59145	0.4
55.01883	3.1
57.03448	2.3
58.00585	1.0
59.01381	28.7
61.98830	2.1
68.60339	0.4
69.03448	0.6
70.36928	1.4
71.01381	23.0
72.99289	1.1
73.02946	8.6
75.00869	0.5
80.91698	0.6
83.01386	5.7
85.02953	13.1
86.00083	0.8
87.00874	6.3
89.02437	5.5
95.01363	2.1
98.20063	0.5
99.00862	2.2
101.02443	22.6
102.02800	0.5
102.73393	0.4
103.59739	0.4
111.00867	0.9
113.02453	8.1
119.03504	1.9
125.02462	0.6
129.01930	0.5
132.04576	0.6
134.03712	0.6
137.02470	0.6
137.09685	1.1
143.03426	0.7
159.03003	1.1
161.04538	2.2
165.01917	0.7
169.01480	0.6
179.10753	0.8
181.29541	0.4
193.05098	1.6
197.11827	1.7
197.15500	2.0
211.13469	0.6
223.09727	1.0
241.10918	2.4
241.14449	7.4
241.16707	0.6
251.58321	0.4
275.18668	0.4
283.10867	1.5
313.16446	0.7
327.09836	1.9
343.13809	0.6
370.63379	0.4
371.08801	1.2
403.19720	100.0
404.20016	10.0
404.25372	0.9
420.57208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1609
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
52.34394	1.5
54.97329	1.2
55.01862	1.8
55.58390	1.4
57.03436	5.5
58.00589	3.2
59.01378	93.5
60.01704	1.3
61.98832	23.0
71.01380	42.6
71.54160	1.7
72.99306	8.1
73.02591	1.6
73.02953	6.5
83.01373	2.4
83.05024	1.7
84.80952	1.5
85.02949	15.5
87.00878	3.5
89.02443	47.7
95.01408	2.4
95.05007	1.6
96.95980	1.9
97.02982	1.7
97.06587	1.7
99.00905	3.2
99.04507	3.6
101.02451	24.5
109.06621	1.8
113.02452	19.6
115.00375	2.5
118.98048	2.4
119.03499	17.3
123.08162	1.7
124.05320	1.5
125.02430	3.8
128.03516	1.4
131.03526	2.1
132.04620	1.8
135.11795	4.0
137.02480	2.7
139.78622	1.4
143.03455	2.2
146.06087	2.1
149.04515	1.4
153.09135	1.8
155.10732	2.2
161.04591	4.7
161.09705	3.9
174.01765	2.4
175.02507	5.4
179.03461	2.4
179.05595	5.8
179.10783	45.1
180.11110	3.5
181.12233	1.4
190.05070	1.7
197.06058	5.7
199.09724	2.1
211.13498	1.9
213.09288	1.7
215.09172	5.3
223.09746	100.0
223.13339	3.9
224.10027	7.9
231.10172	1.4
241.05022	3.1
241.10600	1.9
241.14349	2.1
281.09326	2.2
283.10895	10.6
287.18588	12.4
288.18774	1.5
305.06732	4.5
309.08728	4.2
327.09717	8.8
359.12006	2.7
361.18570	2.1
371.08759	9.5
403.10956	3.5
403.15387	23.9
403.20255	11.3
403.23657	5.9
404.15857	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	403.1243
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
59.01379	46.1
61.98833	50.3
67.94031	1.6
70.19551	4.7
71.01385	8.0
72.99312	6.9
73.02956	1.5
75.72842	1.5
82.83857	1.3
85.02950	6.9
89.02454	3.3
95.01386	4.3
96.95983	3.6
101.02459	3.0
108.02175	27.8
113.02493	3.3
119.03555	2.0
121.02951	4.0
123.00884	70.9
123.03719	1.9
123.04533	11.9
124.01694	20.9
129.01913	1.8
135.04503	2.4
137.02423	2.4
138.03224	49.9
139.04022	57.7
149.02480	8.2
151.04002	2.0
152.01146	60.6
153.05550	2.2
161.04469	3.1
163.03972	2.3
163.07541	1.6
164.04794	8.9
165.05327	1.6
166.02620	2.1
167.03491	100.0
168.03856	2.8
179.07121	1.9
181.04990	2.8
189.95778	1.8
193.04979	2.8
197.04446	1.7
203.05624	2.9
208.03745	3.8
223.06165	12.5
241.07150	25.1
283.08176	3.8
343.10428	17.0
352.50198	1.6
371.09805	2.5
403.12372	40.4
404.12811	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	403.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70476	0.3
52.61032	0.3
59.01379	2.2
61.98836	3.7
68.30969	0.4
69.70708	2.0
71.01392	1.3
85.02969	0.6
89.02459	0.5
96.96047	0.4
101.02451	1.0
108.02173	27.7
109.02454	0.5
111.00865	0.6
111.04566	0.4
123.00879	1.0
123.04524	13.7
124.04839	0.6
152.01154	53.0
153.01485	1.5
162.03090	0.4
167.03491	100.0
168.03821	3.7
183.16406	0.3
219.19011	0.4
223.06155	1.0
241.07074	1.1
251.05562	0.4
253.26126	0.4
267.11691	0.3
328.54956	0.3
371.09708	1.0
403.12357	19.5
404.12607	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20596	0.8
55.79648	0.9
59.01376	15.4
60.72920	1.0
61.98831	4.8
69.68937	3.3
71.01377	5.8
73.02955	1.1
80.05056	1.8
80.51896	0.8
85.02953	2.6
89.02446	6.0
101.02461	4.4
104.05058	1.4
107.75634	0.9
108.04531	1.5
113.02438	2.1
118.06442	1.1
119.03551	2.1
120.99677	1.1
122.06102	7.5
124.07687	1.2
124.13715	0.9
130.02994	2.5
131.03711	1.3
132.04561	13.8
142.78926	0.9
146.02521	1.4
147.03229	3.6
148.03999	1.1
150.05597	2.1
156.08067	1.0
158.02448	6.7
160.04010	8.0
161.04637	1.0
162.05588	3.1
174.05493	1.6
176.03535	7.3
176.07170	2.9
179.10828	5.6
181.07544	1.0
183.09213	1.9
184.07698	2.3
185.07179	1.0
190.05081	14.2
191.05876	1.4
196.11241	1.2
197.04744	1.0
198.04172	1.1
209.07211	2.1
209.10986	0.9
211.12326	4.3
212.05843	2.9
212.10799	4.3
213.06709	1.4
215.11897	4.0
220.02353	1.3
222.50377	1.0
223.09935	9.5
224.07277	1.4
224.09451	14.1
225.06396	1.1
225.08156	1.1
226.07486	3.6
227.08224	6.1
227.11754	1.2
234.04066	1.5
237.10359	1.7
238.08575	1.4
239.04623	1.1
239.08215	3.4
239.11874	26.6
240.10602	7.3
241.09746	9.0
242.10213	1.1
250.07465	2.4
252.05507	1.4
253.06155	22.1
254.06738	3.2
255.07704	2.7
255.11340	7.3
265.09717	4.0
267.07813	6.1
268.08524	9.9
281.09286	8.7
283.10876	65.1
284.11206	3.8
287.10336	1.3
309.08786	18.6
310.09192	1.3
320.37985	1.0
327.09836	71.8
328.10074	3.6
341.11331	2.6
353.07687	4.1
353.78726	0.9
359.12421	2.7
371.08804	100.0
372.09103	7.6
393.30554	1.2
403.11386	46.0
403.19482	6.8
404.11728	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03711	1.4
57.03436	3.7
59.01384	19.0
61.09275	1.2
61.98833	15.2
69.55923	4.9
69.56337	3.6
71.01379	7.6
73.02938	3.8
80.05061	3.1
83.01371	2.0
84.02235	1.4
84.02717	1.4
85.02941	11.7
87.00870	1.6
89.02444	4.5
96.95997	2.2
98.20242	5.0
101.02431	3.6
101.69755	1.4
104.05043	2.8
108.04533	2.8
113.02462	3.8
116.05054	1.2
118.98039	1.8
122.06126	8.7
124.07687	2.9
125.02410	3.8
129.01955	1.7
130.02975	3.7
132.04552	24.1
140.20876	1.3
141.24484	1.4
146.02486	3.3
147.03162	5.8
150.05618	3.3
155.10745	3.3
158.02477	10.5
160.04044	15.6
161.04637	2.8
162.05623	3.7
174.01862	1.5
174.05583	1.6
175.02502	3.4
176.03539	13.2
176.07117	3.2
179.03502	3.3
183.09186	3.3
184.07651	1.9
190.03516	1.8
190.05098	21.7
191.01938	4.0
191.05598	1.7
197.04764	1.5
197.07060	1.5
198.04292	1.7
199.09659	4.3
209.07094	2.4
211.08769	1.7
211.12369	6.0
212.05768	2.5
212.10716	5.5
213.06534	1.8
215.11942	6.8
220.02527	2.4
223.08772	7.8
224.09529	18.8
225.08051	3.1
225.09805	1.7
226.07436	4.5
227.08272	7.4
228.08833	1.8
234.04016	6.3
235.04753	1.8
239.04634	2.7
239.08119	3.4
239.11909	38.9
240.10378	9.8
240.12315	3.3
241.09850	11.0
242.10193	1.5
247.56865	1.6
250.07465	2.5
252.05321	3.7
253.06169	28.8
253.09045	1.7
253.09895	2.1
253.14391	1.5
254.06737	5.1
255.07526	5.0
255.11481	10.2
256.08444	2.6
265.09647	5.1
267.07785	10.7
268.08514	15.4
281.09332	7.8
283.10886	75.1
284.11090	6.2
285.13632	1.9
305.06573	3.8
309.08792	23.2
310.08862	2.0
315.13428	4.0
327.09860	100.0
328.10172	8.6
329.19897	1.3
341.11243	3.8
353.07791	3.7
359.12265	4.5
371.08795	84.5
372.09125	9.4
403.11288	73.3
403.19638	3.2
403.23254	5.1
404.11377	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	402.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22878	0.9
61.98827	100.0
69.92739	2.1
69.93131	2.2
79.06724	0.9
79.07358	0.9
80.43478	1.0
98.19987	1.5
120.70739	0.9
147.74635	0.9
163.11304	5.2
165.61168	1.1
182.36444	0.9
185.10620	1.0
255.22954	0.9
331.97559	1.0
339.23328	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	403.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72295	0.4
59.01378	6.2
61.31878	0.4
61.60070	0.5
61.98830	6.3
71.01380	0.6
76.84392	0.5
89.02424	0.6
118.03056	0.5
184.06380	0.9
199.08801	0.8
209.07104	0.7
211.06496	5.9
212.05887	6.5
212.10925	0.7
218.64647	0.5
225.03033	1.2
225.06636	3.5
226.07414	2.4
227.08263	30.1
228.08543	2.2
253.06207	1.0
255.11357	1.0
267.07742	2.1
268.08456	6.0
281.09360	0.8
283.10873	100.0
284.11230	8.7
327.09848	56.4
328.10165	5.8
371.08957	4.2
403.11502	1.6
410.89194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1816
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
53.47549	0.4
55.01878	2.1
57.03441	2.7
58.00592	0.9
59.01379	28.3
61.98822	1.0
62.47650	0.4
69.53383	1.1
69.53792	1.3
69.72272	0.4
70.91206	0.4
71.01383	19.1
71.05064	0.6
72.01713	0.5
72.99300	1.1
73.02942	5.4
75.00854	0.4
83.01390	4.5
85.02948	9.0
86.00111	0.5
87.00877	1.2
89.02446	10.6
95.01390	1.8
96.96000	2.0
98.19868	0.8
99.00874	1.8
101.02444	16.5
103.16608	0.4
109.02966	0.6
113.02448	8.5
119.03465	3.7
121.06612	0.5
123.08159	2.7
125.02393	0.6
137.02475	0.7
137.09746	1.1
159.03017	0.6
161.04550	1.8
161.09688	0.6
166.02725	0.9
177.12848	4.5
179.05568	0.9
195.06613	3.3
195.13927	2.4
198.24362	0.4
221.11818	4.9
239.12993	2.1
303.05191	0.8
341.11014	1.2
358.28656	0.4
401.11603	3.7
401.18143	100.0
402.18484	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	401.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
56.52393	0.4
57.03452	3.2
58.00584	0.8
59.01381	30.9
60.01716	0.6
61.98828	0.8
69.03441	0.4
69.53364	2.9
71.01381	20.4
72.99300	1.1
73.02949	5.7
75.92027	0.4
83.01389	4.5
85.02416	0.2
85.02946	10.1
87.00885	1.1
89.02444	10.6
90.02782	0.5
95.01383	1.9
96.96010	2.2
98.20634	0.8
99.00867	1.5
101.02441	16.5
102.02757	0.5
106.25924	0.4
109.06608	0.5
113.02445	7.2
119.03510	3.2
121.06539	0.5
123.08154	2.7
125.02386	0.5
137.09695	1.3
138.03180	0.7
143.03511	0.8
146.97194	0.5
161.04527	1.6
161.09753	0.5
165.01851	0.7
166.02621	0.7
177.12851	5.2
179.05634	0.7
195.06581	2.2
195.13957	2.4
219.10390	0.5
221.11774	4.1
239.12848	2.2
283.60889	0.4
303.05188	0.6
326.85779	0.5
332.31750	0.5
341.10928	0.9
401.18134	100.0
402.13162	0.5
402.18423	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	401.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
57.03448	3.0
58.00585	0.6
59.01377	16.9
61.98833	1.3
63.85467	0.2
68.99803	0.2
69.03445	1.0
71.01380	33.7
72.01723	0.6
72.99308	0.7
73.02943	16.5
75.00867	0.5
83.01390	3.8
83.05002	0.3
84.02158	0.3
85.02947	23.2
86.03291	0.5
87.00863	1.3
87.04518	1.9
89.02447	7.1
90.02824	0.2
93.03455	0.3
95.01382	2.7
95.05012	1.3
97.02944	4.0
99.00880	3.5
101.02441	15.5
102.02796	0.3
105.07117	1.0
107.05033	0.6
108.02190	0.8
108.05806	1.7
109.02924	1.0
109.06612	1.5
111.04490	1.1
111.08182	0.4
113.02445	13.2
113.06075	1.7
114.02779	0.5
119.03515	1.7
121.06608	0.4
122.03740	1.5
123.04568	1.0
123.08159	2.0
125.02441	0.8
125.06084	2.0
128.04056	0.2
129.01924	0.9
131.03476	0.2
134.03777	0.3
135.08154	1.0
136.05290	1.9
137.06093	1.3
138.06863	21.3
139.07693	5.2
143.03542	1.2
146.03709	0.3
147.08151	0.3
149.06111	0.7
150.06862	0.6
151.07646	17.9
152.04839	1.6
152.08437	9.9
153.09207	100.0
154.09543	4.5
159.02982	2.3
161.04555	13.7
161.05679	0.2
161.09695	0.9
162.04900	0.2
163.07603	0.3
164.04759	0.4
164.08305	0.3
165.09203	16.9
166.09547	0.8
167.07088	0.7
170.05826	0.5
173.05984	0.2
178.09985	0.7
179.05591	0.8
179.07130	1.6
179.10779	1.4
187.07664	0.4
188.08330	1.1
191.07104	0.5
191.10789	1.0
197.08206	0.3
201.09135	0.5
203.10760	4.1
204.11124	0.3
205.03581	0.3
206.09471	3.4
221.11813	34.4
222.12164	2.4
229.01125	0.2
239.12874	23.8
240.13199	1.8
249.09814	1.0
341.11234	0.2
383.16919	0.2
401.10583	0.4
401.18127	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
57.03448	3.0
58.00585	0.6
59.01377	16.9
61.98833	1.3
63.85467	0.2
68.99803	0.2
69.03445	1.0
71.01380	33.7
72.01723	0.6
72.99308	0.7
73.02943	16.5
75.00867	0.5
83.01390	3.8
83.05002	0.3
84.02158	0.3
85.02947	23.2
86.03291	0.5
87.00863	1.3
87.04518	1.9
89.02447	7.1
90.02824	0.2
93.03455	0.3
95.01382	2.7
95.05012	1.3
97.02944	4.0
99.00880	3.5
101.02441	15.5
102.02796	0.3
105.07117	1.0
107.05033	0.6
108.02190	0.8
108.05806	1.7
109.02924	1.0
109.06612	1.5
111.04490	1.1
111.08182	0.4
113.02445	13.2
113.06075	1.7
114.02779	0.5
119.03515	1.7
121.06608	0.4
122.03740	1.5
123.04568	1.0
123.08159	2.0
125.02441	0.8
125.06084	2.0
128.04056	0.2
129.01924	0.9
131.03476	0.2
134.03777	0.3
135.08154	1.0
136.05290	1.9
137.06093	1.3
138.06863	21.3
139.07693	5.2
143.03542	1.2
146.03709	0.3
147.08151	0.3
149.06111	0.7
150.06862	0.6
151.07646	17.9
152.04839	1.6
152.08437	9.9
153.09207	100.0
154.09543	4.5
159.02982	2.3
161.04555	13.7
161.05679	0.2
161.09695	0.9
162.04900	0.2
163.07603	0.3
164.04759	0.4
164.08305	0.3
165.09203	16.9
166.09547	0.8
167.07088	0.7
170.05826	0.5
173.05984	0.2
178.09985	0.7
179.05591	0.8
179.07130	1.6
179.10779	1.4
187.07664	0.4
188.08330	1.1
191.07104	0.5
191.10789	1.0
197.08206	0.3
201.09135	0.5
203.10760	4.1
204.11124	0.3
205.03581	0.3
206.09471	3.4
221.11813	34.4
222.12164	2.4
229.01125	0.2
239.12874	23.8
240.13199	1.8
249.09814	1.0
341.11234	0.2
383.16919	0.2
401.10583	0.4
401.18127	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02914	2.1
55.01873	2.4
57.03435	4.3
58.00578	3.1
59.01377	100.0
61.98824	16.3
71.01382	50.7
71.04977	2.4
71.53271	2.8
72.99303	5.5
73.02940	9.2
74.99089	3.3
83.01360	2.8
85.02953	19.1
87.00873	5.6
89.02440	56.6
90.98603	4.9
95.01356	2.8
101.02444	29.0
105.92197	2.0
106.19485	2.2
107.04999	2.4
109.02926	3.2
111.00884	3.4
113.02447	19.6
119.03489	20.3
119.05000	6.5
121.02874	2.3
121.06579	3.2
129.01961	3.6
131.03474	2.3
134.03758	2.7
135.04556	5.7
136.99104	3.2
137.06058	7.5
143.03477	3.7
151.11227	6.0
153.01910	3.1
153.09233	2.6
161.04527	8.1
162.03229	2.2
163.03984	6.5
179.05574	21.3
179.07048	4.2
195.03015	2.8
195.10220	6.0
221.11783	6.7
239.09213	4.3
247.08267	2.4
341.10797	15.4
365.14478	3.8
401.09885	3.3
401.13977	15.2
401.18182	12.3
403.05994	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	401.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13319	2.2
57.03457	3.3
59.01377	60.5
66.97775	2.4
70.64068	8.2
71.01382	38.7
72.99299	2.9
73.02943	5.6
75.00845	3.5
75.35803	2.9
75.75750	2.4
76.92900	2.2
83.01385	2.7
85.02950	14.8
87.00880	33.6
89.02443	59.1
101.02446	22.8
108.02184	10.8
109.02927	7.6
113.02454	18.4
119.03502	15.2
123.00915	4.7
129.01866	3.3
131.03476	3.0
138.03217	3.7
143.03482	4.2
147.03058	2.8
152.01149	6.9
153.01912	7.0
161.02481	4.1
161.04529	4.8
163.03958	4.3
164.04770	6.4
164.11830	2.5
166.02750	3.2
176.04745	6.3
178.06288	4.9
179.03398	5.1
179.05571	21.4
179.07115	15.7
181.05034	6.6
182.02158	4.3
191.01930	3.6
191.03473	5.6
191.07161	4.9
193.05038	3.2
197.04515	6.6
203.03441	5.5
206.05698	3.3
209.02859	3.0
209.08189	4.6
262.04745	3.9
265.07153	27.6
277.07150	10.6
295.08096	20.3
325.09296	4.2
341.10876	100.0
342.11224	8.5
355.10291	5.3
357.08200	7.6
383.09912	4.3
401.10883	60.8
402.11118	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.8
51.16632	1.6
55.36502	1.5
59.01379	59.6
60.46878	1.8
71.01383	42.4
71.74043	1.7
72.01687	2.0
72.99319	2.3
73.31033	1.6
85.02937	6.2
87.00871	4.1
89.02441	59.6
98.19858	3.8
98.20557	7.3
101.02451	22.2
103.00591	1.8
113.02441	18.5
119.03493	20.1
131.03484	4.2
143.03502	3.5
149.04489	3.1
161.04559	3.9
167.11729	1.7
179.05606	22.4
197.04495	1.9
209.06660	1.9
327.38901	1.7
341.10883	100.0
342.11118	6.9
360.49536	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1119
Annotation	CHEBI:45068
Peak:m/z	Relative Intensity
51.56194	0.4
53.79582	0.4
55.01887	0.5
57.03445	0.7
59.01379	13.6
61.98817	0.9
69.80951	1.0
69.81352	2.4
71.01380	6.6
72.99305	1.0
73.02943	1.4
79.95733	2.9
80.96542	1.2
85.02942	3.2
89.02448	7.5
91.25945	0.5
95.01372	0.6
95.05062	0.5
96.96013	83.6
98.20083	1.0
98.20596	0.5
101.02444	5.0
104.88834	0.5
107.73953	0.5
113.02465	2.7
113.09733	1.3
115.18173	0.5
119.03533	3.1
121.87305	0.5
122.97505	0.6
124.01603	0.8
124.03974	0.5
125.06151	0.5
131.03537	0.7
134.04724	0.8
138.01990	3.9
141.09201	0.5
143.03442	0.8
150.92398	0.6
150.97096	0.8
151.11314	1.0
152.98613	2.4
154.01460	7.2
159.10297	1.8
161.04642	0.7
178.02687	0.8
179.05609	1.3
180.98149	2.1
183.07413	0.5
196.03778	1.1
221.11754	0.7
231.23784	0.5
239.09251	0.5
241.00232	14.1
242.00545	0.6
285.17093	1.1
321.15439	1.5
341.10754	1.4
371.13528	1.1
401.11203	100.0
402.11481	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	401.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06042	0.5
55.01875	0.6
56.63364	0.5
57.03442	1.2
58.72960	0.4
59.01378	12.3
63.97084	0.4
71.01375	7.0
72.99297	0.5
73.02948	1.2
79.95733	2.2
80.96529	0.7
83.01386	1.5
85.02946	3.0
86.03313	0.4
87.00864	1.0
89.02440	6.4
95.01382	0.6
95.08734	0.5
96.96008	76.2
98.20676	0.9
98.32677	0.5
99.00844	0.8
101.02431	6.1
108.02161	1.0
109.02943	0.9
113.02439	3.0
113.09689	1.2
119.03475	3.3
124.01675	0.9
125.02489	0.7
135.09784	0.6
137.02477	1.1
138.01962	4.8
138.03062	1.0
141.09253	0.6
143.03502	0.9
151.03926	0.5
151.11247	0.7
152.98611	2.6
154.01474	12.2
159.10283	2.1
161.04582	1.1
165.02008	0.8
166.02713	1.4
179.05533	0.7
180.98140	2.2
195.06653	1.4
195.10263	0.8
196.03770	1.1
221.11748	1.6
237.11395	0.5
239.12865	0.9
241.00241	12.5
248.03075	0.5
285.17224	0.5
303.05133	0.6
321.15353	1.2
332.38943	0.6
341.10947	2.0
358.07562	0.9
371.13464	1.4
401.11185	100.0
402.11411	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	401.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
59.01379	5.8
68.99810	1.9
71.01385	6.8
71.18848	2.6
72.99287	1.5
73.02937	3.6
85.02956	5.7
87.00874	41.6
88.98814	1.3
89.02443	3.2
96.96002	1.8
98.20216	1.6
101.02451	3.7
109.02952	1.2
111.00908	1.3
113.02430	3.2
121.02950	2.4
123.00857	4.2
129.01978	1.5
135.04428	1.5
138.03218	2.5
149.02464	2.9
151.00372	2.3
152.01181	1.2
153.05557	2.3
160.22322	1.2
161.02425	5.8
163.04019	14.6
164.04802	10.4
165.05501	3.0
166.02724	6.3
173.02443	1.2
175.03992	2.7
176.04736	9.3
177.01935	3.2
177.05469	2.1
178.06342	14.5
179.03535	7.4
179.05574	2.5
179.07101	25.2
181.05095	8.6
188.04710	1.4
190.02725	2.2
191.03511	14.1
191.05034	1.6
191.05589	1.1
191.07066	7.6
192.04173	2.9
193.05095	7.8
193.08620	3.5
194.05780	6.1
202.06287	1.6
203.03511	5.3
204.04160	2.6
204.83572	1.1
205.05096	6.3
206.05882	8.9
207.02998	1.5
207.06544	3.3
208.07503	1.9
209.08214	7.1
218.05872	4.0
219.02975	3.2
221.04539	3.3
221.08133	7.9
231.02965	1.5
234.05319	3.8
235.02475	1.9
235.06200	1.8
236.06674	2.1
237.07712	4.4
238.04758	2.4
247.02454	4.6
247.06046	3.5
249.07637	6.0
251.09123	3.1
261.07724	2.0
262.04767	10.0
265.07169	51.7
266.07486	3.4
277.07184	26.2
295.08218	69.5
296.08539	5.2
325.09485	2.5
337.09387	1.9
341.10895	3.7
355.10324	24.1
356.10666	1.8
365.22617	1.2
383.09760	8.2
401.10873	100.0
402.11279	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	400.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03458	2.4
58.03809	0.4
59.01374	2.9
61.98829	100.0
66.93209	0.4
69.41708	2.8
71.01379	2.3
72.62881	0.3
73.02943	1.1
75.00868	0.5
81.91626	0.4
82.08377	0.4
83.01405	1.1
85.02946	10.4
86.03278	2.7
88.98810	0.4
89.02455	0.8
96.96011	0.6
99.00891	1.7
101.02463	1.7
108.02186	2.0
109.02982	2.2
111.00901	3.1
112.01236	1.7
113.02480	0.5
115.00394	1.8
129.01950	3.8
130.02283	1.5
134.03770	1.1
135.04095	0.8
139.00354	0.7
149.06073	1.5
152.01143	2.5
153.01997	1.0
161.02505	2.0
161.04659	0.6
165.01855	0.5
175.02486	1.3
177.01923	2.7
179.03490	0.5
193.05170	0.5
195.06630	0.4
200.94020	0.4
205.03474	3.0
206.03998	1.7
217.42738	0.5
219.03058	0.7
223.04588	7.6
224.04970	5.0
225.05223	0.5
233.04521	2.2
277.03519	5.7
278.03879	0.4
282.70291	0.4
308.24033	0.4
319.04587	2.0
337.05615	3.1
400.05075	1.9
401.10831	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	400.052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58445	0.3
51.80711	0.3
55.01878	0.6
55.74088	0.3
55.88144	0.3
57.03450	4.6
58.03798	0.4
59.01100	0.7
59.01377	5.7
61.98832	100.0
69.66723	1.6
71.01377	2.3
72.51740	0.3
72.99301	0.5
73.02953	0.9
75.00877	0.6
78.95913	0.6
82.45396	0.3
83.01402	1.9
84.01745	0.5
85.02953	15.7
86.03289	3.8
87.00897	0.4
89.02467	0.8
99.00893	1.5
99.04533	1.2
101.02418	1.9
109.03043	0.5
111.00883	5.7
112.01222	1.7
113.02468	0.7
115.00378	1.7
121.79288	0.4
125.02523	0.5
129.01952	5.4
130.02242	1.8
133.02982	0.5
134.03749	1.6
134.04675	0.6
135.04106	0.8
137.06117	0.5
139.00441	0.6
147.03036	0.6
149.06073	1.2
161.02448	1.7
161.04564	0.9
165.01970	0.6
175.02480	0.9
175.03845	0.4
177.01918	2.8
179.03491	0.4
179.07091	0.5
193.05037	1.5
194.05402	0.9
205.03513	5.1
205.05246	0.6
206.03925	2.9
214.24986	0.4
221.11990	0.6
223.04584	9.4
224.04938	7.4
225.05101	0.7
233.04445	2.3
237.04024	0.6
277.03488	5.7
278.03824	0.4
315.37311	0.3
318.14551	0.4
319.04675	2.9
332.48257	0.4
337.05554	2.3
365.14618	1.0
400.05191	1.9
400.09808	0.9
401.10397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03450	38.5
58.03774	0.6
59.01380	24.6
61.98824	2.2
69.49243	1.0
69.49654	2.5
71.01382	10.3
72.99309	1.4
73.02940	3.0
75.45577	0.5
81.03461	0.8
83.01373	3.0
85.02948	15.3
87.00880	1.0
89.02448	2.3
93.03460	100.0
94.03794	2.5
95.01387	0.7
96.96018	2.2
99.00880	1.5
99.04517	26.3
100.04834	0.6
101.02451	12.2
103.00414	0.6
111.00915	1.2
112.77625	0.6
113.02444	2.6
115.00362	0.8
119.03539	0.6
125.02444	14.8
129.01955	2.2
133.01486	1.0
133.89752	0.5
134.03748	4.5
134.04686	0.6
143.03502	2.3
147.03001	0.8
149.06067	0.9
150.39641	0.5
161.04562	6.1
173.00940	1.0
175.03998	1.0
177.05659	0.6
179.03528	0.7
180.04291	6.0
181.04689	0.6
191.01981	5.4
193.05052	6.4
193.08723	0.8
195.06601	5.7
195.10358	0.9
203.05617	1.7
205.03491	1.2
219.10196	0.8
223.04599	5.2
251.11386	2.6
255.08752	1.9
261.07721	0.7
283.11472	0.6
297.09790	1.7
323.07541	0.7
337.12805	0.6
362.44632	0.6
367.06653	0.8
399.09445	2.6
399.13214	2.5
399.19949	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	3.9
60.70432	3.6
65.06377	3.1
69.60945	16.0
69.61349	6.9
71.01384	15.3
72.99335	3.9
85.02966	3.2
101.83872	4.0
115.00374	48.2
133.00476	6.6
133.01431	100.0
143.42207	4.3
145.28067	3.7
186.53578	3.7
265.09146	7.4
319.04617	3.7
390.50848	3.5
422.93781	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.7
57.03450	18.9
57.50874	1.0
59.01378	8.3
60.50373	1.2
63.17831	1.1
69.57107	7.2
69.57468	1.1
71.01374	8.0
72.99317	1.5
73.02924	2.7
75.00855	1.8
83.01395	7.4
84.02171	1.9
85.02948	79.4
86.03304	1.2
87.00861	1.5
89.31190	1.3
95.46897	1.0
98.20605	2.2
99.04510	4.7
101.02439	8.5
111.00875	31.3
120.12957	1.3
125.02443	1.8
129.01936	28.9
134.03741	9.8
137.09683	3.0
143.03513	1.2
147.02963	3.3
161.04558	2.6
168.03758	1.2
175.29799	1.1
187.02422	2.6
193.05045	3.7
195.06599	3.2
205.03508	29.5
223.04582	100.0
224.04869	3.0
355.94992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90662	0.9
55.01859	3.1
57.03448	19.1
58.05737	0.9
59.01382	2.0
62.38053	0.8
69.50961	5.4
71.01381	5.8
72.99320	1.6
73.02938	1.9
75.00850	1.7
80.85574	0.8
83.01395	10.6
84.02145	2.4
85.02950	100.0
85.38014	0.7
86.03275	1.8
99.00851	1.1
101.02457	4.3
106.16281	0.7
111.00879	24.3
112.19855	0.9
129.01950	42.0
130.02258	1.4
134.03745	13.4
137.02428	1.1
161.04518	2.9
173.74161	0.9
178.02718	1.2
179.05560	0.9
182.57285	0.9
187.02405	1.3
193.05048	11.0
195.06529	1.0
205.03520	22.2
206.03809	1.0
223.04578	18.8
334.32407	1.0
399.09265	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.7
57.03448	18.6
59.01367	1.7
61.98831	8.8
64.35384	0.8
65.32685	0.9
67.01911	1.3
67.79003	0.8
68.99799	1.3
69.73920	5.2
71.01376	6.0
72.99304	2.2
73.02950	3.3
75.00869	1.9
83.01386	11.0
84.02130	2.1
85.02948	100.0
86.03297	2.1
99.00890	1.1
101.02444	4.7
111.00874	28.9
129.01939	41.6
130.90564	0.8
134.03748	12.2
149.06017	0.9
160.01674	1.5
161.04520	2.2
178.02715	0.9
187.02440	2.7
193.05048	6.9
205.03520	28.3
223.02507	1.8
223.04585	23.1
237.87653	1.0
258.35696	0.9
399.09354	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85134	0.6
53.01962	0.6
54.57164	0.6
55.01873	2.8
57.03451	14.3
59.01387	4.0
61.98830	49.7
67.01881	1.1
68.99799	0.8
69.16024	6.8
69.70001	0.7
71.01385	7.7
72.99306	1.8
73.02955	1.6
75.00877	2.2
77.14111	0.6
79.94070	0.7
81.93147	0.7
83.01392	7.5
84.02167	1.6
85.02952	76.8
86.03298	1.9
87.00873	2.0
92.53171	0.7
98.20098	3.3
99.00916	0.8
101.02438	7.4
102.25383	0.7
103.03979	1.4
111.00887	30.9
112.01230	1.0
115.00386	0.9
129.01947	31.2
130.02303	1.3
134.03745	9.0
147.02982	3.0
149.06087	1.6
161.02495	1.2
161.04547	2.4
169.48013	0.7
177.01932	1.7
180.84904	0.7
187.02521	2.5
193.05107	4.4
193.06575	0.7
205.03529	31.9
206.03845	0.8
223.04581	100.0
224.04892	4.4
230.15112	0.8
233.04544	0.9
237.04063	1.0
277.03436	4.3
277.40640	0.7
319.04803	1.6
337.05685	2.9
399.09152	1.0
400.05246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29273	0.4
55.01870	1.2
57.03450	4.8
59.01365	1.2
61.98830	2.0
69.23941	0.7
69.24349	3.1
71.01390	1.4
72.99297	0.6
73.02971	0.7
75.00893	0.8
79.95730	3.1
80.96532	0.9
83.01375	2.2
84.02139	0.6
85.02947	23.1
86.03294	0.8
88.98808	0.5
95.95226	34.0
96.96006	100.0
101.02442	1.5
108.02089	0.4
110.43816	0.4
110.97607	0.8
111.00871	7.0
117.03485	0.4
123.04488	1.1
128.30658	0.4
129.01941	8.3
134.03760	2.6
137.02437	0.7
147.02992	1.0
149.02422	0.9
149.06090	0.4
151.03998	3.6
160.28311	0.4
191.01924	0.6
193.05031	1.2
205.03517	6.5
223.04573	8.4
230.99709	2.6
241.05026	1.0
242.14731	0.4
250.71832	0.4
271.09830	1.0
281.92102	0.4
399.07462	46.2
400.07697	5.0
400.12085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
57.03448	1.1
59.01368	0.5
61.98830	100.0
69.91879	0.9
69.92284	0.6
71.01376	0.6
77.24708	0.2
83.01402	0.8
85.02947	6.3
86.27900	0.2
98.19864	0.3
109.70408	0.3
110.30699	0.3
111.00892	2.0
129.01942	3.0
131.71893	0.3
134.03754	0.9
184.23572	0.2
193.05074	0.3
205.03511	2.0
223.04582	3.1
303.88318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
57.78016	0.7
59.01377	17.6
61.98848	2.0
71.01375	5.1
71.54366	1.0
73.02966	1.1
78.95908	2.4
83.01385	1.0
85.02949	2.7
87.00884	0.9
87.04498	1.2
89.02447	1.8
96.96030	1.1
101.02442	2.5
113.02435	3.5
120.99689	4.6
130.08653	1.1
135.04527	15.4
136.04825	0.9
144.75607	0.7
151.11432	0.8
152.99577	3.7
155.08385	0.9
163.04004	96.8
164.04327	3.8
178.06343	77.1
179.06668	2.7
193.08687	100.0
194.09010	5.2
253.18054	1.2
265.09100	0.9
293.10138	0.8
375.31937	0.7
397.22528	4.2
417.21973	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.9
59.01379	25.1
60.01722	1.7
60.99303	0.7
61.98831	100.0
68.87150	0.5
69.42273	2.7
71.01382	3.9
72.38537	0.5
72.99329	0.6
73.02953	2.3
80.96531	0.6
83.01399	1.2
83.05047	0.6
85.02959	7.7
88.98803	2.7
89.02454	2.0
96.96022	5.3
98.19980	1.5
98.20660	1.2
99.00884	0.7
99.04529	0.7
101.02445	3.9
111.18600	0.5
111.94377	0.5
113.02470	1.4
119.03491	1.3
120.99682	1.0
129.01959	0.6
134.03749	4.7
137.02455	1.0
143.03477	0.7
147.03078	0.8
149.06142	1.1
154.37857	0.5
160.10603	0.7
160.25392	0.6
161.04575	1.7
164.08344	0.7
178.02766	3.2
185.03903	1.5
193.05035	8.2
223.06123	1.1
233.04681	0.5
291.12744	0.7
397.11038	0.8
397.15500	1.7
397.22495	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.1
59.01381	100.0
61.98815	3.8
69.16001	8.8
71.01379	20.5
72.99314	2.3
73.02940	4.6
83.01394	3.8
83.04933	1.0
85.02950	15.8
87.00883	1.2
89.02451	6.5
93.33732	0.8
95.01373	1.6
96.95997	2.2
99.00882	2.9
101.02442	16.8
101.06100	1.4
103.04019	14.7
104.04355	1.0
113.02477	8.9
119.03510	1.7
131.05084	1.7
133.06633	2.0
143.03493	1.1
147.04532	24.6
148.04887	1.1
159.03008	2.4
161.04553	15.3
161.06071	17.0
162.06328	1.6
169.45425	0.9
189.05568	4.7
251.16553	1.9
274.97809	0.9
303.79349	0.9
335.13959	1.9
335.20752	43.4
336.21188	4.0
377.19681	1.0
395.13425	33.5
395.20807	6.2
396.13751	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	395.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84221	1.0
55.01857	1.1
55.75375	0.9
57.03446	68.9
58.03785	1.0
59.01378	100.0
63.19146	0.9
71.01379	19.6
71.52232	1.7
72.99303	3.2
73.02945	7.2
75.00859	1.4
78.95891	1.1
81.03466	1.0
83.01398	2.2
83.05032	2.1
85.02950	9.5
87.00896	2.0
89.02437	10.6
95.01366	1.6
96.96972	1.3
99.00858	3.5
99.01469	1.1
99.04516	63.4
100.04843	1.7
101.02438	31.6
103.03979	1.3
111.04511	3.7
113.02425	8.2
119.03475	3.5
125.02438	28.0
126.02784	1.2
133.01428	1.5
143.03487	3.1
153.09210	2.4
155.07158	1.3
157.01285	1.1
159.02989	1.7
161.04556	9.4
171.10275	4.9
173.08199	3.5
197.08185	1.9
203.05588	3.9
210.76376	1.1
215.09207	17.8
233.10188	1.5
251.11363	29.4
252.11937	1.6
293.12360	8.4
305.97250	1.1
309.02710	1.3
333.15421	2.3
335.13443	12.2
395.09988	8.2
395.15482	22.0
396.15866	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	395.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	100.0
58.03784	1.4
59.01381	89.7
61.98833	4.5
63.97083	1.4
65.59530	1.4
69.69285	3.1
69.69696	6.0
71.01384	17.0
73.02956	10.3
78.20103	1.3
83.01382	4.7
85.02942	10.5
89.02463	4.5
95.01391	2.0
99.00908	3.2
99.04523	77.2
100.04881	2.8
101.02445	36.5
101.03103	2.4
113.02463	9.5
119.03513	2.2
125.02441	18.4
133.56187	1.5
143.03479	2.7
147.06650	3.2
161.04526	10.9
198.59639	1.5
226.55945	1.4
227.92696	1.3
251.11375	25.7
293.12375	4.0
297.22382	1.4
335.17218	4.3
395.14908	8.0
395.19562	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	395.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67086	0.9
57.03439	3.0
59.01381	52.9
61.98825	3.7
64.07810	0.8
65.47080	0.7
70.86806	2.4
71.01376	10.2
73.02944	2.2
75.14719	0.8
82.77891	1.0
83.05032	7.5
85.02958	7.9
87.00912	0.8
89.02452	7.5
95.01403	1.5
99.00886	0.9
99.04510	2.7
99.08131	4.0
101.02449	9.5
103.66849	0.8
108.99706	0.9
113.02440	4.8
115.04003	7.4
118.98297	0.8
119.03506	1.7
129.09210	1.0
157.15126	0.8
161.04613	5.2
173.08186	40.9
174.08562	1.5
192.94907	1.0
251.11348	1.3
314.12512	0.8
335.13455	100.0
336.13873	9.7
378.78662	0.8
408.26016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95350	1.1
55.01878	2.7
57.03448	100.0
59.01378	98.0
59.01600	1.6
59.01690	1.9
64.15656	1.1
70.26694	1.6
70.27046	4.0
71.01380	27.6
73.02942	9.8
81.03494	2.4
83.01382	4.2
84.09091	1.2
85.02952	11.1
89.02442	5.4
95.01356	2.0
99.00901	5.3
99.04516	84.4
100.04855	2.8
101.02438	48.2
113.02443	12.9
119.03545	1.5
125.02450	35.0
126.02776	1.5
143.03473	4.9
159.02965	3.7
161.04543	20.3
165.76117	1.2
233.10265	3.9
251.11342	56.8
252.11609	3.6
293.12405	15.7
333.15451	3.8
347.44781	1.4
388.35266	1.2
395.15457	14.5
395.19846	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	395.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64639	0.8
55.01863	1.2
57.03451	4.4
59.01378	58.0
59.42237	0.9
59.59258	0.9
61.98848	0.9
69.48063	5.9
69.48463	1.5
71.01380	22.0
73.02924	2.7
76.10384	0.9
81.97681	0.8
83.01380	1.3
83.05023	4.2
85.02936	5.9
89.02446	18.1
95.01368	1.0
99.04507	2.5
99.08120	1.4
101.02439	15.7
103.04003	1.0
111.08127	3.3
113.01870	0.8
113.02460	8.5
115.04028	2.0
119.03497	9.2
125.02425	1.6
147.09790	1.0
154.35817	0.8
161.04576	6.8
173.08186	21.0
179.05600	2.1
268.03516	0.9
335.13452	100.0
336.13715	5.2
395.15463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
65.57841	49.2
88.90695	45.2
95.04584	45.2
98.20739	100.0
102.16465	44.5
275.17368	48.7
291.41171	45.7
366.31708	54.4
389.98117	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1346
Annotation	Hirsutolide
Peak:m/z	Relative Intensity
57.03445	4.0
58.00564	0.9
59.01385	18.5
61.20337	0.6
61.98817	2.0
64.37971	0.8
66.85562	0.6
71.01382	9.8
71.05026	0.8
72.99310	0.7
73.02942	1.1
83.01396	0.7
85.02950	25.3
85.03470	1.2
87.00877	1.0
88.62560	0.7
89.02439	2.3
96.96007	0.6
98.20766	1.3
99.04523	1.7
101.02446	3.6
103.04013	40.8
103.05511	2.5
104.04379	0.8
108.80344	0.7
113.02454	1.6
115.05530	2.3
117.05530	0.6
119.03507	0.7
119.04996	1.6
120.05354	0.7
131.05026	5.1
133.06575	2.5
142.55618	0.6
144.57739	0.6
145.05054	0.8
145.06599	2.1
147.04529	83.1
148.04880	2.5
161.06084	52.9
162.06419	3.0
187.07674	0.8
189.05574	13.2
190.06088	0.8
219.06680	0.8
229.02007	0.6
247.08188	1.8
335.13495	0.8
335.20746	2.8
395.13449	100.0
396.13770	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	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.01380	100.0
60.01708	1.5
61.53201	0.9
61.98835	1.8
65.22810	0.9
69.38922	1.7
69.39324	4.9
71.01374	3.5
83.05009	2.2
85.02940	3.8
87.93644	0.9
89.02455	1.6
96.96017	1.8
99.00861	1.1
99.08155	1.4
101.02449	2.9
113.02440	2.6
116.07154	2.3
120.99649	2.9
129.01952	1.6
132.67502	0.9
145.08698	3.2
163.11281	2.1
165.12802	1.4
191.10802	1.0
192.70517	1.0
209.11821	97.5
210.12140	6.5
212.04768	0.9
227.12854	4.2
243.29202	0.9
246.09586	1.1
247.10182	1.4
251.08244	1.1
393.18628	3.0
393.24832	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.8
57.03446	1.9
58.00592	0.9
59.01380	100.0
60.01722	0.7
61.98835	1.4
69.27929	4.4
71.01381	21.8
72.99319	1.9
73.02948	6.2
74.99117	0.9
75.00867	0.6
83.01395	3.0
85.02949	9.1
87.00867	1.2
87.04501	0.6
89.02448	10.3
95.01403	2.0
96.96021	5.5
97.02956	0.7
99.00898	2.1
101.02439	14.3
103.04028	1.5
105.30415	0.5
111.04517	0.5
113.02448	10.5
113.03159	0.8
115.07688	0.6
119.03501	3.6
120.99698	0.7
122.16090	0.4
125.02454	0.7
129.01913	0.5
135.88365	0.5
143.03529	1.6
145.08723	0.6
151.11139	0.5
153.24452	0.5
159.03008	0.9
161.04572	5.7
169.12320	2.5
171.10324	0.7
179.05775	0.6
189.14946	7.0
192.40622	0.5
195.10271	0.6
213.11412	2.1
231.12509	1.3
241.00296	2.3
265.09253	0.9
271.12463	0.5
307.10544	0.8
333.19174	10.6
333.22845	0.8
334.19370	0.7
347.29449	0.6
351.20242	26.3
352.20786	2.1
357.15610	2.4
393.08664	3.2
393.17593	3.1
393.22076	4.2
394.22000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.9
58.00581	0.8
59.01378	51.4
69.03440	1.0
69.19860	3.9
69.20296	2.7
71.01382	18.9
73.02946	27.8
83.01385	11.8
85.02953	26.3
85.03474	1.7
87.00869	1.5
87.04510	0.8
89.02450	8.4
95.01363	1.4
97.02911	0.7
99.00856	1.0
99.04549	1.7
101.01801	1.6
101.02441	22.6
101.06035	0.9
103.04015	48.8
113.02457	8.4
115.53522	0.6
117.05611	0.9
119.03515	3.8
131.03482	1.3
143.03505	1.3
145.05045	2.0
145.08704	23.7
149.04524	0.9
155.03484	0.9
161.04559	2.0
167.84689	0.7
187.09796	1.8
189.14836	0.7
232.56242	0.7
247.08189	5.6
265.09277	27.1
266.09607	1.2
275.78833	0.7
307.10330	56.5
308.10571	4.0
351.20343	1.3
375.16647	1.7
393.17651	100.0
394.18018	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	393.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67965	1.3
55.01871	1.3
57.03161	2.0
57.03452	53.6
59.01382	100.0
71.01382	21.2
72.99310	1.4
73.02941	13.0
81.03448	1.8
83.01376	3.8
83.05021	4.8
85.02955	13.6
87.00871	3.2
87.04488	2.5
89.02447	5.6
90.64656	1.3
98.19832	1.7
98.20528	6.3
99.00890	2.0
99.04527	59.9
101.02441	24.2
101.06068	3.5
103.03983	2.9
106.54216	1.3
113.02467	9.4
119.03488	2.4
125.02450	25.5
125.06002	1.3
135.85733	1.2
143.03474	3.5
145.05092	10.6
159.02974	1.8
159.06644	4.1
161.04585	10.9
191.01974	1.4
213.11215	1.6
231.08713	1.6
249.09787	20.2
265.09250	2.7
291.10861	8.4
307.10327	1.2
331.14066	1.8
338.77664	1.2
393.13129	11.9
393.18387	13.5
394.18106	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	393.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78421	0.7
55.93030	0.6
57.03445	2.2
58.87016	0.7
59.01379	39.7
60.01728	0.8
61.98825	0.8
63.29646	0.5
70.91300	0.7
70.96073	0.6
71.01382	7.4
72.99291	1.0
73.02945	1.5
74.99100	0.6
81.03452	5.3
83.01414	1.1
83.05027	40.8
84.05363	0.9
85.02954	8.4
87.00881	1.2
89.02444	4.8
95.05026	2.0
97.02984	0.8
97.06616	1.2
99.04522	0.8
101.02438	7.0
101.06080	25.2
103.04011	21.9
107.05011	1.7
108.02213	0.6
109.02939	3.4
113.02460	3.6
119.03495	1.5
120.99641	0.7
123.04504	1.0
125.06087	16.8
127.04002	6.8
129.01921	0.7
141.05571	3.6
145.05066	100.0
146.05406	2.6
159.06688	1.1
161.04503	1.0
169.05067	17.6
179.05525	0.7
186.06828	3.8
187.06105	3.8
192.02968	0.8
195.06667	0.8
217.07176	2.1
247.08237	7.4
265.09271	15.7
266.09659	0.9
295.00668	0.7
307.10364	6.1
326.04410	0.7
333.15521	1.2
375.12683	1.5
393.13974	85.6
394.14288	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	392.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01540	0.5
58.95302	0.5
59.01385	1.8
61.98829	100.0
69.15641	0.8
69.15993	5.5
93.85019	0.5
95.81796	0.6
215.97394	0.5
219.90866	0.5
223.42558	0.5
308.52167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1716
Annotation	Acetylgynuramine
Peak:m/z	Relative Intensity
57.03449	9.9
59.01381	28.5
60.01189	0.8
61.98825	2.0
63.48917	0.7
65.62790	0.8
68.24702	0.7
69.03455	0.7
69.40000	5.1
71.01388	7.1
72.99287	0.7
73.02942	3.7
80.01254	0.7
83.01379	0.8
84.04540	2.7
85.02943	3.9
87.00866	1.3
87.75777	0.8
89.02483	1.7
99.00890	0.8
99.04514	6.9
100.04050	2.0
101.02436	6.4
102.05606	56.9
103.03996	1.4
105.07086	0.8
107.87006	0.7
108.04543	2.6
109.02930	2.6
109.41383	0.7
110.06120	3.3
111.04488	0.7
113.02455	2.6
113.06084	0.9
119.03478	0.7
120.99603	0.8
121.06587	0.8
125.02424	2.3
125.06117	4.0
128.03543	20.8
135.04561	0.9
135.08202	0.9
136.05257	3.5
137.09695	0.7
138.06802	0.8
139.07703	3.3
146.04625	5.5
148.05244	1.2
149.06044	1.7
151.07648	4.3
152.08408	2.8
153.09245	1.6
159.11826	0.9
161.04472	1.0
162.09221	1.0
163.07632	1.1
163.11256	1.0
165.05522	0.7
165.09184	1.4
167.07243	0.7
175.07693	0.8
185.09802	0.9
187.11253	1.1
189.09262	0.9
201.12839	7.3
202.10027	0.9
203.10756	4.4
204.11549	5.2
215.42992	0.7
219.13918	8.4
220.14047	1.0
230.09325	1.4
242.30841	0.6
244.13377	2.4
245.11829	6.1
249.13429	2.7
255.11719	0.8
263.12872	5.4
302.17688	0.9
325.43176	0.6
333.15665	1.1
341.22742	0.7
348.18143	5.3
374.16058	8.8
374.20361	0.9
375.16418	1.3
392.17096	100.0
393.17416	10.8
393.21350	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	391.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88118	0.7
57.29845	0.7
58.29766	0.7
59.01381	100.0
60.01698	0.9
61.98827	3.9
71.01422	0.7
77.36702	0.7
92.48798	0.7
96.96018	1.6
98.19908	1.2
109.11706	0.7
217.00378	2.5
232.08102	0.8
384.72488	0.8
391.18063	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93082	0.6
57.03453	5.5
59.01379	26.4
61.98830	100.0
71.01382	7.8
71.52488	0.6
72.99321	1.0
73.02961	2.0
75.00860	1.2
80.91673	0.6
83.01383	1.2
85.02959	4.1
85.39728	0.6
87.00871	1.4
88.98808	2.9
89.02438	5.4
90.98613	1.3
96.96028	0.8
97.02943	0.8
99.00919	0.7
99.04515	5.1
101.02438	5.9
109.02938	0.6
113.02489	2.5
114.90085	0.5
119.03522	2.4
123.04538	1.1
125.02459	2.6
143.03499	0.6
144.04552	0.9
149.02441	1.0
150.03264	0.7
151.04036	0.7
151.07686	2.2
153.05659	0.8
161.04555	3.1
161.05826	0.7
165.05550	1.0
179.05652	1.3
195.06696	1.1
200.94339	0.6
201.40633	0.6
213.07779	0.9
231.06776	1.0
249.09872	1.7
265.09314	1.3
275.64169	0.6
300.91245	0.7
333.11920	1.0
392.16367	1.5
393.04999	1.1
393.13983	2.3
393.17859	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	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24379	0.5
57.03446	0.8
59.01376	100.0
60.01707	1.0
61.98822	0.6
69.41293	1.0
69.41699	2.6
71.01376	6.3
71.01730	0.6
72.01700	0.5
72.99284	0.4
73.02941	2.4
74.99098	0.5
79.88622	0.5
83.01384	1.0
85.02946	3.6
87.00884	0.5
89.02440	5.2
91.32422	0.5
95.01391	0.8
96.96030	0.7
98.19902	0.8
99.00883	0.6
99.04500	0.8
101.02442	4.3
103.04044	1.0
113.02451	3.8
113.30678	0.5
119.01723	0.9
119.03487	2.4
134.04738	1.6
136.99106	0.9
143.03517	0.8
143.07129	0.5
161.04573	4.2
179.05589	0.9
191.05736	0.4
265.09344	1.3
278.15762	0.5
295.30835	0.5
312.33484	0.5
319.21381	1.1
331.17673	2.7
342.57089	0.5
349.18515	1.1
391.16013	2.1
391.20197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12818	0.5
55.01876	0.5
57.03448	2.1
58.00587	0.8
59.01378	100.0
60.01706	1.2
61.56632	0.4
61.98839	3.0
69.03458	0.8
71.01378	15.7
71.05043	0.6
71.05457	1.0
72.99284	1.2
73.02943	6.3
74.99104	1.4
81.03469	0.4
83.01395	2.5
85.02942	6.8
87.00875	1.1
89.02440	8.3
95.01393	1.3
95.05031	0.5
96.96033	0.9
99.00887	1.1
99.04534	1.4
101.02437	12.1
102.70322	0.4
103.04034	1.3
113.02450	9.6
113.06069	0.6
119.03491	3.4
120.99648	1.7
125.02482	0.8
129.01961	0.9
135.04552	0.8
136.01717	1.5
136.99158	1.3
143.03508	1.1
143.07127	1.2
147.02980	0.9
149.04597	0.7
151.04074	0.9
161.04514	3.6
169.08745	0.5
179.05659	0.8
187.13310	3.5
195.55212	0.5
198.41290	0.5
254.08359	0.5
265.09332	3.3
271.15564	1.4
281.05634	0.7
297.08765	3.0
303.12766	0.5
315.09756	1.1
319.17761	0.7
329.11426	1.9
331.17551	4.6
341.08261	0.6
347.18594	0.6
349.18683	7.5
350.19202	1.0
359.08765	0.7
372.66379	0.6
373.10562	0.7
373.53879	0.5
391.15338	3.1
391.19983	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03447	18.9
58.00588	1.5
59.01377	100.0
60.01711	0.8
69.03465	1.4
69.32038	5.9
71.01378	37.4
71.75854	0.7
72.99315	1.8
73.02944	34.2
74.03282	0.8
75.00861	1.2
83.01385	13.9
85.02946	37.7
86.03271	1.0
87.00878	2.0
89.02441	16.6
95.01388	2.3
96.96004	2.0
97.02983	1.3
99.00890	3.0
99.04512	11.5
101.02442	39.1
102.02835	0.8
103.04010	52.0
103.26165	0.8
104.04328	1.1
111.00885	1.2
113.02442	15.0
117.05550	1.2
119.03490	7.3
125.02441	4.9
131.03529	1.6
143.03494	2.8
143.07124	11.1
145.05029	3.1
155.03490	0.7
159.02977	1.4
161.03465	0.9
161.04561	10.6
179.05643	1.0
194.52902	0.8
247.08257	6.1
247.11836	2.2
265.09271	20.2
266.09546	1.4
307.10321	74.5
308.10632	3.9
310.56827	0.8
331.17502	1.2
349.18527	3.6
373.14856	1.0
391.15952	52.5
391.23563	13.5
392.16312	5.2
392.23779	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11131	0.5
55.01867	0.6
56.68475	0.5
57.03447	22.0
58.29026	0.5
58.50706	0.6
59.01381	100.0
60.01706	1.3
61.98830	2.4
63.96248	1.0
71.01382	17.3
71.37983	0.6
72.99321	2.4
73.02958	4.1
73.03300	0.6
74.99110	1.5
78.95881	0.8
79.90272	0.5
83.01398	2.5
85.02956	14.8
87.00887	1.6
89.02451	9.4
95.01400	1.9
96.96017	2.8
99.00918	1.7
99.04518	17.4
99.08163	4.4
101.02442	17.3
103.04012	13.4
111.00906	0.7
113.02445	6.8
119.03473	3.7
120.99671	1.6
123.08186	2.6
125.02435	5.7
125.06102	4.2
125.09746	0.6
125.77511	0.6
134.04745	1.7
135.04558	1.1
135.98413	1.6
136.99179	1.0
139.12222	0.6
143.03493	1.4
143.07132	4.5
145.05109	0.7
157.08733	1.1
159.02910	0.9
161.04541	5.3
167.07162	1.1
167.10751	0.9
179.05667	1.0
185.08203	0.8
211.09857	1.2
211.13383	1.4
229.05135	1.2
229.14456	0.8
247.11816	3.7
265.09305	21.7
266.09677	1.4
289.13071	0.7
331.17590	5.2
349.18854	2.2
391.16116	24.7
391.19931	13.7
392.16464	2.2
392.20651	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76114	1.0
59.01382	100.0
69.99566	1.0
80.89178	1.1
108.23276	1.2
122.62949	1.1
235.54260	1.3
351.87567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35878	1.0
59.01380	100.0
60.01702	1.0
61.98826	5.2
69.37582	6.2
69.37993	2.1
85.02931	1.5
117.18121	0.9
145.02982	2.2
146.03264	1.0
233.98714	0.9
337.88275	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01709	1.3
61.98832	1.4
70.74494	0.8
70.74822	0.4
85.02985	0.5
91.59685	0.4
138.36858	0.4
184.99196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.0
61.98829	100.0
69.56716	3.2
71.01392	1.2
72.97403	0.6
76.28600	0.5
77.88081	0.5
98.20689	0.9
113.02489	0.9
146.89459	0.5
165.06786	0.5
257.12857	0.8
266.41776	0.6
334.72223	0.6
349.17200	0.6
350.55362	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22479	25.7
59.01372	100.0
61.98813	89.3
70.83120	42.6
80.96503	50.5
133.53523	26.9
142.90938	27.1
197.11710	35.4
206.84885	25.9
213.66223	26.8
222.09473	29.0
230.75008	32.5
233.68552	28.6
255.23288	28.6
350.04865	26.2
389.19211	36.2
389.69370	50.7
390.19888	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	389.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	85.6
61.98829	58.3
69.73357	100.0
69.73771	48.0
70.73006	25.0
74.75877	25.7
98.19978	40.9
100.67205	29.1
176.14816	24.5
182.71407	30.1
245.23805	25.9
252.20560	24.7
277.13272	25.3
344.15884	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	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01706	0.9
61.98833	1.0
69.70184	1.7
69.70596	0.9
71.40435	0.4
80.96554	0.5
104.23235	0.4
116.43341	0.4
121.33135	0.4
135.63617	0.4
142.25687	0.4
142.27763	0.4
193.24435	0.4
255.23308	0.5
331.64804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.0
57.97875	0.4
59.01381	9.6
61.98824	1.6
66.75463	0.3
67.22208	0.3
71.01383	13.1
72.99306	0.4
73.02944	1.0
80.96503	0.4
83.01402	0.5
85.02959	2.6
85.06604	3.4
87.00873	0.5
89.02430	0.8
97.06614	0.3
101.02444	2.0
111.04477	0.3
113.02446	1.3
115.00379	5.9
119.03460	0.4
120.99688	0.4
121.02952	0.7
127.11285	5.6
129.01877	0.3
133.01399	0.9
135.04568	0.4
143.10750	0.7
147.41443	0.3
155.14444	1.0
161.04518	0.4
165.12804	1.0
167.03369	0.4
183.13928	2.3
185.06116	0.8
191.01936	0.5
209.04491	0.4
209.11856	0.7
213.18527	0.6
227.06847	0.3
227.12886	4.0
255.19629	1.1
273.20706	100.0
274.21054	7.9
329.23364	3.7
330.23831	0.3
389.16019	0.8
389.20529	1.8
389.25482	6.1
390.25833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75727	0.6
55.01882	1.0
57.03445	1.3
58.00591	0.9
59.01381	68.5
63.92528	0.6
65.00330	1.3
69.03425	0.9
70.21577	2.1
71.01384	32.4
72.99321	1.4
73.02948	37.4
73.37283	0.6
83.01385	10.6
85.02947	7.3
87.00880	1.9
89.02444	8.3
95.01397	1.2
96.96017	2.0
97.02938	2.3
99.00875	2.1
100.93357	0.9
101.02441	33.5
101.89094	0.6
107.05048	1.0
109.06596	3.2
113.02450	9.5
115.92068	4.0
116.92861	6.3
119.03512	3.0
125.02384	1.2
131.03548	1.9
135.04581	5.1
141.09227	3.4
143.03470	2.4
146.49191	0.8
147.57973	0.7
149.04570	0.9
151.07678	0.7
153.05594	3.5
159.02971	0.8
161.04578	5.4
162.42635	0.7
166.06369	2.2
167.07146	11.6
167.10777	15.6
168.11119	1.4
180.89038	5.5
185.11803	13.6
186.75838	0.7
209.08147	6.0
227.07077	2.1
245.27551	0.6
255.19464	0.9
257.17731	1.1
264.58127	0.6
277.63034	0.7
289.11121	1.3
303.18167	2.3
317.19751	1.5
329.15976	9.5
347.17117	24.1
347.21426	1.2
348.17416	2.1
389.18149	100.0
390.18417	10.1
390.22974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37458	0.6
52.84369	0.5
55.01872	2.4
57.03447	12.3
59.01376	6.7
68.99818	0.7
71.01384	3.9
71.40555	0.9
72.99311	1.3
73.02956	0.6
75.00877	1.2
83.01377	2.5
84.02162	2.3
85.02947	100.0
86.03282	2.0
87.00893	0.7
89.02457	0.7
100.88102	0.6
101.02448	0.7
103.00354	1.5
111.00887	3.8
114.22266	0.6
115.00365	0.6
121.02948	2.9
128.55186	0.5
129.00987	0.6
129.01953	11.0
144.76256	0.5
145.01501	0.6
147.02995	16.2
153.05588	1.6
173.00949	1.5
191.01959	23.5
192.02348	0.9
197.04539	4.1
209.02995	9.7
222.73705	0.5
293.73090	0.5
302.53793	0.6
389.07263	2.2
390.07147	0.7
405.27795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45973	0.6
55.01857	1.3
57.03433	1.9
57.38332	0.6
58.33717	0.5
59.01379	75.8
60.01695	1.3
61.78806	0.6
61.98796	0.5
67.56739	0.5
69.03447	1.0
71.01012	1.1
71.01379	14.9
72.99302	1.6
73.02943	6.4
75.00862	0.7
83.01386	3.5
83.04982	0.8
85.02954	9.7
86.00111	0.8
87.00875	2.1
89.02441	7.1
91.03094	0.6
93.54893	0.5
95.01357	2.1
96.96043	0.9
97.02929	1.4
97.06590	0.8
98.19916	1.2
99.00878	2.9
99.60870	0.6
101.02444	14.3
111.00878	0.8
112.04122	0.5
113.02449	9.2
115.07633	0.9
116.92770	0.6
119.03493	2.8
123.00858	0.8
123.08192	0.8
125.02401	1.9
134.03732	1.1
135.98369	0.7
137.02466	0.7
137.09673	0.6
143.03424	1.6
149.09702	0.7
150.03180	0.7
161.04607	3.2
163.11278	1.1
165.05600	0.6
165.09213	0.7
166.02705	4.0
167.03409	1.1
167.10760	1.4
177.05569	0.8
178.04720	0.6
179.14354	2.2
185.12000	0.7
193.04932	0.9
209.11821	1.0
209.15427	0.8
219.06508	0.9
227.12723	0.9
235.06023	0.6
239.16597	0.6
243.16071	1.4
245.17546	5.6
269.17450	0.7
293.06592	0.9
311.18573	1.7
312.18625	0.8
313.08246	2.1
329.08893	2.9
329.16000	2.1
347.16730	0.7
353.08704	1.9
371.16956	1.1
389.18069	100.0
390.18423	8.3
390.22675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
56.71558	0.6
57.03449	12.9
59.01373	6.4
66.28346	0.5
68.99807	0.9
71.01384	3.9
71.09137	1.1
72.99300	1.7
73.02941	1.0
75.00880	2.3
83.01366	2.4
84.02173	2.3
85.02950	100.0
86.03290	1.9
86.63422	0.6
87.00878	1.9
89.02463	1.3
101.02464	0.8
103.00386	1.7
111.00885	3.7
115.00383	1.1
121.02961	3.0
129.01944	9.5
133.01440	0.6
147.03001	15.1
153.04442	0.5
153.05562	1.8
173.00917	1.9
191.01970	22.2
197.04549	2.9
204.82297	0.6
209.03018	10.8
268.47632	0.6
389.06839	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
57.03448	11.7
59.01382	7.9
61.98824	1.9
68.99828	1.1
69.75369	1.9
69.75779	2.0
71.01380	6.5
72.99303	3.5
73.02948	0.9
75.00887	4.0
75.34316	0.6
83.01381	2.8
84.02190	2.9
85.02950	100.0
86.03309	2.0
87.00880	1.8
89.02443	1.5
95.94077	0.6
96.96027	0.7
101.02436	1.4
103.00350	1.4
111.00876	6.1
115.00356	1.6
121.02974	3.0
129.01944	7.6
145.01392	0.6
147.02994	16.3
153.05565	1.7
163.02510	0.7
173.00909	1.5
191.01973	26.3
197.04555	4.3
203.90730	0.6
209.03000	15.7
210.90274	0.8
306.62381	0.7
389.07263	2.0
389.11484	0.7
393.81436	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.4
61.98830	100.0
65.21835	0.8
69.14165	6.8
69.14582	2.0
79.95725	8.8
80.96521	1.3
85.02936	1.4
85.25250	0.8
96.96005	16.3
99.00887	1.6
389.12299	1.7
389.16483	13.4
402.01974	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35936	0.6
61.98833	100.0
69.69857	0.6
113.53917	0.5
129.92136	0.5
137.41225	0.5
161.08206	0.6
228.39513	0.5
244.85609	0.6
307.19144	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93741	0.3
59.01379	100.0
60.01717	0.9
61.98837	1.9
79.08450	0.3
90.14133	0.4
98.19825	0.5
106.71795	0.3
115.75740	0.4
119.05013	0.4
145.03003	1.3
152.16678	0.3
158.95612	0.3
224.63875	0.4
270.97156	0.4
272.48929	0.4
327.29187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
59.01386	2.6
61.98830	100.0
63.96225	0.6
65.36537	0.4
71.01385	0.9
71.52692	0.3
82.04452	0.4
83.13964	0.3
85.02951	4.1
86.03297	0.9
88.77251	0.4
89.02404	0.4
95.01415	0.4
97.10655	0.4
101.02455	0.5
116.22430	0.4
117.97313	3.8
120.05379	0.5
132.94464	0.4
138.05782	0.4
147.03108	0.7
147.07901	0.3
149.95767	0.3
153.05608	1.5
164.04366	0.5
175.87059	0.3
191.02037	0.8
193.02411	0.8
209.02979	0.5
209.08275	0.5
225.07779	0.4
298.03729	0.9
388.12790	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	40.0
61.98835	100.0
65.62833	33.2
71.53876	53.0
74.83530	36.9
105.73698	33.0
106.88363	41.6
286.96802	37.6
379.90002	33.1
387.25369	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	387.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.93250	0.7
60.01704	1.2
60.79480	0.7
61.98832	7.9
67.81437	0.7
69.66872	0.7
70.35923	2.8
72.27283	0.7
73.58318	0.7
78.37510	0.8
117.05904	0.7
125.28574	0.7
182.30869	0.7
207.04594	0.9
251.54868	0.9
253.21703	8.3
254.22003	0.9
308.30124	0.8
372.12112	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.0
55.79544	0.2
57.03446	2.9
58.00592	2.2
59.01381	53.7
60.01704	0.7
61.98842	0.2
67.81934	0.2
69.03446	0.4
69.73859	0.8
71.01383	36.2
71.05019	0.2
72.01714	0.6
72.99310	2.3
73.02943	6.0
75.00883	0.3
79.95741	0.3
81.03446	0.2
83.01384	4.1
84.02162	0.3
85.02953	12.1
86.03316	0.3
87.00874	2.3
89.02447	26.5
90.02775	0.5
95.01385	3.2
96.96014	13.2
97.02944	0.4
98.20477	0.5
98.95603	0.3
99.00877	2.0
101.02442	26.6
102.02800	0.6
109.06590	0.3
111.00888	0.6
113.02454	15.0
114.02786	0.4
119.03503	12.4
120.03808	0.3
123.08190	0.4
125.02441	0.4
129.01970	0.3
131.03522	0.9
134.03743	0.6
135.04504	0.2
137.09752	1.1
141.01974	0.2
141.74448	0.2
143.03508	1.6
149.04575	0.6
149.06029	0.2
151.04022	0.2
151.07703	0.6
151.11275	0.4
152.08438	1.0
152.15770	0.2
153.09273	0.2
153.12885	0.4
159.03018	1.1
159.04088	0.2
161.04556	3.5
161.05893	0.2
163.11305	0.4
177.12936	0.3
179.05560	1.5
179.06853	0.2
179.14503	0.4
180.98193	0.4
181.12396	0.4
193.05016	0.3
195.13887	1.2
197.15500	1.5
201.43694	0.2
207.13916	2.0
211.03316	0.2
225.14952	12.6
226.15292	0.8
241.00319	0.5
251.05699	0.2
266.07077	0.6
281.09378	0.8
284.06506	0.2
297.17133	0.2
298.05661	0.2
311.10452	0.2
315.18356	0.3
333.76675	0.2
351.07388	0.3
387.13345	14.0
387.20230	100.0
388.13644	1.1
388.20544	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	387.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49010	0.3
55.01875	7.8
57.03445	7.0
58.00591	3.3
59.01378	65.5
60.01713	0.6
61.98830	1.2
66.91004	0.3
68.99814	0.5
69.03458	0.8
71.01380	100.0
72.01717	1.8
72.99313	3.4
73.02945	32.9
74.03281	0.6
75.00882	1.7
81.03461	0.7
83.01386	16.3
83.05033	0.7
83.73097	0.3
84.01716	0.4
84.02170	1.0
85.02950	46.1
85.06590	0.4
86.03291	0.9
87.00879	4.9
89.02446	33.1
90.02785	0.4
95.01385	8.1
96.96012	5.9
97.02936	2.9
97.06569	0.7
99.00880	12.3
99.04486	0.5
101.02441	91.1
102.02824	1.8
103.04019	0.7
105.27519	0.3
109.02940	0.8
109.06644	0.7
111.00896	1.0
113.02447	43.7
114.02783	1.3
117.03448	0.9
119.03499	12.9
120.03796	0.4
120.99610	0.9
121.02953	1.1
123.08192	0.9
125.02427	2.7
129.01912	1.9
131.03497	1.6
134.03738	14.7
137.02406	0.5
137.09734	2.8
139.04059	0.5
143.03497	7.1
144.03873	0.4
146.03732	0.4
147.04547	0.9
148.05360	0.7
149.02492	0.6
149.04538	1.4
149.06044	1.1
149.09654	0.7
151.11295	1.9
153.01976	0.4
159.02995	10.3
159.04343	0.4
160.05269	0.4
161.04549	57.7
161.18561	0.4
161.38992	0.4
162.04868	2.0
163.03908	0.5
163.11296	0.5
165.05576	0.8
165.09148	0.4
165.12833	2.5
167.14413	1.7
167.58557	0.3
177.09167	0.6
177.12868	0.5
178.02655	0.9
179.05612	4.3
183.10289	2.3
189.12828	1.3
193.05048	8.1
193.08797	1.8
193.10164	0.4
194.05333	0.4
195.13925	1.9
197.15410	0.4
205.03563	1.3
205.12515	0.5
207.13925	1.1
225.14946	45.4
226.15297	3.5
242.35591	0.5
243.16086	0.5
246.29047	0.4
251.53737	0.3
266.06863	0.8
269.08231	0.5
281.09348	0.8
283.09808	0.5
284.10410	0.6
295.06219	0.5
297.16995	0.4
299.12903	0.4
343.11899	3.0
355.13922	2.1
387.10913	5.1
387.12637	5.1
387.20230	44.4
388.10941	0.9
388.20444	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	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83568	0.6
55.01873	1.5
57.03447	2.3
58.00592	1.5
59.01380	100.0
60.01723	1.3
61.98826	1.7
69.03452	1.3
71.01384	41.1
71.54823	0.8
72.99310	1.7
73.02947	37.9
73.31924	0.6
83.01388	10.0
85.02948	11.4
87.00880	2.2
89.02446	19.7
92.61819	0.6
95.01403	2.2
97.02976	1.5
99.00882	2.0
101.02441	37.5
102.02786	0.8
113.02457	12.4
119.03503	7.2
119.04932	0.8
120.99635	1.2
121.10232	10.7
125.02449	2.4
129.01958	1.1
131.03497	2.1
139.11298	1.0
143.03526	2.4
145.02911	0.9
149.04575	2.1
155.03450	0.7
161.04564	7.5
165.09236	6.3
179.05621	1.8
183.10233	3.3
191.01900	0.6
193.04929	0.7
207.13957	0.7
225.14928	1.8
295.31824	0.7
301.16702	3.4
315.18161	3.0
327.14423	3.5
345.15524	6.5
364.04617	0.6
387.16461	45.5
388.16815	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	387.1328
Annotation	N5-Dinitrophenyl-L-ornithine methyl ester
Peak:m/z	Relative Intensity
55.01875	0.9
57.03444	0.8
57.73383	0.3
58.00581	0.6
59.01377	15.0
61.98813	0.3
68.62438	0.3
69.03453	0.3
69.48637	1.8
71.01379	10.3
72.99304	1.0
73.02948	2.1
79.95731	1.8
80.96512	0.9
83.01395	1.3
85.02938	4.6
87.00880	1.1
89.02440	7.9
95.01393	1.6
96.96009	78.0
98.20634	0.6
99.00877	0.6
101.02439	9.4
102.02757	0.3
110.02528	0.2
113.02444	4.7
119.03513	3.6
120.99668	0.6
122.97599	0.5
125.02441	0.4
134.03716	2.0
137.09718	0.4
138.16829	0.3
138.97070	0.7
139.00352	0.3
143.03473	0.6
148.05298	0.5
150.97084	0.6
152.98605	0.7
155.84076	0.4
157.01384	0.4
159.02980	0.3
161.04546	1.6
175.02422	0.6
177.02168	0.3
177.05582	0.6
180.98102	2.3
193.05019	0.6
197.15550	0.4
207.06662	0.5
207.13890	0.4
225.14958	3.3
241.00211	4.1
251.05550	2.3
266.07043	0.6
281.09238	1.3
291.04999	0.8
311.10312	0.6
315.17923	0.3
333.06128	0.9
343.11935	0.4
351.07199	1.8
387.13281	100.0
387.20209	23.0
388.13565	8.7
388.20535	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	387.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03425	0.8
58.00587	1.4
59.01377	50.7
61.98817	2.2
66.87479	0.6
71.01379	24.8
71.11821	0.8
71.12157	1.1
72.99310	1.5
73.02932	1.3
83.01378	2.6
85.02953	7.2
87.00873	1.7
88.31524	0.6
88.73842	0.7
89.02440	25.1
90.02731	1.1
95.01380	2.2
95.04996	0.9
96.96009	2.3
101.02439	16.1
113.02451	10.2
119.03503	10.3
121.02942	3.1
123.04543	3.6
125.02443	0.7
131.03574	1.1
142.52081	0.6
143.03491	1.5
149.02478	3.6
151.04041	1.6
153.01962	3.4
161.04536	1.7
163.11235	6.2
165.05550	1.9
165.09227	1.5
166.06366	1.1
168.04236	2.3
175.18295	0.8
177.01923	30.8
178.02489	2.2
179.05498	1.1
181.05051	1.3
191.03506	0.9
192.04272	45.7
193.01192	1.1
193.04822	2.7
207.06612	100.0
208.06932	6.5
225.07658	11.4
358.78473	0.8
387.13028	1.7
387.16632	20.7
387.20432	1.5
388.16956	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	387.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95173	0.5
59.01377	13.0
60.95398	0.5
61.98825	1.1
67.79903	0.5
71.01376	3.4
72.99324	0.8
73.02969	1.8
82.00578	0.6
83.01398	0.7
85.02952	2.5
86.48987	0.6
89.02444	1.4
96.95999	6.4
101.02426	2.9
109.02953	0.6
110.00099	5.0
113.02440	1.6
119.03501	0.6
120.99637	0.8
124.04087	0.7
125.02422	3.5
134.03777	0.9
137.99591	6.0
138.99898	0.6
153.01932	99.9
154.02248	3.9
160.04071	0.6
161.04524	0.8
168.04269	100.0
169.04601	4.2
183.06616	56.2
184.06949	2.8
185.03827	0.7
186.04610	0.6
230.53331	0.6
241.00165	0.6
256.09531	0.9
281.09225	1.0
299.10388	0.8
387.13333	5.0
387.20432	1.2
388.12503	0.7
391.80014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
61.98829	100.0
62.42930	0.4
69.15730	2.6
69.16142	1.4
76.36696	0.3
85.02956	1.3
96.96016	0.4
188.76900	0.4
192.02223	0.3
225.11412	0.4
305.17603	0.6
316.35101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1087
Annotation	epoxytwinol A
Peak:m/z	Relative Intensity
52.59621	0.4
55.01878	1.0
57.03442	1.4
58.00591	0.7
59.01380	27.0
60.01735	0.5
61.98824	1.7
63.02367	0.4
65.00314	1.1
68.07999	0.4
69.03444	0.9
71.01385	12.1
71.53924	0.5
72.99314	0.8
73.02949	7.2
83.01377	2.1
83.05020	0.6
85.02957	6.0
87.00881	0.8
89.02447	4.7
89.03971	0.7
91.01907	4.0
94.28078	0.4
95.01379	1.0
96.99315	6.5
98.20369	0.5
99.00890	1.1
99.04513	0.5
101.02443	8.4
108.02110	0.9
109.02944	5.5
111.00876	0.5
113.02470	5.4
117.03442	2.0
119.03486	1.7
120.99662	1.0
121.02949	1.0
121.10254	1.7
123.00893	0.5
123.04533	8.9
124.01734	0.8
125.02454	0.6
129.01930	0.4
133.02936	0.6
134.03741	29.6
135.04016	0.4
137.02426	1.0
137.09695	0.4
139.11319	0.8
145.02953	4.4
146.03745	10.3
147.02945	0.5
147.04562	4.3
148.01697	1.6
148.05318	1.6
149.06102	2.7
150.03201	0.7
151.04111	0.4
153.05551	0.6
157.75076	0.4
158.03729	7.7
159.04521	16.2
160.01698	1.0
160.04970	0.6
161.02391	0.6
161.04559	3.3
161.06088	4.8
163.03999	3.3
163.11310	0.5
165.09166	1.1
173.02536	0.5
173.06042	4.8
174.03273	0.8
175.04001	1.6
177.09256	0.6
178.02711	3.3
183.10277	4.1
183.44853	0.4
187.04041	1.4
189.05577	0.5
193.05057	9.9
193.06819	0.6
193.08688	1.0
225.14946	0.7
239.07127	1.2
241.05046	1.6
249.05444	0.7
250.06377	1.0
251.07132	0.5
256.07394	1.6
256.09744	0.4
265.04953	0.4
265.08603	0.7
266.05820	4.8
267.06622	6.0
268.07184	2.2
269.08133	1.5
271.09750	1.6
277.05124	1.2
280.07544	0.6
281.08163	11.2
282.08920	4.8
283.09723	3.6
284.10550	3.0
293.08224	0.5
294.05502	1.2
295.06131	12.3
295.09525	0.9
296.06540	1.3
297.16867	0.4
299.10370	0.5
301.16571	1.1
309.07663	2.6
310.08459	11.2
311.08871	0.8
315.18143	4.4
316.18698	0.5
325.10834	8.4
326.11166	0.5
327.14426	1.0
339.04950	0.8
343.11951	1.3
345.15604	1.4
354.07422	2.2
355.14075	0.5
369.09787	5.6
387.10873	100.0
387.16098	4.8
387.20343	6.0
388.11188	10.4
388.16193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.1
61.94556	2.2
61.98828	100.0
85.02948	24.7
106.94078	3.1
147.03030	3.0
155.95111	2.4
183.91074	2.7
191.02016	7.0
209.03081	3.6
255.22417	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	385.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35309	0.1
57.03458	0.3
57.22030	0.1
59.01386	0.5
60.07986	0.1
61.98831	100.0
69.19901	0.8
69.20320	0.4
71.01398	0.2
73.71926	0.1
83.01412	0.2
85.02952	2.3
85.95919	0.1
128.10881	0.2
129.01964	0.2
130.08736	4.1
130.09683	0.2
147.03058	0.2
148.37154	0.1
156.01166	0.1
191.02042	0.6
209.03055	0.5
322.20178	2.6
323.20670	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1868
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
53.25327	0.4
55.01882	3.1
56.41571	0.4
57.03444	6.7
58.00593	3.1
59.01379	57.8
60.01705	0.9
61.98851	0.5
65.20293	0.4
68.99822	0.5
69.03481	0.8
71.01381	65.8
71.04978	1.0
71.14457	0.4
72.01725	1.0
72.99311	2.9
73.02950	12.5
75.00882	2.0
81.03453	0.7
83.01383	7.2
83.05032	1.0
84.02174	1.4
85.02950	56.1
86.03265	1.0
87.00861	3.5
89.02444	31.3
91.26452	0.4
93.57468	0.5
95.01379	5.3
95.05022	1.4
96.96011	5.3
97.02957	5.7
97.06605	0.5
99.00883	6.3
101.02442	31.6
102.02740	0.7
105.07107	1.2
107.05000	1.0
108.05817	2.6
109.03000	0.8
109.06606	1.5
111.00832	1.0
111.04539	0.9
111.08170	0.8
113.02455	25.3
113.06083	3.5
114.02773	0.6
119.03500	11.2
119.04948	0.9
120.99617	0.4
122.03739	2.2
123.08163	4.2
124.05284	0.4
125.02448	1.4
125.06083	2.3
129.01958	2.6
131.03520	0.6
131.67216	0.4
133.01492	0.6
134.03767	0.7
135.04510	1.3
135.08153	1.0
136.05301	3.6
137.06058	1.5
138.06868	20.4
139.07671	10.0
143.03506	3.1
147.02960	3.4
147.08186	0.7
149.04582	0.7
149.06079	0.9
151.07648	20.9
152.04906	2.2
152.08432	41.3
153.09212	100.0
154.09561	4.2
159.03003	4.7
160.03293	0.4
161.02536	0.9
161.04562	19.1
161.09676	0.8
163.11244	3.2
165.09167	2.3
167.07111	1.1
173.00903	0.9
179.03465	0.7
179.05598	2.6
179.06981	0.5
181.05154	0.6
181.08646	0.7
187.11259	0.7
189.09209	1.5
190.09981	1.7
191.00244	1.0
191.01965	16.7
193.05070	0.6
205.12325	33.2
206.12669	1.8
209.02962	4.6
223.04573	13.6
223.13379	19.9
224.13713	1.4
231.04050	0.5
259.98141	0.5
271.02588	0.8
300.02829	1.0
304.06903	4.7
304.57166	1.2
385.11377	4.5
385.18707	8.9
386.19037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55617	0.4
57.03458	1.2
59.01379	100.0
60.01725	1.2
61.98825	0.7
69.27450	1.1
69.27869	3.1
71.01382	3.5
71.78062	0.4
72.99300	0.5
73.02950	1.7
75.00873	0.9
83.01402	0.7
84.02186	0.5
85.02951	10.5
89.02454	1.7
99.00829	0.5
101.02463	2.3
113.02456	1.2
117.13174	0.5
119.03542	0.8
119.05062	0.7
120.99687	0.8
125.24583	0.5
129.01987	0.8
134.03786	1.0
135.04539	0.6
141.91139	0.4
147.03061	0.6
149.06102	0.6
161.04518	0.8
174.01695	0.5
177.03439	0.6
191.02007	3.3
205.70880	0.4
209.02895	2.1
213.09088	0.5
223.04616	0.5
243.02075	0.6
383.94705	0.4
385.14645	0.6
385.18567	1.1
385.22766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61411	0.7
57.03453	1.3
58.25753	0.6
59.01377	100.0
60.01708	0.7
61.98832	1.1
71.01384	6.9
71.02972	0.9
72.99292	0.7
73.02951	1.7
79.37886	0.5
83.01385	1.1
85.02947	11.3
87.00877	0.6
89.02475	1.2
96.96092	0.6
97.02958	0.6
99.00880	1.4
101.02479	3.4
102.86762	0.6
109.02966	1.3
112.98782	0.7
113.02429	2.8
123.04520	1.8
129.01947	0.8
134.03763	0.8
135.03004	2.6
142.99892	1.9
148.05315	10.0
151.04053	0.8
159.03026	0.9
161.04541	7.7
163.07637	7.6
173.00885	1.2
174.01659	5.0
191.02002	2.6
209.03050	2.0
211.13449	2.0
223.13409	1.8
233.08162	0.8
253.39093	0.6
261.07684	1.5
267.12491	1.5
269.13950	0.7
307.12106	0.9
311.39084	0.6
367.13913	1.6
385.12888	3.9
386.13120	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1291
Annotation	SCHEMBL3183521
Peak:m/z	Relative Intensity
53.05313	1.6
57.03434	6.5
59.01380	16.1
59.67544	1.6
61.98819	4.8
62.81213	1.5
64.68945	1.8
69.37457	13.1
71.01364	5.4
73.02967	2.8
83.01361	2.0
85.02946	41.6
86.03236	2.0
101.02444	1.6
108.02192	2.3
111.00846	2.7
113.02480	2.0
113.88264	2.2
118.98093	1.7
119.05027	3.0
129.01993	3.3
134.03746	2.2
136.29008	1.8
145.03014	4.1
147.02994	6.0
147.04498	19.2
149.02364	2.9
150.03207	2.6
159.33441	1.8
172.49843	1.9
173.00919	3.1
173.02408	13.7
174.01671	2.0
177.03972	2.2
177.05440	3.8
181.05063	2.5
191.01950	11.4
191.03540	4.9
192.04095	1.8
199.13380	2.8
205.05054	65.7
206.05800	30.2
209.03052	10.6
219.06656	4.0
220.07397	11.0
227.62180	1.8
234.05357	16.8
237.05557	2.7
238.04758	17.6
240.07928	3.1
247.06166	6.4
248.06903	3.9
249.05316	3.1
249.07680	43.7
250.08159	3.5
252.06395	22.1
265.04968	3.7
267.06586	2.2
284.06970	2.9
287.05658	2.8
294.05203	2.0
295.05963	3.3
296.06827	5.2
309.07709	10.9
311.09280	4.1
312.06439	3.1
321.07672	4.0
324.09927	2.4
325.07175	13.4
326.07855	7.6
327.08505	3.3
337.07138	13.9
340.05881	9.3
340.09622	6.2
341.10284	7.1
352.09570	6.1
353.10248	4.9
355.08118	21.1
355.12003	13.8
356.12311	2.5
357.13263	2.3
367.11771	11.7
370.10480	15.4
385.12912	100.0
386.13177	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	385.1139
Annotation	Axitinib
Peak:m/z	Relative Intensity
50.19443	0.8
55.01868	2.1
56.84936	0.8
57.03448	8.9
58.00592	1.5
59.01377	51.9
61.08024	1.0
61.98823	7.3
69.48341	6.2
71.01382	30.1
72.99313	2.5
73.02948	13.3
73.51143	1.0
74.69400	0.8
74.99113	1.0
77.57782	0.9
81.03472	1.1
83.01389	5.9
84.02159	1.1
85.02952	62.6
86.03273	1.4
87.00874	1.8
89.02445	16.4
93.03461	34.3
94.03837	1.2
95.01382	4.4
96.96010	13.8
97.02945	1.6
99.00872	2.0
99.04530	2.0
101.01809	1.4
101.02443	19.5
103.04015	28.2
107.05013	2.1
108.02155	1.9
111.00876	3.3
113.02458	12.6
115.00385	1.1
119.03500	7.1
119.05000	1.8
120.99673	5.8
121.02956	1.8
121.06610	1.3
122.03720	3.1
125.02406	1.0
129.01930	3.6
134.03725	3.4
135.04561	2.3
135.08162	1.2
135.62604	0.9
136.01659	11.8
136.05270	2.3
137.02446	88.8
137.09729	12.1
138.02776	2.7
143.03400	2.2
147.02969	5.0
149.02504	1.4
149.04544	1.3
151.04039	5.7
161.04593	5.2
166.06354	2.9
179.03506	38.3
180.04120	3.2
181.08713	38.1
182.08972	1.8
191.01981	13.2
193.04965	1.8
196.42136	0.9
205.12309	4.3
209.02902	8.7
209.04614	3.7
223.04535	1.6
223.13332	2.1
239.05597	23.4
239.07809	0.9
240.06007	1.5
247.08095	1.9
265.09265	51.0
266.09604	3.0
281.06583	4.5
285.29068	1.0
321.59485	1.0
325.09317	1.9
325.12848	12.3
326.13458	1.0
343.14066	6.4
385.11426	100.0
385.23013	2.5
386.11914	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	385.114
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.27909	0.7
57.03428	2.1
58.00584	1.0
59.01379	30.0
59.07471	0.8
60.54387	0.7
61.98825	1.2
69.60512	4.6
70.78147	0.8
71.01016	1.2
71.01382	16.8
72.99292	2.7
73.02946	1.9
83.01385	1.1
85.02952	14.4
89.02440	11.4
95.01333	1.5
96.95989	1.8
98.20448	2.5
101.02431	8.0
103.05553	4.5
113.02469	4.5
115.05511	1.4
119.03489	5.4
129.01964	1.6
129.44957	0.7
131.05029	4.4
133.06601	36.0
134.06921	2.1
139.75386	0.8
147.03278	1.4
147.04512	13.0
151.31059	0.8
159.04497	2.7
161.06085	1.0
177.05469	1.8
191.01987	3.8
205.05051	100.0
206.05402	5.6
209.03020	2.7
223.06163	4.2
295.37256	0.7
298.47565	0.8
385.11380	43.6
386.11670	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	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07566	0.7
53.48306	0.6
55.01867	1.1
57.03445	4.7
57.61665	0.6
59.01109	0.8
59.01380	9.1
61.98825	2.0
65.00350	0.6
68.83701	0.6
69.40360	2.6
69.40781	1.8
71.01382	5.2
72.99290	1.4
73.02936	1.0
75.00879	1.0
83.01402	1.7
84.02172	1.4
85.02950	39.2
86.03273	0.7
87.00886	1.1
89.02452	2.3
93.03471	0.9
99.00889	0.6
101.02457	2.1
107.05048	0.6
109.02954	0.8
111.00909	2.1
113.02438	1.1
120.99658	0.9
121.02946	5.7
129.01949	3.7
134.03745	4.3
135.04512	5.0
136.05283	2.1
137.02458	0.9
137.06093	4.3
143.03543	0.7
147.02995	4.4
149.02435	35.2
149.06023	1.0
150.02747	1.2
150.06908	1.0
151.04012	1.0
151.07629	1.5
152.01128	6.2
161.04594	0.6
162.06895	0.8
163.04016	5.0
163.07639	1.4
164.04788	31.9
165.01967	2.0
165.05151	1.5
166.02699	0.6
167.03476	1.2
169.05042	2.4
173.00896	1.3
174.01704	0.9
179.03508	1.4
179.05707	1.1
179.07140	10.3
180.04179	0.9
180.07870	2.0
181.05066	10.6
181.08640	4.1
186.78998	0.6
188.98094	0.8
191.01953	15.5
193.01410	17.1
193.05029	3.5
196.02518	1.0
205.03447	1.0
205.12386	0.9
208.03754	37.1
209.02917	10.4
209.06602	1.1
223.06136	100.0
224.06499	5.1
378.06857	0.6
385.11053	4.1
385.15302	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	385.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.2
57.03450	12.9
59.01377	12.6
69.58009	5.3
69.58420	2.9
71.01373	9.0
72.99323	4.3
73.02948	3.1
75.00872	4.5
83.01384	4.5
84.02180	2.0
85.02948	100.0
86.03260	1.2
87.00863	5.3
89.02431	2.9
96.96029	1.4
97.35209	1.3
101.02411	2.3
111.00870	5.3
113.02448	2.5
115.00359	7.5
129.01952	8.0
133.01463	1.7
134.03714	4.3
135.04555	1.5
147.02979	10.9
149.02434	2.5
163.04044	1.7
164.04785	1.9
173.00876	1.5
174.01674	43.4
175.02444	5.1
178.29187	1.2
181.05017	1.9
191.01967	38.8
192.02278	2.7
193.05002	1.6
205.03583	2.3
208.03874	1.8
209.02988	39.1
209.04932	2.0
209.08192	2.2
223.04306	8.5
223.06203	4.8
267.08701	2.2
295.08246	6.4
309.81525	1.5
325.09363	9.0
344.81189	1.2
385.11407	73.0
386.11713	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	385.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.2
57.03450	12.9
59.01377	12.6
69.58009	5.3
69.58420	2.9
71.01373	9.0
72.99323	4.3
73.02948	3.1
75.00872	4.5
83.01384	4.5
84.02180	2.0
85.02948	100.0
86.03260	1.2
87.00863	5.3
89.02431	2.9
96.96029	1.4
97.35209	1.3
101.02411	2.3
111.00870	5.3
113.02448	2.5
115.00359	7.5
129.01952	8.0
133.01463	1.7
134.03714	4.3
135.04555	1.5
147.02979	10.9
149.02434	2.5
163.04044	1.7
164.04785	1.9
173.00876	1.5
174.01674	43.4
175.02444	5.1
178.29187	1.2
181.05017	1.9
191.01967	38.8
192.02278	2.7
193.05002	1.6
205.03583	2.3
208.03874	1.8
209.02988	39.1
209.04932	2.0
209.08192	2.2
223.04306	8.5
223.06203	4.8
267.08701	2.2
295.08246	6.4
309.81525	1.5
325.09363	9.0
344.81189	1.2
385.11407	73.0
386.11713	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	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66682	0.6
55.01878	3.0
57.03453	13.5
59.01385	6.7
61.02975	0.8
68.99818	1.2
69.74857	3.1
71.01381	5.1
72.99313	2.1
75.00873	2.1
83.01375	4.0
84.02177	2.5
85.02953	100.0
86.03281	2.4
87.00907	0.9
89.02457	1.3
98.19833	0.6
101.02476	1.4
103.00381	1.8
111.00891	5.7
115.00394	1.2
117.92974	0.6
129.01944	8.5
133.01430	1.2
134.03738	4.1
147.02991	11.8
149.02405	0.6
173.00894	1.4
187.50450	0.7
191.01976	37.7
192.02330	1.3
193.05055	2.4
209.03021	23.7
261.64651	0.6
286.79208	0.6
367.07294	0.7
385.07938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03448	12.6
59.01379	7.3
68.70762	0.8
68.99816	1.8
70.26579	2.3
71.01378	8.1
72.99287	2.6
73.02939	0.7
75.00874	3.1
77.83265	0.7
83.01386	3.0
84.02158	1.8
85.02946	100.0
85.69689	0.6
86.03296	3.0
87.00878	1.4
87.79836	0.6
89.02433	2.3
96.74577	0.6
97.43900	0.6
101.02473	0.8
103.00365	1.4
107.60577	0.6
111.00878	6.5
115.00378	1.6
116.90650	0.6
127.73386	0.6
129.01945	7.4
133.01440	3.4
134.03716	5.6
134.04446	0.5
147.02997	9.6
149.02457	2.2
164.04773	2.6
173.00929	2.3
191.01959	35.0
192.02304	1.5
193.05035	1.2
205.03790	0.7
208.03705	0.7
209.03014	59.3
210.03404	1.7
223.04478	2.5
223.06367	3.8
385.11548	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
57.03448	9.8
59.01381	5.5
66.04677	0.8
70.70444	2.1
71.01375	2.8
72.99312	1.2
75.00868	1.7
81.13998	0.6
83.01384	1.7
84.02175	2.8
85.02950	100.0
86.03295	2.4
87.00850	0.9
88.40177	0.6
101.02477	0.7
103.00360	1.0
108.50685	0.6
111.00890	5.1
114.48136	0.7
129.01961	9.9
134.03766	3.9
147.03001	15.8
155.25356	0.6
173.00896	2.8
186.64459	0.6
191.01970	41.7
192.02312	1.0
193.05069	2.0
209.03026	19.9
223.04611	6.4
385.07864	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.8
57.03448	15.3
59.01381	7.0
61.76418	0.4
63.33948	0.4
68.99836	1.0
70.02151	1.9
71.01379	4.1
72.99300	1.6
73.02950	0.6
75.00885	1.2
83.01402	2.9
84.02161	3.2
84.23006	0.4
85.02950	100.0
86.02805	0.5
86.03276	3.1
87.00873	1.2
89.02443	0.7
101.02425	0.6
103.00376	2.1
111.00876	4.4
115.00391	0.7
125.22638	0.6
129.01941	9.0
133.01428	1.0
134.03755	3.6
147.02994	11.7
173.00935	2.1
191.01978	28.8
192.02354	0.8
193.05070	2.1
209.03029	11.9
210.03394	0.5
210.76779	0.5
223.04549	1.4
244.43619	0.5
254.59283	0.5
340.95993	0.6
349.27386	0.5
385.07819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
59.01394	0.4
61.98827	100.0
62.98542	0.3
69.15233	2.9
71.01373	0.5
85.02945	6.7
92.67484	0.3
94.48829	0.3
96.43606	0.3
111.00893	0.4
117.76673	0.3
129.01953	0.6
138.58540	0.3
138.59769	0.3
147.03032	1.0
191.01984	2.7
209.03058	1.9
223.04568	0.4
223.16965	0.3
271.31244	0.4
286.89539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51884	0.3
57.03453	0.6
59.01380	2.3
61.98831	100.0
69.02455	0.2
71.01391	1.0
73.02930	0.4
83.01408	0.5
85.02953	4.8
85.93258	0.3
89.02509	0.4
96.96029	0.7
101.02467	0.6
109.06680	0.3
113.02454	0.5
116.10594	0.3
119.26339	0.3
129.01933	0.3
134.03763	0.4
135.01173	0.4
137.02454	0.7
147.03024	0.8
163.07668	0.3
179.03639	0.3
179.07071	0.3
181.08688	0.4
191.01979	1.5
209.03079	1.1
218.56987	0.3
223.02765	0.4
265.09280	0.6
325.12924	0.4
343.14017	0.5
384.24982	0.3
385.11288	1.4
385.18823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.4
59.01384	6.4
61.98828	1.2
69.80016	0.8
71.01366	2.2
71.05019	0.9
72.17378	0.7
80.02673	1.1
81.03422	1.0
83.05030	1.2
89.02447	1.3
91.04016	0.9
95.05015	0.7
97.06576	1.7
98.20293	4.7
106.04237	1.2
113.02409	1.0
139.11316	1.5
148.56841	0.8
153.12775	1.2
167.14351	0.8
177.16444	2.3
216.54344	0.8
229.08905	1.1
245.19058	1.1
247.20657	52.6
248.20992	4.3
265.21603	1.9
273.18555	9.8
288.69095	0.9
291.19644	66.4
292.20001	5.8
309.20691	100.0
310.21051	10.3
383.24359	60.4
384.24600	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	383.2437
Annotation	Sinuflexibilin
Peak:m/z	Relative Intensity
57.03452	5.8
58.00579	0.8
59.01384	8.4
61.98816	2.9
71.01389	3.6
71.05021	1.2
71.52622	0.9
73.02950	1.0
81.03449	0.8
83.05016	1.5
86.36046	0.6
89.02441	2.0
91.04007	1.3
95.05011	0.9
97.06583	1.3
106.04271	1.2
109.06527	0.8
113.02409	1.2
121.02981	3.5
123.08141	0.8
125.09682	0.9
139.11327	0.9
153.12827	1.5
161.04581	0.8
167.14386	0.9
177.16420	2.1
193.15965	1.4
237.79356	0.8
245.19095	1.4
247.20657	57.0
248.21075	3.9
265.21774	3.7
273.18637	10.2
274.18768	0.9
291.19656	74.6
292.20074	6.5
308.01541	0.9
309.20700	100.0
310.21106	9.3
323.09958	1.3
378.71060	0.9
383.24380	70.8
384.24677	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	383.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	88.3
61.98831	61.4
69.24393	100.0
69.85919	9.7
71.01370	28.2
81.94185	13.4
85.02901	13.8
87.00842	16.2
88.08437	13.7
89.02427	33.6
101.02417	20.9
104.90232	11.8
109.81761	11.7
110.55126	11.9
113.02461	16.7
176.93813	12.9
178.82079	12.0
255.11748	12.4
267.02222	11.3
323.09613	21.4
341.10751	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	383.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94736	0.2
51.94845	0.3
59.01377	3.5
63.64504	0.2
66.05789	0.3
70.71816	0.6
71.01393	0.3
107.73280	0.2
119.05022	1.1
125.36430	0.2
137.02452	1.0
163.04019	2.6
164.04788	100.0
165.05107	4.2
179.07129	85.8
180.07460	4.5
196.73932	0.3
242.23305	0.2
242.55045	0.3
252.68951	0.2
383.13681	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41445	0.7
55.02516	0.6
56.60859	0.7
59.01380	95.9
59.94360	0.5
59.98555	0.8
60.01716	0.6
61.98837	2.7
67.52670	0.7
69.30770	2.8
69.31194	2.6
71.01365	3.3
85.02966	1.6
92.74136	0.8
96.96023	0.8
97.02975	1.8
101.02434	1.0
113.02451	1.0
115.00354	1.2
119.05029	28.2
120.05417	0.8
133.01466	1.3
145.02975	0.9
161.06168	1.1
162.02132	0.6
162.03195	3.7
163.04018	5.0
163.07686	0.8
164.04791	100.0
165.05125	4.6
177.05554	8.2
178.06256	2.1
179.07137	95.7
180.07487	5.6
189.05602	1.3
221.08200	5.7
223.13432	2.4
245.08180	1.9
245.10693	0.7
267.12360	1.8
270.16891	0.6
316.54721	0.8
323.11349	14.0
324.11581	1.2
339.09845	0.9
341.12329	6.8
342.12643	0.7
383.13559	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	382.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01717	1.0
61.98824	1.4
63.75316	0.6
67.72653	0.6
69.48354	3.8
71.02758	0.5
98.20677	1.3
98.96704	0.5
108.10815	0.5
135.20767	0.6
170.98795	0.6
186.80165	0.7
201.88753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03833	0.4
53.33411	0.4
59.01379	100.0
60.01714	1.0
61.98823	1.8
62.22791	0.4
67.38939	0.5
71.01389	1.2
73.02982	0.6
85.02973	0.9
87.00906	0.6
89.02460	0.8
93.03459	4.9
96.96033	0.6
98.19852	0.8
101.02439	1.1
102.90483	0.5
113.02456	0.7
121.02952	0.5
128.13292	0.4
137.02440	11.4
137.87956	0.4
145.24924	0.5
196.02744	0.5
229.01471	0.5
263.05917	0.6
265.61151	0.4
281.06671	3.8
283.28619	0.5
296.07632	0.5
323.10300	0.6
339.11624	0.5
341.10983	0.7
356.98761	0.5
367.24847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01376	3.9
60.01735	0.4
61.98828	100.0
71.01386	1.3
72.01750	0.5
75.74181	0.4
85.02966	1.4
87.00870	0.6
89.02440	1.9
90.02795	0.6
98.19855	0.7
101.02458	0.7
103.04035	1.0
109.02941	0.4
113.02466	0.7
122.06160	0.4
129.01971	0.5
132.04575	0.6
133.02940	0.6
133.05067	2.7
134.05412	1.4
135.04553	0.7
158.06134	0.5
160.04037	0.9
161.02477	0.4
164.07202	0.5
176.03552	0.6
177.01971	1.5
178.02292	1.5
179.03648	0.3
220.09837	0.6
248.08583	0.5
265.09146	0.7
266.09598	1.7
306.70096	0.4
322.15067	0.5
323.17102	0.7
338.11880	0.8
382.10220	0.4
382.14047	1.6
383.10068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
59.74614	0.2
61.98830	100.0
69.19125	2.2
71.01376	0.7
72.97523	0.2
73.02937	0.3
73.93021	0.2
89.02438	0.4
90.44412	0.2
98.19917	0.4
98.20567	0.6
101.02441	0.3
113.02477	0.2
119.03496	0.2
132.23273	0.2
135.04546	0.3
157.19778	0.2
214.12076	0.2
235.54596	0.2
259.29828	0.2
304.11206	0.3
322.12277	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
59.01377	100.0
60.01711	1.5
61.98829	15.6
70.54752	0.4
70.55089	1.2
71.01378	5.2
73.02958	2.0
73.33616	0.4
83.01404	0.8
85.02956	3.2
85.83224	0.4
87.00890	0.4
89.02458	1.1
96.96016	1.2
99.00922	0.9
99.04529	1.0
99.92620	0.4
101.02444	4.5
108.41936	0.4
111.04532	0.5
113.02422	2.5
115.92072	1.5
117.09231	0.4
118.98059	0.5
125.02458	0.4
136.07613	0.6
152.99652	1.0
159.03026	0.6
161.04567	3.1
164.07191	0.7
176.03629	0.6
177.01959	1.0
177.03912	0.4
177.05588	0.5
222.58302	0.4
260.83084	0.4
261.13489	1.4
263.58450	0.4
279.14465	14.7
280.14880	1.1
321.15533	6.3
333.81323	0.4
381.12561	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03439	1.5
57.91505	0.6
58.00576	0.7
59.01379	27.6
60.01707	0.7
61.98830	6.4
69.03443	0.6
71.01381	18.9
71.44735	0.5
71.54035	1.0
72.68288	0.6
72.99300	3.7
73.02945	6.1
75.00844	1.0
83.01376	4.6
85.02950	8.6
86.00083	0.8
87.00857	1.7
87.04503	1.0
89.02434	5.8
95.01385	0.9
96.95985	0.6
99.00870	2.0
99.82810	0.6
101.02441	19.8
101.03111	1.1
103.03982	1.4
105.03453	1.3
111.00875	1.6
113.01709	1.0
113.02442	8.4
119.03510	1.7
129.01971	0.6
131.03477	0.6
133.02930	2.4
133.05092	1.1
134.45497	0.5
155.10727	0.6
158.06113	0.6
159.02960	1.2
161.04538	4.0
177.01929	27.4
178.02263	1.2
182.71387	0.5
193.05107	0.6
201.11299	1.2
219.12370	0.9
265.09064	0.8
267.09772	0.6
291.14413	5.5
317.15973	5.4
321.15497	1.5
363.16608	9.0
364.16861	1.1
381.17633	100.0
382.17990	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	381.1918
Annotation	Viguilenin
Peak:m/z	Relative Intensity
58.00583	0.8
58.30648	0.3
59.01384	1.6
61.98825	0.9
68.55233	0.3
69.03458	1.2
69.57086	1.9
71.01369	0.4
73.02937	0.8
73.20206	0.3
78.79742	0.3
83.05022	0.5
87.04496	0.5
98.20633	0.7
101.02445	0.3
107.06410	0.3
111.00871	0.3
113.06094	0.5
135.08171	0.6
137.09692	2.7
143.59775	0.4
155.10750	0.4
164.34003	0.4
217.16016	0.7
233.19029	0.8
244.51927	0.3
245.16861	0.4
245.19020	1.7
257.15460	1.1
257.19009	0.5
261.18561	0.3
263.20157	0.6
273.18576	1.1
275.20108	1.1
289.18076	0.4
291.19693	0.9
309.20657	0.4
319.19147	0.6
335.18451	0.7
337.20197	41.1
338.20465	4.2
381.19165	100.0
382.19516	11.4
382.24512	0.3
386.58621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01314	0.6
59.01380	2.4
59.96724	1.3
60.97514	1.1
61.98824	0.8
74.09542	0.7
74.99072	25.1
75.96217	2.4
80.20365	0.7
91.02208	41.3
93.00128	10.4
96.73416	0.7
98.19883	1.5
122.11140	0.9
141.07405	1.1
143.05348	1.8
156.22000	0.8
159.08461	100.0
160.08722	4.1
161.06386	9.9
214.25647	0.7
239.88335	0.8
282.98022	0.7
347.78427	0.8
365.10931	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52545	0.4
54.99092	0.4
57.03434	0.4
59.01378	100.0
60.01712	1.5
61.98833	1.4
69.50002	2.8
75.59824	0.4
85.02966	1.0
85.43318	0.4
101.02473	0.6
167.09297	0.4
197.92871	0.4
255.36145	0.4
381.19604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	6.3
59.01378	100.0
61.98834	20.9
63.65715	1.4
69.83201	7.4
70.57796	1.2
71.01384	29.0
73.02951	5.7
82.86658	1.2
83.01405	3.7
85.02950	17.0
87.00871	5.7
89.02435	22.9
92.94711	1.4
95.01376	2.7
97.06583	4.8
98.20169	3.8
99.00904	3.4
99.04515	13.6
101.02445	26.8
103.04022	7.0
111.00880	8.4
111.04530	2.6
112.98561	5.0
113.02440	14.1
114.02853	1.3
117.05586	3.1
119.03497	5.7
130.08730	10.3
133.05074	8.8
140.10107	1.3
141.05615	2.6
143.03455	3.2
159.02939	3.0
161.04559	15.9
179.05659	1.7
185.80255	1.6
197.62282	1.5
231.08679	2.0
261.09799	28.4
262.09979	2.3
265.09314	7.3
279.10828	40.0
280.11136	3.1
280.20636	1.5
303.10892	7.9
321.11893	67.5
322.12192	5.4
381.13614	6.4
393.62375	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51084	0.2
53.39250	0.2
57.03439	0.4
59.01380	9.2
60.01720	0.3
61.98830	1.9
64.28986	0.2
69.45536	1.6
71.01391	0.5
73.02960	0.3
81.03461	0.4
85.02943	0.5
87.59038	0.2
88.95242	0.2
89.02428	0.3
89.03967	2.0
89.33394	0.2
93.03468	0.3
98.20418	0.7
101.02453	0.3
103.03954	0.3
104.02680	0.7
105.03470	3.2
106.03746	0.2
113.02467	0.3
121.02952	0.2
133.01938	0.4
133.02957	8.1
134.03270	0.3
141.06752	0.3
148.01691	0.4
149.02397	1.2
161.07187	0.9
176.01138	1.9
177.01927	100.0
178.02277	4.8
204.07774	0.8
230.09465	0.3
256.95511	0.2
267.09726	0.6
279.14383	0.4
297.00024	0.2
321.15570	0.3
338.13504	0.8
381.08240	9.1
381.12988	0.5
382.08661	0.7
391.14828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99398	0.5
57.30611	0.5
59.01379	100.0
60.01719	0.5
61.98827	1.3
63.28741	0.5
69.21631	2.7
69.22054	2.2
89.75632	0.6
111.47227	0.6
125.93224	0.6
203.67842	0.6
312.13589	0.6
320.25958	0.7
345.93988	0.7
374.39270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1559
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
50.00977	0.4
56.11124	0.4
57.03447	4.7
58.00584	0.6
59.01379	20.5
61.98812	1.9
66.97621	0.5
69.58772	0.9
69.59173	1.6
71.01382	32.5
71.04633	0.8
71.05020	6.0
72.01701	0.7
73.02949	1.3
83.01380	1.4
85.02941	2.7
87.00898	0.6
88.04031	3.8
89.01936	0.8
89.02449	9.3
95.01389	1.0
99.04525	5.2
100.04859	0.9
101.01801	0.8
101.02439	10.2
102.02788	0.5
103.04017	0.6
113.02460	4.6
116.03535	0.7
116.07175	1.6
119.03502	2.5
120.33671	0.5
125.02448	1.4
128.07144	2.4
129.05568	0.7
133.05089	2.0
137.35269	0.4
138.05627	0.5
141.05573	1.2
143.03497	0.5
146.08228	50.7
147.08549	1.7
161.04555	1.8
174.11284	0.5
177.01814	0.5
200.09323	1.1
218.10255	0.8
237.09840	0.8
263.11301	0.9
265.09201	1.3
308.13525	5.7
337.11343	0.6
362.14532	1.1
380.15598	100.0
381.16132	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	379.2125
Annotation	CHEBI:67681
Peak:m/z	Relative Intensity
56.41292	0.4
57.03456	4.2
59.01378	5.5
61.98822	0.7
65.69830	0.4
69.03455	4.3
69.33495	3.1
71.01375	1.4
73.02942	1.0
83.05016	1.3
85.06573	1.2
91.13348	0.4
92.10113	0.4
95.05021	1.5
96.95994	0.9
101.02429	0.6
110.99052	0.4
119.04992	0.8
123.08153	3.5
137.09654	0.5
145.19911	0.4
149.09764	0.7
161.09712	0.5
174.38808	0.5
217.16060	1.0
243.13939	0.7
245.15500	2.4
255.17577	7.2
257.15308	0.6
259.16995	1.5
261.18573	1.4
273.18524	1.2
275.20129	1.3
279.17587	0.6
283.16968	1.0
295.17072	2.8
297.18600	9.5
298.18997	0.9
299.20157	14.1
300.20633	1.2
301.17645	0.6
313.17963	2.2
315.19595	11.9
316.20032	1.4
317.21207	4.7
331.19189	0.8
333.20670	6.0
334.21082	0.7
335.22162	2.1
361.20154	3.9
377.19730	0.6
379.21249	100.0
380.21591	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	379.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	100.0
58.93254	1.8
59.01378	78.1
63.31601	1.2
69.72971	7.7
71.01382	12.9
73.02951	7.8
83.01398	4.8
83.90073	1.5
85.02922	8.2
87.04527	1.8
90.13818	1.4
95.87418	1.5
97.96627	1.4
99.00867	2.8
99.04519	76.6
100.04873	2.2
101.02440	34.4
101.06100	2.1
103.04009	2.5
113.02432	8.5
125.02449	20.9
131.07147	4.1
143.03459	3.0
159.03015	1.9
161.04550	4.7
201.11320	2.1
209.11833	4.1
235.11845	33.4
236.12280	1.9
277.13004	4.0
321.12143	1.6
379.15976	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	379.1972
Annotation	JBIR-57
Peak:m/z	Relative Intensity
52.80362	0.9
55.01863	1.3
57.03452	11.2
59.01382	89.8
60.01694	1.1
61.98838	2.7
65.56513	1.0
69.61297	5.4
71.01383	17.1
72.99329	1.6
73.02944	11.4
74.83174	1.0
83.01405	3.4
83.05066	0.9
85.02950	14.0
87.00895	1.8
89.02442	16.4
90.19008	1.0
91.04015	2.0
95.01418	0.9
99.00891	2.7
99.04510	5.3
101.01788	1.8
101.02438	17.4
101.06093	3.3
103.03982	4.5
111.76759	1.0
113.02451	8.4
119.03531	1.7
125.02462	2.1
129.02000	1.1
131.07159	8.9
145.08739	1.6
153.13150	1.1
161.04631	3.7
199.13466	2.5
201.11302	10.9
209.11809	19.1
210.12196	1.5
233.06746	1.6
235.11980	2.8
251.07768	5.1
265.09460	2.2
276.47760	0.9
293.08743	7.4
319.17676	2.2
335.18643	1.6
361.18796	10.5
379.16641	8.2
379.19916	100.0
380.20398	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	379.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03448	100.0
58.03796	1.1
59.01379	78.1
69.42444	6.8
69.42834	2.0
71.01380	14.2
72.56583	0.9
73.02946	6.0
78.99483	1.0
81.03458	1.5
83.01369	5.2
85.02953	8.7
86.68903	0.9
89.02452	1.6
99.00854	2.7
99.04517	85.5
100.04852	2.2
101.02439	37.6
105.12082	1.1
113.02448	7.6
125.02444	21.3
143.03487	2.3
156.08060	0.9
159.02983	1.9
161.04597	6.3
161.05688	1.1
166.36353	0.9
190.38545	0.9
235.09503	2.1
235.11855	39.1
236.12245	2.8
238.50482	0.9
244.43671	1.0
245.64388	0.8
277.12866	3.8
317.16083	2.1
342.55792	0.9
379.16061	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	379.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53248	0.6
57.03447	10.7
58.00583	1.4
59.01379	49.9
70.05713	0.5
70.16196	1.5
71.01013	0.9
71.01381	15.0
72.99286	0.8
73.02912	0.9
75.12419	0.5
77.61814	0.5
79.40919	0.5
83.01376	1.2
83.60848	0.5
85.02949	16.6
85.03469	0.9
87.00911	0.7
87.04498	0.7
89.02445	18.7
95.01366	1.2
99.04518	8.3
101.02441	14.9
103.04012	25.8
104.04429	0.7
113.02444	7.8
118.27724	0.5
118.87360	0.5
119.03496	8.9
125.02451	3.1
131.03476	0.8
136.19678	0.5
137.09671	1.2
143.03465	0.8
145.05052	0.9
155.10771	4.2
155.23872	0.5
157.08676	3.3
161.04558	1.9
179.05548	1.0
199.09744	6.2
202.52063	0.6
217.10895	0.8
222.10535	0.6
235.11900	1.5
265.09265	100.0
266.09616	5.5
277.12738	0.6
319.14090	3.0
379.11710	1.3
379.16068	14.4
379.23282	0.6
380.16446	1.4
390.06018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15126	0.6
53.61531	0.5
59.01381	100.0
60.01721	0.7
61.42862	0.6
69.99320	2.6
71.01382	14.4
73.02965	1.8
82.32983	0.5
83.01381	1.4
85.02947	4.1
89.02443	13.0
90.02750	0.6
93.72092	0.6
95.01417	1.2
96.98986	0.5
98.19932	0.7
101.02441	10.7
103.04020	0.7
113.02451	6.4
119.03508	6.7
131.03503	0.7
139.07651	1.0
143.03513	1.1
149.04448	0.7
161.04588	6.1
179.05641	1.2
250.26100	0.5
265.09296	3.9
282.85318	0.6
289.36066	0.6
315.25208	0.7
319.13965	41.8
320.14285	3.5
379.16187	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	379.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	8.3
57.71967	2.2
58.00602	3.7
59.01378	100.0
61.98805	2.4
69.73860	13.2
71.01386	51.0
71.12860	2.6
72.99310	2.9
73.02944	6.1
78.41859	2.5
83.05024	23.5
85.02958	10.1
87.00882	3.3
89.02441	84.7
90.02795	3.0
95.01416	4.7
96.95969	2.8
98.20580	3.4
99.04536	9.6
101.02441	28.6
107.05054	4.3
109.02942	9.3
113.02448	29.0
119.03490	35.3
125.02428	5.8
127.04002	30.2
131.03455	4.4
139.04019	6.6
143.03532	6.3
149.04565	5.6
151.04010	16.9
158.06407	2.4
161.04617	16.4
169.04904	3.5
173.74147	2.2
179.05603	65.1
180.05931	2.8
289.09302	17.2
319.10504	4.1
341.10895	10.7
379.08316	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	379.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80733	1.1
57.03449	76.3
58.03769	1.3
59.01379	100.0
60.01709	2.0
63.41846	1.1
70.15897	4.1
71.01011	1.7
71.01382	23.7
73.02961	9.7
81.03455	2.1
83.01385	3.1
85.02946	10.9
87.00877	5.0
89.02462	2.0
95.01372	1.6
99.00869	3.6
99.04520	75.0
100.04838	1.3
101.02443	30.6
113.02428	9.8
115.66008	1.2
119.03512	1.4
125.02446	38.2
143.03500	2.9
145.05043	3.0
155.47327	1.2
159.02934	2.7
161.04543	15.3
217.07159	9.0
235.08220	31.6
236.08426	1.4
258.70828	1.4
265.09262	2.1
277.09308	14.4
317.12357	2.2
319.13852	2.6
329.87552	1.2
379.12241	5.3
379.16183	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	379.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
57.03448	67.7
59.01379	100.0
68.99575	5.6
69.59316	9.5
71.01379	36.3
71.16333	1.5
72.01756	1.7
72.99306	2.6
73.02950	12.0
74.00521	1.5
75.00851	1.5
81.03463	2.1
83.01379	3.9
85.02950	11.9
87.00867	3.8
89.02476	8.0
90.46795	1.4
95.01372	2.1
98.20627	3.2
99.00866	4.5
99.04515	74.3
101.02438	34.8
101.62710	1.8
111.04550	8.9
112.98589	9.1
113.02449	12.6
115.02058	2.3
119.03493	4.0
125.02441	33.5
143.03485	3.4
145.05077	4.4
146.08215	5.2
159.02971	3.0
161.04536	15.4
173.04559	6.0
180.01492	1.5
187.06131	5.1
217.02937	2.9
217.07124	6.4
235.08209	27.9
263.05789	6.5
265.09183	2.5
277.09314	10.6
317.12228	2.7
341.10779	15.3
343.11954	2.3
379.07263	15.7
379.11261	7.7
379.16382	3.5
380.15408	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	377.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.2
59.01379	100.0
61.98820	2.3
69.16172	6.1
69.16589	2.8
71.01379	17.5
72.99347	1.5
73.02949	5.3
78.95919	2.6
83.01393	3.3
85.02946	10.0
85.46706	0.7
87.00850	0.9
89.02457	5.2
95.01383	2.1
99.00864	2.0
101.02445	14.7
113.02458	8.0
119.03476	1.1
120.73480	0.9
127.11280	0.9
134.06119	1.0
143.03508	1.3
149.04549	0.7
152.99594	5.3
159.02975	1.5
161.04555	9.1
173.06198	0.9
173.15471	2.0
229.98718	0.8
260.04688	0.8
315.61292	1.0
317.19598	0.9
335.20746	26.9
336.21039	2.5
341.10770	1.5
377.08691	1.3
377.20206	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03452	1.4
58.00593	0.8
59.01381	100.0
60.01717	1.0
61.98813	0.2
62.55504	0.2
65.65233	0.2
69.03459	0.3
70.18601	0.2
71.01383	20.0
71.05029	0.6
72.01729	0.3
72.99311	0.7
73.02944	5.6
83.01392	2.8
85.02953	10.1
87.00906	1.0
89.02451	6.4
90.38635	0.2
95.01391	1.5
97.02982	0.6
98.19859	0.5
99.00890	2.2
99.08196	0.3
101.02444	14.7
102.02779	0.4
111.00923	0.3
113.02457	8.0
119.03488	2.3
125.02478	0.5
127.11282	0.4
135.13023	0.2
143.03503	1.4
159.03021	1.0
161.04555	9.0
162.04933	0.4
173.06055	0.4
173.07414	0.2
173.15437	2.3
178.50136	0.2
179.05676	0.3
256.57184	0.2
317.19778	1.1
318.65384	0.3
335.20743	23.6
336.21060	1.7
377.21912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1451
Annotation	Lamiol
Peak:m/z	Relative Intensity
58.00596	1.9
59.01378	100.0
60.01720	1.2
61.98817	2.7
66.50198	0.7
69.90797	2.5
70.58016	0.7
71.01382	28.3
72.99306	2.9
73.02950	4.5
83.01416	1.1
83.05093	1.1
84.86348	0.8
85.02956	6.2
87.00864	1.9
89.02442	42.4
95.01378	2.1
97.06574	1.5
101.02435	13.9
113.02435	11.7
119.03487	15.4
120.99573	0.9
121.06606	1.6
131.03473	2.2
135.04550	0.9
141.05545	0.9
143.03453	4.0
149.04527	1.3
153.09145	2.7
161.04546	4.4
179.05597	10.2
180.41446	0.8
197.08086	2.3
208.03773	1.1
215.09200	3.4
216.09119	0.8
223.06056	2.6
244.08781	0.8
257.11444	2.2
329.33624	0.7
377.08969	1.4
377.14255	4.1
377.21954	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	377.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.3
57.03450	89.9
59.01381	100.0
59.59125	1.0
61.98829	3.0
70.63485	1.0
70.87653	1.7
70.87985	2.2
71.01381	31.0
72.99310	1.6
73.02948	12.3
75.00887	1.3
81.03455	1.6
83.01391	4.7
85.02959	20.0
87.00895	2.0
89.02444	15.0
93.03457	2.8
95.01398	2.4
96.96012	13.9
98.32050	0.9
99.00879	4.5
99.04521	62.0
100.04845	1.7
101.02443	43.8
103.03993	5.1
106.32896	1.3
109.06596	1.6
111.04530	1.4
113.02450	13.3
119.03502	3.8
125.02452	18.0
125.06067	1.4
129.05597	6.1
143.03485	3.5
161.04547	10.1
162.14189	1.1
163.03923	1.0
179.07045	1.0
185.03845	14.5
197.11890	1.7
215.12860	2.8
223.06129	3.5
227.08195	2.1
233.10295	23.9
233.12607	1.2
234.10733	2.5
242.10506	1.2
257.12967	14.0
265.09259	3.9
270.89093	1.0
273.11533	1.2
275.11429	2.6
278.63766	1.0
293.08755	4.3
301.12125	2.1
312.86295	1.1
315.14313	1.9
317.15912	1.3
345.10931	1.6
359.16980	1.4
365.74869	1.1
377.14194	15.2
377.18118	51.2
377.21912	2.9
378.14380	1.7
378.18484	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	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45900	1.0
59.01394	0.9
61.98841	1.0
74.99070	2.8
78.89295	0.9
82.14670	1.0
99.57904	1.0
128.49243	0.9
155.93179	1.0
159.08447	10.3
161.06374	2.3
167.59387	0.9
179.70920	0.8
209.01305	1.5
217.07245	1.0
277.07489	2.6
289.07437	2.5
291.09088	92.3
292.09216	12.1
307.38452	0.8
310.15210	0.9
357.13663	2.5
359.15332	100.0
360.15399	15.0
375.18567	7.1
376.18643	1.4
387.05930	1.0
396.57950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38014	0.9
74.99064	2.4
80.61360	0.3
84.30171	0.3
93.00112	0.4
112.26133	0.3
118.66788	0.3
137.52728	0.3
141.07397	0.3
143.05328	0.6
149.00948	0.6
159.08467	10.2
160.08565	0.5
161.06406	2.2
192.98114	0.5
209.01276	1.8
217.07195	0.9
224.77550	0.3
227.41913	0.3
275.05887	0.9
277.07535	2.2
289.07385	2.1
291.09091	93.7
292.09247	11.4
309.10110	0.9
343.12289	0.3
357.13766	2.1
359.15338	100.0
360.15512	15.4
375.18469	10.4
376.18442	1.5
377.16287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.5
57.03423	1.0
59.01380	40.9
67.01884	0.9
69.03453	1.4
71.01012	1.7
71.01382	26.4
72.99297	1.3
73.02938	3.5
81.03477	1.1
83.01389	1.6
84.61766	0.9
85.02953	7.5
87.00909	1.6
89.02442	19.7
93.79644	0.9
95.01362	2.1
95.05030	5.0
97.06593	2.8
98.03738	6.6
98.20666	2.1
101.02440	14.3
107.05034	6.1
112.41988	0.9
113.02448	10.0
119.03500	7.3
120.99625	0.9
149.09711	2.3
151.11281	68.5
152.11617	3.9
154.09961	1.5
159.02928	1.2
161.04578	2.7
169.12347	13.9
195.10255	100.0
196.10611	6.3
213.11493	1.1
258.48193	1.0
295.17032	1.4
313.18063	1.6
318.37927	1.1
321.18640	0.9
375.18085	3.8
375.23477	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	375.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	1.5
58.97147	0.4
59.01380	3.8
60.89587	0.4
61.98828	4.5
62.44416	0.3
67.96078	0.5
69.86245	1.8
71.01389	3.7
72.99318	0.4
73.02949	1.4
83.01395	0.5
85.02937	2.6
87.00879	3.5
89.02442	0.9
95.01382	0.4
97.32566	0.4
98.20660	0.4
101.02454	2.7
111.00944	0.6
113.02454	1.6
117.03431	0.5
121.02943	3.0
122.03725	1.4
123.04475	0.5
124.01617	0.5
132.35657	0.4
133.02939	0.5
134.03693	0.4
139.00340	0.7
141.85985	0.3
145.02933	2.2
146.03772	0.4
147.04504	0.4
149.02440	35.0
150.03227	47.2
151.03586	1.7
153.01941	0.4
153.05542	0.5
161.02480	2.6
161.04535	4.3
162.03247	3.2
163.04030	1.2
164.04791	17.8
165.05569	100.0
166.05894	5.0
177.05557	2.3
180.04279	2.7
193.30101	0.4
195.06622	18.3
196.07027	0.9
197.00961	0.5
207.06645	0.5
213.07678	0.6
327.10855	7.1
328.11337	0.4
349.69125	0.4
375.09247	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.9921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	68.1
60.01711	0.6
61.98835	1.7
63.13107	0.3
71.43394	0.4
74.60051	0.3
81.26610	0.3
90.18196	0.3
90.53020	0.4
90.97154	1.0
104.70815	0.3
114.98870	0.8
118.96672	0.7
132.98178	1.7
156.99937	2.8
171.97432	0.6
174.99239	24.4
175.65929	0.4
175.99603	0.7
201.02524	3.6
202.02657	0.4
203.02396	0.3
217.00282	100.0
218.00610	3.5
257.73117	0.4
297.16495	0.4
314.98804	1.2
374.99194	7.5
388.32254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.3
58.02876	0.4
59.01381	6.0
61.98832	4.1
63.06028	0.4
64.91582	0.4
66.57454	0.4
67.16566	0.4
67.85210	0.4
69.04847	0.4
71.01382	5.6
71.52502	0.6
72.99290	0.4
73.02955	1.3
83.01404	0.5
85.02946	1.7
87.00871	4.2
89.02444	3.1
93.03486	0.5
95.01372	0.6
99.00890	0.7
101.02416	2.8
108.02121	0.5
111.00896	0.7
113.02420	2.2
117.03494	0.8
119.03506	1.5
121.02953	3.7
122.03765	1.2
134.03700	0.8
135.04543	1.6
143.03488	0.6
145.02943	1.8
146.03696	1.3
147.04552	1.0
149.02437	34.7
150.03230	48.3
151.03568	2.4
159.02974	0.9
161.02487	3.8
161.04543	5.0
162.03227	3.8
163.03944	0.9
164.04785	16.1
165.05565	100.0
166.05927	4.6
177.05539	2.9
180.04327	3.1
181.04774	0.5
195.06616	17.8
196.06868	0.9
206.70480	0.4
207.06549	0.6
208.72388	0.4
291.76230	0.5
296.31580	0.5
307.34003	0.5
321.41632	0.5
327.10858	8.1
328.11212	0.7
351.36960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.2
61.98829	100.0
71.53551	0.8
74.17244	0.7
107.33440	0.5
121.02943	0.7
126.67191	0.6
153.22954	0.6
163.66650	0.6
165.91092	0.7
174.39969	0.7
232.10855	2.5
276.65503	0.6
343.15045	0.8
374.24463	23.8
375.24789	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55515	0.3
52.11409	0.4
57.03439	0.4
59.01378	100.0
60.01710	1.6
61.98827	0.5
65.59047	0.3
70.21580	0.7
70.21921	1.0
71.01380	5.4
73.02969	2.0
75.00858	0.6
83.01379	1.8
83.46334	0.4
85.02937	2.6
89.02425	2.6
96.96024	0.5
99.00871	0.5
101.02448	3.9
106.22066	0.4
109.02900	0.4
113.02444	2.4
119.03520	0.8
120.99638	1.9
121.02966	0.5
125.02449	0.4
129.01939	0.4
135.04541	0.6
148.05322	0.9
149.06044	0.4
151.03954	0.4
152.07181	0.4
161.04628	1.6
162.03389	0.4
165.01917	0.4
167.03568	0.3
190.01691	0.3
211.09882	0.4
285.11465	1.5
291.29889	0.4
297.12399	0.5
329.10947	0.5
331.17609	0.5
342.56369	0.3
373.09177	0.8
373.14691	1.4
373.18774	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03441	0.7
59.01380	100.0
60.01720	1.0
69.03494	0.4
70.60854	0.5
71.01385	9.2
71.54146	0.5
72.99311	0.6
73.02954	1.9
76.31194	0.4
77.33957	0.4
81.03437	0.5
83.01398	2.9
84.35709	0.4
85.02942	5.1
87.00909	0.8
89.02444	2.8
95.01396	1.4
95.04993	0.5
96.96024	0.7
97.02936	0.6
99.00887	1.0
101.02447	3.8
113.02444	5.5
119.03522	0.9
120.99636	2.3
121.02982	0.5
125.02444	0.6
135.04521	0.4
137.02504	0.8
143.03499	0.5
161.04556	3.1
168.03072	1.0
169.03358	1.0
194.02673	0.4
211.09821	0.7
211.13426	0.7
285.11569	0.6
297.09024	0.6
301.20267	0.6
329.11514	1.1
329.19547	0.5
331.17624	1.4
358.76703	0.4
373.09143	0.6
373.13364	1.4
373.18420	1.6
373.22525	2.5
374.13724	0.5
374.22800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
57.03455	0.6
59.01379	100.0
60.01716	1.4
68.37408	0.4
69.45794	2.8
71.01383	7.3
73.02953	2.9
83.01410	1.3
85.02948	2.0
87.00885	0.4
89.02442	3.6
95.01394	0.7
99.00904	0.7
101.02448	4.9
104.12532	0.3
107.05058	0.4
109.02930	0.4
113.02449	3.0
119.03522	1.6
120.99668	0.9
125.02445	0.6
137.02493	1.1
143.03453	0.4
152.03474	0.6
161.04564	2.0
167.03592	0.5
179.05609	0.7
190.22112	0.4
266.67883	0.3
285.11395	0.3
331.17578	2.0
373.13205	1.4
373.17126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1502
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
55.01879	1.3
57.03442	1.1
58.00586	0.6
59.01376	41.2
60.01718	0.5
61.98825	0.8
63.39593	0.3
69.03454	2.8
70.23737	0.3
70.85968	0.8
71.01379	19.6
71.05016	1.2
71.18285	0.3
72.01720	0.4
72.99310	0.8
73.02941	4.1
75.00877	0.4
81.03505	0.3
82.21733	0.2
83.01382	1.8
85.02951	7.3
85.06590	0.7
87.00868	0.8
89.02441	12.0
89.70904	0.2
93.03480	0.6
95.01391	1.7
95.05024	9.1
96.05357	0.5
97.02960	0.7
99.00869	2.0
100.64441	0.3
101.02435	13.3
102.02791	0.3
105.07094	0.6
107.05023	0.8
108.02151	0.4
109.03021	0.3
110.00116	0.3
111.04504	0.4
111.08154	0.8
113.02445	9.5
113.06049	0.6
119.03488	5.5
121.06551	0.3
123.08174	0.5
125.02442	1.8
125.06097	0.7
129.01929	1.0
131.03479	0.5
131.08626	0.7
133.06592	3.9
135.04510	1.2
136.05388	0.3
137.09721	0.5
139.00395	0.4
139.04005	3.3
139.11308	1.0
143.03500	2.2
147.03036	0.6
147.04457	0.5
147.08096	0.5
149.09709	55.3
149.99605	0.4
150.10052	3.0
151.07637	9.9
152.07948	0.5
153.01949	3.2
159.03055	1.4
161.04543	14.9
162.04929	0.4
163.07632	6.4
165.09259	0.4
167.03561	0.4
167.10767	1.8
168.00627	0.6
168.04297	1.2
169.01419	1.1
169.05037	0.8
175.07643	0.8
179.05563	1.5
181.08612	0.5
183.10245	6.7
185.17764	0.3
191.01915	0.5
193.08727	2.0
211.09744	100.0
212.10071	6.5
253.10789	0.5
253.58557	0.3
312.18845	0.3
313.09357	0.4
315.03821	0.3
324.17224	0.3
373.07474	1.2
373.14999	36.1
374.15295	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	373.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.1
57.03456	11.2
58.00587	5.4
59.01375	52.4
61.98816	8.1
63.29299	2.2
65.73251	2.4
66.55759	2.3
71.01380	100.0
71.08492	4.1
72.81564	2.7
72.99285	2.2
73.02948	28.6
77.98129	2.4
83.01385	13.5
84.02222	2.3
85.02459	4.5
85.02950	81.4
86.00066	3.7
86.03249	2.5
87.00867	22.1
89.02452	16.0
92.14567	2.1
95.01381	8.4
96.95992	17.7
99.00893	12.1
99.09339	2.5
101.02435	57.1
102.02748	2.5
108.02184	2.7
109.02937	5.7
111.00841	3.0
113.02440	38.7
115.00387	4.3
119.03544	3.6
122.03715	9.0
123.08144	2.7
124.01646	2.7
125.02428	4.0
129.01932	13.8
132.12308	2.2
133.02931	12.1
134.03706	5.1
135.04556	11.8
137.02417	3.5
137.09698	9.4
143.03487	2.5
146.04610	5.7
147.02977	15.4
147.04565	3.9
148.03296	4.2
148.05231	5.2
148.23245	2.4
149.02396	2.9
149.09702	12.5
151.03928	2.4
151.07672	14.6
154.02756	3.4
159.02927	7.0
161.04573	40.1
161.05913	4.7
163.03946	3.2
165.09135	4.7
167.10767	77.0
168.11072	5.2
179.03412	4.5
179.10667	2.3
191.01956	14.7
191.85361	2.5
193.05138	2.7
196.07370	3.7
203.40875	2.2
209.02954	4.1
211.09735	8.0
239.12929	16.7
242.05785	8.9
257.08307	5.2
267.06735	2.3
270.08994	6.2
271.14496	2.8
285.11249	47.0
329.16025	72.9
330.16379	6.5
373.15167	73.2
373.19717	4.5
374.15387	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	373.1503
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
55.01867	6.3
57.03447	13.3
59.01379	51.5
61.98826	2.5
69.41917	14.9
71.01380	100.0
72.01728	2.2
72.99307	5.4
73.02949	29.4
75.00856	3.7
75.35383	1.9
79.95732	2.5
83.01390	13.2
84.02182	2.3
85.02952	89.0
86.00081	5.1
87.00874	26.3
89.02441	22.4
95.01387	7.7
95.05044	2.0
96.96011	71.9
97.02957	4.2
99.00874	10.9
101.02443	64.1
101.03114	3.8
102.05605	3.3
108.02180	1.9
109.02942	3.4
111.00894	5.7
113.02451	38.7
115.00307	2.8
119.03522	6.2
120.15894	1.9
122.03729	2.9
123.08163	4.2
124.01721	2.7
125.02461	2.2
128.03506	3.0
129.01907	13.6
133.02943	5.0
134.07391	1.9
135.04538	4.8
135.08226	2.0
137.09726	9.1
139.00368	4.8
139.07672	2.6
139.11302	2.9
143.03482	3.3
146.04564	8.0
147.02982	15.8
147.04076	2.2
147.04477	1.5
148.03232	2.1
148.05260	2.1
149.09729	16.2
151.03941	2.0
151.07669	16.5
159.02997	8.4
160.06206	2.0
161.04564	38.5
165.09222	4.1
166.10054	2.2
167.10776	82.9
168.11044	4.1
169.05058	9.1
179.03525	2.6
187.83353	2.2
188.05559	4.6
191.01987	14.5
200.30003	1.9
205.03625	2.4
209.03065	3.8
211.09666	2.2
221.11754	3.9
239.12880	18.8
241.00235	5.1
242.05826	2.3
257.08231	3.2
270.08994	2.3
285.11319	15.3
329.16037	78.3
330.16287	7.8
373.11597	80.0
373.15173	51.7
374.11646	4.4
374.15512	5.9
374.22037	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	373.1288
Annotation	Chamaedroxide
Peak:m/z	Relative Intensity
57.03465	1.0
58.19577	0.9
59.01375	13.0
61.98820	1.5
67.01884	33.4
68.02211	1.1
68.99770	1.3
69.03439	1.5
69.98043	3.2
71.01372	3.9
71.40836	0.9
72.99296	1.0
73.02898	1.3
76.46329	0.9
81.03443	3.8
83.01354	1.8
85.02959	2.7
88.38941	0.9
89.02470	1.3
93.03436	1.9
95.01404	1.0
95.05032	1.3
101.02436	2.0
107.04990	3.0
108.02164	2.9
109.02947	12.5
119.05023	1.2
120.99648	2.7
121.02932	11.4
122.03778	5.0
123.04513	7.7
124.17371	1.1
134.03709	4.3
135.04515	20.1
136.01645	1.2
136.05305	1.3
137.02393	1.6
147.04512	3.0
148.05267	3.1
149.06088	11.7
151.04016	2.3
154.02672	1.3
158.14961	0.8
159.04500	1.2
160.42667	1.1
161.06068	3.6
162.03192	1.0
163.03969	6.2
163.07574	1.5
165.05544	3.0
165.12796	1.2
167.10692	2.2
169.03284	1.3
177.05565	6.5
179.03404	1.8
191.07147	7.5
193.12297	3.1
203.07172	1.9
204.07802	1.7
211.09636	2.0
223.11369	0.9
225.09102	1.4
237.11276	4.7
240.11423	2.1
241.08678	1.2
243.10379	1.1
244.07358	1.0
253.12238	1.4
254.09453	2.0
255.10214	2.2
269.08295	1.5
269.11887	2.3
270.12360	3.6
277.98633	0.9
280.84503	1.0
285.11713	1.2
285.15015	3.8
286.12064	9.3
287.13046	1.3
299.12775	3.7
301.14420	15.2
301.19940	2.1
302.14661	1.8
314.11472	4.7
327.14520	1.5
329.13916	100.0
330.14255	11.1
355.13647	1.9
358.14417	1.2
373.09152	1.1
373.13361	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	373.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
59.01385	8.0
61.98836	2.7
63.86276	0.5
71.01382	9.2
71.08369	0.6
71.08698	0.6
73.02926	1.0
83.01376	1.1
85.02955	5.4
89.02453	2.4
96.96025	3.0
96.96539	0.5
101.02453	2.6
103.04003	1.6
108.02182	3.8
109.02953	12.1
111.00864	0.6
113.02457	1.3
115.00384	6.0
117.03487	0.5
119.03507	1.0
119.05004	1.6
121.02928	1.6
122.03743	22.1
123.00845	1.0
123.04519	1.0
124.01667	12.1
129.01945	12.4
133.02959	30.4
134.03708	1.0
135.04509	4.3
136.01654	0.8
136.34778	0.5
137.02443	4.5
139.00360	1.2
145.02986	1.3
146.03687	2.1
147.01848	0.9
147.02983	15.0
147.04503	10.0
148.05310	7.3
148.07666	0.6
149.06129	0.7
149.09692	0.7
153.01947	0.7
154.02713	6.4
154.16621	0.6
159.04460	0.8
160.05229	2.0
161.04610	1.4
161.06064	10.4
163.04016	5.8
167.10681	0.8
169.05045	2.3
179.03511	1.5
193.08719	1.4
207.06647	0.9
210.06779	0.6
211.09749	1.0
213.05562	2.1
220.24088	0.5
225.05637	0.6
237.05444	0.6
237.34215	0.5
238.06348	0.7
239.07033	0.7
241.05113	4.9
241.08665	0.6
242.05835	15.4
242.99718	4.2
243.06163	1.0
251.07069	1.1
253.04840	0.6
254.05763	1.0
255.06567	3.1
256.07413	1.9
257.08206	6.7
258.08484	0.9
267.06671	2.0
269.08167	5.9
270.08975	13.8
271.09344	1.5
283.09753	2.0
285.11316	100.0
286.11624	8.0
291.12671	1.7
293.06897	1.3
293.12375	0.6
295.06143	1.4
296.06778	0.9
325.10846	1.8
329.10562	1.8
373.02368	4.5
373.09244	15.8
373.14017	1.8
374.09613	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	373.033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05505	0.6
55.01868	0.8
55.54440	0.6
57.03436	2.2
59.01381	9.0
61.98816	3.2
67.01890	0.6
68.99830	0.7
71.01383	8.9
71.05029	0.6
72.99298	2.1
73.02946	2.8
75.00861	0.9
77.08547	0.6
79.95733	1.8
80.96520	1.4
83.01376	6.1
85.02951	10.6
87.00883	4.0
89.02444	2.9
89.77098	0.6
95.01369	0.8
96.96012	70.2
99.00868	7.8
101.02446	6.1
107.05048	0.7
109.02953	7.3
111.00852	1.3
113.02493	3.7
114.99578	0.9
115.00369	13.0
119.03475	0.9
121.02953	1.0
121.06582	1.8
122.03724	1.3
123.04523	0.7
124.01661	1.0
125.02436	0.8
129.01923	2.7
133.02971	5.1
134.03682	1.3
135.04524	5.5
137.02435	1.3
137.09738	0.8
139.00352	1.9
143.03488	0.8
145.02962	1.3
146.04605	1.2
147.02991	2.9
147.04498	4.6
148.05334	3.1
149.06078	50.6
149.09723	1.5
150.03160	1.1
150.06396	2.0
151.03990	1.7
152.98587	0.7
153.01984	0.8
154.02686	1.7
159.03038	0.9
160.38742	0.6
161.02448	14.0
161.04558	2.5
161.06084	2.1
162.02885	0.9
163.04013	3.4
165.01848	1.1
165.05540	3.2
166.67984	0.7
167.10736	3.2
168.04254	0.7
169.05032	2.0
171.04445	0.8
172.41951	0.6
174.03229	0.9
175.02446	8.4
175.03992	8.8
177.00525	1.0
177.01935	13.8
177.05498	1.4
178.99994	0.8
179.03481	2.7
180.98111	2.3
187.03993	1.3
189.02066	0.8
189.05540	2.8
191.01942	2.8
191.03519	1.1
193.05034	8.7
205.04996	1.8
206.02098	3.5
208.56003	0.7
211.09709	1.0
215.03426	0.8
219.02951	18.6
219.06256	0.9
220.03316	1.3
231.06432	1.0
233.04530	12.5
234.04808	0.7
237.04012	23.2
238.04359	1.7
241.00214	3.6
242.05849	1.3
246.63637	0.6
249.07793	1.4
270.08954	0.9
275.05481	1.8
277.03525	17.1
285.11353	5.9
286.11914	0.9
293.06686	6.2
296.94360	0.7
319.04697	6.1
329.16257	3.4
337.05640	55.1
338.05911	5.0
373.03290	9.7
373.11670	100.0
374.03555	1.0
374.12051	6.9
374.21860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
61.98828	100.0
69.19934	12.6
76.79676	1.2
82.82436	1.1
83.01380	18.1
84.01711	3.8
85.02934	1.3
85.13643	1.3
88.92213	1.1
98.20288	6.3
107.48193	1.2
121.02940	4.4
122.03266	2.1
136.05247	2.6
137.05615	2.7
168.04266	2.0
169.04672	1.4
257.08511	1.4
261.47403	1.2
372.15323	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	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
61.98830	100.0
71.52277	1.3
77.32401	0.9
83.01389	21.8
84.01708	4.6
92.64871	0.9
101.02523	1.1
116.56419	0.8
121.02974	4.3
122.03301	2.4
136.05302	5.0
137.05667	2.1
168.04195	1.5
195.65878	0.8
202.36101	0.9
215.15952	0.8
236.10187	1.0
250.18892	0.9
357.12848	1.8
362.58771	0.9
372.15329	12.0
373.15594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.6
61.98831	100.0
71.52376	1.4
73.63543	0.9
83.01391	24.1
84.01715	4.8
94.71834	0.8
98.68504	0.8
121.02964	5.0
122.03293	2.5
123.00826	1.3
136.05312	5.2
137.05656	2.7
168.04352	2.8
169.04663	1.4
199.45584	0.8
210.41754	0.9
235.09724	1.6
236.10103	1.2
253.57124	0.8
283.23401	0.9
290.13263	0.9
328.44257	1.0
349.61673	0.8
357.13181	2.3
372.15329	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	372.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60240	1.7
59.01376	3.2
61.98830	100.0
65.62164	1.6
67.73564	1.7
69.28259	4.0
69.28652	14.3
83.01385	44.5
84.01727	9.9
98.20638	3.8
121.02948	8.3
122.03295	3.8
136.05302	10.9
137.05624	3.3
168.04266	5.8
169.04640	2.8
196.71994	1.8
209.02904	2.0
236.09946	2.5
245.26140	1.8
318.16751	2.0
357.13013	3.6
372.15253	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	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08207	1.0
54.40076	1.0
56.76164	0.9
59.01365	1.7
61.98831	100.0
65.31730	1.0
69.20215	8.4
83.00910	1.7
83.01390	21.0
84.01719	5.2
85.00366	0.8
85.02894	1.2
98.19847	2.0
111.86569	0.9
121.02954	5.7
122.03301	2.5
123.00843	1.2
132.96239	0.9
136.05287	5.6
137.05569	2.4
168.04230	3.6
169.04657	1.8
209.02962	1.2
211.46063	0.9
220.30276	1.0
357.13022	2.1
372.15369	11.3
373.15790	1.2
393.95392	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95459	1.2
57.03432	3.6
59.01388	12.7
60.36285	1.4
66.03471	3.0
69.53857	6.8
71.01386	9.6
83.01376	1.8
85.02953	24.7
89.02423	1.6
101.02435	2.1
103.04008	33.5
117.05579	1.4
124.04042	85.2
125.04362	2.4
138.05609	53.4
139.05969	2.0
144.19057	1.2
159.50705	1.3
166.05070	14.4
179.03476	1.5
242.76988	1.2
247.08217	1.3
270.44794	1.3
311.30646	1.3
364.07166	1.3
372.12979	100.0
373.13342	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	372.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05920	1.0
57.03443	3.3
59.01378	2.2
61.98835	8.1
68.53308	0.8
70.23125	0.9
70.40285	1.3
70.40627	1.8
71.01379	1.7
83.01387	2.8
84.01728	0.8
85.02953	12.6
86.03261	1.0
88.12208	0.8
101.02445	6.1
103.04005	5.5
121.02930	1.2
129.01944	47.8
130.02275	1.4
135.04501	3.1
136.05344	0.9
146.06142	1.0
147.02998	100.0
148.03316	2.8
161.02449	2.1
179.03525	2.9
191.01999	2.3
217.57439	0.8
285.11243	2.7
307.23773	1.0
309.06088	3.1
372.15280	2.2
373.13986	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	371.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01625	0.6
55.01880	9.1
57.03448	8.0
58.00592	2.9
59.01379	56.4
59.85599	0.4
60.01728	0.6
61.98828	0.5
68.99825	0.6
69.03451	1.1
69.34424	3.3
71.01381	100.0
72.01717	1.7
72.99311	3.7
73.02946	32.1
74.03270	0.6
75.00869	2.2
81.03455	0.6
83.01386	35.5
84.01709	0.7
84.02177	1.0
85.02949	46.1
86.00086	1.0
86.03301	1.0
87.00878	4.5
87.04525	0.6
89.02445	24.4
90.02763	0.5
93.03466	1.4
95.01387	7.1
97.02969	2.1
98.20296	1.9
99.00879	12.8
101.02440	79.6
102.02789	1.5
103.03998	0.4
105.98652	0.5
111.00878	1.5
113.02449	44.4
114.02764	0.8
119.03499	8.8
120.99669	2.4
121.02962	6.9
123.00887	0.8
123.08115	0.7
124.01656	1.0
125.02461	5.1
129.01945	2.3
131.03514	1.0
136.05292	7.0
137.06094	0.7
137.09766	0.8
141.01778	0.4
143.03496	5.4
147.04527	0.5
149.04460	0.6
149.09709	1.1
149.99594	1.3
159.02979	11.1
160.03304	0.6
161.04550	59.5
162.04893	1.9
166.05048	0.5
168.00661	2.7
168.04289	2.2
169.01282	0.4
177.01645	0.4
179.05611	1.5
191.01978	0.6
191.03519	0.5
205.03499	1.8
209.02895	2.5
209.04764	0.7
209.15445	9.0
210.15765	0.6
214.41327	0.4
233.15616	0.5
235.09706	1.3
281.08340	0.9
281.58417	0.5
297.11212	0.4
356.12601	1.5
371.15085	8.6
371.20682	60.8
372.15164	1.0
372.21008	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	371.2071
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
51.02343	0.3
55.01876	7.9
57.03163	0.4
57.03448	8.4
58.00599	2.6
59.01378	60.4
60.01700	0.4
68.99819	0.5
69.03456	0.8
71.01379	100.0
72.01712	1.6
72.99309	3.3
73.02944	32.4
74.03283	0.7
75.00864	1.9
81.03459	0.5
83.01385	26.8
84.01700	0.4
84.02164	0.6
85.02949	47.3
86.00077	1.5
86.03279	1.0
87.00877	4.8
89.02442	23.4
95.01385	8.0
96.96047	0.6
97.02957	2.1
99.00879	14.0
101.02439	78.5
102.02782	2.0
103.03946	0.4
111.00868	2.3
113.02448	42.7
114.02782	1.0
115.03984	0.4
119.03493	7.8
120.99633	0.5
121.02957	3.2
121.06554	0.3
123.00834	0.7
123.08159	0.7
125.02428	2.7
129.01950	2.5
131.03482	0.8
134.03737	0.9
136.05292	3.0
137.09720	1.4
138.03238	0.5
139.00406	0.3
143.03506	5.4
144.03917	0.4
149.04686	0.4
149.06064	1.6
149.09666	0.7
151.11221	0.4
157.48334	0.3
159.02985	11.7
160.03354	0.4
161.04549	59.2
162.04897	1.9
162.83948	0.3
165.12816	0.6
168.02992	1.8
168.04272	1.2
179.05569	1.0
191.14545	0.3
196.04333	0.3
197.04628	0.4
200.61497	0.3
205.03520	1.3
209.02989	1.4
209.15454	11.5
210.15814	1.0
235.09818	0.8
279.15948	0.6
285.72235	0.3
289.11017	0.4
327.13095	0.4
356.12509	0.8
371.15237	4.9
371.20688	64.5
372.16077	0.7
372.21039	7.6
388.49844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
57.03442	1.4
58.99582	2.9
59.01376	36.3
61.98825	9.2
62.98531	0.6
64.13369	0.5
70.67811	1.4
71.01376	6.8
71.05012	0.7
72.99312	1.0
73.02940	5.2
74.99085	1.1
75.00861	0.9
77.00652	0.7
83.01382	22.0
83.05020	2.8
85.02949	9.2
87.00854	1.3
89.02444	1.6
93.03450	1.3
95.05044	1.6
96.96005	15.7
97.02943	1.1
99.04536	0.8
101.02450	3.1
102.98585	7.4
107.05045	0.6
108.02188	1.4
109.02916	1.8
109.06553	0.6
111.00857	1.1
111.04507	1.0
113.02462	1.2
115.00367	0.7
119.05039	0.7
120.99628	2.3
121.02952	6.6
121.06596	0.7
123.04470	0.9
129.01927	2.0
130.08702	1.8
133.01369	0.7
133.02945	1.7
134.03711	1.2
135.04486	2.3
135.08101	1.1
136.05280	7.2
137.06102	3.0
145.02888	1.8
145.10201	0.6
146.03783	3.3
147.01167	1.0
147.03036	1.3
147.04497	7.2
149.06026	1.0
152.03516	0.9
153.05559	0.9
157.10133	1.1
158.03659	0.7
159.04500	1.4
162.77701	0.6
166.01445	0.7
167.03502	1.6
168.02959	2.5
168.04283	2.4
175.11241	2.4
177.12840	1.8
183.11795	3.1
190.02620	1.2
191.00166	3.3
191.01944	1.8
191.03506	1.2
193.12270	1.9
197.04437	1.0
201.12828	11.5
202.13153	1.5
205.12338	1.4
209.01216	0.7
209.03004	10.8
210.03732	0.7
211.13274	0.9
219.13867	4.9
225.05606	0.8
237.14758	0.6
239.07108	1.2
246.34206	0.6
251.07080	1.5
252.07697	1.2
253.05032	1.1
267.06732	2.8
267.16013	1.9
268.07333	3.4
283.09647	6.1
284.10028	1.0
285.17041	4.5
291.09613	1.2
291.12680	18.0
292.13193	0.8
308.14349	1.2
311.11438	1.1
311.14999	15.0
312.15237	1.4
327.09497	0.9
329.16022	100.0
330.16345	9.8
355.43982	0.6
356.12573	2.6
367.66034	0.6
371.17255	59.3
372.09641	3.1
372.17374	5.7
372.21201	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01721	1.1
60.18941	0.7
60.66018	0.7
63.97421	0.6
66.23738	0.7
69.03454	2.1
69.17995	7.2
71.01387	1.9
79.01917	2.1
83.01385	14.3
84.04505	0.7
85.02951	5.1
88.98823	1.7
91.11120	0.7
96.96010	7.9
97.02959	1.7
107.01396	7.4
120.99689	3.0
121.02958	4.6
123.00903	1.4
123.04579	1.9
125.02468	2.4
129.01952	1.1
135.00925	2.3
136.05310	5.5
147.03163	0.8
147.91489	0.7
151.00380	5.6
164.81676	0.7
166.02710	26.8
167.03487	9.7
167.07162	0.9
168.04274	1.3
191.02022	1.1
191.03539	1.3
193.05156	0.9
209.02957	4.1
235.09875	1.1
311.07968	2.6
356.12662	1.5
371.10245	8.5
371.15222	6.0
372.15527	0.9
385.55646	0.8
390.72092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60631	0.4
55.01872	1.0
57.03436	1.0
59.01379	100.0
60.01706	1.0
61.98843	1.8
62.05925	0.5
63.90023	0.6
69.37084	3.8
71.01366	2.9
72.99297	0.5
73.02952	1.1
75.00839	0.6
75.90717	0.4
82.43686	0.4
83.01384	16.5
84.01723	0.6
85.02952	6.7
87.00842	0.5
89.02457	1.9
93.03490	1.0
96.96022	1.6
101.02464	1.9
107.01430	0.6
111.00887	0.5
113.02465	1.3
118.98122	0.7
119.03549	0.9
120.99690	1.2
121.02957	5.0
125.02433	0.7
129.02005	0.6
130.08707	0.7
133.39334	0.5
135.04575	0.6
136.05295	5.0
137.06107	0.8
166.02682	2.7
167.02164	0.8
167.03485	4.4
167.07173	1.1
168.04303	1.7
191.02042	1.3
201.26570	0.5
209.02980	5.4
209.08232	0.5
219.13986	0.9
230.82957	0.6
235.09839	0.8
311.07745	0.7
356.12842	1.5
371.09891	1.2
371.15021	9.3
371.22446	1.0
372.15256	1.1
372.21426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1134
Annotation	Clauslactone P
Peak:m/z	Relative Intensity
51.34602	0.8
52.13409	0.7
55.01865	3.7
56.37993	0.8
57.03425	1.1
59.01165	0.6
59.01383	8.0
59.72364	0.7
62.54263	0.8
62.66236	0.8
69.34276	5.4
71.01367	3.1
83.01385	100.0
84.01711	2.2
85.02953	6.0
89.02419	0.8
93.03450	2.0
96.95954	1.2
99.71771	0.7
119.05009	3.6
121.02951	30.7
123.00880	4.3
131.20454	0.8
135.04509	2.0
136.05299	26.2
137.06013	0.9
138.03198	2.2
139.49290	0.9
145.02943	1.2
147.03020	0.7
147.03297	1.0
147.04520	11.3
148.05301	10.5
149.02399	1.0
150.03230	1.4
151.04016	1.0
161.06088	5.1
162.03217	2.1
162.06763	1.7
163.03963	1.3
168.04271	14.1
169.04503	0.8
175.03995	1.0
176.04781	2.4
180.04218	2.3
189.05579	1.4
191.01910	1.8
191.03482	23.1
191.07118	16.7
192.04112	3.5
194.05809	2.7
206.05798	2.3
207.08159	1.0
209.03017	7.6
211.07622	1.3
220.03673	2.4
223.07632	1.4
224.03192	4.0
233.04356	1.6
235.05951	5.0
235.09644	4.3
238.04773	7.4
239.07159	3.1
249.05591	1.1
250.06291	1.5
251.07103	5.1
252.07620	1.8
263.07050	3.4
264.07782	1.8
266.05652	1.0
267.06601	11.3
268.07306	3.3
277.05035	1.3
279.06549	7.8
279.09238	1.1
280.06992	1.2
282.08994	4.1
283.09756	0.8
290.79095	0.8
294.05322	2.4
294.08966	3.1
295.06049	3.2
297.11340	1.7
299.12897	1.6
307.06204	1.7
309.07721	7.1
310.08145	1.8
311.05569	1.0
322.08408	2.4
323.05719	6.3
323.09006	1.5
326.07959	4.1
327.08682	3.5
327.12433	4.5
334.62329	0.9
338.08002	9.2
341.10260	15.8
342.10428	1.9
353.10303	26.8
354.10651	3.0
356.12628	9.5
357.12515	0.9
371.11090	12.4
371.14969	49.3
372.11087	1.3
372.15683	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	371.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.5
55.01850	0.4
57.03445	0.6
59.01379	10.8
61.98797	0.7
67.01881	0.4
69.03448	12.4
69.19425	1.6
69.19850	1.3
70.03780	0.5
71.01367	1.5
73.02921	0.9
79.01886	10.5
80.02237	0.5
81.03456	0.5
83.01380	7.8
85.02949	3.7
87.00861	0.3
91.39887	0.3
93.03470	0.6
95.01382	2.5
97.02949	7.1
101.02440	0.9
103.88690	0.3
107.01383	28.7
107.05048	0.4
108.01702	0.5
113.02424	0.5
120.99649	0.4
121.02950	3.1
123.00883	4.5
123.04510	0.4
125.02445	11.9
129.01956	0.6
133.02962	0.9
134.03819	0.5
135.00879	31.0
135.09695	0.4
136.01553	1.2
136.05295	2.9
137.02480	0.3
149.02448	1.2
151.00366	15.8
152.00818	0.7
153.01900	0.6
160.22926	0.3
163.03987	1.1
165.01894	0.4
165.09178	0.4
166.02705	100.0
167.03485	46.2
168.03899	1.8
174.57115	0.3
177.01939	2.6
179.03516	0.6
191.01961	0.4
191.03520	0.5
209.02950	1.2
209.04625	3.6
216.89058	0.3
221.04527	0.8
230.06715	0.4
311.07727	0.4
320.86072	0.4
339.07248	1.1
356.12805	0.6
371.09793	12.1
371.14954	3.6
371.20010	0.6
372.10196	1.3
372.15012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
56.40965	0.7
57.03450	7.5
58.00587	0.8
59.01380	8.4
61.24010	0.6
65.59809	0.6
68.99810	1.0
69.67164	3.7
71.01376	8.0
72.99307	2.2
73.02936	0.8
75.00882	3.1
75.95977	0.6
83.01371	3.3
84.02170	1.7
84.90114	0.6
85.02949	60.2
86.03298	0.9
87.00876	1.6
89.02423	4.4
97.23337	0.7
103.00378	1.6
107.49184	0.7
111.00872	4.0
115.00377	1.3
129.01930	4.2
133.01418	3.9
135.04495	1.9
136.05351	0.9
147.03012	3.5
173.00923	1.4
191.01979	22.1
192.02368	0.9
209.03021	100.0
210.03346	3.7
251.05611	1.0
306.26465	0.8
371.05954	1.0
371.10117	1.0
371.14755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.6
57.03451	8.7
59.01372	6.2
68.99818	1.0
70.70612	1.6
70.70942	1.0
71.01381	7.4
72.99304	1.9
75.00866	1.4
76.65911	0.6
83.01385	2.2
84.02175	0.8
85.02945	68.0
87.00887	1.4
89.02446	3.2
103.00361	1.3
111.00880	2.9
129.01920	4.8
132.55290	0.7
133.01439	3.8
135.04501	3.6
147.02975	4.1
173.00845	1.8
179.03522	1.3
191.01967	24.2
192.02429	0.9
209.03012	100.0
210.03368	3.5
371.05988	0.8
371.10611	1.9
385.11923	0.7
389.21170	0.7
393.70560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74081	0.5
55.01874	1.2
56.73659	0.4
57.03447	8.1
59.01374	7.1
60.98313	0.4
68.44322	0.4
68.99803	0.6
69.58003	1.9
69.58419	1.1
71.01378	10.1
72.99308	2.0
73.02952	0.8
74.00083	0.5
75.00881	2.2
83.01402	3.0
84.02165	1.6
85.02950	69.7
86.03278	1.9
87.00878	2.6
87.01614	0.5
89.02439	3.6
99.00846	0.7
101.02438	0.7
103.00372	1.6
111.00890	3.5
115.00367	1.1
122.31870	0.5
129.01958	6.7
130.02278	0.5
133.01418	4.4
135.04546	4.2
147.02997	4.7
148.05362	0.7
150.05826	0.5
168.26448	0.4
173.00893	1.5
176.60649	0.5
179.03484	1.7
182.25041	0.4
191.01971	22.9
191.05621	2.0
192.02284	0.8
209.03014	100.0
210.03349	3.4
213.04832	0.4
235.06084	1.0
251.05539	0.5
280.25879	0.5
371.05887	0.8
371.09964	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	371.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
57.03201	0.7
57.03452	8.9
59.01373	7.2
68.99806	1.3
70.84557	1.1
70.84872	0.7
71.01378	9.1
72.99300	2.7
75.00872	2.1
78.79506	0.7
83.01394	2.5
84.02175	2.1
85.02950	72.8
86.03288	2.2
87.00873	2.4
89.02430	4.2
91.66106	0.6
103.00378	1.0
103.02689	0.6
111.00861	3.8
115.00402	1.0
118.18111	0.6
124.77991	0.7
127.68999	0.6
129.01939	6.5
133.01445	6.2
135.04509	2.7
147.02983	5.2
173.00919	2.6
179.03461	1.5
191.01965	25.3
192.02315	1.0
209.03023	100.0
210.03380	3.8
228.57063	0.6
258.83664	0.7
265.07938	0.6
277.58643	0.7
371.09991	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17595	0.5
55.01868	0.7
59.01390	1.1
61.98832	100.0
62.93838	0.4
71.01404	0.5
83.01389	23.5
85.02958	0.9
90.80997	0.4
91.04901	0.6
121.02956	10.5
121.03767	0.9
123.00938	1.1
135.66631	0.5
136.05286	5.8
138.03238	0.6
168.04300	2.5
209.03152	1.4
223.20244	0.5
235.09756	1.6
356.12851	2.0
371.14975	11.6
371.19507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
59.01379	2.2
61.98830	100.0
66.03547	0.7
69.78093	4.3
73.77382	0.8
83.01385	29.7
85.02943	2.2
87.72680	1.0
87.85138	1.1
98.19992	1.6
100.15980	0.7
121.02952	8.6
123.00867	1.1
130.83339	0.9
136.05298	8.6
168.04257	3.1
209.03006	2.7
235.09769	1.8
257.58936	1.0
319.83334	0.9
342.13977	0.9
356.12686	2.6
371.14975	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	370.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23018	1.4
54.91969	1.4
55.01865	3.8
55.84516	1.2
59.01372	5.7
61.98830	68.1
66.56841	1.1
71.01362	1.5
78.02863	1.5
79.99878	1.2
83.01384	100.0
85.02952	4.7
121.02963	29.1
123.00864	4.7
136.05301	28.8
138.03209	3.7
168.04288	21.0
191.01807	2.1
209.02933	6.6
235.09755	5.6
275.93005	1.5
282.01169	1.3
296.23141	3.2
324.66443	1.6
356.12717	9.6
371.14984	57.5
373.74612	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0824
Annotation	5-Hydroxy-6-methoxy-7-O-beta-D-glucosylcoumarin
Peak:m/z	Relative Intensity
55.01875	3.5
57.03446	13.4
59.01365	3.0
68.99794	1.3
69.88236	5.4
71.01375	6.6
72.99304	2.5
73.02954	2.2
75.00885	2.2
83.01379	7.4
85.02946	63.1
86.03269	2.1
101.02454	6.4
103.00379	1.5
106.70641	1.1
106.71998	1.1
111.00878	24.8
119.05028	3.2
129.01938	22.2
143.03496	1.6
147.02963	2.5
161.04529	1.4
163.03973	2.8
163.53136	1.2
187.02443	1.8
205.03519	26.7
223.04573	100.0
224.04919	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
57.03447	13.9
59.01380	3.5
71.01369	7.7
72.99303	2.1
73.02946	1.3
75.00887	2.8
75.65198	0.9
83.01373	8.0
84.02155	3.1
85.02947	66.1
86.03294	1.4
87.00798	1.0
101.02435	6.6
103.04034	1.3
111.00877	30.2
112.86790	0.9
113.62188	1.0
119.05006	4.4
129.01938	26.1
147.03047	2.3
150.55957	0.8
161.04549	2.5
163.03944	3.4
187.02451	1.4
205.03513	32.1
206.03735	1.5
223.04576	100.0
224.04872	3.9
367.28610	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.3
57.03449	18.7
58.90329	0.7
59.01369	2.4
67.01878	1.8
71.01385	5.8
71.18649	1.4
71.95576	0.8
72.99294	2.0
73.02943	1.5
73.35980	0.7
75.00880	2.1
83.01385	8.7
84.02171	2.6
85.02953	100.0
86.03279	2.6
99.00887	1.2
101.02449	4.7
103.00331	0.8
105.03473	1.4
111.00879	25.3
119.05028	8.8
122.42756	0.9
123.04568	0.9
129.01947	37.1
130.02274	1.2
133.02960	3.8
145.02946	1.0
147.03036	3.8
161.04527	2.4
163.04015	8.6
177.01994	1.3
187.02467	1.7
191.01956	5.7
199.59523	0.8
205.03514	21.9
206.03856	0.9
223.04573	33.4
224.04999	1.6
342.80460	0.7
364.04449	0.8
369.08328	1.2
369.89337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.5
57.03445	19.6
59.01369	2.7
67.01871	1.3
67.97306	0.9
68.27845	0.9
68.99791	0.8
69.22415	6.2
69.22830	2.0
71.01376	7.6
72.99296	2.0
73.02938	2.3
75.00870	1.5
83.01380	10.0
84.02171	2.1
85.02947	100.0
86.03282	2.0
87.00900	1.3
99.00873	1.3
101.02441	6.8
103.03990	1.0
111.00877	28.3
119.05024	9.8
129.01942	42.3
130.02254	1.5
145.02979	1.8
147.02960	1.2
161.04510	2.6
163.03990	7.0
187.02481	2.4
205.03522	24.0
206.03923	1.4
216.51489	0.9
223.04572	48.7
224.04913	1.7
242.32990	0.9
369.08133	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2642
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
59.01383	1.2
59.54771	0.6
61.98821	1.4
63.17192	0.6
65.15961	0.6
70.53595	1.8
74.87216	0.5
109.79096	0.7
133.06596	8.3
144.38509	0.6
149.09715	76.1
150.10074	4.6
205.15971	40.7
206.16362	2.9
293.21036	0.7
295.17065	2.5
307.66296	0.7
311.55591	0.7
328.16702	1.6
367.26401	100.0
368.26764	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	367.264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51875	0.7
59.01374	1.5
61.98822	1.1
62.02134	0.7
62.24692	0.8
66.35662	0.7
78.05509	0.7
81.13129	1.0
89.51855	0.8
91.58707	0.7
133.06569	2.0
143.30789	0.9
144.69615	0.8
144.83833	0.7
149.09717	69.7
150.10046	3.3
158.26430	0.7
161.43275	0.8
205.15961	68.7
206.16284	4.7
223.20726	1.9
223.32768	0.8
252.44810	0.9
267.19589	1.9
285.20786	2.7
367.26389	100.0
368.26770	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	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.9
57.03449	21.2
58.03797	1.0
59.01372	3.0
60.07253	0.8
67.01886	1.8
68.87097	0.8
68.99812	1.7
69.74465	4.2
71.01379	7.0
72.99301	2.2
73.02940	3.0
75.00871	2.5
77.52742	1.0
83.01385	11.3
84.02169	3.5
85.02947	100.0
86.03291	2.1
87.00870	1.9
88.25568	0.8
91.54012	0.9
98.20593	1.5
101.02459	5.7
111.00878	32.1
112.01195	1.4
117.03516	0.9
119.05016	10.8
129.01933	41.8
130.02251	1.0
145.02968	1.4
147.03027	1.8
161.04547	2.8
163.04022	12.2
175.02367	1.3
179.05530	0.9
187.02397	1.5
205.03520	23.7
206.03835	1.0
223.04570	45.0
224.04999	2.6
247.06583	0.9
270.36322	0.8
359.26480	0.7
369.07898	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38198	0.8
59.01382	4.5
61.98841	1.1
71.52856	1.1
75.60940	0.7
120.79851	0.8
138.12683	0.7
148.19690	0.8
277.21710	100.0
278.22073	8.9
367.27090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.3
59.01377	100.0
60.01739	1.0
61.98825	2.5
71.01365	5.5
73.02929	1.6
83.01382	1.3
85.02958	6.5
89.02450	1.3
96.96032	1.4
98.20668	1.0
99.00886	1.0
101.02436	4.7
102.60258	0.5
111.00864	1.0
113.02451	1.7
113.48430	0.5
122.81031	0.5
129.01947	1.2
134.03754	2.1
135.04539	0.9
149.06061	0.9
161.04556	4.6
163.04027	1.0
175.03967	1.1
176.04779	5.3
191.01945	0.6
191.05614	1.4
191.07202	2.6
193.05046	1.4
205.07224	0.6
235.06114	7.0
236.06392	0.7
261.07794	0.7
307.17599	14.6
307.21021	0.8
308.18030	1.6
367.18790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68179	0.5
59.01381	3.7
69.17711	4.8
94.70877	0.5
121.02930	0.8
122.52982	0.6
147.04527	1.7
148.05315	100.0
149.05638	4.4
163.07657	68.2
164.07965	3.5
188.29056	0.5
193.78857	0.5
278.11401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38786	1.9
58.14707	2.0
59.01382	12.3
61.98830	100.0
62.43097	2.3
63.24741	2.1
68.51738	2.2
96.06567	2.2
102.96902	2.5
146.50253	2.1
229.07288	3.0
295.41898	2.1
307.10352	5.4
367.16406	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	367.1183
Annotation	9-O-Methylglyceofuran
Peak:m/z	Relative Intensity
59.01351	1.6
60.75944	0.5
61.98813	0.5
66.77180	0.5
70.29597	0.5
77.11079	0.5
78.95872	0.5
79.91288	0.5
82.63952	0.5
96.95988	1.2
98.20265	4.1
125.02422	0.7
133.96796	0.6
145.02925	2.2
184.84265	0.6
192.04211	1.5
193.06557	1.4
194.07140	0.6
199.13367	3.9
205.06520	3.3
206.07333	3.5
207.06534	2.6
207.08221	1.0
217.06648	0.7
221.06114	3.1
222.06859	4.5
232.05215	1.1
233.06076	6.3
234.06773	2.8
235.03958	1.9
235.07588	2.7
248.04445	0.6
249.05510	6.7
250.06328	9.2
251.06828	0.9
253.08560	1.3
261.05554	4.8
262.06033	1.2
263.07040	1.2
264.07880	1.3
265.08636	8.1
267.06580	2.4
277.04993	6.7
278.05682	1.0
280.07108	1.0
281.08170	7.2
282.08359	0.8
292.07294	3.0
293.08127	5.6
294.08575	1.3
296.10529	4.3
305.04672	0.7
308.06943	3.2
309.07657	81.5
310.07977	7.5
319.06314	0.7
320.06821	2.8
321.07651	25.6
322.08310	8.3
323.09045	2.3
324.09964	5.5
335.09137	5.5
336.09998	19.8
337.07150	100.0
337.10587	6.1
338.07544	11.2
338.11429	1.4
351.08704	17.3
352.09476	56.0
353.09824	5.2
367.11826	80.8
368.12137	10.8
376.30185	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
57.03447	14.5
59.01379	36.1
61.98823	5.7
69.03433	1.4
71.01378	5.1
71.54372	1.4
71.99104	0.9
72.99295	1.6
73.02934	1.0
74.99104	0.8
81.03458	1.1
83.01391	6.3
83.05023	1.1
84.02161	5.0
85.02950	100.0
86.03277	1.4
87.00874	1.0
89.02446	1.6
96.96016	25.0
97.06572	1.4
99.04506	1.1
101.02408	2.5
105.01923	1.8
108.02197	0.9
111.00884	11.9
113.02414	1.7
117.03496	4.2
119.04988	0.8
121.02965	1.2
121.59914	0.9
125.02448	2.1
129.01947	21.5
132.02231	0.8
134.03745	52.9
135.04539	2.7
137.02426	2.6
137.09662	1.1
141.05562	0.9
143.07137	3.7
145.05052	2.5
147.02998	13.8
149.06064	9.0
160.01656	12.6
161.02359	4.1
161.04628	2.0
162.03264	2.0
173.00912	6.0
173.06042	1.4
175.03993	22.1
176.04518	1.3
178.02673	1.6
185.04587	1.1
189.05568	1.6
191.01970	22.1
191.07230	0.9
192.02412	1.1
193.05054	38.0
194.05449	1.7
202.06198	1.5
203.03596	1.0
204.07916	4.6
205.07140	7.1
207.06517	1.4
217.08530	1.1
218.05818	2.5
233.08243	2.0
243.15950	4.5
261.07666	15.4
262.08136	1.3
307.17618	2.9
323.07724	4.0
323.11642	7.7
367.06601	2.7
367.14215	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	367.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.7
55.16578	0.6
57.03448	11.6
59.01379	9.1
60.25500	0.5
61.98837	2.6
64.96033	0.5
67.01913	0.5
68.99799	0.5
71.01385	3.0
71.53900	0.9
72.44182	0.6
72.99317	1.1
83.01392	2.0
84.02171	2.1
85.02952	100.0
86.03288	1.4
87.00887	0.9
93.03452	3.0
96.96017	1.2
100.70871	0.5
101.02441	1.3
103.00378	1.3
103.89701	0.5
111.00874	1.8
111.04517	0.7
115.00358	1.1
119.03493	1.7
119.05034	3.7
129.01915	3.5
132.02162	4.1
134.03758	7.5
135.04440	0.6
137.02400	0.7
142.06616	1.1
143.07014	1.6
147.03012	31.1
149.06076	2.0
160.01669	20.8
161.02368	1.8
163.04039	1.7
173.00900	0.9
173.04547	10.5
175.04008	23.3
176.04347	1.0
191.01982	48.1
192.02321	2.0
193.05064	6.2
199.55946	0.6
205.07143	1.3
227.40549	0.5
261.07596	0.7
278.36099	0.6
307.17081	0.6
323.07663	7.2
324.07983	0.8
367.06732	0.7
367.12372	2.4
367.18710	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84261	0.3
59.01376	1.5
61.98828	100.0
67.83372	0.3
71.01367	0.4
71.31316	0.4
72.06789	0.3
72.99310	0.6
89.02423	0.4
91.83122	0.3
96.96033	1.3
97.06561	0.3
104.55254	0.4
112.98828	1.2
119.05097	0.4
128.06281	0.3
137.54376	0.3
142.99924	0.5
149.06107	0.3
153.05536	0.5
159.53786	0.4
167.07193	0.6
173.00926	0.4
174.01665	1.4
271.08176	0.5
367.14301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.3
59.01378	9.4
60.01723	0.7
61.98829	100.0
70.70281	0.9
71.01383	1.4
72.64877	0.3
73.02963	0.4
79.57467	0.3
85.02964	0.8
85.62823	0.3
89.02461	0.9
100.52910	0.4
101.02477	0.9
104.45338	0.3
126.72388	0.3
134.03801	0.4
160.04037	6.3
161.04561	0.6
173.01025	0.4
193.05022	0.7
231.66324	0.3
269.16281	0.3
294.47919	0.4
297.87100	0.4
306.12863	1.0
312.36462	0.4
345.94348	0.3
366.08551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04938	0.5
57.32339	0.5
59.01382	0.8
61.98830	100.0
69.41966	1.7
69.42389	2.3
88.39896	0.6
89.02437	0.7
89.52470	0.5
98.20139	2.2
102.49730	0.5
114.55692	0.5
118.96001	0.6
135.74004	0.6
138.74156	0.5
140.12373	0.6
142.99820	0.7
153.05565	0.7
167.07220	0.8
174.01723	1.3
251.34132	0.6
264.31509	0.5
289.30081	0.6
292.12842	0.6
316.54608	0.7
344.53299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2693
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01384	5.6
60.94477	1.0
61.98806	1.2
61.99733	0.9
71.52920	1.3
73.78581	0.9
75.66550	0.8
77.90182	1.0
85.06593	4.4
99.82660	1.0
152.92781	0.9
180.61702	1.0
199.13426	1.9
211.79657	0.9
279.19662	18.7
280.20026	2.1
327.13599	1.0
334.86722	1.1
347.25998	7.1
365.26935	100.0
366.27277	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	366.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38891	0.2
59.32344	0.2
59.72496	0.2
69.63405	0.9
116.05069	3.0
119.04870	0.2
134.38216	0.2
151.68210	0.2
159.03296	0.7
160.04033	100.0
161.04385	4.6
204.02994	4.7
205.03419	0.2
220.76086	0.2
284.90848	0.2
366.08258	20.9
367.08484	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
56.01352	1.1
57.03447	100.0
58.03781	1.7
59.01377	78.8
69.94949	4.0
71.01383	10.8
72.79979	0.9
73.02945	9.1
80.67309	1.1
81.03446	1.6
83.01384	4.0
85.02952	8.8
89.02449	2.9
96.96011	1.2
99.00866	2.0
99.04517	72.2
100.04849	2.0
101.02438	38.3
103.03999	6.0
113.02442	8.3
117.05533	4.9
119.03479	1.9
125.02451	18.2
136.30183	1.1
139.03392	1.1
143.03458	1.8
144.11481	1.1
149.57486	1.2
161.04576	5.5
172.97319	1.1
173.57437	1.0
193.09763	1.2
195.44662	1.2
221.10289	37.3
222.10722	1.2
234.89601	1.2
247.08125	1.0
263.11255	3.7
265.09222	3.2
303.14478	2.4
307.10373	3.1
365.14426	20.8
366.14957	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
57.03450	100.0
58.03777	1.6
59.01378	75.9
67.91894	1.2
69.65962	7.9
71.01386	16.1
73.02951	20.8
83.01376	4.4
85.02947	18.6
87.04513	14.9
89.02448	2.9
89.68073	1.3
97.02952	3.5
98.20174	4.4
99.00872	1.8
99.04523	69.5
100.04871	1.8
101.02446	35.2
103.04026	14.1
113.02430	7.5
115.03983	5.5
117.05583	20.3
123.70730	1.3
125.02431	14.9
143.03555	2.4
159.02939	2.9
159.06589	4.6
161.04489	4.4
219.60030	1.3
221.10309	32.3
247.08107	2.2
263.11276	4.8
265.09229	4.5
321.11823	8.2
365.14380	30.2
365.18253	6.4
366.14865	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	365.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	100.0
58.03777	1.7
59.01376	73.4
64.24479	1.1
69.59249	6.4
69.59558	2.0
71.01387	11.3
73.02943	7.3
81.03449	1.2
83.01389	3.4
85.02944	8.2
89.02443	3.6
93.41073	1.0
95.91899	1.0
99.00872	2.3
99.04513	81.2
100.04823	2.2
101.02437	36.1
103.04007	3.2
113.02430	7.4
117.05566	4.6
119.03510	1.1
125.02435	20.2
143.03487	2.3
159.02962	1.7
161.04538	7.8
186.79852	1.1
197.66162	1.0
221.10292	37.4
221.12483	1.8
222.10716	1.9
263.11362	3.2
265.09268	2.3
303.14252	1.5
307.10233	1.7
316.07263	1.1
324.12073	1.1
365.14520	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	364.9635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.8
61.98827	100.0
62.22285	0.5
63.99258	0.4
71.51569	0.5
73.53397	0.4
78.91907	0.5
80.89936	0.4
80.91664	1.0
96.67651	0.4
105.17091	0.4
125.40682	0.4
135.95671	0.7
180.94148	8.4
206.97440	5.2
215.21616	0.4
217.15503	0.4
219.97768	1.6
220.99532	1.7
222.95189	74.9
223.95230	0.6
223.97174	0.8
227.25908	0.4
241.22015	0.4
310.61343	0.4
322.95502	0.6
325.96729	0.4
364.96609	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55743	3.5
58.27459	3.5
59.01377	100.0
59.67240	2.9
60.01712	14.4
61.01793	7.1
61.98829	79.3
102.86236	4.1
129.99719	3.4
158.37376	3.3
198.40300	3.7
219.06940	10.2
220.07059	20.1
221.06969	3.7
246.93608	4.1
267.83035	3.6
269.12762	3.5
288.13580	14.3
299.54434	3.7
302.16614	8.0
303.16727	10.1
304.16599	92.8
305.16489	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	364.0312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.9
61.98832	100.0
63.02401	3.8
65.00323	5.1
71.01395	2.6
82.44283	1.0
83.01372	5.1
89.02431	1.0
93.03444	1.5
96.96029	1.7
101.02440	1.3
107.01392	10.1
121.02963	10.5
139.03981	1.2
149.02457	1.2
151.00371	43.1
152.00749	2.1
152.99663	1.3
161.02470	1.8
161.06082	35.5
169.01379	1.2
178.08788	1.4
178.99858	20.1
193.01300	1.1
229.04999	1.5
234.11389	4.1
264.12524	1.1
273.04062	3.1
301.03525	90.4
302.03885	8.9
320.14963	2.3
343.64334	2.2
363.21915	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31617	29.6
58.31610	23.2
59.01376	94.2
67.92329	29.5
68.99619	28.4
70.26135	100.0
78.73359	23.8
89.45903	24.6
106.91810	26.7
149.33255	29.5
163.97954	29.5
170.83720	29.0
182.92523	26.2
217.29710	28.0
231.63097	35.7
264.51724	29.6
276.96136	28.9
291.35925	26.2
301.26746	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20869	13.9
52.58979	13.9
56.99039	12.5
57.43593	11.3
58.53640	12.0
59.01382	100.0
61.98821	35.7
71.53371	17.7
73.09016	12.9
75.51981	11.4
75.76948	11.7
82.23431	14.2
93.44588	12.8
94.89405	11.5
129.98322	12.4
133.70155	12.8
178.10388	12.9
188.06793	15.1
195.74706	12.8
259.02493	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	363.1813
Annotation	Gibberellin A97
Peak:m/z	Relative Intensity
59.01377	1.8
69.47655	0.5
72.56235	0.6
90.08488	0.6
96.96006	0.6
134.18489	0.6
137.09741	1.5
149.22699	0.6
165.09215	0.8
189.03163	0.7
202.08923	0.7
229.05103	0.6
241.15956	32.6
242.16293	3.7
255.17595	3.0
257.16635	1.1
257.19122	14.4
258.19403	1.6
264.45358	0.8
275.20178	3.9
283.17099	2.9
301.18069	44.0
302.18439	5.1
319.19092	4.8
327.15894	0.8
345.17004	11.6
346.17459	1.1
360.92523	0.7
363.18109	100.0
364.18475	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	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
56.51831	1.2
58.00583	1.8
59.01379	100.0
60.01707	1.8
69.03437	3.0
69.91189	6.1
71.01382	54.1
72.99309	2.3
73.02945	84.1
74.03307	1.5
81.96057	1.1
83.01391	24.0
84.52499	1.3
85.02946	4.8
87.00883	1.5
89.02453	14.4
90.58962	1.2
95.01405	1.4
96.95984	2.2
98.20264	3.6
101.02444	63.6
101.03115	3.1
101.90047	1.3
102.02785	2.0
107.84127	1.3
113.02451	12.6
113.09724	2.0
116.05103	1.5
117.34138	1.6
119.03510	7.0
120.99642	4.9
131.03517	3.4
141.09198	11.3
143.03487	2.5
149.04517	2.8
150.52478	1.2
155.03531	2.8
159.10257	4.2
160.52449	1.2
161.04517	9.0
181.83160	1.3
303.14505	3.7
321.15549	25.1
321.87613	1.3
322.15836	1.7
363.16583	86.5
364.16910	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	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.0
57.03434	1.2
58.00594	0.7
59.01381	17.6
69.60551	1.5
69.60961	0.9
71.01382	10.6
71.05025	1.4
72.99305	1.4
73.02944	3.2
79.12678	0.4
83.01398	3.5
85.02948	5.6
86.00087	0.4
87.00867	1.0
89.02451	4.1
93.61403	0.3
95.01367	0.9
96.96007	1.3
97.06612	0.4
99.00868	1.1
101.02446	7.9
108.04556	0.5
111.00884	0.5
113.02444	3.1
119.03473	1.3
121.05350	0.5
121.10211	0.4
123.03266	0.6
127.11314	0.6
130.19119	0.4
136.07683	2.4
138.05598	4.9
150.03238	1.1
155.10779	0.9
157.12308	1.6
161.04544	0.8
165.05559	1.1
165.09186	1.2
167.03462	0.6
171.34065	0.4
183.10225	3.7
195.06529	0.7
201.11311	9.6
216.03325	0.3
227.08247	1.5
242.10631	2.5
257.12955	11.4
258.13312	0.6
265.09396	0.5
266.61249	0.4
315.45844	0.4
345.10907	1.7
345.15500	5.3
346.15936	0.5
363.16586	100.0
364.12299	0.4
364.16940	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	363.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.4
59.01380	67.0
62.90334	0.9
66.06138	0.9
70.37689	1.0
70.38031	3.5
71.01385	13.4
71.04987	0.9
73.02950	3.2
81.03478	1.3
85.02951	6.1
89.02437	4.8
97.06591	89.8
98.06934	3.2
98.20031	1.6
101.02430	6.7
113.02448	5.0
119.03451	2.5
119.04920	1.4
141.05582	100.0
142.05934	3.1
143.03502	1.1
159.02985	1.2
161.04553	13.8
162.68999	1.1
163.03975	1.7
179.05612	2.3
232.55371	1.1
257.08713	1.1
292.92520	1.1
303.10892	11.1
360.73389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03452	1.7
59.01381	42.6
61.98818	1.4
65.99842	3.4
66.20361	0.8
67.01866	0.9
69.70670	1.6
69.71059	2.3
71.01381	10.7
72.99304	1.4
73.02957	4.5
73.84908	1.0
74.99102	1.3
78.28919	0.8
82.02982	38.9
83.01377	3.5
83.05009	0.9
84.27123	0.8
85.02966	4.4
87.00873	1.3
89.02467	4.7
92.05058	0.9
94.02980	2.4
95.01337	1.0
96.95995	4.4
99.00923	1.4
101.02433	8.0
105.02222	1.0
106.02907	0.8
110.02491	1.0
113.02427	3.8
119.03488	2.3
120.00907	1.0
120.04597	1.4
120.99662	3.2
122.06092	5.1
135.56880	1.0
136.04062	27.9
136.07675	1.4
136.99130	2.0
137.04422	1.3
138.05626	0.9
141.09244	2.9
141.19920	0.8
148.04021	1.3
152.03526	1.7
158.03679	1.5
159.10252	2.3
160.07712	2.1
161.04543	3.0
164.03545	42.0
165.03926	2.1
165.05461	1.4
176.07214	2.0
177.10384	1.5
182.04581	2.2
183.10233	1.4
188.07228	0.9
194.04593	20.6
195.05399	7.2
195.37895	0.8
196.06155	23.6
201.09319	1.1
201.11272	4.7
202.08725	1.7
203.08182	1.0
204.06604	2.7
209.11832	3.5
215.06096	1.3
217.06247	1.6
228.06723	1.0
229.06146	1.5
231.07765	2.6
243.04225	0.9
243.07602	1.1
244.09798	7.1
245.09277	4.2
258.06381	2.7
259.07138	2.4
259.10831	1.4
269.09174	2.5
270.07693	5.5
271.07364	3.3
272.07837	2.4
287.10373	100.0
288.10803	9.4
291.09866	1.5
301.11740	2.0
303.11273	0.8
303.14450	6.2
313.08188	1.7
319.12851	3.6
321.15610	4.8
331.09348	47.7
332.09671	5.5
363.11478	10.2
363.16531	12.9
363.20212	1.6
363.23944	5.4
364.16919	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	363.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	55.3
61.98846	5.6
69.35577	21.3
71.01382	8.4
73.02967	3.1
80.05104	3.1
83.75212	2.3
85.02962	3.5
89.00575	2.2
89.02468	4.3
96.96004	6.0
98.20637	5.4
101.02451	4.7
106.06628	9.4
108.02171	6.4
108.08195	3.7
109.02948	4.7
122.06079	5.9
124.07668	9.6
134.06042	2.9
138.05602	6.4
140.07224	3.1
142.68073	2.4
146.06096	2.9
150.05600	7.6
152.01147	9.4
152.07187	8.9
160.11359	4.2
176.12782	2.6
188.07130	3.1
188.14427	14.8
196.06148	11.1
202.08702	8.3
203.09482	11.1
213.06488	4.2
213.13898	3.2
214.12416	3.2
217.11058	6.3
227.08255	16.8
228.09003	5.8
229.09778	4.1
229.13397	12.6
232.13434	32.5
241.09810	8.3
242.10591	13.5
247.08510	38.2
255.11461	3.1
257.12952	69.1
258.11288	7.2
261.10049	17.6
262.57248	2.7
275.14032	12.8
276.12408	100.0
277.12766	9.3
301.11935	75.0
302.12338	7.2
315.07208	3.3
319.12988	40.8
320.13333	5.8
363.11945	62.6
363.18024	11.8
364.12122	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	362.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.1
59.01378	100.0
60.01725	1.2
61.98830	2.1
71.01395	2.1
71.02205	1.3
73.02969	0.8
78.12170	0.5
82.03044	0.5
85.02963	1.1
89.02438	1.9
101.02448	1.8
107.75839	0.6
113.02461	0.7
119.03513	0.8
119.05022	2.6
120.05356	1.2
120.99606	0.7
140.07170	74.8
141.07533	2.2
153.25516	0.6
161.04581	1.4
163.03984	3.5
164.04393	0.7
175.49399	0.5
179.05501	0.6
257.12973	0.9
302.12491	3.1
362.15393	1.5
363.12463	1.1
363.16550	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	362.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88081	1.8
52.73529	1.6
58.00579	2.5
59.01378	100.0
61.98827	14.6
65.88913	1.6
67.23417	1.7
68.92642	1.7
70.67789	4.3
71.01379	52.0
72.99278	2.9
73.02939	2.6
80.70788	2.0
85.02961	13.4
87.00872	11.5
88.84341	1.5
89.02442	60.7
95.01380	5.0
101.02445	20.7
113.02444	39.6
114.69767	1.8
119.03487	24.3
122.06114	8.7
124.07668	2.8
131.03496	2.6
131.42574	1.6
140.07117	2.3
143.03484	5.4
149.04572	2.1
149.42729	1.6
152.07126	3.2
161.04564	16.8
163.04007	4.3
163.66902	1.6
164.04424	2.2
174.01666	1.9
179.05600	45.6
180.06009	2.6
194.08168	6.0
212.09132	2.4
262.34903	1.8
305.61398	1.7
311.80316	1.8
331.76852	1.8
338.78397	1.6
348.04935	1.9
363.16495	6.5
375.37613	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	361.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98830	2.4
102.08298	1.8
122.15661	1.6
178.32066	1.5
244.90485	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	361.9893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.0
60.01714	0.8
61.01810	0.3
61.98831	100.0
62.98535	0.3
69.88466	1.1
71.11554	0.3
81.75285	0.3
112.10540	0.2
159.97417	0.4
174.99231	0.6
175.99487	0.3
178.81380	0.3
178.98624	0.6
187.09579	0.3
201.02567	0.8
203.02412	0.5
203.98219	0.5
203.99995	4.9
204.02750	0.7
206.97499	0.3
217.00299	2.0
218.00655	2.8
219.00656	0.8
219.97749	54.6
220.97662	0.5
220.99799	2.4
301.98502	0.3
329.60782	0.3
361.98953	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.9
59.65676	0.7
61.98805	0.8
68.41044	0.7
86.47072	0.8
102.16226	0.9
121.05067	0.8
279.23276	100.0
280.23654	9.4
361.15054	1.0
361.23611	22.5
362.23862	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	361.1504
Annotation	1-O-beta-D-Glucopyranosyl-4-epiamplexine
Peak:m/z	Relative Intensity
55.01868	1.1
57.03434	1.6
58.00559	1.6
59.01381	36.2
60.01710	1.4
61.98816	1.5
64.01929	0.6
65.99837	0.9
68.42051	0.7
69.45750	5.5
71.01380	19.6
71.50170	0.7
72.99310	15.8
73.02925	2.6
74.68361	0.7
80.01400	0.9
83.01390	2.4
85.02958	5.7
87.00877	1.0
88.98798	2.5
89.02445	13.0
92.69917	0.6
95.01388	1.5
96.95975	0.8
98.20016	1.6
98.20673	1.2
98.22257	0.7
101.02444	10.0
111.04603	0.7
113.02451	6.6
119.03468	3.6
119.08632	2.2
120.99625	1.1
123.04546	0.9
129.01929	1.2
133.06590	1.9
135.04498	1.1
135.08128	2.2
137.09694	1.3
138.05585	2.0
139.00320	1.3
139.05920	2.1
146.02449	1.2
161.04779	6.9
162.49883	0.8
163.07646	6.0
169.00151	1.7
181.08691	11.6
181.99722	4.0
182.06114	0.7
182.08891	0.7
197.97433	1.0
197.99173	13.9
198.99957	37.2
199.09691	1.5
200.00127	1.2
200.07144	2.4
201.07841	1.0
207.08150	1.1
212.10818	2.2
225.06696	2.0
225.09087	1.0
226.07587	0.8
230.11911	7.1
230.43869	0.7
235.07466	0.7
237.09079	2.5
239.08237	4.9
240.09038	7.7
253.09021	1.5
254.10403	0.9
255.11398	16.7
256.11755	1.8
273.12439	4.1
281.08969	3.0
299.10403	10.6
300.10535	1.1
301.11108	1.1
315.08743	4.7
316.09183	0.8
317.11441	7.1
318.11786	1.1
322.25085	0.8
329.12384	3.6
343.08292	4.5
343.13620	1.5
361.05515	33.4
361.09723	14.2
361.14975	100.0
362.05429	2.2
362.10083	1.5
362.15384	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	361.1504
Annotation	[3R-(3alpha,3aalpha,4beta,5alpha,6aalpha)]-3-[(beta-D-Gulucopyranosyloxy)methyl]hexsahydro-4-(hydroxymethyl)-5-methyl-2H-cyclopenta[b]furan-2-one
Peak:m/z	Relative Intensity
57.03443	4.2
58.00575	1.6
59.01381	34.9
61.98821	3.4
69.51471	4.1
69.51881	1.8
71.01010	1.3
71.01382	20.4
72.02143	1.0
72.99299	1.2
73.02943	1.9
77.46007	0.8
83.01393	1.2
85.02946	32.7
87.00884	1.2
89.02440	12.8
95.01384	1.3
95.05024	8.0
96.95978	1.0
97.06584	1.0
98.20052	2.1
99.04518	1.5
101.02433	13.1
103.04008	56.8
108.02153	1.2
109.06534	2.6
111.08140	0.9
113.02451	7.4
113.06083	19.6
117.05577	1.4
119.03502	7.0
123.08169	2.4
125.02489	1.1
125.06039	1.6
127.07650	14.0
129.20850	0.8
135.02982	0.8
137.05119	1.2
137.06084	16.7
137.09761	1.0
138.06424	0.9
143.03415	1.0
145.05031	2.1
146.05525	0.9
155.07132	10.0
161.04620	1.1
162.07591	1.0
167.07092	2.6
179.05573	1.0
199.09795	1.1
246.72115	1.0
247.08249	2.1
265.09271	79.2
266.09631	4.6
361.15018	100.0
362.15378	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	361.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
57.03434	1.6
58.00559	1.6
59.01381	36.2
60.01710	1.4
61.98816	1.5
64.01929	0.6
65.99837	0.9
68.42051	0.7
69.45750	5.5
71.01380	19.6
71.50170	0.7
72.99310	15.8
73.02925	2.6
74.68361	0.7
80.01400	0.9
83.01390	2.4
85.02958	5.7
87.00877	1.0
88.98798	2.5
89.02445	13.0
92.69917	0.6
95.01388	1.5
96.95975	0.8
98.20016	1.6
98.20673	1.2
98.22257	0.7
101.02444	10.0
111.04603	0.7
113.02451	6.6
119.03468	3.6
119.08632	2.2
120.99625	1.1
123.04546	0.9
129.01929	1.2
133.06590	1.9
135.04498	1.1
135.08128	2.2
137.09694	1.3
138.05585	2.0
139.00320	1.3
139.05920	2.1
146.02449	1.2
161.04779	6.9
162.49883	0.8
163.07646	6.0
169.00151	1.7
181.08691	11.6
181.99722	4.0
182.06114	0.7
182.08891	0.7
197.97433	1.0
197.99173	13.9
198.99957	37.2
199.09691	1.5
200.00127	1.2
200.07144	2.4
201.07841	1.0
207.08150	1.1
212.10818	2.2
225.06696	2.0
225.09087	1.0
226.07587	0.8
230.11911	7.1
230.43869	0.7
235.07466	0.7
237.09079	2.5
239.08237	4.9
240.09038	7.7
253.09021	1.5
254.10403	0.9
255.11398	16.7
256.11755	1.8
273.12439	4.1
281.08969	3.0
299.10403	10.6
300.10535	1.1
301.11108	1.1
315.08743	4.7
316.09183	0.8
317.11441	7.1
318.11786	1.1
322.25085	0.8
329.12384	3.6
343.08292	4.5
343.13620	1.5
361.05515	33.4
361.09723	14.2
361.14975	100.0
362.05429	2.2
362.10083	1.5
362.15384	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	361.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97440	1.1
59.01377	33.2
60.99302	11.5
61.98822	3.7
71.01382	19.2
71.30145	1.5
72.99275	1.5
85.02946	4.2
87.00874	1.3
88.98802	100.0
89.02451	21.3
89.99184	1.5
95.01364	1.9
101.02432	11.3
109.06586	1.6
111.08123	6.8
113.02442	10.9
119.03490	8.7
119.05037	9.4
119.05776	1.8
122.03732	17.7
122.06136	1.6
124.05241	1.3
135.88751	1.5
137.06082	83.1
138.06441	2.3
138.32394	1.1
139.07645	4.4
143.03500	2.0
151.07605	2.3
155.07133	1.4
161.04582	2.8
163.04008	8.8
179.05573	7.6
179.10767	4.3
179.12247	1.2
181.05063	15.7
199.06097	8.2
209.11884	1.7
227.12820	2.0
230.11784	1.6
255.11414	1.5
271.11850	21.7
299.10458	1.4
317.11514	2.2
361.11072	8.8
361.15152	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	361.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16150	0.3
57.03437	0.7
59.01377	3.0
69.19608	3.2
71.01380	0.9
73.02949	1.0
79.95742	1.4
83.05027	0.4
85.02928	0.4
89.02487	0.5
89.80617	0.3
96.96011	100.0
101.02442	0.4
104.05071	0.5
111.08115	0.4
113.02464	0.5
124.05318	0.5
133.01424	0.6
133.14857	0.3
139.07666	2.4
148.04037	2.3
153.09193	0.4
171.11777	1.3
189.12842	1.1
192.02966	1.7
201.12807	0.6
205.49001	0.4
207.13937	0.8
212.10765	1.1
219.08138	0.4
219.13924	0.9
226.07422	0.7
229.14458	0.7
237.09409	0.5
237.14969	3.0
253.08681	0.5
255.11339	3.0
281.14017	1.8
289.16650	0.5
289.20297	0.4
299.10239	0.7
315.08771	0.8
317.11221	0.5
343.09189	2.4
361.09607	58.8
362.09952	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	361.0928
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
59.01370	3.3
66.63750	0.7
68.62835	0.7
69.19959	7.0
71.01336	0.9
71.38713	0.6
72.99307	15.6
87.00326	0.7
93.03448	2.1
106.88139	0.8
111.16596	0.9
119.05022	1.3
181.06558	1.5
193.06595	6.5
194.06938	0.8
197.09723	1.1
207.08122	9.8
209.06113	1.1
209.09671	1.2
209.11664	0.8
211.07674	2.9
219.08154	12.7
220.08374	2.0
223.07597	2.3
224.08359	1.1
225.09181	10.1
227.07159	1.5
227.16533	1.8
229.14374	4.2
235.07626	7.1
237.05559	2.0
237.09186	31.3
238.09509	2.8
241.08580	2.2
251.07050	1.9
252.41141	0.8
253.08696	30.6
254.08942	2.4
255.06590	1.9
255.10396	2.1
256.07394	1.4
263.07123	6.3
269.08109	5.3
270.08838	0.8
271.09570	0.9
279.06570	1.4
281.08185	20.1
282.08539	2.6
289.16547	5.1
297.07709	7.0
299.09225	6.4
300.09616	1.4
307.06064	1.9
315.08731	60.7
316.09048	5.4
325.07138	5.9
343.08197	40.1
344.08514	3.5
361.09247	100.0
362.09625	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	361.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	26.6
60.99305	15.2
61.19371	2.2
61.98830	5.7
69.57819	3.7
69.58226	11.5
71.01370	7.4
80.97593	2.3
85.02933	4.7
88.98801	100.0
88.99357	5.4
89.02437	9.3
93.39281	2.7
101.02439	2.7
105.93207	2.3
113.02415	3.1
119.05019	64.2
122.03734	5.4
123.89088	2.5
124.34740	2.9
126.31429	3.0
137.06064	26.9
139.07634	5.4
145.68188	2.1
161.04747	5.1
163.03998	95.8
164.04314	3.4
181.05006	7.2
199.06207	3.1
230.11720	3.0
255.11366	6.0
271.11826	22.8
272.12067	3.1
273.12231	2.9
299.10254	3.4
301.10651	3.1
312.67688	2.6
317.11237	3.8
325.09335	6.5
361.10941	3.8
361.15179	4.5
364.41855	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2438
Annotation	oscr#22
Peak:m/z	Relative Intensity
50.38151	0.7
53.79678	0.8
55.67567	0.6
57.03456	1.1
58.95044	0.6
59.01366	3.3
71.01385	2.4
71.52551	0.9
78.60611	0.7
83.01405	0.8
89.02430	0.8
89.89530	0.7
91.04046	1.8
107.15950	0.7
109.06612	2.5
163.11311	1.5
164.07622	0.6
168.22820	0.8
181.12476	0.9
194.22574	0.7
199.09851	1.3
207.10242	3.3
221.19080	1.2
223.20662	77.7
224.20978	6.4
225.11319	1.2
241.21645	2.0
267.19644	69.5
268.19864	6.0
279.34427	0.8
285.20703	100.0
286.20993	9.7
286.23901	0.9
312.92621	0.8
343.27295	0.7
359.24362	59.9
360.24664	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	359.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52859	0.6
58.40839	0.6
59.01380	21.6
61.98819	1.4
63.43142	0.6
71.52423	1.0
83.01387	0.7
99.37725	0.7
117.78198	0.7
253.66882	0.8
275.20029	1.0
277.21713	100.0
278.22018	10.1
359.14630	1.4
359.22034	24.2
360.22452	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0985
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
52.80221	0.4
59.01367	1.7
69.31333	0.4
69.31618	3.8
71.01371	1.8
73.02950	0.5
75.59342	0.4
85.02946	1.6
95.01403	2.2
98.20440	1.9
101.02425	0.7
109.02960	1.1
123.00887	36.5
123.04498	0.6
124.01193	0.6
135.04544	0.9
137.02403	0.9
137.06125	0.9
138.03229	46.5
139.03589	1.5
140.01178	0.6
153.05574	17.6
154.05927	0.6
155.03505	0.7
161.06075	0.5
166.99855	11.1
167.01259	0.6
182.02208	33.4
182.10318	0.4
183.02574	1.7
190.53766	0.5
196.03841	0.4
197.04547	100.0
198.04871	4.8
242.05775	0.6
269.65549	0.5
271.09781	1.4
359.06775	0.4
359.09854	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0984
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01382	4.7
60.13815	0.5
61.98825	1.4
64.83738	0.6
71.01379	2.8
71.53819	1.0
73.02946	1.1
78.74821	0.4
85.02941	1.9
88.04040	1.0
96.95985	0.9
99.00891	0.5
101.02425	1.3
107.05045	0.6
107.93594	0.5
109.02919	0.7
113.02421	1.1
115.00386	0.6
120.99664	3.7
123.00874	0.8
123.04538	1.0
132.03024	5.2
135.04520	2.0
138.03230	6.2
151.04015	8.2
152.04787	21.9
153.05569	22.5
154.05936	1.0
165.05489	1.3
166.02649	0.9
178.02707	36.5
179.03238	2.6
196.03767	86.1
197.04279	6.7
234.59302	0.6
241.05098	0.5
341.08777	3.4
359.09833	100.0
360.10168	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	359.0147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26104	0.8
56.74876	0.7
59.01379	78.8
60.01700	1.1
60.62388	0.8
64.31044	0.8
69.95191	1.7
69.95578	1.5
70.93742	0.7
78.97198	0.7
79.84762	0.8
90.97118	0.8
96.96011	2.1
97.05655	0.7
111.68995	1.0
119.36565	0.8
120.54279	0.8
132.98216	1.5
146.89468	0.7
148.77831	0.9
157.03535	2.2
174.99246	19.9
177.27698	0.9
201.02542	23.3
202.02756	2.3
217.00290	100.0
218.00595	2.3
243.08148	0.8
247.04027	0.8
247.87236	1.0
254.89729	2.6
256.87634	13.7
257.88077	2.5
271.86475	4.1
272.86401	1.0
272.90887	1.0
274.88696	13.5
275.88748	2.6
287.84872	1.1
288.84778	1.3
289.87317	3.8
298.88754	10.2
299.00714	1.0
299.88907	2.2
316.89792	22.7
317.89838	3.2
323.01849	0.8
359.01532	4.3
360.01486	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.8
57.03446	14.5
58.58175	1.1
59.01381	11.0
61.98822	1.8
69.50916	1.2
71.01386	6.6
72.99316	12.2
73.02948	1.1
75.00872	1.6
83.01402	3.9
84.02146	2.1
85.02951	100.0
86.03266	1.7
87.00890	1.5
89.02469	2.6
91.92725	1.0
98.20425	6.3
101.02372	1.3
103.00346	1.5
108.02201	2.7
109.02950	5.2
111.00877	2.2
115.00381	1.8
123.00876	2.9
123.04525	7.3
124.04816	1.2
129.01967	9.6
133.03023	1.8
135.04533	10.5
135.98479	1.1
137.02480	1.9
138.03175	1.3
147.02988	14.5
151.03998	1.5
153.05495	1.7
167.03513	5.6
173.00903	1.5
179.03514	7.5
191.01965	23.3
195.06639	1.2
197.04539	18.2
209.03027	12.4
239.29971	1.1
242.05775	3.6
271.09729	6.8
289.45740	1.2
359.05603	2.4
359.09784	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	358.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88547	0.7
57.03440	3.0
59.01374	4.0
60.40389	0.6
63.97565	0.6
65.61302	0.6
66.03487	36.5
67.03828	0.9
67.67715	0.6
69.14762	0.7
69.35282	4.4
69.35691	1.4
71.01370	3.4
73.02937	0.9
80.05058	2.0
83.01349	0.7
85.02952	8.4
89.02452	1.5
89.60693	0.8
101.02437	3.3
101.31318	0.6
103.03307	1.0
103.04012	30.6
110.02482	100.0
111.02818	2.9
113.02435	1.1
114.32257	0.6
116.19160	0.6
122.02492	2.4
124.01676	5.2
124.04046	52.1
125.04378	2.1
152.03532	50.8
153.03790	1.9
154.01463	73.6
155.01787	2.0
200.86349	0.7
212.05580	3.4
247.08195	3.6
258.60031	0.8
265.09262	8.8
358.11438	78.0
359.11728	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	357.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
83.01390	5.9
84.19563	0.4
93.03461	9.1
104.81891	0.4
105.70947	0.5
108.02164	0.9
109.02962	1.7
109.05031	0.4
121.02956	100.0
122.03309	2.3
122.03743	1.6
123.04520	2.0
127.63944	0.4
135.04570	0.8
136.01671	0.8
136.05275	0.6
137.06094	1.9
147.04457	0.9
151.03992	0.9
159.14099	0.5
160.05309	1.7
161.06039	5.2
163.04074	0.5
173.06024	0.5
183.91148	0.4
189.05571	1.7
190.06348	5.8
191.07100	1.9
215.68170	0.5
217.34402	0.5
230.40611	0.5
233.02905	0.5
239.06895	0.5
297.11444	0.9
298.12003	0.8
313.14493	1.0
327.12451	2.7
341.13934	1.6
342.14706	78.0
343.15054	8.0
357.13388	5.2
357.17090	73.2
357.21869	0.9
358.13712	0.9
358.17477	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	357.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.5
69.22810	3.6
71.01350	0.7
73.02954	0.4
83.01365	0.6
86.94184	0.4
88.40221	0.4
88.85664	0.4
108.02180	1.8
119.05006	1.8
119.87808	0.4
121.02960	2.2
123.04522	2.5
124.01650	0.8
134.03708	0.7
135.04529	8.1
136.05298	11.3
137.05682	0.4
150.03207	0.7
151.03999	2.2
151.07658	3.4
164.54074	0.4
174.83017	0.4
178.64136	0.5
195.06612	100.0
196.06976	6.0
211.37602	0.5
250.57591	0.4
357.11917	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54689	1.1
59.01380	22.5
60.66431	0.9
71.01385	4.5
71.26584	1.5
78.06089	1.1
81.85447	0.9
83.01378	4.2
85.02924	1.4
86.23933	0.9
89.02431	3.1
101.02434	2.2
108.02188	2.5
112.80063	1.0
113.02422	2.0
118.98042	1.5
119.03532	1.8
119.05029	1.8
121.02974	2.0
121.75390	1.1
122.03754	1.9
123.04527	65.1
124.04866	2.4
134.03665	1.7
135.04552	8.2
136.05313	11.1
146.75633	1.1
151.04004	2.2
151.07607	3.1
153.05580	83.5
154.05905	2.8
162.03256	7.6
177.04259	1.5
177.05571	13.1
184.28336	1.0
192.95670	1.1
195.06625	100.0
196.07027	5.1
232.54176	1.2
253.08022	1.2
292.74161	1.0
357.12772	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	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32983	0.4
59.01381	22.7
69.52795	2.7
69.53204	1.1
71.01373	5.4
73.02950	0.6
83.01392	1.4
85.02940	1.2
89.02454	4.2
92.61803	0.6
98.20670	1.0
101.02444	3.3
108.02171	1.5
113.02442	1.9
118.98095	0.7
119.03510	2.4
119.05027	1.2
121.02950	1.8
123.04523	2.3
124.01664	0.6
134.03738	0.6
135.04530	7.9
136.05307	9.9
137.05594	0.8
151.03975	2.5
151.07643	2.0
161.04610	0.7
162.03224	13.9
163.03918	1.1
177.05566	23.4
178.05942	1.4
195.06622	100.0
196.06949	5.3
292.39081	0.6
357.12155	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	14.6
61.98839	31.9
69.56450	19.5
71.01358	7.7
83.01395	21.8
85.02953	10.1
86.03269	4.5
86.96780	3.9
89.02444	6.7
101.02467	5.3
109.33385	3.9
118.14445	4.7
122.03640	5.0
123.04530	30.0
149.06155	5.2
151.03996	5.2
153.05586	48.6
189.19603	4.7
195.06572	4.6
211.03450	5.1
311.75961	4.4
357.09558	100.0
357.13434	22.2
358.09991	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	357.0978
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
52.84699	0.7
54.73701	0.7
57.29380	0.7
59.01366	2.6
65.60263	0.8
70.53645	0.9
71.01369	2.0
71.02607	1.3
74.64957	0.8
82.14578	0.7
83.01372	4.2
85.02924	0.9
87.00868	0.7
91.01879	3.5
93.03458	7.1
96.99316	6.0
106.06614	1.9
107.06948	1.4
108.02186	1.2
117.03433	2.4
119.05030	13.2
120.99030	0.6
120.99665	7.1
121.02939	0.9
122.03693	1.2
123.04517	10.3
124.03989	0.7
125.40705	0.8
130.04219	1.1
131.05003	2.5
133.02934	2.5
134.03738	15.0
135.04539	2.0
137.05994	0.7
137.09734	6.7
138.96378	0.7
142.87175	0.7
143.05014	11.7
145.02927	3.2
146.03702	5.5
147.04546	1.5
148.01550	0.8
148.05296	1.2
149.06050	1.7
149.09575	0.8
150.05630	1.1
151.05989	0.9
158.03757	3.7
159.04498	6.4
161.06053	4.1
163.03990	6.9
167.03435	1.2
173.06075	1.9
175.03990	1.0
176.08449	1.5
177.01758	0.9
178.02693	1.9
187.03899	0.9
191.10811	1.0
193.05104	3.7
193.06676	0.8
195.06583	0.8
197.11781	0.7
216.70549	0.8
226.06329	3.0
235.07599	1.7
235.09749	3.9
241.08649	2.8
250.06415	1.1
251.07108	19.1
252.07846	7.6
253.08687	6.1
254.09428	3.4
265.08664	1.4
267.10223	1.6
279.06677	4.5
280.07361	12.6
281.07809	1.2
295.09741	10.7
313.10788	1.7
324.06378	2.7
339.08820	4.9
357.09753	100.0
358.10156	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	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
71.52194	0.5
83.01406	1.1
121.02972	0.6
221.15532	0.5
293.17523	0.4
357.13452	2.1
379.86298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0616
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
56.67646	0.3
59.01372	0.8
61.98825	0.4
69.07735	0.3
70.38544	1.1
71.01412	0.5
81.30309	0.2
83.01387	7.8
83.59716	0.3
93.03474	0.6
102.32568	0.3
108.02224	0.3
121.02963	100.0
122.03311	3.2
122.03900	0.6
123.04525	1.0
129.21338	0.3
136.01703	0.8
136.05324	0.5
136.07690	0.6
137.02429	0.4
137.06096	1.2
147.04578	0.6
147.30455	0.3
150.01805	0.3
151.04013	1.0
165.01952	0.8
180.05801	2.1
181.06593	7.3
182.06937	0.7
199.07613	0.4
209.08139	0.3
221.08170	0.7
225.05579	5.1
226.05942	0.4
259.29861	0.3
264.08813	0.4
271.07306	1.1
285.20837	0.8
313.07175	9.0
313.14542	0.5
314.07401	1.0
322.32236	0.4
325.11987	0.3
342.11041	0.6
357.06192	38.4
357.13071	9.6
357.26544	0.9
358.06500	3.7
358.13712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0985
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
57.03429	0.3
59.01389	2.9
61.98831	0.6
67.49529	0.3
70.22182	1.0
70.22529	0.3
71.01391	1.3
73.02941	0.5
83.01381	1.2
83.05038	0.7
85.02949	1.3
101.02412	0.5
104.05016	0.4
106.06623	100.0
107.06961	4.2
108.08195	6.5
113.02466	1.6
118.06609	0.5
120.08195	0.8
120.99667	0.4
130.06569	0.7
131.03780	1.8
134.06110	0.4
136.07695	0.5
146.06152	0.4
150.05598	55.0
151.04015	1.0
151.05963	2.2
152.04341	0.9
157.08667	0.7
162.05486	0.5
164.07175	10.1
174.05554	1.0
176.58090	0.3
192.06645	6.8
194.04573	30.7
195.04904	1.3
195.10223	0.4
236.05624	5.2
266.06644	0.5
296.07733	3.7
297.08191	0.6
303.31110	0.3
315.14627	0.4
356.09848	11.7
356.20789	0.8
357.09778	0.6
357.13632	0.7
357.19693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
61.98826	8.5
78.53521	1.9
83.48103	2.1
85.02952	4.7
93.13323	2.0
96.66991	1.9
98.20393	16.8
109.02966	3.3
115.65885	2.1
122.03747	9.8
135.04514	25.8
147.08136	2.7
149.09732	7.4
151.07614	2.8
154.02777	2.5
161.09695	12.3
163.07675	4.5
163.11295	54.8
164.08427	18.7
164.11755	2.7
165.09203	7.5
177.09207	72.5
178.09993	16.4
179.10779	75.9
180.11136	4.3
191.10806	11.1
193.08752	9.5
209.03130	2.4
280.14691	3.2
298.15714	52.8
299.16022	6.4
307.17166	3.2
309.22073	2.7
337.21732	61.3
338.22095	8.9
340.20407	99.9
341.20865	10.7
354.69742	2.5
355.22803	100.0
356.23083	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	355.1184
Annotation	Spiraformin A
Peak:m/z	Relative Intensity
59.01365	2.2
61.98825	0.9
69.37711	3.4
73.02957	0.4
91.32505	0.4
93.03434	0.5
98.20409	1.9
108.02184	0.7
121.02952	2.4
126.08523	0.4
159.04507	0.5
161.05917	0.5
183.04349	0.7
191.01987	0.7
191.04996	0.5
193.05014	1.1
193.06598	2.2
194.07181	0.7
195.04469	1.0
197.06190	0.5
199.07704	0.4
207.04552	0.9
209.02974	1.3
209.06076	5.0
210.06770	1.6
213.05382	0.5
215.97757	0.6
217.04990	0.6
218.05800	1.0
219.04482	2.1
220.05251	1.5
221.06076	4.9
222.06778	1.2
223.03984	1.8
224.04724	1.5
225.05374	0.8
225.09128	0.8
227.07100	0.5
235.04007	1.2
236.04840	2.4
237.05553	13.8
238.06287	6.1
247.04033	1.3
248.04706	1.3
249.05482	2.5
251.03464	2.4
251.07117	1.3
253.08696	2.2
264.04156	1.3
265.05026	18.7
266.05692	6.0
267.06152	0.6
269.08160	3.3
275.03268	0.7
276.04077	0.7
277.04947	0.8
279.06647	4.2
280.07312	3.6
281.08224	3.2
282.05283	1.0
282.08405	0.6
283.06012	0.6
293.04642	3.4
295.06149	3.2
296.06824	1.9
296.10181	0.6
297.07645	26.7
298.08020	2.6
307.06125	3.2
308.06900	5.8
309.07526	2.5
311.09164	0.5
323.09195	16.1
324.06284	1.7
324.09723	2.9
325.07147	95.3
326.07504	9.6
339.08725	2.3
340.09494	54.9
341.09766	4.7
355.11847	100.0
356.12241	13.2
357.10495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
59.01365	0.9
64.38811	0.6
67.02562	0.6
69.48927	4.2
70.37928	0.5
85.02934	0.9
90.34724	0.5
103.12978	0.6
121.02943	1.2
133.02904	0.9
134.03740	56.0
135.04094	2.9
137.02434	6.7
139.03983	1.8
139.12674	0.6
149.06081	16.8
150.03233	0.7
150.06422	0.7
159.32590	0.7
178.02704	32.0
179.03087	1.6
187.16624	0.6
191.03445	0.7
193.05045	100.0
194.05376	4.8
355.10178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1033
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
55.01885	0.6
57.03434	3.0
59.01371	2.8
61.98826	1.4
69.76653	3.6
71.01361	3.3
72.99300	0.9
83.01336	0.7
84.02150	0.6
85.02947	20.7
87.00868	0.9
89.02444	1.0
93.03459	0.8
98.19926	0.9
101.02431	1.0
106.04211	0.7
107.05051	0.8
111.00873	1.0
119.05006	1.3
120.01237	0.9
121.02959	1.2
127.63754	0.6
129.01944	1.8
133.02991	1.1
134.03735	78.7
135.04082	3.2
137.02432	5.1
139.04010	1.7
147.03000	2.6
149.06075	22.5
150.03171	0.7
150.06422	0.7
151.04039	0.7
159.02968	0.7
178.02696	23.5
179.03040	1.5
187.56627	0.8
191.01956	7.2
191.05495	0.8
193.05032	100.0
194.05359	6.4
209.02991	15.5
209.06668	0.6
239.06914	0.7
267.06537	0.9
355.10385	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	355.1034
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
59.01381	0.9
69.69904	2.1
71.01375	0.5
73.02964	0.6
85.02945	1.6
101.28522	0.5
107.05042	0.8
121.02915	0.9
133.02948	1.5
134.03738	57.5
135.04031	3.0
137.02440	7.7
139.03993	1.6
141.33763	0.4
144.82497	0.5
149.06081	16.9
150.03242	1.2
151.03983	0.9
161.16199	0.5
163.04042	0.6
168.83725	0.5
171.84610	0.5
178.02705	31.7
179.03044	1.4
191.01906	0.5
191.05649	0.8
193.05038	100.0
194.05397	6.5
206.05830	0.6
209.03041	1.4
221.08273	0.5
355.10501	1.7
370.73169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39571	0.8
55.01878	1.7
57.03450	11.4
59.01382	8.1
59.29531	0.7
61.82770	0.7
69.38179	6.1
71.01386	10.0
72.99306	2.0
73.02951	1.1
75.00870	2.5
83.01379	3.8
84.02168	2.5
85.02952	100.0
86.03317	2.0
87.00863	2.0
89.02441	3.6
101.02454	0.9
103.00373	1.4
108.04569	1.1
111.00900	5.8
115.00352	1.0
118.98086	0.8
119.05023	2.7
129.01961	7.6
133.01428	3.4
134.03743	22.8
137.02461	1.8
138.26227	0.9
147.03017	8.7
148.90582	1.0
149.06094	7.0
150.03192	1.0
161.33635	0.8
163.03952	1.5
173.00845	2.4
178.02716	10.0
191.01976	37.0
193.05038	31.9
209.03035	84.7
210.03339	3.7
241.75424	1.1
340.00635	0.8
355.06522	1.3
370.36392	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
57.03450	10.8
59.01159	0.6
59.01381	7.4
59.62828	0.7
61.13613	0.7
65.54250	0.6
67.34289	0.6
70.64065	1.4
70.64436	1.4
71.01381	6.1
72.99314	1.1
73.02943	0.8
75.00859	2.2
83.01388	2.1
84.02154	2.2
85.02948	100.0
86.03275	2.1
86.17339	0.7
86.52332	0.8
87.00866	1.0
89.02452	1.6
99.99906	0.6
101.02447	0.7
103.00374	1.9
111.00873	4.0
119.05015	2.4
129.01947	8.0
133.01434	2.0
147.02983	11.1
163.03995	2.1
173.00893	2.0
179.04079	0.7
191.00238	1.5
191.01982	28.6
209.03015	42.1
210.03395	1.0
260.51743	0.6
292.71698	0.7
355.06851	1.4
359.86810	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2121
Annotation	Guayulin B
Peak:m/z	Relative Intensity
50.31730	0.3
55.00275	0.3
57.75684	0.3
66.91615	0.3
70.37589	0.7
70.60825	0.2
79.95731	0.6
79.97482	0.3
96.96009	4.9
98.20568	0.3
113.79327	0.3
124.79132	0.2
127.79804	0.3
161.06108	0.3
163.11287	85.5
164.11613	4.5
168.59987	0.3
177.09209	69.4
178.09544	4.3
190.09967	0.4
195.16171	0.3
197.29089	0.3
198.80524	0.3
200.66295	0.3
220.92085	0.3
222.08939	0.7
327.30457	0.3
353.21182	100.0
354.21506	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	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.2
58.36135	0.2
59.01376	1.2
61.98820	0.6
67.01877	0.4
70.71375	0.4
70.71687	0.4
71.01379	0.6
83.05022	0.5
84.94125	0.3
85.02948	8.4
87.00866	1.7
93.03461	2.9
99.04569	0.2
101.02432	0.3
103.04044	0.2
109.02961	0.7
111.04520	1.2
111.60017	0.3
127.04025	1.6
133.02965	0.4
135.04532	2.8
137.02455	0.4
147.38768	0.3
150.17159	0.3
161.02412	1.7
171.02998	0.7
173.04547	3.2
179.03494	2.3
191.05606	100.0
192.05942	3.9
233.62132	0.3
353.08865	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	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01366	1.3
61.98811	0.4
63.98870	0.2
67.01883	0.3
70.25741	0.6
71.01381	1.0
73.33662	0.2
84.91752	0.2
85.02950	8.3
87.00872	1.5
93.03448	3.2
95.01402	0.3
99.04494	0.4
109.02944	0.8
110.24548	0.3
111.04512	0.9
127.03994	1.9
133.02986	0.7
133.72900	0.3
135.04538	2.0
155.03511	0.3
161.02449	2.0
161.63597	0.3
165.84421	0.3
171.03024	0.3
173.04515	3.3
179.03505	2.1
191.05600	100.0
192.05927	3.6
250.79417	0.2
353.08783	1.8
354.09003	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31284	0.9
57.58483	0.7
59.01379	100.0
60.01728	1.3
61.98800	0.8
71.01395	4.1
73.02963	1.0
82.03008	0.8
85.02960	1.5
89.02454	1.1
96.96022	2.1
101.02470	3.0
103.41953	0.7
113.02464	1.7
120.99674	2.3
129.01921	0.9
145.04196	0.7
152.03500	0.7
161.04575	1.4
202.24646	0.7
205.07153	0.9
351.11221	1.7
351.20383	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	351.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16018	1.0
57.03446	100.0
59.01377	76.3
61.63838	1.1
69.83358	5.4
69.83761	1.9
71.01374	10.6
73.02948	5.2
77.56752	1.1
83.01376	3.1
85.02940	6.2
99.00903	1.3
99.04517	70.2
99.33337	1.2
100.04855	1.2
101.02440	29.7
103.04008	5.4
113.02472	5.5
125.02440	18.8
134.30089	1.1
154.02188	1.2
159.02991	1.5
161.04517	5.1
192.30327	1.3
207.08722	42.0
208.09067	1.2
221.35133	1.2
249.09625	3.4
274.03769	1.2
289.12851	2.1
351.12833	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	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01851	0.6
53.16423	0.6
57.03454	6.0
59.01381	14.2
61.98843	1.3
69.36501	5.6
71.01381	11.5
71.05012	0.8
73.02946	28.1
75.00864	1.2
85.02948	22.3
87.00883	1.5
87.04517	26.9
89.02431	1.9
97.02934	4.1
98.20578	1.8
99.00896	0.7
99.04527	3.8
101.02462	3.5
103.04014	100.0
104.04352	1.9
113.02449	3.9
115.04005	15.8
117.05576	2.9
119.03440	1.2
127.03973	1.6
133.02957	1.0
133.65405	0.6
145.05052	11.1
157.05061	0.9
161.04596	0.8
170.04572	0.9
192.44901	0.6
193.51424	0.6
204.87508	0.7
205.07088	0.8
247.08202	8.2
265.09283	6.7
321.11877	9.3
333.11975	3.8
351.12949	82.8
352.13318	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	350.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81533	0.2
57.03451	2.6
59.01381	4.4
69.53658	1.8
70.68306	0.3
71.01379	1.2
73.02937	0.9
76.42862	0.3
85.02950	1.0
87.04530	0.7
87.76469	0.2
89.02448	0.4
99.04528	2.1
101.02455	1.3
103.03998	2.1
110.95615	0.3
112.35203	0.3
113.02465	0.6
115.03999	0.4
125.02427	0.3
144.04549	100.0
145.04913	4.9
161.04570	0.7
180.70198	0.2
207.08743	1.1
212.17827	0.3
228.06624	0.3
291.10715	0.4
306.09845	1.4
351.12823	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	349.2382
Annotation	Methyl sciadopate
Peak:m/z	Relative Intensity
50.97034	1.0
52.91989	0.8
57.03440	1.9
58.00579	2.4
59.01377	13.8
69.03458	1.4
71.01011	1.6
71.01382	26.3
72.99297	3.1
73.02942	10.6
75.00872	100.0
84.02168	0.8
85.02932	1.0
87.00864	1.5
89.02441	3.7
96.96016	1.4
97.06609	1.1
97.97750	0.8
111.08112	1.2
124.01517	0.8
125.06043	1.2
139.07637	0.9
146.69057	1.0
167.14360	1.0
205.19479	1.3
228.95918	1.0
257.22690	2.3
261.22333	1.5
273.22281	4.8
275.23798	1.7
277.21719	23.1
278.21994	2.8
287.23773	4.6
289.21805	4.4
291.23285	7.3
301.21582	2.6
303.23297	10.2
319.22769	64.1
320.23141	6.1
331.22769	19.5
332.23056	2.6
345.91751	1.1
349.19666	1.4
349.23868	26.0
350.24127	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10009	0.4
57.03444	1.0
59.01365	1.7
61.98813	1.2
69.03468	2.0
69.54269	1.2
69.54700	1.6
78.66764	0.4
85.06593	3.2
96.95982	0.5
123.08175	2.1
129.44525	0.3
132.46939	0.3
135.08179	3.2
154.55771	0.5
163.11351	0.6
193.12331	0.6
196.68839	0.4
199.72575	0.4
255.48268	0.4
257.19058	1.6
258.19556	0.4
265.15967	6.5
266.16315	0.8
267.17526	12.8
268.17770	1.9
271.17068	1.1
277.16049	0.6
279.14798	0.5
279.17487	2.7
281.15939	0.7
281.19086	20.9
282.19385	2.5
283.20654	66.1
284.21008	7.4
285.18524	0.9
287.20062	2.1
288.20407	0.5
289.21716	1.0
297.18604	1.5
299.20160	9.7
300.20413	0.7
301.18179	0.9
301.21756	4.2
311.79230	0.4
313.18149	0.7
315.19614	1.2
317.17911	0.5
317.21252	3.9
319.22742	10.5
320.23080	1.1
331.22861	0.9
349.23810	100.0
350.24124	12.7
350.28430	0.6
363.21832	5.0
364.22137	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
52.18050	1.0
55.01857	2.8
57.03450	5.6
57.71689	0.9
58.00587	3.8
59.01381	100.0
60.01711	1.2
61.98832	2.3
67.54744	1.0
70.22817	3.7
71.01382	69.4
72.99290	4.1
73.02966	6.8
75.00809	1.1
83.01383	5.5
85.02463	1.8
85.02951	26.5
87.00867	3.2
87.04514	1.6
87.43960	1.0
89.02444	62.2
95.01397	5.5
96.95977	3.4
98.20695	1.1
99.00868	3.9
101.02444	41.8
102.36406	1.1
113.02451	26.3
115.07662	1.1
119.02678	1.5
119.03502	27.6
120.03875	1.1
120.99668	1.8
122.06102	1.3
129.01895	1.7
131.03462	1.6
133.06967	1.1
134.03725	2.2
134.82045	1.0
136.07666	3.2
141.09201	1.7
143.03453	3.9
159.02954	1.8
161.04568	19.8
179.05630	5.5
187.13387	9.5
191.01994	1.4
193.05016	3.1
201.11226	1.8
331.09521	1.1
349.09680	2.4
349.14294	8.7
349.18610	41.5
350.10425	1.2
350.19226	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	349.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58247	0.3
55.01873	0.4
57.03442	0.4
59.01378	100.0
60.01722	1.5
61.98829	0.4
64.44215	0.4
69.78635	0.8
69.79040	1.3
70.46813	0.4
71.01382	5.2
72.99288	0.4
73.02949	2.7
74.02483	1.1
75.00867	0.5
82.59116	0.4
83.01392	1.0
85.02945	3.2
89.02460	1.7
95.01399	0.4
95.05078	0.5
96.92968	0.4
96.96022	1.4
98.20633	0.7
99.00909	0.4
101.02435	5.1
113.02456	3.2
119.03542	0.7
125.06104	0.4
136.97157	0.4
159.03030	0.5
161.04553	2.4
163.07675	0.4
166.05058	0.4
181.71111	0.4
201.12895	1.6
203.00429	0.4
206.99536	0.4
219.13974	1.2
245.11935	0.8
288.16196	0.6
289.16672	0.5
307.17587	7.5
308.18173	0.8
320.15128	2.0
349.13635	2.2
349.18713	0.6
350.16074	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	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.9
57.03445	0.8
59.01379	100.0
60.01713	1.3
70.38013	0.5
70.94385	0.8
71.01385	7.4
72.99342	0.6
73.02946	2.6
75.00845	0.5
83.01403	1.3
85.02945	3.9
87.00867	0.5
89.02456	2.5
96.96003	2.0
99.00891	1.3
101.02441	6.8
111.00906	0.4
113.02457	3.5
119.03524	1.4
120.99695	0.5
125.09734	0.4
145.12415	0.5
159.03008	0.6
160.39790	0.4
161.04538	3.9
219.10703	0.4
307.17651	9.2
307.21030	0.6
308.17908	1.2
349.12906	2.0
349.19022	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01719	0.7
61.98833	0.7
69.55882	3.4
71.01392	2.2
73.02961	1.1
77.81694	0.5
85.02959	0.8
89.02459	0.6
96.96054	1.8
98.20120	1.7
100.93098	0.5
101.02420	1.0
130.18898	0.6
131.36685	0.6
135.60512	0.5
161.04536	0.9
184.61563	0.5
185.52280	0.5
349.13629	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.7
58.00597	0.6
59.01382	15.4
60.45910	0.5
61.98838	0.8
69.49211	4.1
71.01389	8.0
72.95512	0.5
72.99326	0.9
73.02939	1.2
81.27617	0.6
83.01418	0.9
85.02460	1.0
85.02955	17.1
87.00882	1.2
88.19102	0.5
89.02442	1.9
96.96010	1.6
97.06583	1.0
98.20262	2.5
99.04520	0.9
101.02464	3.4
101.06083	51.4
102.06390	1.3
103.04015	26.1
113.02445	1.5
115.07655	46.6
116.07917	1.2
117.05618	0.8
120.55554	0.5
134.41336	0.6
143.07143	7.9
145.05069	1.4
169.08708	0.5
187.06108	3.0
244.55539	0.6
244.65704	0.6
247.08627	0.6
254.83992	0.5
342.61990	0.6
349.15030	100.0
350.15442	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	349.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84705	0.3
57.03454	0.6
59.01379	36.9
60.01716	0.4
61.98837	0.5
69.92518	0.3
70.00686	0.4
70.14088	0.4
71.01382	1.0
71.54530	0.5
75.66970	0.5
79.95753	1.3
80.96494	0.5
83.05025	1.1
86.72588	0.4
87.13651	0.4
96.96009	100.0
102.88245	0.4
111.78874	0.3
154.66769	0.4
176.14566	0.4
207.06947	4.4
209.15471	1.6
251.16454	0.4
269.17575	13.3
270.18008	1.1
279.41119	0.4
287.13229	7.2
287.16367	0.8
288.13394	0.6
289.11142	8.7
290.11649	0.5
349.13232	95.8
350.13599	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	349.1138
Annotation	Prodiamine
Peak:m/z	Relative Intensity
55.01881	0.9
56.86334	0.7
57.46851	0.7
58.00586	1.4
59.01379	40.3
61.98831	4.1
71.01380	20.9
71.01775	1.0
71.51412	1.2
72.99313	1.9
73.02943	1.6
77.55761	0.7
78.95910	1.7
83.01377	1.4
83.05034	0.8
85.02951	5.5
87.00874	0.9
89.02444	17.5
95.01386	1.3
96.96963	3.6
97.06588	4.3
101.02444	11.7
107.04994	1.2
113.02455	7.1
119.03491	7.5
120.10743	0.7
125.06089	15.0
127.04050	0.7
137.08487	0.8
141.05595	2.1
143.07193	2.2
144.04549	71.2
153.57388	0.6
169.05058	6.8
187.06165	1.7
189.05597	1.8
225.56567	0.7
305.12485	1.5
306.09888	1.0
321.11920	4.4
349.11380	100.0
350.11682	7.8
372.12115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1862
Annotation	Neocaesalpin H
Peak:m/z	Relative Intensity
55.39984	0.4
71.02238	0.8
72.98764	0.4
77.66217	0.4
132.66611	0.4
149.09705	0.4
175.93709	0.5
183.86180	0.4
218.08354	0.5
241.15967	10.6
242.16362	0.6
257.19089	9.5
258.19452	1.0
259.20642	1.8
298.86209	0.4
301.18051	1.9
303.19626	35.1
304.19952	3.6
347.18613	100.0
348.18954	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	348.986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66031	0.2
59.01373	0.3
61.98828	100.0
62.98518	0.3
69.93910	1.2
81.63708	0.3
100.16948	0.3
161.41026	0.3
162.98471	2.3
195.91467	0.3
203.99971	0.6
205.00037	0.5
205.99698	0.8
206.97435	80.4
207.97536	5.4
348.98605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01706	0.5
70.72549	1.1
71.01382	4.1
73.02960	1.1
83.01403	0.9
83.05030	1.0
85.02956	1.5
87.00896	0.5
88.81087	0.4
89.02446	2.5
90.31192	0.5
96.42437	0.4
96.96018	4.7
101.02436	3.7
110.02515	0.6
113.02446	2.2
119.03500	0.8
119.79981	0.4
119.93430	0.5
120.08161	2.3
132.04588	0.5
136.04085	1.0
136.99197	0.4
137.04842	1.1
138.05621	1.3
138.87206	0.4
144.51849	0.5
145.05096	0.8
161.04568	1.2
165.04367	1.0
167.10808	0.7
169.12331	7.6
182.09760	2.7
185.53459	0.5
197.11853	4.1
198.12950	3.7
223.08736	0.5
241.10774	0.7
242.11856	10.8
243.12149	1.1
252.08844	0.8
267.11377	4.2
274.10925	0.9
285.12540	1.5
286.10638	0.5
303.12772	1.5
305.16077	2.4
311.10504	0.9
315.14502	6.4
317.11783	0.8
329.11557	2.2
347.11624	5.3
347.17169	4.3
348.11960	0.6
364.85690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1249
Annotation	Achillamide
Peak:m/z	Relative Intensity
59.01358	3.1
61.98821	1.0
62.18236	0.7
70.25515	0.8
71.01360	0.8
71.54460	1.1
83.01385	1.0
85.02943	1.1
96.96037	4.9
98.49088	0.7
108.04531	2.4
118.32518	0.7
121.04447	1.0
121.05329	18.5
125.02441	2.1
134.06131	4.4
136.07680	39.4
137.07999	1.7
138.05609	1.2
139.38718	0.7
140.07159	2.4
149.06076	0.9
153.04352	1.1
161.04640	0.8
162.05611	4.6
164.07147	6.7
180.06656	18.6
181.06996	0.9
183.54991	0.6
186.09256	3.5
190.05121	1.6
196.66689	0.7
200.10788	1.7
201.11697	1.8
208.06200	1.0
214.12437	3.7
216.13930	17.4
217.14386	1.1
227.08226	1.2
228.08960	1.3
232.09720	1.6
232.13367	2.1
241.09807	0.9
241.13338	0.9
242.11964	0.9
255.07703	4.6
256.08508	1.4
257.12979	5.5
259.13785	1.2
260.12836	5.3
267.11484	1.2
269.09244	2.2
270.10040	3.1
283.10837	3.3
285.12430	27.9
286.10803	2.6
301.12097	0.9
303.13281	3.1
304.11990	6.9
311.10385	8.8
329.11404	28.2
330.11707	3.6
347.12418	100.0
347.24194	6.2
348.12766	9.0
362.22372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.9
59.01382	17.1
60.99299	3.5
63.96237	28.7
70.02317	4.2
70.02943	1.1
70.26064	1.1
71.01377	5.7
71.05038	1.0
72.99304	26.2
73.02959	2.5
73.98318	9.0
74.02444	1.0
74.99096	51.3
79.95741	1.8
82.71573	1.1
85.02946	10.3
87.00900	1.3
88.98804	33.0
89.02428	2.8
96.96021	7.9
99.04509	2.2
101.02444	5.2
103.04033	1.7
115.75290	1.2
117.97296	18.7
120.99620	3.8
129.01935	2.2
134.03728	9.7
135.04536	1.3
135.98355	100.0
136.99252	1.9
137.02431	2.2
141.05550	1.3
143.07169	1.4
149.06053	3.7
155.08247	2.5
161.04596	1.0
178.02666	10.1
179.03160	1.1
184.06219	1.1
193.05066	21.4
194.05394	1.4
199.07297	1.5
233.05948	3.0
242.11874	2.2
257.13907	1.9
259.09906	1.6
278.10632	1.3
285.11859	1.3
303.13248	1.1
347.04410	2.6
347.07910	2.8
347.11798	19.6
347.17084	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	347.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.5
61.50764	0.4
71.01369	2.2
71.53484	0.4
72.99305	0.4
73.02952	1.2
78.68223	0.4
79.93964	1.4
82.14063	0.4
82.49860	0.4
83.01393	0.5
84.66579	0.3
85.02961	1.4
87.00831	0.5
88.98787	0.5
89.02447	1.1
93.03446	0.5
95.57359	0.3
96.96006	3.7
97.06580	0.5
98.20400	0.4
99.04515	1.9
101.02459	1.4
101.52834	0.4
103.04045	0.7
109.02947	2.0
109.80247	0.4
111.00874	1.3
112.64563	0.3
113.02395	0.6
120.01281	0.3
120.99507	0.5
121.02959	1.4
122.06081	0.4
123.04508	0.6
123.16544	0.3
125.33134	0.3
127.65853	0.4
128.03546	2.8
130.08739	0.8
131.71214	0.3
133.02968	1.3
134.03743	46.6
135.04280	1.2
135.98299	0.6
137.02454	8.7
139.04041	2.8
147.83440	0.5
149.06081	16.8
150.03200	0.8
150.06413	0.6
152.98677	0.7
154.82329	0.4
163.03885	0.4
171.07744	1.0
177.05513	2.2
178.02711	37.8
179.03079	2.3
193.05052	100.0
194.05388	5.7
219.06656	0.5
221.04576	5.0
222.04787	0.4
249.05434	1.0
287.14957	0.4
311.07666	6.9
312.08047	0.4
347.04398	10.6
347.07962	0.7
347.13031	1.8
347.17010	3.4
348.04590	0.5
348.09280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.4
61.98819	1.9
64.24276	0.6
64.93864	0.7
71.01384	8.8
71.52769	0.9
73.02953	1.0
75.58340	0.6
84.00923	0.7
85.02949	2.6
89.02425	1.5
95.05041	4.1
101.02449	1.8
110.02489	1.0
112.04047	35.1
113.02467	2.0
113.04359	0.9
120.99655	3.6
122.06126	1.1
123.03286	1.2
123.04499	1.2
124.04047	10.2
124.04896	1.3
126.05608	4.3
134.03714	2.4
135.04521	1.5
137.02434	0.9
138.05611	1.5
138.09224	0.9
140.07181	3.9
141.05586	0.9
143.05009	0.6
149.06123	1.9
154.05096	6.9
161.04547	0.8
164.07082	0.6
166.05086	100.0
167.05489	4.1
177.05598	1.9
178.02716	2.3
182.08211	30.7
183.08525	1.4
184.06108	9.3
189.05542	5.3
193.05086	5.4
226.07256	8.8
267.09848	1.0
274.55652	0.6
284.12683	0.7
311.07773	2.3
328.10361	5.3
346.11456	32.1
347.11923	2.2
347.17233	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2433
Annotation	7beta-Methoxydeoxocryptojaponol
Peak:m/z	Relative Intensity
61.98825	0.6
65.07015	0.2
69.26567	2.0
96.38757	0.3
98.20432	1.2
140.12009	0.3
151.03938	0.3
243.17584	0.5
249.92221	0.3
253.76622	0.2
299.23819	1.7
301.25320	0.3
345.24313	100.0
346.24646	11.9
357.93213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78963	0.3
54.50055	0.3
59.01376	5.9
60.01705	0.5
61.01815	0.6
61.98829	100.0
67.62845	0.3
69.75157	0.9
69.75557	0.9
82.33049	0.3
169.47304	0.4
201.02577	0.9
202.02701	2.7
203.02235	3.0
203.99982	52.7
205.00136	4.1
291.25107	0.3
346.01083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2433
Annotation	7beta-Methoxydeoxocryptojaponol
Peak:m/z	Relative Intensity
54.97571	0.3
59.01382	0.8
61.98826	0.9
65.30928	0.3
111.87513	0.4
236.31265	0.4
243.17563	0.8
249.91286	0.4
345.24316	100.0
346.24643	11.0
348.16812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34281	0.6
59.01385	6.5
69.20931	7.1
71.01375	4.3
79.95744	0.7
84.04549	0.9
85.02964	1.3
85.97533	0.7
89.02445	3.4
94.02982	1.2
95.03769	2.6
95.05041	0.7
96.08193	0.9
96.96017	6.1
101.02442	1.7
104.05051	1.6
106.06642	7.9
111.95475	0.8
113.02460	1.4
119.03484	1.0
122.06100	3.2
123.03261	0.9
124.07690	10.6
132.04552	45.2
133.05348	27.2
134.06146	8.6
138.05576	1.0
148.04037	2.7
150.05559	2.1
165.04301	29.7
165.05692	1.7
166.04643	1.1
176.03491	1.0
176.07156	1.2
177.04309	5.4
178.05028	1.7
185.08472	1.1
186.09276	6.4
187.08754	1.1
190.19711	0.9
198.09282	1.7
209.03291	7.9
213.06688	4.1
214.12375	7.0
215.11842	9.8
216.12375	0.7
226.07478	2.1
229.09802	4.4
241.09825	5.0
255.11349	1.0
257.12933	35.5
258.13165	2.8
283.10800	9.1
284.11121	0.8
285.08667	0.9
286.63928	0.8
301.11911	26.2
302.12247	2.5
327.09885	2.4
345.10886	100.0
346.11102	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	345.109
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
53.23713	0.7
56.66937	0.8
80.89121	0.7
84.04573	1.0
87.72334	0.7
94.02995	0.8
95.03788	1.8
96.08211	0.8
96.96004	2.2
97.01725	0.7
102.47856	0.7
104.05070	0.9
106.06626	4.0
108.98851	0.7
122.06140	2.0
124.07683	7.6
132.03554	1.7
132.04552	33.5
133.05345	21.4
134.06158	5.4
148.04057	1.5
165.04306	17.5
166.04726	1.6
176.03592	0.9
177.04320	4.4
178.05043	2.1
184.07642	1.6
186.09224	3.5
209.03311	3.8
213.06653	2.5
214.12418	7.0
215.11850	6.2
216.12042	0.7
226.07539	1.1
229.09705	3.4
240.10286	0.8
241.09743	3.6
257.12930	22.4
258.13339	1.9
277.05380	0.8
281.49530	0.8
283.10898	7.1
284.11298	0.9
289.57819	0.9
301.11942	15.8
302.12274	1.5
327.09961	1.1
345.10883	100.0
346.11212	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	343.2276
Annotation	17-keto-7(Z),10(Z),13(Z),15(E),19(Z)-Docosapentaenoic Acid
Peak:m/z	Relative Intensity
59.01376	0.3
61.98826	0.3
74.10792	0.2
99.06432	0.2
189.76834	0.2
243.17523	1.0
269.18884	0.3
297.22235	0.6
299.23795	2.5
300.24164	0.4
310.67264	0.2
337.47916	0.2
343.22760	100.0
344.23096	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	344.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85175	0.6
59.01374	1.7
61.98828	100.0
69.17394	4.3
69.17812	1.0
72.99306	3.3
96.96009	2.8
104.43048	0.5
120.99616	0.8
135.04521	3.0
137.09772	0.7
138.05626	2.0
146.09955	0.5
164.03525	1.2
179.03497	2.2
182.04611	2.8
183.10345	0.9
209.09749	1.2
221.09715	3.2
223.44853	0.5
237.09233	1.1
237.11511	0.6
244.03326	0.6
253.14447	0.8
265.08838	0.9
309.07706	0.7
327.08783	3.3
344.13101	0.5
345.09958	6.9
345.15570	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1033
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.01375	13.3
69.23986	4.1
71.01376	0.9
85.02949	1.3
89.02450	0.8
95.04983	0.8
108.02203	0.4
109.02949	6.9
109.06624	2.7
119.05032	4.9
121.02946	7.1
122.03771	1.2
124.01672	1.4
135.04524	5.8
137.06082	29.0
138.06395	1.2
139.04002	3.7
166.02705	1.2
175.41840	0.5
181.05058	100.0
182.05363	4.1
191.61923	0.5
216.16512	0.5
226.06319	0.5
227.07162	0.8
255.10089	2.4
300.15598	0.5
315.50092	0.6
343.10272	14.7
344.10535	1.0
345.45099	0.5
348.07275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0821
Annotation	Araneol
Peak:m/z	Relative Intensity
51.83795	0.6
57.11946	0.6
59.01381	3.7
61.98808	1.4
69.24289	5.2
71.01369	0.7
96.95978	0.8
97.06569	0.6
101.02411	0.8
110.79116	0.5
117.78746	0.5
121.02962	1.3
125.33522	0.5
128.79391	0.5
137.02480	0.9
198.03200	2.3
202.02696	0.7
210.03192	2.5
211.03915	0.6
214.02672	2.6
225.05569	1.8
226.02675	6.0
227.03412	0.7
229.01418	1.7
239.03426	0.8
241.04987	0.8
242.02161	7.3
253.01353	1.0
254.02141	3.2
255.02759	0.8
269.00958	1.0
269.04367	1.4
270.01672	14.9
271.01953	1.0
281.00900	0.9
283.02411	1.9
284.03229	1.5
285.04034	18.2
286.04303	2.1
297.03998	2.2
298.01254	4.1
299.05707	2.1
312.02737	0.8
313.03519	80.2
314.03940	6.5
327.05081	5.2
328.05823	18.6
328.12738	1.1
329.06186	1.4
343.08194	100.0
343.15329	3.4
343.21198	7.7
344.08514	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	343.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44953	0.5
57.97435	0.6
59.01384	3.8
61.98825	0.8
67.23022	0.5
69.56901	3.1
71.01378	4.8
73.72797	0.6
74.05034	0.5
87.00848	0.5
89.02427	0.5
89.56169	0.5
93.03464	4.0
96.00932	0.5
97.87617	0.5
98.02498	0.8
98.19974	0.7
101.02428	1.1
108.02169	14.5
109.02950	29.5
112.96451	0.6
113.02377	0.7
115.00364	6.0
117.03490	1.0
118.98128	0.6
119.05056	1.6
121.02928	2.4
122.03724	8.5
123.04542	2.9
124.01665	0.6
130.08713	1.7
131.05009	0.8
133.06625	0.7
135.04538	3.7
136.05299	6.5
137.02458	2.6
137.06029	1.0
138.88847	0.5
139.03993	1.0
139.07579	0.7
143.05011	0.6
145.06569	1.5
146.03662	0.7
147.04504	1.5
148.05261	0.8
149.06107	0.7
151.04042	0.7
154.02682	0.7
161.06030	1.2
163.03957	0.7
166.06352	0.8
177.05679	0.7
179.03499	1.0
180.04262	7.7
181.05026	2.4
181.08698	1.7
185.06061	0.7
204.76308	0.5
209.06213	0.6
210.06737	0.7
213.09132	1.0
221.05930	0.6
225.05492	0.9
226.06332	18.4
227.07082	13.5
228.07428	1.6
237.09178	0.7
239.07092	1.5
240.07861	1.0
253.08762	3.6
255.10248	100.0
256.10614	9.5
281.08130	0.6
299.09290	1.0
299.15823	0.6
304.17139	0.6
309.14651	2.8
326.17142	1.0
343.08258	10.1
343.14102	2.1
344.08563	1.2
344.18274	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.6
59.43103	0.7
61.98825	0.9
63.85634	0.7
67.56589	0.6
69.03458	1.7
70.16483	0.6
70.53230	1.4
70.53566	0.8
71.01381	4.2
72.79630	0.7
83.05045	2.1
84.02173	3.9
85.02958	0.8
89.02443	2.7
97.02967	1.6
97.06583	9.1
99.04527	1.3
101.02451	2.0
113.02468	0.9
119.03531	1.0
125.09722	1.1
127.11293	0.7
127.23257	0.7
137.09711	1.1
169.02899	0.6
171.10272	16.2
175.11264	0.7
179.05624	2.2
192.51466	0.8
193.12321	15.2
194.12715	0.7
211.13390	2.3
221.11833	1.0
225.12794	1.2
225.14961	18.4
243.15984	7.0
244.16219	1.0
305.21515	0.7
341.10904	2.7
341.23331	100.0
342.23727	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28656	0.5
59.01378	6.0
61.98834	0.6
64.58797	0.5
64.81849	0.5
69.03464	1.5
69.19862	2.6
69.20294	1.8
71.01030	0.6
71.01383	4.0
75.96490	0.5
83.05030	1.0
84.02151	1.2
85.02953	1.0
89.02444	4.4
97.06589	10.5
98.19760	0.4
101.02434	1.7
103.89528	0.5
111.08119	0.6
113.02453	1.5
119.03493	1.9
125.09721	1.5
137.09715	1.1
143.26599	0.5
149.13287	0.6
161.04634	0.8
165.12842	1.1
171.10263	6.9
175.11229	0.7
179.05600	1.5
193.12331	18.4
194.12650	1.3
203.25317	0.6
211.13382	2.9
221.11761	0.9
223.17003	0.7
225.14941	21.0
226.15341	2.0
243.16005	9.8
253.14426	1.3
291.19580	1.2
323.22098	0.8
341.11047	3.2
341.23303	100.0
342.23672	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90678	3.3
58.00608	3.1
59.01379	64.2
61.98823	5.1
65.66446	3.7
69.03439	4.1
71.01381	100.0
73.02958	8.3
81.03453	7.4
83.01369	3.8
83.05024	7.0
85.02947	4.8
89.02442	33.0
93.03477	3.9
97.02934	10.7
97.06603	16.2
101.02467	15.9
109.06591	67.2
110.03719	5.1
113.02421	15.3
119.03489	12.0
121.06618	5.7
125.09774	4.8
135.08176	6.9
136.05244	3.6
142.02690	10.5
143.03508	4.0
148.73317	3.7
154.22295	4.0
161.04558	6.0
161.09767	6.5
163.11301	29.1
168.78439	4.6
171.10239	9.3
179.05641	20.8
181.12341	11.7
185.00462	3.4
199.09724	9.4
207.10260	61.9
208.10640	7.4
225.11351	13.5
226.11809	4.0
238.48700	3.7
263.45773	3.7
263.74451	4.1
284.58554	3.3
291.19836	3.3
341.10806	25.1
341.17548	4.3
341.23175	4.8
344.75757	3.0
355.67136	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	341.1241
Annotation	Bidenoside D
Peak:m/z	Relative Intensity
55.01884	1.4
57.03460	1.1
58.00596	1.8
59.01379	100.0
60.01701	0.9
61.98827	0.9
63.29967	0.9
69.03445	1.7
71.01382	45.3
71.53878	1.2
72.99331	2.0
73.02945	70.6
74.03317	1.4
75.00861	1.2
79.95770	0.7
80.94579	0.7
83.00921	1.4
83.01390	19.2
85.02940	6.8
86.03241	0.8
87.00842	2.2
87.92535	0.7
89.02437	14.7
95.01378	1.5
97.02984	0.8
99.00894	1.5
101.02441	52.7
102.02834	0.9
107.04993	1.1
109.02927	0.9
113.02450	13.2
119.03571	5.0
119.05022	18.7
120.05334	1.2
125.02436	3.0
129.01859	1.3
131.03484	4.5
135.04553	2.3
137.02350	0.8
137.06096	3.5
138.05589	2.4
143.03528	3.7
143.04991	1.6
144.05443	0.8
147.02992	1.0
149.04506	2.7
155.03476	1.8
161.04572	8.8
179.05641	3.2
179.10753	3.0
203.05690	0.8
206.59836	0.8
244.23268	0.8
244.25816	0.7
281.10330	0.9
299.11401	2.0
341.06952	1.5
341.11823	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	341.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
57.03433	1.2
58.00597	2.8
59.01380	100.0
60.01735	1.6
62.08950	0.8
64.03141	0.9
69.03434	0.7
69.89861	2.0
69.90252	1.5
71.01380	49.3
72.99300	1.8
73.02947	42.4
73.49776	0.7
75.00877	1.3
83.01378	8.0
85.02951	12.0
85.92741	0.7
87.00884	2.9
89.02444	23.2
90.98586	0.8
95.01415	3.1
99.00880	2.0
101.02441	35.4
101.03105	1.8
107.05081	1.0
108.86359	0.7
113.02449	25.6
119.03573	9.1
119.05025	44.2
120.05352	1.1
125.02438	1.5
129.01973	2.4
131.03517	1.8
133.02960	1.0
134.03778	2.1
135.04526	48.1
136.05042	1.1
137.02437	1.7
137.06076	2.9
143.03540	2.8
147.04486	1.1
147.22945	0.7
149.04565	1.3
153.73621	0.7
155.03549	1.0
161.04558	4.9
161.05803	0.9
167.03438	0.9
179.03505	49.2
179.05577	4.6
180.03867	2.7
195.05136	1.4
200.60951	0.7
253.08826	1.0
281.10275	16.7
282.10828	1.6
299.11362	5.9
309.73410	0.7
341.08401	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	341.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96913	0.9
51.72282	0.8
55.01864	1.2
57.03446	2.3
58.00591	3.9
59.01381	100.0
60.01703	1.4
71.01382	64.2
71.28753	2.1
72.01718	1.1
72.99295	3.1
73.02938	2.8
78.14077	1.0
83.01375	2.4
85.02939	11.0
87.00862	5.0
89.02448	85.0
95.01395	3.6
101.02441	33.6
113.02450	27.9
119.03500	32.6
131.03510	4.7
135.04514	7.4
143.03510	9.8
149.04526	7.0
161.04564	11.1
179.05609	42.0
180.05910	1.9
317.87241	1.1
341.10870	64.5
342.11185	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	341.1085
Annotation	Sucrose
Peak:m/z	Relative Intensity
55.01879	1.0
57.03445	1.7
58.00595	3.0
59.01379	100.0
60.01707	1.2
70.15798	1.1
71.01381	68.5
72.01730	0.9
72.99305	3.0
73.02963	1.9
75.00867	1.5
81.03474	0.4
83.01395	2.5
84.02179	0.4
85.02954	10.0
87.00874	4.5
89.02444	78.8
90.02778	1.6
95.01382	4.3
97.02943	0.8
98.19958	0.3
98.20503	0.5
99.00896	0.9
101.02442	31.6
102.02750	0.7
107.03489	0.6
113.02451	24.3
114.02780	0.6
115.04030	0.4
117.25395	0.3
119.03499	28.1
120.03847	0.7
125.02431	1.0
131.03503	4.5
135.43489	0.3
142.02652	0.3
143.03505	8.1
144.03899	0.4
149.04543	2.7
161.04552	9.8
162.04887	0.3
179.05606	36.8
180.05988	1.3
198.63989	0.3
205.65833	0.3
221.06520	0.4
237.05930	0.3
238.84999	0.3
281.08725	0.4
341.10864	48.8
342.11230	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.03439	1.0
58.00601	3.3
59.01377	100.0
59.65298	0.6
60.01699	0.7
69.62180	1.3
69.62596	2.6
71.01379	68.1
72.01733	0.9
72.99308	3.5
73.02943	3.5
75.00873	1.1
78.92130	0.6
83.01395	2.2
85.02947	9.3
87.00876	5.0
89.02442	82.8
90.02772	0.7
95.01392	3.3
97.02934	0.7
101.02441	29.3
107.03536	0.6
113.02449	24.4
119.03500	27.7
120.03900	0.6
131.03497	4.8
135.04507	3.9
143.03494	8.1
149.04549	4.4
161.04552	10.0
179.03558	2.6
179.05602	35.3
180.06032	1.3
193.22433	0.6
201.44257	0.8
281.08743	0.8
304.08423	0.6
341.10907	49.2
342.11197	4.2
353.43756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	Trehalose
Peak:m/z	Relative Intensity
55.01870	1.5
57.03441	2.3
58.00587	2.6
59.01376	100.0
60.01715	1.2
61.98822	2.6
69.68196	2.3
69.68604	3.0
71.01379	70.0
72.99305	1.7
73.02953	2.9
83.01409	2.6
85.02950	10.5
87.00884	5.7
89.02440	82.6
90.02783	1.0
91.02241	2.0
95.01397	4.1
99.00873	1.3
101.02437	33.2
107.05033	1.2
113.02444	25.4
119.03495	29.9
125.02476	1.3
131.03479	4.3
135.04520	31.0
135.05536	1.9
142.67770	0.9
143.03490	8.0
149.04568	2.5
161.04553	12.3
173.83394	0.8
179.03546	4.4
179.05592	36.0
180.06746	1.0
211.50703	0.9
218.20819	0.9
281.12457	2.0
341.10892	50.6
342.11154	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	341.0876
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
53.51271	0.4
54.01059	0.4
57.03466	0.7
59.01379	17.1
69.63795	1.5
69.64202	1.5
71.01379	9.1
72.97559	0.6
72.99351	0.4
73.02942	3.1
75.00904	0.7
80.36262	0.5
83.01406	1.1
85.02944	3.7
87.00865	2.2
89.02441	7.7
89.02937	0.5
90.01176	0.4
90.98599	0.4
91.95978	0.4
93.03498	0.8
95.01431	0.4
98.32850	0.5
99.00919	0.6
101.02427	4.9
107.05050	0.9
108.02193	0.7
113.02474	3.6
119.03522	4.6
119.05011	3.8
129.01935	0.8
134.03766	2.6
135.04530	98.1
136.04828	4.5
137.02489	1.0
137.06096	1.4
139.52742	0.4
143.03505	0.7
147.04517	2.0
149.02470	0.5
161.04553	1.4
163.04048	1.0
169.48682	0.5
177.04031	1.9
179.03496	100.0
180.03821	4.4
195.05043	1.7
238.06445	0.7
251.14124	0.5
253.08629	1.4
281.10098	1.6
341.08554	16.2
342.09067	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	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
53.10884	0.4
56.61068	0.4
59.01381	5.9
59.02559	0.4
68.97786	0.4
69.71826	1.8
71.01378	3.6
71.39684	0.4
72.99342	0.7
73.02959	1.3
85.02947	1.4
87.00848	0.6
87.02655	0.5
89.02438	3.4
95.37083	0.4
101.02460	3.0
107.05029	1.8
113.02442	1.1
113.58115	0.4
117.03437	0.5
119.03515	1.1
119.05049	1.4
124.26238	0.5
129.01895	0.4
130.92322	0.5
133.02974	1.3
134.03741	2.9
135.04526	99.9
135.99817	0.5
136.04836	4.4
152.84065	0.5
161.04517	0.6
179.03496	100.0
180.03799	3.9
195.05156	0.5
237.32932	0.5
244.30954	0.4
281.10321	0.7
304.90036	0.4
341.08389	5.2
342.12097	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
55.06532	0.3
56.88213	0.4
69.29601	1.6
69.30002	0.9
88.80455	0.3
107.05008	0.3
130.67598	0.3
147.08110	0.4
156.38696	0.3
163.11279	100.0
164.11603	4.4
173.69720	0.3
254.32207	0.3
312.42371	0.4
339.23248	69.6
340.23587	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	341.0875
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
57.03431	0.4
58.00574	0.4
59.01379	12.3
69.41232	0.6
69.41636	2.1
71.01376	8.7
72.99306	0.5
73.02933	0.6
77.36372	0.3
79.63667	0.3
83.01398	0.5
85.02953	1.4
89.02439	8.3
95.01413	0.4
101.02432	3.8
107.05038	1.3
113.02447	3.0
114.02742	0.3
119.03506	2.4
119.05019	0.4
130.15762	0.3
131.03522	0.6
131.56152	0.3
133.02922	0.6
134.03745	2.5
135.04521	100.0
136.04848	4.3
143.03481	0.9
143.23990	0.3
149.04517	0.4
161.04543	1.2
177.02000	0.4
179.03496	6.7
179.05608	3.2
180.03772	0.6
190.78424	0.3
273.05560	0.3
289.47516	0.4
341.11240	4.2
342.11246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
59.01379	100.0
59.60762	0.8
60.01721	1.0
61.98837	1.7
71.01378	10.9
71.53037	0.8
71.53519	0.8
72.99334	1.4
73.02957	3.4
78.95930	0.7
83.01409	2.1
85.02956	7.9
89.02452	3.1
93.03457	0.8
95.01454	1.1
96.96026	2.5
99.00916	2.7
100.55530	0.8
101.02439	10.9
105.03482	0.9
109.02976	3.3
110.56701	0.6
113.02436	4.5
115.04071	1.1
119.03501	1.7
119.05038	1.5
125.02509	1.8
129.01987	1.9
133.02931	4.6
134.03764	2.7
135.04550	3.3
144.03017	0.8
147.04558	2.6
148.05177	0.8
149.02400	1.2
149.06125	3.3
159.03018	2.8
161.02470	2.1
161.04549	9.4
163.04062	1.8
165.04593	1.2
173.06056	0.7
175.04063	2.5
176.01279	1.1
176.03468	1.2
177.01932	42.3
177.03987	4.1
178.00874	0.8
178.02356	2.0
179.03517	1.2
185.04601	1.1
189.05620	2.0
191.07170	1.0
193.05099	1.5
215.12929	0.8
217.05115	2.1
219.02977	1.2
221.04816	0.9
222.08922	1.0
235.06175	2.2
237.04169	1.8
279.05234	1.2
279.14487	25.9
280.15112	1.2
295.08380	2.0
339.07373	11.9
339.11127	2.3
339.15530	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	339.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.8
61.98824	0.3
64.60659	0.2
69.19843	1.1
69.20274	1.1
71.01373	0.4
72.99309	0.3
74.92160	0.2
75.00861	0.4
85.02953	1.0
91.05521	0.3
96.96014	0.9
98.02483	0.3
98.20451	1.1
99.00871	0.3
101.02425	0.2
102.66689	0.2
107.05048	0.7
112.98814	0.4
113.02358	0.4
121.48883	0.2
123.02746	0.9
124.03122	0.4
134.03741	1.9
135.04527	100.0
136.04865	4.0
174.01680	0.2
178.08801	0.4
196.02509	0.5
197.02930	0.4
197.94226	0.3
207.93530	0.2
222.07732	0.5
256.68625	0.2
277.88232	0.3
307.08408	0.3
319.46954	0.3
339.11105	0.5
339.18216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36068	4.3
57.03449	6.9
58.93167	5.1
59.01377	90.8
71.01381	43.0
72.99300	60.6
75.00861	14.9
83.01366	6.4
85.02927	13.8
89.02438	63.4
91.84896	5.5
96.37039	5.4
96.95976	9.2
97.06578	21.5
99.00883	28.3
101.02444	9.7
103.02888	4.8
107.05049	8.6
109.06569	7.1
111.00813	4.9
111.08147	12.1
112.98800	15.7
117.01949	67.7
121.06595	11.6
123.04546	5.5
124.01617	7.3
124.98721	5.5
125.06078	15.5
129.01846	7.1
135.02997	19.5
135.08160	7.1
137.02402	7.1
137.06055	6.9
139.07651	21.2
142.99858	100.0
147.02995	5.2
147.61000	5.7
149.06157	25.0
153.05598	37.0
165.05322	5.4
166.06340	5.8
167.07150	51.0
171.06671	12.8
171.10234	5.7
173.00905	49.2
174.01701	55.3
181.08786	14.6
183.06630	7.0
193.05020	17.1
210.05403	6.4
211.06053	12.3
225.07663	64.4
226.08051	7.7
263.07187	8.8
271.08154	21.8
303.10745	11.3
309.07755	29.8
323.09406	7.2
324.09958	15.7
339.11929	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	339.0721
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
51.43959	0.4
57.08171	0.4
59.01377	2.4
61.98822	0.6
63.03028	0.3
65.00339	0.8
65.03958	1.5
67.01884	0.7
69.27210	1.3
69.27637	1.7
71.01379	1.0
85.63660	0.4
88.26636	0.4
91.01897	48.3
92.02220	1.7
107.01340	0.4
108.02184	0.7
109.02956	13.1
115.00373	1.1
116.28885	0.3
121.02976	1.3
123.04494	1.0
133.01413	1.0
133.02957	1.1
135.00887	100.0
135.11763	0.9
136.01138	3.5
137.02446	2.4
149.02444	1.4
153.01935	62.7
154.02306	2.5
161.02470	2.0
162.02670	0.4
177.01924	1.4
179.10803	4.2
189.01938	1.6
221.83206	0.4
223.09775	1.1
272.92566	0.5
279.05124	1.2
297.06073	0.9
339.07172	33.6
340.07419	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	339.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
57.03445	15.5
59.01380	30.0
64.41892	1.2
70.36493	3.1
71.01382	16.9
72.99317	2.3
73.02966	1.4
79.21743	1.2
83.01404	2.8
84.02172	2.2
85.02953	100.0
86.03289	2.1
87.00892	4.9
96.96021	1.9
97.02927	1.5
101.02440	3.3
103.00373	2.2
111.00881	3.6
115.00386	5.5
121.02957	7.0
129.01968	9.7
133.01489	1.1
135.04526	76.1
136.04851	2.8
147.02991	13.3
147.04503	4.8
149.02431	30.6
161.04608	2.0
164.04794	24.2
165.04996	1.1
173.00970	1.2
179.07118	1.7
191.01959	26.8
193.01367	2.2
207.06662	2.2
208.03780	3.6
223.06119	51.5
224.06494	3.8
235.51231	0.9
256.25781	1.2
279.08551	1.1
297.09824	3.7
338.23468	1.0
339.07233	2.9
339.10934	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	339.0718
Annotation	AESCULIN
Peak:m/z	Relative Intensity
50.28018	0.2
59.01374	2.0
62.33937	0.2
69.56123	1.5
79.83530	0.2
81.03461	0.4
84.33372	0.2
85.02943	0.3
89.03959	1.5
95.05003	0.2
96.96027	0.4
99.90311	0.2
104.02685	0.7
105.02809	0.3
105.03464	3.0
109.72471	0.2
133.02959	7.7
134.03374	0.4
148.01665	0.6
149.02423	0.9
154.37862	0.2
155.07530	0.2
175.03978	0.2
176.01125	1.9
177.01923	100.0
178.00777	0.3
178.02286	4.2
225.26906	0.2
234.96854	0.2
252.12154	0.2
279.14325	0.3
311.53119	0.2
339.07178	15.3
340.07385	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95621	0.5
59.01378	100.0
60.01705	0.8
69.59498	1.7
69.59922	1.5
71.01394	1.1
74.96163	0.6
81.04316	0.5
85.02953	1.6
87.50861	0.5
89.02459	0.6
96.96037	0.9
104.77215	0.4
109.33115	0.5
111.00788	0.5
117.41033	0.5
118.82188	0.5
127.78678	0.5
133.02950	0.6
163.04091	0.8
167.90114	0.6
173.04465	0.6
191.05673	0.8
201.72136	0.5
202.22475	0.5
238.82668	0.5
256.11014	0.6
337.09747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.6
58.77840	1.0
59.01380	100.0
61.98822	2.9
70.90849	2.1
70.91202	1.3
71.01380	27.6
73.02946	3.0
75.00874	2.2
77.31560	1.0
79.97232	0.9
83.01384	2.8
85.02950	8.2
87.00880	2.6
89.02444	33.4
90.02772	1.4
95.01401	1.3
99.00880	2.7
101.02444	15.9
111.01987	2.4
113.02447	14.4
113.99584	7.7
115.00365	3.6
115.04021	3.5
119.03508	13.4
125.02435	1.3
127.00355	1.7
135.63089	1.1
135.85979	0.9
143.03494	2.4
149.04578	1.6
157.01399	2.0
161.04567	4.9
163.03964	1.4
174.01712	7.6
175.02458	4.0
179.05597	10.8
183.68285	1.2
192.59389	1.0
277.05640	6.9
277.09302	4.4
337.07767	37.5
337.11386	4.8
338.08340	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	337.0925
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.38852	0.6
55.83443	0.5
57.03442	1.4
59.01378	49.0
60.01720	0.8
61.98827	0.7
62.12013	0.6
67.01899	1.0
71.01377	14.5
71.53819	1.0
72.25291	0.6
72.99326	1.7
73.02947	1.9
83.01395	1.2
83.05012	1.1
84.08683	0.6
85.02946	18.0
87.00883	2.1
89.02444	17.5
93.03461	5.8
94.02997	0.9
95.01392	2.0
96.96021	2.7
99.00900	1.8
99.08156	0.9
101.02443	9.3
103.04005	1.7
106.10664	0.6
108.04517	0.7
109.02975	1.1
111.00888	1.1
111.04523	2.1
111.08168	0.7
113.02451	5.5
115.00365	0.9
117.03479	0.9
119.03534	5.2
119.05023	59.9
120.04548	0.7
120.05347	2.0
122.27609	0.6
124.07635	1.2
124.59091	0.6
125.02464	1.0
127.03986	1.6
129.01945	1.5
129.09232	1.8
131.03496	0.7
133.03004	1.2
136.07658	2.4
137.02451	0.8
138.05511	0.7
138.08499	0.7
143.03540	0.7
145.02939	3.7
147.03026	3.4
148.04094	0.8
149.05969	0.8
151.00281	0.8
155.03467	1.9
157.08687	7.1
161.02434	1.0
161.04561	2.8
161.05949	0.6
163.04001	100.0
164.04362	4.2
168.06627	2.0
173.04543	9.4
174.01729	0.9
175.02684	4.0
175.04062	1.1
175.09723	6.1
176.03510	20.6
177.01784	0.9
179.05608	1.4
191.01956	2.3
191.05598	51.0
192.05945	2.0
206.53191	0.8
277.12082	1.8
337.08990	9.6
337.14993	53.6
338.08774	7.0
338.15424	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	337.093
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03456	2.2
59.01381	11.1
59.18287	0.4
60.99298	0.7
61.98832	1.1
65.92923	0.4
67.01896	4.1
69.03449	1.5
70.65986	1.3
71.01383	4.6
72.99319	0.5
79.95728	0.5
81.03458	0.8
83.01366	1.0
83.05016	1.1
85.02946	9.4
85.06578	0.6
87.00880	1.8
89.02424	1.0
93.03453	27.1
94.03799	0.7
96.95978	2.5
97.02950	0.6
98.20592	0.4
99.00881	0.9
101.02422	1.4
103.50470	0.5
109.02946	1.2
111.00880	1.6
111.04516	4.6
113.02435	1.2
115.00375	0.5
115.03994	1.0
117.03513	0.5
119.05018	13.6
120.05408	0.6
129.01959	0.9
133.02928	1.0
137.02454	4.1
144.04535	0.6
145.03000	2.1
147.03004	1.3
155.03487	4.7
159.02959	1.0
161.04599	0.6
161.07216	1.3
163.04008	20.0
164.04416	1.0
173.04538	100.0
174.04861	3.8
175.04060	0.6
178.08868	0.5
191.01949	5.2
191.05615	7.3
204.07710	1.3
213.14999	0.5
257.13788	0.5
337.09570	5.7
337.13525	0.8
338.09131	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32623	0.6
55.01882	1.4
57.03443	2.5
59.01380	46.8
60.53019	0.7
64.56303	0.6
69.03444	1.0
71.01383	15.1
71.53522	1.1
72.99316	1.6
73.02952	2.5
83.01385	2.1
83.05019	0.7
84.07289	0.6
85.02952	18.4
87.00867	3.0
89.02444	20.5
89.03924	1.0
93.03452	4.9
95.01365	1.7
96.96005	2.9
99.00880	1.1
99.08171	0.9
101.02432	9.3
103.04026	1.4
109.02924	0.8
111.04514	2.2
111.08126	0.8
113.02467	5.9
117.03529	0.8
119.03524	6.6
119.05024	54.0
120.04588	1.1
120.05401	1.9
124.07681	1.3
127.04005	1.4
129.09227	1.9
130.32829	0.6
131.03516	0.8
133.02986	1.0
135.04559	0.9
136.07680	2.7
137.02399	1.4
138.05655	0.7
143.03485	1.1
145.02904	3.3
146.03375	0.7
147.02985	1.8
149.06052	1.0
155.03508	1.4
157.08693	6.9
159.03046	0.7
161.04538	1.6
163.04010	100.0
164.04347	5.2
165.26085	0.6
168.06680	0.8
173.04539	8.9
175.02670	4.2
175.04012	0.9
175.09749	4.5
176.03517	17.3
177.01900	0.9
179.05658	0.9
191.01964	2.6
191.03801	1.6
191.05606	46.6
192.06004	1.2
233.04564	1.1
247.08264	1.4
277.03409	1.7
277.12555	0.8
289.12265	0.6
319.13318	0.9
337.09085	10.9
337.15015	55.2
338.08951	5.8
338.15369	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	337.0775
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
55.01895	0.6
59.01374	1.6
61.12075	0.6
68.99806	2.9
69.04208	0.7
70.64053	1.9
71.01392	3.7
72.99300	0.7
73.02937	1.0
73.47244	0.8
75.00871	1.1
79.72350	0.6
83.01385	1.1
85.02943	5.5
87.00877	2.1
89.02434	1.2
94.32004	0.6
95.01418	0.9
97.02963	0.6
99.00886	4.1
101.02441	1.8
111.00877	1.2
113.02434	5.6
113.99583	18.5
115.00378	8.5
127.00378	2.5
129.01949	2.4
133.01418	6.3
139.00426	1.2
149.04561	1.0
157.01390	5.0
165.04068	3.0
169.01385	1.5
174.01678	17.2
175.02368	1.3
277.05594	18.0
286.73730	0.9
337.07748	100.0
338.08090	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0928
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03440	0.6
59.01381	3.0
59.73933	0.3
67.01884	0.5
71.01378	1.3
71.02149	0.5
71.02464	0.3
71.05035	0.3
73.02935	0.4
73.49903	0.3
78.24254	0.3
83.05006	0.3
85.02945	8.0
87.00875	2.2
93.03458	4.2
94.03780	0.3
96.96013	5.0
97.76528	0.3
109.02940	0.6
111.04506	1.2
113.02485	0.3
117.03433	0.3
119.05035	2.3
127.04006	2.1
129.01898	0.5
143.07138	0.6
145.02904	1.1
163.03986	1.9
171.03035	0.7
173.04584	1.9
191.05611	100.0
192.05966	3.1
215.12856	0.6
233.60695	0.3
257.13916	0.3
337.09619	6.1
337.13297	0.4
338.09644	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
59.01376	27.9
61.98812	0.9
68.99813	2.2
69.03477	0.9
69.99710	3.2
71.01381	11.7
72.18047	0.8
73.02950	1.9
75.00879	1.9
83.01384	3.1
85.02958	8.2
87.00391	0.6
87.00854	3.9
89.02446	11.5
95.01374	1.4
95.89323	0.6
97.02954	0.7
99.00871	6.1
101.02433	6.2
111.00851	1.9
111.01998	1.0
112.98752	0.7
113.02451	9.3
113.99587	18.0
115.00387	9.7
119.03506	4.5
127.00357	3.1
129.01926	2.5
131.03476	1.1
138.29166	0.7
139.00389	0.9
142.23065	0.7
143.03471	0.9
157.01443	4.5
158.08528	0.7
161.04530	1.5
169.01448	1.6
174.01691	22.2
175.02438	5.0
179.05618	4.6
211.94228	0.7
251.92073	0.7
277.05652	17.6
278.05881	1.5
337.07764	100.0
338.08151	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	335.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
57.03447	13.1
59.01378	7.6
60.47549	0.3
60.47972	0.4
61.98824	1.5
65.20619	0.3
68.99828	0.5
69.37443	2.4
71.01381	3.1
72.99303	1.5
75.00864	0.8
83.01382	1.5
84.02170	2.8
85.02946	100.0
86.03284	1.6
87.00871	1.7
89.02441	0.7
95.96004	0.3
96.96009	0.9
98.20604	0.6
99.00919	0.3
101.02445	0.7
103.00388	2.2
103.10999	0.3
111.00903	0.4
115.00380	0.6
129.01935	8.6
133.01411	0.6
143.10774	5.6
147.03000	8.3
173.00824	0.6
191.01961	35.5
192.02292	1.5
209.03011	4.4
211.13301	0.4
232.19255	0.3
274.49066	0.4
293.31326	0.4
310.33984	0.3
317.12390	0.9
335.13455	4.2
336.13782	0.5
336.27917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62337	0.3
55.01881	2.5
56.01364	0.2
57.03448	14.1
59.01378	9.0
61.98833	2.2
68.99809	0.8
71.01379	3.3
72.99306	2.0
73.02916	0.3
75.00875	1.0
83.01385	1.5
84.02168	2.9
85.02949	100.0
86.03248	1.7
87.00867	1.2
89.02444	0.7
96.96024	0.8
101.02451	0.9
103.00360	1.5
111.00864	0.9
115.00407	0.3
122.42790	0.3
129.01941	9.3
133.01424	0.8
143.10777	5.3
147.02992	9.9
153.87059	0.3
169.55923	0.2
173.00926	0.6
191.01967	31.5
192.02303	0.9
209.03030	4.0
293.14130	0.3
317.12488	0.8
335.13461	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	335.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
57.03448	1.0
59.01371	1.5
61.98823	0.9
64.84777	0.4
70.39120	1.0
70.39471	0.6
71.01365	1.1
71.05029	2.2
79.95765	1.4
83.05018	4.6
85.02956	1.8
87.37704	0.3
89.02454	0.5
96.21603	0.4
96.96011	100.0
99.00853	0.4
101.02431	0.5
129.01958	0.7
129.09200	0.6
154.21292	0.4
167.14410	5.8
172.65633	0.4
194.06297	0.4
207.06989	0.6
237.14925	1.4
255.16014	34.9
256.16245	1.8
298.06531	0.4
335.11661	85.9
336.11972	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	335.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
57.03452	3.6
58.00594	2.7
59.01380	83.4
60.01717	0.9
69.03474	0.6
69.73874	1.8
71.01382	40.2
72.99304	2.5
73.02949	4.7
79.06136	0.4
80.93668	0.5
83.01407	2.9
83.05021	10.9
83.05479	0.6
84.67439	0.5
85.02952	16.4
87.00897	1.6
88.68702	0.6
89.02447	34.4
95.01405	3.1
95.05058	0.7
96.96029	1.1
97.02969	1.4
98.19949	0.6
98.20506	1.0
99.00876	1.9
99.04530	0.5
99.08157	6.5
101.02440	27.3
101.09704	0.9
102.02756	0.7
111.08149	7.6
113.02450	19.4
115.04009	6.8
119.03500	16.0
129.09207	1.6
131.03506	1.8
143.03459	2.4
149.04527	1.1
155.07146	5.0
159.02983	1.0
161.04558	7.5
173.08186	41.9
173.86714	0.5
174.08495	1.5
179.05623	3.9
185.02586	0.5
195.50610	0.5
272.12033	0.6
335.13461	100.0
336.13806	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	334.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
61.98829	100.0
71.01395	0.4
71.45387	0.6
73.02946	0.3
85.02961	0.9
96.96018	1.2
129.01898	0.3
140.04898	0.3
158.71655	0.3
161.03569	1.5
161.04752	0.3
173.00954	0.3
173.04678	0.4
174.01706	1.2
183.03081	0.3
189.06711	0.3
193.05078	1.1
243.11494	0.3
255.48610	0.3
257.09225	0.4
259.10931	0.6
275.10501	0.5
290.12738	0.5
334.14352	0.4
335.11768	0.4
338.83813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.7
59.01374	1.3
61.98830	40.1
64.84583	1.0
69.03485	1.1
69.39435	8.0
69.39828	2.0
84.34097	1.0
97.06561	1.4
101.42819	1.2
109.06583	5.4
123.08154	3.5
124.05302	5.6
136.05280	3.2
139.07654	31.2
149.09740	1.8
151.07663	16.6
153.09158	3.1
161.09698	3.1
169.08690	1.8
179.10771	22.5
182.12682	1.4
189.09230	2.1
191.10741	4.9
197.11810	2.3
209.11847	10.9
227.12883	11.6
271.11859	100.0
272.12222	6.4
277.60492	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46512	0.4
59.01366	0.6
61.98832	0.8
71.82728	0.4
79.95747	1.3
85.41263	0.5
85.50898	0.4
92.64429	0.3
96.96009	100.0
97.78381	0.5
98.20771	0.6
168.37987	0.4
207.06941	4.1
207.17285	0.5
210.94226	0.5
224.61784	0.4
253.18095	4.5
294.74393	0.5
333.13760	84.0
334.14084	6.0
344.43530	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.4
60.65947	1.1
61.58401	1.0
61.98829	100.0
62.44919	1.0
62.88206	0.8
71.01403	5.4
71.52195	2.2
74.28774	1.0
85.02943	1.2
87.00871	2.4
89.02434	4.4
96.96007	1.0
101.02429	2.9
109.02477	1.5
112.04044	9.0
113.02430	2.0
121.36810	1.1
136.04018	3.8
143.38031	1.0
167.59354	0.9
271.11932	1.3
335.13486	4.2
336.28360	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27594	0.3
52.01099	0.3
58.97717	0.3
59.01228	0.3
59.01495	0.7
64.02029	0.4
64.36871	0.3
69.37885	2.5
71.44969	0.3
78.03622	0.7
79.95832	0.3
80.05158	0.6
83.37173	0.3
85.03081	0.6
92.04601	0.6
92.05222	1.9
94.03098	0.4
94.06152	0.5
94.06791	3.1
96.96163	0.9
98.95728	0.7
103.04382	0.5
104.04490	0.6
104.05251	2.5
105.03628	1.7
106.03168	0.5
106.06005	1.3
106.06799	11.6
107.03925	0.7
107.07125	0.4
108.04728	1.3
119.90707	0.3
120.04736	5.1
121.05492	0.9
122.02618	0.7
122.05350	1.0
122.06300	13.3
122.74139	0.3
123.03446	2.1
123.06568	0.4
124.07832	1.1
131.03880	0.7
132.03688	0.5
132.04732	6.9
135.03427	1.0
136.04176	0.5
138.04628	1.4
138.05608	21.9
139.06030	0.6
140.07336	0.5
148.04228	0.9
150.05588	2.5
166.05266	0.6
174.12975	0.9
187.10074	0.3
189.08095	1.2
197.07356	0.5
200.06012	0.4
203.09572	0.4
209.11949	0.8
212.09668	0.6
213.06711	0.7
215.12003	1.4
217.07410	1.7
228.09006	0.6
229.09937	0.7
231.09102	0.6
231.11388	0.9
241.09796	2.7
243.11284	2.0
259.10797	0.5
271.10971	0.9
289.11923	100.0
290.12265	8.0
333.10803	10.7
333.14655	0.4
334.11099	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1033
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
57.03453	0.5
59.01381	2.5
69.66823	1.4
69.67233	1.2
71.01373	1.7
73.98243	0.5
74.99084	0.9
82.00576	0.4
83.01380	0.5
83.48387	0.5
84.00850	0.7
85.02955	3.0
87.00830	0.7
95.01402	0.5
97.02982	0.4
99.00888	0.6
101.02415	1.3
108.02180	2.2
109.02940	0.5
110.00084	5.9
113.02435	3.0
118.67136	0.4
120.99646	0.6
123.00904	1.0
123.04480	0.6
124.01652	2.6
125.01529	0.9
125.02444	14.4
127.04032	0.9
127.13074	0.4
131.03528	0.4
135.98297	0.5
136.99117	0.8
137.02426	0.9
137.99582	6.9
139.00343	1.8
140.01123	0.8
149.99556	3.1
151.00346	0.9
151.03951	0.6
152.01147	2.7
153.01927	100.0
154.02435	4.4
155.03520	2.5
161.04538	1.3
166.02708	0.8
167.02180	0.5
167.03482	12.5
168.00638	7.6
168.04271	50.2
169.01434	5.2
169.05032	8.2
170.05342	0.6
174.01831	0.5
179.03488	0.9
191.03487	0.9
209.04518	1.2
211.06073	1.0
242.02548	0.4
271.08057	0.5
299.07822	0.5
306.26239	0.4
313.05499	0.9
315.92416	0.4
331.06708	12.0
331.10379	4.3
332.07050	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52262	0.6
59.01371	2.9
61.98835	4.3
69.66101	3.4
71.01366	1.1
74.79002	0.7
78.03494	1.2
79.95752	0.6
82.02986	1.4
85.02952	2.8
92.05049	1.6
94.06625	5.3
95.05003	0.8
96.96008	2.2
98.20024	1.3
100.03035	0.7
101.02437	1.8
102.91260	0.8
104.05051	2.2
105.03432	1.3
106.06628	12.3
108.04558	1.4
113.02414	0.9
116.05061	1.8
120.04543	5.5
121.05373	1.6
122.02443	1.3
122.06125	14.5
123.03274	1.9
129.01950	4.5
132.04547	8.1
133.84653	0.6
135.61229	0.7
138.05615	23.5
148.03952	0.7
150.05586	2.3
166.05078	0.7
174.12837	0.6
174.18045	0.6
174.60570	0.7
180.68869	0.7
189.07996	1.2
200.06050	0.8
203.08144	3.5
213.06555	0.8
215.11829	1.8
217.07452	1.5
228.08865	0.9
231.08992	1.0
233.17551	0.7
241.09834	2.7
243.11333	2.3
271.10721	1.1
289.11938	100.0
290.12347	7.9
315.09857	1.6
333.10806	11.7
333.14096	5.0
333.19214	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	331.0671
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.19866	0.6
51.99223	0.5
57.29872	0.7
65.17081	0.5
69.03453	1.9
69.29771	4.5
69.30165	1.0
69.37359	0.6
69.74823	0.5
70.16764	0.6
72.18240	0.6
79.01870	1.0
81.03484	0.8
83.01416	1.5
95.01379	0.8
97.02938	2.1
98.20061	2.4
107.01380	2.0
111.97231	0.5
112.04921	0.6
123.00873	4.6
124.01673	12.7
125.02450	52.7
126.02803	1.3
137.02457	0.7
149.98376	1.4
149.99582	24.6
151.00226	1.2
156.54869	0.6
167.03500	0.7
168.00644	54.8
169.01393	4.6
193.01291	0.6
206.42931	0.6
313.05560	5.2
331.06696	100.0
332.07010	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	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.22339	0.6
51.63021	0.6
59.01365	2.0
65.41443	0.7
69.03442	1.5
71.52238	0.7
79.01894	1.2
80.89314	0.5
81.03465	1.7
83.01379	1.6
85.27831	0.6
92.61742	0.6
97.02940	2.1
98.89690	0.6
107.01381	1.2
108.02180	3.0
122.00065	0.6
123.00881	3.0
124.01669	13.0
125.02446	63.4
126.02774	1.8
137.02419	1.1
149.99586	23.7
151.00398	4.1
153.71811	0.6
159.80870	0.6
161.04543	1.0
162.70973	0.6
168.00635	60.6
169.01414	16.5
170.01770	0.8
219.91180	0.8
271.08322	0.8
283.76251	0.6
294.63715	0.7
313.05740	7.0
331.06686	100.0
332.07001	7.2
341.05493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1194
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
59.01380	17.7
61.98829	27.9
63.65747	1.1
68.12584	1.0
71.01377	10.4
71.52183	1.7
72.99300	1.0
73.02944	1.6
74.06673	0.9
83.01387	2.2
85.02947	3.8
86.00097	3.9
87.00877	18.9
89.02447	8.1
89.02916	1.4
93.68654	1.0
95.01385	1.2
99.00890	3.0
101.02439	5.6
107.03751	1.6
108.02184	8.6
108.04550	2.4
108.57053	0.9
109.02946	1.4
111.00876	1.7
113.02431	4.6
119.03525	2.2
121.05322	2.4
122.06117	42.8
123.04518	1.4
123.06477	1.7
125.02431	1.9
134.06085	4.7
135.03224	1.5
136.04065	1.8
136.07680	19.7
138.05536	1.3
146.06116	1.2
148.03990	1.2
148.07617	2.0
148.31506	1.1
150.05600	100.0
151.03986	4.6
151.05904	5.3
152.07176	9.6
158.72853	1.1
161.04581	4.3
162.05606	3.5
164.07147	4.1
168.06638	3.5
169.01492	1.3
169.05031	1.3
174.05618	2.4
174.99208	1.4
175.06374	3.5
176.07166	9.4
192.06625	2.2
194.08192	4.6
204.06628	1.9
222.07727	3.5
240.96692	1.3
252.08765	1.9
271.08292	1.6
312.10876	55.2
313.11258	4.4
330.04730	3.4
330.11911	41.3
331.07458	2.2
331.12305	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	330.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39099	1.2
51.23791	1.3
57.03448	1.7
58.00579	4.0
59.01378	100.0
60.01686	2.0
61.64940	1.2
61.98832	1.9
68.93022	1.2
71.01378	54.3
71.54189	1.7
72.99288	4.2
73.02929	1.6
83.01355	3.1
85.02956	11.5
87.00850	2.7
89.02441	56.0
95.01392	4.9
96.96024	1.9
97.02953	1.5
101.02435	30.1
106.55593	1.5
108.02174	2.9
113.02438	22.6
116.75135	1.4
119.03493	20.1
122.03744	2.2
138.01953	7.2
143.03485	2.9
151.02722	3.6
152.03543	20.1
161.04532	5.2
161.17389	1.1
164.03424	1.4
166.01503	6.7
168.03009	73.9
169.03381	2.6
179.05566	6.9
180.03058	2.7
192.02968	4.0
197.05725	2.0
210.04063	12.3
215.09196	1.8
222.04007	5.8
225.09294	2.3
240.05104	4.3
270.06232	4.8
286.10730	1.9
330.08273	93.2
331.08673	5.8
331.12164	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72670	0.8
59.01382	7.1
69.15582	8.7
71.01389	1.2
82.02986	6.9
91.33671	0.8
96.96002	2.0
106.06610	5.8
108.32549	1.0
110.02472	1.6
122.06136	1.6
132.04555	25.2
133.05307	3.0
134.06119	32.8
136.04039	2.8
148.03979	1.1
149.04814	2.7
160.02766	1.5
160.04041	17.0
161.04811	33.2
162.05606	77.0
163.05902	3.0
176.03500	2.5
176.07440	0.9
193.03795	50.0
194.04263	3.2
212.07214	4.7
213.07950	2.0
214.08737	5.4
218.84340	0.9
220.35426	0.8
225.06546	0.9
226.08698	2.0
227.44122	0.9
229.09641	1.3
241.06230	6.8
242.11847	3.9
243.11453	4.8
255.07689	1.6
257.09308	8.9
267.11407	1.2
268.09753	3.2
269.09335	6.6
285.12439	72.8
286.12817	5.0
311.10321	11.4
312.10797	1.5
329.11395	100.0
330.11636	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2331
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
54.92583	0.5
55.95956	0.4
57.03434	1.1
59.01373	1.3
61.98824	1.3
62.61946	0.4
62.81788	0.4
69.99462	2.1
71.01393	0.4
83.05019	0.9
85.02972	0.5
97.06573	1.0
98.19984	0.8
98.20541	1.0
99.04474	0.4
99.08153	5.5
100.55060	0.4
122.26174	0.4
125.09706	1.8
127.11295	3.4
128.46652	0.5
130.13976	0.5
139.11273	4.3
155.10760	0.5
155.14441	0.6
165.12834	1.0
167.14366	1.1
171.10245	11.1
172.10703	0.5
181.12331	0.7
183.13878	6.0
193.12334	1.6
197.11830	0.5
199.13484	0.6
200.17836	0.5
209.11862	1.5
211.13382	28.3
212.13753	1.3
229.14426	17.6
230.14848	0.9
311.22388	1.1
329.23291	100.0
330.23663	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	329.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.0
69.37448	8.6
69.37842	2.2
71.01385	5.3
72.99287	1.5
73.02945	6.0
75.00873	3.1
87.00887	2.0
88.66618	1.3
89.02440	20.3
93.84297	1.3
97.91798	1.5
98.20628	1.9
101.02504	2.1
103.04003	2.5
119.03494	5.1
131.03496	5.8
131.96178	1.2
149.04553	100.0
150.04869	3.0
162.91518	1.2
172.87930	1.3
329.09006	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
59.01376	0.7
69.72398	2.2
71.01379	0.9
79.95737	0.6
85.02946	0.7
108.02171	58.0
109.02509	1.2
123.04523	25.3
124.04829	1.2
125.02480	0.7
152.01146	41.4
153.01460	1.1
165.20879	0.4
167.03487	100.0
168.03813	4.4
182.99702	0.5
240.55444	0.4
285.09869	0.6
329.08682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0876
Annotation	32142-31-7
Peak:m/z	Relative Intensity
53.78431	0.5
55.01878	0.5
57.03438	0.5
59.01379	5.3
69.48893	0.8
69.49300	2.1
71.01377	6.6
73.02939	1.9
79.95734	1.2
80.96521	0.5
83.01381	0.7
83.60178	0.4
85.02941	4.9
89.02448	1.6
93.03451	1.6
95.01389	0.6
95.05022	3.8
99.00845	0.6
101.02461	3.5
106.81089	0.5
107.05025	1.3
113.02443	2.5
119.03471	0.5
121.02985	0.6
122.03739	1.7
123.04522	100.0
124.04865	2.9
125.02411	0.6
137.02463	1.6
150.05602	0.5
159.02983	0.7
161.04576	3.2
164.98631	0.5
165.05504	0.9
166.02762	0.5
167.03499	1.4
181.07388	0.6
182.99628	0.5
191.01993	0.8
191.59717	0.5
285.09784	25.5
286.10123	1.9
293.12344	0.7
314.03940	0.5
329.08667	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
54.31368	0.5
57.03439	2.0
61.97136	0.6
65.89949	0.7
66.36237	0.6
69.03457	1.5
69.16250	4.8
69.16664	1.5
71.01366	0.7
83.05016	1.0
85.02944	5.5
94.46609	0.6
95.05040	1.1
97.02930	1.0
97.06599	3.3
110.03722	0.7
118.54997	0.7
125.09713	2.2
127.11282	2.4
131.64990	0.6
137.09734	1.2
145.27885	0.6
155.10722	1.5
155.14412	0.8
165.12814	0.8
167.14438	0.9
171.10266	12.8
177.12843	1.0
183.13887	3.8
185.11813	1.3
193.12337	1.1
197.11873	0.8
209.11819	1.9
211.13383	22.9
212.13817	1.1
221.11827	3.1
229.14436	12.0
239.12866	1.8
291.19617	3.7
309.20685	1.8
327.21750	100.0
328.22107	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	329.0877
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
51.07108	0.5
55.01856	0.5
55.06316	0.5
57.03449	1.1
57.18970	0.6
59.01376	3.6
61.98821	2.0
68.28473	0.6
69.59338	1.8
69.59745	1.4
71.01386	9.0
73.02950	2.4
77.73315	0.5
79.95738	2.2
80.96508	0.9
83.61747	0.5
85.02947	6.6
87.00877	1.5
89.02467	0.8
93.03429	1.3
96.95999	0.7
98.19900	0.9
98.20485	1.5
99.00885	0.9
101.02470	5.3
108.02150	3.7
109.02951	1.7
113.02444	5.0
120.99611	0.8
121.02957	2.5
121.06616	0.6
122.03740	100.0
122.06135	2.1
123.04568	20.6
124.04818	0.8
125.02449	1.6
135.04488	2.5
136.07671	1.4
136.99199	0.7
137.02425	1.4
137.06087	1.6
147.04501	1.9
149.02422	1.0
150.03232	0.8
150.05603	4.4
152.01151	1.4
159.02960	1.6
159.04344	0.4
161.04572	10.9
162.03252	0.8
164.98633	1.6
165.05563	7.2
167.03502	5.3
177.05531	3.8
181.87064	0.6
182.99690	3.0
195.06546	0.6
239.05606	1.5
244.75113	0.5
285.09686	3.5
312.10895	3.7
329.06021	0.6
329.08926	6.2
330.12033	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	327.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67508	1.2
55.01873	4.6
57.03450	14.0
59.01381	87.6
59.66076	1.2
61.35256	1.3
61.98812	2.5
65.08494	1.3
65.18682	1.4
69.03450	2.4
69.54117	9.3
71.01014	2.2
71.01382	31.4
72.99288	4.9
73.02949	49.9
75.00886	2.7
81.03443	3.3
83.01394	13.2
83.37457	1.3
84.02178	2.1
85.02953	100.0
86.03304	2.0
87.00846	1.4
89.02446	7.3
99.00867	2.6
101.01797	2.5
101.02441	37.4
111.00877	4.7
113.02444	13.1
119.03505	2.7
119.05090	1.5
121.02938	5.7
123.04508	3.4
124.04011	2.3
124.96102	1.5
125.02467	8.1
129.01953	11.9
131.03490	5.7
135.04488	3.0
135.76990	1.3
143.03500	3.6
147.02974	13.6
147.04454	3.6
149.04576	3.7
150.03180	1.5
155.03540	1.3
161.04544	8.5
165.05560	2.8
187.18773	1.4
188.16452	1.5
191.01988	12.2
205.03569	9.3
238.10945	1.8
277.36679	1.4
327.08420	5.9
327.14450	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.3
57.03446	2.2
58.00595	1.8
59.01376	100.0
60.01718	1.7
61.98834	10.0
69.05833	1.6
71.01376	51.5
71.21833	2.8
71.32656	1.5
72.99308	2.1
73.02940	11.2
76.71318	1.8
83.01378	6.1
85.02950	19.5
87.00865	2.4
89.02439	42.6
95.01387	3.9
95.61240	1.5
99.00893	2.9
101.02440	41.2
105.05568	5.9
113.02458	21.1
116.57477	1.8
119.03491	15.6
125.02402	2.2
143.03464	4.6
159.02992	3.6
161.04579	27.8
165.07666	16.7
179.05615	9.8
180.75484	1.6
222.99597	1.6
235.60048	2.1
267.10834	82.0
268.11087	3.8
327.12885	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	327.1082
Annotation	Paeonoside
Peak:m/z	Relative Intensity
57.03448	0.9
59.01374	14.1
66.72778	0.4
69.54897	2.9
71.01380	1.8
72.99285	0.4
73.02953	0.8
83.01383	0.5
85.02944	6.7
93.03450	5.0
98.19883	0.5
100.23975	0.4
101.02425	0.8
111.00870	0.8
113.02437	0.7
113.31657	0.6
119.05021	2.2
120.05336	0.7
121.02957	0.9
121.06589	6.3
125.02447	0.5
129.01936	1.8
150.55650	0.5
161.04539	0.8
163.04027	0.9
164.04391	0.5
165.05556	100.0
166.05890	4.3
172.88530	0.5
205.03433	1.1
207.06686	0.5
287.29901	0.4
322.02396	0.4
327.10834	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	327.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68663	2.3
55.01906	2.2
57.03442	6.9
59.01379	51.8
61.14257	2.1
61.98840	13.2
68.17612	2.4
71.01379	79.5
71.01781	3.8
72.01769	2.3
72.99315	24.3
73.02959	8.6
75.00853	11.5
85.02950	27.7
87.00871	28.4
89.02445	24.9
101.02448	33.1
101.06107	2.1
105.01958	3.5
107.47913	2.1
109.02969	2.4
111.74269	2.1
113.02473	7.9
115.00373	20.3
117.01961	5.1
119.03512	8.5
123.04499	8.2
129.01945	50.7
133.02927	2.5
134.03793	3.6
135.03009	16.4
135.04523	58.3
136.01675	4.3
136.04887	2.9
143.03513	2.9
147.02997	100.0
147.06622	12.8
148.03363	4.0
149.02419	2.8
149.06061	5.9
150.03244	3.8
151.04001	8.1
153.05569	5.1
161.04567	7.3
165.04063	14.9
165.05461	5.3
165.07697	5.9
179.03499	11.5
179.05643	5.1
193.00800	2.1
197.04507	17.1
211.06032	6.6
237.03963	2.4
242.42604	2.1
265.09235	7.5
267.10779	31.8
327.09201	14.8
327.12988	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	327.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
58.00596	1.5
59.01377	45.0
71.01377	24.4
71.51495	1.0
71.51899	1.1
72.99315	1.5
73.02943	28.8
75.00871	12.0
79.63495	0.9
83.01357	1.5
85.02951	4.4
87.00874	21.9
89.02438	24.8
93.60013	1.0
95.01391	2.2
99.00887	3.6
101.02438	14.4
103.04009	1.3
105.01926	2.1
106.98945	1.2
107.41241	0.9
108.03198	1.2
109.59325	0.8
110.41036	0.9
113.02435	7.7
117.01940	1.5
119.03496	10.7
129.01958	1.9
131.03494	1.5
143.03448	1.6
147.03001	2.1
161.04588	1.3
179.05559	3.2
236.10516	1.0
240.94412	1.0
254.97443	0.9
327.09302	100.0
328.09702	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	327.0873
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
50.50907	0.6
50.91351	0.7
51.69852	0.6
59.01369	1.6
59.93602	0.6
60.24483	0.5
61.98831	1.4
64.33276	0.6
65.58085	0.6
65.64894	0.6
68.05962	0.6
69.45737	4.0
69.46130	0.8
71.01380	1.6
80.92410	0.6
84.30400	0.6
85.02937	2.6
93.03457	29.9
94.03767	0.8
96.99306	6.2
117.03441	2.5
119.05025	24.7
120.05383	1.3
121.02955	2.2
123.04522	2.8
124.01261	0.5
129.01939	1.5
130.04193	2.5
131.05064	6.0
132.05737	0.6
133.02957	5.8
137.02449	0.8
143.05029	22.0
144.05293	0.8
145.02927	3.8
145.06599	1.3
159.04538	0.9
163.04016	10.9
171.04494	2.0
210.06860	0.6
211.07619	7.6
212.07974	0.6
219.08115	0.8
221.09677	1.8
222.06708	0.7
223.07625	2.7
231.62489	0.6
235.07591	4.9
236.08195	0.6
237.09215	7.9
238.09447	0.7
247.07639	0.9
251.72350	0.7
263.07028	1.0
265.08691	23.5
266.08936	1.4
283.09824	2.1
309.07642	6.9
327.08710	100.0
328.09061	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	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.2
57.03439	11.6
59.01374	21.1
61.98822	2.2
64.58449	1.4
69.03453	3.0
69.89362	3.5
69.89777	5.4
71.01368	10.5
72.99302	32.4
73.02944	10.4
75.00859	6.8
76.06333	1.6
76.33495	1.5
77.88785	1.5
80.30724	1.4
81.03450	36.8
83.01383	5.4
84.02174	2.3
85.02945	82.7
86.03296	2.1
87.00850	3.8
89.02445	2.1
97.02960	1.8
99.00871	18.7
101.02467	8.2
111.00871	7.3
113.02463	8.7
115.00258	1.4
117.01939	3.8
121.02953	12.5
125.02442	94.9
126.02754	2.5
129.01936	12.8
131.03506	3.7
135.04488	4.4
143.03511	14.9
147.03017	7.9
149.05927	1.5
161.04558	9.5
169.01357	2.1
174.90424	1.4
191.01988	9.9
193.98468	1.5
201.80807	1.3
205.03514	100.0
206.03806	2.1
206.73514	1.7
239.91615	1.4
251.52428	1.9
256.03311	1.8
327.07788	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	325.2171
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
58.48405	0.5
59.01376	1.3
69.98296	1.1
69.98682	1.0
71.07781	0.4
73.70411	0.4
79.85793	0.4
79.95758	1.7
80.30844	0.4
85.02950	0.4
88.83613	0.4
101.02435	0.5
105.42323	0.4
119.05020	1.2
119.28660	0.4
147.08176	0.5
149.09724	53.7
150.10071	2.5
163.11290	60.1
164.11591	3.1
170.00410	0.7
183.01210	39.6
184.01961	7.3
197.02821	1.7
216.00967	4.2
225.05898	0.6
239.07463	0.5
304.08804	0.5
325.18390	100.0
325.21796	68.2
326.18683	9.8
326.22156	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
59.01382	13.8
63.38505	1.2
69.03447	3.6
71.01385	12.2
71.09126	2.2
71.29736	1.3
72.99309	28.6
73.02946	3.8
75.00868	8.1
81.03458	36.8
85.02949	6.7
87.00873	6.5
89.02446	8.0
97.02943	2.4
99.00876	17.3
101.02434	5.4
113.02470	6.5
117.00149	5.0
117.01896	4.1
117.74555	1.3
119.03485	1.9
120.99642	3.4
121.02953	9.2
122.03742	2.8
123.04523	3.2
125.02447	100.0
126.02747	3.4
129.01955	9.1
131.03508	2.3
135.02988	5.5
135.04500	8.8
143.03494	18.4
147.02966	8.9
149.06091	1.9
151.03990	2.4
159.02902	1.3
161.04530	9.2
165.04073	7.9
169.01483	1.3
179.03494	3.5
183.00513	1.5
193.05161	1.2
197.04515	2.9
205.01988	2.5
205.03514	69.1
206.03799	2.2
211.06226	1.9
267.08972	1.0
267.10889	9.0
327.09833	9.7
327.13022	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10327	1.2
57.03450	7.2
59.01381	9.3
61.53619	1.2
61.98816	2.5
67.04993	1.1
69.03448	4.7
69.67477	1.1
69.68189	6.9
71.01390	4.5
71.05018	8.8
71.56533	1.2
73.02956	3.0
80.02687	2.7
83.05024	4.2
84.02177	1.4
85.02949	1.2
85.06548	1.7
87.04496	2.5
90.26004	1.3
93.03458	1.5
96.96001	1.6
97.02956	4.6
97.06598	5.9
101.02439	2.9
101.77406	1.1
107.05048	2.2
109.06588	28.9
123.08125	1.7
125.06084	3.5
127.07623	2.4
148.74467	1.4
151.11290	1.9
153.12849	2.5
163.02496	2.4
169.12326	6.0
171.10320	1.9
177.12801	1.8
181.12369	4.8
183.13947	3.5
193.12326	3.1
195.13809	1.3
197.11839	46.6
198.12219	1.3
199.13414	4.0
201.11284	1.9
209.11914	2.4
211.13382	34.7
212.13754	2.5
227.12920	3.4
235.13440	5.8
237.14929	12.8
245.19127	2.0
249.14963	4.3
259.87051	1.3
267.15912	1.3
289.18106	11.6
306.63943	1.2
307.15955	1.3
307.19040	6.5
325.20193	100.0
326.20523	9.5
341.80289	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79241	0.9
57.03461	1.1
58.00586	4.2
59.01390	3.9
67.53475	0.8
70.86783	0.8
73.02950	1.6
73.10225	0.8
80.01380	0.8
80.06541	0.8
87.32201	0.7
91.21748	0.7
91.67730	0.9
95.05014	0.9
97.06621	2.5
98.20699	1.5
99.08176	0.9
113.06110	3.7
115.07678	4.5
127.07648	6.3
127.11308	0.8
137.09698	0.9
151.11279	7.9
153.12865	9.1
155.14455	2.8
163.11282	1.0
165.12888	2.0
171.10251	0.8
179.10736	0.8
181.12350	2.5
183.13902	2.9
191.10780	1.0
193.07237	1.1
197.11813	15.7
198.12140	0.9
199.13405	30.8
200.13802	1.8
209.11841	5.3
215.12825	8.8
227.12881	100.0
228.13196	6.0
229.14427	33.5
230.14798	2.0
245.19060	1.7
263.20007	1.8
289.18033	2.8
291.50943	0.8
297.20648	3.9
307.19156	14.6
308.19485	1.2
325.20352	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40995	0.7
57.03436	0.6
58.00586	0.8
59.01374	1.5
61.48874	0.8
69.26614	0.6
70.61137	1.4
70.61480	1.4
71.01375	3.4
80.02650	1.2
81.03448	1.2
83.05038	7.6
83.87144	0.6
84.02177	3.1
85.02928	1.4
87.17532	0.7
90.37923	0.6
95.04992	0.9
97.06597	1.3
97.16470	0.6
99.08133	2.0
109.06509	1.1
111.08156	1.0
115.07651	1.8
123.08226	1.0
125.09710	2.3
127.07654	9.4
135.08156	1.8
135.32428	0.7
139.07634	2.4
155.10780	2.0
163.11281	6.5
165.12868	2.8
171.10197	0.7
178.09996	1.5
185.11839	9.1
191.10681	1.3
197.11826	10.3
198.12273	1.0
207.10173	0.9
209.11813	100.0
210.12105	4.1
227.12822	5.5
238.12114	2.8
239.16403	0.7
245.18916	0.9
256.13104	1.6
263.20251	0.7
289.18085	3.9
307.19141	58.2
308.19489	5.3
325.20190	23.7
326.20554	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	325.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	22.6
57.48924	9.1
59.01371	100.0
60.93348	9.7
61.98815	16.3
69.03446	24.5
71.01369	17.4
73.02943	13.0
81.03460	17.1
83.01383	31.8
83.05013	19.9
85.02974	9.8
85.42980	9.7
89.02474	12.6
91.99757	9.8
92.36437	10.0
95.05030	23.7
97.02928	17.4
97.06609	45.8
98.20049	11.3
101.02428	22.5
106.04263	10.6
119.04998	9.7
123.04524	35.7
125.09727	71.6
137.09743	19.5
141.58524	10.0
142.58420	9.7
149.06116	12.8
163.07678	10.7
163.11261	36.8
165.12842	16.7
167.10805	50.9
171.10208	16.5
183.01147	11.4
185.11819	30.2
187.21886	10.2
191.10957	14.6
191.14339	14.3
193.07162	19.8
207.10258	24.8
209.11839	79.7
211.88161	10.8
224.04909	9.5
225.11243	20.1
245.19095	21.0
289.18091	19.9
325.11456	11.0
325.18329	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55257	0.7
58.00586	4.0
59.01375	2.0
69.03435	1.0
71.01376	0.9
73.02930	1.4
76.63369	0.7
83.05030	1.0
84.02194	0.8
95.05030	0.6
97.06590	2.0
98.19892	1.8
98.20613	2.6
109.06551	0.6
113.06020	0.7
115.07645	1.6
119.77893	0.6
127.07616	1.9
127.29777	0.6
130.08730	1.7
137.09700	0.7
151.11330	3.1
153.12854	2.9
155.14450	1.2
165.12769	1.8
169.12325	1.8
171.10254	0.8
171.13907	1.0
181.12357	2.4
183.13956	0.8
191.10834	0.9
197.11832	10.1
199.13394	31.5
200.13768	1.7
209.11800	5.3
215.12865	2.7
227.12886	100.0
228.13214	5.8
229.14406	10.4
245.19072	2.1
260.92145	0.6
263.20117	1.0
289.18076	3.1
297.20651	1.2
307.19128	12.5
308.19522	1.8
325.20279	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	325.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01710	1.1
61.98835	1.1
69.56834	3.0
71.01378	5.3
72.99300	1.3
73.02950	2.4
83.01379	1.8
85.02962	2.5
89.02452	1.4
95.01397	1.1
99.00870	0.7
101.02435	7.4
111.36968	0.6
113.02469	2.2
119.05022	78.8
120.05357	3.6
131.56194	0.5
135.04536	1.4
147.02957	0.8
161.04561	6.3
163.02563	5.5
163.03989	60.8
164.04333	2.4
177.00153	0.7
265.12900	11.7
315.56754	0.6
325.14325	1.1
326.08270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1298
Annotation	4-O-|A-D-Glucopyranosylmoranoline
Peak:m/z	Relative Intensity
50.46737	1.4
50.69583	1.4
55.76816	1.7
58.00583	2.3
59.01377	55.3
64.57518	1.3
70.70002	3.3
71.01380	39.9
85.02955	3.6
87.00863	1.5
89.02442	53.6
95.01395	2.2
101.02453	9.8
113.02459	10.1
119.03520	8.9
131.03525	3.0
142.05127	1.9
143.03496	3.1
144.06660	100.0
145.07060	3.2
161.04567	4.6
179.05600	15.5
199.97798	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
61.19818	0.4
71.26375	0.8
71.26713	0.5
73.27404	0.4
93.03395	0.6
101.02515	0.4
115.21890	0.4
119.05025	100.0
120.05349	3.7
155.41267	0.5
163.04007	82.2
164.04356	3.0
191.39305	0.4
277.02142	0.4
325.09177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1072
Annotation	Fortunolide B
Peak:m/z	Relative Intensity
50.11227	0.6
50.78717	0.6
56.09789	0.6
57.03441	0.7
59.01378	14.2
60.01722	0.9
61.01785	1.4
61.98829	3.4
67.37489	0.5
71.01376	2.9
71.52474	0.9
72.43760	0.7
72.99291	1.5
73.02944	1.7
79.95726	9.3
80.05134	0.6
80.96519	6.3
82.74805	0.6
83.01385	1.2
85.02945	1.2
87.76249	0.6
89.02448	1.3
99.04565	0.6
101.02444	4.7
106.98085	9.6
114.05594	1.6
115.05104	1.1
119.03625	1.0
119.05029	20.0
124.00740	47.3
129.01962	1.0
134.04733	0.8
135.04478	1.4
138.39664	0.6
145.01434	1.8
147.03024	0.6
161.04581	0.7
163.02484	7.8
163.04007	14.8
164.04285	0.6
166.01839	0.6
178.01794	4.7
181.07150	1.2
181.57103	0.5
195.04433	23.1
196.04823	0.7
205.03227	0.6
223.03909	14.3
223.06105	0.7
251.03413	1.1
265.12805	0.9
325.10739	100.0
326.11234	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	323.2226
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
55.21560	0.9
57.03444	4.6
59.01376	10.2
61.98801	1.4
70.83497	0.8
71.01376	1.5
71.05050	1.2
71.52649	1.4
83.05037	1.9
97.06574	1.9
101.02486	1.5
111.08152	1.2
115.33182	0.9
131.34592	0.9
165.12906	1.1
177.16492	1.3
193.15804	1.6
247.20656	63.5
248.21054	5.0
273.18533	9.3
290.31485	1.1
291.19650	100.0
292.19955	7.1
309.20685	2.7
323.16779	7.3
323.22272	41.0
323.25473	1.5
324.22580	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	323.2224
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
51.36906	0.8
55.19581	0.8
59.01384	8.5
63.64699	0.7
69.03470	0.9
70.03458	2.9
71.01382	1.5
113.02414	0.7
119.00517	0.7
120.65601	0.8
123.04552	1.1
137.06039	1.3
137.09711	0.8
150.63393	0.8
165.09167	1.2
165.12762	1.9
191.14433	0.8
194.41296	0.8
207.13957	0.8
209.15398	1.4
217.15974	1.1
235.13257	0.7
238.24454	0.7
261.22159	4.4
273.18588	1.2
291.19604	3.6
305.21204	100.0
306.21613	10.2
323.16501	1.2
323.22293	19.1
324.22537	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	323.1863
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03440	2.8
59.01116	1.9
59.01384	25.9
71.01371	3.1
76.37144	1.7
80.02670	3.7
81.03465	3.4
83.05016	3.3
85.92228	1.7
86.58933	2.0
91.05533	3.0
97.02937	4.8
97.05982	3.4
97.06594	57.8
98.06911	2.2
98.19841	4.0
106.04238	2.7
109.06592	42.1
110.03722	3.1
113.02512	1.7
117.07115	3.8
118.44258	1.9
119.05022	4.6
123.08145	4.6
125.09724	45.8
135.08157	23.1
138.07957	1.9
142.02737	2.0
142.14035	1.8
161.04793	2.1
161.06078	30.1
162.09534	1.7
163.11337	13.3
167.27139	1.6
171.10233	1.8
181.12350	6.4
185.11891	3.5
193.05092	2.1
207.10255	43.3
209.11880	2.6
225.11319	44.4
226.11880	3.2
243.17551	3.4
261.14807	4.2
261.18692	2.8
269.15442	3.3
277.18079	9.0
279.16003	56.4
280.16272	4.8
287.16510	23.4
288.16833	2.5
295.19315	1.7
305.17587	100.0
306.18039	8.8
323.18909	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82988	1.1
57.03436	1.8
58.00596	3.8
59.01380	96.6
68.43522	1.3
70.70103	3.4
71.01385	40.2
72.99306	3.2
73.02935	1.6
81.40219	1.5
85.02952	10.0
87.00900	2.8
89.02448	52.9
95.01405	2.6
98.20342	2.3
101.02445	30.5
108.38270	1.2
113.02444	16.4
119.03500	21.6
121.86564	1.3
128.75027	1.4
129.21915	1.2
131.03465	2.5
133.02992	2.1
142.99661	1.3
143.03448	2.3
149.04453	2.3
161.04565	2.3
179.05550	4.1
237.04791	1.3
258.85989	1.2
323.13467	100.0
324.13797	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	323.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
68.20323	0.6
69.57506	1.6
69.57917	2.5
79.95759	0.9
96.96012	100.0
98.20061	1.9
98.20647	1.0
102.45333	0.8
120.14526	0.7
149.00755	0.6
179.14427	2.4
195.13918	0.8
197.15459	6.9
205.05510	0.6
225.14946	10.9
226.15327	0.7
243.16002	32.4
244.16330	2.5
261.11685	2.6
277.11136	8.8
278.11484	0.9
284.57013	0.7
305.10052	0.9
323.11682	91.0
324.12048	6.3
338.55209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
56.41600	0.6
57.03439	2.5
59.01384	4.5
59.08464	0.5
66.07811	0.5
69.53137	2.9
69.53540	1.2
71.01373	1.9
72.99303	0.7
74.53836	0.6
79.95754	1.3
82.03045	0.6
85.02460	1.2
85.02950	17.3
85.03715	0.7
89.02454	0.6
90.02229	0.5
96.96009	76.2
97.02960	1.0
97.06579	1.5
100.56285	0.6
101.02432	3.2
105.03429	0.9
110.89855	0.5
127.64192	0.6
129.01950	9.0
132.02182	0.8
134.03743	4.4
145.06261	0.6
147.02997	7.7
149.02414	1.1
159.02965	1.0
160.01642	2.4
161.02391	0.9
161.04587	2.4
163.04025	0.7
167.14415	1.4
175.04012	3.4
177.04066	2.8
178.02655	0.8
179.14372	3.2
193.05064	5.5
194.05508	0.6
197.15453	13.1
225.14954	15.6
226.15375	0.9
243.15996	59.1
244.16408	3.5
261.11597	3.9
277.11075	7.7
287.46048	0.5
305.10629	2.9
323.11676	100.0
324.11935	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	323.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63842	0.3
55.88949	0.3
59.01379	2.2
61.63551	0.3
67.16900	0.3
69.29129	0.3
71.01370	0.4
85.02979	0.6
85.86042	0.3
93.03470	1.3
95.69489	0.3
96.96004	0.8
98.20679	0.8
104.34062	0.3
119.05025	100.0
120.05365	3.1
132.93146	0.3
137.56815	0.3
137.73808	0.3
137.94704	0.3
142.03645	0.3
147.03093	0.4
153.35609	0.3
194.06430	0.3
213.90776	0.3
323.11859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.8
59.01383	7.5
62.39692	0.6
71.01364	1.7
71.53807	0.7
71.76254	0.7
72.99310	0.9
75.58511	0.6
77.03987	0.7
79.95728	1.7
83.01398	0.7
85.02464	0.8
85.02953	12.7
85.13614	0.6
87.26154	0.6
89.02438	1.1
90.98597	1.1
96.96011	75.4
97.02970	0.6
98.95583	0.7
99.04462	0.6
101.02461	6.2
103.03970	0.6
105.03455	2.5
117.03475	2.0
121.02880	0.9
122.03727	1.2
129.01945	13.4
132.02182	5.0
133.02959	18.6
134.03799	5.2
143.03491	1.2
147.03008	8.0
149.02434	3.2
149.06033	0.7
159.02939	0.9
160.01639	6.7
160.06398	0.6
161.02444	56.7
161.04401	4.5
162.02786	1.6
167.14398	1.1
175.03951	2.5
177.01848	0.7
177.04050	2.0
179.05638	0.6
179.14409	3.2
179.84566	0.5
180.14804	0.6
181.25597	0.5
189.06633	1.5
191.11024	0.7
193.01369	2.0
193.05025	6.7
195.13878	0.7
197.15471	10.3
198.15778	0.9
206.08147	0.8
225.14957	15.6
243.16005	53.5
244.16248	2.6
261.09161	0.7
261.11591	5.2
274.99051	0.7
277.11139	8.0
305.10565	4.0
323.07700	18.8
323.11600	100.0
324.08008	1.5
324.11942	6.2
326.33853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92427	0.6
57.03448	1.2
58.47763	0.7
61.46340	0.7
66.10759	0.7
70.03130	2.6
79.06524	0.7
85.02949	29.6
85.03471	1.4
86.03348	0.7
89.03972	0.8
101.02439	20.6
101.03114	1.2
116.46429	0.6
117.03466	5.4
118.03051	0.6
129.01942	100.0
130.02264	1.9
134.03737	52.8
135.04053	1.9
137.02396	0.7
147.03003	8.7
149.06076	4.9
150.61758	0.7
153.85883	0.8
178.02698	4.4
193.05049	61.5
194.05411	3.6
278.59280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97108	0.6
56.18814	0.6
57.03445	4.3
59.01375	0.6
59.07996	0.7
64.72832	0.8
69.42234	2.8
69.42651	1.5
85.02952	17.9
89.03971	0.8
96.96014	1.6
101.02441	12.4
103.04025	6.8
103.86997	0.6
129.01944	78.2
130.02255	2.2
134.03746	16.1
135.04514	0.8
147.02994	100.0
148.03313	2.2
161.04532	1.5
165.39626	0.6
193.05055	11.5
201.18645	0.8
223.27496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99892	0.8
57.03449	4.5
71.02178	2.1
75.36618	0.8
75.80917	0.9
85.02947	13.1
101.02427	10.7
103.04001	8.2
120.65439	1.0
129.01941	71.4
134.03740	15.6
144.87437	0.9
147.02991	100.0
148.03316	2.5
193.05032	10.3
193.10919	0.9
215.18648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2023
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
52.50391	0.2
58.02985	1.7
59.01377	0.3
62.88155	0.2
75.25216	0.2
78.64685	0.2
81.03466	0.4
82.73805	0.2
88.53915	0.2
95.05027	0.7
97.06586	0.5
98.19874	0.4
98.20564	0.7
101.57484	0.2
109.06609	0.7
128.10811	6.8
130.08737	100.0
131.09090	2.6
165.12836	0.8
172.09756	0.3
185.03935	0.2
189.98438	0.2
203.80670	0.2
235.15292	0.2
261.26187	0.2
322.20212	35.7
323.20526	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	322.093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52430	1.0
58.02958	3.0
59.01375	11.6
60.01713	1.3
61.98817	1.5
62.16332	1.0
69.37229	3.5
69.37656	4.0
71.01368	2.3
85.02956	3.7
89.03964	2.3
96.96005	17.6
101.02422	2.1
102.05614	12.7
107.16888	1.1
110.06879	1.1
113.69185	1.1
114.02783	1.0
115.00318	1.1
117.03463	4.2
120.99679	1.2
121.23504	1.1
128.03535	28.4
129.01894	2.4
132.02148	1.8
133.02950	2.4
134.03737	100.0
135.04521	45.1
136.04858	1.6
137.08009	1.0
146.04584	48.1
147.04802	1.1
148.05339	1.8
149.06078	44.9
150.06421	1.7
160.01645	8.6
161.02441	6.4
161.04634	2.3
161.05994	1.2
162.03194	2.1
164.07140	1.7
172.02525	2.3
173.43352	1.2
175.03976	18.6
177.05534	2.9
192.06618	2.1
193.05063	26.9
193.06810	2.0
194.05444	1.6
197.15413	1.5
204.06583	2.2
206.08267	5.9
216.99692	1.0
218.08229	1.8
225.14912	3.1
232.09720	8.2
234.11285	3.1
243.16025	7.8
260.09238	1.4
277.11084	1.6
278.10272	5.2
290.06674	2.6
304.08234	17.0
305.08209	1.2
315.34479	1.0
322.09283	54.6
323.11896	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	322.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01378	5.4
61.98837	5.2
69.56184	3.7
69.56599	2.0
71.01375	1.4
78.03393	0.9
85.02956	15.3
96.96015	56.8
98.20631	1.7
101.02425	1.4
102.05610	41.3
103.05923	1.3
107.51662	0.8
115.32730	0.9
119.71162	0.7
128.03542	51.2
129.03897	1.0
132.02173	2.2
133.02957	2.0
134.03743	46.4
135.04604	4.1
145.07626	1.3
146.04596	100.0
147.03033	6.0
147.04926	2.3
148.05304	1.0
149.06079	24.6
150.06390	1.4
160.01660	12.7
161.02449	4.2
162.03137	1.1
163.04114	0.9
172.02510	1.7
175.03995	27.2
176.04407	1.1
179.14435	1.5
193.05066	17.8
197.15428	3.7
225.14987	6.5
232.09789	5.9
242.98228	0.8
243.16003	17.9
260.09180	1.2
261.11606	1.6
277.11154	4.8
278.10260	5.2
302.62225	0.8
304.08304	10.9
322.09314	35.7
323.11743	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85242	0.3
55.01879	1.4
57.03449	7.1
58.00615	0.4
59.01378	100.0
60.01714	0.8
61.52624	0.3
61.98812	0.3
69.63020	0.8
69.63439	1.3
71.01381	4.3
72.99310	1.0
74.70129	0.3
75.00861	0.5
77.59676	0.3
78.58623	0.3
79.03664	0.3
79.95730	1.7
83.01390	0.6
84.02168	1.3
85.02947	60.2
86.03289	0.8
87.00890	0.9
89.02442	4.2
95.95219	1.1
96.96010	2.1
101.02436	1.3
103.00370	1.1
113.02433	0.9
115.00411	0.4
117.56716	0.4
119.03490	1.6
129.01936	5.4
129.09221	3.6
143.03389	0.4
147.02975	5.3
161.04474	0.5
179.05589	0.5
191.01970	17.5
191.14743	0.3
192.02203	0.8
209.02992	1.5
303.10620	0.9
321.11481	2.5
321.15475	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51333	1.0
58.00605	2.3
59.01381	85.5
60.01693	1.2
71.01382	41.6
71.37337	1.4
72.99307	2.9
83.01398	2.3
85.02937	9.1
87.00857	1.3
89.02448	43.0
95.01371	2.7
101.02446	25.5
104.09605	0.9
104.15176	1.0
113.02457	18.1
119.03497	19.6
141.09216	5.8
143.03500	1.7
159.10255	1.7
179.05606	3.0
249.73917	1.0
282.08878	1.0
321.15552	100.0
321.47253	1.1
322.15848	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	321.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48964	0.5
55.01872	1.6
57.03449	13.1
58.00590	0.7
59.01377	21.6
71.01376	8.9
72.99311	1.6
73.02956	1.1
75.00842	1.0
79.93916	0.5
83.01392	1.9
84.02152	2.5
84.19404	0.5
85.02950	100.0
86.03288	1.9
87.00893	1.4
89.02441	6.2
95.01411	0.6
96.96032	3.6
101.02448	4.7
103.00367	1.7
110.41854	0.5
111.00903	0.4
113.02476	2.4
115.00354	0.5
119.03511	3.5
129.01939	6.5
129.09227	5.6
131.03571	0.6
141.09178	0.7
147.02991	8.4
159.03040	0.5
159.10179	0.7
173.00984	0.5
177.05569	0.5
191.01965	29.0
192.02292	1.0
209.03029	2.8
228.62109	0.5
303.10834	1.4
321.09488	0.9
321.11743	3.7
321.15366	11.8
322.15872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20036	0.5
55.01855	1.5
57.03447	13.6
59.01378	9.0
60.67722	0.6
69.83699	2.1
69.84106	0.9
71.01376	3.0
72.99318	1.7
73.02921	0.6
75.00856	1.3
83.01380	1.2
84.02172	2.1
85.02946	100.0
86.03275	2.0
87.00885	1.3
98.20633	1.0
101.02407	1.2
103.00381	1.9
103.82673	0.6
129.01936	9.0
129.09210	6.6
133.01442	0.6
147.02982	9.5
150.26241	0.5
173.00943	1.0
178.16524	0.6
180.27168	0.8
191.01964	38.1
192.02368	0.8
209.02975	3.2
216.80841	0.7
271.20746	0.6
279.14490	0.8
303.10794	1.3
310.48483	0.6
321.11932	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	321.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.7
57.03449	4.1
58.00585	0.9
59.01378	100.0
64.31318	0.7
69.03442	1.1
69.94931	3.3
71.01379	41.3
72.99307	1.8
73.02952	9.6
75.00871	1.2
78.69602	0.9
79.89407	0.8
83.01389	4.8
83.05016	1.0
84.53970	0.7
85.02949	22.0
87.00866	5.0
87.04505	1.1
89.02443	20.9
95.01390	4.1
96.96028	5.8
97.02943	1.6
97.06586	11.3
98.19991	1.3
99.00858	3.9
99.04516	18.6
101.02441	31.4
102.02791	1.1
104.55395	0.8
111.00880	14.7
111.04517	6.0
113.02443	19.3
113.85888	0.8
117.05575	3.1
119.03498	8.2
119.07135	2.2
123.04517	1.7
125.02436	0.8
129.01936	1.0
131.03499	1.3
141.01921	1.8
141.05598	3.8
143.03487	2.6
158.02208	1.2
159.02991	2.8
159.06599	1.3
161.04556	21.0
162.04877	1.0
171.01588	0.8
179.05612	3.6
213.07578	1.6
225.93636	0.8
231.08672	5.9
261.09802	19.8
262.10129	1.7
279.10828	45.7
280.11191	2.1
297.00558	0.8
303.11081	6.8
321.08234	5.2
321.11890	26.7
322.12112	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.7
57.03428	4.6
58.00582	3.0
59.01377	100.0
61.50631	1.8
69.18761	5.1
69.19178	10.5
71.01379	81.5
72.99302	3.0
73.02943	18.5
83.01376	6.5
83.05014	3.2
84.80682	1.8
85.02949	30.6
87.00854	3.8
89.02442	61.1
95.01373	7.3
97.06583	27.5
98.20605	3.4
99.00868	5.6
99.04525	5.1
101.01801	3.1
101.02441	49.8
111.04527	18.2
113.02447	35.2
117.05718	1.7
119.03494	29.2
123.04542	1.8
131.03506	3.7
141.05579	8.2
143.03479	6.9
149.04532	2.4
159.02966	4.8
161.03268	3.5
161.04552	61.0
162.04861	2.5
179.05602	17.5
213.42775	1.7
279.11017	3.0
303.10852	43.0
304.11142	5.1
321.11920	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	321.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.6
57.03431	4.7
57.48475	1.6
58.00579	3.6
58.02947	2.5
59.01378	100.0
59.81227	1.6
69.20850	6.7
69.21278	8.0
71.01380	87.0
71.94358	1.8
72.99300	3.3
73.02937	14.3
75.00858	2.0
83.01382	8.7
83.05029	3.8
85.02952	32.2
87.00871	14.1
88.04031	7.4
89.02446	55.2
95.01370	5.2
96.96005	2.7
97.02931	6.6
97.06577	28.2
98.20606	3.6
99.00891	9.7
99.04501	3.7
101.02438	48.4
101.06065	2.6
111.00932	2.1
111.04502	22.5
112.98725	3.9
113.01714	3.0
113.02448	38.0
114.01958	3.1
114.96744	1.7
115.00376	13.4
115.04032	1.8
119.03492	27.2
123.04485	2.0
125.02444	1.7
129.01950	4.9
130.05096	2.1
131.03497	2.5
132.03020	3.2
141.05533	7.5
142.05067	5.0
142.99826	7.0
143.03458	6.4
144.04564	13.8
147.02956	5.3
147.06599	4.9
149.06117	1.7
159.02963	7.5
159.06621	2.6
160.34612	1.8
161.04546	48.0
162.05495	2.0
173.00882	4.3
173.04541	4.6
174.04094	4.1
175.02470	3.5
179.05623	14.8
179.61937	1.7
187.05087	7.2
259.07169	5.3
261.09717	2.0
279.10687	3.6
303.06125	6.7
303.10831	39.3
321.07431	18.0
321.11786	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	321.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.0
57.03432	5.9
58.00586	3.5
59.01377	100.0
60.01744	1.5
65.21587	2.0
68.14765	1.4
71.01379	87.1
72.01698	1.6
72.99310	3.2
73.02950	15.2
75.00902	1.7
77.72719	1.5
83.01385	9.3
85.02944	27.8
87.00856	5.1
89.02438	61.1
90.02790	2.8
95.01386	7.1
96.96002	4.3
97.02935	1.6
97.06587	27.4
99.00889	6.3
99.04520	5.3
99.05134	1.5
101.02441	53.4
102.02795	1.5
111.04520	20.3
113.02435	34.5
113.03176	2.7
113.06108	2.3
119.03494	29.5
125.02450	1.9
131.03467	3.4
141.05550	6.3
143.03506	7.9
149.04556	2.8
159.02983	6.0
161.04552	58.4
165.54773	1.6
179.05624	15.7
261.09647	1.9
279.10831	2.1
303.10828	44.1
304.11166	4.1
321.12036	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	321.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05257	0.4
57.03459	0.5
58.00608	0.4
59.01379	13.9
59.95131	0.4
61.98830	0.5
64.31120	0.4
68.98158	0.3
71.01033	0.6
71.01385	3.4
73.02937	0.7
74.99113	0.6
79.95731	3.0
85.02945	1.2
87.00873	4.2
87.74836	0.3
89.02430	2.5
94.06757	0.4
95.95285	0.4
96.96011	100.0
97.06611	0.4
98.20655	1.2
99.04519	1.0
100.67982	0.4
101.02435	2.0
102.05603	1.2
113.02490	1.4
116.22500	0.4
119.03467	0.8
120.99644	2.3
127.07652	1.2
128.03542	1.7
129.01945	0.8
129.09021	0.3
133.76381	0.4
134.03749	1.8
139.07635	0.7
146.04559	3.7
149.06061	1.3
155.07106	1.1
159.03030	0.5
160.01610	0.4
161.04532	0.9
167.07118	0.6
175.04004	0.8
192.06462	0.5
193.05040	0.9
197.15477	0.5
205.03596	0.6
205.05385	6.2
219.07059	0.5
223.13361	0.9
241.14450	0.6
259.10178	1.7
275.09546	2.6
277.07227	0.4
277.11078	1.6
279.14392	1.1
303.09070	18.9
304.09125	0.9
321.10114	50.3
322.09964	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	320.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20684	0.4
56.15729	0.6
59.01380	3.6
71.05037	0.8
73.40558	0.4
77.10276	0.4
82.23711	0.5
85.02944	0.9
98.20676	1.0
102.12924	0.5
105.05885	0.6
106.49044	0.4
118.01965	0.4
119.07371	1.1
132.08160	0.5
134.09760	44.3
135.10077	1.6
148.11330	0.8
161.08418	1.2
172.11258	0.5
174.09248	0.5
175.10013	2.0
189.11601	0.5
190.12369	100.0
190.26372	0.5
191.12755	5.0
202.12491	0.6
214.15868	0.8
232.17093	2.0
258.14865	0.8
266.13647	0.5
276.16025	25.5
277.16440	1.5
292.69427	0.5
300.65237	0.5
302.13977	4.1
320.15018	19.4
321.15363	1.4
338.94818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62934	1.3
57.03444	1.6
59.01381	31.3
60.01708	2.6
61.98830	92.7
66.92853	1.4
70.03678	4.6
71.01380	10.3
71.17294	1.3
73.02937	2.9
78.55241	1.3
79.95813	1.5
84.48499	1.4
85.02953	7.0
86.03288	2.8
89.02464	6.7
92.09925	1.5
96.96001	23.8
98.20289	3.5
101.02448	5.7
103.03967	1.2
113.02450	3.9
116.96175	1.2
117.09222	1.3
119.03476	3.2
137.09688	2.3
159.02983	2.9
161.04529	2.5
165.12830	2.8
181.12326	2.8
183.13852	5.1
211.13396	5.5
257.13940	100.0
258.14258	6.1
279.14484	6.0
320.08804	3.2
320.14188	10.5
321.10028	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
58.00594	6.1
59.01379	17.1
61.68828	0.8
69.03458	1.3
70.53665	1.8
70.54035	1.7
71.01374	2.8
72.99288	1.4
73.02943	21.1
82.73103	0.8
83.05025	1.2
84.02157	1.7
85.02959	1.7
95.05005	1.2
96.22598	0.8
97.06595	2.3
105.12119	0.8
109.06635	0.8
109.11063	0.7
111.08148	0.7
125.06085	4.2
127.07659	1.2
127.11307	1.0
139.07660	2.8
151.07669	0.8
167.14397	1.4
191.77136	0.8
205.19641	1.3
207.60428	0.8
224.14250	0.9
250.15767	1.1
255.21184	2.1
259.20505	1.4
261.22208	2.1
263.23840	2.6
273.22208	9.8
291.23303	19.5
292.23706	2.2
301.21765	3.1
319.22766	100.0
320.23184	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	319.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55354	0.8
54.07268	0.6
57.03442	1.5
58.00590	6.0
59.01082	0.8
59.01379	15.3
69.03471	0.8
71.01379	2.9
71.87272	0.7
72.99323	1.2
73.02946	24.6
81.38748	0.6
83.05035	1.2
84.02203	0.8
85.02945	1.7
95.05025	1.1
97.06580	2.9
107.04996	0.9
110.68715	0.7
111.08134	2.0
113.06083	1.1
118.05219	0.6
125.06082	4.3
127.07635	0.8
127.11304	0.7
134.39284	0.6
139.07681	4.6
139.11308	0.8
153.12874	1.0
163.14853	0.8
167.12610	0.6
169.16022	0.6
197.15956	0.6
203.17975	0.7
205.19693	1.7
221.76990	0.7
229.02757	0.7
250.15770	1.2
255.21123	2.9
257.22610	1.4
259.20682	1.1
261.22061	3.4
263.23685	3.3
273.22244	13.1
274.22543	0.9
275.19952	0.8
275.23828	0.8
289.21808	1.6
291.23291	24.6
292.23871	1.3
299.31729	0.8
301.21713	3.2
319.22763	100.0
320.23096	8.2
327.31168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1395
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01869	1.5
57.03450	11.9
58.00585	3.6
59.01380	100.0
60.01695	1.2
63.92813	0.9
69.31767	6.4
69.32172	2.7
71.01380	42.9
72.99311	4.5
83.01409	3.3
85.02953	73.0
87.00900	1.8
89.02444	39.3
95.01392	3.0
96.54204	1.0
96.96039	5.4
97.35134	1.0
98.19836	2.3
100.25472	1.0
101.02444	26.3
103.00368	1.9
111.00885	2.4
113.02451	13.8
119.03500	18.8
127.07640	1.2
129.01973	3.5
131.03513	1.7
133.01431	1.3
143.03473	1.3
147.02979	6.1
157.08701	32.2
158.08997	1.6
161.04485	1.5
172.79407	1.1
179.05569	1.9
191.01973	15.3
193.39203	1.1
209.03040	10.8
247.07190	1.4
279.56207	1.0
319.13965	82.9
320.14346	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	319.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10917	0.6
55.01873	2.2
57.03448	6.7
58.00600	3.4
59.01380	79.1
61.98824	3.1
68.99828	0.8
71.01381	42.1
71.53520	0.9
72.99310	3.6
73.02947	3.3
79.95708	1.0
83.01377	3.9
84.02145	0.9
85.02950	41.2
86.03301	1.1
87.00887	3.2
89.02448	32.4
91.50272	0.7
91.94242	0.8
95.01386	2.6
96.96010	14.0
97.04128	0.7
98.20296	0.8
99.00903	1.1
101.02443	22.7
113.02450	14.5
119.03500	14.5
125.02466	1.2
129.01979	3.2
131.03555	0.7
133.01472	0.9
137.09810	0.6
139.07648	16.2
143.03519	0.9
147.03009	2.7
157.08688	11.2
161.04553	1.7
165.01909	0.7
165.36313	0.7
179.05527	1.2
191.01967	9.2
201.11391	1.6
203.12914	1.6
209.03024	8.0
210.24164	0.7
257.13931	3.4
301.12158	1.2
319.08569	5.5
319.13980	100.0
319.17316	4.7
320.14325	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	319.1397
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
51.01434	1.3
55.01881	2.3
57.03433	6.0
58.00585	3.5
59.01379	100.0
60.01702	1.9
61.11495	1.1
61.98832	16.2
63.57049	1.1
63.92983	1.2
69.03454	1.7
69.35333	8.2
71.01382	59.8
72.88057	1.0
72.99303	4.3
73.02920	1.3
76.36676	1.2
83.01376	3.3
85.02950	42.8
87.00887	2.3
89.02444	58.3
95.01376	2.1
96.96010	28.1
99.00903	1.8
101.01794	2.4
101.02444	36.7
108.49092	1.2
113.02448	25.6
119.03493	22.9
120.94271	1.2
129.01964	1.8
131.03543	3.3
132.57217	1.1
139.07640	20.0
143.03477	2.9
144.93527	1.3
147.03003	1.8
157.08693	7.1
161.04518	2.1
179.05595	3.4
191.01941	9.2
191.66930	1.2
209.03020	4.8
211.13414	1.9
227.18575	1.2
249.44815	1.1
257.13901	21.1
275.10355	1.4
319.08560	5.7
319.13959	91.5
320.14355	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	319.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19851	0.8
55.01883	2.3
55.81426	0.8
57.03450	1.4
58.00594	4.0
59.01377	100.0
66.80706	0.7
66.81158	0.7
67.01895	1.3
71.01382	65.2
71.52335	1.1
72.01729	0.9
72.99290	4.2
73.02964	3.0
83.01392	2.7
83.05023	13.1
85.02951	11.9
87.00878	4.3
89.02443	78.9
90.02762	1.2
95.01405	4.2
95.05016	6.1
96.96019	3.4
99.00883	2.3
101.02444	32.3
101.03107	1.6
107.05038	2.2
109.02976	3.2
111.00901	0.8
111.04559	2.5
113.02451	27.6
113.06093	3.2
119.03500	28.0
120.99706	1.1
125.02485	1.5
127.04009	13.0
127.04872	1.0
131.03563	2.9
138.05663	0.9
139.00327	1.0
139.04007	11.4
140.07179	2.9
143.03471	5.3
149.04546	2.3
151.04028	5.7
157.05110	3.4
161.04543	10.2
179.05609	11.9
181.05043	1.0
182.08269	1.6
208.99744	0.9
243.39110	0.8
319.10385	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	319.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19851	0.8
55.01883	2.3
55.81426	0.8
57.03450	1.4
58.00594	4.0
59.01377	100.0
66.80706	0.7
66.81158	0.7
67.01895	1.3
71.01382	65.2
71.52335	1.1
72.01729	0.9
72.99290	4.2
73.02964	3.0
83.01392	2.7
83.05023	13.1
85.02951	11.9
87.00878	4.3
89.02443	78.9
90.02762	1.2
95.01405	4.2
95.05016	6.1
96.96019	3.4
99.00883	2.3
101.02444	32.3
101.03107	1.6
107.05038	2.2
109.02976	3.2
111.00901	0.8
111.04559	2.5
113.02451	27.6
113.06093	3.2
119.03500	28.0
120.99706	1.1
125.02485	1.5
127.04009	13.0
127.04872	1.0
131.03563	2.9
138.05663	0.9
139.00327	1.0
139.04007	11.4
140.07179	2.9
143.03471	5.3
149.04546	2.3
151.04028	5.7
157.05110	3.4
161.04543	10.2
179.05609	11.9
181.05043	1.0
182.08269	1.6
208.99744	0.9
243.39110	0.8
319.10385	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	318.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30987	0.7
57.03452	3.1
59.01376	3.9
61.98832	100.0
64.16301	0.7
67.77797	0.7
69.55339	4.9
71.01389	1.0
81.78713	0.7
85.02960	3.0
96.96024	3.5
98.19927	1.5
98.20549	1.8
101.02454	1.1
103.07341	0.6
106.45693	0.7
109.06631	1.4
133.23735	0.7
135.08220	0.8
137.09749	2.0
138.06857	4.2
153.09210	12.2
153.61597	0.8
158.38518	0.7
165.12796	0.9
175.11307	0.8
181.12335	1.7
183.13947	2.8
193.12383	2.1
211.13342	7.3
213.11996	0.8
229.05051	1.0
255.12369	28.9
256.12906	1.3
259.36676	0.7
309.65924	0.9
319.08624	1.5
319.14145	0.9
328.84308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31069	0.9
59.01377	5.7
64.79985	1.0
68.99572	67.9
71.01369	3.5
71.52221	1.2
85.02950	1.0
87.00863	1.1
89.02435	3.1
89.85518	1.2
96.96019	1.1
99.00883	1.4
101.02409	1.9
111.00865	1.6
112.98569	100.0
113.02462	2.3
113.98871	1.7
119.03473	1.4
139.00316	1.2
151.22610	1.0
152.40608	1.1
173.69328	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06254	0.7
57.03450	4.3
57.11819	0.6
59.01381	7.9
59.97204	0.7
61.98831	100.0
69.03464	0.9
69.46667	4.2
69.47082	1.8
71.01385	2.4
84.70125	0.7
85.02953	5.8
89.02479	1.3
96.96017	5.3
97.06612	0.8
98.20220	2.9
101.02401	0.9
102.50434	0.6
109.24694	0.8
109.72175	0.8
110.02551	0.7
113.02520	1.1
115.60486	0.8
119.85092	0.7
120.99627	0.8
123.08162	1.0
124.01656	0.7
129.70207	0.8
135.04506	0.9
137.09714	3.9
138.11404	0.7
138.33958	0.7
139.00322	1.3
140.03502	0.7
153.12901	1.1
154.01534	1.4
157.08762	1.3
163.11324	1.6
165.12869	1.3
181.12321	4.2
183.13895	5.3
191.02118	1.1
211.13412	11.0
255.12384	36.4
256.12625	1.8
271.10071	0.8
319.08588	1.2
319.13995	2.0
319.17557	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
57.27686	0.6
59.01374	11.0
60.15502	0.6
61.36211	0.6
66.54273	0.6
71.01374	4.5
71.05024	3.5
71.05372	0.6
71.54270	0.8
73.02937	0.9
79.95728	2.8
81.60692	0.7
83.05032	1.9
85.02934	1.3
89.02454	1.7
91.04022	3.4
96.96021	3.5
97.02953	2.9
97.06580	1.6
99.00877	13.6
99.01519	0.8
100.00449	0.8
101.02442	1.2
109.06571	0.9
110.03743	0.7
120.99706	1.0
121.02937	2.2
123.08199	1.1
125.09724	6.7
127.11282	3.6
136.05269	0.8
136.26308	0.7
151.76207	0.7
153.12849	1.1
155.14427	1.1
163.11296	7.7
179.24040	0.7
181.12349	16.1
181.13960	1.0
182.12794	0.9
197.11768	3.7
199.13390	71.5
200.13684	3.8
207.10248	24.4
208.10559	1.4
225.11308	71.1
226.11630	3.8
234.65100	0.7
243.12354	32.3
244.12677	2.1
273.12427	1.2
274.10849	0.9
299.10281	2.2
299.15128	1.8
302.11554	0.8
317.16071	100.0
317.19406	5.0
318.16452	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	317.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
58.00617	0.9
59.01374	11.1
60.97679	0.8
63.62917	0.7
66.48291	0.7
71.01385	4.3
71.05021	2.7
71.54490	1.5
72.37313	0.8
73.02924	1.1
74.02489	0.9
79.95737	1.8
82.17692	0.9
83.05014	1.0
85.02944	1.1
89.02451	1.3
91.03999	3.9
96.96020	3.8
97.02978	1.6
97.06585	1.9
99.00880	15.2
100.00404	0.8
109.06592	1.8
111.00870	1.1
113.14809	0.7
120.99639	1.8
121.02966	1.4
125.09715	5.7
127.11292	2.4
142.02725	1.1
151.11279	1.0
153.12854	1.6
155.14412	1.2
163.11279	5.8
169.00241	0.8
181.12334	16.5
182.12672	1.2
193.62131	0.7
193.79785	0.8
196.95819	0.8
197.11900	2.3
199.13388	70.3
200.13763	3.1
207.10257	25.8
208.10594	2.0
225.11311	75.9
226.11592	4.0
241.00041	0.8
243.12352	35.1
244.12727	1.8
299.10373	1.7
299.15027	2.3
302.07330	0.8
317.16064	100.0
317.19452	6.0
318.16455	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	317.0664
Annotation	Nanaomycin E
Peak:m/z	Relative Intensity
59.01358	0.9
66.07013	0.8
67.01901	0.9
69.16255	4.1
69.16684	4.1
72.02489	0.9
72.99015	0.7
72.99310	7.9
95.09310	0.9
95.48438	0.9
159.04507	3.0
167.04990	6.3
167.08548	1.1
181.06596	13.9
183.08174	1.2
193.06564	17.3
194.06900	1.1
199.07620	6.7
209.06065	3.3
211.04015	10.9
211.07635	25.9
212.07892	1.9
225.05594	2.7
227.07092	2.7
237.05545	17.6
243.06607	2.3
255.06606	25.1
256.07089	1.0
271.06113	38.5
272.06461	2.5
273.07718	3.1
281.04523	15.7
282.04974	1.7
299.05594	47.4
300.05908	2.9
317.06641	100.0
317.19528	1.9
318.06900	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	317.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61134	1.1
55.88082	0.9
57.03426	2.7
59.01378	79.2
67.93620	1.0
69.40662	2.9
69.41083	4.0
71.01377	16.8
73.02942	3.9
74.02459	1.1
81.07078	1.0
81.09413	1.0
82.27027	0.9
85.02946	14.1
87.00926	0.9
89.02410	1.7
96.96001	1.2
98.20623	1.7
99.04511	1.4
101.02423	3.0
108.02169	1.1
115.00368	13.9
120.99654	3.1
123.08157	6.6
125.89326	0.9
129.01939	2.0
133.01419	4.5
136.07671	2.2
141.09218	1.8
147.02957	1.6
191.01883	2.5
195.10260	1.6
201.11313	100.0
202.11661	4.9
209.03024	0.9
272.06717	1.1
273.13037	3.3
287.09161	2.9
317.06973	1.4
317.10706	3.9
317.15750	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	317.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66710	0.5
59.01369	0.6
63.96246	0.5
70.50594	1.7
71.01377	4.7
73.02953	0.6
78.98599	3.8
79.95731	5.2
80.96519	42.3
81.03467	0.5
85.02947	1.6
87.00890	1.4
94.98087	10.6
96.96006	0.6
97.02956	1.4
101.02439	1.8
106.98094	2.0
108.59537	0.5
122.97577	1.6
125.02448	2.2
134.97612	3.6
136.99113	0.9
148.99161	4.6
152.98618	4.6
160.06398	0.5
164.98605	8.6
199.98721	0.6
202.00366	1.9
206.99678	1.9
225.00745	11.9
290.40051	0.5
317.05472	100.0
318.05817	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	316.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23699	0.8
59.01385	1.9
61.98830	100.0
63.96222	1.1
71.01376	2.5
85.02952	1.5
85.23637	0.9
87.56317	0.7
89.02431	1.0
97.02908	1.5
98.20107	5.0
105.07108	1.1
108.05808	1.0
113.06095	1.7
123.08202	0.9
125.06077	1.9
129.01978	1.1
135.98326	1.4
137.06013	0.8
138.06854	6.8
139.05161	0.9
139.07689	4.2
147.02837	0.8
147.08188	1.0
149.09726	1.7
151.07640	11.5
152.04822	1.8
152.08379	2.7
153.09225	14.4
165.02669	0.9
168.03891	1.1
173.09721	2.1
191.10797	8.9
196.16890	0.8
253.10799	30.7
254.11119	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97105	0.7
51.47249	0.7
52.74372	0.7
53.03687	0.7
54.46696	0.6
56.56918	0.6
57.03463	0.8
58.02977	1.9
59.01389	4.3
61.98832	100.0
69.03461	1.1
71.01382	2.7
71.53230	1.2
74.02470	3.4
74.78290	0.7
75.18920	0.7
85.02940	1.3
88.76788	0.7
89.02445	0.8
97.02988	2.5
98.20130	0.7
99.18014	0.7
101.02484	1.7
108.05805	1.1
109.06616	1.2
113.02454	1.0
113.06099	1.0
117.23294	0.7
118.98074	0.8
120.87189	0.8
120.99635	1.4
122.03757	1.3
123.04573	1.2
123.08180	2.4
124.59599	0.7
125.06131	0.9
129.02016	1.1
135.98402	1.8
136.05278	0.9
136.79866	0.7
137.06102	1.2
138.06834	6.4
139.05145	2.0
139.07658	5.1
143.11896	2.5
147.08252	0.7
149.06200	0.8
149.09782	1.9
151.07651	12.5
152.04790	1.2
152.07214	1.6
152.08440	3.5
153.00703	1.1
153.09219	15.3
161.93861	0.8
167.03557	1.8
168.03868	2.7
173.09634	1.4
174.10010	0.7
176.29643	0.7
187.10855	1.1
191.10812	9.4
200.14085	3.0
201.11453	0.9
209.11797	0.9
245.34116	0.8
253.10808	30.5
254.11208	1.8
257.13962	1.3
286.14050	6.6
298.14218	0.9
316.08078	0.9
316.14978	3.4
317.07184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.9
59.01380	3.7
61.98829	49.3
65.00319	1.6
69.03435	0.8
70.02946	0.8
71.01370	3.1
71.53187	1.0
72.99281	1.2
75.00850	2.8
76.01192	0.8
83.01431	0.8
84.83514	0.8
85.02949	7.4
86.03269	2.7
87.03421	1.1
91.01889	9.3
92.02235	6.5
96.01176	0.7
97.02988	1.3
98.20392	0.9
101.02425	1.5
108.02168	3.3
109.02505	2.8
111.00844	1.7
113.02389	1.0
118.30180	0.8
120.99621	1.1
123.03625	1.8
123.04520	29.5
123.08154	0.9
124.04852	31.4
125.04940	0.7
125.06104	0.9
129.01932	2.4
132.04512	1.2
135.98334	1.8
136.03970	0.9
138.06857	3.7
139.05142	1.8
139.07643	2.3
147.02980	5.2
148.03313	1.8
151.07674	5.2
151.08632	0.9
152.01086	3.1
152.08412	1.3
153.01495	3.9
153.09190	7.7
155.23457	0.9
165.04021	3.9
166.04427	2.9
167.03490	67.5
168.03828	100.0
169.03995	5.3
169.07710	1.8
183.04025	1.9
187.10692	0.9
191.10849	3.7
193.02342	1.2
200.14029	1.1
253.10815	14.1
286.13940	1.5
316.07437	14.5
316.14081	0.8
317.07913	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
61.98815	0.2
65.99842	0.4
68.99792	0.2
69.72509	0.4
69.72924	0.4
85.02943	0.6
95.01419	0.2
96.95993	0.2
98.19981	0.2
98.57800	0.1
99.76420	0.2
108.02133	0.2
109.01693	0.1
110.69041	0.2
110.89420	0.1
113.61066	0.1
114.93149	0.2
120.99612	0.2
123.00888	1.9
124.01661	6.0
125.01992	0.2
130.08751	0.2
137.75089	0.2
138.11913	0.1
139.98431	0.3
140.03520	0.2
153.00661	0.3
154.01460	100.0
155.01826	2.9
173.02896	0.2
201.11310	0.7
270.09979	0.2
299.08463	0.2
316.06668	4.5
317.06842	0.3
317.10217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03255	0.3
57.80637	0.4
59.01364	1.4
61.98808	0.3
65.01656	0.3
69.35591	2.9
70.22168	0.3
71.01393	0.4
79.95705	0.5
80.96510	0.3
85.02954	0.6
96.96021	0.8
108.02178	1.1
109.02946	0.9
109.80376	0.4
120.99649	100.0
121.99992	1.4
139.05852	0.7
149.09712	1.1
152.01134	0.7
162.72659	0.4
183.08519	0.4
193.08716	0.4
213.05560	0.4
227.07411	1.2
241.05078	1.2
259.90167	0.4
283.06421	0.4
300.02823	0.4
300.06406	0.6
315.05740	0.9
315.08969	5.9
315.14688	0.6
315.18143	1.3
316.09094	0.4
316.17877	0.4
330.84430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94464	0.2
59.01363	1.0
62.05271	0.3
71.04983	0.2
71.54575	0.3
71.75340	0.2
73.02940	0.4
73.24664	0.3
85.02957	0.3
87.00864	0.3
91.12341	0.3
95.68117	0.3
96.96018	0.7
101.02424	0.4
107.64188	0.3
108.02158	0.7
109.02959	0.5
113.02444	0.4
120.99652	100.0
121.99989	0.9
135.04489	0.3
139.05919	0.3
147.08458	0.4
149.09758	1.5
152.01118	0.7
153.01938	0.4
177.19003	0.3
183.08513	0.5
207.86035	0.3
213.05653	0.3
227.07431	1.2
241.05023	0.6
315.05698	0.6
315.08990	3.9
315.14502	0.7
315.18121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
69.47846	3.5
71.01385	2.1
73.02978	0.7
85.02950	2.5
95.01408	1.1
96.45323	0.5
101.02390	1.2
108.02172	100.0
109.02972	31.5
113.02439	1.0
121.02929	0.6
123.00851	0.8
123.04527	1.0
125.02461	0.6
133.02945	0.9
136.97176	0.6
151.04021	1.8
152.01149	64.0
153.01945	27.4
165.01938	1.6
190.51752	0.6
200.13243	0.7
224.64116	0.6
315.07205	87.2
316.07571	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
55.01871	0.9
70.66392	1.9
71.01385	2.0
73.02950	1.1
79.18155	0.6
81.03494	1.3
81.35424	0.7
85.02965	3.4
93.03461	0.8
95.01395	1.6
101.02457	1.5
108.02170	100.0
109.02966	34.6
110.03294	1.0
123.00911	0.6
123.04530	4.1
135.00952	0.9
151.03987	1.4
152.01147	66.4
153.01936	28.9
153.05586	2.5
154.02274	1.0
163.04028	1.5
165.01910	1.7
167.03510	2.8
202.41331	0.6
315.07211	82.0
316.07578	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	315.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68121	0.6
59.01370	2.0
60.28708	0.6
62.40815	0.6
69.42802	1.0
69.43212	3.5
71.01370	2.4
75.00851	0.8
85.02982	1.0
87.00835	0.6
88.03954	0.7
89.02448	1.1
96.95979	0.9
101.02434	1.0
108.02180	1.7
109.02932	1.3
109.03656	0.6
120.99650	100.0
121.53222	0.6
122.00025	1.5
123.04526	1.3
130.08693	1.1
133.26793	0.6
134.03738	23.6
135.04160	0.7
143.11890	1.1
146.86925	0.6
149.06065	19.6
152.01093	0.7
153.05605	1.4
167.03458	1.8
193.05016	5.3
197.04602	1.3
227.07828	0.8
271.10864	1.6
311.36801	0.6
315.07550	1.4
315.14706	1.4
316.69870	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83678	0.9
55.01863	1.4
57.03443	6.9
58.03799	2.4
59.01377	7.6
60.01709	1.0
61.98827	100.0
71.01369	4.6
71.52439	1.3
72.99277	1.5
73.02912	1.2
74.03269	1.1
75.00846	1.8
83.01404	1.0
84.01694	1.3
85.02948	47.2
85.03470	2.4
86.03287	17.4
87.03355	1.3
89.02438	1.7
95.01344	1.2
96.96013	1.8
101.02412	1.8
101.71579	0.9
107.05006	1.1
108.02169	77.2
109.02952	24.4
113.02402	1.9
120.99606	2.4
121.02953	3.9
122.03237	1.2
123.04526	8.3
129.01924	4.3
130.02162	1.3
134.03661	1.3
135.00929	1.5
135.04520	1.7
145.53357	0.9
147.02988	5.1
148.03300	3.6
151.03970	1.9
152.01146	52.6
153.01938	21.4
153.05568	9.5
163.04030	1.6
167.03511	10.8
180.52515	1.0
191.01990	5.6
192.02328	5.1
193.02383	1.1
226.03893	3.6
280.79291	1.1
315.07202	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2383
Annotation	9,10-DiHOME
Peak:m/z	Relative Intensity
51.18529	0.8
57.03461	0.8
58.00585	1.7
59.01380	1.5
59.41323	0.7
61.98826	1.5
83.05064	0.6
85.02954	2.6
91.08147	0.8
125.09711	5.1
127.11297	8.3
137.09697	1.3
139.11298	1.5
153.20607	0.6
155.10768	4.0
165.09180	3.8
171.10280	9.1
173.73647	0.7
183.10229	1.4
184.90582	0.7
199.09729	2.7
201.11319	51.6
202.11647	3.0
253.09219	1.2
277.21747	5.8
278.22229	0.8
295.22845	3.8
296.23343	0.7
313.23840	100.0
314.24231	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	313.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74650	0.5
52.77425	0.4
55.01878	3.0
57.03450	15.5
59.01384	8.4
68.48625	0.5
68.99818	0.7
69.78992	1.7
69.79410	1.0
71.01389	3.5
71.01719	0.6
72.99312	2.2
75.00859	1.4
77.54861	0.5
83.01404	1.3
84.02167	2.7
85.02952	100.0
86.03279	1.3
86.66792	0.5
87.00879	1.6
98.20650	0.7
101.02446	1.1
103.00372	0.9
108.02176	1.2
109.02953	0.9
111.00904	0.8
115.00336	0.6
121.02963	8.7
129.01945	6.3
147.03012	10.8
151.04008	0.9
163.02531	0.7
166.71057	0.4
173.00909	0.8
180.70657	0.5
189.05579	0.6
191.00264	1.2
191.01974	15.6
202.94768	0.5
252.79053	0.5
258.91928	0.5
313.05630	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03438	1.3
58.00595	5.5
59.01377	6.8
60.60749	0.5
66.99426	0.5
71.01353	0.7
73.02936	1.3
121.10202	1.6
125.09721	5.5
127.07644	2.8
127.11298	9.5
137.09689	2.0
139.11296	1.8
145.89253	0.6
153.09183	0.6
155.10791	3.7
157.12315	0.9
165.09174	3.1
171.10257	10.1
183.10249	1.8
183.13872	7.2
184.14278	0.6
199.09705	3.3
201.11317	64.3
202.11612	3.4
213.14980	2.6
218.42728	0.6
223.13448	0.7
241.14423	2.3
245.41066	0.5
275.20059	4.9
293.21243	7.4
311.22263	100.0
312.22617	8.1
326.00150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	0.7
53.12283	0.6
55.01870	3.3
57.03447	12.2
58.00600	0.6
59.01380	6.7
67.59201	0.5
68.99827	0.9
69.94769	2.8
71.01376	4.4
72.99303	3.7
73.02930	1.6
74.13551	0.6
75.00870	3.2
83.01379	3.8
84.02158	2.6
85.02948	100.0
86.03262	1.5
87.00892	1.0
89.02485	0.7
101.02430	1.2
103.00380	2.4
111.00879	5.0
115.00400	1.6
121.02954	6.7
129.01949	8.8
129.92719	0.6
147.02985	15.8
173.00833	1.3
191.01979	19.0
193.38625	0.7
295.04623	0.7
313.05582	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	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03433	1.7
59.01374	9.2
61.98825	1.5
68.80259	0.5
71.01374	0.9
101.02432	0.9
146.91536	0.5
151.07991	0.5
161.04501	1.1
162.85588	0.5
178.53079	0.5
183.01186	4.9
185.60522	0.5
188.50058	0.5
197.02817	3.9
212.22162	0.6
225.05611	0.6
228.98453	0.7
249.22217	49.0
250.22614	3.9
251.11281	1.3
267.23196	1.8
293.21216	23.0
294.21552	1.6
311.17026	14.2
311.22250	100.0
312.17282	1.3
312.22571	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	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.64085	0.7
57.03440	1.2
59.01381	11.2
61.51777	0.7
61.98814	1.2
70.84538	1.2
71.01371	1.2
71.29680	0.7
83.05019	1.4
88.90318	0.7
91.89957	0.7
94.05549	0.7
97.06601	0.7
98.20335	0.9
99.08159	3.4
111.08131	0.9
113.09728	2.8
123.97027	0.7
129.09227	8.1
139.11301	1.4
140.17509	0.8
148.05327	0.9
151.11295	1.2
153.12881	0.9
155.10814	0.8
162.73001	0.7
164.54587	0.6
167.10779	1.0
169.12314	2.9
171.10277	8.8
181.12337	5.5
183.01274	1.1
183.13885	2.4
185.11842	1.2
193.12282	1.9
197.11847	9.7
199.13393	5.9
201.11258	1.4
205.41948	0.8
211.11513	1.3
211.13403	20.7
212.13718	0.9
226.57195	0.7
251.11334	1.8
265.21738	1.0
275.20166	2.0
293.21222	15.5
294.21594	1.1
311.22260	100.0
312.22607	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	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
53.78831	0.7
57.03429	1.7
59.01379	8.5
61.98801	0.7
69.03443	0.8
70.37518	3.1
71.01380	1.1
73.82426	0.8
83.05009	1.4
97.06609	0.8
99.08142	2.7
108.17336	0.8
111.18182	0.9
113.09714	2.7
118.42584	0.9
121.10256	0.8
129.09250	5.0
139.11259	3.0
151.11267	1.0
161.04584	1.0
163.11317	1.2
165.12820	1.5
167.10744	0.8
167.14435	1.0
169.12355	2.2
171.10284	6.7
181.12331	4.6
183.13908	2.5
193.12302	3.4
197.11826	10.1
199.13445	4.8
211.13391	19.3
249.22253	1.2
251.11356	1.9
270.56155	0.8
293.21265	22.3
294.21628	1.2
311.22263	100.0
312.22568	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
56.66986	3.3
57.03444	21.8
59.01382	28.7
61.98836	7.5
65.99837	3.3
69.03439	4.2
69.98458	12.5
70.50096	2.9
71.01390	18.5
83.05025	6.5
85.02957	4.1
87.64936	3.2
96.96005	5.6
97.06619	4.3
98.20036	3.9
101.02502	5.8
111.08144	10.3
113.09721	14.4
129.01923	7.8
147.02965	14.6
149.09648	4.8
151.03989	8.0
151.07620	14.0
151.11285	35.8
152.08400	11.4
163.11206	5.2
165.12827	35.7
179.10745	12.9
181.12338	42.2
184.54893	3.2
191.10767	14.5
197.11844	11.2
209.11823	100.0
209.15280	19.6
211.13342	8.1
247.20642	12.2
252.09923	3.4
263.20142	9.5
265.18054	4.6
265.21643	9.2
281.21176	6.0
291.19647	28.0
309.14911	11.7
309.17078	31.3
309.20697	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80840	1.0
51.42431	1.0
57.35805	0.9
57.60609	1.1
59.01380	2.1
69.03445	4.6
69.14674	1.2
69.15363	11.3
73.89072	1.0
76.36510	1.0
80.02661	1.4
83.05038	2.3
97.02950	30.5
97.06603	1.7
99.00918	2.1
106.23688	1.1
119.08631	2.5
121.10248	1.4
122.90830	1.2
123.04464	1.5
125.09706	4.1
137.09731	4.6
163.11270	4.9
165.09113	1.6
165.12859	9.0
166.00510	1.3
166.09943	1.3
171.10281	11.3
181.12337	2.9
183.13908	2.5
185.11882	1.5
193.12277	2.5
193.16000	2.2
199.86369	1.3
209.11815	4.3
211.13367	4.1
223.13385	1.4
227.12920	7.0
247.20644	10.4
273.18591	4.1
280.57034	1.2
291.19666	100.0
292.20044	7.9
309.20715	58.3
310.21042	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	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.2
60.01669	0.2
61.98827	0.3
66.04105	0.2
69.53788	1.6
71.01376	0.8
73.02948	0.7
75.00882	0.5
80.62888	0.2
82.91094	0.2
83.90250	0.2
85.02920	0.3
90.03608	0.2
90.50805	0.2
95.04048	0.2
96.96017	0.4
98.95609	0.3
101.02376	0.5
106.04225	0.4
107.05026	100.0
108.05361	3.1
123.04522	0.4
158.96571	0.2
192.04126	0.3
200.11761	0.2
203.05649	0.3
311.07611	1.3
311.11206	0.3
311.14966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.05439	2.0
51.49075	2.0
57.03466	2.6
59.01376	15.1
61.98831	2.6
67.10867	1.9
69.31974	11.5
69.32394	4.7
71.01377	2.8
71.05029	2.9
72.85486	1.9
74.01179	2.0
78.91269	2.3
90.06948	2.0
96.96021	4.1
97.06596	15.5
98.19865	3.9
111.08163	9.1
119.08652	1.9
121.02921	2.3
125.09746	4.3
127.11299	2.4
129.01930	3.7
140.33463	1.8
147.02988	4.0
151.07635	3.5
152.08363	3.7
153.12846	17.8
155.10710	2.6
167.10802	2.2
167.14427	2.1
169.12378	3.0
179.14343	3.1
181.12302	7.5
183.13898	75.3
184.14284	4.3
185.11755	2.6
195.88559	1.8
197.11824	10.9
199.13374	3.2
209.15469	6.3
211.11499	3.0
211.13394	45.0
213.14961	2.7
215.12842	2.8
227.12837	2.6
228.13193	2.0
247.20638	7.6
265.21616	4.0
273.18536	5.2
280.82919	2.0
281.21085	4.0
291.19650	70.3
292.20010	4.7
309.14682	11.2
309.17075	7.6
309.20657	100.0
310.21021	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56207	1.1
59.01403	1.8
66.90652	1.1
69.03454	1.8
71.00437	3.6
95.67968	1.4
97.52011	1.1
109.06576	2.0
111.08154	28.2
127.07655	3.6
127.61203	1.3
151.11320	2.1
169.12326	7.4
181.12297	3.0
197.11832	100.0
198.12105	5.5
199.13367	4.0
211.13397	13.6
227.12862	2.9
263.20184	5.9
265.18057	2.7
273.18436	1.6
291.19672	22.7
309.20728	44.7
310.21072	4.4
332.15381	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01372	2.9
71.01385	0.9
74.56748	0.6
84.68426	0.6
97.06590	2.2
98.19878	1.4
111.08158	1.4
113.09728	2.7
115.07635	1.3
123.04536	0.5
126.06841	0.9
129.01941	1.1
136.83855	0.5
139.11301	1.1
141.09195	1.5
147.02972	0.9
151.07706	0.8
152.08337	1.4
165.12889	3.7
167.10789	1.3
167.14455	1.4
181.12305	4.1
183.13863	0.9
193.12306	2.3
195.13905	2.3
197.11790	1.7
209.12025	0.7
209.15524	1.8
211.13408	4.7
213.15021	0.6
221.15413	1.7
229.14572	1.1
240.13609	1.8
247.20624	4.9
263.20142	0.9
265.21854	0.8
273.18503	3.4
281.21265	1.7
291.19650	39.6
292.19913	2.9
309.20688	100.0
310.21042	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.2
57.03453	1.5
59.01379	2.4
69.03443	1.6
70.27904	3.9
90.49842	1.3
92.14262	1.3
97.02952	2.4
97.06593	1.5
98.20454	2.4
99.00864	7.0
111.00904	2.2
111.08162	17.3
123.00909	1.6
125.06005	1.3
127.07674	2.8
129.01857	1.8
137.09753	3.2
147.03021	1.5
151.04013	21.0
151.07637	29.0
152.08421	41.3
153.09018	1.4
162.10587	1.7
165.12808	1.4
167.10847	1.5
169.12338	4.2
171.10236	5.0
175.07498	1.8
181.12314	3.5
183.13850	3.8
184.07416	6.0
188.17995	1.1
190.09966	3.1
193.08675	3.7
193.12378	2.2
195.13759	1.3
197.11819	62.8
198.12093	3.8
199.13379	3.0
208.11000	5.4
209.15453	58.6
210.15768	1.6
211.13435	10.9
223.13521	1.3
233.15488	1.5
247.17018	3.1
247.20538	2.1
252.10036	10.3
263.19894	2.8
265.18015	13.1
273.18454	1.7
291.16162	4.0
291.19614	31.0
292.19980	2.3
309.17041	100.0
309.20685	63.7
310.17392	8.4
310.21008	3.7
319.35587	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88869	1.3
69.03446	1.4
71.05029	1.4
80.86346	1.2
87.87920	1.3
98.20638	3.9
111.08155	34.7
112.08508	1.3
132.36407	1.2
137.09698	2.2
148.67400	1.5
153.09174	1.7
161.67184	1.5
165.93311	1.3
169.12349	6.5
171.10207	5.1
181.12383	2.1
183.13905	2.8
197.11826	100.0
198.12234	7.5
199.13362	2.1
209.15477	2.0
211.13383	9.4
227.12836	4.5
251.16589	2.5
263.20111	3.6
265.18011	2.8
273.18707	2.0
291.19702	23.9
292.19980	1.9
309.20685	46.6
310.21057	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	309.2069
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.71116	0.7
55.31398	0.8
56.69930	0.7
57.03449	1.3
59.01371	1.5
64.11234	0.7
67.01883	1.1
69.67657	3.1
69.68075	1.7
83.05026	0.9
84.70251	0.7
93.07105	0.8
95.05048	0.7
97.06577	1.5
111.08131	1.4
112.70093	0.7
121.10219	10.4
123.08083	1.2
125.09711	7.2
127.13406	0.8
137.09706	2.8
147.02969	1.2
167.14412	1.8
171.10275	5.5
185.11815	10.5
197.11823	3.7
209.11868	1.3
211.13376	68.4
212.13730	3.6
224.51404	0.8
273.18655	1.3
289.18298	0.7
291.19650	100.0
292.20023	7.7
309.20612	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	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
52.17265	0.4
57.03461	3.4
59.01385	3.6
60.33509	0.5
61.98825	0.5
65.74308	0.5
69.03405	0.6
70.86456	1.3
71.05019	1.0
79.32077	0.5
83.05003	0.8
97.06560	1.1
106.04245	0.7
111.08189	0.7
129.01917	0.7
139.11295	1.2
142.96265	0.5
147.02933	1.2
147.96440	0.4
151.03993	0.6
151.07634	0.6
152.08435	0.6
153.12878	0.7
175.28651	0.5
177.16510	0.7
179.33746	0.5
193.15919	0.7
193.99469	0.5
194.41060	0.5
197.11824	1.3
207.13885	0.7
209.15381	1.6
247.20656	22.1
248.20853	2.2
265.18332	0.5
265.21616	2.2
273.18588	7.7
291.19662	24.9
292.19943	1.7
301.48630	0.5
309.20685	100.0
310.21002	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	309.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85924	0.2
57.03444	0.5
59.01382	7.0
61.30564	0.2
71.01370	0.7
71.22214	0.2
73.02946	0.8
79.95724	1.6
84.62035	0.3
85.02953	3.8
87.00875	0.7
96.96013	96.9
97.95931	0.4
98.19952	0.6
98.20603	0.5
98.95601	0.9
99.00883	0.4
101.02441	0.9
103.04029	0.5
113.02476	0.3
115.00364	1.9
117.01966	0.6
129.01949	5.3
133.02927	0.2
134.03728	0.4
135.04530	2.0
147.02997	10.6
148.03291	0.3
151.07660	0.4
153.86597	0.2
161.02489	0.3
163.02516	0.2
165.09187	0.4
167.21999	0.2
175.02487	4.4
176.02853	0.3
179.03474	2.2
198.09859	0.3
206.63110	0.2
228.10770	1.4
231.42152	0.2
236.12302	0.7
243.11351	0.6
249.11336	0.5
250.10399	0.5
258.11829	2.5
273.09848	0.4
280.11307	1.2
309.13770	100.0
310.14111	6.4
310.17667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85924	0.2
57.03444	0.5
59.01382	7.0
61.30564	0.2
71.01370	0.7
71.22214	0.2
73.02946	0.8
79.95724	1.6
84.62035	0.3
85.02953	3.8
87.00875	0.7
96.96013	96.9
97.95931	0.4
98.19952	0.6
98.20603	0.5
98.95601	0.9
99.00883	0.4
101.02441	0.9
103.04029	0.5
113.02476	0.3
115.00364	1.9
117.01966	0.6
129.01949	5.3
133.02927	0.2
134.03728	0.4
135.04530	2.0
147.02997	10.6
148.03291	0.3
151.07660	0.4
153.86597	0.2
161.02489	0.3
163.02516	0.2
165.09187	0.4
167.21999	0.2
175.02487	4.4
176.02853	0.3
179.03474	2.2
198.09859	0.3
206.63110	0.2
228.10770	1.4
231.42152	0.2
236.12302	0.7
243.11351	0.6
249.11336	0.5
250.10399	0.5
258.11829	2.5
273.09848	0.4
280.11307	1.2
309.13770	100.0
310.14111	6.4
310.17667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.119
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
53.93229	0.8
55.01872	1.7
57.03441	2.3
58.00591	2.9
59.01379	63.8
62.41939	0.8
71.01381	36.1
71.05048	1.1
71.51688	1.7
72.99303	2.2
73.02954	4.6
75.00870	2.4
83.01386	2.1
85.02955	11.3
87.00887	1.4
89.02446	29.4
95.01392	2.4
96.96013	1.8
99.04535	1.0
100.59277	0.9
101.02447	20.6
108.62503	0.8
113.02454	10.9
114.23444	0.8
117.01952	5.9
119.03504	14.9
119.46708	0.9
129.01964	4.7
129.05586	6.1
131.03491	0.9
135.03000	0.9
147.03014	5.2
147.06619	8.5
149.04634	1.0
153.34132	0.8
161.04567	2.7
179.05605	1.4
235.30290	0.8
237.06110	1.4
309.11902	100.0
310.12296	4.8
332.36688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92293	0.7
55.01894	0.8
57.03435	1.6
57.38844	0.8
58.00579	1.6
59.01379	77.5
61.06294	0.8
61.98808	0.8
69.41956	2.6
69.42369	3.0
71.01381	33.9
72.99295	2.3
73.02962	5.7
83.01379	2.1
83.05043	1.7
85.02954	8.0
87.00874	2.1
87.04512	1.1
89.02442	20.0
95.01401	1.7
98.19959	2.0
98.20618	1.4
99.00878	2.1
100.70480	0.8
101.02440	17.7
101.06110	0.8
102.05607	3.2
103.05889	1.1
113.02467	9.6
117.01910	3.3
119.03490	8.6
119.04955	1.1
128.03513	5.6
129.01921	2.2
129.03896	2.3
129.05597	10.5
133.02971	1.2
135.04503	3.1
136.04840	2.8
143.00301	0.7
143.03468	1.2
145.01430	2.8
146.04590	10.3
146.08234	1.6
147.03133	1.0
147.05022	4.7
147.06621	11.6
147.65942	0.8
155.77597	0.9
159.02982	1.0
161.02448	2.8
161.04521	7.2
162.02760	3.7
174.22620	0.7
179.05618	1.2
187.03969	2.2
191.03577	1.1
217.11890	1.6
222.52011	0.9
249.04048	1.7
249.09814	4.1
259.43686	0.9
309.08472	3.4
309.11868	100.0
310.12161	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92293	0.7
55.01894	0.8
57.03435	1.6
57.38844	0.8
58.00579	1.6
59.01379	77.5
61.06294	0.8
61.98808	0.8
69.41956	2.6
69.42369	3.0
71.01381	33.9
72.99295	2.3
73.02962	5.7
83.01379	2.1
83.05043	1.7
85.02954	8.0
87.00874	2.1
87.04512	1.1
89.02442	20.0
95.01401	1.7
98.19959	2.0
98.20618	1.4
99.00878	2.1
100.70480	0.8
101.02440	17.7
101.06110	0.8
102.05607	3.2
103.05889	1.1
113.02467	9.6
117.01910	3.3
119.03490	8.6
119.04955	1.1
128.03513	5.6
129.01921	2.2
129.03896	2.3
129.05597	10.5
133.02971	1.2
135.04503	3.1
136.04840	2.8
143.00301	0.7
143.03468	1.2
145.01430	2.8
146.04590	10.3
146.08234	1.6
147.03133	1.0
147.05022	4.7
147.06621	11.6
147.65942	0.8
155.77597	0.9
159.02982	1.0
161.02448	2.8
161.04521	7.2
162.02760	3.7
174.22620	0.7
179.05618	1.2
187.03969	2.2
191.03577	1.1
217.11890	1.6
222.52011	0.9
249.04048	1.7
249.09814	4.1
259.43686	0.9
309.08472	3.4
309.11868	100.0
310.12161	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	6.7
59.01370	1.9
62.78207	0.6
69.68758	4.0
84.82388	0.6
85.02955	18.4
88.23328	0.7
96.96027	2.0
98.17329	0.7
101.02442	12.3
103.04015	12.6
129.01949	72.9
130.02284	1.1
133.02972	2.1
134.03741	2.1
135.04517	3.3
147.03001	100.0
148.03352	2.0
161.02466	2.5
177.05376	0.7
179.03485	2.4
188.89949	0.7
193.05083	0.8
224.49835	0.7
309.13690	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	308.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.5
59.01390	1.2
70.85571	1.2
82.02991	1.1
84.77429	0.6
85.02954	7.9
88.56133	0.6
100.04097	0.6
101.02445	4.4
102.05614	34.6
103.04005	3.1
109.02974	0.7
121.02928	0.6
128.03543	54.9
129.01945	34.6
133.02962	7.1
134.03366	1.3
135.04532	40.3
136.04871	1.7
146.04599	100.0
147.03000	44.9
147.04916	2.9
148.05322	0.6
161.02449	36.9
162.02754	1.1
172.02510	9.8
179.03564	5.6
180.03850	1.0
220.09624	0.8
246.07596	0.7
262.00043	0.6
264.08780	1.3
290.06781	1.8
308.07755	28.5
309.08282	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2279
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01384	3.6
62.38053	0.6
69.20831	5.6
71.01370	5.4
88.13840	0.5
103.04002	2.1
103.76274	0.6
141.74945	0.5
157.05046	1.7
247.08179	2.0
275.67453	0.6
307.22763	100.0
308.23135	8.1
313.80200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.6
71.01378	1.9
71.51931	1.1
82.02973	1.7
85.02959	3.4
87.00846	0.8
89.02459	1.4
90.15710	0.8
98.02483	1.6
100.04060	1.7
101.02439	3.1
102.05607	32.9
117.01936	0.8
117.57949	0.7
126.96640	0.8
128.03540	51.8
129.01923	4.5
129.03838	0.8
133.02959	5.8
134.03755	1.0
135.04526	33.8
136.04929	0.9
145.34572	0.8
146.04593	100.0
147.02979	2.1
147.04959	2.2
161.02441	33.0
162.02797	1.1
172.02531	9.2
177.09282	1.2
179.03494	6.4
189.14235	0.9
202.08710	0.9
205.24846	0.9
220.09798	0.9
220.94930	0.8
246.07747	1.5
264.08774	1.3
285.64618	0.9
290.06741	2.9
308.07742	28.8
308.10538	1.2
309.08279	1.6
309.11893	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	308.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58504	0.6
57.03436	2.6
59.01373	1.3
71.01387	1.4
82.02991	1.5
85.02954	7.0
100.04012	0.7
101.02440	6.7
102.05605	36.3
103.04016	4.0
103.05929	0.7
103.52369	0.7
117.64098	0.7
128.03537	54.3
129.01936	28.4
129.03806	0.7
133.02943	7.3
134.03711	1.2
135.04523	34.9
136.04858	0.9
146.04587	100.0
147.02986	41.2
147.04863	1.5
161.02434	35.2
162.02780	1.4
163.03978	1.2
172.02515	7.9
179.03532	4.7
185.30124	0.8
246.07692	1.0
247.32405	0.6
249.04062	0.9
264.08774	1.0
290.06549	1.0
308.07755	25.6
309.08273	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91432	0.5
56.69820	0.7
59.01387	3.6
63.50441	0.6
71.01383	3.5
71.05027	5.2
71.84686	0.6
77.49099	0.6
80.02683	1.4
81.03458	1.9
83.05041	1.6
95.05019	1.7
97.06589	0.7
98.03748	1.5
103.04005	1.6
106.04233	0.7
109.06586	14.3
111.04520	5.7
111.08154	1.2
112.05309	0.8
123.04526	0.9
123.08172	1.6
127.07666	3.8
135.08202	0.6
137.06070	0.7
137.09682	1.2
143.10728	1.4
145.06578	1.6
149.06140	0.6
149.09705	2.1
151.11282	0.7
157.05052	1.1
159.08241	0.8
167.10796	2.2
179.10785	1.7
195.13898	3.4
207.17703	0.7
219.68425	0.7
235.13309	1.2
245.19019	4.1
246.19360	0.8
247.08408	1.0
251.16583	1.1
270.87445	0.6
271.17026	1.6
274.85257	0.6
287.16483	2.8
289.18091	100.0
290.18427	8.2
293.06934	0.6
307.19147	8.5
308.19635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03449	18.6
59.01387	18.7
59.87197	2.8
62.40759	2.5
63.82249	2.6
64.93832	2.8
69.03458	3.8
71.01379	33.9
71.04993	2.5
71.38246	2.8
74.35048	2.6
75.49873	2.5
80.02671	3.8
83.05005	8.4
86.90259	2.7
87.77184	3.0
95.05011	9.8
97.06591	31.2
103.04012	12.4
107.04989	3.3
109.06562	3.4
111.08157	17.2
121.06589	3.3
123.04516	5.8
123.08214	3.3
125.09695	6.0
137.09712	5.5
149.09706	6.2
151.11278	39.8
153.09114	4.3
153.12889	7.1
155.10799	14.0
157.05070	6.6
163.11238	8.6
165.11594	4.2
165.12848	41.8
167.10785	6.3
168.11453	4.4
169.12303	3.8
177.12833	5.2
179.10793	9.7
181.12343	52.0
182.18253	2.8
191.10747	24.9
191.14398	9.1
197.11809	4.7
205.12363	4.8
209.11829	99.0
210.12209	6.0
211.13364	6.5
219.36160	2.7
239.09213	5.0
245.19070	45.9
246.19450	3.7
247.08224	6.4
261.18649	2.8
263.20154	10.6
271.16943	6.1
279.19717	6.6
289.18097	55.4
307.19141	100.0
307.22598	6.2
308.19446	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	307.1914
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.04439	1.8
57.03431	3.1
58.05109	1.8
59.01374	10.8
65.03960	3.9
67.26160	1.9
71.01386	14.6
71.05008	3.0
79.05480	1.8
80.02684	2.7
83.05026	4.1
93.03456	23.1
97.06590	9.1
98.19958	3.9
103.04012	9.3
106.04250	1.7
109.06583	2.7
111.04482	3.1
117.07108	22.8
119.05024	4.0
119.08659	32.3
120.05802	3.0
121.06569	5.0
123.08179	2.3
125.09731	16.4
133.06589	7.7
135.08160	100.0
136.08482	4.9
137.09695	3.7
149.02449	1.7
157.05022	4.4
171.10268	80.6
172.10544	2.3
185.11789	4.3
202.19597	1.6
209.11806	8.8
211.13417	3.4
231.13821	1.9
233.15392	3.1
235.13400	3.2
245.19124	3.4
247.08167	5.3
249.14903	3.5
255.16298	1.6
271.16910	4.9
279.19629	5.8
289.18106	72.2
290.18439	6.9
307.10110	2.1
307.19156	36.8
308.19275	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	15.1
59.01375	10.2
69.03455	5.7
69.32143	3.2
69.32549	11.1
71.01385	20.3
71.05016	2.2
83.05015	7.8
93.03463	2.2
95.05038	5.2
97.02961	1.7
97.06590	24.1
98.20026	4.3
98.20673	3.0
103.04002	6.8
108.02081	2.2
109.06568	4.8
111.08176	12.6
117.03004	1.7
121.06590	1.6
123.04516	3.9
123.08150	2.0
125.06057	2.5
125.09718	5.6
135.08160	2.3
136.69574	1.6
137.09735	2.7
142.39809	1.6
149.09695	4.9
151.11278	26.1
151.58801	1.7
153.09172	4.2
155.10747	8.2
157.05005	2.9
161.09709	2.1
163.11214	6.6
165.12831	33.4
167.10744	4.3
169.12302	3.2
177.12865	3.4
179.10742	13.0
181.12329	40.2
191.10805	23.0
191.14410	7.2
195.10368	3.1
197.11830	3.0
205.12363	3.0
209.11819	100.0
210.12172	5.6
211.13393	8.2
217.16063	2.3
226.11928	2.7
239.09184	2.1
245.19072	32.3
246.19337	2.9
247.55800	1.7
263.20126	9.0
271.17090	4.3
279.19598	6.6
289.18079	43.3
307.19110	64.0
308.19220	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	5.1
59.01381	11.2
66.56889	1.0
67.01891	2.1
69.03444	2.7
69.22247	0.9
69.67634	0.9
70.90068	1.0
71.01380	9.5
76.02442	1.0
80.02681	2.3
80.14560	1.1
81.03461	6.8
83.01393	6.9
83.05020	5.4
85.02944	1.3
91.83457	0.9
95.04995	5.0
97.02940	6.0
97.06578	11.2
103.04011	5.3
106.04237	2.2
109.06561	3.8
110.03717	1.8
113.06093	1.3
117.22456	1.0
119.04966	1.2
119.08656	1.6
121.06572	2.8
123.04533	9.0
123.08134	4.9
125.06104	1.3
125.09723	18.5
135.08153	4.0
137.09726	13.5
141.12830	3.7
142.02698	1.5
149.06059	3.3
149.09702	1.1
151.11208	1.3
157.05052	3.6
161.09709	1.3
163.07639	1.9
163.11290	18.9
164.08420	1.3
165.09189	2.0
165.12820	4.6
167.10742	3.0
171.10327	2.0
177.12794	2.2
179.10733	2.5
181.12318	5.5
185.11815	20.5
191.10718	4.0
191.14433	20.9
197.11658	1.4
207.10208	10.8
209.11807	48.8
210.12184	1.9
211.13359	1.8
217.16042	1.9
225.11317	9.7
226.11877	1.8
245.19090	46.6
246.19432	2.8
247.08192	3.0
247.17079	1.6
251.12907	1.2
261.18417	1.4
263.20132	23.8
264.20532	1.3
271.16943	5.3
289.18082	100.0
290.18497	8.0
307.19125	64.4
308.19342	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00515	0.2
59.01377	2.1
59.96725	0.4
61.98863	0.3
70.93924	0.3
71.01383	2.3
74.99072	4.9
75.96223	0.2
83.36285	0.3
91.02214	2.7
93.00144	1.6
103.04023	1.5
135.04529	0.5
143.05371	0.4
144.03694	0.3
149.00937	2.7
157.05078	1.1
159.08461	7.2
160.08759	0.3
161.06403	1.9
174.39896	0.2
192.98169	0.6
198.34575	0.3
206.99670	1.4
209.01247	2.6
217.07251	0.7
223.02834	49.1
224.02875	3.7
241.03986	0.4
247.08278	0.8
275.05945	0.6
289.07599	2.1
291.09097	100.0
292.09213	9.5
307.12317	4.5
308.12253	0.5
309.10117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59039	0.6
59.01367	1.0
69.51184	3.6
71.01377	1.4
79.95733	2.5
85.02979	0.9
96.96013	100.0
98.20156	1.8
98.95599	2.4
98.96442	0.7
103.03974	0.7
108.97615	0.6
111.91357	0.6
116.30434	0.5
133.02946	1.9
133.67767	0.5
134.74667	0.5
142.99370	0.5
177.01952	0.9
209.97028	0.6
307.12238	80.5
308.12552	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	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.7
60.05196	0.3
60.18155	0.3
69.20523	2.8
71.01384	5.4
74.99070	6.2
75.96219	0.4
82.25323	0.3
87.91537	0.3
89.02470	0.5
91.02225	2.5
93.00136	1.7
98.20701	0.5
103.04025	3.3
143.05318	0.5
149.00929	2.8
157.05069	2.3
159.08470	7.5
161.06375	1.8
192.98186	0.5
206.99742	1.5
209.01302	2.7
217.07204	0.8
223.02838	50.7
224.02846	3.8
225.00807	0.6
241.03812	0.5
247.08208	1.6
289.07352	1.7
291.09100	100.0
292.09210	10.1
307.04361	0.3
307.12439	4.1
309.10107	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.7
58.02972	2.3
59.01377	73.3
67.03060	1.1
69.79395	2.2
69.79808	4.8
71.01379	44.7
72.99284	2.1
73.02943	38.8
74.02450	2.6
81.02928	1.1
82.02988	1.7
83.01388	11.1
85.02946	34.0
85.92245	1.2
87.00879	3.6
89.02433	7.7
93.94540	1.2
96.46130	1.0
96.96018	2.1
97.02974	1.5
98.02442	2.0
98.19880	1.2
99.00841	1.4
99.04495	1.6
101.02444	24.4
102.05609	9.3
103.04009	46.2
105.03427	1.5
113.02457	5.8
117.05564	1.9
119.03514	2.8
119.05024	1.7
120.99633	3.9
125.02430	1.8
128.03555	13.6
131.03482	1.8
133.02925	6.8
135.04515	13.9
135.71063	1.3
143.04613	3.8
145.05034	3.3
146.04597	25.5
147.04556	1.5
149.04556	1.4
152.41980	1.1
155.03534	1.1
157.05046	7.5
161.02481	8.5
161.04564	3.8
172.02531	3.5
177.01953	2.5
177.03404	4.8
179.03488	6.0
186.91814	1.0
247.08221	10.0
262.07193	3.0
265.09299	5.7
271.11923	1.4
290.06760	2.6
307.04535	3.2
307.10361	100.0
308.07657	6.5
308.10553	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	307.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49695	1.1
51.37402	1.3
55.01877	2.6
57.03444	6.2
58.02956	4.2
59.01377	69.4
60.01704	1.3
61.98828	100.0
65.60823	1.5
69.03457	1.4
69.26281	12.9
71.01379	56.6
72.99291	2.2
73.02944	38.9
75.00873	1.5
79.95719	3.6
80.96476	1.7
83.01380	10.2
85.02948	42.3
87.00871	3.3
89.02460	8.4
94.09154	1.3
95.01342	1.8
95.05045	2.3
96.96005	51.2
97.02921	1.9
98.95612	8.0
98.96397	1.3
99.00880	4.3
99.04523	1.7
101.02441	37.5
103.04007	50.7
104.04409	1.3
105.03449	7.8
109.02948	2.7
110.09776	1.7
113.02431	12.8
119.03479	4.0
125.02381	1.8
129.01933	6.9
131.03448	1.9
133.02956	47.5
134.03316	1.7
143.03540	1.4
145.05061	2.2
147.04460	2.2
156.13918	25.9
157.05064	6.8
158.11859	16.9
159.02913	1.6
161.04546	13.8
163.61325	1.4
164.07149	5.5
175.07585	3.0
177.01953	17.4
182.11911	1.5
187.36942	1.2
189.05490	2.7
200.12915	80.6
201.13217	2.0
206.08167	4.3
244.11934	8.3
247.08269	9.9
265.09232	5.5
307.09958	90.2
307.17465	6.3
308.10480	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	307.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12537	0.7
59.01381	11.7
61.98817	1.6
71.01381	14.8
71.05011	4.3
79.95756	2.6
80.39452	0.7
83.73957	0.7
85.02956	1.6
86.07404	0.7
95.05124	0.7
96.96008	59.9
97.02929	1.4
99.04521	7.2
101.02435	1.9
103.04008	7.9
113.02415	1.8
115.04007	3.1
117.03489	2.2
117.05590	7.0
119.05027	16.7
133.02950	5.2
143.03494	37.4
145.02956	5.9
157.05031	4.6
161.04547	100.0
162.04871	3.1
163.03999	15.7
177.01923	2.2
247.08231	4.2
263.13022	0.8
307.12213	50.6
308.12546	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	307.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01824	0.9
56.84423	0.8
59.01379	8.2
61.98833	1.5
63.90725	0.7
69.65009	0.8
71.00158	0.8
71.01387	7.2
71.05028	5.6
71.54395	1.1
72.04552	2.7
76.67918	0.9
78.56774	0.9
81.16915	0.7
82.02972	1.4
85.02950	1.4
87.05632	1.4
88.04041	1.8
91.05518	1.0
96.96019	4.1
97.02952	1.7
99.04520	7.2
100.04045	11.8
101.02483	1.4
103.04008	2.7
114.01968	1.0
115.04023	3.7
115.05137	9.4
116.05013	1.0
117.03494	1.8
117.05579	6.5
118.06638	1.3
119.05024	10.3
128.03542	1.0
129.01912	1.3
133.02937	1.1
143.03493	29.0
144.02980	4.8
145.02934	4.9
147.04532	1.2
157.05045	2.8
161.04550	100.0
162.04895	2.5
163.04013	10.8
176.07135	1.3
177.01999	1.4
187.07527	1.3
201.10355	1.5
214.54993	0.8
232.09807	3.5
235.10863	5.3
245.09355	2.7
247.08224	1.8
263.10349	1.8
263.12866	1.7
276.08795	2.2
290.17334	0.9
307.11914	3.7
308.11362	4.2
308.15289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2486
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
61.18546	1.7
61.98838	3.3
67.31848	1.6
71.11694	1.6
85.26398	1.8
91.53239	1.7
157.89725	1.7
218.31314	1.7
305.24854	100.0
306.25333	8.1
318.69702	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	306.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
61.98830	100.0
65.92420	0.2
69.72646	0.2
69.76406	1.4
71.01384	1.9
78.46608	0.2
96.78981	0.2
98.20132	0.6
103.04005	1.2
105.04202	0.3
112.72819	0.3
121.02998	0.4
123.84974	0.3
157.05035	0.5
161.98947	1.3
162.00159	0.2
162.98570	0.9
164.96391	65.4
165.96497	2.8
187.14522	0.3
206.97443	25.4
207.97583	1.6
247.08215	0.5
306.97531	23.9
307.97662	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	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
53.70808	1.2
57.03453	2.7
59.01379	13.8
61.98821	2.7
69.03455	2.0
71.28154	1.4
82.60700	1.4
91.05540	16.9
97.06577	4.0
98.19923	2.7
98.34190	1.4
103.92023	1.9
106.04246	20.8
107.08712	7.3
117.07115	22.8
119.05017	17.2
121.02930	1.8
123.08183	3.1
125.09724	36.1
133.06648	1.7
135.08171	87.0
136.08490	2.4
143.04999	1.6
153.09212	2.4
153.10570	1.1
158.07343	1.6
161.06047	1.5
162.06816	1.5
169.08698	2.0
171.10275	6.1
185.10443	1.2
185.11823	7.8
193.86076	1.9
243.17560	3.3
249.15031	2.6
261.14847	8.8
269.15485	8.6
270.15790	1.7
277.18033	8.4
277.88791	1.4
287.16544	46.4
288.17007	3.9
305.08340	2.5
305.17587	100.0
306.17868	8.0
309.94315	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
51.54464	0.8
53.58177	0.9
57.03440	1.2
59.01379	9.3
61.25957	0.9
61.98823	2.7
69.03464	1.0
71.05019	32.0
71.52492	0.9
80.02646	1.2
81.03445	2.8
83.05024	1.8
93.03448	2.1
95.05020	15.3
97.06559	1.4
106.04253	2.2
107.05047	2.3
109.02972	0.9
109.06589	12.2
111.04495	2.3
119.05038	1.2
121.06612	3.5
122.03741	2.5
123.08148	1.3
127.07676	1.9
135.08163	3.8
139.07661	1.0
147.04523	2.0
147.08174	2.1
149.09755	1.2
150.06821	1.5
156.12201	0.8
160.00864	0.9
161.06062	2.5
161.09744	1.9
165.09177	9.0
189.12849	12.8
205.15988	7.2
217.01253	0.9
231.13870	1.7
233.11790	7.3
243.17528	9.5
244.17863	1.0
249.14995	11.2
250.15230	1.1
261.18582	3.0
263.16455	1.3
269.15482	3.2
287.16531	71.1
288.16891	6.3
305.17578	100.0
306.17920	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	305.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.2
59.01379	100.0
60.01719	1.1
61.98809	0.9
63.23060	0.8
69.53301	4.7
71.01361	4.7
72.99331	1.6
73.02954	2.8
75.00897	0.7
77.84607	0.7
79.95757	2.5
81.99327	0.8
83.01398	1.2
85.02943	3.7
87.65845	0.7
87.77020	0.7
96.96010	30.2
101.02438	6.6
102.18417	0.7
113.02477	2.2
159.02942	1.2
159.10136	0.9
161.04578	2.6
175.13222	1.8
194.37822	0.7
207.63832	0.8
223.11629	0.7
245.11937	1.3
253.12642	1.5
263.15076	6.7
275.12079	4.0
275.62274	1.3
305.10638	21.2
305.14185	1.3
306.10858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
79.95731	6.6
96.96010	100.0
97.95930	0.3
98.20285	1.5
125.92783	0.3
136.83549	0.3
305.10620	78.4
306.10913	5.2
311.99768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93829	0.3
74.14529	0.3
79.95731	7.8
82.02991	1.5
90.44587	0.3
96.96009	100.0
97.95943	0.6
98.02444	0.3
122.97578	0.4
184.07652	0.5
186.09290	0.4
202.08675	0.5
230.08333	0.4
246.07632	1.8
254.84645	0.3
274.07156	0.7
305.10629	73.6
306.10870	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	305.1144
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
57.03464	0.6
58.56182	0.4
59.01376	1.6
68.46803	0.4
69.66661	2.6
71.01370	0.5
79.51182	0.4
79.95743	0.4
82.02987	3.2
83.01389	0.4
90.83303	0.4
94.02976	1.9
96.04565	4.4
96.96012	14.9
97.02967	0.7
99.04633	0.4
110.06141	0.4
120.04572	0.6
120.99682	0.6
122.03746	4.4
122.06121	1.7
136.04063	1.7
138.05609	100.0
139.05974	3.2
149.05063	0.4
150.05592	0.5
174.05576	0.6
184.48979	0.4
188.07188	1.1
190.08781	1.1
196.23192	0.5
202.08789	1.0
216.10193	0.7
217.06265	0.7
217.09030	0.8
218.06975	1.8
218.11902	1.6
233.09312	4.5
244.09848	1.4
245.09177	0.8
261.12430	10.5
262.12756	0.6
287.10379	1.1
305.11209	25.4
305.19492	2.0
306.11551	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	305.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
69.44138	0.3
69.52733	2.2
79.95731	11.8
96.60963	0.3
96.96008	100.0
97.95884	0.4
98.95594	2.8
98.96502	0.3
136.15297	0.3
245.20966	0.3
305.10638	96.7
306.10947	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	305.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07375	0.3
53.51011	0.3
55.86287	0.2
59.01376	1.4
59.79677	0.3
69.22942	2.5
79.95731	2.7
81.00142	0.3
96.96010	100.0
252.62024	0.3
277.11157	0.9
305.10623	71.8
306.10880	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	305.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73944	0.2
57.10557	0.2
59.01382	1.4
71.01376	1.1
71.54332	0.5
79.95720	1.7
85.02952	0.6
87.00836	0.3
89.02464	0.5
91.20695	0.3
92.03526	0.2
96.96009	100.0
99.00876	0.3
100.12927	0.2
101.02441	0.9
106.07888	0.2
110.02457	0.3
110.49403	0.2
113.02374	0.3
118.98079	0.2
119.03531	0.3
138.05588	0.6
164.04417	0.2
299.64218	0.3
305.10620	74.4
306.10971	4.6
322.40744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	37.9
61.98817	0.5
69.20044	3.9
71.01379	0.5
79.95729	2.7
86.02509	0.4
96.96009	100.0
97.06601	0.6
98.20283	2.1
128.03523	0.9
133.89873	0.4
135.08171	0.9
143.04613	1.1
147.08145	1.3
225.11314	20.4
226.11636	1.0
261.12500	0.5
272.08942	0.7
305.07037	76.3
305.10599	9.9
306.07346	4.2
306.10672	0.7
317.93729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0667
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
55.86722	0.7
57.03441	8.7
58.78427	0.7
59.01379	27.5
69.03449	2.1
70.66778	2.2
71.01383	5.5
72.99294	1.2
73.02950	1.0
77.44639	0.8
81.03442	4.1
83.01381	5.1
83.05033	1.5
85.02933	4.6
89.02441	4.9
93.03440	2.8
95.01401	3.8
95.05035	3.2
97.02945	5.6
99.00927	0.8
99.05642	1.4
101.02443	3.6
109.02250	1.0
109.02957	14.1
111.04515	5.5
113.02451	2.6
119.03507	1.8
120.99695	1.0
121.02934	2.6
123.00881	6.9
123.04526	1.2
124.01679	4.8
125.02444	100.0
125.06032	1.9
126.02776	2.3
128.03569	1.8
133.02937	1.1
135.04526	2.6
137.02449	26.0
138.03163	2.1
139.04012	20.9
140.04295	0.9
142.97018	0.9
143.04628	1.9
143.07094	1.9
147.04512	1.6
149.06087	1.6
151.03993	2.2
159.04544	1.0
160.31834	0.9
161.02414	3.5
161.04576	1.7
162.03217	1.3
163.07664	0.9
164.01120	5.2
165.01935	22.3
166.02541	1.0
167.03496	20.1
175.03969	2.7
177.02049	1.1
177.05540	4.5
179.03499	19.3
180.03922	1.0
191.07181	2.2
201.05539	1.6
203.03522	3.2
204.04265	3.6
205.03619	0.9
211.88782	0.8
218.05902	1.5
219.06606	16.5
221.04517	6.9
233.08067	0.9
239.64413	0.8
243.06618	1.6
261.07642	6.9
279.84763	0.8
287.75198	0.9
297.38455	1.0
305.06650	67.4
305.12378	3.6
306.07010	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	305.0666
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
57.03448	8.1
59.01380	32.1
60.01721	0.9
61.98817	1.3
66.18134	0.8
69.03446	1.3
70.07481	4.1
71.01383	11.9
73.02934	2.1
79.95767	1.0
81.03458	4.3
81.07095	1.2
82.02976	1.1
83.01376	5.3
85.02954	12.1
86.73425	0.9
87.00868	1.0
89.02438	7.2
89.41735	0.9
93.03452	2.5
95.01360	3.4
95.05020	4.5
96.96014	23.7
97.02943	5.2
98.20548	1.1
101.02453	5.5
107.05003	1.3
109.02950	17.9
111.04529	4.2
113.02453	5.6
119.03484	3.2
120.99672	1.2
121.02944	4.0
123.00880	7.8
123.04509	3.0
124.01698	4.6
125.02444	100.0
126.02792	2.1
128.03561	1.9
132.02161	1.0
133.02956	25.6
135.04529	14.0
137.02448	29.8
138.03157	1.3
138.05588	6.3
139.04019	20.4
143.07112	4.0
147.04504	2.2
149.02377	1.6
149.06076	2.3
151.03973	2.9
159.04506	2.7
161.02448	5.3
161.04533	2.8
161.05901	0.9
164.01158	6.0
165.01920	25.0
166.02583	2.0
167.03485	22.8
173.06058	1.5
175.03972	3.8
175.07538	1.9
176.03471	2.7
176.04807	1.0
177.01906	4.3
177.05544	5.1
178.02666	1.6
179.03493	22.7
180.03748	0.9
181.05078	1.0
191.01921	2.0
191.07181	1.9
193.05008	1.5
201.05447	2.1
203.03497	2.3
204.04218	3.6
209.02965	2.1
218.06052	1.2
218.08134	3.2
219.06616	18.7
221.04556	8.3
225.11292	4.8
237.07652	2.0
243.06581	2.0
261.07571	7.3
262.07266	1.0
287.05463	1.9
305.06708	92.3
305.11914	8.0
305.15912	1.9
306.06824	5.8
306.09988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.1
59.01379	5.4
66.61787	0.6
68.99570	73.5
69.80739	0.7
70.99605	0.8
71.01372	1.8
71.51971	1.3
72.99306	0.8
82.03060	0.9
84.02145	0.9
85.02946	13.9
86.02492	1.9
87.04497	1.1
89.00677	4.1
96.29057	0.7
99.72083	0.7
101.02462	0.8
112.98564	100.0
113.02488	1.0
117.38548	0.8
120.99641	1.6
125.02448	1.1
127.08794	1.6
128.03516	9.9
129.01935	1.4
131.03433	1.0
133.01486	0.7
133.02962	3.2
135.04529	1.1
171.07729	10.4
176.03581	2.1
191.01994	4.0
209.03008	3.3
218.08228	0.8
244.96162	0.8
259.79279	0.9
262.07150	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	38.2
59.01386	0.3
59.03323	0.3
62.45357	0.1
70.02982	0.2
71.52729	0.2
79.23510	0.2
82.29070	0.2
89.55444	0.2
100.93210	0.2
111.37395	0.2
125.23124	0.2
126.14762	0.2
151.11356	0.3
168.13940	100.0
169.14284	4.3
170.81229	0.2
176.39481	0.2
212.10930	0.1
212.12907	4.3
213.13177	0.2
273.14215	0.2
304.19199	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	303.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	37.8
69.27148	22.4
71.01368	15.2
72.99308	28.1
75.00868	24.2
79.95730	17.9
84.02168	3.3
89.02441	24.8
93.03445	3.1
95.04977	3.0
95.95227	6.1
96.96021	21.6
97.02945	5.1
97.06583	14.8
98.20507	10.0
99.00883	5.7
105.07071	5.6
107.05019	5.9
109.06580	8.5
110.03688	5.2
111.08170	22.5
112.98804	22.2
117.01914	15.7
121.06590	13.3
123.08144	8.5
124.01653	8.3
124.51649	2.8
124.98787	7.1
125.06090	8.8
135.02963	6.2
137.06081	5.9
139.07655	48.3
140.08003	3.5
142.99857	100.0
144.00124	2.9
149.06094	22.2
153.05545	10.9
155.07048	3.7
163.11218	2.4
165.05545	2.6
167.05696	3.4
167.07124	61.0
173.00885	27.0
174.01666	26.4
175.50018	2.6
181.08661	5.1
183.06551	4.8
184.51193	3.0
185.11783	5.3
193.05038	7.2
211.06052	12.4
213.07742	15.5
225.07631	16.9
243.08655	3.6
288.06836	3.1
303.09033	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	303.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19856	0.6
52.96530	0.6
59.01380	11.2
69.23822	6.5
71.01389	4.6
72.99311	13.7
73.02946	1.6
75.00877	3.0
79.05518	0.7
79.95726	5.4
80.96532	1.8
83.01375	0.9
84.02207	0.8
85.02965	1.0
89.02440	6.3
96.96015	100.0
97.06590	5.1
98.20024	2.5
99.00863	3.8
107.05066	0.9
109.06596	2.0
110.03680	0.7
111.08154	2.6
112.98808	13.0
117.01953	5.0
121.06594	1.6
123.04489	0.9
123.08128	1.0
124.01674	1.0
125.06100	3.2
134.47554	0.7
135.02997	5.2
135.04558	1.0
139.07634	4.5
142.99867	11.5
149.06100	2.9
151.00375	0.9
151.04010	1.4
153.05569	6.1
167.07150	6.5
173.00931	3.3
174.01704	16.0
175.02159	0.9
183.90646	0.7
193.05040	2.2
205.12325	1.6
211.06137	1.2
229.14552	0.9
251.11005	0.8
303.09055	44.3
303.21722	0.7
304.09494	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	301.1661
Annotation	Viridamine
Peak:m/z	Relative Intensity
55.47127	0.1
57.25274	0.1
59.01373	0.1
60.97499	0.6
74.99053	0.7
77.42652	0.1
77.69921	0.1
82.54198	0.1
118.96210	0.9
120.97840	0.1
134.99400	4.6
135.99362	0.2
136.97313	1.6
141.07399	0.3
143.05305	1.2
150.98865	0.5
156.16771	0.2
159.08453	1.0
161.06392	5.1
162.06505	0.2
201.04086	0.5
203.05650	2.6
204.05725	0.2
205.03555	0.8
215.05693	0.8
217.07193	75.0
218.07323	4.3
222.88109	0.1
228.95148	0.1
261.06146	0.7
283.11923	0.6
283.15533	0.3
285.13461	31.2
286.03906	0.2
286.13647	2.7
301.16583	100.0
302.16788	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	301.2172
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
59.01365	0.4
61.98840	0.7
69.14600	0.4
70.07679	2.2
72.90724	0.5
86.50524	0.4
98.20529	0.6
106.85098	0.4
113.80811	0.4
123.00909	0.5
130.13910	0.5
164.10588	0.4
286.03772	0.8
300.99948	1.0
301.21713	100.0
302.22073	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	303.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.3
59.01366	0.5
69.78750	0.8
71.01351	0.3
76.01186	0.2
79.95732	1.1
83.01359	0.2
85.02942	1.2
96.96011	100.0
97.06590	0.2
98.20139	0.5
118.18396	0.2
120.99663	0.4
129.01939	0.3
129.09216	0.8
135.04533	0.2
174.01712	0.4
181.20340	0.2
236.09938	0.2
257.08295	0.2
303.09061	33.2
303.18246	0.6
304.09335	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	301.0354
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.89227	0.3
55.42205	0.3
63.02395	7.2
65.00324	12.9
69.25482	2.1
69.25896	1.0
83.01385	8.5
93.03462	3.9
95.01430	0.4
98.20640	0.9
107.01389	23.0
108.04546	1.2
109.02985	1.9
121.02959	20.0
122.03262	0.5
124.01690	0.5
124.07706	0.6
125.02456	0.7
128.93417	0.4
136.01799	0.4
136.07695	2.6
137.02444	0.5
139.04008	1.4
145.02965	0.5
149.02434	2.9
151.00368	69.3
152.00691	2.0
159.04520	1.0
161.02437	1.2
163.00394	1.5
163.03975	0.8
164.01178	1.5
165.01863	0.7
169.01439	1.6
173.06030	0.5
175.03979	0.5
178.99861	23.0
180.00238	1.1
183.04489	0.7
185.06038	0.8
187.04012	1.1
193.01404	1.1
201.05513	0.8
203.03418	0.6
211.04008	0.8
215.03531	0.5
227.03464	0.6
229.05075	1.5
231.02998	0.5
245.04552	1.9
255.02942	1.0
257.04489	0.7
257.12936	6.2
273.04025	3.0
299.01981	0.7
301.03522	100.0
302.03845	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	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00330	0.4
58.00603	0.5
59.01381	3.0
64.59595	0.2
68.01411	2.4
69.36965	1.3
69.37384	0.6
70.03047	0.2
71.01376	1.3
72.99317	0.4
89.02438	0.9
94.06647	0.4
95.05031	0.5
101.02460	0.5
109.01740	0.2
115.40112	0.2
119.03518	0.3
122.02492	1.1
122.06122	0.4
123.03271	6.0
124.07674	0.9
130.08730	0.6
135.26143	0.2
136.07675	0.6
137.04823	0.9
138.05611	100.0
139.05962	2.2
143.11940	0.4
150.05571	0.4
152.03487	0.4
152.07214	1.5
166.08708	0.5
167.05870	2.4
168.06654	0.4
180.06659	5.5
210.07704	0.7
214.15604	0.5
222.07849	0.3
240.08720	0.4
250.93369	0.2
257.12881	0.3
285.03653	0.6
300.10898	18.5
300.15402	0.6
301.04077	0.4
301.07602	0.3
301.11337	1.0
307.64584	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00344	0.2
59.01385	1.2
68.01421	0.6
69.15647	2.1
77.36459	0.2
79.95760	0.3
93.03455	1.3
94.03790	0.9
101.02459	0.2
108.08198	0.3
120.04525	0.3
122.02527	0.5
122.06123	0.2
123.03260	9.6
124.00746	1.8
124.36700	0.2
137.02429	1.7
137.04811	1.1
138.02814	2.4
138.05605	100.0
139.05989	2.6
152.07199	0.4
165.04236	0.4
167.05908	0.7
180.06660	2.0
212.14191	0.2
244.80151	0.2
285.03622	0.4
300.05753	0.8
300.10870	7.5
301.10980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11151	0.2
54.63923	0.2
59.01377	1.7
61.26506	0.2
65.39021	0.2
68.01425	0.6
69.65694	0.8
69.66103	0.5
71.01366	0.5
72.01756	0.2
73.96357	0.2
89.02446	0.6
95.05036	0.2
101.02424	0.3
106.93885	0.2
111.67428	0.2
113.02454	0.3
120.05427	0.3
122.02473	0.3
123.03264	9.7
124.00747	1.5
124.07693	0.4
137.04825	0.8
138.05611	100.0
139.05981	3.0
152.07141	0.4
165.04294	0.3
167.05907	0.5
180.06660	2.2
270.77255	0.2
285.03247	0.2
300.05862	0.6
300.10873	6.8
301.11346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0771
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
55.01852	0.3
56.97279	0.3
59.01369	1.0
64.85613	0.3
68.43680	0.4
69.43014	2.4
71.01386	1.1
73.02940	0.7
81.56084	0.4
85.02959	0.5
88.04047	0.5
89.04419	0.4
89.25394	0.4
91.66142	0.4
93.03458	84.4
94.03806	1.5
96.96019	0.7
101.02469	0.4
137.02444	100.0
138.02768	3.1
138.05614	1.7
166.02702	0.4
179.03514	0.4
183.99812	0.4
210.19022	0.4
240.04404	0.5
261.48911	0.4
284.03287	4.0
299.05707	4.1
300.05560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
57.03453	1.1
58.00596	1.9
59.01381	43.2
60.01727	0.4
63.96255	0.4
64.97021	1.5
71.01384	26.7
71.05013	0.3
71.51902	0.5
72.01714	0.4
72.99313	3.2
73.02937	2.9
73.03228	0.3
74.99068	0.3
75.00874	25.9
78.95936	1.0
79.95763	0.6
80.96519	1.1
83.01385	1.5
85.02949	5.7
86.02482	0.5
87.00875	4.4
87.04533	1.1
89.02448	24.7
95.01402	1.4
96.96015	2.2
99.00889	3.7
101.02448	16.2
109.02948	0.4
111.00853	0.4
113.02449	8.2
115.04018	1.3
117.01945	4.9
118.22618	0.3
119.03500	10.0
124.00740	0.4
125.02429	0.3
127.04037	0.9
128.03511	0.6
131.03482	0.8
135.02997	2.0
136.94041	0.9
143.03511	1.2
149.04581	0.6
150.05592	0.8
154.90617	0.8
156.91043	0.4
161.04596	1.1
167.99760	0.9
178.95100	1.1
179.05690	2.1
187.06114	2.6
209.02956	0.4
224.95706	1.1
233.06648	0.7
236.06891	0.5
236.87131	0.4
237.06184	5.9
256.85892	0.5
279.07938	0.6
296.83755	0.5
297.08255	100.0
298.08670	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	297.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
57.03453	1.1
58.00596	1.9
59.01381	43.2
60.01727	0.4
63.96255	0.4
64.97021	1.5
71.01384	26.7
71.05013	0.3
71.51902	0.5
72.01714	0.4
72.99313	3.2
73.02937	2.9
73.03228	0.3
74.99068	0.3
75.00874	25.9
78.95936	1.0
79.95763	0.6
80.96519	1.1
83.01385	1.5
85.02949	5.7
86.02482	0.5
87.00875	4.4
87.04533	1.1
89.02448	24.7
95.01402	1.4
96.96015	2.2
99.00889	3.7
101.02448	16.2
109.02948	0.4
111.00853	0.4
113.02449	8.2
115.04018	1.3
117.01945	4.9
118.22618	0.3
119.03500	10.0
124.00740	0.4
125.02429	0.3
127.04037	0.9
128.03511	0.6
131.03482	0.8
135.02997	2.0
136.94041	0.9
143.03511	1.2
149.04581	0.6
150.05592	0.8
154.90617	0.8
156.91043	0.4
161.04596	1.1
167.99760	0.9
178.95100	1.1
179.05690	2.1
187.06114	2.6
209.02956	0.4
224.95706	1.1
233.06648	0.7
236.06891	0.5
236.87131	0.4
237.06184	5.9
256.85892	0.5
279.07938	0.6
296.83755	0.5
297.08255	100.0
298.08670	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	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03440	1.3
59.01380	4.4
61.89660	0.4
67.74046	0.4
71.01390	0.5
96.52319	0.4
97.06567	0.6
113.09707	1.6
179.14412	1.6
181.12251	0.6
189.35365	0.4
195.13902	16.5
196.14188	0.7
197.08441	0.4
229.09590	0.4
249.35382	0.4
259.20758	0.4
277.21707	17.8
278.22028	0.8
295.22766	100.0
296.23148	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	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37465	1.2
59.01387	5.4
59.01620	0.8
69.33064	3.9
69.33488	3.7
76.10634	0.8
99.08129	1.1
110.88087	1.0
125.09685	2.2
133.01476	1.0
137.18471	1.0
141.12816	1.3
153.09196	1.1
167.19316	1.1
171.10260	45.5
172.10588	1.5
183.10240	2.3
221.79765	1.0
233.22714	1.3
256.97467	0.9
277.21698	53.7
278.21997	3.5
291.49026	1.2
295.22766	100.0
296.23132	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34710	0.5
57.03444	1.0
59.01380	6.6
61.98828	0.7
67.32471	0.4
69.21632	0.5
71.01385	0.6
86.21606	0.5
92.90025	0.5
98.20288	2.9
111.08161	0.6
113.09734	2.4
133.01395	0.9
177.12965	0.5
179.14308	0.8
181.12329	0.7
183.13905	2.4
186.70537	0.5
195.13901	19.8
202.13017	0.5
251.23773	0.8
277.21722	18.2
278.21985	1.2
278.43872	0.5
293.21313	0.6
295.22775	100.0
296.23163	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	295.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31255	0.4
57.03444	1.0
59.01378	100.0
69.99091	1.3
69.99491	1.1
71.01379	4.9
72.99299	1.3
73.02950	0.5
83.01433	0.6
85.02952	4.0
89.02460	1.0
96.96020	1.8
98.19901	0.8
101.02446	2.3
113.02471	1.4
115.00362	2.7
121.02979	2.8
122.06126	1.0
129.01997	0.7
129.05582	0.7
133.01422	6.1
133.02948	0.8
133.06656	0.5
135.04550	1.3
150.61261	0.5
159.02995	0.6
161.04541	1.0
164.07132	0.7
179.03535	0.9
205.05260	0.5
235.08328	0.6
235.11835	3.3
251.05670	1.0
262.86197	0.5
295.05164	0.8
295.08252	1.1
295.23657	0.4
296.11490	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19286	0.6
55.01892	1.2
57.03436	0.8
58.00581	2.6
59.01379	83.4
62.75620	0.8
71.01382	39.9
71.22392	1.0
72.99324	2.7
73.02952	1.7
83.01412	1.8
85.02943	9.2
87.00871	1.7
89.02445	44.0
89.06892	0.8
90.93903	0.7
95.01385	2.6
101.02444	25.7
101.53419	0.7
113.01260	0.9
113.02457	16.9
115.00388	3.9
119.03504	22.1
121.02964	1.3
121.23496	0.7
122.02390	0.6
129.05418	0.7
131.03514	1.4
133.01431	11.4
133.05107	1.3
135.04553	1.2
143.03523	1.8
149.04587	0.9
161.04512	3.4
179.03564	0.9
179.05606	2.7
266.15884	0.8
295.10349	100.0
296.10727	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	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
55.75406	0.7
57.03436	1.0
58.00594	1.7
59.01379	71.9
70.86063	1.4
71.01381	37.8
71.05019	2.9
72.01716	0.9
72.99297	1.8
73.02939	3.0
75.00864	2.2
77.06537	0.7
83.01384	2.4
85.02937	8.8
85.03411	1.1
87.00878	2.3
89.02444	41.6
92.05853	0.7
95.01382	2.8
96.11340	0.7
99.00919	1.1
101.02440	24.6
113.02446	14.3
114.05589	0.9
115.00381	12.9
115.04005	5.8
119.03493	14.5
119.33858	0.7
119.42998	0.7
131.03430	0.9
133.01472	1.1
133.05067	3.2
143.03514	1.6
161.04558	5.4
179.05624	3.3
183.87103	0.7
235.08228	2.7
237.06117	1.2
251.07680	2.8
251.91408	0.7
270.63733	0.7
295.01382	3.0
295.10333	100.0
296.10669	3.5
315.83069	0.8
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
57.03434	2.0
58.00571	1.5
59.01378	100.0
59.92511	1.4
64.76273	1.5
67.65302	1.7
69.88963	7.4
71.01384	30.0
72.41038	1.3
73.02942	6.8
83.01371	4.3
85.02951	12.3
87.00874	4.2
89.02446	19.3
95.01365	1.6
99.00887	2.3
101.02438	19.6
109.32193	1.4
113.02438	11.4
115.00367	6.5
115.03993	3.5
119.03482	4.6
121.02933	2.3
127.19324	1.3
129.01952	1.7
131.03488	2.9
133.01469	10.3
133.05040	2.0
134.03783	1.5
135.04509	3.2
143.03452	2.6
147.58633	1.3
153.84970	1.4
155.12433	1.5
161.04561	16.9
161.05777	2.7
164.75366	1.6
179.03485	1.8
179.05620	2.3
181.78973	1.3
235.08205	14.1
293.32034	1.5
295.07474	2.0
295.10422	34.2
295.13782	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	295.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.7
57.03447	20.3
59.01379	7.9
68.99829	0.5
69.33977	2.6
69.34388	0.9
71.01374	3.4
72.99308	1.9
73.02924	0.9
73.95088	0.4
77.09358	0.4
83.01385	2.9
84.02168	1.7
85.02950	100.0
86.03289	1.9
87.00902	0.4
96.96007	0.8
99.00927	0.4
101.02460	0.7
111.00880	7.0
112.38379	0.4
115.00385	0.4
121.02953	39.1
122.03289	1.3
129.01942	45.6
130.02286	0.9
131.04973	0.5
133.06598	1.5
135.04529	0.8
143.05019	0.9
161.06087	1.7
172.58664	0.4
173.00894	6.4
179.03714	0.4
189.05569	4.1
242.55537	0.4
251.05673	2.6
295.04688	1.4
295.14752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0458
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
54.33693	0.4
57.03441	1.0
57.64169	0.4
59.01379	8.1
69.16013	4.0
70.62712	0.4
71.01378	14.9
72.99305	2.9
74.15736	0.4
85.02948	3.9
87.00855	1.0
87.27713	0.4
89.02413	2.2
96.96014	1.1
98.19846	0.8
101.02464	0.6
101.87906	0.4
111.00865	0.7
115.00372	37.8
121.02941	2.9
129.01935	1.4
129.53464	0.4
133.01425	100.0
134.01735	2.1
134.03729	0.9
135.04527	13.5
141.23267	0.4
161.02446	0.5
161.06024	0.6
163.07675	0.4
179.03499	10.4
180.04008	0.5
189.05673	0.6
194.09000	0.4
203.03531	0.4
251.05586	1.1
258.78107	0.4
295.05127	0.5
295.08249	2.0
296.11331	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0459
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
55.01857	1.1
57.03448	2.3
59.01381	10.2
62.18643	0.9
65.46236	0.9
67.01876	1.0
69.42069	1.8
69.42487	4.1
71.01379	24.3
72.99309	39.7
73.02924	1.1
75.00870	8.8
75.95715	1.1
82.02975	1.0
85.02950	13.7
95.01386	1.2
96.96009	4.7
99.16093	0.9
101.53120	0.8
111.00864	1.8
121.02952	32.3
129.01930	6.4
130.02261	1.2
131.05106	0.9
133.06561	2.7
135.04529	14.0
137.09737	1.8
140.76263	0.9
147.04553	1.0
148.86993	0.9
149.02477	1.2
161.06023	1.3
164.07074	0.9
165.07513	1.3
170.58939	0.8
176.52306	0.8
179.03473	1.1
189.05547	2.5
189.94446	0.9
215.12912	1.3
235.07193	5.1
249.08434	1.0
251.05598	100.0
252.05968	4.2
277.08902	1.1
295.04620	2.6
295.09171	6.0
295.11917	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	294.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00570	2.3
59.01378	82.5
65.25523	1.9
65.84959	1.9
70.17995	7.5
70.18343	3.6
71.01382	53.3
71.05024	4.4
75.00876	4.2
77.73513	2.2
80.96495	2.1
83.01438	2.5
85.02947	10.1
87.00920	2.1
89.02445	84.3
95.01389	2.5
99.00865	2.9
101.02448	20.7
112.98769	2.2
113.02439	19.3
114.05606	100.0
115.00408	3.9
115.04033	12.0
115.05942	2.6
119.03493	18.7
121.34423	2.1
131.03532	2.4
133.05052	5.0
143.03461	2.9
144.06668	4.4
144.48219	2.0
149.04520	3.7
161.04503	6.1
179.05611	17.0
210.09456	2.4
251.07741	7.7
295.01392	3.3
295.06915	3.7
295.10318	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0985
Annotation	Nitrothal-isopropyl
Peak:m/z	Relative Intensity
54.83015	0.7
57.03435	2.0
59.01374	2.8
69.03452	4.6
70.30361	2.8
71.01379	1.4
72.00916	7.5
72.04542	1.2
72.99312	0.9
77.13926	0.7
82.02985	34.6
84.04551	1.4
85.02951	29.5
86.03278	1.0
87.00858	0.9
87.04554	1.0
91.05527	2.4
96.96017	10.9
98.02450	0.9
98.20403	1.7
98.95572	1.0
100.04044	20.0
101.01797	1.4
101.02445	18.2
103.05592	0.8
112.04057	0.8
113.02448	3.1
116.05024	1.1
118.06611	2.1
119.05013	2.3
120.05367	1.9
120.99651	1.2
121.02939	1.3
128.03529	3.2
129.01942	100.0
130.02274	5.6
131.05077	0.9
133.05101	3.6
136.99455	0.7
139.12497	0.9
147.04518	29.7
161.02446	2.5
161.09691	1.0
161.69107	0.8
163.03984	2.5
164.04372	4.2
164.07161	74.4
165.07507	3.3
186.09169	1.5
189.09203	1.0
214.08679	1.2
232.09827	2.3
250.10834	1.2
276.08749	38.1
277.09113	2.4
294.09821	24.5
295.08136	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	294.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.6
59.01373	3.3
69.03448	7.0
71.01367	1.9
72.00907	9.1
72.04539	1.2
72.99303	1.3
80.96566	1.1
82.02982	43.3
83.03339	0.8
84.04539	1.1
85.02949	30.7
86.03277	1.3
87.04504	1.2
91.05535	2.0
96.96011	15.8
98.95543	0.9
100.04046	23.2
101.02440	18.4
103.05515	1.7
106.88660	0.7
113.02466	2.6
118.06620	2.9
119.05036	2.2
120.05370	3.1
120.99664	2.1
122.21335	0.7
128.03542	2.6
129.01945	100.0
130.02271	4.5
133.02945	1.3
133.05084	3.5
135.04486	0.8
147.04517	28.8
148.04741	0.8
159.08058	1.1
161.02444	2.9
161.06137	0.9
161.09650	1.0
163.04016	2.4
164.04381	4.3
164.07164	83.2
165.07524	3.0
186.09291	1.1
188.10747	1.1
189.09157	1.3
213.95477	0.9
215.12791	1.2
232.09824	2.5
250.10757	1.7
276.08752	38.7
277.09079	2.3
294.09851	24.6
295.08176	4.2
299.93335	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
57.15675	0.3
59.01379	2.5
61.98817	0.6
63.09267	0.3
68.99570	0.7
69.03471	0.4
69.20566	2.3
69.20972	0.8
71.01373	0.8
83.05023	0.4
98.20293	1.7
101.89966	0.3
112.98557	1.2
157.08698	0.5
177.16441	0.4
193.16075	0.4
209.15482	0.9
219.21202	0.8
220.14661	1.0
221.15436	2.4
231.21196	1.4
232.62152	0.4
236.10533	1.8
237.18570	0.4
237.42191	0.3
245.19090	0.4
249.18735	1.6
249.22194	1.3
257.19058	0.5
263.20129	15.5
264.20490	1.2
265.21655	0.6
275.20139	35.2
276.20486	1.9
291.19769	0.5
293.21210	100.0
294.21512	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48462	0.9
57.74962	0.7
59.01383	4.1
68.99552	1.3
69.46529	5.7
71.01409	1.7
71.05033	4.7
87.04492	0.8
112.98572	1.8
113.78641	0.8
205.12480	1.2
209.15480	1.6
217.96791	0.8
219.17488	0.8
220.14612	1.1
221.15549	3.2
223.17056	5.4
225.57417	0.9
231.21054	2.7
235.17023	32.3
236.10493	1.1
236.17368	3.0
237.18600	3.2
249.18608	1.0
249.22472	0.9
256.21021	0.7
275.20154	38.6
276.20486	1.9
293.09009	3.9
293.21231	100.0
294.21564	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.1
59.01371	2.6
69.32377	8.2
69.32776	2.0
74.38821	0.9
98.20413	4.3
102.27798	1.1
112.98542	1.4
113.09759	6.8
121.10230	9.6
124.12034	1.1
167.10767	1.2
171.10255	23.1
183.10103	1.2
195.14005	1.3
221.15430	1.5
231.21165	2.0
237.18568	2.4
249.22295	1.4
275.20157	29.4
276.20435	1.9
293.21210	100.0
294.21609	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.26885	0.6
59.01380	1.0
63.42447	0.7
69.14163	0.6
70.26470	2.2
82.95821	0.7
83.04971	0.8
127.29222	0.7
128.63927	0.7
179.14474	1.5
195.13892	12.7
196.14658	1.3
205.12273	1.6
211.13495	0.9
223.13322	9.7
224.14165	0.9
228.13683	0.8
231.21162	1.3
255.66118	0.8
256.13165	4.2
262.65912	0.9
275.20175	8.0
286.84293	0.7
293.21231	100.0
294.21515	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
59.01366	4.5
68.70927	1.1
80.22879	1.1
91.43208	1.2
96.66982	1.2
97.69579	1.3
98.20133	7.6
121.10242	32.3
122.10520	1.5
125.09711	1.6
129.70856	1.2
171.10269	63.3
172.10538	1.8
183.10234	2.4
183.13939	6.6
185.11769	3.1
211.13356	1.7
223.07414	1.3
230.87692	1.3
231.21162	4.9
235.16925	2.0
275.20151	100.0
276.20578	6.7
293.21219	71.8
294.21594	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	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06803	0.5
55.01886	1.3
57.03433	1.3
58.00573	1.4
59.01378	47.6
69.83112	2.0
71.01381	24.4
72.99292	1.6
73.02949	1.6
83.01378	2.4
85.02951	7.6
85.06599	2.8
87.00867	1.4
89.02444	22.7
95.01377	1.9
96.96062	0.6
98.19932	0.7
99.00921	0.6
99.04472	0.5
101.02441	16.9
101.03111	1.1
113.02439	9.7
113.06097	6.0
119.03496	8.2
120.04608	0.6
128.03502	1.1
131.03539	0.5
131.07138	13.6
133.02907	0.7
164.07108	1.4
188.28738	0.6
196.10884	0.6
231.06595	2.1
263.68567	0.6
275.10587	0.6
293.12408	100.0
294.12769	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1429
Annotation	F-Amidine
Peak:m/z	Relative Intensity
59.01371	1.2
69.52328	0.7
69.52736	1.3
71.01401	0.5
79.95721	2.3
85.02943	0.3
87.00858	0.3
96.96008	100.0
103.53250	0.3
133.02959	0.4
134.03725	1.3
135.04549	0.3
135.59326	0.3
160.01823	0.3
178.02739	0.3
212.47392	0.3
222.80548	0.3
293.14264	96.4
294.14572	5.0
294.17584	0.5
296.01263	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.176
Annotation	Agglomerin C
Peak:m/z	Relative Intensity
69.72844	0.9
69.73246	0.4
71.01381	7.5
83.86250	0.2
96.95995	0.2
98.19932	0.4
105.12914	0.2
111.68814	0.3
127.07637	0.6
143.63060	0.2
148.05284	1.1
151.07639	0.6
164.08421	1.6
170.53281	0.2
177.09215	4.7
177.13028	0.3
190.10016	0.3
192.09854	0.4
192.11565	6.9
205.12334	6.5
207.13881	1.3
217.08794	0.4
218.09515	1.8
220.14677	48.4
221.15456	100.0
222.15796	4.9
231.17592	0.3
235.13351	1.0
236.10532	70.3
237.10924	3.1
293.17633	12.3
293.21161	1.4
294.17892	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
59.01400	0.9
61.91985	1.1
63.91221	1.0
70.33499	1.1
85.02950	38.8
93.03470	1.1
96.48932	1.0
96.96005	28.2
99.94345	0.9
101.02441	24.5
101.03522	1.2
119.04153	2.0
119.05025	48.3
129.01939	100.0
130.02293	1.3
147.02992	25.4
151.60767	1.0
162.39755	1.0
163.04004	75.5
164.04344	1.8
217.04884	1.0
228.93547	1.1
293.07242	1.2
293.10605	19.7
294.11212	1.2
311.16025	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.3
70.68714	1.6
72.64693	0.7
73.50898	0.7
85.02946	19.3
87.05096	0.7
87.11493	1.0
96.96018	0.9
101.02441	14.0
103.04003	8.2
119.05018	13.2
129.01939	86.1
130.02252	1.7
140.06367	0.7
145.02927	1.3
147.02992	100.0
148.03339	2.0
163.04004	16.2
267.70990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
57.75470	1.0
59.23272	1.1
67.01892	2.3
68.66066	1.1
69.48487	5.2
72.00910	6.0
72.04553	3.7
82.02985	70.0
83.01388	12.9
83.03249	1.2
84.04552	7.4
85.02966	3.1
91.05543	3.2
94.02966	5.6
96.96029	1.1
98.02483	28.8
98.20181	3.8
99.00873	1.8
100.04039	12.6
101.02440	2.0
103.05503	1.7
110.02442	1.8
111.03266	18.7
118.06618	6.0
119.05022	4.1
120.99622	1.4
126.01978	3.2
127.00381	10.6
129.01930	5.5
131.05006	2.0
135.04543	1.4
138.41467	1.1
144.08203	2.1
147.04524	35.7
159.08150	2.2
163.04015	4.7
164.07169	45.0
165.07477	2.0
184.07671	27.6
186.09248	15.2
202.08746	20.2
230.08203	21.0
231.08580	1.9
246.07701	100.0
247.08018	3.0
248.09285	3.0
274.07196	58.1
275.07535	3.3
292.05569	1.5
292.08337	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	292.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
57.03447	1.1
59.01374	25.3
61.98827	1.9
66.09605	1.0
67.01883	3.2
70.02972	1.7
71.01376	7.8
71.12531	0.9
71.53355	1.2
71.53736	1.1
72.00912	6.0
72.04549	5.9
72.99320	1.6
73.91824	1.0
82.02979	70.0
83.01385	12.2
83.03340	1.2
84.04543	8.6
85.02960	5.3
85.06602	3.3
87.00875	1.9
89.02441	6.8
90.49883	1.0
91.05540	2.2
94.02979	5.3
96.95996	3.7
97.09534	1.2
98.02475	23.2
99.00875	3.0
100.04050	10.7
101.02459	6.9
102.05595	3.2
103.05548	1.9
110.02481	2.0
111.03257	16.7
113.02443	2.9
113.06087	1.7
118.06629	4.8
119.03501	3.7
119.05022	8.3
120.99657	1.6
126.01971	4.0
127.00353	10.2
128.03508	4.8
131.05061	2.0
131.07141	15.7
133.02965	2.6
135.04521	1.3
144.08160	1.8
145.02971	3.9
146.04594	9.7
147.04518	32.0
154.01439	4.4
156.08220	1.5
159.08138	1.6
161.04526	1.2
163.03975	2.9
164.07155	40.7
175.03888	1.2
184.07669	22.6
185.08066	1.1
186.09204	14.8
202.08708	18.7
230.08206	21.0
246.07684	100.0
247.08012	4.0
248.09230	3.1
251.11235	2.6
261.38489	1.1
274.07166	51.2
275.07309	3.9
292.05203	0.7
292.08292	18.4
293.07040	1.5
293.09393	2.0
293.12418	32.5
308.41824	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92485	0.5
54.74133	0.5
57.03449	2.4
58.00594	8.7
59.01367	1.4
61.98830	1.1
62.87836	0.4
64.32018	0.4
69.03452	2.1
70.74415	0.9
70.74755	0.8
71.01397	3.2
71.05009	0.7
72.99296	0.7
73.02945	38.2
83.05009	2.8
84.02169	6.8
85.02953	2.9
85.06581	1.0
87.04530	0.8
95.05015	1.9
97.06583	4.3
99.08185	0.7
107.05029	0.8
109.06602	1.8
111.08156	3.8
112.98576	0.7
113.06056	1.1
121.02956	1.0
122.02790	0.5
123.08162	0.7
125.06081	6.9
125.09741	1.2
127.07639	1.5
127.11256	1.4
127.90092	0.5
129.09152	0.5
129.13478	0.5
137.09796	1.2
139.07648	6.2
139.11278	1.1
141.09254	0.7
141.12910	0.6
149.09703	0.7
149.13344	0.6
149.78181	0.6
151.11296	0.6
152.53975	0.5
153.09216	1.1
153.12851	1.6
155.14386	2.1
167.10675	0.6
167.14435	1.6
169.15947	0.8
183.13892	0.8
205.19595	1.9
219.17506	0.6
253.19650	0.7
255.21240	4.0
260.78397	0.6
261.22241	5.2
263.23767	8.6
264.24173	1.1
273.22214	24.8
274.22583	2.2
280.14270	0.6
289.21710	1.7
291.23276	100.0
292.20343	0.5
292.23590	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2329
Annotation	Androstan-3alpha,17beta-diol
Peak:m/z	Relative Intensity
56.69931	0.6
57.03444	2.7
58.00596	10.1
59.01379	1.7
60.26308	0.6
65.51529	0.7
65.77925	0.6
69.03454	1.7
71.01376	3.1
73.02945	38.6
81.03466	0.7
83.05009	3.1
84.02165	7.6
85.02955	2.8
85.06581	1.0
87.04517	1.0
95.05032	2.1
97.06610	4.6
99.08177	1.3
101.06110	0.8
107.05030	1.1
109.06583	2.0
110.93403	0.7
111.08162	4.4
113.06098	1.4
113.09753	0.7
125.06091	6.1
125.09734	1.0
127.07670	2.4
127.11263	1.4
137.09706	0.9
139.07642	6.7
139.11299	0.9
141.12932	0.9
149.09634	0.9
153.09232	1.1
153.12828	1.3
155.14418	2.2
163.11256	0.9
167.14352	0.7
168.76877	0.7
205.19670	1.1
255.21165	4.8
261.22238	5.3
263.23779	8.5
267.37677	0.7
273.22244	25.2
274.22574	1.9
289.21793	1.4
291.09183	1.4
291.23297	100.0
292.23596	8.6
297.01752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
52.94201	1.6
57.51493	1.4
59.01358	3.7
61.26459	1.4
61.81119	1.4
61.98814	5.7
62.76358	1.5
68.99561	3.2
69.03453	2.4
71.01385	2.3
71.53778	2.4
71.84121	1.4
73.02936	2.1
97.06587	77.7
112.98574	2.1
121.02988	1.7
183.13916	3.1
184.62529	1.5
193.12344	31.7
194.13034	3.5
211.13382	71.5
212.13702	2.5
263.20084	3.1
273.18527	5.3
291.19650	100.0
292.19986	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	291.2328
Annotation	Grevillol
Peak:m/z	Relative Intensity
51.26751	1.0
52.37114	0.9
59.01395	1.0
61.98831	7.8
66.20503	1.0
69.43610	7.7
69.49206	1.0
98.19865	1.1
112.98579	1.2
114.17790	1.0
209.01263	1.9
228.90556	1.0
291.09103	33.1
291.23285	100.0
292.09088	3.5
292.23590	7.6
295.13950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.2
59.01366	2.7
59.88717	0.6
61.98825	0.9
69.03458	2.0
70.70468	2.0
83.04987	1.3
93.03427	0.8
95.05003	0.8
106.08533	0.6
110.38176	0.6
111.08169	11.1
125.09625	0.9
137.09656	0.8
139.11208	0.7
167.10718	1.8
177.12885	1.1
177.71017	0.6
179.10765	1.9
185.02501	0.6
195.13864	6.4
203.14348	0.9
205.64149	0.6
247.20656	3.2
263.20078	1.5
267.78787	0.8
273.18619	3.7
291.19653	100.0
292.19974	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78217	0.6
55.30608	0.6
57.03448	1.2
59.01381	1.3
61.98828	0.8
64.88355	0.8
66.23806	0.7
69.03452	2.0
76.24170	0.6
89.16045	0.6
93.07088	0.7
95.58256	0.7
97.06563	1.8
104.44890	0.7
111.08177	1.8
121.10247	10.5
123.08173	1.6
123.79135	0.6
125.09698	6.6
125.10341	0.6
166.11407	0.7
185.11821	12.8
195.13913	1.7
197.11841	1.8
209.11807	1.0
211.13387	2.1
236.74258	0.8
247.20673	1.5
273.18695	2.7
291.19659	100.0
292.20038	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	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
50.73702	0.4
58.77713	0.5
61.98833	2.5
64.10194	0.5
66.50809	0.5
69.23322	1.7
69.23745	3.3
72.02866	0.5
73.02944	51.0
74.03273	0.8
74.27840	0.5
75.56523	0.5
84.30427	0.5
87.41238	0.5
98.20675	0.9
121.02940	1.1
291.19656	100.0
292.20032	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
57.03161	0.7
57.03447	14.5
59.01382	8.4
70.89497	1.1
71.01379	3.5
72.99308	2.6
73.02940	0.8
75.00882	1.9
78.08856	0.5
78.95897	1.7
79.25948	0.5
80.70103	0.4
83.01373	3.1
84.02168	2.9
85.02948	100.0
86.03280	1.7
87.00889	0.8
89.02441	0.7
96.96024	0.6
99.04505	4.9
101.02435	1.2
103.00374	1.5
110.98528	1.8
111.00872	4.0
111.04477	0.5
113.06099	0.7
115.00364	1.2
118.98055	0.6
120.99625	1.1
129.00983	0.6
129.01935	9.4
129.06517	0.5
134.51863	0.4
147.03001	9.3
163.02386	0.6
173.00938	1.5
191.01973	22.7
192.02400	0.6
194.38379	0.5
195.34772	0.5
209.02943	0.8
291.07614	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	291.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.6
64.71191	0.4
69.36858	3.0
79.95737	1.9
95.95254	1.3
96.96011	100.0
98.19979	1.3
98.20665	0.7
118.98739	0.5
121.19077	0.4
144.31586	0.4
204.07918	0.4
291.12708	82.0
292.13037	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	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.56746	0.4
55.96785	0.4
59.01370	1.4
61.98821	0.9
69.03450	0.9
69.37411	1.2
69.37830	2.1
73.78757	0.4
95.05073	0.6
98.20404	1.8
119.05052	0.5
121.02894	0.4
147.08035	0.4
148.08948	0.9
150.10550	0.8
155.74260	0.6
163.11244	0.9
165.12837	16.2
166.13141	0.5
176.12029	0.6
191.14365	0.7
193.12234	0.4
193.33315	0.4
209.15350	1.3
217.16006	0.6
235.17062	0.8
247.20689	9.1
263.20172	0.9
273.18585	6.5
291.19644	100.0
292.19952	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	289.093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.0
59.01365	8.1
69.03476	3.1
69.70737	11.7
71.01363	7.0
74.95225	1.9
76.50139	2.0
78.42590	2.1
82.02962	2.1
83.01392	3.2
85.02941	5.0
87.00877	100.0
88.01253	2.4
89.02455	2.2
95.05047	3.7
96.95998	2.0
97.06586	6.3
98.03719	2.7
99.00896	3.4
99.08157	2.8
100.30723	2.1
101.02477	2.2
103.30022	2.2
107.05030	6.1
111.08140	6.2
111.46550	1.9
121.06590	3.5
123.04502	5.5
125.06123	6.0
125.36748	2.0
127.04022	3.9
127.07692	15.5
129.01968	13.4
137.06093	4.4
139.07672	21.1
147.03017	11.2
149.06070	7.3
151.07681	2.4
155.07147	34.8
164.08684	2.2
167.07132	30.5
178.29803	2.2
199.06056	2.7
202.51541	2.4
209.84912	2.0
227.09172	7.0
245.10542	2.3
289.09329	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	289.1113
Annotation	Rotoxamina
Peak:m/z	Relative Intensity
65.93393	0.1
70.50496	0.1
77.13060	0.1
79.95731	8.6
94.98313	0.1
96.96008	100.0
97.95907	0.2
98.20665	0.3
100.53709	0.1
122.97554	0.4
202.47572	0.1
231.36441	0.1
237.46747	0.1
257.69888	0.1
281.22845	0.1
289.11136	65.2
289.51361	0.1
290.11469	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	289.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09519	2.6
55.00576	3.4
59.01377	7.4
69.86197	6.4
69.86602	9.2
71.01359	4.0
87.00875	100.0
89.02421	2.8
91.66923	2.9
95.05022	3.3
97.06578	9.2
107.05051	5.1
109.41969	3.0
111.04484	4.1
111.08125	4.3
123.04562	5.9
123.08157	3.9
125.06043	5.1
127.07651	13.8
129.01942	8.7
129.44360	2.9
131.12634	2.6
137.06023	3.5
139.07668	18.8
147.02988	11.7
149.06039	6.5
155.07141	37.8
167.07117	29.6
169.99149	3.0
227.09225	4.6
289.09259	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	289.0718
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.84032	0.8
53.01653	0.9
55.03371	0.9
57.03449	6.0
59.01371	1.0
68.82700	0.9
69.30991	2.2
69.31396	5.5
71.01374	1.1
76.38471	0.8
81.03468	4.8
83.01382	5.7
85.02937	1.2
93.03449	3.7
95.01347	1.2
95.05025	6.0
97.02952	10.2
98.19872	1.7
99.04557	1.3
107.05035	1.7
108.02150	2.2
109.02950	41.5
112.35320	0.9
113.02457	1.5
116.49878	0.8
121.02952	6.9
122.03736	1.8
123.04523	28.6
124.04800	1.2
125.02446	27.4
126.02763	1.0
132.02187	1.0
135.04520	3.9
137.02443	17.3
138.03255	1.6
139.04002	6.2
145.02953	2.1
149.02435	7.0
150.03143	2.5
151.00269	0.9
151.04002	14.6
159.04472	4.9
160.01653	1.4
160.05267	1.9
161.06082	7.2
162.03163	2.5
163.04042	1.5
164.01131	4.3
165.01936	5.4
167.03436	2.7
173.06047	2.1
175.03999	6.2
175.07597	3.1
177.05585	0.9
179.03491	7.8
185.06061	1.9
186.06862	0.9
187.03957	7.5
188.04802	5.8
193.69875	0.9
201.05524	2.5
202.06339	3.3
203.03618	1.5
203.07092	18.4
204.07579	1.1
205.05067	11.0
217.05035	1.6
221.04582	1.6
221.08182	6.3
227.07080	2.3
228.08934	1.2
230.05840	1.9
245.04372	2.6
245.08144	30.7
246.08455	1.9
247.02431	2.3
247.06149	1.9
271.06201	1.3
271.10840	2.7
289.03610	6.7
289.07141	100.0
290.07410	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	289.0054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.1
60.22126	0.9
61.62329	0.8
70.13112	2.4
71.01386	6.0
72.99301	2.7
73.01420	0.7
74.02460	1.0
74.99387	2.6
78.95906	34.4
79.95759	0.8
83.05032	1.0
85.01431	1.6
85.02947	1.2
86.06121	0.8
86.99397	0.7
87.00865	1.9
87.05615	0.9
89.08554	0.9
91.17050	0.8
96.29468	0.8
96.96043	15.5
96.96963	82.5
97.45509	0.8
97.62000	0.8
101.00945	10.2
101.02437	1.2
102.98869	1.5
104.03502	1.1
113.01011	1.9
114.98878	6.1
115.02438	0.9
117.00445	30.7
118.00648	1.0
118.11669	0.7
118.96640	1.2
125.00947	2.8
126.98893	5.9
128.96799	4.1
129.00412	1.5
132.98163	1.6
138.98022	3.5
141.00433	3.7
142.96637	2.7
143.01996	6.3
144.99910	3.3
151.00677	2.3
155.02003	2.5
156.99918	10.5
168.99945	37.5
170.00053	2.6
171.01535	1.9
172.01074	1.0
175.00993	3.8
182.99785	1.3
184.95955	0.9
184.97672	3.8
184.99406	5.0
187.00966	3.1
191.05629	2.3
196.99428	1.5
199.00887	11.8
200.01053	0.9
202.98738	3.6
217.02020	100.0
218.02214	7.1
226.98747	1.8
228.96498	0.8
228.98396	12.2
242.92134	1.8
288.92471	2.5
289.00479	1.9
289.03342	10.2
289.06741	2.2
290.03305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.3
69.03448	1.2
69.84673	1.7
71.01384	1.4
73.02943	0.8
79.01883	0.5
79.95722	1.8
80.96509	0.8
81.03436	0.6
83.01387	1.2
84.00928	0.4
85.02950	1.4
90.29180	0.3
96.96010	84.2
97.02937	1.0
99.00868	0.5
99.14870	0.3
101.02451	3.0
107.01388	0.7
113.02478	0.5
119.05363	0.4
120.99641	0.6
122.97583	0.7
123.00854	0.4
124.01667	1.0
125.02446	42.1
126.02734	0.9
132.75459	0.4
138.97058	0.6
139.05116	2.2
150.97040	0.7
152.98593	0.5
167.04611	3.7
180.98151	2.3
241.00267	3.1
257.06583	0.4
287.04416	100.0
287.08240	4.1
288.04736	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	288.1602
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01369	1.0
61.98819	0.6
80.65835	0.5
81.03458	0.8
91.79395	0.4
92.05072	0.5
93.03458	1.5
99.92576	0.5
104.10535	0.4
108.02189	0.4
108.04537	2.8
109.02944	4.4
119.08646	1.3
121.02936	0.7
124.01648	0.5
134.02486	35.7
135.03310	7.3
136.04044	35.2
137.02428	1.6
137.04387	1.3
148.04065	1.2
149.04839	1.1
149.53862	0.4
154.23659	0.4
176.03540	4.0
177.04211	0.6
190.05106	0.6
233.23592	0.4
272.12842	0.4
288.16043	100.0
289.15964	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	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
52.47640	0.3
53.64021	0.3
55.25424	0.3
57.03439	1.0
59.01376	1.6
60.22773	0.4
61.98837	1.9
68.18290	0.3
71.01382	0.3
78.95904	0.5
87.91402	0.3
93.10172	0.3
98.19870	0.7
123.22507	0.3
147.48830	0.4
223.20665	59.2
224.20979	3.1
241.21751	1.6
267.19641	33.4
268.19983	1.9
285.04382	1.8
285.20703	100.0
286.21060	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	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01372	1.5
61.98830	0.7
62.04271	0.4
68.99573	0.7
70.02972	0.8
74.06103	2.1
112.98544	0.8
117.07095	6.0
118.05072	0.8
120.54556	0.5
120.70560	0.5
135.68245	0.5
161.02599	0.5
240.23347	3.2
242.21233	1.5
261.54272	0.5
268.22800	0.9
269.15573	0.5
284.22180	0.6
286.23856	100.0
287.16519	4.8
287.24213	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	285.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25496	0.4
56.33980	0.4
59.01380	100.0
60.01709	0.7
71.01394	1.8
71.53429	0.4
71.53835	0.5
72.99298	0.4
74.99091	0.5
81.03447	0.5
83.05025	3.8
85.61634	0.4
87.00883	0.6
88.40965	0.4
89.02443	3.4
90.98621	0.4
101.02456	0.8
109.90667	0.4
113.02465	0.7
119.03555	1.0
119.05035	7.6
120.99658	13.8
121.02915	0.4
123.04586	0.7
124.04050	2.2
139.81233	0.4
163.04051	1.5
167.03517	1.1
179.03551	1.2
179.05594	0.9
193.04948	0.6
194.05821	1.0
196.34090	0.4
207.15065	0.7
209.08234	1.6
218.09804	0.4
225.16063	14.4
226.16423	0.7
259.12042	0.4
285.03967	0.7
285.09717	3.2
285.27200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0405
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.84539	0.2
59.01367	1.0
63.02392	0.7
63.23397	0.2
63.64747	0.2
65.00318	0.9
71.53848	0.3
71.54252	0.3
79.01879	0.3
83.01381	1.0
89.04482	0.2
91.01922	0.4
93.03465	3.0
95.01379	0.4
99.27321	0.2
102.15842	0.2
105.31244	0.2
107.01397	1.3
108.02155	0.5
109.02943	0.8
117.03473	0.8
119.01400	0.3
121.02975	0.4
123.00888	0.4
123.04517	0.5
131.05042	0.3
133.02940	0.5
135.00906	0.8
136.48978	0.2
137.02435	0.9
143.05052	1.2
145.02945	1.0
151.00339	1.5
154.04259	1.1
155.05029	0.8
157.02931	0.3
157.06602	1.1
159.04494	1.5
161.02463	0.7
163.00362	1.0
164.01169	0.3
165.01930	0.5
167.05037	0.7
169.01445	0.4
169.06538	1.3
171.04512	1.1
173.02368	0.6
173.05998	0.4
183.04472	0.3
184.05319	0.3
185.06090	2.0
187.04047	1.7
195.04504	0.5
199.03983	0.5
201.05524	0.7
207.04625	0.2
211.03984	1.6
211.13373	2.8
212.04710	0.3
213.05585	1.1
214.02664	0.8
215.03471	0.7
227.03537	0.8
229.05067	1.7
239.03537	1.6
241.04994	0.5
243.02896	0.5
254.48306	0.3
255.02979	0.6
256.03708	0.3
257.04532	0.9
268.03793	0.3
284.26782	0.5
285.04034	100.0
285.26974	0.5
286.01172	0.3
286.04382	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21198	0.3
59.01376	2.6
59.02773	0.3
61.98830	0.4
63.98199	0.3
71.01391	1.3
71.52850	0.4
72.99294	0.8
73.02954	1.2
74.02475	0.4
74.99090	0.9
78.95905	36.2
79.95747	2.1
80.96495	0.5
83.01405	0.4
85.02958	0.9
87.00867	0.5
93.03450	0.7
95.01375	0.3
95.05036	0.7
96.96960	100.0
97.06601	0.2
97.79975	0.3
99.00876	0.6
100.67632	0.3
101.02438	0.8
108.02179	1.1
109.02911	0.4
111.04424	0.4
113.02476	0.7
114.05584	0.6
118.24951	0.2
119.05026	1.3
120.99641	2.8
121.02950	0.9
122.03754	0.6
123.00888	0.4
123.04526	12.1
124.00739	23.3
124.04861	0.4
125.02444	0.4
135.04538	0.3
136.01802	0.3
136.99182	0.8
137.02417	0.5
139.04018	0.3
149.06052	0.7
151.04022	0.4
152.01112	0.4
161.04570	0.4
163.03973	0.5
165.05608	0.5
167.03494	0.6
168.99075	1.0
171.36897	0.3
178.06389	0.3
179.03439	1.1
181.04942	0.3
182.02197	0.4
194.05774	0.6
197.04501	0.7
209.08174	1.5
223.06085	0.5
260.76764	0.3
284.26688	1.6
285.03699	0.6
285.07047	2.2
285.09860	3.0
285.26959	0.9
286.03891	4.1
286.09329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1701
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
52.13697	0.4
53.90121	0.4
59.01378	2.8
60.63165	0.4
61.98832	0.6
71.01382	0.5
71.72529	0.3
85.79315	0.3
89.05606	0.4
98.19955	1.2
105.08652	0.4
107.05025	100.0
108.05370	2.5
123.04498	0.4
130.53885	0.4
163.11279	99.9
164.11598	3.8
201.02519	0.4
208.54680	0.4
223.07906	0.4
239.77086	0.4
268.03772	1.7
283.06393	1.1
283.17023	95.3
283.22855	3.0
283.26358	36.9
284.17361	6.6
284.26752	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01705	0.5
61.98842	1.3
64.00886	0.5
67.56776	0.5
71.01398	1.8
71.52589	0.6
77.93825	0.5
79.00778	0.5
79.36871	0.5
83.01418	0.6
85.02934	0.5
89.02451	0.9
95.33478	0.4
96.96046	1.2
97.20808	0.6
101.02456	2.6
109.18868	0.4
110.74819	0.5
113.02454	0.9
120.99662	0.5
161.04639	0.5
199.49628	0.4
221.10284	3.6
281.07019	1.5
281.24829	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.8
59.01377	25.8
65.33949	0.6
71.01396	1.1
71.54685	1.2
73.02968	1.1
83.05025	5.8
97.06590	3.9
104.60251	0.7
123.08184	1.9
137.09712	1.7
149.09746	1.1
151.11282	1.1
163.11287	8.9
165.12810	1.2
167.14383	0.9
177.12865	1.3
179.10739	0.8
179.14400	4.3
195.13893	22.6
196.14279	0.7
223.13388	18.6
227.03508	0.8
239.12848	0.8
241.14442	100.0
242.14804	4.4
253.06088	1.1
255.02809	1.7
268.03531	0.7
283.06088	1.1
283.10788	4.1
283.15515	8.3
283.26404	36.7
284.03192	2.3
284.26688	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	281.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48104	0.9
55.01877	5.7
57.03453	5.2
58.00587	4.2
59.01379	100.0
60.01708	1.5
60.87686	0.9
62.58975	0.9
70.44226	1.1
70.52831	2.4
71.01381	93.9
72.01711	1.0
72.99297	3.7
73.02557	1.3
73.02947	22.3
75.00845	1.4
83.01384	10.1
85.02950	29.9
87.00899	4.0
87.04490	3.3
87.12170	0.8
89.02443	57.7
95.01393	6.0
97.02946	0.9
99.00880	9.5
101.02444	70.9
101.06097	0.8
102.02767	1.3
105.02699	0.8
113.02455	36.3
119.02661	1.5
119.03500	22.6
119.07124	11.2
125.02432	2.1
129.01939	1.7
131.03493	3.5
133.05049	1.2
138.67926	0.8
140.87067	0.9
143.03508	7.7
149.04547	2.0
156.65451	1.0
159.03000	7.7
161.04556	44.7
162.04865	1.3
179.05652	5.6
197.35930	0.8
221.06578	0.9
243.06207	1.2
281.09027	3.7
281.12381	63.3
282.12769	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	281.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01379	7.7
60.22766	0.7
60.99311	7.0
69.39484	4.9
86.29350	0.6
93.03430	4.4
107.04976	1.1
119.05094	0.8
127.55301	0.6
130.37648	0.6
133.06595	1.3
143.08719	0.7
145.06564	1.8
145.10216	1.3
147.08197	0.7
155.04997	0.7
155.08705	1.1
156.05804	0.7
157.10222	100.0
158.10545	3.4
159.08134	1.5
159.58855	0.6
161.06047	1.2
161.09706	3.6
171.08171	1.4
189.09206	77.8
190.09605	3.3
201.09259	2.5
207.10243	2.1
219.10228	1.5
229.11470	1.0
233.08235	1.5
237.11279	7.5
238.07411	0.9
253.09763	0.9
265.06143	0.9
266.06851	4.0
281.09314	16.7
282.09564	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62300	0.5
57.03454	0.6
59.01378	19.9
60.01716	0.4
60.99274	0.5
67.51678	0.4
69.03448	0.4
71.01388	2.7
71.53962	0.5
75.00883	0.4
79.95737	1.2
80.96496	0.7
85.02941	1.5
87.00875	2.3
89.02448	0.7
93.03461	1.0
96.87048	0.4
96.96017	3.4
99.17456	0.4
101.02439	0.9
105.01957	0.5
113.02431	1.4
119.05019	2.5
121.02994	2.2
123.04484	0.7
123.27310	0.4
133.02950	1.9
134.03741	49.3
135.03012	1.6
135.04045	0.9
135.08163	0.6
137.02440	7.8
139.03998	2.8
149.02399	0.7
149.06075	17.5
149.07268	1.0
150.00078	0.4
150.03189	1.0
150.06400	0.6
161.04552	0.5
163.03979	1.5
175.11372	0.5
178.02716	39.2
179.03188	1.1
193.05058	100.0
194.05383	3.2
228.60921	1.4
229.11510	0.9
236.62595	0.5
237.07881	0.6
258.61981	1.6
259.12448	0.7
281.03241	0.9
281.06778	3.7
281.09949	1.3
281.13968	1.1
281.24908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.34083	0.7
70.37354	1.9
72.85278	0.7
91.82945	0.5
97.88646	0.5
135.04227	0.5
147.15460	0.7
279.23276	100.0
280.23624	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	281.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01116	0.6
59.01380	6.8
64.06206	0.6
69.85276	2.6
71.01380	3.5
72.99316	0.6
73.02956	1.4
85.02945	1.9
87.00871	1.6
89.02451	0.7
93.03416	0.6
95.01363	0.9
96.96008	9.5
101.02437	1.2
113.02442	2.4
119.04990	2.9
121.02973	1.7
121.82033	0.6
133.02937	1.5
134.03743	43.6
135.03084	0.7
135.04053	1.4
137.02423	7.0
139.03992	2.5
147.04515	0.7
149.06076	15.2
150.03236	1.6
150.06468	0.6
159.04512	0.6
163.04021	0.7
174.03220	0.7
175.32928	0.5
178.02705	34.5
179.03172	0.8
189.05453	0.5
193.05046	100.0
194.05408	3.4
201.11317	1.5
204.33850	0.5
219.06732	0.8
221.06595	0.7
237.07770	1.2
267.70624	0.6
281.06842	6.5
281.10071	1.3
281.24802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1084
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
50.63777	0.8
55.01859	1.6
56.69881	1.0
57.03429	1.4
58.00586	3.0
59.01378	66.2
59.22963	0.9
62.58153	0.8
64.03468	0.9
70.58121	1.5
70.58456	1.6
71.01380	32.9
71.05019	6.8
72.99304	3.8
73.02953	2.1
75.00879	0.9
76.11720	0.9
83.01383	2.1
85.02953	7.1
87.00871	5.1
88.98796	1.2
89.02445	42.5
90.02830	1.1
92.12001	0.9
95.01404	2.9
99.00876	2.4
99.04520	15.4
101.02439	22.6
102.05647	1.4
102.98630	0.9
105.01936	8.7
112.98814	1.1
113.02447	14.1
117.05573	43.5
119.03496	15.8
120.99587	1.2
128.03519	2.2
131.03494	1.8
134.04700	1.5
142.99806	1.3
143.03514	2.1
146.04578	2.0
159.06638	1.2
160.02663	2.1
161.04558	3.0
163.04068	1.4
179.05650	3.8
211.89845	1.0
215.04671	0.9
217.05130	1.1
279.10837	100.0
280.08380	1.7
280.11234	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.17823	0.4
59.01370	0.7
71.76505	0.4
83.27092	0.5
103.46968	0.4
103.99075	0.4
130.73558	0.4
174.26585	0.4
275.19913	0.5
277.21710	100.0
278.22058	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1085
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
55.01863	1.3
58.00588	3.6
59.01379	100.0
61.11866	1.0
66.83377	0.9
68.24001	1.1
69.61517	2.1
69.61927	3.3
71.01382	56.1
72.99301	4.3
73.02937	1.8
83.01375	2.5
83.58746	1.0
85.02948	11.4
85.84882	0.9
87.00879	2.9
89.02444	81.1
90.02750	1.0
95.01381	4.0
96.95990	1.4
98.20152	2.6
99.04523	20.4
101.02442	31.7
113.02449	22.9
117.05577	2.5
117.31870	0.9
119.02668	2.0
119.03506	33.7
125.02412	1.2
131.03496	2.9
134.04745	1.2
143.03508	4.9
149.04518	3.3
160.02660	4.3
161.04503	5.1
179.05594	12.1
234.95465	0.9
279.05807	1.1
279.10876	18.4
279.23196	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	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.61811	0.2
53.54860	0.2
58.06430	0.2
59.01382	3.6
61.98814	0.5
66.17071	0.2
68.67248	0.2
69.16210	0.2
69.16542	2.5
71.01397	0.5
83.05038	0.3
93.03413	0.2
112.98546	0.4
121.02970	1.4
125.08255	0.2
127.07648	0.3
141.09155	0.2
147.75792	0.2
154.67148	0.2
182.90276	0.2
182.93739	0.3
205.15970	0.8
233.22630	0.5
235.13400	0.4
259.20609	0.3
275.20041	0.5
277.18381	5.7
277.21701	100.0
278.18842	0.4
278.22061	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
65.00951	0.3
69.46710	2.5
69.47104	0.7
91.65862	0.3
96.19668	0.4
98.20270	1.5
100.80853	0.4
103.01985	0.4
134.89340	0.4
164.87013	0.4
172.71651	0.3
245.30431	0.3
275.19846	0.4
277.21704	100.0
278.22058	7.2
286.38062	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64716	0.3
59.01385	1.5
69.45364	1.9
75.05283	0.3
79.95732	6.4
80.96490	0.6
81.28635	0.3
95.95208	1.8
96.96011	82.1
101.04280	0.3
140.51280	0.3
143.05385	0.4
151.11301	0.8
155.16406	0.3
160.43558	0.3
162.36742	0.3
187.04152	0.3
195.10248	1.1
211.06773	0.3
231.06906	3.5
275.05936	100.0
276.06223	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.48211	0.4
59.01374	1.2
71.29794	0.4
71.30138	0.4
73.42586	0.3
83.05013	0.5
116.99426	0.3
117.95424	0.4
127.07594	0.4
128.84233	0.3
144.43608	0.3
164.30008	0.3
259.20667	0.8
277.21710	100.0
278.22034	5.3
295.54874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0391
Annotation	L-Tyrosine methyl ester 4-sulfate
Peak:m/z	Relative Intensity
54.36343	0.3
59.86971	0.3
66.82345	0.3
71.52532	0.3
74.99125	0.5
79.95730	18.2
80.96514	13.6
106.98108	1.8
107.04388	0.3
109.32533	0.3
114.85663	0.3
120.99640	1.1
121.99178	0.4
122.03728	1.6
123.08187	0.4
124.00738	100.0
131.19040	0.3
141.09230	0.5
154.02652	0.5
157.53108	0.3
166.05042	0.6
170.96001	0.3
176.03566	0.3
177.04297	5.0
178.05083	2.2
259.01541	11.8
273.13739	0.4
274.03894	64.3
274.13687	1.7
275.04187	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	271.1185
Annotation	(-)-Syringolide 1
Peak:m/z	Relative Intensity
51.73475	0.9
55.01861	0.8
57.03448	12.7
69.03442	3.3
69.86158	0.8
81.03451	2.7
83.04999	1.0
93.26822	0.9
95.05010	2.0
97.02941	2.4
97.06590	4.8
99.04518	2.2
99.08162	1.1
101.02419	1.8
107.05055	1.1
109.06601	15.1
111.04534	1.5
111.08134	0.8
123.04555	1.4
123.08154	12.1
124.05303	21.0
125.06065	1.1
127.07664	1.5
129.09229	3.8
133.06567	1.0
135.08165	1.6
136.05313	6.5
138.06935	1.1
139.07652	90.4
140.07980	3.1
149.09692	2.1
151.07652	43.8
151.11296	3.1
153.09232	9.5
155.44073	1.1
159.08092	1.5
161.09729	6.1
163.07652	1.4
163.11285	1.3
164.08318	1.8
165.09206	2.3
169.08705	5.0
173.09760	1.5
174.01744	1.1
175.07587	2.5
179.10783	48.8
180.11125	2.2
181.12332	4.5
189.09196	3.1
191.10754	14.1
192.11116	0.9
197.11746	5.0
207.10257	2.9
209.10262	0.5
209.11815	32.9
227.12869	33.0
228.13223	1.3
271.11853	100.0
272.12274	5.6
276.10986	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.7
58.00594	4.6
59.01378	16.3
69.03460	2.1
69.50745	1.7
69.51160	3.8
71.01382	2.2
72.99285	1.5
73.02939	2.6
80.02724	0.7
81.25716	0.7
83.01388	1.0
83.05031	2.0
84.02142	1.5
93.03476	0.9
95.04992	1.1
97.06588	12.1
98.19940	1.3
98.20598	1.8
108.02166	3.0
109.06574	3.1
111.04552	1.3
111.08160	37.2
113.06086	10.5
114.03632	0.9
119.05054	0.8
120.89832	0.8
121.06580	2.9
123.41713	0.7
125.06083	1.2
127.07658	5.8
135.08177	7.5
137.06058	2.9
139.07660	8.1
141.05585	13.2
143.07103	4.3
155.07152	12.1
173.08183	1.2
173.13321	3.1
174.01665	6.0
191.14525	1.9
213.05577	1.3
228.10262	1.2
241.05043	0.9
253.14482	4.6
256.07315	1.5
271.02612	1.8
271.15494	100.0
272.15845	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	271.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92258	0.9
51.22469	1.1
53.29654	0.9
59.01375	5.3
63.02399	1.6
65.00317	3.7
67.01885	0.9
71.01395	4.8
71.54292	1.1
72.99316	5.6
74.32016	0.9
80.38557	1.0
81.03487	1.4
81.23925	0.9
83.01394	4.5
91.05522	1.4
93.03481	4.4
95.05038	1.4
97.06595	3.5
99.00875	6.4
107.01400	6.7
107.05023	1.9
108.02175	4.5
109.06596	6.9
111.00876	1.4
111.08202	1.3
112.98820	5.7
115.00346	2.3
117.01946	3.1
119.05033	16.9
121.06611	2.4
125.06094	4.8
127.07639	3.0
133.01424	1.1
135.03044	1.9
136.05347	1.0
137.06096	4.7
139.07622	3.0
142.99870	12.5
149.06076	3.1
151.00368	17.7
153.05582	13.5
155.07138	1.9
165.01913	1.3
165.05528	3.8
167.07187	2.4
173.00899	3.0
174.01691	100.0
175.02267	1.6
177.01920	2.8
193.05046	6.1
205.32686	1.2
229.05080	1.4
241.04987	2.1
256.07300	1.5
267.13831	1.1
271.06009	24.8
271.08356	1.5
271.15933	2.0
271.19153	1.9
272.06476	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.6
59.01377	5.9
62.02329	0.9
68.99794	0.8
69.03434	0.8
70.84297	2.1
71.01378	9.5
72.99310	7.0
73.02942	1.3
80.02682	1.0
80.15598	0.9
83.01388	2.3
87.00855	1.4
89.02432	2.3
97.06564	6.4
99.00879	7.8
105.41375	0.8
107.05013	2.4
108.02178	5.4
109.02985	1.0
109.06574	4.4
111.00879	1.3
111.08170	1.2
112.98810	10.2
115.00359	3.1
117.01940	3.4
119.05018	1.1
121.06593	1.9
122.99232	3.8
123.08165	1.1
124.98804	3.8
125.06104	7.4
127.07666	4.2
135.04485	0.9
137.06081	7.0
139.07599	4.2
141.63486	0.9
142.99863	43.5
149.06026	4.6
151.07666	1.1
152.08458	0.9
153.05560	11.1
155.07126	3.0
165.05516	1.9
167.07140	5.0
173.00888	5.7
174.01691	100.0
175.02179	3.3
179.07184	1.5
193.05055	13.0
198.74959	0.8
211.06075	2.1
241.05011	1.0
253.05115	1.8
271.02536	7.0
271.05374	1.5
271.08264	1.8
271.15594	1.7
288.84744	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09219	0.9
59.01371	1.6
71.01342	2.1
71.01678	1.3
72.99298	1.9
81.67302	1.1
83.01387	1.7
85.02953	1.1
98.20116	0.9
99.00871	4.6
108.02164	1.8
109.06596	2.6
111.00902	0.9
112.98801	7.1
115.00356	1.7
123.08144	1.1
128.03539	0.9
137.06114	1.2
139.07680	0.9
142.99855	4.3
143.04628	2.1
153.05522	5.2
153.09200	1.2
159.40498	0.9
167.07141	1.8
173.00926	2.9
174.01691	100.0
175.02263	2.2
191.03596	1.1
193.05103	1.5
227.09094	1.7
255.00877	1.0
271.08224	1.7
271.11893	1.0
271.15253	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
57.03461	1.5
59.01379	1.0
61.98819	0.3
62.50679	0.2
69.03450	0.5
69.73379	1.0
69.73766	0.3
71.01382	7.5
73.02946	1.9
73.89828	0.2
74.51737	0.2
81.03452	0.4
83.01395	0.7
85.02946	3.4
89.02431	0.3
93.03464	0.2
95.01396	1.0
95.05041	0.2
97.02948	0.5
97.06609	0.3
98.19965	0.4
99.00855	0.9
99.04512	0.3
101.02451	5.1
107.05013	0.6
107.24050	0.2
108.02174	100.0
108.30762	0.2
109.02994	11.6
109.06592	1.1
110.03247	0.3
113.02444	3.7
113.03175	0.3
121.02982	1.0
122.03754	0.2
123.00906	0.6
123.04513	1.8
123.08121	0.9
124.05297	1.8
125.02452	0.3
129.01950	0.2
129.09264	0.3
130.08781	0.4
133.02956	1.1
134.03719	0.4
135.04536	0.5
136.05280	0.6
139.07652	6.4
143.03497	0.5
149.09732	0.2
151.04012	4.2
151.07645	3.1
151.11250	0.3
152.08000	0.2
153.09219	0.8
159.02986	1.1
161.04546	6.3
161.09749	0.5
162.01970	0.2
163.03984	2.1
165.09167	0.2
169.08727	0.2
175.07611	0.2
179.09189	0.2
179.10768	4.4
181.05009	0.2
191.10770	1.1
197.11755	0.4
207.10185	0.2
209.11797	2.4
227.12869	2.2
268.25626	0.2
271.08359	1.0
271.11862	6.9
272.12274	0.3
272.80716	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	(-)-Naringenin
Peak:m/z	Relative Intensity
52.99812	0.4
54.96092	0.5
59.01358	1.7
63.02396	8.4
65.00322	14.8
71.54406	0.5
73.16287	0.5
81.03502	0.6
82.85789	0.5
83.01380	10.8
85.24960	0.6
93.03461	12.6
95.01429	0.5
100.78800	0.5
107.01392	25.6
108.02190	2.8
109.02953	0.8
117.03381	0.6
119.05026	67.2
120.05363	2.1
121.02956	1.0
125.02444	1.7
142.12396	1.4
143.05061	0.6
145.02943	1.5
149.02451	0.6
151.00365	60.7
151.07520	0.5
152.00722	1.0
161.06029	1.4
164.00899	0.5
165.01942	2.7
169.01392	1.5
174.01671	1.9
177.01929	8.1
178.02176	0.6
185.06087	1.1
187.03963	1.7
227.07159	0.9
235.13298	1.2
238.13490	0.5
241.04971	1.0
243.19048	0.5
250.12053	0.7
253.14337	1.3
256.22223	0.5
257.48639	0.5
259.26773	0.5
271.06100	100.0
271.15494	2.4
271.19012	2.7
271.22443	0.8
272.06436	4.4
272.11423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.4
59.04583	1.7
60.89744	1.3
61.98817	3.2
69.49240	7.1
70.02975	37.5
71.01385	3.7
71.45991	1.1
71.80982	1.5
85.14833	1.5
86.53164	1.3
92.00151	1.2
96.99310	43.6
108.02186	2.7
114.01967	100.0
115.02331	2.2
123.08158	14.8
129.01947	1.9
140.10812	67.7
141.11165	1.3
146.04587	3.5
150.09262	2.0
166.12392	9.0
194.11835	15.3
208.01303	1.4
238.10829	55.2
240.01347	1.3
251.53452	1.3
270.13629	2.1
270.21567	2.0
271.13312	2.6
271.19089	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1295
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
59.01368	0.6
61.98815	0.7
70.89855	0.6
81.86575	0.3
89.02438	0.3
94.02991	0.6
98.20090	0.4
120.04546	2.3
134.06119	0.5
136.07686	0.5
211.08716	2.1
212.05832	0.5
212.09514	0.5
213.10281	0.4
225.06595	1.0
225.10333	3.5
226.10695	0.6
226.12459	1.0
239.08273	3.5
240.08818	0.9
241.13449	3.6
251.12025	1.0
253.09824	2.7
254.10585	8.2
269.12939	100.0
269.20676	1.6
269.24780	1.1
270.13260	5.7
286.09387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1029
Annotation	Pentamethoxyacetophenone
Peak:m/z	Relative Intensity
57.03450	4.6
59.01371	3.5
61.98814	0.9
64.03581	0.7
68.33652	0.8
69.03485	0.9
69.62580	1.6
69.62984	3.7
71.01376	2.2
71.04990	1.0
73.02937	2.6
77.06218	0.7
81.03471	4.0
83.05022	14.5
85.02948	1.1
85.06557	0.8
87.00845	1.2
93.03454	4.7
95.05035	2.4
96.00907	0.8
96.96010	16.6
97.02941	6.8
97.06596	3.9
98.20703	1.0
101.02386	0.9
102.21067	0.7
107.05016	1.4
108.02187	2.4
109.02962	5.9
109.06586	3.4
110.03733	3.6
111.04516	26.3
111.08192	1.2
112.05335	1.0
113.06054	0.8
115.01041	0.8
121.02956	50.7
122.03725	0.8
123.04517	5.1
123.08150	12.9
124.05267	2.9
125.06082	1.8
128.03528	2.8
132.19038	0.7
135.08170	2.5
135.74315	0.7
137.09731	1.5
138.06862	2.2
139.07640	3.1
143.08238	0.7
143.28758	0.8
147.04536	1.2
149.09711	27.1
150.09979	1.3
151.03969	1.3
151.07666	3.9
151.11296	1.0
159.08205	0.9
161.09686	3.7
163.07639	1.9
163.11272	3.0
164.08374	1.1
165.06772	1.1
165.09230	4.8
167.10779	32.8
168.11108	1.6
177.09203	32.0
179.10759	10.3
181.08652	1.1
189.09244	4.2
189.11276	3.2
192.08025	0.8
193.06166	1.5
193.08664	0.7
195.10277	7.7
197.11798	2.5
207.10199	5.5
223.09770	1.5
225.11227	0.9
233.08147	2.3
239.09241	13.4
240.09459	0.9
251.09251	14.5
269.07089	14.2
269.10269	100.0
269.21143	3.3
269.24747	1.6
270.10593	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39579	0.4
58.94149	0.3
69.37225	2.9
76.99606	0.4
98.19948	0.9
98.20587	1.0
116.19963	0.4
118.20809	0.4
120.48424	0.4
120.99657	100.0
121.99984	1.1
123.04472	0.4
164.39159	0.4
181.03262	1.9
251.08540	0.4
269.04819	2.1
269.09937	0.4
269.21304	1.1
269.24756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.7
87.00877	11.0
107.01374	3.0
121.02974	1.3
123.00887	1.7
125.02457	0.6
151.00360	16.1
166.02708	85.3
167.03069	1.7
180.04411	0.8
181.05058	100.0
182.05391	2.4
182.22081	0.7
192.04295	1.0
192.82443	0.6
207.06581	1.0
210.05339	0.7
225.07639	1.3
269.06543	3.1
269.21213	2.1
269.24783	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
57.03437	1.8
58.00601	2.0
59.01381	30.3
60.01698	3.0
61.01810	4.7
67.18237	0.8
70.18191	1.7
70.18581	2.0
71.01380	19.3
72.01700	1.4
73.01788	1.8
73.02930	2.7
83.01372	1.3
85.02947	13.8
86.03281	1.0
87.00877	100.0
87.03345	2.8
89.02444	15.5
91.02849	2.1
95.01373	2.6
98.20212	2.2
101.02435	13.5
103.02881	2.0
103.04006	11.2
104.04321	2.8
105.04421	5.5
105.05567	1.9
113.02434	7.8
114.02661	0.8
115.02857	1.4
119.03532	4.6
122.33248	0.8
136.42197	0.8
143.03526	0.8
161.04593	4.8
161.05762	0.9
179.05580	1.3
208.62933	0.9
267.07166	5.4
267.09726	63.3
268.09964	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	266.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37732	0.4
59.01374	1.9
64.78394	0.4
71.01382	5.6
71.30143	0.4
71.30456	0.6
74.12913	0.4
83.71044	0.4
88.04042	47.0
89.04346	0.6
96.58913	0.4
101.02420	0.7
105.01942	6.2
107.05035	8.0
114.01960	2.4
115.00375	13.1
117.31703	0.4
132.03027	100.0
133.02930	11.0
150.05608	13.6
150.06801	0.5
151.04025	3.8
156.78331	0.4
161.02431	2.0
213.94121	0.4
258.77216	0.4
265.55383	0.4
266.06696	20.5
266.09531	1.5
267.06970	0.7
288.23459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0721
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
55.01869	1.0
57.03437	1.8
58.00601	2.0
59.01381	30.3
60.01698	3.0
61.01810	4.7
67.18237	0.8
70.18191	1.7
70.18581	2.0
71.01380	19.3
72.01700	1.4
73.01788	1.8
73.02930	2.7
83.01372	1.3
85.02947	13.8
86.03281	1.0
87.00877	100.0
87.03345	2.8
89.02444	15.5
91.02849	2.1
95.01373	2.6
98.20212	2.2
101.02435	13.5
103.02881	2.0
103.04006	11.2
104.04321	2.8
105.04421	5.5
105.05567	1.9
113.02434	7.8
114.02661	0.8
115.02857	1.4
119.03532	4.6
122.33248	0.8
136.42197	0.8
143.03526	0.8
161.04593	4.8
161.05762	0.9
179.05580	1.3
208.62933	0.9
267.07166	5.4
267.09726	63.3
268.09964	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	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44833	0.1
52.35281	0.1
55.01880	0.3
55.55753	0.2
57.03444	1.6
58.00598	0.7
59.01379	19.7
60.01694	0.2
60.50312	0.1
69.16035	0.4
69.16465	1.0
71.01381	9.2
72.99313	0.5
73.02933	0.4
83.01397	0.5
85.02949	10.7
87.00892	0.5
87.04517	0.2
89.02444	9.2
93.15575	0.2
95.01371	0.8
99.04520	0.3
101.02443	6.1
101.06126	0.2
103.04012	16.9
104.04324	0.3
113.02451	3.8
117.05571	0.3
117.48255	0.2
119.03498	4.2
122.55907	0.2
128.68478	0.2
131.03529	0.4
143.03490	0.4
145.05038	0.6
149.04570	0.2
161.04558	0.5
179.05626	0.8
212.06059	0.2
215.45961	0.2
265.09277	100.0
266.09592	4.2
266.12418	0.2
266.75241	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	265.2172
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
57.21865	0.4
57.31178	0.5
59.01387	3.0
71.01376	1.9
79.95728	0.7
85.02940	1.9
89.02454	1.4
90.37977	0.4
96.96008	34.8
101.02434	1.3
103.04011	3.0
113.02463	0.8
113.29140	0.5
119.03477	1.1
133.02908	0.5
178.84708	0.7
193.01323	0.5
247.20648	0.8
265.09280	8.5
265.14792	29.6
265.21698	100.0
266.15067	1.6
266.22018	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31429	0.4
57.03444	1.6
58.00588	0.9
59.01377	19.3
65.78734	0.3
70.53226	1.2
71.01379	8.8
71.13902	0.3
72.99304	0.6
77.35862	0.4
83.01381	0.6
85.02945	11.2
87.00871	0.8
89.02447	10.6
95.01377	0.9
101.02439	6.3
103.04010	17.6
113.02464	4.5
117.05588	0.5
119.03478	4.6
119.04233	0.4
143.03510	0.6
145.05055	0.7
145.06349	0.3
152.61082	0.4
157.84732	0.4
168.93355	0.4
179.05623	0.8
180.96762	0.5
185.09459	0.4
248.21608	0.3
265.09271	100.0
266.09637	3.8
280.42169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93703	0.4
57.03439	2.2
58.00586	0.9
59.01376	25.7
62.68307	0.4
69.16138	3.7
69.16469	0.6
71.01381	10.4
72.99304	0.7
73.02938	0.4
75.37795	0.3
83.01392	0.9
85.02946	12.8
87.00889	0.8
89.02445	10.0
95.01385	1.1
97.00156	0.4
101.02440	6.6
103.04011	19.3
113.02460	4.8
119.03486	3.7
145.05048	0.7
172.29704	0.4
179.05620	1.0
265.09262	100.0
266.09583	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	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69481	0.3
59.01380	100.0
59.07723	0.4
60.01712	0.7
69.68461	2.3
70.02980	0.6
71.01382	0.8
73.02942	0.8
83.01389	0.6
87.00921	0.5
96.96024	1.0
98.20006	0.9
98.20618	0.9
101.02486	0.8
104.83241	0.4
109.02943	0.6
113.02456	0.9
114.01988	4.6
115.00375	0.4
117.03516	0.4
134.06149	0.6
137.02483	0.6
143.03516	0.5
160.07483	0.5
175.03979	0.5
175.07603	0.4
183.10318	1.3
219.06552	0.5
219.10222	0.7
263.05783	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	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01386	1.9
61.98846	0.4
70.37379	0.7
71.01390	0.7
77.36579	0.3
83.05025	0.3
120.42536	0.3
125.40159	0.2
135.06898	0.3
145.19722	0.3
146.87938	0.2
179.31839	0.3
219.17570	0.4
219.21124	0.7
245.19035	0.7
250.92528	0.3
261.18591	0.5
263.20142	100.0
264.20505	5.5
278.80219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01702	0.7
69.43591	2.3
71.01399	0.4
73.02967	1.0
74.77734	0.3
78.66348	0.3
85.03030	0.3
101.02469	0.6
105.75964	0.3
111.51632	0.4
125.47351	0.4
131.19492	0.3
131.34001	0.3
143.96252	0.3
170.19397	0.3
219.10318	0.5
223.63550	0.3
263.09296	0.4
263.13235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01698	0.8
68.63157	0.4
69.17792	3.8
73.02936	1.1
90.98001	0.4
98.20081	1.7
98.20795	0.6
147.61987	0.4
168.02467	0.4
168.18773	0.4
182.20674	0.4
207.14183	0.4
269.19989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04916	0.4
59.01377	100.0
60.01723	0.7
71.01373	0.7
71.54424	0.5
73.02964	1.4
81.81156	0.4
85.02993	0.5
95.84686	0.6
95.89426	0.4
99.00934	0.5
101.02452	0.8
118.56468	0.4
121.03021	0.4
153.02696	0.4
155.77910	0.4
191.76164	0.5
263.12949	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58541	0.5
59.01378	100.0
60.01704	0.8
64.37546	0.4
69.22173	1.5
69.22591	3.3
71.01362	0.6
73.02959	1.2
85.02943	0.7
96.96013	5.7
98.19987	1.4
98.20666	1.2
175.07639	1.0
190.07747	0.5
219.01930	0.5
219.06670	0.8
243.37167	0.5
248.45586	0.5
263.05994	2.4
263.09497	1.2
263.12921	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40131	0.3
59.01381	100.0
60.01709	0.6
69.39478	1.3
69.39902	0.7
69.69470	0.3
71.01366	0.4
73.02943	0.9
74.28895	0.3
83.01431	0.3
98.20628	0.5
101.02455	0.6
225.72803	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01717	0.4
60.19910	0.5
71.01378	0.8
73.02975	0.6
92.05063	2.6
96.96047	1.3
101.02470	1.0
126.05623	0.6
140.00455	0.4
172.40034	0.4
173.09927	0.5
263.05759	1.6
263.10281	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01722	0.9
69.35471	0.4
69.52820	0.9
69.53226	2.3
70.02990	1.7
71.01405	1.0
73.02951	0.8
77.69278	0.4
91.05537	0.6
96.96030	0.9
101.02480	1.1
105.60502	0.4
113.02467	0.9
114.01965	11.7
117.03458	1.2
134.06114	3.0
143.03471	0.5
146.04610	0.5
159.04543	0.6
175.07680	0.8
177.90817	0.4
201.53944	0.4
219.05994	0.9
232.06180	1.9
243.21097	0.5
263.05670	1.1
263.12909	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
71.01411	0.8
73.02943	1.3
73.57493	0.5
91.87281	0.5
92.77893	0.5
96.00902	0.5
96.96020	0.5
97.64709	0.4
98.20714	1.4
101.02493	0.5
119.05026	0.6
123.00845	0.7
124.01683	0.8
163.04056	0.9
188.07201	2.6
190.02737	1.1
219.06668	0.7
263.05725	2.0
263.12836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49924	0.4
59.01380	100.0
60.01733	0.6
64.49951	0.5
69.63973	0.7
69.64384	2.3
69.70226	0.4
71.01391	1.3
73.02953	0.9
79.51566	0.5
80.90117	0.6
82.37800	0.4
83.01422	0.6
83.40221	0.4
85.02950	1.1
94.03016	0.9
96.04610	0.6
96.96024	2.4
101.02421	2.5
107.51692	0.5
109.02950	1.3
113.02489	0.6
133.02979	0.6
159.04558	1.0
161.04593	0.8
175.04057	0.9
175.07634	2.8
183.10219	1.2
219.06635	1.7
219.11366	0.7
220.03912	0.8
221.10197	2.5
263.05545	4.1
263.09903	1.1
265.82578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
69.41011	2.0
69.41438	1.7
71.01382	1.2
73.13680	0.5
89.11971	0.5
104.17913	0.6
118.96378	0.6
123.00935	0.8
147.04584	1.8
154.25432	0.5
163.04039	1.1
178.08777	1.3
190.02788	1.6
196.26802	0.6
219.06787	0.6
219.10332	0.8
261.17612	0.6
263.05753	1.8
263.09714	0.7
263.13089	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.9
59.01394	1.4
69.03444	4.2
70.02954	1.9
70.63092	3.3
71.01376	4.9
72.00881	1.8
72.99291	1.3
73.02925	1.6
73.32821	1.1
75.00876	1.6
75.98619	1.1
79.01872	1.1
82.02958	2.8
84.04547	1.5
85.02947	73.2
86.02472	4.0
87.04514	6.3
94.02946	1.3
96.04549	100.0
97.02948	9.0
98.02499	1.3
99.00879	4.6
100.04011	1.1
101.02449	1.4
105.01912	2.7
111.04516	2.1
112.04059	5.4
114.05618	2.0
115.04005	4.8
122.02453	1.4
126.05614	2.5
127.08773	2.7
128.03540	25.9
129.01941	22.9
129.99344	1.1
135.02980	3.1
140.03517	7.3
141.01941	7.2
142.01433	8.2
144.03065	1.4
158.04582	19.7
159.03006	2.7
165.04054	6.6
171.07741	22.5
172.02475	3.2
172.06094	2.9
200.05630	5.2
202.03546	4.2
219.05116	4.1
253.03546	1.1
262.05667	7.8
267.62680	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	5.3
59.01375	4.1
66.03516	1.2
68.99567	3.1
69.03458	7.7
69.48621	7.4
71.01383	6.1
72.00900	1.2
72.99360	1.0
73.02945	1.3
79.01888	1.0
82.02987	2.1
84.04549	1.3
85.02944	74.5
86.02483	4.1
86.06142	1.2
87.00874	1.5
87.04522	6.0
88.04033	1.8
89.02441	1.4
94.02982	2.4
95.01376	1.3
96.04551	100.0
97.02943	11.5
97.04884	2.0
98.02485	2.6
98.20718	1.9
99.00867	6.7
99.04458	1.0
101.02455	1.8
102.05603	1.1
111.04506	2.1
112.04053	4.6
112.98580	3.4
114.01938	1.0
114.05599	2.6
115.00352	1.3
115.03986	4.8
126.05607	2.9
127.08786	1.9
128.03537	20.6
129.01944	23.3
140.03493	7.7
141.01930	6.1
142.01457	4.1
144.03020	1.5
144.06674	2.8
145.96695	1.1
158.04570	20.3
159.02989	2.4
171.07753	14.9
171.74339	1.0
172.02509	3.1
172.06108	3.3
175.04312	1.9
184.02434	1.1
200.05562	2.6
201.04016	1.8
202.03528	4.5
218.06721	1.2
219.05077	4.3
262.01300	1.5
262.05539	6.5
263.05829	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	261.088
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
50.89231	0.5
54.00045	0.5
54.53323	0.5
58.02974	0.7
59.01378	4.9
62.46524	0.5
65.34382	0.5
70.02980	10.5
72.04549	4.7
74.02475	100.0
75.02818	0.6
78.79819	0.5
79.95750	0.9
84.04556	1.0
96.95999	2.4
98.02480	26.3
98.19958	1.4
98.20605	1.2
98.95579	0.5
116.03540	55.6
117.03862	0.9
128.03551	6.1
131.03816	0.6
132.04559	35.2
144.04559	5.9
158.06049	1.3
173.07199	1.4
175.08768	2.1
201.06688	12.6
202.07106	0.9
215.86577	0.6
217.09798	1.5
219.07755	3.6
243.07700	1.7
260.53824	1.5
261.00821	0.9
261.08795	38.4
262.09186	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	261.0073
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
53.30648	0.7
53.89579	0.8
59.01353	0.8
61.70942	0.8
68.33193	0.8
72.99304	12.7
75.00874	1.8
79.88111	0.7
79.95732	6.8
81.03445	1.5
93.03452	21.1
96.96025	4.0
107.05023	1.6
112.99569	0.7
119.05028	39.7
120.05363	1.4
120.13383	0.6
123.04507	0.7
132.21970	0.7
135.04526	25.2
137.06102	0.9
163.04012	28.6
168.26303	0.8
181.05061	71.0
182.05377	1.0
199.00696	15.4
208.96553	0.7
215.00171	6.9
260.53751	1.2
261.00717	100.0
262.01089	3.1
262.07431	0.7
264.39539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14770	0.5
57.64960	0.6
59.01378	4.7
69.35864	2.6
69.36287	2.1
78.95898	0.7
80.02673	2.0
81.03442	1.6
83.05025	5.3
84.02158	3.2
85.02983	0.6
95.04994	0.7
98.02465	1.5
102.58287	0.5
112.18282	0.6
114.46976	0.6
135.08125	1.2
158.04585	0.6
163.11270	4.7
165.12871	2.8
181.12469	0.6
191.10783	1.2
209.11818	100.0
210.12192	3.0
215.11873	1.1
227.12871	10.9
237.11382	1.8
259.10770	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	259.0224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77893	0.3
55.72144	0.3
59.01378	0.4
71.01378	0.8
71.21777	0.6
72.74870	0.3
73.02908	0.3
74.02465	0.9
78.95901	100.0
80.06344	0.3
80.96480	0.8
81.74438	0.3
84.00889	0.3
87.05650	0.8
96.96959	93.7
101.02436	0.7
109.06602	0.4
117.00408	0.5
127.07630	0.4
138.97003	0.7
138.98015	5.2
141.00410	0.4
150.98010	0.5
168.98953	1.9
187.00989	1.5
197.05771	0.5
198.92191	0.6
199.00146	3.3
213.05150	0.8
216.90576	0.7
223.00156	0.6
231.05168	0.4
241.01219	2.8
241.03563	0.4
258.92166	0.5
259.02219	29.8
260.02579	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06768	0.7
57.03448	0.9
59.01380	25.5
69.03453	1.9
69.21134	6.0
69.21542	0.9
70.02962	1.3
70.27861	0.6
71.01377	8.8
83.05026	1.0
87.04508	1.5
88.04039	100.0
90.30093	0.7
96.99319	3.1
98.20695	1.5
114.01961	3.8
115.00368	17.9
117.41286	0.7
121.31573	0.8
132.03020	9.5
135.08133	0.8
142.12372	44.8
143.10782	17.8
143.12665	0.9
144.11116	0.9
161.09842	0.7
168.14041	0.7
186.46777	0.8
196.13463	2.5
214.14461	15.3
228.10852	2.5
236.12433	2.3
240.12465	4.1
244.32285	0.8
258.13531	81.4
258.62198	1.6
259.13867	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.5
68.90904	0.2
69.03459	1.8
69.57494	0.6
69.57896	0.8
69.80442	0.2
71.05027	0.3
72.99300	0.2
73.02969	0.3
74.89697	0.2
81.03409	0.2
83.05019	0.3
95.05016	0.3
95.47633	0.2
97.06591	0.7
99.04524	0.3
109.06583	0.6
116.34146	0.2
120.99609	0.2
121.06562	0.4
123.08175	1.2
128.25415	0.2
137.09720	6.5
149.09718	1.0
151.11317	1.2
152.77731	0.2
153.09195	1.0
153.12886	1.7
161.45541	0.2
163.11296	1.5
165.12843	3.5
167.10835	0.3
175.11272	0.4
177.09206	0.3
179.10719	0.6
181.12346	5.7
183.13896	6.9
191.10777	0.5
193.12338	2.0
211.13388	11.2
212.13596	0.3
221.99797	0.2
239.12929	0.4
239.16692	0.3
255.12292	0.3
257.13940	100.0
258.14276	5.2
269.05209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48671	0.9
57.03450	27.9
59.01385	1.2
69.03432	1.8
83.05011	5.9
85.06594	3.1
92.82274	1.0
95.05061	2.2
95.19285	0.9
97.02961	1.6
98.03728	8.3
98.19867	2.1
98.20539	3.9
101.02448	4.7
109.06585	1.7
111.08151	0.9
112.05252	0.9
123.08160	4.6
124.05293	11.3
137.09720	11.5
138.06862	5.4
139.07652	34.5
139.11209	1.2
140.08327	1.0
149.09671	3.1
151.07629	3.8
151.11293	1.1
153.08107	0.7
153.09222	19.5
155.10782	100.0
156.11116	3.2
161.09612	1.7
165.12863	2.1
167.14453	0.9
177.12842	1.3
179.10767	6.9
185.15460	3.8
195.13902	17.8
195.15582	1.5
199.09763	3.1
208.03581	0.8
210.36646	0.9
213.14963	58.6
214.15366	1.4
239.12909	3.9
257.13943	93.5
258.14267	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	257.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.0
68.69141	0.2
69.03469	1.3
69.33401	0.2
70.16016	0.8
70.16393	0.5
71.05016	0.4
72.99298	0.3
73.02946	0.4
74.87920	0.2
83.05035	0.4
97.06583	0.5
102.56847	0.2
109.06566	0.6
121.06593	0.4
123.08141	1.4
135.08200	0.2
137.09720	5.4
139.11308	0.3
149.09673	1.2
151.11253	1.0
153.09209	0.8
153.12840	1.1
163.11247	1.5
165.12848	3.4
167.10719	0.4
179.10764	0.4
181.12360	4.7
183.13889	7.1
191.10846	0.3
193.12303	1.5
197.17934	0.3
200.52841	0.2
211.13380	10.7
212.13739	0.4
239.12834	0.3
255.12346	0.5
257.13934	100.0
258.14282	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	256.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
60.28171	0.2
60.84792	0.2
69.71963	1.4
70.02975	1.1
71.01379	7.3
88.04040	100.0
89.04391	1.0
91.67434	0.3
92.50659	0.2
96.99317	2.3
102.05611	0.6
102.63033	0.2
107.16559	0.3
108.66035	0.2
114.01963	4.4
115.00375	15.5
123.08103	0.4
132.03026	29.6
133.03386	0.3
140.10817	4.4
141.09215	7.7
166.12341	0.5
168.26279	0.2
168.44772	0.3
172.21188	0.3
186.15225	0.2
186.57405	0.3
194.11806	0.8
212.12889	6.3
238.10820	2.1
256.11896	55.6
256.23611	1.2
257.12216	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	257.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	24.8
59.01379	1.4
61.95397	0.8
69.03454	2.2
69.96751	4.4
71.92328	0.8
83.05016	5.2
85.02924	0.9
85.06593	3.4
86.62492	0.8
95.05035	2.4
95.08636	0.8
96.60230	0.9
96.96001	1.3
97.02922	1.5
98.03728	7.7
100.47522	0.8
101.02438	3.0
109.06580	2.3
111.08143	1.3
112.05339	1.0
123.08177	3.9
124.05302	8.9
127.56243	0.8
137.06024	0.9
137.09724	10.9
138.06874	4.1
139.07649	33.4
139.11295	1.1
149.09709	3.3
151.07639	3.1
153.09200	17.4
154.09534	0.9
155.10774	94.9
156.11101	3.3
161.09639	2.0
162.88670	0.9
163.11061	1.0
165.12849	1.8
166.44528	0.8
177.12822	1.8
179.10745	6.8
183.14012	0.9
185.15439	3.5
194.48247	0.9
195.13885	17.6
199.09732	1.9
213.14952	54.3
214.15314	1.5
239.12845	3.2
257.13928	100.0
258.14191	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	254.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16101	0.3
56.69682	0.3
59.01383	2.2
61.98830	100.0
69.59935	0.3
70.20184	0.9
70.20525	0.4
71.11122	0.3
94.60278	0.3
104.40271	0.4
110.45450	0.3
129.33749	0.3
142.99826	0.8
205.09656	0.3
231.63795	0.4
255.23335	0.8
272.17145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82693	0.7
57.03429	1.9
58.27845	0.9
59.01373	2.3
69.33041	2.6
69.33460	4.0
72.99328	0.9
75.00867	3.3
81.74294	0.7
93.90592	0.8
95.01395	1.3
95.04986	1.2
96.95995	2.1
98.20734	1.0
107.05022	1.9
108.02174	7.4
109.02972	15.8
115.00391	0.9
120.02189	7.6
123.00861	2.0
123.04542	4.9
134.03746	1.3
135.04500	2.3
136.01671	3.2
137.09712	1.2
138.03191	1.6
148.01663	67.0
149.02426	1.3
150.81270	0.8
153.02005	4.2
153.05576	61.8
154.05902	2.4
163.04010	35.2
163.05011	0.7
163.05409	1.1
163.11255	0.8
164.04570	2.0
165.01920	2.6
166.02684	7.5
167.03387	1.4
171.01277	1.0
179.03508	1.6
181.05060	14.3
181.12288	1.2
183.13895	2.5
192.00629	4.8
196.03725	3.9
197.29842	0.8
207.02992	13.0
210.01680	3.2
211.06265	1.1
211.13312	4.3
212.03807	1.1
225.04030	96.5
226.04366	2.8
240.02774	2.0
240.06671	0.9
255.05087	100.0
255.12363	4.9
255.23274	67.3
256.03180	0.9
256.05472	3.6
256.08063	1.7
256.23666	2.0
272.32602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2173
Annotation	(Z)-9-Tetradecen-1-ol acetate
Peak:m/z	Relative Intensity
59.01380	100.0
61.98821	7.3
64.30544	7.2
98.19861	15.7
106.63596	7.9
110.01507	9.7
135.04652	7.0
193.07162	17.0
234.28432	7.4
253.21750	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1081
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
57.03440	3.0
59.01378	48.8
60.40915	0.7
69.03463	1.2
71.01379	1.4
71.24854	1.5
72.99303	17.8
85.02942	1.2
87.00864	0.9
89.02469	1.3
92.02204	0.8
93.03451	3.4
96.96010	2.1
97.06587	15.8
101.02451	1.7
107.04984	0.9
108.02145	1.1
109.06609	3.9
121.06563	1.7
122.03680	0.7
123.08165	0.9
133.06558	2.0
135.04466	1.5
137.06068	1.7
137.09717	21.3
141.21449	0.8
149.09714	6.7
153.09183	1.5
161.04552	2.5
163.02818	1.5
163.11316	1.3
173.09700	3.6
175.07640	9.0
176.08423	60.0
177.08737	1.9
189.09183	2.3
191.09015	1.6
191.10771	32.0
192.11070	1.2
193.05321	1.3
193.07121	7.2
204.15372	0.7
207.01651	1.0
217.08685	12.4
235.09740	100.0
236.10138	4.8
253.07199	2.1
253.10986	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	253.1079
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
57.03447	3.8
59.01380	34.0
65.65649	1.9
69.03447	13.9
69.59698	11.6
71.01380	8.9
72.69949	1.9
74.91888	2.0
83.01408	1.9
83.05065	1.9
91.98985	1.6
95.05010	5.9
97.02950	15.5
101.02439	4.1
105.07088	6.0
107.04995	2.5
108.05801	7.1
109.02928	4.2
109.06585	12.9
111.04546	3.1
111.08141	3.6
113.06090	11.2
121.06580	6.0
122.03728	18.3
123.04498	1.9
123.08160	12.1
125.06071	14.5
133.06599	2.9
136.05275	8.1
137.06125	11.7
137.09631	2.0
138.06865	54.5
139.07655	36.4
145.81206	1.8
147.08119	9.1
149.06134	2.9
149.09709	20.6
151.07651	86.6
152.04805	11.5
152.08446	28.2
153.09215	100.0
154.09505	2.6
157.06645	4.6
160.68832	2.0
161.16127	2.1
167.07210	4.1
173.09711	13.9
175.07634	8.2
176.08226	1.8
191.10765	92.9
192.11029	4.0
193.07173	4.3
209.08041	2.1
209.11781	7.2
253.10820	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	253.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.8
59.01380	85.6
69.03456	15.6
71.01379	8.0
71.29755	2.7
71.86879	1.7
81.03458	2.2
91.82886	2.0
95.05035	6.0
97.02952	16.0
97.76546	1.6
98.20435	2.1
101.02420	5.2
105.07076	3.2
107.05016	3.0
108.05817	8.0
109.02952	4.3
109.06615	13.2
111.00761	1.8
111.04537	4.8
111.08154	3.4
113.06084	13.4
121.06583	5.5
122.03745	15.0
123.04489	1.9
123.08170	13.6
124.05273	2.1
125.06095	11.8
135.04550	3.0
135.08122	2.6
136.05290	10.0
137.06099	9.9
138.06863	58.8
139.07668	38.5
147.08084	8.3
147.69078	2.0
149.06032	3.8
149.09729	19.9
150.06816	5.9
151.07645	89.5
152.04826	9.4
152.08441	21.6
153.09212	100.0
154.09535	2.8
157.06552	3.8
161.04509	3.3
167.07127	3.6
173.09700	11.8
175.07607	8.2
191.10768	87.9
192.11101	4.9
193.07138	11.1
209.08170	3.8
209.11848	7.3
253.06941	3.9
253.10831	39.5
253.21640	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	253.0929
Annotation	2-O-(alpha-D-Glucopyranosyl)glycerol
Peak:m/z	Relative Intensity
50.18226	0.4
53.58512	0.5
54.13949	0.4
58.00590	0.9
59.01379	100.0
60.01702	0.7
61.98833	5.8
70.52282	1.1
70.52609	0.6
71.01383	3.0
72.99315	1.8
73.02948	2.5
74.99094	0.6
80.22803	0.5
85.02961	1.1
89.02451	2.2
96.96008	1.7
99.00904	0.5
101.02464	3.3
108.02170	0.8
113.02471	0.9
135.04546	0.8
149.06049	0.8
161.04570	1.4
175.04018	0.7
179.03484	0.5
193.07178	3.7
209.08203	0.8
253.03847	2.3
253.07243	2.0
253.09502	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	251.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13691	0.8
55.01655	1.1
55.01879	9.9
55.83316	1.0
57.03447	4.4
57.58935	0.9
58.00587	2.6
59.01379	79.7
60.26559	1.0
61.98810	1.8
64.78001	0.8
69.03439	1.1
69.16917	0.8
69.87976	5.0
70.37411	0.8
71.01380	93.6
72.99294	3.5
73.02942	33.0
75.00870	2.5
83.01391	16.2
85.02950	45.0
87.00864	3.9
87.04536	1.8
89.02444	26.4
95.01392	7.6
97.02959	2.2
99.00880	13.4
101.02440	100.0
102.02805	1.4
113.02446	39.9
113.22584	0.9
119.03502	9.2
125.02470	2.0
129.01988	1.8
143.03519	4.6
159.02977	9.7
161.04553	47.2
162.04704	1.1
163.07745	1.1
176.46588	0.9
189.05554	2.7
251.05579	2.6
251.07648	2.5
251.11337	34.3
252.11641	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47005	1.6
58.02976	26.1
59.01377	3.1
70.02981	9.1
71.01394	2.4
71.53551	1.5
72.00903	7.8
85.02963	1.9
88.04045	11.6
91.05528	8.2
96.96015	1.4
115.00375	1.9
116.33780	1.4
117.81794	1.2
118.96372	1.3
130.94408	1.5
132.03021	14.6
135.04558	2.2
147.04510	37.9
148.05272	1.6
157.19051	1.5
164.07167	100.0
206.08218	87.2
207.06641	2.5
207.08508	2.7
250.07220	3.7
250.10744	3.0
250.14497	8.9
251.05620	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	250.0721
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
59.01366	0.8
62.23989	0.5
69.57449	1.2
69.57850	1.6
70.02987	0.7
71.01376	6.7
85.94051	0.4
88.04042	75.8
89.04349	0.5
91.05517	3.0
98.19776	0.4
106.15469	0.4
114.01978	5.2
115.00369	14.5
116.00760	0.5
132.03030	100.0
133.03386	1.4
135.04527	4.4
164.09488	0.5
206.08199	2.3
206.33963	0.5
215.53395	0.4
228.85924	0.6
232.06071	1.3
241.61594	0.5
250.07185	24.5
251.07536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1701
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
58.97120	0.1
59.01369	0.1
61.89834	0.1
61.98815	0.3
70.00691	0.7
71.01385	2.8
72.59023	0.1
98.20509	0.2
103.04013	1.3
157.05070	0.4
184.00162	0.4
186.95665	0.3
205.15900	0.3
212.06319	0.1
215.23682	0.1
220.17039	0.3
231.13887	0.4
247.17014	100.0
248.08041	0.5
248.17363	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	249.08
Annotation	3-(5'-Methylthio)pentylmalic acid
Peak:m/z	Relative Intensity
51.14145	0.3
58.02978	0.6
59.01370	0.6
69.49254	1.8
79.95705	1.5
95.95226	0.5
96.96011	45.1
106.63725	0.3
123.67409	0.3
132.03040	0.5
140.11845	0.3
147.04501	0.3
160.10973	0.3
160.56990	0.3
164.07135	0.7
197.12437	0.3
204.04355	0.3
206.08174	0.8
239.93246	0.3
244.29091	0.3
249.08000	100.0
250.08331	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	249.1495
Annotation	Sch 601254
Peak:m/z	Relative Intensity
58.99121	0.8
59.01379	10.9
61.98815	2.5
64.10338	1.1
68.99565	2.7
69.03458	30.0
71.01373	2.8
71.05023	1.5
71.52932	1.6
81.39645	1.0
83.05026	2.1
89.90915	0.9
93.03432	1.2
95.05015	2.8
97.06588	2.0
111.08134	1.9
112.98545	6.4
117.03460	1.5
121.06619	1.2
134.07275	1.0
149.09756	1.1
149.13342	3.3
154.97379	3.1
161.02344	2.1
161.13304	1.8
167.10728	3.0
179.10770	2.0
187.14917	2.3
190.06378	1.1
193.12325	6.8
194.06454	0.9
203.14355	1.1
204.04247	8.4
205.12282	8.1
205.15955	9.7
219.06546	3.7
221.15448	14.3
231.13885	31.7
248.97354	5.5
249.07741	3.7
249.14938	100.0
250.14900	6.0
265.08585	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73236	0.8
59.01380	34.5
61.98830	1.0
66.64980	0.8
70.66250	2.7
71.01380	3.9
85.02947	2.2
95.04979	1.3
98.20168	1.7
103.04006	1.2
109.56593	0.8
115.00360	1.3
115.84052	0.8
116.05067	1.6
118.78437	0.8
127.07673	1.5
129.09210	3.1
136.05310	6.8
141.12930	1.1
147.04590	1.1
160.40314	0.9
165.12897	4.6
166.05092	100.0
183.13893	29.0
184.14404	1.0
185.11826	98.2
186.12120	2.1
191.84361	0.9
199.13455	2.6
201.02026	0.9
201.05482	0.9
209.11787	4.7
227.12894	12.1
245.00943	1.1
245.04610	1.0
245.08501	1.7
245.13931	74.4
246.00772	14.3
246.14349	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.9915
Annotation	Unknow
Peak:m/z	Relative Intensity
65.60194	0.3
69.03070	0.7
69.03452	11.8
69.19275	1.0
69.19696	2.6
71.01376	1.1
79.01887	14.5
79.95700	2.0
90.92493	0.4
91.66858	0.3
95.01369	2.0
97.02940	5.7
103.04041	0.4
107.00646	0.8
107.01385	22.4
123.00873	2.8
125.02440	7.6
135.00880	38.3
136.01239	0.9
151.00383	0.6
167.03493	4.2
186.97084	2.4
214.96552	100.0
215.96884	2.2
246.99155	30.3
247.99498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59274	0.7
54.25883	0.7
56.20932	0.7
56.53557	0.7
57.03482	1.1
58.00634	1.4
58.02992	0.9
59.01414	1.3
65.29733	0.6
65.91914	0.6
69.78190	3.0
71.01415	2.0
72.64125	0.7
74.02468	3.3
80.02699	1.3
81.03488	1.5
83.05032	4.5
84.02235	3.0
88.04042	10.6
89.03886	1.2
89.04362	4.6
102.56351	0.6
114.39561	0.7
115.00409	1.8
116.00769	0.7
116.03648	1.0
116.05081	1.0
125.06034	0.9
125.09747	3.7
127.11275	7.7
128.10820	3.7
128.80865	0.8
129.09258	1.7
129.11156	5.4
130.09579	2.0
137.09715	1.2
139.11333	1.9
155.10811	2.6
157.12372	1.1
163.11314	4.1
165.09186	1.7
165.12863	3.2
171.10262	3.0
183.10295	1.5
191.10735	1.4
198.04738	0.7
199.09810	2.0
201.11319	92.0
201.13010	4.0
202.11671	2.0
203.08311	3.0
209.11819	100.0
210.12137	3.8
227.10780	1.2
227.12897	17.2
245.09276	3.1
245.12178	11.5
245.14020	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	245.1391
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
54.09269	0.4
57.03455	2.4
59.01368	3.1
59.54636	0.5
69.25498	4.7
73.02943	0.6
73.99021	0.5
83.05045	0.8
85.02953	0.5
97.06593	1.4
99.00879	0.7
111.08169	2.2
125.09728	1.1
135.04532	2.3
135.08250	0.6
139.65446	0.5
143.02437	3.3
143.52596	0.8
151.00342	1.4
155.14421	1.9
163.11346	0.8
165.12839	15.4
171.10263	0.6
181.12256	0.7
183.13890	17.8
184.14227	1.1
187.46677	0.5
191.10802	0.6
199.13361	1.2
201.14970	8.7
207.10303	0.5
209.11821	15.3
225.11272	1.5
227.12878	43.3
228.13200	2.0
243.12393	1.1
245.13924	100.0
246.14323	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	244.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	10.7
59.01363	0.9
63.96738	0.5
69.31455	4.2
71.01383	0.7
73.01170	0.8
84.04543	3.5
98.19913	0.9
98.20568	1.4
102.05595	1.0
105.55042	0.4
110.09764	7.0
111.97633	0.4
112.46783	0.5
115.07671	0.6
116.75129	0.6
127.11310	0.5
127.46257	0.5
128.03551	0.6
135.15862	0.5
140.10780	0.7
154.14572	0.5
156.13933	53.8
157.14320	1.1
158.11859	41.1
171.10397	0.5
182.11850	3.3
200.12912	100.0
201.11331	5.0
201.13260	2.6
209.11823	3.7
244.11827	1.0
244.16330	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97087	1.1
57.03441	1.2
58.00592	8.3
59.01377	19.1
68.99799	1.1
70.19066	3.3
71.01382	8.5
72.02159	3.3
73.02932	2.5
81.07095	1.4
82.83320	1.1
83.01372	1.6
85.02953	2.9
87.00876	21.7
89.02438	8.2
95.05018	2.7
97.06585	11.9
99.08157	7.9
101.02403	2.4
105.01862	1.4
108.02176	2.4
109.06567	3.9
111.08130	1.8
112.01678	2.4
125.06062	3.9
127.07647	100.0
128.07973	2.1
129.01913	3.7
129.09203	7.0
129.10046	1.2
132.48491	1.2
137.06081	8.5
139.07632	8.5
147.02960	4.0
155.07135	42.9
157.08665	2.9
167.07077	4.2
171.06458	1.1
185.08229	6.5
236.74438	1.1
245.10265	7.6
260.93314	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12597	0.5
55.73954	0.5
59.01377	0.8
67.38696	0.5
70.02989	1.4
70.20934	0.5
71.01383	10.2
72.36362	0.4
88.04038	100.0
89.04400	0.5
96.99319	4.0
114.01948	6.1
115.00369	20.8
125.09698	0.5
127.11265	0.8
128.10818	61.9
129.09218	26.0
129.10205	1.0
129.11137	1.9
132.03029	7.3
132.03954	0.9
154.12418	0.9
156.13867	0.7
158.11880	0.5
182.11865	3.2
200.12912	21.4
201.11298	6.9
201.13048	0.9
209.11815	8.9
226.10808	6.2
227.12869	2.2
244.11882	94.4
245.12105	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	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
59.01377	2.5
61.98808	1.1
67.01878	0.5
71.01380	2.8
71.05022	1.6
71.54763	0.6
79.10463	0.4
83.05032	0.8
97.02955	2.2
97.06544	0.7
98.16602	0.4
99.00880	12.8
100.98428	0.4
109.06571	0.8
110.03735	1.1
111.00923	0.6
111.04568	0.4
113.82055	0.4
115.00346	0.8
116.84039	0.4
123.08154	0.8
125.09705	3.3
127.07650	4.0
136.05220	0.5
142.02693	1.4
145.41800	0.4
147.56766	0.4
155.07111	0.8
155.14421	1.2
161.09714	0.5
163.11253	4.7
171.10278	1.1
181.12321	12.7
193.56798	0.4
197.11839	1.1
199.13380	13.4
200.13667	0.5
207.10242	27.8
208.10684	0.8
225.11310	54.1
226.11638	1.7
243.12357	100.0
244.10136	0.5
244.12708	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	243.16
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.7
61.98832	23.4
65.35836	0.4
67.01874	1.5
69.03423	0.5
71.53751	0.7
78.50626	0.4
83.01376	0.6
83.05030	0.5
85.06623	0.5
87.72028	0.4
98.86221	0.5
99.92556	0.8
103.92040	4.1
104.92053	3.8
105.91818	0.8
105.92478	0.7
110.02469	0.8
111.00861	1.5
127.03938	0.5
149.91324	0.8
150.91321	1.7
151.91568	0.5
154.99875	0.8
162.83945	0.7
183.13884	7.5
193.12308	2.3
196.90642	0.9
197.90649	4.0
207.10338	0.6
211.13382	100.0
212.13699	3.9
214.91615	2.7
215.92015	0.7
225.11479	0.7
243.06433	0.6
243.10207	0.7
243.12355	1.1
243.16017	1.4
243.89938	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03428	1.0
59.01377	2.4
61.51422	0.8
69.49891	6.5
71.05018	3.3
90.77367	0.8
97.02958	5.5
97.06556	1.7
99.00883	18.8
100.01188	0.9
109.06514	1.4
110.03738	1.9
125.09725	5.2
126.10001	0.8
136.05247	1.1
142.02666	1.6
155.14423	1.1
160.32268	0.9
163.11293	7.0
181.12352	21.4
189.62776	0.9
197.11943	1.3
199.13400	18.3
207.10268	40.1
208.10510	1.3
225.11316	76.4
226.11577	2.1
243.12369	100.0
244.12717	2.9
253.40288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03444	1.6
59.01383	10.3
61.98824	1.6
62.75518	0.7
64.57655	0.6
71.01389	1.9
71.05013	2.6
73.02950	1.6
83.01418	0.7
83.05013	1.1
85.02945	0.6
90.73787	0.5
97.02947	3.2
97.06617	1.0
99.00868	8.7
103.04035	0.7
109.99046	0.5
111.00883	1.3
125.09718	3.7
127.11300	4.9
135.08260	0.6
139.11273	5.8
142.02725	0.7
151.14316	0.6
153.12839	1.0
155.14426	1.0
156.71103	0.6
163.11285	4.5
171.10265	1.4
181.10823	1.2
181.12335	16.9
183.10248	8.3
197.11813	1.7
198.07079	0.7
199.13390	36.1
200.13780	0.9
201.11366	0.8
207.10248	19.7
208.10579	0.7
225.11307	50.3
226.11635	2.0
243.12366	100.0
244.12749	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	243.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	1.1
59.01377	37.9
60.01698	1.0
61.29059	0.7
67.01900	1.2
69.21656	2.1
69.22057	6.8
71.01367	4.8
71.05013	1.5
72.02171	2.2
73.02944	1.7
79.56982	0.8
81.07101	1.8
83.05023	2.9
84.02182	1.7
85.02917	1.1
86.00095	3.7
89.40041	0.9
94.08231	1.0
95.05017	10.8
97.06602	3.1
98.19860	1.5
98.20552	2.7
99.07567	1.1
99.08161	12.2
103.04021	1.5
107.05032	24.4
109.06627	2.0
109.08396	0.9
111.00930	0.9
111.08148	2.3
113.06075	4.9
119.05000	1.4
120.54424	0.8
121.06602	0.9
123.04517	3.7
125.06076	24.0
127.07642	11.4
137.06073	2.2
139.11263	4.8
153.05482	1.0
155.07137	100.0
156.07457	3.1
171.10274	0.9
177.09236	2.8
181.12354	8.0
183.10219	10.1
199.13354	3.7
225.11285	3.2
243.06741	1.3
243.12369	25.3
243.16032	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0622
Annotation	Uridine
Peak:m/z	Relative Intensity
59.01365	2.4
66.03485	13.0
66.20056	0.9
68.01411	2.4
70.84802	2.1
71.01380	2.0
82.02986	26.2
84.73603	1.0
89.60273	1.0
91.35225	1.0
94.02973	3.3
96.04565	1.9
99.00841	1.5
108.04535	1.9
110.02479	100.0
111.02000	5.8
111.02719	1.6
112.98792	2.8
117.01989	1.8
122.02472	7.5
124.04040	2.6
139.42143	1.0
140.03528	11.7
142.99828	1.7
152.03535	17.0
153.03036	10.5
173.00845	2.0
182.91942	0.8
200.05643	45.2
205.03474	1.1
243.06210	41.3
244.06660	1.0
252.28627	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20015	0.6
59.01381	1.7
61.98824	0.8
69.46456	1.7
69.46867	2.5
70.02979	0.9
71.01382	7.3
76.90237	0.7
88.04038	100.0
89.04376	0.7
96.99286	0.9
97.75452	0.6
98.19947	1.5
104.15079	0.6
109.06566	0.8
114.01960	5.0
115.00368	17.3
126.09232	5.9
127.07648	10.4
132.03026	44.6
136.11234	0.6
145.49335	0.6
180.10306	1.0
182.57024	0.6
197.89769	0.7
198.11342	7.7
206.07558	0.6
224.09268	2.5
242.10326	52.9
243.10666	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43201	0.4
52.50684	0.4
59.01370	1.5
61.98829	4.9
63.11866	0.3
69.97353	1.0
69.97742	0.8
70.02979	1.1
71.01378	7.1
88.04039	100.0
89.04381	1.2
91.20623	0.4
96.99326	1.5
98.73701	0.4
109.06530	0.4
114.01972	8.0
115.00372	14.7
117.94281	0.4
126.09244	1.9
127.07655	9.2
132.03026	72.8
133.03401	0.8
180.10356	0.7
198.11363	4.0
224.09323	1.1
242.10330	37.3
243.02968	1.9
243.10675	1.5
243.16043	0.4
243.19528	0.4
244.55186	0.4
258.70953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1082
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
54.03739	0.6
54.36536	0.7
57.03451	1.2
59.01374	2.1
61.98830	6.1
69.03456	2.8
69.34106	1.4
69.34515	3.5
71.01382	0.7
71.05022	4.9
81.03465	0.7
83.05026	4.7
88.65324	0.5
95.05013	0.7
97.06641	0.7
97.27034	0.6
98.20322	2.5
103.92026	3.2
123.08149	0.8
125.09721	2.2
149.91296	1.2
151.11308	1.6
153.12854	2.7
161.09694	1.7
179.10785	8.2
181.06020	1.1
195.09981	0.6
195.15034	0.9
195.90610	1.0
197.06119	2.8
197.11824	100.0
198.12112	2.5
213.16039	1.0
213.91733	1.0
223.09833	2.8
240.99721	1.0
241.05196	2.4
241.10805	93.8
241.14624	2.5
241.21706	1.9
242.11142	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	241.1082
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
52.71656	0.6
52.84732	0.6
57.03442	1.2
59.01370	2.8
61.98838	5.2
70.44105	0.6
71.54681	1.1
87.00861	0.8
88.04063	1.0
96.95976	0.6
97.06568	0.6
114.01998	1.4
127.64331	0.7
137.09689	0.9
146.62848	0.5
149.09711	0.7
151.11296	2.2
169.12337	100.0
170.12650	2.5
179.10704	1.1
195.13847	4.1
197.10011	1.1
197.11826	20.5
198.05562	0.7
213.05627	0.6
223.09738	1.2
241.05351	1.3
241.10822	46.9
241.14467	16.4
241.18040	1.1
241.21690	1.3
242.11026	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.2
58.02971	1.8
59.01377	100.0
67.99961	1.0
69.03452	1.8
69.84035	2.4
69.84444	4.2
71.01369	4.8
72.99296	1.3
73.02947	1.8
74.07626	1.0
79.95726	8.6
80.65160	1.0
80.96519	2.4
81.03450	1.3
85.02959	5.8
87.00867	16.3
89.02447	3.6
96.95995	14.0
97.02949	1.5
98.20567	1.5
99.00859	3.9
101.02431	4.0
109.02960	2.1
111.04525	8.3
113.02443	2.3
117.01922	3.6
125.02448	3.3
133.26822	1.0
135.04514	5.4
138.05594	2.1
141.01927	2.1
145.58846	1.0
150.03238	2.2
152.07150	1.9
159.02950	2.3
159.04477	1.6
161.03233	1.7
161.04521	15.3
165.05530	1.0
177.02246	2.3
177.05528	3.7
179.05598	88.9
180.05946	1.8
195.03304	30.0
195.06604	1.3
209.04471	1.2
221.06598	2.4
239.02278	72.4
239.05614	3.0
239.07680	5.4
239.10156	2.4
239.12689	1.3
240.02750	1.5
240.76060	1.0
255.91400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.6
69.50780	2.6
71.01385	0.7
73.02959	0.7
85.02958	0.7
87.00865	2.6
99.00906	0.7
101.02464	0.5
107.01377	0.5
108.02169	1.6
122.03731	7.4
123.04514	2.4
123.05513	0.6
138.06895	0.8
139.07614	0.7
150.03217	100.0
151.03503	2.4
151.07639	1.3
152.07156	0.8
153.09238	2.4
161.04561	2.7
165.05557	22.1
179.05595	13.1
180.04262	9.6
194.02202	3.9
195.02959	0.5
195.06572	1.8
208.38937	0.4
209.04533	46.0
210.04837	1.2
211.07568	0.6
221.11877	0.8
224.03293	2.9
239.05562	51.6
240.05862	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.13585	1.5
63.65897	1.5
67.80070	1.4
70.20049	3.5
70.20432	3.5
71.01376	12.2
73.02916	3.4
85.02937	11.1
87.00879	22.4
89.02447	13.0
97.02950	1.9
98.20621	1.8
99.00887	5.0
101.02441	6.2
105.01917	4.0
113.02433	2.3
117.01946	4.2
119.03466	3.0
125.02480	2.2
131.03459	3.9
141.01833	1.7
155.79330	1.8
158.39888	1.6
161.04549	17.4
165.04065	13.1
177.50186	1.8
179.05609	83.3
180.05888	2.4
221.06665	13.9
239.07764	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	237.0616
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
56.54993	0.4
57.03445	1.9
57.88520	0.3
59.01373	2.9
70.67193	1.0
71.01383	2.2
72.99308	0.5
73.54119	0.4
75.00867	9.3
75.41695	0.4
76.15246	0.3
78.95905	1.3
83.47135	0.3
85.02931	2.0
87.00877	100.0
88.01230	0.5
89.02453	1.1
98.20359	0.4
101.02438	0.8
115.00336	0.4
119.03489	0.4
120.99651	0.8
126.35511	0.4
129.01949	12.9
131.53723	0.3
132.85005	0.4
147.03059	0.5
219.05095	0.7
237.06140	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	237.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54993	0.4
57.03445	1.9
57.88520	0.3
59.01373	2.9
70.67193	1.0
71.01383	2.2
72.99308	0.5
73.54119	0.4
75.00867	9.3
75.41695	0.4
76.15246	0.3
78.95905	1.3
83.47135	0.3
85.02931	2.0
87.00877	100.0
88.01230	0.5
89.02453	1.1
98.20359	0.4
101.02438	0.8
115.00336	0.4
119.03489	0.4
120.99651	0.8
126.35511	0.4
129.01949	12.9
131.53723	0.3
132.85005	0.4
147.03059	0.5
219.05095	0.7
237.06140	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	237.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30877	0.3
69.54517	2.1
71.01382	18.6
72.23004	0.4
82.30418	0.3
106.94875	0.4
115.00375	9.5
121.02956	100.0
122.03277	1.8
137.73628	0.4
149.05960	0.3
153.46890	0.3
153.75475	0.3
155.91019	0.3
230.07674	0.4
237.03999	0.9
237.11368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0405
Annotation	6,8-Dihydroxy-5,7-dimethoxycoumarin
Peak:m/z	Relative Intensity
69.42465	4.4
71.01379	4.2
85.30997	0.5
93.03461	1.1
95.74146	0.7
98.20146	2.3
106.04259	1.3
114.99566	0.5
115.00388	2.3
121.02959	29.5
133.02975	6.2
133.21631	0.7
134.03741	100.0
135.04095	2.0
137.02452	19.9
138.01883	0.6
139.04018	6.2
149.02478	1.9
149.04915	1.4
149.06082	18.9
150.03206	1.7
161.26665	0.7
166.22862	0.7
178.02708	55.9
179.03062	1.4
193.05063	19.8
193.86485	0.6
222.01678	12.6
237.04041	99.0
238.04391	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	236.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
60.72755	0.2
61.98833	1.9
71.05028	0.3
98.20296	0.9
120.32133	0.2
129.02016	0.2
134.03746	0.4
135.04559	0.4
135.49553	0.2
136.05283	0.4
141.72711	0.2
148.05304	6.6
149.05952	0.3
149.09705	0.7
162.06828	0.4
162.54703	0.2
175.07639	0.3
176.08369	0.7
177.09196	36.2
178.09517	1.2
179.48868	0.2
187.12463	0.2
190.09935	1.3
191.10786	0.8
192.11548	29.3
193.11850	1.1
201.09181	0.6
203.07121	0.5
209.15410	0.3
217.08694	3.1
218.09444	6.9
219.13815	0.2
224.10519	0.3
226.21065	0.2
236.10518	100.0
237.10907	3.3
237.14821	1.4
243.74104	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19047	0.3
55.02699	0.2
59.01375	5.4
59.96721	0.5
60.97518	0.5
67.01863	0.3
69.17237	2.9
74.99062	6.3
75.96220	0.3
81.24720	0.4
85.45898	0.3
91.02219	1.0
93.00145	1.4
93.03442	0.7
98.20680	0.7
118.96257	1.4
134.99396	6.6
136.97348	1.8
141.07436	0.5
143.05333	1.1
149.00955	64.7
150.00920	1.9
150.98889	0.8
159.08473	2.0
161.06372	3.1
173.04564	0.9
188.98615	0.4
201.04076	0.4
213.56769	0.3
215.05695	0.9
217.07199	86.7
218.07285	3.5
229.87128	0.3
233.10330	100.0
234.10455	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03437	1.0
59.01355	0.4
64.15961	0.3
66.74649	0.2
70.17258	1.0
71.05009	0.6
72.80522	0.3
75.31585	0.3
83.05013	0.5
83.57152	0.3
84.02181	0.4
85.02953	0.9
87.97418	0.4
97.06620	0.5
98.20227	0.6
125.05992	0.4
125.09740	2.2
126.14914	0.3
127.11303	3.9
135.47824	0.3
139.89566	0.3
144.52283	0.3
155.14450	1.6
165.12849	0.6
167.14429	1.7
171.10251	4.2
172.30792	0.3
183.13878	2.0
185.06052	0.4
185.11798	2.8
187.11281	0.8
193.12320	0.6
209.11839	2.8
211.13396	12.5
229.14426	100.0
230.14760	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	230.0127
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
51.46770	0.9
53.05517	0.9
61.71778	1.0
66.03449	1.4
69.69828	5.7
73.01171	6.4
80.05042	1.7
82.02988	6.1
96.03966	2.0
96.04552	28.3
98.99072	6.2
100.81585	0.9
108.04549	33.1
114.00187	79.8
142.03314	100.0
143.03658	1.0
186.02295	40.3
191.84555	1.0
230.01256	98.9
231.01540	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	233.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.1
57.03450	15.8
59.01382	100.0
59.14057	2.2
67.01888	4.4
68.99796	2.1
70.84490	2.8
70.84834	3.3
71.01379	53.8
72.99288	3.0
73.02964	10.7
83.01389	19.9
85.02969	12.7
87.00852	4.5
93.03461	3.1
99.00881	38.3
111.00877	31.8
129.01939	38.8
173.00894	5.7
173.04509	3.1
207.59290	2.3
233.10410	2.6
233.15472	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	227.129
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
60.40621	0.3
61.79442	0.4
70.38785	0.4
70.39154	1.2
71.05029	0.5
74.41749	0.4
80.02689	1.9
81.03474	1.8
82.77567	0.4
83.01392	0.6
83.05021	6.7
84.02165	4.3
95.05011	0.6
97.06617	0.4
125.06081	1.0
125.09756	0.4
126.48619	0.4
135.08130	0.8
153.12881	0.5
163.11278	6.0
165.12846	3.6
181.12320	0.9
183.13905	0.4
191.10814	1.4
199.13361	0.6
209.11818	100.0
210.12129	3.1
227.03194	0.5
227.12912	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	228.0878
Annotation	N-Hydroxy-meIQX
Peak:m/z	Relative Intensity
59.01376	1.2
69.53094	1.8
69.53518	1.6
70.02979	1.3
71.01387	7.1
77.84016	0.5
87.71428	0.5
88.04041	100.0
89.04362	0.6
96.99305	1.9
112.07693	2.8
113.06087	10.8
113.10203	0.6
114.01969	9.4
115.00371	16.9
116.05057	0.5
132.03029	67.7
133.03365	0.5
138.09303	0.5
162.45189	0.6
184.09776	5.0
210.07733	1.0
228.08771	25.6
233.50272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.5
63.55595	0.3
69.84272	0.8
69.84687	1.3
71.01381	7.3
73.02937	0.8
73.51254	0.4
73.92867	0.4
84.02163	4.9
95.05027	1.6
97.06587	29.9
98.06934	0.6
107.05036	3.8
110.03764	1.4
125.06081	100.0
126.06419	1.5
139.07660	0.5
141.05597	0.6
146.57278	0.4
169.08717	1.3
229.05099	0.6
229.08900	0.4
229.10890	2.3
229.14391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
53.29531	0.4
57.03448	5.9
67.01405	0.4
69.03473	0.6
71.05022	0.8
71.30231	0.4
81.03470	1.5
81.08451	0.4
83.05023	0.9
84.02176	0.7
85.02955	1.6
88.53375	0.4
95.05024	2.9
97.02959	2.9
97.06586	1.3
98.03781	0.5
99.08165	1.1
107.05022	0.6
108.02175	0.8
109.06586	6.2
110.02507	0.8
111.04522	1.4
111.08135	0.7
112.05342	0.5
112.26312	0.4
121.06602	1.4
122.03760	0.9
123.04526	1.6
123.08170	8.8
124.05300	22.1
125.06131	2.1
127.07673	0.8
129.09227	3.4
133.06631	0.5
135.04491	0.6
135.08153	1.1
136.05296	8.5
137.06079	1.4
138.06841	0.6
139.07649	100.0
140.08032	2.1
141.09195	0.8
146.07390	0.4
149.09689	1.2
151.07648	48.2
151.11221	3.3
152.08025	1.5
153.09207	4.8
159.08153	0.8
161.09721	6.3
163.07698	2.8
163.11241	1.3
164.08424	1.9
165.09206	1.0
165.12811	0.8
167.07198	0.5
169.08702	5.5
169.12320	1.3
173.09715	0.6
175.07674	2.1
177.09198	0.8
179.10767	35.7
180.11053	0.9
181.12274	3.5
183.11429	0.8
183.13774	0.4
189.09215	2.5
191.10782	13.3
197.11827	6.3
207.10294	3.1
209.11824	38.8
210.12119	1.2
225.11322	0.9
227.12872	81.3
227.20126	1.1
228.03459	0.6
228.13191	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0925
Annotation	Loganetin
Peak:m/z	Relative Intensity
55.01887	1.6
57.03442	6.3
59.01365	1.5
61.61826	1.2
67.01884	1.3
67.96521	1.0
68.85738	0.9
71.01357	1.8
71.19131	1.9
73.02911	1.0
79.05518	1.8
80.02667	1.5
83.01366	3.0
83.99620	1.0
84.02161	2.4
85.02952	13.1
95.01373	1.9
95.05023	4.6
97.05980	1.8
97.06585	27.9
97.07210	1.6
98.03735	7.3
107.05019	6.6
108.02185	2.8
111.00881	3.6
111.08158	11.3
121.06593	6.5
123.04517	16.1
123.08155	2.7
124.01595	1.7
124.05278	3.7
125.06073	3.1
125.09686	1.3
129.01942	24.0
133.06680	1.0
134.03731	2.2
135.08168	3.0
137.06050	2.5
137.09647	1.2
139.07643	94.0
140.07990	2.2
149.06061	24.0
151.07585	2.6
153.09235	3.6
163.07578	1.9
167.07121	100.0
168.07431	1.6
179.07118	1.4
181.08653	2.3
191.06935	1.5
209.08197	7.6
209.11659	1.4
227.09229	21.4
227.12679	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	225.1132
Annotation	Stagonolide
Peak:m/z	Relative Intensity
58.48805	0.5
59.01387	1.3
61.52053	0.4
65.28358	0.5
69.28274	1.6
69.28698	2.0
81.03473	0.7
83.05045	0.7
91.13596	0.4
93.03457	1.0
97.02946	8.7
97.06568	0.6
98.19945	1.0
99.00865	2.6
99.66454	0.4
107.05035	0.4
109.06607	4.6
110.03732	4.0
111.04482	0.4
121.06611	0.6
123.04475	0.6
125.09714	1.4
135.08183	1.6
136.05312	2.1
137.02402	0.8
142.02715	4.3
144.62712	0.4
145.10217	0.7
153.12849	0.6
161.09711	0.7
163.11284	10.8
179.10764	0.9
181.12341	28.4
182.12675	0.5
189.09273	0.7
197.11795	1.3
207.10254	65.6
208.10532	2.5
225.11307	100.0
226.11652	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	226.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
56.60512	2.1
57.03461	8.8
59.01373	5.3
65.11324	1.8
68.99805	3.2
70.50490	2.7
70.50838	3.5
71.01389	29.3
72.99311	3.2
73.02952	5.0
83.01386	11.2
84.00935	1.8
85.02961	14.4
87.00870	4.4
89.88239	1.7
97.06589	3.1
99.00880	52.0
101.02445	2.8
111.00885	39.2
112.98813	100.0
115.00349	3.9
117.06815	1.8
129.01947	25.0
139.07649	11.9
142.99864	9.8
144.78558	1.8
145.01385	2.4
149.05995	2.7
153.98816	1.8
167.07173	11.7
173.00912	35.2
179.10733	2.2
185.43184	1.6
191.01930	7.8
208.98535	2.6
226.99649	19.3
227.09267	3.7
238.28442	2.0
246.02020	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	225.1132
Annotation	Chloriolide
Peak:m/z	Relative Intensity
54.65815	0.6
59.01383	5.6
60.78416	0.5
61.98828	22.2
62.65340	0.5
65.00317	2.2
68.44451	0.5
68.99796	0.7
71.04999	0.7
73.02943	0.9
75.00879	0.6
80.02664	1.0
81.03453	2.2
83.05022	1.3
84.02164	1.3
85.02961	0.5
86.76740	0.5
92.53780	0.5
93.03462	7.2
97.02946	9.3
97.06597	0.8
98.20393	3.2
99.00888	1.0
99.04472	0.6
106.04251	0.6
109.02959	1.6
109.06591	19.6
110.03736	3.6
121.06548	1.3
126.90478	2.1
127.85275	0.5
133.06625	0.6
135.08131	3.6
136.05251	1.7
136.98801	1.3
137.02435	1.6
139.07733	0.6
141.86777	2.3
142.02673	4.5
143.86510	5.2
153.01849	0.7
161.09767	1.2
162.83905	2.3
163.09923	0.7
163.11298	15.2
178.83405	16.4
178.99878	0.9
179.10794	0.9
181.01440	0.6
181.12326	12.6
181.13774	1.0
189.09251	1.2
195.02968	0.6
195.06563	0.5
197.11835	0.6
206.99356	1.0
207.10252	71.9
208.10585	1.9
224.80536	1.0
224.82643	1.2
224.90535	2.4
225.00481	3.3
225.11316	100.0
225.92632	7.6
226.11610	2.1
244.47572	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0768
Annotation	Ficusol
Peak:m/z	Relative Intensity
69.50697	2.3
69.51106	4.8
71.62141	1.2
79.85614	1.1
93.03463	1.2
95.01406	1.3
98.20673	1.1
102.17080	1.2
106.39676	1.2
108.30539	1.0
109.02901	1.1
111.73483	0.9
114.05586	1.2
121.02972	1.7
123.00921	1.1
137.02449	16.3
138.03232	1.6
151.03993	1.9
151.34818	1.1
153.05565	1.8
165.01927	84.5
166.02251	1.4
179.03491	4.4
180.04277	100.0
181.04904	2.2
195.02983	34.5
195.06616	91.9
196.03403	1.2
196.06931	2.5
198.08842	1.1
210.05319	48.3
225.07672	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0768
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
50.88200	1.5
55.05770	1.2
59.01370	2.8
65.03939	1.4
67.01892	2.5
68.99820	12.3
69.03455	1.9
69.85774	6.7
71.01391	4.6
75.00890	2.1
79.05518	3.3
80.02652	1.6
81.03467	1.7
83.05037	2.1
91.05556	2.6
93.03460	10.1
93.07117	4.0
95.05024	6.1
97.02994	1.7
97.06586	4.2
103.05554	6.4
104.05902	1.3
105.07104	20.2
106.04247	5.1
107.05024	9.1
108.02174	8.9
109.02953	4.1
109.06598	6.6
111.08163	2.6
119.05052	7.6
120.05816	32.1
121.02946	10.8
121.06599	61.6
123.08173	23.2
126.44873	1.4
131.05035	7.7
133.06583	4.6
134.03722	6.1
135.04529	4.9
135.08159	29.9
136.01694	2.1
136.05292	4.4
137.02438	7.5
137.06087	12.9
138.06851	4.5
139.07584	2.8
147.04517	4.0
148.01793	1.6
148.05345	2.7
149.06075	62.3
151.03999	2.5
151.07643	11.3
152.04826	2.2
153.05557	1.7
153.09183	3.1
163.07687	7.7
164.04747	1.6
165.01901	2.9
165.05533	7.8
166.06349	39.0
167.07152	1.8
175.04028	2.3
179.07149	4.7
180.04222	2.3
181.08699	83.9
181.12270	4.6
193.05060	9.8
195.03003	4.0
195.06635	3.0
199.09755	4.0
207.06607	4.2
207.08423	1.6
207.10284	5.4
210.05386	12.9
217.86337	1.4
225.07684	100.0
225.11064	15.6
233.20903	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.6
57.03441	16.7
59.01378	9.5
66.34708	1.7
69.84491	9.1
71.01385	11.7
72.99299	22.7
73.02933	2.9
75.00875	8.6
78.95935	1.9
81.03433	10.4
83.01379	9.8
85.02946	96.4
85.61495	1.9
87.00874	5.4
98.19950	2.5
99.00884	10.1
101.02433	11.8
103.00335	2.6
111.00866	39.7
113.02473	3.4
117.01942	2.3
125.02454	34.8
129.01942	68.8
132.95480	3.9
143.03534	4.9
144.95509	4.0
147.02988	23.0
161.04546	2.4
174.96599	2.9
178.29829	1.8
187.02338	3.1
205.03514	60.6
222.98741	2.2
223.04575	100.0
224.04820	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	223.1339
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03445	1.2
59.01379	7.8
61.98833	3.9
69.03455	6.1
71.05020	1.5
73.02895	0.6
74.99052	0.8
83.05041	1.2
85.06591	1.3
95.05010	0.7
96.96002	0.7
98.20737	1.9
108.05794	0.9
109.06576	1.2
125.09704	0.9
141.86819	5.1
149.09718	1.8
151.03990	0.8
160.84174	1.2
161.13388	1.0
166.06325	1.6
167.10771	7.0
176.83702	16.6
177.12825	1.2
178.09106	0.6
179.10811	4.1
179.14423	9.3
180.14806	0.7
193.01398	1.0
195.13910	27.4
196.14343	0.7
205.12321	19.0
206.12648	0.9
208.03772	0.9
222.82999	2.1
223.02773	2.6
223.13382	100.0
224.13734	3.7
230.40501	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.5
57.03450	17.9
59.01377	9.5
67.01921	0.8
68.99820	1.2
69.58861	3.0
71.01380	12.8
72.99306	4.5
73.02937	3.7
75.00867	5.4
83.01387	10.9
84.02175	2.6
85.02951	100.0
86.03271	1.0
87.00877	5.6
88.01659	1.1
90.05012	0.5
96.95980	1.2
100.88241	0.6
101.02446	11.9
103.00368	2.2
103.04032	1.6
111.00883	49.4
121.02963	11.9
125.02467	0.6
129.01942	29.8
135.04509	2.0
143.03487	0.8
147.03008	7.4
149.02496	3.0
161.04599	3.0
164.04822	1.8
165.01782	0.8
179.03517	5.1
179.05107	0.9
179.07054	0.9
181.47652	0.5
187.02458	3.0
193.01404	0.8
205.03525	47.6
208.03815	1.7
223.04559	52.0
224.04875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68892	1.9
55.01874	2.1
57.03451	14.5
59.01386	8.5
61.36217	1.7
69.38654	1.8
70.84451	5.4
71.01389	9.7
72.99311	19.1
75.00866	9.6
78.95885	2.0
81.03443	8.8
83.01383	7.3
84.02162	3.1
85.02953	81.5
85.03474	4.0
87.00871	8.2
92.96012	3.4
99.00877	10.5
101.02433	9.3
103.00327	1.9
111.00877	36.4
111.47888	1.6
113.02450	3.4
125.02456	29.0
129.01942	53.1
132.95493	3.3
138.88733	1.7
143.03484	5.1
144.95471	6.9
147.03029	18.3
161.04620	4.0
165.04034	2.3
174.96515	3.9
187.02435	2.7
204.97658	1.8
205.03523	51.4
222.98657	3.5
223.04582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0455
Annotation	K 251-1
Peak:m/z	Relative Intensity
51.02399	0.4
59.01385	5.1
62.11419	0.4
70.13602	1.8
73.02953	0.7
79.01901	0.8
91.35233	0.4
98.20081	0.9
98.20618	0.4
101.02456	0.4
107.01393	3.0
119.01408	1.6
135.00874	8.5
139.86258	0.3
150.03172	1.0
161.04617	0.6
162.03242	0.5
163.00372	22.8
177.01958	0.8
179.32480	0.4
190.99857	83.4
192.00134	2.0
201.91107	0.4
205.01416	1.1
206.02194	100.0
207.02553	2.1
218.14734	0.4
221.04539	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	221.0666
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
58.99601	0.9
59.01378	100.0
60.99274	1.6
69.03474	1.0
69.19904	0.8
69.84692	4.8
71.01379	10.0
72.99305	12.4
73.02944	9.8
75.00520	0.9
75.00864	4.8
80.96504	1.0
83.01372	2.8
85.02946	8.7
87.00878	5.0
88.04044	1.2
89.02455	6.2
96.96008	2.2
99.00877	2.3
101.02437	8.9
103.00362	2.0
103.04002	1.3
112.28895	0.9
113.02454	4.6
115.00345	3.2
117.01915	1.5
125.02383	1.5
131.03482	3.9
133.01465	4.6
143.03456	1.3
145.01431	1.8
161.04573	13.4
180.64243	1.0
195.10851	1.0
221.01151	1.3
221.04776	1.6
221.06621	11.9
221.08499	1.5
226.64723	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07660	0.4
54.75254	0.4
55.01876	5.1
55.17519	0.4
57.03448	17.8
58.00588	0.7
59.01377	10.2
67.01874	0.9
68.99811	1.9
70.38869	1.4
71.00967	0.7
71.01378	13.8
72.99303	5.2
73.02954	2.7
75.00873	6.1
83.01385	11.2
84.02172	3.0
85.02949	100.0
85.38560	0.4
86.00073	0.4
86.03311	1.1
87.00881	4.9
88.01657	0.8
93.10349	0.4
93.87680	0.4
99.00865	0.7
101.02438	12.6
103.00359	1.7
103.04037	1.4
111.00880	48.8
112.01253	0.5
113.57635	0.4
121.02962	0.5
125.02444	0.9
129.01942	31.7
130.02237	0.5
135.04512	0.5
136.07707	0.6
143.03484	1.6
147.03001	8.0
149.02419	0.8
150.72679	0.4
159.02942	0.5
161.04572	2.7
164.04758	0.6
171.34889	0.4
173.00891	0.6
179.05637	0.6
179.08299	0.6
187.02469	3.2
193.01404	1.0
205.03517	48.7
208.03766	1.1
223.04568	50.8
224.04959	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52898	1.1
55.84436	1.4
59.01379	100.0
61.98822	3.4
67.19753	1.4
69.43817	6.7
69.44238	3.6
89.86784	1.4
98.20292	5.6
149.95692	1.3
157.67061	1.7
162.31154	1.4
203.03496	1.7
204.04279	4.0
219.06648	3.3
219.10165	3.4
219.17514	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	219.9775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.2
59.38234	0.2
60.01702	0.3
61.98829	100.0
67.66829	0.3
69.35598	1.8
73.02959	0.3
77.32352	0.2
80.11785	0.2
102.27512	0.2
102.89079	0.3
103.92026	0.4
109.73476	0.2
121.32265	0.2
159.97490	0.3
160.84229	1.2
161.04544	0.4
177.96635	0.2
177.98849	0.3
178.98581	0.7
219.17560	1.4
219.85495	0.3
219.97775	4.7
220.17766	1.1
220.99666	0.6
228.18042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
64.01916	0.3
65.99834	0.9
68.17332	0.3
71.01364	1.7
71.05000	1.0
71.52718	0.5
74.02461	0.8
75.30671	0.3
76.01907	1.8
88.04037	9.4
90.03484	0.4
91.17791	0.3
92.05046	0.6
102.03545	0.3
108.04546	1.3
109.02991	0.4
111.04486	0.4
116.01795	0.4
118.02990	4.8
119.01404	0.4
120.59589	0.3
130.02982	19.3
131.01723	1.3
131.03279	0.4
133.01672	1.4
136.04013	0.8
144.04565	0.7
146.02481	11.5
146.08231	4.2
172.04034	0.8
174.01955	100.0
175.02328	2.5
204.04266	0.4
218.00887	5.0
218.04726	0.6
218.08263	0.7
218.10220	2.5
219.17476	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1033
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
51.09475	0.6
55.48918	0.5
59.01381	3.1
63.88358	0.5
69.65231	2.5
71.01376	10.1
71.05022	18.4
72.00922	1.1
74.06995	0.5
88.04041	100.0
89.53185	0.4
99.04521	5.9
112.65859	0.5
116.07175	2.0
129.05592	1.7
130.02982	3.1
131.01743	0.6
146.02477	2.3
146.08229	50.1
147.08597	0.9
172.21414	0.5
174.01961	18.5
175.03906	0.6
180.82921	0.5
218.10335	33.7
219.17450	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01694	0.9
60.61473	0.4
67.34304	0.4
68.92761	0.4
71.28164	1.1
74.16848	0.4
81.78548	0.4
88.68005	0.4
89.38587	0.5
90.97137	1.6
110.97941	0.5
118.96634	0.8
125.48475	0.4
132.98199	3.2
157.00006	0.5
164.13280	0.4
174.99234	29.5
189.35556	0.4
206.05820	0.4
211.35098	0.6
217.00279	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	211.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19455	0.3
59.01357	0.8
61.98825	5.1
69.03451	0.5
70.90197	0.5
95.01384	0.6
98.20008	0.3
103.92016	0.3
104.92827	0.3
106.34972	0.3
119.56990	0.3
121.92258	0.5
123.00858	0.3
155.10724	0.4
165.12764	0.4
167.10741	0.7
167.14397	1.5
183.13893	12.2
184.14037	0.2
193.12302	3.1
210.94917	1.1
211.13380	100.0
211.94704	0.6
212.13675	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	213.113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.6
59.01379	14.5
61.84149	0.5
61.98835	0.7
71.54377	0.9
79.07405	0.5
91.26633	0.5
97.06606	1.1
108.02178	4.7
118.92436	0.9
120.89915	1.2
123.04541	1.0
125.02417	0.9
135.04604	0.5
150.68053	0.6
151.00334	0.8
151.11288	13.6
153.05566	1.4
168.98911	4.0
169.01337	0.7
169.12331	100.0
169.99620	0.6
170.12651	1.8
184.90234	0.6
194.99295	0.7
195.10274	1.0
195.13898	0.6
197.99258	1.4
213.01604	1.4
213.05612	0.8
213.09268	1.2
213.11298	19.8
213.14769	4.7
213.18544	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
58.00629	0.6
59.01380	9.0
61.59338	0.5
61.98840	1.0
69.03466	0.5
71.47504	0.6
90.00869	0.4
97.03006	0.6
97.06607	0.8
108.02167	2.2
118.92433	0.8
120.89890	1.0
123.04540	0.8
125.02488	0.5
151.11298	10.5
153.05602	0.6
168.98949	4.2
169.12343	100.0
170.12680	1.9
183.13829	0.6
184.90327	0.5
186.38937	0.5
194.99416	0.5
195.10258	1.4
213.01706	0.8
213.11333	21.8
213.14774	4.0
213.18391	0.6
214.11559	0.5
217.73445	0.5
223.66769	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01376	0.5
59.63665	0.5
61.98831	2.5
67.97418	0.4
69.03442	0.5
72.78468	0.3
74.75877	0.4
83.05058	0.4
98.20284	2.3
109.97038	0.4
121.46464	0.4
143.31943	0.4
155.10736	0.6
167.10826	0.7
167.14365	1.0
183.13908	12.3
193.12341	3.2
207.02879	0.4
210.94987	0.7
211.13387	100.0
212.13663	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	210.0408
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
64.01901	0.4
64.70196	0.4
65.36838	0.4
69.05782	0.4
69.57775	2.6
75.83772	0.4
76.94476	0.4
77.03977	0.6
77.16111	0.4
85.02937	0.7
86.03288	1.3
92.05070	1.1
94.06625	0.6
103.04280	1.7
104.05066	37.7
108.02172	0.5
109.02956	0.5
120.04550	5.7
122.06120	1.4
124.04070	1.5
148.01622	1.9
148.04048	54.4
149.04399	0.8
152.01212	0.5
153.05565	1.6
163.04012	2.0
166.05090	100.0
167.05386	0.8
181.05048	2.6
184.11815	0.4
192.02446	0.6
210.04076	14.9
211.06247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0611
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
55.01894	1.1
57.03444	1.4
59.01376	1.7
62.06414	1.3
69.03427	1.4
69.81379	2.2
69.81774	3.6
72.99295	5.0
77.95107	1.1
81.03471	1.2
93.07066	3.7
94.25443	1.3
95.01381	3.7
95.05015	1.3
96.96010	5.7
97.03007	1.3
97.54397	1.1
99.32975	1.5
99.43556	1.3
102.81588	1.2
105.05387	5.9
107.05023	1.7
108.02176	10.7
109.02969	12.0
109.06572	2.0
111.00904	1.5
111.08174	1.3
113.99562	4.6
120.02155	6.8
121.02932	1.3
121.06558	3.4
123.00886	1.6
123.04543	6.7
123.08147	3.0
124.01590	1.4
124.04019	1.2
126.80998	1.2
134.03740	1.7
135.04449	2.2
136.01631	3.8
137.02431	1.8
137.06131	2.7
138.03198	2.4
139.07632	1.4
148.01666	81.5
149.02364	2.0
149.04375	8.0
149.06096	2.4
152.01183	7.9
153.05568	73.0
160.88336	1.2
163.04005	77.6
165.01874	3.3
166.02737	5.9
166.05084	2.3
167.03394	2.2
167.04105	1.3
167.05453	15.8
167.08351	1.7
179.03439	2.8
181.05061	100.0
182.05469	1.8
196.03764	11.8
204.03419	1.2
211.02682	2.9
211.04477	2.3
211.06104	45.5
211.13390	7.3
211.28900	1.1
218.09146	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.35287	0.8
55.01884	1.2
55.74026	0.8
57.03428	1.2
59.01378	1.6
66.86444	0.7
67.21010	1.0
70.21904	3.1
71.01377	1.2
71.05016	6.1
73.02934	3.9
80.02699	0.9
81.03479	2.7
83.05029	16.2
83.36670	0.7
84.02140	2.2
85.02955	3.6
85.06589	1.1
93.03466	1.8
95.01343	0.8
95.05012	6.4
97.06590	100.0
98.06908	1.1
98.20307	1.6
106.04269	1.0
107.08710	0.9
109.02926	1.7
109.06602	12.9
110.03706	1.7
111.04524	6.6
111.08120	1.5
111.88581	0.8
113.06085	5.2
115.06345	0.8
121.02956	24.0
121.06558	2.0
123.04478	1.6
123.08178	1.1
125.06048	0.8
125.09730	1.1
135.08170	35.8
137.06104	3.0
139.07646	6.3
151.07658	2.2
152.08405	0.9
153.09236	8.0
162.06880	1.3
163.11247	6.0
164.22366	0.8
165.05569	1.2
165.09216	26.5
165.12799	1.1
166.91138	0.8
172.88576	0.9
173.09735	3.3
179.03500	1.6
181.12381	3.4
181.49068	0.8
191.01973	0.8
191.10791	26.5
209.02853	1.2
209.04558	3.0
209.11830	36.2
216.47125	0.8
217.94608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.9491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90985	0.2
59.01371	0.2
61.98830	100.0
70.71729	0.4
70.72056	0.2
75.40530	0.2
86.09601	0.2
88.11348	0.2
124.04069	0.8
132.27263	0.2
156.49860	0.2
163.95651	0.6
164.96399	0.6
166.99066	0.2
209.94891	44.1
210.94922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1181
Annotation	Pulchellon
Peak:m/z	Relative Intensity
57.03448	5.4
58.00593	1.2
59.01381	4.4
61.98824	11.2
65.00327	1.0
67.01874	0.7
69.03445	2.9
70.58908	1.7
71.01379	22.6
71.05016	1.7
73.02946	2.0
74.68851	0.8
79.78223	0.9
80.02678	1.6
81.03446	2.8
83.01385	2.1
83.05029	5.1
84.02165	2.2
85.02950	3.1
87.55824	0.7
89.07793	0.8
92.99813	2.7
93.03454	3.1
94.02979	1.1
95.01402	0.8
95.05021	2.9
97.02946	1.1
97.06562	5.0
107.05040	1.3
108.02161	1.6
109.02977	1.0
109.06593	1.4
111.08135	2.0
112.01676	0.9
121.02959	48.9
123.08138	1.7
124.04029	2.8
124.11473	0.8
125.02438	0.9
125.09721	8.4
134.03714	1.7
135.08188	1.8
136.98840	1.1
137.02399	1.5
137.06065	1.3
137.09703	2.1
145.10245	3.3
147.08174	1.1
147.11778	3.1
149.09697	1.5
151.07610	1.2
151.11281	26.5
151.12508	1.4
152.92354	0.8
153.12811	5.5
161.09712	1.4
163.11282	11.7
164.98277	1.5
165.01906	1.3
165.05603	0.9
165.09258	1.4
165.12842	19.5
167.10724	1.4
173.09708	2.9
179.03342	0.8
179.10831	5.4
181.12331	55.0
182.12683	1.7
187.75003	0.7
191.10783	21.1
194.02214	1.1
194.05745	0.9
209.01030	2.1
209.04587	8.4
209.11812	100.0
209.94887	3.6
210.12122	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	209.1181
Annotation	(+)-7-Isojasmonic acid
Peak:m/z	Relative Intensity
57.03451	7.4
58.00575	0.6
59.01385	4.3
60.67872	0.7
61.98830	6.9
62.36522	0.6
65.00327	0.8
69.03436	2.3
71.01382	18.2
71.05025	1.2
71.53176	0.9
73.02942	2.3
80.02650	1.8
81.03479	3.3
81.93111	0.6
83.01379	1.5
83.05033	4.3
84.02157	1.3
85.02941	2.8
91.01897	0.8
92.99823	2.6
93.03455	3.2
94.02972	1.0
95.05026	3.0
97.02962	0.8
97.06584	5.8
99.04532	1.2
107.05057	0.8
108.02166	0.7
109.06569	1.1
111.08127	4.0
112.01698	0.8
120.02140	0.8
121.02956	54.1
122.03282	0.7
123.08138	1.0
124.04026	2.5
125.02427	0.6
125.09739	5.7
130.37651	0.6
134.03729	1.2
135.08150	1.3
136.01691	1.2
136.98814	1.0
137.02472	0.8
137.06055	1.6
137.09761	0.7
140.68791	0.6
144.00650	1.3
145.10233	2.8
147.11771	1.8
151.11288	27.6
153.12837	3.9
161.09720	2.0
163.11301	7.6
164.94193	0.8
164.98276	1.4
165.01901	1.4
165.05478	1.0
165.09158	1.3
165.12842	26.1
167.10759	1.1
173.09694	2.3
179.03471	0.9
179.10768	9.2
181.04999	0.6
181.12338	37.8
182.12624	0.9
191.10776	15.2
194.02229	0.9
208.93274	0.8
209.00903	1.7
209.04584	7.4
209.11818	100.0
209.94843	1.5
210.12149	2.0
225.11249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01878	2.7
57.03452	1.6
59.01359	0.8
61.98829	11.2
68.99809	0.3
69.03443	0.8
71.01370	0.8
71.05007	0.9
73.41626	0.2
80.02670	0.8
81.03462	4.2
83.01386	23.6
83.05031	3.3
84.02176	1.3
85.02952	0.5
89.02411	0.2
92.99837	0.5
93.03447	0.7
95.05038	1.0
97.02957	0.4
97.06589	4.2
98.20701	0.4
98.94234	0.2
99.04535	0.4
106.04259	0.3
108.02208	0.3
109.06595	0.7
110.03695	0.4
111.08163	0.6
120.95223	0.2
121.02956	8.2
123.08167	1.9
124.04040	0.6
125.06115	0.4
125.09721	21.0
126.10039	0.3
135.08180	2.0
137.02391	0.3
137.06047	0.2
142.02733	0.4
147.11816	1.0
149.09659	0.4
163.11287	9.5
164.94069	0.2
165.09164	0.2
165.12846	3.1
167.10735	0.7
173.09758	0.5
181.12344	1.6
191.10779	6.7
192.10976	0.2
209.04605	1.8
209.11815	100.0
209.94876	4.8
210.12152	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	209.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53778	0.7
51.82099	0.7
52.47552	0.8
56.53600	0.9
62.21935	0.9
66.01042	0.9
66.26302	0.7
69.98720	3.1
70.17878	0.8
81.03485	1.1
85.02937	2.8
86.52127	0.8
91.80042	0.8
93.03452	0.9
98.20591	0.9
98.80009	0.7
107.05053	1.1
121.02954	9.4
121.06580	1.0
123.04513	4.1
151.04008	23.9
179.03494	91.2
180.03882	1.7
193.05057	1.4
194.05838	100.0
195.06194	2.9
203.09833	0.9
209.04785	1.3
209.08182	36.1
209.11519	5.1
210.08344	1.3
210.72784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
56.35311	0.5
57.03442	3.9
59.01378	100.0
61.33157	0.5
69.46250	4.5
80.02698	0.8
81.03460	1.9
83.14416	0.6
85.02976	1.6
93.03471	0.8
97.06585	4.3
98.20631	1.1
109.06580	4.6
117.85926	0.6
121.02946	11.0
137.02467	0.6
165.12874	5.0
168.45161	0.7
181.85048	0.6
183.40819	0.5
209.04559	1.8
209.11810	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
55.26669	0.4
59.01383	2.4
61.98831	44.8
70.88649	1.1
71.01377	0.6
72.65690	0.4
84.81644	0.4
85.02948	2.0
85.20303	0.4
92.99828	0.9
93.03452	1.0
97.06593	0.4
121.02961	17.8
121.52324	0.4
136.01692	0.5
136.98857	0.4
137.02455	1.0
137.06093	0.6
164.94054	1.0
165.01888	0.5
165.12810	0.4
166.02898	0.5
176.87672	0.5
209.00819	1.2
209.04745	2.4
209.11821	100.0
209.94893	17.2
210.12169	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	209.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
59.01384	2.5
70.21428	1.7
71.01384	3.1
72.99332	0.5
75.00877	0.6
77.03989	0.5
78.00841	0.5
85.02952	11.4
87.00869	0.9
89.02458	1.4
91.01914	1.7
91.86526	0.5
93.03467	1.8
95.05036	1.1
98.19876	0.5
105.03448	5.2
107.05056	0.6
111.00891	0.7
120.02194	2.7
121.02956	100.0
122.03263	1.1
122.98689	0.5
127.71310	0.5
129.01933	1.4
133.01440	0.7
133.02934	3.0
135.63206	0.4
136.01653	1.3
138.01138	0.4
150.03218	1.8
151.04010	15.7
161.02437	41.1
162.02831	0.6
165.05585	0.9
176.01216	0.6
176.04776	20.8
179.03496	61.8
180.03825	1.1
181.05074	0.8
191.01939	2.4
191.07111	7.8
194.05833	60.9
195.06258	0.9
208.99165	0.9
209.02956	2.1
209.04643	15.6
209.08182	21.9
209.11726	1.4
223.71120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0302
Annotation	mucic acid
Peak:m/z	Relative Intensity
51.21291	0.5
55.01875	2.5
56.56593	0.4
57.03448	15.6
59.01377	19.5
68.99817	2.3
69.62825	2.6
69.68301	0.5
71.01381	25.2
72.99299	4.6
73.02946	1.6
74.99125	0.5
75.00867	4.3
79.75587	0.5
83.01365	3.1
84.02161	3.3
85.02948	100.0
86.03294	0.7
87.00874	10.2
89.02441	9.4
98.19978	0.8
99.00883	1.8
101.02444	2.9
103.00364	2.8
111.00880	5.6
112.98752	0.8
115.00364	1.3
119.03524	0.9
121.03175	1.7
129.01941	16.1
132.89558	0.4
133.01433	8.8
142.99837	3.6
147.02968	4.5
159.02974	2.1
161.59401	0.5
173.00967	2.9
173.02171	0.5
191.01970	22.9
209.03023	25.6
209.06598	18.0
209.08618	0.8
216.74149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0301
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
55.01867	1.8
57.03447	11.2
58.00586	0.4
59.01381	11.8
59.01687	0.6
59.95897	0.3
60.03681	0.5
67.60419	0.3
68.99804	1.4
69.51670	2.3
71.01381	21.4
72.99306	6.3
73.02927	0.7
75.00871	4.7
83.01385	2.0
84.02160	2.8
85.02949	100.0
86.03308	0.6
87.00880	2.8
89.02444	7.6
97.06590	0.4
99.00879	0.7
101.02477	1.0
101.30917	0.4
103.00362	2.3
111.00883	5.6
115.00368	2.3
121.02934	1.2
129.01949	8.7
133.01433	10.1
147.02991	4.8
153.09105	0.4
154.89008	0.4
164.07187	0.4
166.05035	0.5
173.00916	2.3
179.10823	0.5
191.01967	29.5
209.03009	32.4
209.08189	0.9
209.11742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22118	0.1
52.10476	0.1
57.65416	0.1
59.01375	1.6
61.98829	100.0
62.98510	0.1
69.49942	0.1
71.51671	0.2
83.21425	0.1
84.17746	0.1
89.21693	0.1
107.45135	0.1
121.03019	0.1
129.01932	0.4
147.02985	0.3
162.98492	1.2
164.96477	0.2
174.88655	0.1
177.01903	0.9
192.04294	0.9
206.97432	10.2
207.06664	0.4
207.97479	0.3
226.92853	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10044	0.6
58.02973	30.4
70.02977	12.6
70.13794	2.6
72.00903	4.7
79.85513	0.5
80.71262	0.5
89.22285	0.6
90.59629	0.5
91.05530	12.5
103.05550	1.8
107.01402	1.2
135.00890	1.7
147.04514	34.6
148.04764	0.7
162.09230	1.5
163.00406	3.3
164.07158	100.0
165.07474	2.0
190.99864	8.6
206.02199	2.3
206.08214	47.6
207.08540	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1597
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.01371	0.8
71.01383	0.5
71.52663	0.4
72.99295	0.3
75.00870	0.3
87.62208	0.2
99.00903	0.3
115.00363	0.4
125.14510	0.2
147.56027	0.2
161.06104	0.2
189.12901	1.3
205.01385	0.3
205.15961	100.0
206.16302	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	206.0822
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
51.96054	0.9
53.20210	0.8
55.01109	0.9
58.02977	75.6
58.73177	0.8
59.01369	1.1
69.59540	5.7
70.02978	11.0
72.00919	5.4
77.14840	0.9
78.27188	0.9
91.05534	12.5
98.20599	1.7
103.05486	2.1
132.75456	1.0
135.04494	1.1
135.56158	0.9
139.79356	0.8
147.04520	32.1
164.07164	100.0
165.07460	1.0
179.73106	0.9
206.08209	44.6
207.08556	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08743	0.4
55.01873	2.2
55.33735	0.4
57.03450	2.5
58.00592	0.7
59.01379	17.2
61.59211	0.4
67.01884	1.6
68.99828	1.7
69.03458	0.9
69.94951	1.6
69.95313	0.8
71.01385	25.1
71.04985	0.4
72.99314	10.9
73.02953	8.0
73.11475	0.4
75.00874	7.6
81.03448	2.0
83.01389	5.8
83.05028	12.2
85.02953	40.6
85.06580	0.6
86.03298	0.5
87.00876	9.5
87.04530	1.3
88.98833	0.5
89.02422	1.9
92.47635	0.4
93.03463	1.4
96.99316	1.7
99.00881	9.5
99.04521	1.3
101.02448	4.4
103.00372	1.4
109.02957	2.2
111.00883	11.3
111.04522	100.0
112.04878	1.6
112.98762	0.7
113.02484	1.0
115.00370	19.5
115.04005	1.2
115.07642	0.7
116.05058	0.6
117.00211	0.6
117.01981	3.4
117.03478	0.7
117.05421	2.8
119.05053	0.6
121.02965	1.5
124.98805	2.9
125.02451	7.0
127.00384	2.3
127.04000	0.9
129.01924	3.2
129.05568	1.7
129.09200	0.5
131.03500	3.2
133.02966	0.9
133.04918	0.5
133.06561	0.9
135.04555	1.0
141.05595	1.4
142.99861	4.9
143.03448	0.7
143.07135	1.3
144.04573	0.8
145.01430	4.7
146.03749	0.7
147.04449	0.5
149.06044	0.5
154.99899	3.2
157.01425	0.7
159.03105	0.5
159.04459	0.9
160.04056	2.4
161.02350	0.8
161.04413	19.4
161.06082	1.9
161.48674	0.4
162.03279	0.4
162.89363	1.4
173.00989	0.9
173.04547	27.3
175.02463	1.5
175.03912	0.5
177.02040	0.5
177.05595	1.8
187.02412	1.1
187.03955	1.0
187.08029	0.5
187.09744	0.4
187.41290	0.5
190.02740	1.8
205.01575	0.7
205.03465	9.3
205.05153	3.6
205.07175	2.1
205.08789	1.0
205.10638	2.2
205.12453	0.5
205.15952	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	205.0352
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
55.01870	11.2
57.03429	11.5
58.00596	3.7
58.02951	2.7
59.01378	79.5
67.01886	5.2
68.99795	9.3
69.03451	6.1
70.64642	6.0
71.01381	97.9
71.05003	4.2
72.99310	65.1
73.02946	20.2
75.00872	37.5
81.03437	12.9
83.01391	17.8
84.99314	3.5
85.02938	24.8
87.00878	60.7
89.02430	6.9
95.01392	3.5
96.99303	7.7
97.20863	2.6
99.00877	44.4
99.04506	11.6
101.02457	17.3
103.00366	7.9
111.00887	64.6
112.98810	9.7
113.02457	6.7
115.00372	100.0
115.03982	5.0
117.01956	17.9
118.03329	3.2
124.98817	14.4
125.01528	4.3
125.02439	59.0
127.00390	13.8
129.01949	17.9
142.99873	24.7
143.03477	9.7
145.01443	26.8
145.05034	6.2
154.99838	19.2
157.01350	3.3
159.08572	4.9
161.04414	6.7
173.00874	7.7
175.02419	9.6
187.02434	8.6
187.06155	3.2
205.03494	48.6
205.07114	8.0
205.08971	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	205.0353
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
55.01870	8.6
55.29637	2.2
57.03444	5.3
58.00579	3.6
59.01379	76.0
68.99824	11.5
70.34233	5.2
70.34569	3.4
71.01384	85.3
72.01693	2.3
72.99309	41.4
73.02936	10.3
73.03307	2.0
75.00871	32.7
83.01382	13.0
85.02956	7.5
87.00880	44.2
89.02447	10.3
96.99320	7.6
99.00887	38.7
100.53892	2.3
101.02440	8.7
103.00374	4.9
111.00849	16.7
112.98818	29.2
115.00371	100.0
117.01944	16.3
124.98811	13.5
125.02479	5.0
127.00362	13.3
129.01917	15.8
129.19998	2.0
131.03604	2.2
142.99878	22.5
145.01431	17.8
154.99841	16.7
173.00903	3.7
175.02493	11.2
205.03517	10.2
205.09033	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	204.0876
Annotation	N-Acetyl-D-fucosamine
Peak:m/z	Relative Intensity
57.03448	2.2
58.02975	15.5
58.24950	0.8
59.01373	3.4
61.72009	0.8
69.03457	3.0
69.26721	6.2
69.27129	2.1
70.02996	0.8
71.01381	5.8
72.04558	2.0
72.99310	4.2
73.02942	1.1
74.02496	0.9
75.00872	2.1
80.48211	0.8
81.03462	0.9
83.01393	0.9
84.04554	3.2
84.23798	1.1
85.02959	14.6
86.06087	1.4
87.00867	3.1
88.04063	2.7
98.06123	6.4
99.00892	1.8
99.03908	0.9
99.04492	1.1
100.04050	14.0
100.07717	1.1
101.02448	1.4
108.04564	3.7
110.06117	3.5
111.00887	1.7
112.04872	1.8
112.07669	1.3
114.05615	3.3
114.09250	2.5
115.00375	4.6
116.07175	14.5
117.01933	1.3
124.07681	3.4
125.02461	7.1
128.07205	2.8
138.05626	3.5
140.07184	21.1
142.08720	2.1
144.06688	1.6
145.01460	1.6
158.08226	41.0
160.04128	2.6
162.07724	4.2
168.06674	3.4
186.05022	1.1
186.07687	17.1
187.02470	1.2
202.07156	1.5
204.05780	2.7
204.08763	100.0
205.03551	4.1
205.09052	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38301	0.1
59.01379	6.4
60.01709	2.9
61.01809	0.7
61.98830	100.0
68.89588	0.1
71.13289	0.1
71.27889	0.3
86.36161	0.2
93.01301	0.2
127.13757	0.1
134.12878	0.1
160.03787	0.2
203.98380	0.2
204.00037	1.3
204.02663	1.1
220.69984	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0301
Annotation	Xanthurenic acid
Peak:m/z	Relative Intensity
54.86877	0.3
59.01389	0.4
69.75460	1.4
70.47899	0.3
71.01375	0.4
78.13570	0.3
82.65662	0.3
84.86642	0.3
113.02435	0.4
113.53822	0.2
114.02799	0.3
116.05061	16.5
117.03463	0.4
128.16566	0.2
129.17630	0.3
132.04594	1.6
142.05888	1.2
159.03233	1.8
160.04034	100.0
160.68983	0.3
161.04370	1.0
165.42412	0.3
175.02771	0.4
186.04898	1.4
193.21155	0.3
204.03001	16.2
204.05991	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0826
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
59.01379	13.0
69.03448	1.7
69.75902	3.8
71.01376	5.0
72.00909	26.6
72.99314	0.9
74.02474	31.3
75.00854	1.0
81.88239	0.8
83.56722	0.8
85.02941	1.1
87.00816	0.9
95.05019	1.8
97.06588	4.5
99.00842	0.8
103.92030	4.8
104.97768	1.3
112.88013	0.9
112.98793	1.2
113.02452	9.8
115.07645	5.3
116.05063	100.0
117.05399	0.8
125.02444	4.7
130.06599	2.5
130.94351	1.6
131.05025	4.9
132.08154	1.0
140.98262	1.4
141.05568	11.7
142.06625	27.3
147.04514	1.1
148.95424	2.2
157.07700	1.4
159.04485	1.3
159.06578	1.0
159.09267	19.7
160.04025	6.5
161.04767	1.2
175.03970	2.1
185.04541	16.6
186.05629	4.7
188.04733	0.9
203.03455	6.4
203.05547	6.6
203.08249	74.1
204.03117	1.4
204.08600	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30962	1.1
57.03444	2.4
59.01381	21.4
69.03452	6.5
70.52857	3.6
71.01386	14.0
72.11781	1.1
72.99295	4.2
73.02950	3.2
75.00867	3.7
81.03422	1.7
82.67506	1.2
83.01374	3.6
83.05012	4.4
85.02938	18.1
87.00873	4.5
87.04542	2.4
95.05018	9.0
97.02940	4.3
97.06584	31.3
98.00101	1.6
99.00847	1.2
99.04511	2.6
101.02399	1.4
110.15640	1.2
111.04524	33.1
113.02445	46.9
113.06075	2.6
115.04003	2.4
115.07648	19.1
116.72512	1.3
123.04488	2.8
125.02427	17.9
127.03995	2.1
129.67261	1.5
131.04964	2.5
139.04005	17.3
141.01913	2.5
141.05579	58.8
142.05852	1.5
159.06633	5.8
160.04077	3.1
167.03471	2.7
177.95132	1.0
185.04539	67.9
186.04942	1.8
202.51727	1.1
203.01830	2.8
203.03635	4.5
203.05594	100.0
204.05904	1.6
204.08749	2.7
216.63135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27613	0.7
50.36685	0.7
58.12492	0.8
59.01379	12.7
59.56857	0.7
59.64067	0.7
60.66661	0.7
61.78117	0.7
62.07752	0.8
65.30907	0.7
67.53954	0.7
69.03442	3.7
69.75366	2.2
69.75758	1.5
71.01382	15.3
74.77353	0.8
74.89574	0.7
78.06551	0.8
81.03447	1.1
87.04523	0.9
95.05018	11.8
97.06585	23.7
101.02435	1.1
102.94541	0.8
112.01646	0.7
112.98788	1.9
113.02445	40.5
115.07645	29.3
116.05053	14.4
123.04485	0.9
125.02447	29.8
131.03595	1.2
132.04533	1.3
140.98300	1.7
141.05574	90.6
142.05905	1.3
148.04137	0.8
151.04932	0.7
159.03204	1.1
159.06639	6.5
160.04034	83.7
160.32750	0.7
176.67982	0.9
185.04543	100.0
186.04854	2.2
203.03804	1.9
203.05602	45.6
204.02982	12.5
204.05927	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01710	0.7
70.55829	0.5
70.56211	0.6
70.93918	0.2
92.63755	0.3
115.83122	0.4
133.80272	0.3
137.14803	0.3
142.51392	0.3
157.03564	7.0
159.01527	2.0
183.18962	0.3
183.31081	0.3
201.02541	17.5
202.02760	1.0
206.29904	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21473	0.6
57.03454	0.7
59.01375	10.2
69.03450	4.1
69.26853	4.2
69.27263	1.8
71.01383	15.2
72.99323	1.8
73.02970	2.3
74.73318	0.6
81.03466	1.2
83.05008	0.8
85.02967	3.0
87.00857	0.7
88.97015	0.7
95.05018	12.8
97.02956	1.3
97.06592	23.3
98.19998	1.3
104.52161	0.6
111.04523	4.7
113.02451	43.7
113.06129	0.9
115.07650	27.0
123.04517	1.6
125.02451	28.8
127.17297	0.6
139.04031	1.9
141.05582	88.9
142.05910	0.9
159.06621	6.9
159.34641	0.7
160.04086	1.1
167.03436	1.4
170.18710	0.6
185.04550	100.0
186.04807	0.8
203.05605	64.1
204.05934	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1339
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
54.19378	0.4
55.01845	0.5
57.03415	0.5
59.01364	1.0
61.98826	0.8
62.75498	0.3
67.01884	0.7
69.29845	3.4
71.01392	0.6
71.05003	0.6
71.72932	0.3
73.02973	0.4
82.31618	0.4
82.78078	0.4
83.01395	0.9
83.05038	0.7
85.02921	0.5
92.99822	0.7
98.18805	0.4
99.00883	1.3
99.04506	0.5
99.08169	0.6
111.00903	2.0
111.04560	0.4
113.02438	1.2
125.02454	0.4
127.00367	0.6
127.04059	0.6
135.44917	0.4
135.70317	0.4
136.98793	0.9
137.09729	0.5
153.12901	0.5
155.10771	2.3
162.83890	1.1
163.11230	1.0
164.83606	1.4
169.12344	5.1
181.12343	19.0
189.66498	0.4
195.22064	0.4
197.11829	1.7
198.98822	0.6
199.13405	100.0
199.80632	0.4
200.13704	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	200.1292
Annotation	2-octanamidoacetic acid
Peak:m/z	Relative Intensity
51.04588	0.9
58.02975	20.8
82.11330	1.0
84.04546	4.1
90.69647	0.9
97.38577	0.8
98.20483	6.0
110.09760	9.5
113.05005	0.8
140.10805	2.2
156.13937	92.8
157.14273	2.1
158.11859	39.5
161.34888	0.9
177.12740	0.9
182.11874	4.3
200.12920	100.0
201.11391	2.8
213.77695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0975
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
52.94078	0.4
56.34940	0.3
61.13041	0.4
67.01904	0.6
69.30650	2.7
71.05019	0.7
73.02940	0.4
74.37613	0.3
83.05014	0.5
92.44146	0.3
92.99827	0.7
93.03494	0.5
98.20589	0.8
99.00878	0.6
109.06652	0.6
111.00877	0.8
113.02451	0.6
113.73505	0.3
125.06061	0.4
127.00350	0.5
135.08119	0.3
137.09743	6.1
155.10780	100.0
156.11153	1.4
181.08739	1.0
182.51852	0.3
194.27992	0.4
197.05981	0.4
199.07886	0.5
199.09744	11.1
199.13367	1.3
199.17009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	ACETOSYRINGONE
Peak:m/z	Relative Intensity
54.47315	0.3
58.08948	0.3
59.01382	0.8
61.38819	0.3
67.01900	0.9
67.43835	0.3
70.15910	0.3
70.16248	1.3
71.47947	0.3
73.35914	0.3
75.00882	1.0
80.96539	0.5
83.45048	0.3
93.03468	0.4
98.20602	0.3
106.08342	0.3
107.05052	0.3
109.02956	2.7
121.02960	0.5
123.04524	1.6
129.01974	0.6
133.02951	1.0
136.01596	0.6
136.05360	0.4
137.02448	18.5
150.03217	2.6
151.04033	2.5
165.01929	85.8
166.02252	1.0
179.03487	1.1
180.04282	100.0
181.04625	1.1
181.86487	0.3
195.02939	1.2
195.05096	1.8
195.06622	26.8
196.06981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.8
57.03451	14.5
59.01377	11.6
67.01895	3.6
70.01354	2.3
71.01377	3.1
72.99308	0.8
73.02950	2.1
75.00872	0.9
83.01385	1.5
84.02173	1.1
85.02950	72.5
87.00878	49.7
93.03457	1.2
99.00882	0.8
101.02447	2.8
103.03985	0.6
111.00882	100.0
122.00571	0.7
127.03996	1.1
129.01947	7.1
130.99878	1.4
131.03455	1.0
144.97429	0.7
147.03001	1.5
154.99814	0.7
173.00890	2.2
173.04475	0.8
191.01991	17.4
191.03546	1.0
191.05597	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	193.0504
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
53.47124	0.2
59.01381	1.2
69.03435	0.2
71.01375	1.2
71.53692	0.2
71.64345	0.2
71.82141	0.2
72.99330	0.2
73.02946	1.2
74.42042	0.2
79.61197	0.2
83.01389	0.2
85.02941	1.2
87.00855	0.6
89.02457	0.2
89.03970	3.3
93.03458	0.7
95.01376	0.3
96.96017	0.5
97.02951	0.4
98.15131	0.2
99.00867	0.9
101.02446	1.8
104.45764	0.2
105.07099	0.6
106.04219	1.0
107.05006	0.3
108.02181	0.4
109.02937	0.3
111.00889	0.3
117.03465	7.2
121.02966	1.4
124.01614	0.2
125.02451	0.4
133.02954	2.4
134.03737	100.0
135.04050	1.3
137.02437	6.4
137.06064	0.4
139.04002	2.2
141.01971	0.2
149.02454	0.8
149.06076	11.8
150.03206	1.1
159.02953	0.2
161.04549	1.7
165.01962	0.4
165.05544	0.4
175.06157	0.2
178.02707	23.5
178.20784	0.2
179.03061	0.6
193.05054	19.8
193.07076	1.6
194.05450	0.4
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
57.03431	3.5
59.01374	20.5
65.96467	1.1
70.58167	2.0
70.58504	1.6
71.01373	13.2
72.99301	7.3
74.27306	1.1
75.00868	100.0
78.95901	4.5
83.01370	2.6
85.02957	9.6
87.00874	16.0
89.02443	7.0
96.95994	3.1
96.96957	7.5
99.00871	14.3
101.02440	2.3
105.01927	9.0
105.18916	1.1
111.00866	4.2
129.01941	36.6
141.01874	2.7
147.03000	4.6
159.02998	13.3
160.68872	1.2
177.04051	9.6
195.05084	91.7
196.05467	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate
Peak:m/z	Relative Intensity
50.13289	0.4
51.99692	0.4
55.01870	0.9
57.03446	13.2
59.01376	6.2
67.01881	3.2
68.99807	0.4
70.67339	1.0
70.67681	0.6
71.01395	4.0
72.99300	1.4
73.02953	1.6
80.22276	0.5
83.01383	1.3
83.05016	0.5
84.02168	1.0
84.08227	0.4
85.02948	75.2
87.00874	58.4
87.87749	0.5
89.02438	0.7
93.03459	2.1
99.00864	2.0
99.04469	0.5
101.02422	2.3
103.00394	0.5
109.02928	0.7
111.00878	100.0
111.04529	1.5
112.01214	0.7
117.01949	1.0
127.04018	2.3
129.01947	6.6
130.99826	1.2
141.40759	0.4
147.02995	2.6
148.94939	2.0
154.99818	0.8
158.79095	0.5
173.00897	3.1
173.04517	1.2
191.01974	18.1
191.05602	35.9
208.09328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
53.88834	0.5
53.90235	0.6
55.01871	1.4
57.03444	12.3
58.93465	0.6
59.01385	4.6
67.01891	3.4
71.01379	2.1
71.14719	1.1
72.99295	0.7
75.00856	0.8
76.15861	0.6
83.01388	1.2
84.02194	1.2
85.02947	64.6
87.00874	44.0
101.02411	0.8
111.00879	100.0
112.01202	1.0
129.01949	6.7
130.99840	0.6
147.03004	1.8
172.01950	0.6
173.00922	2.1
179.40746	0.6
191.01976	14.9
191.03745	1.2
191.05548	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	189.0921
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
54.00418	0.4
59.01364	0.6
67.01900	0.8
69.03457	1.7
69.20222	0.5
71.54462	0.8
81.03461	3.3
83.05028	0.9
86.90398	0.4
93.03454	35.6
94.03821	0.5
107.05004	4.3
109.18162	0.5
115.05495	0.5
117.03445	0.5
119.05031	1.3
121.02923	0.5
133.06601	4.8
136.86517	0.5
141.07114	0.7
143.04962	0.6
143.08638	1.2
143.86525	1.3
145.02933	1.3
145.06583	5.0
145.10222	1.6
147.04507	0.8
147.08084	1.2
148.95868	0.5
159.04561	0.6
159.08145	4.2
161.02415	1.2
161.06084	7.8
161.09709	12.2
171.08148	3.5
172.05232	0.8
187.07658	2.1
189.01819	1.1
189.05579	2.1
189.09203	100.0
190.09465	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	188.0716
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
56.36310	0.2
56.59086	0.3
58.02963	0.4
59.01352	0.4
61.98829	2.0
68.99807	0.6
71.53890	0.5
77.56829	0.3
83.89547	0.3
91.10636	0.3
96.00916	33.5
97.01694	12.5
97.02232	0.2
110.02467	0.4
124.28645	0.3
126.10063	0.6
129.00639	0.4
130.04257	0.7
138.71690	0.3
141.86823	7.7
143.04959	0.5
144.04489	0.3
145.06589	11.2
146.06055	0.7
146.09073	0.3
159.87880	1.6
170.06107	0.8
187.86028	0.8
188.07164	100.0
189.07489	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	188.0352
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
52.03809	0.1
65.99876	0.2
69.67658	0.6
69.68069	0.3
75.38788	0.1
82.23415	0.1
87.92507	0.2
99.47359	0.2
101.98533	0.1
102.03498	0.5
115.95956	0.1
116.05092	0.2
128.59769	0.1
141.75565	0.2
144.04544	100.0
145.04877	1.8
159.03255	0.9
188.03537	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	187.0612
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
57.03450	5.9
57.85391	0.9
58.36439	1.0
59.01383	7.1
59.86803	1.0
61.79868	1.1
70.92472	1.7
70.92783	1.3
71.01387	1.8
71.05024	10.5
72.99307	11.7
81.03451	1.8
81.07101	1.2
83.01392	1.7
83.05017	3.1
85.02959	1.5
85.06586	2.1
87.00875	11.6
95.05045	6.3
96.47329	1.2
97.06583	22.8
98.02467	1.4
99.00875	2.9
99.04498	8.8
99.08127	2.3
101.02444	1.3
107.05009	2.1
111.00819	1.9
113.02418	1.4
113.06094	6.6
115.04012	3.1
115.07661	1.4
116.03518	2.6
125.02460	10.7
125.06089	72.7
125.09702	1.2
127.03997	2.0
131.27272	1.1
135.97430	1.0
139.04015	2.2
141.05569	3.3
143.03490	2.0
143.07147	27.3
144.03024	2.1
144.04538	3.2
159.06631	5.8
169.05063	73.5
187.06110	100.0
188.06387	1.7
192.85751	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12022	1.1
55.01889	1.7
57.03437	4.7
59.01388	5.9
63.12453	1.1
68.10124	1.0
68.73680	0.9
69.87922	5.4
71.01379	2.2
71.05017	6.3
72.04572	1.3
72.99306	3.0
74.02460	1.4
81.07091	1.4
83.05019	2.1
85.01229	1.4
85.02967	1.4
85.06602	10.0
87.00854	3.9
95.05025	2.8
97.06586	12.2
99.00864	1.8
99.04511	2.3
99.08171	4.8
101.02430	1.7
111.00871	1.2
113.06082	25.6
115.03994	2.8
115.07640	11.1
115.08781	2.4
116.03539	2.6
123.04337	1.1
125.02424	3.9
125.06077	30.0
125.09709	3.5
126.09340	1.1
127.00382	2.0
141.05563	2.1
143.07143	30.7
143.11873	2.1
144.02995	2.6
157.31618	1.1
159.06613	41.0
169.05048	26.2
187.06110	100.0
187.10910	3.2
188.06355	1.3
188.09351	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46393	0.7
50.72066	0.9
54.84246	0.7
59.01380	66.6
61.98822	1.0
69.17791	6.6
71.01369	1.3
86.61275	0.8
89.49512	0.8
90.97138	3.3
97.06630	1.3
113.06086	3.0
115.02513	4.1
117.00434	6.7
123.08113	0.9
125.06064	1.0
125.09736	9.5
132.98169	2.0
141.86807	1.0
142.89391	1.8
143.02002	1.9
143.07166	2.0
144.99898	1.5
158.09818	0.8
159.01505	100.0
160.01649	1.5
161.01138	0.9
168.88876	1.2
182.49316	0.8
186.95564	2.1
187.00989	16.4
187.04021	2.1
187.06094	3.2
187.07695	1.8
187.09747	6.0
187.13399	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	179.056
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
55.06225	1.7
58.00581	3.4
59.01379	100.0
69.03457	1.9
69.78572	6.1
69.78994	3.9
71.01379	73.0
72.99314	8.1
73.02955	5.1
75.00867	61.3
79.63719	1.7
81.03466	2.0
83.01379	3.5
85.02945	9.8
87.00875	24.8
89.02439	42.5
91.02205	3.0
95.01373	3.0
97.02957	2.6
98.20557	2.6
99.00886	6.4
99.04489	1.9
101.02441	12.5
113.02450	7.9
117.01897	4.1
119.03515	3.2
125.02451	4.4
135.04546	3.3
143.03476	7.2
161.04536	18.3
179.05603	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0458
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
70.28374	0.7
70.28771	0.5
76.79845	0.2
76.93193	0.2
82.06638	0.2
92.05063	4.1
94.02986	1.0
107.03789	0.3
108.04557	51.2
110.06121	0.8
120.04557	4.7
122.02469	0.9
123.03272	0.9
136.04062	0.7
138.05609	100.0
139.05995	1.2
152.03545	1.2
167.00877	0.3
182.04572	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.3
63.90055	0.3
69.87856	1.1
71.01382	1.8
72.84427	0.3
73.41335	0.3
74.53086	0.3
79.53264	0.3
82.82305	0.3
84.59653	0.3
87.00873	1.3
89.02457	0.9
93.65199	0.3
99.00871	0.7
119.93726	0.9
134.96085	57.9
135.96161	1.4
136.94005	100.0
137.94102	2.1
151.92714	15.3
154.95113	0.4
161.04514	0.7
175.96867	0.3
178.95050	78.3
179.05617	1.5
179.95152	2.0
196.95973	0.4
199.80655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0561
Annotation	1L-chiro-Inositol
Peak:m/z	Relative Intensity
57.03426	1.0
58.00581	3.0
59.01378	60.8
69.03458	1.0
71.01382	41.6
71.05013	3.5
71.28337	1.6
72.99303	13.2
73.02948	7.9
75.00873	100.0
81.03465	7.1
83.01402	1.1
84.67499	1.2
85.02949	6.3
87.00863	11.7
89.02441	27.2
95.01371	1.4
97.02951	1.8
99.00883	8.2
99.04487	2.4
101.02443	4.1
113.02451	3.4
119.03474	1.1
125.02421	1.7
131.03479	1.0
143.03499	13.8
144.52161	0.9
161.04556	16.2
179.05605	71.5
190.75407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0194
Annotation	5,7-Dihydroxycoumarin
Peak:m/z	Relative Intensity
51.02382	0.3
57.03451	0.6
59.01382	7.0
60.65434	0.3
65.00324	0.4
69.31282	2.5
69.51379	0.3
71.01367	1.1
75.00887	0.3
77.03969	8.8
79.83841	0.3
81.73593	0.3
85.02978	0.5
87.00872	0.6
89.02455	0.5
89.03984	3.0
93.03474	1.7
95.05026	12.3
98.19939	0.6
98.20586	0.6
99.00835	0.5
101.02454	0.3
105.03463	38.7
106.03801	0.4
114.23663	0.3
121.02975	2.1
123.04545	3.5
129.01952	1.0
132.02194	2.4
133.02959	100.0
133.06616	1.0
134.03238	1.3
149.02426	1.9
159.02950	0.7
162.03220	5.4
176.81798	0.3
177.01933	13.3
177.05406	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
57.03436	4.9
59.01113	9.0
59.01382	100.0
68.99808	12.4
71.01381	76.0
72.99310	12.3
73.02952	12.8
75.00875	18.0
83.01382	6.5
85.02957	19.1
86.00073	8.5
87.00875	34.6
96.99289	10.3
100.98823	73.2
101.02468	8.7
111.04515	13.1
113.06100	20.1
115.00376	73.3
115.03987	15.9
117.01912	7.0
124.98785	26.3
127.96864	4.6
127.97546	54.4
129.05632	7.0
131.03476	12.9
131.07121	7.1
132.98195	7.4
142.99835	15.7
157.01538	6.2
157.05025	17.9
160.01697	6.2
174.88976	6.7
175.02449	25.4
175.04002	15.4
175.06189	32.6
175.07561	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	173.0455
Annotation	2-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
55.01894	0.4
57.03444	1.0
59.01378	1.7
67.01900	0.4
67.59856	0.3
69.03455	0.5
69.68095	1.1
69.68507	0.7
71.01390	2.6
83.01368	0.4
83.05026	19.7
85.02943	0.8
85.06592	4.6
87.00871	0.7
87.04526	1.2
89.02440	1.0
91.28690	0.3
93.03467	1.3
99.00873	0.8
99.04525	0.5
111.04522	100.0
112.04857	0.7
129.05606	1.5
142.99857	0.7
155.03491	1.1
173.00951	0.4
173.03152	0.5
173.04555	7.9
173.06050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0169
Annotation	Aminosalicylate sodium anhydrous
Peak:m/z	Relative Intensity
53.95797	7.3
59.01369	23.6
60.40404	7.9
69.51970	28.0
69.52378	19.5
71.01368	15.1
71.16471	6.8
83.01379	11.6
87.00879	34.4
94.03783	7.9
98.19907	14.8
109.62884	7.2
115.00364	44.1
139.58826	8.5
154.65866	6.8
157.10542	7.0
174.01697	100.0
175.02505	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	173.0454
Annotation	2-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
55.01865	1.7
57.03456	1.9
59.01381	3.2
67.01870	0.5
67.27849	0.3
68.99815	0.6
69.03445	0.4
69.61033	1.3
69.61443	0.9
71.01382	14.9
71.04993	0.5
72.82023	0.4
72.99329	0.5
73.02945	1.6
73.89223	0.4
78.24844	0.3
78.28324	0.3
80.99800	0.4
83.01385	1.6
83.05025	19.5
84.05336	0.4
85.02953	2.5
85.06596	3.4
87.00865	2.9
87.04512	1.4
89.02438	1.3
93.03462	0.9
95.91595	0.4
96.99317	1.4
99.00885	5.7
99.04511	0.8
101.02476	0.5
102.70157	0.4
111.00889	4.6
111.04520	100.0
112.04857	1.0
112.98827	2.9
113.02475	0.6
115.00375	0.6
124.98800	4.1
127.04038	0.7
129.01949	0.7
129.05591	4.3
140.98305	0.4
142.99855	7.4
155.03488	1.3
157.10945	0.4
168.36835	0.3
173.00929	2.2
173.04541	10.8
173.08105	0.8
174.07780	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
55.01879	3.4
57.03452	3.3
59.00241	0.5
59.01380	4.5
67.01891	1.6
68.99811	2.1
69.21203	4.4
71.01382	44.9
71.05035	0.8
72.99306	1.9
73.02950	2.6
75.27962	0.5
80.99850	0.6
83.01389	5.4
83.05028	22.3
85.02945	7.4
85.06582	3.5
87.00871	3.3
87.04503	0.6
89.02438	1.5
93.03466	1.9
96.99314	2.3
99.00878	16.5
101.02421	1.2
111.00883	10.9
111.04520	100.0
112.04862	1.1
112.98802	9.4
115.00404	1.1
124.98808	12.3
127.04050	0.8
129.01958	3.1
129.05591	5.6
142.99858	20.5
145.05057	0.6
155.03510	1.2
157.91359	0.5
173.00923	9.0
173.04527	9.9
178.46741	0.5
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	Unknow
Peak:m/z	Relative Intensity
53.00323	1.6
55.01875	6.5
57.03453	5.1
58.02971	2.8
59.01384	5.3
60.99269	0.7
67.01889	2.5
68.99816	4.2
69.03450	0.7
70.61123	0.6
70.68689	1.8
71.01383	100.0
72.99313	4.4
73.02950	5.6
75.00854	0.7
80.22334	0.6
80.99823	1.3
83.01391	9.3
83.05038	8.2
85.02947	10.7
85.06606	1.6
85.63825	0.6
86.06136	0.9
87.00868	4.8
89.02479	1.7
93.03452	1.7
93.56610	0.6
96.99325	3.7
99.00880	33.3
100.07700	4.0
101.02415	1.8
104.14938	0.8
111.00894	15.9
111.04523	31.0
112.98813	24.3
112.99618	0.8
115.00381	3.7
122.12093	0.6
124.98806	24.8
127.00341	0.7
128.07188	6.8
129.01988	3.2
129.05571	5.9
140.98289	1.0
142.99863	51.6
143.96300	0.7
145.05040	0.7
154.99823	0.8
155.03558	0.7
173.00906	17.3
173.04533	7.0
173.08157	1.5
174.07730	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	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
58.02749	0.3
58.02976	1.7
60.22195	0.4
62.07930	0.3
62.31178	0.3
65.02122	0.3
67.01912	0.6
68.11740	0.3
69.86446	0.7
69.86850	1.1
71.01394	0.9
81.95007	0.3
83.05015	0.4
85.02911	0.7
93.03461	2.5
93.30704	0.3
94.90596	0.3
99.00970	0.3
105.32660	0.3
111.00887	0.3
111.04554	0.3
123.35098	0.3
126.53711	0.3
128.10818	4.4
129.01950	0.3
130.08737	100.0
131.09064	1.5
144.04559	0.5
172.03978	0.4
172.09764	16.2
173.04463	1.0
178.03445	0.3
185.05713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
51.56235	0.3
57.03470	0.4
58.03006	1.4
59.01402	0.8
63.87778	0.3
67.01917	0.6
69.53419	2.0
71.01413	1.1
72.99326	0.5
73.52818	0.3
82.06620	0.4
83.01391	0.4
83.05074	0.3
85.02969	0.8
93.03452	3.1
99.00922	0.4
110.06939	0.4
110.85631	0.3
111.04548	0.7
111.08172	1.0
112.98814	0.4
127.07648	1.2
128.07985	4.7
128.10805	2.4
130.08736	100.0
131.09062	1.3
144.04524	0.4
172.09749	15.5
173.04556	0.7
173.08192	0.5
189.12520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	1.4
58.05398	0.2
59.01389	0.4
59.50504	0.2
61.27508	0.2
63.73225	0.2
67.01906	0.5
69.03453	0.3
69.80895	1.3
71.01404	1.3
72.04545	0.2
72.98188	0.2
72.99300	0.3
73.02966	0.3
82.06633	0.5
85.02955	0.4
87.00845	0.3
87.61362	0.2
93.03461	2.4
99.00896	0.8
111.00887	0.3
111.04532	0.7
112.98816	2.0
124.98789	0.4
128.10791	2.4
130.08736	100.0
131.09068	1.3
142.99878	0.7
144.04518	0.4
159.05116	0.3
172.04001	0.3
172.09769	16.7
173.04510	0.9
173.10193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	100.0
59.01360	0.5
61.19958	0.6
61.98819	3.3
68.99823	1.2
69.03466	1.2
70.02993	0.8
81.03492	0.7
82.03003	0.7
82.95432	2.1
97.02966	1.1
111.04467	0.6
122.89428	10.1
123.00988	0.6
124.04871	0.8
125.02453	14.4
125.03337	1.0
132.86815	3.8
147.13492	0.7
151.11328	0.9
153.00557	1.3
153.01555	1.9
158.02647	0.6
167.83685	0.8
168.02954	0.9
168.06667	1.0
168.13907	10.9
168.15204	0.7
168.83600	6.1
169.01442	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	171.0299
Annotation	2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid
Peak:m/z	Relative Intensity
55.84615	0.2
57.95751	0.2
59.01379	0.3
65.03954	0.7
67.01895	0.3
69.03454	17.5
70.03764	0.3
70.05140	0.8
70.05543	0.5
71.01382	0.3
83.05034	0.6
85.02944	0.8
97.02948	100.0
98.03282	1.0
99.04519	0.3
99.20478	0.2
111.50068	0.3
112.04105	0.2
112.35690	0.2
115.51656	0.2
123.48908	0.2
127.04003	0.3
141.01927	3.7
171.03000	3.9
171.10268	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0714
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
54.48647	1.6
55.01877	1.7
57.03442	2.3
57.68447	1.2
58.00584	1.9
59.02784	1.1
65.00329	3.1
65.03983	1.9
67.01891	3.3
69.03459	8.3
71.01378	3.1
71.05011	2.5
71.28909	2.3
80.02665	3.0
81.03480	1.6
81.47076	1.4
83.05033	7.4
84.02164	4.0
85.02932	8.1
89.58417	1.3
93.03471	3.2
93.07082	4.9
95.01382	11.6
95.05032	8.3
97.02923	11.8
97.06586	11.2
98.03732	4.6
98.89241	1.5
105.07112	5.8
106.04276	1.5
108.02179	17.2
109.02972	1.7
109.06586	14.4
110.03757	11.7
111.00846	1.7
111.08155	54.1
112.01666	28.0
121.02921	3.4
121.06602	19.8
122.03637	1.5
123.00878	9.8
123.04527	26.1
123.08150	14.3
124.01659	34.5
124.05291	3.0
125.06048	1.8
131.05016	2.4
134.03761	4.6
137.02513	1.6
137.06055	6.3
138.03232	4.6
139.07649	100.0
149.02426	2.3
149.06079	58.0
152.01141	27.2
152.04785	2.2
165.05563	1.6
167.03534	12.3
167.07132	60.2
167.51935	1.5
183.31017	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.051
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94919	0.2
71.53844	0.2
80.05044	0.2
86.55724	0.2
93.03476	0.4
93.99346	0.4
95.01386	0.4
108.02172	1.5
108.04529	0.3
110.06931	0.3
121.02962	8.4
122.03262	1.3
122.06110	0.2
123.00857	0.4
123.04540	0.9
136.05313	8.6
137.05638	0.3
138.05597	0.3
138.07314	0.2
151.00299	0.6
151.02754	19.3
152.01172	2.7
152.03076	0.3
152.96504	0.2
166.05098	100.0
167.03539	1.3
167.05472	1.9
183.01732	7.6
183.39232	0.2
188.68755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0509
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
52.84090	0.2
55.95808	0.2
66.03483	0.8
71.54112	0.2
80.05039	0.3
92.05068	0.5
93.03454	0.6
94.02969	0.2
95.01393	0.5
106.02248	0.2
108.02177	1.2
108.04546	0.2
118.02977	0.3
120.04571	0.4
121.02961	0.6
121.05344	2.0
122.02470	0.4
122.03295	1.1
123.00893	0.7
123.04456	1.3
135.04486	0.7
136.04166	0.7
136.05295	20.5
137.05652	0.4
138.05646	0.5
151.00400	0.5
151.02716	0.2
152.01160	3.2
161.41817	0.2
166.05089	100.0
167.03493	1.5
167.05424	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	165.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.3
59.01369	9.2
69.57106	0.7
69.67156	4.7
71.01379	6.7
72.99303	5.6
73.02951	3.2
75.00870	35.0
77.03970	3.1
85.02956	1.1
87.00874	100.0
87.30714	0.7
87.33125	0.7
88.01198	1.3
89.02448	3.0
90.02007	0.8
99.00877	13.0
101.02433	4.8
105.01932	79.6
117.01940	3.5
121.02953	70.6
122.03312	1.9
129.01944	4.2
135.03033	1.9
137.79077	0.8
147.03008	11.2
147.96031	0.8
148.04099	1.4
164.89578	1.6
165.02049	5.4
165.04036	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0404
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
59.01382	9.8
69.05804	1.1
69.85033	1.2
71.01376	6.8
71.40478	1.0
71.40817	1.6
72.12740	1.0
72.99303	4.5
73.02951	2.4
75.00871	40.4
87.00876	100.0
89.02439	1.8
95.03253	1.0
99.00863	13.8
101.02441	4.8
105.01936	79.4
106.79201	1.1
117.01940	3.2
117.28618	1.1
129.01932	3.5
135.03020	1.5
147.02995	10.9
165.04036	80.5
166.04410	1.6
178.45219	1.2
184.64481	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
55.23940	0.4
69.60746	1.8
75.00865	0.6
77.03975	1.5
87.00858	0.9
93.03465	1.7
98.20665	0.6
105.01934	0.6
121.02953	100.0
122.03284	1.1
150.03244	1.1
157.41064	0.4
165.01920	10.2
165.04054	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
52.91220	0.5
59.01380	0.5
71.53815	0.6
72.00911	37.8
75.00874	0.7
77.03986	0.5
77.98583	0.4
87.00876	1.4
91.05542	2.0
91.85470	0.5
92.05061	0.9
93.03448	1.4
97.15777	0.5
103.05537	4.7
105.01936	1.0
109.02926	0.6
119.05037	2.1
120.04553	1.5
120.05376	4.5
121.02962	10.2
122.03757	0.6
128.55249	0.5
130.93336	0.5
137.02429	1.7
146.06140	1.0
147.04521	100.0
148.04881	2.4
149.02454	0.5
150.03212	4.0
164.07162	57.3
164.89499	0.6
165.01947	1.6
165.04077	1.3
165.05547	1.1
165.07544	1.2
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	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.79445	0.4
69.29990	3.5
72.00909	38.7
73.31879	0.6
75.00874	0.8
87.00884	1.7
91.05538	2.8
103.05526	6.4
105.01949	1.8
114.49397	0.5
119.05032	2.1
120.05385	0.9
121.02939	1.6
141.46153	0.5
147.04518	100.0
148.04855	2.2
150.03221	2.3
157.87674	0.6
164.07158	51.6
164.25735	0.5
165.04074	1.2
165.07471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
55.35559	0.1
59.01371	0.2
70.46490	0.2
70.67575	0.6
91.05538	1.8
93.03446	1.1
101.02464	0.3
119.05029	100.0
120.05355	1.6
131.54039	0.2
135.04491	0.4
163.04010	9.3
164.04291	0.2
176.58278	0.2
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	m-Coumaric acid
Peak:m/z	Relative Intensity
54.64349	0.1
57.25272	0.1
58.02850	0.2
59.01388	0.3
60.64198	0.2
62.23776	0.1
62.88676	0.1
68.59756	0.1
69.33646	1.3
77.73763	0.1
91.05594	0.2
93.03439	0.9
98.20628	0.3
111.23792	0.2
113.52106	0.2
117.03510	0.3
119.05027	100.0
120.05345	2.0
135.04512	0.3
143.47401	0.2
163.00320	0.5
163.04008	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0764
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
53.54630	0.1
59.01389	0.3
61.30837	0.1
66.03534	0.2
69.31874	1.2
71.01408	0.2
73.02943	0.2
91.01891	0.3
91.05527	0.2
93.03481	0.5
98.20323	0.7
103.30295	0.1
105.03515	0.2
106.04359	0.1
118.99245	0.2
119.05024	8.5
120.05323	0.2
121.02967	1.4
122.03715	0.3
141.37961	0.2
145.22725	0.1
147.04520	2.9
148.05299	100.0
149.05624	2.4
162.83936	1.4
162.89418	0.3
163.00386	0.8
163.03986	1.5
163.07642	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	163.1122
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
54.73169	1.7
56.72686	1.7
57.38218	1.9
59.01385	3.2
61.98832	33.7
70.25736	3.3
70.26134	3.9
71.01369	2.7
73.02949	2.4
91.01933	2.0
92.01395	3.3
93.03458	3.6
98.19960	2.4
115.92080	2.5
116.92096	22.3
117.91889	4.0
118.99255	44.1
119.01429	2.7
119.05027	92.0
120.05368	3.1
125.54547	1.7
135.00943	3.3
162.83963	3.5
162.89323	2.6
162.91434	3.8
163.00401	9.9
163.04015	11.1
163.06158	2.2
163.11292	100.0
163.99844	2.4
177.84552	2.2
181.27286	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	161.0456
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
55.01860	4.4
56.71138	1.3
57.03452	25.7
58.00568	2.4
59.01378	67.4
62.99538	1.5
69.03439	3.1
70.70260	2.5
70.70594	2.5
71.01382	87.2
71.05023	12.5
72.99297	5.2
73.02941	47.0
75.00868	3.6
81.03451	9.6
83.01392	23.0
83.91861	1.2
84.02172	2.4
85.02950	100.0
86.03261	1.5
87.00870	10.6
87.04534	2.1
89.02440	18.1
93.88181	1.3
95.01395	10.8
97.02957	9.1
98.99140	1.8
99.00851	1.7
99.04517	32.0
101.02449	23.3
102.16851	1.2
113.02451	23.1
115.03974	6.5
117.05591	9.6
125.02449	2.9
131.02542	2.9
131.03500	44.2
133.02957	1.9
134.46855	1.5
142.34489	1.4
143.03499	18.3
157.38232	1.5
161.02492	1.7
161.03259	2.6
161.04543	43.0
161.05894	2.6
166.35170	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	Lichenin
Peak:m/z	Relative Intensity
53.51271	1.1
55.01878	4.1
57.03445	15.2
58.00594	3.3
59.01378	67.9
67.01894	1.5
67.04997	1.1
69.03456	4.9
69.18529	4.8
69.18952	6.3
71.01380	77.2
72.99321	7.6
73.02944	46.0
73.03360	2.0
75.00875	5.3
81.03458	10.5
83.01383	20.4
84.02148	2.6
85.02946	100.0
87.00880	6.8
87.04517	2.4
88.05608	1.1
89.02444	20.7
95.01401	8.4
97.02955	7.0
98.20436	5.3
99.00872	4.7
99.04501	7.0
101.02443	20.8
103.04042	1.5
106.77645	1.3
111.37078	1.2
113.02454	20.3
115.04009	1.8
117.05582	2.0
123.06337	1.1
125.02434	2.9
129.01932	1.3
131.03503	43.1
131.04492	2.5
133.02965	4.0
143.03516	4.8
161.02573	5.7
161.04561	31.4
161.08157	2.5
180.75334	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0243
Annotation	7-Hydroxychromone
Peak:m/z	Relative Intensity
54.34725	0.4
55.01878	1.4
57.03452	4.1
58.00593	0.8
59.01378	20.2
60.65994	0.4
69.03454	1.2
70.72242	0.6
70.72575	0.5
71.01382	20.3
71.05012	0.4
71.75735	0.4
72.99309	2.6
73.02946	17.5
74.91478	0.3
75.00882	1.3
77.03961	0.8
81.03456	4.0
83.01382	6.5
84.02179	0.5
85.02949	25.2
85.48674	0.4
87.00871	2.6
87.04501	0.4
89.02446	5.7
89.03962	0.9
95.01394	1.7
95.05045	0.6
97.02940	2.4
99.00878	1.1
99.04527	1.1
101.02435	4.5
103.04017	0.5
104.02672	0.8
105.03434	2.6
105.54256	0.4
113.02435	7.4
115.01900	1.3
115.92104	0.4
117.02131	0.4
117.03468	0.9
117.05558	0.4
125.02462	1.0
129.01956	0.5
131.03497	11.1
132.02171	10.0
133.02954	100.0
133.86127	0.4
134.03242	2.8
143.03499	0.9
146.03693	1.9
155.74258	0.3
159.04547	1.0
160.01668	0.5
160.89256	0.4
161.02440	82.7
161.04558	13.1
161.06047	3.4
162.02890	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	158.0822
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
55.06075	0.3
57.03431	0.6
58.02974	6.5
64.96217	0.4
69.70391	0.3
70.42390	1.2
71.01341	0.5
72.69769	0.4
84.04574	0.4
86.06113	2.8
96.04547	0.8
97.02979	0.4
97.06577	0.4
98.19922	0.4
109.53396	0.4
111.61839	0.4
112.04045	3.8
114.05625	1.1
114.09243	6.5
116.07172	100.0
117.07501	1.2
158.04596	1.1
158.08224	17.2
159.03001	1.0
159.08609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1023
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.25689	0.2
54.13790	0.2
56.70347	0.2
57.98138	0.2
58.45105	0.2
59.01382	0.9
61.99043	0.2
68.99820	0.3
69.03471	0.3
69.47268	1.2
71.01406	1.0
81.04823	0.2
81.80457	0.2
82.71166	0.2
84.99325	2.0
85.02975	0.2
87.00874	0.3
89.91483	0.2
91.05551	1.0
93.74565	0.2
95.05043	0.4
98.19933	0.4
98.20584	0.4
99.00882	0.7
109.06596	0.3
111.08134	0.3
112.92236	0.2
113.06065	0.3
113.09749	0.4
114.05672	0.2
115.00380	0.3
115.44505	0.2
127.00375	2.1
127.07645	0.9
128.98285	0.2
129.07083	1.0
139.07649	0.9
141.07118	1.4
155.08676	4.1
157.10220	100.0
158.03561	0.5
158.09236	0.2
158.10553	4.0
171.44409	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0714
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
55.01868	5.1
58.00594	14.9
58.38803	1.9
59.01378	81.0
66.54620	2.0
69.03461	3.2
69.86327	5.3
69.86715	4.9
71.01374	16.6
72.02166	7.5
72.99308	6.1
80.02647	3.9
81.07112	5.0
83.01372	4.0
83.05020	12.9
84.02157	13.7
84.20461	2.5
85.02953	4.6
86.00092	16.8
95.05022	53.5
97.06580	18.8
98.19888	2.5
99.08156	53.9
100.01704	2.6
107.05024	100.0
108.02162	3.6
108.05324	2.7
109.06590	8.9
111.04521	14.5
111.08158	4.4
112.01653	5.1
113.06057	20.3
114.05630	7.5
116.57333	2.3
123.04519	5.2
125.06074	41.1
125.06918	3.5
127.07648	38.2
128.08049	2.6
132.24786	2.1
137.06090	6.5
140.01112	4.0
154.99915	2.7
155.03514	3.0
155.07126	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	155.0715
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
54.68466	2.5
55.01878	5.4
57.03434	4.1
58.00575	6.7
59.01379	76.1
63.85982	2.4
67.01885	4.9
69.03460	3.1
69.07191	2.4
69.17800	23.4
69.96545	2.3
71.01376	16.9
71.05018	5.3
72.02164	8.6
72.99306	4.6
73.76144	2.7
81.03486	2.8
81.07053	2.8
81.39639	2.2
83.01365	16.3
83.05007	11.6
84.00914	4.4
84.02177	7.6
85.02943	6.6
86.00103	18.4
92.66277	2.2
93.03441	3.7
95.05026	55.9
97.06583	17.4
99.08158	47.5
107.05032	100.0
108.02185	2.9
109.06582	8.6
111.00887	4.9
111.04508	6.7
111.08163	12.7
111.53468	2.1
112.01665	2.8
112.07691	2.3
113.02538	2.8
113.06101	22.8
114.05627	5.4
123.04508	6.0
125.06084	40.2
127.00407	5.5
127.07635	28.0
137.06055	7.6
140.01155	8.8
154.99855	7.9
155.03508	6.6
155.07140	28.0
155.10764	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	152.0353
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
66.03484	2.9
69.55965	1.3
78.39801	0.2
86.02061	0.2
98.19923	0.4
108.02174	4.6
109.02979	1.1
110.00128	0.3
121.02946	0.8
122.03738	36.5
123.04002	0.5
125.02425	0.2
131.21724	0.2
134.03734	0.3
135.04521	0.3
137.02008	0.3
137.99603	0.4
140.38789	0.2
152.03529	100.0
153.01924	0.7
153.03888	2.6
153.05527	0.3
156.29478	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0147
Annotation	4-Nitrocatechol
Peak:m/z	Relative Intensity
53.56839	0.3
63.57176	0.3
65.99851	1.6
66.03473	0.6
69.39720	2.1
77.71299	0.2
83.01383	0.5
87.29551	0.2
98.19931	0.6
98.20588	0.5
107.01439	0.5
108.02177	0.8
109.02503	2.8
110.02519	0.3
110.03263	0.5
111.00871	0.5
111.04539	0.3
123.00890	8.8
123.56944	0.2
124.01669	23.9
124.04846	0.5
125.02025	0.6
128.27205	0.2
140.01190	0.3
141.96895	0.2
154.01468	100.0
154.88953	0.3
154.99884	0.3
155.01840	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	149.0455
Annotation	beta-L-lyxopyranose
Peak:m/z	Relative Intensity
55.01864	2.0
59.01381	17.4
69.03454	4.4
70.89556	3.1
71.01378	30.2
72.99308	5.6
73.02948	33.4
75.00870	24.4
85.02934	3.4
87.00874	11.5
89.02444	100.0
93.10522	1.6
101.02434	2.9
103.04014	9.8
118.50034	1.6
121.02929	1.9
131.03485	15.1
148.94997	1.9
149.02582	3.4
149.04553	71.4
149.08041	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	152.0354
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
51.19110	0.2
52.78683	0.2
54.37726	0.3
56.11886	0.3
57.33406	0.3
61.19701	0.2
63.36092	0.2
65.00339	0.2
66.03487	13.4
66.91407	0.2
78.07124	0.2
80.96522	0.5
81.03465	0.6
85.02926	0.3
98.64944	0.2
100.09396	0.2
101.68539	0.2
107.05038	0.5
108.02175	21.4
108.04554	0.8
109.02950	5.0
109.06571	0.3
110.00101	0.8
121.02951	0.9
122.03741	36.6
123.00855	0.3
123.04599	3.5
124.04029	0.4
124.04842	0.3
125.02416	0.6
125.04380	0.3
134.03728	1.1
135.04509	1.1
137.01971	1.7
137.99579	1.0
152.03531	100.0
153.01970	3.0
153.03880	2.7
153.05553	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	DL-Xylose
Peak:m/z	Relative Intensity
50.20962	0.9
55.01862	2.8
56.96907	0.7
56.98860	0.9
57.03456	1.2
58.67462	0.8
59.01379	14.5
65.05181	0.8
69.03451	3.0
69.78671	3.5
71.01014	1.6
71.01384	28.5
71.01778	1.5
72.99289	3.8
73.02946	28.9
75.00874	13.5
80.36311	0.7
85.02953	3.6
87.00879	13.6
88.54905	0.8
89.02444	100.0
90.02781	1.8
93.05653	0.7
98.20573	1.0
101.02444	3.3
103.04007	7.0
131.03491	17.0
149.04553	59.2
164.15227	0.8
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	Unknow
Peak:m/z	Relative Intensity
57.03196	2.4
57.03447	23.6
57.19788	1.5
63.88443	1.3
65.09364	1.4
69.21937	5.1
69.22359	8.4
71.01375	4.3
77.47243	1.3
83.44391	1.3
85.02462	2.2
85.02950	38.8
97.52200	1.4
97.71777	1.3
101.02437	27.5
101.39520	1.4
103.04016	24.9
122.69130	1.9
129.01939	100.0
130.02228	2.2
134.61177	1.3
147.02985	16.4
157.06235	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.2
69.23304	7.5
69.23713	2.3
71.01362	1.3
77.03963	1.0
85.39822	0.9
89.02454	2.9
89.45970	1.2
91.05544	1.5
93.03435	2.1
94.78371	1.0
98.20624	2.0
105.03471	2.6
119.04986	3.6
121.02164	1.9
121.02966	21.6
122.03778	1.0
125.98286	1.0
134.62335	1.0
147.04523	22.5
148.05302	100.0
149.02437	4.2
149.04527	1.5
149.05788	4.1
166.03102	1.3
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
51.00027	3.0
57.03444	34.5
59.01378	43.8
69.27890	3.0
71.01384	55.0
71.05020	26.1
71.27299	6.0
72.99297	14.6
73.02943	7.5
73.06568	4.7
75.00852	7.2
82.07066	3.0
83.05033	15.8
83.47357	2.8
85.02948	100.0
87.00874	99.8
89.02455	4.6
90.53902	2.9
99.00880	6.7
101.02425	28.9
101.06088	35.2
102.10011	2.8
103.04002	14.2
129.01941	35.0
147.03023	26.9
147.06631	94.6
168.32658	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	147.03
Annotation	(S)-2-Hydroxyglutarate
Peak:m/z	Relative Intensity
54.88126	1.7
54.90035	1.5
57.03447	22.3
60.46660	1.7
69.66088	9.9
69.66393	2.9
71.59692	1.6
82.33091	1.8
85.02956	42.4
93.62881	1.6
101.02439	24.7
103.04015	25.8
129.01945	100.0
130.02213	1.8
147.03020	13.8
157.47643	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	147.03
Annotation	(S)-2-Hydroxyglutarate
Peak:m/z	Relative Intensity
51.95544	1.6
52.57030	1.6
57.03447	24.5
59.01376	2.1
60.61987	1.6
68.52160	1.3
69.77290	8.2
70.23708	1.8
71.01376	3.9
74.27193	1.3
85.02950	40.3
88.72358	1.4
98.20631	3.1
99.00850	2.1
101.02438	31.0
102.02740	1.9
103.04004	32.6
129.01941	100.0
130.02267	4.1
143.44333	1.6
147.02985	13.3
147.04251	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	144.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39732	0.9
56.31070	0.9
58.02963	1.2
59.01371	1.3
71.01385	7.2
83.01387	1.8
87.00880	2.3
98.06134	2.7
98.20437	5.6
115.00369	3.2
115.83163	0.9
126.05623	6.4
142.05098	5.3
144.06664	100.0
145.01480	1.7
145.07002	4.3
156.82602	0.9
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	7-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
58.41747	1.0
59.01380	100.0
83.05011	2.1
89.40729	1.1
89.44785	1.1
98.19846	2.0
99.08219	1.6
101.02408	1.4
145.02902	1.6
145.05045	1.1
145.06982	3.2
145.08698	18.6
146.02489	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	147.03
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
55.01876	6.7
57.03448	5.4
59.01379	37.9
59.02701	2.2
61.98818	8.4
64.39445	2.4
68.99824	3.9
69.09093	2.1
70.36658	2.4
70.37004	7.6
71.01380	100.0
72.99300	8.0
75.00874	14.9
83.01359	3.8
84.99332	2.5
85.02954	8.2
87.00850	3.9
89.02444	5.9
92.01186	2.4
99.00878	36.7
101.02448	7.6
101.06040	2.4
111.00942	2.5
119.05006	3.6
129.01939	8.7
147.01955	6.9
147.02968	8.1
147.04495	21.2
147.06575	2.2
148.04037	4.8
163.60278	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	144.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32134	0.7
56.65234	0.8
58.94013	0.7
64.03957	0.8
69.34241	2.1
69.34647	4.0
71.01392	4.9
82.02983	1.3
98.06133	1.6
98.19934	1.7
126.05610	5.2
142.05130	6.3
144.06667	100.0
145.07042	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	16.8
57.30405	2.0
59.01369	9.2
68.99812	4.0
69.03458	3.2
69.56120	4.2
69.56532	11.0
71.01378	52.2
80.99829	6.4
85.02946	7.6
87.00867	11.1
96.99293	19.0
97.02940	2.5
98.06094	2.3
99.00893	3.1
112.98824	23.5
115.00357	5.7
124.98795	61.3
126.05630	3.1
140.98305	8.0
142.05081	5.0
142.99857	100.0
143.03555	3.4
143.10381	2.3
144.06662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	15.5
53.73970	1.9
55.01863	3.3
59.01366	10.6
61.74342	2.0
68.99802	3.3
69.83800	10.6
71.01380	48.9
72.99300	2.4
78.07592	1.9
80.99825	4.1
81.03482	1.9
85.02954	6.0
87.00878	9.1
92.18531	2.3
96.99303	14.8
112.98816	20.2
113.02377	2.5
115.00391	5.4
124.98807	52.9
125.02464	2.2
126.05630	5.7
140.98296	10.1
142.05133	6.1
142.99860	100.0
143.03470	3.2
144.00249	3.9
144.06671	72.6
153.89122	2.4
161.74168	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	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	17.8
56.07249	3.1
56.73772	2.6
57.03435	2.9
58.84198	2.7
59.01368	8.5
68.84051	3.0
68.99820	5.6
69.03468	4.2
69.39914	20.6
70.56168	2.7
71.01384	61.2
72.99280	4.8
73.99085	2.7
80.99808	5.8
85.02950	18.9
85.60619	2.8
87.00893	12.3
87.04535	3.6
95.85059	2.5
96.99323	16.4
97.02958	5.5
97.46530	3.2
98.20576	8.2
99.04553	3.1
112.98812	26.7
113.02496	3.9
115.00372	4.9
118.27907	2.9
124.97961	3.6
124.98817	37.6
125.02457	6.5
126.05627	7.4
136.76361	3.0
140.98305	12.6
142.05121	8.1
142.99875	99.3
143.03525	13.5
143.07094	3.6
143.10828	9.7
144.04745	5.5
144.06667	100.0
160.91794	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	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
60.12574	0.3
60.52790	0.4
69.72458	0.4
69.79035	2.3
71.76870	0.4
94.03793	0.9
98.19952	0.5
108.02175	49.5
109.02492	1.5
138.01971	100.0
139.02322	3.4
149.99782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
71.53133	0.4
75.69416	0.2
81.33851	0.2
94.03796	0.6
95.01368	0.3
108.02174	50.8
109.02497	1.8
111.00867	0.8
112.27454	0.2
123.03259	0.3
128.19081	0.2
138.01970	100.0
139.00354	0.6
139.02315	3.9
150.51982	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0561
Annotation	Antibiotic P 3355
Peak:m/z	Relative Intensity
61.51003	1.0
67.60722	1.1
69.80811	1.5
69.81232	4.1
72.34673	1.0
79.95747	1.7
83.01384	1.9
83.05001	1.3
92.05062	14.6
94.02988	5.2
94.03789	3.3
96.96006	3.3
108.02176	2.8
108.04556	53.7
109.04822	1.7
110.06107	1.7
111.00871	4.3
120.04556	15.6
122.02472	5.1
123.00872	1.2
123.03259	8.8
124.01650	1.2
127.74062	1.1
127.79624	1.0
138.01950	7.4
138.02821	2.9
138.05606	100.0
139.00410	3.9
139.04037	2.7
139.05965	2.8
143.76204	1.2
158.27486	1.3
159.35538	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48882	0.4
52.58024	0.4
53.34777	0.4
56.82589	0.4
64.73746	0.5
70.54317	0.7
70.54636	0.7
80.66585	0.4
93.03496	0.5
94.03804	2.6
99.98392	0.4
108.02172	52.0
109.02489	1.3
111.00869	1.2
115.04572	0.3
138.01968	100.0
139.02313	3.6
147.64577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
56.28602	0.6
57.03340	0.7
58.00578	0.6
58.54207	0.7
59.01375	12.3
69.68118	0.6
70.64018	1.2
70.64359	0.8
71.01382	4.1
72.99308	15.7
75.00873	100.0
76.01231	1.4
87.00880	1.0
89.02451	9.3
117.01955	2.8
120.52159	0.7
135.03003	30.9
135.04549	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	134.0474
Annotation	Adenine
Peak:m/z	Relative Intensity
51.24970	0.3
52.39592	0.3
60.96523	0.3
65.01444	0.7
68.02540	0.4
69.83435	0.8
69.83829	0.6
71.01370	0.5
72.01714	0.7
75.00870	2.1
80.02528	0.4
92.02546	5.8
107.03637	24.7
108.03993	0.7
116.00715	1.2
133.36722	0.3
134.04729	100.0
135.02995	0.4
135.04391	1.6
135.05096	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	135.0302
Annotation	Threonate
Peak:m/z	Relative Intensity
55.01888	0.6
56.28602	0.6
57.03340	0.7
58.00578	0.6
58.54207	0.7
59.01375	12.3
69.68118	0.6
70.64018	1.2
70.64359	0.8
71.01382	4.1
72.99308	15.7
75.00873	100.0
76.01231	1.4
87.00880	1.0
89.02451	9.3
117.01955	2.8
120.52159	0.7
135.03003	30.9
135.04549	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	133.0144
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01369	1.2
59.31149	0.9
60.05636	0.7
69.47729	5.3
69.48147	1.2
71.01382	57.6
72.01698	0.9
72.99316	13.7
87.00878	1.7
89.02452	8.3
102.32260	1.0
107.03644	1.6
115.00374	100.0
116.00711	2.9
128.94997	0.9
133.01439	29.0
133.05045	0.9
134.04715	4.6
148.01190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0296
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
58.63743	1.5
59.01376	2.5
65.00313	2.2
69.53083	8.6
71.01382	42.2
71.78098	1.8
71.99048	1.6
72.99329	8.5
77.03957	15.5
87.00885	4.1
89.02453	5.5
89.03989	4.2
93.03490	3.4
95.05018	19.4
97.96652	1.9
98.19897	3.4
104.55679	1.7
105.03458	55.6
113.44678	1.7
115.00362	66.0
123.04515	4.9
132.02141	12.4
132.86856	3.7
133.01466	17.8
133.02959	100.0
133.05084	7.5
134.03297	4.2
134.04744	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23669	0.8
57.73640	0.8
59.01365	1.3
69.03444	0.8
69.14760	0.8
69.80569	4.2
69.87964	0.9
71.01379	68.4
72.99310	16.9
87.00876	1.6
87.46329	0.9
89.02443	7.3
89.99729	0.8
115.00368	100.0
116.00706	2.6
133.01428	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	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
50.71788	0.6
55.23666	0.6
56.21579	0.6
71.00240	1.3
71.01380	60.1
72.99306	14.7
77.75198	0.6
83.42000	0.6
87.00879	2.3
89.02445	8.4
115.00370	100.0
116.00737	2.6
133.01427	31.1
133.02448	1.5
134.01759	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0874
Annotation	L-Leucine
Peak:m/z	Relative Intensity
53.23650	0.6
57.03448	0.7
65.12581	0.6
69.03494	0.6
69.50903	0.6
69.80604	3.1
71.01375	1.2
73.02950	2.3
85.02946	1.5
87.04524	5.7
88.04025	1.5
113.02457	0.9
120.70849	0.7
130.08739	100.0
131.03453	1.4
131.09114	3.7
147.80061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0558
Annotation	5-Oxohexanoic acid
Peak:m/z	Relative Intensity
52.26088	12.5
55.01867	20.6
57.03442	56.9
57.77436	11.2
59.01380	19.9
63.64589	11.0
67.01891	29.0
68.99805	18.7
70.87040	29.2
71.01390	24.9
73.02962	13.8
74.42046	11.5
79.60034	10.8
83.05032	27.1
85.02946	73.6
85.06595	18.3
88.35616	12.2
101.02452	27.9
109.22649	13.3
111.04527	14.4
112.90674	10.8
128.90152	56.9
129.01921	54.4
129.05594	100.0
130.08687	52.5
140.84369	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	129.0195
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01880	3.3
57.03448	12.5
59.01373	1.7
60.25859	1.0
60.26173	1.0
65.17242	1.2
67.01888	24.4
68.99814	5.5
69.83279	2.1
69.83682	4.3
71.01381	3.4
72.99315	2.0
73.02950	2.9
83.01386	2.5
85.02966	5.3
87.00846	1.4
97.70751	1.1
98.20621	1.4
101.02463	1.4
103.78733	1.3
111.00894	1.3
129.01917	7.8
129.03891	2.7
130.05048	2.2
130.08736	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0503
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
54.77673	0.3
59.01373	0.5
59.61142	0.3
68.38438	0.3
71.01382	1.1
71.30735	0.6
87.01533	0.3
91.05528	0.8
93.03471	2.8
98.20490	0.5
104.14176	0.3
104.96896	0.3
117.03493	0.4
118.92693	1.2
119.05029	100.0
120.05360	4.7
121.67193	0.3
130.32889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
71.27203	3.4
93.03434	4.5
94.02988	2.0
121.02959	100.0
122.02503	4.0
122.03324	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	119.0502
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
59.01368	2.2
69.23760	6.7
71.01388	3.0
72.99310	1.1
73.02923	1.1
92.59116	0.7
93.03459	3.0
98.20510	2.6
98.42790	0.8
101.92431	1.3
108.01984	0.7
118.92702	2.0
119.05028	100.0
120.05360	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	119.0351
Annotation	D-Erythrose
Peak:m/z	Relative Intensity
50.88499	6.4
53.24704	6.0
55.01863	8.9
59.01378	84.2
67.07124	5.9
69.08550	5.7
69.19310	6.5
69.27073	52.3
69.27356	6.5
71.01370	100.0
72.99304	15.5
73.02946	37.0
76.56534	6.0
87.00855	8.7
101.02416	15.5
106.11740	5.7
111.93055	7.0
114.18178	7.0
119.03509	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88499	6.4
53.24704	6.0
55.01863	8.9
59.01378	84.2
67.07124	5.9
69.08550	5.7
69.19310	6.5
69.27073	52.3
69.27356	6.5
71.01370	100.0
72.99304	15.5
73.02946	37.0
76.56534	6.0
87.00855	8.7
101.02416	15.5
106.11740	5.7
111.93055	7.0
114.18178	7.0
119.03509	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1171.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01383	0.4
83.05029	0.1
85.02951	0.1
87.04523	0.2
91.01901	0.1
93.03455	0.4
95.01407	0.1
95.69154	0.1
97.06597	0.1
100.00293	0.1
107.01385	1.6
107.05034	0.1
108.02168	0.7
109.02948	0.8
109.06568	0.1
111.00870	0.1
119.01400	0.2
120.05807	0.1
121.02949	1.2
123.00926	0.1
124.01662	0.2
125.02446	0.2
135.00862	0.6
135.08186	0.3
137.02469	0.1
137.06033	0.2
143.05040	0.1
145.02957	0.1
147.00888	0.1
147.04543	0.1
148.01646	1.0
149.02402	0.2
151.00362	6.8
152.00818	0.1
153.01941	0.1
159.04463	0.2
161.02477	0.1
161.06152	0.1
163.00378	1.7
163.04059	0.1
164.01178	0.4
165.01900	0.1
167.04955	0.1
169.01418	0.2
170.03836	0.1
171.04552	0.1
173.06088	0.1
174.03220	0.1
175.04004	0.2
178.99854	3.4
182.03781	0.1
183.04529	0.5
185.02446	0.1
185.06154	0.1
187.03929	0.4
189.01924	0.1
189.05507	0.1
190.02632	0.1
190.99879	0.3
192.00626	0.2
193.01411	0.2
198.03201	0.2
199.03947	0.6
200.04842	0.1
201.01964	0.2
201.05482	0.3
202.02681	0.1
203.03542	0.2
209.00819	0.1
211.03998	0.9
213.01875	0.2
214.02675	0.1
215.03500	0.5
216.04285	0.4
226.02693	1.0
227.03479	2.2
228.04176	0.2
229.01384	0.1
229.05016	0.5
239.03516	0.2
240.04132	0.1
242.02159	0.1
243.02968	7.0
244.03494	0.5
245.04510	0.9
254.02194	1.6
255.02969	20.0
256.03372	1.0
257.04535	0.1
265.19580	0.1
266.02145	0.1
271.02457	41.5
272.02954	2.6
273.03973	0.8
281.19073	0.1
283.02444	1.0
284.03094	0.1
285.03952	0.1
293.19061	0.1
295.20737	0.1
299.02023	1.0
299.05356	0.1
300.02728	72.4
301.03445	26.6
302.03870	1.1
307.20602	0.1
309.22202	0.2
313.03476	0.1
323.20337	0.1
325.21686	0.1
335.20099	0.1
339.23404	0.1
341.21252	0.1
343.04587	0.2
343.22797	0.2
351.23389	0.1
353.08997	0.1
353.21188	0.8
354.22208	0.1
359.64697	0.1
367.23022	0.1
369.24359	0.1
371.22305	0.2
373.23883	0.1
383.22302	0.2
385.23560	0.1
395.22070	0.4
397.20251	0.4
401.23608	0.1
413.23361	1.3
414.23624	0.1
428.22018	0.1
439.21481	0.2
445.08072	0.1
455.24551	0.3
457.22275	0.9
463.08817	1.7
464.08795	0.1
471.23514	0.1
473.25394	0.1
499.23611	0.3
501.21072	0.1
505.09833	100.0
506.10162	7.4
517.24487	0.8
518.24481	0.1
543.22803	0.1
549.08868	0.1
559.25201	0.1
561.23370	5.0
562.23682	0.4
593.14905	0.1
621.25513	0.6
622.26343	0.1
743.56714	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	115.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48262	3.3
59.01390	6.4
69.59299	3.6
70.25616	8.0
70.25982	6.8
71.01382	100.0
72.86057	3.3
80.13884	3.4
98.20567	4.6
114.93393	9.2
115.00362	14.4
115.05956	7.1
116.07166	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	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
50.64836	0.4
55.01859	0.5
70.70815	1.1
71.01405	0.7
73.02946	100.0
74.03285	2.8
99.00879	9.4
116.92892	0.6
117.01951	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	117.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
57.69982	0.4
59.01379	2.1
71.12160	0.7
73.02945	100.0
74.03268	2.0
79.63596	0.4
84.34742	0.4
84.77367	0.4
99.00884	8.3
99.92583	1.9
100.01228	0.5
116.92857	5.3
117.01941	17.8
117.92914	0.5
119.47690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
60.74601	3.2
63.15085	3.5
71.01381	100.0
71.05027	3.4
71.08982	6.2
72.01729	3.7
78.51295	2.6
81.14352	3.7
109.24123	3.3
109.24969	3.5
115.00377	11.8
115.05952	7.9
116.07154	4.7
128.86604	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	114.0561
Annotation	D-Proline
Peak:m/z	Relative Intensity
53.85125	0.7
59.01371	1.0
63.19347	0.7
66.03468	2.1
71.01382	14.1
71.51904	1.0
86.02489	1.0
92.05694	0.7
98.13389	0.6
112.04008	0.8
114.05608	100.0
115.00344	1.1
115.05953	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	1143.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01370	0.5
90.84851	0.1
91.01891	0.3
93.03429	0.1
107.01389	2.1
108.02167	1.0
109.02956	1.0
119.01370	0.2
121.02952	1.1
135.00848	0.5
148.01660	1.0
149.02417	0.3
151.00366	7.2
152.01007	0.1
157.06596	0.2
159.04535	0.2
161.02412	0.2
163.00363	2.0
164.01138	0.5
167.04951	0.1
169.01447	0.3
173.02335	0.1
173.06154	0.1
174.03300	0.1
178.99860	3.8
183.04456	0.3
185.06073	0.1
187.03993	0.3
190.99951	0.2
192.00594	0.3
198.03111	0.2
199.03940	0.6
201.05536	0.4
203.03555	0.2
211.04010	1.0
212.04762	0.1
215.03493	0.5
216.04268	0.3
226.02687	1.1
227.03477	2.5
228.04156	0.2
229.01320	0.1
229.05029	0.8
230.15814	0.1
231.03177	0.1
239.03410	0.2
243.02966	8.3
244.03500	0.4
245.04463	1.1
254.02208	2.0
255.02972	21.5
256.03381	1.1
257.04501	0.2
271.02460	45.2
272.02945	2.6
273.03922	0.7
283.02396	1.0
284.03183	0.6
285.03897	0.2
297.04465	0.1
299.01974	1.0
300.02728	80.3
301.03464	27.7
302.03867	1.1
343.04648	0.2
463.08734	1.8
505.09851	100.0
506.10175	6.2
549.08569	0.2
593.14917	0.7
697.47107	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
57.03437	4.0
58.12731	0.6
68.99572	100.0
69.03467	0.8
69.77954	3.4
69.99924	1.1
79.87461	0.5
84.02166	2.1
85.02950	13.3
91.67620	0.5
112.98548	3.7
113.02444	3.3
114.05607	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	113.061
Annotation	2,3-HEXANEDIONE
Peak:m/z	Relative Intensity
55.01870	3.6
57.03446	17.3
60.74825	0.9
66.03472	1.3
67.01890	1.1
68.99570	100.0
69.03455	5.0
69.36589	4.5
69.36999	2.1
71.01379	3.3
83.01389	2.6
84.02162	7.7
85.02947	47.5
86.03278	1.6
88.84975	0.7
95.01389	1.9
97.40218	0.7
98.19989	1.8
112.98554	4.1
113.02451	16.4
113.05274	0.9
113.06084	31.8
114.05606	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0245
Annotation	19322-27-1
Peak:m/z	Relative Intensity
55.01863	7.5
57.03448	35.4
68.99564	59.9
69.03453	10.4
70.15601	1.7
71.01379	7.5
71.52140	2.7
72.99302	2.1
83.01390	5.9
84.02151	13.1
85.02946	100.0
86.02468	4.0
86.03299	2.8
89.55064	1.6
91.54113	1.9
92.31790	1.4
95.01392	3.5
109.58795	1.5
113.02449	35.1
114.04858	2.5
114.05610	44.4
115.78413	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02669	0.8
81.03442	2.4
83.01376	3.4
83.05028	1.7
85.02938	2.4
87.00866	1.2
93.03452	1.4
95.05021	3.0
97.02949	3.3
97.06583	3.1
99.00871	9.2
101.02470	0.6
103.05546	0.9
106.04279	0.7
107.05020	1.8
107.17216	0.4
108.02176	0.7
109.02949	1.7
109.06561	0.9
111.04509	2.8
113.02444	1.0
119.05016	1.5
121.02955	3.7
121.06579	2.4
122.03744	0.5
123.04518	4.8
123.08141	1.8
125.02435	1.2
125.06099	0.7
125.09715	6.2
127.04046	0.7
131.04958	0.5
135.04515	1.7
135.08154	1.1
136.05328	0.4
137.02461	1.0
137.06078	1.5
137.09731	3.3
139.04030	0.6
141.12881	0.8
142.02718	0.6
145.06566	0.6
147.04517	100.0
148.04831	2.4
149.06081	4.2
150.03185	0.4
151.04036	1.7
157.06657	0.4
159.04483	0.8
159.08110	0.5
161.06073	1.6
161.09738	0.8
163.07631	0.8
163.11272	5.0
165.05513	1.3
165.09308	0.6
165.12880	1.3
167.03447	0.6
167.07071	0.6
167.10744	0.8
171.10193	0.7
175.07687	1.0
176.04773	0.8
177.05603	1.1
177.12862	0.6
179.07137	0.5
179.10814	0.5
181.12343	1.4
185.06099	0.5
185.11826	4.6
189.12849	0.4
191.10760	1.7
191.14409	6.2
193.05064	5.3
194.05853	1.8
195.06624	0.8
199.07658	0.8
203.07164	0.8
207.10257	3.2
209.11815	28.8
210.12230	0.7
211.06041	4.2
211.13383	0.6
217.15993	0.6
225.11319	3.4
231.10150	0.6
233.09665	1.2
245.19078	11.4
263.20050	1.0
271.17123	1.7
279.10367	0.7
285.22699	0.6
289.18079	38.5
290.18436	1.6
297.11362	0.5
307.19135	34.4
308.19492	1.8
350.10532	0.4
357.36636	0.4
390.98358	0.4
411.14606	1.1
411.40829	0.5
425.15598	0.4
437.16080	1.9
455.17209	1.2
473.18076	2.7
491.19254	1.6
501.17871	0.6
503.21274	0.5
559.19507	3.8
567.20477	0.7
577.20746	1.3
585.21216	4.7
589.53876	0.5
603.22327	4.9
621.23468	1.3
649.23059	0.8
689.24591	1.4
707.24976	2.0
715.25275	2.3
733.26605	6.9
734.27020	1.2
751.27606	3.1
779.26984	18.3
780.27069	2.2
973.24274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0453
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
52.07121	1.3
55.01664	1.2
55.01878	12.1
64.17109	1.3
64.60071	1.4
67.01894	6.9
70.00951	3.3
70.01349	2.5
71.01352	1.7
75.36852	1.4
78.95905	48.0
83.01389	13.0
83.05028	100.0
84.05347	2.9
99.04515	2.3
101.39228	1.3
110.98506	1.6
111.00883	15.2
111.04510	22.2
121.62511	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
77.74657	0.2
78.95901	9.9
83.05025	0.3
88.75567	0.3
110.98534	5.7
110.99252	0.4
127.07626	0.4
138.39957	0.2
141.09097	0.2
152.99574	0.8
167.01137	2.5
185.02190	4.3
209.11711	0.3
227.34338	0.3
233.22673	0.4
242.87923	0.3
259.20697	0.7
275.20071	0.5
277.21704	100.0
278.22034	3.5
434.12027	0.3
445.23590	32.0
446.23770	1.1
481.15402	0.6
540.16370	0.3
555.18628	0.3
572.15460	0.4
641.22528	1.0
809.24622	1.0
919.44977	3.0
920.45776	0.5
1055.44031	0.5
1087.46802	33.6
1088.47278	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	1101.7141
Annotation	Unknow
Peak:m/z	Relative Intensity
82.49092	0.3
83.01384	2.3
85.02952	9.3
85.06610	0.3
87.00919	0.8
89.02453	2.6
95.01385	2.1
97.03002	0.8
99.00884	1.9
101.02444	7.7
112.01718	0.4
113.02452	12.8
117.99523	0.2
119.03549	0.8
121.02998	1.0
125.02485	1.1
131.03488	0.3
143.03528	1.4
143.10831	0.7
159.03069	0.7
160.14288	0.3
161.04570	4.0
188.83136	0.3
197.15466	1.4
223.20708	1.0
235.08069	0.3
244.72359	0.3
281.24905	0.3
283.22729	0.5
299.25937	2.7
299.58850	0.3
327.29037	0.6
336.18600	0.3
342.14670	1.1
345.30069	9.0
346.30356	0.4
357.17108	2.3
441.32062	0.3
489.34323	100.0
490.34698	6.2
507.35376	30.3
508.35587	1.9
549.36420	72.8
550.36725	4.4
613.10962	0.3
671.26208	0.4
1058.83643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01391	4.9
84.02165	1.7
85.02951	100.0
86.03285	0.6
87.00886	1.6
89.00327	1.0
95.01368	0.4
98.20060	0.4
99.00889	0.5
101.02446	0.8
103.03960	0.4
106.00620	0.8
111.00881	14.4
113.02412	0.7
115.00317	0.4
120.99654	0.8
121.02959	38.8
123.00908	1.8
125.02457	0.5
129.01947	60.2
130.02245	0.6
131.05031	0.9
133.02948	0.5
133.06575	2.5
135.04521	1.6
136.99133	2.4
138.03262	1.6
139.00374	1.8
139.04047	0.6
147.02992	6.6
151.00414	0.4
153.05577	8.6
154.99915	0.5
159.04536	0.6
161.06071	3.2
166.99905	1.4
173.00906	24.8
182.02214	3.6
187.04039	0.4
189.02000	0.3
189.05574	5.2
191.01978	3.3
193.05095	0.4
193.83908	0.4
196.03780	0.6
197.04550	21.1
207.02945	0.7
211.06192	0.7
222.05376	1.2
227.03609	1.7
228.03854	0.3
229.05118	0.8
233.04568	1.0
237.07629	1.7
251.05602	8.4
255.03000	4.2
257.04575	0.8
265.07095	5.7
265.09381	0.6
271.02509	1.2
277.03571	0.6
284.03259	4.5
285.04016	5.6
286.04446	0.8
295.04590	23.2
296.05136	0.6
300.02802	2.5
301.03671	0.8
309.06281	1.2
313.05637	6.1
327.07208	13.6
353.05032	0.9
371.06180	16.4
388.20679	0.6
389.16217	0.6
389.21017	0.4
419.15329	0.7
447.22589	1.3
448.22818	0.6
493.09818	18.9
493.23099	1.4
494.10358	0.8
505.09967	2.3
529.19397	0.5
593.15112	9.9
594.15228	2.3
595.15833	1.1
787.72900	0.4
1079.68640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
81.86069	0.2
83.01383	0.5
85.02945	0.5
89.02426	0.2
101.02412	0.2
101.97898	0.2
107.01397	1.5
108.02178	0.5
109.02954	0.7
111.33037	0.2
121.02949	1.2
123.00863	0.2
124.01640	0.2
125.02461	0.3
129.01935	0.2
135.00835	0.3
137.02481	0.2
148.01666	0.6
149.02411	0.4
151.00362	7.9
152.00719	0.4
159.04485	0.2
163.00356	1.3
163.03975	0.2
164.01152	0.4
165.01961	0.2
169.01450	0.3
178.99850	3.8
187.03940	0.2
195.06590	0.2
198.03098	0.2
199.03928	0.3
201.05644	0.2
201.35745	0.2
203.03500	0.2
211.03978	0.8
215.03598	0.4
216.04214	0.3
223.06224	0.2
226.02675	0.8
227.03467	1.6
229.05022	0.5
239.03464	0.3
243.02966	5.0
244.03429	0.7
245.04507	0.6
254.02190	1.3
255.02965	16.6
256.03363	1.5
257.03378	0.4
271.02457	33.2
272.02872	4.2
273.03311	0.9
283.02362	0.9
299.02151	0.8
300.02728	69.1
301.03412	31.8
302.03595	3.9
303.04092	0.9
343.04590	0.6
421.18707	0.2
445.35605	0.2
609.14551	100.0
610.14899	13.7
611.15131	7.7
612.15540	0.3
697.60327	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0504
Annotation	o-Cresol
Peak:m/z	Relative Intensity
58.96938	0.5
60.59316	0.5
71.54101	0.8
84.17205	0.6
90.66817	0.6
106.04225	1.8
107.05029	100.0
108.02171	9.6
108.04571	1.6
108.05362	5.2
123.04510	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	1083.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01393	0.5
85.02930	0.4
91.01893	0.2
93.03431	0.2
98.20662	0.4
101.02434	0.2
107.01393	1.7
108.02162	1.0
109.02939	1.1
119.01373	0.2
121.02969	1.1
123.00919	0.2
124.01624	0.2
125.02422	0.3
134.03775	0.2
135.00856	0.6
148.01657	1.2
149.02414	0.3
150.03300	0.2
151.00369	7.2
159.04468	0.3
161.02431	0.2
163.00380	1.4
163.04030	0.2
164.01161	0.4
165.05615	0.2
168.56552	0.2
169.01369	0.3
175.03946	0.2
178.99860	3.4
183.04465	0.5
187.04001	0.3
190.99933	0.2
192.00629	0.2
195.04457	0.2
199.03955	0.7
201.01826	0.2
201.05635	0.2
203.03572	0.3
211.03946	0.9
214.02542	0.2
215.03436	0.6
216.04314	0.4
226.02667	1.0
227.03462	2.6
228.04224	0.3
229.05035	0.5
243.02963	7.6
244.03551	0.4
245.04521	1.0
254.02173	1.7
255.02975	20.8
256.03442	0.8
266.01877	0.2
271.02460	44.0
272.02979	2.4
273.04050	0.8
283.02390	1.1
284.03183	0.4
299.01971	1.4
300.02728	80.9
301.03470	28.7
302.03741	1.1
343.04459	0.2
361.16519	1.0
369.19260	0.2
387.20172	0.5
429.21249	0.9
454.05167	0.2
463.08820	2.2
505.09854	100.0
506.10141	5.4
507.10614	0.4
565.21997	0.2
593.15186	0.3
609.14551	4.4
816.17169	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.362
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01405	0.5
85.02948	2.0
87.00897	0.3
89.02449	0.9
93.03442	0.7
95.01384	0.5
98.60395	0.2
99.00809	0.2
101.02454	1.7
101.06120	0.2
101.20787	0.2
107.01379	1.0
109.02953	0.4
113.02424	1.3
119.03490	0.4
123.55785	0.2
125.02444	0.4
129.01942	0.8
132.02167	0.5
135.00891	0.7
137.09662	0.4
141.07059	0.2
143.05014	0.5
145.02959	0.3
147.58080	0.2
151.00346	1.6
153.01883	0.3
154.04260	0.2
157.06558	0.4
159.04478	0.6
161.04572	0.8
163.00372	1.6
164.01176	0.4
165.01962	0.2
169.06573	0.4
171.04581	0.2
183.04532	0.5
185.06062	1.4
187.03993	1.8
189.05533	0.6
195.04533	0.5
197.06088	0.9
197.15468	0.4
199.04015	0.6
200.04478	0.3
201.05620	0.4
205.12271	0.3
211.03998	1.6
213.05507	0.8
215.03528	0.3
225.14928	1.7
227.03485	16.5
228.03850	1.0
229.05043	7.1
239.03430	0.9
240.04199	0.6
241.05006	0.8
243.02942	0.4
255.02971	32.3
256.03598	3.1
257.04550	3.4
267.03061	0.6
269.57935	0.2
275.07755	0.4
283.02505	0.3
284.03250	42.9
285.04010	56.4
286.04337	3.5
287.04602	0.8
293.09308	0.3
299.05670	0.3
319.51816	0.2
327.05099	0.9
369.19186	4.6
387.20261	4.8
389.16235	0.4
413.11026	1.3
429.21298	12.3
430.21594	0.4
437.11047	0.3
529.19141	0.5
584.84943	0.3
593.15070	100.0
594.15326	9.1
595.15601	2.6
697.57245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
79.38566	0.1
81.71709	0.1
83.01401	0.8
83.01836	0.1
85.02943	1.4
87.00842	0.2
89.02459	0.5
91.01903	0.2
93.03461	0.3
95.01389	0.3
99.00873	0.3
101.02451	1.2
107.01389	1.6
108.02182	0.5
109.02960	0.8
111.00945	0.2
113.02428	1.3
117.03477	0.4
119.03484	0.3
119.05032	0.3
121.02946	1.5
124.01669	0.3
125.02452	0.3
128.01031	0.2
129.01921	0.2
135.00871	0.5
143.03464	0.2
143.10809	0.1
145.02931	1.1
147.04541	0.2
148.01692	0.5
149.02538	0.2
151.00359	7.5
152.00867	0.1
159.04462	0.2
161.02452	0.2
161.04541	0.6
163.00378	1.6
163.03979	0.4
164.01140	0.6
169.01459	0.3
172.89960	0.2
178.99864	3.7
187.03951	0.3
190.99925	0.3
191.01944	0.2
192.00594	0.4
193.01431	0.2
198.03247	0.2
199.03972	0.5
201.05580	0.3
207.49068	0.1
211.04007	0.7
213.01797	0.2
215.03571	0.2
216.04283	0.4
226.02803	0.7
227.03499	1.6
228.04253	0.2
229.05019	0.3
239.03510	0.2
243.02959	5.7
244.03622	0.4
245.04523	0.8
254.02214	1.4
255.02966	15.7
256.03427	0.6
257.04529	0.2
257.21097	0.3
271.02457	32.8
272.03027	2.2
273.04004	0.6
283.02432	0.8
287.09692	0.2
299.02087	0.8
300.02722	64.6
301.03476	30.1
302.03885	1.1
313.03244	0.2
326.74225	0.1
343.04474	0.3
353.19766	0.2
371.20764	0.4
413.21616	1.1
429.17596	0.2
463.08792	16.3
464.09064	0.8
478.36722	0.2
503.32248	2.8
504.32562	3.2
505.33795	0.9
521.33313	0.5
522.33795	0.6
523.33862	0.2
549.26288	0.2
563.34393	1.7
564.34790	2.1
565.34882	0.8
583.94385	0.2
607.23889	0.2
609.12433	100.0
610.12775	7.1
657.12280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.5486
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00897	0.2
81.03424	0.3
81.06946	0.2
83.01395	2.7
83.05029	0.3
85.02947	13.4
85.06602	0.9
86.00098	0.7
86.25983	0.2
87.00893	1.3
87.04510	0.4
89.02444	4.6
95.01388	3.0
95.05014	0.7
97.02964	1.1
97.06608	2.0
98.20287	1.5
99.00886	2.9
99.04506	0.5
101.02444	12.1
111.00887	0.9
112.01658	0.8
113.02446	14.6
119.03497	2.0
119.05000	0.3
121.02944	0.5
123.04609	0.3
124.01689	0.8
125.02454	1.6
129.01953	0.4
131.03496	0.3
136.30722	0.3
143.03552	1.3
143.10776	2.4
147.04535	0.8
149.04480	0.3
159.02994	1.2
161.04564	5.3
161.13429	0.4
179.05618	0.6
179.14377	0.4
191.07394	0.3
193.05130	0.4
195.17482	0.5
197.15445	0.6
205.12332	0.4
211.16983	0.6
212.48149	0.3
223.20638	0.3
237.22089	0.3
243.02953	0.3
249.11362	0.6
255.02950	0.5
257.21286	1.0
270.99652	0.2
271.02451	1.0
271.22806	2.8
297.24326	0.5
299.26004	1.2
300.02725	1.9
301.03464	0.8
311.25928	2.8
313.27481	1.1
323.25900	2.0
339.25195	0.4
341.26791	1.2
351.25500	0.3
359.14951	0.7
359.28030	6.1
371.20697	0.5
382.78833	0.3
413.21619	1.3
415.26871	0.6
429.17535	1.9
430.17963	0.3
433.27991	4.4
463.08737	0.4
477.20767	0.4
485.31308	1.0
503.32254	100.0
504.32541	4.2
521.33270	19.2
522.33655	1.0
563.34344	57.8
564.34735	3.5
606.22876	1.0
607.23364	2.3
609.12555	2.2
635.25024	0.8
886.20978	0.3
1065.42920	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01397	0.2
85.02934	0.2
98.27422	0.1
107.01392	1.4
108.02187	0.7
108.75978	0.1
109.02964	0.6
121.02940	1.3
135.00888	0.4
136.84363	0.2
138.00990	0.1
148.01689	0.6
149.02466	0.1
151.00363	6.1
159.04567	0.2
163.00333	1.2
164.01118	0.4
165.01924	0.2
169.01393	0.2
171.04538	0.2
178.99841	3.2
185.02518	0.2
187.03894	0.2
191.01926	0.2
192.00624	0.2
198.03188	0.1
199.03992	0.2
201.01926	0.1
201.05635	0.2
203.03357	0.2
211.03975	0.6
215.03490	0.4
216.04272	0.3
226.02658	0.8
227.03528	1.4
229.05031	0.3
239.03432	0.2
243.02969	5.3
244.03505	0.4
245.04524	0.6
254.02197	1.4
255.02965	15.3
256.03378	0.5
271.02457	31.2
272.02997	2.1
273.03918	0.5
277.29590	0.1
283.02432	0.6
297.04013	0.2
299.01855	0.9
300.02722	65.6
301.03458	22.6
302.03790	0.9
343.04520	0.6
405.17480	0.2
413.17105	0.2
449.19659	0.3
609.14557	100.0
610.14899	6.8
611.15106	0.7
742.95862	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.246
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	0.7
85.02955	0.6
93.03467	0.5
98.20101	0.8
107.01379	2.4
108.02177	1.2
109.02950	1.2
111.00872	0.3
115.72154	0.2
121.02956	1.6
124.01637	0.4
125.02387	0.2
129.01952	0.3
132.02129	0.3
135.00903	0.8
148.01657	1.2
149.45143	0.2
151.00366	9.2
159.04543	0.7
163.00356	2.2
164.01099	0.6
167.03555	0.2
169.01503	0.3
171.04472	0.3
173.00864	0.2
173.02284	0.2
178.99867	4.4
183.04500	0.5
185.06082	0.5
187.03970	0.7
189.05560	0.3
190.99847	0.4
192.00505	0.3
199.04015	0.9
200.04877	0.2
201.05501	0.3
203.03453	0.3
211.03961	1.2
213.05574	0.4
215.03439	0.5
216.04254	0.4
226.02725	1.5
227.03487	11.0
228.03891	0.5
229.05060	1.7
239.03409	0.5
240.04271	0.3
241.01491	0.3
241.05133	0.2
242.01857	0.5
243.02959	8.1
244.03569	0.4
245.04549	0.8
254.02113	1.9
255.02974	37.3
256.03510	1.8
257.04526	1.0
270.01581	0.3
271.02460	42.3
272.02957	2.3
273.03879	0.5
283.02518	0.9
284.03250	30.2
285.03998	12.0
286.04385	0.3
298.01361	0.3
299.01984	1.8
300.02728	83.9
301.03485	36.6
302.03986	1.1
327.04968	0.5
343.04691	0.3
419.19092	0.3
461.07236	0.7
462.07346	0.5
463.08798	100.0
464.09161	4.3
504.86307	0.3
593.15076	56.7
594.15387	3.5
604.40863	0.2
737.05255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95728	6.0
89.34438	0.1
95.95259	0.2
96.96007	79.2
97.95934	0.1
98.20671	0.1
98.63577	0.1
98.95594	0.1
101.02435	0.1
122.97569	0.2
151.00645	0.1
289.11130	100.0
290.11435	3.0
291.10992	0.1
469.39307	0.1
838.48071	0.1
857.40228	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	105.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12154	0.8
58.93318	0.9
59.01381	18.6
71.52222	1.0
72.99310	65.3
73.99651	1.9
75.00874	22.1
84.92643	0.9
94.11355	0.8
105.01935	100.0
106.02258	2.8
112.20560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0194
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
59.01376	21.4
69.44374	8.5
69.44787	5.1
72.99308	66.2
75.00874	25.5
76.01243	1.9
103.00373	2.0
105.01931	100.0
106.02287	2.2
113.94434	1.9
116.88348	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	986.6051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	6.0
69.07073	26.0
69.07461	1.3
70.72762	2.4
71.05001	4.2
73.02911	2.6
77.03946	1.0
79.05499	63.2
81.03425	10.3
81.07062	79.0
83.04987	8.8
83.08622	14.1
85.02914	11.3
85.06535	3.3
85.44788	0.8
91.03976	5.0
91.05488	49.8
93.07050	69.9
95.04975	9.1
95.08614	54.7
95.09238	1.5
96.04490	0.8
97.02909	7.7
97.06531	12.6
97.10182	9.8
99.04453	1.5
99.08086	2.4
103.05486	1.8
105.04547	3.7
105.07038	41.6
105.21307	0.8
106.07404	1.0
107.04986	6.7
107.08601	48.0
109.02874	2.8
109.06530	6.2
109.10164	25.0
111.04401	0.9
111.08074	5.3
115.05457	3.0
115.35873	0.8
117.07023	19.7
119.08588	28.8
120.20469	0.8
121.06530	3.7
121.10154	27.9
123.08092	4.7
123.11087	0.7
123.11739	7.0
125.09650	9.0
127.03928	5.0
128.06245	1.2
129.05511	1.6
129.07021	6.0
130.07811	1.1
131.08585	25.8
133.10139	25.0
135.08073	3.4
135.11696	16.8
137.09618	2.8
137.13280	2.4
139.11227	1.4
141.07039	1.6
142.07803	1.6
143.08556	8.3
144.09407	1.0
145.04976	2.5
145.06462	1.0
145.10138	17.8
147.08083	1.4
147.11696	14.9
149.09631	8.5
149.13281	11.1
151.11243	2.3
153.12828	1.0
155.08545	2.3
157.10194	6.4
159.08040	1.3
159.11708	16.0
161.09660	1.2
161.13266	8.5
163.06023	1.7
163.11230	4.8
163.12424	0.8
163.14847	1.9
165.12839	1.7
169.10138	2.9
171.11719	4.9
173.04520	3.4
173.11867	1.4
173.13257	9.8
175.11237	2.2
175.14804	2.7
177.12762	2.6
177.16396	1.0
179.14326	1.9
181.10117	1.8
183.11736	3.4
185.13261	4.2
187.11183	1.5
187.14836	5.0
189.11261	3.9
189.12729	1.2
189.16418	1.4
195.11844	1.1
195.13818	3.0
197.13264	3.1
199.14798	1.9
201.16472	1.7
203.14352	1.5
213.16490	1.4
215.17900	0.8
217.15886	1.5
219.17538	1.3
226.90028	0.9
227.12735	10.4
229.14291	6.5
229.19600	1.9
235.17033	1.2
239.17966	3.0
241.19720	0.9
243.21111	3.5
247.20563	1.4
255.15877	4.3
257.19055	8.1
259.20584	3.6
261.22156	12.5
267.15921	3.3
269.17456	20.6
271.20468	1.0
275.20087	29.7
276.20404	0.9
277.21722	2.2
283.19052	1.1
284.07843	0.8
285.22189	1.0
291.19348	1.2
293.21149	3.1
305.21268	1.0
309.20657	4.9
315.23230	1.3
317.24643	2.3
331.22546	3.7
333.24319	4.7
335.25818	100.0
336.26056	2.0
349.23761	36.0
351.25415	3.8
367.24890	3.3
413.21707	2.1
431.31738	1.5
455.34601	1.0
477.37048	1.2
489.35870	6.2
505.35217	1.4
513.39423	1.2
515.37396	10.5
517.40149	1.2
529.38928	56.5
530.39398	1.5
543.40118	3.0
545.38318	1.0
547.39801	1.1
551.40588	1.1
569.33862	1.6
569.42096	15.9
569.50665	0.6
609.45178	56.9
610.45172	1.8
627.46149	19.4
673.43494	1.9
753.49249	2.1
769.14026	1.0
771.49695	3.3
881.08417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5893
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	5.0
69.06789	0.6
69.07073	16.0
69.28569	3.5
69.28975	1.3
70.82269	0.5
71.04986	2.0
73.02897	1.0
79.05499	26.0
81.03443	4.8
81.07061	31.6
83.04990	2.9
83.08623	8.0
85.02911	4.1
85.06544	1.2
91.03951	1.2
91.05486	18.9
93.07048	27.9
95.04975	6.8
95.08611	22.2
97.02905	7.1
97.06541	2.0
97.10178	9.1
99.04460	0.6
105.04500	0.6
105.06491	0.3
105.07036	12.8
107.04959	3.8
107.08604	15.6
109.02889	1.0
109.06519	2.1
109.10160	11.2
111.08094	2.1
117.07020	6.3
119.04942	0.8
119.08591	11.4
121.06525	1.9
121.10156	10.9
123.08077	2.3
123.11731	2.3
125.09643	6.1
127.03908	1.0
128.06235	0.9
129.07011	2.0
130.07825	0.9
131.08577	8.5
133.06529	1.7
133.10144	5.8
134.07204	0.5
135.08105	2.4
135.11713	5.9
137.09639	2.0
137.13194	0.6
143.08588	2.3
145.05006	0.6
145.10143	6.7
146.08076	0.6
147.08052	3.2
147.11713	4.7
149.09653	1.0
149.13277	3.8
151.11244	1.0
153.09102	0.9
157.10146	2.7
159.11723	4.3
161.09647	1.6
161.13283	2.7
163.11212	2.3
163.14838	1.4
165.09180	1.2
171.11670	1.2
173.11858	0.6
173.13297	2.2
175.11186	1.4
177.12744	0.7
183.11807	0.7
185.13223	0.7
187.14915	1.3
189.11252	2.0
193.12288	1.7
195.13863	1.0
199.14935	0.6
205.12271	0.9
209.09412	0.5
211.13332	1.0
213.16573	0.6
223.13283	13.4
227.12784	3.1
231.17256	0.5
243.21185	1.6
245.18980	0.7
249.14755	2.5
255.17540	0.8
261.22159	6.1
267.16052	1.8
273.18491	8.2
285.17166	0.9
291.19562	63.7
292.20111	0.6
309.20630	1.0
317.24838	2.1
335.25815	61.5
336.26205	0.8
344.55203	0.5
347.22061	1.5
349.24118	0.5
365.23248	35.3
366.23624	0.5
459.27686	1.4
477.28427	2.7
505.35306	0.7
513.35736	1.0
527.37335	1.0
545.38348	4.4
607.43469	2.6
612.59149	0.6
625.44672	100.0
626.45166	2.5
643.45807	1.0
769.48254	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5884
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	9.0
69.07072	23.5
69.77691	2.9
71.04974	2.7
73.02898	0.7
79.05496	34.9
81.03419	7.8
81.07059	39.3
83.04977	4.2
83.08616	10.0
84.52551	0.7
85.02905	4.9
85.06549	1.1
91.03950	2.7
91.05485	23.0
93.07047	34.1
94.51663	0.6
95.04963	8.1
95.08611	27.9
97.02890	9.4
97.06526	4.1
97.10176	12.2
101.16168	0.7
103.05456	1.5
105.04527	1.8
105.07028	19.1
107.04951	6.2
107.08595	18.5
109.02869	0.9
109.06504	3.1
109.09453	1.4
109.10159	16.0
110.22041	0.6
111.04408	0.9
111.08073	3.2
115.05448	1.2
116.06219	0.9
117.07020	7.4
119.04935	1.0
119.08586	16.5
121.06500	3.1
121.09313	1.3
121.10143	11.9
123.08060	4.2
123.11685	3.5
125.09623	8.5
127.03908	1.4
128.06207	1.5
129.05475	1.1
129.07002	4.6
131.08569	11.7
133.06483	2.6
133.10132	9.3
135.08064	4.1
135.11671	6.5
137.09605	1.7
139.11176	0.8
141.06982	1.0
142.31311	0.7
143.08559	4.0
145.04945	1.2
145.06454	0.9
145.10118	9.5
147.08051	5.9
147.11673	4.9
149.09613	2.0
149.13214	4.2
151.11188	1.0
153.09149	1.2
155.08546	1.0
157.10133	2.9
159.11684	5.3
161.09631	3.3
161.13278	3.2
163.06001	1.1
163.11198	2.3
163.14819	1.5
165.09090	1.1
165.12700	1.4
171.10146	1.2
171.11661	2.0
173.11818	1.0
173.13240	2.3
175.11217	2.3
175.14821	1.0
177.12773	1.6
181.10068	0.8
185.13358	0.9
187.14761	1.0
189.11250	4.9
193.12241	2.5
195.11594	1.0
195.13870	1.2
199.11261	0.7
199.14914	0.9
205.12236	1.2
211.13286	2.2
223.13301	18.7
227.12762	3.0
227.17865	1.2
243.21164	2.1
245.19041	1.3
249.14922	3.1
261.22144	6.8
263.20020	0.8
267.15918	3.5
273.18500	12.9
283.15250	1.0
283.56674	0.8
285.17014	1.9
291.19550	100.0
292.19974	1.0
317.24829	2.8
335.25800	64.2
336.26285	1.4
337.16501	0.9
347.22122	2.1
365.23245	67.0
446.58984	0.7
459.27417	0.9
477.28488	2.7
513.35950	1.1
518.88837	1.1
527.37366	1.3
545.38196	6.7
607.43555	3.0
625.44647	92.7
626.44769	2.4
643.45038	2.1
846.09680	0.9
867.82068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6207
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	44.7
69.03434	9.6
69.06736	1.5
69.07081	23.3
71.04990	2.6
71.08292	1.5
71.08640	22.6
73.02924	3.2
79.05058	2.3
79.05499	29.9
81.03425	11.3
81.07063	61.2
83.04981	8.9
83.08622	16.6
85.02906	13.5
85.06532	4.1
85.10184	15.5
89.06034	2.3
91.03962	3.2
91.05487	26.7
93.07047	35.6
95.04958	5.6
95.08616	39.9
97.02901	7.7
97.06524	8.9
97.10182	10.1
99.04411	1.8
99.08092	2.8
100.02425	1.3
105.07040	20.5
107.04977	7.2
107.08606	21.6
109.02840	2.7
109.06512	3.9
109.10159	15.2
111.04413	1.7
111.08074	3.6
117.07034	9.4
119.08594	15.4
121.06505	2.4
121.10146	9.6
123.08054	2.7
123.11713	6.5
125.09614	3.7
127.03917	5.6
129.06970	3.4
131.08571	13.8
133.06429	1.4
133.10143	13.3
135.08044	2.3
135.11697	11.7
137.09621	2.5
137.13202	1.7
141.06969	1.6
143.08565	2.4
145.04987	2.8
145.10146	12.0
147.08128	1.6
147.11691	5.1
149.09621	7.3
149.13287	9.5
151.11163	1.5
157.10190	2.0
159.11702	10.7
161.09657	1.9
161.13251	2.9
163.11171	6.2
167.25890	1.3
169.10089	1.6
171.11761	1.6
173.04495	3.6
173.13252	4.2
177.12741	3.7
179.14287	1.7
181.12143	1.6
183.11771	1.5
187.11115	1.4
187.14867	2.0
195.13774	5.5
217.15898	1.4
227.12738	4.9
229.14349	2.5
229.19444	2.6
239.17979	3.3
239.23701	2.9
247.20547	1.5
255.15912	12.2
257.19083	8.3
257.24756	1.9
267.15866	1.7
269.17493	37.8
275.20081	22.6
293.17419	2.0
293.20969	2.5
309.20590	3.6
313.27380	99.3
314.07687	1.3
314.28036	1.8
321.24228	2.0
339.17715	1.3
349.19720	2.3
349.23764	28.4
355.51123	1.4
367.24936	4.0
413.21713	4.0
433.35983	1.3
467.37387	4.7
493.27618	1.8
493.38980	23.4
507.40482	100.0
508.40631	3.6
511.29095	1.8
531.40222	1.9
547.43793	9.2
587.46753	49.8
605.47803	14.2
627.40533	1.4
651.44415	2.7
731.50110	2.4
842.37433	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	1.3
68.99776	1.0
69.03430	8.4
69.43861	1.1
69.44270	6.2
70.06596	1.1
71.04977	1.4
79.05492	3.4
80.05016	1.3
81.03419	7.9
81.07071	1.2
82.06545	0.9
85.02908	11.1
87.00834	3.2
91.05503	2.7
93.05769	1.4
93.07045	3.0
94.06567	8.0
95.07343	3.3
96.08149	7.3
97.02895	4.6
98.21474	1.9
99.04479	2.5
103.05450	2.6
105.01834	1.3
107.07343	2.7
108.08127	19.5
109.02885	6.3
109.08915	1.0
110.06031	1.3
110.09680	11.0
118.06538	1.2
119.08545	1.2
120.08101	14.0
122.06026	23.6
122.09666	5.6
124.07584	2.4
127.03919	4.8
132.08165	2.2
136.07582	38.7
137.08376	0.9
138.05501	1.6
138.09149	18.1
144.15689	0.9
148.07582	12.1
150.09146	10.7
150.58733	0.9
152.07053	1.8
160.07594	1.2
164.07069	1.3
166.08650	32.6
167.07135	1.0
172.04005	1.2
174.09125	1.1
196.09906	1.1
197.10774	1.1
209.10805	3.0
221.10680	1.9
222.11519	1.1
223.08711	1.4
223.12305	2.8
224.09502	1.4
225.10176	5.0
233.10796	3.8
234.11288	1.1
235.08592	6.4
236.09456	5.4
237.10216	22.0
238.10802	1.6
239.08246	1.1
239.11809	4.3
240.12642	1.1
241.09743	1.3
247.08685	2.6
247.12389	1.3
248.09438	3.3
248.68442	0.9
249.10257	32.0
250.10979	8.2
251.08083	2.5
251.11830	15.1
252.08861	1.5
252.12639	2.2
253.09685	6.4
255.11362	1.8
260.09503	2.4
261.10284	16.0
262.10983	1.2
263.08194	4.1
263.11786	5.7
264.08926	12.1
265.09711	20.0
266.10580	2.9
267.11310	9.1
267.15570	1.3
269.09201	2.1
271.10818	2.2
273.10178	3.6
274.07562	1.2
274.10883	2.2
275.08194	3.1
275.11734	6.9
276.09061	1.8
277.09738	30.2
277.12936	1.6
278.10461	10.8
279.07990	2.5
279.11246	19.8
280.12146	3.8
281.09241	5.6
281.12405	1.4
282.09949	2.0
283.10831	3.1
287.11777	1.4
288.08972	1.6
289.09698	14.6
290.10391	2.2
291.07632	3.8
291.11304	6.6
292.08490	4.7
292.12100	3.7
293.09222	32.6
293.12827	12.5
294.09909	3.2
295.10834	6.7
296.11697	1.5
297.08875	1.2
297.12399	3.0
301.09680	8.8
302.10355	2.1
303.07654	3.3
303.11319	8.9
304.08386	2.1
305.09256	13.1
306.09909	4.4
307.10788	17.0
308.11316	1.6
309.08759	5.3
309.12347	10.8
310.12982	1.3
311.10257	5.4
311.13986	4.3
312.11166	2.8
313.11945	2.7
314.12946	2.2
317.09241	2.8
318.63373	0.9
319.10773	7.9
321.08960	1.4
321.12354	4.6
323.10321	12.3
323.13980	2.0
324.11096	3.4
325.11929	8.0
325.15594	1.8
326.12747	2.3
327.13400	9.3
328.10886	1.3
328.14420	2.3
329.09067	6.8
329.15295	1.4
331.10764	17.6
333.08707	19.3
333.12439	1.4
335.10287	2.8
335.14029	1.4
337.11832	9.6
338.12744	2.6
339.09518	2.2
339.13446	30.0
340.14291	2.6
341.11520	1.6
341.15213	1.1
342.12308	2.6
342.16049	2.2
343.12906	2.5
344.13828	1.9
347.10089	8.3
349.12000	2.8
350.08740	1.4
351.09753	31.1
351.13965	2.0
352.10385	1.1
352.14548	1.2
353.11069	4.4
353.15311	4.6
354.12173	2.6
354.16281	1.9
355.12997	6.0
356.13879	6.7
357.08960	4.7
357.14542	3.4
358.15414	1.9
359.16107	2.6
361.11639	1.2
365.11392	8.5
366.12183	11.2
367.12891	3.8
368.13840	2.0
369.10709	2.1
369.14651	3.8
370.11636	4.0
370.15659	3.0
371.12323	7.1
371.16364	1.6
372.13156	2.2
372.17166	2.4
375.09705	13.8
379.12885	3.4
380.13870	2.3
382.11624	3.6
382.15741	1.7
383.12381	19.3
383.16971	1.3
384.13287	6.5
384.17175	1.3
385.13840	10.5
386.14920	2.5
386.19189	1.1
387.15756	1.2
389.11282	2.1
393.10782	2.8
395.12231	1.1
396.13071	1.2
397.13977	15.0
398.14905	8.1
399.15710	7.0
400.16711	5.9
402.14291	1.6
407.12347	15.5
408.13339	1.4
410.15250	1.3
412.12491	1.5
414.13751	1.7
414.18372	2.9
416.15961	3.2
418.17755	4.2
425.13043	1.2
426.14478	5.3
427.14999	2.1
428.16074	7.5
430.13315	1.7
432.19327	1.5
438.18658	1.1
440.15997	1.6
442.18332	6.6
444.15390	4.8
445.16122	1.6
446.16742	6.2
454.13898	16.3
455.14145	1.0
457.16333	0.9
458.16919	2.5
460.18613	4.0
462.20404	1.3
464.16586	1.0
468.15298	1.5
472.14920	22.8
474.15869	4.6
476.18350	2.5
478.19724	2.1
482.16837	1.9
484.18674	1.1
486.16571	6.0
490.19824	4.0
492.17444	18.6
500.17905	1.5
504.17484	11.8
508.20865	1.6
510.16632	2.5
518.19135	9.5
519.20355	1.8
528.17426	1.2
536.20355	10.0
550.21625	5.9
560.20917	2.0
579.21832	1.7
607.21741	3.1
625.22968	12.3
639.24518	12.5
643.23364	1.9
657.25580	74.0
658.25421	2.5
675.26343	5.9
690.22388	1.5
704.24133	1.3
713.28302	1.7
722.25604	8.1
728.29901	2.6
730.27905	1.6
754.28107	9.4
755.28717	4.0
766.24567	10.3
767.25348	12.3
768.26062	1.4
772.29248	16.6
784.25482	2.7
798.27155	100.0
799.27917	63.8
800.27954	2.6
816.28235	87.0
817.28571	2.0
861.31372	1.9
873.27271	2.6
891.28497	1.4
905.31165	8.6
923.31879	11.6
955.34314	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	954.6148
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	60.2
69.03432	3.0
69.06730	0.9
69.07071	13.6
71.04974	1.8
71.08624	0.6
73.02924	3.7
79.05493	36.4
81.03409	1.5
81.07056	61.0
83.04968	2.0
83.08611	8.4
85.02436	1.2
85.02908	16.4
85.06520	2.3
91.03963	11.9
91.04898	0.9
91.05480	23.5
93.07045	45.4
95.04971	3.3
95.08605	49.8
96.04466	0.8
97.02890	8.8
97.06529	2.6
97.10151	2.7
99.04426	1.0
99.08105	0.9
105.04512	0.8
105.07032	19.9
107.08596	24.8
109.02856	0.7
109.06497	1.1
109.10152	20.8
111.08086	2.2
111.11711	0.7
113.40852	0.6
115.03927	1.1
115.05436	0.7
117.07025	8.2
119.07796	1.2
119.08578	15.8
121.10143	22.1
123.08083	0.9
123.11706	8.8
125.09578	1.1
127.03915	5.6
129.07005	1.9
131.08562	12.9
133.10126	14.0
135.08113	0.6
135.11700	17.0
137.09607	1.0
137.13251	2.9
139.11186	0.9
143.08516	2.2
145.04962	5.4
145.10118	10.6
147.11697	12.7
147.12811	1.3
149.13261	8.3
151.11139	0.8
151.14825	0.8
157.10156	1.9
159.11688	9.6
161.13245	8.4
163.06026	8.6
163.11162	0.7
163.14801	5.1
169.10100	0.8
171.11661	3.0
173.13255	8.0
175.14833	4.0
177.16377	2.2
179.14326	0.9
183.11702	0.7
185.13239	3.0
187.14777	4.1
195.11513	0.8
199.14830	2.2
201.16354	2.1
213.16484	0.9
215.17943	1.4
217.19467	0.9
231.21057	0.8
233.22639	0.8
241.19592	4.3
243.21049	6.2
257.19043	1.1
259.20575	11.5
261.22137	22.5
262.22308	0.8
263.23718	1.6
277.21817	0.9
279.23297	0.6
285.22083	0.7
299.23651	1.2
310.46564	0.7
315.23148	0.9
317.24744	3.2
323.25900	0.7
333.24222	9.4
335.25800	100.0
336.26025	1.5
337.27390	15.6
347.26074	0.7
351.25095	0.9
353.27060	0.7
489.36029	0.8
501.36914	0.7
503.36624	0.8
503.42847	1.0
517.38434	0.8
521.43738	4.4
531.40326	0.9
539.44763	1.3
543.40442	0.8
557.42480	0.8
595.47180	17.8
613.48254	29.3
614.48096	0.7
828.96423	0.8
835.10248	0.7
837.26196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5858
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	3.0
69.03431	3.5
69.07066	0.7
69.21912	0.4
71.01373	0.4
71.04987	0.7
71.08649	1.2
71.26057	0.7
73.02914	3.3
79.05499	2.1
81.03423	1.1
81.07055	2.9
83.08629	0.9
85.02911	6.3
85.10206	0.5
87.04496	0.5
91.03955	3.3
91.05505	0.6
93.07062	2.2
95.08611	2.3
97.02898	5.9
99.04456	0.5
101.02371	1.8
103.03941	0.4
107.08623	0.7
109.02896	0.9
109.10165	1.0
113.59338	0.4
115.03875	0.4
119.08574	0.4
121.10175	0.5
127.03893	1.7
133.10184	0.4
135.11707	0.6
145.05025	0.8
159.11760	0.3
185.04234	1.1
203.05299	0.9
230.68103	0.4
243.08472	1.9
313.27390	0.5
347.09656	2.5
365.10764	1.3
368.92596	0.4
392.92117	0.4
405.13660	7.5
497.30853	4.6
497.36591	0.4
519.29285	8.0
641.71692	0.4
659.36163	4.8
681.34631	7.9
775.53479	1.6
870.46735	0.4
937.58582	100.0
938.58636	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	937.5862
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	1.5
69.03432	2.5
69.07073	0.5
71.08636	0.6
71.10849	0.5
73.02919	2.5
73.41527	0.2
79.05509	0.8
81.03426	1.2
81.07063	1.9
83.04965	0.2
83.08640	0.7
85.02911	4.0
85.03380	0.4
85.10161	0.2
87.04459	0.3
91.03958	2.7
91.05511	0.8
93.07053	1.2
95.08624	1.8
97.02894	4.3
99.04478	0.7
101.02404	1.4
104.99281	5.8
105.07061	0.3
107.08620	0.7
107.96739	0.5
109.02882	0.3
109.10209	0.9
115.03992	0.5
119.35915	0.2
121.10162	0.6
121.16744	0.2
121.84110	0.3
124.93801	0.3
127.03912	1.6
135.11754	0.3
145.05011	0.4
149.13364	0.2
159.11786	0.3
185.04272	1.1
186.99538	2.8
203.05290	0.5
214.95097	0.2
243.08264	1.1
268.99866	2.0
271.00070	0.2
271.97443	0.3
286.99088	0.7
303.70667	0.2
313.27539	0.8
335.25912	0.6
347.09604	2.0
351.00214	0.4
363.09302	0.3
365.10806	1.0
386.98596	0.3
394.92352	0.3
405.13678	4.7
405.18555	0.4
410.06680	0.2
433.00577	0.7
497.30872	2.8
519.29297	4.4
659.36145	3.3
681.34595	5.1
775.53027	1.0
797.54095	0.3
877.48254	0.4
937.58630	100.0
938.59357	3.5
960.76068	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	2.6
67.05511	56.0
69.03437	4.3
69.07071	12.4
69.46382	4.4
71.04997	3.5
73.02895	2.3
77.03973	0.7
79.05500	42.1
81.03424	70.3
81.07064	59.7
82.93504	0.7
83.04988	6.2
83.08150	1.3
83.08624	19.6
85.02910	8.6
85.06544	1.8
91.03959	4.0
91.05488	33.5
93.07050	42.3
95.04363	1.5
95.04977	27.2
95.08617	43.6
97.02908	6.1
97.06532	3.8
97.10173	7.7
98.21431	1.6
99.08079	1.5
105.04516	1.3
105.07043	24.8
107.04967	7.3
107.08606	26.2
109.02870	1.1
109.06534	3.9
109.10164	21.3
111.04421	2.0
111.08099	5.7
111.11746	0.9
115.05441	1.7
117.07043	7.5
119.04923	1.2
119.08587	23.6
121.02964	0.7
121.06532	3.8
121.09319	1.4
121.10155	21.8
123.04426	2.3
123.08057	3.0
123.11725	6.7
125.09634	5.9
127.03898	1.9
128.06238	0.8
129.07022	10.3
131.04988	0.8
131.08569	17.8
133.06480	2.8
133.10144	15.7
135.04448	0.7
135.08043	2.1
135.11711	12.7
137.05983	1.0
137.09592	3.0
137.13248	2.5
139.11156	1.1
139.55130	0.7
142.07770	2.8
143.08562	3.1
145.04961	2.3
145.06268	0.6
145.07658	0.7
145.10135	10.0
147.04338	1.1
147.08083	3.2
147.11705	11.7
149.09618	4.6
149.13248	7.7
151.11212	0.9
155.08519	1.0
157.10158	9.4
159.11720	8.1
161.09636	1.0
161.13211	3.5
163.06071	4.6
163.11163	3.2
163.14859	3.3
163.93251	0.6
165.12712	1.8
169.10106	1.6
171.11720	2.6
173.13284	5.5
175.11214	9.0
175.14821	2.7
177.12779	1.3
177.16391	1.4
183.11717	0.9
185.13254	2.8
187.11247	0.8
187.13309	0.9
187.14786	3.2
189.05470	1.2
189.11214	2.6
189.12630	1.2
189.16299	1.1
193.12260	21.3
199.14835	1.4
201.16388	1.2
205.15764	0.8
211.13251	1.6
219.17606	0.7
221.15344	0.8
223.13248	0.8
227.12784	6.8
233.22527	1.0
235.13266	3.2
241.19753	1.1
241.74107	1.0
243.15988	0.9
243.21121	5.4
249.14903	2.9
259.13361	2.2
259.20688	0.9
261.22168	23.0
265.14255	1.0
267.15930	91.7
268.16080	1.0
273.14838	1.7
279.23419	1.1
285.22104	1.3
299.23740	1.0
301.14301	1.7
301.25272	6.8
309.16989	4.9
317.24759	2.8
323.22232	1.1
333.16840	0.8
333.24396	1.2
335.25821	100.0
357.27814	1.1
359.26050	0.7
368.05283	0.8
393.19165	1.5
403.24512	1.1
417.26514	0.9
421.25916	3.1
435.27274	3.5
435.32690	4.7
449.29031	1.3
453.33624	8.7
461.28851	0.7
471.34711	5.4
475.30560	1.2
509.36197	2.3
527.37366	77.3
528.38092	1.2
545.38409	86.2
546.39185	1.6
559.39886	2.9
569.38367	12.6
577.40741	1.3
587.39532	2.8
592.16846	0.8
593.38324	1.0
611.39319	2.4
623.39362	4.3
635.39478	4.6
653.40387	4.0
671.41327	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	932.6309
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	1.5
67.05509	33.1
69.03413	2.4
69.07074	11.6
69.52629	3.6
71.04992	0.8
71.08635	19.4
73.02929	3.8
79.05501	19.2
81.03411	1.4
81.07061	42.2
83.04942	0.7
83.08630	10.2
85.02910	14.6
85.06532	1.3
85.10187	10.1
89.06018	1.5
91.03956	9.9
91.05483	9.6
93.07048	26.3
95.04959	1.5
95.08611	38.1
97.02394	0.7
97.02907	9.7
97.06512	1.8
97.10180	5.8
99.04440	1.0
99.08065	1.0
103.07545	0.7
105.04473	0.8
105.07034	9.3
107.08607	16.9
109.02905	0.8
109.06485	0.8
109.10165	18.6
111.08044	0.8
111.11746	0.7
113.09599	0.7
115.03896	0.8
117.07034	3.9
119.07801	0.8
119.08591	7.7
121.09321	1.0
121.10152	12.9
121.27857	0.6
123.08034	0.8
123.11712	6.4
127.03932	3.5
131.08582	6.8
133.10141	6.7
135.11694	9.6
137.13249	1.9
139.11122	0.6
145.04959	5.6
145.10136	6.5
147.11688	5.1
149.13261	6.5
151.14809	1.1
159.11694	3.9
161.13283	3.1
163.06024	7.8
163.14822	4.6
173.13330	4.8
175.14781	1.6
177.16371	1.2
187.14803	2.7
201.16302	1.1
233.22635	1.6
239.23657	3.0
243.21120	10.1
257.24725	1.8
261.22156	37.6
275.23712	0.6
279.23007	0.8
299.23642	0.8
300.67526	0.7
313.27380	100.0
314.27725	0.9
317.24777	5.7
335.25815	86.6
336.25916	1.2
338.10703	0.6
499.45291	1.1
573.48810	48.2
574.49188	0.9
591.49866	11.4
652.91864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.7907
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	0.9
67.05507	18.4
67.05883	0.9
67.98758	0.4
69.07074	17.3
71.04994	0.5
71.08633	1.2
71.34627	0.5
79.05498	8.0
81.07060	34.3
83.05032	0.5
83.08622	7.2
85.06551	0.9
85.34155	0.4
88.30528	0.4
91.05476	9.7
91.06017	0.8
93.07047	21.2
95.04978	0.7
95.08611	50.3
97.06551	0.8
97.10175	3.3
99.08076	4.0
103.05495	0.5
105.06313	1.0
105.07037	36.4
107.08599	36.7
109.06542	1.2
109.10162	59.2
111.08108	1.3
111.11719	1.7
113.09584	0.6
117.07030	1.9
119.08589	35.1
121.10148	31.4
123.08064	1.4
123.11715	34.9
123.39935	0.4
127.11207	5.3
128.39999	0.5
129.07034	0.5
131.08589	3.8
133.09097	0.7
133.10139	26.8
135.11702	31.5
136.12003	0.4
137.13287	6.2
139.11227	0.7
143.08583	0.9
145.10120	7.7
146.10866	0.6
147.04416	0.7
147.11694	80.3
149.13271	20.2
151.11191	1.9
151.14867	1.9
153.12674	0.4
157.10156	1.8
158.10931	0.5
159.11693	8.2
160.12520	0.6
161.13266	21.2
163.14825	13.5
165.12741	1.0
165.16364	1.0
171.11728	1.5
173.13284	6.7
175.14833	10.5
177.16379	5.3
179.14342	3.2
179.17989	0.7
185.13264	1.8
187.14832	5.8
189.16400	24.3
191.14281	0.8
191.17961	7.4
193.15991	0.5
193.19577	0.5
199.14844	1.2
201.16394	4.4
203.17967	40.2
205.19501	4.6
207.17451	34.9
213.16434	1.7
215.17975	5.5
217.19527	26.8
219.21091	1.9
221.19020	6.0
225.16360	0.5
227.18001	1.2
229.19537	6.7
231.21092	4.4
233.19072	0.9
235.20605	0.6
241.19499	2.3
243.21056	3.3
245.22662	3.9
247.20549	4.3
247.24374	0.8
255.21158	1.6
257.22717	4.4
259.20544	0.7
259.24207	1.5
261.22144	1.6
269.22632	1.8
271.24228	8.0
273.22095	0.8
273.25827	2.4
283.24234	2.5
285.25806	5.2
287.23724	0.5
297.25778	2.1
299.27200	0.8
301.25461	0.6
309.25821	0.5
311.27374	1.1
315.26920	1.3
323.27423	0.6
325.28979	0.7
329.28296	0.7
337.28931	0.4
343.30124	0.7
351.30438	3.2
367.33514	1.0
369.31506	10.0
407.36752	24.6
424.53320	0.5
425.37790	100.0
426.38226	1.5
443.38876	54.6
825.57312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.7907
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	0.9
67.05508	15.4
69.07072	17.0
69.96994	1.6
71.08622	0.7
77.03906	0.4
79.05492	6.5
81.07060	34.6
83.08144	0.5
83.08622	7.3
85.06551	0.6
91.05480	6.9
93.07051	18.9
95.04935	0.5
95.08610	51.3
97.06538	0.6
97.10160	3.1
98.20882	0.6
99.08099	6.6
105.07037	27.9
107.08599	35.1
109.06527	1.1
109.10161	59.2
110.10500	0.4
111.08083	1.2
111.11713	1.7
117.07027	1.3
119.07692	0.6
119.08586	29.4
121.10148	29.6
123.08070	1.3
123.11712	33.0
125.09644	0.3
125.13245	0.5
127.11187	5.2
131.08572	4.5
133.09102	0.9
133.10139	22.6
135.11697	29.4
137.09604	0.7
137.13255	6.2
139.11156	0.9
143.08574	0.9
145.10117	5.9
147.11696	53.3
149.13263	18.4
151.11230	1.0
151.14832	1.7
153.12775	1.0
157.10127	1.5
159.11687	7.5
160.12471	0.6
161.13261	19.3
163.14833	13.5
165.12798	0.9
165.16434	0.9
171.11690	1.4
172.12337	0.4
173.13286	6.8
174.14006	0.5
174.53583	0.3
175.14832	9.9
177.16393	4.8
179.14352	3.3
179.17839	1.7
181.15854	0.4
185.13286	1.6
187.14830	6.4
189.16393	22.6
191.17943	8.5
191.19620	0.7
199.14838	1.5
201.16417	4.8
203.17966	32.3
205.15915	0.6
205.19516	4.6
207.17448	29.0
213.16409	1.3
214.17113	0.4
215.17982	5.4
217.19537	26.5
219.21114	1.3
221.19011	4.1
227.17978	1.6
229.19534	6.4
231.21053	3.4
233.18921	0.5
235.20581	0.7
241.19504	1.9
243.21097	4.2
245.22630	4.4
247.20602	3.9
247.24297	0.5
255.21111	1.8
257.22644	4.8
259.20612	0.7
259.24103	1.8
261.22083	2.0
269.22678	3.3
271.24225	10.1
273.22287	1.0
273.25797	2.5
275.23816	0.6
281.22540	0.5
283.24191	3.0
285.25769	6.3
287.23859	0.7
295.24252	0.4
297.25851	1.6
299.27359	0.8
301.25320	1.0
311.27368	1.4
313.25040	0.4
315.26691	1.0
323.27023	0.5
325.28922	0.9
329.28522	0.8
337.28912	0.7
343.29883	0.5
351.30545	2.2
367.33429	1.0
369.31528	6.9
407.36737	26.0
408.37094	0.5
425.37793	100.0
426.38080	1.8
443.38876	43.6
444.39227	0.7
567.85760	0.4
921.29181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.558
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	2.1
67.05507	45.8
69.03437	1.9
69.07070	8.4
71.01354	0.5
71.04995	14.9
73.02920	2.1
75.87698	0.4
79.05496	25.2
81.03448	2.1
81.07059	66.4
83.04990	3.1
83.08624	5.8
85.02905	7.8
85.06546	4.9
87.04478	1.0
88.35970	0.4
91.03979	3.4
91.04572	0.4
91.05483	21.6
93.07047	26.8
94.07407	0.4
95.04967	2.3
95.08612	19.5
97.02891	4.5
97.06534	3.4
97.10158	2.3
99.04453	0.6
99.08082	0.8
101.06073	0.6
105.04562	0.8
105.07037	11.6
107.08601	16.2
109.02896	0.6
109.06539	1.6
109.10159	11.1
110.06026	0.4
111.08073	1.2
117.07017	4.4
119.08582	5.8
121.10146	13.0
123.08089	1.1
123.11709	10.3
125.09652	0.9
127.03896	2.1
129.07065	0.6
131.08582	7.2
133.10138	14.3
135.08107	0.9
135.11693	7.7
137.13284	0.6
139.11185	0.6
143.08656	0.5
145.04980	2.0
145.10144	3.6
147.11716	4.5
149.13268	5.3
151.11197	5.7
152.05800	0.5
153.12692	0.5
157.10181	0.8
159.11690	4.7
160.01395	0.4
161.13286	2.1
163.06023	2.1
163.11230	0.7
163.14819	0.9
165.12712	0.5
169.12248	1.0
171.11737	0.5
173.04503	0.6
173.11845	0.8
173.13298	2.8
175.14767	1.0
177.12819	1.3
183.13875	1.9
185.13220	0.5
187.13342	3.5
187.14812	0.8
195.13835	1.2
201.14871	0.5
227.16394	1.1
229.14409	1.4
243.16046	1.2
243.21194	0.7
257.17529	1.1
261.22076	2.3
269.17484	5.0
285.17212	0.5
301.20093	10.6
335.25809	19.9
411.32806	1.1
437.34003	0.7
445.24329	0.8
455.35089	0.6
485.36343	2.2
503.37335	65.6
504.37692	1.3
511.37781	0.7
517.39038	2.3
529.38904	14.7
547.40466	0.7
561.41528	100.0
562.41827	2.1
647.41144	0.8
673.42566	0.9
705.45490	1.6
920.49500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	2.2
67.05510	53.7
69.03429	2.9
69.06720	0.9
69.07075	10.2
69.38776	3.9
71.04999	17.4
71.08624	0.6
71.88213	0.4
73.02920	2.6
73.06561	0.8
77.03934	0.8
79.05499	31.0
81.03432	2.7
81.07062	77.2
83.04989	4.0
83.08621	7.4
85.02908	10.7
85.06548	7.1
87.04486	0.8
87.37242	0.5
91.03966	5.9
91.05486	25.6
93.07051	35.0
95.04973	3.0
95.08612	22.8
95.09225	0.6
96.04489	0.6
97.02903	5.6
97.06538	4.4
97.09653	0.5
97.10174	3.3
99.04474	0.5
99.08123	1.3
105.04519	0.6
105.07034	14.4
105.67635	0.5
107.04955	0.5
107.08602	17.0
109.02859	0.7
109.06544	2.3
109.10163	14.6
111.08111	1.4
115.03940	0.7
117.07005	5.4
119.08587	9.6
121.06474	0.7
121.10147	16.0
123.08065	1.1
123.11717	11.6
123.12572	0.7
125.09654	2.1
127.03944	2.2
129.05518	0.6
129.07007	1.0
131.08574	7.9
133.10138	17.0
135.08110	0.5
135.11696	10.1
137.09624	1.0
137.13235	0.6
139.11223	1.0
143.08565	1.3
144.09254	0.6
145.04991	2.4
145.10127	5.4
147.11661	4.4
149.09657	0.7
149.13281	6.7
151.11174	5.3
153.12793	0.8
155.10651	0.5
157.10185	1.5
159.11694	6.6
161.13246	3.7
163.06030	3.3
163.11234	0.9
163.14903	0.8
165.12810	0.7
169.12289	1.2
171.11710	1.5
173.11771	1.1
173.13306	3.1
175.14893	1.2
177.12791	1.6
179.14290	0.7
183.13870	2.5
185.13307	0.7
187.13329	3.2
187.14886	1.4
195.13907	1.3
196.00803	0.5
199.14938	0.6
201.14816	1.0
211.14996	0.6
227.16357	2.5
229.14348	3.3
243.15881	1.0
243.21269	0.7
253.18051	1.3
257.17572	1.4
259.20636	1.1
261.22104	2.8
269.17502	5.7
301.16782	0.7
301.20087	18.7
312.99738	0.5
317.24765	0.6
335.25830	17.0
336.26370	0.7
383.24261	0.7
393.31827	0.6
399.24011	1.0
411.32675	1.7
419.33716	0.5
429.33569	0.6
437.34143	1.6
445.24350	1.1
455.35159	0.9
463.07813	0.5
475.35135	0.6
485.36404	4.3
487.38361	0.5
503.37344	72.0
504.37830	1.8
511.37790	3.3
517.38965	2.1
529.38904	32.5
530.39099	0.9
547.40002	1.0
561.41522	100.0
562.41516	3.2
611.39056	0.6
619.90973	0.6
673.42963	0.8
705.45508	1.4
723.42505	0.7
920.52032	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.2
67.05510	59.4
69.03438	4.1
69.07076	14.4
69.80653	4.2
71.01353	1.9
71.04994	4.4
71.08633	1.0
73.02929	4.1
79.05499	45.5
80.47705	0.8
81.03424	19.5
81.07061	52.2
83.01353	1.7
83.04986	15.3
83.08621	10.6
85.02911	17.6
85.03427	0.9
85.06548	2.2
91.03958	8.4
91.04899	0.8
91.05482	24.9
93.07050	55.9
95.04974	8.7
95.08612	42.4
97.02895	14.6
97.06533	7.7
97.10165	5.1
98.21453	0.9
99.04460	3.0
99.08130	0.9
103.05471	0.9
105.04563	1.0
105.07037	20.8
107.04953	11.8
107.08598	35.4
109.02905	1.6
109.06534	4.0
109.10162	18.7
111.04456	8.6
111.08069	4.6
113.06136	0.7
115.03909	0.9
115.05398	1.0
117.07034	11.5
119.08585	18.8
121.06540	3.6
121.10154	25.2
123.04432	1.0
123.08095	6.0
123.11723	5.9
125.06021	2.2
125.09646	2.7
127.03906	2.7
128.06261	1.1
129.07031	3.9
130.07773	1.5
131.08578	16.3
133.06509	1.1
133.10144	12.0
135.08080	2.7
135.11697	26.9
135.12712	1.5
137.09641	2.3
137.13266	1.8
139.07570	1.0
143.08543	4.0
145.05002	2.9
145.06477	2.1
145.10135	22.8
147.08015	3.6
147.11705	6.3
149.09589	3.8
149.13269	4.6
151.11191	2.4
153.12761	9.4
155.08575	3.3
157.10144	2.5
159.11685	6.7
161.09641	0.9
161.13290	4.7
163.06064	4.3
163.07372	0.9
163.11191	32.2
163.14842	2.2
169.10175	1.5
171.11661	1.8
173.09621	6.9
173.11989	1.0
173.13251	4.5
175.14853	1.3
180.08694	1.0
181.12251	9.1
183.11690	1.1
185.13347	1.1
187.14853	2.6
189.09157	1.3
189.11237	1.5
191.10680	9.2
193.12277	1.4
197.13280	1.0
201.16347	1.1
209.11740	17.8
209.13622	1.4
211.13266	1.1
223.76680	0.8
227.12784	17.7
229.14418	2.4
243.21210	3.2
255.15871	0.8
259.20654	1.8
261.22159	12.0
265.14310	4.8
267.15887	1.7
283.15408	36.7
299.14923	1.3
299.23755	2.6
301.16470	49.0
301.41510	0.7
315.23315	0.9
317.24805	2.4
333.24399	1.5
335.25824	77.5
336.26300	1.5
415.29745	1.5
433.31073	2.7
445.21014	1.1
451.32074	3.4
469.33167	3.5
487.34058	1.7
507.35159	0.8
525.35767	13.3
543.36829	84.0
544.37250	1.3
561.37885	100.0
562.38165	1.6
579.39282	1.7
687.40765	1.3
690.23877	0.9
705.42059	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	919.5231
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.7
69.03428	2.5
69.07060	0.8
71.01355	0.4
71.04996	0.7
71.08630	0.7
73.02921	2.5
79.05503	1.3
81.03426	2.0
81.07056	1.8
83.04955	0.3
83.08608	0.7
85.02901	4.6
85.10165	0.5
87.04473	0.3
91.03953	2.2
91.05495	1.4
91.52107	0.3
93.07066	0.6
95.04980	1.1
95.08607	1.4
96.48760	0.3
97.02898	4.2
97.10192	0.4
99.04454	0.5
101.02378	1.5
105.07037	1.0
107.08594	0.4
109.02918	0.6
109.10175	0.9
119.08593	0.7
121.10175	0.7
127.03909	1.8
131.08594	0.7
133.10132	0.7
136.47969	0.3
147.04439	2.0
147.11601	0.3
149.09639	1.0
163.03986	0.9
175.11134	0.5
183.03320	0.3
185.04256	0.8
193.12306	0.9
203.05391	0.6
243.08481	1.3
267.16000	0.6
283.15149	2.4
313.27679	0.7
339.17874	0.9
347.09467	2.9
363.08633	0.5
365.10703	0.9
405.13727	4.4
458.95804	0.3
467.02939	0.3
469.20465	0.5
497.30981	5.2
501.23090	9.2
655.48175	0.3
659.36011	5.9
663.28424	8.8
702.47278	0.3
738.11060	0.4
757.46759	2.6
919.52344	100.0
920.52234	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	918.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44581	0.4
64.85694	0.4
67.05412	9.2
67.05808	1.2
69.03329	1.9
69.06976	2.9
71.04902	1.9
71.56322	0.5
73.02866	0.6
79.05393	11.6
79.05895	1.2
81.03319	28.3
81.03844	2.6
81.06959	11.5
81.07468	1.1
83.04881	3.2
83.08516	10.0
83.09045	1.0
85.02801	2.2
85.06487	0.6
91.03897	0.7
91.05377	9.9
93.06937	9.3
93.07549	0.6
95.04860	12.8
95.08604	5.4
97.02768	1.8
97.06421	1.7
97.10170	9.4
98.69511	0.4
99.08038	0.4
102.16518	0.4
103.05414	0.6
105.07033	7.6
106.01549	0.5
107.04957	9.0
107.08587	7.3
109.06517	5.0
109.10152	4.5
111.04376	0.5
111.08064	3.8
115.05373	0.8
117.07024	3.6
119.04842	0.8
119.08581	6.4
121.06507	5.8
121.10145	5.6
123.04337	1.2
123.08042	2.5
123.11623	0.8
125.02410	0.5
125.05948	0.8
125.09631	9.5
127.03836	0.9
128.06123	0.5
129.07004	5.6
131.04807	1.2
131.08566	7.4
133.06508	2.8
133.10123	3.4
135.08072	3.0
135.11565	1.4
137.05914	0.9
137.09557	0.9
139.11121	0.9
141.06868	1.6
142.07693	1.2
143.08453	1.6
145.06487	4.2
145.10115	3.6
147.04312	1.2
147.08060	3.3
147.11697	4.7
149.09622	3.8
153.08983	1.8
153.12677	0.9
155.08398	1.3
157.06375	1.1
157.10167	5.6
159.07965	1.6
159.11591	1.2
161.04608	0.4
161.05887	1.5
161.09491	1.3
161.13214	0.7
163.05965	0.6
163.11217	2.4
165.08960	0.4
165.12617	1.2
167.08487	0.9
167.10577	0.6
169.06342	0.6
169.09979	1.5
171.07893	1.3
171.10056	0.9
171.11536	1.7
173.09457	0.5
173.13196	0.9
175.11172	4.9
177.12654	1.2
179.08522	0.6
181.10054	0.8
183.11591	0.9
185.09489	1.3
185.13193	1.0
187.11087	1.4
187.14745	0.8
189.08931	0.8
189.11095	4.8
189.12701	1.4
191.10408	0.6
191.14206	1.0
193.10382	0.7
193.12224	13.6
195.11598	1.3
197.13174	1.2
199.11020	1.3
199.12921	0.5
201.12654	0.7
203.14207	0.5
205.12143	1.5
207.11545	0.5
209.13271	0.7
209.15382	0.5
211.13177	0.7
213.12634	1.2
215.14243	1.8
217.12172	1.0
219.13808	2.1
223.11023	1.3
223.13106	0.7
224.40926	0.4
225.12709	0.9
227.12682	1.6
231.13638	1.3
233.15344	3.3
235.13159	1.5
237.12701	1.1
239.14209	0.6
241.14209	0.9
245.15417	0.7
249.14803	1.7
255.13690	1.6
259.13196	1.0
267.15903	38.8
268.16025	0.6
269.15402	0.7
273.14755	4.5
275.16397	0.5
281.15302	0.6
287.16476	0.9
289.14325	0.6
291.15897	0.7
293.17465	0.7
309.16953	1.1
321.22073	0.7
331.20581	0.8
339.23169	2.3
349.21649	4.3
357.24310	2.3
367.18417	0.8
367.22696	11.4
385.23740	18.4
403.24796	4.7
405.24326	0.5
423.25323	0.6
441.26392	10.5
459.27411	97.7
460.27798	1.9
477.28485	100.0
478.28769	2.0
491.30075	13.8
501.28439	5.3
504.26031	0.5
509.31223	4.5
513.28497	2.1
519.29773	1.0
531.29541	1.8
541.33966	0.9
543.29443	2.3
555.29602	1.3
567.29529	5.6
573.30530	0.8
585.30548	2.3
603.31335	1.2
621.33154	0.9
660.46100	0.5
895.41083	0.5
918.49518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.7593
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.0
67.05179	0.7
67.05510	11.6
69.06735	0.8
69.07078	11.0
71.08630	1.0
71.55910	0.6
79.05503	4.4
81.07062	25.4
83.04981	1.0
83.08628	5.2
91.05479	4.9
93.06474	0.9
93.07047	11.5
95.04946	1.0
95.08616	29.5
97.06485	1.2
97.10167	2.0
99.08099	8.3
105.07035	14.7
107.08601	23.1
109.06514	1.8
109.10161	44.7
111.08148	0.6
111.11724	1.1
111.94508	0.5
117.07047	1.7
118.20293	0.6
119.08588	17.0
121.10157	21.0
123.08099	1.8
123.11716	21.6
125.09670	1.3
127.11214	6.9
131.08604	2.9
133.10138	13.5
135.08104	0.7
135.11702	11.0
137.09610	0.8
137.13290	3.3
139.11197	0.9
143.08569	1.1
145.10143	6.2
147.11697	31.7
149.09583	1.3
149.12173	0.9
149.13264	9.8
151.11195	1.6
151.14865	1.3
157.10117	1.5
159.11720	5.5
161.13263	11.9
163.11195	7.2
163.14838	7.0
165.12753	1.3
165.16385	0.9
171.11720	2.0
173.13258	5.9
175.11223	0.8
175.14833	5.2
177.12755	3.0
177.16391	3.4
179.14346	1.2
179.17932	1.0
183.11873	0.6
185.13260	1.3
187.14842	4.2
189.12772	0.8
189.16350	4.3
191.14322	1.0
191.17987	2.1
193.15987	0.7
197.13171	0.6
199.14874	1.2
201.16400	3.8
203.17972	31.4
205.15901	13.1
205.19579	2.8
207.17522	0.9
211.14816	0.6
213.16377	1.1
215.17961	2.9
217.16092	0.9
217.19522	14.1
219.17485	2.9
219.21034	0.8
221.19014	4.2
227.17908	0.8
229.19594	1.3
231.17476	1.4
231.21135	1.8
233.18967	1.8
239.17889	0.7
241.19521	1.5
243.21078	1.0
245.19014	4.8
245.22736	1.9
255.21107	1.1
257.19049	1.3
257.22659	1.2
259.20523	4.1
267.21268	0.6
271.20645	1.8
271.24207	3.5
273.22272	1.5
285.22293	1.6
285.25815	3.2
289.70154	0.6
295.24298	0.7
297.25653	0.7
299.23663	1.7
299.27161	0.6
311.23587	0.6
313.25238	2.7
327.26871	0.8
337.28922	0.7
339.26950	1.1
341.28384	1.2
365.31714	0.7
367.29913	4.5
378.60324	0.6
405.35422	2.9
423.36240	100.0
424.36606	1.9
441.37296	40.8
442.37729	0.9
526.07190	0.5
860.68005	0.6
877.54962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
66.47142	0.4
67.05466	0.6
69.03379	1.2
69.62131	0.4
69.80355	2.2
70.06561	0.5
79.05441	0.7
81.03405	0.7
81.06989	0.5
85.02845	1.7
85.03323	0.5
91.05431	0.7
93.06985	0.7
94.06521	0.7
96.08063	0.6
97.02888	0.9
98.21427	0.7
99.04420	0.5
107.75945	0.4
108.08075	1.1
108.16766	0.3
110.09618	1.3
113.64705	0.4
119.08535	0.4
120.08119	3.7
122.09610	0.5
127.03907	0.5
129.07037	0.6
131.07260	1.5
136.07510	1.3
137.05954	0.7
138.09120	2.7
146.09662	4.0
150.09113	1.0
151.89410	0.4
162.09084	0.5
164.07053	0.5
166.08676	3.6
167.06958	0.6
171.09148	0.5
172.07573	0.5
174.09172	4.5
185.07014	0.4
192.10132	2.5
196.09937	0.4
197.10585	0.4
199.08626	1.0
202.08571	1.5
204.10217	0.4
213.06630	3.8
213.10188	0.5
218.08121	0.5
220.07738	0.7
220.09689	9.6
223.08662	1.3
224.09378	0.9
225.10260	2.8
226.07347	1.2
227.08119	3.8
228.08899	0.9
229.09598	0.7
234.11215	1.0
236.09242	0.6
237.06621	0.8
237.10068	0.6
239.08051	1.5
239.11792	0.9
241.06039	1.1
241.09669	1.8
242.10266	0.7
243.11296	2.9
248.09102	0.6
251.08131	2.8
252.08881	2.2
253.09711	5.9
254.10455	0.8
255.07767	1.0
255.11374	0.7
256.08389	1.1
257.09076	0.7
259.10785	0.6
263.08173	1.3
265.09750	1.2
267.07703	1.6
267.11267	7.8
269.09183	1.3
269.12436	0.6
270.09918	0.9
271.10617	0.9
276.08804	0.6
279.07654	11.7
279.10825	0.8
280.08405	4.2
281.09204	12.8
282.09967	1.3
283.07288	0.7
283.10696	0.9
285.08810	0.4
285.12289	0.6
287.10165	0.9
292.08472	0.6
293.09225	1.5
294.09921	1.0
295.07639	0.5
295.10764	13.0
296.11533	2.1
297.08768	2.8
297.11899	0.7
298.09439	0.6
299.10098	1.2
300.07550	0.8
307.07205	2.6
308.07959	1.1
309.08670	6.1
310.09570	2.2
311.06589	0.6
311.10284	1.3
313.11801	1.4
313.69287	0.4
315.09744	27.8
316.10172	0.6
321.08640	0.8
322.09579	0.6
323.10178	1.4
324.11008	0.8
325.08167	1.2
325.11841	4.9
326.08829	0.6
327.09860	0.9
335.06683	1.4
339.09695	1.6
340.10480	0.5
341.11331	17.8
347.12418	6.6
350.08923	0.7
351.09631	2.3
353.07544	1.3
355.13174	0.9
368.05267	0.9
368.10031	29.6
369.10818	61.8
370.11237	1.1
371.12750	0.7
381.10669	1.2
387.11905	5.1
388.12543	0.5
399.12003	0.8
400.12579	4.8
400.17007	0.3
401.13458	14.9
402.14066	0.6
430.13654	0.5
432.15445	0.8
460.19104	0.6
462.20227	0.5
476.14270	1.0
478.19705	1.3
488.18167	1.3
506.19312	2.8
508.17255	0.6
516.17542	1.0
521.70239	0.5
526.18280	0.7
534.18799	4.1
538.21558	1.6
552.19739	0.6
566.21381	25.5
567.21307	0.9
568.22534	0.7
598.24091	2.5
655.24646	0.7
659.24915	0.5
664.21191	0.7
673.25171	1.2
677.28400	0.6
696.24274	4.0
700.26770	0.8
705.27844	2.7
723.29016	0.6
728.26605	100.0
729.27258	2.7
760.29199	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	916.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.0
67.05509	45.8
67.14102	0.4
67.86932	0.4
69.03436	3.0
69.07071	10.4
70.13743	0.8
70.14132	0.9
71.01349	1.2
71.05001	2.2
71.05302	0.4
71.08636	19.4
73.02924	2.7
75.04478	0.5
76.39661	0.3
79.05498	12.6
81.03425	4.3
81.07063	21.7
82.07346	0.4
83.04998	3.2
83.08624	15.6
85.02909	17.6
85.06537	2.2
85.10188	12.2
87.04482	3.7
89.06028	1.5
91.03967	4.5
91.05486	5.6
93.07056	5.9
95.04967	2.1
95.08610	20.0
97.02901	5.9
97.06518	1.7
97.10174	19.4
98.10465	0.4
99.04442	0.9
99.08083	0.4
99.11722	0.6
103.03929	1.8
103.07561	0.8
105.07037	1.7
107.04969	1.9
107.08596	7.8
109.02886	0.7
109.06548	0.5
109.10162	42.1
111.04440	1.6
111.08070	1.2
111.11717	1.2
113.13248	0.5
115.03912	0.5
117.07021	1.3
117.09156	0.6
119.08594	4.3
121.06470	0.6
121.10159	3.4
123.08045	0.9
123.11742	3.1
125.09634	13.8
125.13271	0.7
127.03935	1.9
129.05476	0.5
129.06973	0.4
131.08569	1.2
133.10100	1.2
135.08067	0.7
135.11684	1.7
137.09657	2.0
137.13252	1.2
139.11188	0.5
140.39001	0.4
143.08551	0.4
143.10669	2.9
145.04984	2.0
145.10123	2.2
147.11668	0.7
149.09558	0.4
149.13284	0.5
151.14839	0.4
153.12764	1.0
155.08611	0.4
155.10680	3.2
157.10074	0.5
159.06578	0.6
163.06035	2.0
163.11224	2.5
172.28928	0.5
173.09544	0.8
173.11755	9.9
181.12207	1.1
189.11122	0.6
191.10686	1.8
193.12268	0.8
199.13304	10.8
209.11723	4.3
217.14404	1.0
221.22726	0.5
223.13327	0.9
227.12799	5.8
229.14362	60.8
239.23726	3.8
245.13692	0.6
257.13892	1.0
257.24786	1.3
265.14325	1.1
267.15952	2.8
283.15411	3.9
297.17001	1.3
299.15012	0.8
301.16470	28.9
313.27374	100.0
314.27798	1.6
329.68903	0.4
331.28366	0.5
335.25754	2.0
341.26953	2.2
353.63300	0.4
373.25916	0.4
397.29477	0.5
411.19049	0.4
436.55811	0.4
437.36377	6.1
455.30951	0.8
455.37344	14.8
463.21729	1.4
467.37354	37.9
468.37769	0.7
489.35782	0.8
503.37250	0.5
505.38873	2.0
521.38367	3.7
539.39441	18.3
557.40204	3.8
668.56506	0.4
676.75641	0.4
701.44849	2.2
881.70667	0.4
894.17291	0.4
916.48676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.4
65.76405	0.5
67.05504	39.5
69.03084	0.6
69.03410	2.8
69.06714	0.8
69.07068	9.2
70.08596	0.5
71.01353	1.3
71.04976	1.7
71.08633	17.1
71.56241	0.5
73.02910	2.6
79.05059	0.8
79.05495	10.0
81.03426	3.7
81.06579	1.1
81.07054	19.9
83.04980	2.9
83.08144	1.0
83.08617	14.6
85.02901	17.8
85.06540	2.0
85.09724	0.8
85.10183	10.6
87.04457	4.4
89.06018	1.6
91.03955	4.6
91.05478	5.3
93.07053	5.5
95.04955	1.1
95.08607	19.1
97.02894	5.8
97.06519	1.5
97.10171	17.3
99.04433	0.9
103.03946	1.4
103.07568	1.1
105.07010	2.0
107.04956	1.4
107.08599	7.0
109.06477	0.8
109.10156	34.8
111.04462	1.0
111.08063	1.4
117.07021	1.2
119.08588	3.1
121.10134	2.6
123.11710	3.5
125.09635	14.3
127.03912	1.9
129.06854	0.5
130.52412	0.6
131.08539	0.8
133.10112	0.9
135.11678	2.0
137.09593	1.5
137.13231	1.2
139.11177	0.7
143.10674	2.8
145.04962	2.3
145.10098	1.9
145.13148	0.5
153.12740	1.0
155.10645	2.3
159.06601	0.7
163.06029	1.9
163.11182	2.6
163.14502	0.6
169.12228	0.5
173.04593	0.6
173.11736	9.4
181.12305	0.8
191.10652	1.8
193.12251	1.0
199.13292	10.8
209.11740	4.2
217.14420	0.7
227.12778	6.1
229.14346	54.5
230.14944	0.6
239.23668	4.0
257.13873	1.9
257.24850	2.3
265.14331	0.8
267.15866	2.6
283.15381	4.9
301.16452	31.5
302.16776	0.6
313.27356	100.0
314.27686	1.8
319.17337	1.0
335.25800	0.8
341.26831	1.3
437.36179	6.1
455.37335	15.8
463.21689	1.0
467.37326	33.8
468.37616	0.9
505.38776	1.5
521.38361	3.1
539.39423	18.1
557.40210	4.4
701.44012	1.5
766.88361	0.6
769.34485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	36.3
69.03423	3.4
69.07071	10.3
71.01376	0.9
71.04982	2.6
71.08634	21.0
71.55102	0.7
71.55505	0.9
73.02916	2.7
79.05499	12.1
81.03420	4.6
81.07062	22.1
83.04984	3.5
83.08620	16.5
85.02425	1.3
85.02908	16.5
85.06544	2.0
85.10179	10.4
87.04480	4.7
89.06038	0.8
91.03967	3.8
91.05479	4.8
93.07053	4.6
95.04974	1.2
95.07981	0.9
95.08604	20.9
97.02889	5.2
97.06525	1.9
97.10171	21.2
103.03902	1.4
105.07054	1.6
107.04943	1.9
107.08616	8.2
109.10161	29.9
111.08021	1.4
111.11703	1.0
119.08573	3.8
121.10136	2.8
123.04440	0.8
123.11694	2.5
125.09628	17.5
133.10104	1.3
135.11690	1.8
137.09616	1.4
137.13237	1.2
143.10698	3.1
145.10139	2.2
153.12788	1.9
155.10670	2.6
163.06055	1.7
163.11151	4.6
173.11742	7.9
181.12305	1.5
191.10739	2.0
199.13315	12.7
202.80885	0.8
209.11716	3.1
217.14355	1.2
221.54198	0.8
227.12798	13.7
229.14362	42.5
239.23714	4.3
257.24811	1.9
265.14365	1.4
267.15894	3.4
283.15369	5.7
301.16467	36.4
313.27377	100.0
319.17532	3.0
327.29300	1.0
341.26801	2.2
437.36292	6.4
455.37418	18.7
467.37387	28.0
505.38718	1.4
520.40057	1.0
521.38831	2.4
539.31750	1.2
539.39471	23.5
557.40399	9.0
575.35834	1.0
701.44122	3.2
787.54004	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05175	0.6
67.05510	9.8
68.47341	0.3
69.03416	1.5
69.07075	5.0
69.70337	1.7
71.05000	1.0
71.08637	16.2
73.02918	1.6
79.05498	6.3
81.03421	48.8
81.07060	13.0
83.04991	1.8
83.08621	15.8
85.02908	4.3
85.06546	0.6
85.09715	0.7
85.10191	10.1
89.06039	1.0
91.03957	2.9
91.05484	8.7
93.07050	4.7
95.04974	14.2
95.05563	0.8
95.08612	14.0
97.02897	3.6
97.06553	1.2
97.10173	4.7
98.21492	0.5
99.04491	0.6
99.08099	0.5
99.11718	0.5
103.07585	0.6
105.07027	6.3
107.04961	3.1
107.08601	2.5
109.02879	0.6
109.06519	2.2
109.10160	7.3
111.04443	1.2
111.08069	4.3
111.11723	0.9
115.05482	0.5
117.07026	1.0
119.04923	0.9
119.08582	7.3
121.06545	1.7
121.10149	3.0
123.04466	1.8
123.08094	0.9
123.11694	2.7
125.09640	0.6
127.03909	1.1
129.07007	4.2
131.08565	5.3
133.06471	2.0
133.10147	2.7
135.08066	0.5
135.11755	0.5
137.05981	0.6
137.09625	0.9
137.13278	1.1
142.07797	1.1
145.04924	1.7
145.10159	0.9
147.08092	2.1
147.11699	4.5
149.09637	2.9
149.13351	0.5
156.29193	0.4
157.10135	7.0
161.13301	0.3
163.06064	3.0
163.11203	1.4
165.12787	1.5
175.11188	6.7
175.12532	0.6
189.05470	0.5
193.12256	22.5
205.12213	0.5
211.13335	1.6
221.22630	0.4
223.13322	0.5
231.13962	0.4
235.13324	1.6
237.14871	0.5
239.23691	2.2
249.14857	1.6
257.24780	2.0
259.13290	1.8
267.15927	100.0
268.16278	1.1
273.14948	1.0
301.14249	1.8
309.16922	3.2
313.27377	99.2
314.27777	1.4
319.15363	0.6
333.17255	0.6
375.18051	0.6
505.38910	85.5
506.39322	1.3
523.39996	3.7
547.39978	6.9
565.40741	1.1
571.39423	0.5
589.41144	1.1
601.41174	2.8
613.40820	1.6
631.41888	2.3
649.43005	1.8
725.98071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02493	0.6
65.03947	2.3
66.04721	0.6
67.05509	75.6
68.05837	0.7
69.03439	3.3
69.07074	10.3
69.53848	3.5
71.04997	16.9
71.31693	0.5
73.02924	3.1
79.05499	28.6
81.03429	3.7
81.07061	37.5
83.04994	3.9
83.08617	7.1
85.02911	10.0
85.03376	1.0
85.06548	3.2
91.03973	5.3
91.05023	0.5
91.05486	21.4
93.07051	38.5
94.07376	0.8
95.04984	3.5
95.08612	27.7
96.04477	0.8
97.02896	7.1
97.06548	3.6
97.10181	3.1
98.21541	1.2
99.04453	1.4
99.08101	1.6
105.04546	0.9
105.07036	9.4
107.04996	0.5
107.08601	18.3
107.54450	0.6
109.06531	1.4
109.10162	56.4
111.08105	2.9
116.78406	0.5
117.06995	4.4
119.08588	16.4
119.29859	0.5
121.06538	0.6
121.10147	14.5
123.08138	0.8
123.11737	1.8
123.87202	0.6
125.09636	1.0
127.03933	2.5
129.05544	0.7
129.07039	0.8
131.08580	6.1
133.10139	6.5
135.11690	15.5
137.09636	7.0
139.11220	1.0
143.08557	1.0
145.04991	2.2
145.10112	7.2
147.11700	4.9
149.13274	2.9
151.11299	0.6
153.12701	0.5
155.10699	2.9
157.10158	0.9
159.11710	3.1
161.13295	2.4
163.06067	2.8
163.11230	2.7
163.14832	1.3
165.12817	1.3
169.12320	1.3
171.11766	0.9
173.11777	7.4
173.13275	2.3
175.14864	1.2
181.12305	1.5
185.13348	1.1
187.13370	0.9
187.14899	1.6
193.12343	0.6
195.84218	0.5
197.13330	1.0
207.08690	0.6
213.14857	1.4
229.14441	1.4
243.16048	1.6
243.21088	1.6
255.16006	4.6
259.20572	0.8
261.22147	2.8
273.64267	0.6
287.18521	15.0
335.25818	23.0
336.26245	0.8
337.27344	0.9
397.31039	1.2
423.32675	1.4
431.22607	0.9
441.33902	0.7
471.34839	2.0
489.35779	86.5
490.36191	2.0
497.36530	1.3
503.37259	2.0
515.29523	1.0
515.37311	21.3
529.38965	1.1
533.38147	1.9
547.39972	100.0
548.40338	2.2
691.43500	2.0
906.50897	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	906.542
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	1.8
67.05511	82.2
69.03416	4.0
69.07074	12.0
71.04998	20.7
71.55177	1.3
73.02914	2.8
77.03909	1.0
78.41927	1.0
79.05501	34.5
81.03409	3.6
81.07065	38.5
83.04993	5.4
83.08618	8.8
84.42289	0.9
85.02910	14.0
85.06549	3.7
91.03961	8.1
91.04965	1.7
91.05489	22.8
93.07052	40.0
95.04984	3.2
95.08612	31.9
97.02909	6.8
97.06544	5.0
97.10172	1.7
99.04424	1.3
105.07028	12.7
107.08598	20.8
109.06541	1.7
109.10166	61.1
111.08096	3.8
117.07015	5.7
119.08585	19.4
121.10149	18.2
123.08073	1.5
123.11739	2.2
127.03918	3.1
131.08562	9.7
133.10127	8.4
135.11702	15.8
137.09633	12.0
139.11159	1.7
143.08470	1.4
145.04955	3.9
145.10132	10.9
147.11700	7.9
149.13260	3.5
155.08562	1.3
155.10712	3.0
157.10159	1.2
159.11685	5.8
161.13237	3.5
163.06091	5.0
163.11171	3.9
163.14900	1.2
169.10165	1.0
169.12149	1.3
171.11508	1.1
173.11742	7.2
173.13274	3.0
175.14877	1.6
181.12189	2.5
183.11725	1.7
185.13287	1.5
187.13231	1.3
187.14867	2.0
213.14836	3.2
229.14415	1.9
239.16335	1.5
243.15892	2.7
255.15941	5.4
261.22162	4.1
262.46341	1.1
267.15976	2.1
287.15521	2.1
287.18527	28.1
335.25851	21.5
337.27338	1.4
379.30072	1.3
397.30627	1.5
423.32602	3.7
471.34949	5.0
489.35779	90.7
497.36050	4.5
503.37164	3.9
515.37274	35.0
529.37982	1.8
533.38208	2.8
547.39996	100.0
548.40057	2.7
572.59784	1.1
691.44446	1.7
906.51172	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	904.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03910	2.1
67.05507	36.4
69.03429	3.4
69.07065	8.9
69.07420	1.1
71.04996	2.8
73.02905	2.3
74.02856	0.4
77.03906	0.5
79.05493	28.6
79.05951	0.9
81.03418	33.6
81.07056	38.4
82.81404	0.5
83.04982	9.4
83.08621	13.4
85.02906	20.0
85.06513	1.3
87.04458	0.7
91.03951	5.4
91.05479	26.8
93.07048	30.1
95.04970	14.4
95.08607	25.5
95.77263	0.4
96.04400	0.5
97.02900	5.3
97.06532	3.1
97.10169	2.8
98.20729	1.2
99.04442	0.9
99.08079	1.0
101.32661	0.5
105.04479	1.0
105.07036	17.8
107.04961	3.8
107.08600	16.4
108.73106	0.5
109.06529	4.1
109.09474	0.7
109.10157	10.8
111.04403	1.9
111.08099	4.7
113.05978	1.6
115.03891	0.6
115.05434	0.8
117.06999	3.8
119.08582	16.9
121.06506	0.7
121.10140	15.9
123.08092	2.4
123.11709	4.3
125.09592	1.6
127.03862	1.8
129.07016	6.9
131.08563	10.8
133.06482	1.3
133.10129	11.6
135.11685	6.3
137.09601	1.1
137.13216	0.8
139.11127	0.5
142.07761	1.6
143.08548	0.8
145.04922	2.6
145.10124	4.9
147.08022	1.5
147.11696	10.1
149.09637	4.0
149.13274	4.0
151.11130	1.0
155.08575	0.6
157.10127	8.3
159.11702	3.0
161.13266	2.4
163.05994	2.5
163.11156	0.6
163.14781	1.9
165.12738	2.5
169.10222	0.8
171.11641	1.2
173.13257	2.5
175.11191	8.8
175.14716	1.1
177.12790	0.5
179.14209	0.6
185.13332	0.8
187.11067	0.5
187.14796	1.5
189.11209	1.1
193.12247	20.9
201.16324	0.7
211.13284	30.1
227.12601	0.7
229.14331	0.9
243.21115	2.3
249.14822	0.8
261.22137	8.0
267.15872	10.0
268.28345	0.5
273.29053	0.5
274.99838	0.6
279.23206	0.6
285.16962	42.0
291.19543	0.6
300.15927	3.1
301.25281	0.5
317.24768	1.9
335.25806	61.1
336.26019	0.9
345.78275	0.4
435.32532	1.8
453.33627	1.1
471.34985	0.9
509.36758	0.7
527.37366	13.7
541.00415	0.5
545.38379	100.0
546.38660	1.7
561.99023	0.5
563.39642	1.0
652.41925	0.8
689.42383	1.0
814.46790	1.1
927.18207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.6
67.05506	42.0
69.03430	3.9
69.07069	10.2
71.05003	3.6
71.08619	0.5
73.02929	3.7
77.03889	0.6
79.05494	34.9
80.05848	0.5
81.03419	42.7
81.07056	43.1
83.04979	9.8
83.08620	17.8
83.09117	0.8
85.02904	27.2
85.06535	2.2
91.03957	7.1
91.05482	30.6
93.07043	35.1
95.04970	19.7
95.08607	27.9
96.04452	0.6
97.02889	8.4
97.06522	3.5
97.10156	4.3
99.04497	0.7
99.08114	1.3
99.75344	0.5
105.04506	0.8
105.07030	21.8
107.04953	4.6
107.08596	16.5
109.02885	0.7
109.06511	3.8
109.10157	11.4
111.04470	1.5
111.08089	7.4
113.06019	1.6
115.05439	1.1
117.07030	5.1
119.06178	0.5
119.08583	19.8
121.06510	1.6
121.10149	15.8
123.08086	2.2
123.11712	3.8
125.09633	1.7
127.03957	2.5
127.07550	0.5
128.06235	0.6
129.07008	7.6
131.08574	14.3
133.06502	2.1
133.10129	12.4
135.08078	1.5
135.11690	6.8
137.09596	1.6
137.13277	0.8
142.07785	2.1
143.08617	0.8
145.04985	2.2
145.10124	5.9
147.08060	3.2
147.10515	0.7
147.11682	13.5
149.09622	5.1
149.13306	3.8
157.10132	11.8
157.11299	1.0
159.11697	3.7
161.13277	2.7
163.06052	3.0
163.11157	0.8
163.14835	2.1
165.12794	2.2
171.11697	1.1
173.13264	2.9
175.11166	10.1
175.14825	1.0
183.11754	0.7
185.13297	0.9
187.14801	1.2
188.07077	0.7
193.12248	30.0
199.14873	0.9
211.13290	48.7
227.12737	1.2
229.14366	0.8
233.33476	0.5
243.21025	2.9
243.40904	0.5
261.22144	8.2
261.24753	0.5
267.15900	14.9
285.16962	62.6
286.17435	0.8
300.15939	4.4
301.25177	1.2
303.23145	0.6
313.97189	0.5
317.24918	3.2
333.24164	0.6
335.25803	56.3
336.26218	1.3
416.55872	0.5
435.32620	2.1
453.33850	2.9
470.86612	0.6
471.34747	1.8
509.36456	0.9
527.37311	16.1
531.11627	0.5
545.38379	100.0
546.38721	1.6
563.39545	1.4
569.38092	0.8
615.71844	0.6
635.38379	0.8
652.42505	1.3
689.41882	0.7
814.47260	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03858	0.9
67.05397	8.6
67.05798	1.5
69.03315	2.6
69.06954	2.6
70.06482	1.8
71.04871	2.7
71.55362	0.7
73.02830	0.6
77.03824	0.5
79.05371	11.6
79.05885	1.8
81.03298	26.9
81.06933	10.5
81.07452	1.4
83.04864	3.4
83.08494	8.9
83.09039	1.1
84.08064	0.5
85.02782	3.3
85.06464	1.2
91.03880	0.8
91.05352	9.1
91.05973	0.8
93.06916	9.9
93.07551	0.9
93.09177	0.4
95.01169	0.4
95.04840	13.7
95.05510	1.6
95.08471	5.4
97.02753	2.1
97.06411	2.0
97.10040	7.8
97.10704	0.7
99.04388	0.5
103.05378	0.9
105.06892	6.6
107.04819	8.9
107.08456	7.4
109.02789	0.6
109.06381	9.5
109.07179	0.8
109.10018	3.7
111.04361	1.1
111.05112	0.5
111.07945	3.3
112.07497	0.9
115.05339	0.9
117.06886	3.3
119.04889	0.5
119.08443	6.4
119.09364	1.0
121.06359	6.4
121.10002	6.9
123.04308	1.4
123.08067	2.9
123.11599	0.6
125.05938	0.5
125.09633	9.3
125.10467	0.5
127.03835	0.8
129.07008	4.2
131.04768	2.0
131.05653	0.6
131.08569	7.5
133.06467	2.8
133.10143	3.4
135.04324	0.5
135.08064	4.5
135.11604	1.0
137.05894	0.9
137.09500	0.8
139.11040	1.8
141.06870	1.1
142.07683	1.1
143.08411	1.6
145.06502	3.4
145.10115	2.8
147.04291	0.8
147.08092	2.9
147.11678	3.9
149.09621	3.4
151.07422	0.8
153.08942	2.1
155.08369	1.4
157.06349	1.4
157.10129	5.2
159.07970	1.3
159.11534	1.8
161.05872	0.8
161.09570	0.9
163.05905	1.4
163.11218	2.9
165.12732	1.0
167.10555	0.9
169.09944	0.8
171.07904	1.5
171.10141	0.6
171.11530	1.6
173.09480	1.2
173.11761	0.6
173.13127	2.1
175.11183	4.3
177.12642	1.3
181.09952	1.1
183.07990	0.9
183.11540	0.6
185.09628	0.6
185.11584	0.7
185.13141	0.8
187.11050	1.1
187.14758	0.8
189.09543	0.4
189.11079	4.0
189.12607	1.0
191.10545	0.8
191.14296	2.8
193.12253	14.3
195.11568	1.6
197.09558	0.9
197.13205	1.1
199.11177	0.8
199.12924	0.5
201.12668	1.2
205.12125	1.3
211.13150	0.9
213.12630	1.5
215.14166	2.1
217.12213	1.1
219.13795	7.5
221.15222	0.6
223.11134	0.8
223.13179	1.3
225.12674	0.8
227.12598	1.9
229.14212	0.6
231.13647	1.1
233.15237	1.9
235.13145	1.0
237.12636	1.1
237.14793	0.8
245.15425	0.7
249.14870	1.2
255.13716	1.3
257.15085	0.5
259.12970	1.1
259.13638	0.9
259.15533	4.3
267.15921	42.1
268.16382	2.0
273.14761	4.6
275.16367	1.0
289.18036	0.5
291.15891	0.6
293.17511	3.7
299.16272	0.7
309.16879	0.8
323.37216	0.5
339.23199	1.4
349.21637	3.0
357.24243	1.3
367.22705	7.8
385.18781	0.7
385.23718	14.0
403.24908	4.4
405.24039	0.5
433.25867	1.4
441.26343	9.2
451.26941	7.0
459.27432	92.1
460.27786	1.7
461.28857	1.1
477.28500	100.0
478.28882	2.2
491.30127	8.5
495.29529	9.9
501.28586	5.5
509.31369	3.4
513.28540	1.5
519.29474	1.4
525.28735	0.6
531.29486	1.8
543.29584	2.1
555.29150	1.0
567.29468	5.6
585.30066	3.3
603.31860	1.9
621.32111	0.9
826.46124	0.6
868.46198	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.1
67.05508	45.1
68.05827	1.2
69.03413	5.5
69.07061	13.5
71.01338	1.2
71.04993	6.6
71.08634	18.3
71.55314	1.7
72.08962	4.3
73.02902	4.8
79.03634	1.4
79.05492	43.2
81.03419	54.4
81.07059	58.0
82.03739	7.3
83.01334	9.0
83.04967	10.6
83.08619	22.9
84.08954	2.0
85.02907	21.7
85.10188	10.7
86.10503	1.7
90.35867	1.4
91.03960	17.1
91.05482	31.3
91.96407	1.4
93.07043	48.8
95.04980	19.3
95.08608	46.4
95.98274	1.3
96.05321	2.3
96.08920	2.7
97.02887	14.3
97.06523	7.1
97.10168	5.6
97.21789	1.2
99.04453	4.3
99.08061	1.9
103.05511	2.0
105.07032	21.8
106.07355	1.9
107.04958	11.4
107.08598	32.7
109.06544	7.9
109.10158	19.3
110.10498	1.7
111.04444	4.5
111.08069	6.0
115.03905	2.1
117.07015	10.1
119.08576	18.2
120.08923	1.9
121.06489	4.1
121.10139	22.6
123.04427	2.8
123.08061	9.6
123.11694	6.6
125.09623	4.7
127.03925	5.4
129.06993	6.7
131.08566	14.5
131.17949	1.5
133.06512	2.1
133.10135	9.4
135.08089	4.2
135.11690	18.6
136.06192	18.0
137.09625	4.0
143.08592	1.8
145.04979	6.7
145.10120	20.4
147.08165	1.8
147.11694	7.9
149.09608	4.3
149.13266	6.8
151.62996	1.7
153.12691	3.0
157.10107	6.6
158.10500	1.8
159.11687	5.3
161.13260	3.8
163.06062	7.9
163.11203	22.7
169.58278	1.7
173.09616	2.6
173.13278	3.5
175.11220	4.6
175.14832	1.7
181.12239	4.4
185.13264	1.6
187.14870	2.9
189.11145	2.3
189.16174	1.8
191.10698	3.1
193.12256	14.8
194.12590	5.8
205.12611	1.5
209.11728	8.4
211.13350	3.1
227.12733	15.2
243.21111	4.2
259.20630	1.9
261.22195	11.8
267.15921	50.3
268.16251	33.3
269.16489	10.9
283.15396	100.0
285.17017	2.2
299.23755	4.0
305.87564	1.3
309.16791	1.7
313.27383	43.1
314.27695	37.4
315.27972	14.5
317.24817	4.1
333.24161	2.8
335.25809	67.2
433.30762	2.5
451.31824	4.8
469.33194	3.2
492.29544	1.8
503.41022	1.5
505.38898	20.6
506.39215	26.5
507.39627	32.7
525.35736	6.3
541.98199	1.4
543.36841	71.2
544.37024	2.4
547.39606	1.5
548.40082	2.0
549.40491	3.3
561.37750	8.4
633.42914	1.6
676.46338	5.4
787.61462	1.5
902.46954	1.8
903.48065	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	1.7
67.05512	34.9
69.03388	1.7
69.07076	10.0
71.04993	2.6
73.02895	1.7
77.03922	0.6
79.05500	30.8
81.03432	3.1
81.07066	39.2
83.04985	3.3
83.08627	9.1
85.02904	3.7
85.06532	0.8
89.16475	0.4
91.03922	1.4
91.05486	14.6
93.03382	0.5
93.07054	42.9
95.04976	6.1
95.08615	47.1
97.02378	0.5
97.02905	5.4
97.06535	3.1
97.10138	1.9
99.04450	3.1
99.08041	0.9
103.05408	0.7
105.04497	0.8
105.06400	0.8
105.07042	10.7
107.04973	6.1
107.08605	30.1
109.06528	2.4
109.09478	0.8
109.10166	11.8
111.04414	1.5
111.08078	1.1
113.05968	0.6
115.05447	0.5
117.07033	8.4
119.07816	0.9
119.08590	12.1
121.06526	4.8
121.10152	20.7
123.08038	1.1
123.11742	2.7
125.05976	1.8
127.03874	0.7
129.06976	0.8
130.07750	1.1
131.08580	5.2
133.10152	6.4
135.08051	1.7
135.11707	43.6
136.06180	0.6
137.09595	0.8
137.13193	0.8
139.07535	1.2
141.66342	0.4
143.08554	0.7
145.04948	0.8
145.10136	23.7
147.07990	0.6
147.11746	2.2
149.09685	0.5
149.13277	3.5
153.12727	1.2
155.08621	0.5
159.11731	3.0
161.13261	2.3
163.11195	44.7
163.14754	1.3
170.22121	0.5
173.09633	1.0
173.13272	2.7
175.14796	0.9
181.12256	7.7
187.14856	1.0
205.05971	0.5
209.11703	1.2
227.12805	47.0
228.13118	0.7
229.94412	0.7
243.21155	2.3
261.22238	7.4
272.20004	0.5
283.15427	55.5
284.15726	1.1
317.24609	2.2
335.25827	99.9
336.26196	1.5
425.67218	0.5
427.20016	0.8
443.19080	0.6
529.38684	0.6
543.36859	100.0
544.37476	1.9
561.37952	0.7
687.41571	0.8
705.42053	1.0
740.49756	1.0
902.54883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.3
67.05509	35.3
68.05859	0.6
69.03414	1.6
69.07073	9.3
71.05006	2.5
71.08623	0.5
71.55375	0.5
73.02892	1.8
77.03956	0.5
79.05496	34.1
80.54629	0.3
81.03426	3.1
81.07062	40.1
82.07393	0.7
83.04988	3.6
83.08623	9.9
85.02901	4.5
85.06520	1.5
85.28342	0.3
91.03957	2.5
91.05483	14.7
93.03375	0.4
93.07050	45.9
95.01318	0.5
95.04974	6.1
95.08611	47.4
96.08948	0.7
97.02895	4.9
97.06532	4.3
97.10162	1.9
99.04448	4.4
99.08098	0.5
103.05463	1.0
105.04536	0.8
105.07035	12.2
107.04287	0.7
107.04967	7.5
107.08598	32.4
109.02867	0.4
109.06532	2.3
109.10159	10.2
111.04424	1.2
111.08081	1.3
113.06039	0.9
113.67471	0.4
117.07021	9.6
119.08591	14.2
121.06505	5.4
121.10149	18.8
123.08052	1.3
123.11709	2.8
125.05164	0.4
125.05957	2.5
125.09605	0.7
127.03914	0.7
127.07500	0.5
129.06978	0.6
129.51717	0.4
130.07773	1.4
131.04970	0.6
131.08577	5.0
133.10144	6.1
135.08165	2.2
135.11702	48.8
136.06189	0.7
137.09618	0.5
137.13225	0.8
139.07532	1.8
143.08545	1.5
145.04951	0.9
145.10130	27.5
147.11710	2.6
149.09668	0.6
149.13229	2.8
151.11269	0.5
153.12773	0.8
155.08575	0.7
159.11705	2.6
161.13237	2.0
163.11192	58.8
163.14854	1.3
164.11519	0.5
169.10182	0.7
171.11711	0.4
173.09636	1.2
173.13203	2.6
175.14888	0.5
181.12236	7.8
187.14864	1.0
207.13806	0.5
209.11571	2.0
227.12791	64.1
228.13083	0.6
243.21100	2.4
259.20654	0.4
261.22144	8.2
267.15979	0.6
283.15411	100.0
284.15796	1.1
313.27414	0.5
317.24896	2.4
334.13748	0.5
335.25815	85.9
336.26166	2.6
425.17657	0.7
427.19501	1.5
529.38641	1.5
543.36841	99.9
544.37085	1.8
561.37781	1.6
687.40509	1.5
705.41473	1.7
902.53979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03967	0.3
67.05486	0.3
69.03417	0.5
70.06586	0.4
71.04971	0.2
71.14967	0.2
73.02838	0.2
79.05495	0.4
81.03401	0.6
81.07065	0.2
85.02888	1.0
86.09691	0.3
89.03903	0.7
91.05442	0.3
93.07037	0.8
94.06552	1.2
95.04969	0.3
95.07349	0.6
96.08129	1.7
97.02900	0.5
98.21445	0.5
103.05427	0.2
108.08122	1.7
109.02866	0.3
110.09671	3.2
116.04985	2.0
118.06561	0.2
120.08104	2.4
122.06038	4.2
124.07558	1.0
134.06015	0.4
136.07573	3.9
138.05518	0.9
138.09134	4.7
139.06209	0.3
140.07036	0.2
144.04443	5.6
146.06004	1.2
148.07581	1.6
150.05498	1.3
150.09143	0.4
152.07060	9.8
154.08627	1.0
158.09622	0.2
160.07562	0.2
162.05513	2.7
164.07039	0.4
165.07864	8.1
166.08633	11.1
167.05754	0.3
167.09389	0.6
172.03931	47.2
173.04303	0.3
174.05484	0.4
182.08131	10.7
184.07651	0.3
184.09708	0.8
190.04990	4.9
192.06584	0.3
193.07394	0.6
194.08105	1.4
200.09174	5.6
200.10980	0.4
204.06557	89.3
205.06931	0.8
211.08377	2.2
212.09241	0.7
222.07578	0.5
226.10732	100.0
227.11121	1.2
229.09802	0.8
230.10591	0.6
239.08202	0.4
241.09720	0.3
243.11208	0.4
251.11949	0.4
253.09714	0.3
255.11342	0.4
257.09189	0.4
257.12848	0.7
259.10782	0.9
264.08771	0.2
269.09329	0.3
271.10776	0.6
272.11432	0.4
273.12344	0.9
275.10397	0.2
279.11331	0.3
281.09363	0.3
283.10693	0.3
287.09961	0.3
289.11838	0.8
295.10388	0.3
297.12439	0.4
300.10992	0.7
301.11789	0.9
311.10281	0.3
313.11832	0.5
315.13181	1.1
316.08307	0.3
319.13016	0.6
325.11725	1.8
329.14990	1.1
333.14432	10.2
334.09232	0.9
339.10052	0.3
339.13370	1.2
341.11304	0.6
343.13092	0.7
345.14679	0.2
351.15555	4.6
351.30838	0.2
357.14435	38.6
358.14801	0.9
365.17563	0.2
366.11700	0.3
367.13123	0.3
371.12387	0.4
373.13953	1.4
383.18152	1.0
401.36154	0.2
469.16904	0.3
487.17023	1.8
495.61935	0.2
501.18494	0.9
508.20676	0.7
519.19769	3.5
520.19733	0.3
533.17706	0.4
535.19037	0.6
540.23236	0.3
575.51898	0.2
670.25903	1.6
676.66693	0.2
682.25787	0.4
689.24744	0.3
696.25031	0.3
702.28632	0.6
707.26135	0.4
712.35712	0.3
721.26794	0.5
744.29077	0.7
843.53809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	0.6
67.05504	12.6
69.03430	1.5
69.07070	5.8
71.01342	0.5
71.04984	1.4
71.08633	17.0
73.02916	1.2
77.03898	0.4
79.05496	6.8
81.03419	47.9
81.06579	0.6
81.07059	14.7
83.04984	2.7
83.08619	17.1
85.02907	5.4
85.06557	0.7
85.10184	9.4
89.06018	0.9
91.03954	4.0
91.05485	8.8
91.05914	0.2
93.07043	4.6
95.04359	0.7
95.04974	14.7
95.08608	14.3
97.02901	3.7
97.06533	1.2
97.10176	4.4
99.04440	0.5
99.08110	0.5
99.11729	0.8
103.07579	0.8
105.07030	6.3
107.04949	3.9
107.08600	2.3
109.02904	0.5
109.06501	1.9
109.10159	7.1
111.04445	1.5
111.08078	4.3
111.11736	1.0
115.05470	0.6
117.06999	0.9
119.04910	0.5
119.08584	6.6
121.06494	2.1
121.10150	3.9
123.04462	1.0
123.08073	1.1
123.11713	2.7
125.09549	0.6
126.09168	0.7
127.03921	1.8
127.36954	0.4
128.06213	0.3
129.07014	5.2
131.04900	0.4
131.08566	4.9
133.06474	1.9
133.10161	2.7
135.07950	0.4
135.11684	1.1
137.06094	0.4
137.09644	1.0
137.13284	0.7
139.11084	0.4
142.07802	1.1
143.08548	0.6
145.04961	2.0
145.06430	0.3
145.10126	1.1
147.04367	0.7
147.08075	2.1
147.11694	5.4
149.09641	3.1
157.10126	6.1
161.06006	0.5
163.06012	3.4
163.11151	1.9
165.12761	0.8
172.56915	0.3
173.09517	0.5
175.11189	6.3
175.12540	0.5
177.12715	0.3
193.12247	22.1
198.11285	1.5
205.12245	0.6
211.13350	1.1
216.10410	0.5
216.12338	5.9
221.22728	0.5
235.13362	1.2
239.23703	1.9
249.14838	1.7
257.24710	2.2
259.13287	1.7
267.15912	100.0
268.16260	0.8
270.94400	0.4
273.14911	0.8
283.15594	0.4
284.15604	0.4
285.16934	0.7
301.13885	1.9
309.16946	3.2
313.27362	96.0
314.27625	1.6
319.15408	0.6
333.16849	1.0
375.17993	0.5
393.19232	0.5
396.72430	0.4
505.38889	81.0
506.39224	1.4
523.39966	3.9
547.39935	6.0
565.41058	1.0
571.39709	0.4
589.41107	0.8
601.41107	3.7
613.41168	2.0
631.41949	2.1
649.42822	1.7
667.43927	0.4
789.67548	0.4
798.90759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	4.2
67.05510	100.0
69.03432	10.8
69.06721	2.1
69.07073	28.5
70.56721	4.6
71.01349	2.0
71.04986	8.1
73.02894	3.4
73.23893	1.2
79.05499	54.0
81.03419	21.6
81.07063	63.7
83.04993	14.0
83.08632	17.8
85.02914	13.7
85.06542	5.3
87.04452	2.9
91.05481	41.0
93.06475	2.7
93.07047	44.1
95.04964	12.4
95.08611	34.4
97.02887	5.3
97.06541	16.2
97.10170	22.5
99.04485	2.2
99.08108	2.4
103.03907	2.3
103.05489	1.4
105.07036	31.8
107.04951	9.7
107.08597	36.9
109.02870	3.6
109.06489	8.0
109.10162	58.2
111.04470	3.4
111.08081	6.2
113.06053	1.7
115.05460	1.5
117.07021	12.3
119.07800	1.9
119.08591	26.3
121.06535	3.7
121.10153	13.1
122.02695	1.3
123.08038	5.1
123.11692	2.4
125.09644	19.6
127.03916	2.4
128.06213	1.7
129.05481	4.2
129.06998	6.6
131.08580	17.0
133.10130	21.2
135.08058	3.2
135.11696	12.7
137.09630	6.9
139.11128	1.8
141.06985	1.7
143.08578	4.2
143.10643	1.8
145.10149	17.7
146.08157	2.7
147.08022	3.6
147.11696	10.9
149.09634	13.2
149.13263	8.2
151.11122	2.9
153.09157	1.6
153.12761	3.1
155.08559	2.9
155.10674	3.6
157.10139	3.1
159.11705	12.2
161.09671	2.6
161.13239	4.1
163.11186	13.1
169.10167	2.8
171.11688	3.2
173.04512	2.1
173.09604	3.5
173.11731	14.5
173.13284	4.5
175.11243	1.8
177.12738	4.4
179.14314	3.7
181.12207	2.8
183.11681	3.1
189.11253	8.5
189.12711	2.2
191.10663	2.8
193.12234	3.7
195.13806	3.1
199.13264	4.9
201.12631	1.3
209.11678	5.9
211.12991	1.2
217.14336	1.7
227.12744	26.0
229.14348	51.9
229.19446	3.0
239.17923	4.0
247.20665	1.6
248.75491	1.3
253.14319	2.6
255.15924	8.5
257.19016	10.6
267.15811	7.2
269.17493	22.3
275.20038	35.5
279.15836	1.7
283.15369	4.1
291.19617	2.0
293.21231	2.5
301.16489	10.4
321.24185	2.0
331.22675	2.6
349.23770	29.0
367.24625	4.0
393.26257	1.8
399.23737	18.8
407.27954	1.8
409.25717	8.2
411.27084	2.6
423.27408	20.8
445.63293	1.4
473.32623	1.6
481.27884	1.9
491.33148	1.7
495.29318	4.4
503.33701	15.5
504.33920	1.6
521.34808	2.4
527.35291	1.5
529.38464	1.4
575.35498	2.8
579.35547	3.1
593.28113	2.5
593.36841	25.6
673.43115	15.1
691.43524	3.3
888.49237	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	888.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03904	2.2
66.04696	0.7
66.73534	0.6
67.05507	51.2
68.05820	0.8
69.03403	2.7
69.07069	15.5
71.05009	3.6
71.08609	1.2
73.02888	2.9
79.05495	31.7
81.03388	2.7
81.07058	61.8
83.04990	4.8
83.08628	10.9
83.54628	0.6
85.02907	9.4
85.06546	3.7
91.03954	5.4
91.05479	17.2
91.67051	0.7
93.07046	50.5
93.68214	0.7
95.04990	4.7
95.08607	30.8
97.02899	4.9
97.06541	9.3
97.10146	1.8
99.04427	1.0
99.08048	2.4
105.04489	0.9
105.07030	11.7
107.08598	30.0
109.06479	2.1
109.10155	11.5
111.08059	4.0
113.09615	1.5
117.07031	7.0
119.08583	7.4
121.06458	1.7
121.10148	21.2
123.08109	0.8
123.11716	3.2
125.09579	1.2
127.03870	2.5
129.06996	0.8
129.97571	0.6
131.08575	10.3
133.10136	9.1
135.08015	1.2
135.11681	12.3
136.07529	0.6
137.13211	0.9
139.11148	1.4
145.04948	2.2
145.10143	4.7
146.08006	0.7
147.11673	4.0
149.09578	1.4
149.13263	24.7
151.11153	1.7
153.50529	0.6
157.10091	1.0
159.11696	9.7
161.13246	2.4
163.05997	2.4
163.14772	1.8
167.14351	0.8
173.13281	2.3
175.14760	1.2
177.12781	4.5
187.14882	0.7
189.16454	0.6
195.13812	6.6
201.16333	0.9
214.24675	0.6
229.14349	2.2
240.21359	0.8
243.21066	2.1
253.14317	0.9
261.22150	9.4
267.15945	1.7
269.17484	90.2
270.17831	1.1
291.19513	1.4
301.16287	0.7
317.25082	1.3
335.25803	48.9
335.89703	0.7
336.25980	1.0
336.65588	0.7
365.23306	0.8
437.34225	1.1
455.35214	1.2
489.36267	0.9
511.37766	1.3
529.38898	100.0
530.39069	3.2
547.40002	2.9
612.39954	0.8
626.07050	0.8
888.49890	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	888.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	0.7
67.05495	2.0
67.15179	0.4
69.03425	1.8
69.07081	0.5
69.21313	1.9
69.21737	2.3
70.06586	1.1
71.04990	0.5
73.02914	1.0
74.00666	2.7
77.03938	1.2
79.05501	3.2
81.03419	3.0
81.07057	1.7
83.04986	1.2
85.02917	1.3
85.45956	0.5
86.00659	1.0
86.06086	0.4
87.02688	1.0
88.03986	0.8
89.00628	3.8
91.05480	6.2
93.07039	3.6
95.04976	6.6
95.08593	1.6
96.91741	0.4
97.06538	0.6
98.21559	0.7
102.04713	0.6
103.05476	49.1
104.47057	0.5
105.03435	0.5
105.04534	1.3
105.07045	5.1
105.13187	0.4
107.04951	1.3
107.08586	1.6
109.06532	1.6
109.10218	0.6
111.04450	1.5
111.08102	0.4
114.03750	1.8
115.02161	5.7
115.05453	2.6
116.06230	0.6
117.00075	5.2
117.07024	2.8
119.04955	1.3
119.08604	2.6
120.01184	2.5
120.99593	1.4
121.06524	2.7
121.10158	0.8
123.04418	1.2
125.05973	0.9
128.06229	2.5
129.07011	2.7
130.06573	0.6
130.07771	0.5
131.04938	100.0
131.08568	6.2
132.01155	1.1
132.04767	0.5
133.03192	1.9
133.06497	3.4
133.10136	1.2
135.01123	7.0
135.04439	0.5
135.08060	1.1
137.06007	0.7
139.03931	1.2
141.05495	0.6
141.06999	2.7
142.07777	3.4
143.08577	4.4
144.05698	0.6
144.08060	0.6
145.06516	3.4
145.10149	1.1
147.04424	0.7
147.07990	2.3
148.07593	0.5
149.06010	2.4
149.09648	0.8
151.07571	0.8
152.06302	0.5
153.05501	2.5
153.07040	1.2
154.07796	1.2
155.08571	2.6
156.08157	0.8
156.09355	2.9
157.06522	1.4
157.10107	2.4
158.07312	1.2
159.08057	5.0
159.11687	1.0
160.04289	4.6
161.02721	2.1
161.06003	3.1
161.09636	1.4
163.04041	0.8
163.07565	1.7
165.05716	0.5
165.06938	2.1
166.07721	0.8
167.07135	0.7
167.08553	1.9
168.09427	1.4
169.06485	2.3
169.10138	3.4
170.10957	0.7
171.08076	2.7
171.11642	2.8
172.07584	1.1
172.08940	0.9
173.05974	0.6
173.09656	1.8
175.07587	1.6
177.05507	1.5
177.09114	1.2
178.05318	3.5
178.07773	1.0
179.05608	0.5
179.07080	1.1
179.08582	1.4
180.09323	1.0
181.04968	0.8
181.06500	0.7
181.10127	2.3
182.11084	0.5
183.08046	2.3
183.11710	1.8
184.08858	1.5
185.06013	0.5
185.09619	3.0
185.13402	0.5
187.07539	3.4
187.11223	1.4
188.03807	1.3
189.05464	0.5
189.09189	0.9
190.07713	0.6
192.09335	1.0
193.10143	1.7
193.12090	0.4
194.10948	0.6
195.06557	1.2
195.08055	1.0
195.11694	1.3
196.08904	0.8
197.05861	0.6
197.09647	4.5
197.13277	0.7
198.10327	1.2
199.07614	1.6
199.11171	6.7
201.09131	1.1
201.12712	0.6
203.07124	1.1
204.09268	0.6
205.08560	1.1
205.10233	1.1
206.04774	0.5
206.10912	0.6
207.03229	8.8
207.05006	0.7
207.08112	0.9
207.11746	1.4
208.08818	1.0
208.12617	0.5
209.09596	2.3
209.13252	0.7
210.10403	0.5
211.07593	1.0
211.11272	1.1
213.09186	1.6
213.12784	0.9
215.06934	0.7
215.08826	0.7
215.10770	1.7
217.08505	2.3
217.10440	0.5
218.08171	3.6
218.11055	0.5
219.10048	0.6
221.09665	1.3
221.13258	0.8
223.07550	0.6
223.11238	1.3
224.05899	6.3
225.09131	4.4
225.12706	0.9
227.07104	0.9
227.10741	1.6
229.08644	1.2
229.12228	0.7
231.11894	0.6
232.12505	0.5
233.08002	0.9
234.10533	0.6
235.11313	1.0
237.09125	1.1
237.12766	0.9
239.10768	1.7
241.12337	0.7
243.10092	1.2
244.12686	0.7
245.13306	0.7
247.09366	2.6
247.14751	0.7
249.09222	0.7
250.05347	9.0
251.10660	1.5
253.12323	0.6
255.10156	1.0
255.13940	0.5
257.08163	1.5
257.11777	0.7
259.09579	1.3
259.14923	0.9
261.09003	0.6
261.11224	0.5
263.10754	1.0
265.10779	1.6
267.10172	1.2
273.12695	0.8
274.13577	0.7
277.12363	0.6
277.15671	0.5
279.10211	0.8
281.11862	1.2
285.11282	1.6
285.16483	0.5
286.13541	0.6
287.10416	0.5
287.13531	0.7
291.10229	0.8
296.11987	0.6
301.10608	0.5
302.13309	0.6
303.12573	1.6
307.13525	0.6
308.09412	2.7
309.11566	0.5
311.12875	0.7
313.11850	0.5
315.13831	0.8
317.15308	1.0
325.12448	0.7
327.12354	0.6
329.15125	0.7
333.15067	1.2
341.13864	0.7
343.13193	0.7
345.14636	0.8
347.16248	1.4
354.10031	3.3
355.12988	0.5
357.14874	1.1
359.15833	1.4
371.13074	0.5
373.14474	1.1
375.15994	1.1
377.17303	1.3
385.14304	1.2
389.14218	0.6
391.15118	0.7
401.13870	0.8
403.15570	1.7
413.14050	0.5
419.14929	1.0
421.16635	1.5
431.15182	1.7
433.16473	0.9
437.15881	0.6
439.17621	1.0
445.16461	1.1
449.15915	1.6
451.17667	0.9
463.17621	2.6
467.16968	0.7
470.15524	0.5
481.18762	3.4
499.19604	1.4
508.16736	0.5
618.20111	1.6
641.20361	0.7
686.22357	1.6
704.23047	1.6
712.24805	0.8
722.24939	3.6
730.25092	2.5
740.25739	2.5
806.28766	0.8
834.27618	1.8
852.29248	5.1
870.30078	9.3
888.46204	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12209	0.5
67.05511	3.8
69.03433	2.2
69.07060	0.8
69.18851	5.9
69.24505	0.6
70.06584	2.1
71.04974	0.6
73.02898	1.5
73.30246	0.6
74.00674	2.8
75.63607	0.5
77.03939	1.0
79.05499	6.0
80.31451	0.6
81.03426	5.3
81.07067	3.8
83.04984	1.9
83.08615	1.0
85.02890	1.7
86.00628	0.7
87.02698	1.7
88.04007	0.7
89.00625	3.5
91.05485	5.2
92.78492	0.6
93.07066	3.3
95.04980	11.1
95.06096	0.6
95.08610	1.6
97.02888	0.9
101.00578	0.7
103.05476	49.8
105.04516	1.7
105.06386	0.9
105.07044	11.5
107.04937	1.8
107.08603	2.1
109.06515	2.4
109.10168	1.3
111.04486	0.9
114.03748	3.1
115.02180	6.0
115.05459	4.9
117.00070	4.0
117.07036	3.0
119.04891	1.3
119.08593	2.8
120.01167	2.3
120.99578	2.4
121.06497	2.2
121.10184	1.3
123.04432	2.0
123.08096	1.0
125.06024	0.8
128.06241	2.7
129.07019	3.0
130.06534	0.9
130.07768	0.6
131.04938	100.0
131.08598	3.5
132.01154	1.8
132.04782	0.6
133.03186	2.1
133.06493	10.0
133.10129	0.8
135.01122	5.6
135.04449	1.6
135.08061	2.2
137.05989	1.9
141.06998	2.8
142.03226	0.7
142.07800	3.3
143.01648	0.7
143.08565	6.0
144.08110	0.9
145.06483	2.2
145.10133	2.4
147.04427	0.9
147.08041	1.9
149.05948	1.6
149.09657	0.8
151.07562	1.3
153.05666	0.6
153.06960	1.5
154.07793	1.4
155.08578	3.0
156.08170	0.9
156.09369	4.9
157.06535	1.2
157.10158	4.2
158.07280	1.6
159.04463	1.1
159.08093	3.1
159.11702	1.7
159.60028	0.5
160.04300	8.4
161.02626	2.1
161.05995	16.7
161.07253	1.1
163.07520	3.3
165.07056	2.0
166.07765	1.7
167.07178	0.8
167.08597	1.8
168.09460	0.7
169.06509	2.8
169.10129	5.1
170.07269	1.2
171.08112	4.1
171.11708	5.0
172.07570	1.5
172.08818	0.9
173.05989	1.1
173.09634	2.6
173.13362	0.6
175.07549	1.7
175.11209	1.2
177.05461	1.0
177.09099	1.0
178.05360	4.7
179.07065	1.6
179.08560	2.5
180.09343	0.9
181.06558	0.5
181.10103	2.4
182.07300	1.6
183.08064	3.5
183.11726	1.1
184.08827	5.1
185.06003	1.6
185.09633	4.1
187.07607	3.2
187.11212	2.2
188.03838	2.1
189.09091	1.7
189.12802	0.7
191.07076	0.7
193.10175	1.1
193.12267	1.4
195.08069	2.1
195.11743	0.7
196.08937	0.6
197.05998	1.3
197.09610	6.9
198.06802	0.7
198.10416	1.4
199.07581	4.6
199.11186	17.0
200.08298	1.0
201.09126	1.9
203.10588	0.7
204.06602	0.6
207.03267	6.2
207.06418	1.1
207.08118	1.6
207.10005	0.8
207.11900	0.8
209.09624	1.9
211.07564	2.5
211.11221	1.7
211.13211	1.0
213.05461	0.7
213.09145	5.9
215.07016	1.2
215.10713	3.3
217.08568	1.4
217.12187	1.0
218.08075	4.4
221.09721	1.0
223.07550	1.1
223.11223	1.1
224.05913	4.0
224.34604	0.6
225.05508	1.7
225.09125	12.5
226.09813	0.7
227.07028	2.3
227.10735	2.0
229.08592	1.3
229.12169	0.8
231.10001	1.3
235.11227	1.4
237.09274	0.9
237.12788	0.9
239.10736	1.8
241.08620	6.1
243.06490	1.4
243.10059	4.1
243.13850	0.8
245.08043	0.9
247.11507	0.8
249.09329	0.8
250.05350	13.7
251.10773	1.6
253.08589	1.4
255.10248	1.9
257.08072	18.3
257.11755	1.6
259.09671	12.6
259.13965	0.8
261.11249	1.5
263.10696	0.8
267.10211	2.0
267.16232	1.0
269.08032	1.1
271.09653	1.6
273.11273	1.4
275.09268	1.1
280.06226	0.7
283.09601	1.1
283.15509	0.6
285.11087	2.7
291.10312	0.6
301.10660	8.7
301.15921	0.8
303.12180	3.6
308.09250	3.2
313.12299	1.2
314.13022	0.7
315.13641	1.1
319.11850	2.8
321.13531	1.5
327.13507	0.7
329.15359	1.3
331.13300	0.8
331.16888	0.8
333.14923	0.8
339.13770	0.9
349.72089	0.7
353.10727	0.7
354.10126	4.2
355.13443	0.9
357.14780	1.7
359.16446	1.0
361.14511	0.7
367.13196	0.9
373.14487	0.7
377.17438	0.9
385.14728	1.2
387.14435	0.7
391.15451	0.8
401.13852	1.4
403.15625	1.7
419.14798	1.4
421.16821	0.7
431.14819	1.2
433.16150	1.0
445.16461	1.7
449.15717	0.8
451.17673	1.1
460.27615	0.6
461.12686	0.8
463.17657	4.4
475.26730	2.8
478.29077	0.7
481.18695	3.6
493.27957	0.7
499.19656	1.8
508.16245	1.3
511.29059	1.9
517.20703	0.8
549.22052	0.7
567.22394	0.9
638.20581	1.2
641.20575	1.0
654.19922	2.5
659.21564	1.1
668.21753	1.0
686.22717	0.9
704.23431	2.0
722.24829	4.2
740.25775	9.1
741.27472	0.8
747.24249	1.1
834.28046	1.4
852.28705	4.1
870.29980	46.9
871.29468	1.5
888.46210	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	0.7
67.05495	2.0
67.15179	0.4
69.03425	1.8
69.07081	0.5
69.21313	1.9
69.21737	2.3
70.06586	1.1
71.04990	0.5
73.02914	1.0
74.00666	2.7
77.03938	1.2
79.05501	3.2
81.03419	3.0
81.07057	1.7
83.04986	1.2
85.02917	1.3
85.45956	0.5
86.00659	1.0
86.06086	0.4
87.02688	1.0
88.03986	0.8
89.00628	3.8
91.05480	6.2
93.07039	3.6
95.04976	6.6
95.08593	1.6
96.91741	0.4
97.06538	0.6
98.21559	0.7
102.04713	0.6
103.05476	49.1
104.47057	0.5
105.03435	0.5
105.04534	1.3
105.07045	5.1
105.13187	0.4
107.04951	1.3
107.08586	1.6
109.06532	1.6
109.10218	0.6
111.04450	1.5
111.08102	0.4
114.03750	1.8
115.02161	5.7
115.05453	2.6
116.06230	0.6
117.00075	5.2
117.07024	2.8
119.04955	1.3
119.08604	2.6
120.01184	2.5
120.99593	1.4
121.06524	2.7
121.10158	0.8
123.04418	1.2
125.05973	0.9
128.06229	2.5
129.07011	2.7
130.06573	0.6
130.07771	0.5
131.04938	100.0
131.08568	6.2
132.01155	1.1
132.04767	0.5
133.03192	1.9
133.06497	3.4
133.10136	1.2
135.01123	7.0
135.04439	0.5
135.08060	1.1
137.06007	0.7
139.03931	1.2
141.05495	0.6
141.06999	2.7
142.07777	3.4
143.08577	4.4
144.05698	0.6
144.08060	0.6
145.06516	3.4
145.10149	1.1
147.04424	0.7
147.07990	2.3
148.07593	0.5
149.06010	2.4
149.09648	0.8
151.07571	0.8
152.06302	0.5
153.05501	2.5
153.07040	1.2
154.07796	1.2
155.08571	2.6
156.08157	0.8
156.09355	2.9
157.06522	1.4
157.10107	2.4
158.07312	1.2
159.08057	5.0
159.11687	1.0
160.04289	4.6
161.02721	2.1
161.06003	3.1
161.09636	1.4
163.04041	0.8
163.07565	1.7
165.05716	0.5
165.06938	2.1
166.07721	0.8
167.07135	0.7
167.08553	1.9
168.09427	1.4
169.06485	2.3
169.10138	3.4
170.10957	0.7
171.08076	2.7
171.11642	2.8
172.07584	1.1
172.08940	0.9
173.05974	0.6
173.09656	1.8
175.07587	1.6
177.05507	1.5
177.09114	1.2
178.05318	3.5
178.07773	1.0
179.05608	0.5
179.07080	1.1
179.08582	1.4
180.09323	1.0
181.04968	0.8
181.06500	0.7
181.10127	2.3
182.11084	0.5
183.08046	2.3
183.11710	1.8
184.08858	1.5
185.06013	0.5
185.09619	3.0
185.13402	0.5
187.07539	3.4
187.11223	1.4
188.03807	1.3
189.05464	0.5
189.09189	0.9
190.07713	0.6
192.09335	1.0
193.10143	1.7
193.12090	0.4
194.10948	0.6
195.06557	1.2
195.08055	1.0
195.11694	1.3
196.08904	0.8
197.05861	0.6
197.09647	4.5
197.13277	0.7
198.10327	1.2
199.07614	1.6
199.11171	6.7
201.09131	1.1
201.12712	0.6
203.07124	1.1
204.09268	0.6
205.08560	1.1
205.10233	1.1
206.04774	0.5
206.10912	0.6
207.03229	8.8
207.05006	0.7
207.08112	0.9
207.11746	1.4
208.08818	1.0
208.12617	0.5
209.09596	2.3
209.13252	0.7
210.10403	0.5
211.07593	1.0
211.11272	1.1
213.09186	1.6
213.12784	0.9
215.06934	0.7
215.08826	0.7
215.10770	1.7
217.08505	2.3
217.10440	0.5
218.08171	3.6
218.11055	0.5
219.10048	0.6
221.09665	1.3
221.13258	0.8
223.07550	0.6
223.11238	1.3
224.05899	6.3
225.09131	4.4
225.12706	0.9
227.07104	0.9
227.10741	1.6
229.08644	1.2
229.12228	0.7
231.11894	0.6
232.12505	0.5
233.08002	0.9
234.10533	0.6
235.11313	1.0
237.09125	1.1
237.12766	0.9
239.10768	1.7
241.12337	0.7
243.10092	1.2
244.12686	0.7
245.13306	0.7
247.09366	2.6
247.14751	0.7
249.09222	0.7
250.05347	9.0
251.10660	1.5
253.12323	0.6
255.10156	1.0
255.13940	0.5
257.08163	1.5
257.11777	0.7
259.09579	1.3
259.14923	0.9
261.09003	0.6
261.11224	0.5
263.10754	1.0
265.10779	1.6
267.10172	1.2
273.12695	0.8
274.13577	0.7
277.12363	0.6
277.15671	0.5
279.10211	0.8
281.11862	1.2
285.11282	1.6
285.16483	0.5
286.13541	0.6
287.10416	0.5
287.13531	0.7
291.10229	0.8
296.11987	0.6
301.10608	0.5
302.13309	0.6
303.12573	1.6
307.13525	0.6
308.09412	2.7
309.11566	0.5
311.12875	0.7
313.11850	0.5
315.13831	0.8
317.15308	1.0
325.12448	0.7
327.12354	0.6
329.15125	0.7
333.15067	1.2
341.13864	0.7
343.13193	0.7
345.14636	0.8
347.16248	1.4
354.10031	3.3
355.12988	0.5
357.14874	1.1
359.15833	1.4
371.13074	0.5
373.14474	1.1
375.15994	1.1
377.17303	1.3
385.14304	1.2
389.14218	0.6
391.15118	0.7
401.13870	0.8
403.15570	1.7
413.14050	0.5
419.14929	1.0
421.16635	1.5
431.15182	1.7
433.16473	0.9
437.15881	0.6
439.17621	1.0
445.16461	1.1
449.15915	1.6
451.17667	0.9
463.17621	2.6
467.16968	0.7
470.15524	0.5
481.18762	3.4
499.19604	1.4
508.16736	0.5
618.20111	1.6
641.20361	0.7
686.22357	1.6
704.23047	1.6
712.24805	0.8
722.24939	3.6
730.25092	2.5
740.25739	2.5
806.28766	0.8
834.27618	1.8
852.29248	5.1
870.30078	9.3
888.46204	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	1.8
69.03436	5.1
69.53564	3.2
69.53977	2.4
71.04984	1.3
73.02914	1.3
79.37404	0.7
81.03407	3.3
81.07045	0.9
85.02908	11.4
87.04438	1.4
94.06577	1.5
95.04953	1.2
96.08083	1.0
97.02884	3.2
99.04441	1.8
105.06967	0.8
108.08161	0.9
109.02866	1.6
113.57017	0.7
116.41506	0.8
122.06023	2.7
123.06831	1.0
124.07602	2.5
127.03892	1.6
134.05925	1.0
136.07579	1.6
137.05875	1.2
138.05516	8.6
138.09137	2.0
138.30147	0.8
152.07123	4.4
154.08650	1.0
164.07037	1.2
166.08633	2.9
170.08150	2.3
172.03923	3.2
174.09138	1.1
182.08154	3.3
194.08182	5.1
200.09172	1.0
204.06627	6.1
212.09203	3.3
223.08769	1.2
232.11879	0.8
235.08635	1.9
237.10168	4.2
238.11151	1.4
239.08173	1.7
241.09944	0.9
249.10275	6.6
250.10966	1.7
251.08180	2.7
251.11826	3.7
253.09715	2.0
259.10654	1.7
263.08075	1.2
264.08905	1.2
265.09741	9.6
266.10342	1.0
267.08017	0.9
267.11292	2.8
277.09659	3.2
278.10553	6.0
279.08115	6.9
279.11130	8.3
280.11929	1.5
281.09149	1.6
281.12811	1.8
282.09958	1.2
283.10641	2.4
293.09167	2.3
293.12833	5.1
295.10791	3.5
295.14072	0.9
296.11490	1.1
297.12308	2.7
301.11896	1.3
306.10046	1.1
307.10660	1.8
309.12079	1.0
311.10172	5.3
311.13504	1.4
315.13214	1.4
321.12100	1.1
323.10336	2.4
323.13980	1.8
324.11179	1.5
325.11856	4.8
326.12653	2.4
328.10739	1.0
328.14340	2.1
329.11359	1.1
330.12405	2.0
330.16043	1.2
332.13480	1.7
333.14447	2.4
339.09512	1.6
339.13422	23.4
341.11380	3.1
342.12369	2.4
343.13007	3.6
344.13983	2.6
346.15253	0.9
351.09714	1.7
352.10516	1.7
353.10928	1.8
354.12350	1.3
355.13000	1.8
356.14072	4.3
357.10782	1.4
357.14523	4.3
358.15509	3.1
367.12857	6.4
368.13684	1.1
369.10651	4.3
370.11520	2.1
370.15710	1.7
371.12662	3.2
372.13397	3.5
373.14111	1.4
374.14948	3.4
376.16507	2.3
382.11563	1.0
384.13446	5.5
385.14334	3.9
386.14935	3.5
387.15784	1.9
388.16525	2.3
390.14337	1.0
396.13702	1.4
398.15359	1.8
399.15558	73.2
400.16721	7.4
401.13367	6.7
402.14352	3.7
403.15179	1.4
404.16098	9.1
412.12836	1.8
414.14288	1.9
416.16208	6.2
417.16754	6.3
418.17422	3.2
419.18100	2.1
420.15399	2.5
426.14316	1.4
428.16202	2.7
430.13870	2.7
430.18555	1.1
431.14569	1.7
432.15106	4.2
434.16989	2.3
444.15826	4.3
445.16016	3.3
446.16885	2.7
448.14728	2.7
449.15851	2.7
458.16986	2.4
460.18576	3.6
461.15588	1.7
462.16522	6.0
463.17477	2.4
464.18033	1.3
472.15247	4.9
474.16531	1.5
476.18436	4.7
477.19019	1.1
478.19949	5.0
486.16666	1.6
489.14938	1.4
490.16095	9.0
492.17502	1.4
493.18097	1.3
494.19061	3.2
504.12042	0.9
504.17776	9.5
505.18192	1.9
506.19382	5.2
521.17798	1.1
522.11359	1.5
522.18750	16.3
524.20093	2.5
536.20447	10.6
537.21130	1.8
549.21515	1.2
554.21350	1.3
556.22589	2.6
565.20441	1.8
566.20752	2.8
568.23230	3.8
593.19958	3.2
594.20831	1.5
611.21655	5.4
625.22949	4.9
634.20959	1.7
638.23334	1.8
640.24323	1.1
643.24030	32.0
661.24701	2.9
666.22961	46.9
667.23022	1.9
672.26984	1.1
684.24017	2.2
698.25580	100.0
699.26227	30.6
704.29742	1.0
716.26581	19.5
730.28265	7.5
731.28284	1.5
748.29077	11.1
773.25604	3.0
791.26764	1.1
805.29272	5.5
823.30261	7.1
855.32227	2.8
887.35095	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.4
67.05514	0.7
69.03427	0.9
70.67661	1.0
71.15122	0.3
74.35881	0.3
79.05492	1.4
81.03397	0.6
85.02899	0.9
89.03909	0.7
93.07074	0.8
94.06570	2.6
95.04974	0.6
95.07357	0.6
95.83126	0.3
96.08146	3.7
97.02871	0.5
98.21363	0.4
106.06548	0.5
108.04479	0.5
108.08125	3.1
110.06020	0.6
110.09676	4.9
111.03452	0.4
116.04996	2.7
119.35936	0.3
120.04478	0.6
120.08130	3.1
122.06033	6.5
124.07590	5.7
126.09153	0.8
127.03888	0.3
134.06091	0.7
136.07559	5.3
137.04726	0.9
138.05496	3.3
138.09151	5.6
140.07083	0.5
144.03383	0.6
144.04451	7.0
146.06020	3.1
148.07507	2.0
150.05559	0.5
150.09186	0.7
151.06279	1.0
152.07071	40.2
153.07802	0.6
154.08627	0.9
160.04004	2.0
162.05515	3.1
163.35124	0.3
164.07106	1.0
165.33636	0.4
166.08647	25.1
167.05786	0.9
172.03937	53.6
173.04306	0.6
174.05504	1.6
182.08138	23.6
190.05000	12.6
192.06616	0.7
194.08134	55.0
195.08450	0.6
200.09203	5.4
201.03394	0.4
204.06564	100.0
205.06885	1.1
206.08131	1.0
212.09183	57.4
213.10071	1.2
214.08568	0.6
217.09543	0.4
218.02861	0.4
221.10741	0.4
225.10139	0.5
226.07431	0.6
227.11841	0.8
228.10249	0.5
236.09424	0.9
240.09000	0.7
241.09737	3.7
243.11115	0.4
245.80074	0.3
251.08086	0.5
251.11823	1.0
252.08844	0.4
255.11290	3.5
259.10764	3.2
264.08838	1.0
271.10751	0.6
273.12338	2.4
279.11356	1.9
281.09311	0.7
281.12607	0.7
283.10818	6.8
293.09219	0.5
295.10709	0.8
297.12268	2.5
299.10352	0.8
299.13831	1.2
301.11798	6.7
307.10641	1.0
311.10257	0.7
313.11758	0.5
315.13397	6.5
319.12964	4.0
321.08624	0.6
323.10303	6.9
325.11829	14.4
327.09988	0.4
329.14890	1.8
331.12921	0.4
333.14459	13.5
333.18414	0.8
334.09225	0.6
334.14999	0.5
337.13995	2.2
339.13376	1.1
343.12930	2.2
349.13663	0.7
351.15601	3.9
352.98926	0.4
357.14447	33.9
358.15048	0.7
361.14035	0.5
366.11679	0.4
369.16397	0.9
385.13870	0.5
400.45224	0.4
416.15735	0.5
417.16599	0.8
448.18777	0.6
452.18271	0.4
464.17902	1.0
476.18030	0.6
487.17218	4.1
492.17288	0.7
494.18823	3.3
506.18991	0.5
508.20929	3.6
519.19940	2.9
522.18909	0.7
524.20245	6.2
526.21893	2.1
528.19342	0.4
542.21204	1.4
554.21082	0.9
560.22430	2.0
625.22479	0.4
643.23688	0.5
657.25665	4.7
661.26257	0.6
670.26068	2.5
671.26715	1.4
675.26654	2.5
689.28412	3.5
693.27747	2.0
707.29327	4.0
725.30237	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.6
67.05509	53.0
67.05878	2.6
69.03444	7.2
69.06725	1.8
69.07068	20.2
71.04984	2.3
73.02936	1.4
79.05498	24.5
81.03428	9.2
81.07057	27.7
83.04992	6.0
83.08622	12.6
84.08102	1.2
85.02903	6.9
85.06542	2.5
87.04449	2.4
91.05485	21.4
93.07056	18.7
95.04980	6.4
95.08617	13.3
97.02894	8.3
97.06535	4.2
97.10162	16.9
105.07043	13.6
107.04981	6.7
107.08601	16.2
109.06506	3.2
109.10156	32.7
111.04464	1.5
111.08063	4.6
117.07004	6.9
119.04919	1.7
119.08590	12.2
121.06488	4.3
121.10146	5.8
123.08053	3.2
125.09646	13.3
129.05528	2.0
129.06984	4.9
130.08646	2.5
131.08572	7.5
133.06508	3.0
133.10144	6.7
135.08058	4.6
135.11679	4.1
135.67566	1.0
137.09604	3.3
143.08516	3.1
145.10097	5.8
147.08076	5.1
147.11684	4.0
149.09613	2.6
149.13275	2.2
151.11186	2.3
153.12753	1.5
155.10654	1.7
157.10130	3.0
159.11708	2.2
161.09605	2.4
161.13191	1.2
163.11208	5.2
165.09180	1.6
169.12221	1.3
171.11743	1.3
173.09555	1.3
173.11769	7.9
173.13086	1.9
175.11156	2.2
177.12759	1.6
181.12195	1.4
187.49963	1.1
189.11220	4.5
191.10703	2.6
193.12259	3.0
195.13875	1.6
199.13339	5.4
209.11731	3.8
223.13268	16.5
227.12741	6.6
229.14368	25.9
249.14874	2.3
253.14316	4.0
267.15909	4.5
273.18488	12.9
283.15372	3.9
291.19550	100.0
301.16394	8.4
335.26120	1.7
347.22302	3.4
365.23239	38.8
399.23706	9.7
489.32034	3.2
507.33136	1.7
519.33179	31.5
527.36621	1.3
545.38300	1.2
557.34631	1.3
573.33612	1.7
591.35052	7.1
629.46545	1.3
660.47858	1.4
689.42566	14.4
794.17261	1.2
864.62531	1.4
886.49762	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60310	0.5
65.03944	1.3
67.05509	16.0
69.03440	3.0
69.07071	4.0
69.50143	2.4
69.50557	1.3
70.06590	1.8
71.01344	0.7
71.05002	3.1
73.02927	1.4
79.05059	1.1
79.05497	16.4
81.03423	68.2
81.06586	0.7
81.07064	16.1
83.04991	7.9
83.08624	20.3
84.84975	0.5
85.02423	1.0
85.02910	12.3
85.06557	1.4
90.66412	0.6
91.03967	2.1
91.05486	18.9
93.07052	11.1
94.18224	0.5
95.04975	25.3
95.08609	6.8
97.02903	4.7
97.06530	3.2
97.10164	4.6
99.04472	0.5
99.08126	0.6
103.05469	0.9
105.03391	0.5
105.07044	14.6
107.04967	7.5
107.08602	7.1
109.02809	0.5
109.06509	3.7
109.10165	4.7
111.04449	2.3
111.08093	8.5
112.70514	0.5
113.05978	1.3
115.05471	1.9
116.07027	0.8
117.07025	2.6
119.04976	0.8
119.08585	17.1
121.06519	4.0
121.10154	7.9
123.04470	1.3
123.08062	3.2
123.11757	1.1
125.06036	0.6
125.09654	3.2
127.03927	1.2
127.07572	0.6
128.06218	0.9
129.07018	11.2
131.04953	1.9
131.08571	10.3
133.06506	4.3
133.10152	7.0
135.08066	1.8
135.11670	1.0
137.06049	0.6
137.09621	2.6
141.07024	1.1
142.07793	2.8
143.08565	2.0
144.08766	0.5
145.04893	0.7
145.06516	4.6
145.10124	3.6
147.04451	1.0
147.08109	4.2
147.11702	10.7
149.09634	6.0
151.11264	0.9
153.09178	0.7
155.08554	1.3
157.06523	0.7
157.08795	0.7
157.10139	12.0
159.08063	1.2
159.11696	1.4
161.06041	0.8
161.09692	0.8
163.06021	0.7
163.11208	1.6
165.07039	0.6
165.12746	3.0
167.08527	0.7
169.10213	1.1
171.08014	1.0
171.10246	0.8
171.11697	1.5
173.09692	0.9
173.11803	0.7
175.11195	11.4
181.10202	0.7
183.11708	1.5
185.09692	1.2
185.13318	0.7
187.11107	0.7
189.11290	1.6
193.12257	33.4
195.11708	1.7
197.13318	0.8
199.11177	1.1
203.14372	0.7
205.12265	1.0
207.11746	0.7
209.11737	0.7
211.11295	0.8
211.13292	12.3
213.12761	1.2
215.14279	0.6
223.11232	0.8
225.12886	0.6
227.12666	1.0
227.14587	0.8
229.14403	2.2
231.13763	0.7
233.15292	1.8
235.13148	0.8
237.12675	0.7
239.14456	0.9
249.14894	1.6
255.13857	1.8
255.35277	0.5
259.13348	1.2
267.15936	100.0
268.16135	1.2
273.14783	5.2
285.17004	10.3
339.23151	1.5
341.21118	2.0
349.21701	2.4
357.24307	1.4
367.22708	7.7
385.23755	9.4
403.24823	3.1
407.12958	0.6
415.24985	0.9
421.25122	0.7
433.25891	17.8
434.26102	0.5
441.26321	8.6
441.31857	0.7
459.27444	81.8
460.27765	2.0
477.28525	54.4
478.28906	1.1
491.30002	1.1
501.28421	1.6
513.28064	0.6
519.29437	3.1
543.29492	0.8
567.29535	0.9
573.30457	0.8
585.30664	2.3
603.31586	2.8
605.03473	0.6
621.32190	0.8
825.50476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.9
67.05505	15.7
69.03425	3.7
69.07066	6.5
69.31923	4.1
71.04984	2.2
71.08632	17.7
73.02921	3.0
75.80110	0.4
79.05489	10.8
80.06238	0.5
81.03416	34.6
81.07056	21.4
83.04988	8.0
83.08620	19.6
83.77495	0.4
85.02906	21.9
85.06539	1.5
85.10182	9.4
87.04455	1.2
89.06050	1.1
91.03958	7.1
91.05482	16.4
93.07047	8.5
95.04970	14.2
95.08606	15.2
97.02896	6.4
97.06535	1.5
97.10168	5.1
99.04442	0.9
99.08069	0.7
105.04566	0.5
105.07025	11.0
105.07682	0.8
107.04960	4.4
107.08598	4.1
109.02887	0.6
109.06509	1.6
109.10152	8.5
111.04432	1.6
111.08083	5.5
111.11742	0.8
113.05997	1.3
115.05445	0.9
115.07570	1.0
117.07023	0.7
119.04923	0.5
119.08583	9.6
121.06487	0.9
121.10143	5.1
123.08064	1.9
123.11690	2.8
125.09637	0.5
127.03916	2.0
129.06998	5.5
131.08572	5.9
133.06493	1.9
133.10133	7.1
135.11650	0.5
137.09622	0.7
137.13249	1.2
142.07845	1.1
145.04988	2.5
145.10129	0.9
147.08035	2.0
147.11694	10.7
149.09622	4.7
151.11197	0.7
157.10136	8.6
163.06018	3.3
163.11206	0.6
165.12756	2.3
175.11205	10.2
193.12242	27.3
211.13297	38.4
239.23668	1.4
257.24731	2.0
267.15927	17.6
285.16959	60.9
313.27359	62.2
314.27585	0.7
505.31357	0.8
505.38876	14.3
523.39941	100.0
524.40167	2.2
630.43048	0.6
642.76550	0.5
667.44287	0.8
685.78107	0.5
692.50262	0.5
882.50146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	0.3
67.05507	8.4
69.03434	2.4
69.07074	5.0
69.36772	1.8
71.04990	1.2
71.08639	11.6
73.02917	1.5
79.05491	5.8
79.89362	0.2
81.03422	26.7
81.07063	13.5
83.04988	5.0
83.08624	14.3
83.09031	0.2
85.02912	11.9
85.06542	0.9
85.10188	6.9
87.04455	0.6
89.06032	0.7
91.03967	3.1
91.04484	0.4
91.05486	8.5
93.07050	4.7
95.04974	9.9
95.08611	11.5
96.04527	0.3
97.02901	3.8
97.06525	1.4
97.10180	4.5
99.04491	0.5
99.08089	0.5
100.07590	0.4
105.07038	6.4
107.04966	2.0
107.08584	2.3
109.02876	0.3
109.06531	1.8
109.10171	5.1
111.04458	1.1
111.08089	5.3
111.11742	0.4
113.06017	1.1
115.05480	0.5
117.07055	0.3
117.09074	0.3
119.04910	0.4
119.08582	6.9
121.06491	0.5
121.10151	3.4
123.08086	0.9
123.11686	2.4
125.09644	0.8
127.03902	1.2
129.07002	3.3
131.08563	3.6
133.06508	0.9
133.10130	3.5
135.08070	0.4
135.11684	0.7
137.09647	0.7
137.13341	0.5
142.07808	0.9
145.04948	1.0
145.10136	0.9
147.08078	1.1
147.11696	5.7
149.09627	2.0
151.11353	0.4
151.14815	0.4
155.20709	0.3
157.08858	0.2
157.10130	6.4
163.06036	0.7
163.11208	0.6
165.12772	1.2
165.16371	0.2
172.04216	0.3
175.11200	6.4
180.08789	0.3
193.12256	21.6
211.13304	25.9
227.12794	0.6
228.13141	0.4
239.23729	1.0
257.24817	0.8
259.38559	0.2
267.15939	9.4
283.15527	1.0
284.15921	0.5
285.16989	24.5
313.27386	32.7
314.27713	0.9
429.21243	0.8
460.21921	0.5
505.38937	7.5
521.38562	0.3
522.38922	0.6
523.39966	100.0
524.40411	1.8
556.48242	0.3
607.28595	0.7
667.43976	0.7
710.28491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	2.5
64.71820	0.3
65.03931	0.6
67.05509	9.9
69.03410	1.2
69.07072	5.9
69.29111	3.1
70.09671	0.3
71.04973	1.5
71.08636	13.8
73.02898	1.5
79.05499	10.4
81.03400	1.1
81.07063	14.1
83.04963	1.6
83.08624	8.7
85.02908	3.0
85.06532	0.5
85.09722	0.5
85.10187	7.3
89.06004	1.2
91.03947	1.8
91.05486	3.6
93.07050	15.1
95.04972	2.6
95.08612	26.4
95.51341	0.3
97.02897	3.6
97.06556	1.6
97.10180	3.1
99.04453	2.9
99.11726	0.6
100.39002	0.3
102.67393	0.3
103.05441	0.4
103.07543	0.7
105.07053	2.9
107.04294	0.5
107.04963	4.0
107.08598	14.0
109.06541	0.9
109.10152	5.4
111.04445	0.9
111.08042	0.4
111.11705	0.5
115.05404	0.5
117.07029	3.9
119.08582	5.1
121.06514	2.8
121.09323	0.6
121.10144	7.4
123.11718	1.7
125.06017	2.0
127.03986	0.7
130.07787	0.8
131.04930	0.4
132.17053	0.3
133.10115	2.1
135.08032	1.2
135.11700	29.3
137.13222	1.1
139.07542	1.2
139.11153	0.4
145.05002	0.5
145.10135	16.8
145.11296	0.8
153.12711	0.8
163.11188	43.2
164.11494	0.5
173.09645	0.4
174.91429	0.4
181.12239	6.8
181.13710	0.7
209.11789	0.5
221.22774	0.4
227.12794	48.0
228.13115	0.4
229.18948	0.3
239.23708	1.0
257.24817	1.8
283.15411	82.0
284.15817	1.1
313.27374	79.5
314.27640	1.8
369.50723	0.4
521.38409	100.0
522.38879	2.5
522.61133	0.4
562.25153	0.6
621.26605	0.4
622.27417	1.4
623.28589	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35889	1.3
65.03931	2.0
67.05496	6.7
67.81296	1.3
69.03421	4.4
70.06564	3.1
71.55914	2.1
77.03930	1.7
79.05490	13.9
81.03417	11.2
81.07052	3.9
81.46105	1.5
83.01321	1.6
83.04987	1.6
91.05480	14.9
93.07034	6.3
95.01318	3.8
95.04966	19.0
95.08614	2.2
97.02889	3.3
97.06517	1.6
100.07607	2.6
103.05459	7.3
105.07027	33.3
107.04940	8.6
107.08572	2.6
109.06520	5.6
111.04401	2.2
113.05994	2.7
115.05460	8.0
117.07014	7.6
118.06502	1.7
119.04913	4.6
119.08597	7.1
121.02871	2.2
121.06497	11.9
123.04401	5.7
123.08054	3.8
125.06046	2.0
128.06210	9.9
129.07027	10.8
131.04897	5.3
131.08574	14.5
131.70517	1.7
133.06496	38.8
133.10120	2.0
135.04396	4.4
135.08035	8.5
136.06212	2.9
137.05977	6.0
139.03874	2.3
141.06976	9.2
142.07776	10.6
143.08578	25.9
145.06477	14.1
145.10155	7.2
146.08109	6.2
147.04378	1.7
147.08049	5.8
149.05986	5.8
151.07483	3.0
152.06218	3.5
153.07013	2.0
154.07738	2.9
155.08554	10.1
156.09354	18.3
157.03107	1.5
157.06479	3.8
157.10136	14.3
158.07285	2.9
159.08046	13.4
159.11684	6.2
161.05989	58.7
161.09593	3.7
162.06679	2.4
163.07550	11.1
165.05624	3.3
165.06989	10.0
166.07817	4.0
167.08571	19.2
168.09354	1.8
169.06474	8.5
169.10126	16.0
170.07195	2.4
170.10820	3.0
171.08051	9.1
171.11700	18.4
173.06035	3.1
173.09628	6.4
173.13202	1.9
175.07573	4.3
175.11180	2.1
176.10713	3.4
177.05466	5.0
177.06931	2.2
177.09105	2.2
177.11528	1.9
179.07021	5.1
179.08554	5.9
180.09299	2.5
181.06422	2.1
181.10126	9.0
182.07274	4.2
183.08076	14.4
183.11604	5.1
184.08862	15.6
185.06001	3.3
185.09590	16.4
186.10425	1.9
187.07576	10.3
187.11224	7.8
188.08350	1.7
189.09087	5.4
189.12743	2.2
190.08676	3.8
191.08536	2.5
192.09277	3.2
193.10118	5.7
195.08078	15.3
195.11719	3.0
196.08839	4.3
197.06006	5.2
197.09630	23.6
198.10387	3.7
199.07451	3.5
199.11188	100.0
201.09108	6.8
203.08629	2.0
205.10216	2.1
207.08083	5.4
207.11722	2.5
208.08806	4.0
209.09650	8.7
209.13307	3.2
211.07613	8.6
211.11168	8.8
212.08340	7.0
213.09117	19.2
213.12593	1.6
215.06987	2.7
215.10651	12.3
217.08560	6.4
217.12186	5.7
218.10936	2.6
219.08041	5.3
219.10002	2.5
220.08934	2.0
221.09689	5.6
221.13010	2.0
222.10457	2.4
223.07520	6.7
223.11165	6.4
224.08426	2.5
225.09099	42.2
225.12592	2.8
226.09741	2.8
227.10657	13.8
229.08549	5.0
230.24820	19.7
231.09999	2.1
233.09766	2.2
235.07507	6.0
235.11281	4.1
235.65259	1.6
236.08307	2.4
237.09096	7.1
237.12727	2.4
239.07022	3.5
239.10762	8.4
241.08542	9.1
241.12245	2.6
243.10129	14.3
247.07425	2.6
247.09459	11.6
249.09044	7.6
251.06998	1.7
251.10693	5.2
253.08597	4.8
253.12254	7.3
255.10147	12.9
257.11581	9.6
260.12057	2.9
261.09097	2.2
263.10770	3.7
267.10104	17.9
269.07822	2.3
269.11835	2.9
271.09570	20.1
272.11816	2.6
273.12857	1.8
274.27380	19.8
275.12793	1.9
275.27805	8.6
279.10156	5.5
281.11703	4.9
283.09583	3.6
285.11093	11.9
286.13464	2.1
289.12106	2.9
291.10074	2.4
291.13574	2.1
297.11478	1.8
299.14368	1.7
301.10938	5.8
301.15579	2.7
303.12106	16.8
307.09641	4.6
309.11160	6.7
311.14224	2.2
313.12149	3.1
315.13770	2.9
317.11761	3.1
317.15329	3.7
321.13077	3.6
325.10944	2.8
327.12823	1.8
329.14941	2.8
331.13141	2.4
331.16867	5.1
337.12784	2.4
345.14944	3.3
347.16443	2.4
348.21625	6.1
349.17981	3.1
355.13348	2.9
357.14709	4.1
359.16605	8.4
373.14423	9.8
375.15744	1.8
377.17664	13.9
385.14111	5.7
387.15329	3.5
391.15442	3.4
395.18674	13.6
401.13654	4.9
403.15460	9.3
405.16769	4.8
413.13715	2.5
415.15213	3.1
417.16977	3.0
419.14664	5.9
421.16193	3.8
431.14697	5.2
433.16614	13.6
435.18137	4.7
439.17419	3.6
445.16409	6.3
449.15851	6.3
451.17639	11.5
453.18808	2.2
463.17517	42.9
467.16650	2.5
469.18536	16.0
475.79803	1.8
481.18597	21.7
499.19708	16.9
517.20520	6.6
565.17114	2.6
579.18298	4.6
589.20587	3.9
627.22369	18.7
701.26001	3.9
805.28168	20.5
823.29706	13.6
841.30591	12.1
876.51324	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	876.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	2.6
67.05508	10.6
69.03413	4.2
79.05495	16.3
81.03426	9.5
81.07053	5.2
83.01324	2.0
83.04984	2.4
85.06502	2.1
91.05480	21.7
93.07049	12.3
95.01308	4.7
95.04978	19.0
95.08586	4.1
97.02924	3.2
100.07577	3.3
103.05450	6.7
105.07036	38.0
107.04973	10.7
107.08575	6.7
109.06519	10.5
111.04453	2.2
115.05435	13.1
117.03429	2.4
117.07020	10.1
119.04956	5.1
119.08570	11.5
121.02821	4.5
121.06520	12.7
123.04454	3.9
123.08028	4.2
125.06005	3.3
128.06209	14.5
129.06999	14.9
130.07779	2.5
131.04918	6.6
131.08568	19.8
133.06500	37.6
133.10130	2.6
135.04434	6.4
135.08055	9.2
135.39490	2.2
137.05957	9.2
141.07001	16.0
142.07784	12.4
143.08563	26.3
145.02893	2.5
145.06488	19.3
145.10098	6.5
146.08107	8.8
147.04381	2.9
147.08073	10.9
149.05960	12.4
151.07513	5.8
152.06189	8.8
153.06985	4.5
154.07733	8.9
155.08533	10.9
156.09344	20.9
157.06450	8.0
157.10149	17.9
158.07275	6.2
159.08052	19.3
159.11679	5.5
160.08911	2.2
161.05988	53.6
161.09601	3.7
163.07542	13.6
165.05550	4.8
165.06996	15.4
166.07794	10.6
167.07207	3.4
167.08549	23.0
168.09325	3.7
169.06520	11.5
169.10112	24.7
170.07300	4.3
170.10999	2.6
171.08047	14.0
171.11653	16.9
172.08824	5.2
173.05998	4.6
173.09587	7.9
175.03873	2.6
175.07552	6.8
177.05444	7.9
177.09084	3.8
179.07007	5.5
179.08543	9.4
180.09377	5.0
180.34842	2.4
181.06435	2.8
181.10117	12.7
182.07199	4.9
183.08015	19.4
183.11702	8.2
184.08797	17.2
185.05969	4.8
185.09625	19.6
187.07550	18.0
187.11177	9.0
189.09114	5.1
191.08566	4.3
192.09375	3.5
193.06454	2.3
193.10101	8.2
195.08038	21.2
195.11610	5.9
196.08801	8.1
197.06032	2.9
197.09625	31.3
197.13217	2.5
198.10307	3.4
199.07523	8.4
199.11180	100.0
201.09082	7.9
203.06958	4.1
203.08675	3.8
203.10666	3.7
205.08514	3.2
205.10196	5.0
207.08086	6.4
207.11667	5.6
208.09055	4.2
209.09673	12.1
209.13345	2.5
210.10373	2.3
211.07552	8.2
211.11128	12.2
212.08304	13.7
213.09077	20.4
213.12613	2.9
215.06960	3.7
215.10664	14.1
217.08434	11.5
217.10425	2.8
217.12221	5.8
218.10699	2.3
219.07997	8.3
219.11659	4.3
220.08736	3.7
221.09564	6.9
221.13222	2.9
223.07532	6.7
223.11162	9.1
224.08354	3.3
225.09123	43.7
225.12642	3.0
226.09816	4.4
227.07034	3.5
227.10680	20.7
229.08508	3.9
229.12256	3.8
233.09692	3.3
235.07491	7.9
235.11235	4.1
236.08302	2.1
237.09050	8.1
237.12735	5.5
238.09935	3.9
239.07028	4.8
239.10762	10.8
241.08397	9.8
241.12311	4.1
243.10028	14.7
245.09749	2.7
245.11662	3.6
247.09660	9.4
249.09047	9.3
249.12820	2.7
250.09969	3.5
251.10625	5.7
253.08440	5.5
253.12279	5.7
254.09152	2.3
255.10078	15.1
256.12372	3.8
257.11627	12.4
259.11328	3.6
263.10596	3.4
265.08420	4.0
267.10110	10.9
269.08005	3.4
269.11847	3.7
271.09604	15.3
272.11993	2.5
273.11038	3.8
275.13010	2.4
279.10162	8.0
279.13760	2.5
281.11734	6.2
283.10629	2.1
285.11145	11.4
287.13049	2.4
289.12131	3.1
291.13864	3.1
300.11172	3.0
301.10699	6.2
303.12079	13.0
307.09616	7.0
309.11224	4.1
313.15607	3.3
314.13107	4.1
315.13678	3.1
316.14618	2.2
317.15176	3.0
319.16818	3.6
325.10712	3.3
327.13654	2.7
329.15436	4.6
331.16946	4.9
339.12888	2.7
343.13333	3.5
345.14618	2.9
347.16266	4.3
349.18057	4.3
355.13629	2.6
357.14621	2.9
359.12299	3.0
359.16321	9.1
365.17438	2.5
373.14246	8.9
375.16003	2.7
377.17670	9.9
385.14066	3.8
387.15585	3.4
393.16724	3.0
395.18420	8.2
401.13522	5.0
403.15408	10.9
405.16824	6.8
413.14035	2.4
415.15466	3.6
417.17383	2.8
419.14838	7.6
421.16428	5.5
423.14676	3.4
431.14566	5.9
433.16455	11.0
435.17953	4.5
439.17548	4.0
445.16324	8.5
449.15735	4.5
451.17587	11.1
453.19055	3.4
457.18484	3.2
463.17523	31.0
467.16745	3.6
469.18695	13.0
481.18576	24.5
491.17908	2.2
499.20044	11.7
517.20984	3.7
579.18530	3.4
589.20459	2.5
627.22150	15.5
805.28253	11.9
823.29163	8.9
841.29895	4.4
904.04028	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	872.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.3
65.03938	5.7
65.94248	1.4
67.05509	100.0
69.03435	11.9
69.07076	66.2
69.18150	17.1
70.06590	2.4
71.01338	2.3
71.04977	6.1
71.08621	1.9
73.02919	3.0
74.19296	1.6
77.03922	2.5
79.05499	71.4
81.03426	19.8
81.07063	86.8
83.04986	13.2
83.08621	21.4
85.02905	9.7
85.06534	5.5
86.06065	1.8
87.04457	2.5
91.03944	1.8
91.05489	70.3
93.07051	66.9
95.04974	17.4
95.08617	52.7
97.02907	8.5
97.06533	22.8
97.10166	16.8
98.06060	3.1
99.04496	1.8
99.08099	4.6
103.05478	2.6
105.04500	3.4
105.07036	52.7
107.04959	14.5
107.08598	47.8
109.02888	3.6
109.06523	9.6
109.10168	33.6
111.04402	1.9
111.08095	8.6
113.06000	2.1
115.05436	3.1
116.06252	2.2
117.07025	21.6
119.08597	41.6
119.09458	2.5
119.28747	1.4
121.06522	7.6
121.10146	23.2
123.08071	6.0
123.11725	5.3
125.09641	15.9
127.03930	5.2
128.06209	2.6
129.05518	2.9
129.07001	11.0
130.07825	2.0
131.08569	29.1
133.06499	2.7
133.10149	31.2
135.08029	7.5
135.11688	15.5
137.06001	1.6
137.09618	16.0
139.11142	2.4
141.06978	3.3
142.07785	2.4
143.08554	8.2
145.06465	3.0
145.10152	23.7
147.08037	4.3
147.11678	15.7
149.09634	32.7
149.13264	11.9
151.11191	4.4
153.09158	1.5
155.08586	4.2
155.10677	3.5
157.10121	9.6
159.08078	2.0
159.10463	1.8
159.11725	18.9
161.09662	4.1
161.13321	9.3
161.14452	1.5
163.11206	12.3
165.09320	1.6
165.12790	1.6
167.10721	1.8
169.10156	5.1
171.10153	4.2
171.11662	4.9
173.04445	2.3
173.11751	8.8
173.13269	7.3
175.11176	6.1
177.12761	7.0
179.10901	1.8
179.14310	6.3
183.11719	5.3
185.13251	3.6
187.11240	3.6
187.14832	3.0
189.11241	8.0
193.12250	2.6
195.11873	2.2
195.13788	6.7
197.13211	2.7
201.12724	3.4
205.12187	3.4
209.13316	2.9
211.13191	2.1
217.16055	1.7
219.13811	2.0
227.12791	14.3
229.14345	14.5
229.19470	4.9
239.18015	4.7
247.20616	4.7
253.14394	3.3
253.17920	3.2
255.15988	5.3
257.19073	12.2
267.16019	4.0
269.17435	14.5
273.18472	4.4
275.20090	48.7
285.16943	1.8
291.19724	10.2
293.21136	4.6
321.24136	2.7
331.22855	2.6
347.22308	1.9
349.23761	50.1
365.23257	5.7
367.25040	2.9
383.24323	2.9
399.23883	2.9
409.25717	3.8
423.27539	7.3
432.86472	1.5
447.31168	2.2
503.33533	4.7
527.37030	2.8
529.35156	7.1
543.36877	19.2
561.38300	2.5
623.42957	11.8
641.44135	2.7
690.22791	1.6
872.53741	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	872.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.3
65.03938	5.7
65.94248	1.4
67.05509	100.0
69.03435	11.9
69.07076	66.2
69.18150	17.1
70.06590	2.4
71.01338	2.3
71.04977	6.1
71.08621	1.9
73.02919	3.0
74.19296	1.6
77.03922	2.5
79.05499	71.4
81.03426	19.8
81.07063	86.8
83.04986	13.2
83.08621	21.4
85.02905	9.7
85.06534	5.5
86.06065	1.8
87.04457	2.5
91.03944	1.8
91.05489	70.3
93.07051	66.9
95.04974	17.4
95.08617	52.7
97.02907	8.5
97.06533	22.8
97.10166	16.8
98.06060	3.1
99.04496	1.8
99.08099	4.6
103.05478	2.6
105.04500	3.4
105.07036	52.7
107.04959	14.5
107.08598	47.8
109.02888	3.6
109.06523	9.6
109.10168	33.6
111.04402	1.9
111.08095	8.6
113.06000	2.1
115.05436	3.1
116.06252	2.2
117.07025	21.6
119.08597	41.6
119.09458	2.5
119.28747	1.4
121.06522	7.6
121.10146	23.2
123.08071	6.0
123.11725	5.3
125.09641	15.9
127.03930	5.2
128.06209	2.6
129.05518	2.9
129.07001	11.0
130.07825	2.0
131.08569	29.1
133.06499	2.7
133.10149	31.2
135.08029	7.5
135.11688	15.5
137.06001	1.6
137.09618	16.0
139.11142	2.4
141.06978	3.3
142.07785	2.4
143.08554	8.2
145.06465	3.0
145.10152	23.7
147.08037	4.3
147.11678	15.7
149.09634	32.7
149.13264	11.9
151.11191	4.4
153.09158	1.5
155.08586	4.2
155.10677	3.5
157.10121	9.6
159.08078	2.0
159.10463	1.8
159.11725	18.9
161.09662	4.1
161.13321	9.3
161.14452	1.5
163.11206	12.3
165.09320	1.6
165.12790	1.6
167.10721	1.8
169.10156	5.1
171.10153	4.2
171.11662	4.9
173.04445	2.3
173.11751	8.8
173.13269	7.3
175.11176	6.1
177.12761	7.0
179.10901	1.8
179.14310	6.3
183.11719	5.3
185.13251	3.6
187.11240	3.6
187.14832	3.0
189.11241	8.0
193.12250	2.6
195.11873	2.2
195.13788	6.7
197.13211	2.7
201.12724	3.4
205.12187	3.4
209.13316	2.9
211.13191	2.1
217.16055	1.7
219.13811	2.0
227.12791	14.3
229.14345	14.5
229.19470	4.9
239.18015	4.7
247.20616	4.7
253.14394	3.3
253.17920	3.2
255.15988	5.3
257.19073	12.2
267.16019	4.0
269.17435	14.5
273.18472	4.4
275.20090	48.7
285.16943	1.8
291.19724	10.2
293.21136	4.6
321.24136	2.7
331.22855	2.6
347.22308	1.9
349.23761	50.1
365.23257	5.7
367.25040	2.9
383.24323	2.9
399.23883	2.9
409.25717	3.8
423.27539	7.3
432.86472	1.5
447.31168	2.2
503.33533	4.7
527.37030	2.8
529.35156	7.1
543.36877	19.2
561.38300	2.5
623.42957	11.8
641.44135	2.7
690.22791	1.6
872.53741	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	871.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	1.2
66.92091	0.9
67.05172	1.5
67.05509	18.6
69.07079	5.5
69.46716	5.2
70.95873	5.1
71.08627	12.3
71.92993	1.7
72.93790	17.5
74.95330	1.5
79.05488	10.1
81.03436	5.7
81.07062	19.1
82.95814	1.0
83.08611	3.9
85.10190	5.3
88.96890	1.4
89.06026	1.5
89.94079	1.6
90.94830	10.3
91.05484	5.6
93.07046	10.4
93.58278	0.9
95.08615	17.8
97.10150	2.8
100.96880	1.8
102.94819	2.9
103.03944	1.8
105.07051	5.5
107.08604	5.3
108.95882	1.6
109.02832	1.5
109.10155	7.4
110.03696	1.1
111.64278	0.8
113.96413	2.9
115.95602	1.4
116.96360	4.3
117.07009	1.0
118.94318	1.9
119.08584	1.9
121.10146	4.1
123.11696	2.3
125.09657	0.9
126.98409	3.5
128.96362	3.7
130.97913	3.1
131.08577	2.1
131.98692	1.3
132.95856	21.0
133.10110	1.2
134.97437	2.8
135.11691	1.2
136.93102	4.8
138.98405	1.3
140.96330	2.5
141.00188	0.9
142.39040	1.0
142.97881	1.4
144.95834	11.0
144.99492	3.4
145.10201	1.2
146.97397	10.0
148.99028	2.1
149.13272	1.3
150.96925	6.9
150.98035	1.0
151.97679	1.4
152.96347	1.3
154.94188	9.8
154.97882	2.2
155.97417	3.4
156.95827	4.6
158.97421	12.1
159.01060	1.0
160.98959	1.0
161.13295	0.9
162.96971	4.9
164.98471	34.7
164.99849	1.7
165.97110	1.8
166.97902	1.2
167.97461	1.8
168.95868	1.8
168.99562	1.0
169.98979	2.2
170.97415	8.9
172.95239	10.2
172.98933	2.8
174.96886	2.7
175.26656	1.0
176.97130	0.9
176.98412	5.5
177.95697	1.3
178.97940	3.0
180.95892	1.2
181.98982	1.3
182.97440	4.0
183.98235	1.6
184.98959	3.5
186.96883	2.0
187.00525	1.3
188.00058	4.4
188.98462	6.1
189.03650	1.2
190.96301	3.5
191.00064	1.6
192.97998	3.1
195.96950	0.9
196.92030	1.8
196.98897	2.1
198.96896	45.1
200.98601	4.7
203.00061	2.6
206.99506	8.9
213.03656	1.8
214.91275	1.0
214.93088	5.9
214.96335	0.9
214.99997	2.0
215.05310	1.1
216.97943	8.7
218.99518	4.8
221.02744	1.2
221.98489	1.6
222.93616	1.2
223.04037	2.0
224.98419	1.2
227.05244	1.9
228.97835	1.2
230.99484	7.7
233.01064	13.7
233.55313	1.0
237.05649	1.7
239.23787	0.9
239.99594	3.1
240.94591	1.3
241.05185	2.9
242.99615	1.4
243.06732	1.5
244.91959	1.2
245.01080	3.3
252.94672	1.7
254.99220	1.3
255.06726	1.3
257.24820	1.0
262.93121	23.4
270.95651	5.8
273.00516	3.5
275.07251	2.0
278.09442	1.4
279.08240	2.0
279.23056	1.1
280.94165	13.2
281.09973	4.3
283.11450	3.0
285.94702	4.5
294.95782	1.1
298.95267	22.5
298.98499	4.1
300.94562	1.4
307.13519	2.1
307.83356	1.0
309.15082	2.1
311.16592	2.2
312.96805	4.8
313.27374	49.0
314.27847	1.3
316.99451	4.0
317.17972	6.1
318.95590	1.7
321.96918	4.7
322.00238	1.3
325.14722	1.1
327.10547	1.3
327.16269	2.4
329.11902	6.0
329.17749	10.2
331.13446	12.0
332.15173	1.1
333.15128	100.0
334.15427	2.1
335.19186	2.6
335.25775	33.6
336.26328	1.4
336.96667	8.0
342.97937	1.1
347.18744	2.8
351.16214	1.5
354.97797	15.7
370.14832	1.3
372.98920	28.0
374.17712	3.1
381.48093	1.1
385.20309	2.4
396.00421	3.1
397.20380	1.1
407.18845	12.8
414.01682	3.1
449.20056	4.6
453.17215	1.6
464.46738	1.1
471.18063	1.9
519.17053	1.9
537.18018	2.4
541.15826	1.6
551.19611	1.4
573.17804	1.1
573.48682	7.5
575.20020	1.4
576.20142	0.9
593.20752	14.4
597.18365	1.2
611.21863	64.0
615.19250	45.5
616.19745	1.3
629.22992	1.1
633.20270	69.2
634.22003	2.8
645.41650	4.3
652.24310	8.5
871.45294	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	871.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	0.8
69.03439	1.7
70.06591	0.6
71.54886	0.4
71.55280	0.6
75.40115	0.5
79.05521	0.5
80.40955	0.5
81.03418	1.1
81.07067	0.6
82.06580	0.5
85.02913	3.3
91.05512	0.6
94.06582	1.5
95.07352	0.8
96.08150	1.5
97.02907	1.7
99.29395	0.5
107.07350	0.8
108.08117	4.0
109.02942	0.7
110.09673	3.5
118.06524	0.5
119.10751	0.5
120.04491	0.9
120.08115	3.8
122.06043	4.8
122.09701	2.0
124.07617	0.9
127.03957	0.9
134.05989	0.6
136.07590	6.8
137.05991	0.6
138.09158	5.4
146.06012	1.5
148.07585	2.1
150.09163	3.8
152.07088	1.8
154.05028	0.7
164.07092	1.3
166.08649	12.8
172.03915	2.4
174.05640	0.6
180.10124	0.8
190.05025	1.3
192.06671	0.6
194.08182	1.7
196.09872	0.7
197.10712	0.9
204.06657	4.1
205.06912	0.6
209.10812	0.6
211.12274	0.7
211.15977	0.5
212.09398	0.6
213.10254	0.7
220.10245	0.6
223.08780	0.6
225.10297	1.6
227.11890	1.4
230.10457	0.5
235.08804	1.2
236.09390	0.8
237.10193	4.2
238.11116	1.0
239.07976	0.6
239.11774	2.4
241.04774	0.5
241.09668	0.8
243.11415	1.0
245.12769	0.6
246.07825	0.5
248.09387	1.7
249.10298	3.6
250.11028	1.2
251.08194	1.4
251.11777	4.9
252.12631	0.8
253.09737	2.5
255.11267	2.4
256.11771	0.6
257.12766	0.9
261.10287	2.6
262.10901	0.8
263.09128	0.9
263.11703	4.4
264.09024	0.8
265.09772	6.6
265.12900	0.9
266.10660	0.9
267.11359	4.3
268.12149	0.7
269.09189	0.7
269.12933	0.7
271.10889	1.2
273.12369	1.7
277.09650	1.7
278.07010	0.9
278.10522	3.4
279.07877	1.2
279.11249	9.0
280.12042	1.8
281.09302	1.8
281.12900	1.5
282.10175	0.9
283.10852	4.0
283.64713	0.6
284.11362	0.7
285.08762	0.9
285.12292	1.4
287.10455	1.2
287.13782	0.8
289.09662	5.4
291.11356	2.2
293.09247	3.4
293.12936	3.0
294.10159	2.1
295.10895	1.9
295.14203	0.7
296.11722	2.4
297.08807	1.1
297.12372	1.7
299.10352	1.5
301.11798	1.5
303.13538	0.5
306.09882	1.2
307.10632	2.5
308.11621	1.1
309.09149	0.5
309.12289	2.8
311.10391	3.9
311.13898	2.7
312.11169	1.7
313.11823	1.7
314.12704	0.9
315.10001	1.0
315.13489	0.8
317.09238	1.1
321.08643	0.6
321.12289	0.8
323.10370	2.1
323.14029	1.4
324.11157	1.3
325.11862	4.0
326.12720	2.3
327.13428	4.2
329.15335	0.6
333.14496	3.3
334.14819	2.7
335.10330	9.2
335.14749	0.7
337.11917	1.9
339.13412	27.0
340.10513	1.7
341.11395	2.1
341.15094	0.8
352.10556	1.1
353.11285	5.5
353.15302	0.8
354.11996	3.1
355.12924	10.6
355.17264	0.7
356.13998	0.7
357.14471	1.2
358.15427	0.8
367.12915	26.1
368.13571	0.6
371.12509	0.6
386.14731	0.6
389.13602	1.5
398.18469	0.7
415.14981	0.9
432.19171	0.8
442.17603	1.0
444.19492	0.9
446.17105	0.8
451.20792	0.6
460.18695	3.4
474.20898	0.6
488.18008	9.1
492.21478	1.6
502.19354	1.0
506.19217	3.5
520.20862	9.6
552.22998	0.7
615.24530	1.8
627.24219	4.4
650.23450	5.9
654.27521	0.5
659.25818	2.2
682.26086	100.0
683.26312	2.7
691.25653	1.6
700.26862	0.6
714.28534	14.4
715.28430	1.5
732.28876	0.8
789.29718	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	0.6
65.52224	0.3
69.03442	2.7
71.05002	0.6
71.55747	0.3
71.56114	0.3
73.02911	1.2
79.05493	0.8
80.05003	0.4
81.03422	0.9
81.07048	0.4
84.08173	0.3
85.02904	2.8
87.04465	0.7
91.05505	0.6
93.07050	0.5
94.06559	0.8
95.04970	0.7
95.08633	0.4
96.59633	0.3
97.02894	1.3
99.04457	0.6
105.07047	0.4
107.07372	0.4
108.08109	3.6
109.02994	0.3
109.10239	0.4
113.04234	0.5
116.64977	0.3
120.08135	0.6
121.10179	0.3
122.05987	0.5
122.09634	0.3
124.07636	0.3
127.03929	0.5
136.07581	5.9
138.09120	0.5
148.07593	1.3
150.09120	0.4
152.07079	0.6
156.08354	0.4
162.05518	0.5
164.07080	1.6
166.08659	0.4
178.08568	0.4
211.08641	0.3
223.08751	0.5
235.08748	1.0
236.09552	0.5
237.10283	1.7
247.08755	0.4
248.09534	0.9
249.10251	3.1
250.11049	0.8
251.08182	0.8
251.11778	0.5
253.09801	0.4
259.11218	1.2
261.10294	0.9
263.08212	1.3
263.11838	0.9
264.09009	1.3
265.09802	3.1
266.10556	0.9
267.11349	0.4
275.08188	0.4
276.08990	2.0
277.09753	5.1
277.12561	0.5
278.10559	1.3
279.08109	0.5
279.11340	2.2
280.12271	0.5
281.09305	0.4
281.12820	0.7
289.09763	0.7
291.07922	0.5
291.11319	1.7
292.08374	0.6
293.09265	2.0
293.12915	1.6
294.10022	0.7
295.11108	0.3
297.12622	0.5
304.08481	0.9
305.09244	2.7
306.10092	0.6
307.10727	2.4
308.11646	0.7
309.08661	0.4
309.12195	0.7
311.10361	0.5
319.10757	7.1
320.11249	0.4
321.08878	0.5
321.12408	1.2
323.10327	0.6
325.12030	0.7
326.12946	1.2
327.13916	0.4
328.14523	0.7
332.08029	0.6
333.08887	1.2
335.10410	0.6
337.12146	0.7
338.13031	0.9
339.09879	0.8
339.13678	0.9
340.10812	0.4
340.14499	1.5
341.11514	0.5
341.15262	0.4
342.16174	1.1
347.10364	1.8
351.09683	2.9
352.10623	0.5
352.14560	0.7
353.11383	2.2
354.12436	2.2
354.16107	0.6
355.13071	1.2
356.13953	1.5
356.17838	0.5
358.15619	0.8
365.11322	5.8
365.15915	0.3
366.12448	1.2
367.13293	1.5
368.13962	3.8
368.17798	0.2
369.14685	1.4
370.11490	0.5
370.15659	2.0
372.17249	0.7
379.13684	0.3
380.14032	1.5
381.11111	0.8
382.11374	1.8
382.16217	1.6
383.12677	1.6
383.16827	0.6
384.13428	1.2
384.17273	0.9
385.18320	0.4
386.15219	0.8
392.14215	0.5
394.11838	0.7
394.16382	0.3
395.12921	1.0
396.13348	4.6
397.14261	1.2
398.14886	2.8
400.16714	1.6
401.17743	0.4
408.13596	1.1
409.14273	0.8
410.15524	2.1
411.11499	0.6
411.15964	1.2
412.11987	0.5
412.17166	1.7
413.17838	0.4
414.14105	0.7
414.18793	0.7
415.14999	0.3
416.20059	0.7
422.15485	0.4
423.12411	0.4
424.12503	2.2
425.13794	0.4
426.14542	1.7
426.19196	0.5
427.15286	1.0
428.16275	2.4
429.17023	0.9
430.17975	0.4
438.14618	1.1
439.15366	0.8
440.16101	1.3
442.13257	0.6
442.18353	0.8
444.20062	2.1
452.11914	0.6
454.12943	0.4
454.17825	1.0
456.16068	1.7
457.16364	0.8
458.17194	0.8
460.18704	0.7
466.14145	0.5
469.13168	0.8
470.13480	2.1
470.18097	0.8
471.13928	0.4
472.19360	1.9
474.16989	0.5
480.15521	0.4
483.14587	0.6
484.14758	1.4
486.16342	0.5
488.18118	3.0
498.16840	2.1
500.17844	1.1
501.15631	0.5
502.15799	0.4
516.17596	5.6
548.20569	0.7
566.70953	0.4
606.24115	0.5
623.21295	1.9
634.23987	0.4
641.22656	0.6
646.20703	0.5
657.22736	0.4
678.22925	15.2
679.23743	2.8
696.23975	2.5
710.25555	100.0
711.25647	2.9
785.26636	2.2
803.27368	1.2
835.30109	0.8
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
60.64093	0.3
61.02649	0.3
61.02927	3.6
65.03928	0.7
67.05505	5.4
69.03429	2.8
69.07063	2.9
73.02929	3.1
75.04485	0.3
79.05492	4.2
81.03423	3.2
81.07054	6.7
83.04978	0.9
83.08616	1.1
85.02906	4.0
85.06546	0.4
87.04512	0.4
90.32982	0.3
91.03969	1.9
91.05486	3.4
93.07050	4.2
95.04984	2.1
95.08614	2.9
97.02907	3.1
97.06542	0.4
97.10185	0.7
99.04448	0.6
101.02409	1.0
101.23959	0.4
105.07043	2.6
107.04977	0.5
107.08597	2.3
109.02915	0.5
109.06525	0.7
109.10178	1.3
111.08138	0.4
117.07036	1.0
119.08580	1.8
121.06474	0.3
121.10128	1.7
123.08035	0.5
125.09642	0.5
127.03923	1.1
131.08565	1.4
133.10162	1.4
135.08102	0.4
135.11693	1.3
136.06189	18.5
137.06650	1.7
137.50711	0.3
145.10159	1.1
147.11754	0.9
149.09625	0.6
152.05681	0.6
155.67546	0.3
159.11685	0.4
161.13329	0.3
163.14891	0.4
185.04202	0.4
203.05310	0.4
243.08377	3.1
267.16006	0.6
298.74457	0.3
301.09164	0.4
333.20276	3.0
335.25726	0.5
389.23126	1.2
438.29529	0.3
439.19351	2.4
453.20847	1.7
469.20361	0.6
551.28320	12.8
623.30353	0.3
681.43640	0.5
699.45398	1.2
766.46204	0.3
843.48700	0.3
861.49640	100.0
862.50006	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	860.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	9.7
67.05507	34.8
69.03430	44.1
69.07070	49.3
69.65444	2.8
70.06582	6.4
71.04974	5.8
71.08625	4.3
73.02882	3.5
79.05479	12.9
81.03416	34.0
81.06590	5.9
81.07059	92.9
83.04961	7.4
83.08609	29.2
84.08146	4.2
85.02905	93.2
85.06547	14.7
86.09699	4.4
87.00828	47.7
87.04459	4.5
91.05461	9.0
93.07032	24.8
95.04957	10.9
95.08608	100.0
96.13522	3.1
97.02895	37.9
97.06527	9.6
97.10167	22.0
98.21541	6.5
99.04453	13.9
99.08086	5.3
105.01185	4.8
105.01870	80.3
105.07027	13.2
107.08593	28.2
109.02891	24.7
109.06495	6.8
109.10163	70.2
111.04449	6.8
111.08078	9.6
111.11726	21.4
115.03922	13.9
119.08571	16.6
121.06490	5.7
121.10155	21.2
123.08035	4.4
123.11713	43.6
125.05961	6.0
125.09556	4.0
125.13264	14.8
127.03918	64.4
129.01817	4.8
129.07005	4.5
131.04967	3.0
131.08583	7.2
133.06512	3.4
133.10129	13.6
133.64230	3.2
135.08020	5.6
135.11674	15.2
136.06186	5.8
137.05986	3.9
137.09570	3.3
137.13255	29.3
139.14760	3.2
141.12790	3.3
143.08487	3.1
145.04968	23.0
145.10100	13.8
147.08032	6.2
147.11691	4.9
149.09641	6.1
149.13258	21.6
149.41022	2.7
151.14818	16.6
151.25401	3.3
152.05690	23.8
153.05986	3.4
153.09074	3.4
157.10191	5.3
159.02895	9.5
159.11655	8.1
161.04395	3.9
161.09605	4.0
161.13234	6.2
163.11131	4.9
163.14804	11.2
165.09108	7.4
165.16389	11.3
169.10092	3.4
169.15891	6.9
171.11728	3.5
173.09647	6.5
173.13315	6.5
177.16354	8.1
179.10667	3.2
179.17917	6.3
183.11691	3.3
185.13179	5.5
187.11172	5.4
191.17940	5.6
193.12198	4.3
193.19473	7.6
201.04015	4.9
201.16418	3.0
203.17909	3.6
205.12236	6.7
205.19594	5.4
213.03975	6.2
215.10658	5.3
219.04936	4.3
219.21078	3.4
231.05023	37.4
233.11656	6.4
249.06079	47.0
265.05484	4.7
267.15897	4.4
275.27298	25.8
291.26715	9.9
293.28378	42.7
301.88763	2.9
303.26852	3.0
305.28302	9.6
311.29211	3.2
317.28366	13.0
336.10019	2.9
359.29276	6.8
365.28442	5.6
383.29477	19.7
401.30573	27.7
410.86957	3.4
419.31641	5.6
423.15961	3.2
431.88858	3.9
461.32904	14.4
487.30493	27.7
505.31650	39.8
523.32654	38.5
541.33496	10.5
810.40198	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	859.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.2
63.50441	0.3
65.03947	0.4
65.39499	0.3
67.05508	4.1
68.26780	0.3
69.03436	2.8
69.07066	2.3
71.01354	0.4
71.05000	0.4
73.02924	3.0
79.05496	3.4
79.25892	0.3
81.03424	2.1
81.07061	4.8
83.04987	1.2
83.08633	0.6
83.85821	0.3
85.02911	3.5
85.06587	0.3
87.04447	0.5
91.03972	1.8
91.05477	3.8
93.07064	3.2
95.04988	1.4
95.08612	2.8
97.02902	3.7
97.06557	0.8
97.10234	0.3
98.29105	0.3
99.04476	0.5
101.02409	1.1
105.07041	2.9
105.50736	0.3
107.04993	1.0
107.08616	2.0
109.02892	0.4
109.06534	0.7
109.10166	1.5
110.82502	0.3
111.04518	0.3
117.07054	1.1
119.08613	1.8
121.06531	0.4
121.10178	1.3
123.08150	0.4
123.11732	0.5
127.03922	0.9
129.07037	0.4
129.07913	0.3
131.08588	1.1
133.06541	0.4
133.10153	1.9
135.11751	0.9
137.09673	0.5
143.08611	0.4
145.10139	0.7
147.11748	1.0
151.11241	0.9
157.10139	0.4
159.11681	0.6
161.09660	0.6
163.11218	0.4
165.12927	0.4
185.04259	0.6
193.12271	0.7
229.07803	0.3
237.93562	0.3
243.08408	3.1
275.20071	0.3
301.09030	0.4
313.17993	1.0
315.10587	0.5
331.18842	1.8
333.20480	1.3
355.13898	0.5
389.23306	0.4
439.19357	1.4
451.19727	1.3
453.21259	1.4
469.20547	0.6
531.25818	1.6
549.26807	2.9
551.28333	6.3
623.30365	1.0
761.40594	1.6
770.13239	0.3
841.47180	6.0
842.47644	0.4
859.48065	100.0
860.48242	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	859.4811
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02931	4.2
65.03934	0.5
67.05512	4.8
69.03439	2.9
69.07075	2.5
69.56265	2.5
71.01357	0.4
71.04991	0.5
73.02917	2.9
78.04726	0.4
78.74491	0.4
79.05495	4.2
81.03414	1.7
81.07069	4.5
83.04996	1.2
83.08645	0.8
85.02912	3.8
91.03958	2.1
91.05493	4.4
93.07047	4.0
95.04980	1.4
95.08627	2.4
97.02899	3.5
97.06557	0.9
97.10181	0.5
99.04479	0.7
101.02398	1.3
105.07028	2.6
107.04988	1.0
107.08588	2.4
109.02914	0.6
109.06542	1.3
109.10187	1.5
111.08118	0.5
114.81998	0.3
117.07056	1.0
119.07906	0.3
119.08591	2.1
121.06483	0.5
121.10144	0.8
123.08121	0.5
127.03855	0.6
131.08612	1.4
131.58096	0.3
133.10135	2.5
135.08073	0.5
135.11720	0.8
145.10114	0.6
147.11768	1.0
149.09579	0.4
151.11234	0.7
152.90982	0.4
159.11732	0.4
161.09627	0.5
163.99136	0.4
165.12946	0.4
175.11206	0.9
193.12315	1.1
213.16335	0.4
241.84480	0.4
243.08496	3.1
289.14340	0.4
301.09113	0.6
301.17584	0.4
313.17877	1.1
318.22339	0.4
331.18796	1.9
333.20462	1.6
371.16684	0.6
429.17471	0.4
439.19467	1.0
451.19598	1.4
453.21185	0.6
469.20752	0.4
531.25867	1.9
549.26727	2.7
551.28357	6.9
551.36877	0.3
607.29187	0.9
623.30292	1.1
761.40289	2.3
841.47131	7.0
855.25275	0.4
859.48102	100.0
860.48224	5.6
870.34479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	3.2
65.03935	0.6
67.05513	5.9
69.03437	3.1
69.07076	3.4
69.81160	1.7
69.81563	0.8
71.04990	1.0
72.26958	0.4
73.02921	3.2
78.03986	0.4
79.05497	4.7
81.03430	2.2
81.07068	5.9
83.04993	0.7
83.08632	1.4
85.02906	3.3
91.03961	1.4
91.05482	4.0
93.07053	4.7
95.04989	1.3
95.08622	2.8
97.02907	2.3
97.10179	0.8
98.21456	0.4
99.04456	0.7
101.02407	1.5
105.07045	2.8
107.04975	0.9
107.08605	2.9
109.02863	0.6
109.06540	0.9
109.10161	2.0
111.08092	0.4
115.03979	0.5
117.07027	1.3
119.08609	2.5
121.10170	1.2
125.09679	0.9
127.03934	1.2
129.07057	0.6
131.08568	1.0
133.10143	2.3
135.11757	1.3
143.08720	0.5
145.10130	1.2
147.11726	1.2
151.11285	0.5
159.11786	0.8
163.11261	0.7
171.11719	0.4
185.04359	0.4
223.13193	0.6
243.08502	3.9
291.19623	0.9
301.88690	0.4
315.19492	0.4
331.19135	1.2
333.20425	1.2
335.25897	1.3
387.21701	0.6
439.19684	1.2
453.21234	1.3
469.20313	0.6
488.27820	0.5
499.37943	0.7
501.07153	0.4
517.39093	1.7
549.26935	5.9
551.28363	5.7
640.54407	0.5
859.48145	100.0
860.48462	4.5
894.07465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
65.08501	0.4
69.03407	0.5
69.25457	3.2
79.92573	0.4
84.95999	0.4
85.02875	1.0
91.05451	0.6
96.94534	0.4
97.02860	0.7
97.96796	0.4
98.21515	0.8
98.97578	1.8
99.04434	0.4
110.97565	1.0
114.95555	0.9
116.98599	0.8
117.03381	0.7
119.04842	0.4
124.99097	0.6
127.03891	0.4
128.98573	0.8
132.96597	1.8
137.05972	0.4
138.95554	0.5
143.00153	1.0
145.02803	1.8
146.99672	0.4
147.04436	1.7
156.96608	3.6
158.99593	0.4
160.96181	0.4
161.01180	1.0
170.99654	0.3
172.99722	4.1
174.97636	4.1
177.05510	3.2
178.97165	0.4
180.96582	0.5
181.04898	1.3
182.98170	0.7
185.01343	0.6
186.97647	0.5
187.04541	0.6
188.99260	0.4
191.00813	4.8
192.96916	0.4
192.98677	1.6
196.99675	0.6
198.97659	5.5
199.01274	4.4
200.99248	2.3
202.97182	0.7
203.00674	0.6
203.02309	0.5
204.98700	0.4
206.97964	2.3
209.01711	0.5
210.97665	2.5
212.99249	0.8
215.00749	3.1
215.98164	0.4
216.98769	6.8
217.02303	7.9
219.00180	1.3
219.01968	0.7
223.01282	0.8
224.99196	9.0
226.97302	0.6
227.00813	3.5
228.98743	6.2
231.00275	1.3
233.01884	1.6
234.99757	0.5
235.03383	3.0
236.99203	0.8
237.02995	0.4
239.00757	1.4
240.98811	3.0
241.02333	13.9
243.00284	55.0
244.00548	1.2
245.01819	3.3
246.99767	1.3
249.01302	0.6
252.98511	0.9
253.02243	2.2
255.00264	5.9
255.04228	0.5
257.01843	4.7
257.05487	4.3
258.99847	1.7
259.03412	22.3
261.01331	20.8
262.01846	0.6
265.03156	0.4
265.06052	1.0
266.01923	0.9
267.00311	9.1
267.03842	1.6
269.01840	1.6
270.99866	1.4
271.03430	6.5
273.01312	4.9
273.04547	0.6
275.02927	1.0
275.06561	1.3
277.01434	0.5
277.04514	2.8
278.99649	2.2
279.02682	2.4
281.02493	0.3
281.05420	2.1
282.04684	0.3
283.00195	0.9
283.03485	5.4
283.07050	16.9
284.00491	0.7
285.01334	24.7
285.04938	5.7
286.01880	1.0
287.02841	1.0
289.01147	0.6
289.04492	1.0
291.02383	1.5
293.01892	0.8
295.03351	1.2
297.01355	8.2
297.04971	1.6
298.01639	0.4
299.02954	1.0
299.06470	6.2
301.00824	1.3
301.04532	3.5
301.08047	28.0
302.08353	0.8
303.02408	8.2
303.06055	9.1
307.03461	0.4
308.02988	0.7
309.01343	1.1
309.04941	15.6
310.05405	0.5
311.02927	7.1
312.03613	1.1
313.01059	0.7
313.04431	2.6
313.07840	0.6
315.02441	6.3
315.05917	0.9
317.07666	0.6
319.01901	1.3
319.09158	3.4
321.04828	2.4
321.07578	1.2
323.02783	2.3
324.09732	0.7
325.01108	0.4
325.04492	1.6
325.08176	4.9
327.02393	7.0
327.05969	41.8
328.06348	1.2
329.03931	8.2
329.07571	0.6
330.04672	0.6
333.03375	1.0
337.08002	2.0
339.02463	1.0
339.06052	2.9
341.03995	2.6
341.07501	0.6
343.02188	0.7
343.05548	2.4
343.09244	1.8
345.03387	8.8
345.07123	19.1
347.05011	5.1
350.07681	1.2
353.03891	3.3
355.09311	1.1
357.03378	1.4
357.07214	3.1
359.05011	1.1
361.06628	2.9
363.04453	3.7
363.08252	0.4
365.06104	0.6
369.03281	1.5
369.07169	4.4
371.05014	18.1
372.05322	0.7
381.06866	1.0
383.04907	3.7
387.04028	4.9
387.08344	1.9
389.06009	5.4
399.04172	0.7
399.08667	1.0
401.05978	3.3
401.10489	0.5
402.06387	0.4
405.05481	5.1
407.07828	0.6
411.04190	0.4
413.06018	3.9
414.06293	0.4
417.05463	1.2
419.07553	0.8
421.05365	0.6
423.06653	1.0
425.05884	1.6
429.09491	1.6
431.07104	4.3
443.07153	1.5
447.10764	0.5
449.08170	2.2
467.09393	0.9
473.08356	1.7
473.14969	0.9
491.09259	3.4
509.10580	0.6
533.10107	1.9
545.10620	1.0
563.12500	0.5
571.15527	0.4
593.12354	6.1
611.13556	5.2
633.63666	0.4
697.17419	6.3
739.17743	0.5
859.22400	100.0
860.22589	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	856.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.5
65.03947	3.7
67.05509	66.6
67.07339	1.3
69.03423	4.0
69.07072	16.0
69.31057	10.0
71.04995	5.0
77.03954	1.6
79.05499	42.8
81.03428	4.8
81.07063	60.5
83.04985	5.3
83.08616	11.0
85.02918	4.7
85.06570	1.5
91.03975	1.8
91.05484	34.6
93.07051	53.6
95.05006	6.2
95.08615	42.8
95.09237	1.5
97.02894	5.2
97.06539	12.2
97.10178	15.5
99.08096	1.5
100.07671	1.6
105.04520	2.1
105.07032	20.4
107.04980	4.3
107.08601	30.1
109.06525	10.5
109.10162	51.3
111.08093	6.0
115.05444	1.5
117.07006	14.5
119.08589	30.4
121.06529	3.3
121.10152	18.4
123.08084	25.4
123.11732	4.0
125.09640	11.4
127.03873	1.6
128.06172	1.6
129.07013	4.6
130.07835	1.9
131.08588	13.8
133.06506	3.0
133.10135	16.1
135.08057	9.4
135.11681	7.8
137.09616	12.8
139.07579	1.3
141.07094	1.8
142.07750	2.4
143.08563	7.0
145.06453	2.7
145.10138	14.6
146.08109	1.4
147.08064	4.0
147.11676	10.2
149.09656	4.2
149.13271	4.8
151.07579	7.1
151.11192	2.3
155.08540	3.8
157.10147	8.2
159.08089	10.6
159.11705	10.1
161.09644	7.9
161.13300	3.7
163.07576	1.9
163.11197	3.3
163.14836	2.1
165.09142	3.8
165.12759	1.4
169.10173	5.1
171.10135	1.6
171.11725	2.5
173.09634	38.6
173.13287	4.6
175.11168	3.2
175.14893	2.1
177.09114	1.7
177.12793	1.5
177.93828	1.6
183.08139	2.4
183.11678	3.2
185.09697	2.5
185.13202	2.5
187.11240	2.3
187.14841	1.7
189.11234	5.1
191.10680	1.8
199.11137	1.6
199.14909	2.4
201.09097	1.3
201.16376	1.6
205.12230	2.0
215.17957	4.9
217.15976	2.4
221.15369	2.9
225.16383	3.3
227.12794	4.9
229.14194	1.7
235.14783	1.9
235.16997	2.5
239.16412	4.1
243.17598	7.3
243.21223	2.2
245.15453	4.8
253.15945	4.4
258.81265	1.3
259.20667	1.5
261.18582	8.6
261.22079	6.2
263.16458	12.5
264.84702	1.3
271.16974	17.5
273.18481	2.0
289.17978	21.1
307.03021	1.3
307.19217	6.3
317.24918	1.4
333.23825	1.7
335.22363	4.3
335.25806	80.8
337.20071	5.3
345.20740	9.4
353.27145	1.4
363.21637	16.0
381.22720	24.4
503.37253	4.0
505.35245	2.4
539.42358	1.6
581.82550	1.4
595.43652	7.4
597.41803	9.7
605.41962	8.3
615.42615	6.3
623.33466	2.9
623.43097	45.8
629.40649	1.4
641.44159	100.0
642.44391	2.1
659.45288	8.2
667.81195	1.4
785.48969	1.9
803.48981	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.2
65.03933	4.3
67.05508	94.7
69.03434	12.8
69.07070	47.3
69.33253	1.2
69.64565	6.9
70.06585	4.9
71.01369	1.7
71.05008	8.5
73.02915	1.8
73.73009	1.2
76.77367	1.3
77.03913	1.6
79.05495	76.1
81.03423	13.8
81.07057	100.0
83.04986	18.7
83.08621	20.3
85.02912	9.2
85.06534	4.5
91.05483	63.6
93.07046	84.7
95.04969	15.8
95.08608	47.9
97.02885	5.4
97.06530	23.2
97.10165	16.8
99.04459	2.3
99.08094	3.5
103.05486	2.4
105.04531	2.1
105.06309	1.6
105.07034	57.3
107.04955	14.7
107.08596	57.9
109.02856	2.1
109.06527	10.8
109.10161	17.5
111.04443	1.7
111.08076	9.7
113.06028	1.5
113.09648	2.3
115.05471	3.1
116.06237	1.7
116.07092	3.6
117.06226	2.0
117.07018	26.6
119.08585	43.7
121.06528	8.5
121.10149	27.2
123.08057	5.6
123.11703	7.5
125.09629	15.8
127.03922	4.6
129.05472	2.5
129.07013	10.9
130.07843	1.7
131.04924	1.4
131.08566	32.5
133.06476	2.9
133.10133	33.8
135.08054	8.4
135.11699	22.6
137.09608	6.1
137.13289	1.6
139.11172	3.8
141.07004	2.6
142.07748	1.3
142.37961	1.5
143.08586	9.0
144.09242	1.4
145.06516	3.2
145.10133	29.4
147.08105	3.3
147.11688	18.6
149.09618	20.8
149.13266	17.5
151.11217	4.0
153.06866	2.1
153.09109	2.0
155.08594	7.0
156.09308	1.5
157.10091	7.1
159.07971	1.5
159.11700	26.0
161.09641	2.8
161.13257	8.1
163.11227	12.7
165.12695	2.3
167.08578	1.5
167.27330	1.2
169.10129	7.8
171.10330	1.9
171.11653	8.5
173.04482	3.0
173.09604	2.3
173.13243	8.2
175.11176	3.0
175.14781	1.7
177.12721	8.0
179.14294	5.7
181.10046	1.4
181.12262	3.8
182.10841	1.4
183.11653	7.3
185.13278	4.4
187.11166	2.6
187.14818	3.1
189.11272	7.2
189.12685	1.9
191.10573	1.7
195.12053	2.4
195.13829	10.2
197.13268	5.1
199.14816	2.3
201.12898	2.3
209.13330	1.7
211.14967	3.0
213.16498	2.0
215.14435	1.8
217.15898	1.3
227.12796	21.0
229.14290	3.3
229.19481	2.4
233.15424	2.0
235.16995	1.6
239.17973	5.5
245.13628	2.4
247.20554	3.2
251.16370	2.1
253.14180	2.6
253.18083	2.0
255.15872	16.6
257.19019	16.8
267.15906	4.0
269.17480	54.3
273.18243	1.3
275.20074	63.7
276.20248	1.8
277.21603	1.7
287.16028	1.3
291.19537	1.4
293.17496	1.3
293.21094	5.6
313.21643	1.9
321.24274	1.7
331.22656	4.8
349.23740	62.3
367.24863	8.6
367.28714	1.4
413.21725	2.2
423.27472	2.4
431.28052	2.4
434.34433	1.3
435.27295	2.3
439.26727	2.8
445.29401	4.0
447.31030	1.9
449.28998	24.3
463.30521	28.9
503.33554	1.5
511.34232	1.4
515.37122	2.1
519.33044	1.8
525.36084	7.3
527.36792	1.5
529.35339	15.0
543.36823	61.4
544.36963	1.8
561.37646	9.1
607.34814	2.7
623.43115	11.6
641.44360	6.7
661.97260	1.3
676.43903	1.5
677.90826	1.3
687.41046	1.9
705.66809	1.4
856.44141	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.0
63.79891	0.7
65.03947	2.4
67.05508	100.0
69.03433	3.8
69.07072	17.7
71.01360	1.4
71.05006	3.0
73.02923	2.9
76.20074	0.6
79.05498	41.1
81.03432	8.7
81.07061	59.4
82.80711	0.7
83.04981	6.8
83.08626	15.0
85.02906	12.3
85.03373	1.3
85.06554	2.8
87.04469	5.1
91.03950	1.2
91.05485	23.0
93.07049	38.6
95.04976	6.6
95.08611	39.7
97.02905	5.8
97.06542	5.4
97.10176	15.3
99.08101	1.9
103.03983	1.3
103.05431	1.0
105.04546	1.1
105.07039	16.6
105.07768	0.8
107.04954	2.0
107.08600	24.3
109.06541	3.2
109.10163	59.9
111.04463	2.2
111.08100	3.9
114.24461	0.7
115.05453	0.8
117.07021	7.0
119.08590	15.6
121.10158	16.8
123.08101	2.6
123.11719	4.1
125.09631	15.7
129.05528	3.0
129.06990	1.5
131.08566	9.9
133.10152	8.3
135.08093	1.6
135.11697	13.4
137.09576	3.4
137.13321	1.1
139.11191	1.1
143.08601	1.6
143.10750	2.3
144.92937	0.8
145.10138	9.9
147.08092	0.9
147.11710	6.2
149.09654	1.0
149.13268	5.6
151.11186	1.0
153.12778	2.9
155.08638	1.4
155.10661	5.2
157.10178	1.5
159.11696	6.2
161.13277	4.8
163.11211	7.9
163.14865	2.2
165.12782	1.1
171.11693	2.1
173.09572	1.2
173.10094	0.8
173.11792	13.8
173.13332	5.9
175.11157	0.9
175.14832	1.5
177.16431	0.9
181.10147	0.7
181.12257	3.7
185.11775	1.1
185.13309	1.4
187.14899	2.8
189.11314	1.5
191.10828	1.6
191.14410	1.0
193.12340	2.2
199.13283	7.5
199.14694	0.8
201.16505	0.9
209.11758	5.9
211.13332	1.1
217.14528	1.0
226.03725	0.8
227.12802	8.7
229.14363	47.9
240.28276	0.8
243.21126	4.7
259.20761	1.0
261.22150	13.9
267.16071	3.0
283.15530	2.0
297.21887	0.9
301.16452	14.8
301.19540	0.9
315.23294	1.1
317.24872	2.1
327.23239	1.3
333.24158	1.1
335.25815	80.2
336.26382	1.2
363.25366	1.4
397.31320	1.0
399.23804	16.5
399.28741	1.2
459.34647	1.0
472.58438	0.9
477.35715	6.2
489.35785	17.6
497.11786	0.8
517.34723	0.8
543.37207	2.6
561.37750	6.3
579.39093	4.2
659.45148	19.6
660.45508	1.1
753.25787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.0
65.03927	4.6
67.05512	94.6
69.03437	12.7
69.07076	58.8
69.07459	2.3
69.25250	2.6
69.25655	10.7
70.06578	3.8
71.04996	7.9
73.02921	2.3
73.06527	1.2
76.36755	1.2
77.03920	1.7
77.09481	1.4
79.05501	87.8
81.03426	16.5
81.07065	100.0
83.04986	18.6
83.08629	22.9
85.02930	8.2
85.06532	5.7
91.05491	79.2
93.07056	73.5
95.04977	14.6
95.08617	46.8
97.02884	5.0
97.06541	26.5
97.10185	30.4
99.04458	4.4
99.08063	4.3
103.05480	2.5
105.04560	1.7
105.07043	60.1
107.04961	14.7
107.07875	3.3
107.08604	63.9
109.02871	3.7
109.06548	11.9
109.10173	24.9
111.04421	3.0
111.08113	8.6
113.09675	1.9
115.05451	5.6
116.07058	2.6
117.07032	29.4
117.18584	1.3
118.08678	1.5
119.04913	2.2
119.08595	43.6
119.68232	1.4
121.06522	7.9
121.10162	27.5
123.08099	6.8
123.11690	6.4
125.09643	28.7
127.03912	4.5
128.06204	3.6
129.05507	2.4
129.07004	12.8
130.07790	2.2
131.08574	33.9
133.06490	3.8
133.10141	42.0
135.08067	10.4
135.11694	21.9
137.09636	5.2
137.13304	1.6
141.06996	5.4
143.08571	13.5
145.04933	2.2
145.06506	3.8
145.09058	1.9
145.10141	32.3
147.08098	2.6
147.11687	20.8
149.09627	25.4
149.13275	12.3
151.11176	4.0
153.09145	2.7
154.07800	1.6
155.08543	6.9
157.10143	11.2
159.08018	1.6
159.11717	25.9
161.09576	3.7
161.13281	9.5
163.11185	19.1
165.12770	3.4
167.08557	2.0
169.10175	7.1
171.08154	1.5
171.10144	4.2
171.11681	9.8
173.04443	2.6
173.13292	11.9
173.48482	1.5
175.11185	3.8
175.14734	1.9
177.12782	8.9
179.14299	6.0
181.10100	3.1
181.12202	2.2
183.11725	6.9
185.13313	5.1
187.11200	3.6
187.14856	2.3
189.11223	15.0
189.12737	2.1
189.16481	1.5
193.10201	1.4
193.12265	2.3
195.11832	2.4
195.13820	6.6
197.13298	5.7
203.14285	2.2
205.12102	1.4
211.14873	3.4
222.82751	1.6
227.12784	38.3
229.14357	4.3
229.19499	5.9
239.17973	7.8
241.10677	1.7
245.13828	5.3
247.20596	4.0
253.17960	3.8
255.15894	12.2
257.19064	16.0
259.20398	1.4
267.15802	3.3
269.17468	31.8
273.18536	2.4
275.20084	78.5
276.20663	1.9
279.16153	1.5
285.82965	1.5
293.21100	5.5
315.23264	1.6
321.24234	3.9
331.22641	4.9
339.23135	1.7
349.23761	73.5
367.24805	6.1
389.18042	1.5
413.21597	3.3
415.29648	1.6
421.25552	1.6
423.27325	2.9
433.30698	1.7
439.26764	3.5
445.29803	2.7
447.31302	1.9
449.29095	6.7
463.30811	9.0
469.33264	2.1
503.33554	3.3
511.34357	2.1
515.37079	2.2
519.33331	7.0
525.35962	6.9
527.37427	2.8
529.35284	11.9
543.36847	51.8
561.38000	7.3
623.43042	21.5
641.44263	10.3
676.44061	1.6
687.40900	2.5
756.25549	1.6
785.47522	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.2
65.03933	4.3
67.05508	94.7
69.03434	12.8
69.07070	47.3
69.33253	1.2
69.64565	6.9
70.06585	4.9
71.01369	1.7
71.05008	8.5
73.02915	1.8
73.73009	1.2
76.77367	1.3
77.03913	1.6
79.05495	76.1
81.03423	13.8
81.07057	100.0
83.04986	18.7
83.08621	20.3
85.02912	9.2
85.06534	4.5
91.05483	63.6
93.07046	84.7
95.04969	15.8
95.08608	47.9
97.02885	5.4
97.06530	23.2
97.10165	16.8
99.04459	2.3
99.08094	3.5
103.05486	2.4
105.04531	2.1
105.06309	1.6
105.07034	57.3
107.04955	14.7
107.08596	57.9
109.02856	2.1
109.06527	10.8
109.10161	17.5
111.04443	1.7
111.08076	9.7
113.06028	1.5
113.09648	2.3
115.05471	3.1
116.06237	1.7
116.07092	3.6
117.06226	2.0
117.07018	26.6
119.08585	43.7
121.06528	8.5
121.10149	27.2
123.08057	5.6
123.11703	7.5
125.09629	15.8
127.03922	4.6
129.05472	2.5
129.07013	10.9
130.07843	1.7
131.04924	1.4
131.08566	32.5
133.06476	2.9
133.10133	33.8
135.08054	8.4
135.11699	22.6
137.09608	6.1
137.13289	1.6
139.11172	3.8
141.07004	2.6
142.07748	1.3
142.37961	1.5
143.08586	9.0
144.09242	1.4
145.06516	3.2
145.10133	29.4
147.08105	3.3
147.11688	18.6
149.09618	20.8
149.13266	17.5
151.11217	4.0
153.06866	2.1
153.09109	2.0
155.08594	7.0
156.09308	1.5
157.10091	7.1
159.07971	1.5
159.11700	26.0
161.09641	2.8
161.13257	8.1
163.11227	12.7
165.12695	2.3
167.08578	1.5
167.27330	1.2
169.10129	7.8
171.10330	1.9
171.11653	8.5
173.04482	3.0
173.09604	2.3
173.13243	8.2
175.11176	3.0
175.14781	1.7
177.12721	8.0
179.14294	5.7
181.10046	1.4
181.12262	3.8
182.10841	1.4
183.11653	7.3
185.13278	4.4
187.11166	2.6
187.14818	3.1
189.11272	7.2
189.12685	1.9
191.10573	1.7
195.12053	2.4
195.13829	10.2
197.13268	5.1
199.14816	2.3
201.12898	2.3
209.13330	1.7
211.14967	3.0
213.16498	2.0
215.14435	1.8
217.15898	1.3
227.12796	21.0
229.14290	3.3
229.19481	2.4
233.15424	2.0
235.16995	1.6
239.17973	5.5
245.13628	2.4
247.20554	3.2
251.16370	2.1
253.14180	2.6
253.18083	2.0
255.15872	16.6
257.19019	16.8
267.15906	4.0
269.17480	54.3
273.18243	1.3
275.20074	63.7
276.20248	1.8
277.21603	1.7
287.16028	1.3
291.19537	1.4
293.17496	1.3
293.21094	5.6
313.21643	1.9
321.24274	1.7
331.22656	4.8
349.23740	62.3
367.24863	8.6
367.28714	1.4
413.21725	2.2
423.27472	2.4
431.28052	2.4
434.34433	1.3
435.27295	2.3
439.26727	2.8
445.29401	4.0
447.31030	1.9
449.28998	24.3
463.30521	28.9
503.33554	1.5
511.34232	1.4
515.37122	2.1
519.33044	1.8
525.36084	7.3
527.36792	1.5
529.35339	15.0
543.36823	61.4
544.36963	1.8
561.37646	9.1
607.34814	2.7
623.43115	11.6
641.44360	6.7
661.97260	1.3
676.43903	1.5
677.90826	1.3
687.41046	1.9
705.66809	1.4
856.44141	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	855.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	0.3
69.03417	0.6
71.56083	0.3
73.09126	0.2
77.80290	0.2
79.05496	0.4
80.05012	0.3
81.03413	0.6
82.06580	0.3
82.70337	0.2
85.02901	0.7
89.03920	0.5
91.05461	0.3
93.07057	0.6
94.06571	1.0
95.04956	0.4
95.07335	0.3
96.08138	1.9
97.02876	0.6
97.06531	1.6
103.05467	0.5
106.06575	0.3
108.04464	1.0
108.08112	1.2
110.06042	1.2
110.09674	1.7
110.95433	0.3
116.04978	1.1
120.08078	1.7
122.06040	4.6
124.07588	1.8
127.03874	0.2
131.04880	0.6
132.04469	0.3
132.78156	0.3
134.06041	0.6
135.06776	0.2
136.07584	3.2
137.06053	0.4
138.05504	0.6
138.09148	3.5
144.04443	3.3
144.08173	0.3
146.05983	1.8
148.07561	1.4
149.07101	0.7
150.05502	1.9
150.09155	0.6
152.07068	2.1
158.06020	0.3
158.09639	0.9
160.03981	0.3
160.07594	1.0
160.09944	0.6
162.05511	1.7
162.09103	0.3
164.07057	0.4
166.05045	0.3
166.08633	4.4
170.09669	0.7
172.03940	22.7
172.07385	0.5
172.11221	0.3
174.05504	0.5
174.09146	0.6
174.11501	0.3
175.08641	0.6
175.12306	1.3
176.07063	0.3
176.09460	0.3
177.06566	0.4
178.04958	0.8
185.08380	0.3
185.10793	0.3
186.09152	4.7
187.08658	1.1
188.03435	0.4
188.07089	0.6
188.09335	0.6
189.10371	0.4
190.04961	3.6
196.07574	0.7
197.08298	0.3
198.09166	0.8
200.07124	0.5
200.10802	1.4
201.10233	0.7
202.08766	0.5
202.11006	2.8
203.08263	0.3
203.11797	5.9
204.06566	40.2
206.08244	0.4
209.10838	0.3
210.09044	0.3
211.08777	0.4
212.10907	0.4
213.10179	1.9
214.08627	10.6
215.08145	4.1
216.06639	0.3
216.08749	0.4
217.09789	1.0
218.10576	0.2
224.06866	0.3
225.10219	0.5
227.08066	0.7
227.11661	1.5
228.10199	3.9
229.09659	2.0
229.13329	0.5
230.10518	1.0
231.11296	6.3
232.09653	0.3
237.10269	0.6
238.08513	0.3
239.11737	0.8
240.08804	0.3
241.09741	3.0
242.08138	2.7
243.11311	0.5
245.09242	0.9
245.12871	0.9
246.09860	0.3
247.10855	1.4
251.08188	0.3
252.09088	0.3
253.09691	0.5
255.11273	5.1
256.09741	4.2
257.09335	0.8
257.12845	1.6
258.10059	0.8
259.10785	89.8
260.11212	1.1
265.09741	1.5
267.11227	1.1
269.12567	0.4
271.10803	0.7
272.11569	0.5
273.12344	7.7
279.11215	0.6
283.10742	4.1
284.09140	0.4
285.12280	1.3
287.10294	0.6
293.09204	1.0
295.10785	1.0
297.12338	1.1
300.10876	0.3
301.11835	77.6
302.12268	0.9
303.13354	1.0
307.10831	0.4
311.10239	0.6
313.11859	0.8
319.12885	100.0
320.13324	1.1
321.08670	0.4
323.10211	0.3
325.11832	4.2
329.11444	0.4
329.14972	0.9
334.09116	0.5
335.12378	1.0
337.13943	54.4
338.14398	0.5
339.09784	2.5
339.13443	0.5
341.11356	0.4
343.13000	0.6
357.10818	0.7
357.14490	12.8
358.15112	0.8
359.16058	0.9
371.12411	2.8
373.14001	0.9
389.13385	1.1
478.19284	0.3
487.17068	3.0
492.17587	0.3
496.17340	0.4
504.17572	1.1
519.19940	1.3
522.18457	0.5
536.20160	1.6
625.22534	0.7
643.23889	0.9
657.25421	0.8
661.24872	0.9
675.26715	0.9
693.27191	0.7
757.12427	0.3
855.31964	0.8
881.27942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03050	0.9
65.03942	5.5
67.05506	79.6
68.05815	1.0
69.03429	9.4
69.07069	31.3
71.04994	6.9
71.08621	1.2
73.02901	1.4
73.06563	1.4
79.05495	57.5
81.03422	14.8
81.07059	83.3
83.04981	16.7
83.08615	12.0
85.02908	4.1
85.06535	6.9
87.04466	1.7
89.06028	1.7
91.05482	73.4
93.07046	58.9
95.04983	13.2
95.08608	32.2
95.09118	0.6
95.09231	1.0
97.02885	3.9
97.06534	15.3
97.10176	3.7
97.67944	1.0
97.91699	0.9
99.04441	3.5
99.08080	2.6
103.05464	3.4
105.04509	1.6
105.07030	63.0
107.04952	14.1
107.08593	50.1
109.02858	2.1
109.06523	12.1
109.10159	47.5
111.04509	1.3
111.08070	5.9
113.05987	3.3
113.09610	1.9
115.05484	2.4
116.06204	1.3
117.07018	18.1
119.04963	1.2
119.06030	1.1
119.08585	28.3
121.06516	11.9
121.10146	14.9
123.04463	1.6
123.08064	5.8
123.11715	11.4
125.05981	1.5
125.09652	4.6
127.03904	3.1
127.07542	2.3
128.06226	3.6
129.05482	2.6
129.06998	6.7
131.08575	22.2
133.06464	4.5
133.10133	69.0
135.08075	9.3
135.11676	12.9
137.09645	4.0
141.06967	3.7
143.08553	6.8
145.06456	2.4
145.10133	16.2
147.08075	3.9
147.11685	9.6
149.09607	19.3
149.13266	6.1
151.11179	30.5
152.05695	2.9
153.09105	1.2
155.08588	3.0
157.10126	5.2
159.08046	2.6
159.11705	11.6
161.09599	6.8
161.13278	4.8
163.11217	8.3
165.09138	1.2
165.12727	2.5
169.10117	3.0
169.12224	6.3
171.10405	1.0
171.11647	5.2
173.04436	1.1
173.13303	4.5
175.11176	4.0
175.14838	1.8
177.09140	2.4
177.12732	4.0
179.10701	2.8
179.14311	3.1
181.10165	1.8
181.12141	1.9
183.11659	2.6
185.09601	1.3
185.13274	2.8
187.11214	2.7
187.14943	2.0
189.11189	2.4
189.12744	1.4
192.49469	1.0
193.12209	1.1
195.11812	1.0
195.13783	4.3
197.13303	2.3
201.12741	1.5
213.16415	1.3
215.12718	4.8
217.12169	1.0
218.69830	1.1
221.15221	1.1
223.13274	1.0
227.12790	5.1
229.14252	1.3
229.19496	1.2
231.17500	1.4
239.18008	1.8
245.19040	2.9
247.20473	2.1
251.12761	2.5
253.14362	100.0
254.14677	1.3
255.15941	4.6
257.18921	6.8
263.20056	3.6
267.15787	2.5
269.17487	15.9
271.15448	2.9
273.18484	24.1
275.20062	24.7
291.19550	22.7
293.21228	1.6
309.20535	3.6
335.25995	1.0
339.17783	1.0
347.22232	9.9
349.23688	21.9
365.23227	34.3
367.24777	3.0
413.21909	1.1
447.27319	6.1
451.26843	4.4
463.26535	1.3
465.28525	10.0
476.62759	1.0
527.33868	6.1
541.35016	6.0
545.34784	25.7
559.36340	44.2
560.36481	1.4
591.31354	1.2
621.41382	4.1
639.42480	16.4
657.43665	6.0
703.40289	1.6
854.46094	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74533	0.9
60.03421	0.9
61.02923	2.3
64.66120	0.9
65.03938	4.5
67.05511	69.2
69.03440	14.8
69.07079	44.0
69.25565	1.9
69.25970	8.3
69.87034	1.0
71.05042	4.7
71.08609	0.9
73.02914	2.4
77.03930	1.3
79.05500	58.8
81.03429	15.0
81.07066	73.0
83.04995	12.3
83.08625	18.1
85.02914	4.3
85.06559	5.2
86.89064	0.9
91.05491	56.7
93.07056	61.9
95.01311	1.1
95.04974	15.6
95.08615	32.9
97.02899	13.4
97.06540	14.8
97.10176	14.2
99.04465	1.5
99.08083	2.6
103.05465	1.4
105.04565	1.5
105.07039	47.2
107.04966	13.1
107.08607	42.7
108.05738	1.1
109.02863	2.4
109.06511	8.8
109.10159	27.9
110.10531	1.2
111.04479	1.4
111.08086	5.5
113.06038	1.0
113.09661	1.1
115.05442	3.0
117.07043	16.8
119.04950	1.5
119.08593	26.1
121.06490	8.8
121.10155	17.3
123.04433	1.1
123.08101	6.9
123.11719	5.5
125.09653	11.7
127.03935	2.0
128.06235	2.7
129.05577	1.2
129.07007	7.7
130.07808	1.9
131.08588	23.0
133.06476	5.1
133.10143	43.7
134.07269	1.5
135.08090	10.7
135.11699	14.3
137.09621	4.9
139.07565	1.5
141.07018	1.5
142.07806	1.6
143.08578	7.5
144.09444	1.1
144.30238	1.0
145.06494	1.7
145.10126	16.9
147.08043	7.5
147.11703	9.3
149.09644	12.5
149.13281	8.5
151.11208	13.0
153.09187	1.3
155.08539	2.5
157.10143	6.9
159.08067	2.7
159.11719	13.4
160.73273	1.0
161.09630	5.5
161.13290	4.4
163.11224	8.9
165.09129	1.5
165.12785	1.8
169.12274	3.0
171.08038	1.2
171.10332	1.3
171.11690	5.8
173.04414	1.7
173.09631	2.0
173.11876	1.1
173.13269	4.2
175.11218	3.7
177.09099	1.7
177.12814	5.7
179.10696	1.3
179.14311	2.1
181.09999	1.0
181.12355	1.7
183.11720	2.8
185.13200	2.3
187.11215	2.0
189.11284	5.3
189.12740	1.1
189.18213	1.1
191.14406	1.2
193.12317	1.6
195.11934	1.8
195.13863	5.7
197.13266	1.9
201.12845	1.2
205.12204	1.9
207.13704	1.5
209.13202	1.1
215.12772	1.6
219.13882	1.2
223.13339	15.8
227.12788	11.4
227.17982	1.6
229.14264	1.2
229.19476	1.8
235.17348	1.1
239.18051	2.1
245.19063	3.8
247.20653	2.5
249.14894	3.6
251.12677	1.7
253.14357	27.6
255.15614	6.3
257.19061	5.7
263.20090	1.8
267.15997	2.3
269.17487	33.0
271.15515	2.4
273.18509	22.5
275.20096	26.8
283.15320	1.4
291.19565	100.0
292.19989	1.7
293.21381	2.0
298.90991	1.1
309.20721	3.0
311.25821	2.2
331.22562	1.8
347.22159	8.0
349.23795	17.9
365.23282	53.6
367.24841	4.0
405.13831	1.2
420.71719	1.1
447.27527	2.2
451.26410	1.6
461.28607	1.6
465.28516	4.0
479.30051	1.4
485.32397	1.5
527.33539	2.2
541.35321	6.3
545.26813	1.8
545.34863	24.2
559.36365	83.1
560.36664	2.8
613.35455	1.1
621.41223	2.6
639.42596	23.6
657.43329	3.0
682.34595	1.2
703.40332	2.0
838.75403	1.1
854.46283	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	854.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	1.0
61.15688	0.6
61.63321	0.7
65.03934	2.5
66.33413	0.6
67.05508	51.5
69.03434	12.6
69.07070	37.2
71.08613	0.6
71.19997	0.8
73.02908	1.4
77.03928	0.8
79.05495	46.5
81.02970	1.0
81.03419	9.4
81.07059	51.2
83.04990	9.1
83.08620	17.1
85.02900	3.7
85.06545	2.5
91.05483	39.5
92.05811	0.6
93.07048	40.1
94.04215	1.0
94.07398	0.7
95.01332	1.3
95.04972	13.5
95.08608	24.5
97.02892	9.8
97.06535	11.3
97.10174	18.9
99.04445	1.2
99.08093	2.0
103.05447	1.5
105.04530	1.3
105.07034	33.6
107.04959	13.7
107.08598	31.7
109.02877	1.9
109.06525	5.5
109.10154	14.3
111.04424	1.3
111.08084	4.2
113.06007	1.1
113.09673	0.8
115.05458	2.2
116.06250	1.4
117.07022	16.8
119.04932	1.7
119.08588	23.5
120.05713	0.6
121.06527	7.1
121.10146	11.8
123.04397	1.1
123.08072	5.5
123.11710	2.2
125.08755	1.2
125.09637	17.1
127.03877	2.9
128.06212	1.9
129.07018	5.5
130.07826	1.6
131.08574	16.2
133.06508	5.3
133.10136	16.8
134.07339	0.6
135.08052	6.4
135.11707	7.4
137.06003	0.7
137.09599	3.5
139.11194	0.8
141.06972	2.0
142.07738	0.8
143.08571	5.4
143.10674	0.9
144.09384	0.7
145.06519	2.0
145.10139	15.0
147.08051	6.2
147.11682	9.4
149.09630	12.2
149.13231	5.7
151.11212	3.5
153.09084	2.0
153.12718	0.7
155.08574	1.8
157.10141	3.9
159.08020	1.3
159.10464	0.8
159.11702	9.5
159.14844	0.6
161.09653	3.9
161.13246	4.1
162.10439	1.0
163.11185	6.6
165.09106	2.1
169.10190	2.2
169.12193	1.0
171.10342	1.1
171.11691	4.0
173.04449	1.0
173.09674	0.9
173.11850	1.2
173.13274	4.9
175.11224	3.0
175.14783	0.6
177.12732	3.1
179.10750	0.8
179.14308	1.7
181.12100	0.6
183.11673	1.3
185.13242	1.4
187.11185	1.6
189.11264	7.9
189.12787	1.5
193.12218	1.1
195.06477	0.7
195.11874	0.7
195.13802	3.3
197.13194	1.6
199.11189	0.9
199.14970	0.9
205.12253	2.7
205.14105	0.8
211.14906	1.1
223.13289	19.0
223.15446	1.3
227.12784	21.7
227.14925	1.3
227.17821	0.9
229.14188	1.0
229.19514	1.9
239.17935	2.3
243.54701	0.6
245.13899	1.1
245.19038	2.2
247.20650	1.3
249.14767	3.3
253.14314	4.9
255.15662	3.8
257.19077	6.8
261.14844	0.7
263.20093	1.3
267.15921	1.5
269.14847	1.1
269.17462	10.9
273.18497	15.4
275.20068	26.6
277.98825	0.7
286.66742	0.7
291.19547	100.0
292.19821	1.9
293.21085	2.0
309.20593	1.1
313.21713	0.7
321.24292	1.1
331.22641	3.2
337.15823	0.7
347.22086	2.2
349.23746	26.5
365.23251	43.4
366.23199	0.8
367.24789	1.5
372.59009	0.7
413.21777	1.1
435.23807	0.9
461.28821	2.2
519.33276	2.9
535.32581	3.6
541.34985	1.8
543.36713	2.0
545.34656	9.1
559.36383	33.5
599.39404	0.8
621.41278	3.1
639.42590	40.3
657.43579	3.1
679.37274	0.8
703.40808	0.8
854.45447	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	854.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	1.3
65.03940	4.0
67.05505	85.2
68.05835	1.0
69.03430	11.9
69.07067	32.4
69.18806	4.2
69.19238	6.3
71.05004	7.7
71.08642	1.2
77.03909	1.7
79.05492	55.8
81.03423	10.7
81.07056	88.6
83.04978	16.5
83.08624	12.7
85.02903	3.1
85.06540	6.2
91.05480	71.8
93.07043	65.4
93.16708	1.1
95.04980	15.7
95.08606	32.8
97.02879	3.2
97.06535	12.8
97.10154	3.7
98.20708	2.1
99.04478	2.1
99.08113	2.8
103.05462	2.3
105.04522	1.1
105.07034	61.6
107.04954	12.1
107.08595	47.9
109.02876	1.2
109.06523	10.4
109.10159	50.5
111.04435	1.8
111.08065	6.4
113.00008	2.0
113.06020	2.7
115.05450	2.0
116.06215	1.2
117.07016	16.5
119.04967	1.7
119.08584	24.6
121.06503	10.9
121.10144	15.9
123.04465	1.8
123.08057	6.4
123.11692	9.8
125.09633	3.4
127.03896	3.1
127.07564	3.2
128.06238	2.6
129.05579	1.1
129.07042	6.4
130.07761	1.6
131.08574	21.4
133.06499	7.0
133.10130	73.9
134.10541	1.2
135.08070	10.7
135.11717	12.6
137.05972	2.2
137.09645	2.5
143.08554	8.1
145.06453	1.4
145.10121	14.0
147.08064	5.1
147.11705	10.4
149.09616	14.9
149.13268	7.0
151.11182	29.3
152.05690	3.7
155.08543	1.7
157.10165	7.0
159.08081	2.2
159.11665	10.6
161.09610	7.6
161.13281	4.1
163.11172	6.1
169.10170	2.0
169.12195	5.3
171.11691	4.8
173.04387	1.9
173.09639	1.5
173.13254	4.7
175.11205	4.0
177.09192	2.2
177.12764	4.0
179.10713	3.0
179.14261	1.2
181.12201	2.0
183.11729	3.2
185.09508	1.3
185.13286	3.6
187.11127	2.4
189.11272	1.4
189.12801	1.5
195.11740	1.7
195.13875	3.3
197.11713	1.6
199.14941	1.5
201.16328	1.2
202.04399	1.1
213.16411	1.2
215.12730	5.9
219.13751	1.2
223.13177	1.3
227.18031	1.9
233.19232	1.1
239.17963	2.0
245.19121	4.5
247.20766	1.2
251.12930	1.9
253.14357	100.0
255.15955	4.4
257.19089	4.9
263.20123	2.9
269.17502	21.6
271.15338	5.2
273.18512	22.8
275.20059	20.6
291.19568	30.3
291.22836	2.3
292.19940	2.9
293.20947	1.6
309.20496	2.3
329.21271	1.3
331.22833	1.6
347.22144	10.8
349.23755	16.7
349.27728	2.1
354.76321	1.1
365.23254	31.4
366.23456	2.3
367.24573	3.7
404.96262	1.1
413.21979	1.3
417.00974	1.3
447.27301	5.8
451.26987	3.5
463.27084	2.2
465.28552	13.4
501.32626	1.1
527.33759	4.4
541.35181	6.3
545.34723	20.1
559.36359	50.9
621.40802	1.7
639.42383	10.3
657.43445	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	854.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02642	1.3
61.02929	18.0
65.03922	2.9
67.05507	97.3
69.03429	5.2
69.06728	1.2
69.07066	16.3
71.01354	2.1
71.04999	6.0
73.02920	8.4
77.03903	1.0
79.05493	40.1
81.03423	15.5
81.07060	68.6
83.01324	1.1
83.04990	10.9
83.08147	1.3
83.08624	22.0
85.02907	31.2
85.06526	3.7
87.04454	5.1
91.03957	12.7
91.05484	26.8
93.07044	41.4
95.04967	9.1
95.08610	20.4
97.02895	16.9
97.06535	10.4
97.10173	13.1
99.04443	3.2
99.08073	2.2
103.03946	1.5
105.04519	1.0
105.07027	11.6
107.04952	4.9
107.08599	29.2
109.02846	2.0
109.06506	3.3
109.10159	53.6
111.04440	1.9
111.08076	6.9
115.03892	0.9
116.04713	1.7
117.07007	9.8
119.08582	11.7
121.06483	2.9
121.10150	10.9
123.08043	2.9
123.11726	4.2
125.09631	12.4
127.03937	5.5
129.05463	5.4
129.07001	2.6
131.08583	8.2
133.10153	11.2
135.08051	2.4
135.11702	9.9
137.09602	3.7
143.07014	1.0
143.08580	1.2
143.10648	2.2
145.05014	4.5
145.05980	0.8
145.10089	5.8
146.08070	1.5
147.11707	5.3
149.09615	2.6
149.13272	10.0
151.11185	1.3
153.12737	2.6
155.10641	5.1
157.10164	2.6
159.10500	0.8
159.11702	7.4
163.06038	6.1
163.11185	8.5
165.12762	4.5
169.12204	1.1
173.09541	1.5
173.11757	13.0
175.11218	1.1
177.12744	2.1
177.51454	0.9
181.12260	3.4
185.11691	1.5
189.11237	1.8
191.10634	2.8
193.12175	6.0
195.13820	11.3
199.13281	6.3
201.09883	0.8
209.11685	6.5
211.13289	5.7
211.91695	0.9
213.14796	1.9
227.12790	10.3
229.14352	44.0
239.16403	5.2
265.14267	1.8
267.13345	1.2
267.15948	11.9
269.17487	50.3
283.15378	7.1
285.16959	1.9
301.16458	15.8
313.16434	2.3
323.18536	1.0
332.46457	0.9
339.23193	1.1
357.24414	1.2
393.26392	2.5
411.27209	5.1
423.21683	1.9
423.27426	37.4
431.27979	5.3
449.28824	3.6
477.28455	5.7
495.29550	100.0
496.29971	1.9
513.30688	27.0
514.31085	1.4
657.34631	1.2
785.39771	1.0
819.24860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02642	1.3
61.02929	18.0
65.03922	2.9
67.05507	97.3
69.03429	5.2
69.06728	1.2
69.07066	16.3
71.01354	2.1
71.04999	6.0
73.02920	8.4
77.03903	1.0
79.05493	40.1
81.03423	15.5
81.07060	68.6
83.01324	1.1
83.04990	10.9
83.08147	1.3
83.08624	22.0
85.02907	31.2
85.06526	3.7
87.04454	5.1
91.03957	12.7
91.05484	26.8
93.07044	41.4
95.04967	9.1
95.08610	20.4
97.02895	16.9
97.06535	10.4
97.10173	13.1
99.04443	3.2
99.08073	2.2
103.03946	1.5
105.04519	1.0
105.07027	11.6
107.04952	4.9
107.08599	29.2
109.02846	2.0
109.06506	3.3
109.10159	53.6
111.04440	1.9
111.08076	6.9
115.03892	0.9
116.04713	1.7
117.07007	9.8
119.08582	11.7
121.06483	2.9
121.10150	10.9
123.08043	2.9
123.11726	4.2
125.09631	12.4
127.03937	5.5
129.05463	5.4
129.07001	2.6
131.08583	8.2
133.10153	11.2
135.08051	2.4
135.11702	9.9
137.09602	3.7
143.07014	1.0
143.08580	1.2
143.10648	2.2
145.05014	4.5
145.05980	0.8
145.10089	5.8
146.08070	1.5
147.11707	5.3
149.09615	2.6
149.13272	10.0
151.11185	1.3
153.12737	2.6
155.10641	5.1
157.10164	2.6
159.10500	0.8
159.11702	7.4
163.06038	6.1
163.11185	8.5
165.12762	4.5
169.12204	1.1
173.09541	1.5
173.11757	13.0
175.11218	1.1
177.12744	2.1
177.51454	0.9
181.12260	3.4
185.11691	1.5
189.11237	1.8
191.10634	2.8
193.12175	6.0
195.13820	11.3
199.13281	6.3
201.09883	0.8
209.11685	6.5
211.13289	5.7
211.91695	0.9
213.14796	1.9
227.12790	10.3
229.14352	44.0
239.16403	5.2
265.14267	1.8
267.13345	1.2
267.15948	11.9
269.17487	50.3
283.15378	7.1
285.16959	1.9
301.16458	15.8
313.16434	2.3
323.18536	1.0
332.46457	0.9
339.23193	1.1
357.24414	1.2
393.26392	2.5
411.27209	5.1
423.21683	1.9
423.27426	37.4
431.27979	5.3
449.28824	3.6
477.28455	5.7
495.29550	100.0
496.29971	1.9
513.30688	27.0
514.31085	1.4
657.34631	1.2
785.39771	1.0
819.24860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.0
67.05514	18.9
69.03146	0.6
69.03439	7.2
69.07076	24.8
69.84725	2.3
71.04984	1.7
71.12331	0.5
76.27042	0.5
77.02472	0.5
79.05500	16.6
79.47948	0.5
81.03432	4.5
81.07064	17.0
83.04973	3.5
83.08624	6.5
85.02916	1.2
85.06543	0.9
90.22991	0.5
91.05491	14.2
93.07059	13.2
95.01354	0.8
95.04990	6.3
95.08616	9.6
97.02910	8.2
97.06545	3.3
97.10183	11.8
97.10793	1.1
98.21468	0.6
99.04462	0.6
100.07597	1.2
100.14766	0.5
102.37244	0.5
103.05496	0.8
103.72846	0.5
105.03435	0.7
105.04557	0.6
105.07039	11.6
107.04977	6.6
107.08611	10.3
109.06531	3.0
109.10176	6.7
111.04489	0.9
111.08086	2.5
115.05496	0.8
117.07040	6.8
119.04960	1.4
119.08595	10.2
121.06499	2.6
121.10194	3.8
123.04492	0.6
123.08109	3.1
125.09644	8.8
127.03815	0.6
129.07019	4.3
131.04955	0.8
131.08582	7.4
133.06517	2.6
133.10150	4.7
134.07262	1.5
135.08073	2.9
135.11705	2.4
137.09605	1.3
143.08556	2.1
144.09393	0.6
145.06470	1.1
145.10138	5.3
146.08128	1.5
147.08069	5.0
147.11662	2.9
149.09604	2.2
149.13234	1.9
153.09132	1.2
157.10139	2.8
159.08087	1.0
159.11723	2.5
161.09639	1.8
161.13248	1.1
162.10426	1.0
163.11237	0.8
165.09125	1.5
169.10086	0.9
169.12263	0.6
171.11720	1.6
173.09572	0.6
175.11197	2.3
175.52699	0.5
177.12756	2.0
185.09706	0.8
187.11108	0.6
187.14857	0.6
189.09117	0.5
189.09677	0.6
189.11217	4.2
189.12677	0.7
193.12218	1.0
195.13795	1.4
201.12842	0.7
205.12358	1.2
223.13318	15.9
227.12804	5.8
245.13974	0.9
245.18997	1.6
249.14969	3.7
249.17334	0.6
249.18208	0.5
255.17448	1.5
267.15921	1.0
273.18503	16.4
289.17932	0.6
291.19571	100.0
292.19751	1.6
309.20560	0.9
318.05273	0.5
335.25644	1.7
347.22076	3.6
349.23611	0.9
363.21973	0.7
365.23267	54.2
382.19965	1.6
395.17087	1.2
413.74579	0.6
535.32642	1.1
546.39240	0.6
557.34607	1.8
575.35620	1.9
587.36041	0.6
627.42621	0.7
637.41095	2.7
655.42108	53.3
656.42328	1.6
708.43323	0.7
756.52014	0.6
767.50958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15936	1.4
65.03959	2.1
67.05173	2.8
67.05508	41.7
69.03436	9.1
69.07076	22.4
70.10433	2.7
70.10847	3.8
71.04982	2.1
73.02949	1.7
79.05499	31.1
79.78320	1.5
81.03421	8.6
81.07057	41.7
83.04985	8.2
83.08616	11.2
84.08144	2.3
85.06537	4.5
86.48817	1.6
91.05492	37.8
93.07044	29.7
95.04981	7.7
95.08611	15.0
97.02891	7.6
97.06539	5.6
97.10152	8.6
99.04462	1.7
99.26845	1.4
100.07613	1.6
103.05494	1.8
105.07040	28.4
106.14742	1.4
107.04967	11.0
107.08606	23.5
109.02865	1.5
109.06515	6.3
109.10162	33.5
111.08058	4.9
115.05382	1.8
117.06206	1.3
117.06999	9.6
119.08571	15.5
121.06538	5.2
121.10150	7.7
123.08044	3.3
123.11726	5.2
125.09640	4.6
127.07597	2.9
129.07030	5.3
130.08650	3.8
131.08578	12.8
133.06476	3.4
133.10139	33.2
135.08067	7.6
135.11729	4.4
143.08545	4.6
145.10095	7.3
147.08118	4.9
147.11696	3.1
149.09651	5.0
151.11177	16.0
157.10170	3.1
159.11746	3.3
161.09677	3.4
163.11205	1.8
169.12277	4.5
171.11667	3.0
173.09630	2.5
175.11208	5.1
177.12842	2.1
179.10710	2.9
179.39601	1.6
185.13243	1.8
189.11241	2.0
195.13853	1.9
215.12770	2.2
223.13318	12.0
227.12874	2.6
227.17998	2.2
227.20049	3.2
229.14397	1.7
237.16566	1.6
245.19160	2.4
249.14917	3.0
251.12672	3.0
253.14377	68.6
254.14760	2.2
255.17479	3.1
263.20169	2.1
273.18527	28.6
291.19559	100.0
292.19958	2.2
309.20569	1.8
347.22235	9.2
365.23239	54.7
366.23853	1.7
539.34747	1.5
543.33075	4.7
561.34241	27.1
573.33502	2.1
637.40924	11.3
655.42102	37.9
736.90179	1.6
854.92175	1.9
879.54462	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55385	0.7
65.03927	2.4
66.04704	0.8
67.05505	39.2
69.03116	0.8
69.03430	7.9
69.07066	22.9
71.04982	2.9
71.06348	0.7
71.56347	1.3
77.03943	0.7
79.05494	27.0
79.48755	0.6
79.49264	0.7
81.03412	6.0
81.07056	36.7
83.04980	7.0
83.08613	6.4
84.08157	1.1
85.02904	1.6
85.06544	3.7
87.04465	0.9
90.88777	0.8
91.05479	35.0
93.06477	1.5
93.07044	26.4
95.04967	10.1
95.08606	14.3
97.02883	5.6
97.06545	4.3
97.10172	8.8
99.04430	1.5
103.05468	1.2
104.58565	0.7
105.03424	1.0
105.04515	1.4
105.07032	30.0
107.04947	8.5
107.08598	25.1
109.02878	1.2
109.06535	4.9
109.10157	30.9
111.04439	1.2
111.08053	2.4
113.05984	1.3
115.05436	1.3
116.06240	0.9
117.07010	7.9
119.04944	1.7
119.08589	12.0
121.06506	8.4
121.10159	6.6
123.04432	0.6
123.08068	4.8
123.11711	5.3
125.09617	6.9
127.07529	1.2
128.06215	1.5
129.06990	4.4
130.07773	1.1
130.08629	2.2
131.08572	11.2
133.06512	5.5
133.10132	35.9
134.07237	0.9
135.08037	6.3
135.11682	3.1
137.09608	2.8
141.06905	0.6
142.93335	0.8
143.08566	6.0
145.06441	1.2
145.10133	7.8
147.08032	6.8
147.11670	3.9
149.09584	3.8
149.13313	2.4
150.53508	0.7
151.11188	16.7
153.09068	1.2
157.10153	4.6
159.08101	1.2
159.11681	3.8
161.09608	5.5
161.13297	1.1
162.10428	0.9
163.11195	2.6
165.09087	1.9
169.10107	1.5
169.12283	3.6
171.11740	2.5
173.09645	1.3
173.13173	1.0
175.11189	3.6
177.12730	1.7
179.10709	1.6
185.09663	0.8
185.13277	1.8
187.11137	1.5
189.11185	1.9
189.12758	1.6
193.12251	1.1
195.13828	1.1
199.11147	1.3
205.12213	1.3
207.13759	0.8
210.58473	0.7
215.12761	1.9
223.13293	13.7
227.12730	3.6
227.17957	0.9
227.20074	1.2
229.14212	0.8
233.53510	0.8
237.16351	1.1
245.19040	3.0
248.20836	0.7
249.14854	3.0
251.12723	2.4
253.14354	74.7
254.14610	0.9
255.17477	2.8
263.20120	2.7
267.15891	1.9
273.15506	1.4
273.18478	30.8
291.19540	100.0
309.20425	1.7
347.22202	9.5
365.23242	49.9
366.23730	2.0
423.23834	0.9
432.64081	0.9
543.32916	4.2
557.34705	0.9
559.33185	1.7
561.34186	23.5
566.58130	0.9
575.36432	1.7
637.40906	10.0
655.42084	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.0
67.05514	18.9
69.03146	0.6
69.03439	7.2
69.07076	24.8
69.84725	2.3
71.04984	1.7
71.12331	0.5
76.27042	0.5
77.02472	0.5
79.05500	16.6
79.47948	0.5
81.03432	4.5
81.07064	17.0
83.04973	3.5
83.08624	6.5
85.02916	1.2
85.06543	0.9
90.22991	0.5
91.05491	14.2
93.07059	13.2
95.01354	0.8
95.04990	6.3
95.08616	9.6
97.02910	8.2
97.06545	3.3
97.10183	11.8
97.10793	1.1
98.21468	0.6
99.04462	0.6
100.07597	1.2
100.14766	0.5
102.37244	0.5
103.05496	0.8
103.72846	0.5
105.03435	0.7
105.04557	0.6
105.07039	11.6
107.04977	6.6
107.08611	10.3
109.06531	3.0
109.10176	6.7
111.04489	0.9
111.08086	2.5
115.05496	0.8
117.07040	6.8
119.04960	1.4
119.08595	10.2
121.06499	2.6
121.10194	3.8
123.04492	0.6
123.08109	3.1
125.09644	8.8
127.03815	0.6
129.07019	4.3
131.04955	0.8
131.08582	7.4
133.06517	2.6
133.10150	4.7
134.07262	1.5
135.08073	2.9
135.11705	2.4
137.09605	1.3
143.08556	2.1
144.09393	0.6
145.06470	1.1
145.10138	5.3
146.08128	1.5
147.08069	5.0
147.11662	2.9
149.09604	2.2
149.13234	1.9
153.09132	1.2
157.10139	2.8
159.08087	1.0
159.11723	2.5
161.09639	1.8
161.13248	1.1
162.10426	1.0
163.11237	0.8
165.09125	1.5
169.10086	0.9
169.12263	0.6
171.11720	1.6
173.09572	0.6
175.11197	2.3
175.52699	0.5
177.12756	2.0
185.09706	0.8
187.11108	0.6
187.14857	0.6
189.09117	0.5
189.09677	0.6
189.11217	4.2
189.12677	0.7
193.12218	1.0
195.13795	1.4
201.12842	0.7
205.12358	1.2
223.13318	15.9
227.12804	5.8
245.13974	0.9
245.18997	1.6
249.14969	3.7
249.17334	0.6
249.18208	0.5
255.17448	1.5
267.15921	1.0
273.18503	16.4
289.17932	0.6
291.19571	100.0
292.19751	1.6
309.20560	0.9
318.05273	0.5
335.25644	1.7
347.22076	3.6
349.23611	0.9
363.21973	0.7
365.23267	54.2
382.19965	1.6
395.17087	1.2
413.74579	0.6
535.32642	1.1
546.39240	0.6
557.34607	1.8
575.35620	1.9
587.36041	0.6
627.42621	0.7
637.41095	2.7
655.42108	53.3
656.42328	1.6
708.43323	0.7
756.52014	0.6
767.50958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	5.5
67.05489	1.5
69.03418	1.0
69.07066	0.6
70.06596	22.9
71.08649	3.1
71.54980	0.4
71.55436	0.7
72.08161	0.6
74.06086	0.6
79.05495	0.9
81.03437	0.8
81.07057	0.9
83.04929	0.5
84.08130	0.5
85.10188	1.3
88.07635	27.1
91.05490	1.2
93.07043	0.8
95.04967	0.5
102.09184	19.9
105.06965	0.5
108.72413	0.5
109.10165	0.6
111.04385	0.5
119.08513	0.6
121.02872	1.8
121.06576	0.5
131.04910	0.7
131.08592	0.7
134.80148	0.4
139.03922	2.0
147.04408	1.2
148.45192	0.4
149.02354	90.4
149.03421	5.8
150.02724	0.8
154.91858	0.5
175.03979	2.7
177.05518	1.7
191.07127	1.1
193.04973	44.7
199.16998	1.1
212.23766	1.0
219.06548	2.2
229.14394	1.3
237.07584	10.4
256.26358	56.1
257.26831	0.9
293.04138	0.5
297.03973	1.1
300.29141	1.6
313.07053	1.9
341.06589	3.1
343.08115	0.9
359.07645	2.4
377.78082	0.5
385.09180	7.0
411.10950	0.6
416.96970	0.5
429.11969	1.7
460.34277	0.5
533.10614	1.0
548.30988	0.5
577.13507	10.4
621.16095	8.8
832.38763	1.8
850.40076	100.0
851.40729	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	848.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	2.8
61.02641	0.7
61.02933	10.6
65.03940	1.9
67.05508	86.0
67.79324	0.4
69.03439	2.9
69.07072	7.0
70.66573	1.0
71.04995	3.6
73.02924	3.7
79.05496	17.4
79.84142	0.4
81.03416	1.3
81.07059	33.5
83.04988	1.1
83.08618	7.5
85.02911	13.2
85.06554	3.1
87.04469	0.5
91.03958	8.8
91.05482	11.9
93.07048	22.1
95.04978	1.3
95.08611	26.0
97.02890	6.6
97.06538	1.3
97.10175	2.2
99.04469	1.3
99.08086	0.7
99.46377	0.4
101.02390	0.6
103.03981	0.6
105.07037	6.5
107.08600	13.5
109.10160	71.7
110.10493	0.5
111.08111	3.9
112.97128	0.4
113.09602	0.4
115.03924	0.8
117.07036	3.1
119.08590	10.3
121.10151	9.7
123.08052	0.6
123.11724	3.8
125.09639	1.6
127.03919	3.3
127.11198	0.8
131.08574	5.6
133.10127	4.2
135.11696	8.0
137.09616	3.6
137.13278	1.6
144.06639	0.4
145.04961	4.6
145.10129	4.4
147.11708	2.7
149.13252	5.3
151.14870	0.7
155.10674	7.4
157.10139	0.9
159.11702	3.5
161.13206	2.2
163.06015	5.2
163.14839	3.1
173.11775	17.7
173.13283	2.6
175.14856	1.2
177.16489	0.6
187.14828	2.0
189.11191	1.0
191.79202	0.4
212.20825	0.4
213.14812	0.5
227.12781	7.6
229.14360	100.0
229.72693	0.5
230.14694	1.1
233.22537	0.5
243.21133	4.5
261.22153	18.6
263.23547	0.5
314.27426	0.6
317.24762	3.2
333.24451	0.5
335.25806	67.6
336.26099	1.3
379.29797	1.2
397.30954	1.7
415.32126	1.5
433.33469	0.6
471.34671	2.2
489.35767	52.0
490.35867	1.8
507.36951	7.3
633.39874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	2.5
61.02929	12.0
65.03940	2.6
67.05508	92.3
69.03439	3.2
69.07073	7.8
70.63031	0.6
70.63364	1.3
71.04996	2.9
73.02919	3.6
79.05495	20.6
80.47765	0.7
81.03415	1.8
81.07061	36.2
83.04993	1.5
83.08611	7.5
85.02911	12.8
85.06557	3.3
91.03958	8.3
91.05477	11.3
93.07049	23.9
95.04984	1.4
95.08607	25.6
97.02882	6.5
97.06531	1.5
97.10177	2.1
99.04439	0.9
99.08105	0.8
105.07031	7.5
107.08604	14.7
109.06547	1.0
109.10159	75.5
110.10461	0.9
111.08091	3.1
111.11776	0.6
117.07015	2.6
118.92435	0.6
119.08581	10.7
119.09361	0.9
121.10151	11.8
123.08051	0.7
123.11711	4.1
125.09621	1.2
127.03915	4.1
131.08594	6.7
133.10118	6.0
135.11702	8.9
137.09613	4.2
137.13261	1.2
145.04961	3.4
145.10144	4.3
147.11668	3.9
149.13258	4.1
155.10663	7.6
158.49649	0.6
159.11652	3.8
161.13255	2.9
163.06015	4.4
163.14816	2.6
165.12740	0.7
173.11761	17.3
173.13287	3.9
175.14880	1.3
187.14856	1.7
189.11255	0.9
198.30728	0.6
201.16374	1.4
227.12758	5.2
229.14357	100.0
230.14790	0.9
243.21097	6.7
261.22165	23.4
261.24866	1.4
279.23300	0.7
299.23523	0.9
317.24890	3.4
335.25812	80.4
336.26157	2.0
379.30051	1.4
397.31070	1.6
415.31818	1.0
471.34763	2.5
489.35767	82.6
490.36099	2.4
507.36856	11.8
633.39392	0.7
653.72308	0.6
742.83795	0.8
757.86462	0.7
821.65314	0.7
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
59.04990	2.8
61.02904	2.0
65.03948	4.0
67.05505	100.0
69.03429	1.8
69.07069	22.0
70.00050	7.2
70.00427	3.5
71.04978	5.0
73.22839	1.6
75.06076	1.5
77.03905	2.0
79.05496	53.7
81.03415	4.5
81.07058	87.5
83.04984	4.1
83.08619	17.4
85.02899	3.5
85.06532	3.3
87.04446	1.6
91.04902	1.8
91.05479	39.1
93.07043	60.9
95.04970	7.2
95.08609	53.1
97.02901	2.6
97.06524	8.3
97.10130	8.3
99.08072	2.2
103.05511	1.9
105.04534	1.9
105.07034	30.6
107.04967	4.7
107.08594	47.5
109.06535	5.4
109.10156	59.2
111.08096	4.8
117.07012	13.7
119.08587	25.9
121.06536	2.1
121.10145	22.9
123.08052	2.3
123.11717	7.3
125.09641	8.4
129.06963	2.6
131.08585	16.9
133.06473	1.9
133.10146	18.6
135.08069	2.9
135.11703	16.4
137.09586	3.6
139.11174	2.5
143.08556	4.6
145.10118	16.6
147.11652	11.0
149.09604	6.1
149.13257	13.2
155.10645	2.7
157.10155	3.0
159.11710	14.0
161.13271	6.3
163.11130	3.3
163.14833	4.1
165.12788	1.9
171.11719	5.8
173.11745	12.2
173.13245	4.6
175.11253	1.6
175.14819	2.6
179.14314	1.6
180.20938	1.6
183.11617	1.6
187.14836	2.6
189.11241	3.9
193.12273	1.9
197.13113	2.1
199.14862	2.2
227.12794	11.7
229.14345	50.2
233.31030	1.7
243.21111	4.0
257.18958	3.9
259.20587	2.5
261.22150	17.4
269.17450	24.0
275.20123	30.2
293.21149	4.5
317.24872	3.4
333.24179	2.7
335.25809	99.8
336.26114	4.5
349.23718	23.3
367.24847	15.7
414.28345	2.0
489.35751	34.9
490.35742	2.8
507.36789	4.2
515.37817	2.2
529.38910	50.1
569.42261	10.0
609.36145	2.8
609.45184	35.9
610.46057	2.0
627.46179	26.2
635.13080	2.2
671.57532	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	0.9
61.85572	0.1
62.11750	0.1
64.24165	0.1
65.03933	0.1
67.05507	1.4
69.03440	0.8
69.07069	0.4
70.06586	0.2
70.68125	0.4
71.04990	0.5
73.02911	0.3
79.05495	1.5
81.03419	9.1
81.07066	1.5
83.04983	0.8
83.08624	1.9
84.08130	0.2
85.02910	0.9
85.06539	0.2
91.03947	0.3
91.05488	2.0
93.07042	1.1
95.04977	2.7
95.08614	0.8
96.58023	0.1
97.02902	0.7
97.06518	0.3
97.10240	0.2
99.86958	0.1
100.07608	0.2
103.05442	0.1
105.07029	1.4
107.04955	0.9
107.08593	0.6
109.02869	0.1
109.06518	0.5
109.10168	0.3
111.04417	0.2
111.08079	0.7
115.05421	0.2
116.07107	0.1
117.07053	0.2
119.03536	1.0
119.08604	1.2
121.06500	0.3
121.10152	1.0
123.08046	0.2
125.09624	0.1
126.09120	0.1
127.03923	0.2
129.07013	0.9
131.04948	0.3
131.08536	1.0
133.06488	0.4
133.10136	0.5
133.97765	0.1
135.07980	0.1
136.06190	100.0
137.04584	0.9
137.06631	0.3
137.09622	0.2
142.07751	0.3
145.10110	0.3
146.08192	0.2
147.08060	0.4
147.11679	0.9
149.09636	0.8
152.05705	1.1
153.04123	0.1
154.51494	0.1
157.10118	1.3
161.09573	0.2
162.07751	0.3
165.12822	0.2
167.06978	0.1
172.01892	0.1
175.11179	1.0
178.07259	0.3
183.11592	0.1
193.12250	3.6
211.13313	0.3
213.12793	0.1
225.14806	0.1
249.14926	0.1
267.15915	9.2
268.16370	0.1
346.19028	0.1
367.22955	0.2
385.23831	0.4
459.21112	0.3
459.27423	4.1
460.27386	0.1
477.28464	1.8
491.30206	0.2
501.28036	0.2
509.31204	0.2
520.29651	0.1
567.29315	0.2
612.33948	1.4
630.35059	2.5
644.36548	0.2
662.37354	0.5
769.35565	0.2
774.39172	3.2
792.40289	3.7
806.41467	0.8
824.42999	2.3
842.43982	0.5
842.60944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.1
67.05506	9.0
69.03425	2.6
71.44442	1.0
71.55209	1.5
72.80666	1.2
79.05494	10.2
81.03431	6.8
81.03835	1.2
81.07059	4.3
83.04959	1.9
89.03933	11.1
91.05488	13.1
93.07053	8.7
95.01301	1.3
95.04993	12.8
95.08613	12.0
97.02866	2.5
99.00842	1.9
103.05479	23.4
105.04553	1.1
105.07039	29.8
106.04160	1.1
107.04980	3.0
107.08608	3.0
109.02952	1.1
109.06529	5.1
109.10191	1.9
111.04441	2.0
113.03433	1.2
115.05455	5.3
117.03385	29.9
117.06998	7.0
119.04971	2.4
119.08604	4.8
121.02898	1.2
121.06530	8.0
123.04440	2.2
123.08076	10.0
128.06230	8.7
129.07021	7.7
131.04936	23.4
131.08578	7.5
133.06502	32.1
133.10165	1.3
134.03613	2.1
135.04462	2.7
135.08040	5.9
137.05978	3.8
141.06982	6.7
142.07788	7.0
143.08572	11.1
145.02858	63.2
145.06506	11.9
145.10121	6.2
147.04440	2.4
147.08073	3.3
149.04915	2.0
149.06001	19.9
151.07579	8.1
152.06219	3.5
153.06990	2.7
154.07777	7.0
155.08540	7.8
156.05769	1.1
156.09360	7.3
157.06517	4.6
157.10162	11.0
158.07283	2.1
159.04428	1.6
159.08083	9.6
159.11705	3.5
161.05994	43.6
161.09624	2.4
162.06581	1.2
163.07556	5.5
165.05809	1.4
165.07039	8.1
166.07787	3.1
167.08582	12.3
168.09431	1.3
169.06508	7.3
169.10144	13.5
170.07281	2.3
170.10944	2.8
171.08084	9.9
171.11662	6.1
172.08862	3.3
173.05988	3.0
173.09639	4.8
175.07555	3.5
177.05486	100.0
178.05937	1.1
178.07800	2.7
179.07031	12.8
179.08600	7.6
180.09346	2.0
181.06396	2.6
181.10124	3.9
182.07312	6.6
183.08060	16.1
183.11665	2.4
184.08826	6.2
185.06012	4.8
185.09615	11.5
186.05507	3.3
186.10461	2.2
187.07523	7.4
187.11198	4.4
189.09146	2.8
191.08586	2.2
193.06519	1.3
193.10150	1.9
195.08051	8.4
195.11723	2.6
196.08894	3.3
196.28445	1.1
197.05956	3.5
197.09631	28.8
198.10413	8.6
199.07529	11.1
199.11208	19.9
201.05583	2.0
201.09114	4.6
203.07053	3.1
205.08621	2.6
205.10381	1.3
207.08080	4.8
207.11763	1.6
208.08911	2.5
209.06010	2.7
209.09656	7.5
210.06862	1.4
210.10442	1.4
211.07506	5.6
211.11221	2.6
212.08354	6.3
213.05534	2.3
213.09093	14.8
215.10637	10.1
217.08626	4.8
217.12216	2.5
219.08101	3.1
221.09663	1.6
223.07541	3.5
223.11215	2.4
224.08452	2.6
225.05649	1.9
225.09114	56.0
226.09760	3.3
227.07024	2.9
227.10683	8.4
229.08459	2.3
229.12289	1.8
231.06461	2.6
231.10214	2.7
233.08035	2.4
235.07591	6.1
237.09117	4.2
239.07033	2.4
239.10728	4.6
241.08575	10.6
241.12355	1.4
243.06534	2.2
243.10161	17.6
244.07350	2.3
245.08081	17.2
246.06642	1.5
247.07518	2.4
247.09595	2.2
251.07181	2.6
251.10690	1.9
253.08467	6.8
255.10152	8.2
257.08081	10.4
257.11697	6.0
259.09467	8.3
261.09094	2.2
265.08594	7.6
267.10144	7.7
269.08182	1.8
269.11801	2.0
271.09772	4.4
273.10812	5.7
275.09506	1.1
279.10266	4.0
281.11719	2.2
283.09766	3.1
285.11203	20.9
287.09235	1.6
297.11047	5.8
301.10648	8.5
303.12277	36.7
307.09708	4.3
313.11465	1.7
314.13095	1.7
315.13074	1.8
317.11871	1.6
317.15515	2.2
319.11758	7.3
321.13455	1.8
327.13638	1.4
329.15448	1.8
339.13818	2.4
345.14890	1.7
347.16486	2.0
357.14816	3.1
359.16235	1.9
369.15051	1.2
371.12653	1.6
373.14267	1.7
375.16098	3.2
377.17493	1.8
383.12680	1.5
385.14145	4.4
391.15509	2.2
395.13205	1.3
401.13165	3.2
403.15479	6.9
413.13440	1.8
419.14771	2.5
421.16531	2.9
423.14261	1.2
431.14920	3.0
433.16541	3.3
435.18027	2.0
439.17908	1.6
445.16507	4.9
449.15781	3.7
451.17365	3.9
453.19183	2.1
463.17612	18.4
479.16968	2.1
481.18719	20.9
499.19580	4.5
561.17108	1.4
579.18506	4.3
609.21106	1.4
627.22296	62.8
628.22455	3.0
653.20392	2.2
737.36920	1.9
787.27179	4.8
805.28638	7.5
810.90765	1.4
823.29529	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88255	0.8
65.03946	1.9
67.05508	6.2
69.03423	3.8
69.15694	1.0
77.03911	1.4
78.50180	1.0
79.05496	14.3
81.03053	0.9
81.03432	9.1
81.07076	4.3
83.01344	1.6
83.04990	2.8
85.02895	1.5
89.03938	1.1
90.83376	1.0
91.05484	21.5
93.07053	9.7
95.01320	3.7
95.04974	18.1
95.08611	2.6
97.02880	4.0
97.06536	1.5
99.00820	2.4
103.03949	1.9
103.05477	9.7
105.03374	1.9
105.04507	1.7
105.07040	39.7
107.04954	7.8
107.08574	3.0
109.06532	8.2
109.10186	0.9
111.04440	2.7
115.05456	9.3
116.06264	2.1
117.03377	3.0
117.07034	11.6
117.76780	0.9
119.04939	5.4
119.08599	9.7
121.02875	1.8
121.06518	12.4
121.10134	1.4
123.04432	4.1
123.08043	3.1
125.05986	3.2
128.06236	15.1
129.07018	16.8
130.07782	1.4
131.04935	6.6
131.08572	16.7
133.06503	34.9
133.10144	2.8
135.04427	5.3
135.08072	7.1
137.05995	7.7
139.03856	2.1
139.07556	1.0
141.07005	13.1
142.07785	12.6
143.08572	27.8
144.05687	1.9
144.09309	1.3
145.02872	6.8
145.05371	1.6
145.06483	15.6
145.10132	5.9
147.04344	1.7
147.08040	7.9
149.06003	10.3
149.09645	2.3
151.07538	4.6
152.06213	4.8
153.05818	1.4
153.06970	6.1
154.07785	7.6
155.04852	1.2
155.08556	13.2
156.09375	24.6
157.06512	6.4
157.10130	17.6
158.07314	6.1
159.04475	2.0
159.08070	15.6
159.11719	4.4
161.05994	49.2
161.09550	4.8
162.06775	1.6
163.03960	1.1
163.07544	7.6
165.05573	2.4
165.06996	12.6
166.07808	9.2
167.07184	1.7
167.08563	23.6
168.09337	3.6
169.06487	12.2
169.10143	21.9
170.07272	3.9
170.10912	3.4
171.04388	1.3
171.08072	13.2
171.11720	21.8
172.08839	3.0
173.05994	3.5
173.09639	8.3
173.13271	2.5
175.04025	1.1
175.07613	6.9
175.11168	1.2
177.05498	15.8
177.06923	1.7
177.09103	3.3
178.07803	3.6
179.07022	8.1
179.08562	8.1
180.09277	3.5
181.05031	1.4
181.06508	4.0
181.10129	11.9
182.07239	5.9
182.10924	2.0
183.08044	18.6
183.11655	6.3
184.08846	17.5
185.06023	4.2
185.09621	17.4
186.10435	1.6
187.07539	8.6
187.11221	6.1
188.08208	1.0
189.05518	2.0
189.07153	1.4
189.09102	6.8
189.12755	2.1
190.07834	2.0
191.07037	1.7
191.08582	4.7
192.09319	2.4
193.06511	1.4
193.08650	1.2
193.10159	7.6
194.07321	1.5
194.10809	1.6
195.06517	1.8
195.08087	17.4
195.11719	5.0
196.08913	5.0
197.05980	3.0
197.07793	1.6
197.09624	30.5
197.13383	1.6
198.10384	4.1
199.07555	7.6
199.11192	100.0
200.08479	1.1
200.11745	1.7
201.05463	2.2
201.09109	5.7
201.12738	2.5
202.07918	2.1
203.07007	5.8
203.08623	1.9
203.10573	2.0
204.09338	1.4
205.06795	1.0
205.08591	3.9
205.10194	3.0
206.07068	1.0
206.10895	2.4
207.08107	6.0
207.09811	1.2
207.11751	3.9
208.08861	4.1
209.06073	2.0
209.09633	14.0
209.13293	2.9
210.10469	1.4
211.07591	8.4
211.11147	7.5
212.08333	9.2
213.05527	2.1
213.09108	18.8
213.12624	1.9
215.07014	2.8
215.08850	1.7
215.10693	10.8
216.09488	1.8
217.08470	7.5
217.09911	1.3
217.10362	1.7
217.12079	7.8
219.08163	6.0
219.11711	3.2
220.08896	1.8
220.12439	1.2
221.09644	6.6
221.13199	2.1
222.06726	1.3
222.10406	3.0
223.07617	8.7
223.11183	9.2
224.08337	2.5
224.11859	1.1
225.09119	41.5
225.12718	3.7
226.09898	2.9
227.07022	1.9
227.08701	0.8
227.10672	19.9
228.09352	1.1
229.08496	3.8
229.10359	2.3
229.12392	2.2
230.10931	2.4
231.06335	1.5
231.08304	1.3
231.10001	1.8
231.11864	1.8
232.08800	1.2
232.12549	1.5
233.09607	2.8
233.13206	3.0
234.10382	1.3
235.07730	5.8
235.11174	4.4
235.14841	1.2
236.08316	2.2
236.11858	1.8
237.09137	7.9
237.12752	4.3
238.09866	1.3
239.06975	3.2
239.10634	9.0
241.08426	10.0
241.12350	2.0
242.11153	1.0
243.06372	1.6
243.10007	16.2
244.12602	2.5
245.08029	3.6
245.13438	1.6
246.06616	1.2
246.10402	2.9
246.13988	1.9
247.07430	3.2
247.09682	6.8
247.14957	1.7
248.12100	1.6
249.09067	7.3
249.12863	2.6
250.09863	1.9
251.07016	3.0
251.10748	7.9
251.14250	1.0
253.08241	4.7
253.12337	7.2
254.09100	1.2
255.09996	12.0
256.12671	1.7
257.07806	1.5
257.11493	8.0
258.10419	1.5
259.09366	1.7
259.11475	1.6
259.14850	1.5
261.09012	2.9
261.12845	4.0
262.09735	1.3
263.06995	1.3
263.10681	4.1
263.14099	1.2
265.08426	2.1
265.12665	1.4
265.15979	1.2
267.10052	13.4
268.12372	1.4
269.07797	1.8
269.11853	1.3
269.13470	0.9
270.10379	1.9
271.09491	15.2
271.13409	1.3
272.11890	3.0
273.08752	1.3
273.12668	3.4
273.16223	1.1
274.09775	1.2
274.13593	1.3
275.10553	2.5
277.08685	1.0
278.13092	1.2
279.10153	8.1
281.11725	5.6
283.09567	1.8
284.12115	1.6
285.11115	12.1
286.09967	1.1
286.13486	2.4
287.10254	1.5
287.14029	3.3
288.14761	1.2
289.08524	1.2
289.12177	2.7
289.15796	2.5
291.10162	3.0
291.13782	2.1
295.09851	1.4
297.11371	1.9
298.13525	1.9
299.13959	2.0
300.11417	1.7
301.10916	4.1
301.15829	2.2
302.12952	1.6
303.12125	12.3
303.17508	2.1
305.11621	1.0
305.15302	1.0
307.09668	5.0
307.13010	1.4
309.11234	4.4
311.13809	1.6
312.11447	1.8
313.12100	2.3
313.15567	1.1
314.12985	1.9
315.13553	3.6
316.14526	1.4
317.11923	1.6
317.15240	4.5
319.12924	1.3
319.17014	1.8
321.13361	2.9
323.13010	1.6
325.10547	2.5
327.13055	2.0
329.11707	1.3
329.15601	4.5
330.12302	1.1
331.13138	2.5
331.16956	4.6
333.14737	3.0
333.18460	1.5
335.16388	2.5
339.13541	1.8
341.11578	1.2
341.15381	1.8
343.13147	2.2
345.10971	1.6
345.14835	5.3
347.16336	4.4
349.14496	1.7
349.18066	3.8
351.15878	1.2
353.11566	1.2
355.13190	2.5
357.14966	6.2
359.16479	11.3
361.14349	2.3
363.15732	1.9
365.17496	1.6
367.13257	1.4
371.12592	1.4
373.14398	9.0
375.15900	5.7
377.13663	1.4
377.17572	14.0
383.12521	3.0
385.14420	6.0
387.15823	3.1
389.13602	1.7
389.18054	1.1
391.15436	4.0
393.16931	2.7
395.13657	1.4
395.18567	8.9
397.16171	1.1
401.13773	6.3
403.15402	10.5
405.17059	6.9
413.14001	4.7
413.19107	1.1
415.15347	2.9
417.16904	3.3
419.14359	4.8
421.16522	7.2
423.14291	3.1
427.15674	1.2
431.14926	5.3
433.16458	12.5
435.17984	5.5
437.15714	1.9
439.17307	2.7
445.16541	6.0
449.15927	7.0
451.17566	9.3
453.18607	1.8
463.17514	30.1
467.17023	3.2
469.18631	10.0
481.12073	1.4
481.18671	20.5
499.19775	9.4
517.20581	4.2
579.18781	3.0
589.20166	1.2
627.22369	13.8
805.28619	8.1
823.29138	5.4
841.30157	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96828	0.2
63.02382	0.6
63.72604	0.2
67.05493	0.3
78.04718	0.6
79.05489	0.7
81.03432	0.3
89.03921	11.8
91.05488	1.7
93.07053	0.3
95.04984	1.4
97.02858	0.3
98.21545	0.3
103.05474	7.6
105.07034	1.6
106.04168	0.7
107.04973	0.4
109.06530	0.4
115.05468	0.5
117.03384	31.5
117.07026	0.5
118.03677	0.3
119.04975	0.5
119.08644	0.4
121.06493	0.7
125.40794	0.2
128.06291	0.2
129.07007	0.9
131.04938	11.8
131.08589	0.5
133.06485	1.7
134.03598	1.9
135.04428	1.5
135.08105	0.3
137.06015	0.3
141.06952	0.6
142.07755	0.4
143.08517	1.2
145.02853	61.6
145.06487	0.8
145.10030	0.4
146.03168	0.7
147.04396	0.2
147.08073	0.4
149.05988	10.1
154.07771	0.5
155.08534	0.6
156.09352	0.8
157.06523	0.4
157.10118	0.7
158.06039	0.6
159.08080	0.8
161.06000	3.5
163.03911	0.5
163.07559	0.6
165.07004	0.5
167.08551	0.3
169.06514	0.5
169.10124	0.5
171.08051	0.7
171.11682	1.0
173.06097	0.2
177.05478	100.0
178.05836	1.3
179.07042	0.5
179.08508	0.5
181.10150	0.4
183.08031	0.6
183.11705	0.4
184.08830	0.5
185.05954	0.3
185.09616	0.6
186.05495	2.2
187.07440	0.4
189.09190	0.4
195.08043	0.5
197.09634	1.4
198.10490	0.4
199.07620	0.3
199.11180	2.5
201.09065	0.3
209.09613	0.2
211.07573	0.3
211.11005	0.4
213.09041	0.7
215.10655	0.3
217.08534	0.4
225.05473	0.2
225.09158	1.6
227.10768	0.3
233.09756	0.2
237.09190	0.4
241.08560	0.6
243.10204	0.6
245.07999	0.4
251.10577	0.3
255.09987	0.4
257.08090	1.2
257.11670	0.4
259.09583	0.6
267.10129	0.3
271.09653	0.4
283.09671	0.3
285.11145	0.8
299.37027	0.2
301.10779	0.7
303.12314	0.9
309.11328	0.3
314.12772	0.3
319.11865	0.4
320.16003	0.2
375.15430	0.3
385.14105	0.6
401.13788	0.4
403.15280	0.7
413.13614	0.3
419.14868	0.3
421.16672	0.4
431.14859	0.6
435.17767	0.3
445.16373	0.6
449.15912	0.5
451.17386	1.0
463.17535	2.5
466.38828	0.3
479.17056	0.4
481.18851	2.2
495.16287	0.5
499.19504	0.7
528.83148	0.3
611.22168	0.5
627.22156	0.8
629.23242	0.4
675.23840	0.8
693.24664	0.3
728.75012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54104	0.2
62.97943	0.2
63.02377	0.7
67.05508	0.3
69.03443	0.3
70.48301	0.6
72.11099	0.2
76.91014	0.2
77.03915	0.5
78.04730	0.5
79.05491	0.8
79.54532	0.2
81.03407	0.4
89.03915	9.8
91.05472	1.6
93.07051	0.8
95.04974	1.6
103.05473	10.3
105.03388	0.2
105.04519	0.4
105.07037	2.0
106.04184	0.6
107.04962	0.4
107.08603	0.3
115.05458	0.7
116.06168	0.2
117.03381	27.0
117.07025	0.9
118.03711	0.2
119.04949	0.6
119.08562	0.7
121.06482	0.5
123.04416	0.2
123.08045	0.4
125.05983	0.3
128.06238	0.7
129.07019	1.1
131.04929	17.1
131.08563	0.8
133.06503	1.7
134.03642	1.7
135.04414	1.3
135.08047	0.6
137.05954	0.5
141.07014	0.6
142.07788	0.7
143.08609	1.1
145.02846	56.7
145.06487	0.8
146.03166	0.3
147.04437	0.4
147.08064	0.3
149.05983	9.4
151.07527	0.3
153.06960	0.3
154.07751	0.5
155.08565	0.9
156.09320	1.2
157.10098	0.7
158.06004	0.5
158.07274	0.5
159.08086	1.1
161.05952	3.8
161.09645	0.4
163.03897	0.6
163.07550	0.9
165.06955	0.4
166.07855	0.4
167.08551	0.7
169.06482	0.6
169.10168	1.1
171.04459	0.2
171.08028	0.8
171.11694	0.9
173.05928	0.4
173.09625	0.4
175.07501	0.3
177.05469	100.0
178.05801	0.8
179.08546	0.5
181.10107	0.4
183.08041	0.8
183.11664	0.3
184.08849	0.9
185.05907	0.3
185.09636	0.8
186.05484	1.9
187.07550	0.6
189.05453	0.3
189.09090	0.5
193.10126	0.4
195.08003	0.6
197.09625	1.9
199.07504	0.5
199.11169	3.4
201.09059	0.3
202.00073	0.3
203.07007	0.4
205.10266	0.3
207.11676	0.4
209.09647	0.5
211.11176	0.5
213.09108	0.9
215.06949	0.3
215.10622	0.6
217.08560	0.5
219.11873	0.3
223.07503	0.5
223.11140	0.4
225.09105	2.3
227.06958	0.4
227.10669	0.3
235.09482	0.4
239.06888	0.3
239.10773	0.4
241.08635	0.8
243.10098	0.6
249.09106	0.3
251.10774	0.3
253.08531	0.2
255.10185	0.6
257.08096	1.5
259.09662	0.9
263.10599	0.4
267.09988	0.4
279.09952	0.2
285.11157	0.9
296.11780	0.4
301.10660	0.8
303.12341	0.6
311.13120	0.2
319.11734	0.7
329.15152	0.3
331.16913	0.3
341.15387	0.4
343.13297	0.3
347.16373	0.2
357.14783	0.8
359.16492	0.4
367.13306	0.4
373.14215	0.4
377.17499	0.6
385.14383	0.6
389.13611	0.3
391.15204	0.3
395.18646	0.3
401.13544	0.3
403.15225	0.7
413.13986	0.5
419.14691	0.3
421.16360	0.5
431.14893	0.6
433.16180	0.7
445.16257	0.9
449.16058	0.4
451.17300	0.5
463.17480	3.2
469.18140	0.3
479.16998	0.4
481.18521	2.7
497.18137	0.3
499.19199	0.6
597.20746	0.3
629.23511	0.7
633.24316	0.3
645.22424	0.4
657.23615	1.1
675.24060	1.5
693.25153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	3.9
65.03939	5.3
67.05512	93.6
69.03436	20.3
69.07075	52.4
69.07360	0.8
69.07458	1.6
69.48277	1.2
69.49842	9.5
71.05003	24.4
71.08618	1.4
73.02917	5.4
78.19569	1.3
79.05499	84.9
79.82938	1.3
81.03428	19.4
81.07066	85.4
83.04987	12.1
83.08623	13.9
85.02914	11.3
85.06538	5.5
91.05488	51.6
91.06077	1.3
93.07052	82.6
95.04977	13.9
95.08615	62.4
95.09235	2.9
96.08865	1.5
97.02886	10.1
97.06538	88.9
97.10175	4.3
99.04462	4.4
99.08098	7.3
103.05462	3.2
105.04510	3.3
105.07043	34.2
107.04968	8.7
107.08606	43.6
109.02887	5.0
109.06535	19.4
109.10159	24.3
111.04443	1.7
111.08100	6.1
113.06036	1.5
113.09692	1.5
115.05447	2.2
115.07583	27.8
117.07042	18.7
119.08590	27.6
121.06530	7.9
121.07275	1.3
121.10147	28.1
123.08101	6.5
123.11732	6.3
125.09622	4.1
127.03934	9.1
127.07518	1.9
128.06218	2.3
129.05495	2.7
129.07010	7.9
131.08588	28.1
133.06525	6.0
133.10136	23.6
135.08095	11.6
135.11714	15.4
137.09639	4.4
139.07520	1.8
143.08595	8.7
145.04938	1.6
145.06447	2.5
145.10118	21.7
147.08092	3.8
147.11694	12.6
149.09630	5.7
149.13252	11.6
151.07585	1.8
151.11211	4.6
155.08543	4.7
157.10161	8.3
159.08061	2.2
159.11710	16.3
161.09644	7.0
161.13287	5.8
163.11192	3.2
163.14784	2.8
169.10136	4.9
171.11665	6.6
173.04500	10.6
173.09583	2.6
173.13254	7.5
175.11201	4.0
175.14864	2.5
177.12790	6.0
181.10123	2.0
183.11702	2.1
185.09546	1.9
185.13213	4.2
187.11249	2.4
187.14911	3.6
189.12721	1.5
191.14355	2.1
195.11792	1.8
195.13814	4.9
197.09610	1.6
197.13275	2.1
199.14859	5.8
201.07584	2.8
201.12758	1.5
203.14380	2.2
209.13486	1.7
217.15868	9.0
221.15477	3.3
223.13304	1.7
227.17931	2.3
231.21069	1.6
233.15407	2.8
237.16534	1.6
243.21169	3.7
245.19005	5.3
253.14362	5.3
254.75031	1.5
255.17542	3.1
259.20566	3.1
261.22107	10.9
267.16205	1.7
269.17456	17.7
273.18494	28.6
275.20193	4.8
278.76303	1.6
291.19623	15.7
297.16922	1.9
307.18887	3.5
317.24802	3.2
333.24289	2.6
335.25815	100.0
336.26273	1.8
347.22263	12.7
349.23898	2.1
363.25375	1.9
365.23236	13.3
379.48096	1.4
383.24338	2.6
391.28339	2.0
402.18588	1.6
515.37518	5.0
529.38989	32.3
530.39447	1.8
531.36700	3.7
557.38123	3.3
567.40417	3.3
585.41364	1.7
607.29065	2.1
607.43127	9.1
625.44745	27.1
643.45178	9.0
787.49939	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	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	5.8
62.84241	2.5
65.03934	3.8
67.05510	100.0
67.76261	2.5
69.03426	17.4
69.06723	4.1
69.07074	61.1
69.74725	2.6
71.04992	23.8
71.55283	2.6
71.55750	4.0
73.02910	7.9
73.06561	2.5
74.94176	2.2
79.05500	80.3
81.03425	27.3
81.07062	96.4
83.04992	12.2
83.08630	16.6
85.02905	15.5
85.06546	7.2
91.05487	57.4
93.07047	85.6
95.04967	18.3
95.08613	62.0
97.02898	13.6
97.06538	96.5
97.10155	5.2
99.04433	5.3
99.08070	7.0
99.59469	2.3
100.07620	4.9
101.05952	2.4
105.04514	2.9
105.07039	35.5
107.04972	10.3
107.08604	41.9
109.02915	4.1
109.06529	23.5
109.10152	27.1
111.08078	7.0
113.06030	3.9
115.07571	31.7
115.73689	2.2
117.07027	23.4
119.08586	31.7
121.06515	7.8
121.10150	33.4
123.08054	5.2
123.11703	5.5
125.09622	5.4
127.03899	6.8
127.07559	4.3
128.06250	2.7
129.07010	11.6
131.08569	26.6
133.06496	6.9
133.10133	31.6
135.08041	10.4
135.11693	18.4
137.09613	3.4
141.07031	2.9
143.08551	7.6
145.10106	22.4
146.08121	12.7
147.08040	7.5
147.11746	13.1
149.09668	6.0
149.13286	10.6
151.11176	4.9
155.08556	4.7
157.10156	8.5
159.11691	19.5
161.09644	6.2
161.13258	5.3
163.11223	5.8
163.14867	3.1
171.11646	4.8
173.04474	11.3
173.09727	2.7
173.13248	8.1
175.11255	2.5
177.12708	5.9
185.09613	3.0
185.13272	4.3
187.11125	3.7
187.14749	2.6
195.11745	2.5
195.13780	5.0
197.13322	3.5
199.14757	3.8
201.12639	3.6
217.15831	7.7
225.25916	2.5
227.12816	2.9
227.17981	2.8
233.15404	5.1
245.19009	5.0
253.14374	4.5
259.20483	3.2
261.22256	13.2
267.15939	4.2
269.17523	25.8
273.18536	36.7
275.20053	3.6
291.19534	21.6
297.17038	2.9
309.20474	2.5
317.24747	2.9
335.25845	93.1
347.22165	13.9
365.23239	17.2
375.27701	3.4
383.24228	3.5
515.36761	6.0
529.38947	37.2
557.37708	3.4
607.43347	10.5
625.44641	28.8
643.45447	8.6
729.63574	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	839.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37610	0.6
65.04282	0.6
69.03423	2.6
70.06574	0.8
70.96400	1.3
73.02922	1.0
78.35655	0.6
79.05496	1.2
81.03404	1.1
85.02911	2.8
91.05502	1.3
93.07039	2.7
94.06575	3.1
95.04943	0.7
95.07336	1.5
95.08655	0.7
96.08116	4.8
97.02858	2.0
107.07339	1.1
108.08105	6.6
109.08966	0.9
110.09678	9.8
120.08111	8.1
122.06039	7.6
122.09690	2.2
124.07597	2.1
136.07579	12.3
136.08548	1.0
137.05869	0.8
138.09145	14.8
146.05966	0.9
146.09605	1.5
148.07591	3.0
150.09167	4.9
152.07112	1.5
164.07095	1.0
166.08650	21.8
188.52972	0.8
188.68652	0.7
204.06548	1.2
209.10789	1.3
211.08661	1.3
221.10814	1.3
222.11476	1.1
223.08702	1.0
223.12332	0.8
225.10252	1.1
227.11768	1.1
235.08600	4.5
236.07257	0.7
236.09491	2.8
237.10233	9.5
237.13799	1.7
238.10992	4.8
239.11815	7.0
243.11534	0.7
247.08771	4.0
248.09395	5.1
249.10223	14.8
250.10997	17.1
251.11777	15.2
252.08806	0.7
252.12521	2.4
253.09787	2.5
253.13342	1.7
255.11238	4.1
261.10291	6.6
262.11050	6.4
263.11795	41.8
264.08911	2.2
264.12500	4.4
265.09750	7.3
265.13284	6.5
267.11429	3.6
268.12198	0.8
269.12979	1.1
276.09045	1.0
277.09717	6.4
278.10574	3.5
279.11279	36.1
279.14380	1.7
280.11853	1.6
281.09601	1.0
281.12845	6.8
282.10062	2.0
283.10999	1.5
283.14517	0.7
285.12393	1.4
289.09790	4.4
291.11288	17.9
291.14462	1.2
292.12057	3.1
293.09296	1.8
293.12909	6.8
294.09991	0.9
295.10782	6.0
295.14069	1.0
296.11560	2.7
297.12344	6.3
301.11807	2.6
305.09320	1.3
307.10745	13.3
308.11649	1.1
309.12341	23.3
311.13867	5.5
313.11908	2.7
317.09018	1.1
319.10779	8.2
321.12170	1.3
323.10287	2.8
323.13950	6.6
325.11823	6.6
328.14560	1.4
329.15225	1.4
335.10211	11.4
336.10895	3.6
337.11813	43.8
338.12741	1.1
339.13419	1.9
340.14423	1.1
341.11362	2.2
341.15216	1.2
342.16125	2.9
351.13327	1.8
353.11331	3.7
354.12408	1.0
355.12921	19.1
356.13803	2.2
356.17752	1.7
357.14444	25.3
357.93680	0.8
358.31818	0.7
367.12875	25.6
368.13812	2.9
369.14450	26.0
370.15552	3.8
371.16550	0.9
372.12875	0.8
373.13867	4.2
384.17487	1.5
398.18689	1.5
402.18359	1.6
403.18939	6.3
416.19904	1.4
428.16077	1.3
429.16742	1.1
430.17719	0.9
432.19208	0.9
442.17795	1.5
444.19263	5.4
447.17834	1.6
448.18597	1.1
456.15787	1.7
458.17233	0.9
460.18686	3.6
462.20184	1.3
470.17001	2.2
472.18515	1.6
476.21716	3.2
488.18088	9.5
490.19714	6.3
492.17551	3.3
492.22290	1.5
502.19583	1.1
504.21155	3.7
506.19293	4.6
512.20276	2.1
520.20813	88.3
521.21539	6.3
522.22357	100.0
523.22784	1.6
524.20056	2.3
538.13892	0.7
538.21826	3.2
617.26550	1.0
627.24353	4.5
641.25928	4.2
645.25452	9.2
650.23389	5.1
652.24902	6.9
656.28571	1.0
659.27008	4.4
668.24255	2.2
677.28180	15.0
682.26086	16.8
683.27008	4.0
684.27661	31.0
685.27899	1.0
700.26978	10.5
807.30231	2.7
839.31824	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	4.5
60.95377	1.1
65.03948	3.1
67.05506	82.6
69.03422	5.0
69.07066	14.9
69.57439	2.1
69.57847	5.2
70.06588	1.6
71.01339	2.8
71.04979	5.1
73.02937	1.7
79.05064	2.4
79.05495	34.3
81.03420	100.0
81.06584	2.0
81.07058	39.6
83.04990	11.0
83.08624	27.0
85.02909	8.4
85.06532	3.8
87.04452	3.3
91.05485	32.5
93.07048	24.5
95.04973	32.1
95.08612	16.1
97.02895	6.9
97.06547	7.9
97.10185	17.3
99.04413	1.7
105.03349	1.4
105.07021	20.9
107.04948	14.6
107.07942	1.9
107.08601	16.5
109.06528	9.5
109.10159	61.0
111.03690	1.0
111.04429	5.5
111.08089	11.0
115.05437	2.1
117.07022	6.7
119.04927	2.8
119.07790	2.3
119.08588	25.9
119.79944	1.1
121.06500	9.9
121.10152	12.0
123.04430	3.7
123.08060	4.3
123.11736	1.9
125.06011	2.0
125.09639	12.0
128.06206	1.6
129.05519	1.8
129.07011	14.7
131.04915	2.3
131.08575	14.6
133.06483	6.6
133.10126	11.4
135.04439	1.8
135.08040	4.9
135.11696	6.4
137.06013	2.2
137.09589	6.5
141.06999	1.6
142.07799	4.3
143.08565	2.6
143.10635	1.5
145.06480	2.7
145.10127	8.2
147.04369	6.4
147.08037	6.8
147.11713	9.5
149.05995	1.8
149.09634	7.9
153.09160	2.0
153.12718	6.9
155.08447	1.9
155.10661	3.8
157.10126	16.0
159.08116	1.1
159.11670	2.3
161.05975	2.4
161.09610	2.4
163.11211	12.7
165.12683	2.7
167.10690	1.2
171.11714	2.7
173.09633	3.9
173.11761	13.2
175.11203	10.3
176.81006	1.2
177.12749	1.6
181.12244	5.1
189.11229	6.1
189.12741	2.0
191.10664	4.4
193.10469	2.2
193.12241	38.0
198.05354	1.3
199.11148	2.0
199.13188	2.8
203.14369	1.4
205.12276	1.8
209.11728	7.2
211.11421	1.9
211.13281	10.1
213.12784	1.3
217.14333	2.1
219.13818	5.7
221.15158	1.9
223.13307	1.9
227.12785	18.5
229.12117	2.8
229.14351	43.8
231.13669	2.8
232.14647	2.1
239.29382	1.2
247.13293	4.9
249.14977	6.5
259.13199	5.6
259.15521	2.0
261.18582	1.3
267.15927	97.2
273.14871	1.4
273.18430	4.6
277.14529	1.6
283.15414	13.5
289.17957	1.9
301.16556	7.7
312.10291	1.2
333.17038	1.6
347.22021	2.7
355.22705	2.1
365.20901	2.9
367.22607	4.5
373.23843	2.1
383.22165	9.0
385.23709	5.3
391.24664	2.0
396.85040	1.2
399.23825	14.5
401.23260	10.8
403.24905	2.7
419.24142	3.2
421.25861	23.9
441.26041	1.9
457.25882	4.0
458.26575	11.1
459.27237	5.6
475.26993	14.8
476.27701	15.9
477.28293	4.1
493.28122	11.8
511.28873	3.5
518.32227	5.6
591.35199	10.9
599.92407	1.3
744.41058	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	0.2
65.03934	0.3
66.63080	0.1
67.04252	1.6
67.05505	0.9
68.05022	0.1
69.03075	0.2
69.03432	3.1
69.07066	0.5
70.06591	0.7
71.04993	0.4
71.55466	0.2
72.08150	0.6
73.02914	0.1
73.58386	0.1
74.06054	0.1
78.90023	0.1
79.05512	1.0
80.05006	0.4
81.03418	1.3
81.07063	1.0
82.06583	25.5
83.05001	0.6
83.08609	0.3
84.04495	0.5
85.02911	1.5
85.06549	0.3
86.06111	0.2
87.04474	0.7
91.03971	0.1
91.05482	1.2
93.07049	1.1
94.06583	0.3
95.04950	0.6
95.08614	1.0
97.02887	1.3
97.06532	0.5
98.06010	0.1
99.04459	1.5
100.07622	100.0
101.07935	0.4
102.05579	0.1
103.05444	0.2
105.07037	1.5
107.04963	0.3
107.08616	1.0
109.02879	1.0
109.06514	0.4
109.10156	0.4
111.04446	0.3
111.08068	0.2
113.06020	0.3
115.05466	0.2
116.07100	0.2
117.07023	0.3
119.08589	1.6
119.68520	0.1
121.06529	0.3
121.10138	0.7
123.08030	0.3
123.11706	0.2
125.06031	0.4
127.03922	1.3
128.06229	0.4
128.07115	0.3
129.05479	0.3
129.06990	0.7
130.07762	0.2
131.04915	0.2
131.08571	1.2
133.06490	0.2
133.10159	1.3
135.08020	0.2
135.11714	0.3
136.07639	0.1
137.05949	0.3
137.09578	0.1
139.07376	0.2
141.07010	0.4
142.07751	0.5
142.08688	1.0
143.08577	1.2
145.04996	0.3
145.10126	1.5
146.08167	0.5
147.04437	0.2
147.11700	0.9
149.06032	0.2
149.09636	0.2
151.03963	0.2
151.07605	0.2
153.06992	0.1
155.07262	0.1
155.08537	0.7
156.06555	0.3
156.09390	0.5
157.10147	1.8
158.08194	0.7
158.10905	0.2
159.08098	0.2
159.11737	1.1
160.09698	36.5
161.09796	0.6
161.13237	0.3
165.06987	0.4
166.07780	0.2
167.07214	0.3
167.08606	0.6
168.09375	0.3
169.10133	1.6
170.08125	0.2
170.10878	0.3
170.75482	0.1
171.08051	0.2
171.11722	1.1
173.09633	0.5
173.13258	0.3
175.11183	0.2
177.12781	0.2
179.08623	0.6
179.10765	0.2
180.09274	0.3
181.10095	1.2
182.10875	0.3
183.11716	1.9
183.13231	0.2
185.09633	0.2
185.13290	0.7
187.11217	0.5
189.09187	0.2
191.08638	0.3
191.10718	0.3
192.09274	0.2
193.10191	0.9
193.11942	0.2
194.10939	0.4
195.11725	1.6
196.08917	0.1
196.12503	0.3
197.09622	0.2
197.13246	1.4
199.11308	0.2
199.14885	0.4
205.10220	0.3
205.12224	0.3
206.10898	0.5
207.11749	1.3
208.12505	0.3
209.09761	0.3
209.13261	1.6
210.13979	0.3
211.11348	0.3
211.14850	0.8
213.12729	0.3
213.16505	0.2
215.10707	0.3
217.10236	0.2
218.11073	0.1
219.11780	0.5
219.13812	0.2
220.12427	0.3
221.13275	1.5
222.14037	0.3
223.11279	0.2
223.14810	1.4
225.12805	0.4
225.16434	0.4
227.10872	0.2
231.11842	0.3
232.12492	0.2
233.11488	0.2
233.13576	0.7
234.14693	0.1
235.14868	1.0
237.12688	0.2
237.16357	0.6
238.17201	0.2
239.14348	0.2
239.17949	0.3
241.15770	0.1
245.13359	0.4
246.14200	0.2
247.11203	0.2
247.14857	0.9
248.15678	0.3
249.12799	0.3
249.16484	0.6
250.17494	0.1
251.14561	0.2
251.18095	0.3
252.15907	0.2
254.17604	0.1
257.13046	0.2
259.15018	0.3
260.15540	0.1
261.16574	0.3
263.14334	0.3
263.18042	0.5
265.16013	0.4
265.19650	0.4
267.16068	0.2
271.14908	0.2
273.16452	0.2
277.15976	0.2
281.15448	0.1
283.17099	0.3
289.15997	0.2
289.19589	0.2
291.17511	0.2
295.13632	0.2
297.15350	0.2
303.17496	0.1
305.18811	0.2
307.20343	0.1
325.21710	0.3
337.18179	0.4
355.19122	0.2
379.22952	0.2
397.23816	0.3
411.25726	0.1
439.25455	0.2
457.25671	0.2
582.33154	0.4
626.35339	0.4
632.32690	0.2
676.36969	3.8
762.67853	0.2
778.39685	0.7
778.68243	0.1
820.41290	0.2
829.59833	0.1
838.42194	45.0
839.42517	1.5
874.22614	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	838.423
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02942	0.4
67.04240	1.6
67.05498	1.0
69.03433	3.2
69.07071	0.5
70.06584	1.2
71.04993	0.6
71.56182	0.5
72.08157	0.7
77.77721	0.2
79.05490	1.0
80.05013	0.5
81.03426	2.2
81.07078	1.5
82.06584	26.4
83.04983	0.7
83.08607	0.6
84.04496	0.6
85.02901	1.7
86.06038	0.3
87.04456	0.7
90.38245	0.2
91.05501	1.6
93.07085	1.2
93.83034	0.3
94.06559	0.5
95.04949	0.8
95.08613	0.9
96.08142	0.5
97.02895	1.6
97.06537	0.7
99.04463	1.6
100.07623	100.0
101.07976	0.4
105.07049	1.6
105.28792	0.3
107.04962	0.3
107.08575	1.3
108.32918	0.2
109.02896	0.8
109.06525	0.4
109.10176	0.3
111.08076	0.3
113.06058	0.3
115.03971	0.3
116.07157	0.4
117.07018	0.4
119.08590	1.8
120.08073	0.3
121.06501	0.4
121.10146	0.6
125.05977	0.3
127.03918	1.5
127.07498	0.3
129.05498	0.3
129.06995	0.8
131.08595	1.3
133.10181	1.2
135.11731	0.5
136.07632	0.5
137.05943	0.5
138.09174	0.3
141.07002	0.5
142.07704	0.4
142.08675	0.9
143.08588	1.0
145.10121	1.5
147.08075	0.3
147.11703	1.2
148.07571	0.3
149.09618	0.4
155.08604	0.8
156.09351	0.5
157.10139	2.3
158.08145	0.8
159.11717	1.1
160.09703	56.7
161.09851	0.4
161.13228	0.3
163.11270	0.5
166.08696	0.6
167.07059	0.3
167.08673	0.5
169.10179	1.4
171.08020	0.3
171.11670	1.4
173.13210	0.4
175.11301	0.3
179.04811	0.6
179.08530	0.7
179.90175	0.3
181.04991	0.3
181.10201	1.1
182.10895	0.4
183.11723	1.9
185.13306	0.6
187.11224	0.4
187.14835	0.3
193.10182	0.9
193.12117	0.3
194.10904	0.4
195.11729	1.2
197.13260	1.3
199.15013	0.3
205.10278	0.4
205.12329	0.5
206.10944	0.4
207.11713	1.2
208.12587	0.5
209.13313	1.3
210.14102	0.4
211.11290	0.5
211.14844	0.6
219.11804	0.7
220.12479	0.4
221.13261	1.2
223.14925	1.1
225.12816	0.5
225.16496	0.3
231.11769	0.4
232.12466	0.4
233.13455	0.3
234.14075	0.4
235.14810	0.7
237.12794	0.4
237.16608	0.6
239.18063	0.3
243.14050	0.3
245.13297	0.5
247.14897	0.9
249.16431	0.8
253.19685	0.3
259.14777	0.3
261.16711	0.4
263.14453	0.5
263.18042	0.5
264.19244	0.3
265.16043	0.4
265.19501	0.3
267.16077	0.6
273.12637	0.3
273.16373	0.5
277.09781	0.3
279.11365	0.3
280.11960	0.3
283.10791	0.3
308.09039	1.4
325.21826	0.4
331.20911	0.3
337.18198	0.4
339.13528	0.7
340.13745	0.5
355.12933	0.4
355.19336	0.3
367.12936	0.6
368.13391	0.4
456.06418	0.3
459.27771	0.3
467.40598	0.3
521.20740	0.3
626.35455	0.6
651.24152	0.4
676.36981	5.0
682.26288	1.0
683.26660	3.6
778.39838	0.8
838.42218	52.6
839.42914	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.0
65.03952	0.8
67.05527	0.6
69.03436	3.8
70.05183	1.2
70.05580	1.1
70.06606	1.2
72.08134	0.6
72.75030	0.5
79.05505	1.4
80.05020	0.8
81.03432	1.7
81.07071	0.8
82.06597	0.7
84.08173	0.5
85.02912	4.6
91.05501	1.5
93.05790	0.7
93.07056	2.0
94.06577	5.7
94.94721	0.6
95.04984	0.7
95.07354	2.5
95.08622	0.5
96.08151	4.4
97.02908	1.4
97.06550	0.6
98.20766	0.5
103.05453	0.5
105.07066	1.1
106.06579	0.6
107.04929	0.7
107.07356	1.1
108.04523	0.8
108.08131	7.2
109.02882	0.8
109.08939	0.7
110.09693	9.1
111.29165	0.5
120.04447	0.8
120.08110	6.6
121.06561	0.6
122.06036	9.8
122.09708	0.7
124.07621	1.2
125.06033	0.8
127.03944	1.1
135.08119	0.6
136.07578	8.2
136.08554	0.7
138.05533	0.6
138.09155	10.0
138.61942	0.5
146.06029	0.6
148.07600	2.4
150.09157	1.3
152.07100	1.1
160.07684	1.0
164.07071	0.6
166.08656	13.5
167.07117	0.8
188.07063	0.5
196.09979	0.5
211.08679	1.3
221.10890	1.4
225.10332	1.1
234.07704	0.6
235.08704	1.5
236.09540	1.6
237.10301	1.4
247.08780	1.7
248.09486	0.9
249.10258	11.9
249.12610	0.8
250.11072	3.2
251.11841	2.5
253.09714	0.7
255.11523	0.7
261.10336	2.0
262.11169	0.6
263.08377	0.7
263.11829	2.9
264.08990	1.0
265.09711	1.6
265.41425	0.5
267.11383	0.9
271.10938	0.6
277.09744	8.4
278.10519	3.3
279.11295	2.7
281.09589	0.5
281.12781	0.5
283.10779	0.6
285.12848	0.5
288.11725	0.5
289.09796	1.8
291.11380	2.4
292.11975	0.7
293.09296	1.2
295.10870	1.0
299.11237	0.6
300.11557	0.9
309.09003	0.6
309.12372	6.8
310.13309	1.7
311.10522	0.7
311.14127	1.3
312.15179	0.8
314.13132	1.0
315.10461	0.7
315.13977	0.7
316.11032	1.0
316.14682	0.7
323.10376	1.8
323.13898	0.8
324.15152	1.1
325.12299	0.6
325.15964	0.9
326.13165	1.1
326.16690	0.9
327.14227	0.8
328.11041	0.8
328.14539	2.0
329.15503	0.7
330.12518	1.4
335.10233	1.3
337.12247	0.8
338.13144	1.2
339.13803	1.2
340.10934	0.8
340.14487	1.6
341.11603	2.0
342.12500	3.6
342.16107	0.9
343.13245	2.0
344.14008	2.0
346.15604	0.7
352.14679	3.1
353.15240	1.7
354.12323	2.5
354.16223	1.7
355.13242	2.5
356.09915	0.7
356.13953	7.6
356.17935	0.7
357.14667	3.3
358.11768	1.2
358.15704	1.5
366.12457	0.7
367.13589	1.2
368.10175	1.0
368.14267	1.1
369.10953	1.4
369.14944	1.3
370.11829	1.9
370.15802	3.8
371.12479	0.6
371.16513	1.9
372.13348	1.2
372.17352	1.9
373.14148	0.7
374.15170	1.0
380.14084	1.8
382.11673	0.9
382.15631	2.0
383.12946	1.5
384.13422	5.4
385.13940	1.1
385.18054	1.5
386.14993	1.7
386.19263	0.7
396.13556	1.3
397.14383	1.9
398.15030	6.1
399.15903	2.8
400.16870	6.9
401.14160	0.7
402.14276	0.9
403.15079	0.7
408.13605	1.2
410.15179	1.7
412.13086	2.3
413.13324	0.8
414.13605	1.1
414.18814	2.5
415.14978	0.8
416.16422	2.6
417.16959	1.3
425.14008	0.8
426.14514	5.3
428.16132	8.9
429.17322	0.9
430.13943	1.0
431.15057	0.7
432.19327	0.8
442.18491	6.8
443.14709	1.2
444.15540	5.3
446.16934	0.8
454.14026	27.3
455.13824	0.8
458.17014	0.8
460.19574	4.5
464.17853	1.0
468.15726	1.0
472.15125	38.2
473.15616	1.2
474.16599	6.4
476.18457	1.4
486.16751	3.1
492.17697	30.2
504.17676	13.5
505.18271	0.7
510.18875	0.8
520.21558	1.0
522.18408	2.4
579.22131	0.8
597.23120	0.6
607.21680	4.1
611.25201	3.7
625.22974	20.3
629.25934	1.0
639.24542	19.1
643.23932	1.3
657.25598	100.0
658.25726	3.2
675.26715	6.9
751.25238	0.6
787.28882	2.5
819.31409	2.4
837.31573	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	836.516
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26257	1.5
65.03935	3.7
65.74946	1.4
67.05507	75.1
69.03428	3.6
69.07069	18.0
71.04986	1.5
79.05495	65.1
81.03423	4.1
81.07061	65.4
83.05016	7.4
83.08623	12.1
85.02908	6.1
91.05483	74.2
93.07050	70.0
95.01342	17.2
95.04981	8.3
95.08613	41.2
95.09235	1.8
97.02892	4.3
97.06528	7.1
97.10153	4.2
100.07609	2.0
103.05482	1.8
103.90334	1.6
104.21115	1.5
105.04492	3.0
105.07041	44.0
106.84169	2.0
107.04945	3.7
107.08596	28.3
109.06491	3.7
109.10155	17.0
111.00791	1.6
111.08087	4.6
115.05484	8.6
117.07022	74.0
117.07860	3.5
119.08590	35.0
121.06532	3.1
121.09316	3.5
121.10150	52.3
123.08078	4.4
123.11683	3.9
125.09657	3.6
128.06224	5.3
129.01852	4.3
129.07013	20.5
130.07811	2.6
131.05000	1.5
131.08571	59.2
133.06487	2.4
133.10141	37.0
135.08046	6.1
135.11702	25.6
137.09630	3.6
139.11244	1.9
141.01863	8.1
141.07004	8.9
143.08560	24.8
143.09573	2.7
145.06465	3.4
145.10123	33.5
146.08144	5.4
147.11713	21.8
149.09615	3.9
149.13243	7.1
151.11140	2.9
155.08617	8.5
157.06528	2.1
157.10103	17.3
159.08087	3.0
159.11699	22.4
161.09636	4.3
161.13269	11.5
163.07553	2.1
163.11147	6.8
165.06964	1.8
167.08649	3.7
169.10139	8.7
169.37723	1.6
171.08109	2.3
171.11702	14.1
173.09592	2.0
173.13297	10.8
175.14836	3.2
177.03943	3.4
177.12770	4.7
179.08606	1.6
179.14326	3.3
181.06644	2.1
181.10156	5.1
183.08168	3.1
183.11768	9.0
185.13284	6.2
187.07622	2.2
193.10112	2.7
195.08080	1.9
195.11690	3.8
197.09595	1.6
197.13213	4.6
199.11145	2.5
199.14816	2.4
203.18019	6.3
209.09618	1.7
213.12654	2.4
213.16312	2.2
221.09602	1.6
227.17952	1.7
237.16389	3.9
239.17972	14.2
241.19531	6.6
253.14337	2.1
257.19046	20.1
259.20602	19.3
261.22025	2.3
273.18396	2.0
275.20120	6.7
277.21692	12.6
301.96619	1.5
315.23068	1.7
323.20102	3.2
331.22720	16.9
333.18381	2.0
333.24344	11.5
335.25732	4.6
349.23734	4.7
351.25314	100.0
352.25385	1.7
369.20654	5.0
379.19165	1.6
387.21423	3.9
397.20090	5.3
415.21265	17.1
421.20001	1.9
433.22470	9.8
457.48804	1.7
484.82205	1.5
489.24979	4.4
507.25946	38.2
513.35925	2.0
589.42432	2.5
607.43372	9.6
625.44122	2.6
639.42719	3.8
648.13245	1.5
691.42029	3.2
709.43372	2.1
765.44946	5.8
783.46771	30.3
801.47614	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	0.3
65.65994	0.3
69.03414	0.7
70.03067	1.3
73.02895	0.3
81.03420	0.4
84.96018	0.4
85.02908	1.4
97.02883	1.2
98.20970	0.6
98.97582	14.6
109.02845	0.4
110.97563	0.8
116.98631	5.1
117.03359	0.6
119.04903	0.5
124.98180	0.5
124.99107	9.0
125.05943	0.3
127.03883	0.6
128.98560	1.2
134.99663	0.7
141.02213	1.3
143.00166	28.7
145.02838	1.2
145.04979	0.7
146.03314	0.3
146.99651	0.7
147.04404	1.5
157.01767	1.8
158.99673	8.7
159.03291	3.1
161.01225	33.2
163.03854	0.8
166.01810	0.3
170.99678	1.0
175.02739	1.1
177.00743	3.8
177.04131	2.0
177.05710	1.7
178.05786	0.4
179.02286	6.4
181.04924	0.5
183.03270	0.5
184.02829	0.6
185.01222	38.8
186.01550	0.4
189.00647	0.7
189.04401	0.4
201.00743	0.8
201.04353	2.9
203.02284	69.8
204.02591	0.4
215.02232	2.2
217.03874	1.2
219.01793	5.1
219.05280	1.8
221.03331	13.2
226.03871	2.1
227.02264	0.9
233.03270	2.9
237.02791	3.3
239.04521	1.4
245.03328	24.1
251.04367	0.5
261.02884	2.3
263.04388	13.4
263.85056	0.3
275.04352	1.0
279.04099	1.4
281.05389	0.4
286.06131	0.4
287.04440	1.0
303.07358	0.5
305.05435	10.6
321.05136	0.5
323.06500	23.3
341.07593	4.7
346.08084	0.5
347.06528	1.5
362.09659	1.6
365.07541	11.3
377.07394	0.4
391.09238	1.7
407.08292	0.3
409.10208	11.4
425.09656	2.4
441.41171	0.3
449.09464	0.8
451.11111	1.6
467.10794	8.4
485.11865	1.7
511.13217	0.6
553.14429	3.4
571.15472	100.0
572.15784	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	833.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85116	0.6
67.05496	2.1
69.03439	1.3
70.61878	2.1
71.04977	2.6
75.72369	0.6
77.03934	1.2
79.05496	4.4
81.03407	4.3
81.07046	2.3
83.04983	1.4
91.05476	7.2
93.07059	3.4
95.01320	1.1
95.04971	11.4
95.08630	1.3
97.02921	0.6
99.04466	4.6
103.05471	58.3
104.05817	1.0
105.04558	1.0
105.07037	13.0
107.04959	2.0
107.08598	1.5
109.06511	2.7
111.04469	0.9
115.05449	4.5
117.07003	3.4
119.04947	1.6
119.08582	2.4
121.02902	0.8
121.06538	3.2
123.04414	1.6
123.08087	1.0
125.06007	1.6
128.06230	2.8
129.07010	3.8
130.07829	0.8
131.04932	100.0
131.08574	4.5
132.05289	2.0
132.83496	0.6
133.06490	11.6
133.10179	1.3
135.04396	0.6
135.08028	3.5
137.05959	1.9
141.06952	3.6
142.07796	3.3
143.08562	7.5
145.06496	4.3
145.10133	1.9
147.04362	0.7
147.08078	1.8
149.05984	1.8
151.07562	1.1
152.06194	1.0
153.05571	0.8
153.07016	2.0
154.07777	2.3
155.06041	0.7
155.08524	4.3
156.09367	4.1
156.10419	0.6
157.06503	2.7
157.10165	4.7
158.07249	1.5
159.08054	6.2
159.11665	1.3
161.05989	28.1
161.09644	1.7
163.07562	5.1
165.05611	1.1
165.06995	2.7
166.07814	2.1
167.08583	3.0
168.09441	0.8
168.61699	0.8
169.06488	4.0
169.10115	6.5
170.10951	0.8
171.08122	3.4
171.11707	5.6
172.08824	1.2
173.05975	2.8
173.09645	2.8
175.07571	1.9
177.05527	1.6
177.09233	1.4
178.07782	1.5
179.07063	1.8
179.08575	2.8
180.09299	1.1
181.06480	1.0
181.10123	2.0
182.07332	2.3
183.08015	4.7
183.11726	2.0
184.08839	3.4
185.06004	1.3
185.09625	5.3
186.10365	0.7
187.07578	4.3
187.11185	3.1
189.09074	1.7
191.08574	0.8
192.09477	0.9
193.10141	1.6
194.10794	0.6
195.08131	4.0
195.11749	1.3
196.08937	2.0
197.05994	0.8
197.09634	10.6
198.06778	0.8
198.10402	1.4
199.07567	3.0
199.11194	15.5
201.05354	0.8
201.09132	1.6
203.06995	1.6
204.09402	0.8
205.08527	1.6
205.10262	1.1
207.08060	2.2
207.11794	0.9
208.08794	0.8
209.09631	1.9
210.06752	0.7
211.07535	2.9
211.11198	2.9
213.09134	5.6
213.12851	0.9
215.07001	1.7
215.08856	0.9
215.10716	3.6
217.08589	2.0
217.10353	1.2
219.11742	1.0
221.09669	1.7
223.07597	2.0
223.11191	2.4
224.08260	0.8
225.05659	0.9
225.09108	14.2
225.11147	1.2
227.07022	1.6
227.10719	1.8
229.08482	1.7
229.12236	1.2
230.10866	0.9
231.10046	1.2
233.07829	1.4
235.07556	1.7
235.11324	1.1
237.09140	1.9
237.12686	1.2
239.10745	1.3
241.08607	6.0
243.10202	2.3
244.12477	0.8
245.07953	1.6
246.08896	0.8
247.09413	3.3
249.09169	1.6
249.12953	1.0
251.07005	0.7
251.10727	1.7
253.08644	2.1
253.12231	1.0
255.10210	2.6
257.07965	11.4
257.11868	1.7
259.09525	6.5
262.09766	0.8
267.10223	2.1
269.08002	0.7
271.09436	1.0
273.11319	1.4
279.10315	1.9
283.09784	1.3
284.11945	1.2
285.11133	4.3
287.13916	0.9
289.12250	0.8
297.12726	0.8
298.13190	0.8
301.10596	5.7
303.12463	2.8
313.12253	1.5
313.15738	0.9
315.13837	1.7
319.12067	0.9
325.12061	1.1
327.10016	0.8
329.15341	1.1
331.16812	1.4
333.14896	1.0
339.13849	1.2
341.15121	0.8
342.12674	1.0
343.13330	1.6
347.16339	1.8
349.18182	1.2
355.13281	1.3
357.14844	2.4
359.16376	1.9
361.14651	0.8
367.13312	1.2
373.14386	2.8
375.15735	1.3
377.17422	1.8
385.14270	3.7
391.15479	1.0
393.16916	0.8
395.18738	1.2
401.13910	2.1
403.15262	3.8
413.13800	1.5
419.14981	1.2
421.16202	3.3
427.15329	1.1
431.14859	2.3
433.16626	2.0
445.16501	4.8
449.15942	2.5
451.17514	3.5
463.17548	12.1
471.20203	5.5
481.18439	6.5
487.19687	4.5
489.21017	1.2
499.19711	0.9
543.20294	1.2
551.13470	0.8
561.20898	1.4
619.25165	2.1
637.26300	3.5
649.26453	6.2
667.26904	6.3
685.28149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
62.02218	0.7
66.22071	0.6
67.05491	3.1
69.03427	0.9
69.07057	1.0
70.14606	2.7
70.14953	0.8
71.04988	1.0
77.03949	0.7
79.05493	2.9
81.03402	2.1
81.07050	1.8
87.04470	1.8
91.05460	2.4
93.07046	1.7
94.08414	0.7
95.04979	5.4
95.08608	1.5
97.02913	1.7
98.06032	0.7
103.05472	45.5
105.04507	1.1
105.07035	4.8
107.08601	1.0
109.10220	0.8
115.05456	0.9
117.07015	1.1
118.06537	1.2
119.04963	0.9
119.08588	1.3
120.47269	0.7
121.06473	1.0
123.08021	1.0
128.06215	1.7
129.06978	1.4
131.04933	100.0
133.06479	5.4
135.08072	0.8
141.07079	1.0
142.07794	1.0
143.08560	2.1
145.06497	1.8
145.10126	0.8
149.05960	1.4
154.07610	0.8
155.08536	1.5
156.09380	1.7
157.10158	2.1
159.08080	1.7
161.05989	10.6
163.07568	2.0
167.08618	0.8
169.10120	2.1
170.10915	1.0
171.08044	1.9
171.11658	2.3
173.06116	0.9
173.09590	1.0
179.08582	1.0
181.10185	1.0
183.08040	1.4
183.11703	1.2
184.08878	1.6
185.09598	1.4
187.07574	1.7
187.11168	1.0
197.09692	4.5
198.10402	0.8
199.07588	1.2
199.11197	7.8
207.08089	0.9
209.09706	1.1
211.07460	0.7
211.11255	1.0
213.09106	2.6
215.10641	2.0
219.07942	0.7
223.07475	1.4
223.11145	1.0
225.05595	1.0
225.09099	7.2
225.12672	1.0
227.10793	1.1
230.15422	3.5
237.08989	0.9
241.08577	2.4
241.12259	0.8
243.10172	2.2
247.09738	0.9
249.16742	0.9
253.08508	1.8
255.10216	1.3
257.08005	5.1
259.09708	2.5
265.08664	1.2
267.09955	1.3
267.15860	1.0
273.11255	1.0
283.09665	1.0
285.11325	3.3
301.10742	2.5
303.12299	2.5
334.20230	0.9
335.25677	1.5
357.14691	1.0
373.14282	1.0
385.14227	1.2
391.15036	0.9
401.13785	1.4
403.15372	1.5
421.16467	0.9
433.16550	3.3
435.17706	0.9
445.16434	2.5
449.15860	3.5
451.17459	2.3
453.18594	0.7
463.17517	7.3
481.18582	4.6
527.37640	1.3
581.20538	0.9
593.21283	1.7
599.22479	1.9
611.22937	8.0
629.23798	9.5
647.24677	2.2
830.50769	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	830.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31242	0.8
67.05514	3.8
69.07059	1.1
79.05503	4.1
81.03413	2.8
81.07052	1.9
82.06598	0.8
83.04992	1.2
85.02902	1.2
87.04474	1.8
91.05489	3.1
93.07053	2.2
95.04977	4.8
95.08590	1.7
97.02886	0.9
103.05476	49.9
105.04511	0.8
105.07027	5.1
105.64116	0.7
109.06519	0.7
111.04453	0.7
115.05477	1.3
117.07021	1.1
118.06553	2.0
119.08588	0.9
128.06253	1.0
131.04935	100.0
133.06519	4.0
133.10100	0.9
134.08073	0.8
135.08092	1.6
141.06992	1.5
142.07689	0.7
143.08560	2.7
145.06491	1.8
145.10127	1.3
147.08022	0.9
149.09633	1.3
155.08598	1.3
156.09381	1.6
157.10078	1.6
159.08031	1.7
161.06003	8.9
163.07533	2.3
165.07002	1.1
166.07938	0.9
167.08514	1.3
169.06558	1.2
169.10147	2.3
171.08006	2.0
171.11691	2.6
175.07541	0.9
179.07051	1.0
179.08643	1.5
183.08052	2.1
184.08791	1.6
185.09605	2.7
187.07584	1.7
187.11217	1.1
193.10239	1.0
197.09645	3.5
199.07509	1.3
199.11159	6.0
207.08138	0.9
209.09663	1.0
213.09027	1.8
219.09909	0.9
223.07635	0.8
225.09102	5.8
230.15410	7.2
239.10710	1.4
241.08556	2.2
243.10049	1.9
253.08591	1.2
255.10062	1.6
257.08017	5.2
259.09695	3.3
267.10104	1.3
267.16000	1.8
283.09683	1.4
285.11295	2.9
301.10663	3.6
303.12204	1.1
304.19385	0.9
334.20200	1.3
335.25699	1.8
357.15109	0.8
385.14249	1.9
395.18881	0.8
403.15207	2.7
426.02768	0.8
431.14984	1.1
433.16528	1.9
445.16534	1.9
449.15915	2.6
451.17291	1.9
463.17468	6.1
481.18552	4.7
490.36487	0.9
581.21289	1.0
593.20679	1.0
599.23096	2.0
611.22644	5.2
629.23633	8.2
647.24829	2.4
830.50610	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	830.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67695	0.6
65.03943	0.6
67.05487	1.9
77.03941	1.3
79.05491	2.1
81.03419	1.6
81.07050	0.9
82.06570	1.9
86.06062	1.2
87.61646	0.5
91.05475	2.2
93.07035	1.4
95.04973	4.6
97.06523	0.6
98.06082	0.8
98.20734	1.3
100.07621	6.0
102.04647	0.6
103.05469	52.7
105.04526	0.9
105.07039	4.7
107.08598	1.0
109.06536	1.2
115.05446	1.2
115.97292	0.5
116.67382	0.4
117.07027	1.5
119.08593	1.2
121.06496	1.4
123.04414	0.9
123.08055	0.7
125.06005	0.9
128.06201	1.2
129.06996	2.2
131.04930	100.0
131.08603	1.8
132.05249	1.2
133.06512	4.0
133.10124	1.1
135.08067	0.9
137.05992	1.1
141.06996	1.2
142.07764	0.7
143.08566	3.0
144.08060	0.6
145.06499	1.7
146.08128	14.2
147.08009	0.6
149.06052	0.8
154.07735	0.6
155.08545	1.0
156.09354	2.3
157.06517	0.8
157.10120	1.5
159.08052	2.2
161.05997	8.5
163.07556	1.4
165.07028	1.0
166.07808	0.9
167.08598	1.0
169.06496	1.2
169.10089	2.5
171.08046	2.3
171.11656	2.6
173.05984	0.7
173.09628	1.0
175.07559	0.6
178.07834	0.6
179.07140	0.9
179.08649	1.5
181.10158	1.1
182.07333	0.7
183.08098	1.6
184.08806	1.1
185.06068	0.6
185.09613	2.4
187.07587	1.5
187.11136	1.2
189.05653	0.6
189.09081	0.6
193.10136	0.9
195.08093	1.0
195.11717	0.8
196.08887	0.7
197.09578	3.4
198.10423	0.6
199.07585	0.8
199.11186	7.8
201.09068	0.9
205.08661	0.8
207.08086	1.0
208.37589	0.5
209.09641	1.0
210.02953	0.5
211.11220	1.0
213.09096	2.0
215.07033	0.7
215.10628	1.2
221.09489	0.8
223.07454	1.1
223.11157	1.0
225.09135	4.2
227.10667	0.8
233.13335	0.7
235.07661	0.6
235.11201	0.5
237.09094	1.0
239.07048	0.6
241.08389	2.3
243.10226	1.6
245.07993	1.0
247.09464	0.9
249.09151	0.7
251.10706	0.9
253.08574	0.7
255.10234	1.0
257.08099	5.5
257.11719	1.1
259.09686	2.8
267.10245	1.0
271.09628	1.4
285.11319	2.3
301.10648	3.0
303.12222	1.1
329.15225	0.5
331.13187	0.6
333.19016	0.6
347.69156	0.5
357.14603	0.6
359.16443	1.0
373.14276	0.8
374.17352	0.5
375.16119	0.5
377.17499	1.4
385.14417	1.3
395.18671	1.2
401.13544	1.2
403.15228	1.3
421.16248	0.6
431.15039	1.0
433.16562	3.6
445.16507	1.4
449.15836	2.1
451.17493	1.7
463.17496	5.3
467.17627	0.6
481.18546	2.9
499.19647	0.7
593.22046	1.3
597.20551	0.6
606.43604	0.8
611.22528	2.2
629.23474	3.4
647.24835	1.0
649.44806	0.7
812.50275	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04986	0.6
61.02931	5.3
67.05510	7.6
69.03435	3.7
69.07079	1.3
69.35450	4.1
71.05044	0.5
71.08663	0.6
73.02915	3.7
79.05489	5.1
81.03428	1.8
81.07059	5.2
81.99276	0.4
82.07424	0.5
83.05008	0.8
83.08636	1.1
85.02914	5.6
91.03969	3.3
91.05492	3.9
93.07050	5.1
95.08620	4.3
97.02908	5.2
97.10168	0.9
98.20767	0.7
99.04478	0.4
101.02402	1.9
105.07031	2.5
105.63068	0.5
107.08588	3.1
109.02907	1.1
109.06519	0.5
109.10175	4.0
110.10509	0.6
115.03990	0.5
117.07045	0.7
119.08624	2.0
121.10154	2.2
127.03957	1.1
131.08624	2.1
133.10164	1.3
135.11728	0.9
136.67340	0.4
136.97527	0.4
143.08615	0.5
145.10150	0.9
149.13345	0.7
173.11821	0.6
185.04292	0.8
190.17303	0.4
229.14377	2.7
230.14735	1.0
243.08563	1.8
313.27444	1.6
314.27850	2.0
331.18823	9.1
331.22534	0.6
333.53995	0.6
413.18024	0.8
467.37418	0.8
468.37756	1.1
472.98935	0.5
519.29401	6.1
549.27002	3.1
589.06293	0.5
827.49213	100.0
828.49164	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	829.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.9
63.64674	1.4
67.05516	6.5
69.03445	2.0
71.55562	2.7
73.02931	4.5
79.05524	2.9
81.03400	1.9
81.07069	5.3
85.02921	3.9
91.03979	4.5
93.07086	4.4
95.08637	2.7
97.02912	3.8
101.02383	2.3
105.07031	2.0
107.08630	2.7
119.08527	1.6
121.10214	2.2
127.03947	2.1
127.15819	1.6
179.73233	1.7
229.45917	1.4
243.08498	2.1
380.37228	1.8
388.72879	1.8
390.42810	1.8
422.98245	1.8
519.29437	7.0
551.28564	5.0
829.50763	100.0
830.51056	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	827.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.0
67.05518	11.3
69.03418	5.6
70.06590	2.6
70.65672	4.6
70.66003	1.8
74.09741	2.4
79.05495	11.1
81.03427	10.9
81.07050	5.1
83.04974	5.6
85.02908	5.0
91.05475	21.6
93.07046	11.5
95.01312	3.2
95.04977	17.1
95.08634	4.3
97.02904	5.5
97.06538	3.4
99.00842	2.4
103.05476	10.5
105.03362	2.3
105.07032	39.3
107.04953	12.4
107.08610	7.9
109.02866	5.3
109.06514	7.7
111.04404	3.8
115.05460	10.1
116.06242	2.1
117.07003	12.6
119.04951	3.5
119.08601	11.9
121.02885	2.3
121.06513	8.9
123.04407	3.7
123.08064	6.0
125.05977	3.3
127.03873	2.3
128.06226	13.1
129.07054	14.1
130.07750	2.5
131.04967	12.7
131.08572	19.5
133.05592	3.3
133.06502	37.6
133.10149	4.2
135.04408	11.3
135.08073	8.5
137.05978	5.9
141.07002	13.2
142.07755	8.7
143.08566	28.7
143.79417	1.8
145.06502	19.6
145.10135	5.6
146.08116	2.2
147.04396	2.2
147.08040	7.6
149.05966	6.2
149.09586	2.2
151.07559	3.1
152.06171	3.3
153.07057	5.5
154.07785	3.7
155.06096	2.0
155.08562	9.9
156.09343	19.6
157.06528	4.8
157.10135	17.0
158.07268	7.0
159.08086	19.8
159.11688	5.7
161.04639	2.6
161.05984	51.9
161.09633	5.4
163.03883	10.0
163.07576	9.5
165.06969	11.5
166.07787	5.4
167.08531	20.1
168.09354	2.3
169.06477	14.2
169.10132	21.8
170.07314	4.5
170.10797	3.3
171.08052	12.6
171.11684	17.8
172.08859	3.1
173.05939	3.6
173.09654	10.0
173.13278	2.1
175.07542	5.9
175.11232	3.5
177.05560	3.9
177.09085	4.2
178.07777	3.0
179.07022	7.1
179.08571	7.4
180.09436	3.6
181.04991	2.4
181.06517	3.2
181.10112	7.9
182.07249	3.2
182.10817	2.1
183.08084	16.2
183.11681	6.2
184.08850	17.1
185.05960	6.7
185.09628	16.7
185.13301	2.3
187.07573	12.5
187.11176	7.0
189.05486	3.3
189.09122	6.3
191.07047	2.6
191.08597	5.0
192.09346	3.1
193.10162	6.7
193.41881	2.1
194.10909	2.1
195.08086	12.1
195.11702	4.2
196.08855	4.8
197.06114	3.1
197.09615	30.8
198.10326	5.9
199.07610	9.9
199.11192	100.0
200.11629	2.4
201.05556	1.9
201.09096	6.6
201.12727	2.0
203.06981	5.1
203.08694	3.5
205.08633	6.1
207.08076	7.3
207.11743	5.6
208.09039	2.6
209.06036	2.4
209.09595	13.7
209.13144	3.5
210.10484	2.4
211.07510	8.3
211.11168	8.5
213.05566	4.0
213.09117	28.5
215.06880	2.2
215.08775	3.5
215.10551	10.4
216.09396	3.6
217.08559	7.9
217.12141	11.3
219.08086	6.0
219.11746	4.0
221.09595	5.3
221.13388	2.4
222.10539	2.3
223.07573	5.5
223.11162	6.1
224.08342	2.7
225.09103	42.8
225.12610	3.7
226.09775	2.0
227.10699	8.9
229.08530	5.2
229.12215	3.1
230.10956	4.3
231.11722	2.6
232.08978	2.7
233.09602	3.3
233.13405	2.4
235.07509	4.8
235.09428	3.8
235.11362	3.6
236.12047	2.3
237.09065	6.4
237.12740	2.2
238.09792	2.1
239.10677	6.5
241.08575	7.9
241.12279	3.9
243.09985	16.0
245.07933	14.6
246.10393	2.7
247.07460	4.2
247.09705	7.3
249.09105	6.7
250.09824	2.3
251.06985	2.7
251.10724	4.5
253.08553	7.2
253.12384	3.6
255.09900	9.1
256.12482	2.0
257.11685	3.4
258.13995	2.8
259.09607	4.7
261.12836	2.0
263.10648	3.8
264.11465	2.0
265.08481	6.9
267.10052	11.4
271.09393	15.1
271.14529	1.8
272.12320	2.3
273.12927	3.1
274.13522	2.8
275.06995	2.7
275.13104	2.7
277.08740	2.6
281.11783	4.0
283.11182	3.2
285.11130	16.8
286.13297	2.1
287.10516	2.8
287.14215	3.5
289.12161	2.3
291.10025	3.9
293.08087	5.2
293.11536	2.1
297.11630	3.0
299.14349	3.1
301.12125	2.1
302.12967	2.1
303.12210	20.7
309.11316	4.5
311.14081	3.1
313.12350	4.5
315.13757	3.4
317.11935	2.4
317.15271	2.7
319.11911	3.5
319.16815	2.2
321.13351	5.8
329.15262	5.5
331.13205	2.5
331.16962	4.0
333.14825	3.7
339.13657	3.0
342.12131	2.1
343.13275	4.2
347.12698	2.3
347.16516	4.0
349.18106	4.1
355.13171	5.8
357.14935	4.2
359.16229	6.4
361.14499	2.1
363.15900	2.1
367.13205	3.6
373.14401	9.3
375.15961	6.4
377.17419	7.7
383.12759	3.3
385.14334	8.6
387.15854	3.8
391.15366	3.5
393.17023	2.4
395.18509	7.5
401.13876	6.1
403.15445	12.6
405.16797	6.8
413.13721	5.4
417.16534	2.6
419.14883	5.6
421.16440	7.7
431.14694	6.1
433.16226	11.5
435.18045	3.5
439.17502	10.2
445.16568	6.8
449.15686	5.9
451.17471	8.2
463.17511	31.4
469.18594	6.7
481.18643	24.3
499.19678	10.7
517.20416	3.1
613.20801	23.2
614.48181	1.9
710.67749	2.1
773.26843	2.2
781.65320	2.1
791.26294	7.7
809.27100	4.1
827.41901	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	827.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.0
67.05518	11.3
69.03418	5.6
70.06590	2.6
70.65672	4.6
70.66003	1.8
74.09741	2.4
79.05495	11.1
81.03427	10.9
81.07050	5.1
83.04974	5.6
85.02908	5.0
91.05475	21.6
93.07046	11.5
95.01312	3.2
95.04977	17.1
95.08634	4.3
97.02904	5.5
97.06538	3.4
99.00842	2.4
103.05476	10.5
105.03362	2.3
105.07032	39.3
107.04953	12.4
107.08610	7.9
109.02866	5.3
109.06514	7.7
111.04404	3.8
115.05460	10.1
116.06242	2.1
117.07003	12.6
119.04951	3.5
119.08601	11.9
121.02885	2.3
121.06513	8.9
123.04407	3.7
123.08064	6.0
125.05977	3.3
127.03873	2.3
128.06226	13.1
129.07054	14.1
130.07750	2.5
131.04967	12.7
131.08572	19.5
133.05592	3.3
133.06502	37.6
133.10149	4.2
135.04408	11.3
135.08073	8.5
137.05978	5.9
141.07002	13.2
142.07755	8.7
143.08566	28.7
143.79417	1.8
145.06502	19.6
145.10135	5.6
146.08116	2.2
147.04396	2.2
147.08040	7.6
149.05966	6.2
149.09586	2.2
151.07559	3.1
152.06171	3.3
153.07057	5.5
154.07785	3.7
155.06096	2.0
155.08562	9.9
156.09343	19.6
157.06528	4.8
157.10135	17.0
158.07268	7.0
159.08086	19.8
159.11688	5.7
161.04639	2.6
161.05984	51.9
161.09633	5.4
163.03883	10.0
163.07576	9.5
165.06969	11.5
166.07787	5.4
167.08531	20.1
168.09354	2.3
169.06477	14.2
169.10132	21.8
170.07314	4.5
170.10797	3.3
171.08052	12.6
171.11684	17.8
172.08859	3.1
173.05939	3.6
173.09654	10.0
173.13278	2.1
175.07542	5.9
175.11232	3.5
177.05560	3.9
177.09085	4.2
178.07777	3.0
179.07022	7.1
179.08571	7.4
180.09436	3.6
181.04991	2.4
181.06517	3.2
181.10112	7.9
182.07249	3.2
182.10817	2.1
183.08084	16.2
183.11681	6.2
184.08850	17.1
185.05960	6.7
185.09628	16.7
185.13301	2.3
187.07573	12.5
187.11176	7.0
189.05486	3.3
189.09122	6.3
191.07047	2.6
191.08597	5.0
192.09346	3.1
193.10162	6.7
193.41881	2.1
194.10909	2.1
195.08086	12.1
195.11702	4.2
196.08855	4.8
197.06114	3.1
197.09615	30.8
198.10326	5.9
199.07610	9.9
199.11192	100.0
200.11629	2.4
201.05556	1.9
201.09096	6.6
201.12727	2.0
203.06981	5.1
203.08694	3.5
205.08633	6.1
207.08076	7.3
207.11743	5.6
208.09039	2.6
209.06036	2.4
209.09595	13.7
209.13144	3.5
210.10484	2.4
211.07510	8.3
211.11168	8.5
213.05566	4.0
213.09117	28.5
215.06880	2.2
215.08775	3.5
215.10551	10.4
216.09396	3.6
217.08559	7.9
217.12141	11.3
219.08086	6.0
219.11746	4.0
221.09595	5.3
221.13388	2.4
222.10539	2.3
223.07573	5.5
223.11162	6.1
224.08342	2.7
225.09103	42.8
225.12610	3.7
226.09775	2.0
227.10699	8.9
229.08530	5.2
229.12215	3.1
230.10956	4.3
231.11722	2.6
232.08978	2.7
233.09602	3.3
233.13405	2.4
235.07509	4.8
235.09428	3.8
235.11362	3.6
236.12047	2.3
237.09065	6.4
237.12740	2.2
238.09792	2.1
239.10677	6.5
241.08575	7.9
241.12279	3.9
243.09985	16.0
245.07933	14.6
246.10393	2.7
247.07460	4.2
247.09705	7.3
249.09105	6.7
250.09824	2.3
251.06985	2.7
251.10724	4.5
253.08553	7.2
253.12384	3.6
255.09900	9.1
256.12482	2.0
257.11685	3.4
258.13995	2.8
259.09607	4.7
261.12836	2.0
263.10648	3.8
264.11465	2.0
265.08481	6.9
267.10052	11.4
271.09393	15.1
271.14529	1.8
272.12320	2.3
273.12927	3.1
274.13522	2.8
275.06995	2.7
275.13104	2.7
277.08740	2.6
281.11783	4.0
283.11182	3.2
285.11130	16.8
286.13297	2.1
287.10516	2.8
287.14215	3.5
289.12161	2.3
291.10025	3.9
293.08087	5.2
293.11536	2.1
297.11630	3.0
299.14349	3.1
301.12125	2.1
302.12967	2.1
303.12210	20.7
309.11316	4.5
311.14081	3.1
313.12350	4.5
315.13757	3.4
317.11935	2.4
317.15271	2.7
319.11911	3.5
319.16815	2.2
321.13351	5.8
329.15262	5.5
331.13205	2.5
331.16962	4.0
333.14825	3.7
339.13657	3.0
342.12131	2.1
343.13275	4.2
347.12698	2.3
347.16516	4.0
349.18106	4.1
355.13171	5.8
357.14935	4.2
359.16229	6.4
361.14499	2.1
363.15900	2.1
367.13205	3.6
373.14401	9.3
375.15961	6.4
377.17419	7.7
383.12759	3.3
385.14334	8.6
387.15854	3.8
391.15366	3.5
393.17023	2.4
395.18509	7.5
401.13876	6.1
403.15445	12.6
405.16797	6.8
413.13721	5.4
417.16534	2.6
419.14883	5.6
421.16440	7.7
431.14694	6.1
433.16226	11.5
435.18045	3.5
439.17502	10.2
445.16568	6.8
449.15686	5.9
451.17471	8.2
463.17511	31.4
469.18594	6.7
481.18643	24.3
499.19678	10.7
517.20416	3.1
613.20801	23.2
614.48181	1.9
710.67749	2.1
773.26843	2.2
781.65320	2.1
791.26294	7.7
809.27100	4.1
827.41901	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	826.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93068	0.4
59.05006	2.7
61.02932	8.5
65.03949	1.0
67.05508	50.8
69.03429	1.4
69.07076	4.2
70.13454	1.4
71.04987	1.9
71.08636	13.2
73.02915	3.3
79.05487	1.0
81.03439	0.7
81.07064	11.9
83.08622	8.8
83.30730	0.3
85.02913	11.1
85.06561	2.1
85.10188	7.5
89.06035	0.6
91.03960	7.0
91.05476	3.0
93.07054	2.2
95.04981	0.4
95.08614	12.4
96.04437	0.4
97.02893	5.0
97.10187	2.5
99.04469	0.7
99.08070	0.7
99.11695	0.6
103.07610	1.0
107.08609	1.3
109.02906	0.6
109.10162	57.4
111.08086	1.9
111.11731	0.5
114.73341	0.4
115.03960	0.4
119.08585	3.6
123.11711	2.0
125.13329	0.6
127.03946	2.9
137.09653	2.1
137.13235	0.7
145.04941	3.0
155.10687	6.8
159.50819	0.3
163.06020	4.4
173.11751	14.0
215.82146	0.4
229.14363	100.0
230.14699	1.5
239.23698	1.7
257.24786	1.8
269.91974	0.4
313.27377	72.7
314.27628	1.1
314.57889	0.4
467.37360	62.5
468.37689	1.3
493.95731	0.4
523.61023	0.4
577.73694	0.4
616.75824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.0
65.03940	4.0
67.05508	90.5
69.03420	8.1
69.07072	23.2
70.06596	2.5
71.04988	5.7
71.56615	2.1
73.02937	2.3
79.05495	91.4
81.03413	8.9
81.07058	78.1
82.38900	2.1
83.04999	6.2
83.08620	30.8
85.02901	4.9
85.06555	3.9
89.71227	2.2
91.05482	53.1
93.07047	70.9
95.04951	6.7
95.08611	54.9
97.02865	3.2
97.06534	7.3
97.10176	53.7
105.07031	51.1
105.07684	3.8
107.04960	8.7
107.07866	4.7
107.08595	94.9
109.02911	3.8
109.06520	6.5
109.10166	31.4
111.08089	4.7
116.07093	3.6
117.07022	16.9
119.08582	29.7
121.10144	29.2
123.08038	2.4
123.11706	13.9
125.09632	57.8
127.03902	3.7
129.06990	9.8
131.04994	2.1
131.08553	19.4
133.10129	28.6
135.08047	7.3
135.11710	16.8
136.06200	6.9
137.09644	3.8
141.07037	2.4
143.08563	7.5
145.10130	27.1
147.11670	22.0
149.09647	11.2
149.13268	9.5
153.09111	4.2
155.08553	3.2
157.10147	8.6
159.11647	14.6
161.13249	8.7
163.11110	3.0
163.14845	3.9
169.10112	2.7
171.10329	3.7
171.11688	5.8
173.11826	3.3
173.13274	12.3
183.11710	5.8
185.13277	6.7
187.13306	2.3
187.14795	3.4
189.11230	26.6
197.13197	2.5
215.17953	2.6
219.17551	3.3
227.12790	87.6
228.75827	2.2
229.19516	2.9
239.17961	5.6
243.21077	4.2
257.18982	15.0
259.20581	9.3
261.22159	14.1
275.20084	70.8
281.58563	2.4
331.22653	9.6
333.24243	7.8
335.25827	92.9
349.23764	71.3
351.25302	6.1
389.17978	5.7
441.33759	3.3
487.34366	4.7
505.35056	10.6
517.39960	3.6
535.41272	3.1
609.45160	100.0
610.45575	4.6
627.46289	22.6
824.53955	2.7
825.47034	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	824.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	3.2
65.03932	2.4
67.05508	76.6
69.03423	5.3
69.07070	22.4
70.06593	4.1
70.99680	3.3
71.04980	5.4
77.32841	1.7
79.05498	72.0
80.05783	1.8
81.03395	5.4
81.06586	3.6
81.07061	65.6
83.04958	6.4
83.08622	27.1
85.02904	3.9
85.06541	2.2
91.04972	2.8
91.05487	43.5
93.07050	66.3
95.04966	9.2
95.08612	53.6
97.02859	3.1
97.06529	4.9
97.10177	46.3
99.08112	2.3
105.07030	46.0
107.04937	5.3
107.08601	71.7
108.50687	1.6
109.02866	4.3
109.06504	5.5
109.10155	29.9
111.08039	3.7
116.07067	4.9
117.07028	16.6
119.08579	30.8
121.10144	27.5
123.08066	1.8
123.11700	6.9
123.79613	1.7
125.09639	39.9
127.03869	3.3
129.06970	3.2
131.04918	5.4
131.08575	19.1
133.10143	23.0
135.08028	5.1
135.11682	18.1
137.09518	2.1
143.08575	6.8
145.10126	21.7
145.55878	1.8
147.11691	15.3
149.09595	7.5
149.13246	9.4
153.09087	2.0
157.10117	4.6
159.11736	12.7
161.13274	10.3
163.11140	3.1
163.14827	3.6
169.10147	2.4
171.10181	3.7
171.11682	4.3
173.13225	8.9
175.11115	1.9
175.14854	3.9
183.11720	2.3
185.13277	5.8
187.14850	2.7
189.11208	19.7
197.13330	2.6
199.14847	2.1
201.16393	2.4
203.14282	2.7
219.17424	4.4
227.10568	2.6
227.12793	47.5
239.17990	2.4
243.21094	3.8
245.13901	2.7
257.19003	7.8
259.20529	4.8
261.22137	16.6
275.20059	38.4
289.00385	1.8
331.22543	5.6
333.24170	4.8
335.25815	94.0
349.23792	50.4
351.25241	1.8
389.18015	6.3
487.33884	5.0
505.35257	21.0
547.26648	3.5
591.43524	3.4
609.45148	100.0
610.45166	4.1
627.46173	16.3
643.76202	2.0
649.39142	6.3
825.47925	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	823.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93961	3.6
65.03951	11.5
67.05502	32.5
69.03419	8.0
69.07088	5.4
71.01351	4.5
71.56084	5.8
79.05495	43.1
81.03415	29.8
81.07060	27.0
83.04974	14.8
83.08594	5.7
89.03913	10.7
91.05481	84.9
93.03391	5.3
93.07043	40.8
95.04975	69.6
95.08611	16.2
97.02924	8.2
97.06538	5.2
97.10138	4.3
99.00804	5.3
103.05492	30.4
105.03397	5.6
105.07040	72.0
107.04933	20.2
107.08587	15.7
109.02873	21.5
109.06517	24.0
109.10190	9.7
111.04466	6.2
112.00951	4.1
115.05447	24.3
116.06233	12.1
117.03403	19.0
117.07014	40.9
119.04949	16.9
119.08617	31.4
121.02874	8.0
121.06512	38.1
121.10152	7.0
123.04451	13.2
123.08044	7.7
125.05993	9.9
128.06242	34.7
129.07014	48.3
130.07726	7.1
131.04910	38.8
131.08572	76.4
133.06493	56.2
133.10141	17.0
135.04431	11.0
135.08057	22.3
137.02344	22.0
137.05995	14.3
137.09592	4.4
139.03885	6.6
141.06978	38.7
142.07779	28.8
143.08548	52.6
144.05675	4.6
145.02852	42.7
145.06485	54.7
145.10147	24.6
146.07219	8.5
147.04395	7.2
147.08064	33.2
149.05989	34.1
149.09634	8.0
151.07620	5.6
152.06213	13.6
153.05478	20.6
153.06975	15.1
154.07785	16.0
155.04895	5.7
155.06021	7.6
155.08597	26.7
156.09346	28.1
157.06482	11.8
157.10106	34.0
158.07291	10.9
159.04399	13.6
159.08055	75.1
159.11739	10.5
161.05988	61.8
161.09644	20.6
162.06686	6.8
163.03951	13.3
163.07547	25.8
165.05556	9.3
165.07001	39.1
166.07771	17.9
167.08554	62.6
168.09355	9.0
169.06514	26.6
169.10129	39.1
170.07338	5.7
170.10927	9.2
171.04355	6.1
171.08060	33.1
171.11661	22.8
172.08765	5.6
173.06012	12.6
173.09657	26.1
175.07559	22.2
177.05482	98.7
177.06888	5.6
177.09109	10.4
178.07777	15.2
179.07036	19.6
179.08569	28.6
180.09381	11.8
181.04970	11.1
181.06493	9.7
181.10123	28.4
182.07295	10.7
182.10925	8.3
183.08069	39.6
183.11703	19.4
184.08870	22.4
185.06004	15.5
185.09604	36.0
186.10341	5.8
187.07536	74.3
187.11122	9.2
189.05481	7.3
189.09108	16.1
190.07747	6.2
191.07037	6.7
191.08553	20.6
191.10161	4.4
192.09381	15.8
193.10161	26.8
195.06450	9.7
195.08078	41.7
195.11694	19.5
196.08838	15.1
197.06017	8.0
197.09605	63.2
198.10378	8.1
199.07539	21.7
199.11191	100.0
200.11758	5.2
201.05539	7.0
201.09094	16.1
201.12814	4.9
202.07753	10.5
203.07033	13.0
203.08694	9.6
203.10626	7.4
204.09332	6.0
205.06711	6.8
205.08565	18.4
205.10184	11.0
206.10986	12.3
207.08069	12.1
207.11748	16.6
208.08905	14.3
209.06125	5.8
209.09668	26.8
209.13159	8.4
211.07547	19.4
211.11191	17.2
212.08398	29.5
213.05530	5.9
213.09067	21.2
213.12839	4.9
215.06995	10.7
215.08867	5.1
215.10695	18.0
216.09357	9.9
217.08517	56.4
217.12158	9.4
218.07353	6.2
219.08202	27.4
219.09930	7.9
219.11681	13.0
220.08800	7.8
221.09651	18.9
221.13310	12.8
222.10426	7.4
223.07549	19.8
223.11118	28.7
224.08295	8.3
224.11876	5.1
225.09076	79.2
226.09869	12.5
227.06961	7.1
227.10634	35.4
228.09464	5.9
229.08601	15.6
229.10445	7.1
229.12222	6.2
230.10913	8.1
231.11798	10.1
232.08934	6.0
232.12518	5.8
233.07820	7.3
233.09691	13.2
233.13281	9.0
234.10403	9.2
235.07494	10.4
235.09476	11.4
235.11301	15.0
235.14786	6.2
236.11972	7.4
237.09087	15.4
237.12772	12.0
239.10732	15.0
241.08534	13.6
241.10426	7.5
241.12315	6.8
242.11032	8.9
243.10162	18.7
244.12527	13.5
245.07860	27.8
245.13458	8.2
246.10495	6.0
247.07440	5.6
247.09544	63.0
249.09061	10.8
250.10004	5.2
251.10730	25.5
253.08295	8.5
253.10254	7.3
253.12320	12.7
254.10930	7.2
255.09781	19.7
256.12457	7.9
257.09583	5.9
258.10416	13.4
258.14008	9.2
259.11407	9.1
259.14929	7.3
260.12051	7.3
261.09052	13.4
261.12842	9.0
263.10641	15.4
263.14188	5.9
264.11459	5.4
265.10413	8.5
267.09973	24.4
268.12619	6.5
269.13416	6.2
270.10349	9.7
271.11090	12.5
271.14792	6.7
272.11966	13.3
273.08981	5.5
273.12833	10.5
274.13690	5.2
275.10803	9.0
275.14194	7.9
276.11252	4.7
277.12378	7.0
279.10043	25.6
281.11765	18.0
283.09442	5.7
285.11072	50.7
286.13510	5.7
287.10510	5.5
287.14258	13.5
289.12170	10.8
291.10184	8.4
291.13815	5.4
293.11880	5.0
296.11816	5.9
297.12796	9.4
299.10205	6.8
299.13974	5.6
300.11520	7.9
301.12195	14.1
301.15790	7.0
303.12543	24.7
305.11633	8.9
305.15274	10.8
307.09680	14.6
309.11395	6.0
311.13474	10.2
313.12180	7.4
314.12766	6.1
315.13651	19.2
317.11661	10.3
317.15353	6.8
319.13339	6.6
323.12653	6.2
325.11673	10.0
327.13428	6.8
329.11642	8.9
329.15286	17.7
331.13184	15.4
331.16919	7.1
333.14816	16.4
335.16580	8.0
339.13666	9.4
341.14832	5.8
343.13324	12.9
345.14948	23.6
347.12616	7.3
347.16452	26.9
349.18033	7.8
355.13284	11.4
357.14792	25.5
359.16553	19.7
361.14432	21.2
363.15808	6.8
365.17645	4.7
367.12949	11.4
371.12723	11.3
373.14380	29.9
375.15936	32.5
377.17694	22.1
379.15649	7.9
383.12720	15.1
385.14432	38.9
387.15759	8.1
389.13629	8.2
391.15335	17.3
393.17117	7.8
395.13123	4.7
395.18469	4.9
401.13773	19.3
403.15427	61.7
407.14746	9.9
413.13715	26.2
415.15359	8.6
417.17255	4.8
419.14890	22.6
421.16428	49.8
423.13943	6.9
427.15540	5.5
431.14767	43.3
433.16202	16.7
435.17950	13.5
437.15826	14.8
439.17712	35.7
445.16492	23.4
449.15982	37.3
451.17563	22.4
463.17529	94.4
467.17032	16.9
481.18506	67.0
499.19693	32.9
579.18726	8.3
597.19348	8.5
627.22052	14.4
633.31946	4.9
745.25696	6.6
763.27527	9.6
791.27234	4.9
805.28619	23.2
823.29462	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	822.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.0
57.07064	2.2
59.04967	1.1
65.03925	1.7
67.05511	41.8
68.08443	1.0
69.03427	2.0
69.07076	15.5
71.04974	2.6
79.05499	33.0
81.07063	44.7
83.04981	3.8
83.08627	6.9
85.02927	1.4
85.06544	2.4
86.13976	1.0
91.05486	39.8
93.07055	36.0
95.04965	4.0
95.08613	31.7
97.06540	3.4
97.10178	7.2
98.21503	3.3
103.05495	3.2
105.04527	1.5
105.07041	29.2
107.04971	2.1
107.08600	18.6
109.06513	4.2
109.10172	9.0
111.08080	1.2
115.05456	4.0
116.06225	2.7
117.07029	21.1
119.07798	1.7
119.08597	22.8
121.06522	2.3
121.10155	13.1
123.08096	2.3
123.11723	3.2
124.79081	1.0
125.09622	2.9
128.06215	11.7
129.06995	15.4
130.07814	6.0
131.08578	47.8
133.06483	3.1
133.10158	11.1
135.08032	2.8
135.11711	9.2
136.06216	3.3
137.09616	1.3
141.06990	6.8
142.07773	2.6
143.08569	46.8
143.09703	2.2
145.06503	1.2
145.10133	47.8
146.08083	1.9
147.08049	5.5
147.11690	4.6
149.09618	2.4
149.13284	3.1
151.11191	1.3
152.34802	1.3
154.07796	2.1
155.08569	5.6
157.10114	11.3
159.08057	2.9
159.11708	11.1
161.09682	5.8
161.13272	4.2
165.06972	1.9
167.08614	1.9
169.10126	10.1
171.11720	11.0
173.09587	1.2
173.13274	2.2
175.11208	1.3
181.10179	7.3
183.11676	6.6
185.09677	1.6
185.13280	3.6
195.11700	13.2
195.32835	1.1
197.13278	1.2
199.14844	1.5
201.12733	1.5
209.13286	1.7
211.14972	1.3
213.12848	1.9
227.17905	3.0
237.16418	11.1
245.19102	2.1
255.17467	10.4
261.22086	3.7
271.16870	1.4
273.18500	43.7
275.20218	1.3
329.21176	8.7
335.25827	100.0
336.26154	2.3
347.22180	28.6
347.48209	1.3
364.31683	1.1
365.23154	2.1
388.99103	1.1
522.59619	1.1
589.42401	2.3
607.43628	69.2
625.44720	15.4
787.49579	2.2
814.32880	1.4
822.52246	2.4
853.13074	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	11.3
57.07056	4.5
65.03938	4.1
67.05181	4.3
67.05507	65.9
68.42817	3.0
68.61105	2.7
69.03419	3.6
69.07063	19.8
69.23821	28.0
71.04986	5.6
79.05492	53.8
81.07058	70.1
83.04943	6.4
83.08617	20.5
85.02947	3.4
85.06535	3.9
91.05484	65.8
93.07043	61.9
94.07369	3.8
95.04961	7.5
95.08062	3.7
95.08615	50.7
97.06501	6.3
97.10165	10.0
98.90560	2.7
99.08102	3.0
103.05477	4.0
105.07034	56.3
107.08588	28.2
109.06499	6.6
109.10142	11.2
115.05441	7.6
116.06258	4.3
117.07016	41.9
119.08578	36.2
121.06479	3.8
121.10143	21.8
123.08076	7.0
123.11736	4.1
125.09612	4.9
128.06213	24.5
129.07011	25.6
130.07835	13.2
131.08574	82.0
133.06500	7.0
133.10121	22.4
134.58687	2.8
135.08044	5.7
135.11667	11.5
136.06200	7.2
137.09573	3.3
141.07018	12.8
142.07791	5.0
143.08566	100.0
145.06496	4.8
145.10130	99.1
146.08090	3.5
147.08051	5.0
147.11664	9.0
149.09560	3.5
149.13271	5.3
153.06993	3.2
155.08521	7.6
157.10136	25.5
159.08060	5.0
159.11678	19.8
161.09639	9.7
163.11241	3.4
167.08537	3.3
169.10152	13.4
171.11690	17.7
173.13226	6.7
175.11186	5.5
177.05511	2.9
181.10161	13.9
182.10838	2.9
183.11707	10.8
185.09595	3.1
185.13252	7.3
195.11789	19.7
199.14903	4.1
201.12706	3.9
209.13443	2.4
213.12732	4.1
217.37497	2.8
227.17998	5.5
237.16379	23.0
241.14325	3.3
255.17433	19.9
261.22067	3.6
273.18481	69.1
329.21072	10.6
335.22058	5.6
335.25821	91.7
347.18250	5.0
347.22165	59.9
589.42444	4.5
607.43536	90.5
625.44580	29.1
787.49615	3.9
789.02600	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	822.536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.8
57.07064	1.5
59.04991	1.1
59.61908	0.7
61.02921	1.5
65.03934	2.7
67.05508	58.4
68.63140	0.8
69.03437	8.2
69.07072	28.7
69.67944	3.4
71.04995	2.2
79.05496	40.4
81.03412	4.9
81.07060	49.0
83.05004	4.1
83.08624	9.8
85.02908	1.9
85.06541	2.0
91.05483	22.9
93.07050	42.0
95.04974	6.4
95.08612	31.4
97.02903	9.1
97.06530	3.7
97.10168	12.2
100.07604	2.8
103.05466	1.3
105.04507	1.4
105.07039	18.9
107.04959	6.3
107.08604	24.4
109.06500	2.4
109.10152	16.2
111.08078	1.8
115.05441	1.1
117.07028	8.7
118.18728	0.8
119.08589	14.7
119.86658	0.8
121.06542	2.2
121.10154	14.3
123.04351	0.8
123.08071	2.7
123.11700	3.8
125.09641	8.3
128.06224	1.1
129.06989	3.8
130.07742	1.3
131.08577	10.7
133.06476	2.3
133.10146	9.0
135.08046	3.5
135.11693	8.8
137.09636	1.2
137.13271	1.0
139.11165	1.1
143.08549	3.7
145.06409	1.5
145.10109	7.6
146.08154	4.6
147.08044	4.7
147.11703	5.4
149.09599	1.4
149.13275	5.3
151.11189	1.5
153.09134	1.5
157.10121	2.1
159.08003	1.1
159.11737	4.9
161.09596	1.9
161.13258	2.0
163.11142	2.2
163.14841	1.5
165.09097	1.5
169.10188	1.1
173.13297	2.9
175.11116	1.5
175.14836	1.5
177.12703	1.5
185.13271	1.2
187.14842	1.6
189.11201	3.1
189.12698	1.1
193.12172	0.9
199.11368	0.9
205.12236	2.0
211.13306	0.8
211.86292	0.8
223.13310	19.3
227.12807	2.4
243.21101	2.4
245.19006	1.2
249.14838	3.1
255.17329	1.5
261.22156	7.9
273.18460	11.6
291.19553	99.7
292.19858	1.5
309.20572	1.0
317.24725	2.2
335.25809	93.6
336.25955	1.4
347.22192	2.5
365.23224	54.6
505.35089	1.3
545.38318	4.1
607.43317	3.2
618.09900	0.9
625.44666	100.0
626.44617	2.9
643.45789	1.1
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
57.03423	8.0
57.07060	2.5
59.05005	5.6
61.02927	2.9
65.03942	5.7
67.05508	77.7
69.07066	26.5
69.23599	16.4
69.24007	3.2
71.04995	4.6
79.05495	60.3
81.03407	6.3
81.07059	76.1
83.04967	12.2
83.08614	6.4
85.02872	2.8
85.06541	4.1
88.02211	2.2
91.05487	64.8
93.07047	58.9
95.04967	13.9
95.08610	41.0
97.06537	7.2
99.04456	3.0
99.08108	4.3
102.46113	2.2
105.07035	49.5
107.04969	7.7
107.08601	49.3
109.06518	6.7
109.10159	52.7
111.08090	4.5
117.07050	11.1
119.08572	17.9
121.06520	5.3
121.10154	19.6
123.11681	11.2
127.07568	3.8
129.07022	5.0
131.08577	18.1
133.06493	4.7
133.10132	70.4
135.08017	6.8
135.11703	12.9
143.08618	6.1
145.10126	8.1
146.08171	3.3
147.08041	2.6
147.11703	8.0
149.09595	6.3
149.13290	5.5
151.11185	30.5
152.34238	2.4
157.10091	5.1
159.08141	3.4
159.11684	7.5
161.09598	9.2
161.13333	5.6
169.12265	6.4
171.11644	3.1
173.13312	3.3
175.11130	2.8
182.82356	2.5
185.13306	3.3
187.14841	2.9
215.12820	2.3
227.18025	2.6
243.20920	3.0
245.18889	4.6
253.14360	100.0
255.22968	2.6
259.20630	3.8
261.22171	9.9
263.20044	5.3
273.18527	22.8
291.19543	22.9
335.25806	63.2
347.22137	6.4
363.25571	3.3
365.23230	37.0
439.32260	2.5
513.35638	7.8
531.36871	18.5
544.82013	2.6
607.43353	5.6
625.34540	3.8
625.44666	66.9
734.13629	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	822.536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	11.5
57.07077	2.4
59.05001	1.6
65.03938	5.2
67.05505	94.9
69.03444	9.2
69.06721	2.2
69.07066	25.4
69.28606	3.0
69.29016	10.7
71.04982	5.6
73.02911	2.2
73.06581	1.7
78.56638	1.3
79.05493	64.4
81.03421	9.7
81.07057	91.9
81.28117	1.3
83.04983	15.0
83.08619	12.3
85.02915	2.4
85.06547	5.4
87.78931	1.3
89.27589	1.2
91.05479	74.3
93.07045	72.2
95.04974	11.6
95.08610	48.8
95.09238	1.9
97.02903	2.6
97.06541	5.7
97.10167	5.8
99.04424	1.6
103.05450	3.0
105.04549	3.2
105.07032	59.9
107.04947	9.3
107.07864	2.7
107.08599	53.6
109.06512	9.8
109.10155	54.5
111.08080	4.7
113.05996	3.0
115.05476	2.0
117.07014	13.5
119.04991	1.7
119.08582	29.5
121.06551	9.6
121.10146	23.6
123.08055	7.2
123.11716	9.4
125.09635	3.5
128.06224	2.4
129.06976	4.6
131.08578	24.3
133.06505	8.1
133.10135	70.5
135.08081	9.3
135.11700	14.0
137.09618	3.8
137.13300	1.8
139.07623	1.5
142.02916	1.7
142.07784	1.6
143.08562	5.6
145.06473	1.5
145.10117	13.7
146.08138	4.1
147.08072	4.9
147.11687	8.6
149.09604	11.2
149.13249	6.1
151.11188	31.0
156.61615	1.4
157.10164	7.3
159.08083	4.1
159.11710	8.1
161.09625	10.3
161.13226	7.6
163.11176	3.2
163.14832	1.8
165.09203	2.1
165.12779	1.5
167.10738	1.5
169.10211	2.8
169.12241	5.0
171.11702	5.4
173.13290	5.1
175.11179	5.8
175.14819	3.3
177.09024	3.1
177.12793	3.1
181.12303	1.3
185.13289	3.7
187.14754	2.0
189.12805	3.0
193.12086	1.7
197.11638	1.8
197.13290	1.6
199.11119	1.4
199.14917	1.7
201.16374	1.6
205.12068	1.5
213.12787	1.4
213.16351	1.8
215.12770	3.7
223.13351	3.1
243.21121	3.9
245.18987	6.6
251.12885	3.6
253.14352	83.5
255.17508	3.1
261.22183	10.3
263.20065	3.6
271.15466	3.8
273.18524	32.0
273.21536	1.8
275.19989	1.8
291.19522	36.0
309.20547	4.9
333.24222	1.5
335.25797	67.2
347.22171	12.2
363.21323	1.7
365.23236	62.9
366.23514	1.4
383.24466	1.8
400.52979	1.6
457.33167	1.6
494.02280	1.4
513.35834	8.5
529.34924	2.4
530.18066	1.4
531.36761	12.2
533.39661	2.3
607.43536	10.9
625.44641	100.0
626.44183	3.2
643.45709	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	21.0
59.04997	4.9
61.02933	4.1
62.71037	1.5
65.03951	5.6
67.05507	99.6
69.03429	11.0
69.06725	2.9
69.07073	42.2
70.41606	3.2
70.41985	5.4
71.01362	2.2
71.04978	10.7
73.02903	2.8
78.38432	1.7
79.05496	54.6
79.05965	2.7
81.03422	100.0
81.07059	66.9
83.04980	15.2
83.08624	34.0
85.02916	6.2
85.06522	5.1
87.04473	5.0
91.05485	59.2
93.06474	3.0
93.07048	52.2
93.07626	3.1
95.04976	40.5
95.08609	37.0
97.02905	8.0
97.06543	15.6
97.10176	17.0
99.08058	3.2
103.05455	2.6
105.04516	2.3
105.07033	41.7
107.04944	16.0
107.08588	26.4
109.02889	2.6
109.06522	10.0
109.10164	47.4
109.10915	2.6
111.04443	5.6
111.08105	9.3
113.06007	1.6
115.05459	4.1
117.07021	15.9
119.07799	2.7
119.08598	36.1
119.50999	1.8
121.06512	10.4
121.10141	20.0
123.04443	3.5
123.08064	7.3
123.11686	5.3
125.09631	12.2
126.55416	1.6
127.03967	2.2
128.06223	1.7
129.05518	2.7
129.07010	16.1
131.04884	2.7
131.08574	23.1
133.06500	6.0
133.10147	24.2
135.08049	6.4
135.11711	15.5
137.09627	12.0
142.07820	3.6
143.08594	6.0
144.32741	1.8
145.06438	4.0
145.10176	18.1
147.08046	6.9
147.11707	16.2
149.09653	22.4
149.13225	3.3
151.11211	3.1
155.08557	3.3
155.10638	3.7
157.06418	1.9
157.10127	16.3
159.11694	6.3
161.09624	4.5
161.13255	5.6
163.11186	14.0
165.09248	2.8
165.12778	3.6
169.10103	4.1
171.11642	3.9
173.09605	3.6
173.11729	14.7
173.13185	3.2
175.11197	13.6
177.12679	2.2
179.14308	2.2
181.10115	2.2
181.12227	4.0
183.11696	2.3
189.11234	2.8
189.47592	1.6
193.12257	38.6
197.13243	3.0
199.11421	1.9
199.13280	2.9
201.12685	2.7
205.12277	1.9
207.13747	1.8
209.11696	4.0
211.13286	5.3
223.13345	4.1
223.37413	1.6
224.89299	2.0
225.12857	2.2
225.14859	5.2
227.12747	12.6
229.14365	51.7
229.57202	1.7
243.15923	4.2
249.14900	5.1
253.14249	3.2
255.15936	4.8
257.19110	3.1
259.15457	2.7
267.15921	93.4
269.17471	4.8
273.14752	2.0
273.18604	4.6
275.20108	18.1
283.15512	3.4
285.16907	3.2
291.16666	2.7
291.19574	11.0
291.22644	1.7
300.14792	2.5
329.21082	4.1
337.21652	1.8
347.22369	2.3
349.23828	19.9
355.22485	2.7
365.23352	4.8
403.24789	2.2
409.26212	2.0
421.25854	40.7
423.27402	2.7
429.26147	3.1
435.27338	6.1
436.17905	1.7
437.25055	2.3
445.29480	3.2
447.27460	29.5
449.30115	2.3
461.29007	4.1
467.29721	1.8
489.28519	2.3
534.30286	1.8
541.35248	40.2
557.34503	4.2
559.36401	13.3
604.11414	1.9
625.35535	2.9
673.82068	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	822.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	0.9
59.04998	1.2
67.05511	2.7
69.03078	0.9
69.03432	13.6
69.07072	2.3
71.54621	0.6
77.03925	0.8
79.05482	1.4
81.03412	0.6
81.07066	1.8
83.04984	6.9
83.08613	1.1
85.02898	1.1
85.06544	2.0
86.21510	0.5
91.05485	8.2
93.07048	41.8
95.04979	4.4
95.08613	3.1
97.02917	0.6
97.06515	2.5
98.97565	0.8
103.05458	1.1
105.04527	1.1
105.07043	2.4
107.08605	2.7
109.06530	2.2
109.10149	3.4
111.08093	2.0
113.06026	1.4
117.07010	1.4
119.04969	0.5
119.08595	2.0
121.06508	100.0
121.10120	2.7
122.06853	1.0
127.07569	7.1
131.08582	1.7
133.10136	1.5
135.08083	2.0
135.11688	2.2
137.09608	2.6
139.07515	3.6
144.09383	1.2
145.06560	0.7
145.10147	1.5
147.08081	1.2
148.79611	0.5
149.06004	0.7
149.09633	3.6
149.13278	1.0
153.09148	1.6
155.10669	11.1
158.14552	0.5
159.11703	8.9
161.09665	0.9
163.02669	0.5
163.11182	1.9
165.09131	0.5
175.11218	1.9
177.12715	4.4
179.10699	2.0
187.11192	3.8
193.12306	1.0
205.12245	52.0
206.12595	1.5
223.13297	62.2
224.13687	1.1
241.14354	45.9
257.13953	0.6
263.08905	0.5
304.49960	0.5
328.08829	0.5
403.19580	2.4
422.17014	1.8
422.67029	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97462	0.3
66.14304	0.3
67.05499	0.7
69.03438	0.8
69.07076	1.2
70.06599	0.4
71.20134	0.5
78.91660	0.4
79.05495	1.1
81.03439	0.6
81.07062	0.9
83.04986	1.5
86.06087	0.3
91.05487	1.4
93.07048	1.1
95.05000	0.7
97.06478	0.4
98.06081	0.9
105.03385	0.7
105.07033	1.4
107.04987	0.5
107.08582	0.7
109.10157	0.4
117.07032	0.8
119.08573	2.6
121.06542	0.6
121.10147	0.5
124.07642	0.4
125.06002	0.4
128.06204	0.4
129.07011	0.8
131.04968	0.5
131.08598	0.9
133.10204	0.5
135.11707	0.5
136.60669	0.3
141.07039	0.3
143.08553	1.8
145.06511	1.4
145.10144	0.8
146.08160	0.5
147.08139	0.3
155.08511	0.7
156.09370	1.4
157.10136	2.7
159.08125	1.2
159.11728	0.4
161.09581	0.4
166.86742	0.3
167.08641	0.4
169.10129	0.7
170.10909	2.3
171.08049	4.6
171.11713	3.7
173.09724	1.3
180.09363	0.6
181.10204	0.4
183.08110	0.7
183.11668	1.8
184.08887	0.7
185.09624	1.9
185.13248	3.7
189.93167	0.3
191.05540	1.9
195.11719	1.1
197.09668	0.4
198.10385	1.9
199.07843	0.3
199.11182	2.8
200.12030	0.8
201.12743	0.9
213.12750	19.5
214.13022	0.4
217.08784	0.5
223.11198	0.5
230.11775	0.4
231.10144	2.2
231.13885	0.7
238.63831	0.3
241.12357	0.8
258.13858	0.3
268.09521	0.9
269.10242	9.7
269.13043	0.6
270.11011	8.4
273.14795	3.9
322.14206	0.4
333.17120	0.6
357.16876	0.9
368.14783	0.5
377.15616	0.4
381.16742	1.1
382.16080	0.5
415.17435	0.6
417.18793	3.1
435.22034	0.6
457.21872	1.6
463.31186	0.4
512.24030	0.7
515.22742	0.5
524.24176	1.0
542.25189	2.3
560.25391	0.4
602.27118	0.8
624.29895	0.6
642.30713	0.8
662.29254	0.8
680.55890	0.4
684.31757	0.9
702.32361	3.4
744.34155	0.8
762.34576	100.0
763.34882	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	820.5938
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	28.6
70.93303	23.2
75.04150	11.6
79.05500	24.0
81.07065	29.2
83.75354	13.3
95.08612	24.7
105.06998	14.8
109.10197	11.5
135.11732	16.9
201.40549	11.6
261.22211	13.8
304.57553	12.0
335.25806	100.0
337.19077	13.6
414.02258	14.3
482.96448	14.3
631.31653	13.1
737.21356	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	820.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	11.0
57.07061	2.6
58.03984	1.5
65.03931	3.8
67.05508	64.5
69.03417	7.4
69.07071	17.1
71.04976	2.4
71.55153	2.3
79.05495	56.8
81.03349	2.1
81.07062	57.1
83.04969	5.2
83.08153	2.1
83.08625	32.6
84.02501	1.5
91.05485	51.8
93.07050	49.7
95.04964	4.1
95.08613	36.4
97.06559	2.0
97.10175	59.4
99.08054	2.3
100.38860	1.7
103.05459	3.3
105.07026	19.7
107.04982	2.7
107.08598	44.3
109.06509	2.8
109.10148	16.5
115.05434	6.4
117.07027	33.3
119.08585	67.0
119.83742	2.0
121.06459	3.1
121.10152	17.4
123.08022	1.8
123.11685	3.3
124.49650	1.7
125.09634	59.0
125.43205	1.8
127.03835	2.0
128.06236	3.1
129.06976	5.2
131.08569	16.9
133.06487	2.0
133.10170	8.5
135.08080	11.4
135.11690	11.5
137.09686	1.7
141.06966	1.9
142.07759	2.2
143.08568	7.2
143.10681	1.9
145.06509	28.0
145.10170	11.7
146.08080	2.1
147.08022	4.6
147.11693	4.1
149.09576	1.9
149.13324	3.5
153.09082	5.3
155.08540	4.0
157.10109	6.7
159.05919	1.7
159.08070	11.3
159.11684	7.2
161.09608	5.4
161.13268	3.4
169.10059	3.4
171.10144	4.5
171.11581	2.7
173.09709	3.6
173.13237	4.8
175.14806	2.6
184.07181	1.7
185.09567	2.4
187.14853	2.7
189.11227	33.8
215.14313	6.1
225.16251	2.0
227.12790	84.1
243.17337	4.2
243.21150	4.0
245.13953	2.1
253.15900	3.0
261.22147	22.9
271.16965	54.2
289.18008	16.6
295.58630	1.6
317.24805	3.9
327.19431	2.8
335.25793	68.5
345.20569	14.8
363.21698	23.1
487.34409	9.3
505.35263	49.4
510.24918	1.8
605.33032	3.0
605.42041	44.5
623.43085	100.0
624.43097	4.0
746.39709	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.9
57.07070	2.4
67.05510	45.8
69.03442	8.0
69.07077	11.7
71.56404	2.1
77.07878	1.3
79.05502	43.4
81.03432	2.3
81.07063	40.1
82.97520	1.4
83.05000	4.4
83.08621	27.6
85.06560	1.4
90.72340	1.2
91.05488	38.9
93.07050	31.9
95.04967	3.9
95.08052	2.0
95.08614	21.6
97.10178	59.8
98.10465	1.2
105.07034	11.0
107.00481	1.3
107.04962	2.9
107.08602	29.6
107.09296	2.6
109.06490	2.8
109.10165	13.5
111.08110	3.3
114.15983	1.4
115.05455	3.8
117.07027	25.5
119.08589	68.8
120.31699	1.5
121.06473	3.2
121.10165	8.8
121.28723	1.4
123.08010	1.7
123.11726	3.6
125.09640	50.5
127.88386	1.4
128.06218	1.3
129.07048	2.8
131.08604	11.5
133.10126	6.5
135.08020	12.5
135.11728	4.9
137.09669	2.0
143.08569	7.8
143.10686	2.5
145.06499	22.0
145.10197	6.8
147.08078	3.3
147.11655	3.5
149.13246	4.5
153.09117	5.9
155.08620	2.0
157.10130	3.8
159.08069	12.7
159.11723	4.9
161.09731	2.1
161.13272	2.7
163.07588	2.8
163.14862	2.1
169.10106	3.1
171.10155	4.3
173.09644	3.2
173.11850	1.6
173.13293	3.2
183.11737	2.4
187.14856	1.8
189.11227	36.1
215.14293	1.5
225.16389	1.8
227.12788	100.0
243.17488	3.8
243.21104	3.2
245.13849	2.6
253.15944	3.2
261.22171	14.4
271.16934	58.8
273.18631	1.7
289.18021	16.3
302.71902	1.4
335.25827	36.5
345.20670	14.7
351.49191	1.4
363.21683	21.7
389.18152	1.6
431.31570	1.8
487.34372	5.2
505.35297	13.0
605.42053	27.6
606.42242	2.1
623.43127	65.5
624.43475	3.6
647.81641	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
63.81495	2.8
67.05492	9.0
69.03419	13.0
69.07054	3.3
70.06593	24.6
79.05500	15.3
81.03410	8.2
81.07063	19.7
82.02959	13.9
82.08787	2.4
83.04984	59.1
83.08582	3.2
86.05674	2.3
86.06083	23.7
87.04459	12.1
91.05492	16.4
93.07039	9.6
95.04960	10.4
95.08571	5.6
96.08142	3.1
97.06547	3.5
97.45021	2.9
98.06061	100.0
98.21543	5.0
103.05463	5.2
105.03352	3.8
105.07063	15.7
107.08587	7.5
115.05456	10.5
117.07016	56.2
119.08588	22.3
121.10165	3.2
122.06046	16.2
124.07578	13.3
128.06244	4.5
129.07001	13.5
131.04915	9.8
131.08562	20.4
133.06490	3.6
133.10167	21.6
141.06995	5.6
142.07761	7.6
143.04936	5.0
143.08559	21.4
145.06519	24.0
145.10152	14.5
147.08003	8.6
147.11684	4.2
149.09624	4.8
150.05513	21.7
150.09061	3.2
152.07057	4.0
154.07858	2.6
155.08476	7.8
156.09335	14.3
157.06465	7.0
157.10153	35.9
159.08083	11.6
159.11700	7.8
161.09599	11.6
161.13206	3.4
162.09189	3.4
163.11205	3.5
164.07034	4.5
165.07016	4.8
167.08563	10.5
168.06586	19.3
169.10132	14.9
170.10886	11.5
171.08060	12.1
171.11693	68.5
172.07532	4.5
172.08887	3.7
173.09628	11.8
175.07498	2.5
175.11127	3.4
180.09273	3.6
181.10114	9.9
183.08116	9.4
183.11688	36.9
184.08830	6.0
185.09665	13.2
185.13261	57.9
187.10983	5.6
187.14819	4.1
193.10092	5.7
195.08131	3.7
195.11681	12.3
197.09633	12.8
197.13228	9.2
198.10425	8.5
199.11154	29.7
200.10713	10.1
201.12671	6.8
202.12289	26.6
207.11699	4.6
209.09520	6.1
209.13332	3.9
211.11220	19.6
213.12752	80.4
214.12337	5.8
215.14270	2.9
217.10266	4.0
217.12190	3.9
219.11775	5.8
221.13126	5.3
223.11176	11.8
225.09183	3.4
228.10213	10.7
229.12198	3.7
230.11818	34.2
231.11697	7.9
231.13824	6.0
232.12613	3.4
233.13342	8.3
234.13956	3.0
235.11168	4.7
237.09027	6.0
237.12756	4.0
241.12224	9.5
242.11517	3.7
243.11691	4.9
243.13881	5.3
244.12674	10.6
245.13173	8.5
245.15288	15.7
246.11182	6.0
246.13875	3.4
247.11212	7.3
247.14854	7.2
248.12891	24.3
249.16420	4.0
251.14008	2.9
255.13811	6.9
256.09637	8.5
257.13263	8.0
258.11172	10.7
258.14114	8.0
259.15057	16.7
260.12598	4.7
260.15570	6.7
261.12671	7.5
261.16415	6.2
262.14194	3.9
263.13901	3.2
265.12216	3.5
267.11636	6.5
268.12891	3.2
269.13220	6.5
270.13971	5.5
271.14807	5.3
273.14560	27.5
274.10904	13.0
274.13525	3.7
275.14243	5.4
276.12341	4.6
280.13196	3.3
281.13208	3.7
282.14273	5.3
283.14844	3.4
284.15567	4.4
285.12723	5.0
285.16345	3.9
286.13666	4.4
287.14359	4.3
287.17825	4.4
289.16003	5.1
291.17328	3.3
296.15726	6.4
297.16296	9.1
299.14203	7.8
299.17810	5.4
301.16080	13.0
301.19354	2.8
302.16684	7.4
309.12717	3.3
311.17862	6.9
313.19427	3.3
315.17245	6.1
319.16718	5.7
324.15033	5.0
325.15689	4.7
327.13770	3.2
327.17432	5.8
329.19034	8.3
333.17328	4.3
339.17349	11.8
341.19116	5.0
357.18430	10.6
359.19821	6.0
367.16809	5.9
375.19467	4.6
384.85843	3.1
385.17734	7.3
389.21075	3.5
393.19141	4.1
410.20996	3.3
412.18893	3.5
424.22617	8.1
428.22079	12.5
430.19763	3.7
442.23761	9.6
452.22110	6.8
459.26956	3.4
460.24869	10.3
461.28979	4.9
470.23413	26.9
484.24588	4.2
488.24420	26.9
490.25864	6.3
502.26010	36.1
520.27026	75.8
530.25104	5.3
538.27789	8.3
548.26434	22.8
562.27881	10.5
566.27429	8.1
570.27759	3.3
580.29114	60.3
581.28900	3.7
590.27820	4.7
595.27570	4.0
598.30151	85.9
599.30487	3.8
608.28583	56.0
622.29333	3.5
640.31299	41.9
690.32507	12.4
698.33521	4.5
708.33746	32.4
722.35364	26.3
740.36554	55.1
741.36945	3.9
757.32410	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	817.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	0.8
69.07092	0.5
71.55127	0.4
74.09702	0.4
79.05505	1.0
81.07063	1.6
83.04986	4.9
85.08511	0.3
85.96173	0.4
91.05488	1.3
93.07056	1.2
95.04971	0.6
95.08614	1.5
103.05482	0.6
105.07028	1.3
107.05010	0.4
107.08610	1.8
109.06516	0.6
117.06999	0.8
118.03698	0.4
119.08591	2.4
121.06503	0.4
121.10144	0.6
122.10658	0.4
129.07018	0.5
131.04903	0.5
131.08569	1.3
133.06512	0.6
133.10156	1.2
142.07800	0.7
143.08578	1.2
145.02831	0.7
145.06509	0.8
145.10149	1.5
147.08067	0.8
149.09610	0.9
155.08614	0.5
156.09346	0.9
157.10152	2.8
159.08095	0.9
159.11700	0.5
161.09595	0.9
169.10204	1.0
170.10878	0.8
171.08110	1.6
171.11737	2.8
173.09634	0.9
175.29317	0.4
177.05496	2.0
178.05835	0.7
181.10178	0.5
183.11714	2.6
184.08745	0.4
185.09592	0.9
185.13290	2.5
187.11128	0.4
195.11728	0.9
198.10509	0.5
199.11340	2.2
201.09100	0.4
211.11179	0.8
213.12761	8.3
221.13271	1.0
231.10262	0.9
231.13870	0.6
241.12288	0.8
243.13916	0.5
247.15039	0.5
249.16461	0.6
251.10341	0.5
264.50616	0.5
273.14874	3.1
297.14706	0.5
302.17191	0.4
311.49664	0.4
357.16623	1.0
368.24521	0.4
404.33731	0.4
417.18936	2.7
421.19186	0.4
457.22449	0.6
475.24707	1.6
495.23792	1.1
515.22565	0.6
535.26611	3.2
591.25836	0.7
595.28827	100.0
596.28802	3.0
651.27759	3.5
707.30878	0.5
757.34052	30.0
758.34784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92423	0.4
65.84533	0.3
67.05506	1.0
69.03426	0.6
71.55585	0.4
75.02932	0.3
77.03933	0.8
79.05511	1.8
81.03422	1.0
81.07074	0.8
83.01356	0.6
83.04990	0.7
91.05489	3.4
93.07075	1.8
95.04983	4.7
95.08629	1.2
97.02887	0.3
97.06534	0.7
102.04702	0.7
103.05479	45.4
104.05824	1.6
105.04530	1.1
105.07039	3.4
107.04957	1.1
107.08620	1.2
107.98749	0.4
109.06515	1.4
109.10162	0.4
111.04465	1.1
115.05470	0.8
117.07031	1.8
119.04957	0.7
119.08588	1.6
121.02911	0.6
121.06509	1.4
123.04439	0.6
123.08089	1.2
125.06014	1.0
128.06253	0.8
129.07018	1.9
131.04941	100.0
131.08589	2.4
132.05272	3.3
133.06508	2.2
135.04430	0.9
135.08006	1.5
137.05984	0.7
139.03932	0.7
141.07042	1.8
142.07770	1.0
143.08618	2.6
145.06496	1.6
145.10144	0.9
147.08063	1.9
149.05986	1.1
151.07521	0.4
153.05493	1.1
153.06981	1.0
154.07796	0.5
155.08563	1.8
156.09369	1.3
157.06592	0.9
157.10127	1.2
159.08090	2.6
159.11772	0.5
161.06010	2.4
161.09645	0.6
163.07570	1.0
165.05594	0.6
165.07024	1.1
166.07814	0.9
167.08575	0.7
168.09387	0.6
169.06505	1.1
169.10110	2.3
170.10934	0.3
171.08025	1.7
171.11717	1.0
173.06020	0.6
173.09685	0.6
175.07558	0.8
177.05478	0.4
177.09128	0.5
178.07796	0.7
179.07082	0.7
179.08554	0.7
180.09277	0.6
181.06578	0.5
181.10132	1.4
182.10828	0.4
183.08015	1.9
183.11710	1.2
184.08844	0.7
185.06006	0.5
185.09662	1.0
187.07587	1.8
187.11192	0.6
189.05583	0.4
189.09160	0.7
192.09334	0.7
193.10129	1.1
194.10890	0.4
195.06502	0.6
195.08101	0.9
195.11736	0.8
197.09657	2.7
199.07613	1.3
199.11211	3.8
201.09151	1.1
203.06998	0.6
205.08498	0.8
205.10245	0.6
207.08084	0.8
207.11679	0.9
208.08847	0.3
209.09677	1.9
209.13074	0.4
210.10344	0.6
211.07611	0.7
211.11171	0.9
213.09201	1.0
215.10513	0.6
216.09367	0.5
217.08647	1.3
218.10986	0.5
219.10069	0.8
219.11929	0.5
221.09607	0.9
221.13301	0.5
223.07661	0.6
223.11124	0.5
225.05688	0.4
225.09142	2.6
225.12665	0.5
226.09712	0.6
227.07028	0.4
227.10640	1.9
229.08495	0.6
229.12242	0.5
230.10977	0.5
231.11876	0.6
233.07935	0.6
233.13351	0.5
235.07645	0.5
235.11346	0.8
236.11916	0.5
237.09209	0.8
237.12720	0.6
239.10670	1.3
241.08624	0.7
243.10065	0.8
244.12625	0.4
245.13365	0.4
246.10591	0.4
247.09500	2.6
247.14778	0.4
249.08899	0.4
249.13065	0.4
249.16547	0.4
251.10713	0.6
251.14264	0.4
255.10199	1.3
257.07956	0.6
257.11749	1.0
259.09555	0.6
262.13431	0.5
263.10675	0.8
263.14139	0.4
267.10315	0.8
269.11752	0.5
269.81448	0.4
271.10632	0.3
275.14374	0.7
277.12100	0.4
277.15982	0.6
279.10162	0.4
285.11322	1.2
287.13123	0.5
291.13730	0.7
293.12057	0.4
293.15558	0.8
295.13525	0.4
301.12173	0.4
303.13297	0.6
304.59094	0.3
306.57889	0.4
309.11075	0.5
315.13788	0.5
319.13348	0.7
321.14838	0.6
333.14798	0.5
341.13800	0.7
345.14380	0.4
349.14301	0.6
351.16071	0.5
359.15091	0.8
363.15753	0.7
379.15381	0.5
381.16797	1.1
391.15298	0.6
399.18164	0.4
403.15466	1.0
419.15222	0.5
421.16492	0.6
431.15115	0.7
433.16376	1.1
435.17969	0.5
445.16107	0.6
449.16199	1.0
451.17627	1.3
463.17380	1.4
464.17752	0.5
467.16895	0.4
475.17444	1.5
481.18527	2.2
499.19577	1.4
529.21814	0.4
611.22626	0.8
612.23187	0.7
629.24048	1.5
630.23676	0.7
778.28918	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.7
63.88915	2.6
69.03454	3.7
69.07076	2.8
71.55231	4.7
73.36734	3.1
79.05501	7.1
81.07040	8.0
83.04990	100.0
85.02920	4.3
91.05477	11.1
93.07028	9.2
95.04983	4.6
95.08633	14.1
103.05482	22.3
105.07045	18.1
107.04969	5.6
107.08573	7.4
109.06536	7.0
115.05462	3.9
117.07016	9.1
119.04932	5.8
119.08586	17.3
121.06474	4.2
121.10113	5.4
128.06256	6.0
129.07016	7.3
131.04944	48.3
131.08537	12.0
133.06503	14.1
133.10127	13.3
135.08025	4.2
141.06969	3.8
142.07796	5.2
143.08560	13.0
145.02927	3.3
145.06476	10.2
145.10097	11.6
146.08124	4.3
147.08073	9.4
149.05960	8.7
149.09608	5.9
153.06947	2.6
155.08577	8.4
156.09308	8.2
157.06442	4.5
157.10155	21.1
159.08081	7.9
159.11693	8.7
161.05998	15.1
161.09659	5.4
163.07614	4.3
163.11292	4.3
165.09122	3.6
169.10158	20.3
170.10918	6.0
171.08061	9.4
171.11702	44.4
173.05983	3.7
173.09624	10.7
175.07585	3.3
175.11192	4.2
177.05495	8.7
177.09088	3.0
181.06596	2.8
181.10031	5.6
183.08078	5.9
183.11742	26.6
184.08870	4.7
185.09673	7.7
185.13284	40.1
187.07547	3.3
187.11284	3.6
189.05452	4.1
189.09077	3.6
195.07878	4.2
195.11749	9.7
197.09627	10.7
197.13153	6.4
199.11212	14.1
201.09099	5.2
203.06969	3.6
207.11717	5.9
209.13191	4.4
210.10353	3.0
211.11238	9.5
213.12750	27.5
215.10645	3.1
216.09465	3.0
217.12276	5.0
219.11789	3.5
220.12314	3.0
221.13373	7.5
223.11188	3.9
225.12862	5.2
229.12259	5.5
231.11888	5.2
231.13861	6.2
232.12538	5.5
233.13409	3.6
234.10571	3.2
235.11127	3.3
235.14778	3.5
237.12669	4.1
241.12190	4.0
243.11758	4.6
243.13876	10.3
244.12360	5.1
245.13223	9.2
245.15408	27.2
246.14099	6.5
247.14879	7.7
249.12686	3.2
251.17889	4.7
255.13815	4.5
257.11563	4.1
258.14224	4.0
259.10834	3.8
259.14838	8.4
260.12048	2.7
261.12830	3.8
261.16373	13.6
263.18008	5.1
268.12698	4.1
273.14948	12.5
275.17944	11.0
285.16412	6.5
287.14267	4.9
289.15933	3.6
291.17444	6.3
293.19028	7.6
297.12701	5.2
301.15628	4.9
303.17422	6.0
313.15924	6.1
321.18213	7.5
325.21600	8.0
327.17361	6.1
331.16919	10.2
335.20020	12.6
345.18494	8.1
353.21130	22.4
359.20291	3.8
363.19604	3.5
373.18149	6.0
375.19867	4.4
377.21338	4.5
387.19547	10.8
391.19016	6.4
401.17355	5.9
405.20627	7.5
405.75266	2.9
413.23041	6.1
415.18909	4.3
419.18341	5.9
433.19849	10.0
438.91864	3.6
451.21408	13.0
465.22736	15.2
483.23419	11.5
511.23059	8.8
525.24744	9.2
529.24194	12.7
543.25763	4.4
553.23999	4.6
565.27686	4.1
585.26587	5.9
589.66956	3.7
593.27698	4.0
611.28394	10.8
625.30145	17.9
641.10327	3.4
646.36359	3.2
653.28882	6.6
671.30438	4.4
685.31537	8.2
758.00391	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	812.406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45912	3.9
61.53495	3.8
67.05516	4.0
69.07088	4.9
69.69550	24.0
79.05507	9.6
81.07077	6.9
83.04987	100.0
91.05491	19.9
91.85137	4.4
93.07027	7.6
93.25219	4.3
95.04955	5.0
95.08608	7.6
100.07639	4.6
103.05476	23.8
105.07041	25.2
107.04945	5.9
107.08597	6.0
109.06525	5.7
117.07011	9.8
119.08591	19.5
121.06530	8.1
121.26382	4.0
124.30046	4.0
128.06206	5.4
129.07004	7.9
131.04938	43.8
131.08571	15.0
133.06485	26.4
133.10162	14.1
142.07782	5.5
143.08592	16.2
145.06470	16.9
147.08029	21.9
149.09625	10.3
155.08533	11.9
156.09290	5.1
157.10124	23.0
159.08080	12.3
159.11728	7.9
161.06046	20.0
161.09648	10.8
163.07593	4.5
163.11244	5.9
167.08644	4.7
169.10149	16.2
170.10931	11.7
171.08054	7.1
171.11742	34.8
173.09668	14.2
175.07556	6.1
177.05533	9.5
179.08578	4.8
181.10077	5.6
183.08040	5.5
183.11664	27.2
185.09546	11.3
185.13297	32.2
187.11198	6.8
195.11688	8.5
197.09624	12.0
197.13280	11.4
199.11160	20.7
203.10681	4.8
205.10149	4.5
207.11731	9.5
211.11118	10.4
213.09238	5.9
213.12737	33.0
219.11702	7.3
221.13281	6.1
225.09210	9.9
227.10733	5.5
229.12402	7.8
231.11765	6.7
231.13812	7.3
232.12492	5.5
233.13338	5.8
243.13832	14.2
245.13249	9.5
245.15440	25.6
247.11006	4.8
247.14882	8.2
256.12305	7.2
256.40280	5.1
258.13959	5.6
261.12891	4.4
261.16309	5.1
261.86145	4.6
263.14429	5.8
269.13025	5.4
273.14960	11.7
275.17822	9.1
285.16101	5.5
288.15247	4.8
289.15820	4.6
299.14374	5.0
299.17554	5.0
301.15714	6.7
302.16525	4.4
303.17459	13.0
313.15848	9.4
319.16766	4.5
327.17401	8.0
329.14706	6.2
331.16882	6.2
345.18616	5.9
349.17896	5.4
359.16263	8.8
373.18048	11.8
387.19742	9.2
391.19089	9.0
405.20712	24.5
415.19296	5.7
423.21692	8.6
433.20129	11.7
440.92432	4.3
451.21082	15.2
465.22702	15.8
483.23907	11.1
493.21854	9.0
511.22989	7.7
525.24841	11.9
529.24207	10.4
543.25360	8.5
553.23584	4.8
625.30243	37.3
685.32074	5.9
713.61609	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	811.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.0
59.05006	0.9
61.02928	4.0
61.45387	0.3
65.03979	0.4
66.84329	0.3
67.05506	3.1
69.03436	2.8
69.07076	2.8
69.27837	1.5
69.28272	1.4
70.06602	0.4
71.01362	0.4
71.04996	1.1
73.02913	2.8
73.18724	0.3
79.05499	4.0
81.03424	3.7
81.07051	3.4
83.04981	1.3
83.08635	1.3
85.02916	4.1
85.06548	0.6
87.04464	0.8
90.11652	0.4
91.03957	2.2
91.05479	3.5
91.82654	0.3
93.07030	2.8
95.04982	1.4
95.08604	2.2
97.02902	4.2
97.06551	0.7
98.21463	0.6
99.04452	1.1
101.02390	1.8
103.03973	0.5
103.05492	0.7
105.07033	3.0
107.04963	0.4
107.08594	2.1
109.02900	0.8
109.06538	0.4
109.10192	0.8
117.07047	0.7
119.08614	2.3
121.06504	0.4
121.10155	1.8
123.11739	0.4
123.41132	0.3
127.03920	1.5
129.07013	0.6
131.04933	0.9
131.08568	1.6
133.10165	1.5
135.11676	0.6
145.10165	1.0
147.11655	1.6
149.09654	1.3
157.10167	1.0
169.65504	0.4
175.11258	0.7
181.12354	0.4
184.07278	0.6
185.04256	0.7
193.12286	1.0
193.19823	0.3
194.27945	0.4
197.15552	0.5
203.05296	0.5
225.14926	0.8
243.08429	3.8
267.15918	1.0
283.15216	3.8
333.20389	2.1
339.17999	1.1
439.19476	1.0
453.21048	0.7
469.20886	0.7
501.23068	14.2
502.23227	0.6
551.28357	6.8
552.29138	0.4
573.25330	0.8
611.45813	0.4
713.36792	0.6
721.37390	1.8
811.44495	100.0
812.44873	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	810.448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	7.6
57.07081	0.9
58.06628	0.8
58.82995	1.0
59.04996	1.6
61.02929	8.6
65.03929	1.2
67.05173	1.1
67.05508	16.2
68.05025	2.2
69.03439	13.3
69.07076	6.2
70.06596	7.0
71.01355	0.8
71.05005	5.4
71.55217	1.2
72.04514	1.0
73.02924	5.2
74.89741	0.7
79.05495	18.7
80.05031	2.5
81.03423	61.1
81.07063	20.5
82.06577	2.4
83.04987	8.0
83.08624	15.2
84.04513	7.7
84.08141	3.6
85.02912	10.0
85.06548	1.4
86.06072	46.7
87.04474	25.8
87.35845	0.8
91.03997	4.2
91.05482	19.4
93.06473	1.4
93.07052	19.5
94.06563	2.4
95.04370	1.3
95.04976	21.0
95.08617	13.7
96.08128	2.6
96.81360	0.7
97.02902	8.7
97.06543	7.2
97.10175	3.0
98.05417	1.9
98.06060	37.0
99.04457	1.9
99.06326	0.8
100.07614	2.5
100.59282	0.7
101.02390	1.4
102.05549	1.5
103.03973	0.8
103.05437	1.2
104.07111	22.4
104.10727	1.7
105.07032	14.4
107.04955	5.4
107.08600	7.7
109.02869	1.2
109.06519	4.8
109.10165	2.9
110.09662	1.4
111.04451	1.6
111.08080	5.9
112.07616	16.4
114.05517	1.2
115.05457	1.3
117.07020	2.0
119.03526	1.2
119.08589	12.6
120.08072	0.9
121.06555	4.7
121.10147	13.2
122.06049	1.4
123.04394	1.0
123.08060	3.1
123.11742	0.9
124.07623	4.2
125.05978	1.5
125.09679	1.0
126.05529	8.5
126.09161	2.0
127.03916	2.8
128.06201	0.8
128.07050	0.9
129.07002	8.3
130.08650	1.0
131.04924	1.8
131.08580	12.7
133.06491	2.6
133.10129	6.1
135.08064	1.6
135.11708	1.4
136.06195	100.0
137.09613	1.3
138.09149	1.5
138.12787	1.9
139.11197	1.9
140.07065	4.1
142.07756	1.8
142.08670	3.7
145.04938	1.0
147.08060	3.4
147.11665	10.2
148.07564	3.3
149.09627	32.2
149.13263	1.6
150.09125	0.9
151.11186	1.7
154.08629	2.7
157.10129	9.6
158.08138	7.4
159.11613	1.1
163.11176	1.5
165.12782	4.5
166.12276	3.3
167.07030	2.6
167.10722	1.2
173.13252	1.4
175.11174	10.3
177.12781	2.7
182.15414	1.3
184.13318	2.5
187.11250	1.4
192.13812	1.2
193.12247	24.7
195.13847	1.5
205.12239	1.9
206.15437	2.3
210.14937	9.4
211.13289	4.6
219.13899	1.1
224.16493	5.2
232.17114	1.0
234.14879	3.2
240.15817	1.3
249.14775	1.2
250.14445	0.8
250.18048	3.1
252.15962	20.1
260.16489	5.2
267.15924	57.9
268.16489	1.3
268.19012	4.1
270.16943	2.0
276.10968	0.8
278.17572	12.2
296.18573	6.6
302.19534	1.1
302.60904	0.9
303.05011	1.3
314.19559	3.3
326.19595	2.5
344.20706	5.3
346.18765	1.0
362.21698	4.0
363.21985	0.9
370.22324	4.8
375.77893	0.9
377.91959	0.9
385.23834	2.0
388.23267	5.7
420.22522	1.3
459.27451	21.2
477.28424	9.3
491.30219	0.9
536.31970	4.0
542.58325	0.8
554.33252	14.9
562.33722	2.7
580.34821	70.8
581.34717	2.6
598.35034	1.4
612.34283	4.2
630.35236	3.1
648.35626	1.3
716.38397	6.1
724.38922	1.0
742.40100	98.9
743.40619	4.0
760.41492	3.7
774.42407	15.0
792.43420	16.5
810.41510	5.7
813.51636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	18.2
59.04984	7.7
59.45342	5.4
65.03934	7.3
66.87754	5.3
67.05508	93.3
69.03429	8.8
69.07059	34.4
69.32515	4.8
71.04984	8.0
71.54861	6.8
76.24566	5.5
79.05499	98.6
81.07066	100.0
83.08620	12.3
85.06557	8.9
87.91814	5.0
89.06010	6.0
91.05485	86.2
93.07047	92.2
95.04970	12.8
95.08609	79.9
97.06499	8.6
99.08080	7.8
100.07642	14.5
105.04490	6.6
105.07045	92.8
107.08599	57.4
109.10162	31.3
109.98277	5.2
115.16837	5.8
117.07013	22.4
119.08575	61.5
121.10167	37.7
123.11707	10.5
129.07014	14.9
131.08597	46.8
133.10144	51.3
135.11687	39.6
143.08571	21.0
145.10133	43.7
146.08176	33.6
147.11719	41.6
149.13254	17.1
157.10095	13.3
159.11713	29.2
161.13278	25.7
163.11131	6.2
163.14818	5.8
169.64716	6.0
171.11694	18.8
173.13283	19.9
175.14890	8.1
185.13258	9.9
187.14871	6.4
199.14815	11.2
213.16327	6.3
227.20052	7.2
241.19588	20.3
243.21251	7.6
254.06273	6.1
257.19016	10.0
259.20566	65.0
261.22141	11.8
268.21994	5.9
333.24231	61.6
335.25873	82.0
389.30978	6.2
519.41443	13.2
593.45447	22.1
611.46667	82.6
711.00818	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	806.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.5
59.04997	5.1
66.35879	2.6
67.05500	17.0
69.07068	3.3
69.88740	14.0
72.08145	3.4
79.05497	10.4
79.15530	2.4
81.07053	21.7
91.05489	4.8
93.06020	2.3
93.07038	13.9
95.08585	14.1
105.07028	5.8
107.08570	5.2
109.10165	9.3
118.48463	2.6
119.08577	6.2
121.10120	7.5
123.11749	4.6
131.08554	3.8
133.10143	5.7
135.11743	5.8
145.10184	2.9
147.11682	3.3
149.13266	3.8
159.11650	4.3
161.13243	6.1
187.14769	3.3
218.99463	2.8
243.20906	3.1
261.22086	14.9
317.24719	2.9
325.96362	2.5
335.25824	100.0
336.69016	2.7
337.27402	4.3
354.22440	2.8
574.09290	3.1
595.47632	12.9
613.48279	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	806.541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	8.6
59.04998	3.3
67.05510	28.2
69.07076	11.2
71.55613	1.3
79.05495	25.5
81.03394	3.5
81.07057	33.8
83.04970	4.4
83.08608	5.5
85.06528	2.1
91.04967	2.1
91.05484	23.4
93.06472	2.0
93.07038	28.0
95.04966	4.1
95.08057	1.8
95.08614	23.1
97.06512	8.7
99.04457	1.7
105.07035	33.6
107.04942	5.0
107.08600	15.2
109.06521	3.0
109.10170	7.3
111.08071	1.7
117.07013	7.3
119.07806	2.1
119.08585	19.9
121.06487	1.8
121.10157	10.9
123.08055	2.2
123.11716	2.5
129.07028	2.1
131.08588	11.7
133.10133	17.2
135.08086	1.8
135.11700	6.6
145.10138	6.2
146.08144	2.3
147.11690	6.7
149.09630	2.5
149.13257	1.6
149.97990	1.2
153.12782	1.6
159.11670	5.6
161.13326	1.9
173.13239	3.5
179.14281	2.5
219.17444	42.0
242.16406	1.5
257.18866	2.0
275.20096	20.5
335.25797	45.4
349.23734	18.9
367.31631	1.3
506.04199	1.5
609.45148	100.0
610.44989	4.6
676.12427	1.3
679.43945	1.7
734.42749	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	19.3
59.04994	1.9
61.02917	3.3
65.03944	4.6
67.05504	63.4
69.03430	7.3
69.07067	34.9
71.01336	2.1
71.04987	7.5
71.55527	2.1
73.02908	1.7
79.05494	60.8
79.22675	1.6
81.03423	100.0
81.07059	70.4
83.04977	12.7
83.08626	37.3
85.02919	5.9
85.06551	4.1
91.05487	57.5
93.06465	3.8
93.07046	56.5
95.04967	45.4
95.08606	35.5
97.02898	4.3
97.06535	14.4
97.10176	25.0
99.08104	3.6
103.05457	1.7
105.07030	46.8
107.04964	16.0
107.08596	45.2
109.02896	2.7
109.06521	8.3
109.10159	18.4
111.04449	3.0
111.08088	11.8
115.05468	3.9
117.07024	17.1
117.46178	1.7
119.04983	2.9
119.08584	33.3
119.09361	2.9
121.06510	10.5
121.10146	21.1
123.08069	5.5
123.11715	5.1
125.09632	21.9
127.03947	3.2
129.07008	19.8
131.04926	2.6
131.08566	31.6
133.06506	7.1
133.10139	29.4
135.08049	8.6
135.11710	13.1
137.09639	6.6
141.07007	3.7
142.07768	3.3
143.08560	8.3
145.06506	4.9
145.10123	22.0
147.08092	8.2
147.11693	23.1
149.09622	21.6
149.13239	6.8
151.11209	3.5
153.09081	2.3
155.08603	4.9
157.10143	17.8
159.11673	11.5
161.09619	4.8
161.13235	3.4
163.11185	12.1
165.12778	3.7
169.10147	5.5
171.10231	3.1
171.11710	5.5
173.04483	2.3
173.09663	4.0
173.11798	2.5
173.13275	4.7
175.11211	14.1
177.12805	3.6
179.14362	2.1
181.10146	3.8
183.11646	4.1
185.13249	2.7
187.11223	3.8
189.11247	12.2
189.12714	2.5
193.12238	29.0
195.11966	2.0
195.13788	3.2
197.13309	3.8
199.11227	2.1
205.12306	3.3
211.13130	2.9
213.16525	2.9
216.55064	1.9
217.15883	3.4
227.12778	27.1
229.14392	6.2
229.19620	2.2
233.15472	3.8
239.18188	2.1
243.16153	1.8
245.13771	4.0
249.14845	4.1
255.15887	8.7
257.19077	5.6
267.15912	96.1
268.16296	2.3
269.17426	19.8
273.14703	2.4
273.18552	2.4
275.20068	26.5
285.16937	3.1
291.19467	5.4
293.21161	3.0
297.22379	2.5
315.23395	2.9
331.22696	2.1
349.23810	33.4
349.27997	2.5
351.23163	2.9
365.23373	3.4
367.24832	4.8
369.24393	2.1
373.23904	2.8
387.25302	2.2
403.24802	2.4
421.26007	8.4
435.27231	2.5
437.25394	4.6
443.27850	7.8
447.27444	28.5
449.30365	5.9
459.27380	6.3
461.29004	69.0
463.30594	2.0
467.31451	5.7
477.28690	4.6
485.32794	3.7
493.32141	9.2
501.32285	2.5
519.32501	2.0
523.33911	5.8
541.35284	91.7
542.35260	5.3
559.36292	32.4
573.37769	4.2
591.38611	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	805.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74510	10.1
67.05499	15.6
69.18381	19.7
69.18784	86.2
89.03897	12.5
95.04930	11.3
103.05459	52.5
105.07008	11.0
117.03362	26.2
123.02931	10.3
131.04913	100.0
145.02803	53.4
154.05878	10.7
161.06009	10.3
177.05501	87.1
197.09674	11.5
197.67421	9.5
230.24805	31.2
463.17471	18.0
536.51074	10.3
565.49060	12.3
787.22894	49.0
805.24554	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	1.0
58.81783	0.4
59.05007	1.1
67.05511	3.0
69.03433	15.3
69.07071	1.9
70.83024	0.6
70.83374	0.6
71.05004	0.7
77.03938	0.6
79.05479	2.3
81.07059	1.6
83.04982	7.7
83.05451	0.5
83.08629	0.8
85.02903	1.2
85.06555	3.1
87.04465	0.7
91.05479	10.0
91.06013	0.7
93.07047	48.2
95.04978	5.0
95.08611	3.2
96.12975	0.4
97.02898	0.4
97.06529	2.2
99.04450	0.5
103.05472	1.7
104.31919	0.3
105.04523	1.1
105.07034	3.3
107.04957	0.6
107.08597	3.0
109.06516	3.0
109.10149	3.5
111.08092	2.8
113.06011	1.8
117.07002	1.6
119.08568	2.2
121.06509	100.0
121.10094	2.6
122.06866	0.7
126.98262	0.4
127.07561	8.1
129.07002	0.6
130.07829	0.4
131.08560	1.6
133.10117	1.7
135.08055	1.8
135.11725	1.4
137.09615	3.2
139.07538	3.5
144.09322	0.8
145.06465	0.5
145.10156	2.5
147.08067	1.2
147.11652	0.5
149.05988	1.1
149.09607	3.7
149.13260	0.6
150.75114	0.4
151.11163	0.4
153.09097	1.4
155.10675	9.9
156.76703	0.4
157.08655	0.7
159.11696	8.8
161.09653	0.9
163.11165	2.3
165.09123	0.9
167.06996	0.5
169.10097	0.4
172.08830	0.8
175.11194	1.7
177.12755	3.0
179.10649	2.0
187.11197	4.2
193.12230	3.1
205.12247	64.9
206.12610	0.7
223.13297	55.1
224.13489	0.5
241.14359	15.1
526.38220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	9.3
65.03928	1.6
67.05511	26.5
69.03440	6.8
69.06730	1.1
69.07079	18.1
71.04985	2.8
71.55534	1.0
72.08157	1.5
72.89670	0.7
79.05502	25.7
81.03426	56.4
81.07064	24.1
83.04993	5.8
83.08631	15.8
85.02917	2.3
85.06565	1.8
90.42810	0.8
91.05488	23.6
93.07057	19.0
95.04972	19.3
95.08622	9.6
97.02897	8.5
97.06532	4.1
97.10191	9.5
102.26367	0.9
103.05490	0.9
105.04531	1.0
105.07043	19.6
107.04969	9.5
107.08606	14.1
109.06530	4.2
109.10172	12.9
111.04461	1.9
111.08098	4.8
115.05438	1.3
117.07028	5.5
119.05014	1.1
119.08595	17.3
121.06513	4.9
121.10172	6.2
123.08045	3.1
123.11706	1.3
125.09644	8.2
129.07033	7.4
131.04904	1.4
131.08588	10.9
133.06511	3.6
133.10133	12.2
135.08075	3.8
135.11705	3.6
137.05986	1.0
137.09596	2.8
142.07822	1.3
143.08575	3.6
145.06502	1.5
145.10168	5.1
147.08035	7.2
147.11687	6.1
149.09604	5.0
149.13257	1.4
151.11203	3.5
153.09135	1.0
155.08716	0.9
157.10136	7.5
159.11691	1.9
161.09631	3.0
163.11212	2.3
165.12752	1.1
169.10168	1.3
169.12212	1.2
171.11714	2.0
175.11221	7.5
183.11780	0.9
185.09686	0.8
186.22302	1.0
189.11238	2.2
189.12730	1.0
193.12239	11.6
195.13780	1.4
205.12247	3.1
211.13428	1.5
219.13789	4.0
223.13319	14.0
227.12779	6.7
229.14314	0.8
245.18881	1.2
249.14906	3.1
253.14403	8.7
263.19962	1.2
267.15945	74.6
273.18512	9.0
287.19937	0.9
291.19562	60.3
309.20609	0.9
313.21680	1.9
347.22122	1.5
365.23270	43.4
385.23822	0.9
445.25742	4.9
459.27606	5.5
463.26889	1.8
465.30115	2.2
477.28329	4.0
483.31039	1.7
501.31879	0.9
537.11108	0.8
539.33685	7.4
540.82690	0.9
557.34802	100.0
558.34937	2.8
575.35864	1.2
589.36786	1.0
599.36493	1.0
665.38037	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00732	1.1
57.03441	11.6
57.07066	1.1
65.03940	2.6
66.37059	1.2
67.05508	55.0
69.03423	5.5
69.07075	13.6
71.04989	5.5
71.55255	2.4
79.05495	36.9
81.03422	78.7
81.07061	58.0
83.04987	12.6
83.08620	18.5
85.02896	3.1
85.06557	5.9
90.24908	1.1
91.05484	49.8
93.07047	34.6
95.04974	29.7
95.08051	1.7
95.08614	19.1
95.30832	1.1
97.02891	4.8
97.06538	5.9
97.10171	4.0
98.62518	1.4
99.04421	1.8
103.05457	2.6
105.07033	46.5
107.04965	10.6
107.08597	31.5
109.06531	11.8
109.10161	49.0
111.04433	3.6
111.08084	6.2
113.05990	1.6
115.05476	3.5
117.07018	7.7
119.04936	1.2
119.08585	21.7
121.06538	8.2
121.10160	11.1
123.04429	2.2
123.08065	6.5
123.11692	6.7
125.09610	2.7
127.07552	1.2
128.06190	1.6
129.06996	10.9
131.04930	2.5
131.08585	16.3
133.06479	6.3
133.10139	55.7
135.08047	7.0
135.11703	5.6
137.09598	1.8
142.07785	2.8
143.08566	3.8
145.06516	1.2
145.10159	8.2
146.08206	1.6
147.08017	6.2
147.11694	9.3
149.09634	12.2
151.11186	26.1
153.09160	1.3
155.08662	2.4
157.10149	12.8
159.08086	3.0
159.11732	3.1
161.09694	6.9
161.10780	1.2
161.13301	1.5
163.11172	7.0
165.09027	1.4
165.12823	1.3
169.12280	3.2
171.11736	3.2
175.11189	11.0
179.10680	4.1
181.12239	1.9
183.11754	1.9
185.13300	1.9
189.09131	1.2
189.12799	1.4
193.12253	18.5
195.11664	1.4
199.11189	1.7
205.12135	1.4
207.76915	1.3
211.13144	1.6
213.57204	1.2
215.12746	2.3
227.12772	5.6
227.48521	1.3
231.13849	1.5
245.19058	4.2
249.14836	1.7
251.12796	1.4
253.14371	83.1
263.20148	2.6
267.15921	76.1
268.16135	1.6
273.18500	14.3
283.15421	4.8
287.20074	7.1
291.19534	18.7
309.20468	3.1
316.14645	1.3
347.22076	4.0
365.18985	2.1
365.23291	29.1
367.22482	1.7
371.22287	1.7
383.24527	1.4
389.23355	2.7
403.24695	1.6
421.25775	1.9
445.25912	19.6
447.28961	2.5
450.19647	2.2
461.25204	2.3
463.26950	31.6
465.29843	5.1
483.31207	2.7
521.32947	1.5
539.33704	19.7
541.14941	1.4
557.34766	100.0
558.34979	3.3
575.35754	4.2
607.35083	1.5
698.30847	1.6
804.36450	16.6
804.50238	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	804.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.40746	0.6
61.02915	1.0
61.86690	0.5
65.08715	0.6
67.05508	7.4
69.03430	1.6
69.07060	2.0
69.57726	3.5
71.04990	0.6
73.52452	0.6
77.03942	2.1
77.33942	0.5
79.05492	6.1
81.03427	5.8
81.07063	5.1
83.01331	0.7
83.04981	1.9
83.08613	1.5
84.54280	0.6
85.02910	1.4
91.03931	1.1
91.05495	9.6
93.07050	5.8
95.04971	8.7
95.08611	4.1
97.02889	1.7
97.06520	1.3
97.10201	0.8
98.20850	1.3
99.77591	0.6
103.05475	48.5
105.03403	20.7
105.04438	2.9
105.07036	13.0
107.04948	2.7
107.08602	2.7
109.06538	1.3
109.10172	2.2
111.04439	0.8
111.08115	0.6
115.05463	4.2
117.07045	5.1
119.04946	1.5
119.08599	6.5
121.06496	2.8
121.10168	1.3
123.04425	1.1
123.08070	1.3
125.05975	1.4
128.06230	2.9
129.07016	4.7
130.07805	0.8
131.04938	100.0
131.08578	6.6
133.06497	6.9
133.10127	3.2
135.04384	1.5
135.08072	2.0
135.11772	0.8
137.05916	1.4
137.09686	0.9
141.07004	2.4
142.07799	2.6
143.08563	6.9
145.06503	4.1
145.10147	3.9
147.08078	2.2
147.11705	1.0
149.05974	1.6
149.09615	1.2
151.07574	1.3
152.06096	0.8
154.07770	2.0
155.06107	0.6
155.08562	3.6
156.09319	2.9
157.06541	1.8
157.10165	3.9
158.07309	0.7
159.08073	3.6
159.11746	1.5
161.06000	11.6
161.09616	1.5
162.06847	0.7
163.07558	3.9
165.06927	1.5
166.07823	1.5
167.08594	2.6
169.06511	1.9
169.10110	5.8
170.07295	0.8
170.10866	1.4
171.08031	3.3
171.11694	4.8
173.06036	1.5
173.09677	2.0
173.13336	1.0
175.07629	1.1
175.11176	1.1
179.07104	1.2
179.08585	1.6
180.09296	0.7
181.06433	1.0
181.10167	1.8
182.07355	1.2
183.06699	0.6
183.08090	3.4
183.11655	1.4
184.08850	2.6
185.06024	1.1
185.09642	3.8
187.07588	2.3
187.11205	1.9
187.14825	0.9
193.10188	1.8
193.12210	0.9
195.08066	2.6
195.11679	0.7
196.08878	1.5
197.06062	1.7
197.09647	5.8
197.13295	0.9
199.07520	1.7
199.11201	10.9
201.09169	1.2
205.08546	1.5
207.08096	2.2
207.11707	1.4
208.08890	1.3
209.09647	1.8
211.07710	0.7
211.11201	0.8
213.09087	3.7
215.10797	2.3
215.14366	0.7
217.08546	1.5
218.11079	0.8
221.09616	1.0
221.13414	0.8
223.07574	1.7
223.11282	1.2
225.09123	9.1
227.10753	1.4
227.12796	0.8
229.08502	0.9
229.12306	0.8
229.14304	0.7
230.11058	1.0
231.06451	0.9
233.09685	0.8
235.07599	1.4
235.09612	0.9
237.09119	1.8
237.12805	0.8
238.09950	0.7
239.10727	2.5
241.08533	4.5
243.10345	1.7
245.07970	0.9
247.09760	2.1
249.09227	0.7
251.10664	1.2
253.08583	0.7
255.10271	2.2
257.07953	3.2
257.11865	0.9
259.09518	1.1
263.10767	1.0
265.08691	0.7
267.10266	2.5
267.16000	1.7
269.08081	1.1
271.09714	1.3
274.13214	0.7
283.09750	0.9
285.11224	3.2
289.12003	0.7
291.19666	1.3
301.11331	1.8
303.12335	1.8
309.11313	1.2
311.10406	0.7
313.12296	0.8
314.13171	0.9
315.13928	0.8
317.15323	0.8
321.14700	0.7
325.46872	0.6
329.15405	1.1
331.16833	1.0
333.15033	0.7
343.13437	1.1
347.16498	1.2
355.13153	0.6
357.14728	1.1
359.16068	1.2
365.23346	0.8
373.14282	1.6
377.17313	1.2
385.14343	1.4
389.13696	1.0
389.27231	0.8
403.15344	2.3
413.14041	0.9
417.16809	1.0
419.14673	1.0
421.16394	1.2
421.26132	0.8
431.14954	1.5
433.16446	2.6
435.18210	1.3
445.16626	2.9
445.29510	22.2
449.16159	2.3
451.17691	2.4
463.17462	9.4
463.30374	4.2
464.17792	0.8
481.18555	4.9
541.34583	0.8
557.34741	1.8
570.40710	0.6
575.35864	0.7
599.22546	3.6
603.22333	0.9
611.22717	6.6
629.23608	4.6
647.24500	0.9
691.24493	1.0
733.26874	0.8
751.26086	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.5
58.20285	0.7
60.65730	0.7
67.05508	7.3
69.03411	1.3
69.07064	2.4
69.17696	7.5
69.18100	1.1
70.17729	0.9
77.03912	1.3
77.54785	0.8
79.05492	7.3
81.03426	5.7
81.07070	5.9
83.04982	1.0
83.08609	1.7
85.02897	1.6
88.97429	0.8
91.05471	7.7
93.07046	6.6
95.04972	11.7
95.08602	3.9
97.02875	1.2
97.06508	1.2
97.10085	0.9
98.21536	1.3
102.04689	1.3
103.05470	50.4
105.02726	1.4
105.03400	23.9
105.04516	2.2
105.07040	9.5
107.04932	2.4
107.08595	2.7
109.06501	2.3
109.10184	1.9
111.04408	1.2
115.05449	2.8
117.06999	3.3
117.72502	0.9
119.04916	1.1
119.08577	4.2
121.02886	0.9
121.06509	2.7
121.10142	1.6
123.04459	0.8
123.08066	1.5
125.05990	1.6
127.03991	0.9
128.06244	1.5
129.07016	4.0
131.04933	100.0
131.08588	5.5
132.05292	1.1
133.06517	5.8
133.10118	2.9
135.04341	1.3
135.08061	3.5
137.05963	2.0
137.09575	0.9
140.17914	1.0
141.06996	3.6
142.07765	2.4
143.08578	6.9
145.06555	3.9
145.10133	4.6
147.08046	1.4
149.06012	1.6
149.09656	2.0
152.06168	1.1
153.06934	1.2
154.07802	1.8
155.08559	2.5
156.09352	3.8
157.06470	1.0
157.10167	4.7
158.07260	1.3
159.04376	1.2
159.08038	4.3
159.11752	1.9
161.05978	11.5
161.09552	1.0
163.07506	3.8
163.11168	1.2
165.05476	1.6
165.06941	1.7
167.08554	1.9
169.06458	2.1
169.10115	4.3
171.08049	2.8
171.11685	3.8
173.05908	1.5
173.09601	2.2
175.07515	1.2
177.05399	1.1
177.09135	0.9
178.07713	1.1
179.07129	1.5
179.08525	2.2
181.10100	1.8
182.07314	1.3
183.08043	3.2
183.11795	1.7
184.08792	2.5
185.06006	1.5
185.09630	4.2
187.07587	2.3
187.11189	1.0
189.09085	1.0
193.10074	0.9
195.08086	1.2
195.11757	1.0
196.08824	1.2
197.05968	0.9
197.09641	5.7
198.10358	0.9
199.07593	1.0
199.11188	9.7
201.09058	1.2
203.06917	1.0
203.08652	1.0
206.10947	1.0
207.08139	2.0
207.11746	1.6
209.09605	2.6
211.07587	3.0
211.11079	1.3
213.09071	4.5
215.10655	1.9
223.07555	2.4
223.11165	1.2
225.09125	9.8
227.10649	2.0
229.08487	1.3
229.14362	1.1
235.07445	1.6
237.09163	1.7
239.10634	1.6
241.08412	4.3
243.10066	2.6
245.08104	1.3
247.09662	2.3
249.35793	0.8
251.10802	1.0
253.08592	2.0
255.10234	2.3
257.08075	2.7
257.11765	1.8
259.09592	1.1
267.10144	2.9
267.15906	1.8
271.14740	0.9
283.09692	1.8
283.15054	0.8
285.11136	4.5
301.10864	0.9
303.12451	2.7
331.13043	0.8
347.16565	1.3
349.14133	1.1
355.13101	0.9
357.14667	1.4
359.16364	1.9
367.12961	1.3
373.13809	0.9
377.17468	0.9
385.14514	1.9
389.17941	1.1
391.15421	1.0
403.15363	2.4
405.17044	1.1
413.13718	1.3
419.14386	1.3
421.16458	1.1
421.25873	1.0
431.14835	1.6
433.16452	3.6
435.17950	0.9
445.16275	3.0
445.29535	11.6
449.15976	2.2
451.17682	4.3
463.17673	10.8
463.30521	2.8
481.18573	5.5
541.35156	1.6
557.33929	1.0
599.23065	4.9
603.21936	1.4
611.22809	8.4
629.23712	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	803.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45035	4.3
67.05495	7.4
68.05006	5.3
69.03416	21.2
69.07074	5.0
70.06593	34.3
71.20190	8.8
79.05505	13.3
81.03475	5.2
81.07072	6.7
82.02928	17.0
83.04981	4.8
86.06044	21.6
87.04472	16.2
91.05470	16.2
93.07052	7.8
95.04934	7.0
98.06060	100.0
103.05491	9.3
105.07027	17.0
107.04959	5.0
107.08595	6.6
109.06521	6.2
115.05508	6.4
116.07077	5.3
117.07013	54.2
119.08585	27.2
122.06029	13.4
124.07583	12.5
126.94881	4.6
129.07010	14.7
131.04895	22.4
131.08585	20.9
132.05260	7.4
133.06471	5.2
133.10106	25.1
135.08032	8.4
142.07771	9.8
143.08553	21.0
145.06516	26.5
145.10143	17.1
147.08041	14.4
149.09604	7.4
150.05481	24.7
152.07047	6.3
155.08548	10.2
156.09370	13.4
157.10135	27.5
159.08051	10.7
159.11798	4.7
161.05913	4.2
161.09593	14.6
167.08563	7.5
168.06570	27.4
169.10136	15.6
170.10925	10.5
171.08080	9.4
171.11713	47.2
173.09641	14.7
175.11183	7.1
179.08565	4.6
180.09384	5.3
181.10150	9.7
183.08080	8.3
183.11717	40.3
184.08824	5.5
185.09613	10.3
185.13246	41.8
187.11205	9.6
187.14861	5.3
195.07954	6.0
195.11708	16.9
197.09639	11.6
197.13184	10.3
198.10318	10.3
199.07637	4.9
199.11195	30.2
200.10625	7.2
202.12254	17.1
207.11749	6.2
209.09746	10.2
211.11235	21.0
213.12744	74.6
214.12639	5.2
217.10289	6.3
219.11800	8.2
221.13347	5.5
223.11240	11.1
225.09055	5.4
228.10342	6.9
229.10138	5.3
230.11824	30.1
233.13391	10.0
235.14854	6.2
237.09152	6.9
241.12238	9.6
244.12793	5.9
245.13277	10.3
245.15453	13.6
246.10854	4.2
246.13936	5.7
247.11238	11.0
247.14816	8.4
248.12865	30.3
256.09796	9.1
258.11395	9.0
258.13998	9.6
259.11240	4.8
259.14816	19.4
260.12854	11.7
261.12823	10.8
261.16422	4.9
262.13824	9.0
265.12305	10.3
269.13174	7.3
271.14761	7.1
273.15067	16.7
274.10770	8.7
276.12384	6.3
281.13156	5.4
282.14169	5.5
284.15854	5.6
285.12909	6.1
285.16339	6.7
286.13712	11.6
287.14297	9.1
291.17603	7.4
297.16397	11.9
299.14520	6.9
299.18015	6.4
301.15829	12.2
302.16745	11.9
309.12805	4.8
311.17877	10.6
315.17255	11.2
327.17487	7.8
329.19153	8.2
339.17419	17.3
357.18509	15.4
424.22736	6.4
428.22449	12.2
442.23575	11.1
452.22336	6.0
455.21265	5.5
470.23160	34.7
484.24905	7.7
488.24246	26.5
490.25769	7.4
502.26038	31.4
502.32465	5.5
520.26813	38.7
530.25403	5.5
548.26563	26.5
566.27557	6.0
580.28992	16.7
595.28668	18.9
598.29932	25.7
608.28668	36.6
634.30249	4.9
640.31067	10.8
666.31909	6.0
676.31226	32.6
694.32153	89.9
708.33936	47.5
726.34723	84.3
727.35229	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	803.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43702	0.6
67.05498	1.8
69.93372	3.0
79.05495	1.0
80.39355	0.5
81.03459	0.7
81.07056	0.7
82.06574	1.8
83.04984	1.1
91.05476	1.9
93.07056	0.9
93.40093	0.5
95.04971	1.7
95.08604	0.7
97.02909	0.6
97.06535	1.2
100.07636	4.6
103.05495	1.9
105.03416	0.6
105.07062	2.2
107.08623	1.3
109.10145	0.7
117.07030	0.7
119.08600	1.6
121.06537	1.1
123.08146	0.7
129.07027	1.1
131.04965	1.8
131.08609	1.3
136.79884	0.6
143.08563	1.7
145.06525	1.0
146.08144	12.7
146.09256	0.8
147.08405	1.8
159.08127	0.8
161.06001	0.6
169.10127	0.9
171.11703	0.7
181.10075	0.7
183.11781	0.8
187.11263	0.8
197.09624	0.8
199.11198	1.2
223.68045	0.5
227.10721	1.0
357.13388	1.2
435.17938	0.6
525.21100	0.7
539.18774	1.1
553.20557	22.2
554.21045	1.2
627.23956	0.7
655.24176	2.0
657.26556	1.4
701.25812	8.0
803.28876	100.0
804.28925	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	802.385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	2.9
65.03951	1.8
67.05505	13.9
69.03432	20.8
69.07058	9.0
71.04987	5.6
71.29099	1.8
71.29438	2.0
73.02893	2.2
74.51464	1.3
79.05497	13.8
81.03408	4.8
81.06583	2.0
81.07058	24.9
83.04973	5.1
83.08607	5.5
85.02911	11.0
85.06543	4.6
87.04462	9.6
91.05488	17.8
93.07047	24.3
95.04972	6.0
95.08606	24.6
97.02882	6.4
97.06532	30.8
97.10155	2.5
99.04466	7.9
101.06001	1.8
103.05470	2.7
105.07034	36.0
106.86983	1.4
107.04976	2.5
107.08589	32.2
109.02861	2.6
109.06512	7.2
109.10159	15.9
111.08060	3.9
113.05999	3.6
115.03926	4.2
115.05429	3.1
117.06996	8.3
119.08580	49.9
121.06512	6.3
121.10142	32.8
123.04424	1.8
123.08083	4.8
123.11711	16.4
125.05975	1.6
125.09605	1.9
127.03913	2.4
127.07524	2.4
128.06194	2.5
129.07007	9.1
130.07820	2.1
131.08569	30.0
131.09526	2.4
133.06462	3.4
133.10133	46.7
134.17154	1.4
135.08028	5.6
135.11697	13.6
137.05942	3.2
137.09607	3.4
139.07526	20.4
141.05449	3.7
141.06984	3.1
142.07764	7.4
143.08571	26.5
144.09340	2.1
145.05022	3.5
145.06488	2.8
145.10120	49.2
146.10428	1.4
147.08072	6.3
147.11693	24.0
149.09637	5.0
149.13278	3.8
151.07556	4.9
151.11121	2.4
153.09114	5.9
154.07809	2.1
155.07278	2.1
155.08572	13.8
156.09335	8.2
157.10123	43.5
158.10912	4.2
159.08041	3.6
159.11693	42.0
161.09636	8.3
161.13254	15.0
162.07625	2.6
163.07535	4.7
163.11176	4.2
163.14841	1.9
165.07004	1.7
165.09093	7.7
167.08502	2.5
167.10667	3.1
168.09348	3.6
169.10112	25.3
170.10878	2.6
171.08044	3.1
171.11684	48.2
172.12263	1.7
173.09602	6.8
173.13260	32.0
175.11185	5.3
175.14865	4.0
177.09074	7.5
177.12749	3.5
179.08627	4.6
179.10660	8.8
180.08737	3.3
181.10138	13.4
181.12231	3.1
182.10904	5.5
183.06548	2.0
183.10165	4.3
183.11688	24.0
184.12469	2.2
185.08104	18.0
185.09627	5.6
185.13254	32.1
186.13882	2.1
187.11215	6.8
187.14809	13.9
189.09053	4.1
189.12709	3.6
191.10690	8.5
193.10109	6.0
193.12285	6.6
194.10921	4.1
195.10152	2.5
195.11705	22.6
196.12483	6.5
197.09689	2.9
197.11597	1.8
197.13260	26.5
198.13940	1.6
199.11217	7.6
199.14835	17.7
200.15475	3.7
201.09079	1.4
201.12801	3.8
201.16310	3.4
203.10690	6.5
203.14238	2.6
205.10141	2.3
205.12064	3.3
207.10092	4.1
207.11720	8.0
207.13605	2.8
208.12454	4.3
209.09836	3.0
209.11674	4.1
209.13326	23.2
210.14009	2.3
211.11292	3.6
211.14836	23.5
213.12761	14.8
213.16307	9.4
215.10718	2.6
215.14340	4.3
217.10210	1.6
217.12236	5.7
219.11629	5.1
219.13824	5.7
220.12462	3.2
221.11426	3.2
221.13484	10.0
222.13786	1.7
223.11195	4.6
223.14862	22.3
224.15569	3.8
225.12807	3.1
225.16405	11.7
227.14349	5.3
227.17957	7.7
229.12251	5.0
229.15854	3.1
231.13834	13.2
233.13223	4.6
233.15404	7.9
234.14053	3.0
235.14951	7.3
236.15704	2.0
237.12735	2.6
237.16403	10.5
238.17068	1.9
239.14352	3.8
239.17989	6.6
240.18541	2.3
241.12178	2.4
241.15790	3.2
241.19557	7.9
243.13896	4.1
245.15411	5.8
246.13972	2.5
247.14847	4.6
247.17093	3.2
249.12767	2.3
249.16565	10.7
250.17035	1.6
251.14345	2.3
251.17921	8.3
253.19516	2.0
255.13806	4.7
255.17369	1.9
257.15298	4.1
259.13232	2.3
259.17044	2.9
263.17908	5.5
265.15866	5.0
265.19437	7.0
266.20224	1.7
267.17471	2.1
267.21124	7.7
269.15393	4.1
269.19037	4.4
271.16931	4.5
273.14771	2.1
273.18680	2.4
279.17630	1.9
279.21024	2.3
281.22513	1.6
283.16953	4.2
285.15045	1.8
285.18457	2.9
287.16977	3.1
287.20041	21.0
289.19418	2.1
291.17429	2.9
291.20944	2.9
293.18881	2.9
295.17056	1.9
299.16574	3.0
307.20465	5.8
309.18759	3.0
309.21964	8.2
311.16461	2.0
311.19904	1.9
313.17978	4.2
315.19623	2.8
321.18640	2.4
325.17899	4.7
325.21671	6.9
326.22287	3.0
327.19522	5.9
327.23163	14.6
329.17603	2.7
333.21881	4.3
335.19965	4.1
335.23615	3.3
337.17865	2.1
339.19446	8.9
341.21262	2.2
343.18973	1.9
345.20731	3.9
349.25275	1.6
351.23050	3.8
353.21112	6.9
353.24881	2.4
355.18805	1.9
355.22696	6.4
357.20526	7.5
359.23465	5.2
363.19257	2.1
367.19119	2.4
369.24289	3.6
371.18341	1.9
373.23880	7.4
377.24750	16.0
379.22461	2.3
381.20288	5.2
381.24414	25.4
383.25851	1.9
385.20096	3.5
387.22821	3.9
395.25851	28.4
399.21484	3.7
399.25650	21.6
403.21002	1.8
405.24332	11.5
411.25327	6.1
413.26901	13.1
417.26309	6.1
423.25281	49.7
424.25494	2.2
429.26459	13.6
441.26367	99.6
442.26624	1.9
447.23801	2.0
459.27402	100.0
460.27603	3.9
521.27435	6.8
535.29108	1.9
581.29370	5.2
585.30780	3.2
603.31146	6.5
614.59766	1.5
770.86255	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.5
69.03413	0.8
69.18153	6.7
77.61676	0.6
78.93277	0.7
79.05496	2.4
80.43427	0.9
81.03419	1.9
81.07067	0.8
83.04996	1.1
91.05499	3.2
93.07018	1.7
95.04983	7.2
95.08617	1.4
103.05473	39.8
105.07030	4.6
107.04961	1.0
107.08644	1.3
109.06507	0.8
115.05473	2.1
117.07035	1.8
119.04966	1.1
119.08582	2.0
121.06505	1.2
123.08088	0.9
125.05966	1.0
128.06241	1.3
129.07027	1.9
131.04939	100.0
131.08606	2.2
133.06483	6.6
135.04442	1.0
135.08058	2.0
141.07024	1.2
142.07765	1.8
143.08537	3.9
145.06496	2.4
145.10130	1.0
147.04507	0.9
147.08044	1.3
149.05971	1.7
155.08583	2.4
156.09373	1.6
157.06543	1.5
157.10112	2.2
158.07175	0.7
159.08041	3.1
161.04660	0.7
161.06000	13.5
161.09651	1.5
163.07558	2.9
165.07002	1.1
166.07826	1.3
167.08568	1.2
169.06480	1.6
169.10194	2.0
169.29352	0.7
171.08089	2.2
171.11723	2.4
172.08955	1.1
173.09712	1.6
175.03972	0.8
175.07570	2.2
179.07135	0.9
181.10205	0.9
182.07230	0.9
183.08081	1.6
183.11682	1.2
184.08908	1.8
185.06102	0.7
185.09641	3.0
185.13135	0.9
187.07533	3.4
187.11234	1.2
193.10220	1.1
195.08090	1.6
197.06012	1.1
197.09668	3.3
199.07553	3.1
199.11208	6.8
201.09047	1.5
205.08600	2.0
205.78447	0.8
209.09488	1.5
211.07597	1.1
211.11371	1.4
213.09105	4.7
215.07053	1.6
215.10635	1.7
217.08537	1.2
221.09622	0.9
223.11165	1.1
225.05559	1.6
225.09097	5.9
227.07039	1.2
227.10672	1.4
231.10121	1.1
233.08041	10.3
241.08624	3.9
243.06514	0.8
243.10187	1.7
247.09816	2.0
255.10202	0.8
257.08096	15.1
257.11780	1.5
259.09662	7.4
261.11041	1.5
267.10135	1.7
273.11395	1.1
275.09177	2.0
285.11343	2.8
288.57996	0.7
289.12418	1.2
301.10748	8.7
303.12451	2.7
319.11734	4.2
385.14517	1.3
401.13889	1.1
403.15244	2.3
405.15540	1.8
421.15369	1.0
431.14816	1.1
435.17728	0.8
445.16595	1.7
463.17383	3.8
481.18488	4.4
497.18088	0.8
499.19818	4.7
517.20795	3.9
551.19110	4.0
571.21613	1.5
583.22058	1.3
601.22650	2.0
713.25671	2.9
731.26978	10.7
749.28088	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	800.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75182	3.7
57.03433	5.3
61.43707	3.6
67.05508	12.6
69.03431	25.0
69.07082	8.5
71.35137	7.9
75.41410	3.4
79.05495	11.3
81.03418	14.6
81.07049	13.4
83.04980	10.3
84.46555	3.4
85.02914	13.5
87.04478	9.3
91.05485	14.0
93.07040	12.2
95.04976	4.4
95.08612	22.1
97.02883	7.5
97.06514	6.4
99.04466	17.2
102.99603	4.0
105.07036	25.8
107.04976	4.7
107.08582	25.7
109.02874	7.8
109.06507	7.3
109.10161	7.5
115.03940	4.0
117.07072	8.7
119.08572	33.5
121.10117	13.3
127.03905	24.8
129.06996	11.0
131.08568	21.7
133.10162	24.5
135.11736	9.3
142.07788	9.4
143.08565	22.5
145.10138	27.6
147.08139	5.4
147.11705	17.0
149.09654	7.6
151.07545	5.4
153.75072	4.0
155.08514	19.9
156.09361	6.4
157.10139	33.3
159.08038	5.4
159.11711	21.3
161.09627	5.5
161.13329	5.0
167.08562	9.9
168.09215	4.4
169.10141	28.5
170.11034	6.1
171.06651	4.3
171.08095	4.2
171.11687	26.8
173.09734	6.2
173.13274	12.6
175.11189	7.2
177.09126	4.4
179.08517	7.9
180.09343	9.2
181.10127	23.1
182.10941	8.2
183.11700	37.2
185.09608	5.3
185.13252	17.7
187.11298	7.0
193.10156	16.9
194.10910	9.3
195.11708	33.9
196.12465	7.3
197.13225	26.7
199.11188	9.7
199.14818	8.2
201.09097	4.3
205.10136	5.4
206.10928	11.3
207.11732	32.1
208.12474	9.4
209.13310	38.0
210.14003	7.6
211.11240	7.5
211.14790	29.1
213.12752	8.4
217.12131	5.2
219.11772	7.6
219.86349	4.3
220.12408	8.2
221.13283	26.9
222.13916	7.6
223.11192	7.9
223.14806	44.4
224.15610	7.0
225.12685	7.6
225.16386	14.3
228.33034	4.0
229.12376	6.5
231.11665	9.4
231.13710	6.1
233.13194	11.4
235.14882	24.3
237.12784	7.7
237.16429	20.1
239.17854	6.8
246.14073	5.3
247.14903	24.4
249.16380	15.9
251.14270	5.3
251.18095	6.2
255.13852	8.0
257.15448	6.2
259.14999	5.2
261.16455	13.0
263.14392	7.9
263.18008	18.1
265.15878	13.5
265.19522	25.7
266.20160	5.0
269.15280	7.4
275.17947	6.6
277.15735	8.9
277.19305	4.5
279.17221	5.1
279.21121	10.9
281.15555	5.8
283.16763	6.8
289.16016	5.3
291.17401	6.7
305.18851	22.4
307.20624	39.7
323.16382	7.0
323.20102	16.2
325.17917	8.6
325.21652	100.0
331.20560	5.4
337.17795	9.6
347.23636	5.3
351.19403	8.3
367.22678	5.7
375.23218	18.4
379.22766	17.0
385.23755	6.4
393.24188	24.3
397.19516	6.2
397.23901	13.3
403.22772	8.2
409.23837	10.1
411.21475	12.6
421.23718	57.8
427.24863	13.9
429.22739	45.2
439.24857	69.0
447.23416	6.8
457.25827	31.6
469.26047	41.0
489.24969	26.7
571.28992	6.1
573.26971	16.6
583.28644	19.8
601.30151	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	5.4
57.07072	2.9
61.02940	1.9
67.05517	13.6
69.03433	59.2
69.07069	8.9
70.45823	3.8
70.46192	4.1
71.04990	9.0
73.02929	2.0
74.00994	1.5
74.71647	1.6
79.05492	16.3
81.03429	15.1
81.07065	20.8
83.04990	11.9
83.08617	6.3
84.08138	4.0
85.02913	21.4
85.06508	1.7
87.04457	13.5
88.17674	2.2
91.05477	23.2
93.07053	19.0
95.04970	7.7
95.08611	20.9
97.02901	13.5
97.06538	9.8
99.04453	27.9
100.14997	1.8
101.06028	4.1
103.05485	2.8
105.07034	32.6
107.04953	7.2
107.08604	28.0
109.02872	8.5
109.06516	7.3
109.10170	7.7
111.04426	2.1
111.08078	4.7
113.06005	5.4
115.03941	4.6
115.05492	2.5
115.07579	2.4
116.06198	1.6
117.07036	10.7
117.45229	1.7
118.93499	1.6
119.04957	1.8
119.08590	34.0
121.06502	6.1
121.10136	16.5
123.08083	3.4
123.11735	3.7
125.05997	4.7
127.03906	32.8
127.07565	2.9
128.06201	5.7
129.05524	2.3
129.06990	14.3
130.07780	1.7
131.08578	26.9
133.06470	3.7
133.10120	28.2
135.08044	7.1
135.11678	9.7
137.05998	3.0
139.07625	1.9
141.06996	6.9
141.09076	2.4
142.07767	9.4
143.07001	2.2
143.07419	2.7
143.08562	30.6
144.09320	2.5
145.04967	5.3
145.06493	2.3
145.10129	33.5
147.08029	6.4
147.11691	16.8
149.09637	7.0
151.07555	3.9
153.05505	3.8
153.06979	3.7
155.08556	18.6
156.09348	11.0
157.10138	44.2
159.08084	9.7
159.11705	24.3
161.09612	8.4
161.13281	3.8
163.07504	3.1
163.11121	2.4
165.07007	8.6
165.09102	2.7
166.07799	2.9
167.07253	3.0
167.08575	11.6
168.09346	5.1
169.10136	37.4
170.10890	6.6
171.06616	2.8
171.08046	4.6
171.11690	34.1
173.09622	8.8
173.13277	16.6
175.11145	9.5
177.09108	1.9
178.07706	4.3
179.08530	13.0
179.10701	3.1
180.09387	9.7
181.08673	3.1
181.10139	26.2
182.10884	11.1
183.11703	44.3
184.12427	3.4
185.09648	8.4
185.13271	20.0
187.11163	6.6
187.14786	5.0
189.09146	5.7
189.12737	2.4
191.08495	3.0
192.09386	6.6
193.10141	24.2
193.11888	3.1
194.10953	12.6
195.08070	2.8
195.11716	42.8
196.12486	8.7
197.09602	6.4
197.13264	37.8
198.14009	2.9
199.11192	11.4
199.14803	10.3
201.12810	4.6
203.08965	2.8
204.09277	2.5
205.10178	6.7
205.12115	2.3
206.10904	9.8
207.10059	3.0
207.11740	34.3
208.12491	12.0
209.09627	5.4
209.13254	49.0
210.14026	7.0
211.11310	10.4
211.14807	27.4
213.12849	8.3
213.16394	3.9
215.10672	3.1
215.14284	3.4
217.07117	3.9
217.10068	6.4
218.10945	4.1
219.11772	12.8
220.12486	7.6
221.09782	3.4
221.13274	38.3
222.13997	9.3
223.11209	7.2
223.14822	40.0
224.15552	5.6
225.12704	9.9
225.16348	15.2
227.10747	2.4
227.14366	6.1
230.10857	2.8
231.11693	7.5
231.13736	3.3
232.12488	6.2
233.13358	19.3
234.14037	9.3
235.11142	5.2
235.14851	30.6
236.15570	7.4
237.12784	12.9
237.16386	26.3
238.17137	4.6
239.10768	2.3
239.14294	8.5
239.17934	11.2
241.15852	2.5
243.11684	2.7
243.13863	3.0
244.12436	3.2
245.13321	10.0
246.14053	7.2
247.11113	2.0
247.14896	28.0
248.12012	2.9
248.15668	6.7
249.12779	4.3
249.16457	17.4
250.17204	6.1
251.14404	10.0
251.17978	6.8
252.18507	2.1
253.12259	2.5
253.15833	5.3
253.19460	3.2
255.13850	3.5
255.21039	2.5
257.13324	3.5
257.15732	2.0
258.14151	2.1
259.14874	6.8
260.15555	3.0
261.12634	2.8
261.16586	16.7
262.17142	4.1
263.14694	10.5
263.17950	20.6
264.18579	3.1
265.15936	14.6
265.19513	34.6
267.17368	3.7
269.15353	5.0
271.14993	3.0
273.16364	5.6
275.14197	3.6
275.17972	5.5
277.15851	6.6
277.19504	10.1
279.13980	2.7
279.17444	7.1
279.21082	16.7
281.15305	4.4
281.18930	2.8
283.16928	4.8
283.20456	3.1
287.17889	5.2
289.15967	5.3
289.19519	11.9
290.16861	2.0
291.17499	10.6
293.19379	2.4
295.20602	3.5
297.15109	3.1
301.15897	2.5
301.19510	2.2
303.17422	3.3
303.20981	3.8
305.15665	1.9
305.19009	33.7
305.22488	2.5
307.17090	2.6
307.20538	48.4
309.14813	4.2
311.16376	5.2
313.18329	2.9
315.17572	3.7
315.20978	4.0
319.16992	2.8
323.16306	5.8
323.20084	11.2
325.18076	5.0
325.21600	46.5
331.20471	7.9
333.18610	4.1
333.22183	5.9
337.18030	12.3
339.19705	2.7
347.23627	5.3
351.19656	9.4
353.21204	5.6
355.19125	5.5
357.22034	8.1
363.23178	2.7
367.22739	7.2
369.20590	2.8
371.22095	6.3
375.23267	28.4
377.21179	3.0
379.18777	5.0
379.22729	26.4
381.24207	4.4
383.18402	3.4
385.21310	4.1
391.22470	4.9
393.24261	42.0
397.24045	22.4
403.22540	10.2
409.23871	9.5
411.20773	18.5
411.25522	9.6
413.19327	1.9
421.23740	86.9
427.20386	3.2
427.25385	3.8
429.22656	22.9
439.24838	72.1
440.25119	2.1
443.24268	2.5
457.25897	17.9
460.24673	1.9
469.25906	100.0
487.26846	6.3
507.53287	2.2
525.24756	2.4
529.27576	4.2
543.25916	2.4
547.26617	2.4
565.28442	3.6
571.29114	10.0
573.26984	40.3
582.67169	2.1
583.29071	49.2
601.30109	51.4
619.30444	4.3
633.28601	4.7
643.30957	3.2
705.31317	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	798.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.2
67.05498	3.3
69.03429	2.6
69.07066	1.8
71.04986	1.7
79.05496	6.8
80.05834	1.3
81.03423	2.1
81.07060	5.0
83.04985	18.5
85.02917	2.0
91.05482	8.0
93.07041	5.8
95.04965	5.0
95.08604	8.6
95.18512	1.2
103.05473	44.6
104.05820	12.2
105.06129	1.6
105.07027	10.4
106.07363	1.9
107.04944	1.9
107.08584	4.3
109.02864	1.2
109.06528	2.2
109.10227	1.4
111.04411	2.2
115.05457	2.5
117.07024	4.5
119.04958	2.2
119.08592	11.4
121.06486	4.1
121.10135	1.4
123.04455	1.5
123.08093	4.1
124.65868	1.2
128.06221	3.4
129.06989	2.4
130.07825	2.3
131.04942	100.0
131.08572	8.7
132.05270	23.7
133.05513	3.9
133.06480	4.9
133.10118	5.4
135.08069	9.1
137.06061	1.2
137.09599	2.1
142.07761	2.2
143.08586	6.6
144.09293	1.2
145.06477	4.0
145.10132	11.5
146.06990	1.3
147.08026	8.0
149.05911	1.2
149.09615	4.2
154.07709	1.4
155.08556	3.5
156.09358	3.6
157.06456	2.0
157.10173	12.3
159.08076	5.4
159.11678	3.4
161.06026	6.3
161.09639	5.4
162.06342	2.5
163.07559	9.0
163.11226	6.6
165.09114	1.5
167.08623	1.9
168.09328	1.5
169.06509	1.6
169.10129	8.0
170.10886	4.0
171.08057	5.3
171.11722	18.0
172.08766	1.7
172.12207	1.5
173.06007	2.1
173.09631	11.7
175.07545	2.9
175.11215	2.2
177.05473	1.6
177.09166	2.8
179.08591	1.9
180.09283	1.2
181.10112	2.5
183.08099	2.0
183.11713	11.9
185.09615	5.2
185.13316	11.0
187.07466	2.0
187.11217	4.1
193.10159	2.5
195.11705	4.7
196.12523	1.6
197.09618	5.1
197.13290	3.6
198.10228	2.2
199.07558	1.4
199.11229	13.5
200.11821	3.6
201.09048	2.6
201.12756	1.6
203.10661	1.8
205.12276	4.2
206.10927	1.7
207.11687	5.3
208.12595	1.4
209.09616	1.8
209.13264	4.3
211.11148	8.8
213.09151	3.4
213.12758	23.1
214.89555	1.4
215.10617	2.8
217.08501	1.6
218.10837	2.0
219.11845	2.3
220.12447	2.3
221.13211	8.1
221.15085	1.4
223.07590	1.2
223.11150	4.5
223.14761	2.5
225.09201	2.8
225.12766	2.6
226.09450	1.7
227.10551	1.6
229.12309	2.8
231.10088	1.8
231.13840	1.7
232.12439	2.1
233.13315	3.7
234.14066	1.9
235.11319	1.8
235.14859	6.9
237.12848	3.1
239.14119	1.6
241.12334	2.9
242.08986	1.4
243.13806	3.1
244.12466	3.0
245.08105	2.1
245.13324	1.8
245.15381	5.8
246.14122	3.0
247.11261	2.4
247.14844	4.0
248.11980	2.7
248.15732	1.9
249.12767	2.6
249.16313	5.8
251.10657	2.1
251.14403	2.4
251.17972	1.4
253.12233	1.7
253.16040	1.3
255.13812	1.7
258.08517	1.6
259.14740	4.2
260.15656	1.6
261.12747	3.4
261.16434	4.3
262.13535	1.8
263.14163	5.7
263.18076	1.7
265.15811	2.1
265.19357	1.4
267.17554	2.8
273.14786	7.9
274.13538	2.2
275.14444	2.8
275.17975	2.5
276.15106	2.0
277.15811	7.4
280.10614	1.4
285.16153	1.9
287.14255	2.0
289.15771	3.6
290.16559	1.6
291.17438	3.5
293.15427	1.6
293.18976	2.0
294.16254	1.8
295.16779	3.0
298.13458	2.6
299.14441	1.5
300.15372	1.7
301.15787	3.8
303.17410	3.7
307.16858	2.3
309.18481	5.9
313.15912	2.1
316.14569	1.4
317.15399	3.1
319.16879	3.8
321.18384	2.0
323.20032	1.9
331.16864	3.7
333.18530	1.8
337.17932	4.5
349.18088	3.0
351.19635	5.3
353.20990	2.9
359.16275	3.1
361.18170	2.8
363.19559	2.3
367.18988	1.5
369.20609	11.0
373.18076	4.9
377.17337	2.5
381.20660	2.5
391.18915	9.3
395.18509	4.4
401.17429	2.8
403.18839	1.6
405.20514	3.5
409.20096	12.2
415.18616	1.7
419.18604	5.7
423.21735	3.3
427.21442	1.6
433.19876	3.7
435.21637	4.7
437.19424	4.8
439.21112	1.4
441.22620	2.5
451.20309	10.9
453.23181	1.4
465.22934	2.7
469.22006	23.9
483.23911	5.7
491.24167	2.1
501.24881	45.2
509.24976	2.1
551.26447	3.6
565.27631	2.4
569.27588	14.9
583.28687	4.1
601.30127	35.7
614.23547	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00407	1.6
67.05495	3.8
69.03428	2.1
71.04993	6.4
71.56031	2.6
77.60765	1.4
79.05474	5.0
81.03408	4.8
81.07069	2.7
83.04964	3.6
83.61600	1.8
91.05483	7.5
93.07043	3.3
95.04987	13.7
95.08611	2.1
97.02921	2.5
98.06040	3.5
98.85058	1.6
99.04455	5.6
100.07643	1.9
103.05470	54.2
105.07024	14.3
107.04947	4.7
107.08574	1.7
109.02879	1.6
109.06546	3.0
111.04433	2.3
115.05458	4.8
117.07032	4.0
118.13255	1.7
118.90066	1.5
119.04922	3.1
119.08594	2.3
121.06518	4.2
123.04404	1.9
128.06241	3.9
129.06981	3.3
131.04933	100.0
131.08559	4.0
133.06505	13.7
133.10060	1.8
135.08080	5.3
141.07011	4.4
142.07846	4.1
143.08569	7.0
145.06502	6.4
145.10107	3.2
146.08241	2.2
147.08057	2.3
149.05928	2.8
155.08554	3.3
156.09357	5.3
157.06499	3.5
157.10094	6.5
159.08061	5.2
159.11636	1.9
161.05983	31.9
161.09538	2.7
163.07495	4.5
165.05614	2.5
165.06992	3.7
167.08514	2.9
169.06490	3.1
169.10117	5.9
170.10849	2.6
171.08040	3.4
171.11676	7.2
171.56764	1.6
173.06033	2.1
173.09650	4.7
179.07030	1.9
179.08537	3.1
180.09319	2.1
181.10132	3.3
183.08049	6.2
184.08868	4.6
185.06020	1.8
185.09669	7.7
187.07507	4.6
187.11194	2.1
193.10088	2.0
195.07994	2.0
197.09625	10.9
199.07597	4.0
199.11185	17.9
201.09189	3.6
205.08641	2.1
207.08051	2.8
209.09636	3.2
211.07553	2.7
213.09090	9.5
215.07027	2.1
215.10701	2.7
217.08530	2.5
223.07645	2.5
223.11259	4.2
225.05525	3.1
225.09123	17.2
225.92084	1.8
227.07036	2.2
227.10663	2.3
229.08583	2.8
235.07500	2.2
237.08971	2.7
241.08473	7.8
243.10158	4.8
251.10535	2.3
253.08427	2.4
255.10184	2.8
257.08075	15.3
257.11774	2.8
259.09601	9.4
267.10114	4.0
273.11093	2.2
285.04837	1.6
285.11273	6.7
301.10745	8.4
303.12247	3.2
309.11124	1.8
319.12213	2.2
341.15366	2.5
347.16373	1.9
359.15729	1.7
367.13446	1.8
385.14133	2.2
401.16025	2.9
403.15231	5.2
413.14221	2.2
417.15521	6.5
419.14688	3.1
421.16522	2.3
433.16232	2.7
435.17758	2.1
445.16452	4.0
449.15851	2.5
451.17905	3.7
463.17508	17.9
469.18243	2.0
481.18353	11.3
499.19632	3.8
537.21234	3.5
547.19580	6.0
561.21173	3.8
567.22058	5.6
579.22229	15.8
597.23328	15.2
615.24414	2.3
619.77612	1.8
709.25726	2.3
727.27344	4.4
735.35388	2.4
745.27850	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	798.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
66.28257	0.8
67.05511	4.0
69.03424	1.6
71.05015	4.4
75.81117	0.9
79.05483	4.7
81.03436	4.4
81.07067	2.2
83.04984	2.6
91.05484	6.0
93.07046	2.9
95.01337	1.6
95.04972	11.1
95.08615	3.0
97.02908	1.4
98.21569	1.4
99.04469	3.6
103.05476	55.7
104.05814	0.9
105.07047	9.7
107.04991	2.7
109.06514	3.2
115.05449	4.1
117.07021	2.9
119.04958	1.6
119.08592	3.0
121.06516	2.7
123.04406	2.0
123.08048	1.2
125.06017	1.4
128.06253	2.2
129.07040	4.6
131.04936	100.0
131.08582	5.6
133.06505	9.6
133.10139	1.6
135.04436	1.4
135.08041	2.5
137.05992	1.3
141.07027	3.4
142.07776	3.7
143.08568	7.0
145.06573	4.2
145.10147	1.4
147.04414	0.9
147.08061	2.9
149.06030	1.9
151.07576	1.7
153.07019	1.5
154.07791	2.1
155.08525	3.2
155.38205	0.9
156.09370	4.2
157.06511	3.5
157.10130	4.2
158.07298	1.7
159.08125	5.4
159.11734	0.9
161.05994	21.6
161.09680	1.5
163.07541	5.8
165.06995	2.5
166.07793	1.2
167.08556	3.0
167.35988	0.9
168.09343	1.1
169.06558	3.6
169.10112	6.5
170.10927	0.9
171.08073	3.9
171.11717	4.3
172.08792	1.2
173.06024	2.4
173.09621	1.6
175.07588	1.3
177.09149	0.8
179.07036	2.5
179.08575	2.3
181.10193	2.2
182.07329	1.2
183.08058	5.2
183.11717	1.6
184.08838	3.4
185.09631	4.3
187.07579	3.7
187.11232	1.7
189.09151	1.8
191.06996	1.3
191.08644	1.0
192.09393	1.1
195.08052	1.9
195.11581	1.1
196.08849	1.2
197.05928	1.3
197.09654	7.5
198.10291	1.1
199.07558	3.2
199.11185	12.0
201.09084	2.3
203.06973	1.0
205.08598	1.4
207.08191	1.2
207.11745	1.1
208.08849	1.0
209.09691	1.9
209.13412	1.0
211.07558	3.1
211.11212	1.4
213.09120	5.6
213.12770	1.3
215.07019	2.1
215.10670	2.8
217.08540	1.4
217.10387	1.0
221.09648	1.0
223.07542	2.7
223.11139	1.1
225.05670	1.5
225.09120	12.9
227.06961	1.1
227.10652	2.0
229.08501	2.7
235.07610	1.5
235.11310	1.4
237.09117	1.1
239.10686	1.9
241.08524	6.3
243.10168	4.7
245.08060	1.5
247.09711	3.0
251.07114	1.7
251.10719	1.1
253.08554	1.1
255.10222	3.4
257.08075	12.2
257.11829	3.3
259.09470	5.2
265.12326	1.0
267.10223	2.0
271.09653	3.3
273.11206	1.3
279.10159	1.3
283.09460	1.2
285.11313	3.8
297.12399	1.2
301.10666	7.0
303.12369	3.8
309.11395	1.2
319.12027	0.9
327.12460	1.0
329.15179	1.2
339.13397	0.9
357.14749	2.0
359.16235	1.0
371.12488	1.1
373.13977	1.2
377.17435	1.9
385.14185	2.6
401.15851	1.9
403.15454	3.0
413.13885	1.1
417.15616	4.0
419.15451	1.5
421.16321	1.6
427.15396	1.4
431.14825	2.2
433.16211	1.2
445.16428	4.0
449.15942	2.6
451.17490	4.6
463.17636	11.4
481.18661	7.8
499.19669	2.4
531.19714	1.1
537.21332	2.2
543.19861	1.1
547.19672	3.9
549.20844	2.6
561.20941	2.2
567.22266	2.5
579.22278	8.5
597.23297	7.4
727.27496	2.8
735.32617	0.9
745.28455	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
63.95647	0.4
65.03944	0.6
67.05496	1.8
69.03417	0.8
77.03915	0.6
79.05489	2.7
81.03412	2.3
81.07045	1.0
85.02892	0.6
91.05492	3.5
93.07042	1.6
94.09557	0.4
95.01325	1.2
95.04973	7.8
95.08591	0.5
97.02893	0.5
103.05474	49.7
104.05804	1.5
105.04523	1.0
105.07033	9.6
107.04932	1.9
107.08577	0.8
109.06512	1.3
111.04468	0.5
115.05481	3.3
117.07020	2.5
119.04949	1.4
119.08593	1.3
121.02846	0.8
121.06522	2.0
123.04425	1.0
123.08078	1.0
125.06007	1.2
128.06219	2.2
129.07010	2.4
131.04933	100.0
131.08540	2.4
132.05267	3.4
133.05496	0.6
133.06496	10.7
135.04393	1.6
135.08064	2.0
137.06007	1.8
141.07037	2.4
141.07957	0.5
142.07765	1.4
143.08566	2.6
145.06477	3.9
145.10118	1.0
147.04457	0.7
147.08066	1.5
149.05981	1.4
149.09593	0.5
151.07564	0.9
152.06252	0.6
153.06949	1.0
154.07793	1.3
155.08560	2.5
156.09352	1.1
157.06538	1.7
157.10167	3.5
158.07242	0.6
159.08052	3.3
159.11710	0.8
161.05994	21.7
161.09622	1.2
162.06688	0.6
163.07515	3.9
165.05650	0.6
165.07002	1.9
166.07806	0.8
167.08575	1.7
169.06500	2.1
169.10144	3.0
170.07295	0.6
170.10909	0.6
171.08092	2.7
171.11662	1.5
172.08813	0.9
173.06029	2.7
173.09598	2.0
175.07567	1.3
177.05466	0.6
177.08939	0.5
178.07776	0.9
179.07024	1.5
179.08618	1.7
180.09396	0.6
181.06467	0.8
181.10132	1.4
182.07330	1.3
183.08040	3.9
183.11739	0.7
184.08804	1.7
185.05949	1.2
185.09647	3.5
186.06622	0.6
186.10362	0.6
187.07544	2.2
187.11179	1.3
189.05478	0.9
189.09142	1.3
191.08548	0.5
193.10019	1.1
195.08064	1.9
195.11739	0.7
196.08878	0.9
197.06012	1.8
197.09637	7.9
198.06708	0.6
198.10362	2.0
199.07533	3.0
199.11179	7.0
201.05511	0.5
201.09177	1.4
203.07047	0.7
203.10638	0.6
205.08569	1.2
207.08054	1.4
207.11749	0.7
208.08847	0.6
209.09665	1.7
211.07610	1.9
211.11235	1.4
213.05496	0.8
213.09108	5.7
213.12762	0.4
214.09877	1.1
215.07016	1.0
215.10660	3.1
217.08563	1.7
219.08177	1.0
221.09674	1.0
222.10333	0.6
223.07568	2.0
223.11241	1.8
224.08321	0.7
225.05600	1.0
225.09093	17.7
225.12550	0.7
226.09564	0.7
227.07028	1.3
227.10727	1.8
229.08504	1.0
229.12222	0.8
231.10135	1.0
233.08130	1.5
235.07552	1.0
235.11246	1.2
237.09129	1.1
239.06947	0.6
239.10744	1.6
241.08575	6.8
243.06502	1.1
243.10077	2.7
245.07939	0.8
247.09573	1.2
249.09044	1.0
251.07149	0.6
251.10710	1.0
253.08582	1.9
253.12433	0.7
255.10193	1.9
257.08063	10.1
257.11368	2.3
258.08603	0.6
259.09573	5.2
263.10706	0.9
265.08417	0.7
267.10037	2.6
269.08069	1.0
271.09390	0.9
273.11270	0.9
274.10040	0.6
279.10153	0.7
283.09549	0.8
284.11850	0.7
285.11179	6.0
287.11011	1.1
287.14047	0.8
289.12222	0.9
297.75214	0.5
299.10474	0.6
300.11725	0.7
301.10663	2.9
301.15939	0.5
303.12350	1.3
305.11996	0.7
307.09476	0.6
309.11411	0.7
313.12259	0.5
314.12897	0.8
315.13852	0.8
319.11694	3.1
327.13406	0.8
329.11591	0.5
329.15250	0.7
333.14948	0.6
339.13638	1.4
341.11444	0.8
343.13049	1.0
345.14685	1.0
357.14703	1.3
359.16537	2.3
367.13312	1.1
373.14459	1.1
375.15762	0.8
377.17407	2.9
378.74487	0.5
385.14319	2.9
387.14539	2.5
395.13083	0.7
395.18658	1.5
401.13959	0.9
403.14139	9.5
404.14709	0.7
405.15613	1.5
413.13892	0.9
415.15347	0.7
419.14832	1.3
421.15854	0.9
427.15356	0.8
431.14978	1.1
433.16473	1.1
435.18063	0.7
445.16592	2.4
449.15903	1.1
451.17471	3.0
463.17532	8.9
464.18118	0.7
481.18750	6.4
505.18549	2.5
519.20648	0.5
523.19678	0.9
529.18494	0.6
533.18011	1.1
535.19543	3.4
537.21344	2.0
547.19611	2.6
551.19220	1.0
553.20581	2.7
555.22467	1.2
565.20685	6.6
583.21777	19.7
597.22351	0.7
609.24725	0.5
611.21326	0.5
629.24768	0.5
653.23651	0.8
671.24707	1.0
695.24286	1.4
713.25903	7.5
714.25726	0.5
731.27087	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	797.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.8
59.04999	0.7
61.02928	6.5
65.23845	0.4
67.05510	7.0
69.03435	3.7
69.07074	1.4
69.48479	1.6
69.48889	0.6
71.05000	0.8
73.02924	5.0
79.05492	4.1
80.85148	0.3
81.03421	1.8
81.07057	5.9
81.71857	0.3
83.08633	0.5
85.02910	7.2
87.04466	0.5
91.03962	4.4
91.05481	2.5
93.07043	4.2
95.05014	0.4
95.08620	5.4
97.02896	5.6
97.06536	0.5
97.10188	0.5
99.04448	1.1
101.02387	2.1
103.03992	0.3
105.07046	1.1
107.08606	2.4
109.02925	1.0
109.10159	1.8
112.36256	0.3
115.03952	0.4
115.21387	0.4
117.07040	0.4
119.08598	1.5
121.10157	1.6
123.08194	0.3
123.11754	0.6
127.03951	1.1
131.08591	1.2
133.10184	0.9
135.11740	1.4
145.04962	0.4
145.10182	0.5
147.11734	0.5
149.13268	0.8
159.11681	0.5
173.13286	0.5
185.04266	0.9
203.05313	0.5
243.08340	1.9
287.41327	0.3
335.25851	1.0
519.29285	11.0
548.69879	0.3
663.33575	0.4
729.93799	0.5
797.51740	100.0
798.52026	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	797.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85192	0.5
66.63343	0.4
67.05496	2.0
69.03429	1.3
69.07026	0.5
69.19900	5.1
77.03931	0.6
79.05498	3.4
81.03410	0.6
81.07053	2.1
82.06583	2.0
83.01353	1.4
83.04974	1.4
91.05475	4.8
93.07056	3.1
95.04969	3.4
95.08617	1.0
97.06521	2.0
98.20799	1.3
100.07623	5.8
103.05473	43.8
104.05810	0.7
105.04503	0.6
105.07033	5.2
107.04947	2.2
107.08597	1.9
109.06516	1.7
111.04464	0.4
115.05460	1.3
117.07027	1.9
119.04948	0.6
119.08571	6.5
119.12237	0.5
121.06525	2.5
121.10139	1.7
123.04435	1.5
123.08061	1.0
125.06001	0.7
127.66164	0.5
128.06209	2.0
129.06999	3.4
130.07802	0.8
131.04933	100.0
131.08595	4.4
132.05280	1.8
133.06487	1.6
133.10118	2.6
135.08026	1.3
141.06985	2.0
142.07774	0.9
143.08562	4.6
145.06462	1.5
145.10124	2.3
146.06999	0.8
146.08134	15.1
147.08047	4.1
149.05981	2.0
149.09624	1.0
151.07603	0.7
153.05547	1.0
153.06889	0.8
154.07797	1.1
155.08545	2.4
156.09393	2.9
157.06508	0.8
157.10124	3.4
158.07288	0.9
159.04483	0.6
159.08075	4.6
159.11792	0.8
161.06035	1.4
161.09651	2.8
163.04012	0.6
165.07014	0.9
165.09184	0.7
166.07829	1.0
167.07173	0.9
167.08572	1.7
168.09332	1.5
169.06470	0.9
169.10126	3.5
170.07278	0.6
170.10970	0.6
171.08075	2.0
171.11713	5.0
172.08875	0.6
173.06062	0.6
173.09599	2.6
173.13264	0.6
174.10146	0.5
175.07578	1.0
177.05504	0.8
177.09064	1.4
179.07138	0.7
179.08592	1.7
180.09291	0.8
181.10150	2.6
182.10942	0.9
183.08084	2.2
183.11687	3.5
184.08844	1.8
185.09634	4.0
185.13322	0.8
187.07549	0.9
187.11159	0.7
189.09088	3.5
191.10609	0.8
192.09328	1.4
193.10107	2.9
194.10857	1.1
195.06509	1.4
195.08136	1.2
195.11746	2.0
196.08862	1.0
197.09630	6.7
197.13264	1.2
198.10312	0.7
199.07550	1.0
199.11192	7.3
200.11903	1.8
201.09161	1.7
201.12759	1.6
202.07901	0.7
203.06969	1.0
203.08655	0.8
204.09413	0.6
205.08618	2.0
205.10190	1.3
206.10887	1.7
207.10078	0.9
207.11725	3.3
208.12477	1.0
209.09618	4.3
209.13286	1.5
210.10379	1.4
211.07535	0.5
211.11140	3.5
213.09167	1.4
213.12752	1.1
215.10715	1.1
216.07758	0.8
217.00003	0.6
217.08522	5.9
217.10284	1.2
218.10931	0.5
219.08284	0.8
219.09891	0.8
219.11879	2.4
220.12424	1.8
221.09709	1.4
221.13362	2.5
222.14081	0.8
223.11197	1.7
223.14818	0.9
225.09154	1.6
227.10635	11.2
229.10176	1.3
229.12169	1.0
230.10983	1.1
231.10150	1.6
231.11972	1.4
232.12488	1.8
233.09586	1.3
233.11674	1.7
233.13371	1.5
234.13972	1.4
235.11305	1.1
235.14758	2.6
237.09123	1.5
237.12749	1.5
237.16281	0.8
238.09798	0.6
239.10750	1.7
239.14351	0.6
241.12276	1.6
243.10004	1.1
244.12543	2.1
245.09697	0.6
245.13330	2.3
246.10490	0.6
246.14063	0.9
247.11411	2.8
247.14867	2.3
248.11986	0.9
248.15591	0.8
249.12985	1.1
249.16367	3.1
250.13380	0.5
251.10712	1.4
251.14400	1.1
253.12239	1.4
255.10194	1.8
259.11133	0.8
259.14847	2.2
260.12262	0.7
260.15585	1.1
261.10965	7.1
261.16467	1.2
262.13681	1.4
263.10648	0.6
263.14374	3.5
265.12250	1.5
265.15930	1.6
267.17450	0.7
269.11722	2.6
271.13242	1.2
272.11960	1.1
273.12848	1.5
274.13406	0.8
275.10782	1.1
275.14371	2.8
276.11337	0.7
276.15015	0.7
277.15878	6.2
278.16675	1.2
279.13998	0.9
279.17303	0.7
287.12411	8.0
289.12399	0.8
289.15787	1.6
290.12952	1.2
291.13846	1.2
293.15222	0.8
295.16922	1.5
303.13806	1.8
304.14627	0.7
305.15533	6.4
307.13315	0.8
307.16904	1.2
315.13712	1.7
317.15271	0.7
319.16882	1.0
321.14822	1.7
323.16614	4.7
325.14587	0.6
329.15240	0.5
331.13394	0.7
331.16949	0.6
333.14899	4.0
335.16360	1.6
337.18011	2.1
347.16354	2.3
351.15973	3.1
353.17264	0.6
355.19012	1.5
359.16373	1.2
363.15781	0.6
364.16940	0.7
365.17465	9.1
371.14935	0.8
373.14386	0.6
375.15503	0.7
381.17480	0.8
383.18597	3.6
387.15823	1.5
403.14883	0.6
405.16989	2.0
409.16489	0.7
415.15179	0.6
421.16553	1.5
423.18039	1.2
433.16492	2.2
435.18240	0.8
437.19470	1.0
447.18222	2.3
451.17764	1.0
453.18723	0.8
454.72617	0.5
465.19135	9.4
465.25153	0.4
483.20273	2.7
501.20801	0.6
513.22766	1.0
613.24213	1.6
797.45581	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.6811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	1.3
57.07070	1.6
59.04994	1.5
62.49297	1.2
67.05511	10.3
69.07076	8.1
69.51073	8.3
71.08637	6.3
72.04522	9.9
79.05489	4.2
81.07059	18.7
83.08623	4.3
91.05491	5.2
93.07056	9.6
95.08613	21.9
97.06526	1.6
97.10141	2.4
99.08099	5.3
105.07028	12.7
107.08591	13.6
109.06516	1.8
109.10167	21.2
111.11717	1.7
119.08605	12.7
121.10169	12.8
123.08021	1.5
123.11681	10.6
127.11118	1.3
128.10785	1.5
131.08618	1.4
133.10114	9.0
134.11411	1.1
135.11702	10.2
137.13284	2.0
145.02817	2.0
145.10138	2.3
147.11696	23.3
149.13260	6.5
151.14836	1.2
159.11717	4.0
161.13281	8.2
163.14812	4.3
165.12766	3.7
173.13200	2.3
175.14839	3.4
175.45407	1.3
177.05461	3.9
177.16386	1.8
179.14333	1.8
189.16405	9.4
191.17975	3.3
201.16422	2.1
203.17984	12.6
205.19559	2.3
207.17438	10.4
215.17981	2.2
217.19534	9.3
221.19034	1.9
229.19669	1.6
238.21683	10.0
245.22752	1.4
247.20650	1.8
257.22766	1.7
271.24243	2.8
283.24155	1.9
285.25906	1.6
291.23190	5.3
336.28989	100.0
369.31531	2.8
407.36984	7.2
425.37830	24.9
443.38904	13.8
459.22247	1.8
505.38907	1.4
533.37885	1.2
581.26929	1.2
792.48029	1.4
796.29291	2.1
796.48871	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75234	0.9
67.05511	1.1
71.56049	1.5
73.84435	1.1
79.05499	1.4
85.02953	0.9
87.04465	3.0
87.54865	0.8
91.05455	1.1
95.08559	1.1
103.05505	2.2
105.07055	1.1
122.86629	1.0
131.04922	5.8
134.76779	0.9
154.03293	0.9
162.07779	0.8
286.79529	1.0
687.75348	1.1
691.40332	3.1
795.42926	100.0
796.43005	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	795.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.5
61.02925	2.4
64.03162	2.2
65.03931	2.5
67.05515	11.3
68.26212	2.1
69.03421	6.2
69.47631	15.9
71.01337	2.4
73.02896	2.4
73.22863	2.3
78.92150	2.2
79.05509	18.4
81.03430	13.6
81.07051	10.0
83.04989	5.5
85.02908	5.1
91.05481	31.4
93.07043	13.3
95.01314	4.0
95.04979	23.8
95.08585	6.7
97.02876	7.2
97.06518	2.5
101.07857	2.4
103.05470	21.0
105.06382	3.7
105.07040	47.7
107.04944	8.6
107.08600	7.5
109.06535	12.6
109.10187	3.5
111.04480	4.1
115.05440	14.6
117.07022	12.1
119.04934	6.3
119.08614	12.9
121.06509	17.6
121.10128	5.6
123.04413	3.5
123.08113	3.8
125.06009	4.6
128.06248	16.2
129.07008	18.5
129.92628	2.1
130.07832	2.5
131.04935	24.4
131.08566	19.7
133.05609	3.4
133.06509	40.6
133.10147	6.1
135.04425	5.5
135.08026	9.6
137.05969	6.8
139.03833	2.7
141.07042	12.1
142.07758	14.7
143.08566	34.9
145.06517	19.6
145.10138	7.5
147.04443	4.1
147.08044	11.7
149.02362	2.5
149.05975	8.2
151.07518	4.2
152.06171	3.5
153.05559	2.9
153.07079	4.7
154.07765	8.7
155.08562	14.3
156.09332	26.4
157.06470	6.0
157.10158	20.2
158.07257	6.7
159.08069	19.5
159.11720	6.4
161.04659	3.2
161.05994	58.5
161.09648	4.2
163.07542	13.7
165.05597	4.1
165.06992	13.5
166.07790	13.7
167.08583	7.8
168.09323	3.5
169.06490	12.5
169.10124	26.8
170.07263	4.3
170.10954	3.9
171.08076	13.4
171.11700	20.0
172.08821	3.7
173.05957	3.6
173.09616	8.0
173.13232	3.9
175.07562	6.1
177.05479	4.5
177.09171	3.0
178.07764	4.0
179.07016	7.7
179.08575	14.0
180.09299	3.8
181.06512	4.5
181.10132	28.4
182.07318	3.0
183.08078	14.9
183.11681	8.4
184.08818	22.2
185.05965	4.7
185.09608	17.1
187.07603	10.5
187.11206	8.7
189.09106	8.3
190.07785	2.5
191.08598	2.4
192.09343	3.4
193.05019	2.8
193.10159	6.9
195.08054	9.1
195.11667	5.6
196.08833	6.6
197.06001	3.1
197.09634	37.0
197.13309	3.2
198.10461	5.0
199.07480	6.5
199.11205	100.0
201.09154	9.3
201.12784	3.6
203.06982	4.7
203.08679	3.9
204.09386	3.7
205.08487	4.5
205.10146	5.8
207.08057	6.8
207.11702	5.1
208.09016	3.1
209.09654	12.4
211.07539	10.0
211.11171	9.9
213.09125	20.4
213.12625	4.6
215.08644	5.8
215.10693	13.6
216.09351	2.9
217.08493	10.8
217.12296	7.3
218.10764	2.9
219.11748	3.3
221.09634	6.1
223.07533	9.3
223.11151	10.2
224.08301	6.2
225.09109	46.4
225.12675	4.6
226.09599	2.8
227.07013	4.4
227.10649	14.6
229.08589	6.4
229.12430	2.8
230.11038	3.6
231.11855	4.3
232.12469	3.2
233.09619	7.3
233.13466	2.7
235.07520	5.3
235.11255	5.0
235.14807	3.1
237.09045	9.7
237.12857	3.8
239.10620	8.3
241.08499	10.4
241.12268	4.0
243.10170	17.3
244.12502	2.6
245.07864	2.6
245.13179	3.9
247.09541	6.7
249.09093	10.0
249.12794	4.8
251.10681	7.7
253.08487	5.4
253.12270	7.4
255.10127	14.4
257.11731	9.0
259.11194	3.5
259.14694	2.7
260.12146	2.7
261.09219	4.7
263.10703	2.9
265.59607	2.4
267.10101	11.2
271.09634	17.1
273.13086	3.1
279.10162	4.4
281.11865	5.5
285.10995	16.0
289.15747	3.3
291.10098	3.0
291.13385	2.6
298.13419	2.7
301.11301	2.4
301.15845	3.6
303.12369	15.1
303.17139	3.6
309.11234	7.0
311.14185	2.2
313.12234	4.2
315.13785	3.8
317.15256	4.4
327.13287	3.3
329.15277	6.2
331.16928	5.1
333.14630	3.8
343.13385	3.9
345.14740	3.9
355.13123	4.1
357.14703	6.9
359.16412	10.0
365.17633	2.7
373.14334	10.4
377.17606	14.4
385.14380	9.0
387.15894	3.1
391.15244	4.1
393.16986	2.5
395.18433	8.9
401.13678	6.1
403.15408	13.8
405.16901	7.8
413.13660	6.7
415.15329	3.2
417.16565	3.3
419.14746	7.4
421.16226	8.2
431.15002	7.3
433.16409	12.4
435.18069	3.7
439.40112	2.3
445.16281	5.4
449.15994	8.2
451.17462	9.1
463.17578	32.6
469.18475	11.0
481.18628	26.8
499.19412	7.6
565.58209	2.7
581.21667	19.7
699.85590	3.0
759.27393	11.0
764.28754	3.1
777.28662	6.0
795.41675	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56537	0.4
61.02926	0.6
67.05508	2.0
69.07054	0.5
71.56078	0.4
73.02896	0.4
77.03904	0.8
79.05482	2.5
79.87466	0.4
81.03415	1.5
81.07048	1.2
83.04987	0.7
85.02874	0.8
91.05474	4.7
93.07039	2.7
95.04954	4.0
95.08598	0.8
97.02882	0.7
97.06499	0.7
103.05464	46.7
104.05799	0.8
105.03382	0.6
105.04537	1.2
105.07024	4.5
107.04942	0.8
107.08599	0.9
109.02821	0.6
109.06514	0.7
109.10133	0.4
115.05431	2.0
117.03391	0.7
117.07005	1.8
119.04911	1.1
119.08556	2.5
121.02897	0.6
121.06485	2.0
123.04403	0.6
123.08039	0.5
128.06232	1.9
129.06981	2.6
131.04922	100.0
131.08553	5.0
132.05258	1.5
133.06471	3.2
133.10088	1.0
134.07260	0.5
135.08049	1.3
139.03874	0.8
141.06975	1.9
142.07774	1.7
143.08546	2.8
144.05647	0.5
144.07915	0.5
145.02869	0.9
145.06482	3.1
145.10109	0.7
147.04485	0.6
147.08014	2.4
149.06041	1.0
152.06226	0.6
153.07050	0.8
155.08534	1.8
156.09367	1.7
157.06479	1.0
157.10146	2.0
159.04399	0.6
159.08047	4.4
159.11719	0.5
161.05971	2.4
161.09633	0.9
163.07558	1.3
165.07040	1.0
166.07832	0.7
167.08578	1.4
169.06454	1.6
169.10149	2.3
171.08066	1.6
171.11694	1.3
173.06021	0.8
173.09590	1.3
175.07535	1.3
177.05450	2.2
177.09125	0.6
178.07799	0.6
179.07024	0.6
179.08546	1.4
181.06499	0.9
181.10074	1.1
183.08009	1.1
183.11671	1.2
184.08861	0.4
185.09671	1.0
187.07576	2.6
187.11221	0.6
189.05428	0.8
189.07120	0.4
189.09042	1.0
191.08597	0.6
192.09331	0.9
193.08546	0.5
193.10153	1.3
194.10960	0.5
195.11725	1.0
197.06012	0.5
197.09586	2.3
198.10461	0.5
199.07491	1.1
199.11201	2.8
201.09087	0.8
203.07019	1.6
203.08604	1.0
205.08501	0.7
205.10138	1.4
206.10931	0.9
207.09933	0.6
207.11717	1.0
208.08791	0.5
208.12624	0.5
209.09628	0.9
211.07552	0.5
211.11259	0.5
213.09102	0.9
213.12840	0.5
215.06844	0.5
215.08656	1.1
215.10603	1.0
216.09351	0.8
217.08403	3.2
217.10248	1.4
218.10912	1.6
219.08116	0.9
219.10048	1.1
219.11697	1.5
220.12505	0.8
221.09738	0.8
222.13980	0.5
223.11151	0.7
225.09177	2.3
227.10825	0.5
229.08324	1.0
229.10190	1.7
229.12134	0.5
230.10983	1.3
231.11678	1.9
232.12518	0.8
233.08089	1.3
233.13277	1.7
235.07529	0.5
235.09451	0.8
235.14842	1.0
239.10709	0.7
242.10960	0.7
243.11726	1.5
244.12511	1.1
245.09790	1.0
245.13292	1.5
246.10437	0.6
246.13950	0.7
247.09520	5.8
247.14832	1.5
249.16394	0.7
257.07895	0.6
257.13510	0.5
258.10440	0.6
259.11288	1.2
259.14920	0.9
261.12753	1.4
263.10974	0.5
263.14117	0.7
267.11621	0.6
268.69266	0.5
269.13412	1.0
271.11179	0.9
273.12692	1.6
275.10861	0.6
275.14304	1.8
276.14865	0.5
277.15839	0.8
283.11203	0.9
284.11874	0.4
285.12720	0.9
287.10535	0.6
287.13959	0.6
289.12357	0.8
291.13779	0.7
298.13354	0.5
299.14496	0.5
301.12119	0.8
301.15689	0.9
302.12994	0.5
303.13647	0.5
305.15399	0.5
311.14404	0.8
313.12488	0.5
315.13907	0.8
317.15308	0.8
321.14948	0.5
325.12305	0.5
327.13953	0.9
329.15414	0.9
331.17010	0.8
333.14911	1.1
335.16541	0.6
341.15164	0.6
345.14948	0.8
347.16367	0.8
349.14432	0.7
351.16129	0.5
355.13495	1.0
357.14838	1.1
359.16388	0.9
363.15735	1.0
373.14154	1.0
375.15775	0.7
377.17673	0.7
379.15509	0.5
381.16904	1.3
385.14459	1.1
387.16092	0.5
391.15588	0.7
395.14841	1.8
401.13922	0.9
403.15234	1.1
405.16928	0.5
413.13995	0.6
417.16953	0.8
421.16132	0.9
431.14435	0.6
433.16650	1.3
435.18207	1.0
445.16544	1.7
451.18130	0.8
463.17465	3.6
481.18570	2.1
499.19943	1.2
543.19989	0.8
608.28955	0.5
611.22632	1.3
619.30341	0.9
629.23627	0.8
684.15668	0.5
759.28290	0.5
777.28308	0.5
795.41211	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	795.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.3
67.05493	0.8
69.03435	0.5
77.03930	0.7
79.05500	1.3
81.03424	1.3
81.07027	0.3
83.01332	0.3
91.05479	2.6
93.07056	0.9
95.01325	0.5
95.04967	4.5
95.08604	0.3
98.55936	0.2
102.04700	0.6
103.05470	57.9
104.05806	0.4
105.04519	1.2
105.07037	4.1
107.04964	1.0
109.06522	0.8
111.04411	0.3
115.05436	1.5
117.07029	1.4
119.04954	0.7
119.08575	1.0
121.02851	0.3
121.06535	1.1
123.04443	0.5
125.05982	0.7
128.06229	1.7
129.06998	1.7
131.04930	100.0
131.08560	1.3
132.05275	1.3
133.06496	4.5
133.10088	0.5
135.04370	0.5
135.08046	1.0
135.92888	0.3
137.06015	0.8
141.07001	0.9
142.07773	1.3
143.08560	3.2
144.08105	0.3
145.06497	1.7
145.10132	0.6
147.08066	0.9
149.06004	0.7
151.92944	0.3
153.07019	0.7
154.07777	0.9
155.08524	1.6
156.09346	2.0
157.06516	0.8
157.10117	1.7
158.07230	0.7
159.08040	1.8
159.11711	0.4
161.05994	8.3
161.09575	0.6
163.07533	2.0
165.05475	0.3
165.06984	0.7
166.07828	0.7
167.08598	0.8
168.09360	0.5
169.06467	1.6
169.10170	2.3
170.07269	0.3
170.10944	0.5
171.08084	1.6
171.11694	2.2
172.08835	0.7
173.06024	0.9
173.09608	0.8
173.13271	0.3
175.07576	0.8
177.09140	0.5
178.07840	0.3
179.07024	0.8
179.08578	1.1
180.09338	0.4
181.04892	0.3
181.06438	0.4
181.10103	1.4
182.07263	0.4
183.08101	2.2
183.11635	0.7
184.08861	1.5
185.06030	0.4
185.09590	2.0
187.07532	1.2
187.11182	0.8
189.05380	0.4
189.09045	0.5
191.08566	0.5
192.09479	0.3
193.10110	1.0
195.08055	0.8
195.11603	0.5
196.08742	0.6
197.05893	0.3
197.09660	3.6
198.10350	0.7
199.07538	1.1
199.11179	8.1
201.09138	0.8
203.07011	0.4
205.08633	0.8
207.08060	0.6
207.11760	0.5
208.08755	0.3
209.09601	0.9
211.07561	0.8
211.11191	0.8
212.08304	0.3
213.09100	2.5
215.06972	0.6
215.10545	1.3
216.09370	0.3
217.08516	0.6
217.10353	0.3
217.12262	0.3
219.11752	0.4
221.09584	0.4
223.07529	0.6
223.11177	1.0
225.05563	0.5
225.09102	5.1
227.06982	0.4
227.10681	0.8
229.08560	0.7
229.12152	0.5
233.07957	0.5
235.07524	0.4
235.11285	0.5
237.09140	0.6
237.12711	0.4
239.10661	0.9
241.08556	2.3
241.12259	0.4
243.09900	1.6
245.08009	0.5
247.09500	0.5
247.14764	0.3
249.09161	0.5
251.10641	0.6
253.08466	0.5
253.12277	0.4
255.07907	0.3
255.10172	1.1
257.07990	4.5
257.11752	1.0
259.09512	2.4
260.11957	0.4
263.10809	0.4
265.08484	0.4
267.10123	1.5
269.07867	0.5
271.09445	1.2
272.11905	0.4
273.11047	0.4
275.12888	0.3
281.11810	0.4
283.09567	0.7
285.11005	1.9
289.12326	0.3
297.10922	0.3
301.10513	3.1
301.15787	0.3
303.12253	1.6
305.15442	0.5
307.09555	0.3
309.11029	0.4
313.12097	0.3
315.13702	0.5
319.11911	0.5
329.15204	0.7
331.16895	0.6
333.18539	0.3
339.13406	0.3
341.15237	0.5
343.13376	0.7
345.14862	0.3
347.16388	0.5
349.17822	0.6
357.14682	1.0
359.16183	0.7
361.14313	0.5
373.14249	0.9
375.15527	0.9
377.17691	1.3
383.12729	0.3
385.14081	1.4
386.15005	0.3
389.13913	0.3
391.15341	0.6
393.17331	0.3
395.18454	0.8
401.13641	0.5
403.15186	1.5
405.16946	0.4
413.13724	0.4
417.16806	0.7
419.14816	0.6
421.16464	0.7
431.14780	1.5
433.16537	3.2
435.17926	0.4
445.16418	0.8
449.16003	1.8
451.17575	1.6
463.17557	5.2
469.17938	0.4
481.18509	3.0
499.19440	0.8
517.19507	0.3
581.21271	0.5
593.21338	0.7
599.22772	0.5
611.22888	2.1
629.23987	2.5
647.24298	0.7
759.26556	0.3
777.27979	0.4
795.43878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.4
67.05495	0.8
69.03445	0.4
70.14335	1.7
70.14674	0.5
77.03925	1.1
78.82697	0.4
79.05506	1.7
81.03419	1.5
81.07038	0.4
83.37498	0.3
91.05476	2.8
93.07047	1.1
95.04977	5.8
95.08630	0.7
97.02898	0.7
97.23766	0.4
102.04697	0.8
103.05473	52.2
105.04523	0.9
105.07038	4.4
107.04961	0.9
107.08580	0.5
108.69473	0.4
109.06540	1.0
115.05462	1.5
117.07059	1.2
119.04948	0.9
119.08575	0.9
119.18414	0.5
121.06498	1.1
123.04472	0.5
125.05993	1.1
128.06213	1.2
129.06992	1.7
130.07729	0.5
131.04933	100.0
131.08557	1.3
132.05316	1.2
133.06494	6.0
133.10175	0.4
135.04399	1.1
135.08086	1.1
137.05977	1.3
141.06960	1.1
142.07784	1.4
143.08565	2.6
144.08122	0.6
145.06497	2.2
145.10133	0.9
147.08032	0.9
149.06006	1.1
151.07582	0.6
154.07785	1.0
155.08540	1.1
156.09363	1.8
157.06477	0.8
157.10135	1.9
158.07324	1.1
159.08105	1.8
159.11665	0.8
161.05994	10.8
163.07570	2.2
165.05618	0.4
165.07019	1.0
166.07742	0.5
167.08527	1.3
169.06487	1.5
169.10126	3.0
170.07237	0.6
170.10793	0.6
171.08023	1.5
171.11691	2.8
172.08861	0.7
173.05977	0.9
173.09695	0.6
175.07567	0.6
178.07896	0.6
179.07042	0.9
179.08537	0.8
181.10118	1.1
182.07240	0.6
183.08086	2.0
183.11761	0.5
184.08792	1.5
185.09659	2.0
187.07587	1.3
187.11162	1.1
189.09114	0.7
193.10104	0.7
195.08078	0.9
196.08821	0.7
197.05974	0.6
197.09631	4.1
198.10350	0.6
199.07539	1.3
199.11203	6.7
201.09105	1.0
205.08580	0.5
205.10420	0.4
207.08131	0.9
207.11781	0.6
209.09679	1.2
211.07512	1.5
211.11186	0.5
213.09105	2.8
215.06993	0.5
215.10721	1.6
217.08534	0.5
223.07535	1.4
223.11195	1.1
225.05524	0.6
225.09100	5.8
225.12593	0.5
227.10605	0.9
231.06415	0.5
231.11836	0.6
233.09734	0.8
235.11279	0.5
237.09215	1.0
239.10637	0.9
241.08511	2.9
243.10072	2.3
245.08057	0.6
247.11380	0.5
249.09242	0.6
251.10844	0.5
253.08530	1.0
253.53293	0.4
255.10156	1.3
257.08066	5.7
257.11691	1.1
259.09531	3.1
263.10657	0.6
267.10193	1.6
269.08212	0.4
271.09619	0.8
279.10132	0.6
283.09619	0.9
285.11099	2.5
299.10638	0.7
301.10669	2.6
303.12408	1.5
308.10547	0.4
313.12027	0.5
315.13922	0.5
327.12711	0.5
331.16986	0.8
347.12738	0.5
357.14752	1.4
359.16232	0.8
367.13309	0.6
373.14160	0.6
375.15967	0.6
377.17480	1.3
385.14120	1.0
391.14798	0.8
395.18628	0.6
403.15240	1.5
405.16974	0.5
413.13547	0.6
417.16800	0.7
419.14838	1.0
421.16357	1.4
431.14786	0.8
433.16544	2.4
435.18082	0.8
445.16614	1.8
449.15863	2.1
451.17706	2.6
463.17529	6.8
469.18521	0.4
481.18668	3.0
581.21277	0.6
593.20935	0.9
599.22491	1.4
611.22705	4.0
629.23914	4.4
647.24811	0.6
686.40479	0.5
717.26074	0.5
747.40845	0.4
795.44208	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
61.02932	0.2
67.05514	0.6
69.03428	0.4
77.03899	1.1
79.05485	1.2
81.03421	1.3
81.07066	0.5
83.04996	0.3
85.02917	0.3
85.81387	0.2
91.05495	1.9
93.07056	1.1
95.01363	0.2
95.04974	4.5
95.08604	0.5
97.02924	0.5
97.06532	0.3
102.04682	0.8
103.05473	56.9
104.05816	0.6
105.04533	1.0
105.07037	3.2
107.04955	0.7
107.08603	0.4
109.06536	0.6
111.04436	0.3
114.26801	0.2
115.05464	0.9
117.07028	1.0
119.04967	0.3
119.08598	0.8
121.02879	0.3
121.06493	0.7
123.04443	0.3
125.06015	0.5
128.06253	0.8
129.07018	1.1
130.07776	0.3
131.04935	100.0
131.08575	1.2
132.05237	1.0
133.06499	3.6
133.10089	0.4
135.04427	0.5
135.08084	0.8
137.06018	0.5
141.07002	1.0
142.07785	0.8
143.08575	1.7
144.08173	0.4
144.09351	0.3
145.06508	1.5
145.10129	0.4
147.08051	0.7
149.06023	0.6
149.09598	0.2
151.07581	0.4
152.06160	0.2
152.56615	0.2
153.07033	0.4
154.07791	0.7
155.08598	0.8
156.09338	1.5
157.06529	0.5
157.10135	1.2
158.07286	0.3
159.08058	1.3
159.11719	0.5
161.05994	6.2
161.09621	0.3
163.07579	1.4
165.05667	0.4
165.07045	0.7
166.07756	0.2
167.08592	0.5
169.06526	0.9
169.10130	1.6
170.07251	0.3
170.10843	0.3
171.08070	1.1
171.11688	2.3
172.08830	0.3
173.06038	0.6
173.09592	0.5
173.13280	0.3
175.07516	0.5
177.05530	0.2
177.09015	0.3
179.07047	0.5
179.08606	0.6
180.09256	0.3
181.06552	0.3
181.10089	0.5
182.07237	0.3
183.08101	0.9
183.11761	0.3
184.08871	1.1
185.06046	0.4
185.09567	1.5
187.07533	1.3
187.11211	0.6
189.05412	0.3
189.09120	0.6
192.09421	0.3
193.10161	0.6
195.08063	0.6
195.11681	0.6
197.05940	0.3
197.09634	2.3
198.10339	0.3
199.07610	1.1
199.11186	5.3
201.09096	0.9
201.12811	0.3
203.06929	0.3
205.08652	0.5
206.10915	0.2
207.08078	0.6
207.11739	0.4
209.09604	0.7
209.13148	0.3
211.07736	0.4
211.11197	0.6
213.09097	1.7
215.06956	0.3
215.10567	1.0
217.08516	0.5
217.10332	0.4
217.12175	0.3
223.07591	0.5
223.11246	0.5
225.05632	0.4
225.09119	3.3
227.07083	0.4
227.10684	0.7
229.08458	0.3
235.07607	0.3
236.08337	0.2
237.09102	0.5
239.10727	0.6
241.08548	2.0
243.10196	0.8
244.12553	0.2
245.07970	0.4
246.08788	0.4
247.09691	0.6
249.09151	0.5
251.10706	0.4
253.08705	0.6
255.10188	0.8
257.08023	3.8
257.11743	0.7
259.09564	2.3
259.15134	0.2
267.10245	0.5
271.09708	0.8
273.11105	0.2
273.55594	0.2
275.14484	0.3
279.10205	0.3
283.09567	0.5
283.15100	0.3
285.11215	1.3
287.14157	0.3
301.10641	2.1
303.12360	1.1
309.11316	0.3
313.11423	0.2
315.13873	0.3
319.11829	0.3
325.10712	0.3
329.15417	0.4
331.16818	0.4
339.13000	0.3
341.11093	0.3
341.15320	0.3
347.16431	0.4
355.13568	0.2
357.14740	0.6
359.16422	0.3
373.14352	0.5
375.15778	0.4
377.17477	0.9
381.86005	0.2
385.14273	0.5
391.15341	0.4
395.18561	0.7
401.13708	0.4
403.15445	1.4
405.16995	0.4
413.13586	0.5
417.16745	0.3
419.14935	0.9
421.16412	0.9
431.14941	0.8
433.16516	2.3
435.18088	0.5
437.15973	0.3
445.16412	1.2
446.16916	0.2
449.15979	1.9
451.17688	1.1
453.19302	0.2
463.17554	4.3
467.16846	0.2
469.18375	0.6
481.18646	2.3
499.19580	0.6
501.23212	0.5
535.28918	0.3
581.21826	0.3
593.21350	0.8
599.22638	0.3
611.22607	1.4
620.62750	0.2
629.23779	1.9
647.24872	0.7
795.45148	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	792.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
55.05511	15.4
57.03442	8.7
57.07074	2.7
61.02914	3.2
65.03952	2.6
67.05503	61.4
69.03425	0.8
69.07068	14.7
69.19286	5.8
71.04974	1.8
71.08610	0.7
73.02905	1.2
77.03942	0.7
79.05492	34.2
81.07055	51.6
82.14679	0.6
83.04953	1.4
83.08614	6.2
85.02895	2.8
85.06539	0.9
91.03938	1.2
91.04896	0.8
91.05479	21.2
93.07042	43.2
95.04958	2.1
95.08607	44.9
96.08949	0.5
97.02856	1.7
97.06562	3.0
97.10160	3.7
98.21542	1.3
99.08118	0.7
105.04494	1.0
105.07030	16.4
107.08593	23.9
109.06490	1.6
109.10154	22.3
110.54690	0.5
111.08064	1.8
111.11692	0.5
115.05451	0.7
117.07010	6.6
119.08579	13.1
121.10140	20.4
123.07957	0.7
123.11710	8.6
125.09633	0.9
129.07001	1.7
130.07779	0.7
131.08563	12.9
133.10130	12.8
135.11690	12.7
137.09616	1.2
137.13239	2.3
139.11111	0.8
143.08553	1.4
145.10117	8.6
147.11682	9.9
149.13249	8.8
151.11118	0.7
151.14838	0.6
153.12756	0.5
157.10118	1.3
159.11691	7.4
161.13264	7.7
163.11192	0.6
163.14818	5.6
171.11702	2.2
173.13274	7.2
175.14796	3.7
177.16426	1.7
185.13222	1.9
187.14795	3.5
189.16367	1.2
193.15997	0.6
199.14842	0.7
201.16374	1.3
203.14064	0.6
212.90399	0.5
213.16460	0.8
215.18031	0.8
217.19453	1.0
231.17552	0.6
231.21069	1.0
233.22560	0.8
241.19511	3.1
243.21098	5.8
245.22530	0.9
259.20581	7.2
261.22153	17.6
263.23700	1.7
275.23593	0.7
279.23218	0.6
287.23685	0.7
299.23590	0.7
315.22891	0.6
317.24677	3.6
323.26007	0.7
333.24289	6.0
335.25784	100.0
336.26093	2.2
337.27390	10.4
389.30389	0.5
521.43414	2.0
539.44354	1.1
543.40741	1.0
595.47260	13.9
613.48230	12.5
629.43732	0.6
650.68152	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	16.5
56.05047	4.3
58.06604	23.8
59.03753	2.2
60.04521	2.1
62.06080	1.6
67.05489	2.6
68.05042	5.8
69.03431	3.3
69.07088	1.5
69.87787	1.5
69.88189	2.2
70.06589	1.7
72.04520	28.8
74.06075	4.2
79.05484	3.3
81.03438	1.6
81.07066	6.6
83.04987	32.4
84.04516	1.2
84.08148	2.3
85.02906	1.1
86.06074	61.2
87.04469	1.3
91.05499	5.1
93.07050	4.9
95.04988	1.7
95.08614	3.9
96.04495	5.4
97.06511	1.4
98.06073	1.1
100.03960	2.8
100.07585	1.4
103.05515	1.0
103.06335	2.6
104.07113	100.0
105.06978	4.8
107.04998	1.6
107.08581	3.9
109.06511	2.8
109.10134	1.6
114.05537	51.1
116.07088	1.6
117.07027	2.1
119.08581	5.5
121.06484	1.1
121.10136	3.1
124.03969	0.9
126.05528	1.4
127.07578	5.7
128.06236	1.1
129.07016	1.7
130.05023	1.2
131.04924	1.1
131.08572	3.8
132.06572	46.3
133.06482	2.0
133.10139	4.8
135.08035	1.3
136.06223	4.1
137.05984	2.5
141.06978	1.2
142.05009	40.8
142.07811	2.7
143.08559	3.8
144.06552	3.2
145.06512	1.4
145.10115	5.1
147.04276	1.0
147.08047	3.1
149.05988	1.5
149.09628	3.6
151.07570	1.2
152.05682	1.2
155.08563	2.2
156.09344	2.4
157.10147	7.0
159.08078	3.0
159.11717	4.0
159.60374	1.0
160.06064	37.3
161.06036	1.7
161.09631	2.7
162.09132	2.0
163.07578	1.1
163.11153	1.4
164.10681	1.3
165.09135	1.2
167.08534	1.6
169.10136	4.0
170.10878	2.4
171.08049	3.3
171.11691	13.6
173.09651	3.3
173.13316	1.1
175.07570	1.1
175.11166	1.8
176.10675	1.3
180.10211	2.6
181.10176	1.0
183.08194	1.1
183.11679	8.4
184.07442	1.1
185.09680	2.4
185.13239	10.6
187.07457	1.1
187.11165	1.8
193.10146	1.4
195.11743	3.3
197.09639	2.6
197.13237	2.5
199.11269	5.0
199.12857	1.1
201.09084	1.3
203.10640	1.1
207.11678	2.4
209.13292	2.5
211.11208	2.6
213.12758	11.0
215.10744	1.0
219.11777	1.4
221.13380	1.6
223.11226	1.6
223.14853	1.8
225.12744	1.1
229.10210	1.2
229.12303	1.8
231.11787	2.0
231.13805	1.9
232.09874	0.9
232.12535	0.9
233.13371	1.4
235.14841	2.1
237.12881	0.9
241.12321	1.5
243.13911	2.3
244.12364	1.1
245.13297	1.8
245.15381	6.7
246.14090	2.5
247.14845	2.3
249.16455	2.2
251.18004	2.7
257.11649	1.6
261.16556	4.5
263.14224	1.2
263.17914	1.6
265.19550	1.4
267.16223	0.9
273.14706	4.8
274.13580	0.9
275.14514	1.2
275.17929	3.4
279.17505	2.9
289.15778	1.5
291.17352	1.8
293.15695	1.0
293.19031	3.3
303.17487	3.0
319.16974	1.0
321.18362	3.6
323.20184	1.3
325.21652	4.8
335.20032	3.5
343.16992	1.1
353.21082	11.2
363.19446	1.4
391.19202	1.1
405.20590	1.3
409.20212	1.5
413.23190	4.6
572.27704	0.9
600.28772	0.9
614.28955	1.1
632.31439	1.2
672.33331	2.2
673.34210	2.6
678.11218	0.9
686.35101	4.0
696.34167	5.7
714.34906	23.3
732.35803	11.4
733.35272	1.6
792.39343	2.3
799.28247	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.9
55.05267	2.1
55.05515	29.5
57.03442	16.9
57.07072	3.7
59.05007	44.4
61.02923	3.0
64.58092	1.1
65.03924	4.1
67.05509	100.0
69.03438	5.9
69.07072	15.6
71.04996	9.9
71.55352	2.1
79.05069	2.5
79.05500	39.9
81.03427	6.9
81.07064	53.5
83.04975	3.8
83.08633	14.6
85.02920	6.7
85.06554	3.7
87.04474	62.2
89.06020	2.4
91.05482	22.3
93.07053	39.8
95.04967	5.1
95.08617	36.3
97.02900	4.4
97.06540	4.7
97.10174	11.1
99.04459	9.9
99.08108	2.3
105.07041	16.1
107.04936	2.2
107.08593	23.7
109.02879	1.4
109.06502	2.0
109.10163	61.2
111.08083	3.8
115.03928	1.4
115.58966	1.3
117.07025	6.7
119.04969	1.5
119.08585	14.4
121.06523	1.6
121.10159	22.0
123.08061	1.8
123.11698	4.3
125.09643	8.5
127.03964	1.3
129.07039	1.6
131.08569	10.2
133.10136	9.7
135.11681	12.1
137.09602	5.3
143.08604	1.9
145.10136	7.9
147.04404	4.2
147.11694	6.6
149.09630	2.1
149.13268	6.5
149.14342	1.4
155.10637	3.6
159.11707	7.3
161.13266	4.5
163.11230	2.2
163.14902	2.0
164.73027	1.2
170.63408	1.2
173.11749	16.6
173.13281	5.0
175.14844	1.7
179.59375	1.3
185.13286	1.3
199.13304	5.8
209.11681	1.5
217.14316	1.6
227.12830	4.7
229.14375	48.0
241.14407	2.2
243.21138	3.9
243.40645	1.2
257.14029	3.0
259.20590	1.7
261.22122	13.8
267.15887	6.9
275.19989	1.6
277.21698	1.8
315.18015	3.9
317.24713	2.4
335.25827	59.4
336.26096	1.6
341.23309	1.6
363.25290	2.7
459.35132	1.9
477.35651	12.3
489.35785	72.8
529.78998	1.8
543.36749	2.2
561.37744	1.9
575.39435	2.5
591.42340	3.6
756.84760	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.1
55.05513	36.1
57.03441	19.0
57.03669	0.5
57.07070	3.0
58.67399	0.6
59.05006	37.7
61.02930	3.0
65.03941	4.0
67.05508	100.0
69.03432	5.7
69.07069	15.8
69.07415	1.3
69.20386	6.1
71.01369	1.3
71.04996	13.1
71.08627	1.1
77.03941	0.8
79.05498	42.2
81.03420	7.1
81.07061	58.0
83.01343	1.0
83.04973	5.2
83.08624	16.0
85.02906	7.1
85.06555	2.5
87.04473	57.9
89.06030	1.6
89.40314	0.7
91.03980	1.3
91.05486	25.2
91.29442	0.7
93.07050	42.1
95.04977	6.2
95.08611	37.0
95.09226	0.7
97.02916	2.8
97.06541	3.5
97.10173	18.5
98.21532	1.2
99.04457	18.8
99.08076	1.4
101.06052	1.4
105.04545	0.9
105.07037	16.1
107.04981	3.2
107.08598	27.7
109.06547	2.1
109.10162	55.8
110.10551	1.0
111.04469	2.1
111.08096	4.1
115.03962	1.7
115.05460	0.8
117.07030	7.8
119.08590	14.0
121.06486	1.4
121.10157	16.2
123.04472	0.7
123.08085	2.5
123.11715	4.9
125.05991	1.1
125.09639	13.2
127.03952	1.3
129.05540	1.0
129.07047	2.0
131.08574	12.4
133.08644	1.2
133.10114	8.9
133.10915	0.7
134.10527	0.8
135.08099	0.8
135.11714	11.4
135.12717	1.1
137.09642	3.0
137.13268	1.5
139.11076	0.8
143.08554	1.6
143.10719	2.3
145.10146	8.4
147.11668	6.4
149.09683	2.3
149.13309	3.6
153.12846	1.2
155.10669	4.0
157.10185	2.2
157.12248	0.8
159.11702	6.3
161.13281	3.4
163.11165	4.0
163.14897	2.5
163.99628	0.7
165.12802	1.2
167.03569	0.8
171.11780	1.7
173.04425	0.8
173.09583	1.0
173.11792	15.5
173.13312	5.3
175.11214	1.6
175.14848	1.1
177.12833	0.9
181.12274	1.5
185.13283	1.3
187.14870	2.1
189.11240	1.6
189.12784	0.7
191.10730	2.1
193.12312	1.6
199.13281	10.4
199.14688	1.0
209.11719	1.0
211.13394	1.2
213.14853	0.9
215.69690	0.7
217.14473	2.0
223.13284	1.1
227.12758	6.2
229.14371	46.3
241.14290	3.5
241.19632	1.2
243.21066	3.4
257.13861	2.2
259.15417	1.6
259.20526	2.0
261.22159	11.7
267.15897	5.6
275.20319	0.8
277.21829	1.4
283.15591	1.8
289.21826	2.5
315.17999	9.2
317.24823	2.3
327.23297	1.5
333.19183	1.8
333.24384	1.4
335.25812	64.0
336.26230	1.5
351.25476	1.1
363.25269	5.0
459.34976	2.0
477.35724	21.1
489.35767	53.3
490.36349	1.7
517.35626	2.1
525.36084	1.2
543.36688	4.0
561.38086	1.7
575.39227	4.4
593.40820	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	790.494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.2
55.05512	33.8
57.03194	1.8
57.03442	21.4
57.07072	1.9
57.24552	1.0
59.05006	35.0
61.02915	3.3
65.03931	2.7
67.05508	100.0
68.05824	1.3
69.03427	6.6
69.07072	14.3
70.36308	1.0
70.66868	2.4
70.67225	1.7
71.04994	13.2
79.05495	43.6
81.03043	1.1
81.03434	10.6
81.07061	59.7
83.04987	6.0
83.08628	16.1
85.02911	5.9
85.06536	3.8
87.04472	56.3
89.06037	2.7
91.03968	1.1
91.05485	27.2
93.06474	2.3
93.07047	42.0
95.04961	6.4
95.08613	40.1
97.02888	2.1
97.06531	5.0
97.10173	17.8
99.04464	15.8
99.08103	1.3
105.07035	16.1
107.04994	2.5
107.08600	26.9
109.06512	2.6
109.10162	60.3
111.04443	2.2
111.08104	6.0
115.05435	1.3
117.07011	4.9
119.08582	16.5
121.06525	1.7
121.10141	18.9
123.08037	2.8
123.11684	4.2
125.09640	13.8
127.03914	1.2
129.07019	2.0
131.08575	11.1
133.10144	9.9
135.08128	1.4
135.11691	11.3
137.09642	3.0
143.08556	1.3
143.10651	2.7
145.10101	8.8
147.08087	1.8
147.11703	7.6
149.09639	2.0
149.13240	3.7
151.11195	1.4
155.08603	1.5
155.10678	4.5
157.10114	2.6
159.08122	1.4
159.11685	5.4
161.13261	4.3
163.11163	3.4
163.14850	1.8
165.30086	1.1
171.11726	1.5
173.09534	1.2
173.11719	14.2
173.13263	4.9
175.11218	2.4
175.14786	1.8
177.16341	1.6
177.50983	1.1
181.12177	1.7
183.11627	2.0
185.13255	1.3
187.14841	2.0
189.11179	2.6
191.10689	2.1
193.12238	2.8
199.13313	10.0
209.11731	1.7
217.14307	1.1
223.13252	2.1
227.12785	6.6
229.14363	43.7
241.14342	5.8
243.21130	3.7
252.32671	1.1
257.13818	3.3
259.20578	1.4
261.22198	14.9
267.15906	9.2
277.21722	2.4
283.15475	1.3
289.21716	1.4
315.17929	6.0
317.24692	3.3
327.23169	1.6
335.25824	63.2
336.26062	2.8
339.23657	1.2
363.25266	2.7
459.34583	1.9
477.35788	17.4
489.35800	61.6
490.36032	2.6
517.34827	2.0
527.37439	1.9
543.36810	2.3
561.37555	2.3
575.39288	2.7
591.41882	1.3
593.39825	2.2
761.21564	1.1
771.44067	1.3
816.40198	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.5
67.05503	1.6
69.87366	1.4
69.87777	2.9
79.05518	1.3
81.07057	1.7
83.04980	1.8
91.00507	0.7
91.05502	2.8
93.07070	2.3
95.04982	2.2
103.05465	4.2
105.03369	0.9
105.07043	3.0
107.04965	1.0
107.08609	0.9
107.71876	0.9
109.06497	0.8
109.10216	0.9
115.05585	0.9
117.07037	0.9
119.08615	2.4
125.02161	1.1
129.07001	1.4
131.04948	5.8
131.08669	1.6
133.06459	0.9
133.10178	1.3
141.07027	1.1
142.07800	1.1
143.08624	1.9
145.06500	1.2
147.08148	1.4
154.77505	0.9
155.08585	1.4
157.10222	0.9
159.08125	1.5
169.10152	1.6
171.04166	0.9
171.11736	1.1
183.11812	1.5
184.07677	1.1
185.09673	0.9
199.11072	1.8
206.10962	0.8
217.04860	1.6
225.09232	0.8
239.10651	1.1
272.01318	0.8
341.13736	1.7
461.15677	2.1
493.18423	1.3
517.18530	2.3
521.17969	5.1
535.19470	1.6
563.19287	3.7
577.20361	1.4
595.22040	0.9
601.21582	1.0
609.21173	4.4
623.20856	1.4
627.21576	0.9
661.31677	0.9
669.23456	2.6
711.24011	2.4
771.26251	28.9
772.26715	1.4
774.36584	0.8
789.27277	100.0
790.27594	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	789.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
55.05505	1.9
57.03436	0.8
60.03281	0.6
65.03939	0.6
65.87605	0.5
67.05505	2.9
69.07081	0.8
69.61911	0.5
71.04983	0.9
71.19245	0.6
71.54867	0.8
79.05499	1.9
81.07064	1.5
83.04988	1.0
83.08612	1.1
91.05494	1.9
93.07058	1.1
95.04983	2.2
95.08597	0.7
97.06542	0.9
103.05492	1.6
105.07014	1.8
107.08595	1.4
109.10172	1.4
114.09167	0.9
116.51614	0.6
117.07027	0.7
119.08611	1.7
126.54222	0.7
128.06273	1.1
129.06929	1.0
131.04947	3.8
131.08563	1.5
132.05280	0.7
133.10168	1.0
143.08606	1.4
145.06522	0.6
145.10143	1.5
157.10147	0.9
158.37349	0.6
183.11739	0.7
227.12875	0.9
294.27158	0.7
353.38257	0.7
354.24307	0.6
479.16977	3.1
539.19196	3.7
581.19690	4.0
627.22028	17.5
628.22528	1.0
687.24292	1.5
729.25104	17.2
730.24890	1.2
789.27295	100.0
790.28174	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	789.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47801	0.8
63.58384	1.0
67.05514	1.2
69.18455	8.3
75.30059	0.9
79.05503	2.1
81.03405	1.1
81.07080	1.2
91.05506	1.9
93.07064	1.9
95.04960	1.5
96.63715	0.8
98.20798	2.1
103.05462	5.7
105.07049	2.3
117.07052	2.1
119.08593	2.2
121.10188	0.9
125.02174	1.1
129.07074	1.1
131.04936	8.3
131.08618	1.7
143.08607	1.5
145.06549	1.2
145.10187	1.4
147.08089	1.0
155.08534	1.5
156.09375	1.2
157.10196	1.1
169.10229	1.2
185.09625	1.0
191.61369	1.0
193.10336	0.9
199.11302	1.0
201.12712	1.0
217.04797	2.2
239.10483	1.5
319.11484	1.0
341.13748	3.0
343.15399	1.5
403.15390	1.4
415.15170	1.0
417.16953	1.6
461.15948	1.7
466.48022	0.9
493.18402	1.5
517.18158	1.8
521.17719	4.4
535.20007	2.6
563.18884	2.5
609.20984	7.2
623.21082	1.7
627.21613	1.8
655.69470	0.9
669.23242	4.4
677.22388	1.2
679.69135	1.2
683.24249	1.0
711.23981	5.1
729.25250	1.5
771.26215	59.4
772.26422	2.4
789.27307	100.0
790.27820	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	788.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01826	1.4
55.05509	4.1
57.03442	2.3
61.02880	1.1
62.90580	0.4
65.03908	0.8
67.05505	7.9
69.03392	1.8
69.07071	5.1
71.04976	0.7
73.02872	1.4
75.99436	0.4
79.05504	6.0
81.03423	9.6
81.07064	7.9
83.04931	1.8
83.08622	3.4
85.02863	1.7
91.05485	10.9
92.04486	0.5
92.05006	5.9
93.05746	1.4
93.07051	5.6
94.06547	1.1
95.01303	1.1
95.04974	4.1
95.08615	4.7
97.02890	0.9
97.06540	2.8
98.21549	0.6
99.04442	0.5
101.02335	0.5
103.05445	0.6
105.07034	10.5
106.06559	2.2
107.04955	2.8
107.08585	3.3
109.06498	1.0
109.10148	2.1
111.08054	0.9
115.05425	0.9
117.05709	1.8
117.07016	2.3
117.51864	0.4
118.06548	18.5
119.07356	1.9
119.08593	6.0
120.08064	1.8
121.06448	0.6
121.10112	2.0
123.11680	0.6
125.09566	0.5
129.06961	1.4
130.06509	2.1
131.04901	0.9
131.07291	0.8
131.08517	3.6
132.08090	2.1
133.10129	6.4
134.09657	0.7
135.07954	0.4
135.11636	1.1
137.09526	0.6
143.08559	0.8
144.08064	0.8
145.10129	2.3
146.09616	1.1
147.07993	0.5
147.11700	2.1
149.09602	1.5
149.13219	0.4
151.11119	1.0
157.10104	1.8
159.11656	1.4
161.09627	0.4
161.13216	0.6
162.09151	19.0
163.09955	5.2
163.11179	0.9
165.09143	0.4
168.36206	0.4
169.10161	0.5
173.09560	0.4
173.13167	0.7
175.11177	0.8
176.10693	1.6
177.12730	0.6
179.14284	1.2
190.12221	0.7
193.12263	2.3
201.12723	0.4
202.15906	5.5
212.25412	0.4
218.15393	0.5
230.15402	33.3
231.15744	0.5
234.52565	0.4
248.16446	1.3
253.14369	1.6
257.18954	0.7
262.17899	1.9
267.15945	10.4
274.18073	1.5
275.20111	8.3
291.19409	0.4
291.26740	0.4
292.19077	79.1
293.19489	1.2
304.19098	2.4
322.20215	0.9
332.22211	1.0
348.21686	2.6
349.23755	5.5
365.23227	0.7
424.82059	0.4
510.27048	8.5
510.34387	0.7
541.35278	35.1
542.35809	1.4
559.36786	1.2
591.35504	0.8
626.44263	4.6
714.94366	0.5
788.49408	100.0
789.49615	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	788.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.2
55.05515	24.4
55.23224	1.7
57.03443	18.4
57.07073	4.3
57.31256	1.7
59.73538	1.6
61.02925	3.8
62.17668	1.6
65.03955	2.7
67.05510	73.4
69.03433	6.4
69.07071	16.2
71.01347	2.0
71.04994	4.9
73.02922	3.6
79.05058	3.1
79.05500	45.8
81.03424	71.3
81.07066	64.4
83.04987	5.7
83.08626	19.8
83.10284	1.5
85.02912	8.4
85.06547	3.5
86.06071	2.7
86.69364	1.7
87.04462	4.4
91.05487	37.9
91.38235	1.6
93.07054	49.9
95.04983	22.0
95.08617	47.9
97.02915	4.0
97.06535	5.3
97.10183	6.8
104.07111	7.6
105.07034	29.5
106.13614	1.6
107.04958	7.2
107.08611	27.6
109.02813	1.9
109.06544	6.5
109.10173	27.0
111.04442	1.6
111.08089	7.6
115.05473	1.9
117.07005	9.4
119.08587	25.8
121.06536	3.9
121.10139	24.5
123.04472	2.0
123.08069	4.3
123.11720	5.6
125.09647	6.1
128.07095	3.5
129.07004	10.4
131.08578	20.4
133.06519	3.6
133.10144	17.6
135.08080	3.4
135.11693	14.5
137.09636	5.6
143.08554	1.9
145.10155	10.3
147.08052	3.7
147.11705	14.4
149.09595	7.8
149.13297	6.7
151.11234	2.5
157.10127	13.0
159.11711	8.0
161.09691	3.8
161.13252	5.0
163.11229	4.3
165.12755	2.2
171.11728	2.3
172.12593	1.8
173.11784	3.0
173.13263	4.7
175.11200	9.1
175.14914	2.2
179.10754	1.8
183.11813	2.2
184.07405	2.3
185.13416	2.0
187.14835	3.4
189.11191	2.4
193.12270	22.0
201.16360	1.9
211.13283	4.2
227.12836	6.4
229.14395	3.2
243.21216	6.6
259.20703	1.7
261.22183	19.6
267.15936	98.1
268.16183	1.8
273.18466	2.0
285.17044	4.2
299.15051	5.5
299.23560	2.1
301.25269	5.6
317.24884	2.5
331.17496	13.3
333.24460	2.0
335.25830	100.0
336.26068	3.2
421.25757	4.0
435.27271	3.3
435.32721	4.3
453.33817	6.4
471.34482	5.1
489.35919	11.9
527.37329	58.3
528.37659	4.2
545.38458	45.8
546.38995	2.5
559.36084	2.2
573.38092	2.5
591.39209	8.3
788.48413	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	788.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.8
55.05260	4.8
55.05513	58.0
57.03440	4.3
67.05512	16.8
69.07069	7.2
70.06572	3.0
71.55328	4.3
73.02958	2.4
79.05508	17.2
81.03410	10.8
81.07070	19.8
83.04988	100.0
83.08620	6.4
91.05489	23.4
93.07038	20.0
95.04946	7.4
95.08599	8.2
97.02935	3.2
97.06558	4.3
97.10164	2.9
103.05466	13.7
105.03416	5.2
105.07048	24.8
107.04935	4.2
107.08611	12.9
109.06520	5.3
109.10159	9.6
111.04395	3.1
111.08074	4.8
115.05471	3.5
115.07626	2.6
117.07037	5.5
119.08596	21.6
121.06512	6.1
121.10176	4.1
123.08091	3.4
125.09625	5.9
128.06195	3.1
129.07021	7.6
131.04947	20.7
131.08591	9.9
132.05281	6.0
133.06505	9.3
133.10155	16.9
135.08098	4.4
135.11748	3.9
141.06978	4.4
142.07861	3.8
143.08562	7.9
145.06520	5.2
145.10143	10.9
147.08057	11.0
147.11700	5.6
149.09624	5.9
151.11209	3.4
155.08588	6.4
156.09364	8.0
157.06427	2.7
157.10136	14.3
157.22006	2.4
159.08084	5.2
159.11719	4.8
161.05983	8.0
161.09567	6.9
163.11240	5.2
165.06985	3.8
169.10190	12.3
170.10851	4.9
171.08075	6.1
171.11671	23.2
173.09633	11.7
175.07509	5.8
179.11006	2.7
181.10156	4.1
183.11687	26.6
185.09642	5.5
185.13269	17.8
187.07587	5.4
193.10191	3.5
193.12102	2.6
195.11717	5.9
197.09642	3.4
197.13249	8.0
199.11224	10.8
201.12750	3.4
205.10258	3.1
207.11800	2.9
211.11214	10.9
213.09154	3.4
213.12753	16.6
219.11790	2.8
221.09627	2.7
221.13283	3.3
223.11330	3.7
227.12781	4.1
229.12254	4.8
231.11815	3.6
235.14909	2.9
243.11638	3.9
243.13779	9.4
244.12558	3.1
245.13229	4.2
245.15442	6.9
246.20695	2.5
247.14842	3.0
255.13876	6.7
258.14001	3.7
268.12466	2.7
269.13184	5.2
270.14011	5.8
273.14981	8.6
275.20181	4.3
281.17575	3.7
283.11359	2.8
283.15002	5.4
285.16586	5.4
286.13629	3.4
287.14587	3.0
291.19644	8.7
297.12845	4.8
298.13544	3.2
299.14957	6.0
299.17947	2.8
301.16406	3.8
311.14267	3.2
313.15875	6.4
315.17426	3.4
327.17493	6.4
329.15329	3.8
331.16895	7.0
341.15213	6.3
343.16681	2.9
355.17035	11.0
359.16373	12.0
373.17969	11.8
377.17429	4.3
383.16388	7.8
391.19012	4.7
401.17493	12.0
403.18875	5.7
405.20602	10.2
415.18765	12.7
419.18787	5.6
433.20123	31.7
451.21170	20.4
455.22400	2.9
475.30539	4.0
493.22067	12.2
493.28128	5.8
511.23389	12.5
515.24121	8.6
533.25244	4.7
573.34131	9.1
575.26318	3.9
591.35217	4.7
593.27301	7.8
627.22638	4.3
693.32214	11.0
771.23926	3.4
789.27234	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	788.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
55.05508	26.1
58.30569	1.4
67.05496	5.3
68.05035	2.6
69.03423	11.7
69.07072	3.5
70.06591	31.3
72.19476	1.4
79.05491	6.1
79.84098	1.4
79.93825	1.5
80.05046	1.7
81.03413	2.3
81.07046	5.7
82.02934	13.8
83.01298	2.6
83.04984	31.2
83.08568	1.3
86.06065	21.7
87.04462	11.7
91.05468	11.3
93.07043	10.1
94.06567	3.8
95.04962	8.5
95.08612	4.1
96.08106	3.1
98.06054	100.0
98.20683	2.4
103.05482	6.6
105.03394	66.1
105.04514	5.7
105.07016	14.8
107.04990	1.9
107.08587	6.3
109.06528	2.3
112.07596	1.5
115.05457	6.6
117.07015	25.4
119.04931	2.4
119.08576	18.1
121.06506	2.0
121.10125	3.2
122.06023	13.4
124.07594	9.4
126.17270	1.5
128.06241	4.6
129.07002	8.6
131.04903	11.5
131.08553	17.0
133.06467	3.9
133.10117	14.3
135.08043	2.4
141.06953	4.7
142.07780	4.3
143.04913	7.7
143.08585	17.8
145.06487	15.9
145.10126	11.5
147.08058	11.5
147.11734	2.7
149.09637	3.4
150.05492	16.6
152.07141	2.9
153.06992	3.2
154.07742	2.1
155.08569	9.8
156.09363	8.2
157.06516	3.8
157.10143	16.0
158.07237	2.2
159.08032	8.7
159.11679	5.0
161.09576	9.0
162.09131	2.7
165.07043	3.2
166.07828	2.2
167.08557	8.9
168.06573	16.7
168.09337	2.3
169.06525	3.9
169.10056	7.4
170.10931	7.7
171.04445	1.9
171.08046	6.7
171.11665	24.6
173.06062	3.0
173.09630	9.6
173.13269	2.2
175.11191	2.0
179.08546	3.8
180.09448	1.6
181.10164	6.5
183.08086	3.8
183.11702	16.8
184.08798	4.9
185.09596	7.5
185.13229	16.7
187.11203	2.2
191.08595	1.9
191.10580	1.9
193.10126	6.7
195.08083	5.7
195.11749	6.6
196.08849	2.0
197.09578	10.9
197.13248	3.9
198.10410	6.2
199.11165	20.5
200.10512	10.0
202.12263	11.1
205.10175	2.0
206.10896	3.1
207.11623	5.2
209.09608	8.6
209.13229	1.9
211.11209	7.7
213.12729	26.0
214.12262	4.6
215.14328	1.6
216.09357	1.7
217.10110	4.6
218.10936	2.0
219.11676	5.9
220.12444	3.0
221.09586	2.9
221.13231	4.6
222.10400	2.5
223.07565	2.6
223.11194	5.3
225.09222	3.4
228.10228	9.6
229.10184	3.2
230.11786	13.8
231.11633	6.5
231.13878	5.7
232.12468	3.1
233.09567	2.9
233.13214	5.5
235.11099	3.0
235.14853	2.4
237.09114	3.1
237.12782	3.0
241.12241	2.5
242.11632	3.0
243.11688	7.0
244.12704	3.4
245.13303	8.4
246.10782	3.2
246.13841	3.6
247.11185	7.0
247.14847	6.9
248.12892	19.4
248.15445	2.1
249.12737	2.5
251.14310	1.9
254.11050	2.0
255.11632	2.4
256.09613	6.8
256.12350	3.5
257.13266	5.7
258.11090	3.1
258.13882	3.4
259.11032	4.2
259.13141	4.6
259.15170	4.2
260.12311	2.5
260.15518	2.1
261.12753	6.8
261.16437	3.5
262.13852	5.3
263.14297	3.7
265.12167	3.5
267.11700	3.0
268.12540	3.8
269.13187	5.2
270.11160	2.1
270.14035	2.9
271.11295	2.9
271.14786	4.8
272.12180	3.7
272.15503	1.9
273.12680	6.3
273.16382	7.8
274.10733	10.5
274.13376	2.2
274.17242	2.0
275.14297	5.3
275.17957	5.0
277.12042	1.7
277.15860	2.8
280.13071	3.0
281.13135	3.8
282.14417	3.3
283.11349	2.2
283.14780	3.6
284.12082	2.0
284.15610	2.4
285.12775	3.8
285.16180	4.2
286.13644	5.1
287.14285	11.1
287.17410	2.7
289.15869	7.3
290.16690	2.5
291.17389	3.8
295.14664	2.8
296.15683	3.8
297.12833	3.6
297.16290	3.6
298.14127	2.6
299.14252	8.5
299.17841	4.1
300.15063	2.6
301.12567	2.3
301.15854	11.2
301.19305	2.9
302.16586	9.6
303.13901	2.5
303.17490	2.2
305.15341	3.8
309.12787	3.7
310.13834	2.1
311.14566	3.0
311.17966	5.5
313.12122	3.1
313.15991	2.6
313.19562	3.0
314.16434	2.3
315.17340	4.0
319.16837	4.4
324.15118	1.8
326.13242	1.7
327.13934	2.0
327.17426	5.4
329.19034	8.5
339.17432	8.5
340.15228	3.1
341.18924	3.9
343.16949	2.3
355.16754	3.7
357.18524	11.7
359.20020	3.6
367.16922	4.6
375.19385	3.8
384.19214	2.7
385.17923	7.9
403.19052	2.4
412.23132	2.3
424.22537	7.0
428.21994	4.6
430.20145	6.2
440.22134	4.9
442.23828	14.7
444.25217	5.0
452.22064	6.8
458.23370	16.2
460.24814	9.9
470.23297	53.9
476.24179	3.3
488.24338	62.6
506.25327	19.1
509.39560	1.6
520.26917	4.0
524.26367	2.1
529.80609	1.8
530.25250	6.9
548.26495	56.2
566.27490	17.5
570.28235	3.3
588.29425	3.0
592.26794	5.9
610.27759	5.0
648.31677	19.8
652.28949	3.7
666.32336	2.1
670.30042	33.0
688.31189	17.7
752.33472	6.8
770.35260	52.3
771.24969	1.9
789.26666	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	787.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.5
55.05516	25.9
57.03440	10.3
57.07061	2.0
59.04991	1.0
61.02928	5.8
65.03962	3.6
67.05508	53.9
69.03425	3.2
69.06728	1.0
69.07076	16.7
71.05006	3.7
71.08636	0.9
73.02902	2.4
77.03925	1.4
79.05498	44.7
81.03427	3.1
81.07062	55.2
83.04978	3.3
83.08624	10.6
85.02900	6.5
85.06542	2.2
91.03954	2.9
91.05485	55.9
93.07048	46.0
94.54633	0.7
95.04979	8.2
95.08613	40.9
97.02901	4.7
97.06538	4.2
97.10169	5.9
98.31048	0.7
99.08102	1.7
103.05457	2.5
105.04513	1.2
105.07035	38.0
107.04949	3.2
107.08603	20.0
109.06527	4.8
109.10163	12.2
111.08088	3.2
115.05464	7.2
116.06246	2.1
117.07029	28.9
119.04955	2.4
119.08583	25.2
121.06510	5.2
121.10155	16.0
123.08081	5.3
123.11751	2.7
125.09629	2.2
127.03912	1.0
128.06238	13.0
129.07022	18.8
130.07794	7.1
131.08574	50.6
131.16969	0.7
133.06519	6.3
133.10132	14.6
135.08064	3.2
135.11716	8.0
135.15689	0.8
137.09627	1.7
137.13191	0.9
139.07593	0.7
139.11186	1.3
141.07005	7.0
142.07785	3.9
143.08568	48.7
144.09291	2.4
145.06552	2.0
145.10130	54.8
146.10544	0.8
147.04413	1.2
147.08072	7.1
147.11710	8.5
149.09668	4.3
149.13292	4.0
151.07552	0.9
153.07051	1.3
154.07780	2.4
155.08574	6.4
156.09361	1.1
157.06543	0.8
157.10130	17.3
159.08018	2.8
159.10440	1.2
159.11705	14.2
161.09641	9.1
161.13261	3.0
163.11174	5.6
163.14807	1.6
165.07018	2.1
166.07773	2.2
167.08588	3.1
168.09343	1.2
169.10149	10.0
171.08034	1.5
171.11707	10.8
173.09631	3.4
173.13301	4.4
175.11180	4.7
175.14848	1.2
177.12715	3.1
179.08553	1.0
180.09370	0.9
181.10129	8.0
183.11726	5.3
185.09627	1.5
185.13206	5.9
187.11183	1.8
187.14851	1.6
189.12773	1.7
191.14218	0.9
193.10077	1.0
195.11731	13.9
195.13481	0.7
197.13260	1.4
199.11159	1.3
199.14868	2.0
201.12683	1.3
203.10733	0.9
205.12132	0.9
208.12447	1.0
209.13274	2.8
211.14928	1.5
213.12778	2.5
213.16376	1.3
215.14526	1.1
225.16354	0.9
227.17963	5.0
231.13783	0.9
237.16379	13.1
241.14386	1.1
243.21149	0.9
245.19054	3.6
255.17455	13.7
259.20615	1.2
261.22226	3.8
270.32043	0.7
273.18509	52.1
291.19543	2.6
317.24768	0.9
329.21115	6.7
333.24258	1.2
335.25818	100.0
336.26248	2.0
347.22195	29.0
348.22461	1.3
365.22992	1.0
428.82562	0.9
447.33212	0.8
589.42615	0.9
607.43536	44.1
608.43567	2.9
625.44604	6.6
754.55029	0.8
787.49152	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	787.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.4
55.05261	1.9
55.05515	20.2
57.03440	5.1
61.02928	3.2
62.29737	2.1
65.03957	3.9
67.05171	3.2
67.05508	37.1
69.03419	4.6
69.07074	14.4
71.05006	2.5
79.05488	30.4
81.03426	4.8
81.07054	45.0
83.08624	6.4
85.02901	2.1
91.05486	43.8
93.07042	27.8
95.04975	5.4
95.08614	28.9
95.65079	1.7
97.02925	3.3
97.06550	2.7
97.10179	3.1
98.20717	3.6
105.07028	34.8
105.07670	2.2
107.04974	3.0
107.08601	13.0
109.06534	5.7
109.10174	7.3
111.08132	2.5
115.05464	4.9
116.06322	2.5
117.07021	22.8
117.24335	1.7
119.08586	19.1
121.06506	4.4
121.10194	8.9
123.08086	7.2
125.09675	2.0
128.06226	12.1
129.07002	15.9
130.07813	6.3
131.08572	44.3
133.06509	4.2
133.10123	14.8
135.08162	2.3
135.11732	7.0
137.09663	2.6
139.11211	2.2
141.07019	7.8
142.07816	3.1
143.08565	48.8
145.06526	2.1
145.10129	52.1
147.08109	6.7
147.11703	5.8
149.09633	2.2
149.13237	1.9
151.07452	1.7
151.11163	2.0
155.08606	5.8
157.10107	14.3
159.08090	2.8
159.11681	11.2
161.09650	6.1
163.11232	3.7
165.07037	3.1
167.08517	3.5
169.10178	8.9
171.11699	10.8
173.13306	3.7
175.03764	1.7
175.11229	4.4
177.12791	3.4
181.10141	8.3
183.11714	6.8
185.13367	4.2
195.11740	11.2
199.11316	2.2
207.69983	2.1
227.18037	3.5
237.16360	9.8
245.19150	2.8
255.17430	15.7
261.22403	2.1
273.18491	39.1
291.19739	2.3
329.21307	5.3
335.25827	47.8
347.22147	30.1
407.24133	4.0
463.27045	4.9
607.43579	31.8
787.49677	100.0
788.50250	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	786.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.7
58.33393	1.4
65.03945	2.0
67.05482	4.7
68.05038	2.1
69.03410	5.4
69.25814	12.6
70.06594	14.1
71.05028	1.3
79.05489	7.0
81.07040	5.4
82.02953	8.9
83.01326	1.7
83.04968	10.1
86.06072	11.5
87.04447	7.9
91.05479	10.8
93.07035	4.1
95.04971	8.5
95.08605	1.7
97.02874	1.5
98.06056	43.9
103.04789	3.0
103.05469	50.4
103.59950	1.2
104.05782	8.0
105.07038	12.5
107.08575	3.0
115.05450	7.1
115.92565	1.4
117.06229	1.9
117.07027	29.9
119.08599	10.8
121.06518	1.9
121.10156	2.0
122.06015	5.5
123.08020	1.6
124.07578	5.6
127.95358	1.6
128.06241	3.5
129.06978	5.7
130.09210	1.2
131.04930	100.0
131.08565	12.0
132.05243	16.1
133.05528	3.5
133.06493	6.9
133.10120	13.3
135.07997	2.6
137.05931	1.4
141.06995	3.3
141.52156	1.4
142.07721	4.8
143.04906	3.9
143.08578	11.0
145.06511	9.3
145.10089	7.6
147.08051	3.9
149.09608	2.8
150.05486	12.2
152.07040	2.8
153.07039	2.6
154.07780	2.1
155.08537	5.2
156.09325	6.3
157.06468	2.3
157.10141	13.6
159.08084	6.7
159.11678	4.6
161.05960	6.0
161.09593	8.8
162.06305	2.9
162.09012	1.4
163.07520	2.2
165.02757	1.5
165.07014	2.4
166.07817	1.8
167.08571	4.9
168.06560	10.0
168.09387	2.4
169.06534	2.1
169.10149	11.0
170.10930	3.1
171.08057	2.3
171.11703	25.1
173.09596	6.1
173.13254	2.6
174.09134	1.5
175.11227	2.4
179.08502	2.7
180.09265	1.7
181.10109	3.9
182.10870	1.7
183.08057	3.8
183.11711	43.2
185.09625	5.0
185.13264	21.5
187.07515	2.4
187.11171	5.0
193.10098	3.3
195.08075	3.0
195.11725	6.3
197.06110	1.7
197.09610	7.4
197.13277	4.9
198.10318	1.7
199.11154	7.6
200.10699	4.2
201.12784	4.7
202.12233	13.3
206.10912	3.0
207.11708	4.2
208.08556	1.5
209.09552	2.4
209.13257	1.8
211.11176	5.8
213.12735	20.3
214.12187	2.0
215.14325	1.5
217.10287	3.1
217.12228	2.3
218.11491	1.8
219.11765	3.2
220.08739	1.6
220.12550	1.6
221.13254	4.5
223.11128	2.9
225.09157	7.2
226.09471	4.4
228.10144	5.7
228.13774	1.8
229.10190	3.5
229.12199	2.0
230.11815	16.6
231.11734	3.7
231.13820	2.7
232.12508	3.2
233.13353	2.3
234.14027	1.6
235.14920	2.4
241.08408	1.7
241.12189	4.8
242.11662	4.5
243.11751	2.2
243.13855	2.4
244.12648	2.8
245.13152	3.6
245.15411	8.4
246.11151	6.0
246.13708	2.6
247.14850	5.0
248.12830	29.8
248.15265	1.3
251.14131	1.8
255.13872	1.8
256.09567	2.3
257.15485	1.9
258.11447	1.8
258.14145	1.8
259.14789	5.5
260.12698	5.0
261.12622	2.1
262.14221	2.6
264.12201	1.9
268.13220	2.1
269.13226	2.8
270.14142	1.8
271.14682	2.9
273.14584	13.0
274.10684	3.7
274.13971	2.5
276.12375	2.3
282.14398	4.0
283.14728	1.8
284.15588	1.9
285.16275	3.4
286.14301	2.9
287.14456	2.8
287.17880	2.9
289.15839	1.9
291.16031	3.0
297.16354	3.4
298.14063	2.4
299.14398	2.8
299.17783	3.6
301.15884	3.7
301.19302	2.1
309.13052	1.9
311.17963	2.7
311.74158	1.4
313.15668	1.8
313.19302	1.6
315.17404	2.3
327.17377	3.2
329.19012	2.3
333.18600	2.5
339.17355	4.7
357.18314	3.4
360.18256	2.6
371.20218	1.9
378.17233	1.9
391.21030	2.9
414.24377	1.9
416.22089	2.2
424.22522	2.1
428.22086	5.3
430.23932	2.2
440.22058	2.6
442.23691	8.9
446.23178	2.1
458.23129	6.0
460.24768	7.4
470.23300	15.2
474.26035	1.8
476.24133	2.1
483.19397	2.5
488.24261	17.9
490.26035	10.1
492.27609	2.4
502.25964	14.6
503.25595	1.7
506.25250	9.6
520.19727	1.6
520.27032	18.4
538.27759	10.0
567.21442	2.0
584.21722	3.0
585.22040	5.9
588.29315	4.3
602.30768	2.3
606.30243	9.2
620.31445	4.4
638.32813	5.4
733.27283	4.5
754.35736	14.4
768.37042	3.8
786.39728	22.6
806.87292	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
55.05482	2.6
67.05505	5.1
69.03418	2.8
69.25993	11.1
69.26395	6.3
70.06595	2.2
74.93876	1.5
75.74993	2.1
79.05485	5.7
81.03429	2.2
81.07071	2.5
83.04977	3.5
91.05486	10.4
93.07041	7.2
95.04961	11.4
95.08599	3.7
97.02869	2.0
103.05463	8.4
105.03396	100.0
105.04495	4.9
105.07037	12.2
107.04939	3.7
107.08605	4.5
109.06509	2.7
109.10186	2.2
115.05444	6.1
117.07013	13.6
119.08566	10.5
121.10209	1.9
128.06296	3.9
129.06960	5.9
131.04930	10.7
131.08569	8.4
133.06506	5.8
133.10152	8.4
135.08076	4.1
141.06981	2.9
142.07785	3.4
143.08557	10.4
143.25360	1.9
145.06491	15.4
145.10101	10.5
147.08041	7.2
149.09644	4.1
155.08543	6.1
156.09354	5.6
157.10103	13.3
159.08069	10.3
161.05991	6.5
161.09595	6.0
163.07523	7.6
163.11166	3.3
164.08025	1.9
169.10228	9.8
170.10858	5.3
171.08061	5.7
171.11687	29.4
173.05984	12.5
173.09610	7.6
175.07626	3.3
177.09120	7.6
181.10167	3.6
183.08029	2.5
183.11684	24.4
184.08867	1.9
185.09618	5.8
185.13260	21.1
187.07544	2.1
187.11203	4.2
189.09122	7.6
191.07053	3.4
193.10207	2.3
195.08038	2.3
195.11687	4.1
197.09613	5.4
197.13301	6.1
199.11235	9.5
201.08975	2.5
201.12766	2.6
203.06929	1.9
205.12175	4.3
207.11656	6.4
209.09801	2.4
211.11214	6.2
213.12708	18.5
219.11790	3.1
220.12526	3.3
221.13235	4.7
223.11177	2.4
225.09140	3.2
225.12698	2.2
229.12279	3.4
231.09962	2.2
231.13803	2.7
237.12726	2.4
241.12141	2.9
243.11719	2.7
243.13919	3.9
244.12444	3.7
245.15443	11.9
247.11124	2.4
247.15074	4.3
255.13896	3.0
257.13519	3.2
258.14032	3.1
259.14932	3.8
261.12723	4.5
267.11700	3.3
271.14920	2.6
272.15460	2.3
273.14920	6.2
274.27505	2.8
275.14142	2.3
282.14069	3.9
284.11884	2.9
287.17755	2.0
296.15598	3.0
297.16486	2.5
298.13333	3.1
299.14047	2.9
300.15225	3.5
301.15939	3.8
311.14169	2.4
313.15759	4.4
315.14001	2.3
315.17371	6.3
325.15820	4.2
327.17224	4.4
329.19022	4.5
331.16879	7.6
339.17484	4.2
343.16937	8.9
357.18460	12.5
361.17886	4.1
367.16571	2.4
373.17856	2.6
375.19611	5.9
385.17969	7.3
389.21115	5.8
399.19330	5.0
403.19119	9.0
405.20779	6.8
407.22366	3.9
417.20602	18.5
435.21579	16.8
449.23151	3.2
453.22485	3.1
477.22690	6.3
495.23795	3.5
537.24554	4.1
659.28644	10.5
673.29669	4.7
691.31293	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	785.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
55.05514	9.9
57.03440	5.1
61.02931	20.7
65.03950	1.2
67.05172	1.4
67.05506	18.8
69.03438	5.9
69.07072	7.1
70.06589	1.1
71.04989	2.0
73.02923	4.6
76.74913	0.7
79.05499	16.3
81.03429	4.5
81.07059	18.6
83.04980	3.0
83.08607	5.8
85.02428	1.4
85.02910	23.2
85.06522	1.2
91.03958	13.8
91.05486	25.7
93.07048	16.4
95.04984	4.8
95.08617	11.8
97.02898	13.8
97.06528	2.7
97.10148	2.2
99.04477	1.6
99.08065	1.2
103.05470	3.2
105.07037	20.8
107.04969	4.0
107.08604	8.0
109.02896	1.5
109.06518	3.0
109.10164	5.9
111.08082	2.0
115.03955	1.2
115.05470	2.5
117.07020	17.7
119.08575	12.3
120.08930	0.8
121.06497	2.9
121.10147	5.1
123.04438	1.5
123.08067	2.7
125.09635	1.3
127.03920	4.0
128.06238	4.7
129.07002	19.1
130.07820	0.7
131.04906	4.3
131.08578	24.3
133.06512	3.9
133.10132	7.8
135.08064	3.6
135.11710	3.3
137.09654	1.4
139.11169	0.9
141.06982	8.1
141.48590	0.8
142.07834	1.7
143.08548	15.1
145.04965	3.9
145.06476	4.5
145.10126	12.4
145.11284	1.0
147.08067	4.3
147.11722	3.6
149.05911	1.1
149.09651	2.5
149.13248	1.1
151.11217	1.1
153.07007	1.3
154.07762	1.5
155.08560	12.4
156.09309	0.7
157.06531	1.7
157.10132	10.8
159.08081	5.0
159.11676	6.3
161.09662	2.5
161.13257	1.0
163.06035	2.9
163.07457	0.7
163.11218	1.3
165.07013	2.9
167.08571	5.9
168.09373	1.3
169.10138	10.1
171.08057	2.9
171.11653	7.4
173.09688	2.2
173.13255	1.9
174.59933	0.7
175.11159	2.1
177.12743	1.4
178.07806	0.9
179.08568	2.8
179.10648	0.7
180.09406	1.1
181.10150	7.0
182.11034	0.9
183.08070	0.7
183.11714	8.0
185.09610	2.3
185.13260	4.1
187.11194	2.3
187.14883	1.4
189.11264	0.8
189.12788	1.3
193.10150	3.0
195.11731	6.8
195.13530	1.1
196.12373	0.8
197.09593	0.9
197.13257	6.1
199.11220	2.5
199.14835	1.8
201.12785	1.1
203.14398	1.5
205.10223	1.0
205.12167	1.1
207.11716	2.5
209.13280	4.2
211.11450	1.0
211.14844	4.1
213.12764	2.4
213.16434	1.0
215.14397	3.8
219.11768	1.3
221.13249	4.7
223.11339	0.8
223.14830	5.6
225.12691	1.5
225.16405	1.2
227.14343	2.2
229.63191	0.9
231.17447	1.2
233.13411	1.2
235.14816	2.7
237.12810	1.0
237.16336	0.8
239.14325	2.8
241.15968	1.7
243.13959	1.3
245.15457	1.5
249.16492	0.9
253.15950	2.4
257.15424	2.1
259.17056	1.3
267.17615	1.4
269.15198	1.1
271.17047	2.1
285.18375	0.9
315.21136	2.1
323.23596	3.5
333.22162	8.3
341.24783	3.0
351.23172	24.9
369.24252	18.7
387.25348	8.8
407.25415	0.9
410.37094	0.8
415.28366	1.1
425.26941	8.1
443.27951	100.0
444.28174	2.5
461.29028	65.7
462.29184	1.5
485.29440	1.6
503.29889	2.0
515.29132	1.0
551.30554	1.1
569.31226	2.1
587.32562	1.9
605.33032	2.8
623.34143	3.0
767.38763	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.6
55.05505	1.1
61.85847	0.4
67.05493	1.7
69.03414	1.1
69.07079	0.5
70.06564	0.4
71.56016	0.7
77.03893	0.7
77.55496	0.4
79.05492	1.9
81.03414	2.0
81.07056	1.4
83.04971	0.8
91.05482	2.9
93.01073	0.7
93.07043	1.8
95.04972	6.1
95.08611	1.1
100.07606	0.5
103.05470	42.6
104.05820	0.8
105.03371	0.7
105.04507	1.5
105.07037	6.0
107.04945	1.5
107.08583	0.9
109.06498	0.9
111.04454	0.6
115.05456	1.6
117.07011	2.2
119.04955	1.6
119.08575	1.6
121.06506	1.8
123.04488	0.8
125.06006	0.6
128.06252	1.3
128.43266	0.4
129.06975	2.2
130.07819	0.5
131.04932	100.0
131.08585	2.5
132.05270	1.5
133.05569	0.8
133.06503	6.1
133.10121	0.5
135.04396	0.9
135.08057	1.3
137.05983	1.0
141.07027	1.5
142.07762	1.8
143.08578	3.5
145.06468	2.8
145.10129	1.2
147.08043	0.9
149.05966	1.3
151.07565	0.8
152.06183	0.6
153.05518	0.4
153.06964	1.1
154.07793	1.6
155.08582	1.4
156.09325	1.9
157.06483	0.9
157.10133	2.4
158.07292	0.5
159.08049	2.4
159.11729	0.8
161.05988	13.2
161.09668	1.4
163.07559	2.3
165.06927	1.1
166.07790	1.0
167.08629	1.0
169.06538	1.5
169.10179	2.3
170.10959	0.7
171.08081	2.8
171.11700	2.4
172.08855	0.9
173.05972	1.4
173.09659	1.2
175.07596	1.2
177.09148	0.5
179.07047	1.6
179.08574	1.5
180.09279	0.6
181.10143	1.2
182.07275	1.1
183.08044	1.6
183.11714	1.0
184.08855	0.8
185.09625	2.7
185.13300	0.6
187.07521	2.2
187.11166	1.0
189.09076	0.7
191.08536	0.6
193.10080	0.8
195.08112	0.9
196.08858	0.7
197.06017	1.1
197.09641	3.7
197.13075	0.5
198.10437	0.9
199.07608	2.0
199.11185	5.1
201.05699	0.6
201.09157	1.0
203.07066	0.8
205.08615	1.3
207.11755	0.6
208.12294	0.5
209.05954	0.7
209.09648	1.2
211.07532	0.9
211.11081	0.9
213.09146	3.1
215.06946	0.8
215.10664	1.2
217.08626	1.5
219.10120	0.7
223.07507	0.7
225.05530	1.2
225.09103	8.1
227.07005	0.9
227.10741	1.5
229.08522	0.7
230.10910	0.7
231.11832	0.6
235.07533	0.6
237.09274	0.5
239.10611	0.5
241.08531	4.0
242.09178	0.6
243.10062	2.1
245.08089	1.0
247.07532	0.8
247.09756	1.6
249.09175	0.8
251.04697	7.8
251.07201	0.7
251.10640	1.1
255.10223	1.1
257.08087	7.5
257.11728	0.9
258.08823	0.5
259.09488	3.2
267.09970	0.6
271.09738	0.8
273.11261	1.0
283.09567	0.6
285.11142	4.1
301.10562	2.3
303.12469	1.8
327.13437	0.5
331.16916	0.8
339.14005	0.6
343.13263	0.6
349.17886	0.6
357.14752	1.4
359.16418	0.9
373.14636	0.6
377.17749	0.5
385.14398	1.5
401.13531	1.0
403.15494	1.5
413.13907	0.5
419.14938	1.1
421.16183	1.1
423.12079	2.7
431.14908	1.6
437.15674	0.5
439.11597	4.3
441.13358	1.1
445.16446	1.0
449.15875	0.7
451.17526	1.7
453.19415	0.5
463.17484	3.9
481.18597	3.1
499.19855	0.8
505.04050	0.5
569.15790	1.3
571.17377	0.5
583.17523	0.6
601.18304	2.3
619.19263	2.9
731.22644	0.8
749.23419	1.6
785.33850	3.1
806.73993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85403	0.3
56.05038	0.8
67.05499	0.4
69.07066	0.9
69.19632	0.4
69.19930	3.4
71.08632	1.1
73.48205	0.3
79.05496	0.7
81.07054	0.4
86.09709	100.0
87.10058	0.6
91.05486	0.5
93.07040	0.5
97.30322	0.3
98.09687	1.1
103.05496	1.2
105.07041	1.9
107.08581	0.3
107.42301	0.3
109.10149	0.4
111.82691	0.3
112.11243	6.7
112.11955	0.5
120.08112	39.7
121.08453	0.4
121.77686	0.3
131.04939	0.8
132.08128	0.8
146.09674	2.1
154.15912	18.6
157.13365	11.4
167.11879	0.4
185.12866	13.6
188.14349	7.6
191.11781	0.5
199.18056	16.0
204.53966	0.3
209.16589	0.8
219.11377	0.7
225.19629	7.3
225.21704	0.6
227.17552	14.7
227.19714	0.5
233.16496	16.6
234.16995	0.4
243.14949	0.5
253.19130	7.3
259.18060	2.7
261.15997	15.1
267.24310	7.9
271.14261	0.4
280.20392	1.0
283.43881	0.4
287.17560	2.9
295.23740	4.0
298.21274	7.7
301.22763	7.6
311.21048	0.4
329.22174	4.4
332.19705	5.6
332.23428	0.4
340.25882	2.4
356.23264	0.7
366.27496	2.1
374.24414	4.6
383.30231	1.3
400.26010	3.1
402.23929	0.4
408.03342	0.4
408.32339	0.9
411.29703	4.1
417.28827	1.6
442.30725	2.0
445.28143	4.4
453.34335	0.7
459.33386	1.4
479.35785	1.9
487.32925	2.4
496.38416	0.7
513.34436	3.4
524.37970	3.5
530.37122	2.1
555.39343	1.1
558.36584	8.9
572.41766	0.9
592.44342	1.2
598.43372	0.7
600.41180	1.8
609.46771	0.4
626.42694	6.9
637.46753	2.5
643.45392	5.2
653.44458	0.6
668.47559	0.8
671.44910	19.0
672.44843	0.6
699.44812	0.4
711.51263	0.5
739.51575	3.8
756.53796	8.1
757.52863	0.4
766.52124	2.5
784.53320	12.5
785.53687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.7
55.05271	3.5
55.05515	61.0
56.05029	3.9
56.35060	2.4
57.03426	3.0
67.05497	8.1
68.05029	20.8
69.03426	8.1
69.07056	3.5
70.06580	12.9
79.05495	11.7
79.37070	2.3
80.05025	5.3
81.03415	6.7
81.07046	12.1
82.02940	11.6
82.06566	3.3
83.01355	5.7
83.04980	67.8
84.04515	23.4
85.02906	11.3
86.06063	2.5
87.04447	4.3
91.05483	23.2
93.07040	10.1
94.06544	7.8
95.04966	11.0
95.08608	6.8
96.04492	9.0
97.02880	3.8
100.07617	8.9
102.05496	3.2
103.05473	11.8
104.07117	2.8
105.07038	20.1
107.08588	8.7
108.04449	3.9
109.02892	3.2
109.10175	5.5
114.05552	24.9
115.05470	9.7
116.07069	9.1
116.60453	2.4
117.07016	43.2
119.08585	32.9
120.04459	9.4
121.06499	5.3
121.10158	5.5
122.06028	2.9
123.08039	2.8
125.08177	2.9
128.06197	9.0
129.07016	17.2
131.04953	26.0
131.07372	5.9
131.08566	18.3
132.05278	3.8
133.06531	4.7
133.10106	27.3
135.08075	5.9
135.11720	2.9
138.05479	6.6
141.06946	5.7
142.04950	12.9
142.07761	10.2
143.04929	5.1
143.08562	24.4
145.06500	13.9
145.10123	23.5
146.08093	10.2
146.09349	3.2
147.08043	16.7
147.11665	4.4
148.03937	5.5
148.07573	4.8
149.09637	9.1
155.08533	16.1
156.09351	20.9
157.06531	4.5
157.10132	39.0
158.07269	4.3
158.09657	3.1
159.08099	12.6
159.11685	13.4
160.07492	3.7
161.05963	4.5
161.09593	15.3
162.09131	15.4
163.11212	4.3
165.06972	5.6
166.05002	21.8
167.08591	6.4
168.09358	4.2
169.06439	3.0
169.10155	15.1
170.09680	5.3
170.10934	22.6
171.08084	13.2
171.11693	80.3
172.08855	5.0
172.11226	11.3
173.05986	4.1
173.09602	14.4
173.13261	6.9
174.09113	4.9
176.10626	4.5
179.08585	6.1
180.09381	4.6
181.10080	14.5
183.08150	7.3
183.11716	47.9
184.08806	5.5
185.09653	12.6
185.13266	73.7
187.11205	9.3
187.14767	4.4
188.10721	4.4
189.12704	3.4
190.08705	5.1
193.10117	8.8
193.12173	3.1
194.04462	7.2
195.08095	2.9
195.11719	20.8
197.09616	12.4
197.13268	9.6
198.09129	9.1
198.10643	5.6
199.11223	41.7
200.10684	62.9
200.12343	5.0
201.12764	7.2
205.10257	3.0
205.12292	4.8
207.11662	11.2
207.13525	2.8
209.09636	8.1
209.13322	4.8
211.07599	2.8
211.11276	19.0
212.10699	9.7
213.12744	100.0
213.14796	4.8
214.12309	7.5
215.10695	4.4
215.14381	3.6
216.10152	5.9
217.12230	5.3
219.11766	6.9
220.12331	3.5
221.13347	6.9
223.11185	9.1
226.08583	12.4
226.12137	3.9
228.10149	20.6
229.10150	5.4
229.12238	4.3
230.11050	3.8
231.11752	6.9
231.13812	10.1
233.09509	5.4
233.13315	4.7
235.11206	3.3
235.14806	5.2
237.09045	2.6
238.12297	3.7
239.10669	2.9
240.10223	5.9
241.12234	8.5
242.11879	2.8
243.11685	6.8
243.13812	9.2
244.09677	11.4
244.12523	8.6
245.13214	9.5
245.15408	33.5
246.11266	44.8
247.11298	5.2
247.14761	8.3
249.12659	4.7
249.16344	5.6
251.14285	5.0
252.13658	3.4
254.11646	3.3
255.11571	5.5
255.13875	8.5
256.12537	3.8
257.13351	5.3
258.11237	6.8
258.14059	7.6
259.11099	3.7
259.15076	19.6
260.12671	3.2
260.15613	4.4
261.12668	10.1
261.16525	2.9
262.13437	5.2
263.14362	5.4
266.11630	4.2
267.11728	4.8
269.13220	8.3
270.13956	4.0
271.11145	3.8
271.14792	7.1
272.09274	16.1
272.11966	4.1
273.14734	53.0
274.10754	33.3
275.14233	6.3
277.15714	4.1
281.13254	6.4
282.13931	5.8
283.14789	4.0
284.12195	3.6
284.15469	4.2
285.13000	3.6
285.16379	7.4
286.13480	4.3
287.14233	10.7
287.17801	5.9
289.15793	4.6
290.10278	4.8
291.15768	5.0
292.11703	22.8
296.15491	4.4
297.12946	2.6
297.16431	10.2
299.14267	4.0
299.17874	4.5
300.08435	3.8
301.12454	3.1
301.15829	11.2
301.19171	3.7
302.10287	7.4
302.16571	4.6
306.13788	3.5
311.17847	6.4
318.09726	9.8
319.16904	6.2
320.11398	7.7
324.15070	3.0
327.13760	4.0
327.17371	5.2
329.18903	5.2
333.17212	6.0
339.17468	8.3
342.18542	4.1
350.14658	2.7
357.18411	8.7
380.20090	4.1
384.14709	3.6
384.19604	4.7
394.21567	5.2
402.21219	3.6
412.22809	3.6
414.20743	3.4
422.21179	2.8
426.20444	6.5
430.23770	4.5
440.22339	16.9
444.21747	2.9
456.21893	5.5
458.23486	13.1
468.21695	21.2
472.20645	7.7
476.24182	3.4
486.22946	28.4
488.24298	7.0
496.21100	5.2
500.24136	13.8
502.22385	7.2
504.24008	12.7
514.22296	37.8
516.23322	4.4
518.25323	25.7
528.23438	12.1
532.23206	32.9
534.24695	3.1
536.26508	15.9
546.24805	45.4
550.24207	3.7
564.25848	35.1
574.24408	3.2
582.26611	8.8
592.25305	24.1
606.26898	11.3
610.26007	6.4
624.27991	30.6
628.00977	3.3
638.29071	3.4
642.29187	21.6
646.29962	3.5
652.27606	24.6
656.30493	16.5
666.29260	4.7
670.28827	5.7
684.30029	53.3
685.30353	3.0
734.31140	3.8
752.32098	9.5
766.34052	8.5
784.33557	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	784.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.7
55.05271	3.5
55.05515	61.0
56.05029	3.9
56.35060	2.4
57.03426	3.0
67.05497	8.1
68.05029	20.8
69.03426	8.1
69.07056	3.5
70.06580	12.9
79.05495	11.7
79.37070	2.3
80.05025	5.3
81.03415	6.7
81.07046	12.1
82.02940	11.6
82.06566	3.3
83.01355	5.7
83.04980	67.8
84.04515	23.4
85.02906	11.3
86.06063	2.5
87.04447	4.3
91.05483	23.2
93.07040	10.1
94.06544	7.8
95.04966	11.0
95.08608	6.8
96.04492	9.0
97.02880	3.8
100.07617	8.9
102.05496	3.2
103.05473	11.8
104.07117	2.8
105.07038	20.1
107.08588	8.7
108.04449	3.9
109.02892	3.2
109.10175	5.5
114.05552	24.9
115.05470	9.7
116.07069	9.1
116.60453	2.4
117.07016	43.2
119.08585	32.9
120.04459	9.4
121.06499	5.3
121.10158	5.5
122.06028	2.9
123.08039	2.8
125.08177	2.9
128.06197	9.0
129.07016	17.2
131.04953	26.0
131.07372	5.9
131.08566	18.3
132.05278	3.8
133.06531	4.7
133.10106	27.3
135.08075	5.9
135.11720	2.9
138.05479	6.6
141.06946	5.7
142.04950	12.9
142.07761	10.2
143.04929	5.1
143.08562	24.4
145.06500	13.9
145.10123	23.5
146.08093	10.2
146.09349	3.2
147.08043	16.7
147.11665	4.4
148.03937	5.5
148.07573	4.8
149.09637	9.1
155.08533	16.1
156.09351	20.9
157.06531	4.5
157.10132	39.0
158.07269	4.3
158.09657	3.1
159.08099	12.6
159.11685	13.4
160.07492	3.7
161.05963	4.5
161.09593	15.3
162.09131	15.4
163.11212	4.3
165.06972	5.6
166.05002	21.8
167.08591	6.4
168.09358	4.2
169.06439	3.0
169.10155	15.1
170.09680	5.3
170.10934	22.6
171.08084	13.2
171.11693	80.3
172.08855	5.0
172.11226	11.3
173.05986	4.1
173.09602	14.4
173.13261	6.9
174.09113	4.9
176.10626	4.5
179.08585	6.1
180.09381	4.6
181.10080	14.5
183.08150	7.3
183.11716	47.9
184.08806	5.5
185.09653	12.6
185.13266	73.7
187.11205	9.3
187.14767	4.4
188.10721	4.4
189.12704	3.4
190.08705	5.1
193.10117	8.8
193.12173	3.1
194.04462	7.2
195.08095	2.9
195.11719	20.8
197.09616	12.4
197.13268	9.6
198.09129	9.1
198.10643	5.6
199.11223	41.7
200.10684	62.9
200.12343	5.0
201.12764	7.2
205.10257	3.0
205.12292	4.8
207.11662	11.2
207.13525	2.8
209.09636	8.1
209.13322	4.8
211.07599	2.8
211.11276	19.0
212.10699	9.7
213.12744	100.0
213.14796	4.8
214.12309	7.5
215.10695	4.4
215.14381	3.6
216.10152	5.9
217.12230	5.3
219.11766	6.9
220.12331	3.5
221.13347	6.9
223.11185	9.1
226.08583	12.4
226.12137	3.9
228.10149	20.6
229.10150	5.4
229.12238	4.3
230.11050	3.8
231.11752	6.9
231.13812	10.1
233.09509	5.4
233.13315	4.7
235.11206	3.3
235.14806	5.2
237.09045	2.6
238.12297	3.7
239.10669	2.9
240.10223	5.9
241.12234	8.5
242.11879	2.8
243.11685	6.8
243.13812	9.2
244.09677	11.4
244.12523	8.6
245.13214	9.5
245.15408	33.5
246.11266	44.8
247.11298	5.2
247.14761	8.3
249.12659	4.7
249.16344	5.6
251.14285	5.0
252.13658	3.4
254.11646	3.3
255.11571	5.5
255.13875	8.5
256.12537	3.8
257.13351	5.3
258.11237	6.8
258.14059	7.6
259.11099	3.7
259.15076	19.6
260.12671	3.2
260.15613	4.4
261.12668	10.1
261.16525	2.9
262.13437	5.2
263.14362	5.4
266.11630	4.2
267.11728	4.8
269.13220	8.3
270.13956	4.0
271.11145	3.8
271.14792	7.1
272.09274	16.1
272.11966	4.1
273.14734	53.0
274.10754	33.3
275.14233	6.3
277.15714	4.1
281.13254	6.4
282.13931	5.8
283.14789	4.0
284.12195	3.6
284.15469	4.2
285.13000	3.6
285.16379	7.4
286.13480	4.3
287.14233	10.7
287.17801	5.9
289.15793	4.6
290.10278	4.8
291.15768	5.0
292.11703	22.8
296.15491	4.4
297.12946	2.6
297.16431	10.2
299.14267	4.0
299.17874	4.5
300.08435	3.8
301.12454	3.1
301.15829	11.2
301.19171	3.7
302.10287	7.4
302.16571	4.6
306.13788	3.5
311.17847	6.4
318.09726	9.8
319.16904	6.2
320.11398	7.7
324.15070	3.0
327.13760	4.0
327.17371	5.2
329.18903	5.2
333.17212	6.0
339.17468	8.3
342.18542	4.1
350.14658	2.7
357.18411	8.7
380.20090	4.1
384.14709	3.6
384.19604	4.7
394.21567	5.2
402.21219	3.6
412.22809	3.6
414.20743	3.4
422.21179	2.8
426.20444	6.5
430.23770	4.5
440.22339	16.9
444.21747	2.9
456.21893	5.5
458.23486	13.1
468.21695	21.2
472.20645	7.7
476.24182	3.4
486.22946	28.4
488.24298	7.0
496.21100	5.2
500.24136	13.8
502.22385	7.2
504.24008	12.7
514.22296	37.8
516.23322	4.4
518.25323	25.7
528.23438	12.1
532.23206	32.9
534.24695	3.1
536.26508	15.9
546.24805	45.4
550.24207	3.7
564.25848	35.1
574.24408	3.2
582.26611	8.8
592.25305	24.1
606.26898	11.3
610.26007	6.4
624.27991	30.6
628.00977	3.3
638.29071	3.4
642.29187	21.6
646.29962	3.5
652.27606	24.6
656.30493	16.5
666.29260	4.7
670.28827	5.7
684.30029	53.3
685.30353	3.0
734.31140	3.8
752.32098	9.5
766.34052	8.5
784.33557	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	784.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.8
55.05509	1.8
57.03444	0.9
65.03930	1.0
67.05498	2.8
69.03413	2.1
69.07061	1.8
70.35789	0.8
71.04993	0.7
71.56097	1.1
73.69997	0.7
74.09721	1.3
79.05508	3.6
81.03421	2.9
81.07053	3.1
83.04984	2.1
85.02901	1.7
85.06529	0.8
87.04483	1.1
91.05478	4.2
93.07047	2.8
95.04967	8.9
95.08611	2.4
97.02910	0.9
99.04459	0.8
100.07629	1.1
103.05478	31.6
104.05842	0.9
105.07042	7.1
105.88566	0.7
107.04945	1.7
107.08575	2.0
109.06479	1.2
109.10166	1.1
115.05472	2.3
116.07169	1.1
117.07040	2.5
119.08553	3.6
121.02837	0.7
121.06520	1.9
121.10127	1.4
123.08097	1.3
128.06223	1.8
129.07016	2.6
131.04938	100.0
131.08577	3.6
132.05310	1.9
133.06494	6.7
133.10138	2.6
135.04420	1.1
135.08096	1.8
141.07016	2.1
142.07774	1.9
143.08563	4.4
145.06516	2.6
145.10165	2.7
146.08168	1.8
147.08054	1.0
149.09622	0.8
153.06921	0.9
155.08549	2.3
156.08255	0.9
156.09401	2.6
157.10136	4.0
159.08080	2.6
159.11742	2.2
161.05989	17.2
161.09509	1.1
163.07547	3.3
165.06993	1.1
167.08559	1.4
169.06555	1.5
169.10144	4.4
171.08044	3.5
171.11716	3.8
172.08780	1.0
173.05986	1.6
173.09654	1.9
175.07547	1.1
179.07025	1.3
181.10132	1.5
183.08089	2.4
183.11745	2.6
184.08795	1.8
185.09627	1.7
185.13261	1.7
187.07565	2.8
187.11272	1.3
189.05557	0.8
193.12375	0.8
195.08070	1.6
195.11711	1.5
197.09625	4.5
197.13335	1.7
199.07607	2.6
199.11182	7.2
199.14890	1.2
201.09128	1.8
207.08183	0.8
209.09715	0.7
209.13281	1.3
211.07506	2.2
211.11261	1.1
211.14928	1.1
213.09140	4.8
213.12766	1.2
215.07077	10.0
215.10655	2.4
217.08578	0.7
217.12355	1.0
219.10077	0.9
223.07602	1.0
223.11192	1.5
223.14864	0.9
225.05455	1.5
225.09108	7.8
227.07072	1.8
231.09999	1.0
237.09203	0.9
239.10657	1.0
241.08539	4.5
243.06581	1.2
243.10170	2.1
245.08073	1.3
255.10204	1.5
257.08081	15.4
257.10660	1.4
259.09650	10.2
267.10138	1.2
269.08295	1.1
271.09726	1.0
275.08997	1.4
284.31534	0.7
285.11298	2.7
301.10645	10.7
303.12415	2.5
309.11075	0.8
313.12280	0.8
325.12521	1.0
339.19650	1.5
343.13739	0.8
354.93896	0.9
370.43311	0.8
381.20099	1.0
381.24338	2.0
385.14139	1.3
385.19720	1.0
395.25925	1.1
401.13937	2.0
403.14764	2.7
419.14877	1.5
423.25562	1.1
424.14417	0.9
433.16467	0.9
441.26459	8.2
445.16397	2.1
459.27423	1.0
463.17603	5.6
480.49030	0.8
481.18823	4.3
499.19601	2.4
517.18951	1.1
533.18097	7.4
535.19885	2.3
536.53351	0.8
553.20258	1.4
563.28656	1.0
565.20801	1.9
583.21698	2.5
601.22839	1.2
687.20007	0.9
695.24982	3.1
713.25903	3.2
731.27032	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	784.317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.0
55.05504	1.9
57.03431	0.9
63.80516	0.7
67.05492	2.6
69.03411	0.9
69.07075	1.4
70.06587	1.2
71.55771	0.7
77.03905	1.6
77.48483	0.6
79.05488	3.1
81.03427	4.3
81.07050	2.5
83.04945	1.5
85.02895	1.6
91.05482	6.6
93.07048	3.7
95.04990	4.9
95.08610	2.4
97.06560	0.7
103.05466	45.7
105.07021	4.8
107.04916	0.8
107.08591	2.4
109.06496	1.5
109.10127	1.2
109.84493	0.6
115.05453	2.1
116.06282	0.7
116.07086	1.3
117.07028	2.3
119.08602	3.4
121.06490	2.7
123.07990	1.2
125.05983	0.8
128.06235	1.6
129.07047	3.3
131.04929	100.0
131.08545	4.7
132.05280	1.4
133.06468	2.6
133.10158	1.0
135.08070	1.5
135.11746	0.7
139.03911	1.6
141.07002	2.3
142.07782	1.0
143.08569	2.6
145.06464	5.0
147.08080	1.9
149.05956	1.1
153.07053	0.7
155.08537	1.8
156.09378	1.5
157.06500	1.6
157.10138	2.8
159.04474	0.8
159.08058	5.7
159.11781	0.8
161.06012	1.5
161.09636	1.6
163.07559	1.7
165.05534	0.6
166.07813	0.8
169.06474	1.4
169.10133	2.3
171.08011	2.0
171.11697	1.9
173.09673	1.0
175.07571	1.4
179.08533	0.9
181.10133	1.3
182.08760	0.8
183.08086	1.4
183.11662	0.8
185.09576	1.6
187.07553	3.0
189.05479	1.1
189.09142	1.1
193.10156	1.6
195.08110	1.2
197.06104	0.7
197.09633	2.3
199.11176	1.9
201.05525	0.8
201.09039	1.0
203.06976	1.1
205.08571	1.2
205.10286	0.8
207.08035	0.8
207.11758	1.4
209.09630	1.2
211.07414	0.7
211.11223	0.7
213.09145	1.4
213.12727	1.1
215.06963	1.3
217.08507	4.9
217.10385	0.8
218.10925	1.0
219.10178	2.1
221.13293	1.0
225.09155	2.0
229.08432	1.2
230.10867	1.0
231.11719	1.1
233.08104	0.9
245.13269	1.1
247.09604	8.3
261.12827	0.8
263.14465	0.9
265.10519	1.0
271.14456	0.7
275.14249	1.0
285.10928	0.9
289.12311	0.8
291.13635	0.7
303.12769	0.9
315.10477	0.7
333.14825	1.0
349.13095	2.0
375.16193	1.5
397.16342	0.7
403.15448	1.2
417.16382	0.9
421.15540	1.1
441.26059	0.8
463.17511	1.5
481.18665	1.0
487.30478	3.0
497.17865	1.8
505.31726	3.0
553.21271	0.9
565.20789	1.4
583.21539	2.7
631.25201	0.8
713.25604	2.2
731.26935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
58.27717	0.2
61.09463	0.2
67.05503	1.1
69.03425	0.5
69.24168	0.3
70.74979	0.3
77.03933	1.0
79.05489	1.6
81.03419	1.2
81.07079	0.4
83.04994	0.3
85.02901	0.4
91.05490	2.0
93.07060	1.4
95.01373	0.3
95.04973	5.3
95.08579	0.6
97.02884	0.5
102.04691	0.7
103.05473	52.7
104.05812	0.7
105.04500	1.3
105.07038	4.3
107.04967	1.2
107.08614	0.4
109.06521	0.8
111.04441	0.5
112.70876	0.3
115.05466	1.5
116.06191	0.3
116.10962	0.2
116.48393	0.3
117.07014	1.1
119.04966	0.6
119.08595	1.0
121.06514	1.1
123.04456	0.6
123.08092	0.8
125.06001	0.9
128.06223	1.3
129.06993	1.6
130.35988	0.3
131.04935	100.0
131.08540	1.9
132.05276	1.0
133.06505	4.6
133.10143	0.5
135.04433	0.5
135.08022	1.5
137.05956	0.8
139.03961	0.4
141.07016	1.1
142.07811	1.2
143.08560	2.8
144.08070	0.4
145.06477	1.9
145.10135	0.7
147.08055	0.9
149.05995	1.1
149.09619	0.4
151.07597	0.6
152.33221	0.3
153.06909	0.5
154.07803	0.5
155.04932	0.4
155.08539	1.6
156.09349	1.9
157.06493	0.9
157.10156	1.4
158.07294	0.6
159.08078	2.4
159.11745	0.6
161.05986	10.0
161.09567	0.7
163.07590	1.9
165.05545	0.4
165.06921	0.5
166.07819	0.5
167.08583	1.0
169.06476	1.4
169.10141	2.0
170.10925	0.4
171.04335	0.3
171.08009	1.6
171.11687	2.3
172.08806	0.4
173.05939	0.7
173.09686	0.7
173.13278	0.4
175.07585	1.2
177.05409	0.5
177.09108	0.3
179.07050	1.3
179.08578	1.1
181.06496	0.4
181.10100	1.2
182.07288	0.5
183.08081	1.7
183.11699	0.6
184.08823	0.8
185.05988	0.8
185.09634	1.6
187.07535	1.7
187.11214	0.8
189.05515	0.5
189.09087	0.8
192.09352	0.4
193.10124	0.6
195.08090	1.1
195.11755	0.5
196.08835	0.5
197.06009	0.7
197.09630	3.4
198.10345	0.7
199.07530	1.5
199.11198	10.2
201.09114	0.8
203.07001	0.4
205.08591	0.6
205.10265	0.4
207.08084	0.7
207.11777	0.3
208.08836	0.3
209.09613	1.0
211.07536	0.9
211.11209	1.0
213.09106	2.2
215.07007	0.8
215.09007	0.3
215.10619	1.7
217.08591	1.2
217.10399	0.3
217.12212	0.3
219.11971	0.4
221.09650	0.6
221.13025	0.3
223.07697	0.6
223.11226	0.9
225.09096	7.0
227.07010	0.8
227.10721	1.0
229.08571	0.8
229.12263	0.4
229.46930	0.3
231.10023	0.5
233.07922	0.6
233.09891	0.6
235.07591	0.5
235.11328	0.4
237.08957	0.4
237.12694	0.5
239.06955	0.3
239.10738	0.6
241.08588	2.4
243.06570	0.5
243.10081	1.5
245.07996	0.5
245.11629	0.4
246.08682	0.3
247.09480	1.4
249.09065	0.5
251.06961	0.3
251.10670	0.9
253.08401	0.6
253.12270	0.7
255.10179	0.9
257.08038	4.3
257.11462	1.3
259.09534	2.3
262.09747	0.3
263.10812	0.5
267.10196	1.2
269.08176	0.3
271.09695	1.3
273.11136	0.6
275.09207	0.3
275.14362	0.6
277.15717	0.4
279.10248	0.4
281.11700	0.4
283.09796	0.4
285.11136	3.6
287.14148	0.5
291.10126	0.4
291.13660	0.5
301.10574	2.1
301.15714	0.4
303.12460	1.2
309.11304	0.6
311.13800	0.3
313.12045	0.4
313.15933	0.3
315.13834	0.4
317.15173	0.3
319.11932	1.1
325.11908	0.3
327.13144	0.4
329.15384	0.4
331.12866	0.3
331.16785	0.4
333.15021	0.6
339.13434	0.3
355.13257	0.4
357.14810	0.9
359.16275	1.2
363.16019	0.5
367.13275	0.4
373.14017	0.7
375.15582	0.8
377.17566	0.7
381.16940	0.4
385.09207	0.3
385.14087	1.3
387.14383	2.4
391.15213	0.6
395.18567	0.8
401.13901	0.6
403.13937	4.0
405.15717	1.2
413.13428	0.4
417.16785	0.7
421.16263	1.0
423.16296	0.6
431.14774	0.7
433.16519	1.3
435.18036	0.6
439.17264	0.4
445.16415	0.8
449.15964	1.0
451.17606	1.3
463.17450	3.6
469.18719	1.4
477.17059	0.3
481.18567	3.8
487.17780	0.3
505.18655	0.5
523.19971	0.3
533.18091	0.5
535.19617	1.6
547.19324	1.2
553.20465	0.4
555.22266	0.4
565.20715	2.7
583.21704	5.0
601.22382	1.3
619.21765	0.3
713.25513	1.1
731.26526	1.0
749.27875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
63.51112	0.6
67.05500	1.6
69.03431	0.8
70.78717	1.7
70.79057	0.6
77.03891	0.7
77.16640	0.6
79.05497	3.0
81.03408	2.2
83.04958	0.7
83.22722	0.9
91.04962	0.7
91.05493	2.6
93.07058	1.6
95.01304	0.8
95.04980	7.0
96.64314	0.7
103.05472	48.3
105.04494	0.8
105.07030	7.2
107.04963	1.1
109.06544	1.6
115.05469	2.9
117.07016	2.4
119.04965	1.1
119.08599	1.4
121.06542	1.2
123.04441	1.0
123.08046	0.6
125.06010	1.2
128.06201	1.6
129.06985	1.9
130.67384	0.6
131.04935	100.0
131.08586	1.6
132.05260	1.8
133.06505	9.2
135.04384	0.8
135.08086	1.5
136.11186	0.7
137.06000	2.5
141.06998	2.4
142.07780	2.1
143.08582	4.9
145.06470	3.5
145.10149	0.9
149.05984	1.1
151.07541	1.1
153.07050	1.3
154.07808	0.7
155.08595	1.5
156.09344	3.1
157.06421	0.8
157.10149	2.8
158.07265	1.2
159.08055	3.0
159.11668	0.8
161.05989	21.3
161.09662	1.1
163.07523	3.3
164.99739	0.7
167.08575	1.9
169.06540	1.6
169.10130	3.1
170.10925	1.0
171.08043	2.1
171.11737	3.5
173.06065	1.6
173.09631	1.5
175.07541	1.2
179.07013	2.5
179.08578	1.8
181.06554	0.9
181.10123	1.1
182.07359	1.1
183.08069	4.5
184.08862	2.2
185.05904	1.3
185.09616	3.1
187.07542	2.7
187.11212	0.9
189.09042	0.8
195.08069	1.7
197.05811	1.1
197.09669	6.0
198.10345	1.2
199.07539	2.2
199.11180	16.6
201.05464	0.9
201.09142	2.1
205.08565	0.8
207.08118	0.9
209.09550	1.3
210.06912	1.0
211.07649	1.5
213.09106	3.6
215.07001	1.3
215.10742	2.5
217.08553	1.3
221.09610	0.9
223.07584	1.6
223.11209	1.3
225.05502	1.2
225.09129	12.1
227.10699	1.7
229.08612	1.4
231.09940	0.9
235.11241	0.9
237.09024	0.6
239.10617	1.2
241.08611	4.7
243.10063	3.1
245.08009	1.1
247.09572	1.4
251.10901	0.9
253.08496	1.4
253.12401	0.7
255.10147	1.9
257.08102	7.4
257.11743	2.4
259.09644	3.3
263.10846	1.1
265.08481	1.0
267.10278	2.0
269.08032	0.7
271.09680	1.9
281.11847	1.4
283.09860	0.9
285.11127	5.2
301.10724	2.4
303.12354	2.6
307.10098	0.6
309.11304	1.1
315.13837	0.9
319.11792	2.0
326.50012	0.6
327.12329	0.8
331.17084	1.0
349.18210	0.8
357.14639	1.1
359.16226	0.9
377.17896	1.3
385.14508	1.4
387.14362	4.0
391.15430	0.8
395.18378	1.1
401.13657	0.9
403.13870	8.7
405.16171	2.2
413.13815	1.0
419.15073	0.7
422.15991	1.0
423.16525	1.3
431.14740	1.1
433.16495	1.9
435.18106	0.8
445.16434	1.1
449.16159	1.2
451.17487	2.4
463.17487	7.3
469.18671	2.3
481.18729	6.8
515.17181	0.9
523.19617	1.0
533.18097	1.4
535.19757	3.9
547.19879	1.0
553.20306	1.9
565.20612	5.2
583.21686	16.1
584.22174	1.1
601.22931	2.0
609.23669	1.0
695.24829	1.2
713.25726	4.7
731.26965	5.6
749.27826	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	784.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
63.76485	0.7
67.05499	2.9
70.04649	0.9
77.03925	1.4
79.05497	2.6
81.03410	1.3
81.07043	0.8
82.03419	0.8
87.21803	0.9
91.05484	2.7
93.07050	1.4
95.04967	7.5
103.05472	49.0
105.04535	1.3
105.07033	6.1
107.04928	1.1
107.08595	1.1
109.06517	1.9
115.05470	2.9
117.06998	1.4
119.04956	1.1
119.08575	2.3
121.02859	0.9
121.06511	2.4
123.04436	2.6
125.06014	1.9
128.06195	1.1
129.06969	3.0
131.04932	100.0
131.08577	2.6
132.05276	1.1
133.06470	7.6
135.08054	1.4
139.03876	1.1
141.06995	1.6
142.07780	1.2
143.08563	2.6
145.06505	3.3
145.10156	1.2
147.08141	1.0
149.06030	2.3
154.07776	1.3
155.08598	1.2
156.09314	1.2
157.06487	1.3
157.10164	2.4
159.08029	3.3
161.06009	11.9
161.09650	1.6
163.07549	3.7
165.06969	0.9
167.08607	1.5
169.06494	3.0
169.10120	2.0
171.08063	2.2
173.06020	2.0
175.07582	1.6
177.05484	1.0
179.07077	1.1
181.10127	1.1
182.07341	1.2
183.08061	3.3
184.08788	1.0
185.05948	1.3
185.09605	2.9
187.07556	4.6
189.09100	1.7
195.08099	1.2
197.05956	1.6
197.09666	5.2
198.10373	1.2
199.07394	1.7
199.11172	2.2
201.09123	1.0
203.07066	1.8
205.08643	1.5
207.08049	1.7
209.09581	1.1
211.07628	1.9
213.09152	3.4
215.06938	1.1
215.10628	1.3
217.08615	2.0
219.10194	0.9
223.07623	0.9
223.11256	1.5
225.09109	16.8
227.10594	1.1
229.08571	1.7
235.09686	1.8
237.09087	0.9
238.09485	1.0
241.08560	4.1
243.10037	1.6
245.08070	1.8
247.09586	2.1
251.10663	1.0
253.08469	1.0
255.10094	1.6
257.08102	5.1
257.11536	1.5
259.09622	1.9
263.10886	1.0
267.10092	2.5
271.13965	0.8
273.11371	2.0
279.10242	1.2
283.09314	1.2
285.11258	3.8
301.10782	2.1
303.12225	1.0
343.13187	1.3
349.13052	1.4
385.14417	1.7
387.14337	1.9
391.15244	1.0
403.14294	4.8
417.16940	1.2
419.14874	1.2
430.16510	1.0
431.14853	1.4
433.16394	1.0
445.16455	2.4
449.15878	0.9
451.17636	2.5
463.17526	5.0
481.18652	7.6
497.18356	1.0
533.18335	1.4
535.19641	1.7
547.19592	1.6
565.20514	6.3
583.21655	11.4
629.23486	1.1
678.89752	1.0
695.24762	1.4
713.25519	3.7
731.27032	6.9
732.26776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
57.03432	0.5
65.03954	0.4
67.05503	1.4
69.03448	0.8
77.03935	1.0
79.05495	2.4
81.03425	2.2
81.03852	0.3
81.07067	0.7
83.01326	0.5
83.04993	0.4
84.10597	0.3
85.02909	0.6
88.46839	0.3
90.57609	0.3
91.05490	3.8
93.01195	0.4
93.07064	1.6
95.01311	0.7
95.04984	7.2
95.08600	1.2
97.02912	0.7
97.06554	0.5
99.96351	0.4
103.05479	49.0
105.03407	0.5
105.04548	0.7
105.07040	7.2
107.04955	2.2
107.08572	0.9
109.06551	1.5
110.46834	0.3
111.04433	0.7
115.05458	3.0
117.07071	2.3
119.04947	1.2
119.08605	1.7
121.02826	0.4
121.06489	2.0
123.04417	0.9
123.08052	1.0
125.05993	1.2
128.06232	2.1
129.07008	2.9
131.04939	100.0
131.08562	3.4
132.05278	1.1
133.06499	8.1
133.10129	0.5
135.04420	1.2
135.08075	1.5
135.43219	0.3
137.05981	1.9
139.03926	0.5
141.06999	2.3
142.07785	1.7
143.08582	3.9
145.06494	3.3
145.10135	0.7
147.04465	0.5
147.08069	1.1
149.05984	1.7
149.09605	0.4
151.03917	0.4
151.07588	0.8
152.06218	0.7
153.05513	0.5
153.06972	0.6
154.07817	1.3
155.06093	0.5
155.08600	1.7
156.09361	3.1
157.06528	1.7
157.10103	2.6
158.07257	1.2
159.04408	0.5
159.08072	3.8
159.11670	0.8
161.05997	16.6
161.09628	1.2
162.06694	0.7
163.07570	3.1
165.05461	0.9
165.07040	1.0
166.07762	0.7
167.08607	1.6
168.09373	0.7
169.06482	2.1
169.10139	3.1
170.07268	0.7
170.10861	0.6
171.08069	2.9
171.11705	3.2
172.08823	0.8
173.06015	1.4
173.09663	1.6
175.07578	1.5
177.05576	0.6
177.09111	0.6
178.07823	0.5
179.07280	1.8
179.08580	1.6
180.09380	0.6
181.06563	0.7
181.10155	1.4
182.07324	1.0
183.08070	2.5
183.11674	0.8
184.08899	2.6
185.06006	1.2
185.09628	2.7
186.06783	0.5
187.07570	3.1
187.11130	0.9
189.05553	0.7
189.09090	1.3
191.10582	0.3
192.09402	0.6
193.10121	0.8
194.10965	0.5
195.08081	1.4
195.11713	0.7
196.08835	1.0
197.05963	0.9
197.09659	5.7
198.06970	0.4
198.10378	1.4
199.07562	1.9
199.11195	13.5
201.09094	1.3
203.06973	1.4
205.08598	0.9
207.08051	1.2
207.11673	1.1
208.08813	0.4
209.09706	1.5
209.13264	0.5
211.07626	1.7
211.11140	1.3
213.05481	0.5
213.09117	4.1
215.07001	1.2
215.10609	2.4
217.08440	1.7
219.08232	0.6
219.10075	0.7
220.12199	0.4
221.09624	1.3
223.07523	1.2
223.11162	1.5
225.05618	0.6
225.09126	13.6
225.12529	0.5
226.09755	0.5
227.07002	0.8
227.10663	1.5
229.08577	1.1
230.11060	0.5
231.10127	0.9
233.07875	1.6
234.10432	0.5
235.07471	0.5
235.11336	0.7
237.08957	0.5
239.06946	0.4
239.10646	1.2
239.14275	0.4
241.08530	4.1
243.06459	0.7
243.09973	2.1
245.07907	0.8
247.09485	2.0
249.09138	0.6
250.09894	0.4
251.06926	0.7
251.10663	0.9
251.14656	0.5
253.08344	1.6
253.12274	0.7
255.09978	2.0
257.08081	6.1
257.11545	2.3
259.09564	3.5
260.12064	0.5
263.10886	0.7
263.14050	0.6
265.08365	0.8
267.10043	1.6
269.08041	0.6
271.09399	1.6
273.11295	1.0
277.08450	0.4
279.10144	0.6
279.13736	0.3
281.11853	0.5
283.09491	0.9
285.11078	3.8
286.13690	0.4
287.14279	0.4
288.11401	0.5
291.13928	0.5
293.11874	0.5
293.15198	0.4
299.14224	0.4
301.10623	2.5
303.12341	1.8
305.15442	0.4
309.11044	0.8
313.11774	0.4
313.15723	0.4
315.13687	0.7
317.15002	0.5
319.11728	1.5
325.12195	0.5
329.11450	0.5
329.15228	0.8
331.16928	0.8
339.13281	0.4
343.13129	0.5
345.14545	0.4
347.16422	0.6
349.13068	0.5
349.17996	0.6
355.12921	0.4
357.14365	1.3
359.16238	1.0
367.13455	0.4
373.14261	0.6
375.15894	0.7
377.17279	1.0
385.14105	1.4
387.14404	3.1
391.15125	0.6
401.13705	1.0
403.14005	5.5
405.15588	1.2
413.13629	0.5
419.14761	0.5
421.16254	1.0
423.16391	0.5
431.14648	1.2
433.16260	1.1
435.18130	0.5
445.16348	1.5
449.15756	0.9
451.17426	2.7
453.18958	0.5
463.12018	0.4
463.17633	5.3
464.17773	0.4
469.18683	0.4
481.18393	3.5
497.17706	0.5
499.19736	0.6
533.17590	0.5
535.19684	2.9
537.20880	0.6
547.19537	0.9
551.18872	0.6
553.20947	1.6
565.20813	4.4
583.21667	7.3
601.22156	0.7
695.24377	0.7
713.25726	2.4
731.26855	2.0
749.27594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.6
55.05510	2.7
56.58902	0.7
57.03437	1.4
57.60304	0.6
61.02922	1.2
65.57222	0.7
67.05514	4.5
69.03418	2.9
69.07072	1.2
70.06596	1.2
70.83062	1.8
71.04994	1.8
77.03941	1.1
79.05518	5.2
81.03426	9.3
81.07040	3.8
83.04998	2.8
83.08614	1.5
84.08155	5.9
85.02923	2.2
91.05484	7.0
93.07074	3.7
95.04974	14.3
95.08598	2.6
97.02891	2.8
97.06523	1.0
99.04454	0.9
100.07618	0.9
103.05475	51.9
104.05779	0.8
105.04527	1.0
105.07039	10.0
107.04939	2.6
107.08600	2.3
109.02861	1.9
109.06509	2.7
111.04474	0.9
115.05470	3.1
117.07031	3.0
119.04967	1.3
119.08597	4.5
121.02826	0.9
121.06534	3.0
123.04415	2.2
123.08047	0.8
127.03933	0.9
128.06232	2.6
128.07109	0.8
129.07018	2.9
131.04938	100.0
131.08580	5.4
132.05240	1.3
133.06499	6.8
133.10153	2.3
135.04379	0.9
135.08075	2.8
135.11711	0.8
136.06213	1.6
137.05997	1.9
139.03876	0.7
139.07562	0.7
141.07013	2.0
142.07808	2.6
143.08585	5.7
145.06491	3.5
145.10118	2.1
146.08101	0.9
147.04453	0.9
147.08093	2.4
147.11696	1.6
149.06023	2.4
149.09612	0.9
151.07556	0.9
152.06236	0.7
153.06956	1.4
153.59561	0.8
154.07814	1.7
155.08574	2.4
156.09296	3.6
157.06514	2.4
157.10127	4.4
158.07285	1.4
159.08040	5.1
159.11665	1.4
161.06003	16.4
161.09608	1.1
163.07573	3.4
163.11145	0.9
165.06998	1.3
167.07103	1.4
167.08539	2.8
169.06523	2.3
169.10074	3.6
170.10951	0.8
171.08118	3.8
171.11722	4.5
172.08817	1.5
173.05980	1.4
173.09631	3.2
173.13283	1.3
175.07550	1.8
175.11186	1.0
177.05432	1.0
177.09117	1.5
179.07169	1.3
179.08614	2.0
181.10165	1.5
183.08058	3.3
183.11694	2.4
184.08864	2.0
185.05998	1.2
185.09608	4.4
185.13208	1.2
187.07562	4.6
187.11208	0.8
189.05492	0.9
189.09131	1.6
192.09389	0.9
193.10138	1.3
193.12115	1.7
195.08037	2.1
195.11699	1.5
196.08781	0.9
197.05995	1.4
197.09631	5.1
197.13310	0.9
198.10365	1.3
199.07532	5.8
199.11169	9.4
201.05527	1.0
201.09131	2.7
203.06984	1.8
203.10820	1.0
205.08621	1.5
206.10966	0.7
207.06430	1.3
207.08208	0.9
207.11748	1.1
209.09608	2.0
211.07629	1.5
211.11250	1.3
211.13243	1.8
213.09180	6.2
215.07141	1.8
215.10735	2.6
217.08621	3.1
221.13188	1.0
223.07585	1.2
223.11176	1.2
225.05536	2.5
225.09109	7.5
227.07092	2.4
227.10695	1.6
229.08621	1.9
231.10081	1.4
235.11240	0.9
237.09108	1.1
239.07114	0.8
239.10829	1.2
241.08559	6.7
243.06476	0.9
243.10071	3.4
244.07352	0.7
245.08012	1.5
247.09740	2.1
249.07399	4.1
249.12636	0.9
253.08543	1.7
255.10139	1.5
257.08118	21.5
257.11453	1.1
259.09637	14.0
261.11301	2.4
265.10529	1.3
267.16159	1.2
269.08319	0.8
273.12445	0.7
275.09171	1.7
279.10434	0.8
285.11246	2.2
285.17014	1.0
299.10577	1.0
299.13971	0.8
301.10736	15.7
303.12253	4.7
315.12994	0.8
317.15466	0.9
319.11777	3.6
319.16721	0.8
321.13412	0.9
321.46716	0.8
347.16220	0.9
349.17871	1.3
357.14703	1.1
359.16464	1.0
375.15497	0.8
377.17447	1.6
385.14258	2.0
389.13809	0.8
391.15549	0.8
401.13858	2.4
403.15274	2.8
410.24606	0.8
417.16559	0.7
419.14822	1.4
421.15717	3.3
431.15070	2.0
433.16519	0.7
437.14868	0.8
437.50281	0.8
439.16965	0.9
445.16589	2.0
449.16312	0.8
451.17441	1.7
459.27338	1.1
463.17538	6.3
481.18704	6.6
499.19516	2.0
513.17065	0.9
517.20618	2.6
551.19208	3.4
567.18524	3.8
585.30505	0.8
599.21014	1.5
617.21710	1.0
729.24994	2.5
747.26184	7.1
765.27356	5.3
783.40747	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	782.541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.5
55.05515	24.3
55.81785	2.0
57.03438	8.4
57.07064	5.1
65.03934	4.4
67.05507	77.1
67.09293	1.8
69.03425	3.6
69.07070	16.8
69.54842	10.7
69.55242	2.9
69.90430	1.7
70.34848	1.6
71.04983	4.9
71.08631	3.3
74.09705	5.6
79.05496	64.1
81.03400	3.5
81.07061	78.8
83.04984	6.3
83.08624	11.6
85.06538	5.4
85.10154	1.6
91.05486	100.0
93.07049	62.8
95.04958	7.6
95.08611	45.5
97.06541	11.0
97.10164	6.1
98.21502	1.9
99.08102	4.3
103.03889	1.9
103.05482	2.6
105.04477	1.8
105.07037	44.9
107.04955	3.1
107.08601	30.1
109.06497	5.0
109.10165	13.2
111.08076	6.2
115.05434	2.1
116.06202	1.6
117.07024	47.5
119.08591	32.7
121.06488	2.5
121.10139	28.3
123.08097	4.5
123.11726	2.9
125.09604	4.0
127.07243	1.7
128.06215	1.8
129.06989	12.9
131.08574	44.1
133.10146	37.4
135.08089	12.2
135.11679	15.9
137.09595	5.3
139.11192	2.7
141.06955	3.0
143.08580	11.5
145.10124	38.0
147.11685	17.1
149.09601	11.2
149.13260	6.9
151.11197	2.9
155.08565	3.3
157.10104	11.9
159.11682	23.5
161.09578	3.6
161.13272	7.6
163.11186	8.3
163.14844	2.0
169.10179	4.1
171.11694	12.5
173.13319	11.9
175.11247	4.0
175.14815	1.8
177.12782	13.5
179.14359	2.7
183.11758	5.2
185.13274	2.9
197.13284	5.9
207.11612	1.6
213.16367	1.7
227.12808	4.5
229.19415	2.4
231.17598	1.8
239.17987	13.3
247.85995	1.7
257.19046	27.3
259.20563	2.2
265.83673	1.6
273.18411	2.7
275.20065	45.9
283.15369	4.4
305.21121	2.6
313.21625	2.3
313.27435	3.7
331.22684	20.1
334.24438	1.8
337.23505	1.8
349.23734	81.6
363.25418	3.8
367.24747	16.5
381.26456	16.3
423.27542	12.2
435.71255	1.7
441.28433	21.4
521.38458	2.7
522.38580	4.3
523.39655	2.5
545.25336	2.3
605.27277	4.6
623.42810	8.1
641.43726	4.4
671.45050	14.0
689.45660	5.9
697.47192	9.7
715.36353	2.4
715.47717	28.1
729.49530	8.1
746.47919	1.7
747.50391	14.1
783.45898	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	782.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	20.2
57.03428	10.9
57.07071	5.5
65.03933	5.3
67.05507	77.5
69.07078	19.3
71.04979	7.1
71.08622	3.4
71.56491	3.0
74.09692	4.0
78.48649	2.3
79.05495	64.0
81.03416	5.4
81.07059	85.5
83.04983	10.8
83.08608	13.8
85.02901	3.7
85.06532	7.1
91.05480	100.0
91.61974	2.4
93.07045	74.3
93.72786	2.2
95.04966	10.4
95.08605	48.0
97.06544	12.9
97.10126	4.5
99.08031	4.0
105.07024	50.1
107.04939	3.6
107.08594	32.4
109.06519	5.9
109.10167	13.2
111.08018	6.0
115.05489	3.6
117.07009	49.4
119.08586	41.1
121.06507	4.5
121.10136	31.4
123.08053	4.6
123.11726	4.1
125.09612	3.4
128.06311	2.3
129.05309	2.2
129.06995	8.9
131.08565	53.2
131.91068	2.3
133.10141	44.3
135.08061	12.4
135.11707	21.0
137.09642	5.6
142.07925	2.5
143.08566	10.4
145.10126	38.0
145.43910	2.7
147.11678	16.7
149.09619	9.2
149.13257	8.1
151.11261	3.0
155.08505	3.3
157.10094	14.3
159.11711	23.3
161.09676	4.4
161.13258	8.1
163.11165	10.1
165.12614	2.4
169.10144	6.2
169.23044	2.5
171.11653	13.6
173.13301	11.2
175.11237	2.8
177.12700	15.4
183.11705	7.2
185.13213	4.5
191.14336	3.0
213.16341	2.9
224.12875	2.2
227.12628	4.0
228.13344	2.2
229.19611	3.8
239.17999	13.1
256.86368	2.3
257.19046	23.8
275.20053	52.2
283.15372	6.0
293.21262	3.2
313.27481	4.8
323.22040	4.2
331.22568	19.4
349.23727	62.7
367.24957	11.5
381.26352	13.9
415.19098	4.0
423.27386	12.7
429.20609	6.0
441.28491	13.7
443.22220	3.8
463.92123	2.8
473.23279	2.9
485.23132	4.0
488.34534	2.5
521.38501	5.8
522.38776	5.6
545.25336	27.0
573.24518	7.6
605.27545	46.6
606.27734	5.9
623.42969	6.1
641.43188	4.0
671.45294	14.6
679.45483	3.2
689.45508	8.3
697.46320	12.4
715.47638	27.3
729.49084	9.7
747.50464	23.4
782.44965	9.1
783.46167	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	781.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05394	0.7
55.05643	0.7
57.03289	0.7
57.03585	0.8
59.04879	0.4
61.02757	2.2
61.03110	2.2
66.04081	0.4
67.05318	4.1
67.05731	3.2
67.71955	0.4
69.03252	1.3
69.03658	0.8
69.06947	0.4
69.07249	0.4
71.01196	0.3
71.04829	0.7
71.05177	0.7
71.55038	0.4
73.02721	2.0
73.03178	1.3
74.09564	0.7
74.09938	0.5
79.05292	1.3
79.05788	0.8
81.03215	1.1
81.03736	0.6
81.06847	1.9
81.07383	1.0
83.04801	0.4
83.08459	0.4
83.08896	0.4
85.02695	2.8
85.03265	1.3
91.03734	2.5
91.04360	0.9
91.05296	0.9
93.06829	2.0
93.07472	0.7
95.08380	1.9
95.09045	0.5
97.02666	4.1
97.03368	1.3
99.04277	0.8
99.04853	0.5
101.02148	1.5
103.03787	0.3
105.06878	0.7
107.08385	1.0
107.09052	0.6
109.02672	0.7
109.09912	5.7
109.10723	1.2
111.07883	0.5
115.03748	0.5
118.99187	0.3
119.08324	1.1
119.09097	0.4
121.09966	0.7
121.10707	0.3
127.03654	1.2
131.08359	0.4
133.09937	0.6
145.04770	0.7
145.09923	0.7
155.10367	0.4
173.11440	1.8
185.03944	1.0
195.09567	1.0
209.11363	0.4
229.14064	1.2
243.08385	2.1
251.12373	0.4
335.25696	0.6
413.17850	12.5
519.29266	5.9
521.38190	0.5
691.40302	100.0
692.40497	2.6
707.26514	0.4
735.42084	0.7
763.42639	0.5
781.43048	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	780.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.0
55.05515	74.3
59.90891	1.9
67.05511	5.1
69.03426	8.5
69.07069	2.8
70.06602	13.8
74.09691	2.7
74.43018	1.9
79.05490	7.8
80.19176	2.0
81.03393	2.5
81.07066	7.0
82.02948	7.0
83.01389	3.3
83.04986	100.0
84.04494	2.4
86.06072	9.3
87.04470	6.0
91.04993	2.7
91.05479	16.2
93.07045	10.6
95.01337	2.1
95.04989	6.1
95.08623	2.9
96.08113	2.3
98.06062	56.2
98.06673	4.0
98.21509	6.5
103.05495	5.0
105.07024	17.0
107.04983	3.0
107.08604	4.6
109.06516	5.3
115.05460	11.0
117.07019	28.2
119.04961	2.1
119.08568	18.4
121.02881	5.6
121.06507	3.6
121.10135	2.3
122.06039	9.2
124.07602	6.2
128.06224	5.4
129.07005	8.0
131.04922	7.5
131.08563	15.9
133.06488	7.8
133.10127	17.2
134.07271	2.2
135.08076	3.4
137.05975	3.8
140.07060	5.4
141.06981	6.6
142.07794	8.0
143.04918	4.9
143.08559	17.5
145.06490	17.7
145.10129	13.2
147.08080	9.7
147.11673	3.3
149.05963	4.1
149.09674	4.3
150.05544	10.8
152.07124	2.6
152.66068	2.8
153.07053	3.4
155.08559	11.6
156.09329	10.8
157.06529	4.7
157.10147	23.1
159.08128	12.8
159.11688	7.3
161.05997	4.9
161.09602	9.8
162.06755	2.8
163.07550	3.1
163.11182	3.5
165.07011	4.9
167.08597	6.6
168.06607	15.3
168.09433	3.0
169.10150	15.7
170.10912	11.3
171.08061	10.6
171.11687	46.8
172.12463	3.3
173.05965	6.4
173.09610	11.1
173.13321	3.8
174.06825	4.2
175.11079	4.8
177.05516	2.6
177.09261	2.6
179.08630	3.6
181.10168	8.0
183.08087	6.5
183.11713	33.2
185.09666	8.7
185.13269	43.6
185.14847	3.1
187.07552	2.9
187.11174	6.2
193.10159	7.1
194.10817	2.8
195.08073	2.8
195.11688	8.9
196.12384	3.0
197.09586	10.1
197.13239	9.8
198.10391	6.9
199.07602	2.3
199.11212	23.9
200.10693	6.6
201.09196	3.7
201.12767	5.1
202.12337	9.9
203.10684	4.3
206.10890	4.6
207.11670	5.5
208.12450	2.4
209.09656	7.7
209.13097	2.1
211.11171	11.0
213.09215	4.3
213.12758	53.2
217.10243	3.5
217.12181	4.5
218.10822	2.3
219.11742	5.9
221.09671	3.2
221.13380	2.5
223.11208	8.9
225.09203	3.4
227.10625	2.9
228.10138	3.7
229.10243	3.5
230.11845	19.1
231.11736	8.1
231.13837	4.6
232.12473	2.8
235.11253	3.1
235.14960	2.6
237.12778	2.4
241.12270	7.2
243.11665	9.7
243.13857	4.8
244.12497	5.4
245.09587	3.9
245.13255	6.9
245.15446	21.1
246.11359	2.7
246.14018	4.6
247.11208	3.9
247.14874	4.9
248.12859	13.5
249.12814	3.8
251.14394	2.5
254.11073	3.4
255.11533	4.6
255.13922	5.3
256.09769	4.1
256.12488	3.8
257.13257	4.5
258.11218	7.1
258.13989	3.7
259.11081	4.2
259.14828	9.4
260.12781	2.3
260.15646	3.9
261.12769	6.5
261.16443	3.5
267.11688	6.7
269.13196	4.4
271.14597	4.0
272.11954	2.5
272.15509	2.5
273.12354	3.0
273.14798	22.4
274.10706	6.6
274.13452	3.1
275.14352	4.7
276.12225	3.4
277.15833	3.5
281.12854	2.1
282.14120	4.9
283.14847	3.2
284.15640	4.2
285.12732	2.9
285.16367	6.0
286.13733	3.1
287.14423	10.7
287.17548	3.1
288.14880	2.3
289.12143	2.9
289.15607	3.1
296.15613	2.7
297.12927	5.1
297.16360	5.6
299.14325	6.3
301.12332	3.6
301.15836	9.3
302.16611	4.4
303.17361	3.5
309.12689	4.1
311.17819	5.3
313.15961	4.7
314.16565	2.5
315.13901	2.7
315.17624	3.7
327.17526	5.5
329.18964	6.6
331.16879	3.7
333.17731	3.2
339.17499	7.2
341.19006	3.3
343.16919	3.7
345.18372	2.7
347.16437	3.2
355.17041	3.4
357.18494	7.8
359.16336	3.2
360.17191	2.3
371.20093	3.2
373.17981	3.9
375.19751	3.0
385.17953	2.9
387.19714	2.9
389.20908	3.1
403.18903	3.2
417.20526	4.4
419.18533	3.8
424.22604	3.8
428.22223	6.8
433.20419	2.5
442.23767	10.1
449.23065	2.7
452.22342	4.5
458.23123	3.7
470.23264	25.3
484.24509	3.4
488.24313	20.0
490.25717	3.6
492.27209	2.9
502.25861	17.0
509.70108	2.2
520.27087	37.5
538.27930	9.4
548.26514	20.5
555.25629	2.9
580.29486	11.2
598.30560	4.2
648.31531	18.7
651.31854	14.6
666.32684	4.6
669.32281	5.0
671.30475	3.3
680.34039	4.1
730.35773	4.2
748.37134	10.9
762.38074	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	780.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.3
57.24023	0.6
60.08195	0.7
63.31911	0.5
67.05499	1.1
67.16059	0.5
69.03433	1.1
69.07074	1.2
70.06588	1.2
72.04504	0.6
74.09724	1.1
79.05501	1.5
81.07086	1.1
83.04997	2.2
86.06102	1.2
91.05492	1.6
93.07058	1.4
95.05058	0.6
95.08617	0.8
98.06067	1.9
103.05501	1.2
104.07123	0.9
105.03416	1.1
105.07050	1.3
107.04965	0.8
116.07110	0.9
117.07020	1.4
119.08592	4.0
121.10162	1.2
128.06184	0.7
129.07024	1.0
131.04959	1.8
131.08607	1.5
133.06554	1.0
133.10170	0.9
135.08121	0.6
136.07677	0.7
142.07785	1.2
143.08577	2.9
144.77065	0.6
145.06552	1.7
145.10181	1.8
147.08121	1.6
149.09674	0.9
155.08565	1.1
156.09367	1.4
156.24707	0.6
157.10110	3.8
159.08084	2.5
159.11633	0.8
169.10201	2.2
170.10957	2.2
171.08076	5.4
171.11713	7.3
173.09695	2.1
181.10182	1.1
183.08054	1.5
183.11690	4.9
184.08907	0.8
185.09657	2.1
185.13257	6.4
191.05544	4.9
198.10522	2.6
199.11201	3.3
200.11981	2.0
201.12706	0.7
207.11760	0.6
211.11186	0.6
213.12750	29.5
214.13103	0.6
217.08607	0.6
228.50308	0.6
231.10262	2.4
231.13936	1.4
235.33676	0.6
241.12202	1.2
255.13855	0.7
268.09531	1.7
269.10248	13.8
269.13019	1.2
270.11032	12.0
273.14838	7.6
273.17389	0.7
333.17053	0.8
357.16809	1.5
381.16458	1.1
395.18326	0.6
417.18918	2.9
457.22156	2.1
512.24219	1.4
542.25104	5.5
583.34894	0.6
602.27191	1.7
642.30524	2.0
684.31775	1.0
702.32336	5.4
752.48657	0.9
762.34540	33.7
763.34247	1.5
780.35657	100.0
781.35815	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	780.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.4
55.05524	2.0
58.06593	0.5
60.08168	0.9
67.05505	1.0
69.03416	0.5
69.07071	0.9
70.06588	1.7
74.09719	1.1
77.90027	0.4
79.05474	1.0
81.03398	0.5
81.07069	1.0
82.02944	0.7
83.05002	2.6
86.06085	1.2
89.76303	0.5
91.05503	1.3
93.07063	1.3
95.04944	0.7
98.06065	1.8
98.21528	1.1
103.05476	1.1
104.07124	1.2
105.03400	0.5
105.07037	1.6
107.08607	0.6
114.05516	0.6
117.07010	0.7
119.08602	3.6
121.06512	0.5
121.10132	0.8
128.06293	0.7
129.07013	0.7
131.04947	1.1
131.08583	1.4
132.05290	0.6
133.06557	0.9
133.10144	0.9
142.07796	0.6
143.08571	2.7
145.06516	1.9
145.10150	1.4
147.08073	0.9
155.08586	1.2
156.09367	1.6
157.10127	3.6
159.08101	1.5
159.11743	0.5
161.09743	0.5
165.06979	0.5
167.08533	0.6
168.06653	0.5
169.10188	1.5
170.10921	1.7
171.08060	5.2
171.11684	5.5
172.08791	0.6
173.09657	1.6
175.11223	0.4
179.06793	0.4
181.10184	0.7
183.08121	0.7
183.11703	2.9
185.09691	1.6
185.13252	5.5
191.05556	3.6
197.09694	0.7
198.10484	1.8
199.07675	0.7
199.11182	3.4
200.12076	1.4
201.12885	1.0
209.09714	0.5
211.11192	0.5
213.12756	23.8
214.13074	0.5
217.08759	0.7
223.11183	0.7
223.14795	0.5
231.10104	2.3
231.13872	0.8
241.12381	0.7
245.15466	0.5
268.09644	1.5
269.10251	10.8
269.13019	0.9
270.11026	10.0
273.14865	4.6
285.70642	0.5
317.13760	0.5
333.16998	0.7
357.16776	0.7
368.14951	0.6
377.16147	0.7
381.16635	0.9
394.16434	0.5
397.20044	0.6
415.17566	0.6
417.18671	2.5
455.20853	0.7
457.22098	1.8
512.23932	1.0
515.22528	0.8
524.24298	1.3
542.25250	4.0
560.26367	0.6
602.27142	1.9
642.30450	1.3
662.29205	0.7
684.31842	0.9
702.32422	4.8
744.33038	0.9
762.34589	34.7
763.34924	1.4
780.35669	100.0
781.35889	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
55.05502	1.2
57.03447	2.0
61.02928	5.1
67.05512	4.3
69.03426	3.2
69.07065	0.9
71.05005	1.1
71.05446	0.7
73.02914	4.1
79.05506	3.2
81.03435	2.6
81.07058	4.8
81.37112	0.3
83.04966	0.5
83.08612	0.6
85.02910	4.7
85.06561	0.3
87.04494	0.7
91.03948	3.3
91.05489	2.6
92.53139	0.3
93.07042	3.9
95.04974	0.6
95.08611	2.8
97.02895	4.9
97.06518	0.5
99.04467	0.7
101.02364	1.8
105.07030	1.7
107.08592	2.1
109.02918	0.7
109.06521	0.4
109.10167	1.0
113.39007	0.3
115.03927	0.7
116.75167	0.4
117.06914	0.3
119.08605	1.6
121.10134	1.9
123.11707	0.6
127.03931	1.3
129.07130	0.3
131.08586	1.4
133.10146	0.9
135.11728	0.8
137.13268	0.4
145.10161	0.5
147.11700	0.9
149.09651	1.1
157.10164	0.5
161.13338	0.5
175.11183	0.6
185.04266	0.4
187.79076	0.3
193.12318	0.5
200.56221	0.3
233.11540	0.5
243.08418	2.7
267.16061	0.8
283.15192	6.5
335.25790	0.9
339.17709	0.6
363.24918	0.3
469.20505	0.5
501.23026	7.2
519.29364	8.5
718.52063	0.4
731.14276	0.4
742.83582	0.3
752.45490	0.4
779.45520	100.0
780.45691	4.0
794.65216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
55.05309	0.5
55.05517	5.8
55.31740	0.6
57.51478	0.5
61.02918	0.9
67.05500	1.9
69.03414	1.4
69.07066	0.7
71.56018	0.6
73.02911	0.5
79.05508	4.0
81.03410	2.1
81.07037	2.9
83.04984	8.4
85.02898	1.5
91.03977	0.5
91.05487	4.2
93.07030	2.3
95.04988	3.1
95.08614	3.4
97.02893	1.0
99.04443	0.8
103.05471	45.7
105.04542	1.1
105.07040	6.6
107.04948	1.5
107.08602	1.9
109.06512	1.2
115.05477	1.6
117.06995	2.5
119.04948	1.3
119.08607	3.6
121.06518	1.3
123.08060	2.1
128.06183	1.4
129.07004	1.5
131.04933	100.0
131.08574	2.4
132.05264	0.9
133.06503	5.6
133.10155	1.8
135.08070	1.4
137.05995	1.2
137.07245	0.5
141.07031	0.8
142.07805	1.6
143.08545	3.6
145.06494	1.6
145.10115	1.9
146.07301	0.5
147.08061	1.0
149.06020	1.6
149.09621	2.3
151.07582	3.3
153.07019	0.6
154.07787	0.7
155.08572	1.6
156.09303	2.8
157.06532	0.7
157.10129	5.9
158.07263	1.0
159.08095	2.6
159.11702	3.7
161.05989	11.5
161.07266	1.0
161.09634	1.2
163.07513	1.4
165.07013	0.8
166.07828	1.3
167.08531	0.7
169.06479	1.2
169.10089	2.8
170.10915	1.2
171.08105	1.7
171.11714	6.6
172.08940	1.0
173.06032	0.7
173.09630	1.2
173.13280	1.3
178.07819	0.6
179.07047	2.2
179.08505	1.1
181.10143	2.4
182.07358	0.6
183.08069	3.1
183.11613	3.0
184.08862	2.8
185.06006	2.2
185.09517	2.6
187.07535	2.2
187.11209	1.7
189.09091	0.6
191.08627	0.6
193.08476	0.8
193.10193	0.9
195.08115	0.7
195.11607	0.7
197.09657	5.8
197.13341	1.1
199.07587	1.0
199.11180	11.1
201.09042	0.8
201.12753	0.8
203.07056	0.8
207.06421	0.7
207.11748	2.1
208.08717	0.6
209.09583	6.6
211.07681	0.7
211.11212	1.2
213.09114	1.1
215.10669	1.7
217.08606	1.5
217.12183	0.9
219.11783	0.9
221.13326	1.0
223.14926	0.7
225.09114	3.6
227.10652	12.7
229.12315	1.7
230.10915	1.0
231.13782	1.1
232.12489	0.8
233.13278	1.6
233.15413	0.9
235.11417	0.7
235.14813	0.8
237.09079	1.2
243.10075	1.4
244.12402	1.0
245.11794	2.0
247.14879	1.1
249.12730	0.6
249.16469	1.3
255.10074	0.6
258.14026	1.3
259.09662	1.6
259.15036	0.7
260.08817	0.7
260.12015	0.6
261.11234	1.3
261.16580	0.7
263.14581	0.6
263.17822	0.8
272.08231	0.5
273.16333	0.8
277.15826	1.1
285.11362	0.9
287.12714	8.7
289.15872	0.9
301.15915	0.7
303.12207	0.9
305.14041	0.8
317.15417	0.7
319.16949	1.8
323.20145	1.0
329.15549	1.1
331.16818	1.1
333.18646	0.6
343.16864	0.6
345.18521	0.7
347.16464	1.5
349.18100	0.9
351.19720	0.7
359.16403	0.9
361.18115	1.1
365.17441	0.7
367.18921	1.1
375.15866	4.3
377.17410	1.0
379.19046	1.1
387.16022	1.9
403.19229	1.3
405.16803	1.6
407.18704	1.3
421.20160	1.2
425.19418	0.8
428.50687	0.6
431.18726	0.6
435.17941	4.2
439.21198	0.9
447.18140	1.8
449.19510	0.7
453.22760	0.7
465.18921	2.9
469.19910	1.1
481.22458	0.7
583.22424	1.0
595.23175	0.6
613.24103	4.0
779.41821	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
59.39743	0.4
65.03909	0.4
67.05506	1.2
69.03423	0.9
71.55606	0.5
72.17992	0.5
75.08097	0.4
77.03934	1.0
79.05501	2.5
80.82888	0.4
81.03427	1.5
81.07052	0.9
83.01359	0.4
83.04993	0.7
91.05489	3.3
93.07046	1.7
95.01266	0.4
95.04967	4.0
95.08614	0.6
97.06550	0.3
102.04648	0.7
103.05474	55.2
105.04514	1.2
105.07029	4.3
106.90845	0.4
107.04954	2.2
107.08611	0.7
109.02871	1.3
109.06525	0.9
109.73126	0.4
115.05470	1.1
117.07071	1.3
119.04968	0.5
119.08582	4.3
121.06534	1.2
121.10164	0.9
121.38299	0.4
123.04472	1.1
123.08047	0.5
128.06242	1.4
129.07019	1.5
131.04935	100.0
131.08588	3.1
132.05275	1.1
133.06516	1.2
133.10114	2.6
135.04433	1.0
135.08017	0.9
137.06018	0.5
141.07013	1.4
142.07750	0.8
143.08588	3.4
144.08101	0.4
144.09311	0.5
145.06476	1.0
145.10144	1.7
147.08063	1.5
149.05986	2.2
151.07451	0.4
153.07045	0.9
154.07768	0.7
155.08595	1.2
156.09329	3.1
157.06491	0.9
157.10153	2.4
158.07277	0.8
159.04436	0.9
159.08066	3.0
159.11745	0.8
161.05984	1.4
161.09676	1.6
163.07547	0.9
165.07027	0.8
166.07788	1.5
167.08611	1.4
168.09367	1.1
169.06540	1.2
169.10118	2.6
170.07292	0.4
170.10994	0.9
171.08063	1.7
171.11681	5.1
172.08876	0.8
173.06009	0.5
173.09634	1.6
173.13252	0.7
175.07553	0.6
177.05493	1.5
179.07034	0.6
179.08546	0.9
181.10152	2.5
182.10944	0.6
183.08139	1.9
183.11710	2.4
184.08847	2.2
184.12389	0.5
185.06009	1.2
185.09604	4.4
186.10437	0.5
186.32060	0.4
187.07526	1.4
187.11177	0.9
189.09074	1.0
191.06989	0.7
191.08603	0.8
192.09277	0.7
193.10155	1.6
193.75436	0.6
194.10905	0.6
195.08029	0.6
195.11685	1.1
196.08778	0.5
197.09619	4.9
198.10461	1.2
199.07536	0.9
199.11185	8.1
200.12015	3.3
201.09081	0.9
201.12711	1.3
203.06956	0.9
203.10706	0.5
205.10202	0.5
206.11000	0.4
207.11722	1.5
208.12450	0.5
209.09634	4.0
209.13333	0.7
210.10442	1.3
211.07558	0.9
211.11220	3.1
212.08333	1.1
212.12009	0.4
213.09117	1.1
213.12732	0.7
215.10666	1.1
217.08562	4.5
217.10323	0.6
217.12114	0.5
219.10022	0.8
221.13356	1.2
222.10464	0.5
223.11160	1.6
225.09120	2.9
225.12642	0.9
227.10669	21.9
229.10213	0.7
229.12082	0.9
231.10158	1.7
231.12054	0.6
233.09503	0.7
233.13405	0.7
234.13985	0.5
235.11192	0.8
236.11961	0.6
237.09113	1.4
237.12723	0.8
239.10698	1.6
241.12253	1.0
245.07954	1.0
245.11584	5.1
246.14056	0.6
247.09364	0.7
247.11511	0.6
247.14870	0.6
248.11955	0.4
249.11302	1.4
251.10606	0.8
253.12242	1.2
255.09943	0.7
257.11743	1.7
259.15045	0.5
260.12036	0.4
261.12756	0.5
262.13428	0.5
265.12402	0.6
267.10281	0.4
267.13937	0.7
269.11737	2.7
271.13364	1.5
275.10638	0.7
275.14240	0.9
277.12268	1.0
277.15958	0.9
285.11078	0.6
287.12756	13.1
291.13910	0.6
293.11841	0.5
297.91669	0.5
299.14529	0.5
302.12866	0.6
303.13626	0.8
305.13754	6.5
315.13776	0.8
319.16959	0.5
331.16794	0.7
333.14743	0.7
341.15488	0.6
345.14798	1.5
347.16150	0.7
349.17999	0.6
357.15070	0.7
359.16342	1.7
361.17911	0.6
363.15756	0.9
365.17328	1.2
369.14584	1.0
371.14978	0.7
373.14346	0.6
375.15778	0.7
377.17441	1.7
384.50531	0.4
387.15930	2.7
391.15161	0.5
397.14148	0.6
405.16956	3.5
415.15369	1.5
419.18594	0.7
423.17911	1.5
433.16391	1.6
435.17938	1.3
437.19482	0.7
447.18134	5.4
453.19000	0.9
465.19147	7.5
483.19824	2.4
509.21643	0.9
519.19824	0.7
595.23273	0.4
613.24377	4.2
631.25256	0.5
718.76593	0.5
779.42029	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	778.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14439	4.8
55.05521	54.3
60.02149	5.6
60.12204	5.1
67.05496	10.1
68.99792	12.1
69.07070	9.2
69.24454	18.5
69.24875	28.9
70.06591	24.1
79.05492	14.2
81.07059	17.1
83.04983	98.6
91.05469	24.9
93.07037	22.5
95.04974	8.8
95.08595	11.7
100.07602	7.2
103.05458	26.4
105.07043	30.3
107.08617	8.1
109.10175	9.4
115.05437	10.1
116.07102	19.0
117.07038	19.8
119.08615	44.7
121.06554	7.1
121.10212	5.8
128.06224	8.3
129.07004	10.5
131.04939	26.3
131.08537	21.4
133.06491	12.6
133.10150	28.9
135.08008	6.9
142.07758	14.6
143.08597	27.0
145.06505	11.6
145.10115	20.2
146.08124	16.2
147.08057	11.9
148.49713	5.8
149.05984	11.1
149.09656	9.3
153.07037	7.7
155.08551	13.5
156.09358	20.4
157.06511	6.9
157.10150	51.0
159.08083	17.4
159.11749	12.2
161.09668	14.9
163.07565	29.9
163.11298	10.4
165.09096	5.7
166.07742	5.4
167.08453	6.8
168.09352	10.2
169.10112	32.1
170.10910	17.3
171.08107	18.6
171.11699	100.0
172.03961	17.5
173.09639	25.6
177.05513	11.5
177.09106	16.1
179.08549	6.4
181.10117	11.1
183.08174	5.9
183.11720	56.3
184.07321	11.9
184.08797	5.4
185.09622	21.1
185.13266	61.1
187.07587	6.4
187.11197	7.8
189.08983	7.6
191.07054	20.0
193.10097	8.0
195.11777	11.0
197.09641	13.2
197.13208	9.2
198.10503	11.3
199.11237	34.4
200.11926	7.5
201.08940	6.8
201.12727	9.3
203.07050	7.2
204.06575	38.8
205.12183	6.4
207.11749	9.1
209.13286	6.7
211.11208	29.6
213.12747	73.0
215.10725	7.2
218.07872	7.0
219.11697	6.1
220.12352	6.5
221.13420	7.7
229.12236	10.1
231.09950	7.6
231.13776	10.2
233.13350	9.7
235.14957	5.6
241.12338	8.5
243.11719	9.5
243.13911	13.4
245.15378	45.5
247.14969	10.0
253.14426	13.0
255.13835	14.1
257.13315	7.1
258.14114	9.4
259.10818	24.3
259.15112	11.9
261.12787	5.9
268.12439	7.1
269.13272	6.0
270.13980	9.3
271.15155	6.6
273.14813	35.3
275.14032	6.4
282.14169	5.6
283.14844	7.7
285.12698	11.1
285.16077	9.8
286.13577	8.2
287.14182	7.0
299.14362	9.9
301.11887	14.4
301.15775	11.0
310.13937	12.0
311.14551	7.6
314.12952	6.9
315.13916	6.8
315.17313	14.7
319.13019	22.0
319.16632	8.7
325.15985	8.2
328.14578	5.6
329.15387	16.1
331.16754	9.9
333.18158	7.7
343.16937	29.4
345.14853	6.5
347.16223	12.5
357.14523	13.0
357.18497	12.1
361.17944	20.1
371.16336	16.5
373.18314	8.2
375.19604	9.1
385.18152	14.0
389.17471	19.7
403.19229	27.9
405.20645	10.0
413.17584	9.0
417.20639	17.2
421.20074	24.0
431.18634	28.7
435.21793	12.5
445.20065	9.8
449.19708	43.6
453.22476	27.0
463.21118	50.8
481.22198	92.2
509.21814	16.8
523.22046	6.8
530.24738	9.3
536.27203	6.2
537.24036	7.3
541.24530	60.4
545.34210	6.6
556.23340	8.3
591.25598	12.7
601.26593	13.2
614.33087	6.6
637.28827	10.9
638.73175	6.7
710.16174	6.5
778.34546	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	777.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
65.03949	0.4
65.46474	0.2
67.05504	1.3
69.03435	0.5
69.53719	0.7
69.54133	0.6
77.03909	1.0
79.05489	1.2
81.03416	1.3
81.07057	0.4
85.02972	0.2
91.05496	2.5
93.07047	0.8
95.01311	0.3
95.04975	5.4
95.08612	0.4
97.02910	0.4
102.04691	0.4
103.05476	50.2
104.05803	0.5
105.03421	0.2
105.04527	1.1
105.05167	0.2
105.07043	3.8
107.04968	1.1
107.08606	0.4
109.06549	0.5
111.04414	0.3
115.05456	1.6
116.07096	0.3
117.07008	1.3
119.04942	0.7
119.08603	0.9
119.79707	0.2
121.02816	0.4
121.06533	1.2
121.07253	0.2
123.04456	1.1
123.08117	0.3
125.06017	1.0
128.06216	0.8
129.07051	1.4
131.04938	100.0
131.08571	1.3
132.05222	1.1
133.06499	3.9
133.10129	0.3
135.04413	0.4
135.08080	1.2
137.05992	0.5
139.03906	0.3
141.07021	1.1
142.07770	0.8
143.08554	1.2
144.05666	0.2
144.08124	0.5
145.06490	1.6
145.10130	0.4
146.07153	0.2
147.04424	0.4
147.08032	0.7
149.06026	1.1
149.09668	0.5
151.07562	0.3
152.06253	0.3
153.05515	0.2
153.06989	0.6
154.07751	0.8
155.08606	0.9
156.09361	0.4
157.06473	0.8
157.10129	0.7
158.10614	0.2
159.04446	0.3
159.08078	1.7
159.11723	0.5
161.04617	0.4
161.05988	7.8
161.09589	0.5
163.07562	2.3
165.05563	0.2
165.07057	0.6
166.07724	0.4
167.08551	1.0
169.06516	1.0
169.10123	1.8
170.07256	0.3
170.10970	0.4
171.08110	1.3
171.11720	0.4
172.08829	0.4
173.06018	0.9
173.09721	0.5
175.07550	0.8
177.05540	0.4
177.09164	0.6
178.07767	0.4
179.07043	0.7
179.08575	1.5
180.09373	0.3
180.72006	0.2
181.06490	0.2
181.10156	0.4
182.07204	0.4
183.08069	1.3
184.08821	0.4
185.06004	0.8
185.09621	1.6
187.07561	2.0
187.11192	0.6
188.08311	0.2
189.05525	0.4
189.09108	0.7
191.07014	0.4
191.08675	0.2
193.10126	0.5
195.08083	1.0
196.08813	0.4
197.05946	0.7
197.09624	2.9
198.06833	0.4
198.10469	0.5
199.07626	1.0
199.11180	0.9
201.05518	0.2
201.09119	0.6
203.07033	0.6
203.10762	0.2
205.08519	0.9
205.10269	0.3
207.08067	1.3
207.09967	0.3
207.11826	0.3
208.08871	0.4
209.05989	0.3
209.09583	1.0
211.07700	1.0
211.11137	0.4
212.08354	0.3
213.05487	0.3
213.09122	2.1
214.09804	0.4
215.06969	0.7
215.10622	0.8
217.08534	1.1
219.08105	0.3
219.10023	0.5
221.09627	0.5
222.10338	0.3
223.07599	1.2
223.11197	0.6
224.08290	0.4
225.05623	0.4
225.09120	6.0
226.09752	0.4
227.06956	0.4
227.10645	0.9
229.08548	0.7
231.06410	0.3
231.10112	0.4
233.07872	0.3
235.07484	0.8
235.09450	0.4
235.11406	0.4
236.08383	0.4
237.09143	0.4
239.06775	0.3
239.10712	0.7
241.08577	2.3
243.06570	0.3
243.10059	1.3
245.08018	0.7
247.07356	0.3
247.09538	1.8
249.09012	0.6
250.13199	0.2
251.06987	0.5
251.10681	0.7
253.08578	0.9
253.12296	0.3
255.09903	1.0
257.08060	3.5
257.11758	0.7
259.09567	1.7
262.09726	0.3
263.10684	0.3
265.08826	0.3
265.12253	0.3
267.10086	1.1
269.08002	0.5
269.11887	0.3
271.09564	0.3
272.11954	0.3
273.11292	0.3
277.08502	0.3
279.10126	0.5
281.08151	0.3
281.11832	0.3
283.09604	0.5
285.11258	2.8
289.12170	0.3
291.10242	0.4
293.11636	0.4
294.08801	0.2
299.10547	0.4
301.10690	2.1
303.12286	0.8
307.09537	0.5
309.11050	0.3
313.12167	0.5
315.13840	0.3
325.12354	0.5
339.13138	0.3
341.15256	0.3
342.12335	0.3
343.13269	0.6
357.14651	0.7
358.15244	0.2
359.15250	0.5
361.14481	0.4
367.13376	0.5
373.14392	0.5
375.15903	0.7
385.14410	1.6
389.13708	0.4
391.15344	0.8
401.13660	0.6
403.15533	1.6
413.13898	0.5
417.17029	0.4
419.14853	0.5
421.16425	0.8
431.14825	0.8
433.16611	1.1
435.17807	0.5
437.15805	0.3
445.16510	1.3
449.16150	1.0
451.17584	1.5
463.17578	4.4
470.17242	0.3
481.18524	2.8
533.19318	0.3
551.20422	0.4
569.21497	0.5
579.19983	0.3
583.22687	0.2
593.21466	1.0
599.22382	0.9
611.22546	1.9
629.23816	4.2
699.26038	0.3
717.27051	1.0
759.27319	0.4
777.40546	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
60.94360	0.2
61.27624	0.2
65.03957	0.4
67.05502	1.8
67.05795	0.2
68.20313	0.2
71.55320	0.2
71.55669	0.3
73.23129	0.2
77.03938	0.7
79.05504	1.5
81.03427	0.8
81.07069	0.5
83.04989	0.3
85.02914	0.3
91.05483	2.4
93.07053	0.9
95.01328	0.2
95.04979	4.9
95.08618	0.3
97.02888	0.4
97.06553	0.2
102.04690	0.7
102.22470	0.2
103.05479	47.8
104.05821	0.3
105.03395	0.3
105.04522	0.9
105.07044	2.9
107.04955	0.7
107.08620	0.7
109.06544	0.5
109.10190	0.3
111.04445	0.7
115.05470	1.3
116.06290	0.5
117.07037	1.2
119.04974	0.6
119.08613	0.8
121.02841	0.4
121.06516	1.5
123.04441	1.8
125.06019	1.3
128.06236	0.8
129.07022	1.2
131.04941	100.0
131.08566	2.5
132.05264	1.2
133.06512	2.8
133.10130	0.6
135.04417	0.6
135.08052	2.0
137.05984	0.5
139.03905	0.7
141.07013	0.9
142.07762	0.4
142.32611	0.2
143.08586	1.6
144.08116	0.5
145.06503	2.0
145.10165	0.4
146.07230	0.2
147.04436	0.4
147.08067	0.7
149.06007	2.0
149.09630	0.7
151.07568	0.3
153.01926	0.2
153.05501	0.4
153.06949	0.5
154.07793	0.5
155.08549	0.5
157.06509	1.0
157.10117	0.4
158.07272	0.3
159.08110	2.5
161.06007	4.2
161.09619	1.2
162.06689	0.3
163.07567	4.3
165.05582	0.4
165.07054	0.6
166.07857	0.3
167.08521	0.3
169.06487	1.3
169.10165	0.9
171.08054	1.4
171.11731	0.4
173.06079	0.5
173.09645	0.5
174.06778	0.3
175.07587	0.7
177.05499	0.4
177.09122	0.9
179.08549	0.5
180.09293	0.3
181.06509	0.4
181.10165	0.4
182.07251	0.5
183.08081	0.6
185.06020	0.6
185.09628	0.5
186.06783	0.3
187.07555	2.7
189.09088	1.2
191.06985	0.3
191.08630	0.3
193.10165	0.5
195.08066	0.5
195.11726	0.3
197.05960	0.6
197.09659	1.3
199.07532	1.0
199.11227	0.8
201.05473	0.3
201.09138	0.6
203.07071	0.6
205.08600	1.4
205.21815	0.2
207.08211	0.5
207.10164	1.1
207.11800	0.2
208.08881	0.2
209.09662	0.7
211.07523	0.5
211.11293	0.2
213.09145	0.8
215.07019	0.5
215.10611	0.4
216.09537	0.3
217.08530	1.8
219.08122	0.3
219.10127	0.5
221.09756	0.5
223.07561	0.4
223.11209	0.6
225.05649	0.3
225.09145	2.7
227.06993	0.4
227.10695	0.7
229.08598	0.7
233.07791	0.3
233.09787	0.5
235.07565	0.5
235.09569	2.1
237.09059	0.6
239.10602	0.6
241.08556	0.6
243.10165	0.7
245.08127	0.8
247.09627	2.2
249.09042	0.7
250.09935	0.2
251.10686	0.9
253.08447	0.3
253.12233	0.4
255.10196	0.6
257.08185	0.7
259.09726	0.3
262.09946	0.2
263.10727	0.6
265.08395	0.4
267.10236	0.6
269.07858	0.3
269.11798	0.4
270.10489	0.3
271.09402	0.3
275.09055	0.4
278.09360	0.4
279.10141	0.9
281.11774	0.4
285.11389	0.9
291.10187	0.2
293.11792	0.5
295.09488	0.3
298.09830	0.2
301.11026	0.3
307.09799	1.1
307.12921	0.3
309.11252	0.8
311.13275	0.2
313.12042	0.5
315.13409	0.5
321.11060	0.4
322.11987	0.5
325.12198	0.9
327.09906	0.3
327.13708	0.3
329.14169	0.6
331.13171	0.4
339.12994	0.2
340.13147	0.4
341.11612	0.2
343.13336	0.8
345.14621	0.2
355.13156	0.3
357.14761	0.7
359.14902	0.7
361.14484	0.5
367.13214	0.5
371.12869	0.6
373.14365	0.7
375.15848	0.5
379.15213	0.2
383.12723	0.3
385.14459	2.1
389.13797	0.3
391.15317	0.6
395.13690	0.4
401.13547	0.4
403.15472	1.6
413.13849	1.0
417.17117	0.4
419.15140	0.5
421.16245	0.4
427.15698	0.3
431.14911	1.0
433.16284	0.7
435.18066	0.4
445.16473	1.0
449.15927	0.4
451.17422	0.6
463.17657	2.1
470.16962	0.3
481.18527	1.7
487.17282	0.4
488.17825	0.3
533.19434	0.3
537.18964	0.3
551.20447	0.9
579.20026	0.6
593.21417	0.7
594.24609	0.3
599.22534	0.3
611.22876	1.3
629.23273	1.0
759.27881	0.3
777.40863	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
55.47200	0.4
57.03418	0.5
67.05498	1.3
69.03425	0.4
69.07074	0.4
69.99442	0.3
76.69650	0.3
77.03933	0.5
79.05492	2.0
81.03413	1.2
81.07056	1.0
83.04967	0.5
84.70689	0.3
91.05488	3.2
93.07040	2.0
95.04965	4.7
95.08599	0.7
102.04691	0.6
103.05470	51.5
105.04540	0.9
105.07034	3.3
107.04959	0.5
107.08585	0.8
109.06509	0.5
109.10173	0.4
110.58313	0.4
111.04392	0.6
115.05463	1.4
116.06231	0.4
117.07013	1.5
119.04935	0.6
119.08588	1.5
121.06504	1.5
123.04429	0.7
125.06004	0.9
128.06229	1.4
129.07019	1.4
131.04930	100.0
131.08557	2.7
132.05327	1.1
133.06470	1.9
133.10191	0.7
135.04454	0.4
135.08047	1.1
139.03894	0.8
141.07001	1.4
142.07793	0.4
143.08554	1.9
144.08098	0.4
145.06479	1.6
145.10106	0.5
147.08044	1.2
149.05978	1.4
149.09630	0.8
153.06955	0.6
155.08572	1.1
156.09328	0.3
157.06473	0.6
157.10074	0.8
158.07274	0.6
159.08040	3.5
159.11665	0.4
161.05974	1.8
161.09633	1.1
163.07510	2.5
165.05539	0.4
165.06992	0.7
167.08559	0.5
169.06483	1.0
169.10110	1.1
170.05211	0.4
171.08040	1.6
171.11665	0.5
173.09625	0.6
175.07466	0.9
177.09081	0.7
178.07684	0.5
179.06969	0.5
183.08055	0.9
183.11688	0.6
185.05963	0.6
185.09633	0.9
187.07547	2.0
189.09114	1.1
191.08569	0.4
193.10193	0.5
197.05946	0.6
197.09599	1.3
199.07584	1.1
199.11137	0.8
201.09059	0.5
203.07030	0.9
205.08665	1.8
207.10034	0.5
207.11772	0.6
209.09526	0.5
210.10054	0.4
211.11154	0.6
213.09113	0.6
215.06929	0.6
215.10648	0.4
217.08464	2.3
219.10129	0.6
220.12453	0.4
223.07764	0.4
223.11415	0.3
225.09106	1.6
227.10577	0.7
229.08302	0.5
229.10291	0.5
230.10765	0.5
231.11832	0.5
235.09631	1.6
237.09073	0.4
241.08533	0.5
245.13100	0.6
247.09589	4.3
249.08894	0.4
253.10120	0.4
263.10474	0.5
265.10345	0.5
301.12155	0.4
303.12302	0.4
304.04279	0.4
307.09497	0.4
313.12061	0.5
314.22580	0.4
315.13620	0.6
317.11868	0.4
319.11566	0.4
325.11749	0.4
327.13959	0.6
331.13144	0.6
339.13895	0.6
341.14828	0.4
343.13022	0.7
357.14926	1.0
359.15912	0.3
367.13519	0.4
373.14407	0.4
385.14325	1.3
395.14905	0.6
401.13571	0.4
403.15207	1.1
413.13824	0.8
419.15091	0.5
421.16272	0.7
431.14816	0.6
433.16345	1.1
435.18106	0.5
445.16479	1.0
449.16360	0.4
451.17410	0.5
463.17355	1.5
467.17340	0.5
481.18457	1.5
593.22028	0.7
611.22504	0.8
629.23633	0.9
759.27344	0.4
777.27161	0.6
777.40515	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	777.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06867	0.1
55.01884	0.9
55.05487	0.2
57.03429	0.1
65.03947	0.3
67.05511	1.1
69.03430	0.4
69.19093	1.2
69.19505	0.3
77.03910	1.0
79.05498	1.1
81.03422	0.9
81.07063	0.5
83.01352	0.3
85.02905	0.2
87.35260	0.2
91.05495	2.2
93.07061	0.9
95.01350	0.3
95.04977	4.6
95.08643	0.3
95.16687	0.2
97.02898	0.4
102.04695	0.6
103.05476	49.6
104.05801	0.3
105.04507	0.8
105.07040	3.3
107.04976	0.9
107.08614	0.4
107.51146	0.1
109.06516	0.6
111.04456	0.3
111.54142	0.2
115.05453	1.3
116.06280	0.2
117.07039	1.6
119.04954	0.5
119.08586	0.8
121.02882	0.2
121.06519	1.2
123.04449	0.6
125.05985	0.8
128.05354	0.1
128.06236	0.9
129.07014	1.5
130.07838	0.2
131.04938	100.0
131.08571	1.4
132.05238	1.0
133.06502	3.7
133.07343	0.1
133.10075	0.2
135.04443	0.7
135.08052	1.2
137.05966	0.5
139.03900	0.4
141.06996	1.0
142.07791	0.8
143.08557	1.1
144.05614	0.2
144.08095	0.5
145.06496	1.7
145.10130	0.4
147.04413	0.4
147.08075	0.5
149.06023	1.1
149.09605	0.2
151.07579	0.4
152.06169	0.4
153.05577	0.2
153.07008	0.5
153.78734	0.1
154.07767	0.6
155.06113	0.1
155.08565	0.8
156.09380	0.5
157.06548	0.9
157.10130	1.0
158.07285	0.4
158.10983	0.1
159.04425	0.2
159.08064	1.9
159.11722	0.4
161.05995	6.4
161.09593	0.8
162.06735	0.4
163.07553	2.1
165.05577	0.3
165.07007	0.6
166.07800	0.4
167.07220	0.2
167.08504	0.8
169.06483	1.1
169.10147	1.4
170.07230	0.2
170.10880	0.3
171.08084	1.3
171.11653	0.4
172.08888	0.3
173.06004	1.1
173.09654	0.5
175.03949	0.2
175.07494	0.7
177.05458	0.3
177.09161	0.4
178.07697	0.3
179.07022	0.6
179.08577	1.1
180.09363	0.3
181.06531	0.4
181.10144	0.6
182.07251	0.7
183.08107	1.3
183.11754	0.2
184.08891	0.4
185.05997	0.6
185.09598	1.3
187.07590	1.6
187.11165	0.6
189.05521	0.3
189.07587	0.1
189.09102	0.7
191.07056	0.4
192.09297	0.2
193.10175	0.6
194.07303	0.3
195.08055	0.9
195.11784	0.3
196.08815	0.6
197.05862	0.7
197.09645	2.8
198.06776	0.2
198.10461	0.2
199.07541	1.2
199.11172	1.5
201.05370	0.2
201.09134	0.8
202.07813	0.2
203.07007	0.7
203.08734	0.2
205.08528	1.2
205.10046	0.2
207.08061	1.1
207.10103	0.3
207.11880	0.2
208.08821	0.4
209.06018	0.3
209.09621	1.1
210.10374	0.2
211.07571	1.2
211.11157	0.5
212.08319	0.2
213.05679	0.3
213.09137	1.8
214.09943	0.2
215.06973	0.8
215.08830	0.2
215.10582	0.7
217.08533	1.4
217.10222	0.1
219.06412	0.2
219.10194	0.5
221.09637	0.5
223.07654	1.1
223.11183	0.7
224.08195	0.2
225.05649	0.3
225.09114	5.6
225.12567	0.3
226.09752	0.2
227.06973	0.5
227.10637	0.7
229.08620	0.6
229.12222	0.2
231.06425	0.2
233.07918	0.7
233.13164	0.2
235.07492	0.8
235.09689	0.8
236.08199	0.2
237.09157	0.7
239.06903	0.3
239.10693	0.4
241.08562	1.8
242.10904	0.2
243.06464	0.3
243.09998	1.3
244.12556	0.2
245.07959	1.0
245.98059	0.1
247.09575	1.6
249.09100	0.4
249.12866	0.3
250.09856	0.2
251.07043	0.4
251.10683	0.6
253.08356	0.9
253.12402	0.2
255.10017	1.1
256.12497	0.2
257.08041	3.1
257.11783	0.4
259.09512	1.4
262.13580	0.2
263.10938	0.6
265.08405	0.3
267.09967	0.8
269.07880	0.3
269.11792	0.3
271.09521	0.3
272.11899	0.3
273.08826	0.2
275.10773	0.2
276.15033	0.2
277.08566	0.2
279.10132	0.3
281.11777	0.3
282.10284	0.3
283.09732	0.5
285.08572	0.2
285.11249	2.3
287.13770	0.2
288.11560	0.1
289.08600	0.2
289.12064	0.2
291.10141	0.4
293.11679	0.5
294.08508	0.2
295.09921	0.2
299.10519	0.2
299.13919	0.2
300.11514	0.2
301.10590	1.5
303.12286	0.9
307.09738	0.4
307.13287	0.2
309.11176	0.3
313.12183	0.2
315.09973	0.2
315.13647	0.3
317.11700	0.2
317.15219	0.2
319.12534	0.2
322.11835	0.2
325.11212	0.2
327.13708	0.2
329.15137	0.5
331.13330	0.3
331.16843	0.2
333.14911	0.4
339.13544	0.6
341.15182	0.2
342.12601	0.2
343.13229	0.6
345.10953	0.2
347.16660	0.4
355.13223	0.3
357.14920	0.9
358.15482	0.2
359.15796	0.5
361.14240	0.4
367.13132	0.6
371.12772	0.4
373.14267	0.5
375.15826	0.5
377.17462	0.3
383.13126	0.2
385.14368	1.5
389.13376	0.3
391.15445	0.7
393.16891	0.2
395.14523	0.3
401.13724	0.6
403.15433	1.7
413.13892	0.8
417.16895	0.5
419.14801	0.6
421.16583	0.8
427.15210	0.3
431.14880	1.1
433.16565	1.4
435.18130	0.4
445.16476	1.1
449.16177	1.3
451.17627	1.2
453.18924	0.2
463.17563	4.8
481.18665	2.1
533.19159	0.2
551.20605	0.7
561.19586	0.2
569.21527	0.5
581.21735	0.3
585.21106	0.2
593.22229	0.9
597.20966	0.3
599.22736	0.8
611.22754	2.3
629.23865	4.6
630.22772	0.2
699.25165	0.4
717.26654	0.8
759.28424	0.3
774.86255	0.2
777.27716	0.4
777.40363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05506	0.7
56.52777	0.3
63.16898	0.3
64.73660	0.2
65.03944	0.4
67.05514	2.4
69.03438	0.3
69.07077	0.5
71.05008	0.4
77.03938	0.8
79.05483	1.5
81.03415	1.5
81.07063	1.3
83.04982	0.8
83.08617	0.4
84.08167	0.3
91.05482	2.6
93.07054	1.9
95.01329	0.3
95.04974	4.8
95.08615	1.0
97.02891	0.3
97.06548	0.3
98.21562	0.5
102.04612	0.5
103.05471	51.6
104.05824	0.5
104.35946	0.3
105.03401	0.4
105.04518	1.2
105.07041	4.1
107.04941	0.7
107.08619	0.7
109.06516	0.5
109.10140	0.9
115.05445	0.9
117.07058	1.4
119.04951	0.5
119.08572	0.9
121.02844	0.4
121.06503	1.2
121.10142	0.5
123.04417	0.5
125.05998	1.0
128.06209	0.7
129.06995	1.1
130.08636	0.8
130.15921	0.3
131.04933	100.0
131.08597	1.1
132.05273	1.0
133.06500	2.5
133.10208	0.6
135.04413	0.3
135.07997	1.5
139.74535	0.2
140.58746	0.3
141.06966	0.6
142.07803	0.5
143.08543	1.4
144.08093	0.7
145.06474	1.7
146.08141	0.4
147.04439	0.4
147.11691	0.3
149.05989	1.3
149.09569	0.4
151.03973	0.4
152.06200	0.3
154.07768	0.6
155.08551	0.8
156.09370	0.5
157.06480	0.6
157.10159	0.8
159.04408	0.4
159.08086	1.3
159.11659	0.3
161.05980	5.4
161.09579	0.5
163.07571	2.4
165.05573	0.3
165.06978	0.5
167.08566	0.8
169.06485	1.0
169.10100	1.5
170.10910	0.4
171.08052	0.8
173.06007	0.6
173.09608	0.7
175.07629	0.6
177.05402	0.4
179.07062	0.6
179.08569	0.8
180.09409	0.3
181.06505	0.3
181.10127	0.6
182.07265	0.5
183.08096	1.3
183.11757	0.5
184.07335	0.9
184.08806	0.3
185.05954	0.6
185.09624	1.1
187.07475	1.3
187.11130	0.4
189.05566	0.3
189.09106	0.9
193.10014	0.3
195.08081	1.0
195.11607	0.5
197.05943	0.6
197.09639	2.8
198.06821	0.3
199.07544	1.3
199.11156	1.1
201.09163	0.6
203.06982	0.5
205.08600	0.7
207.08147	0.6
209.05946	0.3
209.09590	0.7
211.11162	0.4
213.09105	1.8
215.07031	0.6
215.10626	0.7
217.08611	1.2
223.07484	0.8
223.11223	0.4
225.05542	0.5
225.09119	5.5
227.07036	0.6
227.10760	0.3
229.08470	0.4
231.10036	0.4
233.07898	0.5
233.13303	0.4
235.07529	0.8
235.09589	0.3
237.09109	0.4
239.10663	0.5
241.08501	1.6
243.06404	0.4
243.10197	1.2
245.08131	0.9
247.09427	1.3
249.09090	0.4
253.08556	0.5
255.10126	0.9
255.15903	0.3
257.08075	3.7
257.10831	0.3
257.11887	0.4
259.09576	1.7
263.10739	0.4
267.09930	0.4
269.07846	0.4
273.11356	0.3
279.10245	0.4
281.11768	0.4
285.11093	2.3
291.09930	0.4
301.10550	1.6
303.12289	1.4
307.09500	0.3
313.12216	0.3
331.12881	0.3
334.94128	0.3
339.13385	0.3
343.13077	0.5
345.14792	0.3
347.16571	0.4
357.14764	0.7
359.16180	0.3
367.12982	0.3
373.14438	0.6
375.15729	0.7
377.17694	0.4
385.14307	1.2
389.13873	0.4
391.15570	0.7
395.14703	0.4
401.13718	0.5
403.15527	1.5
404.55362	0.3
413.13791	0.8
419.14395	0.6
421.16336	0.8
423.27182	0.4
431.14816	0.8
433.16507	0.7
435.17886	0.7
445.16190	1.1
449.15897	1.2
451.17456	0.8
463.11871	0.4
463.17545	3.7
463.59460	0.3
481.18738	2.1
503.33755	0.3
533.19501	0.3
551.20679	0.4
593.21173	0.9
597.20331	0.3
611.22858	2.1
617.39667	0.3
629.23834	3.1
717.26068	0.5
777.29169	0.9
777.42273	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.0
55.05515	44.9
57.03197	1.1
57.03444	16.1
57.07074	3.9
59.04988	3.5
61.02917	3.7
65.03930	3.4
66.80662	1.0
67.05511	100.0
69.03441	3.9
69.06728	1.1
69.07073	17.7
69.50946	0.8
69.58357	5.8
71.01344	1.9
71.04987	4.2
73.02892	0.8
76.76032	0.8
79.05499	52.1
81.03427	6.3
81.07062	60.8
83.04995	6.1
83.08150	1.0
83.08620	17.3
85.02913	16.2
85.06532	3.0
87.04477	6.2
91.03946	2.0
91.05485	27.1
93.07050	44.3
95.04987	4.9
95.08613	42.2
97.02904	4.3
97.06538	5.0
97.10183	20.3
99.08066	1.0
103.03960	1.1
105.07033	15.3
107.04961	1.1
107.08602	28.1
109.02904	0.9
109.06528	2.0
109.10164	53.9
111.04423	1.1
111.08101	4.0
117.07009	8.0
119.08589	17.9
119.09412	0.6
121.06505	2.2
121.09336	1.1
121.10162	20.8
123.08059	2.8
123.11718	6.0
125.09634	19.8
129.07004	2.1
131.08583	10.8
133.10143	10.4
135.08049	1.9
135.11688	12.1
137.09589	3.1
137.13245	1.3
139.11227	1.6
141.07047	1.1
143.08603	1.6
143.10651	3.6
145.10127	9.2
147.07982	1.5
147.11703	6.5
149.09610	1.8
149.13243	6.0
155.08490	0.8
155.10664	5.9
157.10107	1.4
159.11691	6.2
161.13316	4.5
163.11174	5.6
163.14790	2.5
171.11687	2.4
173.09593	1.4
173.10332	1.0
173.11736	11.4
173.13251	4.8
175.11209	0.9
175.14836	2.0
181.12273	1.1
185.13226	1.7
187.14856	3.4
191.10699	1.8
193.12212	2.8
199.13297	10.3
201.16394	1.1
209.11771	4.1
217.14265	1.2
227.12811	7.7
229.14375	47.9
235.17023	0.8
243.21080	4.4
245.13814	2.9
256.34927	0.8
257.13892	1.5
259.20657	2.4
261.22134	13.7
267.16022	4.7
277.21637	1.1
283.15454	2.1
285.17194	0.9
289.21719	1.5
299.23621	1.6
301.16461	16.7
315.23096	1.9
317.24802	2.6
319.17609	1.1
327.23163	1.8
333.24197	1.2
335.25824	73.2
336.26123	1.2
403.31360	0.8
451.32074	1.3
459.34705	2.5
477.35764	10.9
489.35782	15.9
525.35608	1.4
543.36584	4.4
561.37842	10.3
579.38702	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.4
55.05266	2.2
55.05520	34.7
61.41498	1.9
64.69270	1.4
67.05505	2.0
68.24496	1.6
68.89000	1.6
69.07050	1.9
70.06596	3.9
70.94698	1.8
70.95000	1.7
74.06075	2.9
79.05486	4.1
79.79829	1.5
80.05001	1.6
80.43871	1.4
81.07055	5.0
82.02946	4.9
83.04990	58.6
83.64658	1.6
86.09740	1.5
89.14579	1.6
91.05485	6.9
91.17364	1.6
93.07059	4.1
95.05000	3.1
95.08591	2.1
98.06059	9.9
100.07647	2.9
103.05488	3.3
105.07034	7.0
107.04988	2.0
107.08621	3.9
109.10123	2.5
110.05991	2.4
117.07037	5.0
119.08594	10.6
121.06535	2.6
121.10136	3.2
126.05524	53.0
127.07594	5.1
128.06219	2.3
129.06982	3.2
131.04958	3.2
131.08575	5.1
133.10141	11.6
142.07785	2.1
143.08598	6.1
145.06508	3.4
145.10150	5.3
147.08054	3.9
148.79173	1.6
149.09601	2.0
152.07062	1.6
155.08559	3.0
156.09346	6.3
157.10129	9.2
159.08072	4.0
159.11754	5.0
161.09628	6.4
163.11218	2.4
169.10138	4.2
170.10899	3.1
171.08020	3.0
171.11726	17.8
173.09686	4.4
179.08691	2.4
181.10176	2.3
183.11745	14.1
185.09586	2.5
185.13269	23.5
187.11261	3.6
188.10712	21.0
193.10210	2.2
195.11703	4.4
197.09540	2.7
197.13280	2.7
199.11232	9.1
200.10728	2.1
201.12779	3.0
202.12270	2.5
204.10208	3.0
205.10219	2.4
206.11766	17.4
207.11728	2.6
209.09634	2.2
211.11229	6.0
213.12775	26.0
214.08646	2.5
216.10318	2.4
217.12219	2.0
218.11571	1.7
219.11842	3.3
221.13428	2.1
231.11823	2.1
232.13095	1.9
233.13135	2.6
241.12325	3.3
243.11621	2.8
243.13875	2.6
244.12630	3.2
245.13312	3.4
245.15451	6.7
247.14896	4.5
255.13911	2.1
256.13348	2.7
257.13486	1.8
258.14331	1.9
259.14822	8.8
260.12354	2.5
260.15356	2.0
261.12848	3.2
261.16492	2.2
268.13373	1.6
272.12042	2.1
272.15448	1.9
273.14996	7.0
287.14377	4.3
288.15881	7.6
291.17191	2.2
299.56339	1.8
300.15909	2.4
301.15866	4.5
302.16293	2.3
339.17685	1.8
348.15826	1.8
386.21179	4.6
400.22845	4.0
416.22192	2.2
418.23746	3.5
428.22076	10.2
446.23517	10.7
460.25061	8.7
478.25546	8.5
506.25403	5.7
520.26495	2.4
524.26019	3.0
530.29004	2.4
538.27985	2.1
542.28503	2.3
560.30194	4.4
566.27252	9.8
578.31232	4.0
595.28925	2.2
598.30377	3.2
606.30261	1.9
620.32056	3.8
638.33142	3.2
648.31396	3.7
666.32678	29.4
680.34064	14.5
698.35406	100.0
699.35510	5.8
775.36584	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	774.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.9
55.05271	0.7
55.05515	9.9
57.03190	0.9
57.03441	9.0
57.07061	1.8
61.02910	1.7
65.03925	2.0
67.05509	47.8
69.03418	2.2
69.06736	0.7
69.07078	11.7
71.04993	3.0
71.55228	0.7
71.55588	0.6
73.02901	0.7
79.05497	24.7
81.03439	2.3
81.07060	43.2
83.04989	5.4
83.08624	6.3
85.02888	2.0
85.06534	3.5
91.05486	36.0
91.57227	0.5
93.07047	31.6
95.04978	5.2
95.08616	27.1
96.90952	0.4
97.02895	1.6
97.06514	2.6
97.10153	1.8
99.04469	1.2
99.08036	0.5
103.03966	1.1
103.05501	0.7
105.03341	0.5
105.04513	0.9
105.07036	24.7
107.04944	1.2
107.08600	24.9
109.06506	3.3
109.10162	31.1
111.08086	1.7
113.06014	2.2
117.07018	5.6
119.08594	10.1
121.09298	1.0
121.10136	10.6
121.10925	0.9
123.08049	1.3
123.11719	7.7
125.09614	0.9
127.07542	1.5
128.06204	1.5
129.07001	0.6
131.08566	6.2
133.10138	59.9
135.08049	1.5
135.11703	8.2
137.09630	2.0
137.13246	0.7
143.08571	4.9
145.10144	4.0
147.11694	3.9
149.09599	0.7
149.13266	4.1
151.11191	25.2
153.93733	0.5
159.11700	3.2
161.09637	12.1
161.13295	2.3
163.14812	2.2
169.12228	4.3
173.13286	2.7
177.16380	0.7
179.10681	8.4
187.14818	1.1
193.12251	0.9
197.11765	2.9
215.12799	10.9
233.22585	0.9
243.21098	3.8
253.14371	16.1
261.13281	0.8
261.22159	14.3
267.15945	2.0
271.15399	5.3
279.23218	1.2
299.14868	4.3
315.23224	0.6
317.15964	56.9
317.24179	2.8
318.16415	1.4
335.25815	100.0
336.26245	2.1
363.25354	0.7
457.33099	0.7
513.35876	1.6
527.36987	0.8
531.36963	5.3
545.37933	0.9
559.35968	0.8
577.37378	41.1
578.37830	1.8
595.38055	1.0
767.12341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.1
55.05267	1.6
55.05510	22.8
56.92979	1.2
57.03192	1.4
57.03439	21.0
57.07066	3.8
59.05000	1.3
65.03928	2.6
67.05505	71.2
68.94488	1.3
69.03411	3.5
69.07063	18.1
69.29098	3.9
69.29517	8.4
71.04989	3.4
79.05494	49.8
79.77204	1.4
81.03419	93.7
81.07057	66.0
83.04984	6.6
83.08621	26.2
85.02898	2.2
85.06510	2.6
91.05479	35.2
93.07044	52.9
95.04372	2.3
95.04965	31.1
95.08604	46.3
97.02902	4.1
97.06503	4.5
97.10152	8.2
99.08069	2.3
103.05452	1.8
105.07024	30.0
107.04936	8.5
107.08598	31.3
109.06504	4.6
109.10154	24.7
111.04436	2.1
111.08080	8.2
111.11690	1.3
115.05380	1.5
117.07018	9.4
119.08580	26.2
121.06477	4.6
121.10136	28.0
123.08038	3.6
123.11689	6.3
125.09591	5.3
128.06252	2.2
129.07007	10.9
131.08562	23.0
133.06480	3.5
133.10127	14.9
133.52122	1.3
135.08080	2.3
135.11682	15.2
137.09630	4.0
137.13237	2.0
142.07765	2.8
143.08563	4.1
143.45158	1.2
145.10115	13.1
147.08025	4.2
147.11705	15.5
149.09633	6.4
149.13245	8.5
155.08537	1.6
157.10115	14.6
159.11670	8.0
161.13228	4.8
163.11139	3.7
163.14796	3.8
165.12756	3.3
169.10081	1.9
171.11627	1.8
173.13203	8.7
175.11206	9.5
175.14874	2.8
177.16315	1.8
185.13255	1.4
187.14850	3.3
189.11153	3.2
193.12238	27.0
199.14743	2.2
201.16307	1.6
211.13208	2.3
227.12759	9.0
231.20975	1.4
235.13286	1.6
243.21094	5.6
247.16890	1.8
249.14893	2.2
259.13464	1.7
261.22073	20.1
267.15915	100.0
301.14618	1.5
301.25229	8.7
307.18680	1.8
309.16745	2.2
317.24747	4.2
333.24155	1.5
335.25797	91.4
336.26007	1.9
359.25943	2.2
417.26328	1.7
417.31290	1.9
421.25970	2.3
435.27246	4.3
435.32596	7.5
453.33575	8.3
471.34671	4.6
509.36298	2.3
527.37360	71.9
528.36786	2.5
531.90753	1.6
545.38416	60.6
569.38049	6.0
635.39697	2.5
671.40930	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	14.9
55.05266	3.2
55.05513	47.6
57.03436	24.2
57.07073	2.5
60.18580	2.3
61.02915	7.1
63.75022	2.3
65.03934	6.6
67.05508	88.8
69.03439	13.4
69.06720	3.4
69.07072	50.5
71.05002	11.3
73.02905	3.8
74.32384	2.2
77.03922	4.1
79.05495	85.4
81.03420	91.1
81.07059	95.6
81.58803	2.0
82.03741	2.6
83.04984	34.3
83.08620	48.3
85.02909	38.8
85.06538	6.3
87.04485	3.0
91.05482	100.0
93.06477	3.8
93.07049	70.9
95.04976	46.1
95.08614	48.8
97.02898	11.3
97.06523	22.0
97.10165	24.4
99.04486	2.7
99.08083	4.6
100.07607	11.1
103.05489	11.1
105.03378	8.6
105.07030	73.5
107.04969	19.6
107.08595	58.2
109.02853	3.2
109.06537	11.5
109.10168	20.2
111.04459	5.4
111.08069	19.6
113.06005	2.8
115.05434	4.4
116.06186	2.3
117.07027	22.5
119.04955	2.3
119.08585	57.2
121.06494	7.6
121.10142	25.5
123.08086	8.5
123.11694	5.5
123.97374	2.1
125.09636	22.3
127.03909	4.7
129.07010	19.9
130.07675	2.0
131.04935	13.9
131.08565	42.9
133.06497	6.7
133.10130	42.1
135.08034	8.8
135.11688	16.2
137.09604	5.0
141.06981	5.0
142.07805	4.1
143.08553	7.2
145.06503	2.2
145.10114	28.3
146.08115	24.8
147.08064	7.0
147.11694	38.7
149.09636	30.6
149.13246	7.8
151.11133	4.5
153.09094	2.3
155.08517	3.6
157.10141	25.2
159.11696	14.8
161.09659	2.5
161.13257	4.4
163.11163	12.5
165.12740	7.3
169.10158	5.2
171.10365	2.5
171.11690	7.7
173.04440	3.6
173.13235	9.1
175.11189	22.9
177.12758	3.5
179.14310	5.0
181.10146	2.5
181.12201	3.5
183.11720	5.0
185.13263	2.2
187.11214	3.3
187.14894	2.6
189.11272	12.4
193.12239	67.7
195.13841	3.6
197.13255	3.7
211.13283	95.3
213.12781	2.7
227.12788	32.4
229.19559	2.4
239.17809	3.6
249.15070	2.6
255.15836	6.5
257.19003	11.1
267.15924	40.6
269.17490	19.5
273.18356	2.7
275.20044	53.1
285.16986	94.1
293.21088	5.3
321.24301	2.5
331.22662	4.6
349.23724	60.3
367.24362	3.2
381.22580	2.4
419.23846	2.8
425.06192	2.2
437.25479	4.4
439.27023	4.8
439.32834	3.1
447.27261	8.5
455.26221	7.6
461.28995	22.2
463.30646	3.4
465.28357	12.1
479.30048	54.0
523.34552	2.8
541.35291	28.9
559.36316	75.8
577.37012	10.0
747.56250	2.4
756.26306	3.8
774.28741	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	774.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	13.7
55.05514	44.5
57.03442	28.7
61.02934	6.0
64.95788	2.5
65.03945	4.1
67.05510	82.2
67.05867	4.2
69.03435	15.7
69.07072	47.1
71.04989	11.6
71.55627	3.5
79.05495	95.9
79.49330	2.9
81.03423	93.4
81.07061	100.0
83.04983	38.1
83.08621	48.6
85.02909	39.5
85.06532	5.6
91.05484	90.6
93.07050	72.2
95.04971	48.3
95.08610	48.3
95.09168	4.2
97.02899	7.4
97.06522	21.8
97.10168	24.3
100.07632	15.0
100.79028	2.5
103.05469	9.8
105.03399	8.0
105.04516	3.2
105.07032	70.6
107.04964	21.0
107.08601	59.1
109.06591	13.3
109.10154	18.4
111.04417	5.3
111.08076	17.2
115.05429	3.3
117.07033	20.0
119.04987	4.2
119.08591	50.9
119.09377	5.1
121.06509	8.1
121.10159	31.4
123.08052	5.6
123.11716	8.3
125.09649	23.5
127.03878	5.8
128.06149	3.2
129.07014	24.4
131.04948	16.2
131.08583	39.3
133.06502	7.3
133.10133	44.8
135.08046	5.0
135.11725	12.7
137.09631	8.4
142.07774	5.0
143.08553	12.1
145.10120	28.1
146.08122	33.0
147.08070	9.3
147.11702	37.1
149.09630	26.6
149.13245	9.8
149.14355	3.0
151.11281	2.9
152.65714	2.6
156.09297	2.8
157.10135	28.8
159.11707	18.9
161.13242	3.5
163.11194	16.3
165.12744	5.4
169.10109	6.6
171.10376	3.2
171.11726	11.8
173.09718	4.2
173.13248	6.2
175.11183	23.8
177.12781	5.2
179.14259	5.7
181.10085	3.0
183.11717	6.9
185.13283	3.1
189.11250	11.4
193.12251	67.7
193.13893	2.3
195.13829	5.1
199.11227	3.0
211.13289	97.9
213.12825	3.1
227.12773	35.8
229.14209	4.3
229.19553	3.0
239.18021	4.9
255.15997	6.1
257.19055	16.5
267.15927	42.0
269.17490	21.5
275.20096	57.3
285.16995	93.4
293.21158	3.8
331.22617	6.7
349.23752	59.8
367.25003	4.1
437.25403	7.4
439.26855	5.6
447.27472	10.4
455.26373	6.7
461.29044	25.1
463.30908	3.9
465.28644	14.8
479.30087	62.7
488.17831	2.8
541.35303	35.4
559.36322	79.4
577.36981	10.7
623.34766	3.7
756.26367	5.4
774.28168	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	774.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	12.9
55.05513	39.6
57.03191	2.3
57.03440	21.7
57.07082	2.8
57.59998	2.7
61.02932	2.6
65.03932	3.5
67.05509	69.3
69.03414	9.2
69.06723	3.2
69.07070	38.3
71.04987	10.8
73.21806	2.0
79.05495	72.4
80.05829	2.5
81.03423	100.0
81.06583	4.6
81.07060	83.7
83.04981	25.3
83.08627	49.4
85.02496	2.6
85.02910	29.5
85.06550	5.4
86.09711	2.4
87.67918	2.3
91.05486	66.1
93.07050	74.7
94.07383	4.8
95.04974	41.9
95.08619	45.4
97.02894	8.9
97.06548	20.7
97.10187	19.1
99.08101	4.6
103.05495	10.9
105.03389	8.7
105.07036	62.2
107.04973	16.7
107.08599	42.2
109.02872	4.0
109.06539	12.8
109.10163	16.6
111.04476	3.7
111.08079	15.0
113.06027	3.6
114.43344	2.2
115.05444	2.8
117.07027	21.3
119.04970	3.3
119.08588	49.0
120.09001	2.8
121.06521	8.1
121.10139	25.7
123.08056	6.1
123.11675	5.8
125.09617	13.6
127.03936	3.3
128.82387	2.2
129.07001	18.1
131.04906	18.3
131.08578	33.9
133.06479	4.5
133.10139	32.7
135.08073	7.7
135.11703	14.5
136.12003	3.2
137.09613	4.1
141.06987	4.0
142.07770	3.6
143.08562	6.4
145.10141	22.1
146.10379	3.2
147.08038	7.4
147.11690	27.1
149.09618	23.7
149.13295	5.4
151.11191	4.6
157.10120	23.5
159.08060	4.1
159.11687	16.8
161.13245	4.7
163.11230	13.9
164.11487	4.0
165.12799	3.9
169.10179	3.9
171.11670	7.3
173.09567	3.4
173.11737	2.6
173.13258	6.4
175.11203	15.0
179.14355	4.2
183.11719	7.3
184.07356	4.0
185.13274	3.2
189.11205	6.9
193.12236	49.9
211.13303	70.7
227.12811	29.1
228.13176	6.5
239.18033	2.9
255.15868	4.3
257.18954	8.3
267.15933	38.2
269.17569	15.1
275.20099	37.7
276.20605	2.3
283.15286	6.5
284.15726	4.5
285.16995	59.8
290.73795	2.8
291.19711	3.0
301.16074	4.0
349.23703	42.0
439.27103	5.6
447.27283	9.2
455.26428	4.9
461.28702	16.0
463.30826	3.2
465.28433	15.3
479.23450	4.0
479.30048	66.0
503.30637	3.0
541.35284	58.8
559.36322	77.2
577.36951	6.8
623.34570	4.0
772.39294	2.5
774.28259	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	774.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.7
55.05520	8.1
57.03421	4.3
67.05220	1.6
67.05511	15.5
69.03409	4.2
69.07063	6.7
69.25626	12.9
71.04996	1.7
73.68671	1.3
75.04538	1.3
77.03902	1.3
79.05119	1.7
79.05496	17.9
81.02986	1.4
81.03421	17.3
81.07059	20.6
83.04969	6.6
83.08606	5.2
85.02917	7.4
85.06535	2.6
85.40983	1.7
91.05489	17.2
93.07035	17.9
95.01290	1.5
95.04967	14.8
95.08617	8.7
97.06516	6.1
97.10133	1.8
97.87745	1.2
103.05469	39.8
105.03432	1.6
105.07038	14.3
107.04974	6.8
107.08596	10.9
109.06494	6.7
109.10151	3.2
111.04448	1.9
111.08060	1.8
115.05447	3.1
117.06982	4.8
119.04973	2.5
119.08576	16.3
121.06478	5.5
121.10137	6.2
123.08073	3.7
125.05988	1.5
128.06221	1.9
129.06981	5.1
131.04936	100.0
131.08582	10.2
132.05232	1.7
133.06490	6.4
133.10139	10.2
134.14644	1.7
135.08038	2.8
135.11752	2.8
138.05466	2.8
141.07053	1.9
142.07790	3.6
142.47879	1.7
143.08534	5.7
145.06462	3.1
145.10133	6.0
147.08028	5.1
147.11679	4.3
149.05934	2.3
149.09602	6.0
149.13254	2.2
155.08568	3.2
156.06615	2.5
156.09302	2.5
157.10126	12.6
159.08049	7.4
159.11726	9.3
161.06013	1.9
161.09637	3.0
161.13156	1.6
163.11139	2.4
167.08609	2.9
169.10117	6.1
170.10861	1.9
171.07983	2.4
171.11726	10.9
173.09630	6.5
173.13216	3.0
175.11212	3.6
177.12450	1.7
179.07040	1.7
179.08548	2.2
181.10066	2.7
183.08083	2.2
183.11707	19.5
185.09642	5.1
185.13225	6.4
187.11168	4.0
193.10213	2.9
193.12241	8.5
195.11641	3.6
197.09561	3.6
197.13245	2.0
199.11154	4.6
201.12766	3.6
202.26987	1.5
205.10060	2.1
206.10820	3.0
207.11687	4.3
208.12473	2.2
209.13232	3.9
211.11169	4.5
211.13246	9.7
213.12741	3.2
217.10178	3.4
218.10968	2.2
219.11620	4.7
220.12364	3.6
221.13266	6.6
223.11194	2.3
223.14774	2.6
225.12807	2.3
227.10539	2.0
227.12718	2.2
229.10156	1.7
229.12228	2.5
230.10834	2.7
231.11763	3.3
232.12442	2.2
233.13327	3.3
234.14088	3.4
235.11145	4.7
235.14830	4.8
237.12669	2.0
237.16368	4.7
239.14325	1.6
243.11656	5.3
243.13814	1.9
244.12582	4.0
245.13383	3.9
246.14078	5.2
247.11172	3.5
247.14972	7.0
248.15588	2.3
249.12782	3.7
249.16391	4.3
251.14352	3.3
257.13367	2.8
258.14230	3.0
259.11142	2.6
259.14749	5.9
260.11862	1.6
261.12677	5.2
261.16534	7.3
262.13455	2.2
263.14276	4.3
263.17929	3.9
265.15796	3.6
267.15924	7.3
269.17487	5.9
271.10941	2.5
272.11896	2.7
273.12494	2.2
273.16379	3.4
274.13464	4.1
275.14313	7.7
275.20145	7.0
276.15186	3.2
277.15897	6.9
279.17026	2.3
283.17175	2.3
284.11966	1.5
285.12686	4.5
285.16956	9.0
287.14139	4.1
287.17404	1.5
288.15057	2.4
289.15854	6.0
291.14362	2.3
291.17300	11.8
293.15356	1.7
295.16754	1.6
296.12308	1.6
297.16187	2.2
299.14328	6.5
300.14954	3.5
301.15897	7.7
303.13657	4.0
303.17105	2.5
305.15399	2.9
305.18869	2.1
307.16910	4.6
309.18506	3.0
310.13455	1.7
314.12909	4.0
315.13986	1.9
315.17325	7.7
317.15442	4.0
319.16910	10.5
321.18451	3.4
323.19968	3.6
325.15433	2.0
327.13663	2.6
328.14478	2.7
329.15237	5.0
331.16803	2.9
333.18466	6.7
337.17938	3.8
343.16922	11.2
345.14859	3.0
347.16403	6.9
349.23749	10.6
351.19583	4.6
359.16177	3.5
361.17902	11.3
365.17349	3.9
367.18958	6.6
367.25101	1.7
369.20615	1.8
371.16345	9.5
375.15649	2.6
375.19861	2.6
379.18991	6.3
385.17657	1.7
389.17505	13.3
391.15137	1.9
393.16519	3.0
397.19965	3.3
399.16251	1.8
403.18982	7.7
407.18640	12.7
417.16962	6.2
421.20148	7.9
425.19458	6.8
431.18414	5.3
435.17990	5.7
439.21042	4.7
449.19516	6.5
457.21988	2.6
461.28833	4.2
463.30026	2.9
467.20642	8.4
479.30124	7.3
479.36084	1.7
481.22034	3.4
485.21753	10.1
499.23221	5.2
503.22626	3.4
517.24451	1.9
541.35364	9.8
559.36371	10.4
577.36871	3.0
601.24518	2.1
615.25940	2.1
633.26611	2.4
725.31226	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.37
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02462	1.0
55.01860	1.5
55.05516	7.6
55.42980	0.9
57.03426	2.4
64.41333	0.9
67.05502	6.0
69.03433	3.1
69.07033	1.5
71.04975	1.0
79.05507	5.4
81.03403	4.6
81.07056	6.9
83.04982	8.9
83.08600	2.7
85.02891	1.3
89.09217	0.9
91.05483	8.2
93.07024	6.0
95.04986	7.6
95.08581	3.0
97.02883	1.5
97.06515	2.2
98.06061	1.3
101.02365	1.6
103.05474	46.5
105.03387	1.3
105.07030	7.6
107.04942	2.1
107.08590	4.4
109.02895	1.7
109.06516	2.5
111.04440	2.9
115.05475	1.4
117.07018	2.4
119.04974	2.1
119.08588	8.7
121.06474	2.5
121.10130	1.7
123.08047	2.9
127.03924	1.6
129.06937	2.8
131.04935	100.0
131.08594	5.5
133.06470	3.0
133.10114	3.6
135.08061	3.1
137.02341	1.3
141.07018	1.3
142.07794	2.3
143.08548	4.6
145.06451	2.1
145.10135	2.9
147.08046	3.4
147.11694	2.3
149.05931	1.7
149.09599	3.6
155.08514	3.0
156.09305	1.9
157.10161	10.1
157.45975	1.1
159.08057	4.3
159.11674	3.3
161.05998	2.1
161.09647	2.0
163.07532	1.8
167.08551	2.0
169.10106	6.2
170.10898	4.9
171.08032	2.8
171.11688	10.1
173.09622	3.2
173.13206	2.0
175.07507	1.2
175.11168	1.2
177.05460	2.6
177.09114	1.3
179.06964	1.4
179.08548	2.9
180.09306	1.9
181.10086	4.4
183.08078	2.6
183.11711	15.1
184.12436	1.5
185.09631	5.6
185.13318	6.9
187.07562	1.5
187.11176	2.4
189.05438	1.2
192.09320	2.0
193.10127	6.0
193.12231	2.3
194.10899	2.2
195.11700	6.9
197.09619	4.4
197.13232	2.0
199.11177	5.0
201.09091	1.6
201.12750	3.6
203.10652	1.3
205.10176	2.3
206.10916	3.2
206.76801	1.0
207.11696	8.6
208.08864	1.2
208.12511	5.8
209.09636	2.5
209.13298	6.4
210.10269	1.6
211.11165	6.1
211.13147	2.3
213.09209	1.9
213.12817	7.5
217.10161	3.7
218.10884	1.7
219.11688	3.5
220.12520	3.2
221.13292	9.3
222.14000	2.8
223.11201	3.0
223.14882	10.6
224.15538	2.2
225.12720	3.2
225.16307	1.4
227.10757	1.2
229.10126	2.0
229.12218	2.5
230.11029	1.2
231.11708	3.7
232.12436	3.3
233.09561	1.4
233.13223	4.5
234.13925	1.4
235.11188	7.1
235.14795	6.3
236.11919	2.0
237.12796	5.2
237.16385	18.8
237.31517	1.1
239.10629	2.5
239.14302	2.2
243.11678	1.9
243.13869	2.0
244.12404	2.3
245.13237	4.1
245.15436	3.5
246.13977	3.3
247.11238	2.9
247.14799	4.9
248.12077	1.6
249.12711	3.6
249.16263	2.8
250.12927	1.0
251.14340	14.1
253.12341	1.0
253.15869	2.0
254.10796	1.1
256.11996	1.0
257.13187	1.8
258.14026	2.7
259.11166	2.2
259.14761	4.6
260.11954	1.6
260.15671	2.0
261.12805	3.3
261.16467	5.7
263.14316	4.4
263.17838	3.6
264.14774	1.5
265.12167	1.9
265.15848	9.3
267.13708	2.3
271.11127	1.5
271.14746	3.0
272.11877	1.1
272.15439	1.0
273.12424	1.4
273.16635	1.2
275.14264	3.5
275.17548	1.3
275.20273	1.5
277.12119	1.3
277.15836	3.6
278.16531	1.3
279.13821	3.2
279.17413	8.2
281.15533	1.7
281.18442	1.1
283.17114	2.9
284.12097	1.6
285.12695	1.5
285.16791	3.5
286.13760	1.1
287.14163	2.5
288.15082	1.8
289.12064	1.5
289.15790	4.7
291.13803	2.9
291.17450	3.9
293.15421	2.6
295.16858	1.7
299.14374	1.9
301.15887	3.4
305.15210	2.5
305.18811	1.8
307.16852	8.0
310.13345	1.3
315.17322	1.7
317.15231	1.4
319.13449	1.6
319.16998	2.4
321.18631	2.1
323.12683	1.8
323.16348	2.4
325.18115	2.1
327.13937	1.6
329.15305	2.8
331.16782	3.1
335.16464	5.5
337.18008	2.0
343.16956	2.7
345.14725	1.7
345.18613	1.3
347.16257	4.6
349.18082	1.8
349.23416	2.5
353.17444	2.6
359.16434	2.5
361.18057	10.2
363.15738	2.7
363.19904	1.3
365.17346	4.0
367.15112	2.3
367.19083	2.8
369.20514	1.3
371.16537	1.7
373.18030	2.4
375.15677	1.3
379.19031	10.0
381.16824	2.1
385.19971	1.8
389.17499	12.7
393.16870	2.9
397.20093	5.0
399.18155	5.0
407.18567	18.5
411.21616	2.4
415.18884	1.6
417.16895	6.1
419.18610	3.7
421.19858	3.3
425.19644	15.8
433.19962	5.3
435.17880	7.7
439.21167	5.0
441.19299	2.0
443.45663	1.1
449.19760	2.3
451.20969	6.7
453.18948	3.5
457.22275	6.4
461.28583	1.5
467.20673	6.8
473.21967	1.2
479.20615	1.5
479.29465	1.7
485.21518	3.4
499.23096	2.1
501.22876	1.5
511.23068	2.9
517.24194	1.4
541.34851	2.6
559.36047	3.7
593.27618	7.2
601.24170	2.5
633.26361	1.3
693.20001	1.1
693.29242	12.7
725.31769	32.0
756.26807	19.0
774.27222	13.5
775.28986	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
55.05511	7.7
57.03440	1.9
67.05497	6.2
69.03432	2.3
69.07067	3.3
71.04963	1.1
71.55912	1.5
72.10026	1.3
79.05486	7.1
81.03420	5.3
81.07060	8.8
83.04987	10.8
83.08620	1.5
85.02893	2.8
86.71127	1.0
91.05486	8.8
93.07039	7.9
95.04969	9.4
95.08605	4.8
97.06557	1.6
97.10191	1.4
101.02364	1.7
103.05470	47.7
105.03392	1.5
105.04575	1.6
105.07030	11.1
107.04956	2.0
107.08630	5.1
108.91561	1.2
109.06552	2.6
109.10150	1.5
111.04447	2.8
115.05515	1.6
117.07028	3.1
119.04954	1.1
119.08604	9.5
121.06487	2.9
121.10145	2.1
123.08084	3.7
127.03918	1.6
128.06229	1.5
129.06967	4.1
131.04932	100.0
131.08591	7.1
133.06502	4.1
133.10136	5.3
135.08049	4.3
137.02368	1.1
141.07051	1.8
142.07797	2.1
143.08618	6.0
145.06502	3.1
145.10132	4.9
147.08043	4.1
147.11653	2.3
149.06041	2.0
149.09628	3.5
155.08537	3.0
156.09315	3.0
157.10141	10.6
159.08028	5.6
159.11690	3.9
161.05963	2.3
161.09607	2.6
163.07698	1.1
163.11157	1.5
165.06999	1.5
167.07100	1.1
167.08574	2.5
168.09389	2.4
169.10147	6.3
170.10893	5.6
171.08034	2.0
171.11717	9.8
173.09605	3.8
173.13354	1.5
175.07434	1.4
175.11148	1.8
177.05476	2.3
177.09126	1.2
179.08536	2.8
180.09296	1.4
181.10121	4.0
182.10785	1.4
183.08046	1.1
183.11676	15.9
184.12453	1.5
185.09625	5.1
185.13303	7.7
187.11197	3.0
192.09390	1.7
193.08572	1.2
193.10126	3.6
193.12206	2.1
194.10866	2.9
195.11732	5.9
197.09627	4.5
197.13283	4.0
198.10529	1.7
199.11259	3.5
201.12779	3.0
206.10915	3.4
207.11699	9.7
208.12517	4.2
209.09612	2.8
209.13312	5.8
211.11168	4.7
211.13234	2.7
211.14966	1.5
212.11874	1.2
213.09109	2.4
213.12732	5.9
215.08479	1.2
215.10605	1.9
217.10210	3.3
218.10956	1.6
219.11710	2.9
220.12486	2.8
221.13258	9.9
222.10475	1.6
222.14035	2.8
223.11163	3.5
223.14835	9.6
224.15636	1.8
225.12776	3.2
225.16469	1.7
227.10780	1.3
229.10170	1.6
229.12163	2.6
231.11755	3.8
231.13837	1.5
232.12373	2.5
233.13269	2.8
234.10248	1.3
234.13965	2.5
235.11256	5.9
235.14742	6.2
236.12048	1.6
236.15469	1.5
237.12653	4.6
237.16389	19.0
239.10626	1.7
239.14413	2.8
241.12166	1.4
242.10919	1.6
243.11703	2.1
243.13896	2.5
244.12486	2.5
245.13252	3.5
245.15474	4.2
246.10280	1.5
246.14014	3.0
247.11127	2.5
247.14838	4.3
248.12068	2.4
249.12740	4.9
249.16455	2.3
250.13513	1.8
251.14305	14.5
253.12387	1.2
253.15932	1.5
257.13315	1.8
258.14066	4.0
259.11078	1.5
259.14795	3.6
260.11914	1.6
260.15588	1.1
261.12766	4.9
261.16443	5.9
263.14304	4.6
263.17960	2.7
264.15176	1.1
265.13004	1.6
265.15775	8.3
267.13779	1.5
267.16068	1.4
270.13873	1.1
271.14908	1.5
272.11694	1.0
273.12454	1.6
273.16614	2.5
274.13437	1.7
275.14368	2.6
275.20105	1.7
277.15863	4.0
278.16589	2.5
279.13879	3.0
279.17480	9.5
283.16949	3.5
285.16891	4.7
286.13513	2.1
287.14255	2.1
287.17679	1.3
288.15256	2.1
289.15707	3.5
291.13791	2.3
291.17337	4.4
293.15424	2.8
295.13403	1.6
295.16953	2.2
298.83209	1.1
299.14227	2.1
300.14786	1.3
301.12390	1.4
301.15836	2.4
303.13971	1.7
303.17310	2.3
305.15399	2.2
305.18979	1.3
307.13647	1.8
307.16946	8.7
313.15634	1.1
315.17401	2.8
317.15329	4.0
319.16916	3.3
323.16342	1.9
325.17944	4.2
329.15295	1.4
331.16776	1.9
333.18375	2.3
335.16437	4.2
337.18036	2.4
343.17020	2.9
345.14587	1.6
345.18506	1.4
347.16541	4.0
349.23874	1.4
351.15546	1.2
351.19604	1.4
353.17380	3.1
359.16476	2.8
361.17935	10.2
363.15732	2.3
365.17429	5.9
367.15173	1.8
367.19086	2.9
371.16400	2.3
373.17957	2.8
379.19086	7.6
381.16824	2.8
385.20154	1.6
389.17407	14.6
391.19138	1.9
393.16852	2.5
397.20044	4.0
399.18304	6.3
401.17502	3.0
407.18488	18.3
409.16437	1.8
411.21719	1.5
415.18951	1.8
417.16943	6.5
419.18436	3.0
421.20062	1.2
425.19763	13.5
433.20099	4.9
435.18088	5.6
439.21237	7.1
441.19202	2.1
449.19592	2.1
451.21384	5.4
453.19104	3.0
457.22421	5.1
461.28842	1.3
463.74155	1.2
467.20700	6.4
473.21713	2.8
479.29825	3.2
485.21381	5.9
499.23257	2.3
501.23526	1.4
511.23224	2.6
517.24255	3.5
541.34973	2.1
548.68842	1.2
559.36377	3.7
577.26318	2.8
593.27673	7.3
597.78558	1.2
626.29327	1.2
670.21918	1.4
693.29095	13.2
696.24060	1.4
725.31677	32.4
726.31744	1.7
756.27051	29.9
757.26776	1.1
774.27545	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	773.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	36.3
57.03432	17.5
57.07079	5.5
58.47790	4.4
59.04989	5.5
61.02919	11.3
65.03935	12.1
67.05510	88.4
67.05843	3.4
69.07075	33.3
75.93220	4.2
79.05496	75.6
81.03405	5.0
81.07069	80.9
83.04957	4.6
83.08611	17.1
85.02898	13.3
89.18863	4.4
91.03973	7.0
91.05482	64.7
93.07045	92.1
95.04957	7.4
95.08617	71.7
97.02876	8.1
97.06514	6.9
97.10167	8.1
105.07037	56.0
107.08603	48.5
109.10159	21.9
109.98335	4.6
117.07011	18.9
119.08598	60.5
120.86038	4.6
121.10148	34.6
123.07973	5.6
123.11729	10.2
129.06990	15.1
131.08592	35.9
133.10129	39.9
135.11708	26.7
143.08557	18.6
145.10114	34.2
147.11700	38.2
149.09602	6.1
149.13225	17.4
157.10143	17.4
159.11676	33.3
161.13245	23.4
162.47954	4.5
167.08430	6.0
169.10190	6.9
171.11687	15.8
173.13277	24.5
175.14799	13.4
178.26195	4.6
185.13214	14.7
187.14833	6.9
192.31233	4.8
197.13278	5.1
199.14862	10.6
201.16339	8.4
229.19543	5.7
241.19553	22.4
259.20581	53.8
261.22064	11.4
267.76300	4.7
271.20605	5.5
301.21500	6.4
333.24319	37.1
335.25793	70.2
383.69580	5.5
392.18347	5.0
593.45117	13.2
611.46698	100.0
647.45459	6.3
701.47473	8.4
755.50793	5.4
773.51532	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	773.2781
Annotation	8alpha-Benzoyloxyacetylpringleine
Peak:m/z	Relative Intensity
55.05511	1.7
58.49578	0.7
60.07130	0.8
67.05508	1.6
69.03461	1.2
70.06567	1.0
76.29014	0.8
78.31702	0.8
79.05484	1.8
81.03443	1.3
81.07070	1.5
83.05003	2.9
85.02895	1.1
91.05505	4.0
93.07062	1.9
95.04969	2.0
95.08622	1.0
97.06531	1.0
103.05462	7.0
105.07048	3.1
107.04980	0.9
107.08633	1.5
109.06533	0.8
115.05466	1.3
117.07040	2.1
119.08614	3.5
121.06555	1.3
123.45692	0.8
128.06204	0.9
129.06935	1.1
131.04936	13.5
131.08592	2.9
132.05275	1.4
133.06499	1.1
133.10143	1.3
142.07874	1.0
143.08612	2.5
145.06490	1.1
145.10138	1.3
147.08054	1.1
155.08559	1.5
157.10168	1.8
159.08058	1.9
159.11673	1.2
161.06050	1.1
163.07584	1.1
169.10237	1.7
171.11790	1.9
181.10204	1.4
183.11748	2.1
185.09676	1.2
185.13292	1.0
197.09666	1.3
199.11284	1.1
203.07083	1.0
213.12766	1.2
217.04794	1.5
217.10378	0.9
221.13179	1.1
223.14862	1.2
225.09293	1.1
235.11238	0.8
237.12785	0.9
237.16388	1.2
239.10712	1.2
251.14537	1.5
325.14148	5.9
381.16846	2.4
407.18652	1.3
417.16687	1.2
461.15622	1.9
489.19150	1.2
491.16721	1.0
493.18985	1.1
501.18936	2.8
521.17902	5.3
525.20990	0.9
547.19653	3.4
548.79486	0.9
561.21246	1.4
607.21912	2.7
609.21179	2.7
633.23450	1.1
661.22723	2.4
667.25256	1.2
669.23438	3.4
695.24780	4.9
725.31335	1.8
755.26758	100.0
756.26910	4.5
773.27777	72.0
774.28522	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2137
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01873	0.5
55.05510	0.4
57.03440	2.0
59.87635	0.2
61.02925	1.2
64.84049	0.1
67.05477	0.2
68.99794	0.3
69.03432	2.2
71.04998	12.3
71.55581	0.2
72.05349	0.2
73.02943	0.8
75.04467	1.0
81.03413	1.1
83.04979	1.7
85.02908	22.6
87.04485	0.6
91.03971	0.5
91.05505	0.2
93.03431	0.2
95.05024	0.2
95.08559	0.2
97.02905	2.5
99.04463	0.7
103.03952	0.2
109.02882	1.0
111.00823	0.7
111.04443	1.3
119.04956	0.3
121.02876	0.7
123.04430	0.4
127.03929	2.4
129.05493	5.4
137.02341	2.1
137.05937	0.3
145.04968	2.5
147.04443	1.0
147.06528	2.6
149.02357	0.2
153.01833	2.6
161.05998	0.2
163.03947	0.6
163.06000	0.8
163.39154	0.2
165.01837	1.8
166.02501	0.2
183.02922	0.9
187.03908	0.2
195.02922	0.2
199.77846	0.2
201.05489	1.3
206.12648	0.2
209.15401	0.2
219.06715	0.2
228.04155	0.2
229.04985	3.3
247.06021	0.5
255.08638	0.3
257.04495	2.2
273.09796	0.2
274.04703	0.5
285.03958	1.2
293.84998	0.2
303.04999	100.0
304.05334	1.8
309.11755	0.2
315.05014	0.2
317.06628	0.3
337.63419	0.2
345.06183	0.3
379.72574	0.2
447.09427	0.2
465.10251	1.1
479.62872	0.2
619.20105	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	12.7
55.05273	3.1
55.05512	43.8
57.03439	22.7
57.07073	2.3
59.04751	2.3
59.05006	29.0
59.70857	1.9
64.28493	2.1
65.03926	3.8
67.05506	94.0
69.03403	5.3
69.07080	14.8
70.06600	11.7
71.01361	3.1
71.04995	18.3
71.56025	2.2
73.02903	2.5
79.05064	3.4
79.05497	50.8
81.03419	100.0
81.06583	2.5
81.07062	45.8
83.04986	24.2
83.08621	36.6
85.02890	7.9
85.06535	5.1
86.06050	2.5
87.04471	30.6
91.05486	49.9
93.07050	40.2
95.04967	44.4
95.08602	24.8
97.02882	7.8
97.06541	15.5
97.10181	20.5
98.20795	1.7
99.04448	10.4
99.08069	3.0
103.05442	4.1
103.36398	1.9
104.07124	3.9
105.03385	3.3
105.04427	1.8
105.06403	2.3
105.07036	33.8
107.04980	17.7
107.08597	30.3
109.02850	3.4
109.06541	11.0
109.10159	53.4
111.04448	11.9
111.08094	9.4
113.06031	2.7
114.05484	2.3
115.05457	3.5
116.07088	13.5
117.06996	11.0
119.07816	2.3
119.08590	36.4
121.02838	3.0
121.06483	9.7
121.10136	24.4
123.04404	6.3
123.08041	7.4
125.05969	3.0
125.09634	18.9
128.06163	2.4
129.05434	1.7
129.07007	20.3
131.04897	7.4
131.08582	21.4
133.06479	8.1
133.10130	17.2
135.04398	7.0
135.08047	7.9
135.11681	10.8
137.05968	5.0
137.09654	5.0
141.75522	1.7
142.07727	6.3
143.08517	5.4
145.06488	6.7
145.10138	11.9
147.08049	8.1
147.11688	22.2
149.06013	3.1
149.09648	23.6
151.11139	3.1
153.09111	6.4
153.12735	9.8
155.08548	5.0
155.10634	4.5
156.74112	2.2
157.06471	2.6
157.10110	18.5
159.08020	4.4
159.11703	5.6
161.05981	6.8
161.09621	3.6
161.13145	3.3
163.07477	2.6
163.11180	18.2
165.12741	3.2
167.10640	4.0
169.10126	2.0
171.11563	4.5
173.09613	4.9
173.11835	9.0
173.13129	2.7
175.07616	3.1
175.11205	20.4
181.10101	2.6
181.12189	7.5
183.11671	6.6
185.09528	2.2
185.13239	6.1
187.11079	3.6
189.11217	12.5
191.10666	6.4
193.12241	61.5
195.11676	2.5
197.13191	2.5
197.15399	3.0
199.11203	2.4
199.13280	8.8
201.12737	2.8
205.12274	3.9
207.13913	2.2
209.11751	10.5
211.11371	2.7
211.13298	47.9
213.12761	6.6
217.14275	2.9
219.13631	2.1
223.13309	3.8
225.14847	14.1
227.12758	19.7
229.12163	3.8
229.14349	38.9
231.13759	7.0
235.13284	5.0
241.14276	2.5
247.13229	9.8
249.14871	22.8
253.14362	2.2
259.13123	2.6
259.15512	2.4
263.16476	2.9
265.14352	2.1
267.15936	60.7
273.14825	5.0
277.14212	2.5
283.15451	17.2
295.15393	2.1
301.14386	2.5
309.16846	2.6
315.18237	4.2
337.21567	7.1
355.22559	10.7
365.21045	12.5
373.23724	6.9
383.22202	29.1
391.24643	2.7
401.23087	21.4
415.24652	6.9
419.23978	2.8
421.25839	31.3
433.25912	9.2
439.25415	2.0
447.27255	4.8
457.26022	8.7
464.98129	2.0
475.27023	27.3
489.28470	4.1
493.28400	9.1
507.29578	25.2
517.28204	2.0
525.30859	13.1
550.97058	2.1
633.32159	2.1
779.40289	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	770.353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
55.05506	2.1
60.78255	0.7
65.03936	1.2
65.16064	0.9
67.05508	4.2
69.03423	1.7
69.07047	1.3
74.15139	0.7
76.79189	0.7
79.05507	6.6
81.03421	2.6
81.07063	6.1
82.06572	1.4
83.04957	1.5
86.09701	1.0
91.05483	9.2
93.07049	7.5
95.04985	7.5
95.08613	5.6
97.06562	4.6
100.07642	4.6
103.05473	49.0
104.05830	4.7
105.03410	6.6
105.04504	2.0
105.07031	11.9
106.03757	1.1
107.04959	2.3
107.08614	7.1
109.06515	3.2
109.10157	1.7
110.44469	0.7
110.48727	0.7
114.67805	0.7
115.05446	2.0
117.07005	3.6
119.08595	8.5
121.02886	1.0
121.06500	4.9
121.10144	2.5
123.04401	1.2
123.08065	3.9
125.05978	0.8
128.06219	1.9
129.06985	3.3
131.04938	100.0
131.08545	5.8
132.05284	9.0
133.06499	4.9
133.10144	10.3
135.07996	3.6
135.11697	0.9
137.09599	0.9
141.06993	2.7
142.07777	3.4
143.08592	5.9
144.09149	0.9
145.06483	3.4
145.10132	8.0
146.07111	1.4
146.08122	9.6
147.08057	3.1
147.11687	1.6
149.05995	1.9
149.09599	2.9
151.07579	1.6
153.07002	2.1
154.07770	1.3
155.08536	3.5
156.09354	4.7
157.10164	9.1
158.07306	1.1
159.08054	4.8
159.11739	4.1
160.08453	0.9
161.05977	6.0
161.09656	4.7
162.06363	1.4
163.07497	2.3
163.11168	0.9
165.06956	2.8
166.07631	1.4
167.08572	2.8
168.09312	1.7
169.06493	1.2
169.10130	8.4
170.10858	2.9
171.08025	2.1
171.11690	10.8
172.08727	0.9
173.09612	3.8
173.13290	2.0
175.07544	1.3
175.11201	2.3
179.07166	1.5
179.08565	3.1
179.10696	1.2
180.09317	2.5
181.06537	0.9
181.10117	2.3
182.10957	3.6
183.08051	2.7
183.11719	6.0
184.08701	1.4
184.12395	1.1
185.09654	5.6
185.13228	4.1
187.07451	1.3
187.11194	3.1
187.14758	1.1
189.09134	1.0
189.12724	0.9
191.10748	1.0
192.09363	1.8
193.10144	2.4
194.10811	1.7
195.08076	1.6
195.11720	14.5
196.08694	1.9
196.12369	1.1
197.09677	5.6
197.11586	1.2
197.13268	9.7
198.10182	1.6
199.11189	8.3
199.14841	1.7
200.11934	5.3
201.09178	1.7
201.12794	3.4
206.10912	1.6
207.08075	0.9
207.11774	3.8
208.12468	1.2
209.09631	1.8
209.13257	4.0
210.10370	1.9
211.07471	0.8
211.11174	2.0
211.14871	1.1
212.11893	1.2
213.09149	1.2
213.12746	9.7
214.09633	1.1
215.10724	1.9
215.14313	4.2
217.10284	1.0
217.12248	1.4
218.10941	1.0
219.11708	1.4
220.12480	1.9
221.13248	2.6
222.10309	0.8
223.11169	2.0
223.14804	1.7
225.09181	4.4
225.12738	7.7
226.09473	1.0
227.14281	3.2
229.12228	1.0
230.10936	1.1
231.11674	2.1
231.13771	1.5
233.13287	2.1
234.14067	1.3
235.14740	2.6
237.12794	1.4
237.16365	1.3
239.10837	1.2
241.08501	1.3
241.12398	2.0
243.11696	1.1
243.13812	12.3
245.13251	2.4
246.14018	1.3
247.14883	1.6
249.12784	1.0
249.16426	2.3
251.14337	1.6
253.12294	0.9
255.13860	1.0
259.13226	1.3
260.15756	1.5
261.12521	0.9
261.16806	1.0
263.14297	1.7
263.17914	1.4
265.15839	1.5
273.16263	0.9
275.17960	3.9
277.15952	1.2
279.13681	1.0
279.17575	0.9
281.15378	0.9
283.15387	1.2
291.17261	2.3
293.19019	2.6
295.16956	1.2
303.17444	2.8
305.18961	1.2
309.18561	1.8
311.20059	1.9
313.12158	0.9
321.18521	12.1
323.20187	1.8
339.19571	14.5
352.05396	0.9
357.20880	2.0
421.20108	2.3
439.21106	1.9
450.16217	1.0
463.17545	1.8
464.17624	1.1
481.18549	1.0
482.19040	1.1
487.24677	2.3
505.25827	1.7
573.34424	1.8
600.22485	1.1
612.22815	2.7
630.23969	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24536	1.6
54.81236	2.0
55.05507	4.7
55.69651	1.8
56.61475	1.9
63.43860	2.1
63.85421	1.7
67.05509	4.7
69.03436	2.2
69.07048	3.3
71.54942	2.3
77.03911	2.5
79.05511	9.2
80.02945	1.9
81.03423	3.9
81.07087	4.7
91.05476	13.4
93.07059	10.7
95.04990	13.5
95.08604	6.8
103.05455	4.5
105.03403	100.0
105.04532	6.8
105.07034	19.7
107.08610	6.5
109.06546	3.3
115.05460	2.7
117.07015	7.0
119.04909	3.1
119.08611	13.4
121.06553	3.3
121.10141	4.5
123.08096	2.1
128.06189	2.2
129.06985	5.7
131.04909	12.5
131.08580	9.7
133.06474	5.7
133.10149	8.1
135.08060	5.3
142.07727	2.4
143.08580	11.2
145.06482	5.0
145.10104	5.9
147.08090	6.6
149.05989	3.7
149.09645	10.5
150.06857	2.6
151.07507	2.7
155.08522	7.1
156.09360	6.3
157.10141	16.9
159.08089	4.7
159.11781	3.2
160.70724	1.9
161.06006	8.4
161.09604	3.8
163.11136	2.7
165.05518	1.8
165.07039	3.4
167.08546	2.4
168.09305	1.8
169.10117	13.6
170.10910	5.9
171.08083	4.7
171.11713	25.6
173.09612	7.9
175.07481	2.1
175.11201	2.6
177.09129	2.8
179.06978	6.9
181.10106	3.1
183.08086	3.7
183.11719	26.6
185.09648	6.5
185.13266	21.2
187.11105	3.6
189.05505	2.5
193.10225	3.8
194.10843	2.3
195.11649	4.8
197.09615	6.9
197.13307	4.3
198.10497	2.2
199.11208	7.6
201.09116	4.1
207.11729	4.2
209.13310	2.8
211.11227	7.1
213.12738	15.9
219.11775	3.9
220.12517	3.3
221.13304	4.7
223.11237	3.2
229.10141	3.5
229.12192	3.8
230.10838	3.3
231.11861	2.7
232.12486	2.9
233.13222	4.3
234.14070	2.9
235.14726	2.9
237.12733	3.2
241.12193	3.6
243.11847	3.9
243.13844	9.7
244.12622	2.2
245.13329	3.7
245.15378	19.9
246.13962	2.7
247.14885	5.5
248.12009	2.3
249.16380	2.6
256.12589	3.0
257.13495	3.3
258.14020	3.5
259.14786	7.1
260.12070	2.0
260.15625	3.7
261.12820	3.3
261.16406	3.7
263.17853	2.3
269.13113	3.4
270.14096	3.6
271.14841	6.6
273.15018	8.7
275.14282	5.0
275.17911	2.3
285.16412	3.9
287.14328	3.2
289.14426	3.3
291.17401	2.2
299.14359	2.9
301.16061	2.6
303.17413	7.0
313.15887	6.9
315.17313	2.2
317.15207	2.7
317.18909	2.7
327.17310	4.5
331.16830	7.9
333.17737	3.2
343.17166	3.0
345.18484	7.4
347.16193	2.2
349.17978	7.2
355.17014	2.8
359.16333	6.2
361.17783	2.3
363.19684	2.9
373.18054	12.6
377.17276	5.3
377.21335	4.1
387.19629	3.7
389.17368	2.3
391.19025	7.2
401.17261	5.1
405.20627	14.8
407.21982	3.2
419.18240	5.6
423.21808	13.0
433.20004	15.5
451.21198	17.0
469.22360	3.4
483.24069	4.0
493.21860	5.1
511.23145	5.4
553.24261	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	770.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.9
57.02738	1.9
67.05505	4.3
68.73257	1.9
79.05491	3.9
81.03426	4.4
81.07040	3.4
83.04997	2.8
85.02914	2.1
91.05484	7.5
93.07038	4.8
95.04976	8.4
95.08617	3.0
98.21456	4.4
103.05461	5.5
105.03398	100.0
105.04544	6.4
105.07024	15.3
107.08623	4.8
115.05453	2.4
117.07021	8.1
119.08594	9.2
121.06564	2.4
128.06178	3.2
129.07004	4.9
131.04919	5.6
131.08575	4.7
133.06500	7.6
133.10106	5.5
135.08054	3.7
142.07851	1.9
143.08569	7.8
145.06468	3.2
145.10135	6.8
146.08112	4.3
147.04558	1.8
147.08078	7.7
149.09605	2.3
153.07080	2.9
155.08566	6.8
156.09419	4.2
157.10167	12.5
159.08083	6.6
159.11720	3.2
161.06004	11.6
161.09586	3.6
163.07608	5.2
163.11148	2.3
165.07062	2.4
169.10144	8.8
170.10841	4.1
171.08047	4.3
171.11713	23.9
173.09589	6.0
175.07516	4.5
177.09192	2.9
180.09291	2.3
181.10095	3.6
183.11719	24.0
185.09608	5.3
185.13257	15.8
187.11234	2.4
189.05540	6.1
193.10156	2.1
195.07866	2.4
195.11707	4.0
197.09564	3.5
197.13203	5.4
199.07521	2.3
199.11229	8.5
201.09085	3.5
205.12299	2.0
207.11740	3.5
211.11211	7.7
213.09038	2.4
213.12761	13.4
221.13339	3.7
223.11174	2.7
225.09290	2.6
243.13779	7.7
245.13208	3.4
245.15352	11.1
249.12831	2.5
255.13893	4.9
257.13373	2.2
261.12787	3.2
269.13290	4.2
270.10550	2.5
270.14011	4.4
273.14792	11.6
283.15015	2.3
284.15503	3.7
285.16400	5.5
287.14285	3.3
298.13507	3.7
299.14252	2.6
301.15741	2.7
303.17267	2.4
312.15240	2.5
313.15921	5.8
323.86343	2.3
327.17557	4.3
329.15399	4.9
331.16925	6.4
340.14484	2.4
341.15414	5.4
343.17072	2.8
345.18546	5.2
355.16882	7.9
359.16495	7.0
371.16333	3.9
373.18106	13.1
383.16525	5.6
387.19556	3.7
391.19098	3.3
401.17368	12.4
403.18982	2.9
405.20404	10.1
415.19028	10.2
419.18536	4.6
423.21973	3.4
433.20142	33.2
451.21228	19.7
469.21936	2.8
479.20474	2.3
493.22244	8.8
511.23184	13.3
555.24103	3.9
555.32947	2.0
557.44165	2.1
562.26727	2.1
596.17334	2.3
615.26001	5.4
675.27606	5.5
693.29205	2.2
770.33575	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	770.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.9
67.05482	4.1
69.07055	2.7
71.03197	6.1
79.05500	8.9
81.07032	4.6
83.05002	5.1
91.05518	15.5
93.07018	4.4
95.04981	12.0
95.08575	4.9
96.15847	2.6
101.28027	2.7
103.05490	16.4
105.03400	100.0
105.04523	6.4
105.07029	20.0
107.08609	7.6
115.05474	5.9
117.07029	12.4
119.04925	2.7
119.08566	20.7
121.10144	3.6
128.06230	5.0
129.07013	4.6
131.04927	29.4
131.08588	13.3
132.05264	10.7
133.06477	8.9
133.10117	11.1
135.08044	5.5
141.06989	5.4
142.07756	4.4
143.08572	14.8
145.06502	11.1
145.10112	13.6
147.08069	14.3
149.09634	9.9
155.08485	6.5
156.09337	8.7
157.06554	3.3
157.10144	23.5
159.08084	7.7
159.11696	5.8
161.05989	18.9
161.09627	9.9
163.07553	6.2
163.11194	5.4
166.07703	2.8
167.08585	5.1
169.10115	15.3
170.10965	13.8
171.08067	8.7
171.11691	54.4
172.12366	2.8
173.06023	5.9
173.09622	11.4
175.07567	10.6
177.05359	2.9
179.08548	3.1
180.09406	3.9
181.10184	8.0
183.08098	6.6
183.11717	31.7
184.12270	3.6
185.09636	10.7
185.13252	42.3
187.07553	3.4
187.11189	3.4
189.05540	3.7
193.08574	3.1
193.10130	4.2
195.08109	3.3
195.11771	6.7
197.09625	5.4
197.13298	8.9
199.11163	21.1
201.12769	4.8
205.12247	5.4
207.11699	7.8
209.09689	3.6
209.13245	3.4
211.11237	15.8
213.09189	4.3
213.12735	39.1
217.12151	3.0
219.11685	4.5
221.13281	3.1
223.11081	4.0
229.12265	5.5
231.13837	7.3
233.13316	5.4
237.12772	3.4
239.10754	3.1
241.12247	7.2
243.11703	4.2
243.13847	9.6
245.13327	4.7
245.15404	32.7
249.12691	4.3
255.13907	6.4
257.13190	5.4
258.14023	3.7
261.12762	3.3
263.14023	4.0
270.14084	5.8
271.14621	4.5
273.12393	5.5
273.14868	17.8
275.18127	3.1
283.11322	3.5
284.15613	2.8
285.12878	6.1
285.16385	8.9
287.14322	4.8
289.14703	5.2
299.14398	5.2
299.17828	5.0
303.13913	3.4
311.14328	4.4
312.14944	3.3
313.15778	7.7
315.13742	4.2
315.17459	7.8
317.15356	6.6
327.13724	4.6
327.17383	8.2
329.15228	5.4
331.16919	8.8
340.14371	3.2
341.15317	12.4
343.16925	6.6
345.14743	5.0
345.18628	9.6
347.16534	4.6
349.17810	6.7
355.16962	13.9
359.16370	19.8
363.19235	5.2
373.17914	23.1
377.17374	7.5
383.16449	8.8
391.19131	10.3
401.17465	25.1
405.20633	11.2
415.19284	13.1
419.18610	21.7
421.20004	3.3
423.21643	12.8
433.20105	50.8
451.21106	51.0
461.19409	3.4
469.22238	4.1
479.20349	7.3
493.22119	12.3
511.23242	29.6
539.22528	5.2
555.23511	4.4
571.25378	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	770.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	2.3
63.80588	2.1
67.05506	5.3
68.83253	2.3
70.79784	2.7
70.80112	5.8
77.03913	3.4
79.05492	7.4
81.03401	4.7
81.07039	8.2
91.05478	10.9
93.07041	10.7
95.04975	16.7
95.08593	7.6
97.06551	3.9
103.05460	6.5
105.03394	100.0
105.04478	4.6
105.07042	18.1
107.04974	4.0
107.08566	5.3
109.06501	2.6
111.72542	2.6
115.05468	5.3
117.07020	9.2
119.04914	6.1
119.08579	13.9
121.06468	3.9
121.10194	4.4
128.06287	3.2
129.07010	4.5
131.04927	19.3
131.08577	10.0
133.06471	12.2
133.10132	12.8
135.08069	5.1
141.07036	3.0
142.07777	6.3
143.08569	11.2
145.06485	5.8
145.10127	6.6
147.04414	3.1
147.08041	8.3
149.09605	9.4
150.06833	2.5
151.07521	2.8
155.08542	7.0
156.09314	8.4
157.10158	18.8
159.08060	4.9
159.11632	4.9
161.05972	10.0
161.09550	6.2
163.11223	3.7
167.08495	3.8
169.10098	12.3
170.10945	5.5
171.08076	7.2
171.11688	32.1
173.09642	11.3
177.09181	3.5
179.07016	6.1
181.10123	3.0
183.08028	3.3
183.11722	23.3
185.09648	7.5
185.13258	24.5
187.07603	2.8
187.11194	3.1
189.05415	3.3
193.10115	4.8
194.11038	2.6
195.11707	5.0
197.09602	4.4
197.13206	5.8
199.11154	8.0
201.09218	2.8
207.11745	4.2
209.13268	5.1
211.11188	7.3
213.09006	2.5
213.12775	16.7
215.10719	3.4
215.14211	3.2
216.09383	3.6
219.11700	4.3
221.13353	4.9
223.11102	4.8
229.12306	5.4
231.11722	5.9
232.12468	3.8
233.13211	6.0
234.14009	2.6
235.11163	2.7
241.12236	4.8
243.11659	4.2
243.13887	12.1
244.12442	4.2
245.13344	4.3
245.15427	18.3
247.14931	4.4
249.12636	2.7
249.16502	3.3
258.13956	4.0
259.14850	7.0
260.15616	5.0
261.12756	3.8
261.16400	4.7
263.14200	2.9
269.13281	3.7
270.14053	4.3
271.14914	4.1
273.14825	4.1
275.14270	3.2
275.17905	3.1
285.12625	2.4
285.16476	8.4
287.17758	3.7
289.19482	2.5
297.12982	4.0
301.16064	2.7
303.17355	7.2
313.15884	6.4
315.17358	3.8
319.16711	4.2
327.17490	8.0
331.16943	10.4
343.17020	4.6
345.18579	9.2
349.18054	5.1
355.16962	6.2
359.16400	12.1
363.19598	4.5
373.17996	10.8
377.17249	9.4
377.21518	3.8
391.19022	7.1
395.22556	3.6
401.17691	4.8
403.18954	2.8
405.20651	19.9
407.22116	4.9
415.18756	5.0
419.18546	7.4
421.20224	3.3
423.21655	11.4
433.20367	17.2
451.21216	15.7
461.18802	2.7
465.23203	4.5
469.22470	4.1
479.20486	2.7
493.22260	6.9
511.23138	3.0
520.17932	3.6
529.24792	2.6
531.38843	2.8
539.22278	3.0
553.24194	3.6
571.25964	3.0
636.53485	3.0
710.31140	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	769.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.7
57.30972	0.6
66.08109	0.6
67.05519	1.5
69.03442	0.6
69.07093	1.0
79.05512	1.4
81.03443	1.8
81.07072	0.7
83.04977	4.0
91.05503	2.2
93.07076	2.0
95.05006	0.7
95.08602	0.8
103.05499	1.6
105.07062	1.3
107.08611	1.1
117.07040	1.1
119.08590	2.8
121.10146	0.8
128.06229	0.6
129.07016	1.0
131.04948	3.0
131.08589	1.4
133.10155	1.0
142.07808	0.8
143.08607	1.4
145.06552	0.7
145.10187	1.6
147.08119	0.9
149.09657	1.1
155.08592	1.0
156.09381	0.9
157.10103	2.7
159.08150	1.6
161.09689	1.5
169.10214	1.5
170.10918	1.0
171.08136	2.5
171.11687	3.4
173.09689	2.3
183.11813	2.6
185.09723	0.9
185.13318	2.8
195.11813	0.9
197.09619	0.9
197.13239	0.9
198.10460	0.9
199.11249	2.1
200.12038	0.7
211.11195	0.9
213.12761	10.3
215.10799	0.8
217.08466	0.7
231.10187	1.1
235.14928	0.8
241.12302	0.7
273.14999	2.3
295.13208	0.8
349.01007	0.6
356.16327	0.7
357.16885	2.7
359.16510	0.8
377.15982	2.4
417.18854	6.3
435.21606	1.0
456.45917	0.6
457.22012	1.7
554.47375	0.6
617.26758	0.7
649.30597	0.9
665.33264	4.2
677.29425	6.8
691.31006	0.7
705.41870	0.7
709.32098	100.0
710.32507	4.7
769.34344	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.9
55.11412	0.3
57.03452	0.3
62.98044	0.4
67.05505	2.0
69.03465	0.6
69.07038	0.5
69.85260	1.2
77.03952	0.9
79.05493	3.1
81.02998	0.3
81.03407	2.4
81.07058	1.3
83.01328	0.4
83.04952	0.5
87.31544	0.4
91.05486	4.0
93.07047	2.2
94.22659	0.4
95.01328	0.5
95.04979	7.2
95.08601	0.9
97.02905	0.6
102.04671	0.5
103.05473	52.1
105.03396	15.9
105.04443	2.3
105.06380	0.7
105.07040	8.1
107.04967	1.8
107.08588	0.7
109.06522	1.5
109.35007	0.3
111.04453	0.9
115.05438	2.3
117.07014	2.4
119.04947	1.2
119.08590	1.2
121.06503	1.7
123.04444	0.8
123.08041	0.8
125.06007	1.3
128.06238	2.1
129.06987	2.5
131.04935	100.0
131.08565	3.0
132.05257	1.3
133.06502	7.4
133.10121	0.5
135.04437	0.8
135.08043	1.8
137.05980	1.2
139.03879	0.4
141.06999	2.1
142.07771	1.3
143.08585	4.5
145.06470	3.7
145.10127	1.2
147.04388	0.7
147.08052	1.2
149.06001	1.6
149.09570	0.4
151.03870	0.7
151.07530	0.8
152.06219	0.4
153.05476	0.6
153.06998	1.2
154.07809	1.6
155.08551	2.1
156.09325	3.7
157.06461	1.5
157.10141	2.4
158.07289	1.1
159.04419	0.5
159.08069	3.1
159.11711	0.8
161.05991	10.7
161.09639	0.8
162.06850	0.4
163.07588	3.5
165.05605	0.5
165.07033	1.4
166.07814	1.3
167.07256	0.3
167.08606	1.6
168.09326	0.9
169.06488	2.7
169.10138	3.5
170.07349	0.4
170.10883	0.7
171.08029	2.7
171.11694	3.3
172.08827	0.8
173.05994	1.1
173.09630	1.4
175.07584	1.1
177.05536	0.7
177.09142	0.5
178.07771	0.7
179.07053	1.6
179.08595	2.0
180.09306	0.7
181.05013	0.4
181.06459	0.5
181.10135	1.5
182.07330	0.6
183.08051	2.3
183.11707	0.7
184.08783	2.0
185.05989	1.0
185.09648	2.8
186.10426	0.4
187.07541	2.0
187.11203	0.9
189.05472	1.0
189.09119	1.5
191.08554	0.8
192.09377	0.6
193.10170	1.0
195.08058	2.0
195.11749	0.6
196.08885	0.9
197.06007	0.6
197.09651	6.3
197.13298	0.3
198.06682	0.4
198.10295	0.6
199.07465	1.7
199.11191	8.8
201.05458	0.5
201.09039	0.8
203.06999	1.2
205.06848	0.4
205.08620	0.9
205.10274	0.7
207.08054	1.9
207.11758	0.8
208.08728	0.5
209.06009	0.8
209.09660	1.7
210.06876	0.4
210.10057	0.4
211.07617	2.0
211.11180	1.1
212.08484	0.5
213.09114	3.4
213.12708	0.4
214.09879	0.4
215.07043	1.3
215.10629	1.5
217.08594	1.2
219.08154	0.4
219.09962	0.5
219.11862	0.5
221.09637	1.1
222.10431	0.6
223.07625	1.9
223.11188	1.5
224.08270	0.6
225.09114	8.4
225.12630	0.5
226.09694	0.5
227.07039	0.9
227.10686	1.4
229.08580	1.0
229.12166	0.5
231.06487	0.6
231.11874	0.6
233.07954	0.6
233.13176	0.4
235.07495	1.2
235.09550	0.8
237.09268	0.7
237.12811	0.7
238.09871	0.5
239.06943	0.6
239.10696	1.1
241.08560	4.4
241.12389	0.6
243.06503	0.5
243.09966	2.0
245.07956	1.8
245.13406	0.6
246.13899	0.5
247.09663	1.2
249.09142	1.0
249.12794	0.7
251.07086	0.9
251.10735	1.0
253.08623	1.5
253.12282	0.9
255.09956	1.9
257.07977	2.7
257.11749	1.0
259.09787	1.3
263.10776	0.6
265.08487	0.6
267.09998	2.5
269.11780	0.7
271.09488	0.7
272.12064	0.4
273.12997	0.7
275.09967	0.4
277.08542	0.6
277.12537	0.4
279.10223	0.4
281.11819	0.5
283.09641	1.2
285.11227	3.2
286.13254	0.4
291.09940	0.5
301.10773	1.2
301.15823	0.5
303.12335	2.3
313.12192	0.5
315.13794	0.6
315.17368	0.6
317.15436	0.6
324.11456	0.5
329.15054	0.8
331.16898	0.6
339.13489	0.8
341.15143	0.8
343.13138	0.8
345.14838	0.8
347.16400	0.6
349.17856	0.7
355.13278	0.7
357.14920	1.7
359.16031	1.2
361.14450	0.6
363.16080	0.5
367.13376	0.7
369.14560	0.5
373.14371	1.4
375.15900	0.9
377.17447	1.2
379.15472	0.4
385.14255	1.6
391.15540	0.8
393.17047	0.7
395.18768	0.6
401.13742	0.9
403.15387	2.9
405.17056	0.7
413.13809	1.1
417.16895	0.6
419.14694	0.8
421.16299	1.4
427.15561	0.5
431.14713	1.9
433.16528	3.6
435.17984	0.7
445.16406	2.1
449.15811	2.0
451.17545	3.7
463.17526	9.3
469.18393	0.4
481.18588	5.0
499.19333	0.8
555.19977	0.5
593.21497	0.6
599.22693	2.6
603.22290	0.8
611.22742	6.1
629.24011	3.4
638.14288	0.4
647.24579	0.5
733.26221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
55.05510	1.1
60.55898	0.7
63.63022	0.6
67.05489	2.8
69.03432	1.8
71.04996	0.7
71.49439	0.6
77.03935	2.2
79.05489	4.9
81.03423	3.6
81.07061	1.9
83.04994	1.1
91.05496	5.9
93.07047	2.3
95.04973	13.5
95.08595	1.8
97.02887	1.4
97.06521	0.8
98.20738	1.8
103.05474	55.0
104.05849	0.8
105.03400	47.8
105.04519	2.9
105.07040	11.5
107.04970	2.7
107.08599	1.0
109.06548	1.5
109.71408	0.6
115.05469	4.4
117.07007	4.3
119.04962	1.5
119.08598	3.1
121.02887	0.7
121.06505	3.3
123.04461	1.3
125.05991	2.3
128.06204	4.2
129.07004	4.7
130.07802	0.9
131.04936	100.0
131.08585	4.6
132.05269	1.7
133.06506	9.0
133.10147	1.0
135.04410	1.9
135.08072	2.6
137.06007	2.2
141.06958	3.2
142.07761	3.0
143.08560	6.8
145.06499	4.7
145.10153	2.3
147.08041	2.1
149.05991	2.9
149.09625	0.8
152.06253	0.7
153.05487	0.8
153.06935	1.5
154.07814	2.4
154.33133	0.7
155.08553	4.6
156.09396	4.9
157.06548	1.1
157.10136	4.0
158.07272	2.1
159.08054	4.4
159.11700	1.0
161.04625	1.3
161.05984	20.9
161.09593	1.2
162.06761	0.7
163.07550	4.7
165.05595	1.1
165.07025	1.5
166.07782	1.2
167.08621	3.0
168.09395	0.7
169.06462	3.2
169.10127	6.4
170.07199	1.0
170.10915	1.9
171.08122	4.5
171.11656	4.5
172.08815	1.1
173.06039	1.8
173.09593	1.6
173.13289	0.9
175.07590	1.8
177.09158	1.1
178.07773	1.5
179.07036	2.3
179.08568	3.5
181.06415	1.0
181.10143	2.4
182.07286	1.3
183.08075	4.6
183.11699	1.1
184.08826	2.9
185.05989	1.3
185.09662	3.6
187.07542	3.4
187.11203	2.4
189.05518	1.2
189.09128	1.5
192.09465	0.8
193.10173	1.4
195.08054	1.6
195.11621	1.1
196.08891	1.4
196.24353	0.7
197.05966	0.9
197.09627	9.3
198.10350	1.2
199.07582	3.0
199.11186	13.8
201.09100	1.4
203.07019	1.0
205.08630	1.8
207.08145	2.4
207.11807	0.9
208.08917	0.8
209.09657	2.7
209.13098	0.7
211.07574	2.5
211.11212	2.2
213.05476	0.6
213.09096	5.9
215.07022	1.6
215.10718	2.9
217.08560	2.0
219.10098	1.0
221.09558	0.8
223.07562	2.4
223.11244	1.7
224.08328	0.9
225.09116	13.3
227.07039	1.2
227.10698	1.8
229.08629	1.9
229.12262	0.9
231.06555	1.3
233.07974	1.3
235.07509	2.2
235.09557	1.1
235.11472	1.1
237.09109	1.2
237.12794	1.3
239.07085	1.0
239.10692	2.3
241.08524	6.4
243.10085	3.2
245.07913	1.7
247.09743	2.6
249.09271	0.9
251.07069	1.0
251.10690	1.7
253.08684	2.4
255.10204	2.8
257.08078	9.4
257.11661	3.2
259.09573	6.7
261.09183	1.2
261.12491	0.9
263.10846	1.3
267.10220	3.1
269.08127	1.0
271.09415	1.3
273.11102	1.0
275.14374	0.7
279.10190	0.9
283.09668	2.2
285.11288	5.3
287.14545	1.0
289.12451	1.0
289.15997	0.8
291.09958	0.8
301.10718	4.6
301.15884	1.1
303.12390	2.5
307.09711	1.1
315.13861	1.0
317.15424	1.1
329.15439	1.4
331.17087	1.6
339.13715	1.4
341.11487	0.9
341.15311	0.8
343.13382	1.0
355.13531	1.2
357.14810	2.3
359.16266	1.9
361.14624	0.8
367.13318	1.1
369.13852	1.1
373.14432	2.0
375.15991	1.5
377.17538	1.0
385.14563	3.6
387.15860	1.3
391.15442	1.6
393.17157	0.8
395.18637	1.6
401.13770	1.6
403.15277	4.0
407.14822	4.1
413.14194	1.6
415.15021	1.0
417.17065	2.1
419.14914	1.1
421.16199	1.2
423.14502	4.2
425.16336	1.3
431.14929	2.3
433.16507	2.6
445.16476	3.5
449.16187	1.6
451.17633	2.4
463.17441	12.5
481.18628	6.6
499.20166	0.9
555.19989	1.2
567.20178	1.8
573.21191	2.7
585.21387	8.1
593.22137	0.9
603.22363	7.0
691.26038	1.0
733.25494	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
55.05505	2.6
56.63736	0.3
57.03430	1.1
57.07058	0.5
59.04987	0.7
60.70516	0.3
61.02919	1.0
67.05493	2.5
68.99779	0.6
69.03430	5.8
69.07064	2.0
69.40128	2.5
71.04991	2.5
73.02914	1.3
79.05476	2.4
81.03416	5.4
81.07059	6.2
83.01340	0.4
83.04976	1.0
83.08619	1.1
84.04494	0.4
85.02905	14.0
87.00827	5.1
87.04464	0.5
91.03931	0.4
91.05478	3.1
92.04998	0.4
93.07050	5.2
95.04993	0.9
95.08608	7.2
97.02888	5.4
97.06519	1.5
97.10160	0.3
99.04456	2.4
102.05468	0.3
103.05445	0.3
105.01866	3.0
105.07029	5.6
107.08591	8.3
109.02879	3.5
109.06532	1.0
109.10150	4.1
111.08099	1.4
117.01831	0.6
117.07021	1.9
118.06567	0.8
119.08581	7.3
121.06496	0.8
121.10134	5.2
123.08067	1.2
123.11693	1.4
125.09619	2.4
127.02971	0.4
127.03913	7.3
128.06172	0.6
129.01840	0.9
129.07011	1.4
131.04927	0.4
131.08572	5.8
133.06462	0.5
133.10127	7.0
135.08058	1.2
135.11682	3.0
137.09607	1.0
139.07547	0.4
141.06981	0.4
141.09134	0.4
142.07794	1.3
143.08557	5.0
145.04968	2.9
145.06436	0.4
145.10115	11.2
147.08047	1.0
147.11681	5.2
149.09598	1.5
149.13257	1.3
151.11171	0.7
153.09119	0.3
155.08539	1.7
155.10590	0.4
156.09290	1.9
157.10129	6.3
159.02911	2.2
159.08070	0.7
159.11688	7.8
161.09608	1.8
161.13251	3.1
162.09119	0.4
163.11180	1.4
163.14839	0.8
165.09134	0.9
165.12732	0.7
165.52049	0.3
167.08592	0.4
168.09380	0.4
169.10129	2.5
170.10922	0.9
171.11691	4.4
173.09560	0.5
173.13268	5.5
175.11191	1.0
175.14813	2.0
177.09120	1.7
177.12767	0.5
177.16425	0.9
179.10709	0.6
181.10176	1.3
183.11696	3.7
185.09703	0.6
185.13254	19.5
186.13756	0.4
187.11244	0.9
187.14806	6.7
189.09103	0.6
189.12743	1.1
189.16406	1.2
191.10654	1.6
191.14261	0.5
193.12323	0.3
195.11694	1.4
196.12488	0.4
197.09756	0.3
197.13268	2.4
199.11107	0.5
199.14816	14.1
200.10777	0.3
201.12772	0.6
201.16356	3.2
202.15977	0.5
203.14284	3.2
203.17937	0.4
205.15868	2.1
207.11722	0.5
209.13316	1.2
210.32590	0.3
211.14857	3.1
213.03969	0.3
213.12817	0.6
213.16418	3.8
215.14201	0.5
215.17978	0.6
217.15878	5.0
219.11720	0.5
219.13867	0.3
219.17464	0.6
221.13313	0.7
221.15387	0.7
223.14795	1.6
225.12796	0.4
225.16370	1.7
227.14226	0.5
227.18007	1.3
229.15961	0.7
230.15370	1.9
231.05055	1.6
231.13805	0.7
231.17467	0.9
233.13130	0.4
235.14928	0.6
235.16968	0.4
237.16354	1.9
239.17957	0.9
241.12317	0.4
241.15785	0.3
243.17540	0.8
245.15431	1.5
248.16603	0.4
249.16551	0.7
249.18588	0.4
251.17949	1.1
253.19574	1.1
263.16498	1.3
265.19528	0.6
267.15906	0.7
269.19067	0.6
271.20718	0.3
275.18134	0.4
279.21237	0.6
281.17444	1.0
281.22586	0.7
291.21054	1.2
293.22614	5.6
304.19070	0.5
305.22595	0.7
309.18600	0.4
309.22144	0.7
311.23557	3.3
323.23389	0.4
331.24167	0.5
337.25348	0.5
349.25281	1.3
351.23050	0.4
359.23386	0.4
360.17999	1.7
365.24649	0.4
367.26266	0.9
377.24619	2.3
383.25690	0.5
395.25821	3.0
399.25278	0.4
403.30310	0.5
411.25467	1.2
413.26828	4.2
421.31107	0.5
431.29044	0.9
437.30499	0.9
439.32132	0.4
449.30566	5.3
455.31573	3.8
457.33508	0.4
467.31601	13.4
473.32184	0.5
485.32629	15.3
488.93933	0.3
503.33661	100.0
504.33984	1.8
546.63257	0.3
556.29095	0.5
557.29327	1.3
588.31873	0.5
606.32446	2.5
740.53772	0.3
768.38123	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.6
55.05517	3.1
57.03432	1.4
57.07074	0.9
59.04986	0.7
61.02914	1.1
61.57167	0.3
65.03927	0.5
67.05500	2.9
68.99793	1.1
69.03075	0.5
69.03431	7.1
69.07069	2.1
70.06604	0.7
71.05000	2.3
71.55698	0.4
72.04551	0.3
73.02923	2.2
79.05491	3.8
81.03423	6.8
81.07063	7.6
83.04990	2.3
83.08620	1.3
84.04482	0.5
85.02907	21.2
85.06524	0.6
86.06017	0.4
87.00832	8.3
87.04478	0.5
88.07639	0.4
91.03957	0.8
91.05477	4.2
92.04993	0.5
93.07052	7.9
95.04967	1.3
95.08611	11.8
97.02903	7.5
97.06541	1.7
97.10188	0.8
99.04456	3.0
103.05471	0.3
104.07119	0.4
105.01876	3.9
105.07035	8.6
107.04979	0.6
107.08601	12.0
109.02878	5.9
109.06540	0.9
109.10162	6.6
111.08087	1.9
115.03922	0.4
116.06277	0.4
117.01858	0.9
117.07009	2.4
118.06551	1.2
119.08591	10.1
120.08141	0.5
121.06498	0.8
121.10151	8.4
123.08092	1.4
123.11703	1.5
125.09646	3.2
127.03925	9.4
128.06248	1.1
129.01846	1.2
129.07034	2.6
130.07756	0.5
131.04930	0.8
131.08569	8.4
132.08026	0.3
133.06491	0.3
133.10139	9.8
135.08075	1.2
135.11688	3.7
137.05989	0.5
137.09630	1.3
137.13245	0.4
139.07520	0.5
139.11250	0.5
141.07016	0.9
141.09146	0.7
142.07787	1.4
143.08571	7.9
144.09364	0.8
145.04976	2.8
145.06090	0.3
145.10126	15.3
146.08138	0.6
147.08061	1.1
147.10519	0.4
147.11691	7.0
149.09590	2.3
149.13310	1.9
151.11208	0.4
155.08560	2.8
156.09378	1.7
157.10138	9.5
158.10907	0.5
159.02887	3.0
159.08101	0.9
159.11696	10.9
161.09624	3.0
161.13257	5.0
162.09126	0.5
163.07552	0.7
163.11203	2.3
163.14851	0.8
165.09119	0.9
165.12776	0.7
167.08623	0.4
167.10768	0.4
168.09377	0.4
169.10129	3.4
170.10880	1.5
171.08047	0.5
171.11688	5.5
172.12379	0.4
173.09641	1.1
173.13272	6.9
175.11177	1.9
175.14864	2.6
177.09119	1.7
177.12759	0.8
177.16400	1.0
179.10776	0.5
181.10152	1.9
182.10959	0.4
183.11713	5.2
184.12479	0.5
185.13266	21.4
187.11229	1.0
187.14836	8.3
189.09102	1.0
189.12775	1.1
189.16400	1.6
191.10699	2.2
191.14282	0.7
193.08571	0.5
193.10225	0.7
193.12225	0.4
194.11052	0.4
195.11726	2.2
197.09657	0.4
197.13293	3.9
199.11154	0.7
199.14844	17.2
201.12827	0.8
201.16379	4.4
202.15944	0.7
203.10844	0.4
203.14311	3.3
203.17949	0.6
205.15929	2.6
207.11716	0.7
208.12643	0.4
209.13326	2.3
211.11345	0.5
211.14862	2.9
213.03972	0.6
213.12869	0.6
213.16359	4.8
215.14392	1.2
215.17888	0.8
217.12366	0.4
217.15852	5.7
217.17921	0.4
219.17488	0.7
221.13405	0.8
221.15309	0.6
223.14861	2.2
225.12900	0.5
225.16353	2.7
227.14435	0.6
227.17981	1.5
229.15938	1.2
230.15396	3.7
231.04982	1.3
231.13838	0.9
231.17378	0.7
233.13341	0.5
233.15392	0.5
235.14883	1.4
237.16418	2.8
239.18036	1.2
243.17548	0.8
245.15425	1.3
248.16145	0.4
249.06068	0.4
249.16595	0.6
251.18089	1.5
253.15730	0.5
253.19543	1.2
255.17400	0.5
257.18964	0.5
263.16510	1.4
265.19562	1.0
279.21011	0.5
281.17563	0.6
281.22809	0.7
289.19592	0.6
291.17984	0.4
291.21231	1.0
293.22623	5.9
304.19131	0.9
305.22595	0.8
309.22156	0.9
311.23660	3.2
319.24274	0.5
323.20313	0.4
331.24115	0.5
337.25201	0.5
349.25201	1.6
355.26538	0.4
360.18106	2.8
365.25095	0.5
367.26440	0.9
377.24829	2.7
381.24072	0.4
395.25717	2.9
399.25308	0.4
403.30029	0.9
409.27518	0.4
411.25446	1.0
413.26859	5.0
421.31110	1.1
425.26199	0.4
427.28375	0.5
431.29327	1.4
437.30569	0.5
439.32312	0.6
449.30499	4.5
452.22620	0.5
455.31708	3.6
456.23911	0.4
467.31595	14.8
473.32748	0.5
485.32657	14.8
503.33710	100.0
504.34122	2.9
540.25488	0.4
557.29437	1.3
588.31726	0.9
606.32440	4.2
669.30756	0.4
754.65027	0.4
768.38330	1.9
769.39587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62757	1.2
55.01864	2.0
59.10459	1.5
63.05037	1.3
67.05504	2.8
69.03432	6.6
71.50736	1.1
79.05479	4.5
81.03415	2.6
91.05487	4.4
93.07064	2.9
95.01344	1.9
95.04986	8.6
96.37374	1.5
98.21506	3.6
103.05479	48.3
105.07029	9.1
109.06510	3.1
115.05460	3.9
117.07000	2.3
119.04939	1.4
119.08586	2.7
121.06551	1.7
123.08060	1.5
128.06250	3.0
129.07002	1.6
130.07695	1.5
131.04941	100.0
131.08556	4.8
132.05269	1.6
133.06480	10.1
135.08076	3.1
137.06013	1.6
139.03839	1.5
141.06998	3.1
142.07800	2.8
143.08568	3.9
145.06482	5.1
149.05966	2.6
154.07835	1.8
155.08569	2.3
156.09348	4.0
157.06447	1.6
157.10139	3.2
159.08084	3.5
161.06004	14.4
163.07532	5.1
167.08575	2.1
169.06523	3.3
169.10159	6.5
170.10919	2.0
171.08118	4.5
171.11687	4.0
172.08846	1.7
173.09547	1.5
179.07045	1.7
179.08534	1.8
181.10075	2.0
183.08128	3.7
183.11641	2.3
184.08858	2.3
185.09656	2.5
187.07579	2.8
187.11246	3.4
193.10153	3.4
195.08098	1.5
197.09607	7.5
199.07497	3.0
199.11211	8.8
201.09024	1.7
209.27765	1.3
211.07558	1.5
213.09109	5.2
215.10616	3.0
217.08563	2.3
221.09564	1.5
223.07544	2.5
225.09126	10.3
227.10718	2.3
239.10645	2.5
241.08620	4.7
243.10139	3.4
247.09714	4.2
247.15060	1.6
251.10521	1.8
253.08562	1.4
255.10216	2.4
257.08105	8.6
257.11694	1.5
258.67456	1.5
259.09714	3.7
263.10962	1.9
267.10129	2.0
279.10165	1.5
283.09384	2.6
285.11334	4.7
289.68225	1.5
301.10828	3.8
303.12204	2.8
357.14661	1.9
359.16339	1.6
361.14056	1.5
371.15231	3.4
385.14331	2.8
387.14169	6.7
401.13535	1.6
403.15436	2.7
431.52747	1.4
445.16537	1.8
451.17419	2.6
463.17493	11.0
481.18521	5.2
537.21198	2.8
549.21027	6.9
567.22144	8.8
585.23767	1.5
640.34375	1.9
698.27087	1.5
766.28076	1.4
768.91876	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	13.3
55.05505	14.8
56.58847	3.8
57.03430	4.5
57.07088	5.8
63.59029	3.8
65.25005	4.9
67.05515	34.0
69.03434	72.4
69.07071	21.7
70.06591	4.7
71.04990	8.3
71.55725	5.0
71.56120	4.7
73.72174	3.9
73.79607	4.2
74.09739	5.5
79.05499	25.5
81.03432	23.5
81.07058	38.6
83.04974	14.7
83.08633	9.5
85.02904	28.3
87.04453	13.9
91.05485	34.9
93.07033	47.9
95.04968	12.7
95.08606	43.9
97.02885	14.1
97.06536	31.1
99.04451	7.6
103.05470	18.1
105.03391	5.1
105.07036	62.2
107.04951	5.9
107.08598	57.0
109.02900	8.5
109.06528	15.3
109.10174	23.6
111.08090	7.8
115.05493	5.0
116.07062	4.9
117.07021	24.1
119.08590	84.0
120.08963	4.0
121.06504	14.3
121.10146	38.4
122.53880	4.0
123.08093	11.3
123.11733	10.2
125.09595	9.2
127.03925	19.5
128.06233	11.1
129.07005	20.8
131.04936	29.2
131.08572	50.7
133.06500	10.2
133.10117	48.9
135.08012	12.4
135.11703	19.5
137.05972	5.4
137.09586	4.9
139.07556	14.1
141.06993	10.3
142.07785	13.7
143.08551	35.8
144.09370	11.7
145.06503	6.5
145.10135	61.9
146.08220	5.5
147.08034	20.8
147.11682	47.9
149.09581	9.3
151.07603	4.7
155.08609	25.8
156.09360	13.4
157.10135	64.7
159.08063	12.8
159.11696	59.8
161.09647	12.8
161.13271	28.9
163.11166	4.7
165.07056	6.2
165.09082	7.2
167.08604	12.3
168.09410	6.5
169.10138	43.9
170.10902	8.9
171.08072	6.1
171.11697	65.7
173.09663	13.2
173.13300	38.4
175.11127	11.4
175.14835	8.7
177.09071	8.7
177.12794	4.9
179.08577	9.2
179.10689	5.3
180.09251	5.1
181.10133	25.7
182.10878	7.6
183.10225	7.8
183.11688	47.4
184.12431	5.3
185.08070	11.2
185.09605	10.6
185.13268	49.7
187.07570	4.9
187.11224	6.3
187.14832	28.4
189.09132	8.3
189.12697	9.4
189.16386	8.3
191.10754	8.5
193.08586	5.9
193.10175	12.8
194.10933	6.7
195.11726	31.8
196.12451	5.7
197.13280	36.6
199.11191	12.5
199.14833	18.4
201.12793	6.0
201.16336	9.2
205.08482	5.7
207.10056	6.1
207.11723	12.3
209.09821	4.9
209.11534	7.3
209.11894	4.6
209.13338	32.1
210.13982	9.5
211.14879	32.8
213.09285	5.1
213.12778	14.0
213.16383	18.3
215.14349	9.7
215.17990	5.9
217.07040	6.8
219.11734	9.3
221.13388	10.6
223.14879	23.1
225.12827	8.7
225.16354	34.0
227.14319	7.8
227.17952	5.1
229.15877	5.5
231.13866	14.4
233.13332	8.0
235.14890	14.5
237.12712	5.4
237.16356	14.4
238.17178	6.0
239.14281	7.1
239.18001	24.1
240.18755	55.2
241.19571	20.0
247.14984	7.9
249.16425	14.7
251.14320	5.5
251.17972	9.7
253.15839	5.9
255.17348	5.6
263.17877	6.7
265.15936	5.0
265.19510	17.6
267.20987	8.0
273.14874	4.5
279.17453	5.0
279.21024	7.0
280.21823	4.7
281.22559	7.5
289.19156	5.9
291.20920	6.0
299.16528	4.8
307.20410	10.2
309.22101	16.3
325.18100	7.0
327.16058	4.9
327.19806	9.3
330.82840	4.6
337.16110	4.9
339.19458	4.7
349.25137	8.1
355.22760	56.2
359.23627	6.3
369.24115	5.8
373.23764	100.0
377.24725	20.0
381.20126	4.4
381.24353	31.3
395.25946	42.0
399.25494	46.8
405.24225	12.5
411.25403	12.4
413.26990	26.7
417.26309	9.5
423.25305	61.4
441.20251	4.3
441.26334	67.3
459.27301	17.3
521.27972	7.4
534.24786	7.6
545.26886	11.8
585.30280	17.8
603.31732	40.9
707.32397	18.7
736.23010	4.7
767.38751	5.9
776.12933	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	767.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
60.14018	0.6
65.03944	1.0
67.05503	2.1
69.03434	1.2
69.20055	0.9
69.20459	5.9
70.06584	0.9
71.04997	1.0
77.03938	0.9
78.42557	0.6
78.80504	0.6
79.05482	2.9
81.03412	2.5
81.07048	2.7
83.04974	1.7
84.08136	0.7
85.02895	1.0
87.04470	0.8
91.05492	3.8
93.03425	0.9
93.07055	2.3
95.04964	5.7
95.08617	1.1
97.02895	1.3
97.06547	1.0
100.07519	0.5
101.15682	0.6
102.04690	0.9
103.05473	48.5
105.03399	0.7
105.04508	0.9
105.07036	6.0
107.04953	1.7
107.08607	1.4
109.02859	0.7
109.06514	2.3
111.04436	1.0
111.08047	0.7
115.05443	1.7
117.07050	2.4
119.04948	1.0
119.08600	2.3
121.06531	2.5
121.10167	0.5
123.04451	1.2
123.08100	0.7
125.05961	1.3
127.03989	0.7
128.06279	2.9
129.07022	2.3
131.04938	100.0
131.08566	2.9
132.05257	1.7
133.06506	3.0
133.10153	1.0
135.04457	1.3
135.08064	1.8
137.05978	1.9
141.07014	2.3
142.07805	2.0
143.08591	5.0
145.06502	2.8
145.10129	1.1
146.08109	1.4
147.04448	0.9
147.08090	1.9
149.06009	1.9
151.07574	1.4
153.05511	0.9
153.06973	0.8
154.07765	1.6
155.08553	2.0
156.09352	2.8
157.06485	1.5
157.10118	2.4
159.08121	3.1
159.11716	1.1
161.05984	7.6
161.09653	1.1
163.07565	1.8
165.05608	0.8
165.07028	1.6
166.07788	1.2
167.08655	1.8
168.09341	0.9
169.06516	1.9
169.10167	3.7
170.10873	0.8
171.08086	2.8
171.11699	4.3
172.08879	0.8
173.05974	1.7
173.09674	1.6
175.07521	1.6
177.05515	0.9
179.07091	1.0
179.08635	1.6
181.06522	0.7
181.10089	1.3
183.08099	3.0
183.11728	2.3
184.08846	3.2
185.09633	2.2
187.07559	1.7
187.11176	1.1
189.09064	1.0
192.09280	0.6
193.10144	1.5
195.08163	1.4
195.11639	0.7
196.08833	0.8
197.06155	0.7
197.09595	5.2
198.10379	1.7
199.07545	1.8
199.11205	16.8
201.09145	1.6
205.08633	1.1
207.08066	1.1
207.11691	1.2
209.05801	0.8
209.09708	2.1
210.93848	0.6
211.07576	1.0
211.11208	2.6
213.09109	2.2
213.12851	0.9
215.06998	0.8
215.10693	1.6
217.08626	1.1
220.12350	0.6
221.09776	1.3
223.07628	0.9
223.11130	0.8
225.09103	14.2
225.11122	1.1
227.07126	0.9
227.10579	1.1
229.08528	1.2
229.12250	0.8
233.08072	1.8
237.09091	0.9
239.10715	1.6
241.08609	2.7
243.10185	1.7
247.09573	1.7
248.11891	0.8
249.08928	0.7
251.10713	1.2
253.08536	0.8
255.10149	1.2
257.08112	2.1
257.11807	2.1
259.09531	0.8
263.10760	1.0
263.14417	0.8
267.10223	1.1
269.11682	1.3
271.11246	0.7
285.11252	5.9
293.11789	0.7
301.10938	2.0
303.12381	1.8
309.25018	0.7
313.12546	0.8
315.13968	0.7
319.12314	1.2
331.12924	0.8
337.14243	1.0
339.12106	0.7
347.16522	0.9
357.14578	0.8
361.14313	0.9
375.16022	1.1
385.14395	1.0
387.14484	2.4
389.13773	0.9
391.15393	1.4
395.18509	1.0
403.15289	1.9
405.17020	0.9
413.13931	1.0
421.16272	1.4
422.72769	0.6
431.14789	0.8
437.15762	0.6
449.15717	0.9
451.17633	2.0
453.19345	0.7
463.17487	2.5
467.17380	1.0
481.18695	5.8
535.19501	3.0
540.22943	0.6
551.19257	0.8
553.21008	0.9
565.20990	1.5
569.20453	1.1
583.21741	8.1
601.22906	1.4
713.25690	0.9
731.26611	2.2
749.28180	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
57.03430	0.4
59.42514	0.4
64.96299	0.4
67.05495	1.5
69.03431	0.7
69.99426	1.8
75.70853	0.4
77.03928	1.1
79.05495	2.1
81.03416	1.8
81.07049	0.6
83.04942	0.5
91.05489	3.0
93.07045	1.2
95.04971	8.4
95.08600	0.6
97.02919	0.4
98.20856	0.7
100.07636	0.5
102.04594	0.5
103.05471	44.1
105.03378	0.4
105.04478	0.4
105.07024	6.1
107.04923	0.9
107.08611	1.2
109.06537	0.9
111.04414	0.7
112.39391	0.4
113.42791	0.4
115.05420	2.3
116.06281	0.5
116.26959	0.3
117.07018	2.0
119.04942	1.1
119.08564	1.4
121.02864	0.7
121.06517	1.4
123.04414	1.2
128.06253	1.8
129.07002	2.5
131.04933	100.0
131.08560	3.5
132.05225	0.9
133.06494	5.4
135.08034	1.8
137.05988	0.5
139.03937	0.6
141.07045	1.8
142.07758	1.7
143.04951	0.5
143.08577	4.0
145.06516	2.5
145.10135	1.3
146.08148	1.0
147.04500	0.4
147.08142	1.5
149.06003	1.1
151.07559	0.7
153.05591	0.5
153.07050	1.0
154.07811	0.9
155.08559	2.3
156.09367	2.3
157.06508	1.3
157.10117	1.7
158.07256	0.6
159.04366	0.6
159.08083	3.4
159.11702	0.6
161.05983	10.9
161.07254	0.8
161.09645	1.1
161.50824	0.4
162.06833	0.6
163.03972	0.6
163.07558	2.3
165.07057	1.1
166.07745	1.0
167.08611	1.4
169.06454	2.4
169.10080	3.0
170.07262	0.5
170.10953	0.8
171.08040	2.7
171.11673	1.9
172.08859	1.2
173.05968	1.1
173.09653	1.6
175.07568	1.2
177.05505	0.6
177.09082	1.0
178.07697	0.4
179.07045	1.0
179.08629	1.3
181.06512	0.4
181.10072	0.7
182.07314	1.2
182.10905	0.6
183.08018	2.0
183.11703	0.9
184.08867	1.8
185.06052	0.9
185.09596	2.7
187.07553	3.0
187.11264	1.0
189.05406	0.4
189.09097	0.8
191.06961	0.5
192.09422	0.4
193.10225	0.7
195.08098	0.9
195.11711	1.2
196.09052	0.5
197.05916	0.6
197.09621	3.7
198.10312	0.7
199.07538	3.1
199.11180	7.8
199.12857	0.7
201.09091	1.5
202.07820	0.6
203.06958	0.6
205.08572	2.4
206.10966	0.5
207.06424	0.6
207.08148	0.8
207.09932	0.5
209.09637	1.5
211.07588	1.2
211.11189	0.8
213.05653	0.7
213.09090	3.8
215.07047	1.2
215.10591	2.2
217.06772	0.4
217.08440	1.8
217.12115	0.6
218.10828	0.4
219.10065	0.7
219.11899	0.6
221.09676	0.9
222.10374	0.6
223.07533	1.2
223.11179	0.9
225.05525	1.2
225.09129	5.5
225.12717	0.6
227.07092	1.2
227.10701	1.3
229.08458	0.8
231.10069	0.6
233.08051	8.5
233.10065	0.7
235.07483	0.9
235.09505	0.9
237.09035	0.7
239.10698	0.9
241.08530	3.8
243.06476	0.7
243.10196	1.8
244.07182	0.8
245.08159	1.3
247.09425	1.9
251.10722	0.6
255.10236	1.6
257.08093	13.4
257.11636	0.8
258.08560	0.6
259.09552	7.2
261.11276	1.2
263.10892	0.5
265.10510	0.5
267.10257	0.6
271.09625	1.1
272.11768	0.5
273.11356	0.6
275.09152	1.2
285.11090	2.6
291.13992	0.5
297.12048	0.4
301.10635	6.5
301.15701	0.4
303.12271	3.1
315.13678	0.4
319.11740	2.6
321.13394	1.2
329.15247	0.9
343.13315	0.5
345.14917	0.8
347.16779	0.6
357.14658	1.1
359.16650	1.0
365.17419	0.5
367.13715	0.6
373.14328	1.0
375.15622	1.0
377.17435	1.0
383.12341	0.4
385.14398	1.8
395.18427	0.5
401.13828	1.7
403.15399	2.6
405.15451	1.4
413.14142	0.7
417.17084	1.1
419.14847	0.8
421.15796	1.5
431.14868	1.2
433.16611	0.9
435.18811	0.4
437.15921	0.7
439.17700	0.6
445.16452	1.7
449.15939	1.4
451.17480	1.4
463.17575	4.7
467.17126	0.5
469.18561	0.8
481.18628	4.2
497.18353	0.9
499.19714	2.8
517.20868	1.8
535.19702	2.2
551.19177	1.6
553.20789	1.6
565.20795	0.7
571.21631	0.5
583.21625	1.2
601.22729	1.3
619.23193	0.5
699.24628	1.2
713.25708	1.8
731.26935	5.6
749.28058	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	767.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.05504	0.6
58.91259	0.4
60.86798	0.3
66.69015	0.4
67.05498	0.8
67.38491	0.4
69.03428	1.0
69.36900	0.4
77.03931	1.2
79.05492	1.0
81.03409	0.8
81.07044	0.7
83.04974	1.5
91.05481	2.4
93.07051	1.2
95.04976	6.9
97.02921	0.6
102.04726	0.5
103.05476	53.7
104.05856	0.5
105.03401	0.7
105.04517	0.4
105.07039	4.3
107.04964	0.9
109.06557	0.9
115.05465	1.3
116.07096	0.6
117.06995	1.1
119.04974	1.0
119.08569	1.4
121.06497	1.6
123.04472	0.5
128.06221	2.0
129.06999	1.4
130.07849	0.5
131.04936	100.0
131.08580	2.0
132.05298	0.9
133.06500	3.5
133.10127	0.6
135.08089	1.1
137.05994	0.8
139.03894	0.6
141.07011	1.1
142.07787	0.8
143.08588	1.8
145.06477	2.1
145.10144	1.3
147.04404	0.4
147.08061	1.3
149.05991	0.6
154.07774	0.5
155.08568	1.3
156.09383	1.4
157.06532	1.0
157.10150	1.5
159.08080	2.5
161.05992	6.8
161.09656	0.8
163.07541	1.9
165.05450	0.6
165.06972	0.8
167.08498	0.7
169.06544	1.4
169.10129	1.3
171.08072	1.3
171.11691	1.5
172.08945	0.5
173.06038	0.8
173.09625	1.1
175.07596	1.1
177.05469	0.5
177.09126	0.6
179.07065	1.2
179.08568	0.5
181.10062	0.6
182.07291	0.7
183.08063	1.7
183.11658	0.8
184.08879	1.0
185.05983	0.6
185.09619	1.6
185.13272	0.4
187.07591	2.2
187.11211	1.0
189.09151	0.7
192.09332	0.6
195.08183	0.6
196.08829	0.7
197.05966	0.7
197.08043	0.4
197.09669	2.2
199.07558	1.5
199.11160	3.8
201.09161	1.0
201.12766	0.6
203.07057	0.8
205.08598	1.2
207.11758	0.7
209.09750	0.8
211.07607	0.7
212.08423	0.5
213.09137	2.4
213.12675	0.6
215.07002	0.9
215.10689	1.0
217.08595	1.3
219.10126	0.7
221.09642	0.5
223.07594	0.6
223.11241	0.7
225.05421	0.5
225.09125	2.8
225.12836	0.6
227.07027	0.8
227.10649	0.5
229.12241	0.5
230.10826	0.8
231.09874	0.6
233.07988	3.5
235.11487	0.5
237.09091	0.8
241.08414	2.3
243.10075	0.9
245.08017	0.9
245.11874	0.6
247.09706	1.3
251.10695	0.9
257.08060	8.4
259.09622	4.5
261.11365	1.0
265.10776	0.6
271.09720	0.7
273.11508	0.8
275.14410	0.6
284.12030	0.7
285.11295	1.5
289.12305	0.8
291.13992	0.5
301.10645	5.2
301.15771	0.5
303.12344	1.8
315.13303	0.5
319.11960	1.6
329.15271	0.5
331.16956	0.6
357.14545	0.5
359.16483	0.6
367.13464	0.7
375.15286	0.5
383.12766	0.5
385.14258	1.3
401.13675	1.3
403.15472	2.0
405.15564	1.2
413.13943	0.8
415.15167	0.7
419.14337	1.0
421.16064	1.7
431.14932	1.0
433.16675	0.7
437.15884	0.6
439.17694	0.5
445.16470	1.3
449.15823	1.3
451.17682	1.0
463.17426	2.8
481.18347	2.9
497.18179	0.7
499.19681	1.8
505.18076	0.6
517.20587	1.3
535.19568	1.2
551.18884	0.9
583.21826	0.8
601.22290	0.8
713.26440	0.8
731.27124	3.7
749.27808	3.7
767.39282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.3
67.05515	2.2
69.07069	1.8
69.40888	5.8
69.41296	3.0
79.05477	4.4
81.03411	2.8
81.07041	2.5
83.04981	13.8
85.02910	1.5
91.05497	7.2
93.07044	4.8
95.04961	4.1
95.08611	1.6
98.21576	1.8
103.04792	2.5
103.05479	52.2
104.05797	3.4
105.04542	1.3
105.07047	11.7
107.04967	3.0
107.08596	3.9
108.39959	1.1
109.06520	3.6
115.05460	3.1
117.07026	7.8
119.04915	1.9
119.08588	11.4
121.06553	2.4
121.10129	1.9
128.06210	2.5
129.06995	3.4
130.07761	1.3
131.04939	100.0
131.08578	7.0
132.05266	6.7
133.06485	4.3
133.10133	9.9
135.04417	1.6
135.08049	2.9
137.05968	2.2
141.06989	1.6
142.07790	3.1
143.08601	8.6
145.06496	6.1
145.10138	6.5
147.08064	5.9
147.11719	1.5
149.09610	3.0
153.06914	1.5
155.08539	5.3
156.09369	6.2
157.10132	15.2
159.08099	3.9
159.11728	4.6
161.05952	3.0
161.09607	6.3
163.07544	4.5
163.11192	3.2
166.07870	1.6
167.08498	1.6
168.09366	1.6
169.06490	1.4
169.10117	8.9
170.10931	7.3
171.08096	6.9
171.11711	20.8
172.08789	2.3
172.12297	1.8
173.05978	1.6
173.09653	6.8
173.13318	2.1
175.07552	5.0
175.11166	1.6
176.08371	1.9
177.09099	3.5
179.08536	3.0
181.10089	4.1
183.08090	3.2
183.11699	21.1
184.08798	3.0
184.12190	2.2
185.09689	6.3
185.13313	11.6
186.10402	3.6
187.11176	4.7
188.08406	2.7
189.09026	1.7
191.10768	1.5
193.10155	3.0
195.11726	4.1
196.12451	1.5
197.09669	4.5
197.13266	5.9
198.10509	3.6
199.07542	2.6
199.11166	7.6
200.12036	2.7
201.09125	2.4
201.12790	4.4
203.10635	2.1
205.12273	2.0
206.10899	2.1
207.11729	4.0
209.09625	2.2
209.13258	3.0
211.11224	5.8
213.09117	3.4
213.12750	25.7
215.10640	3.3
217.10254	1.8
217.12265	2.2
219.11662	1.8
221.13251	5.0
223.11157	2.5
225.09195	1.5
225.12740	2.3
227.10695	1.7
229.12175	2.3
231.09924	2.3
231.11913	2.1
231.13779	2.1
232.12518	1.5
233.13284	3.3
235.11183	2.9
237.12735	1.9
239.14485	1.5
240.11629	1.7
241.10135	1.6
241.12242	2.8
243.11752	2.5
243.13872	2.8
245.13324	2.4
245.15463	3.1
246.13899	1.8
249.12686	1.8
254.22717	1.4
255.11674	1.7
255.13968	1.7
256.12350	1.5
257.13373	3.0
259.15125	1.6
261.12689	2.3
263.16504	1.8
269.13287	2.5
270.13937	3.5
271.14575	2.6
273.14813	13.8
274.11847	1.8
277.12262	2.0
277.15674	1.4
281.15366	1.7
284.12268	1.7
284.15344	1.7
285.12827	2.0
285.16183	3.8
287.14474	2.3
297.12784	1.5
299.14078	1.5
300.14911	1.3
301.12271	1.5
301.15817	2.4
303.13712	2.2
313.15707	2.0
315.14001	2.3
315.17435	3.1
317.15125	1.4
317.18741	1.6
327.13745	2.7
329.15439	2.1
329.18958	1.5
330.16183	3.1
331.16907	3.3
333.18484	1.8
341.15414	2.2
342.15881	2.8
343.16818	3.7
345.18628	3.1
355.16769	3.2
356.17532	2.9
357.18567	1.6
359.16235	3.1
360.17023	2.7
361.17920	4.7
372.16922	1.8
373.17917	2.2
374.18625	4.7
375.19522	2.6
377.17355	2.4
384.17178	2.3
391.18878	1.9
401.17496	3.8
402.18106	4.7
403.19165	2.5
404.19577	3.1
405.20673	2.6
406.21210	2.8
416.19839	6.1
419.18527	5.3
420.19058	3.3
421.19696	1.7
422.20816	1.4
433.20007	2.7
434.20844	11.3
435.21564	4.8
451.21127	3.6
452.21732	4.9
467.24243	2.2
535.26782	3.0
567.29254	2.6
600.38574	1.3
668.29468	1.8
683.31604	4.1
700.31940	2.8
715.34479	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	766.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	54.5
55.43777	1.3
57.58351	1.3
59.97805	1.2
65.03957	1.6
67.05509	2.3
68.05048	3.1
68.48070	1.3
69.03422	9.5
69.07054	1.3
69.87289	1.9
69.87707	5.0
70.06594	29.3
72.08156	1.7
73.82880	1.5
79.05492	5.9
81.07059	5.4
82.02952	13.6
83.01352	2.2
83.04986	65.0
85.02911	1.3
86.06069	20.0
87.04469	11.0
91.05476	13.5
93.07046	8.7
94.06570	2.1
95.04987	2.2
95.08633	3.5
96.08123	1.9
97.06564	1.9
97.15155	1.3
98.06061	100.0
98.20746	2.3
103.05482	5.5
105.03384	2.5
105.07039	10.3
107.08583	4.2
108.08149	1.6
109.06583	1.6
112.07632	3.0
115.05473	6.7
116.06320	2.3
116.07115	6.1
117.07021	29.0
119.08586	15.5
120.08854	1.3
121.06548	1.8
121.10146	3.7
122.06026	11.8
124.07598	11.2
128.06233	4.1
129.07014	6.7
130.07811	1.7
131.04907	6.9
131.08556	16.8
133.06506	2.8
133.10118	15.5
134.05948	1.5
135.08057	1.8
140.07068	1.4
141.07011	3.5
142.07793	5.0
143.04938	7.6
143.08577	9.4
145.06502	12.4
145.10091	9.1
147.08025	10.7
148.07550	1.4
149.09604	1.7
150.05516	20.8
152.07115	2.7
153.06982	3.0
154.07747	2.8
155.08589	7.7
156.09320	9.7
157.06514	4.5
157.10139	14.7
159.08067	12.3
159.11699	4.5
161.09625	8.6
165.07021	2.8
166.07797	3.2
167.08525	7.5
168.06554	15.0
168.09369	2.2
169.06654	1.6
169.10133	9.6
170.10892	6.1
171.08076	5.9
171.11714	24.4
172.08890	2.0
173.09663	9.3
173.13339	3.0
175.11201	2.3
179.08629	2.5
180.09274	1.7
181.10130	5.9
183.08116	4.9
183.11697	13.9
184.08788	3.5
185.06038	1.4
185.09633	6.0
185.13278	16.3
186.10530	1.8
187.07547	1.4
187.11220	3.1
187.14799	2.8
189.09013	1.6
189.12833	1.6
191.10631	1.5
193.10194	3.5
195.08073	3.6
195.11723	7.1
196.08885	1.7
197.09628	10.5
197.13239	4.1
198.10379	4.7
199.07407	1.5
199.11189	23.6
200.10516	8.5
201.09149	2.2
201.12761	1.9
202.12238	12.7
203.08701	2.0
205.10219	2.6
206.10931	3.2
207.11749	3.4
209.09651	6.0
209.13261	3.6
211.07541	1.6
211.11232	5.9
213.12740	31.1
214.12271	3.5
216.09277	1.9
217.10220	3.1
218.10892	2.8
219.11661	4.5
221.09729	3.5
221.13339	3.3
223.07527	1.7
223.11162	4.5
225.09146	3.4
225.12680	2.7
228.10158	11.8
229.10168	3.0
230.11798	20.8
231.11731	3.6
231.13850	6.2
232.12589	2.6
233.09648	3.0
233.13240	5.4
234.14096	2.4
235.11227	3.2
235.14745	1.7
237.09128	2.7
237.12740	2.5
239.10793	2.7
241.12329	3.5
242.11551	3.7
243.11684	4.8
244.12740	6.0
245.09665	2.7
245.13301	9.0
246.10800	3.8
246.13983	3.4
247.11176	5.8
247.14745	5.2
248.12906	20.4
249.12790	3.5
249.16486	2.5
250.09903	1.7
253.10117	1.6
255.11783	3.4
256.09683	7.0
256.12418	2.4
257.09467	1.6
257.13293	5.0
258.10986	5.6
258.14114	5.4
259.10986	3.4
259.14929	6.4
260.12256	3.9
260.15570	4.1
261.12750	6.4
261.16397	4.7
262.13876	6.1
263.14368	4.1
265.12320	3.1
267.11749	1.7
268.12869	2.9
269.13336	4.4
270.11249	2.1
270.14020	3.0
271.11215	2.7
271.14841	5.5
272.11990	3.8
272.15485	2.2
273.12756	4.4
273.16284	5.3
274.10773	10.1
274.13385	1.9
275.11072	1.4
275.14285	4.6
275.17993	5.2
276.12262	2.5
276.15179	1.7
277.12213	2.0
277.15924	2.7
279.13895	1.7
280.13550	2.2
281.13211	4.2
282.14316	3.7
283.11249	1.7
283.14774	4.7
284.12024	1.3
284.15500	2.9
285.12744	4.2
285.16348	5.2
286.13791	4.6
287.14307	12.2
287.17734	2.8
289.15918	5.4
290.16751	2.3
291.17444	3.4
292.18158	2.2
296.15698	3.8
297.12726	3.8
297.16360	3.7
298.13937	4.3
298.17300	2.1
299.14276	6.5
299.17902	4.1
301.12604	2.1
301.15860	11.1
301.19324	2.1
302.16650	6.6
303.13907	2.1
303.17310	1.8
305.15286	2.6
309.12729	5.3
311.14343	3.5
311.17999	5.9
313.15900	4.6
313.19424	2.9
314.16797	1.9
315.14133	1.6
315.17535	4.2
319.16916	3.4
321.16278	2.5
322.14261	1.9
324.15039	2.4
325.15720	2.3
327.13864	2.0
327.17484	5.3
329.18857	8.9
337.16031	1.5
339.17508	12.8
341.18933	3.4
342.15979	2.3
355.16953	2.0
357.18530	12.7
359.19928	2.1
367.16806	4.8
375.19455	4.3
384.19611	1.8
385.17862	6.4
392.18152	1.4
403.18985	3.7
412.23026	3.1
414.24619	1.4
424.22705	5.2
426.24518	2.2
428.22235	5.1
430.20059	4.8
440.22217	2.9
442.23941	16.5
444.25394	7.8
446.23441	2.5
452.21988	7.4
458.23407	10.7
460.24942	10.4
470.23303	39.9
473.21353	1.5
476.24069	1.7
478.25845	2.4
488.24326	56.0
489.24692	3.0
502.25977	2.4
506.25415	32.9
520.26617	4.6
524.26630	4.6
530.25403	5.0
538.27448	1.8
540.28271	1.7
548.26465	57.5
549.26471	2.2
566.27563	27.8
570.28455	3.6
584.28564	3.0
588.29224	6.9
606.30603	2.1
620.32098	4.7
630.30310	4.9
648.31665	62.5
649.31927	2.9
666.32709	39.2
730.36090	6.1
748.24158	2.1
748.36896	32.6
766.37482	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	766.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.5
55.05518	90.8
59.47912	1.8
67.05522	4.0
68.05062	2.6
69.03447	11.8
69.07076	3.2
70.06601	21.2
79.05511	6.9
81.07063	6.8
83.04990	100.0
86.06082	21.2
87.04492	6.1
90.76602	2.2
91.05492	18.3
93.07067	9.8
95.05003	4.3
95.08628	6.8
96.08139	2.8
98.06071	61.0
98.20785	5.7
100.05522	1.8
103.05486	9.2
105.03376	2.4
105.07037	16.0
107.04974	3.8
107.08604	6.2
109.06532	2.1
109.10206	2.6
115.05489	9.6
117.07033	24.4
119.04969	3.0
119.08591	24.1
121.06555	5.9
121.10155	4.7
122.06116	3.0
124.07603	12.1
128.06259	5.9
129.07048	6.9
131.04959	9.5
131.08571	15.9
132.08153	2.5
133.06541	5.4
133.10136	16.0
135.08098	5.3
141.07011	3.5
142.07825	7.0
143.05011	2.7
143.08557	17.5
145.06490	17.8
145.10106	13.3
147.08020	10.2
149.09662	3.6
150.05481	3.9
152.07108	4.8
153.07039	2.7
155.08527	9.7
156.09349	10.2
157.06526	3.5
157.10135	22.8
158.07407	3.3
158.09689	2.6
159.08089	10.7
159.11761	8.8
161.05966	2.2
161.09583	13.7
162.09216	5.6
163.07590	2.4
167.08652	2.7
168.06636	4.9
168.09451	3.2
169.10165	11.2
170.10950	7.7
171.04460	2.3
171.08101	11.8
171.11719	38.4
172.08817	3.0
173.06036	2.2
173.09607	14.6
173.13269	2.5
175.11215	3.0
177.09187	2.7
179.08623	2.4
181.10213	6.0
183.08177	6.7
183.11694	33.4
184.09007	3.0
184.11203	2.5
185.09683	10.8
185.13254	23.9
186.12846	2.4
187.11261	4.3
189.09157	2.9
191.10780	2.8
193.10251	4.3
195.08073	3.3
195.11763	7.5
197.09657	10.1
197.13225	9.9
198.10420	5.1
199.11227	13.4
200.10556	4.6
200.12152	5.4
201.09166	4.5
202.12254	26.0
203.07053	3.2
203.10638	3.1
206.10953	3.3
207.11780	6.8
209.09691	3.7
209.13214	2.7
211.11288	8.3
213.09239	3.1
213.12727	27.0
214.12260	4.9
215.10809	3.5
217.08565	3.7
219.11885	3.2
220.12538	2.5
221.09818	2.9
221.13358	6.3
223.11290	7.9
223.14844	4.1
225.12866	2.3
227.10750	3.7
228.10320	6.8
228.13896	2.4
229.12332	4.7
230.11810	25.8
231.11862	4.2
231.13936	9.4
232.12495	2.7
233.13361	6.8
235.11293	3.5
235.14929	4.4
237.12857	4.1
239.10655	2.2
241.12402	8.0
242.11870	4.9
244.12793	4.2
245.13388	7.6
246.11305	10.0
247.11481	4.1
247.14888	3.3
248.12845	19.7
249.12863	3.2
249.16533	4.4
251.14259	2.3
255.13924	2.8
256.12314	2.7
257.13382	6.1
258.11496	4.1
258.14310	4.2
259.13080	16.9
260.12650	3.2
260.15610	2.0
261.12766	3.3
262.14563	3.6
263.18085	2.9
265.16107	2.5
268.13281	2.1
269.13211	3.0
270.14386	3.2
271.14792	3.5
272.12134	2.3
272.15955	2.4
273.12592	3.0
273.16647	4.3
276.12329	2.7
281.13385	4.3
282.14337	6.0
283.14957	4.9
284.11981	2.3
285.16562	2.4
286.14136	3.3
287.14478	4.5
287.17950	4.8
289.16339	2.1
291.17401	4.8
296.15811	2.8
297.12680	3.3
297.16394	3.9
298.13791	4.0
299.14352	6.3
299.17694	2.5
300.15369	4.4
301.15924	5.9
301.19284	3.0
303.17487	3.5
309.12704	2.7
309.18393	3.8
310.13840	2.7
311.14520	4.3
311.17896	4.2
313.15802	5.6
315.13992	2.6
315.17676	7.2
324.15427	4.0
325.15982	4.7
327.14020	3.6
327.17593	4.1
329.19196	6.5
339.17563	8.9
346.16647	3.0
355.18219	1.9
357.18503	12.1
359.19958	3.4
367.17160	4.5
373.18201	2.6
375.19864	5.5
385.18225	10.7
387.38913	2.2
403.19217	6.0
416.26669	2.3
424.22583	5.0
428.22311	7.8
442.23712	14.6
444.25424	5.0
446.23358	3.0
452.22296	3.5
458.23376	4.1
460.24994	10.4
462.26752	2.4
463.21286	3.1
470.23331	19.6
476.24557	2.8
478.26236	4.5
488.24313	30.4
502.25665	4.5
506.25378	29.3
520.27576	9.7
524.26331	5.0
530.25208	3.8
538.28149	3.8
548.26526	18.5
566.27551	45.3
566.35754	3.7
584.28784	5.0
606.30719	7.7
634.30707	4.3
638.32806	3.4
648.31854	13.7
666.32837	42.3
684.34100	7.0
734.34961	2.5
748.36774	10.6
766.38037	83.7
767.38226	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	766.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
55.05502	1.5
58.63562	0.4
63.98345	0.5
67.05508	1.4
69.03421	0.7
71.55808	0.8
77.03922	0.9
78.69364	0.5
79.05482	2.0
79.49563	0.4
81.03413	1.4
81.07042	1.3
83.05001	2.4
85.02927	0.6
91.05488	3.0
93.07052	1.2
95.04974	4.6
95.08635	1.0
97.02914	0.5
103.05472	57.5
104.05792	1.1
105.03377	0.7
105.04551	0.9
105.07047	5.7
107.04958	1.1
107.08588	0.6
114.30977	0.5
115.05501	1.4
117.07035	1.1
119.08590	1.4
121.02855	0.5
121.06516	0.8
123.04487	0.6
123.08045	0.9
128.06212	1.1
129.07019	1.3
129.57768	0.5
131.04933	100.0
131.08566	2.0
132.05246	2.5
133.06508	4.2
133.10088	0.5
135.04410	0.6
135.08061	1.2
137.05969	1.1
141.06978	1.2
142.07777	1.1
143.08612	2.8
145.06491	1.7
145.10172	1.5
147.07979	0.8
149.06009	0.8
149.09676	0.8
151.07573	0.7
154.07808	0.8
155.08551	1.5
156.09366	2.4
157.10127	3.1
158.10558	0.5
159.08069	2.7
159.11732	0.7
161.05991	9.7
163.07567	1.7
165.06987	0.7
166.07732	0.6
167.08582	1.3
169.06476	1.5
169.10124	2.5
171.08073	2.2
171.11684	2.7
173.05957	1.1
173.09581	0.6
177.05424	0.6
177.09172	0.5
179.07068	0.7
179.08543	0.8
181.10181	1.4
183.08072	1.4
183.11705	1.3
184.08867	1.5
185.09630	1.6
187.07538	1.3
187.11195	0.6
189.09177	0.8
195.08102	0.8
195.11723	0.6
197.09651	2.4
198.10400	0.6
199.07561	0.7
199.11177	9.5
201.09081	0.7
205.08566	1.1
206.10980	0.7
207.11752	0.9
209.09711	1.2
211.07626	0.9
211.11198	0.6
213.09061	2.4
215.06944	0.7
215.10767	1.6
217.08469	0.9
217.10310	1.1
220.12302	0.5
223.07544	1.0
223.11214	0.9
225.09100	6.1
227.06981	0.8
227.10709	0.8
230.07126	0.5
232.12132	0.6
237.09088	0.7
239.10707	1.0
241.08607	2.5
243.10226	1.7
245.13303	0.6
247.09622	0.7
253.08626	0.7
255.10130	1.2
257.08102	3.7
257.11688	1.6
259.09756	1.7
261.09109	0.7
261.12634	0.6
267.10092	0.8
271.09991	0.6
277.15680	0.5
277.82657	0.5
285.08353	0.6
285.10980	2.3
301.10873	1.8
303.12427	1.7
329.15222	0.7
331.16907	0.7
343.13196	0.6
347.16507	0.6
349.17645	0.6
357.14853	0.9
359.16544	0.9
375.15457	0.7
377.17416	1.0
385.14233	0.7
387.14478	1.7
395.18579	0.8
403.14087	4.2
405.15860	1.2
421.16248	0.7
423.16296	0.7
429.15631	0.7
431.14890	0.7
433.16333	0.9
442.88257	0.7
445.16769	0.6
449.15875	0.7
451.17355	0.7
463.17386	3.5
469.18088	1.0
481.18457	3.2
535.19598	2.1
547.20221	0.6
553.20447	1.0
565.20795	2.5
583.21698	7.3
601.23157	2.3
713.26111	1.6
731.27118	2.7
749.28162	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54444	0.3
55.01879	2.0
55.05519	2.3
57.03433	0.6
65.03960	0.4
65.15611	0.4
67.05494	1.6
69.03424	1.0
70.06586	0.7
70.86365	1.0
77.03926	0.9
79.05503	2.9
81.03400	1.9
81.03819	0.4
81.07048	0.9
83.04971	3.0
87.85645	0.4
91.05478	3.9
93.07032	1.4
95.01305	0.7
95.04967	7.4
95.08619	1.1
97.02898	0.7
98.06055	1.5
103.05473	47.9
105.04508	1.0
105.07030	8.9
107.04944	1.6
107.08598	0.7
109.06509	1.4
110.46778	0.4
111.04444	0.6
115.05468	3.3
117.07018	2.7
119.04926	0.9
119.08591	2.1
121.02869	0.7
121.06509	1.8
121.10056	0.5
123.04445	1.0
123.08041	0.5
125.05994	1.2
128.06200	2.0
129.07007	3.0
130.07779	0.5
131.04933	100.0
131.08569	4.1
132.05295	1.4
133.06496	8.5
133.10130	1.4
135.04379	1.0
135.08070	1.8
137.05975	1.8
139.03925	0.9
140.07072	2.9
141.06995	2.4
142.07784	1.9
143.08572	4.7
145.06493	3.8
145.10132	1.7
147.04387	0.7
147.08080	1.4
149.05963	1.7
149.09624	0.6
151.07614	1.0
153.05576	0.6
153.06950	1.1
154.07759	0.8
155.08577	3.2
156.09352	3.7
157.06491	1.3
157.10126	3.6
158.07295	1.2
159.08043	3.8
159.11702	1.1
161.05991	16.0
161.09639	1.7
163.07555	3.5
165.05638	0.8
165.07053	1.6
166.07770	0.9
167.08568	1.4
168.06671	2.8
168.09395	0.5
169.06432	2.2
169.10144	4.2
170.07256	0.8
170.10889	0.8
171.08095	3.8
171.11699	4.0
171.76453	0.5
172.08852	0.7
173.05992	1.4
173.09613	1.6
175.07574	1.5
177.05611	0.4
177.09135	1.0
178.07784	0.7
179.07031	2.3
179.08583	1.7
180.09299	0.7
181.06462	0.6
181.10112	1.6
182.07303	0.7
182.11058	0.5
183.08093	4.1
183.11685	1.5
184.08904	2.6
185.06047	0.9
185.09621	3.4
185.13264	0.7
186.10387	0.5
187.07556	2.7
187.11205	1.5
189.05435	1.1
189.09116	1.3
191.07008	0.9
192.09390	0.7
193.10149	1.0
194.10881	0.7
195.08069	2.3
195.11761	0.9
196.08835	1.0
197.05978	1.0
197.09637	6.2
198.10371	1.6
199.07578	2.4
199.11191	15.3
201.09111	1.9
201.12881	0.7
202.12224	0.6
203.07060	1.2
205.08537	2.0
205.10315	0.6
206.10793	0.5
207.08101	1.1
207.11739	1.3
209.09639	2.8
211.07607	2.2
211.11182	1.6
213.09134	4.3
213.12723	1.4
214.10034	0.7
215.06995	1.4
215.08957	0.5
215.10622	2.1
217.08522	2.1
218.10925	0.5
219.10117	0.6
221.09671	1.0
221.13101	0.6
222.10538	0.6
223.07567	1.7
223.11208	1.5
224.08212	0.6
225.05714	0.7
225.09099	14.1
225.12637	0.9
227.07059	1.2
227.10733	1.7
229.08450	0.9
229.10416	0.5
229.12271	0.9
230.11098	0.5
231.10007	0.7
231.11964	0.6
233.08125	1.8
234.10408	0.6
235.07475	1.2
235.11272	1.4
237.09085	0.9
237.12767	1.0
239.10623	1.4
241.08543	5.1
243.10034	2.6
245.08141	1.2
245.13524	0.7
247.09422	2.2
248.12772	0.9
249.09135	0.7
249.12787	0.7
251.06937	0.7
251.10744	0.8
253.08473	1.0
255.10226	1.6
256.08841	0.6
256.12451	0.5
257.08047	6.3
257.11716	1.9
258.10574	0.5
259.09488	4.1
260.12134	0.6
261.12833	0.9
263.10715	0.9
263.14417	0.5
267.10217	2.0
271.09601	1.3
273.11194	0.5
277.16006	0.5
279.10156	0.8
283.09695	0.8
285.11075	5.5
286.13754	0.6
287.14258	0.6
289.12347	1.1
291.10208	0.5
291.13602	0.5
299.14340	1.0
300.14899	0.4
301.10754	2.4
303.12222	2.3
305.12057	0.5
313.12137	0.7
313.16098	0.6
314.13126	0.5
315.13507	0.5
317.15555	1.0
319.11963	1.3
319.16916	0.6
325.11710	0.6
327.13217	0.6
329.15323	1.2
331.13217	0.6
331.16818	0.9
339.13724	0.7
341.14822	0.7
343.13419	1.2
347.16620	0.6
357.14670	1.2
359.16333	0.7
365.48654	0.4
373.14392	1.0
375.15820	0.8
377.17496	1.4
385.14325	1.6
387.14355	3.2
391.15259	0.5
393.16956	0.7
395.18564	0.7
401.13773	1.4
403.14175	7.1
405.16055	1.4
412.91339	0.5
413.13562	0.6
419.14822	1.4
421.16132	1.4
422.15610	0.5
423.16788	0.7
431.14774	1.2
433.16467	1.8
435.17972	1.0
439.17224	0.5
445.16507	2.7
449.16119	1.5
451.17636	2.0
463.17520	7.0
469.18472	1.6
481.18469	6.2
488.24323	0.8
499.19434	1.2
505.18588	0.7
506.25342	0.8
511.33008	0.5
523.19427	0.9
533.17865	0.8
535.19824	4.0
537.21552	0.8
547.19495	1.1
551.19330	1.0
553.21021	2.3
565.20703	5.9
565.28748	0.7
566.27936	0.6
583.21844	12.7
584.21741	0.5
593.21893	0.6
598.75592	0.5
601.22974	2.1
629.22833	0.6
666.32422	1.5
695.24567	1.0
713.26056	5.2
731.27026	5.3
748.36603	0.6
749.28284	1.5
766.37122	1.5
775.69794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05511	1.9
57.03439	2.2
61.02932	6.2
65.03954	0.7
67.05508	5.8
69.03442	4.2
69.07082	1.9
70.06587	0.9
71.05003	0.8
71.55389	0.6
73.02930	3.7
79.05493	6.2
81.03413	3.0
81.07069	6.2
83.04976	1.1
83.08669	0.7
86.09729	0.7
86.55524	0.4
87.04490	0.7
91.03957	3.8
91.05479	3.8
93.07056	6.9
95.04996	1.7
95.08620	4.4
97.02893	4.7
97.06535	0.9
98.03545	0.4
99.04456	0.7
101.02393	1.7
102.98327	0.4
103.05467	11.4
105.07043	3.5
107.08610	3.3
108.87349	0.4
109.02881	1.0
109.06538	1.2
109.10187	1.6
115.03954	0.6
115.05514	0.8
116.07121	1.5
117.07044	1.4
119.08577	2.6
121.06493	0.8
121.10149	3.7
123.11724	0.4
125.09685	0.6
127.03961	1.9
129.05489	0.5
129.07039	1.0
131.04938	19.3
131.08575	2.9
133.10158	4.2
135.08055	1.1
135.11719	1.2
139.11230	0.9
142.07797	0.5
143.08615	1.3
145.10155	1.9
147.08099	0.9
147.11729	1.4
149.09653	2.0
149.13280	0.6
155.08649	0.7
156.09380	0.7
157.10138	2.5
159.08003	0.6
159.11749	1.5
161.06090	0.5
161.09578	0.6
163.11171	0.7
169.10159	1.3
170.10924	0.7
171.11719	2.4
173.09703	1.0
173.13248	0.6
177.05363	0.4
179.08551	0.5
181.10089	0.5
183.11652	2.3
183.52502	0.5
184.07401	1.6
185.04242	0.8
185.09676	0.9
185.13361	1.3
193.12320	0.8
195.11830	0.5
197.09770	0.6
197.13306	0.8
199.11255	1.1
203.05276	0.5
205.10278	0.5
206.11140	0.5
207.11763	0.7
211.11179	0.7
213.12788	1.5
219.11823	0.6
221.13309	0.8
225.11044	1.2
229.10040	0.5
233.13306	0.7
234.14224	0.5
235.14864	0.5
241.12312	0.7
243.08443	2.5
247.14954	0.8
251.12538	0.6
257.13300	0.6
259.15094	0.8
261.12839	0.7
261.16541	0.6
269.13626	2.9
272.12100	0.5
273.14868	0.7
299.14618	0.6
303.17413	0.7
315.17453	1.0
329.19012	0.5
331.16959	0.6
335.26019	1.6
347.16602	0.7
349.18387	0.5
359.16492	1.0
361.18185	0.6
373.18204	1.0
375.19797	0.6
377.17487	1.0
389.21320	0.6
391.19101	1.2
405.20480	0.7
409.20148	0.5
419.18665	0.7
433.20212	1.6
437.65106	0.5
443.19080	4.3
451.21042	2.7
469.21625	1.9
484.62390	0.5
487.21387	3.5
505.38971	0.6
519.29407	9.9
703.39880	0.6
721.41528	1.8
747.42621	1.7
765.43988	100.0
766.44647	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	765.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.2
55.05510	19.5
55.74947	3.7
57.03441	6.5
57.07063	4.3
65.03928	5.6
67.05499	23.2
69.03083	5.1
69.03436	80.7
69.07069	10.3
69.37296	27.2
71.04987	10.7
79.05489	21.5
81.03419	18.9
81.07053	33.1
83.04974	16.7
83.08597	6.0
85.02916	38.0
85.06551	5.9
87.04475	16.7
91.05480	34.1
93.07044	30.5
95.04956	12.4
95.08615	33.1
97.02884	15.8
97.06502	7.5
98.20798	8.1
99.04465	33.7
103.05484	5.7
105.07028	48.9
107.04938	10.5
107.08611	42.3
109.02891	9.7
109.06529	6.7
109.10171	13.6
111.04456	7.7
111.08076	8.1
113.06022	8.6
115.07569	4.6
117.07017	12.5
119.08578	72.8
121.06524	7.6
121.10152	21.0
123.08097	5.5
123.11714	5.5
127.03927	40.3
128.06218	12.6
129.05470	6.5
129.07021	26.9
130.07785	5.2
131.08577	36.5
133.06482	8.3
133.10159	40.7
135.04480	5.6
135.08043	9.8
135.11665	9.5
137.06039	4.4
137.09663	3.9
139.04024	3.9
141.05437	6.3
141.07005	8.7
142.07765	21.8
143.08565	49.5
144.09378	3.8
145.04930	6.4
145.06493	7.2
145.10120	44.2
147.08060	12.1
147.11694	21.2
149.09618	7.2
151.07576	4.1
153.05473	5.9
153.07028	7.9
154.07808	5.5
155.08568	31.7
156.09341	17.1
157.06546	4.3
157.10135	86.5
158.10930	4.5
159.08058	9.7
159.10431	5.3
159.11690	47.6
161.09625	13.3
161.13272	13.6
165.07004	10.9
165.09161	9.5
166.07712	6.1
167.08545	12.6
168.09331	12.2
169.10123	45.5
170.10864	10.0
171.08000	5.7
171.11703	52.7
173.09592	11.0
173.13309	23.8
175.11263	9.7
177.09102	3.8
179.08505	17.9
180.09364	8.3
181.10118	37.1
182.10928	11.0
183.08073	6.6
183.11681	65.8
184.12444	6.1
185.09669	5.2
185.13258	36.6
187.11136	6.1
187.14841	8.7
189.09135	7.4
189.12749	4.9
191.08566	4.4
192.09357	5.9
193.10120	26.0
194.10898	16.7
195.08008	6.3
195.11705	55.2
196.12418	10.6
197.09671	5.1
197.13290	39.2
199.11174	11.1
199.14853	18.4
201.12714	5.1
205.10121	7.2
205.12115	4.0
206.10893	10.5
207.10188	5.9
207.11766	36.8
208.12431	9.5
209.09595	6.7
209.13310	52.9
210.14023	7.5
211.11334	7.3
211.14862	31.0
213.12715	12.5
213.16522	5.1
215.10716	7.0
217.07098	5.9
217.10173	5.2
218.10854	5.6
219.11768	16.9
220.12457	10.7
221.13332	35.1
222.13979	11.2
223.11250	6.8
223.14806	49.5
224.15575	7.2
225.12859	6.7
225.16339	21.7
227.14307	7.6
227.18010	4.8
230.10811	5.4
231.11674	6.6
233.13515	17.2
234.14023	7.3
235.11263	7.3
235.14830	27.9
236.15559	4.1
237.12776	7.3
237.16415	30.6
238.17122	11.1
239.14360	9.1
239.17937	36.1
240.18652	4.6
241.12140	5.9
244.12573	4.5
245.13330	8.0
246.14058	3.9
247.14920	23.0
248.15717	4.0
249.12718	4.2
249.16541	24.0
250.17029	4.9
251.14421	5.8
251.17950	11.3
253.16026	5.8
253.19493	5.9
255.13956	3.9
255.21123	5.9
259.15021	7.1
261.16617	18.1
262.17172	4.5
263.14313	11.7
263.18024	29.3
264.18600	5.3
265.15933	13.7
265.19504	40.6
267.13873	4.7
273.16650	5.4
275.14316	5.3
275.17963	5.8
277.15939	6.4
277.19437	7.6
279.18134	3.8
279.20975	23.3
281.18686	3.7
283.20602	8.0
287.17953	7.9
289.16449	4.4
289.19504	14.7
291.17453	5.9
291.20801	3.8
303.20932	3.6
305.19034	27.6
307.17020	6.4
307.20486	53.4
313.18634	3.9
315.20877	4.4
323.16641	4.4
323.20105	15.1
325.17975	7.3
325.21548	38.4
331.20538	6.0
333.18582	4.2
333.22226	5.0
337.17841	9.8
341.21024	8.8
345.22049	7.0
347.23721	4.5
349.21664	5.8
351.19580	6.1
353.21078	33.1
357.22144	11.6
363.23080	3.8
367.22699	7.9
371.22232	50.3
375.18805	5.5
375.23111	30.6
377.20877	4.8
379.22791	27.8
381.24338	6.1
391.22467	6.3
393.24222	34.5
397.23962	20.9
403.22528	14.3
409.23737	13.1
409.32455	4.2
411.20703	5.9
411.26038	20.3
421.23795	75.4
422.23920	4.5
429.22736	8.6
439.24844	65.0
457.25800	12.7
469.25912	100.0
483.12698	4.0
529.27582	7.9
543.26154	5.5
565.27954	4.4
571.28918	9.6
573.26685	21.0
583.29010	44.1
584.29413	4.4
601.30200	34.1
602.29797	5.2
705.31018	17.6
765.33673	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	765.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	10.7
55.05515	17.4
57.03424	9.3
61.02915	3.3
65.03937	3.0
67.05501	21.5
67.57959	2.5
69.03085	5.7
69.03434	79.2
69.03806	5.1
69.07074	16.3
69.31974	25.5
70.06584	5.6
71.04969	7.0
73.83391	2.6
79.05511	23.6
81.03410	14.8
81.07063	28.3
81.57652	3.2
83.04967	11.1
83.08636	7.6
85.02905	24.3
85.06541	5.6
87.04475	16.9
91.05479	32.4
93.07041	26.9
95.04990	16.9
95.08620	31.7
95.99417	3.2
97.02879	12.7
97.06519	10.5
97.10191	4.1
99.04462	33.5
100.07606	6.3
101.06020	6.2
103.05457	6.0
105.06406	3.2
105.07050	49.3
107.04959	9.1
107.08610	44.9
107.09317	5.2
109.02834	4.4
109.06503	9.8
109.10151	14.3
111.08089	7.9
113.05981	7.8
115.03910	7.4
115.05386	4.1
117.07008	20.3
119.04890	3.3
119.08583	57.8
121.06493	11.3
121.10151	21.4
123.08065	10.0
123.11671	6.8
127.03921	38.5
127.07527	3.8
128.06209	12.9
129.05521	3.3
129.07008	20.5
130.07802	6.9
131.04904	7.0
131.08585	37.0
133.06477	8.3
133.10147	39.4
135.04390	3.8
135.08064	10.5
135.11684	12.0
141.07013	14.0
142.07767	19.3
143.08578	50.8
144.09222	3.6
145.04939	5.9
145.06476	6.7
145.10120	48.8
146.08115	15.6
146.55307	2.9
147.08041	12.6
147.11682	27.0
149.05994	3.9
149.09612	9.0
151.07501	4.2
153.05489	6.4
153.06981	12.0
154.07756	6.2
155.08586	28.3
156.09357	15.8
157.10139	80.4
158.10860	5.5
159.08012	7.9
159.11694	42.7
161.09586	13.3
161.13263	14.1
163.07619	3.3
165.06987	13.7
165.09137	5.6
166.07780	3.8
167.08586	18.7
168.09343	13.3
169.10120	49.6
170.10927	6.7
171.06575	5.0
171.08008	6.9
171.11684	50.2
173.09602	12.2
173.13240	31.6
175.11205	8.9
177.09053	6.4
177.12749	4.0
179.08553	21.7
179.10664	5.5
180.09337	8.1
181.08670	5.4
181.10127	45.1
182.10909	11.9
183.08051	3.4
183.11688	64.7
184.12314	5.0
185.09619	6.8
185.13264	33.3
187.06020	3.4
187.11179	9.1
187.14838	6.5
189.09109	5.9
191.08530	4.1
192.09364	7.8
193.10153	24.8
193.11717	3.8
194.10867	13.2
195.08099	4.6
195.09938	3.8
195.11702	54.1
196.12442	11.7
197.09607	6.1
197.13248	47.5
198.14192	4.0
199.11142	10.8
199.14804	22.7
201.12730	8.7
202.16884	3.1
203.08572	5.3
203.10605	3.8
205.10158	9.0
205.36073	3.1
206.10867	7.5
207.10095	4.9
207.11743	38.5
208.12386	12.1
209.09727	6.6
209.13274	66.1
209.15288	3.4
210.14021	8.0
211.11183	9.0
211.14828	34.9
212.15596	4.9
213.12889	13.2
213.16385	7.7
215.10648	7.8
215.14307	4.1
217.10254	6.6
217.12180	6.3
218.10925	3.4
219.11856	15.0
220.12444	12.7
221.13306	36.8
222.13901	15.9
223.11243	8.4
223.14810	59.8
224.15536	8.9
225.12737	8.2
225.16353	24.9
227.14281	10.3
229.12267	3.7
231.11734	7.0
231.13794	4.2
232.12469	8.5
233.13422	19.2
234.14072	8.6
235.11154	7.1
235.14832	32.0
236.15540	6.4
237.12793	6.7
237.16393	34.4
237.66516	3.0
238.17175	7.7
239.14311	6.0
239.17964	31.6
240.18648	5.6
241.15958	3.3
244.12460	3.1
245.13252	11.2
246.14093	6.3
247.14986	24.1
248.15541	10.8
249.12816	7.9
249.16428	28.6
250.17163	3.2
251.14359	3.8
251.17970	8.6
253.19537	4.9
255.13895	6.8
257.15491	4.0
259.14743	11.5
260.15720	4.7
261.12759	6.7
261.16553	15.9
262.17200	4.2
263.14352	9.5
263.17932	25.1
264.18631	7.6
265.12357	2.7
265.15884	14.2
265.19476	36.0
267.17468	4.2
267.21014	3.6
269.15372	3.5
271.13303	9.0
273.16370	8.8
274.17197	4.0
275.17941	8.8
277.15857	3.8
277.19476	8.9
279.13977	2.9
279.17526	7.5
279.21042	22.9
281.15369	4.7
281.18903	5.5
283.16974	5.3
283.20575	8.3
285.16168	3.3
287.17941	6.7
289.19424	14.9
291.17435	5.7
297.14777	6.8
301.15790	3.8
305.19061	32.3
307.17038	3.5
307.20578	63.1
311.16486	5.7
315.13373	8.0
315.20914	5.9
323.16565	6.5
323.20084	11.0
325.18094	7.3
325.21640	62.0
331.20419	10.8
333.22113	7.1
337.17853	9.1
341.21130	6.8
347.23935	5.6
349.21811	4.1
351.19556	8.0
353.21140	24.1
357.22098	11.8
363.23322	7.0
367.22742	6.7
371.22141	40.3
375.23221	35.7
379.19055	5.0
379.22885	30.2
381.24075	7.3
385.21677	3.5
391.22604	6.3
393.24289	39.9
394.24658	3.5
397.23724	18.3
403.22888	14.6
409.23648	11.4
411.20679	5.3
411.25964	19.2
421.23706	69.5
429.22812	13.5
439.24823	55.2
451.24924	4.0
457.25681	12.9
469.25943	100.0
487.26932	3.6
529.28082	7.2
543.26294	4.7
571.29114	7.9
573.26849	17.3
583.28986	30.7
584.30194	3.5
601.30023	35.5
705.30975	9.5
765.34937	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	765.327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24437	0.8
55.01868	1.8
55.05504	1.5
60.48215	0.7
63.02377	0.9
67.05499	2.5
69.03416	1.1
70.17037	0.7
74.09734	0.8
77.10303	0.8
79.05491	2.8
81.03413	1.3
81.07059	2.6
83.04968	1.1
89.03928	3.8
91.05489	7.7
93.07040	4.0
95.04975	3.4
95.08623	2.1
103.05475	49.7
104.05837	0.9
105.03432	1.0
105.04504	1.2
105.07034	10.5
107.04935	1.7
107.08588	2.7
109.06503	1.4
109.10107	0.8
115.05467	2.8
117.03384	10.1
117.07025	6.3
119.04980	1.6
119.08592	10.3
121.06463	1.8
121.10108	2.2
123.08043	1.0
125.02363	1.3
128.06212	2.5
129.07001	3.7
131.04936	100.0
131.08621	6.9
132.05269	2.7
133.06512	3.0
133.10150	13.0
134.03644	0.9
135.08086	2.2
141.06902	1.3
142.07787	3.5
143.08571	5.8
145.01758	1.5
145.02864	25.3
145.06487	3.3
145.10190	4.6
147.08069	5.6
147.11601	1.0
149.06020	4.0
149.09648	3.1
153.06966	1.5
155.08513	3.8
156.09378	6.5
157.06448	0.9
157.10139	12.2
159.08054	4.8
159.11676	5.1
161.06007	5.3
161.09596	4.3
163.07562	1.3
163.11160	1.2
165.07060	1.1
166.07881	1.0
167.08545	2.4
167.12756	0.8
168.09317	1.4
169.10144	7.8
170.10947	4.5
171.08064	2.8
171.11717	16.0
173.06139	1.4
173.09622	3.4
173.13252	3.0
175.07561	5.1
175.11142	1.7
177.05484	52.0
177.08986	1.5
179.07018	1.9
180.09390	1.5
181.10175	2.7
182.10898	1.1
183.08133	1.4
183.11697	17.7
184.12408	1.3
185.09680	4.5
185.13280	12.9
186.05609	1.1
187.07602	1.7
187.11195	2.7
189.05501	1.3
189.09056	1.0
193.08594	2.4
193.10159	3.6
193.11867	0.8
194.11014	1.6
195.08003	1.3
195.11754	4.2
197.09608	2.3
197.13292	3.5
198.10396	0.9
199.07590	1.1
199.11235	5.2
201.12726	1.7
203.08653	1.4
203.10649	1.5
205.12280	1.3
206.10953	1.2
207.11697	4.1
208.12352	0.9
209.09645	1.1
209.13235	2.2
211.07623	1.0
211.11191	3.1
213.09177	3.3
213.12750	10.5
216.09415	1.1
217.10356	1.3
217.12308	2.3
219.11778	2.3
220.12509	1.3
221.13231	3.5
223.11186	2.2
223.14886	1.4
225.09245	1.4
225.12761	2.1
227.10811	1.5
229.10269	1.3
229.12256	2.0
230.10899	1.3
231.09911	1.0
231.11874	1.5
231.13843	3.0
232.12373	1.4
233.13225	3.4
233.15373	1.6
234.14143	1.4
235.14771	1.9
237.12907	1.0
239.10742	1.7
239.14206	0.8
241.08537	1.0
241.12271	3.4
243.11722	1.6
243.13872	3.4
244.12460	2.0
245.13199	2.4
245.15344	5.1
246.13994	1.7
247.11226	1.5
247.14920	1.7
249.12773	1.8
251.10909	1.0
251.14294	1.2
253.12402	1.0
255.13930	1.5
256.12521	1.4
257.13165	2.7
258.14044	2.2
259.14905	2.4
260.15717	1.5
261.12695	1.7
261.16379	0.9
265.12140	1.0
267.11792	1.8
268.12177	1.0
269.13174	2.9
270.14014	3.1
271.14761	3.6
272.15524	1.9
273.12207	1.3
273.14810	9.1
275.10663	0.9
275.14301	1.5
281.12961	1.5
283.11255	1.6
283.14548	2.0
284.15576	2.0
285.16299	3.7
286.13489	1.7
287.14349	2.1
287.17957	1.2
288.14951	1.1
291.16138	1.1
297.16293	1.1
298.13589	1.2
299.14264	1.5
299.17859	1.7
301.12439	1.1
301.15915	2.2
303.13867	1.2
303.17380	1.7
311.14429	1.1
312.14859	1.0
313.15970	2.7
314.16611	1.0
315.13791	1.9
315.17343	1.9
316.14514	1.0
317.15314	1.9
319.13208	0.9
319.16916	1.6
327.13885	0.9
327.17450	3.0
329.15363	3.8
330.15918	1.0
331.13217	1.0
331.16733	4.0
333.18469	1.0
336.77203	1.0
341.15378	4.6
343.16953	2.4
345.14737	1.1
345.18445	3.5
347.16440	4.3
349.18127	2.0
355.16937	5.6
359.16394	8.4
361.17871	1.7
363.19742	2.3
371.16470	3.0
373.18033	9.3
375.19754	1.1
377.17572	5.5
383.16278	2.2
389.17178	2.2
391.19003	6.9
401.17474	9.0
403.19046	2.4
405.20377	2.8
409.20291	1.9
415.19171	4.8
419.18552	8.7
421.20059	4.2
423.21558	4.3
433.14917	1.1
433.20264	13.3
437.19556	3.3
451.21213	12.9
469.22141	3.7
501.04922	0.8
581.24286	0.9
599.26202	1.7
617.27087	1.0
799.03101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79826	0.3
55.01869	1.0
55.05499	0.6
67.05496	0.9
69.03436	0.8
69.57370	2.3
69.77081	0.3
71.04980	0.3
77.03928	1.1
77.27096	0.3
79.05498	1.7
81.03413	0.6
81.07064	0.5
83.04984	0.8
91.05486	1.9
93.07050	1.0
95.04974	3.3
95.08597	0.6
97.02900	0.3
97.06538	0.4
98.20752	0.6
102.04664	0.8
103.05471	47.4
104.05778	0.4
105.03403	0.8
105.04541	0.6
105.07036	4.2
107.04994	0.8
107.08608	0.5
109.02888	0.4
109.06556	0.5
109.10180	0.3
115.05452	1.1
117.07042	1.1
119.05019	0.6
119.08624	1.1
121.06528	1.4
123.08087	0.5
128.06207	1.6
129.07004	1.3
131.04932	100.0
131.08594	1.5
132.05273	1.2
133.06520	3.4
133.10150	0.5
135.08054	1.5
141.07016	1.0
141.11333	0.4
142.07813	0.7
143.08600	1.8
145.06499	1.0
145.10156	0.9
147.04303	0.5
147.08060	1.1
149.05981	1.3
151.07538	0.7
153.06952	0.7
155.08575	1.2
156.09352	1.8
156.87840	0.3
157.10097	1.1
159.08066	1.9
159.11673	0.5
161.05992	7.3
161.09584	0.7
163.07539	1.1
165.06999	0.5
166.07791	0.6
167.08528	0.5
169.06462	0.4
169.10110	2.0
171.08083	1.6
171.11725	1.8
173.05925	0.5
173.09621	0.9
175.07558	0.8
177.05505	0.7
177.09140	0.4
179.07057	0.8
179.08578	0.5
180.09309	0.4
181.10114	0.9
183.08043	0.8
183.11746	1.0
184.08875	1.0
185.05956	0.5
185.09630	1.3
187.07588	0.9
187.11165	0.5
189.05420	0.4
189.09113	0.9
193.07291	0.3
193.10156	0.5
195.07976	0.6
195.11685	0.4
196.08783	0.6
197.09619	2.2
198.10384	0.6
199.07613	0.9
199.11185	3.9
201.09103	1.5
203.06975	0.6
207.11774	0.5
208.08862	0.3
209.09642	2.0
211.11197	1.0
212.08411	0.4
213.09146	0.7
215.10612	0.8
217.08577	1.3
217.12099	0.5
221.13272	0.5
223.11150	0.4
225.09138	1.2
227.07039	0.8
227.10654	2.9
229.08568	1.0
229.12253	0.5
230.10951	0.4
232.12511	0.4
233.09734	0.4
235.09480	0.8
237.09082	0.6
237.12737	0.6
239.10657	0.4
243.09953	0.5
245.07924	0.6
245.11807	0.9
248.11969	0.4
255.10170	1.5
263.14471	0.5
271.09528	0.5
273.11160	2.4
301.15906	0.4
303.13629	0.4
331.16809	0.6
341.15552	0.7
345.14734	0.4
349.18423	0.3
357.15198	0.4
359.16412	1.2
361.14182	0.5
365.13535	0.5
373.13995	0.4
375.15692	0.8
377.17529	0.9
385.14328	0.4
387.15909	1.1
403.15369	1.5
405.16910	1.9
414.10852	0.4
415.15286	0.9
421.16385	1.4
423.18121	0.8
433.16455	3.3
451.17545	3.8
469.18488	0.8
553.21936	0.6
563.20599	0.5
581.21259	1.7
599.22717	1.9
747.26935	0.8
765.40063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
55.05517	0.6
59.69641	0.4
65.56042	0.4
67.05494	1.5
69.03429	0.8
70.06587	1.1
77.03933	0.7
79.05517	2.4
81.03404	1.6
81.07034	0.5
83.01345	1.6
83.04984	0.6
91.05484	3.4
93.07034	1.4
95.01338	0.5
95.04973	5.5
95.08607	0.5
97.02886	0.8
97.66026	0.4
98.20783	0.9
102.04652	0.7
103.05474	48.1
104.05815	0.7
105.04503	0.8
105.07040	6.2
105.68292	0.4
107.04958	1.2
107.08624	0.8
109.06515	1.5
115.05453	2.4
116.06352	0.4
117.07011	1.7
119.04922	0.8
119.08570	1.4
121.02837	0.5
121.06508	1.4
123.04469	0.5
123.08133	0.6
125.05984	0.7
128.06209	1.9
129.07031	2.5
131.04935	100.0
131.08557	2.4
132.05252	1.1
133.06487	6.2
134.40720	0.5
135.08089	1.3
137.05940	1.0
139.03989	0.4
141.07025	1.8
142.07791	1.2
143.08542	3.1
144.08073	0.4
145.06505	2.7
145.10141	1.7
147.04422	0.9
147.08075	0.9
149.05988	1.8
151.07555	0.5
153.07002	0.6
154.07799	1.3
155.08542	1.7
156.09358	2.2
157.06505	1.2
157.10147	1.6
158.07285	1.3
159.08043	3.1
159.11719	0.9
161.05988	11.5
161.09587	0.6
163.07561	1.9
165.05505	0.5
165.06944	0.8
166.07730	0.7
167.08553	1.2
169.06512	1.7
169.10162	2.4
169.11475	0.4
170.07358	0.7
171.08040	2.3
171.11728	1.7
172.08835	1.0
173.06024	0.8
173.09633	1.7
175.07542	0.9
177.05508	0.8
179.07063	1.1
179.08502	1.0
180.09444	0.5
181.10199	1.2
182.07280	0.6
183.08086	1.9
183.11714	0.5
184.08910	2.1
185.06113	0.6
185.09631	2.6
187.07518	2.1
187.11253	0.5
189.09128	0.9
193.10162	0.7
194.10828	0.5
195.08069	0.6
195.11617	0.5
196.08757	0.6
197.06013	0.6
197.09634	3.6
198.06746	0.6
198.10378	0.9
199.07542	2.0
199.11197	8.1
201.09131	1.3
203.07028	0.9
205.10211	0.7
207.08208	0.4
207.11725	0.8
209.09634	0.9
209.13234	0.5
211.07516	1.0
211.11166	0.8
213.09103	2.9
215.06984	0.8
215.08916	0.5
215.10721	1.7
217.08633	1.2
217.10445	0.6
217.12257	0.5
219.11884	0.7
219.13831	0.4
221.09715	0.9
223.07552	0.7
223.11200	0.9
224.08223	0.5
225.05536	0.9
225.09030	5.4
225.10722	0.4
227.07007	0.7
227.10689	1.5
229.08414	0.6
231.06494	0.8
231.10049	0.6
233.09798	0.5
237.09215	0.6
239.10652	0.7
241.08507	2.6
243.06522	0.5
243.10269	1.7
245.08133	1.6
247.09537	1.3
249.07530	11.7
249.12788	0.5
251.10490	0.5
253.08624	0.7
253.12259	0.5
255.10197	0.8
257.08066	9.3
257.11719	1.1
259.09460	3.9
267.10196	0.8
269.08170	0.9
273.11160	0.6
283.09656	0.5
285.11371	1.4
295.09976	0.5
301.10657	3.3
303.12167	2.3
315.14087	0.4
327.13852	0.6
341.11292	0.6
343.13287	0.8
357.14841	0.8
359.16150	0.5
367.13089	0.5
373.14606	0.5
375.15808	0.6
377.17871	0.6
385.13675	1.4
401.12518	2.3
403.14810	2.8
413.13724	0.5
417.16885	0.5
419.14255	0.6
421.16232	0.9
431.14709	0.6
433.16754	0.6
445.16757	1.0
449.15909	0.7
451.17575	0.7
463.17441	2.3
481.18564	2.2
499.19852	0.7
513.17706	0.8
516.78821	0.4
533.18402	0.6
549.17859	1.0
551.19452	1.6
569.20270	0.8
581.20245	1.8
599.21088	0.7
729.25665	1.8
747.26556	5.1
765.27515	26.7
766.27783	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.8
55.05313	2.8
55.05517	29.2
67.05489	3.2
71.04980	4.9
79.05484	5.2
80.36482	2.1
81.03444	2.8
81.07030	4.0
83.04988	41.5
90.09206	2.6
91.05473	9.4
93.07051	4.6
95.04966	8.9
100.58892	2.0
103.05475	59.8
104.05807	12.2
105.07047	14.0
107.05010	3.4
107.08585	4.1
115.05428	3.9
117.07022	10.0
119.08602	5.2
121.06483	5.7
128.06294	3.0
129.07016	5.4
131.04942	100.0
131.08569	6.9
132.05272	22.3
133.06502	8.4
133.10089	4.5
135.08012	4.6
136.57964	2.0
141.07014	4.1
142.07745	6.2
143.08557	7.7
145.06508	10.9
145.10132	4.3
147.08066	8.1
155.08516	4.1
156.09285	5.2
157.06526	2.9
157.10155	12.7
159.08066	4.4
159.11720	2.8
160.08484	2.4
161.05989	19.5
161.09598	6.5
162.06351	4.0
163.07556	6.2
166.07677	2.8
168.09164	2.6
169.10132	8.3
170.10872	3.4
171.08073	5.3
171.11716	16.3
173.06027	3.4
173.09575	4.2
174.10135	2.5
175.07562	4.0
177.09113	7.5
181.10098	3.6
183.11653	11.7
184.08673	4.1
185.09576	5.0
185.13255	11.2
187.07584	3.8
187.11211	5.0
189.09143	4.4
195.11685	3.7
197.09607	8.1
198.10120	2.7
199.11229	14.3
200.11555	2.4
209.09583	2.8
211.11035	4.8
213.09061	6.1
213.12622	10.5
215.10678	4.9
225.09134	7.2
226.09459	4.4
227.10585	4.3
229.12241	3.9
229.52522	2.2
231.13789	3.2
234.13715	2.2
241.08730	3.9
243.13895	4.7
245.15372	5.9
257.07999	10.9
258.08508	6.1
259.09674	5.2
271.13437	2.8
273.11462	2.4
273.14761	2.2
281.13120	2.6
283.14871	3.3
285.11166	2.7
285.16318	2.3
296.15451	2.4
299.14401	3.0
301.10620	3.6
302.11035	3.0
313.15744	4.1
315.17233	4.0
325.15857	3.1
329.18991	2.4
343.17032	3.0
357.18488	6.1
385.18225	3.7
389.20993	6.7
396.19299	2.5
399.19623	3.7
403.19003	4.4
409.07404	2.4
417.20749	12.6
431.22321	2.7
435.21445	8.4
449.23105	4.3
464.17874	9.0
477.22781	2.5
481.18213	2.8
555.25684	2.6
569.27209	6.6
580.22223	3.3
598.23669	2.6
637.29834	4.4
651.31329	9.0
669.32904	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	764.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	4.9
55.05515	52.6
59.76732	2.9
60.85489	2.9
63.01485	3.0
70.71218	9.9
74.21001	3.3
79.05489	10.4
81.03411	5.3
81.07082	4.3
83.04984	100.0
91.05479	12.1
93.07023	4.7
95.04951	5.6
103.05457	4.2
105.07010	17.2
107.08601	6.8
115.05496	6.7
117.07014	15.3
119.08584	13.3
128.06236	4.0
129.06985	8.1
131.04945	6.1
131.08586	11.0
133.06497	8.7
133.10115	13.6
135.08095	6.4
142.07823	6.1
143.08603	8.4
145.06496	23.0
145.10124	15.0
147.08052	8.4
155.08641	5.7
156.09332	11.8
157.10152	15.8
159.08096	13.0
161.05995	13.0
161.09579	10.1
163.07625	8.5
169.10135	16.0
169.11458	3.9
170.10912	7.2
171.08032	5.4
171.11725	34.2
173.05951	11.0
173.09634	10.1
177.09122	6.6
182.10864	4.1
183.11647	30.2
185.09601	5.8
185.13287	29.0
187.11148	8.2
189.05441	4.4
189.09155	5.6
193.10139	4.5
195.11714	13.0
197.09663	7.0
197.13300	5.3
199.11172	10.9
207.11702	5.4
209.09627	3.9
211.11188	9.0
213.12651	21.7
223.11227	4.7
231.13770	4.9
235.11174	4.1
241.12207	5.5
243.13902	5.6
245.11578	5.2
245.15367	22.1
255.11554	4.6
255.13976	5.5
271.14792	4.5
273.14987	12.3
281.13306	5.0
299.14380	4.1
300.15146	5.5
303.17395	6.0
313.15707	4.5
315.17285	5.6
327.17432	5.3
329.19116	6.3
331.17001	10.4
337.47668	3.9
339.17557	3.7
343.16898	14.5
357.18576	18.7
361.18039	8.5
375.19608	4.1
385.17953	11.3
389.21133	6.5
403.18942	15.8
405.20889	7.2
407.22318	6.3
417.20477	36.4
435.21887	33.7
453.22589	6.6
477.22607	8.8
495.23853	13.2
537.24750	8.1
555.25702	11.9
595.28625	4.0
623.28363	4.6
637.30023	30.6
669.32251	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	764.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.1
55.05264	2.8
55.05516	39.4
57.07089	2.2
59.16830	1.4
65.03936	1.4
67.05508	7.0
69.03429	4.3
69.07081	4.9
71.08607	1.5
71.55037	1.4
71.55452	2.2
77.03914	1.5
79.05510	11.3
81.03391	1.9
81.07059	8.7
83.04990	66.1
87.04440	1.9
89.06042	8.6
91.05489	28.8
93.07056	15.0
95.04973	8.9
95.08613	8.2
95.51003	1.4
97.06493	2.0
98.06061	3.8
99.59733	1.3
103.05484	2.2
105.03409	44.0
105.04501	2.7
105.07042	19.9
107.04953	1.8
107.08614	12.9
108.93344	1.4
109.06528	4.4
109.10185	3.5
111.04500	1.8
111.08105	1.8
112.07600	2.3
115.05468	10.2
117.07031	24.0
119.04934	5.0
119.08591	33.1
121.06516	4.7
121.10147	6.0
121.47458	1.5
123.08111	2.3
127.03948	5.0
128.06248	4.8
129.07018	7.3
131.04938	5.1
131.08583	16.1
133.06514	4.2
133.08601	5.6
133.10149	17.3
135.08058	6.3
137.06023	6.3
141.07001	2.8
142.07806	5.0
143.08565	13.7
145.06514	13.1
145.10159	9.5
146.07256	2.0
147.08072	14.9
147.11731	1.9
149.09639	5.0
153.07068	2.1
155.08545	7.1
156.09364	9.1
157.06511	2.7
157.10164	16.1
159.08109	10.2
159.11700	4.9
161.09639	8.3
163.07579	19.1
165.07011	5.8
165.09201	1.7
166.07805	3.8
167.08612	4.6
168.09380	1.7
169.06548	1.8
169.10118	9.8
170.07350	2.2
170.10941	6.2
171.08112	4.1
171.11694	18.1
173.06007	11.6
173.09668	5.5
173.13297	3.7
175.11220	3.0
177.09148	4.5
177.11203	1.9
178.07761	2.1
179.08603	4.4
180.09415	4.3
181.10143	6.4
182.10841	2.9
183.08107	3.2
183.11740	12.6
184.08865	6.1
185.09647	7.7
185.13271	6.5
187.07582	5.5
187.11226	4.3
187.14832	2.8
189.05540	2.2
189.09052	2.4
191.07083	2.8
193.10118	7.4
194.10945	4.4
195.08119	2.3
195.11707	9.3
196.08867	2.6
197.09610	6.6
197.13301	12.5
198.10411	3.7
199.11211	30.7
200.12013	2.9
201.09125	4.6
201.12772	3.6
205.08563	2.2
205.10239	3.3
206.11003	4.7
207.11736	6.6
208.12518	2.7
209.09673	6.6
209.13301	3.9
210.10381	2.0
211.11220	10.2
211.14713	2.1
213.09052	2.1
213.12756	22.3
215.08659	2.0
215.14322	4.9
216.09409	3.0
217.10185	4.1
219.11700	7.0
220.12541	3.6
221.09680	3.1
221.13255	6.5
222.10556	2.5
222.14146	1.9
223.11185	7.2
225.09038	1.9
225.12706	4.1
227.10674	2.2
227.20116	14.7
228.20494	3.1
229.10278	2.8
229.12305	4.6
230.11076	2.3
231.11728	5.2
232.12440	3.4
233.09607	2.1
233.13303	6.6
235.11229	3.8
235.14790	4.6
237.12730	5.4
239.10716	3.2
239.14287	3.5
242.10944	2.1
243.11703	6.4
244.12488	3.9
245.13377	7.3
246.14020	3.0
247.11247	2.0
247.14844	5.6
249.12787	6.6
250.14243	2.5
251.14388	8.3
255.11642	1.9
256.12503	3.6
257.13321	3.6
258.14096	3.9
259.11087	2.4
259.14957	4.9
261.12790	3.9
261.16309	1.9
263.14368	5.0
265.15997	1.9
267.11673	2.7
268.12405	4.3
269.13208	7.8
270.14041	4.4
271.11206	4.5
271.14865	8.3
272.11880	3.6
272.15506	2.0
273.12759	3.8
273.16397	3.3
274.16986	1.9
275.14560	2.3
275.17911	3.4
277.15829	5.6
280.12488	2.5
281.13171	4.5
283.14761	6.6
284.15503	2.5
285.12671	4.3
285.16263	3.3
286.13480	3.2
287.14288	5.0
287.17896	4.0
289.12451	2.3
289.15820	2.4
291.13809	2.7
293.13269	2.4
295.14819	3.7
296.15927	2.0
297.12900	3.6
297.16245	1.9
299.10718	1.8
299.14493	3.4
299.17828	5.2
300.15085	2.2
301.12488	2.0
301.15924	5.8
302.16586	2.3
303.13892	3.0
303.17194	2.1
305.18900	2.5
308.15488	2.1
311.14325	3.5
311.17828	3.5
313.16022	3.1
313.19601	4.2
315.13840	2.1
315.17200	3.3
316.14627	1.6
317.15228	1.8
317.19089	4.6
319.16934	2.0
323.18069	2.0
326.16653	4.8
327.13824	3.3
327.17316	1.9
329.15384	12.0
329.18933	3.6
331.16879	3.4
331.20416	3.7
333.18640	3.1
335.20090	1.8
339.13773	3.4
341.19159	9.5
343.16763	5.1
343.20612	3.0
344.17651	3.1
345.14786	5.4
345.18677	4.2
347.16464	7.5
347.20197	2.5
354.16165	6.0
354.26700	1.8
357.14899	2.2
357.18604	14.2
359.20007	21.7
361.18024	5.3
369.18506	29.2
372.17172	3.8
375.19550	11.9
377.21225	10.4
387.19595	100.0
388.19803	2.0
405.20651	51.3
419.22018	4.0
423.21735	3.2
429.20752	3.3
447.21835	24.9
465.22748	29.9
487.24777	2.9
491.22565	3.1
505.25858	2.2
507.23950	12.0
509.23157	10.4
525.24933	16.0
527.24280	3.3
543.25348	2.2
565.27759	3.4
569.25580	9.0
587.26031	5.4
607.29211	19.3
625.30353	10.4
689.36438	1.6
702.49286	8.3
746.51691	3.3
764.42700	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	763.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01883	1.4
55.05508	3.2
57.03432	1.6
59.04997	0.6
61.02934	3.7
67.05507	1.5
69.03433	38.8
69.07072	1.0
71.04349	0.6
71.04994	2.5
79.05495	2.0
81.03423	15.5
81.07052	2.4
83.01340	1.5
83.04988	5.8
84.05322	0.7
85.02908	70.8
91.05503	2.3
93.07043	2.8
95.04984	1.0
95.08616	2.0
97.02894	30.8
97.06538	6.6
98.20720	1.2
99.04460	12.8
103.03957	1.2
103.05489	2.0
105.07055	4.3
107.08599	2.7
109.02885	100.0
109.10165	1.5
111.08082	3.9
113.06093	0.6
117.07026	2.2
119.08619	2.9
121.06532	1.0
121.10153	2.2
123.08076	0.7
125.09689	0.7
127.03922	72.0
129.07036	1.4
131.04942	3.5
131.08592	1.3
133.06512	0.7
133.10167	2.8
135.08015	1.4
135.11705	0.5
136.06227	0.8
139.03906	7.0
139.07574	3.5
141.06927	0.6
143.08559	2.0
143.64230	0.6
145.04964	14.0
145.10132	2.8
147.08038	0.8
147.11697	1.0
149.09627	1.3
153.09146	0.9
155.08568	1.1
156.09315	0.8
157.10144	2.4
158.10420	0.6
159.08046	0.7
159.11720	3.4
161.05994	1.3
161.09624	1.6
162.06224	0.8
169.04984	16.4
169.10112	2.6
170.10768	0.8
171.11723	3.3
172.12053	1.2
173.09698	0.8
173.13287	1.1
175.15013	0.6
177.12851	0.7
178.09448	0.7
181.10133	1.4
183.11710	3.4
184.12083	1.2
185.09639	0.7
185.13306	3.3
187.06017	21.0
187.07690	1.0
187.14830	1.0
197.09360	0.6
197.13190	1.5
199.11147	0.9
199.14871	1.4
203.14511	0.7
205.07085	91.7
206.07437	0.8
211.11177	0.7
211.14653	1.0
213.12787	3.2
214.13136	0.8
215.10605	0.7
223.14734	1.2
225.16385	1.8
229.07077	3.5
235.14702	0.7
237.16388	0.9
241.19427	0.8
243.14014	0.6
243.17445	1.1
245.15358	1.6
246.15796	1.0
247.08217	4.2
265.19476	1.1
273.14526	0.7
283.20609	0.7
304.56512	0.6
309.21927	1.5
311.23596	1.0
327.23111	0.9
329.24829	1.0
330.15994	0.6
337.25229	1.2
349.25159	1.8
355.26099	1.1
356.16983	0.8
367.26407	3.1
385.27258	1.6
401.17255	0.7
402.17993	0.8
405.57928	0.7
416.19421	1.1
421.30786	0.9
433.20151	1.0
434.20184	1.9
448.22025	1.1
449.30582	1.0
466.22964	1.7
467.31467	0.9
485.32697	1.2
494.22382	0.8
521.89825	0.7
526.24969	1.1
611.17719	0.7
617.33160	3.9
652.51941	0.6
671.37488	1.7
684.87164	0.7
685.39050	1.8
703.40643	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	763.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01875	0.8
55.05513	2.0
57.03448	2.3
61.02936	4.8
65.03937	0.5
67.05512	5.8
69.03439	3.0
69.07070	1.5
71.05004	0.8
73.02927	3.3
79.05501	4.3
81.03426	3.3
81.07063	5.7
83.04987	1.2
83.08625	1.4
85.02913	6.0
86.09706	2.2
87.04475	0.8
90.66350	0.4
91.03967	3.3
91.05482	2.8
91.59299	0.6
93.07051	4.7
95.04993	1.6
95.08628	4.0
97.02908	4.9
97.06549	0.6
97.10188	0.6
99.04492	1.4
100.57922	0.5
101.02396	1.3
105.07053	1.4
107.04996	0.8
107.08608	2.5
109.02917	1.1
109.10168	1.9
111.04469	0.8
111.67191	0.4
115.03969	0.5
117.07005	0.9
119.08630	1.4
119.51899	0.5
121.10139	2.2
123.08067	0.4
123.11746	0.6
125.00060	1.5
127.03940	1.9
131.08580	1.2
133.10158	1.3
135.11755	1.6
145.02855	0.6
145.06528	0.4
145.10167	1.6
147.08038	0.5
149.13249	0.7
157.10173	0.7
163.11211	1.1
177.05533	1.8
184.07361	8.1
185.04214	0.9
185.07732	1.3
191.10825	0.5
193.12251	0.8
243.08553	1.8
249.11023	1.1
267.15973	2.1
268.16223	0.8
305.13742	0.6
335.26132	0.6
337.27335	1.2
338.27951	1.0
400.96191	0.5
411.20148	0.6
413.18054	0.7
467.18930	3.4
485.20087	3.1
507.27847	0.5
519.29309	6.2
529.38794	0.5
530.39398	2.4
548.40430	1.2
649.27557	0.5
713.45386	0.8
745.41559	4.9
763.42249	100.0
764.42322	4.8
785.12549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
54.17741	0.4
55.01865	0.5
55.05514	1.3
57.03445	1.6
57.07088	0.4
59.04997	0.3
60.08183	0.7
61.02925	6.2
65.03951	0.6
67.05505	6.7
69.03435	3.8
69.07079	1.9
70.99529	0.3
71.01364	0.8
71.04987	1.0
71.05369	0.3
71.07364	0.3
72.45914	0.4
73.02917	3.3
79.05491	4.1
81.03419	2.3
81.07057	6.8
83.04987	0.9
83.08615	0.8
85.02904	5.9
85.03368	0.5
86.09710	3.0
87.04459	0.5
87.10056	0.4
91.03957	3.9
91.05488	2.7
93.07045	4.6
94.91993	0.4
95.04990	1.1
95.08604	5.3
97.02893	5.6
97.03446	0.6
97.06565	0.8
98.98513	0.4
99.04469	1.4
101.02377	1.8
103.03952	0.6
105.07014	1.8
107.04968	0.8
107.08607	3.2
108.31696	0.4
109.02887	1.2
109.06565	0.7
109.10159	2.1
111.04427	0.4
115.03929	0.5
117.07072	0.7
119.08578	2.1
121.10146	2.9
123.08127	0.4
123.11747	0.4
124.99977	1.7
127.03938	1.7
129.05490	0.5
131.08560	0.7
133.10182	1.1
135.11690	2.6
136.06345	0.3
145.05042	0.4
145.10182	1.6
147.04361	0.3
147.11691	0.6
149.13252	0.6
153.12750	0.4
159.11694	0.9
161.13440	0.4
163.11223	1.6
173.13443	0.3
181.12318	0.5
184.07338	11.2
185.04225	0.7
185.07800	1.1
203.05348	0.5
209.11790	0.7
243.08434	2.2
249.11073	0.7
261.22116	0.4
267.12106	1.8
267.15714	0.5
279.23203	0.5
297.15967	0.4
323.14621	0.4
325.21805	0.4
335.25836	1.0
338.27481	0.6
352.91742	0.4
398.13477	0.3
406.29791	0.4
441.17291	2.9
467.18570	2.0
467.31900	0.5
484.91492	0.4
485.19977	3.7
519.29272	7.0
573.49512	0.4
713.45721	0.6
719.39923	1.3
745.41144	4.8
763.42322	100.0
764.42609	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	763.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01846	0.8
65.03926	0.4
67.05494	0.9
69.03409	0.8
69.78828	2.0
77.03936	1.0
79.05499	1.6
81.03406	0.9
81.07036	1.5
83.04958	0.5
85.02879	0.5
91.05475	4.1
93.07048	2.4
95.04976	3.0
95.08598	1.5
97.02885	0.5
101.66724	0.3
102.04734	0.4
103.05470	46.5
104.05829	0.4
105.04535	0.9
105.07029	5.0
107.04935	0.4
107.08578	1.3
109.06503	0.8
109.10159	0.4
115.05474	1.0
117.07020	2.9
119.04953	0.5
119.08585	3.9
121.06493	1.1
121.10143	0.6
125.05956	0.7
128.06223	1.7
129.07008	1.6
131.04929	100.0
131.08575	3.8
132.05174	0.8
133.06497	1.5
133.10120	3.8
135.08075	1.1
137.05965	0.6
141.06982	1.1
142.07738	1.1
143.08568	3.3
145.06467	1.7
145.10123	1.9
146.07262	0.7
147.08060	2.6
149.05962	0.4
149.09567	1.8
153.05498	0.7
153.06943	0.6
155.08549	1.4
156.09378	1.3
157.06465	0.7
157.10118	5.3
158.79475	0.4
159.08054	3.7
159.11694	2.5
161.06018	1.6
161.09628	2.4
163.07536	1.5
165.06975	0.5
167.08601	1.0
168.09280	0.5
169.04974	0.5
169.06432	0.6
169.10126	2.8
170.10849	0.5
171.08022	2.2
171.11667	4.9
172.08823	0.5
173.05974	0.6
173.09641	1.8
173.13335	0.8
175.07469	1.0
177.09093	2.8
179.07083	0.5
179.08556	0.8
181.10135	1.1
183.08041	1.1
183.11665	3.6
185.09663	2.0
185.13268	2.2
187.07539	1.4
187.11212	1.0
189.05547	0.4
189.09070	3.0
189.12820	0.4
191.06984	0.7
191.10657	0.4
193.08592	0.7
193.10121	1.1
194.10915	0.8
195.11723	0.9
197.09593	2.9
197.13287	0.9
199.07561	0.8
199.11258	2.3
200.11928	0.5
201.09175	0.7
201.12735	0.9
203.06906	0.5
203.10738	0.5
205.08563	0.5
206.10905	1.0
207.06541	0.5
207.11731	1.3
208.12498	0.6
209.09604	1.3
209.13281	1.0
211.07590	0.8
211.11224	1.1
211.15027	0.4
213.09126	0.9
213.12840	0.8
215.07004	0.6
215.10629	0.9
216.07823	0.9
217.08598	1.6
217.10382	0.7
217.12204	0.7
218.10974	0.5
219.08276	0.5
219.10178	1.2
219.11963	0.6
220.12364	0.5
221.13283	1.6
223.11197	0.8
223.14835	1.0
225.09062	1.1
225.12717	0.5
227.10690	2.3
229.08424	0.8
229.10365	0.5
229.12282	1.0
230.10863	0.6
231.09895	3.3
231.12050	0.8
231.13773	0.8
232.12540	1.1
233.13242	1.3
233.15324	0.5
235.11316	0.8
235.14757	0.6
237.12708	0.7
239.10774	0.6
243.11699	1.1
244.12611	0.5
245.13351	0.8
245.15439	0.5
246.14017	0.8
247.11388	0.6
247.14813	1.8
249.11102	4.1
249.16406	0.8
253.10081	0.4
257.13284	0.8
258.14108	0.7
259.15015	0.6
260.15488	0.5
261.12680	0.9
261.16437	0.5
262.70120	0.4
263.14291	0.4
270.14008	0.8
271.10950	0.5
271.14905	0.6
273.12833	0.7
273.16452	0.5
275.14319	0.8
277.16010	0.5
283.14725	0.9
286.13452	0.6
287.12772	0.5
287.14667	0.5
287.17722	0.4
289.15878	0.6
291.13885	0.9
291.17093	0.7
297.16165	0.7
299.14108	0.4
300.14984	0.8
301.15881	1.0
303.13956	0.5
303.17319	0.6
305.15552	0.6
313.12250	0.4
313.15698	0.5
315.13928	0.4
315.17499	1.2
317.15375	0.5
319.16949	0.9
321.18530	0.7
325.15738	0.6
328.14700	0.5
329.15414	1.4
331.16907	1.1
333.18549	0.8
337.17981	0.6
343.17026	2.3
345.18494	0.6
347.16394	1.3
349.18024	0.8
351.19659	0.4
353.15546	0.5
359.16809	0.8
361.18054	2.3
365.17355	1.1
371.16525	1.9
373.17920	0.4
379.19003	1.3
389.17480	2.0
393.20810	0.7
397.16251	0.5
399.15775	0.8
403.19183	0.7
405.20688	0.5
407.18457	2.1
417.16608	0.6
421.20059	0.6
431.18582	1.4
435.18036	0.6
439.21576	1.8
449.19272	2.7
467.20837	1.6
597.24823	0.7
615.26013	0.5
763.43048	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	763.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01868	4.0
55.05513	1.4
60.09988	0.8
67.05500	4.2
68.02914	0.8
69.03413	1.7
70.06629	0.8
71.04989	5.9
71.74372	0.8
77.03914	1.3
79.05497	6.0
81.03417	3.4
81.07072	1.1
83.04980	2.7
91.05492	6.9
93.07028	2.2
95.01322	1.7
95.04985	12.7
95.08618	1.3
97.02912	2.0
99.04441	2.6
103.05474	56.9
105.07031	13.6
107.04975	2.1
107.08589	1.2
108.25205	0.9
109.06510	2.5
115.05453	3.6
117.07052	4.9
119.04894	1.3
119.08603	4.3
121.06514	2.4
123.04436	0.9
123.08103	1.4
125.06004	2.2
128.06238	4.3
129.07056	4.2
131.04933	100.0
131.08559	4.7
133.06508	12.2
133.10130	1.3
135.04382	1.7
135.08069	2.8
137.05991	3.4
141.07002	3.4
142.07777	3.6
143.08597	6.0
145.06480	4.6
145.10104	1.7
147.04431	2.1
147.08006	1.9
149.06007	2.1
151.07582	1.0
153.06979	2.5
154.07767	2.6
155.08569	3.3
156.09369	4.9
157.06528	1.7
157.10098	4.4
158.07327	2.6
159.08093	5.0
159.11713	1.6
161.05992	28.7
161.09618	1.7
163.07561	6.9
165.05580	1.2
165.07024	2.8
167.08630	3.2
169.06499	3.8
169.10141	6.6
170.07280	1.3
170.10780	1.6
171.08096	5.3
171.11688	8.1
172.08823	2.0
173.05995	2.5
173.09602	2.4
175.07553	2.7
179.07057	2.4
179.08615	2.4
181.06477	1.6
181.10110	2.7
182.07164	1.2
183.08087	4.6
183.11722	3.0
184.08871	2.5
185.06053	2.0
185.09619	4.8
185.13222	0.9
187.07562	2.5
187.11179	2.9
189.09200	2.5
193.10139	1.7
195.08102	2.2
195.11635	1.5
196.08849	1.1
197.05965	2.4
197.09637	11.1
199.07600	3.4
199.11205	15.7
201.09148	3.1
203.07072	1.8
205.08592	1.5
205.10240	1.3
207.08162	2.1
207.11734	1.8
208.08772	1.1
209.09660	2.6
210.10356	1.0
211.07547	2.1
211.11183	2.0
213.09140	7.8
213.12665	1.6
215.07031	1.6
215.10699	3.9
215.83575	0.9
217.08612	2.2
221.09674	1.8
223.07631	1.5
223.11171	1.6
224.08301	1.1
225.05466	1.3
225.09093	15.5
227.07007	1.7
227.10677	2.3
229.08548	1.5
235.07515	1.8
235.11263	1.2
237.09158	1.6
239.10666	2.1
241.08621	8.7
243.06471	1.4
243.10191	3.6
245.08151	1.3
247.09624	1.5
249.09151	2.0
250.09927	1.0
251.10654	1.7
253.08539	1.5
253.12386	0.9
255.10191	3.1
257.08038	15.4
257.10797	1.1
257.11606	0.8
259.09634	9.6
261.08969	1.0
267.10150	2.0
271.09613	2.7
283.09586	1.6
285.11093	4.9
287.14291	1.1
289.12164	1.0
301.10632	10.1
303.12320	3.8
309.11349	1.5
319.12051	0.9
325.12482	1.0
327.12662	1.1
329.15424	1.3
331.16797	1.4
339.13513	1.3
357.14597	2.5
361.14038	1.7
373.14462	1.7
375.15912	1.7
377.17377	2.4
385.14151	3.3
391.15164	1.9
395.18445	1.3
399.14273	2.0
401.15869	3.8
403.15457	3.6
405.17062	1.7
413.13925	1.1
417.15585	4.0
419.14941	1.9
421.16360	3.0
431.14853	2.7
433.16428	1.6
439.17426	1.1
445.16556	4.8
449.15915	2.9
451.17535	2.8
455.16931	1.1
463.17599	10.5
481.18802	8.8
499.20175	1.6
537.21124	3.2
547.19403	3.5
549.20770	2.1
561.21130	2.6
567.22058	3.5
579.22137	6.0
582.07916	0.9
597.23438	7.1
709.26904	1.2
727.26788	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.6
55.01871	3.2
55.05512	1.0
56.21172	0.5
59.81080	0.5
65.03948	1.0
65.94465	0.5
67.05504	2.7
69.03424	1.2
71.04999	4.8
73.79776	0.5
77.03928	1.3
79.05499	2.8
81.03435	3.2
81.07046	1.5
83.04960	0.9
85.02924	0.6
91.05495	5.9
93.07042	2.4
95.01380	1.3
95.04971	12.3
95.08617	1.2
97.02927	1.0
97.06548	0.5
99.04453	4.0
102.04713	0.6
103.05476	52.6
105.04500	1.1
105.07038	12.6
107.04984	3.3
107.08611	0.7
109.06532	2.2
111.04462	0.9
115.05447	4.8
116.06252	0.9
117.07013	3.3
119.04949	1.8
119.08569	2.9
121.02893	0.8
121.06519	2.7
123.04421	1.4
123.08050	1.0
125.05982	1.6
128.06233	3.3
129.06999	3.8
131.04936	100.0
131.08572	4.9
132.05254	1.0
133.06496	13.1
135.04448	1.2
135.08046	3.2
137.06023	2.6
139.03935	0.7
141.06981	3.4
142.07808	3.9
143.08556	8.2
144.09381	0.7
145.06506	4.8
145.10153	1.9
147.04431	0.7
147.08023	2.7
149.05984	2.8
151.03928	0.6
151.07578	1.5
152.06226	0.8
153.05548	1.0
153.06947	1.2
154.07809	1.8
155.08577	4.0
155.09654	0.6
156.09337	4.8
157.06496	2.2
157.10138	4.9
158.07286	1.2
159.04318	0.7
159.08073	5.4
159.11676	1.5
161.05986	26.9
161.09607	1.3
162.06781	0.7
163.07558	6.6
165.05707	0.8
165.07027	2.1
166.07794	1.5
167.08598	2.7
168.09358	0.8
169.06505	3.5
169.10114	5.8
170.07274	0.8
170.10928	1.2
171.08076	5.3
171.11693	4.7
172.08823	0.9
173.06029	2.7
173.09538	2.9
175.07581	1.7
175.11322	0.6
177.05498	1.1
177.09082	1.0
178.07701	0.8
179.07011	2.4
179.08583	3.6
180.09363	1.2
181.06525	1.3
181.10130	2.8
182.07339	1.6
183.08060	5.0
183.11707	1.9
184.08871	2.9
185.06021	1.7
185.09616	6.0
185.13228	0.9
187.07581	4.2
187.11227	2.3
189.05481	1.3
189.09088	1.2
191.07103	0.7
191.08690	1.0
192.09373	0.8
193.10165	1.6
194.10942	0.9
195.08031	2.9
195.11676	1.3
196.08835	1.5
197.05994	1.8
197.09644	9.2
198.06795	1.2
198.10373	1.4
199.07527	3.6
199.11176	16.5
200.08331	0.6
200.11580	0.7
201.05521	0.9
201.09117	1.8
202.07718	0.7
203.06970	1.2
205.08704	1.5
205.10332	0.6
207.08072	2.3
207.09891	0.5
207.11685	1.8
208.08942	0.8
209.05949	0.9
209.09659	2.8
211.07578	3.3
211.11198	2.0
213.05637	0.8
213.09131	8.4
213.12852	0.8
214.09708	0.6
215.07036	1.1
215.10661	4.1
217.08630	2.3
219.10017	1.2
220.09018	0.6
221.09669	1.5
221.13239	0.8
222.10393	0.6
223.07698	2.6
223.11171	2.1
224.08409	0.7
225.05638	1.0
225.09119	15.7
225.12627	0.8
227.07097	2.3
227.10646	1.4
229.08521	2.4
229.10460	0.8
230.10957	0.7
231.06419	0.7
231.09924	0.9
231.11940	0.7
233.09808	1.3
233.13327	0.9
234.10278	0.8
235.07535	1.6
235.11313	1.4
237.09105	2.1
237.12801	1.0
239.06982	1.0
239.10753	3.1
241.08530	7.4
243.06493	1.0
243.09933	4.4
244.12535	0.7
245.08105	1.9
247.09470	3.5
249.09225	1.3
249.12743	0.7
251.07043	1.1
251.10678	2.3
253.08566	1.7
253.12257	1.3
255.09898	2.9
257.08115	14.7
257.11777	2.4
259.09558	7.8
261.08847	0.6
263.10687	0.7
264.11746	0.8
265.12357	0.7
267.09995	2.8
269.08209	1.5
269.11606	0.7
271.09705	2.3
272.12012	1.0
273.11285	1.6
275.09271	0.7
279.10287	1.5
281.11710	0.9
283.09561	1.4
285.11191	5.0
286.13486	0.7
287.14410	0.9
291.10257	1.2
291.13422	0.7
295.09479	0.6
297.11859	0.7
298.13483	0.8
299.10513	1.1
301.10733	9.2
303.12216	5.3
309.11353	0.7
313.12192	1.3
313.15735	0.8
315.13654	1.4
317.11957	0.8
317.15433	1.6
319.11957	0.6
325.11954	1.1
327.13278	0.9
329.15192	1.1
331.13263	0.7
331.16946	1.5
339.13651	0.9
340.14465	0.6
341.15033	1.0
343.13327	1.6
347.16489	1.3
349.18274	0.8
355.13437	1.0
357.14819	2.9
359.16101	2.0
361.14392	1.1
367.13306	1.2
371.12878	1.0
373.14426	2.1
375.15543	1.7
377.17590	1.3
385.14410	4.2
387.15335	0.8
389.13770	0.7
391.15610	0.8
393.16891	0.9
395.13412	0.8
395.18634	1.1
399.14359	1.3
401.15649	2.9
403.15335	4.1
405.17142	0.7
413.13998	1.4
417.15509	4.1
419.14334	2.5
421.16418	3.3
427.15335	1.2
431.15082	2.8
433.16354	2.9
435.18100	1.5
437.15860	0.6
439.17831	2.0
445.16324	4.4
449.15967	2.8
451.17490	3.6
453.18973	0.9
455.16788	0.6
463.17560	12.9
467.17197	0.6
481.18741	8.3
499.19534	1.5
501.19064	0.6
519.19897	0.8
531.19965	1.1
533.21588	0.7
537.21344	2.3
547.19617	4.2
549.21240	2.0
551.22278	0.8
561.21155	2.3
565.20300	1.1
567.22467	2.9
579.22247	8.1
580.23206	0.6
597.23425	7.5
615.24384	1.6
709.26514	0.9
727.27222	1.7
745.28546	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
53.09508	1.2
55.01872	1.5
55.05503	2.3
66.07784	1.0
67.05498	1.5
69.03428	6.3
69.07076	1.3
70.06599	11.6
74.09739	1.9
77.03918	1.3
79.05489	3.3
81.07057	4.0
82.02949	8.1
83.01337	2.0
83.04977	3.3
86.06075	15.8
87.04477	8.0
91.05477	6.7
93.07040	3.4
95.04972	5.9
95.08605	1.4
96.08112	1.4
98.05416	2.2
98.06060	51.6
103.05473	55.4
105.04555	1.2
105.07038	8.3
107.08590	2.7
109.06499	1.7
115.05465	4.0
116.06264	1.4
117.07021	33.7
119.08593	14.8
121.06507	1.8
122.06015	7.9
124.07606	7.7
128.06267	2.4
129.06982	8.1
131.04936	100.0
131.08572	10.2
133.06531	2.4
133.10129	4.5
135.08034	1.7
136.07581	1.3
141.06987	1.5
142.07797	3.6
143.04895	1.7
143.08565	9.6
144.09267	1.4
145.06514	11.2
145.10126	7.4
147.08060	2.6
147.11726	1.4
149.09630	5.4
150.05505	13.2
152.07056	1.9
153.07001	1.3
155.08609	2.8
156.09357	2.9
157.06535	2.2
157.10123	12.1
159.08041	6.1
159.11722	15.6
161.09599	2.7
167.08626	6.1
168.06613	8.3
168.09337	2.4
169.10132	9.9
171.08171	2.4
171.11713	11.3
172.08749	1.8
173.06053	1.7
173.09625	5.4
173.13293	5.5
177.09122	1.2
181.10130	2.9
183.08261	2.4
183.11702	29.0
183.68578	1.6
185.09685	2.9
185.13289	4.0
187.11195	5.8
191.10663	1.4
193.10141	4.3
195.08104	2.0
195.11726	3.5
197.09680	6.4
198.89702	1.4
199.11229	6.2
200.10707	6.0
201.09180	2.5
201.12827	8.1
202.12299	15.6
205.10179	2.0
206.10898	2.8
207.11732	5.6
209.09581	2.0
209.13234	2.0
211.11203	7.4
213.12791	2.5
214.12280	3.9
216.09238	1.3
217.10187	2.7
217.12169	1.3
218.11076	1.8
219.11787	1.9
220.12422	2.3
221.13257	3.4
223.11264	2.0
228.10133	4.0
229.12260	5.4
230.11795	17.9
231.11665	4.1
231.13757	2.8
232.12454	6.3
233.09755	1.3
233.13249	4.0
233.15413	4.1
235.11195	2.1
235.14836	1.6
237.12746	2.0
241.12312	1.4
242.11473	2.7
243.11717	3.3
243.13841	3.5
244.12558	1.2
245.13481	2.6
246.11234	5.2
246.14079	3.9
247.11369	1.8
247.12383	1.4
247.14865	10.8
248.12837	31.1
249.12854	3.5
252.13943	2.3
255.11783	2.4
256.09796	1.5
256.12811	2.2
257.13284	4.7
258.11230	3.4
258.14063	2.1
259.11139	2.1
259.14886	3.2
260.12564	2.3
261.14886	1.5
261.16458	4.5
263.14420	2.3
263.71280	1.3
264.12268	1.5
269.13272	3.5
270.14117	2.6
271.14893	3.6
272.12180	1.5
272.15485	1.6
273.12500	1.7
273.16376	1.7
274.10724	5.6
274.13776	2.1
275.14307	2.8
276.12347	2.7
276.15607	1.6
279.11679	1.9
279.17548	1.4
280.13214	2.1
282.14819	2.4
283.11362	1.3
283.14789	2.1
284.15680	2.7
285.12918	2.3
285.16367	5.8
286.13934	1.4
287.14246	1.5
289.15704	4.6
290.16565	1.8
297.12817	2.4
298.14124	3.2
299.14362	1.6
299.17804	3.2
300.15649	2.3
301.15958	2.0
301.19955	1.3
303.17358	1.4
306.15042	1.3
309.16418	2.4
312.15137	2.0
313.15759	2.9
315.17453	1.4
317.15320	1.8
321.18573	2.3
327.17633	6.9
329.18991	4.2
337.15823	1.8
342.17822	1.7
355.16800	2.8
360.18106	1.9
373.17715	3.1
384.23224	1.4
398.21066	1.7
412.23117	2.9
416.22495	6.1
418.19830	2.0
426.20486	1.5
430.23865	6.0
440.22238	7.0
444.21381	1.6
458.23325	17.7
459.23468	1.7
460.24969	2.8
468.21783	2.9
472.24927	2.9
476.24380	7.9
486.22687	9.5
490.25851	13.9
497.21509	1.9
500.24265	5.4
504.23901	18.2
508.26813	7.8
518.25378	11.7
522.24695	6.1
526.27954	3.6
536.26514	16.7
540.25348	1.3
554.27423	13.5
564.25568	2.9
582.26819	4.5
596.28534	4.6
652.29028	3.2
666.30591	1.5
702.32520	3.6
712.30743	1.9
730.31677	2.6
744.33759	3.1
762.34412	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	762.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.5
55.01870	5.0
55.05505	6.3
58.06600	15.4
67.05510	3.4
68.05029	3.5
69.03428	21.8
69.07060	3.1
70.06590	30.5
74.09700	3.1
76.04321	2.1
77.03926	4.1
79.05497	8.4
80.05016	2.6
81.03417	4.3
81.07050	7.9
82.02944	16.7
83.01324	3.0
83.04978	11.3
84.04504	2.9
85.02913	20.4
86.06075	28.2
87.04474	14.2
91.05495	11.9
93.07045	13.1
94.06550	2.5
95.04979	12.5
95.08603	4.4
96.04541	2.3
96.08129	4.2
97.02895	7.7
98.06062	100.0
98.21537	3.5
100.07635	3.4
103.05486	35.1
105.03400	93.9
105.04479	4.2
105.07040	15.9
107.04937	2.6
107.08604	7.5
109.02892	21.3
109.06534	5.4
115.05460	10.0
116.07083	2.7
117.07030	45.7
119.08591	29.7
121.10168	2.4
122.06033	16.8
124.07594	15.8
126.05442	2.7
127.03922	14.8
128.06224	8.2
129.07005	13.2
131.04927	51.0
131.08580	20.9
133.06480	6.1
133.10123	17.6
135.08063	6.9
136.07558	2.6
140.07094	5.4
141.07002	4.8
142.07761	10.5
143.04893	5.4
143.08600	19.7
145.05003	2.8
145.05299	3.1
145.06488	26.4
145.10100	18.0
147.08055	9.4
149.05971	3.6
149.09627	4.4
150.05539	22.3
152.07062	5.3
153.06970	2.5
155.08543	14.4
156.09348	15.9
157.06529	6.2
157.10143	27.8
159.08096	12.1
159.11681	7.9
161.06032	5.2
161.09634	11.9
162.09138	2.8
165.07002	5.3
167.08571	10.5
168.06618	27.1
169.10123	17.2
170.10928	14.7
171.08107	11.5
171.11694	49.6
172.08846	3.9
173.06030	3.5
173.09645	13.6
173.13258	4.6
175.11217	4.9
177.08931	2.8
179.08557	5.5
180.09280	4.3
181.10097	8.0
183.08067	8.9
183.11716	49.4
184.08838	5.9
185.09662	9.7
185.13283	47.5
187.11221	7.5
189.09207	2.7
193.10146	7.7
195.08115	7.8
195.11679	13.5
197.09673	12.5
197.13181	5.9
198.10405	7.3
199.11183	28.4
200.10722	6.8
201.09081	3.2
201.12779	5.2
202.12239	19.1
205.07022	4.3
205.10152	3.8
205.12186	3.8
207.11731	9.6
209.09579	7.9
209.13260	4.0
211.11246	19.7
213.09338	3.7
213.12762	62.5
214.12265	7.3
217.10275	3.3
217.12146	3.2
218.10857	2.1
219.11702	7.5
220.09184	2.2
220.12534	2.7
221.09644	2.8
221.13287	7.4
223.11194	8.1
225.09135	6.3
225.12675	4.3
228.10271	11.2
229.12213	4.6
230.11790	27.2
231.11894	4.5
231.13837	5.9
232.12479	6.2
233.13249	7.9
235.11098	4.0
237.09128	3.1
237.12798	3.3
237.16418	3.1
241.12289	4.1
242.11461	4.9
243.11682	6.9
243.13847	4.8
244.12621	9.2
245.09700	2.4
245.13185	10.3
245.15425	15.9
246.11183	7.8
246.13823	3.0
247.11403	5.3
247.14806	7.3
248.12837	38.2
249.09026	2.8
249.12843	5.8
249.16281	4.6
251.10585	3.5
255.11583	3.4
255.13992	4.8
256.09677	4.6
256.12479	2.9
257.13254	7.1
258.11218	11.8
258.13940	4.5
259.14932	16.7
260.12494	6.3
260.15488	3.0
261.12796	6.8
261.16364	8.7
262.14105	7.7
263.14252	3.1
263.18118	3.2
265.12305	4.8
265.15891	5.4
267.11676	2.5
268.12695	3.3
269.13263	8.0
270.14096	4.6
271.14935	2.5
272.12149	3.7
273.14636	22.2
274.10718	10.1
274.13455	4.0
275.14328	5.3
276.12320	9.3
277.15909	5.3
279.13934	2.8
279.17322	4.6
280.13065	3.7
281.13113	3.2
282.14285	4.6
283.11307	3.7
283.14621	5.0
284.12021	5.1
284.15408	3.6
285.12845	4.1
285.16418	6.5
286.13983	5.3
287.11243	2.1
287.14270	12.9
287.17749	4.8
289.15756	6.1
291.17474	6.8
297.13010	2.7
297.16330	7.2
298.14053	5.5
299.14383	7.5
299.18039	4.6
301.15915	14.5
302.16684	5.8
303.17398	2.4
307.16953	4.2
311.17929	8.5
312.15018	3.0
313.15854	5.2
313.19370	3.5
315.13742	2.9
315.17352	3.0
319.16840	5.5
324.15054	3.4
325.15964	3.9
327.17578	5.3
329.19104	7.7
333.17896	3.9
339.17456	10.1
340.15353	4.5
341.19168	3.0
345.18469	2.3
348.03363	2.4
351.19653	2.4
355.16885	3.0
357.18408	8.9
359.20267	3.3
362.17514	2.4
367.16940	4.4
370.21783	2.5
371.19931	3.4
390.17026	3.3
399.19446	4.2
410.21237	3.5
412.22763	4.2
424.22809	4.3
428.22171	8.2
430.19400	4.0
440.22180	4.1
442.24063	15.1
444.21359	3.2
446.23514	3.5
452.22128	6.8
458.23502	10.7
460.24643	5.9
461.75134	2.1
470.23343	44.2
474.26340	3.0
478.25659	3.6
484.24777	4.3
488.24405	39.6
490.25635	10.4
492.27576	2.5
502.25909	30.0
504.23672	2.4
506.25375	5.1
508.26871	5.6
520.26941	32.6
526.28259	3.7
530.25311	6.3
536.26288	7.6
538.27826	6.4
540.26337	3.8
548.26483	30.0
554.27490	7.1
562.27917	6.7
566.27307	9.0
580.29224	12.4
580.93134	2.6
582.27557	3.4
590.27362	3.9
592.26495	3.6
598.30353	16.8
608.28448	33.9
614.29480	13.3
622.30487	3.7
624.29193	2.7
640.30908	4.3
652.28699	3.9
670.29596	4.0
671.37341	7.7
684.31610	3.5
702.32520	4.2
712.30963	16.9
720.33856	3.8
730.32343	34.3
744.33661	20.8
762.33539	14.2
762.46063	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	762.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
55.01861	1.3
55.05509	2.3
63.64327	0.9
65.31837	1.0
67.05489	2.1
68.04992	1.1
69.03433	5.9
69.07073	2.7
70.06595	10.4
71.56046	1.9
71.95921	0.9
77.03930	1.4
77.52875	1.0
79.05498	3.0
81.03429	1.7
81.07053	2.4
82.02948	4.7
83.04974	3.1
86.06063	8.7
87.04471	5.5
91.05478	8.1
93.07054	3.4
95.04960	6.8
95.08614	2.0
96.04483	1.2
97.06586	1.1
98.06052	26.6
103.05453	2.8
105.03394	51.9
105.04550	3.1
105.07048	6.5
107.04990	1.1
107.08603	3.4
109.06551	1.5
114.05570	3.5
115.05489	3.5
116.06326	1.3
116.07130	3.3
117.07021	15.9
119.08574	11.2
121.06540	1.3
122.06058	3.4
124.07594	3.2
126.05521	1.2
128.06255	3.0
129.07045	4.4
131.04944	2.9
131.08569	6.4
133.06502	2.2
133.10156	7.7
135.08073	2.5
137.06004	1.2
140.07019	1.3
141.07033	2.4
142.07794	3.1
143.04936	1.7
143.08568	10.0
145.06491	9.8
145.10136	5.7
147.08069	4.4
148.07635	1.5
149.09668	2.4
150.05528	5.1
152.07135	1.3
155.08611	4.6
156.09369	6.4
157.06544	3.1
157.10123	11.6
159.08080	6.2
159.11775	2.2
161.09634	4.9
162.09218	1.7
163.11269	1.8
165.06953	2.4
165.09225	1.5
167.08607	2.9
168.06575	4.1
169.10106	5.7
170.10892	6.1
171.08052	8.1
171.11688	19.3
172.08862	2.0
173.06018	2.5
173.09618	5.4
173.13260	1.3
174.12772	1.2
175.11217	1.9
181.10242	2.6
182.10991	1.4
183.08090	4.2
183.11697	12.8
185.09651	6.6
185.13269	18.7
187.11269	2.7
191.05550	2.1
193.10187	1.7
195.08189	1.6
195.11691	6.1
197.09631	4.3
197.13344	2.8
198.10457	5.2
199.07620	1.4
199.11203	11.5
200.10651	2.5
201.12807	1.5
202.12285	10.8
207.11679	2.7
209.09669	2.2
209.13354	1.8
210.10622	1.3
211.11288	5.4
213.12749	45.0
214.12665	1.5
217.10283	1.7
218.11301	1.1
221.09747	1.8
221.13359	2.6
223.11252	2.0
228.10246	3.5
229.10179	1.6
229.12311	2.3
230.11826	10.5
231.09969	1.7
231.11882	2.4
231.13815	2.5
233.09627	1.4
233.13393	1.4
235.11293	1.6
235.14986	1.9
240.13818	1.4
241.12334	2.6
242.11865	2.3
243.11722	1.8
243.13890	1.5
244.12650	2.1
245.13333	3.0
245.15474	7.8
246.11157	1.9
247.11206	2.2
247.15022	2.6
248.12874	9.3
249.12947	1.5
251.14436	2.4
256.09735	1.6
256.12595	1.7
257.13107	2.4
258.11346	3.1
258.14075	2.4
259.11099	2.0
259.14859	4.0
260.12741	1.6
261.12967	1.6
261.16425	2.3
262.14081	1.2
267.11655	1.6
269.10217	9.6
269.13107	2.2
270.10983	6.1
271.11050	2.0
271.14917	2.6
273.14822	12.0
274.10764	2.5
274.17236	1.6
275.14359	2.1
276.12396	2.6
277.15891	1.8
281.13358	2.3
283.11417	1.2
283.14780	2.6
284.15619	1.6
285.12872	2.1
285.16327	1.8
287.14417	3.2
296.12726	1.4
297.16437	3.1
299.14426	2.6
299.17923	2.0
301.16168	2.6
311.18002	3.0
313.16049	2.7
315.17398	2.0
319.16870	3.0
321.16614	1.2
324.15247	1.9
325.15970	1.8
327.13779	1.2
327.17596	2.4
329.18979	2.7
333.17340	1.3
339.17487	5.1
340.15067	1.6
343.16809	1.1
357.18448	4.8
360.18039	1.3
367.17041	2.4
385.18048	2.0
417.19513	2.1
418.23920	1.7
424.23102	1.9
428.22455	3.9
442.23929	4.6
444.25922	1.4
452.22586	2.6
456.25858	1.2
457.22083	1.9
458.23099	2.0
460.24832	2.4
470.23233	12.8
484.25174	1.7
488.24411	11.4
490.25964	2.2
492.27887	1.3
495.23096	1.3
502.25998	10.0
520.26917	12.9
538.28076	1.8
542.25128	1.9
548.26459	10.2
562.28601	1.9
566.27710	1.9
580.29236	5.8
592.26996	2.0
598.30255	4.0
605.42267	1.2
606.28601	1.7
608.28363	9.8
622.30548	1.8
640.31372	5.0
652.29108	2.1
678.05353	1.1
702.32666	3.9
712.31110	5.8
730.32080	9.4
744.33691	8.0
762.34552	100.0
763.34888	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	761.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01875	0.6
55.05516	1.0
57.03437	1.2
59.04999	1.1
61.02931	3.4
67.05505	2.5
69.03437	2.6
70.06602	1.4
71.04996	2.1
73.02921	2.6
74.00163	0.5
79.05500	3.0
81.03417	5.1
81.03859	0.4
81.07072	3.0
83.05006	1.2
83.08629	1.2
85.02914	4.0
85.06548	0.9
86.06113	0.4
87.04475	0.7
90.77825	0.4
91.03957	2.2
91.05489	3.4
93.07063	2.5
95.04980	1.8
95.08646	1.2
97.02898	2.8
97.06556	0.9
99.04472	0.7
101.02386	1.3
103.05489	0.5
104.07155	0.6
105.03396	0.6
105.07018	3.3
107.08608	1.7
109.02914	0.7
109.06552	0.8
109.10168	0.5
111.08151	0.7
114.75712	0.4
116.07130	0.6
119.08582	2.1
121.10168	2.2
123.08053	0.4
126.05476	1.0
127.03954	1.1
129.07021	1.2
131.04980	0.9
131.08586	2.5
133.10124	2.2
143.08575	0.4
145.10205	0.4
146.08153	0.6
147.11653	2.0
149.08612	0.5
149.09656	2.4
149.10750	0.4
157.10184	1.5
159.11748	0.4
161.09608	0.4
169.44682	0.4
170.11081	0.4
171.11714	0.6
175.11229	1.6
183.11711	1.1
185.13242	1.0
193.12247	2.5
195.11652	0.5
197.15337	0.4
203.05264	0.6
213.12756	0.7
225.14882	1.0
243.08401	2.4
253.14018	0.5
267.15961	2.1
278.72156	0.4
283.15182	7.9
339.17792	2.3
441.20636	0.5
469.20416	1.0
501.23105	28.9
566.29272	0.4
599.34174	0.7
652.31744	0.5
761.39331	100.0
762.39771	4.1
776.92572	0.4
786.10248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
55.05268	0.6
55.05513	6.7
57.07072	0.5
65.03934	0.7
67.05508	2.7
69.03412	0.5
69.07069	1.3
71.81114	0.5
74.09731	0.7
79.05525	2.5
81.03419	0.9
81.07063	3.0
83.04990	7.3
83.08629	1.0
91.05472	4.1
93.07025	3.0
95.04992	1.1
95.08613	2.5
97.06509	0.8
97.10169	0.6
98.20711	1.0
103.05466	1.0
105.07027	2.9
107.05003	0.7
107.08587	1.3
109.06501	0.8
109.10156	1.1
115.05439	0.9
117.07045	1.8
119.04942	3.2
119.08593	4.5
121.10152	1.9
129.07018	1.3
131.04929	2.8
131.08586	1.3
132.21008	0.5
133.10141	1.6
142.07808	0.9
143.08560	1.6
145.06506	1.7
145.10098	1.3
147.04411	16.0
147.05518	1.0
147.08043	1.7
149.09615	1.2
155.08534	0.8
156.09389	0.8
157.10172	2.2
159.08112	1.2
161.09628	1.7
169.10162	1.2
170.10918	0.6
171.08104	1.5
171.11687	3.0
173.09625	1.5
175.11096	0.5
183.11758	1.9
185.09657	1.1
185.13345	1.3
187.11182	0.7
195.11739	1.2
197.09744	1.3
198.10544	0.7
199.11241	1.9
211.11212	0.6
213.12740	5.3
219.71292	0.6
233.15450	0.7
273.14948	2.0
281.11481	0.7
293.71136	0.5
295.13449	0.5
309.24393	1.1
327.25436	1.6
357.16736	1.6
369.85165	0.6
383.18256	1.1
397.20230	0.8
457.22092	2.7
524.09045	0.6
541.26056	0.7
579.46362	0.7
601.27789	2.6
683.32715	0.8
701.32983	100.0
702.32941	4.5
761.29150	0.9
761.40759	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	760.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.0
55.01867	3.5
55.05517	23.6
57.03444	22.4
57.07079	4.0
59.82552	1.4
61.02917	2.2
65.03936	3.5
67.05511	63.3
69.03433	4.8
69.07075	19.7
69.30709	6.0
69.31136	5.2
71.04990	2.7
77.03950	1.3
79.05500	52.0
81.03424	99.6
81.07063	70.3
83.05006	8.5
83.08630	25.6
85.06561	1.9
86.09718	4.9
91.05485	38.6
93.07050	55.9
94.07469	1.2
95.04978	31.2
95.08614	47.3
97.02889	5.0
97.06523	5.8
97.10186	7.7
99.08110	2.4
105.04527	1.6
105.07035	32.1
107.04945	8.6
107.08606	31.1
109.06517	6.0
109.10167	20.6
111.08059	8.7
115.05499	2.2
117.07039	9.0
119.04969	1.7
119.08582	27.9
121.06520	3.9
121.10149	30.8
123.04417	2.6
123.08078	3.6
123.11730	7.8
125.00015	3.5
125.09662	3.4
129.06998	12.6
131.04846	1.3
131.08588	22.7
133.06502	4.0
133.10146	15.4
135.08095	2.3
135.11687	15.3
136.06194	1.9
137.09650	2.1
142.07779	2.4
143.08556	2.9
145.10132	11.9
147.08047	3.8
147.11705	17.0
149.09654	6.2
149.13274	7.8
151.11252	1.6
157.10158	13.2
159.11719	11.0
161.13235	6.6
163.11189	2.6
163.14870	3.6
165.12781	3.7
169.10223	2.4
171.11740	4.2
173.13297	7.7
175.11208	8.8
175.14795	2.0
177.12753	1.8
177.16437	1.6
183.11624	2.0
184.07372	13.8
185.13272	2.7
187.14877	3.9
189.11255	2.7
189.12811	1.6
193.12253	23.5
201.16464	1.4
211.13284	2.6
227.12852	7.5
233.15428	2.0
235.13359	2.0
243.21114	4.5
247.16930	1.6
259.13202	1.3
261.22092	19.9
262.82214	1.3
267.15933	100.0
268.16235	1.4
279.23404	1.6
285.17145	2.7
285.22192	1.9
289.21680	2.3
299.23981	1.9
301.25113	6.7
309.17105	3.3
317.24734	4.0
327.88361	1.5
335.25839	81.0
336.26190	2.9
359.26010	1.6
421.25879	1.6
435.27441	3.1
435.32578	4.5
453.33911	7.5
471.34595	4.8
475.30533	1.9
509.36172	1.9
527.37354	65.9
528.37653	3.1
545.38409	61.6
546.38513	2.4
563.39465	4.1
569.38123	5.2
710.43359	2.4
780.92999	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.01873	4.3
55.05272	1.7
55.05515	31.5
57.03439	16.5
57.07077	13.1
59.05008	1.6
59.53918	1.5
61.02912	1.3
65.03947	3.4
67.05508	91.5
69.03442	2.2
69.07072	43.9
69.53857	10.3
71.04997	20.0
71.08645	8.1
73.06540	1.7
79.05498	57.4
81.07061	100.0
83.04985	9.8
83.08622	35.9
85.02909	2.9
85.06535	5.3
85.10188	4.6
91.05487	62.6
93.07047	60.4
95.04972	5.0
95.08610	60.1
97.06548	16.3
97.10172	17.0
99.08090	3.1
105.07042	29.2
107.08603	39.6
109.06483	3.0
109.10165	34.5
111.08084	11.3
111.11723	3.0
115.05410	2.1
115.07536	2.2
117.07019	36.9
119.08585	22.8
121.10147	39.4
123.08067	3.3
123.11709	17.0
125.09645	7.4
125.13264	1.8
129.07010	6.3
131.08577	32.4
133.10143	28.5
135.11720	29.2
135.23486	1.5
137.09598	2.8
137.13243	2.0
139.11177	4.0
141.06992	2.4
143.08582	8.4
145.10124	20.3
147.11699	10.0
149.09668	2.3
149.13272	17.9
151.11195	3.7
153.12746	6.6
155.08607	1.8
157.10110	6.3
159.11734	13.2
161.13239	4.2
163.11223	2.2
163.14822	5.6
167.14268	1.7
169.10080	1.9
171.11668	7.4
173.11809	2.2
173.13283	5.3
177.12817	4.0
181.15981	2.2
183.11678	2.4
187.13292	2.1
197.13336	2.2
205.19531	10.7
213.16583	3.2
215.18001	3.2
223.20506	7.6
229.14275	1.7
233.19057	2.2
239.17996	7.4
249.18710	1.7
251.20042	2.5
257.16721	1.9
257.19083	24.8
261.22046	2.0
269.21576	1.5
275.20081	12.8
287.22202	27.4
289.21457	1.5
301.20236	11.5
313.21802	2.4
323.22128	3.2
325.23730	64.0
331.22705	18.8
333.24402	2.0
335.25821	15.4
343.24811	28.6
349.23734	19.1
363.25143	3.0
381.26483	10.9
399.27441	17.1
415.26895	2.0
417.28430	27.7
503.37332	38.6
529.38885	5.6
561.41534	40.1
562.41522	2.2
599.43420	7.8
617.43872	3.4
647.36530	1.8
647.45361	16.1
661.24829	2.8
665.46136	9.2
673.46588	10.2
691.47766	32.8
705.49042	7.8
723.50549	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	758.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01871	1.6
55.05514	23.7
55.05788	1.3
57.03178	1.1
57.03439	9.0
57.07073	5.6
58.61905	0.5
59.05006	0.8
61.02925	2.8
65.03948	3.5
67.05507	73.5
68.05845	0.8
69.03427	2.5
69.07072	22.7
70.13567	2.7
71.04994	18.3
71.08627	3.4
73.06556	1.0
77.03917	0.8
79.05493	43.1
81.03419	3.3
81.07059	100.0
83.04988	6.0
83.08620	19.0
85.02884	3.1
85.06541	7.0
85.10201	1.6
87.04502	0.8
91.05482	42.0
93.07047	49.5
95.04972	4.6
95.08608	40.5
97.02888	1.4
97.06528	8.8
97.10166	8.6
98.20798	0.9
99.08105	2.1
101.05995	1.2
105.04561	0.9
105.07033	22.7
107.04977	1.2
107.08595	28.7
109.06529	3.3
109.10162	19.2
111.08080	5.0
111.11761	2.4
113.06042	0.9
115.05453	1.2
115.07578	0.7
117.07026	16.2
119.06139	0.6
119.08585	15.4
121.10148	25.0
123.08059	1.9
123.11713	15.3
125.09591	4.0
127.03895	0.8
129.07028	3.3
131.08578	18.1
133.10143	22.3
135.08112	1.7
135.11690	18.8
135.12717	1.3
137.09633	1.9
137.13275	1.4
139.11188	3.6
141.06993	1.4
142.07747	0.9
143.08574	3.0
145.10129	10.6
147.11691	6.3
149.09592	1.0
149.13257	10.1
151.11168	5.9
153.12773	2.5
155.08534	0.8
157.10124	3.5
159.11694	8.4
161.13260	3.3
163.11226	1.4
163.14835	2.3
167.10735	0.7
167.14334	1.7
169.10146	2.0
169.12357	0.9
171.11723	3.5
173.11882	0.7
173.13290	2.9
177.12830	1.8
179.14365	0.6
181.15912	0.8
183.11700	1.1
183.13878	1.4
185.13278	1.9
187.13290	2.8
187.14861	2.7
193.12292	0.8
195.13806	1.0
197.13306	0.8
201.16518	0.7
205.19484	4.7
211.14926	0.8
213.16501	1.0
215.18033	1.1
223.20583	2.6
227.16429	1.1
231.17595	0.6
233.18987	1.3
239.17969	2.2
251.20152	1.4
257.19131	7.4
259.20499	1.6
261.22232	1.7
269.17545	4.0
269.21118	1.2
275.20108	5.0
283.18958	0.7
285.16980	1.0
287.22137	13.9
301.20081	11.9
313.21625	1.2
323.22177	1.2
325.23734	20.1
331.22653	6.1
333.24246	0.7
335.25827	23.6
341.23373	1.7
343.24805	10.8
349.23752	7.2
351.28998	0.9
363.25305	1.3
381.26205	4.8
399.27432	8.8
411.32538	0.9
417.28525	8.4
485.36029	2.1
503.37338	73.1
504.37622	2.0
511.37390	0.8
517.38940	1.6
529.38727	10.6
547.40143	1.1
561.41516	72.8
562.41614	3.7
591.42194	0.8
599.43555	3.3
617.43909	1.2
647.45160	5.7
665.46198	1.6
673.46405	4.2
691.47821	9.7
705.48969	2.8
717.24603	0.7
723.50439	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	758.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01868	1.9
55.05262	1.2
55.05516	16.6
55.48577	0.6
57.03441	7.2
57.07075	2.7
59.04988	1.3
61.02922	3.5
64.81187	0.6
65.03951	2.7
67.05508	68.2
69.03429	1.5
69.06716	1.0
69.07070	11.2
69.21846	6.4
71.04997	23.3
73.02908	1.0
73.06530	0.9
77.03941	0.9
79.05497	36.2
80.41008	0.5
81.03424	0.9
81.07060	100.0
81.14117	0.6
81.16682	0.6
81.78831	0.7
83.04985	4.1
83.08617	8.2
85.02898	3.2
85.06550	8.0
91.03962	1.1
91.04633	0.7
91.04897	0.6
91.05483	31.8
93.07047	41.0
94.31146	0.6
95.04996	3.0
95.08613	31.4
97.02919	1.4
97.06538	5.2
97.10165	2.6
98.21565	1.3
99.08129	1.5
105.04504	0.9
105.07034	16.5
107.04887	0.6
107.08595	21.0
107.09298	1.2
109.06548	2.2
109.10161	13.8
111.08121	1.7
112.90147	0.6
117.07033	5.7
119.08573	8.4
121.10150	16.3
123.08060	0.8
123.11713	14.6
125.09602	0.8
129.07018	0.7
131.08575	8.5
133.09126	0.9
133.10138	18.4
135.11700	10.9
137.09534	0.6
139.11205	0.9
145.10130	5.0
147.11703	4.9
149.13269	7.2
151.11195	6.6
157.10156	0.7
159.11688	5.9
159.12686	0.6
161.13295	2.8
163.14844	0.8
169.10138	0.6
169.12231	1.4
171.11679	0.9
173.13293	3.0
175.14806	0.8
176.57091	0.7
177.12790	2.4
182.65918	0.6
183.11714	0.9
183.13849	2.9
185.13345	0.9
187.13339	3.7
187.14795	1.1
188.79214	0.7
195.13884	1.7
227.16452	2.7
243.15994	1.3
243.20930	1.0
253.18005	1.2
257.17557	1.9
259.20810	0.7
261.22180	2.5
269.17499	5.2
301.20105	20.4
335.25818	25.7
411.32721	1.7
437.34283	1.4
485.36279	4.0
503.37341	87.8
504.37558	2.4
511.38068	1.5
517.38660	3.1
529.38849	17.4
561.41522	91.0
562.41980	2.2
635.08978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.01882	3.0
55.05515	20.5
57.03436	14.1
57.07084	2.4
61.02916	4.2
65.03934	4.4
67.05508	70.2
69.03424	4.4
69.07076	19.3
69.50909	3.5
69.51324	6.0
71.04985	3.1
72.35748	1.2
73.02903	1.4
74.09717	1.8
76.21587	1.2
79.05499	47.8
79.05967	2.3
81.03419	5.1
81.07061	58.7
83.04983	12.0
83.08624	10.5
85.02889	7.0
85.06550	3.7
91.03968	2.3
91.05489	38.9
93.07048	54.2
95.04966	11.7
95.08610	41.5
97.02892	8.4
97.06522	6.3
97.10154	7.3
98.21499	2.7
99.04472	3.5
99.08076	2.0
103.05471	2.0
105.07036	26.7
107.04969	9.6
107.08606	34.9
109.06518	4.5
109.10175	21.1
111.04462	9.3
111.08113	4.3
112.15935	1.3
113.05976	2.1
113.09671	1.3
117.07020	15.2
119.08573	18.2
120.75768	1.4
121.06492	3.4
121.10153	23.5
123.08086	3.0
123.11684	6.4
125.09667	2.9
129.07030	5.8
130.07796	2.0
131.08572	20.3
131.60951	1.2
133.06541	2.2
133.10129	20.0
135.08055	2.7
135.11707	23.9
137.05864	1.4
137.09610	3.9
139.11174	1.5
143.08592	6.3
145.06474	3.4
145.10126	21.7
147.08060	5.1
147.11699	11.4
149.09583	7.1
149.13249	6.2
151.11218	4.2
153.12749	1.4
155.08569	4.6
157.10150	5.8
159.08080	2.2
159.11676	10.7
161.09642	2.9
161.13283	5.9
163.11185	14.0
163.14853	3.0
169.10153	3.0
171.11739	7.3
173.09677	6.8
173.11888	1.9
173.13275	6.5
175.11179	2.4
175.14870	2.5
179.10724	1.6
181.12233	3.0
183.11714	3.6
185.13292	3.9
187.11206	2.0
187.14885	3.6
191.10709	6.5
195.11690	2.3
197.13203	1.9
209.11690	15.9
209.13342	2.1
213.16382	1.8
223.14879	2.1
227.12801	4.4
227.16428	2.5
229.14355	4.9
243.21112	3.7
253.14369	4.0
255.15945	4.0
259.20578	3.1
261.22186	8.7
271.20053	1.5
273.22235	6.5
283.15417	56.7
301.16589	8.1
313.21338	1.3
315.23224	4.4
317.21368	2.8
333.24203	4.1
335.25812	44.7
347.25882	1.7
371.26010	1.5
373.23773	3.1
391.24490	1.8
400.48679	1.5
433.30991	7.7
451.32233	13.8
469.33109	11.9
487.34180	5.0
507.34723	3.4
515.36993	3.3
525.35785	21.0
543.36841	100.0
544.37152	2.8
561.37915	34.3
758.46039	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.01884	10.5
55.05266	2.0
55.05515	26.2
57.03444	21.4
57.07079	2.8
58.16870	1.5
59.04997	2.3
61.02913	5.3
65.03931	5.3
65.15499	1.3
67.05510	86.9
67.65395	1.3
69.03427	2.7
69.07070	24.7
71.01340	3.9
71.04995	5.1
72.83000	1.5
73.02901	2.0
74.09701	4.8
79.05499	60.7
79.05965	3.1
81.03060	1.3
81.03428	14.1
81.07061	75.5
83.01333	2.7
83.04979	21.0
83.08625	13.8
85.02906	11.8
85.06544	3.8
85.92323	1.3
91.03946	1.8
91.05486	43.0
93.07048	75.6
95.04980	14.5
95.08612	55.4
97.02894	13.7
97.06548	9.2
97.10181	7.6
98.20798	4.2
99.04436	3.3
99.08087	1.7
103.05475	1.5
105.04485	1.9
105.07034	27.8
107.04968	16.9
107.08601	41.7
109.06516	6.9
109.10159	27.5
111.04440	14.8
111.08067	6.5
115.05438	2.8
117.07030	20.1
119.08589	28.2
121.06528	5.3
121.09316	2.8
121.10147	32.2
122.66232	1.3
123.08038	7.5
123.11728	7.7
125.09630	5.1
129.06989	4.5
130.07777	2.9
131.04910	1.9
131.08585	24.5
133.10138	19.5
135.08044	4.0
135.11705	32.1
137.09601	3.3
137.13255	1.6
143.08565	4.7
145.06485	2.8
145.10130	34.1
147.08049	4.7
147.11707	10.9
149.09613	5.4
149.13242	4.3
151.11217	2.4
153.12715	12.4
155.08557	5.2
157.10132	3.6
159.11690	9.6
161.09569	2.5
161.13234	7.7
163.11192	32.3
163.14870	3.3
171.11737	2.3
173.09598	7.8
173.11862	1.7
173.13219	6.3
175.11111	1.9
175.14771	2.4
177.12692	2.6
181.12225	6.7
183.11752	1.8
185.13217	1.6
187.14758	3.7
189.11122	1.6
191.10637	12.2
199.11263	1.8
209.11722	29.6
227.12764	17.7
227.16292	1.6
243.21088	4.0
253.14403	3.9
259.20569	3.6
261.22147	14.8
265.14288	2.4
273.22052	2.9
283.12381	3.1
283.15439	50.8
299.23462	2.4
301.16461	58.1
301.21594	2.5
313.21985	1.7
315.23257	3.8
317.21426	1.6
317.24817	6.0
333.24255	2.9
335.25815	100.0
336.26108	2.4
422.33694	1.7
423.32410	2.2
433.30713	6.7
451.32202	7.7
469.33142	7.0
487.34042	2.8
507.34134	2.2
515.37366	3.9
525.35852	16.8
543.36829	93.9
544.36963	4.3
561.37830	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01865	6.9
55.05511	22.8
57.03448	18.1
57.07071	1.9
62.36742	1.7
63.71162	1.3
64.72226	1.5
65.03923	4.2
67.05507	40.2
69.03421	5.8
69.07071	15.5
70.06586	4.4
71.05001	9.8
71.56244	1.6
71.56652	1.7
72.03780	1.4
79.05494	35.3
81.03423	63.8
81.07059	38.8
82.06592	2.6
83.04986	14.5
83.08200	2.0
83.08624	18.1
84.08144	8.6
84.85774	1.3
85.02909	7.4
85.06541	3.3
85.08458	1.7
91.05488	30.2
93.07048	40.9
95.04375	2.1
95.04977	34.2
95.08607	15.7
97.02878	7.9
97.06534	7.5
97.10181	12.4
99.04459	2.9
100.07648	1.5
103.05466	1.7
105.03422	2.0
105.07038	18.8
107.04963	14.9
107.08604	23.5
109.02895	4.4
109.06521	7.5
109.10165	13.3
111.04431	5.8
111.08060	6.1
115.05470	1.9
116.07108	2.0
117.07027	9.5
119.04939	2.0
119.08588	16.5
121.02872	5.0
121.06506	9.0
121.10154	25.7
123.04422	12.1
123.08072	7.9
123.11696	3.7
125.06010	3.6
125.09629	11.5
127.03969	2.0
128.06221	2.7
128.27487	1.5
129.06999	11.4
130.07722	1.6
131.04897	4.3
131.08560	18.4
133.06514	5.4
133.10120	10.7
134.44189	1.5
135.08023	5.6
135.11703	12.4
137.05980	5.1
137.09615	3.6
139.11168	5.6
142.07698	2.0
143.08553	5.9
145.06500	3.7
145.10117	19.1
147.04385	1.8
147.08012	8.0
147.11673	6.9
149.05965	2.9
149.09633	13.8
151.11211	2.2
153.09126	3.2
155.08589	3.6
157.10127	9.3
159.08084	2.7
159.11688	4.2
161.06010	1.9
161.09598	3.1
163.11180	14.0
165.12808	2.0
167.10663	1.7
169.10106	2.6
170.10902	1.6
171.11646	4.2
173.09621	6.6
173.11736	2.9
175.11192	7.5
177.08977	1.5
181.10175	1.5
181.12169	2.5
183.11598	3.8
185.11752	2.8
185.13179	2.1
187.11238	3.1
189.08957	1.8
189.11157	3.4
189.12700	3.7
191.10677	8.6
193.12256	15.0
195.11758	1.8
199.11250	3.6
201.12744	1.9
203.14284	2.5
205.12352	3.2
207.13747	2.3
209.11737	11.0
211.13161	1.7
213.12769	2.0
215.37898	1.6
217.12309	3.2
223.13263	1.8
227.12669	5.9
229.12239	3.1
229.14380	12.1
235.13234	11.9
241.14351	10.1
245.13803	3.3
247.13268	6.9
249.14847	4.2
259.15405	13.4
265.14383	4.0
267.15945	46.6
269.17557	2.5
271.13599	1.8
283.15454	4.9
287.65427	1.5
301.16565	25.9
309.16895	10.6
309.98276	2.0
321.16949	6.5
355.07037	1.8
355.22745	3.2
365.21091	5.1
373.23718	3.7
383.22183	13.1
401.23056	9.7
419.24225	6.5
421.24969	1.6
429.26941	1.8
433.25665	2.0
439.24551	3.5
447.27530	8.1
457.25964	18.5
475.26938	100.0
476.27240	2.0
493.28003	83.5
494.28452	2.9
511.28693	6.6
525.29871	2.6
535.28870	2.5
619.31067	3.5
637.31958	2.5
758.40558	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	758.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.3
55.05510	4.6
67.05496	6.0
69.03424	3.2
69.26530	18.8
70.06622	1.9
74.09702	6.2
79.05494	9.1
81.03415	2.5
81.07048	9.1
82.25820	1.9
83.04958	3.4
85.02899	3.8
87.45716	1.8
91.05464	14.0
93.07048	12.8
94.88544	2.0
95.04982	5.7
95.08615	12.4
97.02901	2.3
101.02388	2.2
103.05472	46.6
104.98489	2.0
105.03406	3.7
105.07046	15.8
107.04957	5.7
107.08598	11.6
109.06536	5.2
111.04405	2.7
115.05482	2.4
117.07018	9.2
119.04968	4.1
119.08591	24.7
121.06475	4.3
121.10144	6.4
123.08073	6.3
124.03960	3.3
128.06235	2.8
129.07019	4.6
130.07727	2.5
131.04939	100.0
131.08574	14.3
133.06490	6.2
133.10165	10.7
135.08075	15.0
141.07013	3.9
142.07785	3.9
143.08539	13.7
145.06480	6.1
145.10124	21.9
147.08043	13.4
149.09683	4.9
155.08551	5.7
156.09320	7.4
157.06555	2.3
157.10146	15.5
158.07280	2.5
159.08076	10.1
159.11676	5.7
161.05980	5.5
161.09676	11.1
163.07492	10.3
163.11157	8.4
165.06898	2.9
169.10083	10.2
170.10880	8.1
171.08075	16.0
171.11720	30.9
173.09615	22.8
173.13229	2.9
175.07553	5.8
175.11159	3.5
177.05490	3.0
177.09137	2.0
179.08496	3.3
181.10181	5.6
183.08095	4.7
183.11732	22.5
185.09604	9.1
185.13292	14.8
186.10431	3.4
187.11206	7.7
189.09200	4.7
192.09520	2.2
193.10188	5.7
195.11736	9.1
196.08884	2.4
197.09575	5.2
197.13255	6.5
198.10406	6.8
199.07501	3.9
199.11197	13.8
200.11932	6.9
201.09190	5.0
201.12779	4.5
203.10614	5.0
205.10425	2.3
205.12238	6.7
206.10924	2.8
207.11705	11.0
209.09627	5.7
209.13295	8.1
211.11185	17.5
211.14577	2.8
213.12747	46.9
215.10664	3.8
217.08513	4.2
217.12117	2.6
219.11816	4.5
220.12447	4.7
221.13278	8.5
223.11209	5.8
223.14848	5.0
224.11969	2.3
225.12769	6.0
227.10866	2.9
229.12271	2.6
231.11736	5.9
231.13782	3.5
232.12488	5.2
233.13365	4.7
234.14143	4.9
235.11328	4.3
235.14771	7.6
236.15619	2.5
237.12787	3.9
237.16478	3.2
239.14394	4.0
241.12270	6.5
243.13799	3.7
244.12445	3.6
245.07974	4.8
245.13231	5.9
245.15445	5.8
246.14035	4.9
247.11194	4.5
247.14847	7.4
248.12122	2.7
248.15508	3.1
249.12846	6.4
249.16415	10.6
251.14217	5.7
251.18051	3.8
257.13400	3.1
258.13971	3.6
259.14835	6.2
260.11856	3.9
261.12811	5.9
261.16351	4.6
262.13229	3.1
263.14258	10.5
263.17770	2.1
265.12354	2.6
265.15912	3.9
267.17471	4.0
271.13333	2.8
272.15381	2.8
273.12375	2.8
273.14774	12.7
275.14322	6.1
275.18002	3.2
276.15082	3.2
277.12399	3.3
277.15866	11.5
279.13925	2.3
279.17377	5.5
281.15948	2.1
285.16409	2.4
287.14182	3.0
288.14716	2.7
289.15836	8.1
291.14041	4.3
291.17435	9.3
293.18936	3.2
295.16919	6.3
299.14288	4.4
301.15952	4.7
303.14056	2.3
303.17349	5.8
305.15231	3.7
307.16949	8.7
309.18518	5.9
310.54947	2.2
313.15585	3.4
315.17160	2.2
317.15417	7.1
319.16943	8.4
321.18555	4.3
323.20135	2.3
331.16898	7.0
337.18045	9.5
343.16843	2.6
345.18304	3.4
349.17957	6.1
351.19562	6.6
359.16284	4.8
361.18433	2.3
363.19492	7.4
365.16922	2.2
367.19061	3.8
369.20602	14.6
373.17917	9.0
377.17465	8.9
381.20889	2.8
391.19003	14.6
395.18423	6.9
401.17499	7.2
405.20587	2.8
409.20013	12.4
411.21790	17.4
415.19785	2.2
419.18420	12.7
423.21750	2.9
433.20178	8.8
437.19495	9.5
439.20712	5.1
441.22681	5.5
451.21249	24.7
465.22879	8.8
469.22192	49.1
476.23657	2.6
483.23737	9.3
487.23337	4.1
493.21915	4.0
501.24924	58.5
501.32248	3.7
511.23108	7.6
525.24518	3.5
529.24414	54.9
530.24017	3.3
543.25830	12.5
561.26984	99.6
562.27509	5.1
709.31683	4.2
714.45398	2.3
758.33801	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	758.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.3
55.05510	4.6
67.05496	6.0
69.03424	3.2
69.26530	18.8
70.06622	1.9
74.09702	6.2
79.05494	9.1
81.03415	2.5
81.07048	9.1
82.25820	1.9
83.04958	3.4
85.02899	3.8
87.45716	1.8
91.05464	14.0
93.07048	12.8
94.88544	2.0
95.04982	5.7
95.08615	12.4
97.02901	2.3
101.02388	2.2
103.05472	46.6
104.98489	2.0
105.03406	3.7
105.07046	15.8
107.04957	5.7
107.08598	11.6
109.06536	5.2
111.04405	2.7
115.05482	2.4
117.07018	9.2
119.04968	4.1
119.08591	24.7
121.06475	4.3
121.10144	6.4
123.08073	6.3
124.03960	3.3
128.06235	2.8
129.07019	4.6
130.07727	2.5
131.04939	100.0
131.08574	14.3
133.06490	6.2
133.10165	10.7
135.08075	15.0
141.07013	3.9
142.07785	3.9
143.08539	13.7
145.06480	6.1
145.10124	21.9
147.08043	13.4
149.09683	4.9
155.08551	5.7
156.09320	7.4
157.06555	2.3
157.10146	15.5
158.07280	2.5
159.08076	10.1
159.11676	5.7
161.05980	5.5
161.09676	11.1
163.07492	10.3
163.11157	8.4
165.06898	2.9
169.10083	10.2
170.10880	8.1
171.08075	16.0
171.11720	30.9
173.09615	22.8
173.13229	2.9
175.07553	5.8
175.11159	3.5
177.05490	3.0
177.09137	2.0
179.08496	3.3
181.10181	5.6
183.08095	4.7
183.11732	22.5
185.09604	9.1
185.13292	14.8
186.10431	3.4
187.11206	7.7
189.09200	4.7
192.09520	2.2
193.10188	5.7
195.11736	9.1
196.08884	2.4
197.09575	5.2
197.13255	6.5
198.10406	6.8
199.07501	3.9
199.11197	13.8
200.11932	6.9
201.09190	5.0
201.12779	4.5
203.10614	5.0
205.10425	2.3
205.12238	6.7
206.10924	2.8
207.11705	11.0
209.09627	5.7
209.13295	8.1
211.11185	17.5
211.14577	2.8
213.12747	46.9
215.10664	3.8
217.08513	4.2
217.12117	2.6
219.11816	4.5
220.12447	4.7
221.13278	8.5
223.11209	5.8
223.14848	5.0
224.11969	2.3
225.12769	6.0
227.10866	2.9
229.12271	2.6
231.11736	5.9
231.13782	3.5
232.12488	5.2
233.13365	4.7
234.14143	4.9
235.11328	4.3
235.14771	7.6
236.15619	2.5
237.12787	3.9
237.16478	3.2
239.14394	4.0
241.12270	6.5
243.13799	3.7
244.12445	3.6
245.07974	4.8
245.13231	5.9
245.15445	5.8
246.14035	4.9
247.11194	4.5
247.14847	7.4
248.12122	2.7
248.15508	3.1
249.12846	6.4
249.16415	10.6
251.14217	5.7
251.18051	3.8
257.13400	3.1
258.13971	3.6
259.14835	6.2
260.11856	3.9
261.12811	5.9
261.16351	4.6
262.13229	3.1
263.14258	10.5
263.17770	2.1
265.12354	2.6
265.15912	3.9
267.17471	4.0
271.13333	2.8
272.15381	2.8
273.12375	2.8
273.14774	12.7
275.14322	6.1
275.18002	3.2
276.15082	3.2
277.12399	3.3
277.15866	11.5
279.13925	2.3
279.17377	5.5
281.15948	2.1
285.16409	2.4
287.14182	3.0
288.14716	2.7
289.15836	8.1
291.14041	4.3
291.17435	9.3
293.18936	3.2
295.16919	6.3
299.14288	4.4
301.15952	4.7
303.14056	2.3
303.17349	5.8
305.15231	3.7
307.16949	8.7
309.18518	5.9
310.54947	2.2
313.15585	3.4
315.17160	2.2
317.15417	7.1
319.16943	8.4
321.18555	4.3
323.20135	2.3
331.16898	7.0
337.18045	9.5
343.16843	2.6
345.18304	3.4
349.17957	6.1
351.19562	6.6
359.16284	4.8
361.18433	2.3
363.19492	7.4
365.16922	2.2
367.19061	3.8
369.20602	14.6
373.17917	9.0
377.17465	8.9
381.20889	2.8
391.19003	14.6
395.18423	6.9
401.17499	7.2
405.20587	2.8
409.20013	12.4
411.21790	17.4
415.19785	2.2
419.18420	12.7
423.21750	2.9
433.20178	8.8
437.19495	9.5
439.20712	5.1
441.22681	5.5
451.21249	24.7
465.22879	8.8
469.22192	49.1
476.23657	2.6
483.23737	9.3
487.23337	4.1
493.21915	4.0
501.24924	58.5
501.32248	3.7
511.23108	7.6
525.24518	3.5
529.24414	54.9
530.24017	3.3
543.25830	12.5
561.26984	99.6
562.27509	5.1
709.31683	4.2
714.45398	2.3
758.33801	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	758.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.5
54.07346	3.5
55.01881	5.6
55.05502	4.3
67.05503	12.5
69.03433	4.6
69.73775	12.7
69.74192	5.1
70.33959	2.8
77.03954	4.5
79.05488	13.8
81.07051	12.1
83.04984	4.8
85.02914	4.0
87.53174	3.0
91.05479	18.9
93.07043	16.5
95.04973	9.4
95.08621	27.8
97.06523	3.2
100.07636	3.0
103.05479	42.8
105.03383	13.8
105.04501	4.8
105.07038	20.3
107.04974	4.3
107.08611	16.4
109.06500	7.2
117.07003	7.2
119.04987	6.9
119.08588	27.1
121.06493	7.4
121.10161	6.9
123.08099	8.8
128.06168	3.4
129.07039	5.2
131.04939	100.0
131.08572	15.6
132.05312	3.9
133.06494	7.4
133.10118	16.1
135.08052	10.7
137.06035	3.6
142.07813	4.2
143.08565	13.3
145.06496	7.0
145.10172	19.8
147.08070	17.9
149.05923	4.7
149.09596	8.9
151.07510	3.5
155.08492	7.4
156.09360	10.3
157.10139	22.2
159.08078	9.8
159.11707	6.4
161.05998	5.8
161.09650	5.1
163.07521	6.4
163.11177	10.2
165.06995	4.1
165.09126	3.3
166.57410	3.1
169.10126	12.5
170.10927	9.1
171.08054	12.8
171.11710	57.3
172.08788	4.3
173.09642	20.1
173.13235	7.2
175.07587	5.5
175.11218	4.7
180.09259	4.8
183.08150	6.0
183.11729	38.4
185.09630	10.2
185.13271	33.9
187.11179	6.6
189.09099	4.4
193.08487	3.9
193.10071	7.9
195.11711	14.3
197.09673	14.0
197.13278	7.7
198.10432	5.2
199.07587	4.6
199.11198	17.3
200.11949	4.9
201.09146	4.1
201.12813	6.1
205.12236	8.5
205.75508	3.5
206.10971	4.1
207.11603	7.1
209.13258	7.0
211.11148	23.3
213.12737	46.0
215.10695	4.9
215.14265	4.3
217.12161	3.8
219.11903	5.9
220.12491	6.2
221.13286	11.6
223.11160	9.0
223.14792	5.9
225.12827	3.6
229.12286	5.3
230.11093	4.1
231.11769	6.1
231.13741	4.9
233.13443	6.4
234.14035	9.1
235.14871	8.1
237.12761	9.7
237.16389	7.5
238.13486	3.5
241.12282	6.5
243.13861	8.6
245.13284	5.8
245.15425	14.3
246.14012	7.1
247.11157	4.4
247.14865	4.2
248.15561	4.1
249.12817	8.5
249.16402	16.3
251.14322	4.1
251.18039	3.9
255.11380	4.1
255.13953	5.0
259.14883	12.6
261.16437	13.4
263.14066	5.8
263.18109	5.2
265.15973	3.8
273.12390	3.7
273.14569	16.4
275.14484	6.5
275.17972	7.8
276.15036	4.5
277.15851	13.5
279.17490	6.1
287.14270	8.4
288.15118	4.3
289.15875	10.2
291.17291	7.2
293.18988	4.0
295.16965	6.5
301.15802	5.2
303.17429	5.2
307.16788	8.1
309.18707	4.8
315.17184	3.6
317.15326	6.5
319.16730	7.4
321.18610	7.6
323.20090	5.6
331.16876	14.1
335.20050	4.3
337.17953	5.2
345.18390	4.4
349.18021	4.5
351.19302	8.3
353.21030	7.2
359.16309	3.9
363.19623	8.4
367.19031	3.7
369.20602	5.4
377.17508	6.4
379.18826	4.8
381.20734	9.4
391.18878	18.0
395.18295	5.8
405.20490	6.4
409.20087	24.9
411.21619	54.4
413.23206	5.2
419.18573	6.0
423.21616	10.1
433.20090	10.4
437.24185	7.0
439.20459	4.1
441.22781	4.8
451.21198	29.1
465.22510	6.6
469.22226	54.5
483.23816	9.9
487.23108	7.7
493.21857	6.6
495.23495	4.0
501.24667	26.5
511.23157	11.7
525.25153	3.8
529.24396	40.0
543.25903	25.1
555.25824	9.2
561.26959	24.8
587.28534	22.1
599.25897	4.0
617.27429	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	758.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.5
53.21806	4.0
55.01866	7.4
55.05513	66.6
56.05029	6.9
57.03423	14.1
59.05000	7.9
65.03955	4.8
65.52655	3.9
67.05185	5.0
67.05511	54.4
68.05038	26.1
68.87971	4.4
69.03421	12.8
69.07063	8.2
71.01406	3.9
71.04997	7.4
71.56178	5.2
74.09712	7.7
79.05499	41.1
80.05000	8.7
81.03422	53.3
81.07068	44.2
82.02929	13.1
83.01340	8.0
83.04989	68.4
83.08624	19.3
84.04517	36.1
85.02895	23.1
86.09698	11.8
87.04472	13.9
91.05482	51.4
92.05850	5.0
93.07031	35.7
94.06572	6.7
95.04973	39.8
95.08607	17.5
96.04485	8.7
97.02864	11.5
97.06516	5.3
97.10165	14.7
98.06062	5.4
103.05484	6.5
104.07094	6.9
105.07029	51.0
107.04952	13.6
107.08591	22.8
109.02846	6.0
109.06512	14.3
109.10150	29.8
111.04424	6.5
111.08088	11.8
114.05524	38.8
115.05457	15.6
117.07027	83.4
119.08588	71.8
120.04477	15.3
121.06509	14.1
121.10159	16.1
122.05990	6.9
123.08075	9.2
125.00035	9.3
125.09632	13.1
128.06210	9.2
129.07021	37.7
130.05011	7.9
130.06549	4.2
131.08589	41.8
133.06482	16.4
133.10179	29.1
135.08054	12.0
135.11691	11.3
137.05998	6.6
138.05522	9.6
141.06969	12.7
142.04997	19.5
142.07750	13.9
143.04947	6.0
143.08543	38.5
144.08069	6.4
145.06503	21.9
145.10133	35.1
146.09641	6.4
147.08058	18.2
147.11671	13.3
148.03899	8.2
148.07605	6.7
149.09636	32.3
151.07574	6.0
153.06947	5.2
153.09238	5.6
153.12700	6.5
154.07693	4.3
155.08577	20.8
156.09338	14.9
157.06471	8.8
157.08917	8.9
157.10126	69.1
159.08078	32.0
159.11693	68.2
160.07578	9.5
161.05960	5.7
161.09628	15.7
162.09209	22.8
163.11209	14.5
165.09103	6.2
166.05000	29.3
167.07187	6.0
167.08534	21.2
168.09349	7.8
169.10121	42.2
170.09631	9.8
170.10933	11.2
171.08078	13.6
171.11697	61.8
172.08890	4.9
172.11229	17.2
173.09607	30.5
173.11848	10.4
173.13214	23.9
174.09142	5.4
175.11191	13.4
177.09251	7.1
179.08623	8.8
181.10101	12.4
182.10965	5.7
183.08080	10.4
183.11702	100.0
184.07358	55.9
184.08826	8.5
185.09644	15.1
185.13254	26.5
187.11237	30.3
188.07004	7.0
188.10695	7.2
189.11243	7.7
189.12743	4.9
191.07111	4.3
191.10707	5.2
193.10196	15.4
193.12239	31.8
195.11751	13.4
196.08759	4.9
197.09575	16.7
198.09177	14.6
199.11189	16.2
200.10707	78.2
201.12740	33.3
203.10669	4.7
205.10150	6.4
207.11681	20.1
208.12498	6.0
209.09639	10.9
209.11568	6.8
209.13399	9.0
211.11166	23.6
211.13312	26.6
212.10738	19.3
213.09186	6.3
213.12793	12.3
214.12320	12.0
215.08727	6.6
215.10701	6.5
216.10178	8.1
217.10165	13.2
219.11777	12.0
220.12550	6.0
221.13274	20.9
223.11188	10.1
226.08687	12.6
226.12280	8.8
227.12752	14.8
228.10257	30.0
229.10249	7.8
229.12198	34.3
229.14410	25.6
231.11668	18.4
231.13771	15.2
232.12466	18.6
233.09514	5.4
233.13264	13.0
233.15453	19.7
237.16376	5.7
238.12230	6.9
240.10213	7.7
243.11639	7.5
243.13814	20.1
244.09645	15.4
244.12198	6.6
245.13396	11.6
246.11287	76.8
246.13878	6.5
247.11172	9.0
247.15094	39.7
248.15575	6.5
249.12766	8.4
250.12144	5.6
252.14153	5.8
254.11700	9.5
255.11723	10.1
257.13553	11.0
258.11191	15.0
258.13971	8.0
259.14999	7.8
260.12686	10.0
261.14688	9.2
261.16788	8.6
262.10620	10.1
263.14337	8.6
267.15985	29.0
269.13263	11.8
270.11252	5.8
270.13937	10.6
271.15060	7.0
272.09229	10.5
272.12613	9.0
272.15491	5.6
273.12720	8.5
273.16312	9.6
274.10742	26.8
274.13461	8.0
275.14236	13.1
280.12903	5.5
283.15186	16.7
284.15558	5.6
285.16373	14.8
285.40894	5.8
287.14328	10.5
287.17743	4.7
289.16202	21.5
290.10074	13.0
290.16519	6.7
291.17184	5.6
292.11819	86.0
296.12866	7.5
297.12833	5.9
298.13678	5.7
299.17789	10.1
300.12198	8.2
301.16171	5.8
302.10278	5.7
304.11716	12.2
307.16742	5.5
309.16376	8.9
312.15308	5.7
313.15817	8.7
318.09708	11.3
318.13174	9.5
320.11285	10.9
321.18445	5.7
327.17395	21.8
337.15625	7.6
342.13144	6.0
355.16791	7.3
355.22754	8.3
365.21011	5.4
368.20020	11.3
373.23846	7.1
374.17337	5.1
382.21808	7.0
383.22229	12.4
396.19394	6.6
401.23227	21.9
410.21069	17.2
414.20590	18.7
419.24194	5.9
421.25879	20.2
424.18716	6.4
428.22037	18.7
438.20465	15.5
442.19916	13.2
446.23346	7.8
449.21912	9.5
456.21704	46.9
458.23651	6.9
460.21283	18.6
462.22726	7.9
470.23383	6.6
473.22342	5.6
474.22928	33.4
475.26718	14.4
484.21243	41.0
488.24045	19.8
492.23621	8.4
493.28009	19.0
502.22318	90.0
504.24020	8.9
506.25168	14.6
507.29965	6.0
511.28412	8.9
512.20978	9.3
516.24115	23.0
520.23431	45.3
530.21631	33.8
534.17352	7.8
534.24896	62.3
536.23981	5.0
538.24249	5.9
544.23126	15.0
548.22784	52.8
552.25940	36.3
562.24506	39.5
566.23511	13.0
570.26880	22.2
580.25391	59.9
598.26489	40.4
604.32574	5.6
608.25201	10.0
626.25757	9.0
648.27606	9.8
698.30835	13.1
708.37976	9.1
726.30737	20.2
740.32532	10.1
758.33496	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	757.2185
Annotation	Quercetin-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03919	0.3
55.01848	0.3
55.05496	0.2
57.03435	1.6
61.02895	0.5
63.89591	0.1
65.03939	0.2
68.99773	0.2
69.03426	1.1
69.38769	1.2
70.06554	0.2
71.04997	9.7
71.05363	0.3
73.02872	0.2
75.04449	0.6
81.03377	0.6
83.04980	0.7
85.02908	13.4
87.04435	0.4
93.03393	0.2
97.02895	1.1
99.04422	0.4
107.04974	0.2
109.02845	0.6
111.00777	0.5
111.04426	0.4
121.02895	0.7
123.04333	0.1
127.03906	0.7
129.05484	3.3
137.02332	2.0
145.04924	0.5
147.06534	1.2
149.02403	0.2
153.00702	0.2
153.01819	1.9
163.03882	0.3
165.01836	1.6
173.05962	0.2
177.05469	0.2
183.02884	0.5
183.04303	0.2
187.03883	0.2
191.03355	0.1
201.05452	1.0
201.07152	0.2
219.06439	0.2
229.04973	2.3
247.06094	0.7
257.04459	2.0
274.04657	0.5
285.04031	1.0
287.05521	1.2
303.04993	100.0
304.05334	1.7
314.65872	0.1
345.05859	0.2
429.07916	0.1
449.10812	20.6
450.11261	0.5
465.10446	0.4
465.18024	0.2
482.48944	0.2
611.15625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	2.5
53.03944	3.3
55.01873	3.5
55.05275	1.3
55.05517	15.5
57.03444	11.9
57.07069	1.7
59.05003	1.4
61.02921	2.5
65.03934	2.3
67.05509	43.5
69.03429	3.4
69.07070	9.0
71.04999	2.9
71.55199	1.5
72.08144	1.8
73.02902	1.6
74.86329	0.8
77.03909	0.9
79.05500	28.5
81.03404	4.6
81.07066	41.5
83.04987	3.4
83.08630	10.7
85.02922	4.2
85.06541	3.1
91.03960	2.1
91.04907	1.3
91.05482	25.0
93.06472	1.8
93.07053	35.9
95.04967	4.4
95.08617	27.6
97.02903	4.7
97.06526	4.4
97.10180	3.2
99.00826	10.7
99.08083	2.1
103.05463	0.9
105.04539	0.8
105.06384	1.6
105.07041	19.8
105.07758	1.0
107.04990	4.3
107.08603	23.1
109.02882	7.2
109.06516	3.6
109.10166	22.2
109.10915	0.9
111.04433	1.5
111.08095	3.1
113.05971	1.1
115.03937	2.3
117.07001	7.1
119.08578	15.9
121.06504	4.3
121.10165	13.4
123.04421	1.8
123.08092	1.0
123.11735	6.3
125.09612	1.5
127.03918	1.5
128.06250	2.1
131.08588	6.4
133.06487	1.8
133.10146	39.9
135.08073	1.9
135.11697	9.6
137.09589	2.0
137.13194	1.3
139.07547	2.1
143.08569	4.2
145.10144	4.7
147.11688	5.0
149.13280	5.0
151.11192	13.7
159.11696	4.4
161.09633	12.6
161.13271	3.4
163.14838	2.4
169.12274	1.5
171.08070	2.9
171.11652	1.1
173.13284	4.3
175.14851	1.0
177.16470	1.3
179.10667	8.6
182.77863	0.9
187.14885	1.6
189.09091	6.8
197.11711	2.0
207.10173	2.9
215.12799	1.3
225.11259	10.7
227.12755	1.1
243.12221	4.0
243.21156	5.1
253.14494	1.1
259.20505	1.2
261.22177	19.6
279.23032	1.0
281.13928	3.4
299.14914	100.0
300.15256	2.5
315.23175	2.4
317.24716	3.4
333.24234	1.1
333.94000	1.0
335.25827	78.2
336.26111	3.4
369.36212	0.9
449.30429	1.6
467.31622	3.1
485.32431	3.0
513.35577	2.6
515.37244	1.3
531.36774	1.6
541.35175	7.2
559.36346	38.4
560.36328	2.4
577.37189	2.8
578.59393	0.9
756.46692	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	2.6
53.03940	4.0
55.01871	4.3
55.05268	1.3
55.05517	17.0
57.03441	12.4
57.07064	1.3
59.04995	2.4
61.02932	4.4
63.02681	0.6
65.03936	2.5
67.05509	50.9
69.03435	1.9
69.06738	0.7
69.07076	10.5
69.43222	3.6
71.01367	1.2
71.04987	3.1
72.05109	0.7
72.08152	2.2
73.02914	1.8
79.05498	33.1
81.03421	6.5
81.07063	51.0
83.04990	3.8
83.08624	13.0
85.02905	4.4
85.06541	3.1
91.03947	2.1
91.05488	30.3
91.42830	0.7
93.07050	42.2
95.04983	6.0
95.08614	33.5
97.02924	5.4
97.06516	4.4
97.10181	2.6
99.00822	12.6
99.04479	1.3
99.08113	0.7
103.05455	1.2
103.79751	0.7
105.04553	0.8
105.07039	22.8
107.04971	6.1
107.08601	24.1
109.02874	11.5
109.06539	3.9
109.10162	18.3
111.04447	1.1
111.08102	4.8
113.06010	0.8
115.03944	1.9
115.05405	0.8
117.07032	7.1
119.04924	1.0
119.08594	15.4
121.06540	4.8
121.10157	14.2
123.04466	1.1
123.08046	2.0
123.11719	7.1
125.09625	1.7
127.03935	1.7
128.06253	1.1
129.07005	1.7
131.08574	10.3
133.06506	1.3
133.10144	37.9
135.08060	1.0
135.11707	10.3
137.05994	1.3
137.09625	1.8
137.13275	1.2
139.07516	2.1
143.08588	5.6
145.06422	0.8
145.10129	6.0
147.04381	1.4
147.08023	1.3
147.11711	5.6
149.09628	1.1
149.13280	6.0
151.11200	11.3
153.06989	0.7
153.12743	0.7
159.11728	4.7
161.09633	15.0
161.13188	3.6
163.14815	3.3
169.12195	0.9
171.08049	4.1
173.13298	5.5
175.14806	1.4
177.16464	0.9
179.10680	7.1
185.13184	0.8
187.14835	2.6
189.09105	6.7
197.11713	3.1
201.16505	1.2
207.10179	2.4
215.17952	0.7
225.11256	12.4
227.12837	0.9
233.22711	0.8
243.12288	2.6
243.21127	5.7
261.22168	18.9
278.88080	0.7
279.23221	0.8
281.13846	5.6
299.14902	90.4
300.15231	1.3
315.23172	2.1
317.24796	2.8
335.25812	100.0
336.26285	3.3
343.12811	0.8
407.86148	0.8
421.30545	0.8
434.58765	0.8
449.30365	1.0
467.31799	3.8
479.29883	2.9
485.32535	2.6
513.35828	2.7
515.37012	1.2
531.36823	1.3
541.35376	11.7
559.36334	53.0
560.36511	1.9
577.37146	2.6
638.91925	0.7
691.81042	0.8
756.43604	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03865	1.4
54.96049	0.6
55.01762	2.0
55.02053	1.3
55.05400	7.9
55.05704	3.2
55.07707	0.6
57.03324	4.2
57.03633	1.5
60.41584	0.6
65.03850	1.1
67.05379	10.2
67.05775	2.6
69.03310	2.2
69.06942	2.7
70.24127	1.4
70.24522	1.1
71.04871	2.4
79.05362	12.9
79.05872	2.2
81.03285	30.8
81.03816	5.2
81.04088	1.2
81.06918	11.8
81.07446	2.0
83.04841	3.4
83.05354	1.2
83.06470	0.6
83.08479	8.9
83.09030	1.5
85.06451	1.1
91.05341	10.1
91.05955	1.0
93.06899	9.4
93.07536	1.5
94.56790	0.6
95.04819	14.8
95.05470	1.9
95.08452	5.4
97.02818	0.6
97.06371	2.2
97.10020	10.2
97.10704	1.2
98.20908	0.8
103.05292	0.8
105.06876	7.5
106.99439	0.6
107.04798	10.5
107.08439	6.8
107.09212	1.3
109.06358	6.3
109.09996	4.0
111.04309	1.0
111.07915	3.4
115.05351	0.6
117.06844	3.7
119.08414	6.4
121.06348	7.8
121.09975	5.9
123.04284	0.7
123.07906	2.9
123.11586	0.7
125.09467	9.7
125.10445	0.8
129.06998	4.8
131.04834	1.3
131.08394	7.2
133.06316	2.0
133.10109	3.6
135.07878	3.5
135.11549	1.4
137.05914	0.7
137.09465	1.0
139.11041	0.9
139.35437	0.6
142.07668	0.7
143.08405	1.6
143.10587	0.6
145.06482	5.3
145.10141	3.2
147.04262	1.3
147.08038	4.1
147.11514	5.8
149.09618	3.9
153.08914	1.6
153.12663	0.9
155.08449	1.3
157.06372	0.7
157.10139	6.7
157.16733	0.7
159.07935	1.4
159.11588	1.6
161.05785	0.6
161.09445	1.7
163.10989	2.4
165.08994	0.7
165.12613	1.2
167.08449	0.8
167.10594	0.9
169.10011	1.5
171.07916	2.0
171.09979	1.7
171.11586	1.5
173.09518	1.4
173.13116	1.5
175.07306	0.6
175.11183	5.2
177.12656	1.2
181.10052	0.7
183.11597	1.0
185.09421	1.4
185.13155	1.3
187.11203	0.8
187.14696	1.0
189.11234	5.2
189.12654	1.3
193.12233	12.5
195.07971	0.8
197.09521	1.3
197.13206	1.0
199.11017	1.7
199.13138	1.1
205.12138	1.3
211.11055	0.8
211.13118	0.9
213.12553	2.2
215.14133	1.5
217.12141	1.0
219.13799	3.0
223.11008	0.8
223.13116	1.2
225.12714	0.7
227.12573	1.8
229.15820	0.7
231.13681	1.4
233.15321	3.7
235.13121	1.1
237.12592	1.2
239.14240	0.9
241.14209	0.7
245.15233	0.9
249.14799	1.2
255.13728	1.6
259.13147	1.1
261.14795	0.9
264.07962	0.6
267.15936	34.0
273.14792	5.7
275.16412	0.9
281.15329	0.8
293.17499	1.1
321.21982	0.9
339.23083	2.2
349.21713	4.3
357.24063	1.9
367.18353	1.0
367.22708	13.2
368.22763	0.7
385.23782	18.6
402.11896	0.6
403.24792	5.9
405.23904	0.9
413.27042	0.7
423.25027	0.9
441.26312	10.0
459.27432	100.0
460.27686	2.4
477.28506	90.4
478.28961	2.3
491.30038	12.4
501.28659	2.3
509.31116	7.4
541.34210	1.5
555.30365	0.9
567.29700	1.8
618.88202	0.7
629.97821	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.6
55.01884	1.5
55.05508	1.9
61.90364	1.1
67.05508	4.5
69.03458	1.1
70.79733	1.5
70.80086	2.4
79.05492	5.9
81.03390	1.7
81.07053	4.2
83.04990	2.6
91.05471	8.4
93.07049	8.9
95.04966	4.5
95.08605	4.9
97.06574	1.6
103.04790	2.6
103.05468	41.9
105.03387	17.5
105.04491	2.5
105.07043	12.2
107.04973	1.6
107.08599	6.9
109.06488	2.0
117.07034	4.4
119.08595	10.8
121.06554	2.3
121.10140	4.6
123.08055	3.0
129.07018	2.6
131.04929	100.0
131.08559	5.4
133.06485	2.9
133.10121	13.9
135.08058	3.4
142.07799	3.9
143.08571	6.7
145.06448	3.4
145.10107	4.4
147.08080	6.9
149.09613	7.6
155.08569	4.0
156.09354	4.2
157.10152	12.4
159.08043	5.0
159.11746	3.9
161.05966	1.8
161.09639	4.5
163.07500	1.5
163.11214	4.3
165.07066	2.0
167.08640	1.4
169.10106	8.1
170.10948	3.2
171.08069	2.6
171.11674	17.2
173.09615	4.8
175.07579	3.5
175.11200	2.2
181.10138	2.0
183.11684	13.9
185.09641	5.3
185.13228	11.1
187.11182	4.0
193.10191	2.5
195.11717	3.0
196.12447	1.8
197.09639	2.9
197.13345	3.4
199.11201	5.5
201.12936	2.4
203.10670	1.9
205.08611	1.5
205.12236	2.1
207.11665	4.0
209.13258	3.5
211.11215	4.0
213.09209	1.6
213.12749	10.5
217.10133	2.4
219.11748	2.1
220.12468	1.7
221.13275	5.0
223.11160	2.2
223.14799	1.9
227.10811	1.4
229.10214	1.7
229.12254	4.2
229.14386	1.5
230.10988	2.4
231.11765	2.6
231.13745	3.1
232.12596	1.8
233.13237	3.9
233.15388	2.0
234.13934	2.6
235.14856	4.2
237.12697	2.2
241.12306	3.3
243.11702	2.5
243.13896	4.3
244.12411	2.4
245.13231	4.1
245.15469	7.2
246.13979	1.8
247.15051	6.0
248.15459	1.9
249.12814	2.7
249.16393	4.2
255.13774	2.2
256.12573	1.8
257.13208	2.7
258.14108	3.0
259.14801	5.4
260.11938	1.4
260.15591	2.6
261.12625	1.7
261.16464	2.3
269.13190	1.5
270.13879	1.7
271.15118	2.5
273.14990	5.1
275.14212	4.2
277.15939	3.6
285.12802	1.7
285.16379	3.1
287.14377	1.8
288.15091	1.4
289.15720	2.8
291.17465	1.3
300.15283	1.9
301.15848	3.1
303.17383	4.2
305.19040	2.9
307.16815	1.8
315.17358	4.4
317.15567	1.6
317.19000	1.8
319.16949	1.8
321.18329	2.4
329.15298	1.8
329.19022	3.7
331.16922	1.7
333.18414	4.1
337.17966	2.9
339.34860	1.3
345.18472	3.0
347.16357	4.0
347.20163	2.7
349.18039	4.1
351.19547	3.7
355.16708	1.6
359.16577	6.7
361.17993	3.0
363.19638	2.9
367.19031	2.4
373.17957	7.1
375.19403	2.8
377.17255	7.1
379.22769	1.8
389.21320	2.5
391.19107	10.2
393.20679	2.0
395.18530	3.2
401.17111	3.3
405.20325	1.3
407.22302	3.3
409.19962	5.5
419.18484	10.3
421.19968	4.5
423.21576	10.4
433.20099	11.4
437.19394	4.0
439.20737	1.6
441.22650	3.4
451.21277	17.5
469.22269	13.5
538.94537	1.3
591.25897	4.5
617.27356	2.4
739.31354	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.05516	23.9
57.03443	7.9
65.03926	6.0
67.05170	6.9
67.05506	80.1
69.07069	31.6
71.56882	5.1
74.00997	4.4
79.05497	60.6
81.07056	77.8
83.04981	6.1
83.08608	25.7
91.05496	43.4
93.07053	69.5
95.04956	4.7
95.08612	55.5
97.06551	7.0
97.10181	6.6
105.07050	27.1
107.08601	39.0
109.10172	20.5
117.07008	8.9
119.08612	25.5
121.10147	68.5
123.08105	5.8
123.11668	5.1
129.07034	5.8
131.08575	19.5
133.10121	20.4
135.08035	6.0
135.11685	40.9
137.09569	6.2
143.08549	5.1
145.10147	15.2
147.11664	20.7
149.13220	10.1
159.11705	12.2
161.13280	12.8
165.12758	6.8
173.13203	7.0
177.12724	5.2
186.31532	4.5
241.19460	8.5
257.18823	6.0
259.20667	20.1
265.09216	4.5
275.20050	7.7
277.21515	43.5
283.26343	7.4
284.44333	4.5
300.49045	4.7
315.23563	4.5
333.24332	10.8
349.23926	11.8
351.25272	100.0
353.26746	15.9
369.26382	13.1
424.76337	4.4
425.28790	8.3
443.30109	32.5
596.73523	4.5
626.94598	4.6
645.47247	11.0
701.49823	18.7
719.50916	40.9
753.03735	4.4
783.54541	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	754.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01867	1.4
55.05519	1.4
67.05504	3.6
69.07078	2.1
69.23630	2.5
69.24051	5.2
77.03925	1.1
79.05510	6.5
81.03424	2.4
81.07065	9.6
83.04969	0.8
91.05484	8.0
93.07056	7.2
95.04956	4.2
95.08592	6.2
97.06529	1.2
98.20724	2.1
103.05474	47.2
105.07024	9.2
107.04974	2.7
107.08625	5.3
109.06529	2.8
109.10134	1.4
115.05425	1.3
116.07107	1.1
116.17793	0.8
117.07038	4.6
119.04908	1.1
119.08579	10.0
121.06512	1.9
121.10135	4.3
123.07057	0.8
123.08054	1.6
128.06209	2.7
129.06996	3.0
131.04933	100.0
131.08592	7.3
132.05243	2.0
133.06479	2.2
133.10132	13.0
135.08054	2.5
141.07005	1.6
142.07788	4.3
143.08575	6.4
145.06483	2.9
145.10112	8.6
147.08055	3.6
147.11650	2.0
147.89435	0.8
149.09628	3.6
153.06981	1.2
155.08557	4.2
156.09354	4.4
157.10123	11.6
159.08069	3.4
159.11700	4.5
161.05975	1.5
161.09592	4.6
163.07526	2.1
165.06940	1.9
167.08546	2.6
169.10124	7.0
170.10873	1.1
171.08054	4.5
171.11697	10.6
172.12466	1.1
173.09586	4.3
173.13295	2.0
175.07657	1.2
175.11163	1.1
179.08548	2.1
180.09306	1.7
181.06474	1.0
181.10150	3.5
182.10934	2.2
183.11696	9.6
184.08875	1.0
185.09677	4.3
185.13211	4.8
187.07538	1.7
187.11165	2.8
187.14822	1.7
189.09128	1.5
189.12827	1.0
192.09346	2.1
193.10149	3.4
194.11024	2.2
195.11772	7.0
197.09662	2.4
197.13260	5.8
198.10435	1.6
199.11177	6.7
200.12106	2.1
201.09174	1.3
201.12798	2.3
205.10225	1.5
206.10950	2.6
207.11717	6.3
208.12534	1.0
209.09732	1.5
209.13264	5.3
211.11256	3.2
211.14801	0.9
213.12764	6.6
215.14330	3.7
217.10239	2.1
217.12337	1.8
218.10944	1.7
219.11739	2.5
220.12511	2.6
221.13249	4.2
222.10515	1.1
222.14093	1.2
223.11169	1.7
223.14804	2.2
225.12692	4.7
228.09322	0.9
229.10240	1.2
229.12314	2.2
230.10823	1.1
231.11650	2.4
231.13799	2.0
232.12503	1.7
233.13210	3.4
234.13893	1.8
235.11188	1.6
235.14801	4.4
237.12766	1.2
237.16397	1.9
239.10750	0.9
239.14471	1.8
243.11688	2.1
243.13895	2.1
244.12407	2.1
245.13310	3.8
246.14055	2.0
247.14833	4.4
249.12776	3.1
249.16393	1.9
251.14180	1.2
251.17938	0.9
257.13226	3.1
258.14120	1.8
260.15585	1.7
261.12814	0.9
261.16483	2.7
262.17148	1.3
263.14246	3.1
263.17993	2.1
265.15988	1.8
265.19437	1.4
272.15698	1.5
273.16339	1.1
275.14447	2.4
275.17957	6.3
277.19507	8.8
279.14154	1.0
279.17496	1.5
281.15305	1.2
287.17993	6.1
289.15619	1.1
291.17523	1.3
293.19110	2.8
295.20578	2.9
303.17462	1.3
303.80640	0.9
305.15567	1.1
305.18979	15.2
321.18488	1.2
323.20102	16.1
329.15332	1.1
341.21365	5.3
345.18536	1.3
357.18427	1.4
359.20065	2.6
361.17969	1.7
369.18414	2.5
375.19592	2.2
377.21030	1.4
387.19482	8.3
405.20685	10.7
423.21558	4.4
453.24307	1.7
489.26175	1.4
553.25708	2.4
557.34326	1.2
571.26910	2.1
701.30621	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.9
55.05518	16.3
62.04738	2.9
67.05502	8.2
67.29574	2.6
69.03409	3.7
69.07074	3.3
71.55726	3.5
79.05500	5.8
81.03400	5.2
81.07065	8.4
83.04981	13.5
85.84361	2.7
86.23525	2.8
91.05489	20.7
93.07045	10.5
95.04970	11.8
95.08616	6.5
103.05480	10.6
105.03400	100.0
105.04482	5.5
105.07042	18.4
106.56300	3.0
107.08603	6.0
109.06522	3.4
109.10184	3.8
115.05413	5.2
117.07030	14.5
119.08576	22.8
120.08931	3.7
121.10151	3.5
126.09278	2.9
128.06244	6.5
129.07016	10.2
131.04921	17.1
131.08582	16.0
132.05240	5.0
133.06482	5.7
133.10112	14.6
134.10387	2.7
135.08064	6.4
142.07788	5.5
143.08562	17.2
145.06487	6.8
145.10097	8.2
147.08075	10.7
149.09636	9.6
155.08527	3.4
156.09344	11.3
157.10141	24.4
159.08070	9.3
159.11729	7.7
161.06006	5.7
161.09621	9.2
163.07513	9.3
169.10141	12.7
170.10858	7.1
171.08061	5.6
171.11696	45.1
173.09659	9.2
173.13283	3.4
175.07544	5.3
175.11235	3.3
177.09100	9.6
183.08116	6.8
183.11690	32.4
185.09604	7.1
185.13287	32.1
187.11200	6.0
189.05548	6.5
189.09094	7.3
191.07086	3.1
191.10683	3.9
192.09410	3.6
193.10213	5.5
195.11693	9.3
197.09676	6.3
197.13264	5.0
199.11163	37.9
201.09125	4.3
201.12628	4.0
207.11708	7.0
209.09706	4.4
209.13312	3.6
211.11157	6.8
213.09309	5.2
213.12724	39.5
215.10535	5.0
219.11720	6.1
220.12389	3.4
221.13318	6.5
223.11165	6.9
223.14780	3.1
225.09105	4.1
225.12634	3.9
230.10912	3.6
232.12418	4.2
233.13234	5.3
237.12799	3.4
241.12302	7.0
243.11780	5.4
243.13911	6.4
244.12396	3.8
245.13208	3.3
245.15363	26.5
247.14940	5.8
255.10072	4.3
255.13876	5.7
256.12415	4.0
257.13315	3.5
258.13828	4.3
261.12607	4.5
261.16464	3.6
269.13162	6.4
270.13788	4.0
273.14719	19.6
282.14056	4.1
283.14780	7.8
287.14246	3.3
297.16507	4.1
299.14343	4.3
301.12216	2.9
305.12039	3.6
315.13928	3.6
317.15369	3.9
328.14685	3.6
331.16919	6.8
332.51849	3.0
333.18433	7.1
342.16058	5.2
343.16992	26.0
345.14716	4.3
347.16409	6.1
347.20285	5.2
357.14731	4.5
357.18469	20.4
361.18036	13.7
373.17856	6.1
375.19583	22.1
379.19031	3.9
385.17957	33.8
387.19406	4.5
403.19104	40.2
405.20682	5.5
407.22150	9.2
417.20737	21.4
435.21710	50.2
453.22745	7.0
463.21249	16.2
481.22278	3.7
495.23636	7.9
507.21667	4.6
523.22815	4.8
586.13879	3.0
645.27478	7.2
669.41583	3.1
711.23163	3.7
754.30737	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	753.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01874	1.6
55.05519	4.0
65.03944	1.0
67.05499	7.0
69.03425	1.9
69.07073	3.1
77.03939	0.8
79.05495	7.2
81.02985	0.8
81.03387	3.6
81.07076	7.9
83.04986	2.8
85.02913	1.0
91.05494	10.3
93.07062	9.0
95.04973	7.9
95.08619	6.5
97.02903	1.0
97.06555	7.2
98.20722	1.8
103.05476	48.3
105.04512	0.8
105.07039	13.6
107.04964	1.7
107.08603	9.2
109.06498	4.6
109.10174	2.7
111.04417	1.1
111.08110	1.2
115.05497	2.4
117.07034	4.5
119.08594	14.0
120.73385	0.8
121.06493	5.1
121.10148	4.6
123.04444	1.8
123.08086	6.2
125.05963	1.4
128.06248	2.6
129.07027	5.6
130.07787	1.1
131.04938	100.0
131.08588	8.6
132.05235	1.2
133.06485	3.0
133.10139	16.1
135.08040	6.5
137.06026	0.9
137.09622	1.2
138.50038	0.7
141.07014	3.1
142.07797	5.8
143.08586	9.5
144.09369	1.2
145.06470	2.1
145.10124	9.8
147.08047	6.7
147.11671	2.4
149.05989	2.9
149.09618	2.7
151.07605	1.8
153.07001	2.3
154.07745	1.3
155.08554	7.4
156.09360	7.4
157.06555	1.0
157.08931	1.5
157.10149	16.6
158.10942	1.6
159.08044	5.5
159.11713	8.0
160.08823	0.8
161.06003	1.2
161.09593	5.3
163.07553	1.2
163.11176	2.7
165.06958	3.8
166.07779	1.6
167.08594	5.6
168.09367	3.8
169.10144	11.0
169.65562	0.7
170.10921	4.0
171.08061	2.7
171.11697	15.8
172.08742	1.6
172.12489	1.2
173.09677	6.4
173.13309	4.8
175.07498	0.8
175.11200	3.0
177.05447	1.0
177.09087	0.9
179.08612	4.7
179.10690	1.3
180.09358	1.5
181.10123	5.1
182.07291	1.0
182.10948	6.8
183.08041	2.3
183.11707	11.1
184.08890	1.1
184.12448	2.1
185.09636	5.1
185.13242	7.1
186.10431	1.8
187.07610	1.1
187.11247	5.1
187.14833	2.7
189.08955	0.9
189.12773	1.7
191.08678	0.9
191.10571	0.8
192.09348	1.9
193.10123	4.9
193.11975	1.1
194.10866	1.8
195.08092	1.8
195.11723	12.5
196.08835	1.0
196.12602	2.0
197.09634	2.7
197.13261	15.8
198.10353	2.2
198.14151	1.4
199.11198	8.4
199.14857	4.3
200.11940	3.1
201.09129	1.2
201.12755	8.5
201.16295	1.1
203.08722	1.0
203.10675	1.1
203.14281	0.8
205.10141	1.9
206.10950	2.2
207.11661	4.9
208.12489	1.0
209.09767	1.6
209.13268	8.5
210.10452	2.8
211.11263	3.9
211.12982	1.0
211.14890	5.3
212.11981	2.3
213.12723	9.4
214.13339	1.1
215.14323	5.8
216.09407	1.5
217.10147	1.8
217.12183	0.9
217.15846	1.2
218.10857	1.1
219.11754	2.8
220.12512	2.8
221.13358	4.5
221.79494	0.9
222.13957	1.0
223.11221	2.6
223.14801	3.5
225.12741	10.2
225.16356	1.0
226.13554	1.1
227.10750	1.5
227.14343	12.9
228.15089	1.4
229.10123	0.9
229.12273	1.7
229.15955	1.5
230.10901	1.2
231.11694	3.0
231.13779	1.3
232.12498	1.1
233.13248	3.2
234.10336	1.0
234.14009	1.9
235.11212	1.7
235.14853	2.7
237.12721	1.9
237.16463	1.4
239.14320	2.4
241.12315	2.1
243.11665	1.6
243.13821	14.9
244.14592	0.9
245.13394	4.3
245.15469	3.5
246.14081	1.7
247.11157	1.5
247.14854	2.7
248.15610	0.9
249.12677	1.3
249.16437	3.0
251.14394	2.5
251.18048	1.2
257.13300	1.5
260.15604	3.2
261.12762	1.6
261.16321	2.7
263.14355	3.3
263.17920	2.8
265.15909	2.1
265.19321	1.2
273.12811	1.4
273.16205	0.8
275.14578	1.8
275.17953	5.2
277.15909	2.2
277.19287	1.3
279.13773	0.9
279.17365	2.9
280.18387	0.8
281.15314	1.3
285.16473	1.1
291.17426	3.1
293.15784	1.2
293.18881	5.6
295.17108	1.7
295.20596	2.7
297.18506	1.5
299.16589	0.8
303.17401	5.4
305.19086	5.0
308.17712	1.6
309.18286	1.1
311.20084	2.0
321.18515	13.6
323.20038	15.8
339.19586	13.1
341.21158	5.7
357.20514	2.0
375.19424	1.2
391.19073	1.1
393.20593	1.4
403.18979	1.0
421.20361	3.5
439.21222	10.2
457.22397	1.3
471.25433	1.6
487.24811	3.5
489.26572	1.7
496.22046	0.9
569.25873	0.9
587.26251	3.5
637.31903	1.2
718.69318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.05509	4.7
67.05499	2.2
69.03439	1.2
69.07063	1.3
69.24117	2.9
69.24545	4.0
79.05495	2.1
81.03436	0.8
81.07068	2.3
83.04988	6.6
91.05475	4.1
93.07068	2.7
95.04976	2.1
95.08604	1.4
102.59718	0.7
103.05485	3.8
105.03416	2.4
105.07043	2.7
107.08609	1.9
109.06512	0.8
115.05448	0.9
117.06977	1.0
119.04978	1.3
119.08580	4.1
121.06525	1.7
121.10128	1.2
129.07019	0.9
131.04933	10.0
131.08606	2.8
133.06508	1.3
133.10150	2.1
135.08054	1.4
143.08575	2.3
145.06589	1.1
145.10175	2.4
147.08113	2.1
149.09628	1.2
155.08554	0.8
157.10178	3.5
159.08096	2.2
161.05968	0.9
161.09624	1.2
169.10149	1.8
170.10904	0.7
171.08102	1.5
171.11755	3.4
173.09676	2.0
181.10101	0.8
183.11803	2.5
185.09663	1.8
185.13275	2.3
197.13399	1.3
199.11234	2.8
200.11879	0.8
201.12743	2.0
207.11914	0.9
209.09615	1.1
211.11212	1.3
213.12737	7.0
223.11209	0.9
227.10732	0.8
227.67645	0.8
241.12302	0.8
273.14963	2.5
281.11618	1.5
289.15863	0.9
297.14911	1.8
341.13913	0.9
357.16876	3.2
393.20676	1.0
401.16153	1.2
417.18866	14.8
457.22153	2.8
515.23730	0.9
558.02258	1.2
575.26141	2.7
635.28302	100.0
636.28314	4.2
649.29834	6.4
693.28845	68.1
694.29578	3.4
768.81848	0.8
783.27399	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.5
59.53717	0.6
67.05506	0.8
69.38955	4.8
71.21651	0.5
79.05481	0.9
79.46851	0.5
81.03396	1.2
81.07059	0.8
83.04987	5.6
91.05489	2.7
93.07066	1.5
93.52785	0.5
93.86377	0.6
95.04978	1.0
98.21507	0.7
103.05471	1.6
105.03410	2.2
105.07043	2.1
107.08573	1.0
109.06570	0.7
117.06985	0.8
119.08571	3.3
121.06507	1.1
129.07005	0.9
131.04964	2.7
131.08574	1.8
133.06509	0.7
133.10110	1.3
135.08072	1.4
142.07832	0.7
143.08588	1.7
145.10063	1.2
147.08092	1.9
149.09651	0.9
153.55565	0.6
155.08586	1.4
157.10133	2.9
159.08072	2.1
159.11667	0.8
161.09668	1.5
171.08049	2.0
171.11739	2.5
173.09668	1.7
183.11688	3.6
185.09653	1.9
185.13293	1.9
187.11110	1.1
195.11754	1.0
197.09625	0.8
197.13359	1.2
198.10556	0.7
199.11226	2.7
201.12849	0.7
213.12744	6.9
221.13232	1.0
223.11128	1.0
233.13251	0.7
240.30840	0.7
241.12296	0.8
248.11765	0.6
259.13446	0.8
273.14951	2.8
281.11499	1.1
289.15714	0.9
295.13239	0.7
296.13925	0.8
297.14706	1.9
310.15396	0.7
318.27881	0.6
341.13617	0.8
345.16711	0.7
355.15860	0.7
356.15912	1.9
357.16824	4.1
381.16800	2.1
401.16025	1.1
417.18832	19.2
457.22064	2.9
515.23871	1.9
575.26465	3.9
601.74646	0.7
635.28284	100.0
636.28442	5.5
693.28827	74.2
694.29407	3.1
718.32770	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.309
Annotation	Trigohownin F
Peak:m/z	Relative Intensity
53.03940	0.7
55.05522	3.0
60.80366	0.5
67.05514	0.8
69.03429	0.9
69.07055	0.5
79.05478	1.0
81.03417	0.8
81.07071	0.5
83.04995	3.7
91.05488	1.5
93.07058	1.1
94.18575	0.5
95.04956	1.3
98.06108	0.5
103.05471	4.4
104.05808	1.1
105.07036	2.0
107.08603	0.9
117.07071	0.5
119.08585	2.7
123.08099	0.6
128.06183	0.4
131.04947	8.7
131.08595	1.3
132.05251	2.4
133.06516	0.7
133.10150	0.8
135.08038	0.7
143.08578	1.8
145.10155	1.7
147.08104	0.9
155.08630	0.6
156.09395	1.3
157.10143	2.1
159.08080	1.1
161.06021	0.9
161.09662	1.0
167.08585	0.6
169.10130	1.0
170.11038	1.0
171.08073	2.2
171.11656	3.1
173.09668	1.6
179.08623	0.6
183.11757	2.5
184.08958	0.5
185.09648	1.9
185.13313	2.3
195.11780	1.0
198.10472	1.2
199.07535	0.5
199.11230	2.0
200.11827	0.7
201.12814	0.6
213.12766	10.6
231.10280	0.9
273.14890	2.7
357.16779	1.4
381.16504	0.8
415.17599	0.6
417.18915	5.1
457.22153	0.7
489.22357	0.6
573.24518	0.6
589.28168	1.1
633.26550	1.4
649.29919	3.1
693.28845	100.0
694.29352	4.3
753.37683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
55.01855	3.4
55.05522	23.2
57.03438	18.6
57.07079	16.7
65.00871	1.6
65.03935	4.2
67.05508	100.0
69.07071	23.3
69.96275	8.9
71.04996	4.1
71.08642	11.3
79.05498	71.7
81.03423	36.2
81.07059	98.6
83.04967	5.8
83.08620	24.0
83.74660	1.7
85.02818	2.3
85.06534	6.3
85.10181	4.5
89.06004	1.8
91.05484	73.8
91.10125	1.9
93.07050	79.4
93.07635	4.2
95.04962	13.3
95.08609	65.1
97.06516	8.5
97.10165	6.4
98.20807	2.3
99.08099	2.7
103.05360	1.7
105.06380	3.4
105.07037	41.1
107.04970	5.9
107.08598	37.0
109.06509	4.9
109.10166	21.4
111.08064	12.0
117.07020	22.6
119.08585	33.2
121.06502	4.4
121.10151	58.9
123.08080	5.2
123.11684	7.1
125.09628	4.6
129.07024	9.6
131.08565	36.4
133.10139	39.8
135.08060	12.5
135.11694	30.9
137.09598	4.3
143.08548	5.5
145.10132	26.2
147.08031	2.8
147.11702	21.4
149.09622	9.7
149.13255	11.6
157.10127	12.0
159.11702	26.2
161.13277	10.1
163.11220	9.1
165.12735	1.9
170.79187	1.9
171.11659	11.6
173.13268	9.1
175.11266	4.6
175.14824	3.6
177.12764	17.9
183.11771	2.0
185.13251	5.2
191.14359	2.2
193.12257	15.0
197.13199	3.2
229.19603	2.7
239.17969	5.7
241.19479	7.1
257.18976	9.7
257.24741	1.9
259.20569	23.7
267.15936	59.0
275.20026	42.9
277.21542	11.4
293.21127	2.0
313.27365	58.9
333.24268	19.9
335.25674	3.8
349.23755	64.3
350.23944	2.3
351.25293	68.3
367.24869	17.9
423.27533	10.3
441.28537	31.0
476.21222	2.6
505.38931	44.4
526.16229	2.2
536.23871	3.8
567.73779	2.2
622.26965	5.7
623.28302	10.7
625.44324	7.0
643.45209	5.0
699.48303	17.8
702.31958	2.1
717.49280	42.6
718.49719	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	752.531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.7
54.14601	2.1
55.01880	4.1
55.05515	27.0
57.03431	8.9
57.07079	4.1
65.03937	5.7
66.80811	1.8
67.05512	92.3
69.07078	19.2
71.04985	6.7
75.04518	2.3
77.03941	2.9
79.05065	4.6
79.05501	82.2
79.05965	4.0
81.03426	5.3
81.07065	100.0
83.04962	4.7
83.08628	14.6
85.06562	5.0
91.05491	80.4
93.07054	79.7
95.04977	9.1
95.08615	52.9
97.06544	11.6
97.10164	3.2
98.20602	4.8
99.08082	2.9
100.34062	2.2
105.04546	4.9
105.07038	48.9
107.04961	5.9
107.08604	46.1
109.06519	4.8
109.10175	14.3
111.08083	9.8
115.45712	2.3
117.07027	23.2
119.08589	38.1
121.06532	4.6
121.10149	45.4
123.08036	3.3
123.11811	3.0
125.09592	4.4
129.07013	7.4
131.08578	39.6
133.10117	36.7
135.08067	9.9
135.11720	26.4
137.09686	5.4
141.06987	3.4
143.08578	10.6
145.08351	2.3
145.10144	27.9
147.11722	19.9
149.09604	10.9
149.13277	9.5
151.11214	3.2
155.06104	2.1
157.10141	10.2
159.11711	23.5
161.09625	6.1
161.13307	9.2
163.11142	6.0
169.10205	3.8
171.11690	13.7
173.13310	11.1
175.11261	2.3
175.14899	2.7
177.05530	6.2
177.12756	10.5
179.50003	2.3
183.11697	3.0
184.07359	2.8
185.13327	3.0
187.14961	2.4
199.14804	3.1
239.18004	6.8
241.19592	6.0
257.19064	7.2
259.20560	13.5
275.20105	47.0
277.21658	7.5
293.21243	3.1
299.14828	5.2
313.27396	5.0
333.24200	16.7
349.23764	38.6
351.25308	45.4
352.55746	2.6
367.24884	22.4
423.27521	17.6
441.28482	24.7
546.25977	4.1
606.27594	9.1
625.44446	7.6
643.45251	3.6
665.63916	2.5
699.48608	18.0
717.38531	3.1
717.49664	53.1
752.45618	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	752.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
55.01855	3.4
55.05522	23.2
57.03438	18.6
57.07079	16.7
65.00871	1.6
65.03935	4.2
67.05508	100.0
69.07071	23.3
69.96275	8.9
71.04996	4.1
71.08642	11.3
79.05498	71.7
81.03423	36.2
81.07059	98.6
83.04967	5.8
83.08620	24.0
83.74660	1.7
85.02818	2.3
85.06534	6.3
85.10181	4.5
89.06004	1.8
91.05484	73.8
91.10125	1.9
93.07050	79.4
93.07635	4.2
95.04962	13.3
95.08609	65.1
97.06516	8.5
97.10165	6.4
98.20807	2.3
99.08099	2.7
103.05360	1.7
105.06380	3.4
105.07037	41.1
107.04970	5.9
107.08598	37.0
109.06509	4.9
109.10166	21.4
111.08064	12.0
117.07020	22.6
119.08585	33.2
121.06502	4.4
121.10151	58.9
123.08080	5.2
123.11684	7.1
125.09628	4.6
129.07024	9.6
131.08565	36.4
133.10139	39.8
135.08060	12.5
135.11694	30.9
137.09598	4.3
143.08548	5.5
145.10132	26.2
147.08031	2.8
147.11702	21.4
149.09622	9.7
149.13255	11.6
157.10127	12.0
159.11702	26.2
161.13277	10.1
163.11220	9.1
165.12735	1.9
170.79187	1.9
171.11659	11.6
173.13268	9.1
175.11266	4.6
175.14824	3.6
177.12764	17.9
183.11771	2.0
185.13251	5.2
191.14359	2.2
193.12257	15.0
197.13199	3.2
229.19603	2.7
239.17969	5.7
241.19479	7.1
257.18976	9.7
257.24741	1.9
259.20569	23.7
267.15936	59.0
275.20026	42.9
277.21542	11.4
293.21127	2.0
313.27365	58.9
333.24268	19.9
335.25674	3.8
349.23755	64.3
350.23944	2.3
351.25293	68.3
367.24869	17.9
423.27533	10.3
441.28537	31.0
476.21222	2.6
505.38931	44.4
526.16229	2.2
536.23871	3.8
567.73779	2.2
622.26965	5.7
623.28302	10.7
625.44324	7.0
643.45209	5.0
699.48303	17.8
702.31958	2.1
717.49280	42.6
718.49719	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	752.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01865	1.4
55.05520	8.2
57.03440	13.8
57.07083	24.3
59.98740	0.9
65.03930	1.2
67.05509	21.3
69.03429	1.3
69.07074	9.6
69.58798	1.9
69.59209	4.3
71.08639	22.1
75.94978	1.1
76.74271	1.1
79.05500	14.2
81.03426	56.3
81.07064	24.9
83.04974	3.5
83.08150	1.4
83.08621	17.4
85.02892	1.3
85.06542	2.0
85.10197	12.1
91.05489	17.3
93.07055	12.1
95.04981	16.1
95.08060	1.5
95.08618	21.3
97.02875	1.7
97.06554	2.8
97.10182	5.1
98.20754	1.7
105.07044	13.5
107.04964	4.7
107.08617	7.3
109.06550	2.6
109.10172	8.5
111.08109	5.3
111.87038	1.0
117.07014	3.3
119.08596	13.4
121.06553	2.2
121.10166	7.6
122.23196	1.1
123.04428	1.2
123.08066	1.6
123.11728	3.1
129.07002	7.7
131.08568	9.9
133.06572	2.3
133.10182	5.5
135.08075	1.3
135.11696	2.9
137.13234	1.4
142.07741	1.5
145.10132	4.0
146.08459	1.0
147.08040	2.4
147.11685	7.3
149.09592	2.9
157.10126	8.2
159.11690	2.6
161.13277	1.5
163.11214	1.5
165.12772	1.4
171.00269	1.0
171.11641	1.2
175.11154	7.1
177.12753	2.1
193.12254	21.6
219.76172	1.2
221.15416	3.0
235.13376	1.1
239.23796	1.6
249.14841	1.4
257.24594	1.9
259.20660	1.5
267.15933	100.0
268.16153	1.9
275.20148	2.4
295.19077	8.5
309.16888	2.0
313.27386	98.8
314.27737	1.5
335.25830	1.3
349.23743	2.6
351.25320	5.1
367.24561	1.5
423.27371	1.3
441.27859	1.2
448.22330	1.7
476.21640	2.1
505.38919	75.5
506.39215	2.0
536.23724	1.8
547.39764	2.7
551.05981	1.1
553.76733	1.1
555.40466	3.3
622.27502	4.7
623.28357	6.9
655.30328	1.2
699.47748	1.4
717.49139	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.4
55.01871	1.4
55.05523	7.7
56.75843	0.9
57.03444	10.7
57.07082	25.9
58.91090	1.0
60.43171	1.0
65.03954	1.0
67.05511	17.8
69.03432	1.7
69.07067	6.9
69.94778	1.4
69.95193	3.5
71.04994	2.2
71.08278	1.9
71.08636	18.9
79.05495	11.4
81.03423	54.1
81.07066	23.9
83.04984	2.5
83.08631	19.7
85.02913	1.9
85.10194	12.7
89.06035	1.2
91.05490	14.7
93.07043	9.3
95.04980	16.6
95.08619	19.9
97.02897	3.1
97.06518	2.5
97.10160	3.9
103.07555	1.1
105.07039	10.1
107.04967	3.5
107.08607	6.0
109.06525	3.4
109.10161	8.3
111.04445	1.5
111.08085	6.0
115.05536	1.4
117.07016	3.2
119.08600	11.5
121.06486	1.3
121.10158	8.1
123.08102	1.7
123.11714	3.1
129.07022	6.6
131.08578	8.3
133.06482	1.8
133.10138	4.5
135.07999	1.1
135.11703	2.9
137.09644	1.3
142.07782	1.6
145.10130	4.1
147.08066	2.1
147.11726	6.2
149.09663	5.3
157.10149	5.8
159.11656	1.9
160.86412	1.0
163.11224	1.4
165.12811	1.4
175.11214	7.5
193.12253	23.7
239.23708	1.2
241.88350	1.0
249.14842	1.4
257.24792	1.8
259.20703	1.0
267.15930	100.0
275.20056	2.2
277.21634	2.3
301.14496	1.7
309.16895	1.2
313.27386	98.4
314.27689	2.2
333.24475	1.1
349.23816	3.2
351.25241	5.5
423.27414	1.3
458.08249	1.1
501.51559	1.3
505.38947	81.1
506.39246	3.4
547.39966	2.8
601.41125	2.2
622.27582	1.8
623.28076	2.9
699.47797	2.2
717.48987	3.5
734.33197	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01866	2.4
55.05518	55.2
55.70170	1.7
56.05844	1.9
67.05510	6.0
69.03465	2.0
69.07069	4.3
70.06580	2.6
74.09725	2.1
79.05505	10.7
79.66528	1.6
81.03422	3.8
81.07065	7.6
83.04990	100.0
85.02895	2.5
91.05479	11.7
93.07037	7.8
95.04971	6.7
95.08616	8.8
98.06086	4.3
101.02406	2.6
103.05490	17.2
105.03419	10.8
105.07048	23.5
107.04948	8.3
107.08604	8.1
109.06510	5.7
109.10210	2.2
115.05432	3.8
117.07015	8.9
118.41261	1.7
119.04929	4.0
119.08595	14.1
121.06509	2.6
121.10150	3.8
123.08115	2.9
128.06215	4.9
129.07014	6.4
131.04938	25.0
131.08598	8.7
132.05270	6.0
133.06496	10.7
133.10170	12.6
135.08028	3.5
141.06964	2.5
142.07813	6.7
143.08583	13.8
145.06503	8.1
145.10136	11.4
147.08066	12.0
147.11723	2.9
149.06020	4.0
149.09644	7.3
153.06999	3.2
155.08588	8.1
156.09320	8.1
157.10139	21.3
159.08067	9.1
159.11685	5.0
161.05998	11.5
161.09645	6.6
162.06288	2.4
163.07562	3.6
165.05711	1.8
165.07036	3.7
165.09175	2.4
167.08566	3.5
169.10158	12.1
170.10855	6.2
171.08139	9.0
171.11716	42.8
173.05975	3.5
173.09615	10.2
175.07599	4.8
175.11201	2.5
177.09131	2.5
179.07028	2.3
179.08656	2.2
181.10164	4.8
182.10873	2.2
183.08086	3.5
183.11690	31.5
184.08763	1.8
185.09663	8.2
185.13275	29.1
187.07585	2.4
187.11226	6.6
189.05495	4.6
189.09149	3.2
191.08681	2.6
193.10162	3.4
194.10918	2.6
195.11711	9.6
197.09666	4.6
197.13295	8.0
199.11218	7.9
201.09076	4.5
201.12827	3.8
203.07083	2.9
203.08778	2.5
203.10709	3.2
205.12231	4.4
206.10873	3.5
207.11664	4.9
209.09668	2.0
211.11209	9.4
213.12766	26.9
215.10858	3.7
217.10330	2.2
218.11057	2.7
219.11662	5.6
220.12456	2.6
221.13260	7.7
223.11246	4.4
223.14835	3.6
225.09151	2.9
225.12869	2.3
227.10646	2.5
229.12282	3.7
230.11018	2.2
231.11713	5.9
231.13905	5.5
232.12425	4.1
233.13272	6.1
234.14009	2.7
235.14946	4.2
236.12164	2.1
237.12683	2.4
241.12260	3.9
243.11674	5.0
243.13831	8.9
244.12436	3.4
245.13222	6.2
245.15393	20.7
246.13899	3.6
247.11227	3.5
247.14815	5.7
249.12767	3.2
249.16414	4.4
251.14221	2.6
251.17906	2.9
255.13945	2.5
257.13354	3.9
258.02856	2.1
258.13995	4.2
259.11169	2.2
259.14752	5.6
260.11954	2.3
260.15497	3.9
261.16412	6.8
269.13324	3.9
270.14203	3.2
271.14941	3.4
273.14618	10.0
275.14313	3.6
275.17905	6.0
277.15704	2.6
279.17447	5.5
284.15231	2.4
285.13040	2.7
285.16391	5.6
287.14206	2.5
288.14926	2.9
289.15671	4.3
290.16672	2.2
291.17548	4.4
297.12701	2.8
298.13257	2.2
299.14575	3.2
299.17807	3.8
301.16031	4.2
303.17493	8.2
307.17209	2.7
313.15970	6.5
315.17361	4.4
317.18924	3.4
319.16827	3.3
320.17462	2.0
321.18500	4.8
327.17490	3.8
331.16876	7.1
335.20078	5.2
341.15378	2.7
343.16751	3.3
345.18506	6.0
349.18039	3.9
353.21057	6.9
355.16885	6.0
359.16281	4.3
363.19684	2.6
373.18106	8.0
377.17062	2.8
377.21265	4.7
387.19531	5.2
391.19135	6.6
401.17627	3.8
405.20590	10.8
411.21616	2.4
413.23248	4.9
415.18793	2.4
421.19687	2.7
423.21896	8.0
433.20337	10.7
437.23282	2.3
451.21249	11.5
465.23059	10.2
483.23752	4.4
493.22375	5.7
501.23071	2.3
511.23181	5.8
525.24640	4.6
529.24554	9.2
543.25653	2.2
551.25262	2.5
553.24255	4.4
585.25818	2.8
593.26898	2.1
611.28528	3.1
625.30035	12.3
634.42352	2.0
653.29553	10.4
692.32965	2.0
752.37421	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	752.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.05263	3.9
55.05515	53.1
67.05492	3.7
69.03403	3.0
71.55772	4.3
73.07304	3.0
73.19563	2.2
79.05489	7.9
81.03410	4.1
81.07044	10.3
83.04983	100.0
84.44868	2.1
91.05473	15.8
93.07050	9.4
95.04950	5.8
95.08608	9.0
97.06538	2.7
103.05479	8.2
105.07040	26.5
106.07420	2.8
107.04973	5.6
107.08583	5.5
109.06519	3.8
115.05453	5.2
117.07018	8.8
119.04908	3.5
119.08583	19.4
121.06494	4.2
121.10122	4.6
123.08113	2.9
128.06235	4.1
129.07024	7.6
131.04938	10.5
131.08524	12.9
132.05281	3.0
133.06505	12.0
133.10104	12.0
135.08087	5.8
141.06990	3.6
142.07724	5.0
143.08548	14.6
145.06505	11.6
145.10097	12.2
147.08070	9.7
149.06042	3.9
149.09654	3.0
155.08577	8.8
156.09349	8.8
157.10138	22.7
159.08107	9.8
159.11708	5.3
161.05957	8.0
161.09644	6.7
163.11160	4.7
166.94351	2.9
167.08604	5.7
169.10132	15.5
170.10866	5.7
171.08060	8.9
171.11691	35.2
173.09662	11.2
173.13380	4.3
175.07507	4.7
177.05467	3.3
181.10146	7.0
183.08069	6.4
183.11703	27.2
185.09676	8.4
185.13271	26.1
187.07593	3.5
187.11221	5.1
189.05487	3.1
193.10135	4.6
193.12085	2.5
195.11771	8.9
197.09590	6.4
197.13249	9.4
199.07683	2.9
199.11174	10.9
201.12759	5.8
207.11732	5.6
211.11234	7.0
212.69550	2.5
213.09140	2.8
213.12752	27.9
219.11783	3.4
220.12477	3.3
221.13281	3.6
223.11234	6.8
229.12256	4.7
231.11864	4.8
233.13303	5.7
235.11264	3.5
241.12227	5.3
243.13820	7.3
245.13231	6.7
245.15378	19.1
246.13765	2.7
247.14798	6.3
255.13857	4.1
256.12488	5.2
258.13940	4.8
259.11249	3.7
259.14737	8.0
260.15619	4.7
261.12723	4.0
261.16422	5.9
269.13284	4.3
270.13998	6.8
273.14774	14.2
274.13394	3.0
275.14551	3.9
275.17883	5.7
285.16333	7.5
286.13571	3.7
287.14417	6.7
287.17862	3.2
288.15018	3.2
289.15894	4.3
299.14297	5.6
301.15927	6.1
303.17603	6.5
313.15884	6.0
317.15375	4.3
327.17291	4.0
331.16934	8.1
335.20383	4.8
343.16898	6.2
345.18518	8.9
353.21362	4.1
355.16772	3.9
359.16348	3.2
373.17923	8.2
375.19757	4.4
377.21225	6.3
387.19519	11.3
391.19009	11.5
401.17514	3.0
405.20706	21.4
409.20203	3.9
415.19131	5.5
419.18707	4.7
423.21780	4.4
433.20056	12.2
451.21118	10.9
465.22757	11.7
469.22498	3.4
483.23602	7.5
511.23248	5.7
525.24438	8.4
529.24194	10.4
533.25781	4.3
543.25781	6.1
553.24689	3.7
585.27014	4.2
593.27228	3.3
624.31409	4.4
625.29773	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	752.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.7
55.01856	8.5
55.05515	76.1
56.05041	20.4
59.01516	2.6
67.05498	11.8
69.03428	6.1
69.07046	3.5
70.06590	6.1
75.05333	2.7
79.05480	13.3
80.04998	6.7
81.03403	12.6
81.07043	11.3
82.06557	5.2
83.01336	4.9
83.04985	95.9
88.60226	2.9
90.33608	2.6
91.05492	27.5
93.07036	14.9
93.44048	3.0
94.06532	2.9
95.04945	12.6
95.08606	9.7
98.06027	4.5
102.05529	5.1
103.05471	54.9
104.05809	27.4
105.03409	16.3
105.07034	32.7
106.03733	3.7
107.04932	4.7
107.08585	9.2
108.03802	4.8
108.04479	47.9
109.10125	3.1
110.06032	3.3
115.05455	13.1
116.07063	3.9
117.07011	13.2
119.04934	3.2
119.08597	31.0
121.06522	4.8
121.10149	8.5
122.06025	5.5
126.05525	35.6
128.06241	11.3
129.07021	15.7
131.04936	93.7
131.08545	18.3
132.05260	42.5
132.08907	3.7
132.09787	3.2
133.05498	10.6
133.06483	8.1
133.10150	24.6
134.06845	3.4
135.08044	5.9
140.07030	4.4
141.06992	9.6
142.07748	11.2
143.08591	20.7
145.06490	16.7
145.10168	18.7
147.08066	16.3
147.11723	4.7
149.09578	6.5
152.06200	3.5
153.06941	5.0
154.04976	13.0
154.07741	3.5
155.08521	12.5
156.09392	17.3
157.06454	3.2
157.10165	26.5
158.07268	4.4
158.09525	6.1
159.08038	17.9
159.11685	13.0
160.11211	6.9
161.06020	14.6
161.09595	13.7
162.06329	7.8
163.11182	3.2
165.06909	4.0
166.07654	3.9
167.08449	6.2
168.06558	8.9
169.10146	19.1
170.10814	8.8
171.08051	11.1
171.11697	35.8
172.08830	4.3
173.09613	13.6
173.13263	5.1
175.07509	3.1
179.08524	8.2
180.09068	3.4
181.10114	11.5
183.08072	13.0
183.11697	32.8
184.08772	5.4
185.09680	16.0
185.13245	30.6
186.09036	19.4
187.07579	3.4
187.11261	8.2
187.14799	5.1
188.09148	5.4
188.10713	70.3
189.12735	5.7
189.83777	3.0
193.10086	8.4
194.10788	3.5
195.08087	3.9
195.11697	11.7
197.09607	13.8
197.13284	10.3
198.10316	7.9
199.07632	3.5
199.11211	41.8
200.10516	7.9
200.11816	4.2
201.11771	3.5
202.12277	13.3
205.10097	4.0
206.10857	4.9
207.11633	12.5
209.09612	10.8
209.13327	6.2
211.11128	8.2
213.09201	3.4
213.12775	39.4
214.08632	28.7
214.12328	10.2
215.14345	3.1
216.10237	3.8
217.10179	5.4
218.10922	5.4
219.11613	8.5
221.09547	4.2
221.13287	7.5
223.11133	7.8
224.11618	2.8
225.09143	9.8
225.12646	3.7
226.09540	8.0
226.12056	3.9
229.10246	5.6
229.12332	4.6
230.10921	5.9
231.11606	10.1
231.13805	14.4
232.09320	3.2
232.12550	7.2
233.09521	3.8
233.13225	10.1
234.11220	29.2
234.13802	6.6
235.11081	5.5
235.14714	5.1
237.12743	6.1
238.12325	8.2
241.12183	4.4
243.11717	6.2
244.12474	10.3
245.13257	12.1
246.10913	5.7
246.13901	7.1
247.14844	10.5
248.12744	5.9
249.12617	6.6
249.16364	4.1
256.13000	3.6
257.07980	3.9
257.13345	5.5
258.14178	5.6
259.13071	5.5
259.15149	7.3
260.09134	11.9
260.11826	5.3
260.15628	6.3
261.12732	10.5
261.16376	5.6
262.10580	3.7
262.13504	6.2
263.14426	3.8
265.12253	5.4
266.11588	4.0
268.13068	6.8
269.13074	6.8
271.11374	4.4
271.14661	5.5
272.12268	6.8
272.15326	3.8
273.12585	7.9
273.16339	6.7
274.10495	3.7
274.13638	3.9
275.14252	6.0
275.17932	8.2
277.15857	7.0
278.16013	3.3
280.13156	5.6
282.14188	4.4
283.14850	4.9
284.12607	4.7
284.15515	4.1
285.12616	3.8
285.16382	5.0
286.13766	3.6
287.11185	3.3
287.14252	13.9
287.17584	4.8
288.14951	3.8
289.12491	4.1
289.15878	6.4
290.16287	3.3
299.14221	4.7
299.17743	4.1
301.15784	11.1
302.16422	8.6
303.17258	5.0
313.16037	5.1
313.19751	4.9
319.16754	3.9
339.17181	5.7
340.16742	4.2
356.20132	4.5
368.20212	6.8
382.21646	8.5
384.23248	3.6
386.21420	5.4
398.21069	5.2
400.22662	9.8
402.20343	3.9
410.20935	17.7
414.20572	12.0
416.18323	4.8
428.22275	37.7
430.23969	7.9
432.21689	3.5
444.21530	12.5
446.23346	28.8
456.21655	52.0
462.22870	4.0
464.24252	6.6
465.18152	3.6
473.27176	3.5
474.22736	68.6
488.24142	7.3
492.23911	23.2
506.25500	27.8
516.23718	6.5
524.26398	18.1
528.27283	5.2
534.17725	3.5
534.25012	45.5
552.26099	24.8
556.26624	7.0
567.20166	3.6
570.26898	5.2
606.30621	100.0
607.30737	4.0
624.31671	42.7
634.30127	42.8
652.31030	54.0
734.35767	30.7
752.35785	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	752.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	12.0
55.01877	4.7
55.05519	30.5
65.67459	1.7
66.93826	1.5
67.05492	7.1
67.16227	1.7
69.03414	3.2
71.05021	2.3
71.54700	1.5
77.03911	1.8
77.32170	2.0
79.05492	7.7
81.03408	6.4
81.07045	6.3
83.04988	48.6
84.38092	1.7
85.02904	3.3
91.05491	14.5
93.07061	9.5
95.04980	14.2
95.08599	5.1
97.06567	2.7
103.05469	21.6
104.05812	4.5
105.03402	100.0
105.04521	5.6
105.07034	21.0
107.04969	3.8
107.08595	6.9
109.06534	2.9
109.10132	2.0
115.05467	8.5
117.07028	19.2
119.04942	2.2
119.08576	18.4
121.06504	3.7
121.10168	2.8
128.06213	6.1
129.06999	6.5
131.04941	46.3
131.08543	7.6
132.05251	12.7
133.05539	2.2
133.06490	6.6
133.10161	15.2
135.08049	5.5
141.06979	4.4
142.07779	5.5
143.08546	12.9
145.06508	11.9
145.10132	9.9
147.08073	11.8
147.11708	3.4
149.05974	2.1
149.09605	4.1
155.08540	6.1
156.09419	9.1
157.06523	2.7
157.10150	17.9
159.08080	9.6
159.11690	7.2
161.06006	13.6
161.09613	10.7
163.07553	6.9
165.06940	2.1
167.08617	3.2
169.10094	11.4
170.10873	5.0
171.08047	4.3
171.11700	27.0
172.08823	2.2
173.05925	9.1
173.09641	9.1
175.07559	5.1
175.11131	2.4
177.09123	13.0
181.10168	5.0
183.08113	4.4
183.11717	27.0
185.09621	8.0
185.13231	10.1
187.11147	4.1
189.05432	5.4
189.09138	7.1
191.10664	4.4
193.10199	4.2
195.08154	2.2
195.11699	5.6
196.66605	1.7
197.09616	4.4
197.13184	4.1
198.10292	2.6
199.11163	14.6
200.11739	2.8
201.09056	2.4
201.12720	2.2
203.06972	2.7
203.10678	2.9
204.09317	1.9
205.08501	3.0
205.10194	2.6
206.10924	3.1
209.09647	2.9
209.13210	2.3
211.07600	2.2
211.11153	3.9
213.09071	4.8
213.12755	12.4
215.10666	5.4
217.08501	4.4
217.12169	2.5
219.11842	2.7
221.13263	4.4
223.11191	2.2
225.09087	3.2
225.12646	2.2
226.09613	2.5
227.10498	4.9
229.12244	4.5
230.10980	2.5
231.11838	3.2
231.13791	12.3
233.13329	4.3
234.14058	2.3
235.11267	2.2
235.14908	2.5
237.12701	4.0
241.10045	2.3
241.12241	7.2
243.11803	2.5
243.13855	3.4
244.12384	2.3
245.13257	5.5
246.13980	2.9
247.11241	3.1
247.14879	2.4
251.14275	2.1
257.13397	4.0
258.14072	2.9
259.13269	7.3
269.13333	2.3
270.14078	2.9
271.14835	5.1
273.16541	2.3
274.13580	2.3
277.16162	3.3
283.14969	3.0
284.15677	2.5
285.12997	4.1
285.16379	2.9
287.14325	5.1
287.17612	3.1
294.21262	1.9
297.16425	2.6
299.14331	4.1
300.15222	3.1
300.78674	2.0
301.15942	2.9
302.16681	2.2
303.13797	2.8
303.17368	2.8
305.11600	2.1
305.15256	3.4
313.12003	2.4
313.15729	2.3
314.16537	2.5
315.17404	5.8
317.15347	4.5
319.16809	3.3
320.17743	3.3
325.15741	2.3
327.13745	3.8
329.19067	3.1
331.16931	5.0
333.18335	2.9
339.17535	3.6
342.16275	2.1
343.16934	8.0
344.17786	2.2
345.14679	2.9
345.18350	2.5
346.75009	2.3
347.20142	4.0
354.80759	2.0
357.18527	11.9
361.18359	3.7
373.17990	4.8
375.19669	13.3
385.17981	17.6
391.18967	6.4
393.20471	5.0
403.19135	39.8
417.20499	4.2
421.20224	20.9
422.20740	2.3
435.21579	2.3
463.21405	13.2
481.22379	5.4
495.23840	2.5
507.21680	4.0
525.22650	4.0
563.26428	3.2
585.24670	3.9
603.25427	7.6
617.27264	4.5
633.35248	1.9
667.28479	2.3
685.30707	9.1
699.31335	3.4
717.32697	23.6
727.58081	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	752.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	12.0
55.01877	4.7
55.05519	30.5
65.67459	1.7
66.93826	1.5
67.05492	7.1
67.16227	1.7
69.03414	3.2
71.05021	2.3
71.54700	1.5
77.03911	1.8
77.32170	2.0
79.05492	7.7
81.03408	6.4
81.07045	6.3
83.04988	48.6
84.38092	1.7
85.02904	3.3
91.05491	14.5
93.07061	9.5
95.04980	14.2
95.08599	5.1
97.06567	2.7
103.05469	21.6
104.05812	4.5
105.03402	100.0
105.04521	5.6
105.07034	21.0
107.04969	3.8
107.08595	6.9
109.06534	2.9
109.10132	2.0
115.05467	8.5
117.07028	19.2
119.04942	2.2
119.08576	18.4
121.06504	3.7
121.10168	2.8
128.06213	6.1
129.06999	6.5
131.04941	46.3
131.08543	7.6
132.05251	12.7
133.05539	2.2
133.06490	6.6
133.10161	15.2
135.08049	5.5
141.06979	4.4
142.07779	5.5
143.08546	12.9
145.06508	11.9
145.10132	9.9
147.08073	11.8
147.11708	3.4
149.05974	2.1
149.09605	4.1
155.08540	6.1
156.09419	9.1
157.06523	2.7
157.10150	17.9
159.08080	9.6
159.11690	7.2
161.06006	13.6
161.09613	10.7
163.07553	6.9
165.06940	2.1
167.08617	3.2
169.10094	11.4
170.10873	5.0
171.08047	4.3
171.11700	27.0
172.08823	2.2
173.05925	9.1
173.09641	9.1
175.07559	5.1
175.11131	2.4
177.09123	13.0
181.10168	5.0
183.08113	4.4
183.11717	27.0
185.09621	8.0
185.13231	10.1
187.11147	4.1
189.05432	5.4
189.09138	7.1
191.10664	4.4
193.10199	4.2
195.08154	2.2
195.11699	5.6
196.66605	1.7
197.09616	4.4
197.13184	4.1
198.10292	2.6
199.11163	14.6
200.11739	2.8
201.09056	2.4
201.12720	2.2
203.06972	2.7
203.10678	2.9
204.09317	1.9
205.08501	3.0
205.10194	2.6
206.10924	3.1
209.09647	2.9
209.13210	2.3
211.07600	2.2
211.11153	3.9
213.09071	4.8
213.12755	12.4
215.10666	5.4
217.08501	4.4
217.12169	2.5
219.11842	2.7
221.13263	4.4
223.11191	2.2
225.09087	3.2
225.12646	2.2
226.09613	2.5
227.10498	4.9
229.12244	4.5
230.10980	2.5
231.11838	3.2
231.13791	12.3
233.13329	4.3
234.14058	2.3
235.11267	2.2
235.14908	2.5
237.12701	4.0
241.10045	2.3
241.12241	7.2
243.11803	2.5
243.13855	3.4
244.12384	2.3
245.13257	5.5
246.13980	2.9
247.11241	3.1
247.14879	2.4
251.14275	2.1
257.13397	4.0
258.14072	2.9
259.13269	7.3
269.13333	2.3
270.14078	2.9
271.14835	5.1
273.16541	2.3
274.13580	2.3
277.16162	3.3
283.14969	3.0
284.15677	2.5
285.12997	4.1
285.16379	2.9
287.14325	5.1
287.17612	3.1
294.21262	1.9
297.16425	2.6
299.14331	4.1
300.15222	3.1
300.78674	2.0
301.15942	2.9
302.16681	2.2
303.13797	2.8
303.17368	2.8
305.11600	2.1
305.15256	3.4
313.12003	2.4
313.15729	2.3
314.16537	2.5
315.17404	5.8
317.15347	4.5
319.16809	3.3
320.17743	3.3
325.15741	2.3
327.13745	3.8
329.19067	3.1
331.16931	5.0
333.18335	2.9
339.17535	3.6
342.16275	2.1
343.16934	8.0
344.17786	2.2
345.14679	2.9
345.18350	2.5
346.75009	2.3
347.20142	4.0
354.80759	2.0
357.18527	11.9
361.18359	3.7
373.17990	4.8
375.19669	13.3
385.17981	17.6
391.18967	6.4
393.20471	5.0
403.19135	39.8
417.20499	4.2
421.20224	20.9
422.20740	2.3
435.21579	2.3
463.21405	13.2
481.22379	5.4
495.23840	2.5
507.21680	4.0
525.22650	4.0
563.26428	3.2
585.24670	3.9
603.25427	7.6
617.27264	4.5
633.35248	1.9
667.28479	2.3
685.30707	9.1
699.31335	3.4
717.32697	23.6
727.58081	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	752.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01872	1.1
55.05519	1.2
65.03960	1.2
67.05506	4.7
69.03430	3.5
69.07076	0.9
71.55570	1.1
76.11568	0.6
79.05487	3.5
81.03426	2.1
81.07043	2.1
83.04993	1.8
84.08143	1.3
91.05486	8.2
93.07049	3.6
95.04980	5.6
95.08612	1.7
97.02926	0.8
103.05477	42.4
104.05787	0.9
105.03400	3.4
105.04549	0.9
105.07037	14.1
107.04967	0.9
107.08604	3.0
109.02926	1.0
109.06525	1.4
109.10159	1.0
115.05447	3.2
115.20493	0.8
117.07040	3.7
118.38943	0.9
119.05004	1.0
119.08601	8.6
121.06502	3.3
121.10172	1.1
123.08080	3.6
125.05996	2.2
128.06224	3.2
129.06982	2.8
129.20596	0.8
130.07777	1.4
131.04938	100.0
131.08586	5.8
132.05289	4.7
133.06500	4.5
133.10106	4.0
135.04399	0.7
135.08041	4.6
137.05992	1.5
137.07823	0.9
137.09645	1.4
141.07028	1.9
142.07803	1.8
142.58710	0.8
143.08588	7.4
144.08092	0.9
145.06506	11.5
145.10133	6.2
147.08061	7.3
149.06009	2.3
149.09613	1.7
151.07504	0.8
153.05469	4.7
153.06917	1.4
154.07715	0.9
155.08614	2.2
156.09389	2.0
157.06483	2.5
157.10117	2.8
159.08093	7.4
159.11746	0.8
161.06058	4.0
161.09653	2.6
163.03960	1.7
163.07536	2.3
167.08553	1.3
169.06436	0.8
169.10162	2.1
170.10909	1.0
171.08060	4.0
171.11699	3.2
173.06012	1.5
173.09612	4.8
174.06821	1.0
175.07576	1.9
177.05525	0.9
179.08635	1.9
180.09393	1.0
181.10091	1.8
183.08145	3.9
183.11723	2.9
185.06110	1.3
185.09605	2.1
187.07565	4.9
189.09161	3.8
191.07028	2.1
193.10089	1.5
195.08029	1.2
195.11751	2.3
197.09612	2.4
198.10432	0.8
199.07510	2.3
199.11221	2.1
201.09138	3.6
203.07056	2.2
203.10645	1.4
205.08612	2.2
207.11699	2.2
209.09627	1.0
211.11171	1.4
213.12761	2.5
215.10707	1.0
216.07851	2.5
217.08566	9.5
219.09949	1.7
219.11899	1.4
220.12398	1.0
221.09692	1.7
221.13300	1.1
223.11218	1.9
224.64552	0.8
225.09157	1.5
227.10660	1.1
229.08575	1.3
231.10031	6.2
232.12662	1.1
233.08112	1.0
233.11552	5.8
235.11346	1.4
235.14842	1.2
237.12898	1.2
239.10693	1.2
241.08418	1.1
249.11266	3.6
259.09573	1.6
260.10345	0.9
261.11093	6.1
261.16537	0.8
262.09927	0.9
262.13293	0.8
263.14389	2.0
272.12003	1.1
275.14307	1.3
277.15787	2.8
279.13892	1.1
287.12790	1.2
289.12283	1.3
293.11844	0.9
293.15405	1.0
301.12061	1.3
303.13983	1.1
305.15359	3.1
315.13647	0.9
321.14609	0.8
325.02231	0.9
325.14478	1.1
331.13007	0.9
331.16971	1.1
333.14804	1.6
349.18188	1.0
359.16254	2.0
363.15714	1.2
365.17563	1.6
377.17819	1.0
381.16885	1.8
382.17752	1.3
383.18500	2.0
387.15939	1.3
393.16919	3.2
397.14865	0.8
405.16705	2.4
409.19791	0.9
415.15466	1.4
417.16965	1.2
419.18622	1.1
433.16376	1.9
435.17767	1.8
437.19873	1.0
447.18085	6.6
453.26950	1.2
465.19012	10.3
483.19482	0.8
493.18692	1.6
497.52832	0.8
551.22437	3.0
567.22144	2.7
569.23682	1.4
571.88208	0.8
585.30908	1.1
599.26465	1.6
613.23877	1.2
699.28058	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	752.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01867	1.9
55.05513	2.4
65.03945	1.1
67.05502	3.0
69.03421	4.8
69.07053	1.5
71.56233	1.4
77.03914	1.2
77.44302	1.2
79.05490	5.6
81.03442	2.8
81.07058	2.3
83.04976	1.4
91.05470	6.9
93.07036	4.2
95.04972	6.2
98.55318	1.1
103.05468	44.0
104.05802	5.1
105.04554	1.9
105.07026	8.7
107.04926	3.7
107.08607	2.6
109.06548	1.9
115.05452	1.8
117.07014	3.6
117.12465	1.1
119.04915	1.4
119.08559	8.1
120.08910	1.6
121.06520	3.0
121.10139	2.4
123.04422	1.4
123.08056	2.2
128.06197	1.7
129.07027	5.8
131.04933	100.0
131.08606	5.7
132.05251	14.8
133.06520	4.0
133.10153	4.1
135.04431	2.7
135.08064	3.0
137.05966	1.7
141.06999	1.8
142.07747	2.1
143.08586	7.3
145.06471	4.1
145.10146	4.3
147.08083	5.6
149.05991	6.2
149.09587	1.5
151.07536	1.3
155.08577	3.5
156.09341	5.3
157.06467	1.7
157.10167	6.0
158.10500	2.1
159.08055	7.5
159.11703	2.0
161.06012	3.0
161.09677	3.9
163.07503	1.8
165.06975	2.1
166.07716	1.3
167.08624	1.4
168.09317	1.4
169.10123	4.7
170.10747	1.7
171.08128	2.9
171.11705	8.4
172.12067	1.4
173.09576	6.3
173.13306	1.6
175.07591	1.8
177.05545	1.6
180.09294	1.5
181.10080	4.1
183.08081	2.8
183.11684	5.8
184.08739	3.5
184.12199	1.6
185.05957	2.2
185.09547	6.6
185.13313	1.8
187.07538	2.4
189.09119	4.4
189.12843	1.3
193.10168	2.6
195.08110	2.5
195.11726	5.4
196.08727	1.3
196.12161	2.2
197.09650	5.8
197.13284	2.5
198.10196	1.4
199.07489	3.0
199.11171	11.6
200.11746	4.6
201.09021	2.0
201.12698	6.5
202.13126	1.3
203.07031	1.7
203.10732	1.8
205.08554	2.1
206.10808	1.2
207.11592	2.8
209.09627	4.9
209.13219	2.6
210.10272	2.5
211.07399	1.5
211.11195	4.4
213.09106	1.7
213.12714	1.9
215.10670	2.2
217.08569	4.2
217.10336	2.2
219.09987	1.7
219.11818	1.8
220.12570	1.3
221.13477	1.6
223.11211	2.3
225.09129	1.6
225.12675	2.3
226.09781	1.5
227.10660	17.6
229.12166	2.6
230.10965	1.2
231.10034	2.3
233.11661	2.6
235.14778	2.4
237.09201	1.7
237.12798	2.5
237.16354	1.4
239.10693	2.2
241.12221	5.3
242.12756	2.8
243.13878	1.6
245.11740	2.5
246.13875	1.3
247.11311	1.9
247.14766	1.6
248.11993	1.3
249.13052	1.6
249.16457	1.6
255.09999	1.7
257.11514	2.6
259.13068	6.3
260.13638	3.6
261.11261	3.7
263.14279	2.8
269.11746	4.0
272.11865	1.6
277.15857	3.7
287.12503	8.7
303.13785	1.7
305.14795	2.6
313.14304	1.5
319.16638	1.8
320.17130	1.9
321.14886	4.4
333.14920	1.9
335.16470	1.4
337.17950	2.7
345.14807	1.8
347.16620	1.4
351.15878	1.8
355.18826	1.3
359.16302	1.9
365.17426	4.4
377.17444	1.7
383.18469	2.4
387.15900	2.2
391.17651	2.2
401.16977	1.4
403.15341	1.4
405.16977	2.6
415.15335	2.7
419.18451	2.5
420.18924	4.0
437.19571	2.5
438.19855	4.1
447.18280	4.8
453.19397	1.2
457.18417	2.2
465.19138	10.1
491.20374	2.9
509.21857	1.4
521.21277	1.5
551.22620	4.0
568.23822	2.3
586.25214	3.1
699.27380	3.1
716.29138	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.8
57.03436	0.8
67.05505	4.4
69.07066	1.0
71.55099	1.2
79.05502	4.4
81.03413	1.5
81.07047	3.4
83.08617	0.8
87.04475	2.1
91.05481	3.1
92.05826	1.1
93.07031	3.8
95.04996	0.9
95.08596	3.4
103.16211	0.8
105.07026	2.6
107.08601	2.1
109.10204	0.7
117.07027	2.9
119.08590	2.3
121.10144	2.5
125.09583	0.8
127.72105	0.9
129.06967	0.9
131.08591	2.0
132.40193	0.7
133.10123	1.1
143.08592	0.9
144.52139	0.9
161.13284	0.9
195.09120	1.1
201.83701	0.8
204.06641	1.4
223.12241	1.6
224.12910	0.9
224.51402	0.8
225.10364	0.9
225.13867	5.2
226.14517	1.2
237.10236	1.0
237.13895	3.3
237.19052	0.7
239.15457	1.1
249.13919	1.6
251.08241	2.0
273.18591	1.1
306.84186	0.8
321.08646	0.8
337.12000	1.2
347.21786	1.1
348.22577	1.1
351.25308	1.6
366.23346	1.0
373.15887	0.9
399.19611	1.1
403.15094	1.7
405.21024	1.6
417.17010	4.3
418.17706	4.0
429.17087	1.2
431.18576	3.3
432.19348	3.7
433.20102	4.6
444.66791	1.1
445.15854	1.7
445.20947	1.7
447.21991	14.2
448.22647	1.4
459.21832	1.9
461.19064	1.6
473.19302	0.9
474.20377	2.0
475.21356	30.6
476.22015	5.9
487.21295	3.3
489.22906	2.3
503.20633	4.6
519.23651	2.8
521.25659	1.3
533.25635	1.5
535.23431	25.3
536.23871	1.0
547.23193	3.2
549.24689	2.9
561.24994	17.4
562.25507	4.7
563.27063	4.5
567.26038	1.3
579.25311	1.5
589.24139	1.7
590.25311	1.1
607.25708	1.7
621.27155	36.2
622.27905	100.0
623.28241	6.6
654.30145	5.4
698.45868	1.0
701.33411	8.5
716.48059	2.2
726.89813	1.1
733.35138	1.7
751.36737	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	751.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	4.7
58.99852	1.9
60.36760	0.9
60.62828	1.1
69.03428	1.1
70.98119	1.0
71.12701	1.9
71.13035	1.7
71.23460	1.2
78.02576	1.2
84.96028	1.5
89.03918	3.2
91.05460	1.5
98.97586	8.5
101.00876	8.0
110.97581	2.2
113.00846	2.0
116.98651	1.4
117.03363	6.0
119.01920	14.7
119.04901	2.3
121.14569	1.1
127.02438	2.8
127.03943	1.5
128.98592	2.4
131.01907	6.3
143.00188	1.8
143.01900	19.1
145.02780	37.8
147.01395	2.2
147.04405	8.9
149.05960	1.8
155.01891	12.9
157.03494	6.6
158.99611	2.6
159.65889	1.2
161.01387	1.7
161.02959	17.5
163.03902	2.0
167.01927	6.4
169.03508	3.1
170.99632	3.4
171.01305	1.4
173.02969	15.0
177.05473	100.0
178.05679	1.9
179.01918	3.9
182.99698	1.7
185.02960	20.9
187.04512	2.3
189.00763	1.8
191.03979	1.6
194.04312	2.8
197.02904	8.6
201.00671	6.0
201.02376	1.5
203.03964	6.6
213.02399	1.4
215.04025	5.0
217.03445	4.7
219.01624	5.3
220.02197	4.7
221.02893	5.1
221.04933	2.4
223.04517	1.5
227.03966	5.1
233.01454	1.8
233.05023	1.4
234.03792	2.5
235.04536	19.4
237.02832	2.3
238.03131	1.8
239.02051	5.5
243.01791	2.7
244.02336	2.7
245.05084	48.5
246.05499	1.7
253.05629	3.8
256.02005	1.8
257.02902	1.5
257.05231	3.4
259.04642	16.0
261.02750	7.6
262.03204	6.7
263.03745	1.5
263.06174	5.7
271.04123	6.4
271.06699	4.1
273.02475	1.6
273.06055	2.3
275.02347	2.3
275.06219	5.7
277.05792	11.4
279.03937	1.8
281.03293	2.0
287.04135	3.5
289.05606	2.4
291.03760	2.7
291.07104	3.8
293.04422	1.2
293.82559	1.1
295.06705	25.2
296.06665	1.6
299.03940	10.1
305.07196	3.7
309.08380	2.5
313.07663	4.8
314.14447	1.2
317.04959	4.9
319.06595	3.7
321.04993	2.1
321.08243	1.5
331.06625	3.4
335.08487	1.8
337.07584	7.3
345.04401	2.0
359.04761	4.2
361.07849	2.2
365.09644	6.7
373.04025	4.6
377.05664	5.1
379.08774	12.2
381.07156	5.0
389.07153	1.3
391.04993	13.0
395.06653	2.3
397.09897	8.1
409.06213	6.0
419.08109	2.1
421.09445	1.7
427.07498	8.1
433.06085	8.2
435.07813	1.7
451.07111	20.8
455.07700	1.4
461.09192	7.3
463.07104	4.0
469.08206	14.6
479.10101	5.2
481.08362	6.7
487.09598	1.6
493.08261	1.8
499.09326	1.9
511.09283	2.6
529.09894	2.8
535.09076	4.7
539.11163	2.3
545.11829	8.5
553.10419	14.3
557.11615	1.8
559.14911	5.0
571.11389	8.3
587.10999	2.3
589.12439	3.0
715.15088	4.6
733.16058	4.8
751.17474	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	750.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
55.01877	1.6
55.05267	1.0
55.05512	14.4
57.03447	4.9
57.07081	1.7
60.05647	0.9
61.02918	1.5
65.03934	3.8
67.05508	69.4
69.07069	13.0
69.68589	0.9
77.03938	1.0
79.05495	42.6
81.07061	76.1
83.04979	2.4
83.08624	9.3
85.06548	2.6
87.04494	0.8
91.05487	23.6
92.41000	0.8
93.07047	48.3
95.04971	2.6
95.08609	58.8
97.06529	6.4
97.10175	5.2
99.08113	1.4
105.04533	1.3
105.07034	16.6
105.68127	0.8
107.07874	1.3
107.08604	25.4
109.10158	20.0
109.10918	0.9
111.08083	2.7
117.05496	5.6
117.07027	5.5
119.08590	14.4
121.10146	29.9
122.10523	0.7
123.08077	2.0
123.11719	6.7
131.08571	11.9
133.10123	10.1
135.11699	19.2
137.09694	1.2
137.13271	1.4
145.10085	7.6
147.11703	8.7
149.09673	0.9
149.13275	7.3
151.11203	1.2
151.14796	0.9
153.12830	1.2
157.47066	0.8
159.11708	6.9
161.13264	7.8
163.14815	3.1
165.12724	1.6
173.13275	5.3
175.14828	3.3
177.12785	1.1
179.14296	1.8
180.02849	0.9
187.14842	2.5
201.16377	1.3
217.58707	0.8
233.22572	1.3
243.21173	3.9
261.22150	16.6
279.23178	4.5
303.23203	4.0
317.24686	1.0
321.20734	1.3
321.24234	16.8
335.25882	6.3
377.26889	3.1
395.27939	100.0
396.28278	2.7
423.17056	1.0
437.29062	3.0
634.42731	0.8
655.48950	3.1
715.51428	87.9
716.51459	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	750.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.01867	2.2
55.05516	12.8
56.51255	1.1
57.03431	6.3
57.07066	2.0
65.03946	2.9
67.05511	50.0
69.03414	1.2
69.07072	12.9
71.04969	2.7
71.08620	1.5
71.56630	2.0
74.09709	1.5
79.05499	36.0
81.03410	3.4
81.06583	2.3
81.07065	47.4
83.04980	5.1
83.08626	7.9
85.06532	3.5
87.04501	5.5
91.05488	62.7
93.07050	39.9
95.04958	5.2
95.08614	29.7
95.53361	1.2
97.06512	4.6
97.10172	3.2
99.08100	1.9
103.05480	1.1
105.07047	33.6
107.04944	2.9
107.08599	17.4
109.06509	2.3
109.10164	7.7
111.08076	3.4
111.88677	1.3
115.05459	3.0
117.07014	19.2
119.08599	26.5
121.06473	2.1
121.10149	19.0
123.08108	2.0
123.11718	2.2
125.09644	1.8
128.06203	1.2
129.07034	5.9
131.04897	1.2
131.08578	31.5
133.10139	23.7
135.08046	7.8
135.11711	10.0
137.09608	3.5
138.16840	1.2
139.11182	1.4
141.06996	2.4
143.08546	3.0
145.10136	19.9
147.08064	1.6
147.11702	12.8
148.40056	1.0
149.09627	7.1
149.13237	3.5
151.11104	1.4
155.08633	1.7
157.10136	6.8
159.11713	12.4
161.09683	1.4
161.13263	4.2
163.11172	4.8
163.14922	1.9
165.97763	1.2
169.10083	3.4
171.11655	6.9
173.13277	6.7
173.57092	1.3
174.08432	1.1
175.11142	1.6
177.12753	8.2
183.11746	4.4
193.12315	1.2
195.13803	1.5
197.13248	2.6
211.14893	1.6
229.19560	1.7
239.17928	4.2
247.20607	1.5
257.18967	7.7
267.15829	1.6
275.20074	28.0
293.21188	1.8
313.27347	2.3
314.27594	1.3
331.22662	1.7
349.23749	100.0
350.24118	1.7
351.25128	1.9
367.24808	7.3
400.45596	1.2
423.27350	9.0
441.22672	1.6
441.28549	28.6
514.78253	1.4
515.57086	1.3
623.28186	1.4
623.42957	2.5
641.44110	7.9
697.46582	8.8
715.47766	38.7
716.47687	1.9
750.49762	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	750.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
55.01868	2.6
55.05301	1.0
55.05513	9.8
57.03437	5.5
57.07064	3.8
65.03934	2.2
67.05508	46.6
69.06775	1.1
69.07073	12.8
71.04990	3.4
71.54958	1.9
71.55339	1.4
74.09702	3.7
79.05496	41.4
81.03411	2.9
81.06581	2.4
81.07059	43.9
81.68181	1.1
83.04986	3.1
83.08610	8.6
85.06551	3.1
87.04482	8.0
91.05487	60.8
93.07047	42.5
93.61796	1.1
95.04971	5.6
95.08613	25.1
97.02901	1.1
97.06514	6.3
97.10168	3.1
99.08096	1.7
103.05443	1.5
105.04503	1.9
105.07034	32.3
107.04951	2.6
107.08600	16.5
109.06519	2.2
109.10159	8.3
111.08075	3.5
115.05454	1.7
117.07014	15.4
119.08587	28.8
121.09331	1.3
121.10151	17.5
122.10486	1.2
123.08096	2.5
125.09574	2.1
129.07022	5.8
131.08578	32.7
133.10138	24.4
135.08057	9.0
135.11687	9.7
137.09608	3.1
141.06982	3.1
143.08577	4.7
145.10136	18.1
147.08043	2.4
147.11696	11.8
149.09630	7.1
149.13266	5.1
151.11183	1.3
155.08565	2.4
157.10130	4.7
159.11716	11.2
161.13222	4.4
163.11174	5.2
165.12723	1.2
169.10173	1.7
171.11717	7.0
173.09743	1.2
173.13260	5.1
175.11218	1.8
177.12740	8.1
183.11681	3.6
184.07413	1.3
193.12251	1.7
197.13298	3.3
229.19508	1.6
232.69368	1.2
239.17896	3.5
247.20735	1.3
254.09494	1.2
257.19052	6.8
275.20096	27.8
279.44153	1.2
293.20895	1.3
301.78342	1.2
313.27600	2.7
331.22870	1.5
349.23749	100.0
350.23865	2.8
367.24588	6.8
423.27438	8.7
437.01913	1.2
441.28516	24.3
622.27783	1.9
623.28082	3.6
623.42755	1.9
641.44708	7.0
697.47357	6.4
715.47839	36.4
716.48047	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01866	3.1
55.05516	13.3
67.05522	3.4
69.03436	1.6
71.01353	1.3
74.09724	3.0
74.99341	1.3
79.05492	6.4
81.03423	3.8
81.07072	3.8
83.04995	21.9
85.02905	1.7
85.86504	1.4
91.05479	11.6
93.07072	6.6
95.04974	6.2
95.08619	2.7
99.04436	1.8
103.05482	54.8
104.05764	2.9
105.03432	1.9
105.04530	2.0
105.07047	13.4
105.37684	1.2
107.04936	1.7
107.08624	6.6
109.06507	3.0
109.10166	2.7
109.63312	1.5
111.04483	2.0
111.08054	1.8
112.52508	1.4
115.05459	5.3
116.06239	1.6
117.07044	10.7
119.04958	2.2
119.08577	13.2
121.06524	3.9
121.10146	3.8
123.08077	1.6
125.06005	2.1
126.09155	3.5
128.06232	3.7
129.07018	3.9
131.04942	100.0
131.08575	10.8
132.05298	6.6
133.06491	5.4
133.10158	10.0
135.08032	5.3
137.05994	2.0
141.06967	3.4
142.07762	4.0
143.08614	9.0
145.06494	9.3
145.10146	8.5
147.08070	6.3
149.06001	2.2
149.09651	5.0
153.06953	2.0
155.08563	5.3
156.09349	8.7
157.06615	1.6
157.10158	13.9
159.08081	6.9
159.11705	6.9
161.05954	9.7
161.09662	7.1
163.07497	6.9
163.11177	5.5
165.07028	3.8
167.08574	3.5
168.09300	1.9
169.10121	8.7
170.10898	6.4
171.08061	6.4
171.11719	21.8
172.08762	1.8
173.06181	1.9
173.09660	11.5
173.13281	3.4
175.07562	4.5
176.08286	2.0
177.09143	17.0
179.08559	2.4
181.10143	3.5
183.08047	2.4
183.11716	24.0
184.08897	3.5
185.09642	6.2
185.13252	13.4
187.07541	2.7
187.11208	4.8
189.09079	4.6
191.10701	3.4
193.08611	3.4
193.10164	3.8
194.10936	1.5
195.07999	2.3
195.11711	6.4
197.09642	7.3
197.13254	4.5
198.10349	4.1
199.11191	9.1
200.11853	2.4
201.09105	2.9
201.12715	4.5
203.10715	2.7
205.12318	2.8
206.10956	2.3
207.11691	4.9
209.13306	2.6
210.10251	1.7
211.11220	7.4
213.09303	2.0
213.12766	28.1
215.10614	2.4
217.08604	2.1
219.11810	3.1
220.12566	2.1
221.09605	1.7
221.13272	4.9
223.11192	3.7
225.09122	2.5
225.12761	2.0
227.10667	2.6
229.10289	2.1
229.12312	3.3
231.10056	2.9
231.13773	3.1
233.13364	2.1
234.14014	1.7
235.11314	2.4
237.12633	2.0
241.12303	3.2
243.11842	1.9
243.13928	4.5
244.12549	2.6
245.11502	1.8
245.15508	5.4
246.14072	1.7
247.11122	2.6
247.15005	3.0
249.12601	1.6
249.16403	3.0
251.14305	1.8
255.13905	1.9
258.13989	2.3
259.15082	1.7
260.12003	1.8
261.12830	1.5
261.16367	2.4
263.14194	2.5
265.15948	1.8
267.14160	1.7
270.14014	1.8
272.15628	2.5
273.12344	2.3
273.14835	21.6
275.12729	1.9
275.17960	1.6
277.15848	2.5
282.14200	2.4
285.16403	1.6
287.14346	2.9
296.77032	1.5
299.14154	1.9
301.15778	3.0
303.13864	1.5
303.17380	2.1
309.18399	2.2
315.13528	1.6
315.17310	3.5
319.16870	4.0
331.16925	2.8
333.18451	3.6
337.17953	2.7
343.17017	3.7
345.18500	2.3
357.18478	5.0
361.17944	5.5
363.19385	1.8
369.20541	5.1
373.18027	1.8
375.19739	6.6
385.18121	2.2
389.21338	2.0
391.19110	1.8
403.19275	6.6
405.20651	2.5
407.22467	2.7
417.20468	8.1
421.19983	3.6
435.21606	18.8
449.23108	3.9
453.22833	5.8
465.22861	3.1
467.24670	8.5
469.25644	2.2
486.20413	1.7
535.26770	5.2
549.28259	1.8
567.29407	6.1
569.27698	2.0
573.63385	1.9
601.30243	2.0
683.32422	7.7
701.33673	2.1
715.34900	16.5
750.29932	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.01878	2.9
55.05265	3.6
55.05516	54.2
56.90464	2.3
67.05510	4.0
70.06590	6.0
79.05496	6.2
81.03445	3.0
81.07082	4.5
83.01365	2.6
83.04989	100.0
84.04474	2.3
85.06489	2.1
86.25916	2.4
88.72956	2.7
91.05478	18.5
93.07039	7.5
95.04967	5.7
95.08627	4.0
96.04527	2.5
98.20712	4.2
100.07635	4.0
103.05481	8.0
104.07151	3.1
105.07025	19.2
107.08601	8.8
107.60760	2.3
109.06503	3.1
109.10153	3.2
110.49279	2.6
115.05424	7.2
116.07088	3.5
117.07005	16.2
119.08588	13.2
121.06519	4.3
121.10169	4.4
124.74029	2.3
125.41705	2.2
128.06230	4.4
129.07027	7.6
130.07726	3.7
131.04922	14.6
131.08589	14.2
132.05354	3.6
133.06497	9.7
133.10141	10.0
135.08043	4.5
141.07089	3.6
142.07811	7.5
143.08521	11.8
145.06488	21.6
145.10153	13.6
146.08110	4.2
147.08067	12.6
147.11679	2.7
149.09630	8.8
155.08556	8.9
156.09343	10.2
157.10165	20.0
159.08054	10.7
159.11697	3.8
161.05981	15.8
161.09656	10.8
163.07472	12.1
163.11179	6.4
165.07031	4.3
167.08554	5.3
168.06548	3.5
168.09271	3.0
169.10146	11.2
170.10941	7.7
171.08058	5.9
171.11700	44.2
173.06017	10.2
173.09628	14.1
173.13297	3.1
175.07605	4.3
177.09151	5.4
181.10127	6.0
182.10947	2.9
183.08084	5.0
183.11703	34.4
185.09618	9.1
185.13283	35.2
187.11185	7.8
189.05527	4.9
189.09128	11.5
191.07149	3.7
191.10660	3.3
193.10181	3.1
194.10950	2.6
195.11708	7.2
197.09677	6.4
197.13200	6.9
198.10333	3.5
199.11157	16.4
200.11894	3.5
201.09123	2.8
201.12680	6.1
205.12173	2.9
207.11694	6.1
209.09631	2.9
211.11237	12.1
213.09145	4.7
213.12747	29.1
215.10593	4.0
217.10240	3.4
219.11751	3.6
221.09695	2.9
221.13283	10.0
223.11134	4.3
227.10712	3.9
229.12238	5.0
231.13795	3.4
232.12216	2.4
235.14822	3.8
237.12724	3.2
241.12271	6.2
243.13882	9.1
244.12483	4.3
245.13416	3.4
245.15431	17.8
246.14073	3.4
247.11118	3.5
247.14961	3.7
255.13962	5.4
257.13260	3.6
258.14047	3.3
261.12802	4.1
267.11465	3.4
270.10791	3.1
270.13849	3.8
271.14871	3.7
272.12088	4.2
273.14752	17.7
285.12622	5.9
286.13531	3.5
287.14352	4.1
289.15302	2.4
299.14328	3.5
301.15872	2.8
311.14142	2.8
313.15878	3.6
315.17349	8.0
325.15851	5.1
326.16895	2.7
327.13855	3.0
327.17462	4.4
329.15396	3.7
329.18909	3.4
330.11633	2.5
331.16904	16.3
333.18524	4.5
339.17627	4.0
343.16962	17.1
347.20078	4.0
357.18597	17.1
361.17960	7.5
367.17276	3.4
373.17996	4.7
375.19394	13.0
385.17795	13.1
388.60547	2.6
389.21173	4.1
403.19016	18.3
405.20706	13.3
407.22318	3.7
417.20633	29.5
435.21744	33.8
453.22754	8.3
477.23126	6.5
481.22583	2.9
495.23834	10.6
517.25891	3.2
524.95483	2.8
537.24988	5.8
555.25952	9.5
623.27979	4.8
637.30127	21.6
715.12109	2.7
750.32648	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	750.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
53.18855	1.9
55.01862	6.4
55.05517	11.0
58.46626	2.0
67.05520	5.0
69.03118	2.5
69.03429	20.8
69.07066	3.6
69.24059	21.1
70.06580	8.3
72.08141	2.6
79.05492	8.8
81.03428	3.8
81.07044	6.3
82.02926	3.5
83.04989	10.5
85.02943	2.6
86.06073	2.6
91.05478	18.5
93.07039	7.4
95.04983	10.7
95.08609	3.6
98.06059	15.5
98.21664	3.5
103.05470	54.0
104.05801	8.4
105.03391	5.3
105.07036	23.6
107.04948	4.8
107.08606	5.8
109.06528	4.3
109.10149	3.4
115.05443	9.1
116.06207	2.3
117.07008	14.8
119.04957	3.5
119.08596	18.6
121.06487	2.5
124.07543	3.3
128.06213	5.5
129.07025	10.0
131.04935	100.0
131.08595	13.4
132.05258	27.0
133.06488	10.8
133.10120	9.9
135.08066	6.8
141.07034	3.8
142.07768	5.3
143.08575	12.6
145.06474	20.7
145.10118	9.6
147.08073	10.8
149.09610	6.1
152.06161	2.5
154.07811	2.9
155.08530	8.2
155.87325	2.3
156.09314	7.8
157.06503	3.7
157.10130	17.6
159.08096	12.5
159.11673	3.7
160.08774	2.1
161.05980	21.4
161.09602	12.4
163.07541	6.7
163.11142	3.3
165.07011	3.8
166.07678	4.2
167.08597	3.1
168.06596	4.2
168.09288	2.5
169.06467	2.4
169.10161	14.8
170.10844	6.9
171.08070	8.9
171.11697	36.7
172.06027	2.6
173.06000	12.0
173.09633	10.8
173.13342	3.4
175.07536	4.3
175.11223	2.4
177.09128	7.4
179.08502	3.8
181.10118	7.7
182.10861	3.4
183.08115	4.2
183.11708	34.6
184.08813	3.1
185.09586	7.4
185.13264	24.9
187.07562	4.7
187.11183	4.2
189.09102	8.1
191.06998	3.1
192.09297	2.3
193.10161	5.8
195.11710	8.4
197.09700	10.6
197.13225	7.0
198.10295	4.9
199.07556	3.3
199.11148	11.9
200.11554	3.3
201.09116	6.2
201.12712	3.0
205.10222	2.9
205.12119	2.4
206.10716	3.2
207.11650	8.8
209.09549	3.6
209.13240	3.2
211.11147	10.4
213.09119	5.2
213.12767	23.7
214.09308	2.5
215.10545	4.3
217.10374	2.4
218.10904	2.8
219.11778	2.7
221.09583	2.6
221.13202	4.6
223.11150	6.9
225.09068	3.5
225.12895	2.5
229.10268	3.6
229.12262	3.7
231.11836	3.9
231.13763	4.6
232.12511	2.9
234.10493	3.3
234.13916	2.7
235.14772	5.2
237.12746	3.0
241.08456	2.7
241.12193	5.1
243.13829	5.0
245.13216	8.0
245.15425	14.2
246.14001	2.8
247.14868	5.2
249.12721	4.1
255.13905	4.3
256.12564	3.1
257.08066	9.3
257.13452	3.3
258.08414	6.4
258.14023	4.6
259.09430	3.3
259.15073	4.6
263.10788	2.7
263.14200	2.4
267.11606	4.1
268.12555	3.0
269.13208	2.6
270.14090	4.5
271.14874	5.0
272.15622	3.2
273.14850	5.0
275.14688	2.3
281.13272	4.5
282.14182	3.7
283.14966	5.4
285.12836	3.9
285.16333	5.0
286.16699	2.9
287.14478	3.8
287.17960	4.2
297.12848	2.8
297.16367	5.8
299.14212	6.7
299.17706	3.4
300.15112	3.7
301.10727	4.7
301.15787	4.6
301.19272	2.6
302.11011	3.1
303.17303	4.1
313.15836	3.9
315.17435	9.1
317.15387	3.1
319.16849	2.9
325.15897	6.5
327.17340	3.2
329.18942	3.5
331.16940	7.5
333.18439	2.6
339.17300	4.4
343.16922	8.6
344.13525	2.3
344.17560	2.7
355.16873	3.3
357.18402	10.7
371.19867	2.4
373.18069	2.9
375.19485	5.6
385.17938	8.3
387.19467	2.6
389.21063	5.6
399.19684	6.4
403.18976	9.0
404.15466	2.6
405.20514	7.7
417.20633	29.7
426.24448	3.2
428.22476	3.0
435.21606	21.3
442.23752	3.4
453.22839	3.0
454.23676	8.1
464.18137	3.3
472.25046	14.5
477.22849	10.5
490.25848	5.6
495.24063	5.2
503.24457	4.4
509.25537	2.4
532.26624	5.7
537.25171	2.9
550.27765	5.8
581.26941	3.4
609.27429	2.9
623.28693	15.9
632.31793	3.7
637.29742	6.5
641.29321	4.7
655.31390	15.6
750.28888	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.01880	1.3
55.05503	3.9
57.03446	4.9
57.07081	8.9
61.02926	5.4
67.05507	11.4
69.03443	5.1
69.07078	3.2
71.01371	0.9
71.04997	2.8
71.08636	5.7
73.02934	5.0
79.05494	5.6
81.03420	16.8
81.07064	11.1
83.05009	1.8
83.08626	6.3
85.02894	7.5
85.10195	2.4
87.04485	1.0
91.03956	3.1
91.05486	5.7
93.07061	6.1
95.04963	6.4
95.08611	8.6
97.02893	6.2
97.06537	1.0
97.10180	1.7
99.04480	1.3
101.02398	2.0
105.07040	5.1
107.04955	2.3
107.08626	3.6
109.02905	1.8
109.10177	4.7
111.04456	1.4
111.08116	1.3
115.03963	0.7
117.07086	1.2
119.08608	3.5
121.10176	3.1
123.04514	0.9
123.11726	1.9
127.03990	1.8
129.07030	1.6
131.04965	1.5
131.08594	2.9
132.99611	0.7
133.10168	1.9
135.11743	2.7
137.09633	1.2
142.07768	0.9
145.10130	2.0
147.04507	0.7
147.11754	1.5
157.10118	1.1
159.11705	1.1
161.13257	1.0
175.11290	1.5
191.00153	0.8
193.12279	8.5
229.14699	1.0
235.13345	0.9
236.42111	0.8
239.23756	2.6
243.08528	2.3
249.14912	1.6
253.14185	2.3
267.15939	17.6
309.16922	1.2
313.27420	17.1
316.37653	0.7
335.26376	0.8
381.27789	1.2
382.28577	0.9
471.22058	5.2
493.17770	3.3
505.38919	11.9
519.29504	7.1
539.28821	1.2
547.39978	1.2
749.44501	100.0
750.44403	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	749.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.7
54.14852	1.1
55.01859	1.5
55.05513	8.6
67.05495	4.1
69.03432	2.3
69.07059	2.0
70.61060	0.9
79.05504	5.5
81.03420	2.5
81.07052	3.0
83.01337	1.1
83.04976	13.3
85.02872	0.9
91.05488	10.8
93.07050	7.6
95.04967	5.4
95.08630	2.5
97.02941	1.3
97.06508	1.7
100.07619	2.0
101.02347	1.8
103.05473	48.6
105.07045	13.1
107.04940	2.2
107.08612	5.2
109.06523	2.4
110.02866	1.1
111.04436	1.4
115.05474	2.9
116.06228	1.2
117.07027	6.9
117.76894	0.9
118.66331	1.0
119.04910	2.0
119.08591	9.9
121.02906	1.1
121.06513	4.9
121.10169	2.1
123.04465	1.3
123.08065	3.5
128.06223	2.9
129.07016	3.8
130.07759	1.3
131.04933	100.0
131.08543	8.6
133.06517	4.9
133.10138	10.3
133.50948	1.0
135.08051	6.6
137.06010	1.7
141.06999	3.2
142.07799	2.8
143.08565	8.2
145.06454	5.1
145.10129	11.7
146.08118	7.7
147.08046	6.8
149.05997	2.0
149.09589	4.0
153.07033	1.6
155.08549	5.0
156.09348	5.6
157.06483	2.3
157.10167	10.9
159.08060	7.2
159.11731	4.2
160.08842	1.3
161.05966	6.9
161.09595	5.0
163.07564	8.5
163.11198	4.7
165.07019	2.4
167.08530	2.1
168.09331	1.2
169.10161	5.6
170.10970	3.9
171.08070	5.0
171.11693	13.1
172.08867	1.5
172.12122	1.1
173.05917	1.7
173.09677	10.2
173.13324	1.5
175.07559	2.8
175.11221	4.0
177.05507	2.2
177.09175	2.0
179.08583	3.4
181.10141	3.5
182.10910	1.7
183.08051	3.5
183.11685	13.0
185.09682	6.6
185.13257	9.7
186.10435	1.8
187.07549	3.0
187.11139	5.3
189.09071	2.9
191.08691	1.8
193.10133	3.7
195.08055	2.0
195.11699	5.6
196.12389	1.1
197.09622	6.2
197.13278	2.9
198.10417	3.6
199.07571	3.1
199.11157	10.5
200.11981	2.9
201.09093	3.9
201.12756	3.4
202.92267	1.2
205.08563	2.0
205.12207	2.6
206.10898	3.7
207.11638	4.9
208.12479	1.9
209.09628	3.3
209.13301	2.5
211.07497	1.2
211.11182	6.6
213.09111	3.7
213.12717	21.7
214.13481	1.6
215.10712	3.7
217.08525	2.5
218.10966	1.4
219.11763	2.6
220.12514	3.1
221.09799	1.2
221.13297	5.1
222.14001	1.2
223.11250	4.7
223.14760	2.0
224.11975	1.7
225.09155	3.4
225.12772	3.4
227.10692	1.9
229.08459	2.2
229.12230	1.7
231.11833	1.6
231.13742	1.6
232.12474	2.2
233.09663	2.2
233.13304	3.4
234.14084	2.9
235.11169	2.5
235.14883	5.3
236.12103	1.4
237.09122	1.3
237.12782	2.9
237.16455	1.4
239.10660	2.5
241.12279	4.1
243.13826	2.3
244.12454	1.9
245.07921	2.7
245.13303	2.8
245.15398	3.0
246.14026	1.2
247.11314	1.3
247.14813	4.5
248.11917	2.3
249.12836	2.7
249.16319	4.1
251.10771	1.1
251.14317	2.0
253.12320	2.1
254.10934	1.4
256.41214	1.2
257.08112	2.4
257.11572	1.7
258.14011	2.6
259.11243	2.1
259.14731	3.5
260.11935	2.2
261.12778	3.3
261.16302	2.9
262.13480	2.9
263.11185	1.0
263.14270	3.9
265.12299	1.5
265.15872	2.9
271.14685	2.3
273.12564	1.5
273.14832	10.1
275.14575	2.5
277.12228	1.4
277.15860	3.8
281.15631	1.8
285.16357	2.0
286.13467	1.5
287.14413	2.3
288.55731	1.0
289.12247	2.1
289.15857	3.0
291.17307	3.2
293.15332	3.4
295.16934	4.1
299.14276	1.3
300.15494	1.1
301.15778	2.3
303.17337	2.3
307.16727	2.1
309.18420	4.7
313.15964	2.1
315.17551	1.9
317.15353	3.6
319.16931	4.3
327.17374	1.5
329.15265	1.9
331.16907	4.0
333.14868	2.1
333.18457	2.5
335.16403	2.3
337.17969	6.4
341.15402	1.5
343.16959	2.5
347.16437	2.6
347.20349	1.7
349.17990	2.2
351.19580	4.5
353.21201	1.6
355.16888	1.7
359.16418	2.9
361.18076	3.4
363.19592	1.4
369.20731	6.8
373.17938	5.1
375.19440	3.1
377.17575	5.9
379.18692	1.2
385.17776	1.3
389.17255	1.7
391.19009	11.2
395.18466	4.2
401.17465	4.9
403.19073	2.3
405.20712	1.8
407.18271	1.1
409.20218	5.9
417.20746	2.8
419.18549	10.2
421.19998	1.7
423.21780	1.6
427.20963	2.2
433.20044	3.3
435.21545	4.1
437.19180	5.0
439.21191	1.2
451.20920	12.0
453.22870	1.7
463.17645	1.3
469.22220	25.7
471.23926	1.3
483.23618	1.3
501.24826	34.0
544.97858	1.2
569.27490	4.4
572.90723	1.2
590.92065	1.1
601.30426	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	749.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.7
54.14852	1.1
55.01859	1.5
55.05513	8.6
67.05495	4.1
69.03432	2.3
69.07059	2.0
70.61060	0.9
79.05504	5.5
81.03420	2.5
81.07052	3.0
83.01337	1.1
83.04976	13.3
85.02872	0.9
91.05488	10.8
93.07050	7.6
95.04967	5.4
95.08630	2.5
97.02941	1.3
97.06508	1.7
100.07619	2.0
101.02347	1.8
103.05473	48.6
105.07045	13.1
107.04940	2.2
107.08612	5.2
109.06523	2.4
110.02866	1.1
111.04436	1.4
115.05474	2.9
116.06228	1.2
117.07027	6.9
117.76894	0.9
118.66331	1.0
119.04910	2.0
119.08591	9.9
121.02906	1.1
121.06513	4.9
121.10169	2.1
123.04465	1.3
123.08065	3.5
128.06223	2.9
129.07016	3.8
130.07759	1.3
131.04933	100.0
131.08543	8.6
133.06517	4.9
133.10138	10.3
133.50948	1.0
135.08051	6.6
137.06010	1.7
141.06999	3.2
142.07799	2.8
143.08565	8.2
145.06454	5.1
145.10129	11.7
146.08118	7.7
147.08046	6.8
149.05997	2.0
149.09589	4.0
153.07033	1.6
155.08549	5.0
156.09348	5.6
157.06483	2.3
157.10167	10.9
159.08060	7.2
159.11731	4.2
160.08842	1.3
161.05966	6.9
161.09595	5.0
163.07564	8.5
163.11198	4.7
165.07019	2.4
167.08530	2.1
168.09331	1.2
169.10161	5.6
170.10970	3.9
171.08070	5.0
171.11693	13.1
172.08867	1.5
172.12122	1.1
173.05917	1.7
173.09677	10.2
173.13324	1.5
175.07559	2.8
175.11221	4.0
177.05507	2.2
177.09175	2.0
179.08583	3.4
181.10141	3.5
182.10910	1.7
183.08051	3.5
183.11685	13.0
185.09682	6.6
185.13257	9.7
186.10435	1.8
187.07549	3.0
187.11139	5.3
189.09071	2.9
191.08691	1.8
193.10133	3.7
195.08055	2.0
195.11699	5.6
196.12389	1.1
197.09622	6.2
197.13278	2.9
198.10417	3.6
199.07571	3.1
199.11157	10.5
200.11981	2.9
201.09093	3.9
201.12756	3.4
202.92267	1.2
205.08563	2.0
205.12207	2.6
206.10898	3.7
207.11638	4.9
208.12479	1.9
209.09628	3.3
209.13301	2.5
211.07497	1.2
211.11182	6.6
213.09111	3.7
213.12717	21.7
214.13481	1.6
215.10712	3.7
217.08525	2.5
218.10966	1.4
219.11763	2.6
220.12514	3.1
221.09799	1.2
221.13297	5.1
222.14001	1.2
223.11250	4.7
223.14760	2.0
224.11975	1.7
225.09155	3.4
225.12772	3.4
227.10692	1.9
229.08459	2.2
229.12230	1.7
231.11833	1.6
231.13742	1.6
232.12474	2.2
233.09663	2.2
233.13304	3.4
234.14084	2.9
235.11169	2.5
235.14883	5.3
236.12103	1.4
237.09122	1.3
237.12782	2.9
237.16455	1.4
239.10660	2.5
241.12279	4.1
243.13826	2.3
244.12454	1.9
245.07921	2.7
245.13303	2.8
245.15398	3.0
246.14026	1.2
247.11314	1.3
247.14813	4.5
248.11917	2.3
249.12836	2.7
249.16319	4.1
251.10771	1.1
251.14317	2.0
253.12320	2.1
254.10934	1.4
256.41214	1.2
257.08112	2.4
257.11572	1.7
258.14011	2.6
259.11243	2.1
259.14731	3.5
260.11935	2.2
261.12778	3.3
261.16302	2.9
262.13480	2.9
263.11185	1.0
263.14270	3.9
265.12299	1.5
265.15872	2.9
271.14685	2.3
273.12564	1.5
273.14832	10.1
275.14575	2.5
277.12228	1.4
277.15860	3.8
281.15631	1.8
285.16357	2.0
286.13467	1.5
287.14413	2.3
288.55731	1.0
289.12247	2.1
289.15857	3.0
291.17307	3.2
293.15332	3.4
295.16934	4.1
299.14276	1.3
300.15494	1.1
301.15778	2.3
303.17337	2.3
307.16727	2.1
309.18420	4.7
313.15964	2.1
315.17551	1.9
317.15353	3.6
319.16931	4.3
327.17374	1.5
329.15265	1.9
331.16907	4.0
333.14868	2.1
333.18457	2.5
335.16403	2.3
337.17969	6.4
341.15402	1.5
343.16959	2.5
347.16437	2.6
347.20349	1.7
349.17990	2.2
351.19580	4.5
353.21201	1.6
355.16888	1.7
359.16418	2.9
361.18076	3.4
363.19592	1.4
369.20731	6.8
373.17938	5.1
375.19440	3.1
377.17575	5.9
379.18692	1.2
385.17776	1.3
389.17255	1.7
391.19009	11.2
395.18466	4.2
401.17465	4.9
403.19073	2.3
405.20712	1.8
407.18271	1.1
409.20218	5.9
417.20746	2.8
419.18549	10.2
421.19998	1.7
423.21780	1.6
427.20963	2.2
433.20044	3.3
435.21545	4.1
437.19180	5.0
439.21191	1.2
451.20920	12.0
453.22870	1.7
463.17645	1.3
469.22220	25.7
471.23926	1.3
483.23618	1.3
501.24826	34.0
544.97858	1.2
569.27490	4.4
572.90723	1.2
590.92065	1.1
601.30426	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	749.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.4
55.01856	2.3
55.05516	3.7
57.42723	0.7
60.43615	0.6
66.53857	0.7
67.05487	2.5
69.03411	1.5
69.07060	1.3
77.03924	1.5
79.05483	3.8
81.03417	2.1
81.07043	2.4
83.01334	0.9
83.04985	5.0
85.57426	0.6
91.05482	7.7
93.07027	4.7
95.04983	5.2
95.08614	6.3
97.02930	1.0
97.06546	1.3
98.21545	1.2
103.05468	49.8
105.04485	1.2
105.06392	1.0
105.07035	11.6
107.04926	1.8
107.08581	3.6
109.06509	2.2
115.05456	2.7
116.06212	0.8
117.07008	5.9
119.04952	1.3
119.08583	9.1
121.06519	2.3
121.10165	1.7
123.04452	1.1
123.05362	0.5
123.08084	1.0
128.06238	2.8
129.07010	3.4
131.04927	100.0
131.08565	5.9
132.05272	0.9
133.06512	3.4
133.10132	11.2
135.08040	2.9
141.06995	1.3
142.07826	2.6
143.08557	6.7
144.09303	0.7
145.06468	3.4
145.10118	6.1
147.08018	4.6
147.11690	1.2
149.09613	2.8
151.07550	0.9
153.06993	1.3
154.07806	1.4
155.08527	5.3
156.09351	4.8
157.06477	0.9
157.10127	13.5
159.08052	5.1
159.11691	4.5
161.05965	5.4
161.09613	5.4
163.07552	5.5
163.11197	2.4
165.07005	1.5
167.08621	2.1
168.09410	1.4
169.06422	0.7
169.10124	5.7
170.10921	5.5
171.08009	3.5
171.11690	17.6
173.06013	0.9
173.09615	6.5
173.13226	2.4
175.07527	2.6
175.11200	1.6
177.09105	4.1
179.07043	0.8
179.08562	1.7
180.09325	2.1
181.10115	3.3
182.10939	1.2
183.08115	1.9
183.11688	19.4
184.08925	1.4
184.12398	1.3
185.09665	4.5
185.13252	12.8
187.07463	0.7
187.11182	3.7
189.05478	1.8
189.09129	3.1
191.07053	1.2
191.10686	1.2
192.09364	1.4
193.08636	0.8
193.10150	2.3
194.10895	1.0
195.08148	0.8
195.11761	5.0
196.08832	1.0
196.12447	1.0
197.09579	3.2
197.13208	4.5
198.10440	3.0
199.07481	0.9
199.11159	8.1
200.11977	1.6
201.09128	2.1
201.12691	4.0
203.08789	0.7
203.10718	1.3
205.08424	0.7
205.10245	1.5
205.12296	2.9
206.10954	2.0
207.11693	3.9
208.12358	1.3
209.09659	2.2
209.13344	2.7
210.10472	1.0
211.07727	0.8
211.11234	6.3
213.09166	2.2
213.12747	22.8
215.10727	2.5
217.10353	1.4
217.12187	1.2
218.10948	1.2
219.11699	2.3
220.12462	1.9
221.13248	4.2
222.10394	1.0
222.14117	1.0
223.11140	2.3
223.14905	1.9
224.11981	0.7
224.15622	0.7
224.57748	0.7
225.09146	1.9
225.12677	1.4
227.10793	1.9
229.10310	1.0
229.12299	1.9
229.58696	0.8
230.10872	1.2
231.09909	1.3
231.11768	2.1
231.13884	2.8
232.12360	1.4
233.13275	2.5
233.15372	1.1
234.13867	1.1
235.11165	1.3
235.14801	3.5
237.12822	1.8
237.16260	0.9
239.10640	1.6
239.14212	1.0
241.12265	4.0
243.09814	0.8
243.13867	3.1
244.12566	2.0
245.13242	3.2
245.15446	5.8
246.14114	2.1
247.11230	1.8
247.14940	3.2
248.15558	1.6
249.12845	1.5
249.16431	3.3
251.14420	1.1
251.18005	1.5
255.13931	2.5
256.12488	1.0
257.13260	1.5
258.14102	1.8
259.15219	3.3
260.12085	0.9
260.15698	1.9
261.12830	1.2
261.16428	3.4
263.14252	1.7
263.18173	1.1
265.12537	1.0
269.13275	1.6
271.13464	0.9
272.11957	0.8
272.15607	1.1
273.14761	11.5
274.13480	0.7
274.17212	1.1
275.12546	1.4
275.17896	1.5
276.15070	0.9
277.12418	0.8
277.15955	2.1
278.16666	1.0
279.13943	1.1
284.11740	0.9
285.12720	1.8
285.16302	1.9
287.14404	1.4
287.17886	1.6
289.15829	1.9
291.17294	1.5
297.16226	0.8
299.14377	1.4
300.15112	1.0
301.16040	1.9
302.13071	0.7
302.16669	1.1
303.17377	1.5
305.15466	1.1
313.15811	1.1
314.16608	0.9
315.13998	1.1
315.17487	2.1
317.15485	1.9
318.16397	0.9
319.16949	2.0
320.17786	1.1
321.18646	2.4
322.19287	1.0
323.20139	1.5
327.17618	0.9
329.18842	1.0
331.13562	0.8
331.16907	3.5
333.18539	2.6
334.19412	1.2
335.20151	0.8
337.18243	1.0
339.17413	1.0
343.17001	3.8
345.18674	1.7
347.16391	1.1
347.20108	1.8
349.18127	1.0
351.19641	2.2
357.18402	5.7
359.16589	0.8
361.17987	6.4
363.19354	1.2
369.20728	2.3
373.18005	2.3
375.19507	6.8
381.20718	1.9
385.18054	4.2
391.19009	2.9
393.20642	1.8
403.19034	8.2
405.20667	3.1
407.22131	2.2
409.20007	3.2
417.20645	7.3
421.20190	3.5
423.21814	0.9
435.21634	10.4
437.19727	0.9
441.22827	1.2
451.25290	4.1
453.22525	3.3
469.22247	3.7
501.24829	2.0
509.25015	1.2
511.23734	0.8
511.66931	0.9
565.26740	0.9
569.27002	2.0
569.37732	0.8
583.27374	1.2
601.29437	2.2
714.36914	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3167
Annotation	CHEBI:70177
Peak:m/z	Relative Intensity
53.03935	2.6
55.01885	3.4
55.05508	3.4
57.07078	9.1
67.05499	2.9
69.03421	1.3
70.09293	0.9
70.09604	3.1
72.41755	0.6
74.51540	0.6
77.03880	0.9
79.05504	3.5
81.03423	3.4
81.07061	1.9
83.04993	4.8
84.99660	0.6
85.02917	1.0
85.06557	1.5
91.05493	5.7
93.07051	3.0
95.04977	8.8
95.08602	2.1
97.02910	0.8
98.20779	0.7
101.81271	0.7
103.05475	50.4
104.05799	1.8
105.04501	0.7
105.07038	12.7
107.04952	4.0
107.08598	1.7
109.06522	2.7
115.05419	3.7
117.06989	3.8
119.04936	1.4
119.08555	3.2
121.02826	0.8
121.06513	2.8
123.04392	1.2
123.08045	1.6
125.06011	1.8
128.06201	3.1
129.07005	5.0
131.04936	100.0
131.08551	3.6
132.05251	3.6
133.06502	12.4
133.10172	1.6
135.04417	1.6
135.08098	1.9
137.06001	2.0
141.07016	2.6
142.07750	2.8
143.08560	6.0
145.06505	5.0
145.10138	1.9
147.08052	1.4
149.06000	1.8
149.09605	0.7
151.07535	1.0
153.05540	0.7
153.06970	1.6
154.07796	2.1
155.06126	0.7
155.08580	3.6
156.09383	3.3
157.06534	2.3
157.10158	4.8
158.07266	1.2
159.08073	4.1
159.11697	2.3
161.05995	23.2
161.09637	2.1
163.07556	5.4
165.05667	0.7
165.07056	2.1
166.07826	1.4
167.08591	2.4
168.09325	0.7
169.06514	2.7
169.10152	5.1
170.10866	1.9
171.08102	3.6
171.11703	6.0
173.05968	3.5
173.09595	3.3
173.13286	0.9
175.07578	2.2
177.05556	1.2
177.09117	1.2
178.07816	1.3
179.07024	2.5
179.08618	3.2
181.06512	0.8
181.10141	2.1
182.07289	1.5
183.08035	4.7
183.11703	1.8
184.08844	2.9
185.05969	1.1
185.09583	4.1
187.07597	3.5
187.11230	2.4
189.05544	0.8
189.09132	1.5
191.07014	1.1
193.10127	1.9
194.10934	0.8
195.08089	1.9
195.11662	1.2
196.08803	1.4
197.06015	2.0
197.09630	9.3
199.07506	3.5
199.11182	12.0
201.09201	1.4
203.07034	1.7
205.08627	1.3
206.10785	0.9
207.08070	1.8
207.11734	1.5
208.08812	0.8
209.09584	3.2
210.10428	0.6
211.07594	2.8
211.11185	1.9
213.05573	0.8
213.09126	5.7
213.12735	1.3
214.09813	1.2
215.07060	1.2
215.10707	3.4
217.08618	2.4
217.10394	0.9
219.10114	1.2
221.09712	1.6
223.07574	1.6
223.11179	1.3
224.08339	0.8
225.05640	1.1
225.09117	14.2
225.12482	0.7
227.07066	1.2
227.10693	2.2
229.08594	2.0
229.12305	0.9
233.07935	0.9
235.07628	1.1
235.11365	0.9
237.12711	1.1
239.10742	2.6
241.08583	7.0
243.06546	1.1
243.10046	4.2
245.07848	0.9
247.09587	1.2
249.09288	0.8
251.06877	0.8
251.10689	1.9
251.14011	0.7
253.08699	2.3
253.12404	0.7
255.10204	2.6
257.08063	10.7
257.11652	3.1
258.08658	0.6
259.09497	5.1
261.09097	0.8
263.10712	1.3
267.10220	2.3
269.07996	1.5
271.06790	0.6
271.09732	2.3
272.11798	1.0
274.13416	1.0
275.09152	0.7
279.10046	0.7
283.09402	1.6
285.11087	6.0
287.14355	1.3
289.12064	0.7
291.13907	1.3
301.10687	6.9
303.12119	3.8
303.17419	0.8
309.11786	1.2
313.12201	1.3
315.17719	0.7
321.13571	0.6
325.11792	0.7
329.15338	1.3
331.13208	0.8
331.16959	0.9
333.14557	0.9
339.13443	1.3
341.14896	0.9
343.13385	0.9
347.16330	1.0
357.14777	2.1
367.13370	1.1
373.14316	1.2
375.16010	1.0
377.17645	2.3
385.14224	3.1
387.12665	0.7
387.17996	1.8
391.15424	1.2
393.16916	0.9
401.13770	1.7
403.16641	4.7
405.18192	0.9
413.13889	1.1
415.15424	0.8
417.17001	1.4
418.59860	0.8
419.14819	1.4
421.16547	2.4
431.14914	2.8
433.16541	2.2
437.15466	1.1
445.16580	3.5
449.15836	2.4
451.17273	3.6
463.17615	12.1
472.56888	0.7
481.18628	6.2
505.22159	0.8
533.21399	0.8
535.23505	0.9
547.23108	1.3
551.23242	1.1
553.24390	2.9
565.24377	6.6
583.25372	8.2
611.22620	1.1
629.23743	0.9
671.29419	1.2
713.29407	1.0
749.30487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01868	2.1
55.05506	1.8
57.85507	0.6
65.03947	0.6
65.68524	0.6
67.05520	3.8
69.03432	3.0
69.07059	0.8
70.06565	0.7
71.04999	0.7
72.08161	0.6
77.03930	1.8
79.05495	3.4
81.03430	3.3
81.07057	3.0
83.01324	0.7
83.04977	1.4
83.54704	0.6
84.04504	0.9
85.02924	1.0
87.04420	0.9
91.05489	6.2
93.07056	3.4
95.01347	0.7
95.04436	0.9
95.04979	7.6
95.08620	2.9
97.02915	1.6
97.06523	0.9
99.04458	0.6
103.05478	53.6
104.05801	0.9
105.04520	1.6
105.07037	10.1
107.04958	1.8
107.08620	3.3
109.02841	1.0
109.06528	2.2
109.10169	1.2
111.04436	0.9
113.06005	0.6
114.05535	0.9
115.05464	3.6
116.07085	1.2
117.07022	5.2
119.04945	1.0
119.08573	6.1
121.06499	2.8
121.10155	1.5
123.04450	2.1
125.05988	0.9
128.06239	2.3
129.07034	3.8
131.04938	100.0
131.08548	5.6
132.05287	2.7
133.06497	7.5
133.10150	3.3
135.04373	0.9
135.08031	3.1
135.11653	0.8
137.05984	1.8
137.09796	0.7
139.03920	0.8
141.07001	2.9
142.04987	0.6
142.07759	2.7
143.08574	6.9
144.06583	1.9
145.06468	3.3
145.10138	3.9
147.04494	0.7
147.08087	2.0
147.11732	1.5
149.06026	2.1
149.09657	1.8
151.07567	1.9
153.05498	0.7
153.07010	1.4
154.07817	1.1
155.08543	4.2
156.09326	2.5
157.06528	2.0
157.10144	5.9
159.08072	3.9
159.11687	3.2
161.06003	12.9
161.09628	2.2
161.13258	1.0
161.35715	0.7
163.07585	2.8
165.05557	1.2
165.07025	1.9
166.07809	2.0
167.07263	0.6
167.08580	2.7
168.09334	1.1
169.06470	2.2
169.10146	5.5
170.07323	1.2
170.10899	1.3
171.08054	2.8
171.11719	5.6
172.08783	0.9
172.12086	0.7
173.06061	1.5
173.09665	3.0
173.13229	1.9
175.07565	1.1
175.11296	0.8
175.14796	0.6
177.05402	1.1
177.09116	1.6
179.07065	1.6
179.08574	2.1
180.09308	0.8
181.06596	0.9
181.10162	2.6
182.07288	1.3
183.06557	0.7
183.08040	3.6
183.11736	5.6
184.08858	2.0
184.11990	1.2
185.09657	2.7
185.13248	3.4
187.06024	1.9
187.07576	3.4
187.11234	1.3
187.14810	0.7
189.09125	2.0
189.12839	1.1
193.10139	2.2
195.08105	1.7
195.11673	3.1
196.08844	1.3
196.12221	0.8
197.05959	1.1
197.09610	5.2
197.13295	1.5
198.10503	1.5
199.07541	2.0
199.11205	13.5
199.14880	0.8
201.09288	1.1
201.11008	0.8
203.06941	0.8
203.08653	0.9
205.08574	1.1
207.08041	1.0
207.11815	1.3
208.12451	0.8
209.09631	2.1
209.13203	1.4
211.07616	1.6
211.11205	1.4
211.14917	1.0
213.09138	3.5
213.12823	2.1
215.10718	2.4
217.08609	2.1
217.10413	0.8
220.12363	0.8
221.13365	1.2
223.11218	1.3
225.09119	10.7
225.12679	1.3
225.16357	1.0
227.07014	0.9
227.10704	1.6
229.08444	0.7
233.08051	1.8
234.13661	0.8
237.09167	1.4
237.12878	1.0
239.10692	1.4
239.14365	0.8
241.08536	2.9
243.10185	2.4
245.07921	1.1
246.11243	1.1
247.09735	2.3
247.14906	1.0
248.12056	0.9
249.09064	1.3
253.08420	0.9
255.10114	1.9
257.07779	3.2
257.11749	1.6
259.09698	2.0
263.14404	0.7
267.10175	1.3
269.11874	0.7
271.09659	1.5
285.11133	5.6
287.14273	0.8
289.32394	0.8
292.11932	1.0
293.11862	0.8
299.10452	1.0
301.10730	1.7
303.12204	1.4
313.12479	0.7
319.12643	0.9
329.15170	0.8
331.13272	1.1
331.16922	0.7
343.12973	0.8
355.22733	4.5
359.16461	1.1
373.14081	1.1
375.15738	1.0
377.17523	1.1
381.24539	2.9
385.14355	1.8
387.14468	2.1
395.26004	1.6
399.25488	1.3
403.14243	3.0
405.16013	1.2
413.13577	1.1
421.16235	1.0
423.25476	3.3
431.14798	1.0
441.26419	2.2
449.15781	0.9
463.17593	3.8
463.44974	0.8
469.18768	0.9
481.18658	4.8
499.19415	0.8
515.22540	0.7
535.19531	2.0
551.18365	0.7
563.64899	0.7
565.20587	1.8
569.25659	0.7
583.20972	3.6
585.30096	1.1
713.26465	1.3
717.30682	1.6
749.36682	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01869	1.9
55.05517	3.9
67.05486	1.4
69.03423	1.7
70.06184	0.8
70.06530	3.6
79.05479	3.1
81.03434	1.5
83.04987	6.2
84.05289	0.9
88.88114	0.7
91.05495	6.5
93.07078	1.3
95.04975	6.8
97.02952	1.1
98.21476	0.9
103.05479	50.6
105.04551	1.2
105.07032	7.9
107.04936	1.8
107.08604	1.1
109.06527	1.4
115.05460	3.3
117.07005	2.4
119.04936	1.9
119.08565	2.9
121.06481	3.3
123.04408	1.1
128.06229	2.5
129.06999	3.9
131.04941	100.0
131.08562	4.4
132.05255	1.5
133.06503	6.5
133.10118	1.5
135.08029	1.8
136.68578	0.8
137.05919	0.9
139.03940	1.0
141.07016	2.3
142.07806	1.6
143.08557	3.5
145.06477	3.0
145.10120	1.5
147.08040	2.2
149.05988	2.9
149.09602	0.9
153.05409	0.8
153.06956	0.9
154.07761	1.8
155.08551	2.1
156.09349	1.5
157.06438	2.2
157.10127	1.8
159.08095	5.2
159.11707	1.1
161.05995	9.3
161.09682	2.2
163.07561	2.7
165.07091	1.1
167.08569	1.9
169.06516	2.2
169.10139	3.1
170.10710	1.1
171.07997	2.1
171.11694	3.2
172.11920	1.0
173.05989	1.5
173.09624	1.9
175.07523	1.8
177.09068	1.0
179.07149	1.4
179.08521	1.8
181.10118	1.0
183.08066	3.3
183.11710	1.8
184.12062	1.2
185.05972	1.8
185.09613	2.8
185.13225	1.0
187.07576	5.5
189.05478	1.7
189.09155	1.3
195.08012	1.4
195.11679	1.5
197.09576	4.2
198.10414	1.2
199.07500	2.3
199.11209	3.8
201.09045	1.7
202.07819	1.0
203.07063	1.4
205.08574	2.6
207.08109	1.3
207.11690	1.3
209.09746	1.2
211.07468	0.9
213.09038	2.7
213.12703	1.6
215.06938	2.1
215.10625	1.9
217.08607	2.7
218.10857	0.8
219.10072	1.1
221.13312	1.4
225.09161	11.5
227.06903	0.9
227.10655	1.2
229.08484	1.7
233.08022	2.1
233.21857	0.9
235.09595	1.7
239.10669	1.5
241.08601	2.5
243.10056	1.0
245.07877	1.4
245.13286	1.3
247.09586	6.7
249.09013	1.0
251.10619	1.4
255.10030	1.0
257.07837	3.8
257.11694	1.5
259.09689	1.8
267.10129	1.1
285.11301	3.0
289.66422	0.8
298.14108	0.9
301.10794	2.5
301.15695	0.8
327.13474	1.3
331.16922	1.0
332.24252	1.0
342.15665	1.0
374.18549	1.1
385.14243	1.5
387.14481	1.8
403.14462	2.7
406.20840	1.0
434.20331	3.2
445.16342	1.2
449.15836	1.3
451.17352	1.5
452.21472	2.2
463.17487	4.6
481.18829	4.5
512.23383	1.1
533.17792	0.9
535.19659	1.8
547.20563	1.0
553.20361	1.0
565.20721	2.9
583.22144	4.8
612.69952	1.0
684.82904	0.9
713.25366	2.1
714.27161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01873	1.8
63.61004	0.3
65.03927	0.6
67.05502	0.9
69.03413	0.9
70.06616	0.4
77.03956	0.4
79.05498	2.1
81.03412	1.3
81.07039	0.6
83.04965	0.4
85.02915	0.7
87.47189	0.3
91.05489	3.2
93.07041	1.4
95.01348	0.4
95.04974	7.2
97.02893	0.6
97.06554	0.4
98.01054	0.4
98.06067	1.0
98.21535	0.7
100.53829	0.4
103.05475	35.6
104.05833	0.5
105.03390	1.3
105.04523	0.6
105.07038	5.3
107.04974	1.0
107.08592	0.6
109.06518	1.4
111.04438	0.6
115.05460	2.6
117.07050	2.1
118.97386	0.4
119.04929	1.0
119.08553	1.9
119.90262	0.3
121.02881	0.6
121.06509	1.5
123.04421	0.4
123.08050	0.5
125.05994	0.5
128.06216	1.9
129.07018	2.5
131.04936	100.0
131.08580	2.1
132.05276	0.9
133.06509	4.9
133.10149	0.4
135.04431	0.5
135.08067	1.6
137.05965	1.1
139.03900	0.8
141.07014	1.3
142.07808	1.6
143.08568	3.3
145.06470	2.3
145.10127	0.9
147.04347	0.6
147.08063	1.4
149.06010	1.0
151.07568	0.5
153.06989	0.7
154.07747	0.4
155.08566	2.0
156.09354	1.9
157.06464	1.0
157.10155	1.9
158.07295	0.5
159.08081	2.7
159.11723	0.6
161.05991	12.0
161.09630	1.0
163.07562	2.8
165.05319	0.4
165.06995	0.8
166.07813	0.9
167.08484	0.9
169.06480	2.3
169.10129	2.8
170.07251	0.7
171.08054	2.8
171.11650	2.1
172.08823	0.9
173.06029	1.0
173.09665	1.2
174.42004	0.4
175.07585	1.0
177.05515	0.5
177.09129	0.8
179.07034	1.1
179.08554	1.1
180.09264	0.6
181.06453	0.6
181.10136	0.6
182.07265	1.0
183.08064	1.5
183.11679	0.7
184.08841	1.2
185.06078	1.1
185.09540	2.4
187.07561	2.6
187.11115	0.7
188.08351	0.4
189.05463	0.7
189.09116	1.2
193.10117	0.5
195.08109	1.0
195.11716	0.6
196.08862	0.5
197.06007	1.0
197.09633	3.5
198.10448	1.1
199.07565	2.5
199.11194	7.6
201.09175	1.3
202.07829	0.4
203.06941	0.8
203.10507	0.4
205.08598	1.5
207.06454	0.6
207.08191	1.0
207.11682	0.9
209.09586	1.0
211.07591	1.0
211.11163	0.9
212.08272	0.4
213.09084	3.8
213.12822	0.8
215.07034	7.5
215.08858	0.5
215.10370	1.8
217.08540	1.0
219.11748	0.5
221.09680	0.7
221.13187	0.5
223.07568	1.1
223.11171	0.7
225.05495	1.6
225.09126	6.5
227.07021	1.7
227.10733	1.0
229.10355	0.5
230.10945	0.5
231.10063	0.7
232.08916	0.5
233.08090	0.8
235.07637	0.7
235.09509	0.5
237.09041	0.5
239.10773	0.7
241.08549	4.6
242.10934	0.5
243.06488	0.9
243.10214	1.3
245.08046	1.1
247.09564	0.9
249.09119	0.9
249.12836	0.8
251.10796	0.8
253.08505	0.5
255.10168	1.1
257.08081	15.3
257.11465	0.9
259.09656	8.3
261.11053	0.5
263.10745	0.5
265.08453	0.7
265.10834	0.7
267.10284	1.3
271.09601	0.7
273.11249	0.7
275.09128	0.6
279.10400	0.4
283.09677	0.8
285.11142	2.4
300.11563	0.6
301.10666	10.7
301.15649	0.5
303.12195	2.3
313.15634	0.5
315.13510	0.4
317.15436	0.5
319.11893	0.8
327.13824	0.5
329.15280	0.5
331.16873	0.6
341.15308	0.7
343.13052	0.9
345.14996	0.5
347.16528	0.6
355.13269	0.5
357.14667	1.1
359.16431	0.9
367.13205	0.5
373.14413	0.9
377.17377	0.9
385.14404	1.8
387.14487	1.5
391.15549	1.0
395.18835	0.7
401.13733	1.8
403.15271	2.8
413.13739	0.6
417.17072	0.5
419.14761	1.5
421.16586	0.6
431.15082	1.3
433.16507	1.2
437.15948	0.8
445.16425	1.5
449.15933	1.0
451.17618	0.8
463.17569	5.3
481.18771	2.8
499.19397	0.9
517.18591	1.7
533.18182	3.9
535.19623	1.3
551.18628	0.8
553.20648	1.3
565.20337	1.7
583.21478	1.0
609.28864	0.9
695.24725	1.4
713.25507	1.2
714.26306	0.5
731.29877	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01878	2.9
57.03435	0.5
65.03947	0.6
67.05494	1.4
69.03440	1.2
70.15396	2.1
77.03904	1.3
79.05504	3.3
81.03438	2.7
81.07071	0.8
82.03732	0.6
89.22077	0.5
90.13345	0.6
91.05492	4.3
93.07055	1.2
95.01334	0.7
95.04983	7.7
95.08612	1.0
96.33247	0.5
97.02880	0.8
99.64686	0.5
102.04714	0.8
103.05479	62.3
104.05780	0.5
105.04528	1.0
105.07037	9.7
107.04972	1.7
109.06523	1.3
111.04379	0.7
115.05499	2.6
117.07059	2.7
119.04953	1.4
119.08582	1.9
121.06544	1.5
123.04438	1.1
125.06001	0.8
128.06233	2.4
129.07036	3.2
130.07784	0.7
131.04939	100.0
131.08575	2.2
132.05267	0.6
133.06506	9.6
135.04433	0.9
135.08069	1.5
137.06006	2.0
141.07010	2.9
142.07796	3.1
143.08589	5.6
144.09447	0.6
145.06522	3.8
145.10086	0.9
147.08107	1.0
149.05980	0.8
151.07578	1.0
152.06201	0.7
153.05592	0.5
153.06978	1.2
154.07727	1.7
155.08533	2.6
156.09370	3.7
157.06517	2.1
157.10242	2.6
158.07338	1.5
159.08063	3.8
159.11731	1.1
161.06006	16.9
161.09612	1.3
163.07545	3.2
165.05696	0.5
165.07005	2.4
166.07707	0.8
167.08595	1.3
169.06483	3.2
169.10139	4.7
170.07141	1.3
170.10832	0.8
171.08076	3.4
171.11690	4.6
172.08817	1.0
173.06000	2.0
173.09631	1.5
175.07536	1.0
177.05513	0.8
179.07042	1.7
179.08615	2.2
180.09427	0.8
181.06467	0.7
181.10219	0.7
182.07315	1.6
183.08070	4.5
183.11705	1.2
184.08887	4.0
184.25343	0.6
185.06015	1.1
185.09595	3.9
187.07568	1.8
187.11264	1.4
189.05441	1.0
189.09126	1.3
193.10172	1.5
195.08116	2.9
196.08881	0.8
197.06004	1.1
197.09642	6.6
198.10495	0.9
199.07471	2.5
199.11198	16.5
201.09151	1.2
203.06989	1.0
205.08530	1.1
205.10228	0.8
207.08070	1.5
207.11755	0.7
209.09608	2.0
211.07576	1.8
211.11221	1.3
212.08284	0.7
213.05463	0.8
213.09125	4.5
215.06975	1.2
215.10426	2.6
217.08459	1.2
217.10312	0.9
217.12198	0.7
221.09561	1.1
222.10538	0.6
223.07605	0.8
223.11203	1.6
225.05602	1.2
225.09113	13.2
225.12564	0.7
227.06967	0.9
227.10747	1.7
229.08499	1.2
229.12201	0.7
233.07903	0.8
233.09904	0.8
235.01782	0.6
235.07640	1.0
235.11302	1.0
237.09189	0.7
239.10742	1.3
241.08540	3.5
243.06483	0.7
243.10255	2.1
245.07944	0.9
245.13310	0.8
247.07472	0.6
249.09142	1.6
251.10812	0.8
253.08420	0.8
253.12302	0.8
255.10237	1.6
257.08072	5.7
257.11865	1.7
259.09705	2.2
263.10666	0.8
267.10245	1.8
268.12796	0.7
271.09366	2.5
271.14389	0.5
272.12076	0.6
273.11340	0.9
279.10263	1.1
281.11862	1.0
283.09628	1.0
285.11090	4.3
301.10928	2.4
301.15942	0.8
303.12360	1.2
309.11533	0.8
313.12271	0.7
315.13739	0.6
319.11859	1.6
329.11441	0.7
329.15646	0.9
331.17001	1.4
343.13382	1.0
345.14929	0.9
347.16476	0.8
357.14795	1.2
359.16360	0.9
367.13303	0.7
373.14392	1.1
377.17487	1.2
385.14346	1.7
387.14322	2.7
393.16702	0.7
401.13858	0.9
403.14340	5.4
404.16293	0.6
405.15900	1.2
415.15347	0.9
423.16553	0.6
431.14841	0.8
433.16544	1.7
435.17996	0.7
437.15649	0.6
445.16516	2.2
449.16168	0.8
451.17603	2.2
463.17603	5.3
469.18536	2.2
481.18597	4.6
499.19827	1.0
505.18701	0.9
535.19629	4.9
547.19592	0.9
551.19775	0.7
553.20978	1.5
565.20361	3.1
583.22009	4.5
652.23395	0.6
695.24451	0.7
713.25549	1.9
731.27655	1.3
749.27826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01862	1.6
57.03434	0.3
59.16244	0.3
64.38103	0.3
65.03934	0.5
65.31146	0.3
67.05488	1.4
69.03434	0.9
77.03916	0.8
79.05501	2.4
79.30973	0.4
81.03417	2.0
81.07062	0.9
83.04988	0.4
91.05489	4.1
93.07046	1.7
95.01349	0.9
95.04975	4.7
95.08643	0.4
97.02884	0.6
102.04652	0.6
103.05473	46.0
104.05807	0.5
105.04498	1.1
105.07037	6.9
107.04990	0.8
107.08620	0.9
109.06503	1.2
111.04456	0.4
115.05459	2.7
117.07042	2.3
119.04963	1.3
119.08584	1.9
121.02878	0.4
121.06522	1.4
123.04409	0.4
123.08129	0.4
125.05980	1.1
128.06238	1.7
129.07018	3.3
131.04933	100.0
131.08562	2.3
132.05301	0.7
133.06500	7.7
133.10143	0.4
135.08069	1.1
137.05983	1.5
139.03888	0.7
141.06995	2.2
142.07822	2.1
143.08575	4.6
144.05751	0.7
145.06485	3.7
145.10110	1.0
147.04379	0.9
147.08032	1.5
147.48732	0.3
149.05989	1.3
149.09604	0.4
151.07518	0.5
153.05495	0.4
153.06979	1.0
154.07768	1.2
155.08574	2.0
156.09351	3.2
157.06476	1.2
157.10118	2.6
158.07292	1.1
159.08054	3.4
159.11720	0.6
161.05992	15.8
161.09639	1.2
162.06842	0.4
163.07549	3.3
165.05586	0.7
165.07002	1.1
166.07857	1.1
167.08609	1.4
169.06448	2.0
169.10117	3.6
170.07268	0.6
170.10921	0.8
171.08109	2.9
171.11678	3.1
172.08879	0.5
173.05986	1.3
173.09659	0.9
175.07558	1.5
177.05415	0.5
177.09157	0.8
179.07051	2.4
179.08578	1.3
181.10175	1.8
182.07307	1.3
183.08066	2.6
183.11707	0.9
184.08852	2.4
185.06068	1.4
185.09599	2.9
187.07587	2.6
187.11211	0.8
189.05501	0.6
189.09142	1.3
193.10173	1.4
195.08104	1.3
195.11761	0.8
196.08873	0.6
197.06021	0.8
197.09634	5.3
198.06670	0.4
198.10370	1.2
199.07574	2.4
199.11195	19.5
201.09119	1.0
203.07083	1.0
205.08655	1.6
207.06369	0.5
207.08145	0.9
207.11868	0.5
209.06015	0.4
209.09666	1.2
210.10486	0.4
211.07584	2.0
211.11185	1.0
212.08369	0.6
213.05656	0.4
213.09142	3.6
214.09969	0.5
215.07085	1.0
215.10652	2.7
217.08476	2.2
217.12166	0.6
219.08269	0.5
219.10072	0.9
221.09604	1.2
221.13197	0.5
222.10255	0.4
223.07585	1.4
223.11205	1.3
224.08376	0.4
225.05653	0.6
225.09116	14.2
227.07079	1.4
227.10684	1.5
229.08447	0.9
229.10396	0.7
229.12288	0.8
232.08904	0.4
233.08107	1.3
235.07593	0.9
235.09526	0.9
235.11545	0.5
237.09161	1.0
237.12891	0.5
239.10667	1.3
241.08528	3.9
243.10054	2.8
245.08081	1.6
247.09372	2.2
249.09047	0.8
249.13033	0.5
251.10814	0.9
251.14412	0.4
253.08615	1.2
253.12277	0.9
255.10115	1.8
257.07990	4.7
257.11499	2.0
259.09412	3.2
259.14966	0.4
261.09003	0.4
261.12958	0.6
263.10858	0.5
265.08560	0.6
267.10022	1.8
271.09409	1.7
273.11227	0.8
275.10461	0.4
275.14508	0.5
279.10098	0.5
281.11896	0.9
283.09567	1.0
284.11832	0.6
285.11191	4.5
288.11749	0.6
291.13806	0.5
299.10532	0.4
301.10834	2.8
301.15726	0.5
303.12177	2.1
304.11862	0.5
309.11407	0.4
313.11823	0.4
315.13705	1.1
317.11520	0.5
317.15128	0.8
319.12103	1.1
319.16940	0.4
325.11871	0.4
329.11734	0.4
329.15268	1.3
331.13339	0.9
331.17038	1.0
339.13800	0.9
341.11707	0.5
343.13229	0.8
345.14886	0.6
347.16467	0.9
355.13300	0.8
357.14719	1.1
359.16315	1.5
361.14304	0.8
367.13348	0.7
371.12738	0.5
373.14374	1.4
375.15808	1.6
377.17596	1.5
383.12738	0.7
385.14423	2.1
387.14401	3.9
391.15326	0.9
401.13959	1.0
403.14322	5.8
405.16089	1.2
413.13931	1.2
417.16672	1.0
419.14957	0.8
421.16214	1.4
423.16766	0.4
427.15170	0.6
431.14847	1.6
433.16522	1.7
435.18094	0.7
437.16113	0.5
445.16425	2.4
449.15851	0.9
451.17432	2.6
463.17535	7.0
469.18854	1.3
481.18781	3.7
505.18811	0.8
533.18652	0.7
535.19775	3.7
536.20898	0.5
547.19824	1.2
553.20746	1.4
565.20862	3.3
583.21851	4.8
601.22968	0.6
653.73242	0.4
695.25775	0.6
713.25391	1.3
728.34583	0.4
731.26672	1.7
749.27856	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01877	2.0
57.03438	1.1
66.49863	0.7
67.05497	3.4
69.94629	0.8
70.05117	3.0
70.05485	1.7
77.03925	1.5
79.05498	2.5
81.07032	1.0
83.04964	0.8
91.05464	4.0
93.07050	1.2
95.01320	1.1
95.04981	6.3
103.05475	45.0
105.04550	0.8
105.07041	7.2
107.04975	1.8
109.06490	2.0
115.05447	2.7
117.07034	1.9
119.04971	1.4
119.08597	1.4
121.06493	2.3
123.04460	2.0
125.05993	2.6
128.06244	2.1
129.07062	1.7
131.04936	100.0
131.08574	2.8
133.06502	8.4
135.08037	2.0
137.06000	1.1
141.06967	1.9
142.07759	1.4
143.08566	2.9
145.06516	4.0
149.06017	2.6
153.05499	1.4
154.07845	2.0
155.08533	1.4
157.06487	1.9
157.10153	1.9
159.08066	3.1
161.05989	15.6
161.09648	1.4
162.06757	1.1
163.07523	3.8
165.06879	1.1
167.08574	1.2
169.06506	2.1
169.10141	2.9
171.08061	2.3
173.05998	1.6
173.09515	1.7
175.07573	1.8
177.09045	1.3
179.07082	1.5
179.08519	1.2
181.10020	1.1
182.07323	1.4
183.08084	3.8
183.11688	1.2
185.06000	1.7
185.09654	3.4
187.07478	2.1
189.05479	1.6
189.09125	1.3
195.08046	1.1
197.05988	1.4
197.09641	5.8
199.07568	2.7
199.11220	3.0
201.09117	1.0
203.07108	1.2
205.08583	1.8
207.08078	1.4
207.10095	1.4
209.09633	1.7
211.07568	1.0
213.09177	4.1
215.07065	2.0
217.08673	2.9
221.09642	1.9
223.07571	1.5
225.09123	17.1
226.09256	1.0
227.10678	2.0
229.08475	1.8
233.08014	1.2
234.72609	0.8
235.07600	1.3
235.09612	1.1
237.09151	1.1
241.08521	5.2
243.10117	2.8
247.09605	2.1
249.09166	1.2
253.08627	1.6
253.12343	1.2
255.10287	1.3
257.08109	6.3
257.11774	1.5
259.09747	2.7
267.10205	1.3
273.11191	1.1
279.09991	1.1
281.11871	1.0
283.09503	1.0
285.11133	5.8
301.10538	1.4
307.09644	0.9
309.11270	1.1
315.13501	0.8
319.11926	1.7
321.10703	0.9
327.13440	1.0
331.17081	1.1
357.14615	1.4
373.14270	1.3
385.14285	2.9
387.14511	1.8
403.14270	5.7
413.13876	1.2
427.15292	1.2
431.14648	1.1
445.16550	2.8
451.17590	2.9
461.18069	1.2
463.17526	5.2
481.18594	7.0
505.18576	2.3
533.18298	1.0
535.19794	1.9
547.19495	1.7
553.20807	2.1
557.90558	1.1
565.20605	5.1
583.21802	7.7
661.32654	1.0
695.24860	1.1
713.25549	1.2
731.26434	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01873	1.2
55.05524	0.2
65.03955	0.3
67.05506	0.7
69.03429	0.6
70.26836	0.8
77.03937	0.9
79.05494	1.9
81.03424	1.3
81.07045	0.6
83.01353	0.3
83.04980	0.4
85.02929	0.2
91.05489	2.6
91.88395	0.2
93.07064	0.9
95.01340	0.4
95.04973	4.7
95.08587	0.3
102.04680	0.8
103.05475	59.9
105.03413	0.3
105.04539	1.1
105.07036	5.4
107.04946	1.3
107.08606	0.5
109.06526	0.9
111.04445	0.3
115.05444	1.3
117.07015	1.3
117.30109	0.2
119.04948	0.5
119.08595	1.2
121.06509	1.1
123.04440	0.3
123.08066	0.6
125.06035	0.7
128.06224	1.3
129.07005	1.9
131.04935	100.0
131.08569	1.9
132.05310	0.4
133.06494	4.2
133.10110	0.2
135.04413	0.5
135.08052	0.9
137.05983	0.8
141.07008	1.6
142.07841	1.4
143.08556	3.0
144.08102	0.3
144.09273	0.2
145.06462	2.2
145.10138	0.6
147.04451	0.3
147.08037	0.7
148.05295	0.2
149.05998	1.0
149.09695	0.2
151.07623	0.3
152.06212	0.2
153.05464	0.3
153.07014	0.5
154.07820	0.8
155.08525	1.3
156.09393	2.1
157.06490	0.8
157.10132	2.0
158.07286	0.7
159.08078	2.3
159.11662	0.4
161.05984	8.4
161.09676	0.7
163.07521	1.5
165.05592	0.4
165.07057	0.9
166.07791	0.7
167.08586	0.9
168.09354	0.6
168.45264	0.2
169.06499	1.3
169.10138	2.1
170.07262	0.5
170.10884	0.5
171.08107	1.6
171.11676	2.2
171.12692	0.2
172.08888	0.5
173.05977	0.8
173.09666	0.8
175.07593	0.8
177.05568	0.5
178.07870	0.4
179.07043	1.3
179.08617	1.2
180.09358	0.5
181.06482	0.5
181.10135	1.2
182.07217	0.4
183.08052	1.7
183.11691	0.7
184.08835	1.9
185.06030	0.3
185.09592	2.1
187.07571	1.6
187.11153	0.5
189.05440	0.4
189.09091	0.9
191.07071	0.3
191.08600	0.4
193.10121	0.6
195.08086	0.8
195.11707	0.7
196.08807	0.6
197.05893	0.4
197.09630	3.3
198.10394	0.6
199.07584	1.2
199.11194	10.9
201.09166	0.7
201.92671	0.2
203.06995	0.5
203.10686	0.2
205.08626	0.7
207.08112	0.6
209.06021	0.3
209.09668	0.7
211.07619	0.7
211.11180	1.0
213.09079	2.1
214.09961	0.3
215.07040	1.1
215.08922	0.3
215.10629	1.3
217.08537	1.5
218.10814	0.3
219.09998	0.4
219.11852	0.5
221.09657	0.6
223.07558	0.4
223.11218	0.8
225.05652	0.4
225.09108	6.8
225.12604	0.4
227.06964	0.3
227.10698	0.8
229.08490	0.4
233.08072	0.8
234.10268	0.3
235.07561	0.6
235.09528	0.4
235.11485	0.3
237.09129	0.7
237.12741	0.4
239.10741	0.7
241.08501	2.0
243.06490	0.5
243.09990	1.5
245.08127	1.0
245.13339	0.3
247.09529	1.2
249.09074	0.6
251.10785	0.4
253.08580	0.7
253.12219	0.6
255.10165	0.8
257.08011	2.9
257.11761	1.0
258.10583	0.3
259.09540	2.3
261.12943	0.3
263.10776	0.5
267.10254	0.8
269.11807	0.3
271.09653	1.1
273.12863	0.3
277.12506	0.3
281.11746	0.5
284.11951	0.4
285.11136	2.0
287.14294	0.4
289.12524	0.3
289.15735	0.4
291.10245	0.4
296.11914	0.4
297.12103	0.3
299.10535	0.4
301.10541	1.2
303.12283	1.3
303.17175	0.3
309.11505	0.5
317.15369	0.4
319.11868	0.6
327.13974	0.3
329.15237	0.6
331.16830	0.7
333.14896	0.4
339.13849	0.3
341.15375	0.5
343.13275	0.4
345.14597	0.3
349.18164	0.4
357.14777	1.1
359.12265	0.4
359.16354	0.9
361.14282	0.5
367.13324	0.4
373.14246	0.6
375.15942	0.7
377.17584	1.2
385.14203	1.1
387.14532	2.5
395.13617	0.3
395.18369	0.5
401.13565	0.5
403.14185	2.8
404.14612	0.3
405.15649	1.0
413.13934	0.6
417.16721	0.5
419.14764	0.6
421.16180	0.5
423.16501	0.4
427.15210	0.4
431.14975	0.6
433.16470	1.1
435.17914	0.6
445.16455	1.2
449.15915	0.5
451.17398	1.3
463.17526	3.1
469.18625	1.1
481.18500	2.0
505.18066	0.5
533.18005	0.5
535.19702	2.3
547.19843	0.4
553.20758	0.3
565.20465	2.3
583.21606	2.8
601.22620	0.5
713.25873	0.5
731.26440	0.4
749.27502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01864	2.1
55.05489	1.3
57.03410	0.9
67.05495	1.6
69.03422	0.7
69.30470	3.3
69.30882	0.8
77.03917	0.8
79.05496	2.6
81.03413	2.6
81.38674	0.5
83.04967	1.4
85.02898	0.9
91.05493	3.5
93.07027	1.8
95.01328	1.2
95.04974	7.1
95.08604	1.0
97.02887	0.6
98.06058	1.0
98.20708	0.9
102.04666	0.6
103.05470	48.5
105.03394	0.8
105.04532	1.1
105.07037	7.3
107.04947	1.2
107.08560	1.0
109.06506	0.9
111.04380	0.8
115.05451	2.0
117.07015	2.2
119.04971	1.1
119.08586	1.8
121.06499	1.5
123.04422	0.6
123.08096	0.8
125.05976	1.1
128.06215	2.2
129.06990	3.2
131.04929	100.0
131.08556	3.4
131.20551	0.5
132.05254	1.1
133.06500	8.2
133.10112	0.8
135.04422	1.2
135.08051	1.7
137.05972	1.4
141.07022	2.5
142.07774	1.8
143.08574	5.2
145.06474	3.4
145.10085	1.2
147.08025	1.1
149.05959	1.7
149.09561	0.8
151.07555	0.9
153.05595	0.6
153.06963	1.3
154.07771	1.4
155.08554	2.3
156.09344	3.3
157.06458	1.2
157.10159	3.5
158.07289	0.7
159.08105	2.7
159.11739	0.9
161.05988	19.1
161.09615	1.2
163.07539	2.9
165.05496	0.9
165.07008	1.5
166.07788	0.5
167.08585	2.0
168.09464	0.6
169.06477	2.4
169.10114	2.9
170.07274	0.6
171.08095	2.6
171.11661	3.6
172.08824	0.6
173.06032	1.5
173.09642	1.9
175.07597	1.0
177.09166	0.6
179.07018	1.8
179.08585	1.4
181.06442	0.6
181.10083	0.9
182.07248	1.7
183.08058	3.1
183.11728	1.4
184.08873	1.8
185.05960	1.0
185.09630	3.6
185.13008	0.5
187.07536	2.6
187.11143	1.2
189.09096	0.8
192.09453	0.7
193.10126	0.9
195.08142	1.4
195.11795	0.6
196.08749	1.1
197.05972	0.9
197.09615	5.9
198.10371	0.7
199.07538	2.6
199.11177	9.3
201.09167	1.9
203.08643	0.6
205.08626	1.3
207.08060	1.4
207.11778	0.6
209.09668	1.4
211.07564	2.1
211.11165	1.1
213.09138	4.0
213.12666	0.8
215.07079	1.2
215.08920	0.6
215.10614	2.4
215.12793	0.5
217.08655	1.7
221.09718	0.7
223.07568	1.5
223.11174	1.1
224.08286	0.9
225.09103	11.5
225.12610	0.7
227.10645	1.7
229.08600	1.6
233.07991	0.8
235.07642	1.1
235.09595	0.8
237.09132	1.2
237.12733	0.7
239.10701	1.3
241.08479	4.2
243.06564	0.8
243.10167	2.2
245.08122	1.5
247.09587	1.4
249.09192	1.1
251.10684	0.7
253.08575	1.4
255.10147	2.0
257.07990	6.8
257.11746	1.1
259.09494	4.1
263.10779	0.9
267.10263	1.5
270.14099	0.6
271.09641	1.6
272.11917	0.5
273.11179	1.2
281.08096	0.7
283.09885	0.7
285.11096	4.5
299.10535	0.6
301.10638	3.1
301.15833	0.8
303.12506	1.7
305.12000	0.6
315.13797	1.1
317.15540	0.7
325.11731	0.9
329.15344	0.8
331.17017	0.7
343.13297	0.9
349.13693	0.6
357.14749	1.5
359.16150	0.7
361.14392	0.6
367.13553	1.1
373.14304	1.0
375.15955	1.0
383.12781	0.6
385.14499	1.9
385.24307	0.5
387.14487	5.2
391.15482	0.9
395.18881	0.7
401.13904	1.1
403.14178	6.8
405.15512	2.6
407.99466	0.6
413.13574	1.1
417.16827	1.2
419.14993	0.6
421.16403	1.5
423.15814	0.7
431.14944	1.4
433.16138	0.8
435.17743	1.0
445.16568	2.0
449.15918	1.1
451.17343	3.6
463.17398	6.2
481.18542	5.2
505.18021	1.3
523.19427	0.9
533.17883	1.2
535.19617	1.6
547.19592	1.6
551.19086	1.0
553.20618	1.8
565.20856	4.8
583.21704	5.0
713.26361	1.3
731.27026	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.0
55.01866	0.8
55.05503	0.8
59.02199	0.4
65.03043	0.4
67.05499	1.5
69.03429	0.9
77.03912	0.8
79.05492	1.9
81.03413	1.3
81.07044	0.9
83.04962	0.8
85.02880	0.5
91.05495	3.2
93.07050	1.0
95.04974	7.6
95.08627	0.4
97.06471	0.4
98.11957	0.4
98.20691	0.7
103.05472	47.7
104.05835	0.6
105.03427	0.5
105.04521	0.9
105.07040	5.1
106.54140	0.5
107.04972	0.8
107.08590	1.1
109.06498	0.6
109.10131	0.5
111.04416	0.6
115.05462	1.5
117.07040	2.0
119.04953	0.7
119.08567	1.5
121.01375	0.5
121.02893	0.5
121.06494	1.0
121.10164	0.4
123.04417	0.4
128.06248	1.2
129.07018	1.6
131.04933	100.0
131.08580	1.6
132.05284	1.1
133.06500	3.8
133.10155	0.9
135.04393	0.6
135.08084	1.3
136.08444	0.4
137.06006	0.5
141.06985	1.4
142.07768	1.7
143.08553	2.1
145.06503	2.2
145.10133	1.4
147.04410	0.5
147.08055	1.1
149.05988	0.6
151.07571	0.5
153.06979	0.5
154.07799	0.7
155.08574	1.0
156.09338	1.6
157.06400	0.7
157.10143	1.2
159.08044	1.9
159.11749	0.8
161.05989	9.1
161.09644	1.0
163.07578	2.2
165.06924	0.7
166.07794	0.7
169.06476	1.2
169.10190	1.7
170.07201	0.6
171.08061	2.2
171.11722	1.8
172.08858	0.8
173.06012	0.6
173.09633	0.9
175.03970	0.6
175.07555	1.1
177.09099	0.5
179.07072	1.1
179.08693	1.1
181.10092	1.0
182.07297	0.7
183.08038	1.7
183.11731	0.8
184.08804	0.9
185.06035	1.2
185.09683	1.9
185.13248	0.4
187.07570	2.5
187.11194	0.7
189.05513	0.7
189.09160	1.1
191.07010	0.5
193.10170	0.8
195.08055	0.9
195.11740	0.7
197.06062	0.7
197.09660	2.5
199.07582	2.5
199.11191	3.4
201.09146	1.3
203.06992	0.6
204.09332	0.5
205.08633	1.0
206.10866	0.6
207.11836	0.5
209.09636	1.0
211.07547	1.1
213.09114	2.7
213.12744	0.7
215.07011	2.4
215.10663	1.2
217.08624	1.2
221.09605	0.6
223.07512	0.7
223.11165	0.5
225.05452	1.3
225.09064	3.2
225.12596	0.6
227.07063	0.6
231.10089	0.7
236.12054	0.4
237.09225	0.7
239.07027	0.5
241.08488	2.4
243.06485	0.8
243.10072	0.8
245.08113	0.5
247.09709	1.4
255.10106	1.0
257.08072	12.2
257.11673	1.0
259.09595	7.4
259.11877	0.5
261.11020	0.8
267.10126	0.5
273.11246	1.1
275.09113	0.8
283.09717	0.5
285.11374	1.3
287.10770	0.6
301.10675	8.1
303.12494	1.4
315.13885	0.7
319.11877	0.4
324.11212	0.4
329.14957	0.5
345.14999	0.6
355.22748	1.2
357.14624	0.7
359.16660	0.5
373.14084	0.5
375.15924	0.7
385.13803	1.1
387.14343	0.5
401.13757	1.4
403.14996	2.0
413.13657	0.9
417.16843	0.5
419.14792	1.2
421.16653	0.8
423.25250	0.6
431.14890	1.1
433.16525	0.7
445.16592	1.6
449.15839	1.1
463.17499	3.9
481.18613	2.6
499.19443	0.7
517.18744	1.5
533.18164	4.2
535.19666	1.4
547.19971	0.5
553.20715	0.6
565.20740	1.1
583.21576	0.7
587.25568	0.4
609.08832	0.4
677.23816	0.6
695.24896	1.5
713.24677	0.8
717.29071	1.1
731.27112	0.5
749.31561	2.0
750.31677	0.4
757.06653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.01866	1.7
55.05510	22.3
55.42920	1.1
56.79602	1.1
57.03437	7.7
57.07066	2.8
57.56157	1.0
65.03935	6.1
67.05506	84.9
69.06731	1.4
69.07070	18.6
69.84037	3.5
69.84446	1.8
71.04975	3.4
77.03905	2.1
79.05494	77.5
81.03388	1.9
81.07056	100.0
83.04972	2.3
83.08617	11.1
85.06538	2.9
91.05482	74.4
93.07043	81.8
95.04965	5.6
95.08608	64.1
97.06546	6.0
97.10155	5.8
99.08069	1.9
105.04504	2.1
105.07031	54.1
107.08601	39.2
109.06500	3.3
109.10152	19.4
111.08077	3.0
117.05533	10.1
117.07008	18.5
119.08582	38.9
119.09209	0.7
121.10145	41.2
123.08095	1.6
123.11715	6.8
125.09598	1.7
128.06232	1.7
129.07004	7.2
130.07779	1.3
131.08574	27.0
133.10130	29.1
135.08064	2.0
135.11697	23.7
137.09602	1.7
137.13243	1.4
143.08589	6.1
145.10120	19.8
147.11678	17.5
149.09584	2.0
149.13278	7.9
151.11168	1.4
157.10121	3.8
159.11710	13.7
161.13242	10.3
163.11157	2.0
163.14847	2.2
165.12694	1.7
171.11728	6.9
173.13255	7.9
175.14828	3.8
177.12718	1.3
179.14368	1.7
183.11639	1.1
185.13266	3.0
187.14806	3.2
189.16353	1.5
201.16414	1.2
215.18036	1.5
231.21109	1.9
241.19522	5.6
243.21022	3.6
259.20578	19.9
261.22147	14.4
277.21558	1.7
279.23132	3.8
301.21707	1.2
303.23239	3.0
319.22656	3.1
321.24252	13.4
333.24271	13.3
335.25797	5.3
375.25284	7.5
377.26700	1.7
393.26370	44.5
394.26563	2.1
395.27914	61.9
435.27393	1.5
437.29004	7.1
519.41510	1.6
653.47784	12.2
664.61707	1.1
671.48218	3.9
713.49884	76.9
714.49927	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	748.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
55.05512	51.0
59.28519	1.8
62.64968	1.9
68.04913	2.0
69.07067	2.6
69.36532	5.0
69.36938	11.8
74.62787	2.2
79.05489	4.7
81.07043	4.3
83.04983	100.0
91.05474	10.0
93.07023	6.1
95.04964	5.0
95.08614	3.6
103.05477	12.9
103.70349	2.0
105.07014	11.4
107.04951	3.3
107.08598	4.0
109.06505	2.2
115.05456	3.6
117.07027	2.8
119.04944	3.0
119.08585	7.6
121.10135	3.1
128.06244	3.8
129.07013	3.7
131.04956	21.0
131.08530	7.4
133.06448	7.7
133.10159	10.5
135.08051	3.2
142.07722	3.7
143.08549	9.8
145.06494	5.7
145.10112	6.0
147.08022	5.8
149.05850	2.7
149.09601	9.0
149.10707	2.3
155.08492	4.5
156.09329	4.2
157.10132	12.0
159.08063	7.3
161.06001	6.1
161.09636	3.0
167.08626	3.3
169.10104	9.4
170.10864	5.9
171.08026	5.8
171.11697	24.7
173.09616	7.3
175.07498	2.5
177.05537	2.7
177.09026	4.1
179.15849	2.1
183.11671	20.0
185.09613	6.1
185.13257	19.6
187.07527	2.7
187.11206	3.7
189.05452	3.5
193.10100	3.6
195.11772	4.3
197.09703	3.9
197.13226	2.8
199.11206	6.7
201.09052	2.7
205.12112	2.9
206.10951	2.4
207.11760	4.5
208.12556	2.1
211.11137	8.2
213.08994	3.4
213.12744	12.1
219.11690	3.2
221.13225	4.9
225.09091	4.4
229.12190	4.4
231.13785	3.8
233.13321	3.5
243.11623	4.2
243.13814	8.8
244.12570	3.6
245.13300	3.7
245.15411	12.0
247.15053	2.6
255.13939	2.2
257.13431	5.4
258.13916	2.6
259.14835	7.0
260.15680	3.1
261.12729	3.2
261.16470	3.8
263.14267	3.0
270.14066	4.4
271.14847	3.5
273.14709	9.5
275.17883	3.2
283.14737	3.0
285.16229	3.6
287.14386	2.5
287.17825	3.1
299.14325	3.6
299.17667	2.6
301.15619	2.9
303.17459	3.5
312.15204	2.8
313.15784	5.7
315.17270	3.6
317.15527	2.4
317.18790	3.0
329.15390	3.6
329.19031	2.1
331.16861	7.8
333.18091	2.6
341.15338	2.9
343.16779	3.1
345.18448	5.2
349.17966	6.2
355.16837	3.2
359.16382	11.8
373.18033	12.8
377.17358	8.9
391.19153	9.5
401.17499	7.9
403.19232	2.3
405.20605	9.0
415.18970	6.0
419.18341	7.1
421.20148	3.5
423.21503	6.1
433.20151	22.7
451.21243	19.7
465.22336	2.5
493.22058	7.9
511.23059	6.7
553.24017	4.8
571.25287	4.6
653.29346	2.5
656.08533	2.3
770.66449	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	748.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.3
55.05267	3.5
55.05515	53.0
65.03935	2.3
79.05475	6.2
81.07058	3.4
83.04985	100.0
91.05497	16.2
93.07026	5.9
95.04981	3.3
95.08594	2.8
103.05449	7.6
105.03397	2.8
105.07039	23.6
107.08588	4.5
109.06497	2.8
115.05469	8.0
116.06213	2.3
117.07005	12.9
119.04970	2.7
119.08578	19.9
121.06461	3.8
125.02345	5.5
126.05441	2.6
128.06239	5.5
129.06992	6.9
131.04938	8.2
131.08580	13.0
133.06490	11.4
133.10130	21.5
135.08058	6.0
137.45282	2.3
141.06984	5.1
142.07764	8.4
143.04778	2.5
143.08565	14.4
145.06494	9.2
145.10114	17.2
147.08049	14.4
149.09608	4.7
155.08577	10.4
156.09348	13.1
157.06520	5.7
157.10156	30.1
158.80122	2.5
159.04323	2.2
159.08067	10.9
159.11691	6.3
161.06017	19.5
161.09592	9.5
161.55258	2.1
163.07526	8.3
163.11185	6.2
168.09370	3.9
169.10092	15.7
170.10880	12.0
171.08041	9.0
171.11696	67.3
173.05983	5.4
173.09647	16.8
173.13177	3.7
175.07573	13.2
175.11143	4.5
177.05452	2.8
177.09058	4.0
179.06973	2.8
179.08490	3.3
180.09314	2.4
181.10112	6.3
183.08060	6.7
183.11700	36.5
185.09703	11.2
185.13280	48.9
186.10207	2.7
187.07437	5.4
187.11165	5.0
189.05496	5.7
191.07056	2.5
193.08553	2.9
193.10117	5.3
194.10931	3.2
195.11667	9.6
197.09575	6.4
197.13231	11.5
198.10312	3.7
199.07658	2.8
199.11171	19.5
201.09209	4.5
201.12729	4.4
205.12270	4.3
207.11714	7.7
208.12511	3.1
209.09593	3.5
209.13150	4.0
209.28346	2.2
211.11176	12.9
213.09109	6.6
213.12744	42.4
215.10706	2.6
217.08493	2.7
217.12221	5.0
219.11711	5.5
220.12448	4.7
221.13339	5.5
223.11166	5.5
224.11900	2.9
225.09029	2.5
225.12709	3.5
229.10287	2.9
229.12343	6.4
231.11816	4.8
231.13800	5.6
232.12350	2.8
233.13229	7.3
234.10365	3.5
235.11108	3.5
237.12611	3.5
241.12274	9.2
243.11635	4.9
243.13826	16.8
244.12527	4.9
245.13203	3.7
245.15387	49.8
246.13811	2.8
247.11119	3.2
247.14886	4.2
247.17133	3.2
249.12642	3.0
251.10716	2.6
255.11647	3.2
255.13869	6.5
256.12570	4.6
257.13300	6.4
258.14023	5.6
259.11081	3.0
259.14926	4.2
261.12787	4.5
265.12112	2.6
267.11557	3.1
268.12576	4.0
269.13242	4.9
270.14035	6.7
271.14807	4.9
273.12445	3.7
273.14877	31.7
275.14334	3.7
275.17648	3.2
280.12421	3.2
281.13260	3.6
282.14261	4.4
283.11304	3.3
283.14728	5.4
284.12158	3.1
284.15625	4.6
285.12967	3.0
285.16327	8.1
287.14499	5.3
287.17914	4.7
289.14432	8.0
295.14551	4.0
297.12387	3.8
297.16000	3.0
298.13513	6.1
299.14508	3.4
299.17987	5.9
301.12451	3.3
301.15674	5.7
303.13666	5.8
303.17197	4.1
309.16412	2.3
312.15067	4.6
313.15891	7.9
315.13733	6.0
315.17267	6.1
317.15375	6.2
319.13254	3.5
327.13846	3.7
327.17355	10.7
329.15375	7.3
329.18967	5.1
331.16986	12.9
340.14746	5.4
341.15204	9.8
343.16931	4.7
345.14780	3.2
345.18497	14.0
347.16367	5.3
349.17920	5.8
355.16858	14.0
359.16473	21.9
360.17188	3.1
361.14191	3.6
361.18134	3.9
363.19635	6.4
365.15616	2.5
371.16217	3.3
373.17963	35.9
377.17291	11.6
383.16599	11.2
387.19632	3.0
389.17404	5.6
389.21609	2.8
391.19119	12.7
401.17551	32.1
403.18988	4.0
405.20703	16.5
415.18869	16.3
419.18533	29.2
421.20078	10.4
423.21527	15.8
433.20120	75.2
451.21173	79.3
452.21194	2.6
461.19363	3.9
469.22241	4.6
475.20938	3.8
479.20660	14.0
493.22095	14.3
497.21506	5.4
511.23288	52.3
533.25049	3.2
539.22632	6.8
553.23975	6.8
557.23846	4.5
571.25092	11.3
639.27551	4.9
671.30408	4.6
745.70807	2.4
746.92542	2.5
779.95227	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	748.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.05516	47.8
70.79550	6.7
73.83849	3.0
74.09719	4.4
79.05490	3.1
83.04986	100.0
86.07688	2.3
91.05473	7.6
95.04951	4.5
103.05463	13.0
105.07044	18.0
106.06557	2.9
107.08639	3.5
115.05430	6.0
117.07029	6.6
119.08583	12.0
121.10105	3.0
129.07030	4.2
130.23444	2.6
131.04922	29.8
131.08568	9.1
133.06483	7.4
133.10139	8.0
135.08081	3.8
140.33333	2.8
142.07742	4.3
143.08534	6.7
145.06505	3.5
145.10123	11.0
147.07999	8.5
149.09618	4.8
155.08545	3.3
156.09331	6.3
157.06522	2.9
157.10168	15.6
159.08086	6.2
161.05991	14.7
161.09615	9.2
163.11139	5.5
169.10127	10.6
170.10989	6.8
171.08076	5.0
171.11691	31.0
173.05939	4.8
173.09608	11.6
175.07521	6.8
177.09018	3.8
181.10130	3.2
183.07986	3.8
183.11768	24.9
185.09691	9.4
185.13200	25.2
187.11148	3.9
189.05542	4.9
189.09071	3.8
195.11662	5.4
197.09572	6.9
197.13229	8.1
198.10471	3.1
199.11224	6.9
201.09079	3.7
201.12807	5.0
207.11642	3.8
209.09579	3.8
209.13164	2.8
211.11205	10.5
213.12732	27.9
219.11731	3.1
223.11215	8.4
225.09041	4.2
227.10698	3.4
239.10632	3.5
241.08688	3.5
241.12315	3.7
243.13762	8.5
245.13359	3.4
245.15440	17.7
247.09555	3.7
255.13881	4.1
259.14862	3.7
261.12695	4.2
268.12488	3.2
269.13217	4.3
270.13760	3.6
271.13242	3.8
273.14893	14.0
285.12915	2.9
285.16296	7.4
287.14328	5.6
288.63354	4.0
289.12122	4.3
297.12943	4.7
299.18073	5.3
301.15628	3.3
303.17316	3.6
313.12311	3.2
313.15881	6.7
327.17529	7.1
329.15372	5.8
331.16913	11.5
341.15289	9.4
345.18704	7.0
349.17996	3.7
355.16928	15.3
359.16385	11.2
371.16379	3.3
373.18008	15.6
377.17432	4.4
383.16449	6.4
389.17419	3.1
391.18936	7.9
401.17337	11.7
403.19131	6.7
405.20541	13.3
415.19040	12.4
419.18527	5.7
423.21301	7.3
433.20181	42.7
451.21249	26.6
493.22168	21.9
511.23215	23.5
515.24048	8.0
553.24048	9.1
575.26154	6.3
593.26910	6.0
653.29633	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	748.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01875	5.9
55.05516	59.9
67.05501	5.0
69.03425	2.5
69.07047	4.2
72.20150	2.0
79.05480	7.6
81.03405	3.4
81.07063	4.7
83.01321	2.9
83.04987	100.0
91.05486	15.8
93.07052	17.0
95.04978	11.9
95.08625	10.5
103.05479	15.7
105.07031	27.3
106.09859	1.9
107.04969	3.3
107.08614	9.5
109.06487	3.9
115.05448	5.0
117.07024	12.1
119.04928	2.3
119.08599	17.9
121.06503	7.3
121.10167	6.6
123.08072	4.6
128.06218	6.5
129.07005	7.6
131.04939	30.2
131.08589	17.1
133.06497	17.7
133.10155	14.7
135.08073	15.8
137.09625	2.8
141.06993	4.8
142.07770	5.6
143.08548	14.8
143.53656	2.0
145.06494	9.7
145.10132	16.9
147.08080	10.4
147.11720	3.5
149.05931	3.9
149.09636	23.6
151.07545	7.2
153.07031	3.5
155.08554	6.8
156.09380	13.0
157.10144	24.7
159.08052	8.5
159.11684	6.2
161.06053	9.8
161.09651	8.7
163.07597	3.2
163.11168	4.0
165.07040	3.2
167.08575	5.4
168.09346	2.9
169.10139	20.0
170.10931	9.2
171.08104	11.3
171.11699	60.7
173.05960	2.7
173.09698	12.1
173.13316	4.5
175.07581	4.3
175.11179	4.2
179.07042	10.0
179.08543	4.2
180.09386	3.8
181.10144	6.0
182.10919	2.7
183.08119	4.3
183.11720	45.6
184.08795	2.8
184.12401	3.8
185.09648	8.9
185.13280	48.3
187.11172	6.5
191.10710	2.8
193.10181	3.8
195.11703	12.4
197.09596	7.5
197.13237	9.0
199.11192	17.5
200.11945	2.7
201.12794	4.0
205.10271	3.7
205.12251	3.8
206.10968	2.7
207.11723	8.3
209.09703	2.5
209.13351	6.3
211.11234	16.5
213.09355	3.3
213.12764	49.7
215.10715	5.5
216.09203	2.7
217.10243	3.5
218.10912	4.2
219.11827	4.9
220.12430	4.7
221.13335	7.6
223.11143	5.0
223.14766	3.9
225.09111	5.2
225.12854	2.3
227.10725	2.3
229.10246	3.6
229.12267	7.9
230.10777	3.1
231.11861	3.5
231.13892	4.8
232.12367	4.3
233.13235	7.8
234.14001	2.3
235.11172	4.1
235.14790	5.9
237.12732	2.3
239.10858	2.7
241.12302	5.8
243.11760	2.7
243.13826	18.3
244.12462	4.6
245.13229	6.5
245.15408	39.9
246.13837	3.0
247.11215	2.7
247.14932	4.7
248.11943	2.8
249.16454	5.9
251.14378	3.7
254.10797	2.1
255.13876	6.0
256.12460	3.8
257.11481	2.8
258.14053	6.1
259.14847	8.3
260.15509	2.4
261.12799	5.3
261.16364	4.8
262.13333	3.0
269.13171	4.4
270.13968	4.1
271.14926	3.8
272.11761	3.4
272.15543	3.4
273.14801	41.9
274.17145	2.2
275.14273	6.9
275.17896	7.2
277.15881	3.8
284.15732	2.6
285.16382	4.3
286.13391	2.9
287.14438	4.6
287.17868	5.9
288.15079	3.0
289.14584	6.6
289.19119	1.9
291.17685	2.6
297.12720	2.7
297.16351	2.6
298.13519	2.7
299.14291	4.3
299.17700	3.2
301.15839	8.3
302.16492	2.2
303.17398	13.7
305.18515	2.9
313.15784	3.5
315.17307	4.9
317.19025	7.9
319.16995	5.3
321.14651	2.8
321.18365	5.6
327.17551	5.6
331.16940	10.8
333.17947	4.0
335.20132	5.6
343.16885	3.7
345.18362	12.7
347.16455	2.6
349.17795	8.0
351.19598	2.7
355.16815	6.7
359.16388	5.7
361.17926	2.5
363.19745	9.7
365.21112	2.8
373.17899	13.8
375.19690	4.9
377.16998	3.6
377.21368	11.5
379.22736	3.4
387.19431	7.2
391.19110	13.1
393.20380	4.8
395.22238	8.0
401.17239	5.9
405.20639	38.7
419.18375	8.3
421.20407	3.0
423.21722	41.0
433.20123	7.3
441.22952	2.9
451.21323	23.8
465.22690	11.5
483.23807	27.4
493.22263	2.8
511.23071	8.2
525.24841	5.0
543.25885	21.8
583.29309	2.7
613.29779	6.5
614.74249	2.3
625.29846	4.9
643.30670	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	748.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.3
55.01871	3.0
55.05516	3.0
56.99547	1.6
61.88836	1.6
67.05504	3.2
68.05029	3.2
68.21507	1.6
69.03443	10.3
69.07056	1.9
70.06594	28.6
70.79336	4.7
75.77399	2.0
79.05496	6.7
80.05019	2.6
81.07031	4.9
82.02949	17.6
83.01334	3.8
83.04964	2.7
86.06070	20.6
86.33642	1.8
87.04471	13.8
90.30946	1.7
91.05477	12.3
93.07044	7.7
95.04970	13.1
95.08604	5.3
96.08163	2.1
98.06059	100.0
103.05502	8.8
105.03397	94.8
105.04477	3.1
105.07044	13.6
107.08521	3.5
108.04540	1.8
109.06501	2.1
115.05469	6.3
117.07021	35.0
119.08590	19.5
121.06485	2.9
121.10158	3.3
122.06033	14.4
124.07598	9.8
126.05515	2.7
128.06216	3.5
129.06979	9.1
131.04944	16.4
131.08586	15.3
133.06483	5.1
133.10120	12.2
141.06967	2.8
142.07774	6.4
143.04976	6.7
143.08554	15.3
145.06512	16.6
145.10109	10.6
147.08090	11.8
147.11629	2.0
150.05493	19.8
153.07037	3.1
155.08568	6.1
156.09373	11.0
157.06543	3.1
157.10127	16.2
159.08044	10.7
159.11684	4.3
161.05913	2.4
161.08524	2.2
161.09624	13.5
165.06996	3.7
167.08578	5.6
168.06573	18.8
169.10225	9.0
170.10939	8.5
171.08012	10.3
171.11690	29.1
172.08873	2.5
173.05891	3.0
173.09608	6.5
173.13234	3.1
175.07555	1.9
175.11099	2.2
179.08609	3.2
181.10120	5.7
183.08075	9.9
183.11725	17.2
184.08849	5.0
185.09601	4.3
185.13261	19.9
187.07484	1.8
187.11209	4.0
193.10115	4.7
195.08009	6.6
195.11754	10.1
197.09650	7.2
197.13222	4.9
198.10406	7.9
199.11182	24.6
200.10500	9.1
202.12245	12.4
205.10272	2.4
206.10873	2.2
207.07991	2.1
207.11633	3.0
208.12459	2.3
209.09668	8.0
209.13252	3.2
211.11171	7.4
213.12770	37.3
214.12230	2.7
217.10201	3.1
218.10918	3.0
219.11638	5.1
221.09642	4.1
221.13361	3.6
222.10254	2.2
223.07486	2.8
223.11197	5.0
224.04514	2.1
225.09120	3.4
228.10205	10.5
229.10287	2.5
230.11829	17.2
231.11673	6.6
231.13768	7.7
233.09773	2.0
233.13199	4.6
234.13968	2.1
235.11267	4.4
235.15013	3.0
237.09067	2.3
237.12810	3.3
241.12218	3.4
243.11777	6.7
244.12694	5.9
245.13217	9.9
246.11220	4.6
246.14058	4.9
247.11183	6.8
247.14882	4.9
248.12875	20.9
249.12859	3.3
249.16611	2.2
251.14389	3.3
255.11578	2.6
256.09760	7.1
256.12354	2.3
257.09482	2.2
257.13391	2.3
258.11456	4.2
258.14072	5.1
259.11124	3.7
259.13132	2.6
259.14917	6.8
260.12308	3.1
260.15610	2.2
261.12830	7.1
261.16452	6.3
262.13901	6.5
263.14322	4.5
265.12320	3.6
267.11636	3.3
268.12869	2.4
269.13315	5.8
271.11172	2.4
271.14847	4.5
272.11996	3.5
273.12631	4.6
273.16458	6.9
274.10748	10.7
274.13425	2.7
274.16904	2.5
275.10876	2.1
275.14334	7.4
275.17941	4.3
277.15918	4.4
280.12912	2.5
282.14160	4.5
283.11264	2.9
283.14841	3.9
284.11978	1.9
284.15634	2.3
285.16379	3.3
286.13553	5.2
287.14282	11.4
287.17261	1.9
288.12296	2.5
289.15958	3.1
290.16721	2.4
291.17392	4.8
296.15549	1.9
297.12695	6.0
297.16144	2.8
298.14008	3.1
299.14304	6.6
299.17883	5.0
301.16040	11.2
301.19000	2.4
302.16681	7.2
305.15225	2.4
309.12769	4.6
310.13812	2.9
311.14130	4.8
311.17923	4.1
313.15842	2.5
313.19305	3.1
314.16528	2.2
315.17538	5.4
317.15228	3.1
319.16867	8.1
320.17261	2.5
324.15189	5.3
327.13745	3.5
327.17450	4.3
328.14948	2.6
329.18958	6.5
339.17426	15.2
340.15335	3.8
341.18954	6.5
342.16272	2.6
357.18521	14.7
359.19971	4.1
367.16962	4.9
375.19547	3.2
385.17932	7.5
410.20828	2.0
424.22888	4.1
428.22412	4.3
430.20090	7.4
440.22580	3.5
442.23990	11.9
444.25507	4.2
452.22162	8.3
458.23218	11.4
460.24954	12.0
470.23260	47.3
473.21841	2.3
475.10184	2.0
476.24878	3.1
488.24396	61.6
489.24533	2.8
506.25436	21.0
524.26459	2.7
530.25562	10.8
548.26416	54.7
549.26233	2.9
566.27509	19.9
580.29883	2.4
584.28204	4.5
608.19312	3.4
608.28558	54.5
609.28613	2.2
610.27625	2.3
626.29510	8.7
652.28668	3.0
670.29785	7.2
688.30914	3.8
712.31158	16.7
730.32257	80.4
748.33527	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	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.8
57.03429	1.8
61.02935	4.7
67.05505	5.9
69.03436	3.5
69.07072	1.7
69.26437	4.0
69.26840	1.4
71.04987	0.6
71.08636	0.8
73.02919	3.9
79.05507	2.6
81.03439	3.3
81.07056	4.8
83.08632	1.2
85.02917	5.7
87.04461	0.9
89.06042	0.7
91.03975	2.4
91.05482	2.6
93.07059	3.4
95.04990	1.0
95.08610	3.7
97.02908	3.7
97.10177	0.6
97.97198	0.5
99.04474	1.1
101.02400	1.2
103.05482	0.6
105.07053	2.1
107.08608	1.5
109.02911	0.7
109.10182	1.6
111.08106	0.7
117.07014	0.7
119.08603	1.6
121.10170	1.8
127.03943	0.9
131.08588	1.3
133.08594	0.7
135.11728	0.9
145.10118	0.7
147.11723	1.1
149.13246	0.7
161.13260	0.7
175.11203	0.9
185.04427	0.6
193.12242	1.3
211.13307	0.9
243.08464	2.5
251.12538	4.3
259.08984	0.7
304.44952	0.7
335.25870	1.2
469.20459	5.6
519.29266	7.3
747.42853	100.0
748.43488	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	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01884	0.7
55.05504	1.4
57.03441	1.6
58.47831	0.3
61.02929	3.5
67.05511	3.1
69.03427	2.4
69.07066	0.5
71.05002	0.6
73.02924	2.9
77.19883	0.3
79.05489	2.1
81.03421	2.4
81.07050	3.4
83.08637	1.0
85.02912	5.3
87.04464	0.4
91.03976	2.6
91.05484	2.2
93.07040	2.6
93.32841	0.3
95.04964	1.4
95.08611	1.9
95.87041	0.3
97.02902	3.7
97.06547	0.4
99.04438	0.7
101.02365	1.6
103.05477	1.4
105.07001	1.6
107.08616	1.1
109.02887	0.9
109.06496	0.3
109.10182	0.7
111.08088	0.4
117.07010	0.3
119.08572	1.8
121.10171	1.3
127.03957	1.1
129.06990	0.5
131.04932	3.1
131.08568	1.1
132.05263	0.7
133.10173	1.1
135.11702	0.5
143.70335	0.3
147.08093	0.7
147.11737	1.1
149.09637	0.4
157.10159	1.0
163.07542	0.4
170.36855	0.3
173.13509	0.3
175.11301	0.5
185.04289	0.8
187.28337	0.4
193.12315	0.8
211.13298	0.7
243.08357	1.7
251.12532	0.8
469.20511	6.8
519.29401	3.8
523.28717	0.3
677.73785	0.3
747.42914	100.0
748.43146	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	747.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03553	0.3
53.03952	0.7
55.01866	0.4
55.05515	1.8
56.59948	0.3
57.03442	1.6
61.02928	5.1
65.03942	0.3
67.05505	5.5
69.03430	3.6
69.07069	1.1
71.01366	0.5
71.04992	0.6
73.02917	4.3
79.05506	3.7
81.03423	3.1
81.07063	5.2
83.08636	0.6
85.02908	6.6
85.06520	0.3
87.04485	0.4
91.03946	3.4
91.05477	2.8
93.07057	3.7
95.04990	0.8
95.08618	4.0
97.02894	5.5
97.03513	0.4
97.06551	0.4
97.10191	0.3
99.04458	0.6
101.02394	1.8
103.03922	0.5
105.07053	1.9
107.08603	2.0
109.02884	0.8
109.10185	1.2
109.78923	0.3
111.08099	0.4
115.03953	0.6
117.07036	0.6
119.08598	1.8
121.10144	2.0
123.11721	0.4
127.03916	1.6
129.06998	0.3
131.04955	0.5
131.08615	1.3
133.10167	0.9
135.11728	0.7
145.10199	0.8
147.11742	1.0
149.13329	0.5
157.10120	0.5
159.11746	0.7
173.13397	0.3
175.11215	0.4
185.04291	0.5
193.12204	0.6
203.05409	0.4
211.13297	0.3
241.31050	0.3
243.08292	1.8
251.12625	1.3
292.76205	0.3
335.25900	0.8
469.20435	4.2
519.29297	6.6
747.42902	100.0
748.43237	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	747.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.05503	2.0
57.03433	2.1
61.02926	5.1
65.78986	0.6
66.78384	0.6
67.05515	6.0
69.03433	3.1
69.07083	1.3
69.25254	1.4
69.25648	6.1
71.01362	0.6
71.08633	0.6
73.02918	3.6
79.05494	4.1
81.03423	4.3
81.07064	5.5
83.08641	1.5
85.02908	5.9
87.04478	1.0
89.06055	0.9
91.03955	2.7
91.05485	2.7
93.07040	4.4
95.04978	1.4
95.08612	4.2
97.02892	5.8
97.06523	0.8
98.20695	1.2
99.04483	1.0
101.02383	1.5
105.07043	1.3
107.08589	1.9
109.10188	1.5
117.07003	0.9
119.08548	1.7
121.10149	1.5
125.00037	0.8
127.03925	1.7
131.08563	0.9
133.10167	1.4
142.83760	0.7
145.04935	0.8
147.08107	0.7
147.11729	1.0
187.50784	0.6
193.12323	0.7
208.25655	0.6
211.13268	0.7
243.08485	2.2
251.12590	3.9
258.09180	0.9
469.20428	4.1
519.29437	7.0
534.64459	0.7
616.54944	0.7
705.71252	0.7
731.87836	0.6
747.42822	100.0
748.43201	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	747.3798
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03938	1.3
55.01884	0.6
55.05515	2.2
56.05033	1.7
57.03437	1.7
59.05002	0.6
61.02929	3.5
67.05506	2.4
68.25144	0.6
69.03421	3.4
69.07085	1.6
69.37918	1.3
69.38331	3.2
70.06597	1.4
71.04996	1.5
72.08147	0.8
73.02926	2.3
73.86460	0.5
79.05499	3.2
81.03422	5.3
81.07053	3.5
82.02990	0.6
82.06570	3.1
83.08627	1.6
84.08149	37.8
85.02921	5.5
87.04487	0.6
91.03976	1.7
91.05489	3.5
93.07030	3.4
95.04986	2.2
95.08624	1.6
95.37638	0.6
97.02896	3.1
97.06548	1.0
98.20779	1.0
99.04463	1.2
101.02417	1.5
103.05470	7.3
105.07053	3.8
107.04929	0.5
107.08620	2.5
109.02916	1.2
109.06548	1.4
109.10204	0.9
117.07028	0.9
119.08589	3.5
121.10152	3.2
123.04425	0.6
123.08125	1.0
123.11743	0.8
127.03964	1.7
128.07092	1.0
129.07016	1.8
130.07849	0.6
131.04935	12.7
131.08612	2.6
133.06522	0.9
133.10162	2.7
135.07997	1.4
136.07607	0.8
137.06001	1.5
139.07544	0.6
139.11183	0.8
142.07758	0.9
143.08600	1.8
145.10129	1.3
147.08076	0.9
147.11752	2.1
149.09679	2.1
155.08574	0.7
156.09361	0.6
156.49928	0.6
157.10133	3.7
159.08057	1.1
159.11694	1.4
161.09648	1.5
162.09216	1.8
166.78253	0.7
167.08704	0.6
169.10172	2.0
171.11665	3.6
175.11188	1.2
179.10661	0.9
181.10139	1.4
183.11703	5.2
185.13205	2.6
187.11282	1.7
193.10146	0.8
193.12315	2.1
195.11769	1.2
197.09767	0.9
197.13390	1.1
199.11243	1.0
207.11668	0.8
211.11150	1.1
213.12804	1.4
221.13359	0.6
228.13991	1.5
231.13857	0.7
232.12616	0.8
235.14871	0.7
243.08507	2.1
243.14061	1.0
247.15054	1.0
249.16646	0.9
259.15024	0.7
260.45828	0.6
261.16364	1.2
267.16049	1.2
269.13708	1.2
277.16055	0.9
283.15262	3.5
290.61920	0.6
291.17068	1.8
303.12918	0.6
305.15671	0.6
339.17841	0.8
443.18716	5.0
460.69449	0.6
469.20206	3.8
487.21582	5.5
501.23044	13.4
544.70154	0.7
581.31097	0.9
583.29022	1.1
599.32507	0.9
703.35187	3.0
715.36200	1.7
729.37628	5.3
747.37952	100.0
748.38806	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	747.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01865	3.2
55.05272	1.5
55.05516	20.3
59.31668	0.7
65.03930	0.9
67.05490	2.9
69.03421	2.6
71.05006	1.0
77.03958	0.9
79.05493	5.3
80.78191	0.7
81.03429	3.8
81.07049	3.4
81.38369	0.8
83.04985	33.6
85.02895	3.5
91.05489	7.2
93.07041	3.9
93.23949	0.8
95.04959	6.7
95.08604	3.6
97.02919	1.9
99.04486	1.2
99.14529	0.9
101.05994	1.5
103.05473	47.8
105.03380	3.5
105.04523	1.7
105.07038	12.0
107.04945	3.4
107.08587	3.4
109.02922	2.0
109.06512	2.9
109.10145	1.2
113.02361	1.4
115.05437	3.7
117.07012	7.0
119.04944	2.6
119.08585	10.4
121.02836	0.9
121.06511	2.5
121.10146	1.9
123.04408	1.5
123.08086	1.3
127.03942	2.5
128.06233	1.9
129.07040	4.0
131.04939	100.0
131.08580	6.3
132.05263	1.9
133.06485	6.5
133.10112	7.4
134.07220	1.1
135.04369	1.2
135.08055	2.1
135.11705	1.4
137.05963	1.1
141.06972	2.0
142.07767	3.5
143.08557	5.8
144.09335	1.3
145.06477	5.4
145.10095	4.7
147.04399	1.4
147.08049	3.8
149.05962	3.1
149.09650	5.3
154.07744	1.3
155.08531	2.8
156.09366	5.8
157.10132	17.6
158.10980	1.1
159.08058	4.1
159.11708	17.1
161.05989	7.5
161.09622	3.5
161.13354	1.0
163.07524	3.6
165.06973	1.5
166.07764	1.1
167.08604	2.9
169.10107	7.7
170.10863	2.9
171.08061	3.3
171.11696	13.5
172.08794	1.3
173.06017	1.7
173.09604	3.0
173.13245	4.6
175.07613	2.2
177.05489	1.1
177.09082	3.8
178.07672	1.0
179.06995	1.5
179.08505	1.9
181.10066	2.7
182.10854	1.2
183.08049	2.4
183.11679	10.1
184.08797	1.1
184.12331	1.2
185.09631	2.9
185.13249	4.5
187.06023	1.9
187.07585	2.7
187.11093	4.0
189.05440	1.3
189.09048	1.9
192.09402	1.5
193.08536	1.7
193.10181	2.1
195.08118	1.6
195.11636	3.4
196.12450	1.1
197.09650	2.5
197.13289	3.6
198.10420	0.8
199.11192	6.0
201.09056	1.0
201.12747	3.9
203.10616	1.0
205.08577	2.3
206.10873	1.1
207.06363	1.1
207.11664	2.8
208.12489	1.7
209.09634	2.8
209.13272	3.1
210.10344	1.0
211.07610	1.1
211.11185	3.2
211.14824	1.3
213.09091	2.5
215.10585	1.2
216.09338	1.0
217.08473	1.1
217.12140	1.4
219.11705	1.5
221.09644	1.0
221.13214	2.8
223.11217	1.9
223.14743	1.9
225.09068	3.2
225.12804	2.1
227.10692	2.3
229.08495	1.0
229.12175	4.3
230.11014	0.9
231.11856	1.6
231.13850	2.9
232.12462	1.2
233.13423	1.6
233.15417	3.1
234.13829	1.0
235.11264	1.9
235.14876	1.5
237.12698	1.9
239.10580	1.4
243.13890	2.1
244.12495	1.8
245.13330	0.9
245.15422	1.3
248.12047	1.0
249.12860	1.1
249.16296	1.8
251.14349	1.3
257.07986	1.9
257.13321	1.4
258.14063	1.4
259.14911	1.6
260.11887	1.3
261.14847	2.2
263.14319	1.6
272.11929	0.9
273.16080	0.8
275.14307	1.2
277.15872	1.7
287.14334	1.3
289.16019	1.1
298.13324	1.0
301.10587	1.6
301.15778	2.8
303.13663	1.0
303.17630	1.0
305.15317	1.2
315.13690	1.5
315.17331	1.3
317.15411	1.3
319.16995	1.8
329.15341	2.1
330.16022	1.0
331.16910	2.0
333.18491	0.9
343.17242	1.5
345.18546	1.4
347.16415	2.0
348.17154	1.4
357.14786	1.4
359.16315	0.9
361.18027	1.4
363.19675	1.0
371.16211	1.2
372.17087	1.2
373.17877	1.6
377.16891	1.0
379.19031	1.5
389.17419	2.6
390.17914	2.5
393.20773	1.2
403.14713	1.1
405.20541	1.8
418.18243	1.0
421.20013	3.1
422.20575	1.6
435.17975	0.9
450.20114	1.0
451.31302	1.3
463.17410	2.0
465.22440	1.3
481.18530	1.1
484.41791	0.9
514.99878	0.9
581.23328	1.5
687.28119	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.05261	1.4
55.05511	13.2
65.78851	1.1
67.05506	2.4
69.03436	1.1
69.07069	1.3
69.84602	0.8
69.87807	1.0
70.67191	0.9
70.78700	0.9
71.55478	1.2
74.58491	0.8
77.03953	0.9
79.05484	3.4
81.03413	2.7
81.07044	3.2
83.04990	22.3
91.05488	9.5
93.07028	4.7
95.04971	3.0
95.08607	2.4
103.05491	1.3
105.03409	14.6
105.07030	7.9
107.08595	3.8
115.05480	1.7
116.06273	1.2
117.07024	6.6
118.83173	1.0
119.08588	11.3
121.06550	0.9
121.10113	1.0
128.06223	1.2
129.06979	2.3
131.04932	2.2
131.08597	6.4
133.06548	1.4
133.10103	4.4
135.08057	3.3
137.05978	1.6
141.07013	1.2
142.07845	2.3
143.08585	4.4
145.06514	3.5
145.10129	4.4
146.07346	1.2
147.08075	4.8
147.11725	1.1
149.09645	2.3
155.08537	1.8
156.09331	2.4
157.10074	4.5
159.08040	3.2
159.11716	1.6
161.09665	4.0
163.07518	4.5
165.07097	1.5
167.08617	1.3
169.10094	2.2
171.08099	2.6
171.11728	6.3
173.06041	1.9
173.09644	3.2
173.13295	1.0
175.11221	1.5
177.09131	1.7
179.08534	2.8
181.10158	2.6
183.08089	1.0
183.11758	3.5
184.07317	1.8
184.08855	1.5
185.09674	4.3
185.13266	2.8
187.11252	1.5
189.09077	1.2
191.07063	1.7
193.10193	2.5
195.11708	2.6
197.09644	2.7
197.13341	1.9
198.10417	1.4
199.11226	7.7
201.09172	1.9
204.09352	1.0
205.10237	1.2
207.11664	1.4
209.09721	1.2
211.11191	2.4
213.12747	9.7
219.11665	2.1
221.09712	1.3
221.13336	2.1
223.11194	2.2
225.12703	1.4
227.93127	1.0
229.12315	1.2
230.11014	1.7
231.11792	2.3
233.13235	1.9
235.11151	1.3
237.12787	1.7
239.10692	1.5
243.11774	2.4
244.12427	1.5
245.13478	1.4
247.14764	1.6
249.12642	2.0
251.10527	1.4
251.14362	1.9
255.11740	1.3
257.13318	2.0
258.14023	1.4
259.11188	1.3
263.14301	1.5
266.11011	1.1
267.11563	1.4
269.13229	1.5
270.13904	1.3
271.14795	1.3
272.15417	1.1
273.12637	2.1
275.14417	1.3
275.17902	1.5
281.13290	1.1
283.14883	1.6
284.15750	1.4
286.13403	1.1
287.14182	1.6
287.17615	1.1
289.15955	1.8
291.13715	1.0
299.14340	1.5
299.17648	1.1
302.16568	1.1
311.14178	1.8
311.17719	1.5
325.19476	1.4
329.15448	2.3
329.19128	1.5
341.19122	3.0
347.16348	2.1
357.18448	2.6
359.20108	6.0
369.18710	6.9
372.16763	1.2
375.19556	3.1
377.20895	2.0
387.19611	23.1
401.21841	0.9
405.20602	12.9
419.22424	2.4
443.20410	2.6
447.21622	5.7
459.57141	1.2
465.22769	5.0
471.51828	1.0
507.23578	2.4
509.23224	2.1
525.24756	3.7
527.23950	1.0
541.25555	1.2
569.24994	1.2
601.28009	2.3
607.28864	3.1
625.29724	1.5
687.31470	100.0
688.31506	3.9
703.49023	2.1
747.41693	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01862	1.7
55.05268	1.1
55.05510	13.9
55.85843	0.7
57.21842	0.7
67.05500	2.6
69.07053	1.6
70.04037	4.0
78.10740	0.8
79.05492	3.7
81.03424	1.9
81.07059	3.2
83.04987	24.4
83.12065	0.8
86.09713	0.9
91.05480	11.5
93.07037	6.5
95.04956	3.6
95.08583	2.5
97.14930	0.8
98.20856	1.3
103.05467	2.3
105.03395	15.4
105.07033	6.3
107.08585	3.6
109.06487	1.4
109.10135	1.1
111.08033	0.8
115.05457	2.3
117.07016	6.1
119.04971	1.4
119.08574	9.6
121.06559	1.4
121.10169	2.1
125.00080	1.1
128.06232	1.7
129.06996	3.8
131.04924	1.8
131.08589	6.5
133.06473	2.0
133.10104	5.1
135.08047	2.4
141.06985	1.9
142.07780	2.4
143.08546	5.6
145.06548	4.2
145.07483	0.9
145.10109	3.5
147.08061	6.2
149.09605	1.9
155.08604	2.2
156.09338	3.2
157.06458	1.2
157.10120	5.4
158.07278	1.2
159.08043	3.8
159.11659	2.0
161.09561	4.1
161.18486	0.9
163.07527	2.4
165.06992	1.6
166.07741	1.6
167.08566	1.5
169.10117	3.6
170.10956	1.3
171.08028	3.3
171.11702	6.5
173.05928	1.6
173.09641	3.5
173.13278	0.9
175.07584	1.0
179.08519	2.2
181.10098	2.8
183.08060	1.2
183.11743	4.8
184.07391	1.0
184.08824	1.3
185.09669	4.2
185.13251	2.3
187.07552	1.5
187.11143	1.0
191.06975	1.1
192.09372	1.4
193.10071	3.4
194.10802	1.1
195.11659	2.7
197.09636	3.4
197.13260	3.2
199.11186	9.6
200.11975	0.9
201.09213	1.7
201.12825	1.2
204.09467	0.9
205.10168	1.0
206.10945	1.0
207.11694	2.5
209.09637	2.5
209.13332	1.8
210.10350	1.1
211.11143	3.8
213.12744	10.8
215.14244	0.9
217.10165	1.2
219.11682	2.3
221.09636	2.0
221.13225	2.0
223.11151	2.4
225.09096	1.0
225.12733	1.7
227.10654	1.1
229.12213	2.0
230.10817	1.1
231.11751	1.2
233.09706	0.9
233.13261	1.7
235.11166	1.5
235.14902	1.5
237.12917	1.2
237.16370	1.0
239.10626	1.2
241.12193	1.0
243.11707	1.8
244.12444	1.7
245.13255	2.2
247.14799	2.1
248.11823	1.2
248.15459	0.9
249.12665	2.3
249.16277	1.1
250.13365	1.0
251.14340	1.4
255.11697	1.6
256.12424	1.6
257.13315	1.8
259.15005	1.5
261.12778	2.1
262.13489	1.3
263.14264	2.0
265.09918	0.8
265.15839	1.2
267.11575	1.0
267.14102	0.9
268.12570	1.3
269.13232	3.8
271.14761	2.0
275.14212	1.0
275.17935	1.5
277.15884	1.7
281.13461	1.3
283.14828	2.7
284.15503	1.3
285.16348	1.2
289.15997	1.3
291.13669	1.1
295.14890	1.0
298.17087	1.2
299.17905	1.1
301.15854	1.8
302.16650	1.3
303.13882	1.8
311.14130	1.7
313.15854	1.5
313.19385	1.2
317.18915	1.4
319.13669	1.0
326.16675	1.3
327.13712	1.1
329.15250	2.6
329.18936	2.0
341.18921	3.7
343.16949	1.6
345.14691	2.1
345.18347	1.1
347.16248	1.6
354.16034	1.3
357.18274	3.8
359.20145	7.8
369.18549	7.5
375.19644	3.2
377.20972	2.3
387.19574	23.0
405.20657	12.6
419.22418	0.9
443.20456	1.7
447.21796	6.8
465.22858	6.0
469.23474	1.1
491.22083	1.1
507.23532	2.8
509.23273	1.9
525.24744	3.5
527.23993	0.9
569.25549	1.7
587.26221	2.2
601.27502	2.6
607.28760	3.9
687.31415	100.0
688.31458	4.3
703.50116	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
54.56699	0.6
55.01863	2.2
55.05518	0.9
55.71816	0.7
65.03944	1.1
67.05511	3.9
69.03437	7.3
71.01633	0.7
74.09693	1.5
77.03875	1.1
79.05495	5.0
81.03413	3.0
81.07069	1.5
83.01301	0.7
83.04988	1.1
85.02894	0.8
85.63175	0.7
88.10844	0.7
91.05492	5.2
93.07042	2.6
95.01326	1.3
95.04977	8.6
98.69719	0.7
98.76235	0.8
103.05476	49.2
105.04530	1.2
105.07035	11.8
107.04976	2.8
109.06487	1.3
111.04478	1.2
115.05444	4.1
117.07020	3.1
119.04941	1.8
119.08587	2.4
121.02861	0.8
121.06512	2.4
123.04475	1.2
125.06025	1.1
128.06261	2.7
129.07014	4.1
131.04935	100.0
131.08580	2.9
133.06503	10.0
135.04451	1.1
135.08064	2.2
137.06050	1.9
141.07010	2.3
141.89687	0.8
142.07829	2.2
143.08577	4.2
144.08128	0.7
144.86673	0.8
145.06491	4.8
145.10120	2.0
147.04408	1.3
147.08054	1.0
149.06017	1.5
151.07614	1.0
153.06970	1.8
154.07779	0.9
155.08595	2.9
156.09352	1.3
157.06577	1.2
157.10152	3.5
159.08054	2.6
159.11755	1.4
161.04640	1.0
161.05984	19.6
161.09625	1.0
163.07530	3.7
165.07045	2.1
167.08501	1.3
169.06520	2.2
169.10135	4.8
170.07298	1.1
170.10890	2.4
171.08064	2.9
171.11711	1.9
172.08734	1.0
173.06026	2.7
173.09605	2.9
175.07571	1.2
177.05400	1.1
177.09067	0.8
179.07100	1.5
179.08556	0.8
180.09364	1.1
181.10143	1.5
182.07217	1.0
183.08070	3.4
183.11685	1.2
184.07411	1.8
184.08847	1.7
185.06053	1.3
185.09596	3.9
187.07573	2.3
187.11188	2.3
189.09076	1.3
193.10214	1.8
195.08118	2.2
197.05997	1.5
197.09596	8.4
198.10388	0.9
199.07625	2.9
199.11244	5.4
201.09109	1.7
203.07053	1.6
205.08589	1.5
207.08041	1.3
207.11775	1.5
209.09653	1.5
211.07568	2.3
211.10939	0.8
213.09123	5.6
214.09860	1.1
215.07068	1.2
215.10709	2.7
217.08530	1.4
217.10385	0.9
223.07573	2.8
223.11226	1.6
225.05544	0.8
225.09099	13.9
227.07117	0.9
227.10670	1.3
229.08618	1.8
229.12263	0.9
233.07959	1.3
235.07558	1.2
235.11490	1.1
237.08958	0.8
239.06958	1.3
239.10715	2.4
241.08597	6.5
243.10214	3.3
247.09680	2.1
249.09111	1.1
249.12912	1.2
251.06981	1.0
251.10800	1.6
253.08559	1.4
255.10274	2.8
257.08038	9.9
257.11578	1.5
259.09555	4.2
267.10126	1.5
271.09903	0.9
273.11179	1.3
283.09662	1.6
285.11227	6.3
286.13681	0.9
291.10144	1.1
301.10562	3.8
303.12457	1.4
311.14420	1.2
313.12216	1.3
313.15707	0.8
317.15454	1.0
329.15295	1.0
339.13828	1.6
343.13101	1.0
345.14990	1.0
347.16367	0.9
357.14847	2.8
359.16434	1.3
361.14151	1.1
367.13321	1.5
371.14969	1.2
373.14374	1.3
375.15860	2.1
377.17722	1.2
385.14371	3.0
387.14670	5.6
391.15274	0.8
393.17032	0.8
395.13037	1.2
395.18484	1.3
399.16129	0.8
403.15576	4.4
413.13837	1.7
417.16989	1.3
419.14832	1.8
421.16089	1.5
431.14890	1.9
433.16550	1.6
435.18161	1.8
445.16312	4.7
449.16107	2.3
450.10306	0.8
451.17514	2.9
463.17529	10.8
471.18179	1.1
481.18427	6.8
489.19168	1.7
513.19122	1.0
519.20831	0.9
521.21729	1.8
531.20160	2.7
535.19141	1.0
537.20654	4.0
549.21082	7.5
567.22253	11.3
593.22675	0.8
629.24274	1.0
697.26453	1.1
747.39221	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	747.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51816	0.4
53.03936	1.8
55.01880	2.5
55.05270	0.5
55.05514	8.9
65.03926	0.6
67.05506	2.5
69.03429	0.8
69.21127	1.4
69.21550	3.2
79.05492	3.0
81.03407	2.5
81.07065	0.9
83.01335	0.7
83.04978	13.6
85.02877	0.4
91.05470	3.8
93.07034	2.0
95.01313	0.9
95.04967	7.1
95.08599	1.1
97.02854	0.5
97.06512	0.5
103.05466	46.9
105.03364	0.6
105.04515	1.1
105.07028	7.7
107.04963	1.5
107.08585	1.3
108.52282	0.4
109.06506	2.3
111.04442	0.7
115.05426	2.9
116.06181	0.4
117.07039	3.4
119.04967	1.2
119.08589	1.8
121.06540	2.2
123.04423	0.8
123.08010	0.6
124.70866	0.4
125.06007	1.1
128.06210	2.3
128.58592	0.4
129.07005	3.4
131.04926	100.0
131.08557	3.0
132.05232	1.0
133.06480	8.9
133.10138	0.8
135.04535	1.1
135.08060	2.0
137.05975	1.4
139.03941	0.6
141.06953	2.9
142.07753	2.2
143.08551	5.3
144.09285	0.7
145.06477	4.2
145.10114	1.0
147.08060	1.9
149.05968	2.8
150.27661	0.4
151.07603	0.7
153.05434	0.5
153.06952	1.1
154.07777	1.8
155.08559	2.7
156.09407	3.9
157.06496	1.7
157.10094	3.3
158.07280	1.7
159.04373	0.7
159.08063	4.0
159.11714	1.3
161.05977	14.3
161.09583	1.2
162.06848	0.6
163.07550	4.9
165.05545	0.6
165.06990	1.5
166.07813	1.2
167.08566	1.5
168.09404	1.1
169.06494	2.7
169.10106	6.2
170.07193	0.8
170.10953	0.7
171.07996	2.5
171.11678	4.4
172.08853	0.8
173.06018	1.6
173.09625	1.4
173.13387	0.6
175.07608	1.8
177.09106	1.0
178.07867	0.8
179.06990	2.1
179.08580	2.4
180.09294	0.6
181.06456	0.7
181.10112	1.3
182.07216	0.7
183.08041	3.8
183.11603	1.0
184.08833	3.6
185.06007	1.6
185.09627	4.0
186.10443	0.7
187.07562	1.8
187.11177	1.4
189.05391	0.6
189.09094	1.7
193.10178	1.2
195.08064	1.6
195.11679	1.1
196.08813	1.0
197.05951	0.5
197.09601	7.0
198.06746	0.5
198.10504	1.0
199.07527	2.2
199.11182	13.6
201.05620	0.4
201.09138	1.4
201.12801	0.6
203.07022	1.2
204.09369	0.6
205.08600	1.7
207.08102	1.3
207.11708	1.1
208.08937	0.5
209.09630	1.6
209.13263	0.8
211.07571	1.9
211.11195	1.7
213.05630	0.6
213.09163	3.3
215.07108	1.1
215.10648	2.4
216.09325	0.6
217.08568	1.9
219.08208	1.0
219.11760	0.9
220.08755	0.7
221.09793	0.9
221.13144	0.6
223.07555	2.5
223.11240	1.1
225.05411	0.5
225.09087	9.3
225.12616	0.8
227.07010	0.7
227.10669	2.0
229.08640	1.4
229.12184	0.8
230.10889	0.7
231.10014	0.7
232.08824	0.5
233.07864	0.9
235.07484	1.3
235.09540	0.9
235.11465	0.6
237.09056	1.3
237.12608	0.6
239.06943	0.5
239.10698	1.5
241.08482	3.7
241.12276	0.6
243.09932	2.1
244.12447	0.6
245.07968	0.9
247.09689	1.6
249.09149	1.7
251.06989	1.2
251.10776	1.3
253.08467	1.2
253.12256	0.7
255.07785	0.5
255.09972	2.3
257.08020	4.6
257.11609	2.5
259.09735	1.8
260.08521	0.6
261.12881	0.7
263.10721	1.1
265.08820	0.7
265.12256	0.5
266.09500	0.5
267.10150	1.8
269.07980	0.9
271.09467	2.4
273.11346	1.3
279.10220	1.0
281.11911	0.7
283.09668	1.5
285.11249	3.6
287.14114	0.8
297.12357	0.8
301.10464	2.5
301.15640	0.6
303.12109	2.6
305.15341	0.6
309.11322	0.9
313.15897	0.5
315.13654	1.3
319.16910	0.6
329.15216	1.4
331.13336	0.7
331.17050	1.3
333.14948	1.0
339.13657	1.0
341.15240	0.7
343.13196	1.0
345.14944	1.0
347.16226	1.2
357.14853	1.5
359.16269	1.5
367.13190	1.3
373.14395	1.8
375.15848	1.3
377.17706	1.1
385.14349	1.9
387.15878	0.7
391.15454	1.5
393.16937	0.7
395.18640	0.7
401.13931	1.6
403.15497	3.2
405.17108	0.9
413.13773	1.5
415.15457	0.6
417.16919	1.1
419.14938	1.8
421.16498	1.3
427.15347	0.7
431.14847	2.0
433.16400	4.4
435.17944	1.4
445.16629	3.2
449.15866	3.2
451.17731	3.1
452.69388	0.5
463.17514	11.2
481.18500	5.4
499.19281	0.7
571.70349	0.5
581.23584	1.1
593.21692	1.1
597.21124	0.6
599.22687	2.2
611.22931	5.7
629.23987	5.1
647.25110	2.3
669.26508	0.7
711.27625	0.5
728.56787	0.4
747.38812	0.6
771.40753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87368	0.5
53.03941	2.3
54.33915	0.5
55.01879	1.3
55.05515	8.9
55.25491	0.5
65.03931	0.6
67.05493	1.8
69.03426	1.4
69.35835	1.4
69.36239	4.0
77.03950	1.1
79.05504	3.9
81.03404	1.8
81.07039	1.3
83.04983	12.2
85.02907	0.9
91.05484	4.5
93.07050	1.9
95.04969	6.4
95.08605	1.2
103.05470	48.5
104.05776	0.7
105.04502	1.0
105.07036	10.4
107.04910	1.4
107.08619	0.7
109.06511	1.2
115.05436	2.9
117.07050	2.9
119.04914	1.5
119.08599	1.9
121.06506	2.0
123.04435	0.8
123.08064	1.0
125.05970	1.5
127.37631	0.6
128.06241	2.7
129.07025	3.0
130.11864	0.5
131.04932	100.0
131.08562	2.2
132.05286	1.0
133.06499	9.5
133.10181	1.0
135.08034	2.2
137.05998	1.6
141.06973	2.9
142.07788	1.9
143.08556	6.3
145.06502	4.0
145.10132	1.0
147.07997	1.0
149.06003	1.7
149.09673	0.9
152.06175	0.8
153.05624	0.6
153.07007	1.4
154.07806	1.9
155.08569	2.3
156.09375	3.6
157.06458	1.2
157.10121	2.9
158.07301	1.4
159.08105	4.0
159.11670	1.0
161.05984	15.4
161.09601	1.1
163.07544	4.1
165.05608	1.1
165.06998	2.3
166.07750	0.8
167.08589	1.8
169.06459	2.2
169.10175	4.4
170.10912	1.1
171.08043	3.5
171.11673	5.0
172.08806	0.8
173.05972	1.7
173.09573	1.3
173.13300	0.8
175.07564	1.8
177.05476	1.0
177.09108	0.6
179.07083	1.5
179.08586	2.8
180.09306	1.1
181.10092	1.8
182.07349	0.9
183.08047	3.7
183.11662	0.7
184.08875	3.2
185.06050	1.5
185.09656	4.4
185.13297	0.8
187.07555	2.3
187.11185	2.1
189.09125	1.3
192.09308	0.8
193.10178	1.7
194.11119	0.8
195.08066	2.4
195.11700	1.0
196.08902	0.8
197.06044	1.1
197.09634	8.0
198.06645	0.8
198.10349	1.1
199.07542	1.6
199.11194	15.7
201.09128	1.4
203.07005	1.4
203.10666	0.7
205.08633	2.0
207.08075	2.0
207.11749	1.3
208.09010	0.8
209.09575	1.8
211.07547	1.4
211.11186	1.8
213.09109	4.1
215.10571	3.3
217.08603	2.3
217.10368	1.3
221.09665	1.5
222.10414	0.7
223.07599	2.4
223.11211	2.3
224.11687	0.6
225.09102	11.1
227.07028	1.3
227.10701	2.0
229.08453	1.0
229.10381	0.7
229.12234	0.8
231.10068	0.9
233.09846	0.9
235.07542	1.4
235.09561	1.0
237.09099	1.3
239.10649	1.5
241.08511	3.4
241.12431	0.8
243.09915	3.5
247.09679	1.8
249.09203	0.7
251.07083	1.1
251.10706	0.6
253.08623	1.3
255.07924	0.7
255.10274	2.2
257.08060	5.8
257.11771	2.4
259.09726	2.3
263.10748	1.1
267.10074	1.4
269.12024	0.9
271.09744	2.0
272.11792	0.9
281.11777	0.8
283.09546	1.5
285.11194	5.3
289.12201	0.8
291.13712	0.7
301.10538	3.0
303.12436	2.6
307.09854	0.9
309.11237	1.3
315.13919	0.9
329.15256	1.3
331.16965	1.2
339.13577	0.7
341.15146	0.8
343.13370	0.7
345.14774	0.7
349.18124	1.2
355.13297	1.1
357.14752	2.2
359.15927	1.9
373.14261	1.5
375.16071	1.5
377.17395	2.2
385.14398	2.3
387.15686	0.7
388.90329	0.6
391.15558	1.4
393.16800	0.8
395.18561	1.4
401.13571	1.3
403.15408	3.3
413.13693	1.8
417.17044	1.0
419.14844	1.7
421.16663	1.7
431.15012	3.0
433.16351	4.0
435.17926	0.9
437.16095	0.9
445.16614	3.3
449.16058	2.8
451.17545	3.2
463.17545	12.4
481.18478	6.1
581.23462	1.0
593.20953	1.0
599.22528	1.5
611.22858	7.2
629.23993	4.5
647.24597	1.3
729.29053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01859	4.6
55.05517	49.7
65.59390	2.9
67.05492	9.8
69.03436	3.8
69.18861	28.2
69.19278	8.7
71.05029	2.8
75.53896	3.1
79.05485	8.8
81.03419	7.5
83.04988	72.0
85.02925	3.5
91.05508	19.0
93.07069	8.8
95.04955	11.6
95.08632	5.6
100.07601	5.3
103.05478	44.5
105.07048	22.3
107.04964	4.3
107.08636	5.2
109.06509	5.8
117.07012	13.8
119.04910	4.9
119.08578	22.9
121.06476	6.5
128.06166	4.3
129.06987	9.8
131.04942	100.0
131.08578	12.1
132.05315	4.4
133.06506	9.1
133.10112	12.4
135.08041	10.4
137.05962	3.6
141.06987	3.5
142.07825	3.8
143.08566	17.9
145.06487	10.3
145.10107	10.3
146.08159	8.8
147.08087	10.2
147.11638	4.3
149.05922	4.4
149.09656	5.5
155.08562	9.4
156.09354	7.7
157.10126	25.3
159.08150	8.5
159.11699	8.7
161.06030	15.4
161.09711	5.2
163.07579	5.2
167.08612	4.4
169.10132	12.8
170.10944	8.1
171.08047	7.8
171.11700	25.0
173.09612	9.7
173.13255	4.0
175.07578	5.1
177.05511	4.5
179.07103	5.5
179.08563	4.8
181.10217	8.7
182.11043	3.9
183.08112	3.5
183.11697	32.8
185.09654	8.3
185.13260	25.3
187.07462	3.7
187.11200	3.5
193.10220	5.3
195.08035	4.6
195.11713	4.7
197.09605	4.7
197.13193	4.5
199.07515	3.6
199.11171	12.1
201.09151	6.3
205.10149	4.8
207.11656	4.3
209.09561	4.5
209.13245	4.6
211.11115	8.6
213.09125	4.9
213.12770	17.0
217.12199	5.0
220.12411	3.9
223.11116	6.2
225.12706	4.9
227.10687	3.7
229.12344	3.9
231.11751	4.8
231.13754	5.2
233.15376	6.1
243.13861	7.2
244.12543	3.4
245.13251	7.5
245.15456	9.4
247.14980	7.7
257.13290	5.0
258.13989	5.4
259.15170	6.2
261.16449	3.6
267.15851	5.4
269.13077	4.0
270.14240	4.0
271.14926	5.7
285.12842	5.6
287.14471	5.0
299.14301	4.8
301.15872	5.9
303.17526	4.6
313.15811	4.6
321.18542	4.2
329.15280	6.7
331.16757	12.8
333.18436	4.7
341.15134	5.3
345.18512	5.8
347.16449	4.3
349.17874	8.7
359.16443	7.8
363.19531	4.6
373.18103	9.3
377.17374	8.8
391.18994	7.7
401.17465	9.3
405.20651	7.9
419.18515	9.7
423.21661	9.3
433.20486	16.6
451.21332	36.9
469.22345	19.0
499.30750	16.8
551.25885	12.3
569.27942	4.9
651.31055	7.6
734.45593	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	746.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01859	4.6
55.05517	49.7
65.59390	2.9
67.05492	9.8
69.03436	3.8
69.18861	28.2
69.19278	8.7
71.05029	2.8
75.53896	3.1
79.05485	8.8
81.03419	7.5
83.04988	72.0
85.02925	3.5
91.05508	19.0
93.07069	8.8
95.04955	11.6
95.08632	5.6
100.07601	5.3
103.05478	44.5
105.07048	22.3
107.04964	4.3
107.08636	5.2
109.06509	5.8
117.07012	13.8
119.04910	4.9
119.08578	22.9
121.06476	6.5
128.06166	4.3
129.06987	9.8
131.04942	100.0
131.08578	12.1
132.05315	4.4
133.06506	9.1
133.10112	12.4
135.08041	10.4
137.05962	3.6
141.06987	3.5
142.07825	3.8
143.08566	17.9
145.06487	10.3
145.10107	10.3
146.08159	8.8
147.08087	10.2
147.11638	4.3
149.05922	4.4
149.09656	5.5
155.08562	9.4
156.09354	7.7
157.10126	25.3
159.08150	8.5
159.11699	8.7
161.06030	15.4
161.09711	5.2
163.07579	5.2
167.08612	4.4
169.10132	12.8
170.10944	8.1
171.08047	7.8
171.11700	25.0
173.09612	9.7
173.13255	4.0
175.07578	5.1
177.05511	4.5
179.07103	5.5
179.08563	4.8
181.10217	8.7
182.11043	3.9
183.08112	3.5
183.11697	32.8
185.09654	8.3
185.13260	25.3
187.07462	3.7
187.11200	3.5
193.10220	5.3
195.08035	4.6
195.11713	4.7
197.09605	4.7
197.13193	4.5
199.07515	3.6
199.11171	12.1
201.09151	6.3
205.10149	4.8
207.11656	4.3
209.09561	4.5
209.13245	4.6
211.11115	8.6
213.09125	4.9
213.12770	17.0
217.12199	5.0
220.12411	3.9
223.11116	6.2
225.12706	4.9
227.10687	3.7
229.12344	3.9
231.11751	4.8
231.13754	5.2
233.15376	6.1
243.13861	7.2
244.12543	3.4
245.13251	7.5
245.15456	9.4
247.14980	7.7
257.13290	5.0
258.13989	5.4
259.15170	6.2
261.16449	3.6
267.15851	5.4
269.13077	4.0
270.14240	4.0
271.14926	5.7
285.12842	5.6
287.14471	5.0
299.14301	4.8
301.15872	5.9
303.17526	4.6
313.15811	4.6
321.18542	4.2
329.15280	6.7
331.16757	12.8
333.18436	4.7
341.15134	5.3
345.18512	5.8
347.16449	4.3
349.17874	8.7
359.16443	7.8
363.19531	4.6
373.18103	9.3
377.17374	8.8
391.18994	7.7
401.17465	9.3
405.20651	7.9
419.18515	9.7
423.21661	9.3
433.20486	16.6
451.21332	36.9
469.22345	19.0
499.30750	16.8
551.25885	12.3
569.27942	4.9
651.31055	7.6
734.45593	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	746.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01865	2.0
55.05506	2.6
60.73048	1.0
65.03944	0.9
67.05499	2.3
68.96375	0.9
69.03427	5.0
69.07065	2.1
70.06599	8.0
75.79733	0.9
78.73690	0.9
79.05481	2.7
81.03413	1.4
81.07045	3.0
82.02948	1.7
82.81121	1.0
83.04974	2.9
86.06071	11.8
87.04479	3.2
91.05489	7.1
93.07037	4.2
94.13180	1.0
95.04975	5.9
95.08597	4.6
96.04478	1.7
98.06062	25.1
101.09806	1.0
102.14320	0.9
103.05473	58.2
104.07096	1.2
105.03405	1.8
105.04503	1.8
105.07043	6.3
107.04953	2.1
107.08592	3.0
109.06519	1.9
115.05477	3.4
116.07045	1.1
117.07018	8.6
119.04956	1.2
119.08586	11.2
121.06512	3.0
121.10160	2.3
122.06061	2.0
123.06800	1.1
123.08064	1.5
124.07613	4.4
128.06232	2.2
129.06985	4.2
130.07791	1.2
131.04935	100.0
131.08572	7.6
132.05270	3.8
133.06450	2.8
133.10135	7.4
134.96812	1.1
135.08083	6.0
136.06190	1.6
140.07034	1.0
141.07040	1.4
142.07764	3.0
143.08591	7.0
145.06523	7.9
145.10127	7.7
147.08032	6.1
149.09641	4.0
150.05469	1.3
150.09128	1.1
152.07159	2.6
153.06967	1.6
155.08565	3.6
156.09358	4.6
157.10138	12.1
159.08060	7.5
159.11711	4.8
161.05969	3.1
161.09615	5.4
162.09184	2.1
163.07547	3.3
163.11209	2.9
165.06992	1.7
167.08536	1.4
168.06599	4.3
168.09227	1.0
169.10110	6.7
170.10901	3.5
171.08095	7.6
171.11696	13.0
173.05981	1.3
173.09682	7.6
173.13278	1.6
175.11201	2.6
179.08646	1.3
180.09244	1.7
181.08656	1.5
181.10178	3.2
183.08069	2.9
183.11713	34.0
185.09676	5.1
185.13295	13.4
187.11250	3.2
188.10649	1.3
189.09084	1.7
191.10658	1.4
193.10155	1.4
195.11725	3.6
197.09627	4.3
197.13307	5.1
199.11244	6.2
200.12166	1.3
201.09125	3.3
201.12819	1.8
202.12291	8.4
203.10713	2.0
205.12218	1.5
207.11740	3.8
209.09729	1.9
209.13239	3.1
211.11121	5.8
213.09306	1.7
213.12762	31.7
215.10681	1.3
216.13885	1.5
217.10329	1.5
217.12224	1.1
219.11774	2.2
220.12459	1.5
221.13268	4.5
223.11209	2.1
225.09207	2.1
225.12834	1.5
227.10670	1.5
229.12341	2.8
230.11775	7.3
231.10185	2.5
231.13885	3.9
232.12877	1.5
233.13425	1.7
234.14095	2.6
235.14980	1.8
241.12317	2.7
243.11761	2.2
243.13925	2.1
244.13094	3.1
245.15512	2.8
246.11490	2.3
247.11667	1.2
247.14848	3.2
248.12866	13.2
249.16412	4.1
259.13373	3.9
260.12708	1.1
261.12778	1.9
262.14267	2.8
263.14365	1.5
263.17975	1.6
264.12360	2.0
265.15927	1.7
267.17749	1.1
271.15018	1.6
273.14749	15.3
276.12265	1.2
276.15207	1.3
277.15942	4.2
284.15643	1.2
285.16492	2.5
286.14417	4.9
287.14499	1.7
287.17944	1.6
291.15646	6.8
295.17068	1.5
297.16058	1.5
299.14377	1.3
301.15994	1.9
301.19565	1.3
307.16754	1.8
311.17706	1.8
313.15912	1.4
315.17453	2.4
319.16904	2.5
327.17245	1.2
329.19016	2.6
333.18616	1.2
339.17435	2.1
343.16989	2.1
351.19312	2.4
357.18533	3.3
369.20673	6.0
375.19516	1.3
387.21472	2.0
388.20117	1.2
400.22754	2.0
428.22357	2.9
429.22662	5.4
442.23773	4.1
446.23264	2.5
456.25851	1.2
460.24918	2.1
470.23367	5.2
488.24359	4.9
490.25864	4.1
492.27637	2.3
502.25897	4.1
506.25330	4.5
508.26764	5.1
510.28378	1.4
520.27069	9.8
538.28070	18.2
539.27972	1.2
548.26416	2.5
566.27466	5.9
580.29254	5.5
598.30322	22.8
616.31177	2.6
714.32440	2.9
728.33691	2.5
746.35254	40.2
747.34827	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	746.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.3
55.01857	2.3
55.05513	17.9
56.05054	1.6
56.08043	1.7
67.05515	4.5
69.03423	7.5
69.07088	2.5
69.18283	12.8
69.18692	6.9
70.06599	15.1
71.05013	2.0
77.63801	1.7
79.05492	6.9
81.07047	5.9
82.02946	9.4
83.04977	22.5
84.04501	2.0
84.88094	1.7
86.06081	18.6
87.04460	8.4
91.05486	13.3
93.07031	6.9
94.06580	3.7
95.04955	6.9
95.08611	4.4
97.06522	2.5
98.06065	53.2
103.05471	63.9
105.03404	5.3
105.07032	23.3
107.05022	2.4
107.08611	9.3
109.06493	2.7
115.05422	12.1
117.07027	40.5
119.04926	2.7
119.08591	22.0
121.06486	3.8
121.10149	3.1
122.06047	9.4
123.08121	2.2
123.13377	2.1
124.07609	8.3
128.06218	2.8
129.07018	9.8
131.04935	100.0
131.08574	18.2
132.05289	2.4
133.06491	12.1
133.10129	21.1
135.08058	5.6
137.45178	2.1
141.07013	5.4
142.07755	4.7
143.04935	5.1
143.08566	16.2
145.06474	16.8
145.10130	13.4
146.08157	5.0
147.08075	8.0
147.11700	3.1
149.09604	8.9
150.05510	14.4
153.07008	4.7
154.32925	1.9
155.08601	9.1
156.09392	12.0
157.06502	4.6
157.10124	27.3
159.08066	9.0
159.11697	10.1
161.05975	6.2
161.09657	8.5
162.09212	2.9
163.07513	3.0
163.11214	2.7
165.06995	4.5
167.08575	5.5
168.06602	11.0
169.10104	12.7
170.10928	11.0
171.08047	8.1
171.11707	39.7
172.08766	3.1
173.05971	2.6
173.09645	9.9
173.13292	4.9
175.07584	4.6
175.11119	3.5
179.08551	3.9
180.09419	3.0
181.08600	5.3
181.10155	8.0
182.10930	2.4
183.08150	5.2
183.11703	51.6
185.09702	9.8
185.13257	35.9
187.11232	6.6
189.12793	2.0
191.06999	2.5
193.10165	4.7
195.08072	3.3
195.11690	9.5
197.09622	8.0
197.13278	10.1
198.10423	4.0
199.07533	2.0
199.11171	14.4
200.10747	8.0
201.12665	4.9
202.07162	5.6
202.12299	15.7
203.14265	2.9
205.10243	2.9
205.12154	2.2
206.11404	2.5
207.11771	6.4
208.12602	2.1
209.09616	5.1
209.13368	2.6
211.11189	8.5
213.09258	3.1
213.12750	33.8
214.12434	5.8
215.10667	3.0
215.14302	2.0
217.10306	2.8
217.12236	4.5
218.11644	2.9
219.11731	4.7
220.12491	3.7
221.13283	5.9
223.11217	4.3
228.10172	7.7
228.13730	3.1
229.10245	3.5
229.12300	4.9
230.11815	20.9
231.11737	5.5
231.13870	5.8
232.12505	4.7
233.13245	4.9
233.15436	2.5
235.11275	3.6
235.14780	4.7
237.16599	2.2
241.12386	4.6
243.11832	3.9
243.13802	6.0
244.12619	6.5
245.13251	5.9
245.15375	12.3
246.11238	11.6
246.13992	4.8
247.11177	2.9
247.14774	8.6
248.12857	43.7
248.15341	2.4
249.12764	2.8
249.16484	4.5
251.10930	2.3
251.14252	2.5
255.13904	4.5
256.09744	4.5
257.13278	4.2
258.11252	3.4
258.14117	6.4
259.11148	3.3
259.14752	7.4
260.12564	6.4
260.15384	2.8
261.12665	3.3
261.16422	4.4
262.14154	2.8
263.14172	2.7
265.15906	2.7
269.13226	3.3
270.13980	4.6
271.14957	4.4
272.15607	3.5
273.14627	16.4
274.10687	6.7
274.13400	2.7
275.14282	3.6
276.12146	5.2
282.14490	3.8
283.14832	3.1
285.12909	2.6
285.16400	6.5
287.14337	6.3
287.18063	4.4
289.15869	4.0
291.16068	5.9
296.15588	3.7
297.16235	5.1
298.13824	3.1
299.14362	3.3
299.17844	3.2
301.15958	4.6
307.16864	2.8
313.15796	2.6
315.17334	3.4
317.15533	2.6
319.16797	2.4
329.15173	2.9
329.18893	3.9
331.16763	2.6
339.17331	7.5
345.18539	3.4
349.18140	2.7
351.18231	8.0
355.16919	3.9
357.18546	4.0
359.16235	2.5
359.20126	2.8
360.17490	2.2
373.18057	4.9
375.19757	2.2
378.17004	3.8
385.17999	2.6
391.18918	3.9
401.17511	4.1
405.20328	5.2
410.20621	2.0
415.19046	2.0
416.22150	3.1
418.23785	3.1
419.18423	6.9
421.19818	4.1
428.22281	6.7
433.20145	10.8
437.19656	4.7
442.23746	10.6
451.21146	13.9
452.22198	4.7
458.23117	8.2
460.25015	9.5
469.22266	14.6
470.23441	12.8
488.24359	19.8
490.25815	10.8
502.25958	13.0
506.25308	7.8
520.26898	25.5
524.26825	2.4
537.24420	2.2
538.28174	11.9
548.26727	9.3
551.25824	2.7
566.27692	15.8
569.27728	4.5
580.28613	6.3
598.29834	8.7
618.30609	4.4
637.29779	2.8
646.30493	3.1
696.31561	4.2
714.32660	28.1
728.34235	8.9
746.35101	34.4
747.36572	3.0
754.91583	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.05504	8.2
60.15186	2.0
64.42253	1.6
67.05476	2.4
69.03432	6.9
70.06592	12.2
77.03928	2.3
77.39224	1.6
78.88358	1.7
79.05501	3.6
81.07048	5.9
82.02947	9.4
83.04996	11.5
86.06073	16.6
87.04460	9.6
89.83265	1.5
91.05475	12.3
93.07072	8.4
95.04985	5.2
95.08614	3.6
97.06530	2.0
98.06058	56.8
103.05473	56.7
105.03400	5.7
105.07045	12.4
107.08603	5.3
108.46303	1.7
109.06529	4.2
115.05438	5.9
117.07021	33.8
119.04954	1.8
119.08586	16.4
121.10166	2.0
122.06030	8.7
124.07596	9.3
128.06223	3.9
129.07014	7.8
131.04935	100.0
131.08563	14.5
133.06514	6.0
133.10127	18.6
135.08038	3.2
141.07004	3.7
142.07787	4.8
143.04941	6.5
143.08549	11.5
145.06491	15.4
145.10136	8.2
147.08093	4.6
149.05951	1.8
149.09576	5.2
150.05495	13.7
152.07124	3.2
153.06906	2.2
155.08565	6.8
156.09300	9.1
157.06499	2.6
157.10136	20.3
159.08029	7.6
159.11699	10.2
161.05977	5.1
161.09633	10.8
162.09177	1.6
163.11183	1.8
165.06946	2.5
167.08554	5.1
168.06602	12.3
168.09343	3.6
169.10088	14.8
170.10941	8.7
171.04259	1.8
171.08083	4.3
171.11687	32.6
173.09607	6.0
173.13252	6.1
175.11192	2.5
179.08632	2.4
181.08647	3.8
181.10127	5.6
183.08124	4.5
183.10089	2.5
183.11696	47.1
185.09694	4.5
185.13255	27.1
187.11227	4.9
193.10126	3.6
195.08023	2.5
195.11682	5.6
197.09644	7.6
197.13277	6.3
198.10304	2.7
199.11153	8.7
200.10696	5.1
201.09073	1.8
201.12807	3.5
202.12291	12.7
205.12399	2.1
206.41331	1.8
207.11736	5.4
209.13213	2.8
211.11191	7.3
213.12770	29.5
214.12149	2.5
215.14206	2.4
216.13953	1.8
217.12126	2.0
218.11717	3.4
219.11714	4.4
221.13361	3.3
222.13933	2.3
223.11214	4.7
225.09023	2.3
225.12692	2.0
227.10651	2.6
228.10149	6.5
229.12306	4.1
230.11760	25.6
231.11861	3.2
231.13849	7.5
232.12502	3.0
233.13287	5.0
234.13933	2.4
235.11302	2.2
237.16368	1.8
241.12292	5.4
242.11868	2.0
243.11720	3.7
243.13882	4.2
244.12621	5.4
245.13171	4.1
245.15372	14.4
246.11292	10.1
246.13777	2.9
247.11246	4.6
247.14778	7.5
248.12852	40.6
248.15207	1.5
249.12781	4.2
249.16504	3.0
251.14397	2.0
255.13869	2.8
256.09760	3.7
256.12497	2.1
257.13248	2.9
257.79193	1.6
258.11285	3.1
258.14026	3.8
259.14825	6.8
260.12592	4.7
260.15515	3.2
261.12674	4.0
261.16510	2.4
262.14111	3.9
267.11511	2.1
269.13245	2.8
270.14066	3.9
271.14853	2.4
272.15829	1.7
273.14575	9.7
274.10739	5.5
274.14084	2.5
274.76697	1.7
275.14468	3.2
276.12314	3.2
281.13150	2.8
283.14713	2.6
284.15634	2.6
285.16339	5.7
286.14020	3.1
287.14297	3.3
287.17688	2.0
289.15894	3.7
289.19199	2.0
291.15515	4.2
296.15506	2.9
297.12729	2.3
297.16245	4.2
298.14093	3.3
299.14124	4.7
299.17786	4.4
301.15775	2.6
309.16348	1.9
311.17828	2.5
313.16022	2.0
315.17352	5.4
324.15500	2.5
327.17371	3.9
329.19049	3.3
333.17087	3.4
339.17429	5.0
351.18121	7.4
355.17014	2.3
357.18359	3.8
360.17969	2.5
373.17877	2.0
378.17050	5.1
401.17426	2.7
416.22202	4.5
424.22873	2.5
428.22119	6.5
433.20175	3.3
442.24136	8.4
446.23392	2.2
451.21350	5.1
452.21997	3.9
458.23160	8.3
460.24847	8.3
469.22180	6.8
470.23395	15.3
488.24515	17.8
490.25958	10.4
492.27585	4.4
502.26102	14.1
506.25558	8.8
520.26971	20.7
530.25848	2.1
538.27979	12.0
548.26404	7.2
562.28113	2.4
566.27704	15.7
573.92981	2.1
580.29065	7.1
598.29822	8.3
637.29260	2.5
696.31647	4.2
714.32721	28.5
728.33990	8.7
746.35223	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	745.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67974	0.3
53.03951	1.0
55.01868	0.4
55.05526	2.1
57.03442	2.8
57.07100	0.4
58.32158	0.3
61.02934	5.6
62.46815	0.3
67.05508	8.6
68.05856	0.6
69.03434	3.9
69.07068	1.9
71.01350	0.6
71.04996	1.1
73.02930	3.7
74.09716	1.1
75.04456	0.4
79.05499	5.6
80.05853	0.5
81.03443	1.8
81.07064	8.1
82.07404	0.9
83.04985	0.9
83.08636	1.5
85.02915	6.4
86.09743	0.5
90.71907	0.3
91.03964	3.4
91.05485	3.2
92.05811	0.5
93.07052	6.4
94.07393	0.8
95.04984	1.2
95.08609	5.6
96.08923	0.5
97.02895	4.7
97.06535	0.8
97.10203	0.7
98.21500	1.3
99.04483	0.8
101.02383	1.2
105.07034	2.3
106.07405	0.7
107.08598	3.8
108.08933	0.4
109.02928	0.6
109.06539	0.7
109.10159	2.3
111.08081	0.7
117.07017	1.4
118.07417	0.3
119.08607	1.6
121.06510	0.4
121.10166	3.2
122.10476	0.4
123.11699	0.6
125.00021	0.5
127.03927	1.4
131.08578	1.6
132.08946	0.4
133.10178	1.0
135.11699	3.0
136.12085	0.4
137.13231	0.5
145.10155	2.0
147.11707	1.0
149.13287	0.5
159.11769	1.0
161.13307	0.4
163.11179	1.7
181.12263	0.6
184.07367	1.2
193.12259	0.5
203.05339	0.4
211.13373	0.6
227.12807	1.6
234.71135	0.4
243.08327	2.4
249.11002	12.5
286.17307	0.5
287.17624	0.4
305.13657	1.2
335.25861	1.9
336.26248	2.1
337.26627	0.8
467.18893	6.1
504.36969	0.6
519.29309	8.0
529.38416	0.4
530.39008	1.7
546.38794	1.0
547.39246	1.2
548.39807	2.6
550.84045	0.4
583.36426	0.6
590.49615	0.4
745.41357	100.0
746.41565	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	745.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01869	0.5
55.05518	2.8
57.03424	2.4
57.07074	0.5
61.02933	3.8
65.03950	0.4
67.05510	8.2
68.05833	0.6
69.03442	2.8
69.07074	2.1
69.84747	2.0
71.04992	0.7
71.75645	0.5
73.02936	2.6
79.05505	5.9
80.05859	0.9
81.03442	2.0
81.07063	8.5
82.07403	1.0
83.04987	1.2
83.08625	1.8
85.02901	3.4
87.04497	0.4
91.03962	2.0
91.05495	3.4
93.07051	6.2
94.07384	0.8
94.64324	0.4
95.04972	1.4
95.08612	5.5
96.08985	0.5
97.02896	3.9
97.06541	0.7
97.10192	0.8
99.04449	0.9
101.02411	1.8
105.07063	1.9
107.04985	0.4
107.08606	4.1
109.02899	0.7
109.06493	0.5
109.10162	1.9
115.03912	0.5
117.07057	1.7
119.08611	2.2
121.06588	0.5
121.10159	2.8
123.11755	0.6
127.03951	1.1
129.06992	0.6
131.08614	1.4
133.10159	1.5
135.11714	4.1
145.10152	1.9
145.11172	0.4
147.11676	0.7
149.13379	0.8
159.11743	0.5
163.11209	3.5
164.05978	0.4
165.06732	0.5
172.77017	0.4
181.12236	0.8
185.04260	1.0
201.16505	0.5
211.13275	0.5
219.09904	0.4
227.12750	3.5
243.08440	2.6
249.11009	8.8
269.17618	0.7
286.17514	0.6
287.17838	0.4
291.15945	0.4
305.13559	2.3
325.23825	0.7
335.25885	1.4
336.26212	1.7
337.26492	0.7
467.18979	11.0
490.36307	0.9
519.29401	5.5
530.39380	1.7
546.38409	0.6
547.39276	1.0
548.39508	3.6
710.49390	0.5
745.41357	100.0
746.41632	5.5
749.28680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.05514	0.4
62.36717	0.3
67.05501	0.7
69.03431	0.5
70.06587	0.4
71.55141	0.5
71.55516	0.4
79.05503	1.2
81.03429	0.9
81.07063	1.1
83.04991	0.7
86.25211	0.4
87.04476	0.5
91.05489	3.0
93.07064	1.8
95.04989	0.6
95.08616	0.7
99.99284	0.4
103.05477	1.3
105.03407	1.2
105.07050	1.8
107.08596	0.8
107.91978	0.4
108.83438	0.4
109.06538	0.6
109.10169	0.6
116.07082	0.5
117.07017	0.8
119.08584	5.1
121.06507	0.4
121.10195	0.7
129.07034	1.6
131.04930	2.2
131.08578	2.0
133.10167	1.1
142.07832	0.4
143.08624	1.2
145.06523	0.6
145.10110	2.5
147.08025	2.6
149.09659	1.0
155.08580	0.8
157.10172	1.2
159.08080	0.7
159.11716	1.0
161.09651	0.8
169.10205	0.8
171.08008	0.5
171.11746	1.0
173.09702	1.4
175.11211	0.4
181.10260	0.4
183.11684	2.8
184.07442	0.8
185.09637	1.0
187.11221	0.6
195.11795	0.5
199.11223	0.6
201.09073	0.5
211.11237	0.8
215.10446	0.5
221.13322	0.5
306.08838	0.4
315.17319	0.7
355.95493	0.5
429.20511	1.5
447.21439	11.5
448.21881	0.6
475.20883	6.3
488.24057	0.8
517.97321	0.5
595.27185	1.4
597.24640	6.5
623.26093	2.1
744.51538	0.5
745.29883	100.0
746.29932	5.5
760.15619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01869	2.0
55.05501	1.2
63.02390	0.4
65.03925	0.6
67.05493	1.6
69.03439	1.0
69.39076	0.6
69.39490	2.5
70.06587	0.5
71.05009	3.0
72.08162	0.9
74.09709	1.0
77.03933	0.9
79.05500	2.7
81.03421	3.2
81.07060	1.3
83.04992	2.1
86.06067	0.4
91.05486	5.9
93.03383	0.4
93.07057	2.7
95.01347	0.5
95.04970	9.3
95.08613	0.9
97.06510	0.5
99.04462	2.8
103.05475	50.3
104.05760	0.7
105.03391	0.8
105.04522	1.1
105.07032	7.4
107.04955	1.2
107.08614	1.1
109.02875	0.4
109.06534	2.4
110.48640	0.4
111.04450	0.5
115.05457	3.1
116.06250	0.7
117.07020	3.5
119.04962	1.6
119.08589	3.3
121.06493	2.9
121.10156	0.4
123.04423	1.1
125.06006	1.0
128.06253	3.1
129.07024	4.1
131.04935	100.0
131.08569	5.2
132.05269	0.8
133.06500	5.0
133.10130	1.3
135.04399	1.3
135.08035	2.8
137.02365	0.5
137.05991	1.3
139.03925	1.3
141.07018	3.0
142.07799	1.8
143.08580	4.2
143.96515	0.4
145.06491	4.8
145.10138	1.4
147.04395	0.6
147.08020	2.6
149.05969	2.0
149.09615	0.7
151.03940	0.4
151.07565	0.9
152.06221	0.7
153.05498	1.0
153.07008	1.9
154.07799	1.5
155.08549	3.6
156.09331	1.4
157.06494	1.8
157.10104	3.0
158.07256	0.6
159.04417	0.7
159.08058	6.5
159.11739	0.9
161.05988	8.7
161.09653	1.8
163.03894	0.5
163.07541	3.5
165.05557	0.7
165.07008	1.7
166.07799	0.8
167.08588	2.1
168.09398	0.5
169.06509	3.2
169.10124	3.4
170.07213	0.7
170.10880	1.0
171.08055	4.1
171.11710	1.7
172.08929	0.8
173.05978	2.3
173.09665	1.8
175.07539	2.1
177.05507	1.3
177.09109	0.9
178.07819	1.1
179.07047	1.7
179.08595	2.3
180.09258	0.8
181.06566	0.7
181.10182	1.3
182.07295	0.9
182.10989	0.5
183.08063	3.2
183.11699	1.4
184.08867	0.6
185.05968	1.0
185.09625	3.9
186.10312	0.6
187.07593	4.4
187.11182	1.3
189.05492	1.7
189.09116	2.1
190.07605	0.7
191.07051	0.6
191.08557	0.5
192.09399	1.0
193.10136	2.3
195.08165	2.1
195.11687	1.3
196.08859	0.8
197.06000	1.0
197.09613	5.8
197.11096	0.5
198.06732	0.8
198.10379	0.9
199.07599	3.1
199.11156	3.5
201.09097	2.0
202.07774	0.8
203.07024	1.8
203.08748	0.8
203.10637	0.5
204.09413	0.9
205.08606	2.2
205.10243	1.2
206.10808	0.6
207.08057	1.1
207.09947	0.6
207.11784	1.7
208.08748	0.6
209.06026	0.6
209.09549	2.0
209.13327	0.8
211.07556	1.6
211.11230	1.1
213.09132	4.0
214.09988	0.4
215.06883	2.0
215.10713	1.8
216.09425	0.5
217.08501	3.7
217.10153	0.7
217.12073	0.5
218.10959	0.6
219.08177	0.7
219.10114	1.5
219.11891	0.8
221.09807	2.0
221.13339	0.8
223.07558	1.2
223.11212	1.6
225.05571	1.1
225.09122	8.0
227.07065	1.2
227.10719	1.6
229.08636	1.5
230.10898	0.9
231.06441	0.6
231.09927	0.6
231.11858	0.8
232.08813	0.6
233.07881	0.8
233.09912	0.6
233.13327	1.0
234.10420	0.8
235.07474	1.1
235.09497	1.0
235.11508	0.9
236.11911	0.6
237.09048	1.1
237.12727	0.6
238.09811	0.6
239.08740	0.9
239.10780	1.5
241.08505	3.7
242.10999	0.9
243.06500	1.0
243.09872	2.2
243.12238	0.6
244.12538	1.2
245.08156	1.3
245.13434	0.7
246.10460	0.9
247.09547	6.1
249.09164	1.1
249.12813	0.7
251.07233	0.5
251.10699	1.5
253.08685	1.1
254.10991	0.6
255.10214	1.4
256.12518	0.9
257.08035	6.5
257.11652	0.7
259.09479	3.6
259.14767	0.7
261.09088	1.0
261.12961	0.5
262.09766	0.6
263.10693	1.3
264.11542	0.6
267.10211	1.4
268.12518	0.4
269.13528	0.5
271.09467	0.6
274.09833	0.4
274.13535	0.5
275.09097	0.6
275.12820	0.7
277.15836	0.4
278.09668	0.4
279.10254	0.9
281.11786	0.8
283.09454	0.7
283.14877	0.9
285.11047	3.3
285.16153	0.5
286.13663	0.4
287.10324	0.6
287.14478	0.5
288.11514	0.5
289.12323	0.9
289.15555	0.6
291.10141	0.9
291.13791	0.5
297.12558	0.5
298.13379	0.6
299.13974	0.7
301.10583	2.9
301.15891	0.9
303.12192	2.6
305.11810	0.5
305.15320	0.7
309.11816	0.5
311.13196	0.5
313.12122	0.8
313.15680	0.6
315.13718	1.1
317.11884	0.5
317.15353	1.1
319.12329	0.8
324.11469	0.7
325.11783	0.7
326.13110	0.4
327.13519	0.7
329.15302	2.0
331.13306	0.9
331.16910	0.9
339.13681	1.0
341.14438	0.7
342.12366	0.5
343.13196	1.0
345.14734	0.8
347.16440	0.8
349.14099	0.4
355.13101	0.5
357.15021	2.5
359.16183	1.3
361.14365	1.1
363.15717	0.5
367.13147	0.9
371.12650	0.8
373.14288	1.9
375.15887	1.6
376.16345	0.5
377.17453	1.1
383.13113	0.6
385.14258	2.1
389.13553	0.6
391.15503	1.1
393.17267	0.7
395.12775	0.5
399.15042	0.7
401.14059	1.2
403.15280	3.7
407.14767	0.7
413.13763	1.2
417.15894	1.9
419.14896	1.4
421.16345	2.0
431.14682	2.5
433.16470	1.1
435.17914	1.9
439.17636	1.2
445.16370	2.1
449.10269	0.4
449.15808	2.0
451.17819	1.3
455.16827	0.5
463.17410	6.3
475.20245	0.4
481.18695	4.3
489.11282	0.5
489.18747	0.7
493.22311	0.5
499.19531	0.6
501.19159	1.0
519.20123	1.0
531.19434	0.5
533.21912	0.9
537.21405	3.6
547.19556	2.1
549.21295	1.0
551.22644	0.5
561.21362	1.9
565.21313	0.6
567.22235	0.9
569.23438	0.5
573.21143	1.5
579.22351	4.1
597.23334	3.3
727.27356	0.7
745.28406	1.8
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
53.03932	2.3
55.01876	2.0
55.05267	1.0
55.05517	15.7
57.03442	9.1
57.07061	2.5
59.04983	3.4
61.02916	3.7
65.03919	2.6
66.96853	0.8
67.05508	94.4
68.05830	0.9
69.03419	2.4
69.06726	1.1
69.07071	14.3
69.20626	8.7
71.04996	21.5
73.02906	0.7
73.54717	0.8
77.03932	1.2
79.05498	35.8
81.03406	3.6
81.07061	42.2
83.04971	3.3
83.08615	9.2
85.02894	3.4
85.06523	3.3
87.04500	0.9
91.03952	1.1
91.05486	27.4
93.07047	43.3
95.04952	3.9
95.08615	31.3
97.02892	1.6
97.06530	5.4
97.10165	2.8
99.08094	2.2
105.04524	0.8
105.07034	10.2
107.04949	1.3
107.07865	1.4
107.08590	20.5
109.06509	1.3
109.10161	68.6
110.10492	0.8
111.08056	3.5
117.07029	5.2
119.08585	19.8
121.10143	15.5
123.08098	1.4
123.11684	3.5
125.09621	1.8
129.07033	1.2
131.08585	7.5
133.10136	9.4
135.08075	1.0
135.11694	17.7
137.09612	9.2
137.13313	1.2
139.11078	1.2
143.08598	0.8
145.10109	7.2
147.11676	4.7
149.09547	0.8
149.13264	3.2
151.11226	1.0
153.12674	1.2
155.10629	4.7
159.11681	4.7
161.13231	2.1
163.11140	4.0
165.12791	1.1
167.65269	0.9
169.10107	1.3
169.12262	1.2
171.11719	1.6
173.11714	7.9
173.13290	3.3
175.14902	0.9
181.12224	2.9
187.13283	1.1
187.14832	1.7
201.16399	0.8
213.14819	2.4
243.15849	2.4
255.15910	6.3
259.20590	1.1
261.22079	3.0
266.04019	0.8
285.21832	0.9
287.18542	23.6
287.21704	1.3
317.24686	1.2
335.25827	26.8
337.27283	1.0
361.27759	0.9
471.34918	4.3
489.35776	100.0
490.35941	2.9
497.35980	1.2
503.37271	2.7
515.37311	17.4
547.39960	85.0
548.40002	2.2
587.32056	0.9
618.25513	0.9
709.48248	1.6
732.61145	0.9
744.45270	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01872	3.5
55.05264	1.8
55.05515	17.4
57.03442	16.1
57.07060	1.7
59.05009	1.5
59.06108	1.6
60.05648	4.8
60.76363	1.2
61.02927	2.1
65.03947	3.4
67.05508	54.4
68.05853	1.9
69.03433	5.4
69.07078	15.9
71.05008	4.2
71.55194	2.3
73.02888	1.3
79.05501	55.1
81.03435	8.5
81.07065	50.7
83.04979	12.2
83.08624	10.0
83.13227	1.2
85.02921	7.3
85.06571	2.5
87.04472	4.9
91.03905	1.3
91.04965	2.4
91.05487	27.2
92.05795	1.5
93.07050	57.5
94.07388	2.3
95.04968	6.6
95.08608	42.6
97.02879	2.7
97.06528	5.3
97.10175	4.5
97.82876	1.3
99.08084	1.5
101.06004	4.0
105.07034	17.7
105.91151	1.6
107.04956	3.1
107.08603	30.5
109.06487	1.9
109.10165	17.1
111.08098	2.1
115.03951	1.5
117.07015	5.0
119.08595	16.5
121.10152	73.2
123.08047	7.4
123.11702	7.6
125.09679	2.7
129.07013	2.9
131.04913	1.5
131.08578	32.5
133.06470	4.0
133.10109	7.9
135.08029	2.4
135.11705	10.0
137.13248	2.0
139.11179	5.6
145.10139	5.1
147.11691	6.0
149.09636	27.6
149.13257	7.0
151.11159	1.7
157.10118	1.8
159.08067	3.2
159.11728	3.5
161.13257	4.2
163.11159	2.6
163.14818	2.2
167.10692	23.5
171.11758	1.7
173.13307	3.1
175.11189	1.5
177.09195	2.9
177.16464	1.9
184.07324	4.3
185.11746	6.0
193.12250	2.2
194.12599	1.4
195.08527	1.4
195.10188	5.9
211.13287	1.2
212.13416	1.4
213.11258	2.6
239.93608	1.4
241.14359	3.0
243.15897	2.1
243.21089	7.4
251.12877	2.2
261.22131	19.7
262.22531	1.3
267.15887	4.6
269.13806	3.5
285.16910	3.2
286.17285	2.1
287.14911	100.0
317.24927	2.4
335.25827	98.7
336.26105	3.8
337.27246	2.2
353.27509	1.6
489.35388	2.3
503.37253	4.2
529.38562	3.2
546.38898	1.7
547.36115	27.7
565.37378	4.6
745.42249	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01872	3.5
55.05264	1.8
55.05515	17.4
57.03442	16.1
57.07060	1.7
59.05009	1.5
59.06108	1.6
60.05648	4.8
60.76363	1.2
61.02927	2.1
65.03947	3.4
67.05508	54.4
68.05853	1.9
69.03433	5.4
69.07078	15.9
71.05008	4.2
71.55194	2.3
73.02888	1.3
79.05501	55.1
81.03435	8.5
81.07065	50.7
83.04979	12.2
83.08624	10.0
83.13227	1.2
85.02921	7.3
85.06571	2.5
87.04472	4.9
91.03905	1.3
91.04965	2.4
91.05487	27.2
92.05795	1.5
93.07050	57.5
94.07388	2.3
95.04968	6.6
95.08608	42.6
97.02879	2.7
97.06528	5.3
97.10175	4.5
97.82876	1.3
99.08084	1.5
101.06004	4.0
105.07034	17.7
105.91151	1.6
107.04956	3.1
107.08603	30.5
109.06487	1.9
109.10165	17.1
111.08098	2.1
115.03951	1.5
117.07015	5.0
119.08595	16.5
121.10152	73.2
123.08047	7.4
123.11702	7.6
125.09679	2.7
129.07013	2.9
131.04913	1.5
131.08578	32.5
133.06470	4.0
133.10109	7.9
135.08029	2.4
135.11705	10.0
137.13248	2.0
139.11179	5.6
145.10139	5.1
147.11691	6.0
149.09636	27.6
149.13257	7.0
151.11159	1.7
157.10118	1.8
159.08067	3.2
159.11728	3.5
161.13257	4.2
163.11159	2.6
163.14818	2.2
167.10692	23.5
171.11758	1.7
173.13307	3.1
175.11189	1.5
177.09195	2.9
177.16464	1.9
184.07324	4.3
185.11746	6.0
193.12250	2.2
194.12599	1.4
195.08527	1.4
195.10188	5.9
211.13287	1.2
212.13416	1.4
213.11258	2.6
239.93608	1.4
241.14359	3.0
243.15897	2.1
243.21089	7.4
251.12877	2.2
261.22131	19.7
262.22531	1.3
267.15887	4.6
269.13806	3.5
285.16910	3.2
286.17285	2.1
287.14911	100.0
317.24927	2.4
335.25827	98.7
336.26105	3.8
337.27246	2.2
353.27509	1.6
489.35388	2.3
503.37253	4.2
529.38562	3.2
546.38898	1.7
547.36115	27.7
565.37378	4.6
745.42249	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01886	15.1
55.05268	3.9
55.05516	53.6
65.07314	3.2
65.77930	2.8
66.71189	2.7
67.05513	3.3
69.03428	5.6
69.07061	5.2
70.33517	2.7
79.05506	7.4
81.03422	8.2
81.07068	6.1
83.04989	100.0
91.05483	18.2
92.26492	3.6
93.07024	8.4
95.04970	6.9
95.08569	3.3
103.84682	2.9
104.17493	2.9
105.07024	14.0
107.04939	5.4
107.07522	2.9
107.08624	7.1
115.05460	11.5
117.07012	12.9
119.08611	16.6
128.06265	4.2
129.06996	16.0
131.04970	3.7
131.08588	13.8
133.10132	12.0
135.08067	6.1
135.11678	2.7
141.06955	3.2
142.07730	6.2
143.08572	16.5
145.06499	13.5
145.10147	12.3
147.08057	55.9
147.11661	3.6
149.09705	3.4
155.08588	5.9
156.09355	7.7
157.10149	25.9
159.08070	33.9
161.09641	38.8
163.07544	5.7
163.29292	3.4
165.06900	3.3
167.08430	3.9
169.10164	11.0
170.10834	3.9
171.08107	10.8
171.11690	39.4
173.06068	4.4
173.09644	21.3
175.07610	15.5
179.08521	3.5
179.43689	3.0
181.10068	5.9
183.08138	5.1
183.11688	17.0
184.07336	3.4
185.09666	17.3
185.13272	41.2
186.26711	3.1
187.07541	4.8
187.11118	3.3
189.09128	6.6
195.11687	5.6
197.09698	7.6
197.13278	4.7
199.11218	17.5
207.11729	6.9
209.09651	6.0
211.11188	7.3
213.09065	3.5
213.12741	35.8
215.10657	4.8
219.11800	4.1
221.09663	3.8
223.11212	4.3
229.12244	8.5
233.13397	4.8
241.12292	3.9
243.13870	6.9
245.15411	38.7
247.15002	5.0
255.13818	6.8
259.13312	6.9
268.12512	4.2
270.13403	3.5
271.11053	4.0
273.12573	4.1
273.14978	28.8
283.11011	3.7
285.12817	4.9
287.14386	5.3
297.12665	7.7
299.14325	6.2
299.17648	3.9
301.15881	7.8
311.14117	4.4
312.15109	6.0
313.15900	4.0
315.13803	4.1
315.17538	4.9
327.14047	4.3
327.17380	16.0
329.15396	7.4
329.19006	5.9
341.18939	14.5
345.18524	9.7
357.18591	9.2
359.20013	5.1
361.17709	7.2
369.18552	10.5
387.19626	19.4
389.21033	11.9
391.22635	10.7
401.21017	26.5
419.22168	58.2
437.23315	4.3
447.21399	6.9
449.29227	6.6
461.22647	4.2
479.24313	34.5
529.35181	3.8
539.26514	29.8
607.28815	9.5
621.30676	17.0
639.31946	20.4
684.27594	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	744.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.6
55.01859	3.0
55.05515	11.2
56.05025	1.5
67.05499	1.4
69.03425	2.6
69.07072	1.1
69.18105	11.0
70.06587	3.6
72.04510	1.5
74.06091	5.4
74.09715	2.9
79.05497	4.6
81.07054	3.4
82.02938	9.0
82.06575	1.5
83.01393	1.0
83.04989	15.5
91.05475	7.5
91.95855	0.9
92.83170	0.9
93.07056	5.3
95.04975	5.5
95.08612	2.1
97.06528	1.5
98.06061	11.6
100.07632	1.4
103.05475	52.5
105.03416	8.7
105.07040	8.7
106.03722	2.2
107.04947	1.1
107.08585	4.3
109.06512	1.2
109.10159	1.4
110.06041	1.7
115.05465	4.3
117.07025	6.6
119.08590	10.5
121.06488	1.3
121.10128	1.8
122.06040	1.0
126.05530	80.2
128.06232	2.0
128.07085	2.5
129.07016	4.8
131.04941	100.0
131.08563	8.8
132.05313	1.6
133.06488	2.5
133.10132	10.8
135.08035	2.6
141.06972	1.7
142.07770	3.2
143.08591	8.1
145.06485	3.6
145.10155	5.0
147.08028	2.8
147.11758	1.2
149.05994	1.1
149.09613	3.8
152.07126	1.2
153.06964	1.7
155.08582	2.9
156.09319	6.7
157.10143	11.1
158.09628	1.4
159.08069	5.1
159.11678	5.8
160.11198	1.1
161.05992	2.6
161.09633	7.6
165.07043	2.0
167.08563	2.4
168.09300	2.2
169.10156	7.9
170.10852	6.0
171.08066	3.1
171.11710	21.8
173.09633	4.4
173.13254	3.1
175.07591	1.9
175.11227	1.7
176.10670	1.7
178.12239	3.1
181.08696	1.2
181.10118	3.1
183.08063	3.0
183.11711	36.1
185.09618	3.0
185.13271	20.1
186.09085	2.2
187.09714	1.1
187.11235	5.0
188.10706	12.5
189.09209	1.6
193.10118	3.1
194.11710	1.1
195.11674	4.2
197.09619	4.0
197.13252	3.0
198.10294	2.1
199.11256	8.1
201.12738	2.7
202.12292	2.0
204.10228	7.8
205.10263	1.2
205.12242	1.1
206.11800	46.1
207.11789	2.3
208.08884	1.0
208.12259	1.3
209.09732	1.1
209.13327	1.7
211.11200	4.5
213.09343	1.1
213.12753	18.7
215.08635	1.1
215.10611	1.9
215.14365	1.5
217.10271	1.5
217.12273	1.4
218.11795	4.9
219.11688	3.9
220.13237	3.8
221.13289	3.5
222.11189	4.3
223.11195	2.5
226.09450	1.2
227.10561	1.4
229.10110	1.9
229.12244	1.6
230.11160	1.4
231.11719	2.4
231.13820	2.7
232.09729	6.2
232.12888	1.8
233.13235	4.0
233.15289	1.2
234.11279	4.3
234.13434	1.0
235.11282	1.3
235.14925	2.3
241.12231	3.7
243.13823	2.4
244.13196	5.6
245.13245	3.9
245.15398	7.6
246.14058	2.0
247.11002	1.7
247.14915	5.0
249.12703	1.7
249.16476	2.7
251.14192	1.0
255.13791	1.6
256.13107	2.0
257.13202	1.4
258.14780	2.0
259.15057	6.0
260.15591	2.9
261.12738	1.7
261.16418	3.2
268.12988	1.0
269.13156	1.2
273.14636	10.1
274.14163	1.1
274.17221	1.3
275.14166	1.4
277.15854	2.7
282.14645	1.1
286.14218	2.5
287.14374	2.0
291.15601	2.2
301.15869	2.6
318.17197	2.8
319.17001	2.3
327.17429	1.3
333.18332	1.6
336.15891	4.4
369.20367	1.8
374.21262	4.7
376.22845	1.8
378.16974	1.1
386.21268	5.1
388.22852	2.5
390.24408	1.2
391.21179	1.3
400.22638	4.4
404.22086	2.7
416.22250	7.2
418.23807	9.2
428.22275	10.0
436.24707	2.2
446.23376	16.5
448.25009	7.1
450.26245	1.6
460.24887	7.5
464.24240	7.5
466.26077	2.5
478.26016	12.1
482.25592	1.3
496.26855	6.5
530.27972	1.4
546.28131	2.8
560.29865	2.3
564.29565	6.0
576.27252	1.7
578.30658	3.5
587.35162	1.0
590.29358	1.3
594.28485	1.5
596.32007	2.9
608.29968	1.9
626.31085	1.8
644.32605	1.5
676.32446	1.1
694.33105	2.1
712.23260	1.6
712.34930	17.0
713.34528	1.2
726.37177	4.7
744.37592	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	744.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	5.2
55.01880	4.9
55.05503	21.3
65.03921	4.4
67.05497	9.8
69.03407	10.2
69.07062	4.6
70.06570	14.5
71.55217	3.5
75.72779	3.4
79.05473	13.1
80.32679	3.4
81.03452	4.5
81.07041	13.4
82.02921	3.3
83.04976	19.8
85.02887	4.7
86.06062	13.8
87.04465	8.6
91.05496	20.3
93.07043	15.2
95.04961	10.7
95.08595	15.9
98.06061	50.6
103.05464	47.7
105.03378	7.2
105.07028	27.5
107.04937	3.9
107.08591	9.7
109.10210	3.9
115.05445	3.8
117.07050	7.8
119.04912	4.4
119.08587	38.4
119.09374	6.0
121.06499	8.6
121.10190	6.3
123.07970	5.4
124.07561	6.6
128.06183	7.4
129.06984	12.3
131.04933	94.3
131.08577	26.9
132.05266	3.5
133.06512	37.6
133.10144	18.4
135.08043	9.2
137.09666	4.6
141.06984	7.9
142.07762	5.3
143.08595	20.7
145.06450	10.4
145.10091	15.2
147.08054	29.8
149.05956	5.7
149.09595	7.5
150.05533	4.5
150.09077	4.5
153.06938	7.5
155.08548	29.1
156.09340	10.4
157.06404	4.1
157.10139	30.9
159.04410	5.8
159.08052	13.2
159.11739	8.0
161.05974	23.7
161.09601	14.4
163.07500	9.6
163.11179	7.3
165.06975	13.4
165.09076	4.1
166.07779	6.2
167.08540	13.7
168.06549	3.4
168.09380	4.4
169.06441	8.6
169.10097	21.8
171.08067	15.2
171.11670	31.6
173.09608	13.4
175.07565	6.1
175.11156	4.8
177.05527	4.4
177.09065	5.0
179.08571	8.0
180.09268	7.1
181.10124	15.3
182.10880	13.5
183.08041	25.1
183.11708	35.8
184.08936	5.9
185.09596	11.3
185.13271	24.4
188.10768	7.5
189.09122	4.4
192.09305	7.3
193.10066	8.4
194.10934	4.5
195.08052	6.6
195.11676	35.4
196.08824	9.9
197.09689	21.3
197.11272	3.5
197.11591	3.7
197.13293	37.3
198.10402	3.4
199.11194	17.0
199.14812	3.6
200.12090	3.5
201.09132	9.3
201.12782	4.9
205.10124	3.5
206.08095	8.8
206.11008	3.9
207.11671	21.1
208.12611	4.1
209.09631	8.3
209.13252	13.2
210.10370	12.4
211.11205	14.0
213.12761	33.6
215.10635	5.3
215.14192	4.9
216.10185	10.0
217.10301	5.6
218.11679	12.3
219.11667	8.5
221.09619	4.1
221.13231	9.5
223.11176	11.9
223.14853	4.9
224.09180	9.4
225.09239	6.9
225.12744	100.0
227.10768	4.4
227.14313	5.4
227.37347	4.3
229.10197	5.1
231.11728	9.6
233.13303	9.2
235.11250	8.2
235.14766	11.3
237.12923	3.7
239.10785	3.3
243.11710	6.2
243.13814	29.7
244.09720	13.5
244.12389	4.7
245.13271	10.0
245.15483	7.4
246.11339	19.2
247.14835	10.8
248.15302	4.5
249.16441	7.0
251.14481	4.9
257.13324	7.8
259.14886	7.0
260.11880	3.9
261.12729	7.5
261.16397	8.4
262.10684	23.2
262.13300	5.1
263.14206	6.7
263.17932	5.0
264.12265	28.7
267.13846	4.3
267.17474	4.5
273.12427	4.4
273.15097	3.2
273.16510	4.8
273.89847	4.3
274.13925	4.0
274.16968	3.7
275.14316	5.6
277.15805	10.5
279.13916	3.9
285.14737	20.5
287.14154	4.4
289.15649	8.0
291.17441	6.0
295.16852	5.6
301.15714	5.1
303.16019	5.6
309.18619	6.6
311.17715	5.1
313.15839	7.8
317.15427	5.5
319.16827	9.4
325.15656	4.5
331.16943	5.6
337.17990	9.6
339.17493	8.1
345.16968	10.4
349.17807	3.6
353.20999	4.3
357.18481	8.2
369.20642	13.1
373.17743	4.4
375.19531	4.7
377.17432	7.4
378.18143	4.6
391.18994	7.3
394.21460	4.4
395.18436	7.1
401.17352	4.0
409.19806	8.2
411.21811	18.9
412.22763	6.0
419.18445	6.3
420.59256	4.2
423.21786	4.9
424.22659	7.7
429.22592	15.2
437.19781	7.2
440.21976	5.5
442.23657	10.3
451.21017	12.5
452.22064	10.2
455.20554	4.1
458.23193	17.8
460.25159	4.8
469.22467	31.3
470.23294	32.1
487.23279	6.7
488.24402	38.3
501.24814	9.6
506.25275	16.3
511.23431	7.9
529.24188	19.1
543.25757	4.5
548.26447	19.3
561.26843	24.8
566.27509	10.4
577.28149	5.1
608.28723	28.7
617.27075	7.8
626.19421	4.6
626.29456	54.2
627.29315	4.5
644.29987	12.3
726.34320	13.9
744.33575	11.5
745.38977	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	744.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	5.2
55.01880	4.9
55.05503	21.3
65.03921	4.4
67.05497	9.8
69.03407	10.2
69.07062	4.6
70.06570	14.5
71.55217	3.5
75.72779	3.4
79.05473	13.1
80.32679	3.4
81.03452	4.5
81.07041	13.4
82.02921	3.3
83.04976	19.8
85.02887	4.7
86.06062	13.8
87.04465	8.6
91.05496	20.3
93.07043	15.2
95.04961	10.7
95.08595	15.9
98.06061	50.6
103.05464	47.7
105.03378	7.2
105.07028	27.5
107.04937	3.9
107.08591	9.7
109.10210	3.9
115.05445	3.8
117.07050	7.8
119.04912	4.4
119.08587	38.4
119.09374	6.0
121.06499	8.6
121.10190	6.3
123.07970	5.4
124.07561	6.6
128.06183	7.4
129.06984	12.3
131.04933	94.3
131.08577	26.9
132.05266	3.5
133.06512	37.6
133.10144	18.4
135.08043	9.2
137.09666	4.6
141.06984	7.9
142.07762	5.3
143.08595	20.7
145.06450	10.4
145.10091	15.2
147.08054	29.8
149.05956	5.7
149.09595	7.5
150.05533	4.5
150.09077	4.5
153.06938	7.5
155.08548	29.1
156.09340	10.4
157.06404	4.1
157.10139	30.9
159.04410	5.8
159.08052	13.2
159.11739	8.0
161.05974	23.7
161.09601	14.4
163.07500	9.6
163.11179	7.3
165.06975	13.4
165.09076	4.1
166.07779	6.2
167.08540	13.7
168.06549	3.4
168.09380	4.4
169.06441	8.6
169.10097	21.8
171.08067	15.2
171.11670	31.6
173.09608	13.4
175.07565	6.1
175.11156	4.8
177.05527	4.4
177.09065	5.0
179.08571	8.0
180.09268	7.1
181.10124	15.3
182.10880	13.5
183.08041	25.1
183.11708	35.8
184.08936	5.9
185.09596	11.3
185.13271	24.4
188.10768	7.5
189.09122	4.4
192.09305	7.3
193.10066	8.4
194.10934	4.5
195.08052	6.6
195.11676	35.4
196.08824	9.9
197.09689	21.3
197.11272	3.5
197.11591	3.7
197.13293	37.3
198.10402	3.4
199.11194	17.0
199.14812	3.6
200.12090	3.5
201.09132	9.3
201.12782	4.9
205.10124	3.5
206.08095	8.8
206.11008	3.9
207.11671	21.1
208.12611	4.1
209.09631	8.3
209.13252	13.2
210.10370	12.4
211.11205	14.0
213.12761	33.6
215.10635	5.3
215.14192	4.9
216.10185	10.0
217.10301	5.6
218.11679	12.3
219.11667	8.5
221.09619	4.1
221.13231	9.5
223.11176	11.9
223.14853	4.9
224.09180	9.4
225.09239	6.9
225.12744	100.0
227.10768	4.4
227.14313	5.4
227.37347	4.3
229.10197	5.1
231.11728	9.6
233.13303	9.2
235.11250	8.2
235.14766	11.3
237.12923	3.7
239.10785	3.3
243.11710	6.2
243.13814	29.7
244.09720	13.5
244.12389	4.7
245.13271	10.0
245.15483	7.4
246.11339	19.2
247.14835	10.8
248.15302	4.5
249.16441	7.0
251.14481	4.9
257.13324	7.8
259.14886	7.0
260.11880	3.9
261.12729	7.5
261.16397	8.4
262.10684	23.2
262.13300	5.1
263.14206	6.7
263.17932	5.0
264.12265	28.7
267.13846	4.3
267.17474	4.5
273.12427	4.4
273.15097	3.2
273.16510	4.8
273.89847	4.3
274.13925	4.0
274.16968	3.7
275.14316	5.6
277.15805	10.5
279.13916	3.9
285.14737	20.5
287.14154	4.4
289.15649	8.0
291.17441	6.0
295.16852	5.6
301.15714	5.1
303.16019	5.6
309.18619	6.6
311.17715	5.1
313.15839	7.8
317.15427	5.5
319.16827	9.4
325.15656	4.5
331.16943	5.6
337.17990	9.6
339.17493	8.1
345.16968	10.4
349.17807	3.6
353.20999	4.3
357.18481	8.2
369.20642	13.1
373.17743	4.4
375.19531	4.7
377.17432	7.4
378.18143	4.6
391.18994	7.3
394.21460	4.4
395.18436	7.1
401.17352	4.0
409.19806	8.2
411.21811	18.9
412.22763	6.0
419.18445	6.3
420.59256	4.2
423.21786	4.9
424.22659	7.7
429.22592	15.2
437.19781	7.2
440.21976	5.5
442.23657	10.3
451.21017	12.5
452.22064	10.2
455.20554	4.1
458.23193	17.8
460.25159	4.8
469.22467	31.3
470.23294	32.1
487.23279	6.7
488.24402	38.3
501.24814	9.6
506.25275	16.3
511.23431	7.9
529.24188	19.1
543.25757	4.5
548.26447	19.3
561.26843	24.8
566.27509	10.4
577.28149	5.1
608.28723	28.7
617.27075	7.8
626.19421	4.6
626.29456	54.2
627.29315	4.5
644.29987	12.3
726.34320	13.9
744.33575	11.5
745.38977	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	743.343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74685	1.3
53.03939	5.2
55.01878	12.9
55.05513	33.2
56.17017	1.2
57.03445	8.4
58.38659	1.2
61.02916	1.7
65.03925	2.8
67.05173	2.3
67.05509	33.2
68.05829	2.1
68.07688	1.3
69.03436	4.0
69.07083	10.1
69.33517	1.2
69.49703	5.7
69.50115	3.1
69.61401	1.1
69.99734	1.4
71.04993	2.1
72.19757	1.4
73.06538	1.5
77.03912	1.7
79.05498	30.2
80.05847	1.8
81.02988	2.0
81.03426	29.5
81.07063	32.9
82.03770	2.8
82.07401	3.8
83.04985	43.1
83.08624	10.9
85.02910	9.3
85.06535	2.4
91.05488	46.0
92.05821	3.1
93.07056	26.3
94.07382	3.7
95.04977	24.1
95.08061	1.8
95.08620	23.2
96.08947	1.6
97.02898	2.4
97.06548	4.6
97.10181	2.7
98.20782	2.5
101.30065	1.4
103.05481	54.5
105.04510	1.6
105.06387	2.6
105.07043	28.3
106.07384	2.5
107.04980	8.5
107.08598	14.6
108.08931	1.9
109.06528	4.9
109.10169	8.8
110.10529	1.5
111.04456	1.5
111.08112	3.2
115.05464	10.5
116.06254	1.9
117.07030	20.4
119.04957	1.4
119.08589	43.6
120.04623	1.3
120.08937	2.2
121.06511	5.3
121.10168	10.9
123.08037	2.6
123.11745	2.5
128.06271	5.5
129.07027	20.7
130.07803	3.2
131.04942	100.0
131.08582	23.3
133.06483	4.5
133.10153	14.5
134.10448	3.6
135.08035	7.6
135.11694	5.0
137.09659	2.5
141.07039	1.9
142.07808	7.0
143.08565	14.5
144.05656	1.4
144.09369	1.6
145.06512	22.1
145.10147	18.3
147.04408	3.0
147.08057	58.6
147.11708	8.8
148.12001	3.2
149.09618	8.4
149.13266	2.1
153.06992	2.3
154.07709	1.4
155.08546	7.6
156.09290	4.4
157.10158	24.8
158.07248	3.9
158.10469	1.9
159.08075	28.5
159.11705	26.0
161.09612	15.7
161.16400	1.2
162.38165	1.2
163.07568	51.9
163.11235	1.5
164.08107	1.4
165.07024	2.6
165.12827	2.4
166.07724	1.6
167.08617	2.1
168.09389	3.8
169.10136	19.5
170.10992	6.1
171.08015	4.2
171.11710	15.8
172.08836	2.8
173.06020	3.0
173.09644	29.6
173.11034	2.7
173.13200	7.2
175.07550	6.5
175.11197	8.6
176.11514	1.5
177.09074	2.6
179.08531	1.7
181.08670	1.4
181.10173	4.3
183.08049	2.8
183.11719	41.4
185.09662	10.0
185.13260	28.6
186.10342	1.9
187.07564	1.9
187.11154	10.8
189.09120	2.4
191.10686	1.7
192.09438	2.3
193.10190	3.5
193.12260	15.2
194.12764	3.2
195.08211	1.8
195.11670	4.7
196.08862	1.3
197.09621	7.3
197.13268	2.5
199.11194	7.9
201.09119	10.3
201.12743	14.7
203.10645	2.4
203.40160	1.3
206.10974	2.5
207.11751	7.2
209.09631	4.0
209.13353	1.9
211.11217	10.2
211.13312	20.1
211.14989	2.2
212.13687	5.4
213.12753	6.8
215.08711	1.6
215.10715	5.1
216.09262	1.8
217.10281	2.6
217.12286	3.6
219.11700	2.8
220.12373	1.6
221.13231	6.9
223.11229	4.5
225.12773	2.5
227.10670	2.7
229.12233	14.4
231.11749	2.3
231.13797	1.9
233.09628	3.2
233.11624	2.2
233.15367	4.5
235.11136	2.6
235.14816	2.1
237.12759	5.5
239.10762	2.3
239.14290	1.3
241.10074	1.4
241.12241	1.9
242.10962	1.6
243.11662	3.4
243.13882	8.3
243.21188	1.6
244.78185	1.4
245.09715	1.6
245.13376	1.4
245.15520	3.2
246.10564	2.1
247.14999	2.3
249.12767	3.9
251.14366	1.5
253.12404	2.2
255.13869	2.1
256.12524	1.8
257.13467	3.6
258.10223	1.3
259.11148	2.5
259.13321	9.7
261.12613	1.8
261.14691	8.3
261.22229	4.8
262.13422	1.6
262.22668	1.5
267.11600	2.3
267.15915	7.9
268.16306	3.0
271.10904	1.6
271.13406	1.5
271.15076	2.5
272.15472	3.1
273.12775	4.0
275.14349	4.9
279.13922	2.0
282.14240	2.1
283.10999	1.9
285.12781	5.1
285.17032	22.1
286.14081	2.1
286.17310	10.1
287.14490	2.0
287.17908	2.5
297.12769	2.0
297.16394	2.8
298.13678	1.3
299.14352	5.7
299.63300	1.5
300.15152	6.2
301.15869	3.5
309.12582	1.8
313.15921	2.8
315.13971	1.8
315.17404	18.9
317.15430	1.8
325.15802	2.8
329.19025	12.1
333.18643	2.5
335.25842	24.9
336.26178	15.4
339.17368	3.7
341.14990	1.8
343.16913	4.8
347.20157	2.5
357.18488	18.4
359.16525	2.2
361.18002	2.3
370.02307	1.5
375.19629	9.5
385.17923	7.8
389.21176	20.8
399.19644	1.7
403.19067	6.4
407.22119	8.8
417.20694	17.8
435.21713	18.0
527.37390	3.7
528.37494	3.9
535.26489	3.0
545.38428	21.1
546.38708	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	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01873	1.5
55.05268	0.9
55.05512	12.8
55.64680	0.6
57.03445	8.3
57.07084	1.2
61.02920	1.9
65.03931	1.2
67.05508	27.8
69.03441	3.7
69.07074	8.5
69.32519	4.8
71.04979	1.7
73.02907	1.0
73.93578	0.6
79.05496	24.6
81.03422	29.8
81.07060	30.1
83.04983	7.3
83.08152	0.7
83.08627	13.6
85.02424	1.1
85.02910	14.5
85.06533	1.7
91.03967	1.1
91.05483	17.8
92.74128	0.7
93.07050	21.2
95.04969	12.4
95.08612	21.4
97.02895	2.3
97.06532	2.4
97.10163	2.7
99.08140	0.7
101.54500	0.7
105.04514	0.8
105.07030	13.1
107.04944	2.9
107.08603	12.9
109.06519	2.3
109.10171	7.9
111.04440	1.9
111.08079	5.2
113.06038	1.6
115.05488	0.7
117.07014	2.4
119.08583	10.5
119.09365	0.9
121.06567	0.8
121.10146	12.4
123.08035	2.0
123.11713	2.3
125.09680	1.4
129.07001	5.6
131.08585	6.8
133.06499	1.9
133.10133	7.8
135.11723	4.8
137.09633	1.2
137.13206	0.7
142.07817	1.3
145.10133	2.8
147.08069	1.3
147.11694	9.6
149.09651	3.1
149.13269	2.5
157.10170	6.8
159.11687	2.0
161.13298	1.9
163.11136	0.9
165.12794	1.7
169.60950	0.6
173.13249	1.3
173.96330	0.6
175.11182	6.5
183.11566	0.9
187.14806	1.3
193.12244	21.1
201.16493	0.7
211.13312	29.3
227.12668	1.1
243.21260	1.2
249.14914	0.8
261.22205	4.8
267.15961	6.1
285.16968	32.5
317.24869	1.7
335.25827	57.8
336.26288	1.8
421.40741	0.8
429.21402	0.7
435.32739	0.7
453.33646	1.1
527.37396	9.3
545.38379	100.0
546.38715	2.7
738.02209	0.7
753.44391	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.9
53.09666	0.6
55.01864	2.2
55.05264	1.4
55.05513	16.1
56.94884	0.7
57.03438	9.1
57.07071	1.4
61.02914	2.3
65.03932	1.8
67.05506	32.3
69.03422	3.2
69.07069	8.5
71.04988	3.1
71.05789	1.5
79.05495	26.0
81.03420	36.8
81.06577	1.7
81.07060	33.9
83.04986	7.9
83.08624	15.4
85.02910	13.8
85.06548	1.5
91.05484	25.1
93.07048	24.4
94.32433	0.6
95.04973	16.1
95.08610	20.4
97.02896	2.7
97.06543	2.7
97.10159	4.2
99.08087	1.0
105.07027	16.4
105.07683	1.4
107.04967	2.8
107.08594	13.3
109.06517	3.0
109.10165	8.1
111.04443	2.0
111.08091	5.9
113.06028	1.0
117.07012	3.7
119.08585	13.5
119.09360	1.1
121.06534	0.8
121.10143	13.9
123.08060	0.9
123.11707	3.2
125.09647	1.2
129.07016	6.0
131.08572	8.8
133.06541	1.5
133.10139	7.2
135.11694	6.3
137.09624	1.2
137.13194	0.7
142.07826	1.2
145.10104	3.8
147.04407	4.0
147.08070	1.8
147.10620	1.2
147.11687	10.5
148.04767	0.8
149.09621	4.0
149.13272	2.6
157.10115	8.2
159.11703	1.4
161.13304	2.5
163.11218	1.2
165.12764	1.7
169.10167	0.7
173.13303	2.1
174.12068	0.8
175.11177	8.4
193.12248	25.9
194.12566	0.8
211.13295	41.5
212.61887	0.7
227.12802	1.4
243.21176	1.9
261.22128	5.2
267.15869	9.7
275.20059	1.8
283.15305	1.5
285.16971	39.3
317.24753	1.7
335.25818	45.8
336.26306	1.2
377.46600	0.8
453.33694	1.0
471.34766	1.2
494.99918	0.8
527.37372	8.9
545.38397	100.0
546.38568	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	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01863	3.7
55.05264	2.4
55.05513	27.3
57.03440	21.4
59.78043	1.2
60.77331	1.4
61.02924	5.8
65.03943	3.2
67.05505	66.9
69.03440	6.7
69.07077	15.6
69.78508	2.8
69.78918	5.8
71.04977	5.0
77.03883	1.5
79.05495	48.4
81.03422	62.3
81.07061	66.4
83.04990	18.2
83.08144	2.2
83.08620	28.7
85.02906	30.6
85.06546	4.9
89.12225	1.5
91.03925	1.9
91.05486	47.8
93.07048	51.8
95.04975	28.5
95.08611	41.6
97.02881	4.3
97.06519	5.6
97.10184	5.0
99.08101	2.3
103.05471	2.1
105.04570	2.0
105.07039	34.1
107.04957	5.7
107.08589	23.5
107.09293	1.9
109.06509	6.5
109.10166	14.2
111.04415	2.4
111.08073	12.2
113.05984	2.4
117.07023	5.5
119.08580	28.3
121.10153	21.9
123.08064	4.3
123.11710	4.6
125.09615	2.9
127.03909	1.3
129.07004	11.0
131.05042	1.4
131.08577	21.4
133.06522	2.7
133.10136	17.4
135.11694	8.0
137.09602	2.5
142.07787	3.0
145.10129	8.2
147.08057	3.3
147.11687	21.3
149.09598	6.1
149.13281	5.0
151.11147	1.5
157.10120	15.9
159.11710	5.1
161.13260	2.7
163.11241	2.3
163.14824	2.7
165.12808	4.7
173.13271	4.6
175.11186	16.4
175.14862	1.7
179.93401	1.4
185.13254	1.4
187.14900	1.9
193.10464	1.6
193.12254	44.9
211.13310	75.8
243.20992	2.9
261.22214	9.6
267.15939	16.8
285.16971	82.9
301.25012	1.6
317.24564	2.4
335.25818	82.2
435.32217	1.6
453.33664	2.7
527.37341	14.1
545.38379	100.0
546.38525	3.6
643.37018	1.5
763.33209	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01881	1.8
55.05262	1.2
55.05511	17.1
57.03440	12.2
57.07076	1.1
61.02925	3.7
64.79044	0.8
65.03938	1.9
66.68396	0.7
67.05506	45.9
69.03427	2.7
69.07070	12.3
69.41813	3.6
69.42220	1.7
71.04993	3.4
73.02901	1.8
79.05495	33.7
81.03420	36.6
81.07062	42.5
83.04985	10.3
83.08620	14.3
85.02908	17.0
85.06536	1.9
87.69101	0.7
91.03970	1.1
91.04900	1.0
91.05483	30.0
93.07044	36.7
95.04968	14.1
95.08606	32.8
95.09232	0.8
97.02892	3.4
97.06539	3.5
97.10178	2.8
99.04478	0.8
99.08064	1.4
105.04489	1.1
105.07040	20.1
107.04960	3.6
107.08600	15.1
109.06519	4.5
109.10146	9.9
111.04435	1.2
111.08081	6.7
113.06020	1.1
117.07048	4.0
119.08584	18.7
121.06471	1.0
121.10147	15.7
123.08065	2.4
123.11719	3.5
125.09625	2.0
129.06999	8.0
131.08569	15.0
133.06502	1.1
133.10132	13.0
135.11682	6.5
137.09610	1.9
142.07793	2.2
143.08540	1.1
145.10127	6.2
147.08063	1.4
147.11705	11.5
149.09596	4.4
149.13266	4.0
157.10144	9.9
159.11667	3.6
161.13263	2.1
163.11151	1.3
163.14832	1.5
165.12737	2.2
171.11780	1.0
173.13306	2.8
175.11195	8.5
175.14726	1.0
187.14819	1.1
187.63913	0.7
193.10414	1.1
193.12257	26.0
211.13301	39.9
227.12711	1.2
243.21126	2.6
261.22202	8.8
267.15921	12.0
285.16965	49.5
317.24838	1.1
335.25800	77.4
336.26230	1.3
435.32440	1.3
440.57245	0.8
453.33679	1.7
527.37231	13.6
545.38397	100.0
546.38885	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	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.2
55.01857	3.9
55.05517	18.2
57.03445	20.2
61.02911	7.2
65.03938	3.4
67.05509	87.7
69.03439	7.0
69.07072	26.3
77.52656	3.1
79.05499	58.2
81.03426	27.2
81.07064	96.0
83.04967	12.8
83.08640	20.2
85.02897	6.7
91.05488	47.6
93.07053	59.0
95.04984	19.9
95.08614	64.7
97.02881	3.8
97.06522	10.4
97.10170	6.9
99.08089	3.5
105.04487	4.2
105.07039	31.7
107.04934	6.3
107.08600	32.8
109.06507	10.8
109.10159	21.3
117.07021	8.7
119.08591	31.0
121.10143	33.5
123.08071	3.1
123.11700	7.5
125.09625	5.1
129.06984	10.3
131.08572	20.9
133.10136	29.8
135.07954	3.9
135.11699	22.9
137.13164	3.4
145.10129	10.0
147.04387	10.5
147.11662	22.4
149.09598	6.7
149.13306	6.9
155.08638	3.4
157.10103	11.9
159.11699	8.4
161.13260	3.5
163.11172	6.4
163.14822	5.0
165.12796	7.2
173.13231	5.0
175.11224	9.4
175.14844	3.6
193.12216	11.4
211.13309	7.5
216.68738	3.5
219.01457	3.4
227.12762	7.0
243.21014	5.5
261.22156	14.3
267.15884	27.9
283.15424	9.9
285.16989	80.1
317.24786	4.6
335.22052	6.3
335.25827	100.0
337.27411	9.4
471.34604	9.5
486.14163	3.7
503.37317	6.1
527.37189	19.0
545.38452	72.5
563.39685	3.8
742.44080	12.3
757.48553	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	742.422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	3.3
55.02065	1.4
55.05420	10.2
55.05717	2.7
57.03345	6.4
57.03659	1.5
57.07007	0.7
64.50669	0.6
65.03857	1.1
65.66473	0.6
67.05405	12.7
67.05808	2.2
69.03332	2.4
69.06969	4.5
70.50921	2.3
71.04892	3.3
79.05383	18.6
79.05894	2.4
81.03306	37.1
81.03838	4.8
81.06945	13.0
81.07456	1.4
82.46712	0.6
83.04868	3.3
83.08504	11.9
83.09048	1.6
85.02827	1.2
85.06450	0.9
91.05360	11.9
91.05969	1.0
93.06928	13.8
93.07547	1.2
95.04849	17.3
95.05495	1.3
95.08483	6.7
97.02815	1.4
97.06418	2.5
97.10049	13.0
105.06905	10.3
107.04828	13.1
107.08463	9.9
109.02837	0.7
109.06393	11.6
109.10021	4.9
111.04373	1.2
111.08076	3.9
115.05354	1.2
117.07006	4.3
119.04838	1.1
119.08583	8.9
121.06510	12.6
121.10152	8.1
123.04342	1.2
123.08079	4.2
125.05933	1.4
125.09646	11.4
129.07018	6.2
131.04808	1.5
131.08568	10.9
133.06497	3.0
133.10158	3.9
135.08055	5.6
135.11588	1.8
137.09499	1.1
139.11040	2.2
141.06880	0.9
142.07695	1.4
143.08420	2.9
145.06490	5.0
145.10162	4.2
147.04341	1.3
147.08066	4.3
147.11676	5.2
149.09656	5.3
150.08661	0.6
152.54117	0.6
153.08954	2.5
155.08414	1.8
157.06366	1.4
157.10126	6.1
159.07922	2.6
159.11600	1.5
161.05928	1.6
161.09474	2.1
163.11180	3.7
165.12646	1.0
167.08435	1.0
167.10626	1.1
169.09970	1.0
171.07915	1.5
171.10117	1.7
171.11591	2.2
173.09550	1.4
173.13101	2.4
175.11197	6.5
177.12654	0.9
183.11664	1.2
185.13152	1.3
187.11044	1.8
187.14732	0.8
189.11073	4.8
189.12685	1.6
191.10565	0.8
191.14322	3.7
193.12260	14.6
195.11568	1.8
197.09535	0.8
197.13164	1.5
199.11087	2.2
200.48486	0.7
201.12695	1.3
205.12148	1.1
209.13124	1.0
211.11186	1.1
211.13086	1.2
211.14966	0.8
213.12657	1.5
215.14211	1.3
217.12154	0.9
219.11810	0.7
219.13789	9.4
223.11046	0.6
223.13118	0.9
225.12715	1.6
227.12669	3.0
231.13719	1.1
233.15421	3.2
235.13191	1.2
237.12616	1.9
237.14815	1.3
249.14714	1.8
255.13699	2.5
257.15231	0.8
259.15436	5.8
267.15930	36.8
268.16068	1.2
273.14755	5.6
275.16241	0.9
287.16306	0.9
293.17487	5.2
311.23352	0.9
317.16205	0.7
339.23160	2.3
349.21600	3.8
357.24142	2.1
367.22678	13.1
385.23697	17.1
403.24792	7.5
433.25912	1.8
440.85623	0.6
441.26398	8.6
451.27106	3.8
459.27432	100.0
460.27563	4.1
477.28506	96.3
478.28760	5.7
483.94125	0.7
491.30298	7.8
495.29556	9.0
496.29587	1.1
501.28354	2.4
509.31314	4.6
531.29492	0.7
567.29761	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	742.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68703	1.8
53.03940	2.7
55.01855	3.0
55.05515	2.8
67.05505	1.8
67.20223	1.5
69.03429	2.5
69.85538	7.1
69.85940	3.4
70.06586	1.5
79.05508	5.6
81.07049	4.6
83.04994	4.0
91.05479	9.6
93.07021	4.0
95.04974	8.2
95.08602	2.1
96.66591	1.7
103.05473	51.6
104.05785	1.7
105.03399	3.6
105.07040	12.1
107.04922	2.4
107.08594	3.6
109.06529	5.9
115.05458	4.3
117.07011	9.2
119.04940	1.5
119.08575	14.1
121.02970	1.6
121.06488	2.4
129.07021	6.2
131.04942	100.0
131.08578	6.0
133.06505	5.1
133.10144	8.4
134.07251	2.4
135.08047	3.4
137.05988	3.5
142.07835	2.5
143.06708	1.8
143.08577	10.6
145.06479	3.3
145.10121	7.6
147.04440	2.3
147.08072	6.3
149.06012	2.2
149.09631	3.9
153.06953	1.8
155.08572	6.6
156.09317	4.3
157.10158	18.7
158.10902	3.7
159.08072	6.4
159.11720	12.4
161.05980	2.5
161.09625	3.8
162.06776	4.9
163.07547	3.8
165.07022	3.1
167.08592	2.3
168.09380	2.3
169.10120	12.8
170.10919	12.1
171.08113	4.5
171.11688	15.9
172.08858	2.3
173.06125	1.9
173.09669	9.2
173.13277	4.5
174.06767	4.6
175.07582	4.3
175.11203	2.1
176.08324	2.3
177.09100	3.3
179.07074	2.2
179.08495	3.1
181.10156	3.0
183.08145	2.5
183.11713	31.0
184.12433	3.1
185.09653	6.4
185.13220	6.8
186.10442	5.1
187.11182	6.8
188.08052	1.8
193.10136	3.8
194.10933	2.0
195.11676	4.9
196.08754	2.0
197.09615	4.5
197.13222	2.2
198.10231	2.9
199.11211	4.7
201.09012	2.4
201.12788	6.5
205.10222	3.6
205.12201	2.1
206.10881	3.4
207.11681	5.4
209.09668	2.9
209.13295	4.2
210.10503	2.2
211.11168	8.8
213.09090	4.6
213.12683	2.9
215.10657	3.7
217.10274	2.8
217.12257	2.4
219.11769	3.6
220.12386	3.5
221.13329	7.3
223.11217	3.8
223.14862	3.9
225.12755	1.9
227.14313	1.8
229.12219	2.6
230.10863	2.1
230.12941	3.2
231.11792	2.8
231.13864	2.0
232.14621	3.5
233.13321	3.5
233.15431	4.1
234.14070	2.4
235.14813	4.4
237.12767	4.1
239.14369	2.7
243.11690	4.3
243.13834	5.0
244.14601	2.7
245.13446	3.4
245.15536	1.7
247.11089	2.7
247.14793	2.2
251.14413	2.6
255.11780	2.9
257.13486	2.7
258.14032	2.9
259.14856	5.0
261.14975	4.6
263.14328	2.6
269.13144	2.6
270.14072	2.4
273.12552	1.9
273.16269	3.1
275.14645	1.7
275.17807	1.8
277.15936	2.0
285.12485	2.4
285.16537	2.2
286.13550	2.8
287.05447	3.8
287.14362	5.4
287.17621	3.6
288.05823	2.7
288.15262	2.4
289.11932	1.9
289.15314	1.4
290.12683	2.0
295.17047	2.2
299.14285	2.0
301.12198	1.7
301.15707	2.6
302.16611	2.3
303.13834	3.1
303.17380	2.1
313.15897	2.0
314.13010	2.4
315.13715	5.2
315.17355	3.2
329.15332	7.5
330.16174	6.5
331.16986	5.0
338.50131	1.7
344.17709	4.4
345.14752	2.0
345.18555	4.6
347.16446	3.0
348.17194	6.0
349.17966	2.9
357.14627	1.9
361.17981	4.0
362.18842	3.1
372.17224	8.9
373.17938	5.2
375.15982	2.4
389.17346	3.2
390.18170	11.4
391.19055	2.5
400.16632	1.7
403.19363	2.4
404.19919	9.6
405.20599	3.2
417.17145	1.7
421.19913	1.9
422.20865	8.2
423.21765	1.9
432.19449	4.0
433.20029	3.3
436.18750	2.4
440.21765	7.7
450.20349	10.4
451.20758	3.9
465.22620	3.4
468.21494	3.8
483.23685	2.3
504.02982	1.7
510.22128	2.3
557.44739	1.9
659.28198	3.4
691.30634	5.5
742.28918	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	742.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.01865	4.0
55.05266	5.2
55.05515	74.7
55.19570	3.1
57.03440	5.4
65.03936	3.4
67.05504	25.0
68.05007	6.6
69.03426	4.6
69.07048	8.8
69.22931	13.4
69.23354	17.8
70.06591	7.1
71.04996	3.8
72.04510	6.8
73.56175	3.2
79.05489	21.4
80.64884	3.1
81.03423	25.1
81.07061	17.9
83.04986	100.0
83.08618	6.0
85.02914	5.0
86.06057	7.1
86.28422	3.2
89.14091	2.9
91.05495	29.9
92.47314	2.9
93.07062	20.9
95.04970	16.3
95.08608	15.0
96.04490	49.3
97.06505	3.7
97.10167	3.6
99.22927	3.7
100.40546	3.8
103.05445	4.9
104.07092	7.8
105.07026	31.2
107.04961	8.9
107.08575	13.3
109.06507	5.2
109.10161	12.1
114.05533	11.5
115.05457	5.3
116.07050	3.6
117.07030	17.0
119.08579	31.1
121.06537	3.9
121.10152	8.6
122.06029	3.9
124.03974	39.7
128.06238	6.6
128.29861	2.9
129.07001	14.7
131.08586	22.0
133.06505	4.9
133.10129	30.6
135.08069	5.6
138.05498	8.1
141.06985	3.9
142.04990	18.2
142.07787	10.0
143.08559	21.4
145.06497	12.1
145.10130	21.4
147.07973	15.6
147.11667	6.7
148.11234	8.9
149.09615	8.8
155.08553	10.0
156.09309	16.0
157.10143	28.2
158.09604	4.3
159.08064	10.2
159.11687	9.4
161.06038	4.3
161.09633	12.7
163.11183	5.7
165.07085	5.0
167.08556	4.1
168.09256	3.3
169.10110	16.7
170.10896	12.3
171.08049	11.7
171.11725	60.5
173.09630	17.1
173.13268	8.0
174.09210	7.1
175.11211	8.6
179.08517	6.7
180.09386	6.2
181.10152	7.0
183.08116	4.4
183.11674	40.5
184.08859	4.9
185.09631	11.8
185.13269	45.3
186.09135	7.5
187.11211	11.5
193.10211	6.2
193.12265	8.1
195.11722	15.1
197.09625	4.6
197.13223	8.6
198.10408	5.1
199.11227	26.5
200.10692	6.8
201.12729	4.4
202.08667	7.9
204.10201	55.1
207.11743	7.4
209.13213	4.8
211.11313	15.3
213.10805	5.3
213.12756	71.4
214.08578	7.1
215.10724	3.9
216.10266	6.6
218.11685	10.9
219.11658	6.1
223.11244	6.1
229.12241	5.0
229.14307	6.0
230.08121	11.1
230.11252	4.0
231.11819	7.5
231.13768	5.9
232.09724	46.3
232.12257	4.6
233.13264	7.8
233.15417	6.9
234.14156	4.3
235.11185	4.2
235.14943	3.7
241.12242	10.5
242.11720	7.3
244.09644	4.9
244.12489	7.0
245.13197	8.6
245.15410	28.6
246.11281	4.7
246.13980	6.3
247.11186	7.6
247.14894	11.1
248.09364	4.9
250.10748	19.2
251.53767	3.5
255.13879	6.3
257.13199	4.3
258.14105	6.4
259.10889	5.4
259.14914	10.7
260.09332	4.9
260.12085	4.7
261.16476	4.8
264.12216	6.2
267.15762	19.0
273.14600	24.2
275.14203	5.6
276.08612	7.2
278.10016	5.1
283.14920	5.2
284.15561	4.0
285.16864	9.2
287.14319	5.3
287.17746	3.6
288.12299	4.3
301.15735	10.2
317.14948	4.3
319.16736	4.0
328.99197	3.7
332.14905	8.0
333.16959	4.1
374.04095	3.7
384.19092	3.7
386.21033	4.7
393.18869	4.3
398.21057	9.0
414.20667	4.6
416.22281	6.5
418.19928	3.4
426.20435	10.0
430.19928	10.4
444.21805	17.8
458.23462	6.6
459.27405	31.3
460.20819	9.0
462.22806	10.0
472.21356	26.0
476.24246	10.9
477.28717	28.0
486.22595	9.1
490.22202	24.3
494.25629	6.5
504.23856	30.5
522.24902	23.5
536.26569	3.8
540.25769	4.7
550.24396	16.6
554.26501	4.5
564.25861	15.9
572.26428	5.3
582.27002	21.3
590.26910	5.2
596.28351	14.0
604.28717	7.0
610.26318	14.0
614.29688	26.3
624.27905	12.0
642.29010	21.4
710.31549	21.9
724.32837	23.4
742.34424	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.01865	4.0
55.05266	5.2
55.05515	74.7
55.19570	3.1
57.03440	5.4
65.03936	3.4
67.05504	25.0
68.05007	6.6
69.03426	4.6
69.07048	8.8
69.22931	13.4
69.23354	17.8
70.06591	7.1
71.04996	3.8
72.04510	6.8
73.56175	3.2
79.05489	21.4
80.64884	3.1
81.03423	25.1
81.07061	17.9
83.04986	100.0
83.08618	6.0
85.02914	5.0
86.06057	7.1
86.28422	3.2
89.14091	2.9
91.05495	29.9
92.47314	2.9
93.07062	20.9
95.04970	16.3
95.08608	15.0
96.04490	49.3
97.06505	3.7
97.10167	3.6
99.22927	3.7
100.40546	3.8
103.05445	4.9
104.07092	7.8
105.07026	31.2
107.04961	8.9
107.08575	13.3
109.06507	5.2
109.10161	12.1
114.05533	11.5
115.05457	5.3
116.07050	3.6
117.07030	17.0
119.08579	31.1
121.06537	3.9
121.10152	8.6
122.06029	3.9
124.03974	39.7
128.06238	6.6
128.29861	2.9
129.07001	14.7
131.08586	22.0
133.06505	4.9
133.10129	30.6
135.08069	5.6
138.05498	8.1
141.06985	3.9
142.04990	18.2
142.07787	10.0
143.08559	21.4
145.06497	12.1
145.10130	21.4
147.07973	15.6
147.11667	6.7
148.11234	8.9
149.09615	8.8
155.08553	10.0
156.09309	16.0
157.10143	28.2
158.09604	4.3
159.08064	10.2
159.11687	9.4
161.06038	4.3
161.09633	12.7
163.11183	5.7
165.07085	5.0
167.08556	4.1
168.09256	3.3
169.10110	16.7
170.10896	12.3
171.08049	11.7
171.11725	60.5
173.09630	17.1
173.13268	8.0
174.09210	7.1
175.11211	8.6
179.08517	6.7
180.09386	6.2
181.10152	7.0
183.08116	4.4
183.11674	40.5
184.08859	4.9
185.09631	11.8
185.13269	45.3
186.09135	7.5
187.11211	11.5
193.10211	6.2
193.12265	8.1
195.11722	15.1
197.09625	4.6
197.13223	8.6
198.10408	5.1
199.11227	26.5
200.10692	6.8
201.12729	4.4
202.08667	7.9
204.10201	55.1
207.11743	7.4
209.13213	4.8
211.11313	15.3
213.10805	5.3
213.12756	71.4
214.08578	7.1
215.10724	3.9
216.10266	6.6
218.11685	10.9
219.11658	6.1
223.11244	6.1
229.12241	5.0
229.14307	6.0
230.08121	11.1
230.11252	4.0
231.11819	7.5
231.13768	5.9
232.09724	46.3
232.12257	4.6
233.13264	7.8
233.15417	6.9
234.14156	4.3
235.11185	4.2
235.14943	3.7
241.12242	10.5
242.11720	7.3
244.09644	4.9
244.12489	7.0
245.13197	8.6
245.15410	28.6
246.11281	4.7
246.13980	6.3
247.11186	7.6
247.14894	11.1
248.09364	4.9
250.10748	19.2
251.53767	3.5
255.13879	6.3
257.13199	4.3
258.14105	6.4
259.10889	5.4
259.14914	10.7
260.09332	4.9
260.12085	4.7
261.16476	4.8
264.12216	6.2
267.15762	19.0
273.14600	24.2
275.14203	5.6
276.08612	7.2
278.10016	5.1
283.14920	5.2
284.15561	4.0
285.16864	9.2
287.14319	5.3
287.17746	3.6
288.12299	4.3
301.15735	10.2
317.14948	4.3
319.16736	4.0
328.99197	3.7
332.14905	8.0
333.16959	4.1
374.04095	3.7
384.19092	3.7
386.21033	4.7
393.18869	4.3
398.21057	9.0
414.20667	4.6
416.22281	6.5
418.19928	3.4
426.20435	10.0
430.19928	10.4
444.21805	17.8
458.23462	6.6
459.27405	31.3
460.20819	9.0
462.22806	10.0
472.21356	26.0
476.24246	10.9
477.28717	28.0
486.22595	9.1
490.22202	24.3
494.25629	6.5
504.23856	30.5
522.24902	23.5
536.26569	3.8
540.25769	4.7
550.24396	16.6
554.26501	4.5
564.25861	15.9
572.26428	5.3
582.27002	21.3
590.26910	5.2
596.28351	14.0
604.28717	7.0
610.26318	14.0
614.29688	26.3
624.27905	12.0
642.29010	21.4
710.31549	21.9
724.32837	23.4
742.34424	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2239
Annotation	Kaempferol-3-Glucoside-2''-Rhamnoside-7-Rhamnoside
Peak:m/z	Relative Intensity
53.03913	0.2
55.01859	0.2
55.05482	0.2
57.03447	1.5
61.02899	0.6
68.99765	0.2
69.03435	0.9
70.06575	0.2
71.01350	0.2
71.05000	8.4
71.54514	0.1
73.02881	0.5
75.04463	0.3
78.43454	0.2
81.03376	0.5
83.04953	0.4
85.02913	11.0
86.09686	0.2
87.04456	0.3
91.05455	0.2
97.02898	0.8
99.04461	0.3
103.33129	0.1
105.06930	0.2
107.04999	0.2
109.02838	0.3
111.00772	0.3
111.04396	0.4
121.02861	1.1
127.03915	0.7
129.05490	2.8
133.02864	0.3
135.04431	0.1
137.02299	0.5
145.04919	0.6
147.04375	0.3
147.06503	1.0
153.01840	1.4
155.06190	0.2
161.05925	0.2
165.01891	0.9
167.06926	0.2
172.03915	0.2
182.08168	0.2
183.02899	0.3
194.08202	0.2
202.41739	0.1
204.06612	0.3
212.09128	0.2
213.05429	0.5
231.06535	0.2
241.05003	0.4
258.05197	0.6
259.06003	0.2
271.05988	0.2
287.05518	100.0
288.05826	1.2
288.30185	0.1
329.06580	0.2
335.42188	0.1
415.10397	0.3
433.11359	21.1
434.11719	0.4
449.10678	0.2
595.16534	0.5
623.60828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.01855	0.2
55.05502	0.2
57.03440	1.3
58.04988	0.1
61.02933	1.5
68.99789	0.1
69.03397	0.5
70.06578	0.3
71.01344	0.1
71.05000	8.4
71.54622	0.2
73.02887	0.5
75.04454	0.6
79.05462	0.1
81.03405	0.3
83.04948	0.4
85.02912	11.0
86.09684	0.1
87.04429	0.1
91.03922	0.5
97.02895	1.0
99.04456	0.1
103.03910	0.1
109.02876	0.2
111.00784	0.4
111.04429	0.3
121.02872	1.2
125.01191	0.1
127.03896	0.4
129.04630	0.2
129.05489	2.6
129.06966	0.1
133.02843	0.3
137.02304	0.5
137.05893	0.2
145.04924	0.3
147.04391	0.3
147.06548	0.9
150.68785	0.1
152.07053	0.4
153.01837	2.1
157.06477	0.2
161.05920	0.1
163.03828	0.1
165.01836	1.0
183.02910	0.4
185.06010	0.2
194.08122	0.4
204.06549	0.2
212.09157	0.4
213.05453	0.5
231.06522	0.5
241.04991	0.5
243.06392	0.1
247.06024	0.2
258.05240	0.5
259.06033	0.3
271.06271	0.1
287.05511	100.0
288.05795	1.4
313.07095	0.2
353.06561	0.1
369.09702	0.1
378.15106	0.1
393.44562	0.1
415.10101	0.2
433.11349	20.7
434.11621	0.4
449.10693	0.4
595.16473	0.4
707.69049	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	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.0
55.01876	2.7
55.05514	13.1
57.03441	9.3
57.07053	1.6
61.02909	1.4
65.03919	1.6
67.05507	36.5
68.48382	0.7
69.03407	1.3
69.07069	10.2
69.35210	4.6
71.04986	2.7
73.02879	1.2
79.05498	33.4
79.42168	0.5
81.03393	1.9
81.07060	37.9
83.04984	3.1
83.08619	9.1
85.02882	1.1
85.06521	1.6
91.05488	13.7
93.07047	49.7
95.04974	5.3
95.08612	51.8
96.31326	0.5
97.02910	4.1
97.06542	4.2
97.10146	2.2
99.04445	4.2
100.24628	0.5
105.04496	0.8
105.06387	0.8
105.07033	11.6
107.04958	7.2
107.08598	33.9
109.06527	2.8
109.09480	0.6
109.10168	10.8
109.90417	0.5
111.04433	1.7
111.08064	1.4
113.05985	0.6
117.06246	0.7
117.07025	11.3
119.07809	0.8
119.08588	13.0
121.06522	5.6
121.10151	19.5
123.08083	1.4
123.11736	3.2
125.06031	2.7
125.09604	0.9
130.07774	1.6
131.08585	4.4
133.10135	6.3
135.08115	2.5
135.11696	51.2
137.09499	0.8
137.13234	1.1
139.07524	2.2
143.08522	0.9
145.10129	27.4
147.11707	2.5
149.12204	0.6
149.13252	3.5
153.12769	1.0
158.25853	0.5
159.11684	2.3
161.13226	2.1
163.11186	58.1
163.14818	1.3
164.11507	0.6
173.09627	1.3
173.13171	1.1
174.09555	0.5
175.14793	0.8
177.16338	0.6
178.28273	0.6
181.12238	10.2
187.14740	1.0
192.07507	0.6
208.49080	0.5
209.11778	1.7
227.12793	72.1
228.13112	0.9
243.21107	2.3
259.72302	0.5
261.22162	7.4
283.15405	100.0
284.15738	1.6
317.24741	2.3
335.25806	88.3
336.26160	1.3
389.61545	0.6
480.44058	0.6
486.34558	0.6
543.36841	84.8
544.37347	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	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01841	1.5
55.05512	11.6
55.05753	0.5
57.03439	7.6
57.07032	1.2
59.76242	0.4
61.02881	1.1
61.03201	0.4
65.03938	2.0
67.05506	35.2
67.05843	1.1
67.06033	1.2
69.03381	1.2
69.07068	10.4
69.07412	0.4
69.26243	0.3
69.31439	2.0
69.31857	1.2
71.04983	2.6
72.26632	0.3
73.02886	0.8
77.03888	0.7
79.05495	31.3
81.03429	2.0
81.03786	0.4
81.07057	36.0
83.04996	2.6
83.08622	7.5
85.02885	1.0
85.06510	0.9
91.05481	11.5
93.07044	41.1
95.04977	4.4
95.08607	43.8
96.08938	0.6
97.02898	3.4
97.06538	2.9
97.10121	1.2
98.21452	0.7
99.04446	2.4
99.08097	0.4
105.04503	0.6
105.07027	10.2
107.04963	5.1
107.08596	27.5
108.08892	0.4
109.06546	1.8
109.09480	0.6
109.10153	8.8
111.04406	1.1
111.08040	1.4
113.05907	0.5
115.05395	0.5
116.90112	0.3
117.06234	0.6
117.07016	8.1
119.06062	0.4
119.08581	9.8
121.06509	3.8
121.10144	17.5
123.08025	0.6
123.11732	2.9
125.06029	1.8
130.07698	1.0
131.04889	0.4
131.08566	3.3
133.10133	5.5
135.08102	1.9
135.11694	34.2
136.11964	0.7
137.09555	0.4
137.13243	0.9
139.07507	1.2
143.08556	0.9
145.06450	0.4
145.10123	21.0
146.10347	0.4
147.11630	2.2
149.13293	2.9
149.47940	0.4
153.12692	0.7
159.11613	1.3
161.13211	1.8
163.11185	40.5
163.14796	1.5
164.11601	0.4
173.09482	0.5
173.13264	1.4
175.14764	0.7
181.12224	7.0
187.14859	1.2
201.16481	0.5
209.11647	1.1
227.12785	43.8
233.22552	0.4
243.21043	1.6
261.22144	6.5
283.15396	46.6
284.15778	0.6
313.78217	0.4
317.24765	2.0
335.25797	100.0
336.26196	2.0
359.20724	0.4
469.33374	0.5
506.31158	0.4
543.36823	76.2
544.37091	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	740.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55182	0.4
53.03939	1.5
55.01864	1.3
55.05513	4.5
57.03239	0.4
57.03444	3.8
59.04992	0.9
61.02903	0.5
63.25029	0.4
65.03957	0.7
67.05507	17.4
69.03428	1.6
69.07075	3.2
69.92472	2.1
71.04999	6.9
74.09746	0.5
76.27085	0.4
79.05491	8.4
81.03421	17.0
81.07060	23.8
83.04981	3.1
83.08631	5.1
84.01035	0.4
85.02881	0.5
85.06548	3.0
91.05486	10.3
93.07049	8.4
94.45917	0.4
95.04971	9.2
95.08617	4.6
97.02888	0.7
97.06538	2.1
97.10175	1.8
99.08110	0.9
103.05475	0.6
104.19724	0.5
105.03394	1.0
105.06369	0.8
105.07031	7.8
107.04961	6.6
107.08606	5.5
109.06521	4.7
109.10162	3.2
111.04459	0.8
111.08092	1.9
115.05451	0.7
117.07025	3.3
119.04951	0.8
119.08573	3.7
121.06497	5.2
121.10117	3.6
123.08089	2.0
123.11710	3.8
125.09629	1.7
128.06239	0.6
129.07019	3.0
130.73058	0.4
131.04930	1.4
131.08580	6.9
133.06520	1.5
133.10138	6.9
135.08041	1.8
135.11703	1.5
137.09592	0.7
141.06956	1.0
142.07782	0.8
143.08566	1.8
145.06483	1.7
145.10110	2.4
147.08058	1.7
147.11681	1.9
149.09676	2.3
149.13258	1.0
151.11165	2.6
153.09113	0.7
155.08588	0.9
157.10159	2.8
159.08060	0.8
159.11703	1.5
161.09593	0.6
161.13300	0.6
163.11183	2.0
165.12720	0.7
167.08572	0.7
169.10229	0.8
169.12294	0.5
171.08032	0.5
171.10368	0.5
171.11758	1.4
173.09657	0.6
173.13258	1.9
175.11218	2.9
177.12781	1.2
181.10159	0.9
183.11717	1.5
183.13817	0.7
185.09593	0.5
185.13271	1.4
187.11224	0.6
187.13321	0.9
189.09087	0.6
189.11310	0.9
191.14351	1.4
193.12254	4.0
195.11671	0.6
195.13774	0.5
199.11299	0.5
201.12830	0.8
209.13292	0.7
213.12868	0.7
217.15947	0.6
219.13765	3.0
221.15479	0.6
227.12683	0.5
231.13754	0.7
245.15547	0.5
249.14902	1.0
257.17633	0.9
261.14880	0.8
267.15900	7.1
269.17532	1.3
273.18600	0.7
275.16513	0.8
301.20065	3.3
315.23270	0.7
325.21640	1.5
343.22693	3.8
351.23093	0.6
361.23688	1.0
369.24182	1.9
371.25748	0.7
387.25299	1.0
417.26285	3.7
425.27371	1.0
435.27457	12.1
439.27060	0.5
443.27893	8.5
461.29010	100.0
462.29413	3.2
475.30429	1.2
493.31577	4.5
503.30096	0.7
527.29767	0.5
569.30902	0.7
587.32599	1.1
589.33252	0.7
601.33557	0.7
605.33270	0.7
619.34753	0.6
650.87842	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.1
55.01874	19.5
55.05515	34.7
57.03440	18.3
57.07081	3.3
59.04998	4.1
61.02932	2.9
65.03925	2.0
67.05508	46.2
69.03428	7.5
69.07073	13.2
70.06596	4.1
71.01366	2.0
71.05001	8.6
73.02919	4.5
74.02638	1.7
77.26821	1.6
79.05494	40.4
81.03422	100.0
81.07061	39.5
83.04486	2.6
83.04984	51.0
83.08617	27.0
85.02905	6.6
85.06531	3.0
86.06081	2.1
87.04491	4.6
91.05482	39.1
93.07049	35.2
95.04971	41.1
95.08604	20.7
97.02892	10.4
97.06544	10.2
97.10173	10.9
98.06091	2.5
98.07271	1.8
99.04459	2.5
99.08100	2.1
103.05420	2.8
105.03371	2.2
105.07030	25.2
107.04964	24.9
107.08601	26.3
109.02877	2.1
109.06536	8.6
109.10143	19.0
111.04443	20.5
111.08085	17.5
116.04713	4.9
117.05462	2.1
117.07031	11.2
119.04965	2.2
119.08573	24.6
121.02869	5.9
121.06506	10.4
121.10146	15.6
121.78975	1.6
122.06036	9.0
123.04442	4.6
123.08084	5.8
123.11750	2.0
125.06007	2.2
125.09631	10.3
127.03924	2.6
127.54816	1.6
129.05478	11.4
129.06993	17.3
131.04916	7.2
131.08572	21.3
133.06479	6.0
133.10147	10.7
135.04449	6.2
135.08066	4.7
135.11700	21.8
137.05974	3.3
137.09610	3.9
140.07072	31.7
141.07001	1.7
142.07776	2.9
143.07100	3.0
143.08578	5.3
144.06572	5.7
145.06488	4.8
145.10146	17.3
147.08017	8.8
147.11687	9.4
149.05894	1.8
149.09622	8.7
153.12750	32.4
155.08546	5.1
156.09373	2.2
157.08627	4.8
157.10143	19.4
159.08060	4.6
159.11699	3.0
161.09648	4.1
162.09058	3.1
163.11198	24.3
168.06564	49.8
171.10269	2.8
171.11725	7.9
173.09650	7.6
173.11679	4.9
173.13150	2.9
175.11189	14.5
181.10658	2.8
181.12233	22.1
183.11646	8.0
185.09596	3.5
185.13329	5.2
189.11235	6.1
191.10651	15.5
193.12257	39.1
193.13881	3.2
195.11583	2.2
199.11310	3.6
199.13281	4.5
201.12791	3.0
205.12231	3.0
207.11830	2.0
209.11681	13.8
209.13428	2.1
211.11421	3.2
211.13249	10.6
213.12700	5.4
219.13954	3.5
227.10548	3.9
227.12773	52.7
229.12245	2.3
229.14328	14.5
231.13815	2.7
247.13313	16.2
249.14819	3.7
255.15971	1.9
259.13248	3.7
265.14560	3.4
267.15930	86.8
268.16403	2.0
273.14853	2.1
277.14386	2.2
283.15414	38.2
285.16956	3.0
301.16592	13.7
309.16901	1.9
321.17004	5.6
355.22736	2.5
365.21246	2.6
383.22116	6.9
401.23370	6.0
421.25833	6.6
447.27393	2.1
457.25919	4.4
461.28949	7.9
475.26871	29.0
493.27924	18.9
525.30817	2.9
601.29742	2.6
640.30292	4.7
740.37152	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	740.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
55.01871	7.4
55.05514	68.2
57.03431	5.8
59.04999	1.9
65.03938	2.0
67.05511	16.1
68.05020	3.2
69.03432	11.5
69.07059	8.3
69.17899	16.7
69.18310	4.2
70.06599	27.0
71.04964	2.5
79.05499	20.4
81.03418	31.2
81.07064	17.2
82.02940	12.8
83.01328	3.5
83.04986	84.2
83.08617	7.2
85.02904	4.1
86.06071	26.8
87.04465	13.7
91.05479	28.6
93.07047	16.9
95.04984	15.9
95.08620	10.7
96.08133	3.5
97.02890	3.0
97.06518	5.2
98.06059	100.0
103.05467	4.6
105.03345	2.6
105.04519	2.3
105.07041	26.2
107.04958	7.0
107.08588	13.3
109.06535	3.4
109.10135	9.1
111.04463	8.5
111.08126	3.4
115.05442	11.7
117.07024	56.1
119.07800	2.6
119.08586	33.0
121.06503	5.9
121.10146	10.0
122.06036	12.1
123.08095	4.4
124.07616	13.5
128.06232	5.8
129.07008	17.5
131.04959	2.2
131.08565	25.9
133.06535	5.5
133.10132	22.3
135.04456	2.6
135.08047	4.5
135.11687	6.8
141.06978	6.7
142.07764	11.8
143.04922	4.1
143.08572	24.0
145.06491	28.7
145.10123	18.8
147.08072	10.8
147.11690	8.0
149.09633	5.8
150.05499	22.8
152.07050	5.0
153.07047	2.6
153.12770	11.5
155.06056	2.0
155.08537	12.7
156.09332	18.4
157.06555	5.4
157.10146	33.1
159.08072	14.9
159.11707	7.6
160.07561	3.0
161.06003	3.3
161.09645	13.5
162.09134	2.1
163.11206	10.3
165.07059	3.2
165.09154	2.1
166.07739	1.8
167.08583	7.8
168.06584	16.4
169.06561	3.7
169.10091	15.5
170.10912	16.9
171.08028	12.8
171.11696	53.1
172.08810	4.3
173.05971	2.3
173.09618	14.6
173.13333	3.5
175.11249	5.7
178.07735	2.5
179.08606	3.1
180.09393	4.7
181.10194	9.5
181.12225	7.2
182.10936	2.8
183.08078	5.4
183.11707	35.3
184.08856	6.5
185.06111	2.6
185.09695	10.6
185.13260	56.7
186.12743	2.0
187.11217	6.5
189.09103	2.2
189.12807	2.6
191.08740	2.4
191.10654	7.1
193.10158	8.8
193.12263	12.5
194.10803	2.3
195.08067	3.1
195.11729	11.0
197.09604	12.1
197.13255	6.4
198.10405	7.3
199.11218	27.3
200.10753	8.0
201.12888	4.7
202.12263	28.1
203.10741	2.7
203.14397	3.0
205.10127	4.1
205.12111	2.4
207.11685	5.1
209.09625	5.4
209.11571	4.2
209.13353	3.9
211.11234	17.0
211.13104	3.9
212.10608	2.8
213.09448	2.8
213.12761	70.8
213.14795	3.7
214.12337	6.8
215.10698	2.1
215.14314	2.7
216.13857	2.6
217.10210	3.5
217.12241	2.4
219.11716	5.0
220.12477	2.6
221.09669	3.4
221.13277	6.1
223.11174	8.4
225.09134	2.1
225.12770	3.4
227.10786	3.4
227.12720	16.0
228.10202	9.4
229.10242	2.8
229.12282	3.4
229.14397	3.8
230.11794	44.3
231.11929	9.3
231.13792	3.8
232.12602	3.0
233.13278	7.4
234.10091	2.2
235.11182	5.2
235.14777	4.7
237.09021	2.1
237.12720	5.1
241.12262	6.2
242.11609	4.1
243.11664	6.0
243.13896	7.2
244.12660	8.7
245.13179	8.3
245.15367	26.1
246.11086	8.4
246.13908	3.7
247.11177	5.6
247.14885	6.8
248.12833	37.9
249.12691	6.1
249.16545	4.6
251.14243	2.3
253.10170	3.4
255.11589	4.8
255.13869	6.0
256.09695	4.4
256.12405	3.1
257.13293	5.9
258.11160	9.2
258.13678	9.3
259.10974	2.6
259.15106	15.1
260.12567	5.8
260.15634	4.1
261.12747	5.1
261.16391	5.8
262.14044	5.3
263.14294	3.6
265.12158	3.2
267.11642	4.5
267.15942	22.3
268.12952	3.2
269.13281	4.5
270.14130	6.0
271.15009	4.0
272.12088	3.3
273.12299	3.9
273.14691	33.7
274.10718	12.7
274.13382	3.1
275.14297	6.3
275.17441	2.1
276.12195	8.0
277.15817	3.8
280.13141	2.9
281.13181	3.4
282.14127	2.2
283.11148	2.8
283.15298	16.2
284.15579	5.4
285.12744	4.5
285.16382	8.5
286.13733	6.2
287.14404	6.6
288.15158	2.4
289.15747	3.0
291.17468	3.6
295.14758	2.6
296.15579	4.7
297.12878	4.5
297.16336	9.5
298.14059	6.2
299.14490	4.3
299.17719	4.4
301.15872	11.2
301.19067	3.0
302.16608	4.5
311.14590	3.3
311.17902	7.1
312.15057	3.1
313.15897	6.3
313.19296	2.5
315.17380	6.0
317.18900	2.1
319.16885	5.8
323.14169	2.1
324.14935	3.5
325.15866	5.3
327.17395	6.3
329.19016	10.7
330.16696	2.0
331.16962	2.6
333.17691	7.1
339.17386	14.7
340.14987	4.0
341.18997	2.8
342.16672	2.2
343.16910	4.3
357.18317	12.9
359.20291	2.8
360.18423	4.7
367.17014	5.9
371.19904	3.3
375.19476	3.2
383.22119	2.8
385.18054	6.7
389.21133	4.0
393.19052	3.4
399.19772	4.7
401.22681	2.1
414.24393	2.4
417.20624	3.5
424.22540	6.8
428.22052	11.9
430.19403	2.0
440.21973	4.2
442.23846	20.7
452.22269	9.1
458.23221	6.5
459.22717	2.2
460.24753	7.4
461.29398	3.4
470.23300	35.9
472.24823	3.1
474.26242	3.5
475.26971	10.5
484.24750	7.0
488.24405	33.7
490.25894	6.7
492.27325	7.2
493.27975	6.0
502.25909	32.0
520.26984	69.4
520.89929	2.4
521.26752	3.3
524.28058	1.8
530.25275	6.1
538.28180	9.5
548.26587	25.7
552.28839	2.6
562.27527	7.0
566.27216	8.9
579.29205	4.2
580.29102	34.4
590.27844	3.4
598.20618	3.1
598.30176	50.4
599.30170	2.2
608.28546	36.4
620.31677	2.2
622.29797	8.2
626.29010	4.1
640.31061	28.1
658.32007	5.2
690.32190	10.3
708.33392	15.3
722.35321	13.1
740.36511	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	740.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90091	2.9
53.03941	5.3
55.05264	4.3
55.05517	69.2
59.04996	2.9
60.07132	2.9
65.03951	3.0
67.05515	12.6
68.05054	3.2
69.03419	13.4
69.07078	6.7
69.18917	14.6
69.19326	12.7
70.06605	13.8
79.05507	11.7
81.03429	16.6
81.07063	13.3
83.04992	100.0
83.08624	6.0
86.06076	20.0
87.04484	5.9
91.05492	23.2
93.07043	14.3
95.04989	11.0
95.08625	10.4
97.10179	4.3
98.06068	46.2
103.05479	3.2
105.07047	19.9
107.04964	4.9
107.08624	9.8
109.06538	4.4
109.10168	7.4
114.05547	13.1
115.05473	6.7
116.07147	4.5
117.07016	30.6
119.08573	19.7
121.06529	4.9
121.10188	8.2
122.06040	7.7
123.08054	3.2
124.07619	5.3
128.06236	5.0
129.07037	10.4
130.07799	3.8
131.04849	3.3
131.08543	20.3
133.06558	4.9
133.10156	23.6
135.08105	5.9
140.07095	11.6
141.07030	6.9
142.05028	6.9
142.07829	7.1
143.08615	17.6
144.05766	3.6
145.06514	25.5
145.10141	18.3
147.08078	10.3
147.11771	5.4
149.09676	10.0
150.68469	2.3
155.08612	12.3
156.09380	12.0
157.10153	29.7
159.08095	16.5
159.11711	9.2
160.07565	4.1
161.06023	3.3
161.09641	13.3
162.09206	6.3
163.11243	7.2
165.07033	3.8
167.08543	5.4
168.06606	19.0
169.10172	14.3
170.10924	6.0
171.08096	15.6
171.11711	37.1
173.05957	5.6
173.09656	12.6
173.13289	3.4
174.09169	4.8
175.11206	3.1
181.10086	5.8
183.08138	5.7
183.11720	30.5
185.09654	14.5
185.13290	30.5
187.11208	5.0
191.10605	4.6
193.10274	3.8
193.12329	5.9
195.11795	9.9
197.09625	9.6
197.13313	4.5
198.10495	3.5
199.11243	15.2
200.10707	6.7
202.12299	30.6
205.12296	2.9
207.11800	5.4
209.09735	6.9
211.11241	12.3
213.09369	2.9
213.12776	46.9
214.12379	3.0
216.13863	3.7
217.10297	4.5
221.09834	3.3
221.13309	4.6
223.11334	2.8
227.10663	3.9
228.10126	4.3
229.12350	3.5
230.11794	32.2
231.11955	2.9
231.13873	3.6
233.13402	4.3
235.11082	4.0
237.12817	3.6
241.12364	5.0
243.11768	4.0
243.13968	7.2
244.13055	3.0
245.13391	3.7
245.15399	16.7
246.11278	8.0
247.11487	2.4
248.12862	19.6
255.11777	3.8
256.13162	3.4
257.13309	3.8
258.11368	3.6
259.15085	4.9
267.11856	4.2
267.15964	6.3
271.15033	5.9
273.14816	24.0
275.14536	3.2
276.12335	4.4
281.13480	3.3
283.15182	7.3
284.15543	2.6
285.12726	4.8
285.16379	3.3
287.14276	4.2
287.18069	4.4
291.17474	3.9
296.12488	3.1
297.12973	2.6
297.16516	6.4
298.17438	3.0
299.14417	6.6
301.16302	4.9
309.12997	3.2
311.14557	3.7
311.17908	4.0
313.15961	5.6
315.17697	9.8
317.15417	3.4
324.15308	5.0
325.15906	5.2
327.17551	5.4
329.19107	4.2
333.17007	4.9
339.17590	9.6
342.16254	3.6
343.17297	3.9
357.18698	10.2
360.18307	4.8
367.17133	6.7
367.55078	3.1
383.22366	3.6
385.18231	7.6
389.21143	4.2
399.19965	4.3
410.21335	3.6
417.20950	3.3
424.22757	5.7
428.22552	5.9
435.21872	3.4
440.22617	3.4
442.24139	7.6
457.25797	7.1
459.27304	4.3
460.27719	3.9
461.28290	6.2
470.23334	14.9
472.24557	4.8
474.26605	7.3
475.26926	23.7
479.29007	5.0
484.24960	6.0
488.24521	8.4
490.25909	8.9
493.28226	10.9
502.26065	16.8
520.27026	29.9
530.25873	3.5
538.28204	7.9
548.26776	5.1
562.27777	3.8
580.28925	24.0
598.30414	8.8
608.28204	4.1
622.30493	4.4
640.31097	45.8
641.31573	3.2
658.32489	11.4
708.34210	4.1
722.36700	3.8
740.36438	98.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
54.83659	1.9
55.01875	4.1
55.05515	78.6
57.03431	2.0
57.31017	2.0
67.05505	11.0
68.05044	2.3
69.03437	10.7
69.07076	4.8
70.06598	15.7
71.04974	2.7
71.55813	3.3
79.05492	11.5
81.03409	13.0
81.07069	8.1
83.04989	96.4
83.08618	3.4
85.06564	2.1
86.06065	22.6
87.04479	5.3
91.05495	24.6
93.07053	13.0
95.04974	12.5
95.08624	7.7
96.04514	3.9
97.02880	2.8
97.10184	3.1
98.06064	51.1
98.06679	3.7
103.05536	2.2
105.07027	22.4
107.04981	5.8
107.08620	7.7
109.06546	4.9
109.10195	6.0
114.05511	13.7
115.05450	10.0
116.06282	2.3
116.07096	2.9
117.07020	24.9
119.05005	2.4
119.08595	27.9
121.06541	4.7
121.10163	6.4
122.06074	4.2
123.08108	2.4
124.07623	8.7
125.09682	3.1
128.06247	6.3
128.57492	2.0
129.06978	13.5
130.07819	2.8
131.04956	3.0
131.08578	16.7
132.08127	2.3
133.06566	4.2
133.10141	20.7
135.08076	5.3
140.07259	2.3
141.07014	4.2
142.05046	8.0
142.07834	8.5
143.08553	19.0
144.05753	4.8
145.06493	25.9
145.10121	22.2
146.09680	2.3
147.08037	11.4
147.11725	3.1
149.09688	6.9
155.08575	11.8
156.09314	9.8
157.06505	4.8
157.10132	29.8
158.07376	1.9
158.09695	3.0
159.08047	14.2
159.10521	3.2
159.11664	11.7
161.06030	2.5
161.08513	2.3
161.09645	11.9
162.09219	6.3
163.07628	2.7
163.11243	5.5
165.07045	4.0
165.09114	4.6
167.08623	5.4
169.10156	13.8
170.10925	9.5
171.08052	16.9
171.11691	38.2
172.08870	3.5
173.06041	3.7
173.09618	18.5
173.13283	3.4
174.09209	4.4
175.11224	3.4
179.08586	3.2
180.09406	3.6
181.10095	4.3
183.08153	7.2
183.11674	24.8
183.14642	1.8
184.08847	3.3
184.12434	2.7
185.09691	11.9
185.13277	33.8
187.07527	2.3
187.11227	5.5
189.09207	3.3
191.10789	2.4
193.10228	4.1
193.12253	3.6
195.08125	3.3
195.11771	7.5
197.09685	11.7
197.13315	7.1
198.10483	4.9
199.11174	17.0
200.10811	6.2
201.09192	2.6
201.12915	3.4
202.12280	35.4
205.12299	4.9
205.39450	2.2
207.11761	4.7
208.12482	2.4
209.09592	3.4
209.13306	3.1
211.11206	12.6
213.09402	4.0
213.12766	49.7
214.12276	3.1
216.13937	4.8
217.12373	2.4
219.11771	4.8
223.11374	3.4
223.14961	2.5
225.09261	3.8
227.10710	3.1
228.10159	2.8
228.13928	2.2
229.10405	2.4
229.12384	4.5
230.11780	37.5
231.10188	5.2
231.13907	4.6
232.12563	3.7
233.13387	2.9
241.12334	4.0
242.11766	4.4
243.11772	3.5
243.13911	6.3
244.13045	5.0
245.13344	3.8
245.15373	14.4
246.11295	6.2
246.13876	2.1
247.14969	3.8
248.12865	19.6
253.09917	2.4
255.11644	4.1
255.13971	4.2
256.13309	3.2
257.13358	4.7
258.11292	3.4
258.14380	3.9
259.15121	4.7
260.12860	3.7
262.14438	3.3
263.14526	2.2
263.18112	2.1
267.11679	2.9
267.16095	5.1
268.13266	2.3
269.13394	4.5
270.14099	3.6
272.15826	3.1
273.12149	2.0
273.14737	26.5
276.12408	3.7
280.13141	2.6
281.13345	3.5
282.14563	2.7
283.15250	5.9
284.15784	4.8
285.12988	4.6
285.16574	5.9
286.14020	3.1
287.14426	4.8
287.17914	3.3
297.13101	3.4
297.16473	4.0
298.13846	3.8
299.14423	5.8
299.18094	3.7
300.15121	3.9
301.15869	3.0
301.19647	2.0
309.12787	2.8
310.13583	4.3
311.14584	2.9
311.18155	5.4
313.16016	3.9
314.16714	2.6
315.17581	9.1
324.15039	5.4
325.16028	7.0
327.13895	4.7
327.17612	6.0
329.19049	5.9
333.17352	4.1
339.17691	8.7
342.16611	4.2
343.16989	4.5
357.18613	13.0
359.19962	2.7
360.18283	5.0
366.18890	2.4
367.17133	6.9
371.19754	3.4
375.14853	2.0
375.19662	5.2
382.22247	2.3
383.22202	2.4
385.18192	5.7
387.19781	3.4
389.21088	4.5
393.19800	2.4
399.19815	5.1
410.21228	3.7
417.20700	5.7
424.22693	2.8
428.22253	4.6
440.22214	3.6
442.23572	10.7
452.22409	3.5
457.26001	7.1
459.27850	3.5
460.25229	3.4
461.28464	6.9
470.23407	10.0
472.25259	3.0
474.26733	7.3
475.26923	21.7
479.29260	5.0
484.25034	7.1
488.24551	8.4
490.25861	4.4
492.27747	2.6
493.27960	10.9
495.23959	2.9
502.26077	21.7
520.27051	29.9
530.25421	3.0
538.28375	8.6
548.26440	4.3
562.28326	6.1
566.27655	2.9
580.29016	24.1
590.28052	3.2
598.30383	5.4
608.28497	4.6
612.83990	2.2
622.30420	3.4
640.31244	45.1
658.32458	9.1
722.35315	3.8
740.36487	100.0
741.36902	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	740.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.7
55.01863	13.2
55.05515	5.8
55.19350	3.3
57.11471	3.5
59.77017	3.8
60.29173	3.1
60.66942	2.9
67.05505	19.6
69.03419	6.6
69.07059	7.2
70.61337	11.9
79.05513	31.7
81.03418	19.7
81.07060	16.4
83.04964	7.4
90.25003	3.5
91.05474	31.0
93.07040	14.8
95.04948	16.0
95.08611	7.3
97.02904	4.2
97.06512	4.4
98.21447	3.4
103.05481	43.7
105.03407	77.7
105.07041	19.2
107.04974	13.4
107.08593	10.5
109.06520	5.6
109.10130	9.9
115.05365	5.7
116.55927	3.3
117.07015	12.6
119.08596	38.1
121.06480	4.4
121.10164	4.2
128.06274	7.5
129.07043	19.1
131.04929	100.0
131.08589	27.2
133.06487	7.1
133.10110	16.1
135.08078	4.8
141.06938	3.9
142.07796	6.1
143.08565	14.4
145.06526	16.4
145.10120	16.3
147.08061	74.2
149.09650	35.3
155.08551	4.8
156.09309	6.0
157.10161	23.7
159.08075	44.1
159.11687	39.9
161.09634	37.9
169.10095	19.9
171.08128	3.8
171.11650	21.4
173.09637	11.3
173.13268	14.1
174.20224	3.6
175.07613	20.7
175.11206	4.2
177.09174	5.1
177.94354	3.5
182.10588	4.0
183.11728	26.3
185.09721	4.4
185.13295	7.4
187.11159	10.3
189.09102	3.6
197.09540	6.7
197.13231	6.4
199.11145	11.2
201.12738	6.9
207.11684	6.7
211.11392	5.2
211.14728	4.1
215.10661	5.9
221.13283	6.9
223.11263	6.1
225.12750	10.1
227.10818	6.4
229.12270	13.8
233.09514	4.0
233.15335	10.0
237.12689	5.6
239.10815	5.6
239.14188	4.3
243.13898	8.4
245.15488	4.7
261.12595	6.7
261.14883	8.4
275.20041	4.3
300.15076	6.9
313.15942	5.5
315.17529	18.4
331.16931	4.6
333.18323	18.7
343.16946	8.4
347.20050	10.6
349.17233	3.7
357.18497	10.1
361.17984	5.3
375.19482	19.9
385.18140	4.6
389.21097	20.4
390.02719	3.8
391.18863	4.9
393.15457	4.1
402.34921	4.2
403.19235	19.1
407.22250	75.6
417.20593	43.9
426.72977	3.4
435.21747	65.7
497.18152	10.3
525.35583	6.1
538.91241	4.4
543.36389	9.1
557.25092	15.3
644.24261	9.0
706.21588	3.9
740.15039	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	739.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01857	0.9
55.05518	1.0
57.03427	0.8
61.23577	0.5
65.03928	0.8
67.05504	3.0
69.03413	1.5
69.07064	2.4
77.03915	1.0
79.05494	3.2
81.03429	1.3
81.07059	2.6
83.05002	1.2
91.05470	5.9
93.07060	4.7
95.04977	6.4
95.08603	1.9
97.06549	3.4
102.04670	0.7
103.05474	39.9
105.03427	1.0
105.04485	1.2
105.07025	7.5
107.04984	0.8
107.08614	3.6
109.06519	2.0
109.10147	0.8
115.05432	1.0
117.07010	2.6
119.08588	8.5
121.06499	2.8
121.10155	2.3
123.04447	1.2
123.08070	1.8
128.06248	1.6
129.07031	2.5
131.04933	100.0
131.08557	8.7
132.05313	1.0
133.06483	1.9
133.10147	5.8
135.04373	0.7
135.08101	2.5
137.09627	0.7
141.06996	1.4
142.07776	1.9
143.08536	3.1
144.08148	0.5
144.09303	0.7
145.06480	1.9
145.10118	4.9
147.08049	9.1
147.11725	0.7
149.06010	1.4
149.09647	2.5
151.07573	0.6
153.07071	1.0
154.07744	0.8
155.08583	2.5
156.09341	3.5
157.10118	5.5
158.07271	0.8
158.10902	1.4
159.08072	6.3
159.11688	2.7
161.05991	2.1
161.09662	2.8
163.07565	1.0
163.11143	0.8
165.07048	1.2
165.09177	0.7
166.07793	1.1
167.08594	1.5
168.09283	1.1
169.10083	3.2
170.10971	0.9
171.08058	1.6
171.11693	6.2
172.08849	2.0
173.09647	4.9
173.13274	5.2
175.07513	1.0
175.11227	0.9
177.09134	1.2
178.07834	0.7
179.08527	1.4
181.10136	2.1
182.10835	0.7
183.08076	1.5
183.11708	4.6
185.09622	3.4
185.13203	2.6
186.10493	2.3
187.07507	1.5
187.11197	2.7
189.09129	0.6
191.08974	0.6
191.10695	1.5
193.10138	3.0
194.10896	1.3
195.11717	2.6
196.08914	0.8
196.12381	0.6
197.09637	1.6
197.13297	1.7
198.10358	1.0
199.11174	4.1
201.09119	1.5
201.12758	9.0
203.08815	0.5
203.10670	1.1
204.09271	0.6
205.10225	0.9
206.11009	0.9
207.11668	3.4
208.12465	1.1
209.09669	1.3
209.13284	3.5
210.10373	0.7
211.11230	4.1
211.14868	0.7
212.12009	0.5
213.12752	3.3
215.08371	0.6
217.10188	1.2
217.12184	0.7
219.08411	0.6
219.11732	1.6
219.13689	0.9
220.12482	1.2
221.13353	2.2
222.10399	0.8
223.11171	1.3
223.14839	1.9
225.12738	1.1
227.10771	1.6
227.14232	0.6
229.12218	17.1
230.10785	0.8
230.12878	0.7
231.11807	3.0
231.13794	0.7
232.12401	1.1
233.13295	1.4
234.13936	1.0
235.11212	0.9
235.15070	0.9
236.11905	0.6
236.15590	0.9
237.12813	2.1
237.16458	1.4
239.14302	0.7
241.12112	0.7
245.13312	1.1
246.14034	1.8
247.11189	1.1
247.13210	0.7
247.15149	0.6
249.12830	2.1
249.16403	2.1
250.13351	0.7
251.14294	1.2
251.18034	2.6
253.12267	0.5
253.15787	0.8
259.11166	1.1
259.14856	0.6
260.12018	0.6
261.12897	0.5
261.13931	0.5
261.16385	3.9
262.13467	0.9
263.14413	1.9
263.17789	0.5
264.15060	0.8
265.12689	0.6
265.15887	1.8
267.14038	0.5
267.17642	0.7
271.14624	0.6
274.13635	1.1
277.12903	0.5
277.15826	2.3
279.17416	6.2
281.15344	0.8
289.15839	4.4
291.17313	0.8
292.14642	0.5
293.15359	0.8
295.16974	1.3
297.18597	2.1
299.06760	0.5
305.15582	0.5
307.16937	12.1
307.20273	0.8
309.18549	1.0
325.18018	9.2
361.18137	0.8
371.16367	0.5
377.17450	2.1
379.19107	1.0
383.18869	0.6
389.17654	1.7
407.18579	9.0
425.19516	4.2
445.24023	1.1
455.22305	3.4
459.21951	0.6
473.23282	4.3
555.23871	1.1
573.24683	0.7
593.28888	1.3
603.28040	0.6
621.28381	0.6
703.29376	0.9
739.30774	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01874	1.5
55.05492	1.8
65.73080	0.7
67.05493	2.5
69.03427	1.3
69.07059	1.2
71.55323	1.2
72.08147	1.1
74.09711	1.3
75.80118	0.7
77.03922	1.0
79.05501	6.8
81.03420	1.6
81.07055	3.4
83.04980	1.9
86.03820	0.7
91.05480	8.5
93.07050	9.3
95.04989	4.7
95.08599	5.1
97.06544	1.4
103.05479	51.9
105.03404	18.1
105.04498	1.7
105.07040	11.5
107.08598	6.9
108.90874	0.7
109.06509	2.7
109.10146	1.2
115.03954	1.0
115.05453	2.7
117.07045	4.1
119.04898	1.2
119.08580	12.4
121.06518	2.3
121.10143	4.0
123.08022	1.5
128.06248	2.3
129.07010	4.1
130.07790	1.2
131.04939	100.0
131.08571	7.3
132.05336	1.3
133.06506	3.3
133.10143	15.3
135.08061	5.3
137.09630	1.2
141.07004	2.1
142.07793	3.4
143.08553	8.9
145.06485	3.2
145.10135	7.6
147.08080	7.6
147.11749	1.2
149.05978	0.9
149.09647	8.0
153.07024	0.9
155.08580	4.9
156.09390	4.5
157.10147	12.8
158.07303	1.0
159.08020	4.2
159.11678	5.3
161.05992	1.7
161.09608	5.5
163.07530	1.0
163.11224	2.5
165.07034	2.0
166.07719	1.4
167.08498	1.6
168.09383	1.4
169.10135	9.6
169.99290	0.7
170.10947	4.3
171.08052	3.9
171.11707	18.7
172.08949	1.0
173.06029	0.8
173.09648	6.6
173.13229	2.0
175.07526	2.0
175.11259	2.0
177.09160	1.9
178.07837	1.1
179.07100	1.7
179.08597	2.3
180.09351	2.0
181.10138	3.8
182.10910	1.4
183.08139	1.8
183.11716	16.8
184.12447	1.0
185.09650	4.9
185.13274	11.3
187.07544	0.8
187.11226	3.1
189.09082	1.6
191.10675	0.8
192.09271	1.4
193.08603	1.5
193.10144	3.7
195.11739	5.4
196.12358	1.0
197.09660	3.4
197.13263	4.7
198.10350	1.2
199.07697	0.9
199.11169	7.0
200.11925	1.1
201.12798	2.3
203.06972	0.9
203.08774	1.0
203.10736	1.9
205.10211	1.7
205.12138	1.6
206.10858	2.0
207.11729	6.4
208.12415	1.0
209.09784	1.4
209.13281	2.7
211.11206	5.1
213.09256	1.9
213.12764	13.2
214.13351	1.1
215.08701	1.1
215.10657	1.8
217.10143	2.1
217.12183	1.6
218.10951	2.2
219.11719	3.2
220.12517	2.8
221.09653	1.5
221.13344	5.1
223.11198	1.3
223.14851	2.2
225.12778	1.0
227.10674	1.3
229.10156	2.4
229.12276	2.4
230.10823	1.5
231.11710	2.7
231.13895	2.3
232.12460	3.7
233.13225	3.3
233.15343	1.4
234.14091	2.9
235.11224	1.9
235.14836	3.5
237.12810	2.6
237.16525	1.6
239.10794	1.0
239.14389	1.5
241.12334	3.9
242.10960	1.1
242.13203	0.9
243.11713	2.7
243.13870	4.2
244.12538	3.4
245.13249	4.5
245.15450	6.3
246.10478	1.1
246.14105	2.9
247.11223	1.4
247.15102	5.1
248.15616	1.4
249.12732	2.2
249.16505	4.2
251.14400	1.8
255.13899	2.7
256.12512	1.5
257.13290	3.1
258.14160	3.9
259.15097	6.4
260.11841	1.0
260.15707	2.3
261.12747	2.4
261.16547	4.8
262.13495	0.9
263.14410	2.2
263.18149	1.7
269.13153	1.5
270.13962	1.7
271.11053	1.1
271.14758	3.3
272.15588	2.2
273.12430	1.4
273.14551	5.2
273.16870	1.1
274.13470	1.5
275.14359	2.5
275.17838	1.4
276.15182	1.2
277.12534	0.9
277.15881	2.7
279.14050	1.0
285.12747	2.2
285.16397	2.1
286.13715	0.8
286.17279	1.3
287.14368	1.7
287.17957	2.1
289.16125	4.0
291.17377	3.2
293.15552	1.3
298.13635	1.2
299.14383	1.7
300.15033	1.4
301.15878	2.3
303.14218	1.2
303.17426	4.6
305.15771	0.9
305.19043	3.4
313.15857	1.7
315.17532	3.5
316.17960	1.0
317.15543	1.6
317.19049	1.2
319.17001	1.9
319.20319	1.4
321.14896	1.3
321.18369	1.8
323.20016	1.8
325.21884	1.0
327.17609	1.0
329.15405	1.3
329.19086	2.3
331.16986	3.3
333.18439	4.2
337.18005	1.3
341.15628	0.9
343.16956	0.9
345.14786	0.8
345.18646	2.7
347.16379	3.4
347.20114	2.2
349.18152	4.5
351.19485	2.2
355.16739	1.1
357.18454	1.8
359.16434	5.9
361.18057	1.4
363.19736	3.8
365.17404	1.4
365.21286	1.1
367.19043	2.5
369.20468	1.2
373.18088	6.8
375.19626	3.1
377.17392	7.5
379.18713	1.4
379.22922	1.7
389.21158	3.3
391.19147	9.4
393.20624	1.8
395.18362	1.8
401.17487	3.6
403.18570	1.0
405.20676	1.6
407.22311	2.7
409.20047	4.0
419.18576	6.0
421.20120	2.0
423.21573	5.8
433.20099	8.9
437.19678	2.9
441.22601	2.6
451.21201	11.5
469.22324	9.7
473.23486	1.1
533.24829	1.0
591.25806	3.4
681.30286	2.2
739.30603	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	739.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
53.66019	0.6
55.01865	1.9
55.05503	2.7
56.57463	0.5
56.99545	0.6
57.61792	0.5
63.89575	0.5
65.03949	0.5
66.31773	0.7
67.05488	3.8
69.03409	1.3
69.07079	1.1
71.55836	0.9
72.08161	2.8
74.09708	1.2
77.03919	1.6
79.05502	7.7
81.03409	2.7
81.07057	4.4
83.01320	0.5
83.04990	1.7
86.45443	0.5
91.05483	12.1
93.07043	9.7
95.04964	5.6
95.08603	5.0
97.06509	1.0
103.05472	51.3
105.03395	18.4
105.04525	2.4
105.07034	11.3
107.04932	1.8
107.08592	6.8
109.06499	2.1
109.10175	0.8
115.03954	1.0
115.05461	2.6
116.06274	1.0
117.07059	3.7
117.07720	0.6
119.04933	1.6
119.08585	12.3
121.06470	3.2
121.10143	4.8
123.08048	1.8
128.06216	2.7
129.06999	4.0
130.07790	0.9
131.04930	100.0
131.08571	7.2
132.05261	1.3
133.06487	4.6
133.10135	16.6
135.08066	5.5
137.09644	1.0
141.06996	1.7
142.07794	4.8
143.08556	8.4
145.06493	2.5
145.10129	9.3
147.08058	6.5
147.11745	0.7
149.06038	0.8
149.09619	10.4
151.07571	1.9
153.06985	1.6
153.09074	0.7
155.08582	5.5
156.09370	6.5
157.06529	1.2
157.10138	15.6
159.08058	4.8
159.11682	4.0
161.05940	2.1
161.09599	5.0
163.07610	1.4
163.11209	2.6
165.07039	2.0
165.09117	1.0
167.08578	2.5
168.09357	1.7
169.10123	8.6
170.07376	0.6
170.10912	4.4
171.08174	3.1
171.11684	21.4
172.08899	1.1
172.12201	1.0
173.09633	5.7
173.13269	2.3
175.07570	2.7
175.11234	1.4
177.09128	1.0
179.07117	1.0
179.08572	2.2
179.10683	0.6
180.09363	1.1
181.10153	4.1
182.10902	2.0
183.08066	1.5
183.11699	16.3
184.08878	1.2
184.12425	1.4
185.09659	3.3
185.13257	10.8
186.10384	0.6
187.07498	0.7
187.11214	3.2
189.09174	1.0
191.08641	1.0
191.10626	0.7
192.09360	2.1
193.08630	1.6
193.10149	3.5
193.12155	0.6
194.10970	1.2
195.08066	0.8
195.11691	6.4
196.12486	1.0
197.09641	3.1
197.13266	5.1
198.10449	1.7
199.07562	1.3
199.11171	6.7
200.12051	1.5
201.09111	1.7
201.12772	3.1
203.08669	1.0
203.10602	1.3
204.09317	1.0
205.08501	0.7
205.10136	1.7
205.12115	1.2
206.10918	2.1
207.11723	5.9
208.12415	2.1
209.09613	1.8
209.13237	4.0
211.11214	4.5
211.14775	1.4
213.09236	1.5
213.12732	11.8
215.08656	0.9
215.10637	1.5
215.14438	0.7
216.09392	1.1
217.10173	2.6
217.12306	1.5
218.10857	2.1
219.11775	2.8
220.12425	2.9
221.13242	5.8
222.10179	0.9
222.13988	1.4
223.11206	2.8
223.14853	2.0
225.12695	2.1
227.10727	2.0
229.10156	1.6
229.12257	3.0
230.10899	1.8
231.11714	3.4
231.13902	1.8
232.08852	0.7
232.12450	3.1
233.09656	1.2
233.13376	4.4
233.15390	1.1
234.14075	2.8
235.11267	1.5
235.14845	4.4
237.12755	2.4
237.16455	1.2
239.14320	0.9
241.10141	0.9
241.12231	3.1
242.10899	0.9
242.13049	0.8
243.11690	2.9
243.13846	3.8
244.12442	4.0
245.13258	4.9
245.15439	7.3
246.14056	3.0
247.11157	1.2
247.15027	5.7
248.12015	0.9
248.15375	1.3
249.12755	1.4
249.16412	4.8
250.13411	0.6
251.14308	1.7
255.11617	1.5
255.13901	2.7
256.12518	1.7
257.13446	3.8
257.15607	0.8
258.14090	3.8
259.10992	1.0
259.15109	5.6
260.11823	1.0
260.15594	2.7
261.12720	2.4
261.16525	4.1
262.13608	1.4
262.17029	0.7
263.14285	2.2
263.17935	1.9
265.12555	0.8
265.15750	1.6
267.11551	0.9
268.12369	1.3
269.13220	1.2
270.14044	2.1
271.15216	3.3
272.12158	1.1
272.15607	3.0
273.12384	1.1
273.14490	4.2
274.13458	1.1
274.17206	0.9
275.14310	3.4
275.17859	1.7
276.14920	1.1
277.12936	0.8
277.15897	3.6
277.18588	0.6
282.13831	1.1
283.14932	0.6
284.15396	0.9
285.12762	1.6
285.16501	2.5
286.13666	1.3
286.16849	0.8
287.14365	2.3
287.17902	2.7
288.15143	1.3
289.15976	3.3
290.16919	0.8
291.12772	0.9
291.17578	2.9
293.15497	1.5
297.16153	0.8
298.13538	1.1
299.14502	1.4
299.17694	1.3
300.15033	1.9
301.12546	1.0
301.15927	4.1
301.19345	1.1
303.14081	0.7
303.17288	2.9
305.19049	2.5
307.16931	1.2
309.18637	0.9
313.15845	2.3
314.16751	1.0
315.14047	0.9
315.17471	5.8
317.15530	1.3
317.19046	1.8
319.16971	1.8
319.20465	1.0
321.15161	0.9
321.18503	3.1
323.20154	1.7
327.17480	1.4
329.15405	1.1
329.18796	3.0
331.16943	3.1
333.14972	1.0
333.18539	4.7
335.16321	0.9
335.20227	1.2
337.17966	2.3
341.15295	1.3
345.14917	1.0
345.18365	2.8
347.16367	4.4
347.20193	2.8
349.18036	4.9
351.19574	2.5
355.16754	1.9
357.18320	2.0
359.16495	5.3
361.17990	2.3
361.21887	0.8
363.19577	3.3
365.17587	1.3
365.21448	1.3
367.19022	1.7
369.20630	2.2
373.17996	6.3
375.19711	3.8
377.17429	7.1
377.21237	1.0
379.22797	1.6
381.20810	0.8
389.16806	0.9
389.21234	3.4
391.19022	10.0
393.20572	1.2
395.18649	1.9
401.17636	3.2
405.20685	2.0
407.22220	2.7
409.20026	3.9
419.18579	9.0
421.20026	3.3
423.21698	5.9
433.20108	8.1
437.19666	3.5
439.20837	0.7
441.22736	2.8
451.21176	14.0
451.27054	0.5
469.22232	9.2
469.28296	1.0
473.23315	1.2
591.25946	2.9
617.26715	0.8
681.30890	1.4
739.31067	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	738.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
53.20625	1.0
55.01867	1.4
55.05511	7.1
57.03438	10.7
57.07079	26.4
60.08160	1.6
67.05507	17.3
69.03427	2.7
69.07066	8.6
69.52270	1.1
71.08639	20.6
78.65461	1.3
79.05500	9.7
81.03423	62.3
81.07060	17.4
83.04994	3.0
83.08629	19.2
85.10191	14.2
86.09708	5.0
89.06037	1.7
91.05491	12.1
93.07044	7.1
95.04983	16.7
95.08614	17.6
97.02893	2.5
97.06552	2.8
97.10194	5.6
99.08104	1.2
105.07040	9.0
107.04967	4.3
107.08593	3.8
109.06527	1.7
109.10184	6.4
111.08094	5.2
117.07009	1.4
118.48986	1.4
119.04998	1.9
119.08601	9.0
121.06500	2.2
121.10172	5.3
123.11720	4.2
125.00029	3.3
129.07028	6.2
131.08569	5.6
133.06512	2.4
133.10127	3.4
135.11687	1.4
137.09668	1.5
145.10132	2.2
147.04314	1.6
147.11703	5.7
149.09659	4.5
157.10144	6.9
175.11232	6.8
184.07368	17.9
193.12253	19.7
249.14821	2.5
257.24759	2.1
258.86627	1.4
267.15930	100.0
268.16254	1.5
313.27380	92.9
314.27789	1.7
385.75259	1.3
449.22195	1.2
461.32690	1.2
505.38913	75.3
547.39844	2.2
613.41260	1.3
623.28241	4.8
688.45154	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	738.479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.01882	1.8
55.05515	10.2
57.03437	5.5
59.78162	0.8
65.03941	2.9
67.05506	41.1
69.03432	1.4
69.07072	7.2
70.59589	2.0
71.04988	1.8
71.50407	0.8
73.06542	1.1
79.05499	42.3
81.03431	4.8
81.07061	34.6
83.04995	6.6
83.08630	5.8
85.02934	0.9
85.06554	2.0
91.05487	30.4
93.07053	48.9
95.04984	10.5
95.08613	28.7
97.02880	1.6
97.06537	4.0
97.10139	2.2
99.08094	1.0
99.81667	0.9
105.04469	1.0
105.07038	23.5
107.04967	3.3
107.08595	15.7
109.06525	4.6
109.10158	9.4
111.08107	0.9
115.05447	0.9
117.07021	5.9
119.08583	16.0
121.06494	2.1
121.10148	8.4
123.08080	2.4
123.11674	1.2
128.06186	1.2
129.06990	6.6
131.08582	4.6
132.37840	1.0
133.10147	8.9
135.11711	6.4
143.08589	5.5
145.10152	7.5
147.04373	1.0
147.08051	2.4
147.11685	20.4
147.12801	1.4
149.13281	2.7
159.11699	2.3
161.09714	1.3
161.13248	7.1
163.14827	1.0
171.11690	14.7
173.13281	2.2
175.14705	1.2
177.12743	1.0
187.14874	2.3
189.12804	5.6
190.62354	0.8
207.13808	17.6
225.14841	1.1
261.22073	4.6
279.16013	2.2
281.17505	56.4
317.24777	1.6
335.25812	45.1
541.38947	100.0
542.39160	3.4
559.39386	1.7
623.27899	2.2
685.46185	1.3
738.52667	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01866	6.1
55.05515	36.9
57.03426	2.3
67.05506	12.1
69.03434	16.7
70.06602	24.9
71.55171	4.5
79.05501	13.6
81.03396	7.9
81.07053	15.2
82.02947	19.1
83.04987	45.7
85.02885	6.3
86.06069	28.9
87.04451	10.5
91.05488	20.2
93.07047	16.9
95.04958	7.8
95.08601	6.9
97.02919	3.9
97.06490	3.3
97.10177	4.0
98.06063	100.0
103.05474	29.4
104.05798	4.2
105.03397	24.9
105.07024	26.0
107.04900	3.3
107.08630	12.3
109.02873	3.2
109.06541	6.6
109.10110	2.7
111.04437	2.5
115.05416	13.9
116.06255	3.3
117.07023	64.3
119.04892	4.1
119.08577	33.0
121.06495	5.1
121.10145	7.3
122.06012	15.5
123.08035	3.4
124.07584	11.2
128.06250	6.0
129.07034	13.8
131.04936	57.1
131.08582	21.9
132.05301	5.2
133.06447	12.6
133.10141	30.1
135.08005	5.7
141.06973	6.9
142.07784	11.6
143.04926	7.7
143.08588	27.7
144.09129	2.8
145.06512	27.0
145.10138	19.3
147.08092	12.3
147.11679	6.3
149.09639	12.4
150.05498	23.8
152.07030	4.3
153.06992	2.8
155.08568	13.5
156.09358	17.3
157.06506	5.2
157.10135	29.8
159.08075	14.9
159.11661	11.3
161.05974	12.2
161.09697	16.3
163.07460	3.0
163.11252	3.2
165.06976	5.7
166.07771	2.8
167.08557	9.9
168.06589	17.9
168.09338	5.4
169.10123	22.4
170.10939	12.0
171.08060	11.3
171.11699	64.2
172.08873	4.1
173.05972	3.8
173.09593	11.6
173.13287	6.8
175.07617	3.1
175.11176	5.7
177.09103	5.8
179.08513	4.6
180.09291	5.6
181.06630	2.9
181.10106	9.9
183.08083	9.2
183.11708	65.5
184.08830	3.2
185.09682	14.8
185.13254	44.6
187.11171	4.7
189.09143	3.4
189.12740	2.6
190.08463	3.5
191.10680	4.5
193.10191	7.4
195.08128	4.1
195.11690	17.0
197.09631	8.4
197.13252	14.4
198.10408	6.0
199.07532	3.2
199.11211	20.4
200.10757	10.9
201.09157	6.2
201.12749	7.1
202.12260	23.0
203.08759	2.8
203.10689	3.4
204.09248	3.3
205.12262	2.8
206.10701	3.7
207.11678	9.0
209.09573	4.9
209.13271	7.3
211.07440	3.7
211.11208	14.3
213.09041	2.6
213.12767	54.0
214.12456	4.4
217.10249	5.5
217.12154	5.6
218.11804	4.9
219.11649	7.9
220.12344	2.8
221.09576	2.9
221.13249	8.8
223.11111	10.2
225.09201	3.4
225.12727	4.6
227.10716	6.4
227.12831	4.8
228.10173	10.8
229.12282	4.6
230.11803	39.9
231.11722	6.5
231.13753	7.1
232.12312	5.8
233.13283	7.9
234.14078	4.8
235.11182	5.5
235.14748	4.9
237.12740	4.0
237.16280	3.1
241.12196	8.1
242.11780	7.2
243.11856	5.7
243.13956	6.2
244.12752	7.8
245.13164	9.3
245.15402	24.0
246.11145	10.5
246.13878	5.8
247.11192	4.0
247.14833	10.1
248.12878	62.0
248.15466	4.4
249.12738	6.1
249.16382	4.3
255.13927	4.0
256.09793	7.8
256.12674	3.8
257.13425	3.8
258.11343	7.7
258.13965	3.9
259.14880	9.1
260.12720	9.0
260.15399	3.8
261.12674	3.4
261.16409	6.4
268.12860	3.2
269.13254	3.3
270.13907	4.0
271.14917	4.6
272.15692	3.3
273.14703	26.3
274.10693	10.2
274.13474	3.8
275.18076	2.8
276.12314	9.0
277.15869	6.0
282.14261	5.2
283.14902	3.4
284.15710	4.4
285.12756	2.9
285.16379	8.3
286.14044	4.1
286.17270	3.2
287.14310	6.2
287.17819	2.8
291.16553	3.8
297.12979	2.5
297.16364	6.6
298.14172	5.1
299.14456	5.5
299.17831	5.5
300.15384	2.8
301.15778	9.3
301.19131	3.8
303.17194	3.9
310.14273	3.7
311.17896	7.3
312.15207	3.9
313.15985	3.7
314.17157	9.1
315.13727	3.5
315.17484	3.6
317.15369	3.1
319.16974	2.9
321.18570	3.8
324.15091	3.1
327.13657	3.2
327.17340	4.1
329.18863	4.7
332.18494	5.2
333.18628	3.6
339.17334	5.8
343.16940	3.9
357.18280	8.2
360.18011	8.3
367.16797	3.1
371.20532	3.3
385.18082	4.0
403.19040	6.1
416.22235	4.3
418.23801	4.5
421.20279	3.9
428.22406	13.1
430.23972	5.2
432.24969	3.9
440.22226	3.4
442.23779	16.9
444.25098	4.0
446.23343	6.2
452.22147	6.3
458.23343	12.4
460.24753	13.8
470.23215	23.7
478.25604	4.1
488.24429	28.6
490.26001	17.8
502.26053	24.4
506.25348	16.4
520.27002	31.4
538.27618	11.3
576.31409	7.1
588.29358	11.4
602.30988	4.8
606.30383	20.6
620.31812	10.7
621.26721	32.9
624.30945	4.0
638.33020	5.2
677.28717	3.0
678.29486	28.6
679.27173	21.4
688.33990	3.5
703.31067	21.7
706.36005	32.1
720.36829	12.0
738.38641	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	738.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
55.05513	3.9
55.71059	0.8
59.05000	0.7
63.37353	0.8
67.05505	2.8
69.03448	1.3
69.07068	2.3
70.06594	1.7
71.55932	1.5
72.04524	1.1
72.95102	0.7
74.06061	1.0
79.05500	2.6
81.03439	2.5
81.07074	2.4
83.04990	5.2
84.24004	0.7
85.02917	0.9
86.06068	1.1
88.07639	1.0
91.05511	2.8
93.07060	2.4
95.04985	1.2
95.08614	1.5
97.06507	0.8
98.06070	1.8
103.05486	5.9
104.07129	1.5
105.03420	1.9
105.07057	3.6
107.04944	0.9
107.08640	2.3
109.06544	1.6
109.10177	1.3
112.13081	0.8
113.35155	0.8
114.05547	3.0
115.05510	0.8
116.07130	2.7
117.07046	1.9
119.08594	3.8
121.06543	0.9
123.08069	0.9
126.05567	0.9
128.06276	0.9
129.07033	1.5
131.04938	14.4
131.08614	2.4
132.05273	2.7
133.06520	2.2
133.10173	2.9
135.08069	1.6
141.07039	0.7
142.05052	2.2
142.07819	1.5
143.08644	2.8
144.06566	22.7
145.06476	1.3
145.10175	2.4
147.07985	1.1
156.09416	1.7
157.10129	5.5
159.08101	2.2
161.06018	1.6
161.09637	1.4
161.36362	0.8
163.07552	1.2
167.08528	0.9
169.10185	1.7
170.10988	2.7
171.08067	5.7
171.11667	5.3
173.09691	2.4
177.51085	0.9
181.10144	1.5
183.08138	1.0
183.11765	3.7
185.09644	1.7
185.13251	7.0
187.11263	1.3
191.05550	4.2
193.10217	1.3
193.12292	0.9
195.11681	1.7
197.09593	0.9
197.68794	0.8
198.10429	2.7
199.07574	0.9
199.11224	3.5
200.12019	1.3
201.12814	2.2
203.14383	1.3
205.12378	0.9
209.09615	0.8
211.11186	1.2
213.12744	28.8
213.14830	1.6
220.91516	0.7
223.11337	1.3
225.12685	1.1
228.10086	0.8
231.10226	2.6
231.13863	3.2
241.12302	1.7
245.15450	1.1
267.15967	1.9
268.09454	1.3
269.10284	10.8
270.11032	13.8
273.14771	4.7
291.15652	3.7
299.15051	0.9
315.15814	1.4
337.18118	1.1
369.20773	1.5
373.16501	0.8
375.17789	7.3
391.19113	0.9
429.22849	2.3
433.20483	1.0
451.21439	0.9
500.24597	0.9
511.24527	0.9
518.25342	0.9
527.29132	0.9
542.25262	1.2
560.26044	9.8
572.28802	2.9
620.28369	3.1
638.29718	1.9
660.31628	1.9
702.32843	1.8
720.33521	40.4
721.34125	1.8
738.34650	100.0
739.35382	4.8
741.72705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.1
55.01868	1.8
55.05501	2.1
57.03417	0.7
61.30305	0.5
62.37188	0.5
63.50444	0.5
65.03929	0.6
67.05509	5.4
67.08791	0.6
69.03418	1.8
69.07056	2.1
69.21848	3.2
69.22276	2.2
71.04994	1.2
77.03918	1.0
79.05501	6.5
81.03407	1.9
81.07064	6.9
83.04974	1.5
85.02897	1.1
91.05484	5.8
93.07047	6.7
95.04971	5.2
95.08622	4.3
97.02890	0.9
97.06525	1.2
102.04697	0.9
103.05473	49.8
105.03390	3.0
105.04507	1.0
105.07040	9.7
107.04963	2.2
107.08598	5.5
109.06527	2.2
109.10182	2.8
109.89831	0.5
111.04472	1.1
111.08087	1.0
112.47308	0.6
115.05475	1.7
117.07011	3.8
119.04925	0.6
119.08592	9.9
119.09380	1.1
120.08871	0.8
120.58647	0.5
121.06504	2.5
121.10107	2.7
123.08080	1.0
124.76246	0.6
125.09622	0.7
128.06212	1.9
129.06990	2.0
130.07767	0.9
131.04936	100.0
131.08583	5.1
132.05298	2.3
133.06546	2.7
133.10143	11.0
133.11111	0.4
135.08069	2.2
135.11740	0.6
137.05978	0.6
137.09671	0.6
141.07007	2.2
142.01913	0.6
142.07797	2.2
143.08557	5.0
145.06560	3.3
145.10153	6.4
147.08073	3.6
147.11696	2.4
149.06108	0.7
149.09613	2.5
154.07784	0.7
155.08618	3.0
156.09341	2.1
157.06445	0.8
157.10129	8.0
159.08064	3.6
159.11690	4.5
161.09590	4.0
163.07526	1.1
163.11255	0.7
165.07074	1.5
167.08586	2.3
169.10139	5.7
170.10921	1.7
171.08055	2.5
171.11708	7.0
173.06139	0.8
173.09634	3.3
173.13278	2.1
175.11221	2.2
177.09131	1.8
178.07788	0.8
179.08553	2.0
180.09413	1.0
181.10179	2.3
182.10934	0.9
183.08125	1.6
183.11711	6.3
184.08737	0.8
185.09616	3.1
185.13268	4.0
186.10301	0.6
187.07573	1.7
187.11198	2.2
187.14853	0.7
189.09097	1.3
189.12822	1.0
192.09364	0.9
193.10168	2.9
194.10884	1.1
194.98413	0.6
195.08073	1.1
195.11719	5.8
196.08835	0.8
197.09599	2.1
197.13342	3.7
198.10405	1.5
199.11189	4.5
200.11832	0.9
201.09181	1.1
201.12767	2.4
205.10127	1.5
206.10939	1.9
207.08139	0.6
207.11693	4.0
208.12427	0.9
209.09686	1.4
209.13316	2.8
211.07664	0.7
211.11215	2.5
211.14897	0.8
213.12756	4.9
215.08611	0.6
215.14316	1.0
216.09406	0.6
217.10252	1.5
217.12215	0.7
218.10965	1.1
219.11737	2.4
220.12531	1.2
221.13205	3.4
222.10353	0.8
222.13885	0.7
223.11192	2.8
223.14854	1.5
225.09157	0.7
225.12720	1.9
227.10719	0.7
227.14366	0.8
229.10269	0.8
229.12294	1.7
230.10889	0.9
231.11694	2.1
231.13751	0.9
232.12509	1.8
233.13333	2.8
235.11133	1.1
235.14793	3.0
236.12074	1.1
237.12741	1.2
237.16368	1.1
239.14317	1.0
241.10156	0.9
241.12314	0.7
242.10869	1.0
243.11690	1.6
243.13936	1.4
244.12515	1.0
245.13409	2.8
246.14143	0.9
247.11176	1.2
247.14798	3.7
248.15686	0.7
249.12761	1.9
249.16454	2.1
251.14380	1.9
253.15981	1.0
257.13293	2.2
258.14124	1.6
258.72861	0.7
259.14896	2.4
260.12405	0.7
260.15518	1.2
261.12732	1.5
261.16440	2.1
262.13541	1.1
263.14340	3.9
263.17999	1.1
265.12277	0.6
265.15875	1.4
271.14899	1.1
272.15686	1.9
273.12744	1.5
273.16351	0.8
275.14221	1.7
275.17932	1.8
277.15878	1.9
277.19571	3.1
279.14145	0.6
279.17426	1.7
281.19168	0.8
285.16779	0.7
286.13657	0.7
287.14740	0.8
287.17911	2.9
288.15015	0.7
289.15793	1.3
290.16583	1.1
291.17368	2.8
293.19009	2.2
295.20724	1.6
301.16064	1.1
303.14011	0.6
303.17548	2.0
305.15585	1.1
305.18976	7.5
315.17340	1.1
321.15308	0.7
321.18417	3.6
323.20114	5.9
329.19055	0.6
331.16925	0.9
333.18707	1.2
339.19708	1.8
341.21606	1.0
345.18466	1.2
347.16614	0.9
357.18323	0.9
359.20087	2.4
361.18066	1.6
363.19653	1.1
369.18683	1.9
375.19601	2.2
377.21149	2.3
379.18985	1.5
381.17056	1.4
387.19452	5.0
393.20615	2.1
395.22253	0.7
399.17758	0.7
405.20633	10.1
406.21262	1.2
423.21716	8.1
441.22748	3.1
487.24585	1.3
517.34888	0.8
543.37445	1.3
571.27014	2.4
589.28241	1.0
607.25653	0.8
628.51611	0.7
677.30438	0.6
737.33978	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	737.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.05513	3.8
62.40115	0.4
67.05511	1.7
69.03422	0.8
69.07075	1.3
79.05497	1.4
81.03426	1.1
81.07066	1.7
81.67622	0.4
83.04990	3.3
91.05481	1.8
93.07047	2.1
95.04974	1.3
95.08627	1.2
97.02909	0.4
103.05482	1.8
105.07040	2.8
107.04989	1.0
107.08578	1.0
109.06528	0.9
117.07020	0.9
119.08583	3.3
120.96159	0.4
121.10165	0.8
122.13825	0.4
123.08083	0.6
128.06216	0.6
129.07022	0.7
131.04939	3.3
131.08600	1.7
133.06511	1.1
133.10162	1.6
135.08055	0.9
142.07773	1.0
143.08551	2.9
145.06503	1.7
145.10135	2.3
147.08037	0.8
149.09642	0.7
155.08591	0.9
156.09363	1.4
157.10143	3.7
159.08087	1.6
159.11719	1.2
161.09650	0.8
163.07497	0.5
165.07011	0.6
167.08566	0.5
169.10133	1.0
170.10905	1.4
171.08076	3.2
171.11688	5.8
173.09669	2.0
179.08484	0.6
181.10129	0.8
183.08018	0.7
183.11684	2.2
184.08783	0.5
185.09650	1.6
185.13239	4.6
188.07898	0.5
195.11731	0.9
197.13193	0.8
198.10463	1.6
199.07448	0.5
199.09587	0.7
199.11127	3.4
201.12798	1.1
203.10870	0.6
213.12750	19.7
221.13351	0.6
227.10710	0.6
231.10211	1.8
231.13853	1.0
241.12341	0.8
245.15509	0.7
255.13919	0.5
273.14969	4.2
273.17642	0.6
280.33749	0.5
297.14767	1.0
328.94727	0.5
331.16962	0.5
355.15332	0.8
357.16867	1.7
381.16830	1.0
417.18927	5.3
439.18671	0.7
455.20297	0.7
457.20749	2.1
515.23438	0.6
517.22180	0.6
557.25299	1.1
572.61926	0.6
599.26343	1.0
617.27045	4.3
659.28711	1.1
677.29321	100.0
678.29303	4.4
705.32178	0.7
737.32043	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.9
58.88601	1.6
62.62617	1.7
67.05497	5.0
69.07072	2.2
71.65912	1.5
79.05487	3.7
80.07870	1.6
81.03433	2.5
81.07053	2.3
83.04979	5.3
91.05497	6.1
93.07064	2.4
95.08608	2.7
98.97563	2.1
103.05461	6.2
105.03420	2.1
105.07008	5.8
107.08580	1.8
117.07030	2.6
119.08590	6.0
121.06480	2.6
128.06209	2.5
131.04971	8.8
131.08583	3.0
132.05179	2.1
133.10123	4.1
143.08624	4.2
145.06479	2.2
145.10143	4.3
147.08058	4.0
157.10144	4.2
159.08075	2.6
161.09592	2.0
163.07477	3.9
169.10193	3.2
171.08093	2.5
171.11646	4.6
173.09560	3.7
183.11737	6.4
185.09688	2.0
185.13271	3.2
199.11232	2.9
213.12740	2.7
273.14935	1.8
543.36548	3.1
635.25165	9.8
677.27240	100.0
678.27771	2.5
695.27795	4.2
737.27307	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	737.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.9
55.01869	2.8
55.05524	4.3
56.88749	0.6
57.07081	0.7
61.02924	1.1
65.03952	0.8
67.05513	5.7
67.90239	0.7
69.03426	1.8
69.07072	2.2
69.23495	6.2
72.20750	0.6
77.03941	2.6
79.05501	9.4
81.03427	3.9
81.07061	8.1
83.01400	0.7
83.04999	1.8
83.08610	1.0
85.02925	2.0
85.06575	0.7
91.05494	9.2
93.07056	8.1
95.04982	10.9
95.08618	5.9
97.02907	2.3
97.06561	1.3
97.10190	1.3
102.04709	0.8
103.05481	53.6
105.03404	39.1
105.04140	1.2
105.04539	2.6
105.07046	11.6
107.04961	2.7
107.08588	5.5
109.06525	3.6
109.10168	1.8
111.04443	1.2
115.05463	3.0
116.06243	0.9
117.07042	6.3
119.04952	1.5
119.08600	12.5
121.06528	3.5
121.10157	3.1
123.04420	1.5
123.08080	1.4
125.09637	1.4
128.06229	2.6
129.07054	3.5
131.04942	100.0
131.08594	7.0
132.05261	2.0
133.06505	4.3
133.10165	4.6
135.08046	4.6
141.07011	2.2
142.07773	3.8
143.08582	7.3
144.09331	1.2
145.06526	2.9
145.10135	5.6
147.08029	3.8
147.11702	1.2
149.06079	0.8
149.09625	6.1
151.03876	0.8
151.07626	1.2
153.07037	1.4
154.07805	0.8
155.08540	4.2
156.09369	4.1
157.10144	17.7
159.08087	3.4
159.11713	7.8
161.06013	1.9
161.09656	2.3
163.07581	1.7
163.11227	1.3
165.06989	1.5
165.09171	0.7
167.08568	1.7
168.09402	1.2
169.04984	1.2
169.06378	0.7
169.10132	9.7
170.10962	1.3
171.08064	1.6
171.11716	14.4
173.09639	2.8
173.13274	4.0
175.07562	2.2
175.11203	1.9
177.09129	6.6
179.07112	1.4
179.08643	1.9
180.09360	1.2
181.10165	3.3
182.10847	1.1
183.08025	0.9
183.11705	14.4
185.09688	3.2
185.13312	5.7
187.11208	2.8
187.14906	1.0
189.09113	1.0
191.10687	1.0
192.09402	1.0
193.08554	1.7
193.10176	3.2
193.12285	0.7
194.10927	1.3
195.08104	1.4
195.11742	5.4
196.70166	0.7
197.09645	2.4
197.13280	4.1
197.14815	0.7
199.11215	3.1
201.12762	2.1
204.09366	1.3
205.10286	1.2
205.12320	0.9
206.10997	2.1
207.06522	1.0
207.11736	4.7
208.12437	1.3
209.09686	2.0
209.13353	4.2
211.11226	2.2
211.14935	1.3
213.09151	1.1
213.12836	2.6
215.08737	0.9
215.10747	2.0
217.10170	1.9
218.10977	1.3
219.11754	2.7
220.12480	2.1
221.09688	0.9
221.13283	4.7
222.10329	0.7
223.11263	2.0
223.14861	3.4
227.10703	1.4
229.10162	1.6
229.12347	3.0
230.10835	1.8
231.11705	3.6
231.13902	2.2
232.12520	3.5
233.13306	3.6
233.15388	1.7
234.13948	1.1
235.11107	0.9
235.14816	2.6
236.15524	0.9
237.12770	1.6
239.14383	0.8
241.12257	1.5
243.11752	2.5
243.13914	1.7
244.12450	1.6
245.09564	1.2
245.13570	3.4
245.15501	1.6
246.14076	1.9
247.14928	5.7
248.15631	1.0
249.12849	1.2
249.16432	2.3
251.14296	1.6
253.10121	0.9
255.13812	1.1
256.12491	1.0
257.13229	2.1
258.14133	2.1
259.11166	0.8
259.15060	3.2
261.12726	1.6
261.16608	4.4
262.13806	0.8
262.17218	0.8
263.10706	0.9
263.14249	1.5
263.17920	1.0
265.16037	0.9
270.14041	1.1
271.14792	1.3
272.15570	0.9
273.12665	1.6
273.16348	2.1
275.14334	2.2
275.17694	1.2
276.15201	1.0
277.12244	1.0
277.15958	1.0
279.17471	1.0
283.14777	1.6
285.12787	1.4
287.14499	1.4
289.12253	1.0
289.15848	2.7
291.17249	1.4
293.15369	0.9
297.16452	0.8
299.14206	1.2
300.14938	0.8
301.15936	2.9
303.14081	1.2
303.17538	2.6
305.15369	1.8
305.18811	0.8
307.16934	2.7
315.17358	1.9
317.15479	1.4
317.18933	1.2
319.17050	3.6
321.15198	0.8
321.18552	3.0
329.15463	2.1
331.16983	2.1
333.18549	2.2
335.16446	1.1
337.17917	1.2
339.19754	0.9
343.17004	3.7
345.18390	1.3
347.16550	5.6
349.17963	2.7
357.18524	0.9
359.16245	0.7
361.18091	4.9
363.15732	0.9
363.19681	1.7
365.17444	3.6
367.19180	1.0
371.16617	2.0
375.19504	1.7
377.21338	1.4
379.18945	4.1
381.20062	0.7
389.17413	4.1
391.19058	1.2
393.16653	1.2
393.21078	0.9
403.19092	1.2
405.20865	1.0
407.18332	5.7
417.16989	1.7
421.19995	4.4
423.21716	1.4
435.18063	2.6
439.21265	7.9
449.19110	3.8
450.19846	0.8
467.20642	6.9
517.35211	1.2
525.35846	4.3
543.36829	5.2
557.38171	1.0
575.39856	1.5
624.28888	0.9
737.33124	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	736.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88819	1.4
53.03931	6.5
55.01843	1.8
55.05516	22.1
57.03429	6.7
57.07055	1.8
59.04993	1.5
65.03936	4.6
67.05509	91.7
68.64948	1.5
69.07072	19.8
69.52225	6.2
69.52652	3.9
70.06597	2.3
71.04993	8.5
79.05499	71.9
81.07060	100.0
83.04971	3.2
83.08616	13.0
85.06532	3.4
86.96383	1.6
91.05485	80.7
93.07047	74.5
95.04953	5.9
95.08609	70.5
97.06557	8.2
97.10149	6.4
98.45111	1.3
99.08090	2.4
101.81511	1.4
103.05447	1.9
105.07029	40.9
107.04968	2.6
107.08600	37.6
108.63418	1.5
109.06535	4.0
109.10161	27.2
111.08073	4.0
115.05448	2.9
116.07088	2.5
117.05524	3.0
117.07021	38.4
119.08586	30.2
121.10150	46.5
123.08053	4.2
123.11710	6.7
125.09615	3.1
128.06224	1.7
128.09088	1.4
129.06999	8.9
131.08572	41.4
133.10135	23.5
135.08008	1.7
135.11696	19.2
137.13239	2.4
141.07033	4.4
143.08559	8.4
145.10141	24.1
147.11702	16.1
149.09644	3.0
149.13245	10.8
151.11192	2.1
155.08536	1.9
157.10098	8.3
159.11691	15.2
161.13254	9.4
163.11211	3.1
163.14813	3.0
169.10098	3.7
171.11742	8.2
173.13264	10.5
175.14958	3.3
177.12817	2.2
179.14252	2.8
183.11693	3.6
185.13255	1.9
187.14944	2.2
187.85378	1.5
191.14128	1.4
197.13264	2.1
201.16342	2.4
205.15887	1.4
211.14827	2.4
213.16464	1.7
229.19626	1.5
239.18013	9.0
243.21069	5.7
257.19028	24.5
259.20584	2.7
261.22171	13.4
275.20032	15.7
279.23190	5.0
303.23175	2.4
313.21539	2.6
321.24423	14.7
322.24548	1.7
331.22665	27.6
333.24139	2.4
335.25952	4.7
349.23672	9.8
361.46515	1.7
363.25229	2.1
377.26935	2.5
381.26373	12.4
385.99841	1.7
395.27924	49.7
396.28107	1.7
609.44513	3.6
643.45770	41.1
644.45880	1.8
651.46143	10.0
657.47186	2.7
669.47217	25.6
701.49939	29.8
702.50366	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	736.369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88266	1.1
53.03945	6.5
55.01865	3.4
55.05515	8.9
60.46878	1.3
62.54316	1.2
67.05507	7.6
68.50320	1.5
69.03424	6.6
69.07054	3.6
79.05498	10.5
81.03425	6.6
81.07072	6.5
83.04984	16.2
85.02885	4.7
87.00839	1.8
91.05482	14.0
93.07035	8.7
95.04990	11.7
95.08617	3.9
97.02874	3.3
97.06556	2.3
103.04794	2.8
103.05473	52.4
104.05800	6.1
105.03398	50.5
105.04507	3.2
105.07034	13.7
106.07375	1.6
107.04939	3.1
107.08585	7.1
109.02905	2.4
109.06496	5.6
109.10133	4.0
114.49618	1.3
115.05451	4.5
117.07044	8.7
119.04937	2.7
119.08598	13.0
121.06481	3.9
121.10117	3.4
123.04467	1.3
123.08083	1.9
127.03886	2.0
128.06213	5.0
129.06996	4.8
131.04935	100.0
131.08592	8.1
132.05258	14.2
133.05530	2.6
133.06490	5.3
133.10118	12.7
135.08028	5.8
137.06013	2.7
137.09651	1.6
141.06905	2.0
142.07741	4.4
143.08565	10.5
144.08978	1.9
145.06461	6.5
145.10123	8.7
145.35399	1.3
147.08058	6.3
147.11693	2.9
149.05998	1.9
149.09601	6.0
153.07065	2.3
155.08502	3.1
156.09373	6.5
157.10129	13.3
159.02837	1.3
159.08029	7.3
159.11739	6.9
160.08440	1.4
161.06015	10.0
161.09607	5.9
162.06346	2.8
163.07590	6.6
163.11220	2.9
165.07042	2.6
167.08559	2.6
168.09259	1.7
169.10144	10.5
170.10883	5.3
171.08047	6.2
171.11690	17.1
172.08678	1.4
172.12276	1.4
173.05981	2.3
173.09650	7.9
173.13266	3.5
175.07510	3.5
177.09122	3.7
179.07126	1.7
179.08609	2.5
181.10182	4.3
183.08051	3.9
183.11699	28.0
184.12190	1.4
184.80617	1.5
185.09579	6.3
185.13264	15.5
187.07584	3.1
187.11145	3.5
189.05431	2.2
189.09079	4.8
189.12694	1.5
191.10699	1.7
193.10089	3.6
195.08115	1.5
195.11690	6.7
197.09598	4.4
197.13213	5.8
198.10283	4.4
199.07457	1.5
199.11176	7.7
200.11732	3.2
201.09180	2.8
201.12717	4.4
205.10214	1.9
205.12204	3.1
207.11734	3.7
209.09627	2.9
209.13313	2.3
211.11201	8.5
211.14676	1.6
213.09091	3.5
213.12772	26.1
215.10703	2.5
218.10867	2.1
219.11752	2.5
221.13254	4.5
223.11253	2.4
223.14845	1.7
225.09048	3.1
225.12663	2.2
226.09544	1.9
227.10555	1.5
229.12236	1.9
230.10904	2.2
231.09924	1.6
231.11835	2.6
231.13838	4.7
232.12399	1.8
233.13191	4.9
234.14046	2.1
235.14867	2.1
237.12787	3.2
237.16478	1.6
239.14177	1.4
241.12222	5.4
243.11772	1.6
243.13885	3.2
245.13214	2.4
245.15334	5.4
246.10623	1.4
246.13821	2.6
247.14786	1.6
248.12050	2.3
249.12785	1.7
249.16479	2.1
255.13837	2.7
256.12476	1.8
257.13254	2.7
258.08215	1.5
258.14041	2.4
259.15088	1.7
263.14209	2.2
264.25388	1.3
268.12439	1.6
270.10361	1.4
270.13620	1.6
271.14612	1.3
272.11935	1.4
272.15463	2.1
273.12424	1.2
273.14862	20.4
275.12808	3.0
282.13660	1.3
286.13715	1.4
287.14215	2.4
287.18097	1.4
291.16037	2.4
299.14169	1.5
300.14853	1.8
305.21124	2.1
313.15558	1.7
313.21683	4.8
315.13797	2.1
315.17456	2.4
319.16873	2.0
331.16934	4.5
331.22699	8.1
333.14691	1.8
333.18469	3.0
343.17065	6.5
347.19901	2.3
349.17941	2.5
351.19421	2.4
357.18454	6.0
359.16806	1.5
361.17987	5.9
373.18118	2.6
375.19516	6.8
379.19131	1.5
385.17874	4.0
391.19162	2.1
399.19208	1.6
401.17453	1.6
403.19077	9.1
405.20575	3.5
417.20602	9.1
419.18518	3.1
421.19980	4.8
435.21228	24.3
438.19800	1.3
453.22601	9.6
459.34052	1.4
535.26575	6.3
542.94366	1.4
553.27618	2.3
570.22559	1.5
677.29297	2.0
683.31903	7.5
691.63940	1.8
701.32361	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	736.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59738	1.8
53.03947	5.5
55.01861	4.1
55.05513	6.2
67.05503	6.4
67.29456	2.0
69.03429	10.4
70.06596	25.1
79.05489	8.1
80.05096	2.1
80.24429	1.9
81.03398	3.1
81.07057	9.0
82.02950	15.1
83.01349	4.9
83.04980	6.4
86.06075	29.8
87.04488	13.8
91.05492	12.8
93.07056	8.9
94.06538	3.5
94.15191	1.9
95.04966	9.1
95.08609	3.3
96.04469	2.2
96.08106	2.7
97.06527	2.6
98.06063	100.0
98.21557	3.8
103.05479	8.3
105.03398	39.8
105.07017	13.7
106.31740	2.1
107.04949	2.8
107.08599	8.1
109.06551	4.4
109.10194	3.2
115.05452	10.8
117.07027	59.4
119.08590	25.2
121.06507	2.5
121.10169	2.4
122.06020	16.0
123.04426	2.0
124.07626	15.2
124.27425	2.0
128.06195	3.5
129.07011	17.9
131.04938	6.3
131.08569	18.0
133.06483	5.9
133.10117	7.0
135.08089	2.7
140.07060	4.1
141.06966	6.0
142.07799	7.4
143.04939	3.0
143.08562	17.3
144.09293	4.3
145.06497	22.5
145.10098	13.4
146.09677	3.2
147.08049	6.6
147.11664	3.7
149.09628	6.0
150.05505	20.8
150.09071	2.4
152.07066	3.3
153.07060	2.7
154.07773	2.4
155.08607	9.3
156.09331	7.2
157.06458	5.2
157.10132	32.6
159.08051	9.3
159.11700	23.4
161.05875	3.8
161.09618	6.2
165.07077	2.4
167.08591	12.9
168.06575	21.1
168.09351	5.4
169.10139	20.4
170.10936	3.1
171.08118	6.3
171.11668	26.2
173.05971	3.0
173.09685	10.5
173.13243	10.4
175.11179	2.6
176.07072	2.2
178.07809	2.8
179.08585	3.5
181.10107	7.0
183.08060	4.2
183.11700	39.9
185.09624	10.3
185.13269	8.6
187.07578	2.4
187.11186	14.6
192.09315	4.1
193.10143	10.6
195.08002	2.2
195.11748	7.6
197.09651	11.5
199.07259	2.2
199.11183	12.5
200.10747	8.8
201.12808	12.5
202.12267	25.1
206.10881	2.9
207.11702	7.6
209.09621	4.7
209.13255	5.5
211.11194	13.5
212.10692	2.5
213.09065	2.5
213.12825	4.9
214.12297	11.9
215.10663	3.8
217.10129	5.3
218.11357	2.6
219.11957	4.2
220.12389	2.9
221.09683	3.3
221.13243	6.6
223.11174	4.3
225.12762	2.4
228.10234	10.5
229.10158	3.8
229.12379	9.5
229.14240	2.4
230.11789	33.9
231.11725	7.2
231.13750	2.7
232.12468	11.9
233.09627	3.8
233.13214	10.9
233.15424	7.5
234.13988	4.4
235.11205	3.8
235.14787	2.9
237.12662	3.4
241.10176	3.8
242.11678	7.4
243.11676	5.1
243.13960	5.7
244.12712	4.4
245.13197	7.5
245.15457	4.1
246.11140	12.1
246.14098	6.5
247.11229	4.9
247.14903	17.7
248.12875	51.5
248.15370	3.9
249.12769	5.8
249.16512	3.9
251.14340	2.9
255.11749	7.7
256.09769	4.5
256.12585	4.1
257.13281	6.7
258.11243	6.0
258.13876	4.2
259.11075	4.9
259.14795	4.4
260.12885	13.0
261.12656	3.0
261.16754	9.3
267.11700	2.4
268.12711	2.7
269.10226	1.9
269.13223	8.6
270.10495	2.8
270.14142	4.4
271.14951	4.4
272.12180	2.6
272.15598	3.1
273.12592	4.4
273.16302	2.9
274.10730	9.1
274.13339	3.4
275.14264	9.1
276.12225	6.2
277.12036	2.6
280.13354	5.3
282.14221	2.3
283.11493	4.0
283.14783	6.4
285.12820	4.5
285.16388	12.1
287.14319	5.9
287.17651	3.2
289.15768	11.5
290.16592	3.3
291.17551	3.7
297.12808	3.9
297.16171	3.9
298.13882	4.6
299.14352	5.4
299.17926	7.0
300.15219	3.6
301.15887	3.7
301.19470	2.5
303.14001	2.5
303.17453	3.9
309.16089	2.9
311.17978	2.3
312.15121	2.3
313.15881	7.3
315.17404	2.3
317.15399	3.4
321.18469	2.2
327.17599	12.0
329.15469	2.8
329.19199	4.3
331.17044	2.4
345.18448	3.1
349.17633	2.3
355.16971	8.3
359.19876	3.0
369.18585	2.7
373.17737	3.2
387.19363	5.7
398.21127	3.7
412.23004	4.3
416.22183	8.3
418.24197	4.9
430.24124	10.4
440.22037	17.1
442.23941	4.5
444.21127	2.8
448.24854	2.2
458.23312	36.1
460.24747	7.6
468.21771	9.6
470.21802	2.1
472.24881	12.5
476.24493	12.4
486.22702	19.3
490.26071	23.8
500.24310	10.0
504.23837	37.5
508.26859	7.1
518.25470	24.4
522.24878	9.4
536.26508	29.9
554.27594	23.8
564.25647	2.8
582.26929	7.0
614.30188	2.7
626.27161	7.8
640.29089	3.5
658.29688	8.8
665.24927	2.3
676.31323	16.0
686.29407	4.8
704.30609	10.6
718.32062	9.8
736.33356	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	736.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89703	2.3
52.12026	2.1
53.03947	4.8
55.05505	4.4
56.94518	2.1
60.63477	2.4
67.05498	9.3
69.03422	10.3
69.07043	2.1
70.06597	16.8
71.04987	2.3
71.20003	4.2
74.09724	23.7
74.45770	2.1
79.05482	9.0
81.03429	3.3
81.07046	8.4
82.02923	3.4
83.05008	10.8
83.05404	2.1
84.04508	3.3
84.08127	7.9
86.06071	23.6
87.04448	6.2
91.05465	17.7
93.07048	10.4
95.04981	17.7
95.08615	4.5
96.08140	3.0
97.06541	3.4
98.06065	59.2
103.05467	14.3
104.07115	2.6
105.03401	51.9
105.04482	4.1
105.07037	21.5
107.04951	4.0
107.08611	10.6
109.06488	5.4
112.07619	2.3
115.05442	6.7
116.06284	2.9
117.07020	17.7
119.04963	2.5
119.08579	31.9
120.08085	2.2
121.06516	6.4
122.06054	5.6
123.08059	6.1
124.07608	13.2
128.06239	5.2
129.07021	8.2
130.08675	11.3
130.15871	4.6
131.04941	29.9
131.08569	12.2
132.05257	4.6
133.06494	7.4
133.10127	11.6
135.08018	11.5
141.07040	2.4
142.07803	6.0
143.08591	19.5
144.05710	3.2
145.06477	22.3
145.10141	19.5
147.08041	13.7
149.05974	2.4
149.09605	10.3
152.07076	4.3
153.06961	3.8
154.07709	3.0
155.08542	10.2
156.09338	7.5
157.10159	31.7
159.08073	18.2
159.11694	16.7
161.05988	6.5
161.09673	6.1
162.09171	10.3
163.07530	2.6
167.08571	3.2
168.06544	7.5
168.09355	6.9
169.10135	17.9
170.10899	12.6
171.08044	8.3
171.11710	29.7
172.08801	3.9
173.05954	8.8
173.09628	17.4
173.13344	3.9
175.11107	3.2
177.09116	2.5
179.08604	5.4
180.09312	4.2
181.10097	5.9
183.08156	3.1
183.11719	100.0
184.12225	6.3
185.09668	13.6
185.13271	9.3
187.07632	4.1
187.11247	10.8
188.10722	3.3
193.10164	7.2
195.08040	2.6
195.11711	7.0
196.08727	2.6
197.09630	9.3
197.13293	5.6
199.07458	4.0
199.11218	15.8
200.10663	4.9
201.09142	7.0
201.12720	10.6
202.12283	18.6
203.10698	4.0
206.10814	2.4
207.11797	10.5
208.12387	3.8
209.09653	4.3
209.13293	6.7
211.11227	14.6
213.09096	6.9
213.12767	10.4
214.12288	5.4
215.10698	4.1
217.10178	4.3
217.12274	2.5
219.11694	5.6
221.13272	9.4
222.14024	2.8
223.14844	4.5
225.12746	4.6
227.10594	4.0
228.10335	3.0
229.12257	8.3
230.11699	12.0
231.11723	6.6
231.13799	3.9
232.12468	6.3
233.13272	7.2
235.11203	5.7
235.14847	7.2
237.12798	5.0
237.16420	15.1
239.14371	2.9
242.11664	4.9
243.13876	7.2
244.12886	2.3
245.13457	3.2
246.11212	3.6
246.14079	7.1
247.11201	6.4
247.15009	14.3
248.12949	22.1
248.15356	4.8
249.12689	5.9
251.14354	4.0
251.18069	3.6
255.11610	3.5
256.12534	3.3
257.13403	3.8
258.11307	3.1
258.14136	3.6
259.14865	2.9
260.12424	3.6
261.12744	3.2
261.16580	12.6
262.14243	6.8
263.14313	6.7
263.17795	2.0
264.12122	2.5
265.15854	15.0
267.13739	3.5
270.14120	6.9
271.14987	5.1
279.17480	9.8
285.12674	2.2
285.16406	7.6
286.14023	5.6
287.14255	4.7
289.15936	3.9
291.13623	2.4
293.15280	5.2
297.12589	3.4
298.13730	4.1
299.14407	3.7
299.17902	5.4
303.17365	4.3
307.16977	14.4
312.14792	2.7
313.12576	2.5
313.15784	13.1
317.15311	3.4
317.18994	5.8
321.18533	5.2
327.17496	14.6
329.19147	4.5
331.16891	4.4
335.16461	3.4
339.19614	5.9
345.18372	3.2
353.17349	2.4
355.16922	7.2
367.18961	4.2
370.21252	2.7
373.17804	5.7
385.20084	2.3
387.19730	5.2
398.21054	2.8
405.20773	3.7
412.22626	5.0
416.22083	4.0
426.20139	3.2
428.37415	2.7
430.23874	4.5
434.23441	2.8
440.22128	4.7
451.21152	3.0
458.23218	12.0
463.22940	2.5
464.96509	2.3
468.21704	3.1
472.24890	3.8
476.24368	12.8
486.22552	7.7
490.26224	17.1
500.24341	3.0
504.23849	8.9
508.26944	21.2
518.25330	14.2
522.24872	6.8
526.27936	9.1
536.26453	38.6
554.27563	46.0
567.25629	4.5
586.30225	4.2
588.27740	5.4
596.28485	8.8
614.29614	34.5
658.29907	9.2
676.31122	15.5
718.32294	10.6
736.33325	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	735.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.05262	3.8
55.05515	49.7
61.69677	1.7
67.05503	7.9
69.03431	3.0
69.07064	2.5
69.32157	3.8
69.32565	12.5
72.46144	1.8
75.04491	2.7
79.05499	9.8
81.03409	4.1
81.07059	21.5
81.98546	1.9
83.04987	100.0
85.39478	1.7
91.05482	15.4
93.07053	16.6
95.04981	6.9
95.08617	30.9
97.02920	2.6
102.39038	1.8
103.05474	23.6
105.04488	2.3
105.07030	23.7
107.04930	5.5
107.08624	14.5
109.06531	17.1
109.10163	3.6
115.05466	7.2
117.07001	6.7
117.11851	1.7
117.68685	1.8
119.04972	4.0
119.08588	17.8
121.06525	3.3
121.10157	3.1
123.04477	2.0
128.06232	3.9
129.07024	4.7
129.90092	2.2
130.07838	2.0
131.04935	57.4
131.08574	16.9
132.05327	2.1
133.06487	12.4
133.10129	12.9
135.08058	5.5
137.06007	2.0
141.06961	4.2
142.07805	3.3
143.08525	12.9
145.06487	7.4
145.10120	16.8
147.08070	6.3
149.05940	2.5
149.09624	6.2
155.08553	9.4
156.09352	12.0
157.10156	30.4
159.08090	9.6
159.11668	9.4
161.06012	26.5
161.09634	8.2
163.07542	4.0
163.11227	6.9
165.06993	3.3
165.09140	2.7
167.08575	3.1
169.10147	25.0
170.10916	7.6
171.08055	6.7
171.11705	60.1
173.06079	2.2
173.09625	15.1
175.07555	3.1
175.11169	4.3
177.09067	3.9
179.08560	4.8
180.09283	3.5
181.10094	11.5
182.10910	4.9
183.08058	5.2
183.11697	40.9
184.12421	2.6
185.09657	8.4
185.13271	38.1
187.11215	7.0
189.09079	2.0
191.08665	2.1
191.10703	3.5
192.09300	2.7
193.10159	7.6
193.12161	2.3
194.10869	4.5
195.11697	12.3
195.35995	1.9
196.08858	4.0
196.12595	2.6
197.09630	10.5
197.13284	11.0
198.10370	2.5
199.02847	2.5
199.11197	14.6
199.12758	3.0
201.09132	5.1
201.12759	4.4
203.08626	3.4
203.10596	2.4
204.09334	2.4
205.10390	3.5
205.12338	6.0
206.10960	3.9
207.11699	11.8
208.12476	2.1
209.09879	3.7
209.13240	11.8
211.11189	11.2
211.14819	2.2
213.12746	23.5
215.10712	3.6
217.10156	4.7
217.12204	4.3
218.10866	4.2
219.11821	9.3
220.12524	6.9
221.13248	13.7
222.13977	2.6
223.11241	7.2
223.14857	7.9
225.09131	2.3
225.12643	2.6
227.10681	4.1
229.12323	8.2
230.10751	2.6
231.11702	11.9
231.13832	6.3
232.12473	6.4
233.13365	12.8
234.14043	3.2
235.11143	3.3
235.14816	9.4
236.15504	4.4
237.12720	6.0
237.16483	5.1
239.14397	2.9
241.12288	6.6
243.13895	12.4
244.12309	2.6
245.13214	7.2
245.15384	26.0
246.14017	13.9
247.11343	2.6
247.14833	13.6
248.15704	2.6
249.12788	4.6
249.16463	7.5
251.14288	5.3
251.17921	16.9
255.13954	2.6
257.11533	12.0
257.15634	2.9
258.14105	2.5
259.13083	3.0
259.15280	2.6
260.15536	10.7
261.12967	4.8
261.16434	26.1
262.13547	2.9
262.17151	2.8
263.14322	7.6
263.17993	6.7
265.15985	2.2
265.19507	11.4
268.12531	1.9
271.15079	2.8
273.14691	12.6
275.17892	22.1
277.15845	3.9
279.17438	16.1
287.14175	3.4
289.16034	3.1
291.17523	10.2
293.18988	15.8
303.14264	3.4
303.17392	17.6
307.16968	2.6
311.20001	2.7
313.15536	3.6
315.17300	2.5
317.18930	2.8
319.17026	2.5
321.18607	14.8
323.20004	8.1
325.21646	18.8
327.17328	2.4
329.15533	2.4
331.17059	4.9
335.20032	29.2
345.18375	5.7
349.17896	3.3
353.21143	49.4
359.16284	3.4
363.19235	3.0
371.22119	6.8
373.17609	5.4
377.16922	3.5
377.21259	4.2
381.20447	5.7
387.19351	3.1
391.18982	5.7
393.20633	2.5
395.22220	5.1
401.17325	2.7
405.20633	8.5
413.23145	11.1
415.18973	3.6
419.18555	3.1
423.21634	6.7
433.20102	6.9
435.25565	2.4
451.21307	11.6
465.22733	7.1
473.25037	3.8
483.23755	7.8
487.91235	2.2
511.23474	3.0
525.25110	3.5
533.27386	3.0
543.25397	3.5
569.24176	4.6
649.24060	2.2
685.25665	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	735.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69118	0.5
59.64649	0.5
62.10749	0.5
67.05502	0.9
69.50238	3.4
74.68946	0.5
79.05481	0.9
81.07045	0.7
85.69079	0.5
91.05497	0.6
98.20744	0.6
105.07058	0.8
120.08096	1.0
122.09644	0.7
126.64681	0.6
168.08022	0.7
170.09776	0.7
197.10791	0.8
199.08788	0.6
208.09892	0.8
209.10832	1.0
210.11566	1.5
211.08632	0.6
211.12294	1.1
212.13165	0.7
221.10843	1.0
222.11494	0.8
223.08673	0.7
223.12389	1.9
224.13141	0.7
225.13852	3.5
226.14713	1.2
235.12381	1.2
237.10262	0.7
237.13869	3.1
238.14737	0.9
242.57750	0.5
247.12170	0.5
249.10275	0.9
249.13972	1.7
251.08234	0.9
253.13354	0.7
265.13538	0.6
275.15311	0.6
297.12451	0.5
300.15057	0.7
302.12921	1.2
314.13193	0.6
326.12729	0.9
326.16431	0.5
328.14511	1.2
330.16199	0.5
340.14398	0.8
377.17285	0.7
379.19415	0.9
384.13443	0.7
391.15326	0.8
393.20850	1.2
401.18033	0.8
402.18930	0.7
405.17242	2.1
406.17523	0.9
407.23065	0.7
408.23297	0.7
415.15540	1.9
415.20020	0.8
419.18921	1.0
420.19708	1.2
421.20187	1.2
428.16412	1.7
429.17218	1.9
430.17621	1.4
433.16534	1.7
435.21909	2.1
436.22696	1.0
437.23337	0.6
441.17447	0.9
442.18408	0.9
443.18591	2.0
444.15094	0.9
445.20227	1.5
446.21487	0.8
447.22394	1.1
449.19803	1.8
457.20758	2.6
458.21503	1.2
459.22400	2.5
461.19843	1.6
463.21350	2.1
471.17151	0.7
471.22586	0.8
472.23245	0.8
473.19498	2.2
473.23804	2.2
474.20090	3.2
475.21414	1.8
476.22156	1.2
477.19119	0.6
478.19818	0.7
485.19724	1.6
487.21362	5.6
488.22009	0.6
489.19229	1.4
491.20630	18.2
492.21484	3.6
493.22617	1.5
499.21234	1.6
500.21945	3.5
501.19296	9.1
501.22849	6.8
502.20493	0.7
503.20746	2.0
504.21640	1.8
505.23016	0.9
513.19336	1.1
515.20874	1.6
517.22345	3.8
519.24329	9.6
522.26147	0.7
523.27216	1.5
527.20520	3.2
528.21759	2.4
529.22437	3.4
532.24835	1.6
533.21838	2.5
534.22498	1.8
535.23694	0.8
537.21899	0.7
543.24017	1.8
544.24927	0.9
545.21838	2.7
550.25745	0.7
551.25232	9.7
552.23584	1.3
555.20593	0.7
559.23505	0.9
560.24237	54.1
561.24994	2.6
563.22583	0.7
565.24658	1.0
578.25446	2.2
579.26215	6.4
583.65350	0.6
587.22827	7.0
588.23779	24.8
589.23438	0.9
606.24731	1.7
619.25543	12.7
620.26373	13.3
623.25598	0.9
637.26453	4.4
638.27380	100.0
639.27661	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	735.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
53.08789	0.7
55.01872	3.2
55.05490	1.1
57.03439	0.6
58.43972	0.5
63.81181	0.6
64.56413	0.5
67.05505	1.8
67.74327	0.5
69.03428	1.2
69.07067	1.1
69.57303	0.4
69.57619	4.0
71.04990	0.5
77.03935	1.3
79.05490	2.0
81.03420	3.0
81.07059	1.4
82.93999	0.5
91.05483	7.2
93.07057	2.3
95.04974	6.1
95.08617	1.5
97.06573	0.7
99.04431	0.6
103.05471	52.1
105.03395	32.6
105.04428	2.7
105.07018	4.7
105.36391	0.6
107.04969	1.3
107.08608	1.5
109.06496	0.7
115.05465	3.1
116.06264	1.2
117.07015	5.9
119.08573	5.9
121.06502	0.9
121.10157	0.7
128.06215	2.5
129.06979	4.4
130.07765	1.2
131.04930	100.0
131.08551	4.5
133.06474	0.8
133.10132	4.4
135.08040	1.4
141.07007	1.5
142.07794	2.0
143.08559	4.1
144.08109	0.8
145.06490	4.9
145.10124	3.7
147.08047	13.7
147.11703	0.8
149.09610	1.2
153.06961	0.6
154.07823	0.8
155.08565	1.9
156.09366	3.1
157.06537	0.7
157.10121	6.7
158.07355	0.7
159.08070	7.9
159.11639	1.3
161.09645	8.1
163.07555	1.2
164.60994	0.6
165.06966	1.3
166.07707	0.6
167.08563	0.8
169.10155	3.2
170.10910	1.6
171.08043	1.9
171.11693	14.1
173.06017	2.0
173.09654	4.4
173.13257	1.2
175.07564	3.4
175.11194	0.9
179.08609	1.1
180.09291	0.7
181.10126	1.4
183.08020	0.8
183.11688	4.2
184.08829	1.0
185.09637	4.8
185.13240	7.6
187.07564	2.4
187.11237	1.3
191.10712	1.1
193.10086	1.3
195.11742	2.1
197.09645	2.2
197.13165	0.8
197.71629	0.6
198.10461	0.6
199.07559	0.7
199.11169	5.6
200.11975	1.2
201.09175	2.0
203.10670	0.6
206.10791	0.6
207.11778	1.6
209.09625	1.0
209.13297	0.8
211.11151	1.7
213.09117	0.8
213.12794	5.4
215.08835	0.7
215.10744	1.4
217.08569	1.6
217.12250	0.8
219.11823	0.9
220.12463	1.1
221.13370	1.1
223.11201	1.5
227.10724	0.8
229.10217	0.8
229.12233	1.4
230.10890	1.3
231.11748	1.3
231.13785	8.0
232.12442	0.7
233.13503	0.6
234.10365	0.6
235.11241	0.8
239.10655	0.8
241.12268	2.3
243.11766	1.0
243.13966	0.8
244.12575	0.7
245.11694	0.9
249.12773	1.0
251.10683	0.7
257.13422	1.0
258.14151	0.6
259.11108	1.0
259.13278	5.7
261.12744	1.0
262.13461	0.6
263.14273	0.8
265.12234	0.7
269.13223	1.6
270.10446	0.7
271.14816	0.6
272.11966	0.8
273.12817	0.9
275.14413	0.7
277.15808	0.6
283.11093	0.6
283.14694	0.7
285.12769	0.9
285.16116	0.9
287.14334	1.7
289.12170	1.0
297.12753	1.5
298.13348	0.6
299.14401	1.3
299.17856	0.8
301.12314	0.6
301.15915	1.5
311.14359	1.3
312.15210	0.9
313.15808	1.4
315.17603	1.6
317.19193	0.7
327.13922	0.7
327.17487	2.4
328.18222	1.5
329.15283	2.0
329.18890	1.1
341.18857	1.3
345.18539	2.5
347.16556	1.0
357.18381	1.3
359.20068	2.4
369.18634	2.9
375.19727	2.3
377.21060	2.2
385.73169	0.6
387.19531	12.9
387.24301	1.0
405.20590	10.9
447.21744	1.7
465.22818	4.2
569.25153	1.3
587.26202	3.2
595.27692	0.6
717.30408	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46406	1.5
53.03947	3.3
55.01868	1.9
55.05510	6.1
67.05494	7.1
69.03432	2.2
71.55423	1.9
79.05502	6.0
81.03403	4.8
81.07068	5.8
83.04988	5.0
85.02912	2.4
91.05462	8.0
93.07053	6.7
95.04972	4.9
95.08617	4.0
97.06525	1.8
103.05479	22.2
103.21754	1.6
105.07040	10.1
107.04982	3.5
107.08607	5.6
109.06507	1.9
109.10161	3.2
117.07031	3.7
119.05046	1.8
119.08618	8.1
121.06476	2.1
121.10181	2.0
123.04455	2.2
128.06276	2.4
129.06944	1.8
131.04936	43.1
131.08560	5.2
133.06461	3.9
133.10144	6.8
135.08040	2.7
142.07861	1.8
143.08563	5.3
145.06549	2.4
145.10121	5.6
147.04430	4.8
147.08052	5.3
153.05594	2.1
155.08568	3.7
156.09375	2.0
157.10115	6.8
159.08075	4.1
159.11714	3.6
161.05994	6.2
161.09587	3.6
163.11174	1.9
169.10120	4.7
171.08078	3.4
171.11650	7.5
173.09624	2.7
173.13338	2.2
175.02859	2.1
175.07487	1.9
181.10141	2.1
183.11732	6.8
185.09579	3.0
185.13275	6.5
187.11264	2.0
193.10118	2.3
195.11748	3.1
197.09705	3.6
197.13210	2.2
199.11197	4.6
209.09709	2.9
209.13275	2.0
213.09129	2.4
213.12738	4.3
220.12599	1.5
223.11156	3.1
229.10233	2.3
235.14743	2.4
247.15051	2.0
257.08170	2.4
273.14917	3.3
277.15997	2.2
290.76791	1.7
391.18808	2.2
409.20163	4.6
451.21478	1.8
463.17303	3.0
469.22128	3.6
481.18817	1.7
555.22162	2.1
575.22546	2.5
675.29193	100.0
676.29468	5.3
735.30084	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	735.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.01883	2.5
55.05504	2.9
67.05499	4.9
69.03429	4.6
69.07080	2.3
69.18607	6.9
69.19043	3.7
73.61190	1.1
79.05499	6.3
81.03423	1.9
81.07062	4.2
83.04977	4.4
85.02908	1.5
91.05500	6.9
93.07056	5.7
95.04971	3.9
95.08593	2.5
97.06512	2.3
103.05479	45.5
104.05782	2.6
105.04543	1.6
105.07063	7.9
107.04948	2.5
107.08582	3.5
108.37511	1.1
109.02859	1.4
109.06546	1.9
109.10140	2.6
111.04427	1.2
111.08109	2.0
115.05492	2.1
117.07053	2.4
119.08603	7.9
121.06539	2.3
123.04424	2.6
125.05978	1.5
126.20265	1.0
128.06284	1.5
129.07001	1.7
131.04941	100.0
131.08546	4.3
132.05263	5.3
133.06468	2.9
133.10124	4.1
135.04393	1.1
135.08070	2.0
140.41928	1.1
141.06978	1.6
142.07715	1.6
143.08539	4.1
145.06453	2.5
145.10161	4.1
147.08032	3.5
149.05972	3.0
153.05457	3.6
156.09360	3.5
157.10138	4.9
157.67171	1.1
158.10796	0.9
159.08084	2.9
159.11716	2.1
161.06018	2.9
161.09662	2.6
163.07584	1.4
163.11192	1.3
165.06955	1.5
167.07140	1.8
167.08618	2.7
169.10172	5.4
170.10776	1.5
171.08023	2.3
171.11713	7.2
172.12070	1.4
173.09648	2.6
173.13260	1.2
175.07516	2.2
177.05522	1.5
177.09221	1.5
179.07143	1.5
179.08572	2.9
181.10143	2.9
182.11002	1.1
183.08054	3.2
183.11671	5.7
184.08763	2.0
184.12097	2.2
185.09624	4.2
185.13286	2.5
187.07527	1.1
187.11267	1.5
189.09166	2.2
193.10097	4.4
194.10814	2.2
195.06538	4.1
195.08093	1.4
195.11760	2.0
196.08757	2.1
197.09618	7.5
197.13327	1.4
198.10362	1.3
199.11180	5.1
200.11928	1.1
201.09116	1.0
201.12756	2.7
203.07059	2.0
205.10153	1.4
207.11635	2.3
209.09605	4.8
209.13223	1.5
210.10391	1.6
211.11057	5.7
213.09265	2.5
213.12888	1.9
217.08572	6.4
219.11768	2.4
220.12381	1.4
221.13287	2.7
222.10287	1.1
223.11258	3.2
225.09071	1.2
225.12549	1.2
227.10675	7.5
229.12262	1.8
231.10107	2.0
234.13986	2.2
235.14905	1.5
237.12804	1.9
239.10664	2.4
241.12294	1.6
243.47734	1.4
244.12540	1.5
245.13354	2.1
247.11194	2.5
247.14937	1.5
248.11902	1.9
249.12743	1.7
249.16357	1.7
251.10854	2.1
253.12352	3.3
255.09830	1.2
259.14862	1.9
261.11148	1.7
262.13248	1.0
263.14270	2.6
265.12244	1.4
265.15945	1.4
269.11731	3.3
271.13309	2.4
272.11951	1.2
273.12778	1.1
275.10648	1.4
275.14148	1.7
277.15866	3.0
277.18704	1.2
278.16684	1.2
281.12152	2.1
287.14471	2.3
290.13174	1.6
291.13766	1.3
297.16043	4.2
303.13489	1.6
305.15283	3.5
311.13098	1.3
314.16760	1.1
315.13614	2.9
317.15201	1.8
321.14899	1.6
323.16467	1.7
325.14438	1.3
331.17044	1.3
333.14764	3.3
351.15970	1.5
359.16336	2.7
365.17242	2.8
373.17828	1.3
374.18307	1.6
377.17401	1.4
383.18127	1.4
387.15775	1.2
387.88354	1.4
402.17679	1.7
405.17010	1.8
419.18478	2.3
420.19012	2.2
421.16354	2.9
433.16232	3.4
434.20569	3.4
437.19556	1.4
447.18369	1.8
451.21561	2.5
452.21368	4.2
465.19153	12.7
469.22037	1.5
483.19894	4.4
551.21533	1.6
552.27350	1.2
735.33990	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01861	1.2
55.05503	2.2
65.09859	0.5
67.05503	2.8
69.03426	1.5
71.04984	0.9
77.03915	1.1
79.05504	3.6
81.03400	3.0
81.07068	3.0
83.04967	2.3
85.02867	0.9
88.26207	0.5
91.05494	4.3
93.07068	3.2
95.04962	7.3
95.08603	1.9
97.06508	0.7
102.04646	1.0
103.05467	63.1
104.05796	1.1
105.03399	1.4
105.04539	1.4
105.07029	7.8
107.04966	1.7
107.08594	1.7
109.06513	2.1
115.05458	2.2
117.07035	2.6
119.04935	0.8
119.08578	3.2
121.06535	1.5
123.04460	0.6
123.08067	0.8
125.06007	0.9
128.06233	1.9
129.07002	2.0
131.04929	100.0
131.08542	3.0
132.05255	2.2
133.06493	6.4
133.10101	1.9
135.04436	0.7
135.08057	1.5
135.30969	0.6
137.05989	1.5
139.03926	0.6
141.06981	1.9
142.07796	1.9
143.08568	4.6
145.06473	3.4
145.10132	2.4
147.04396	0.7
147.08061	1.9
149.06009	1.3
151.07574	1.1
153.07013	0.8
154.07758	1.3
155.06061	0.5
155.08569	2.4
156.09337	2.8
157.06520	1.1
157.10136	3.1
158.07272	0.8
159.08057	3.8
159.11693	1.8
160.36961	0.5
161.05981	13.4
161.09599	1.7
163.07516	3.0
165.07031	1.2
167.08565	1.6
168.09383	1.0
169.06441	1.3
169.10097	3.9
170.07114	0.6
170.10892	1.3
171.08093	2.7
171.11708	4.2
173.05997	1.6
173.09634	1.6
173.13284	0.6
175.07579	1.3
177.05444	0.7
177.08971	1.1
179.07062	1.1
179.08578	1.4
181.06442	0.7
181.10141	1.6
182.07257	0.6
183.08043	1.6
183.11731	2.7
184.08855	1.1
185.05966	0.9
185.09637	3.2
185.13284	1.2
187.07501	1.6
187.11223	1.8
189.05511	0.6
189.09177	1.0
193.10153	1.0
195.08064	1.1
195.11827	1.1
196.08882	0.7
197.09615	4.7
197.13263	0.7
198.10274	0.7
199.07523	2.2
199.11176	7.2
201.09073	1.5
203.06987	0.8
205.08502	1.2
205.10141	0.6
207.08061	1.2
207.11670	1.3
209.09589	1.4
209.13130	1.2
211.07550	1.4
211.11191	2.2
212.11288	0.6
213.09146	3.8
213.12752	2.0
215.07115	0.5
215.10698	2.2
217.08514	0.8
219.11809	1.1
221.09616	0.5
221.13231	0.8
222.10368	0.6
223.07539	1.6
223.11226	1.1
225.09102	7.1
227.06961	0.7
227.10654	0.8
229.08470	0.6
229.12225	0.8
230.10780	0.6
232.12456	0.7
233.13321	1.1
235.07585	0.8
235.11295	1.1
237.09224	1.5
239.10713	0.7
241.08513	3.5
243.10159	2.1
243.13828	1.0
245.07861	0.7
247.09535	1.0
253.08551	0.6
255.10089	0.7
257.07999	6.2
257.11768	1.0
259.09515	3.5
259.14844	0.5
261.16504	0.6
267.10190	0.8
271.09616	0.7
273.15152	0.8
283.09799	1.0
285.11105	3.1
286.13455	0.7
301.10583	3.0
301.15793	0.8
303.12509	1.1
303.17151	0.8
329.15262	1.1
331.16916	0.8
347.16171	0.8
349.17828	0.8
351.19614	0.6
357.14807	0.7
359.16101	0.7
369.20517	0.7
373.16422	1.8
375.15427	1.0
377.17392	1.0
385.14166	1.4
389.16058	4.7
391.18417	0.6
395.18628	1.6
403.15277	1.8
413.13861	0.6
417.17136	0.8
419.14319	0.6
421.16388	1.1
427.14883	0.6
431.14877	1.8
433.16534	0.9
435.17932	0.7
445.16260	2.5
449.15814	1.1
451.17038	1.3
463.17401	5.9
469.22305	0.8
481.18460	4.4
491.20898	0.9
499.20132	0.6
533.21167	0.8
539.22595	1.0
551.22943	3.0
569.23578	4.6
587.25061	0.6
717.28766	0.9
735.32434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.01866	3.0
55.05500	1.2
57.03418	1.0
67.05506	3.2
67.17318	0.7
69.03445	1.4
69.84536	1.6
69.84928	1.7
71.05011	1.5
77.03963	0.9
79.05499	4.0
81.03426	3.5
81.07056	1.8
83.04977	2.5
91.05482	6.0
93.07037	3.1
94.37941	0.7
95.01349	0.8
95.04978	10.7
95.08627	1.2
96.31598	0.7
97.02885	1.1
103.05476	50.5
105.03419	1.9
105.04523	1.2
105.07034	13.8
107.04945	2.4
107.08607	1.9
109.06515	2.2
111.51669	0.6
112.37111	0.7
115.05459	2.8
117.07027	3.1
119.04948	1.4
119.08590	3.2
121.06499	2.1
123.04410	1.7
123.08129	0.8
125.05983	2.2
128.06236	2.3
129.07008	4.2
129.89381	0.6
131.04938	100.0
131.08623	3.7
132.05235	1.4
133.06499	12.2
133.10141	1.5
135.04416	1.8
135.08069	2.8
137.05945	2.3
141.07001	3.3
142.07753	2.4
143.08577	6.8
145.06517	4.0
145.10139	2.7
147.08083	2.2
149.05986	2.5
151.07555	1.6
152.06161	0.9
153.07018	1.3
154.07777	1.9
155.08586	4.3
156.09377	4.7
157.06456	1.8
157.10136	4.4
158.07265	1.3
159.08090	4.6
159.11703	2.0
161.04649	1.2
161.05997	24.8
161.09639	1.6
162.06761	1.2
163.07558	5.2
165.05592	0.7
165.07069	1.9
166.07777	1.4
167.08591	3.1
169.06548	3.7
169.10114	7.1
170.07285	0.9
170.10915	1.9
171.08025	4.2
171.11707	4.8
172.08842	1.3
173.05994	1.9
173.09651	2.8
175.07558	1.5
177.09076	1.0
179.07037	3.1
179.08592	2.8
180.09326	1.0
181.06613	1.1
181.10173	2.3
182.07336	2.5
182.10951	0.9
183.08011	3.6
183.11699	1.4
184.08833	2.6
185.05984	2.0
185.09625	4.5
185.13235	0.9
186.10410	1.2
187.07561	4.4
187.11203	2.3
189.09166	1.2
192.09279	0.7
193.10143	1.8
195.08099	2.4
195.11732	0.9
196.08803	1.4
197.06017	1.6
197.09618	8.5
198.10353	0.9
199.07521	3.5
199.11214	13.1
201.09116	2.4
203.06979	1.2
205.08598	2.0
207.08134	2.0
207.11833	1.0
209.09607	1.9
209.13414	0.9
211.07596	2.4
211.11211	2.0
213.09174	6.2
215.07013	1.5
215.10704	4.0
217.08655	2.5
219.08217	0.9
219.11748	0.8
221.09630	1.5
223.07599	2.6
223.11226	1.5
225.05511	2.0
225.09125	13.6
226.09869	1.2
227.06999	1.2
227.10739	1.7
229.08463	1.6
229.12253	1.5
231.11935	1.0
232.08823	1.3
233.07982	1.0
235.07526	1.9
235.09555	1.3
237.09137	1.0
239.10718	2.5
241.08484	7.0
241.12257	1.1
243.06459	1.0
243.09938	4.5
245.08148	2.0
247.09689	2.7
249.09247	1.0
251.10696	1.5
253.08513	0.9
255.10205	3.1
257.07993	10.0
257.11749	2.8
259.09579	6.6
267.10202	2.0
269.08139	1.2
270.10364	0.9
271.09540	1.6
275.14432	1.1
281.11749	1.0
283.09573	1.8
284.11899	0.7
285.11133	6.5
289.12277	0.9
301.10483	6.0
303.12433	2.7
303.17487	1.3
309.11206	0.8
311.10635	0.8
311.14185	0.8
314.12955	0.8
315.13855	1.4
317.11752	0.9
317.15268	1.1
326.13202	0.8
329.15140	1.2
331.16840	1.8
339.13449	1.3
341.15387	1.1
347.16476	1.2
349.17914	1.3
357.15054	1.7
359.16309	1.9
361.13843	1.0
373.16351	3.3
375.15927	1.8
377.17630	1.4
385.14413	3.0
389.16220	5.7
391.15387	1.5
393.16721	0.9
395.18878	1.3
403.15146	4.5
409.17102	0.8
413.13934	1.2
417.16959	1.2
419.14804	2.6
421.16556	1.7
431.15106	2.3
433.16644	1.7
435.18323	1.5
445.16180	3.6
449.16022	4.2
451.17239	3.6
457.18411	0.8
463.17538	14.8
469.18652	0.7
481.18747	8.8
491.20667	1.2
519.20636	1.2
521.21655	1.4
533.21338	1.9
539.22729	4.0
551.22705	8.4
569.23694	10.6
629.24255	1.5
657.27222	1.0
699.27515	1.0
735.33112	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	735.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01870	0.6
55.05518	0.4
57.03429	0.3
62.47892	0.2
66.83387	0.3
67.05503	1.6
69.07078	0.6
70.06586	0.3
72.55127	0.2
77.03939	0.9
79.05489	0.8
81.03404	0.8
81.07051	0.8
81.15515	0.2
83.04987	0.7
86.23715	0.3
91.05494	1.6
93.07042	0.7
95.04975	2.2
95.08568	0.3
102.04697	0.7
103.05466	45.5
104.05804	1.0
105.04523	1.0
105.07013	2.6
107.08603	0.4
109.06490	0.3
109.10165	0.5
115.05444	0.5
116.07129	0.4
117.07037	0.8
119.08585	0.6
121.06504	0.6
125.07526	0.2
128.06171	0.5
129.06995	0.8
131.04927	100.0
131.08574	1.0
132.05258	2.0
133.06477	2.9
133.10124	0.6
135.04387	0.3
135.08025	0.4
135.74492	0.2
141.07008	0.8
143.08565	1.1
144.08034	0.4
145.06453	0.6
145.10164	0.8
147.08047	0.4
149.09616	0.3
153.07019	0.4
155.08504	0.7
156.09384	0.7
157.10133	1.4
158.69620	0.2
159.08086	0.9
159.11713	0.4
161.04625	0.6
161.05975	11.8
163.07516	0.5
165.07120	0.3
168.09303	0.4
169.10126	0.8
171.08026	0.6
171.11658	1.1
173.09630	0.9
175.07573	0.3
177.05492	0.5
179.07118	0.4
179.08571	0.5
181.10220	0.4
183.11707	1.0
184.08815	0.7
184.12064	0.3
185.09705	0.3
185.13266	0.5
187.11118	0.5
191.73700	0.2
192.09372	0.3
193.10080	0.3
195.06482	0.5
197.09630	0.7
197.13283	0.5
197.36139	0.3
199.07692	0.4
199.11186	1.0
201.09244	0.3
201.12730	0.4
204.07823	0.4
207.11630	0.5
211.11136	0.4
213.09229	0.3
213.12825	0.8
215.07004	0.9
215.10654	0.6
217.08536	0.7
219.11714	0.2
221.13297	0.3
223.11142	0.3
225.09102	0.5
231.11856	0.4
239.10713	0.3
243.10132	0.9
259.09619	0.4
261.11172	0.3
275.10596	0.3
293.11884	0.4
303.13507	0.3
333.14960	0.3
357.14825	0.5
375.16013	0.5
391.15344	0.7
403.15317	0.8
409.16437	0.7
421.16241	1.6
435.18127	0.3
439.17474	1.0
452.21521	0.4
493.18182	0.4
551.20892	0.3
569.21649	1.1
587.22296	0.9
603.22247	3.2
717.26257	0.9
735.27533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.7
55.05508	17.8
67.05490	3.3
70.06580	3.6
70.22678	1.9
70.85293	3.4
71.18225	1.7
74.86627	1.8
77.03926	3.4
79.05492	6.3
81.03419	4.0
81.07055	7.8
83.04995	27.8
83.06315	2.3
88.07623	2.0
91.05495	12.1
93.07030	6.6
95.04954	6.7
95.08598	6.8
98.21442	2.2
103.04799	2.9
103.05477	57.8
105.03407	14.7
105.07039	14.6
106.03699	4.7
107.04912	3.0
107.08590	5.9
109.06454	2.5
109.10163	2.2
117.07028	5.6
119.04917	2.4
119.08607	11.1
119.77148	2.4
121.06515	4.1
121.10141	5.0
128.06268	3.8
129.06998	5.6
131.04939	100.0
131.08546	7.4
132.05244	3.2
133.06485	4.0
133.10123	19.2
135.08055	4.1
141.07033	2.3
142.07764	4.4
143.08586	9.7
145.06476	4.2
145.10136	7.4
147.08063	11.4
149.06065	2.2
149.09598	7.3
153.09044	3.3
155.08527	6.0
156.09348	5.0
157.10167	13.7
159.08060	6.9
159.11629	3.8
161.06010	4.6
161.09627	8.6
163.11166	3.1
165.07008	3.1
168.09505	2.0
169.10139	10.1
170.10840	5.8
171.08000	4.6
171.11702	22.4
173.09599	7.8
175.07526	3.8
179.08525	2.2
181.10132	4.9
183.08043	3.3
183.11728	18.2
184.12209	3.0
185.09657	4.8
185.13246	10.4
187.11185	3.9
193.08501	3.0
193.10158	4.9
195.11670	6.3
197.09624	3.4
197.13231	6.7
199.11206	8.8
201.09200	2.2
206.10803	2.5
207.11761	6.2
209.13097	2.6
211.11311	5.1
213.09145	3.0
213.12766	15.8
219.11801	3.7
220.12279	3.1
221.13272	6.8
223.11285	3.9
229.12097	4.4
230.10840	2.6
231.11742	4.8
231.13780	5.3
232.12434	3.6
233.13406	3.1
234.14032	3.0
235.14853	4.0
237.12802	2.8
241.12270	3.2
243.11725	4.0
243.13928	4.2
244.12386	4.0
245.13261	4.8
245.15448	5.9
246.13951	3.2
247.14870	5.5
249.16306	4.6
257.13232	4.5
258.14252	2.2
259.15048	3.3
260.15500	2.8
261.16412	4.2
270.13965	2.9
272.15482	2.5
273.16797	2.7
275.14203	2.3
275.17999	2.1
277.16000	4.3
285.16388	2.4
287.14462	2.5
287.17697	2.3
291.17300	2.7
297.16299	3.4
299.14172	2.9
301.15973	4.8
303.17352	5.3
307.16824	3.6
313.15488	2.9
315.17456	3.8
319.16995	2.7
321.18442	2.5
329.18839	4.8
331.16956	4.6
333.18390	4.0
345.18591	4.1
347.16220	4.1
349.18118	3.5
359.16214	4.8
363.19492	4.3
369.20593	2.4
373.17886	8.1
375.19348	3.3
377.17432	8.4
388.20197	2.6
389.20663	5.9
391.18790	12.1
405.20575	4.5
406.20862	4.5
407.21649	4.4
409.20023	4.0
419.18399	8.7
421.20148	3.3
423.21582	9.6
433.20099	9.8
437.19601	3.4
448.57214	2.2
451.21091	17.5
469.22211	16.8
495.41064	2.2
566.91046	2.3
569.27148	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	734.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.7
55.01871	8.2
55.05497	19.7
58.26225	7.1
65.98705	6.4
67.05489	17.1
69.03416	29.3
69.26300	14.8
69.26706	42.8
79.05492	26.6
81.03412	15.9
81.07040	17.9
83.04966	27.5
87.65491	7.0
90.27591	6.5
91.05465	30.2
93.07050	43.2
95.04956	26.1
95.08598	28.1
98.57657	6.1
99.91885	7.7
101.69029	5.8
103.05466	24.2
105.03388	29.2
105.07029	56.8
106.03728	6.8
106.48015	5.9
107.04939	10.2
107.08591	22.2
109.10116	8.2
109.82407	6.8
115.05409	10.2
117.07009	20.9
119.04984	6.8
119.08559	28.6
119.28418	6.3
121.06500	17.9
121.10147	13.0
123.08069	16.9
129.06987	18.8
131.04941	31.9
131.08569	32.9
133.06493	36.7
133.10130	26.6
135.08031	20.7
137.09653	7.5
142.07813	7.7
143.08548	23.4
144.61240	6.4
145.06503	15.2
145.10114	26.7
146.08148	14.3
147.08005	20.9
149.09557	22.1
150.06775	16.3
151.07510	13.4
155.08527	14.1
156.09315	23.1
157.10146	41.7
159.04294	7.9
159.08026	15.8
159.11693	9.5
161.05945	16.6
161.09662	20.0
165.07114	9.3
169.10152	34.1
170.10895	16.0
171.08032	8.8
171.11722	100.0
173.09595	25.2
179.06996	58.7
180.09291	7.0
181.10146	11.3
183.11716	74.8
185.09676	13.1
185.13277	73.4
187.11139	9.2
193.10150	14.5
194.10709	8.2
195.11681	18.2
197.09705	14.7
197.13283	23.0
199.11218	22.9
201.12762	12.6
206.10936	8.2
207.11667	18.3
209.09589	9.6
209.13303	8.7
211.11145	21.0
213.09171	8.1
213.12724	59.0
219.11746	8.4
221.13364	9.1
222.13795	6.3
227.10698	8.5
229.12216	11.3
231.11736	9.4
231.13846	11.9
232.12508	9.3
233.13252	13.7
234.13721	8.9
235.11205	7.0
235.14752	9.4
237.12764	10.1
241.12274	16.6
243.11659	13.4
243.13844	24.3
244.12416	11.8
245.13354	9.0
245.15413	54.8
246.14027	16.0
247.14912	12.4
249.12700	7.0
249.16367	7.4
251.14230	8.3
255.13734	13.3
257.13342	13.4
258.13910	10.3
259.14920	11.3
260.11615	6.6
261.12646	9.7
261.16437	9.9
263.18057	8.1
273.14694	34.0
277.15854	9.7
285.16202	8.4
287.14420	9.1
289.15857	9.5
291.17303	8.2
293.18774	7.8
303.14014	10.6
303.17398	21.3
307.16705	8.9
313.15771	12.1
315.17163	9.2
316.80362	6.9
317.18750	12.2
319.16446	7.7
327.17303	7.8
331.16650	13.4
345.18457	16.4
347.16287	8.8
349.17908	14.2
355.16916	13.7
359.16348	17.9
363.19745	15.1
373.17877	20.1
377.17206	10.7
377.21530	13.7
387.19223	11.7
391.18918	29.6
392.19266	8.1
395.22226	14.0
401.17361	14.6
405.20605	49.6
419.18558	18.5
423.21652	56.5
433.20056	25.0
437.19421	7.5
449.35843	7.8
451.21295	42.8
465.22913	8.3
483.23813	25.7
511.23663	15.4
543.25702	11.8
611.28510	15.5
734.32507	17.0
735.33130	14.1
762.21887	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	734.338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17708	4.3
55.01869	7.5
55.05506	8.9
67.05498	8.5
69.03439	52.0
70.06573	16.5
74.09733	21.5
79.05486	15.3
81.07067	7.9
83.04971	7.6
91.05499	23.3
93.07043	14.7
95.04973	11.5
102.42671	4.0
103.05508	24.6
104.20413	3.9
105.03423	10.2
105.07034	58.5
107.08562	12.1
109.06495	7.7
113.98093	4.2
115.05449	7.7
116.07085	21.9
117.07020	17.2
118.62176	4.6
119.08587	38.5
121.06587	6.3
121.10119	7.2
126.05540	6.7
128.06226	10.9
129.07014	15.5
131.04947	44.3
131.08614	25.0
133.06511	28.2
133.10139	25.8
135.08104	4.5
137.05878	4.3
141.06931	4.4
142.07779	20.0
143.08598	22.4
145.06564	7.5
145.10133	33.4
147.08058	27.9
149.09598	7.9
153.06984	7.1
155.08556	16.8
156.09338	16.7
157.10127	48.7
159.08043	17.6
159.11693	9.7
159.27142	4.3
161.06000	31.3
161.09642	8.3
161.96066	4.1
163.11162	6.7
165.07040	7.6
168.09364	5.6
169.10168	31.9
170.10902	19.1
171.08046	17.6
171.11717	74.2
172.08862	6.6
173.05923	5.8
173.09637	20.2
173.13287	5.1
175.07555	19.7
177.05507	5.7
177.09091	12.3
180.09262	7.0
181.10172	19.0
182.10870	5.8
183.08105	8.0
183.11713	74.2
185.09662	16.5
185.13258	50.6
187.07568	5.6
187.11143	8.5
189.05443	16.1
193.10149	7.7
194.10841	5.2
195.11705	15.3
197.09627	17.8
197.13269	14.5
199.07504	9.0
199.11235	25.1
201.09082	5.1
201.12724	14.7
205.10361	5.8
205.12170	9.7
207.11702	10.4
209.13260	6.3
211.07578	6.4
211.11125	25.0
213.12766	53.5
215.10724	5.5
217.12131	5.3
219.11627	8.1
220.12355	4.8
221.13234	15.6
223.11195	11.0
224.11684	5.3
225.09192	8.0
229.12241	10.8
230.10828	8.5
231.11751	8.7
231.13812	10.1
232.12509	7.0
233.13315	9.9
235.11072	5.5
235.14839	6.3
241.12289	16.1
243.13792	25.6
244.12407	11.1
245.13313	5.7
245.15393	27.9
247.11159	7.1
247.14867	8.8
255.11674	6.8
255.13945	10.1
256.12329	6.0
257.13254	10.6
258.13928	7.7
261.12634	9.3
262.13550	5.8
267.11743	7.2
269.13150	19.3
270.13943	15.2
271.14926	6.9
272.12021	4.6
272.15515	5.8
273.12433	6.3
273.14792	25.2
281.13217	5.2
283.10907	4.7
283.14832	7.0
284.15491	6.9
285.16379	14.1
287.14157	14.4
288.15021	5.3
297.12610	6.9
298.13773	9.2
299.14191	13.1
299.17990	14.1
301.15860	9.6
303.13898	6.8
303.17383	11.5
312.15198	6.2
313.15735	13.7
315.13739	9.4
315.17181	8.3
316.14584	5.7
317.19009	5.8
325.12097	11.1
326.13043	6.4
327.13858	6.0
327.17413	20.9
329.15289	13.1
331.16837	15.5
340.14291	5.5
341.15335	20.9
343.16852	16.6
345.18423	17.6
355.17050	30.2
359.16409	19.8
361.17899	5.7
371.16318	7.8
373.18124	37.9
377.17303	12.0
378.27710	5.2
383.16373	18.1
389.17261	5.8
391.18875	12.3
401.17560	35.7
403.19214	8.1
405.20868	31.0
415.19006	36.3
419.18420	17.7
423.21552	15.4
433.20117	100.0
451.21155	57.7
483.22427	5.9
493.22260	31.6
501.22470	12.0
506.85434	5.6
511.23483	29.2
519.23712	15.6
554.28156	8.8
579.24976	7.8
591.65002	4.7
597.26129	5.6
639.27863	38.4
657.29114	6.7
734.34509	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	734.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01888	4.7
55.05507	8.5
67.05516	7.3
69.03428	35.2
69.07060	6.2
69.86798	20.9
70.06602	12.3
72.08139	5.5
79.05504	12.6
81.03424	5.9
81.07071	9.3
83.04982	12.4
91.05482	27.4
93.07030	10.0
95.04998	6.3
95.08608	6.3
103.05450	8.1
105.03397	7.1
105.07024	42.0
107.08596	12.4
109.06519	7.6
115.05489	9.4
116.06369	5.2
116.07112	23.2
117.07010	26.3
119.04940	5.7
119.08576	44.4
121.06572	6.0
121.10152	5.7
125.02379	5.2
128.06233	7.4
129.07010	20.7
131.04968	17.3
131.08585	29.2
133.06505	22.1
133.10136	29.2
135.08040	11.5
141.07051	4.3
142.07744	7.2
143.08554	30.4
145.06508	19.6
145.10121	30.8
147.08070	25.6
149.06026	7.4
149.09589	9.8
155.08559	17.1
156.09337	20.7
157.06546	4.6
157.10144	45.3
159.08073	19.1
159.11745	9.4
161.05983	30.2
161.09641	17.6
163.07538	7.2
163.11206	9.0
165.07001	9.1
167.08501	7.5
168.09447	5.0
169.10147	33.7
170.10886	19.3
171.08067	17.7
171.11699	100.0
173.05989	7.9
173.09644	27.4
173.13252	10.7
175.07483	20.0
177.05493	5.3
177.09111	7.8
179.08551	8.1
181.10199	11.8
182.10941	4.7
183.08131	11.4
183.11719	66.7
185.09676	13.7
185.13275	80.4
187.11285	9.2
189.05467	12.3
189.09088	6.8
191.10712	6.2
193.08546	4.8
193.10146	10.1
195.08032	5.1
195.11693	17.0
197.09660	21.6
197.13284	26.8
198.10417	8.2
199.07552	9.0
199.11188	41.1
201.09027	4.6
201.12671	6.0
205.10402	4.3
205.12314	7.0
207.06612	6.2
207.11685	15.3
209.09682	5.5
209.13165	8.7
211.11182	18.5
213.09193	6.8
213.12758	64.8
218.10910	4.9
219.11760	8.5
220.12454	10.2
221.13321	12.1
223.11237	9.6
223.14778	4.9
225.09212	4.7
225.12758	6.9
229.12282	11.1
231.11690	11.2
231.13792	7.4
233.13455	8.9
235.11157	7.1
235.14839	7.2
237.12776	8.7
241.12378	9.2
243.11667	12.0
243.13857	24.2
244.12552	7.6
245.13333	7.9
245.15417	57.4
246.13960	8.0
247.14969	8.6
249.12756	5.3
251.14291	7.6
255.11578	8.9
255.13948	10.3
256.12482	4.3
257.13315	13.2
258.14099	10.1
260.15585	7.8
261.12830	10.0
261.16379	5.9
262.13580	4.3
263.14310	6.6
267.11606	7.9
269.13272	16.9
270.14044	9.8
271.14703	13.9
272.11911	5.9
272.15576	6.6
273.12436	6.4
273.14795	33.8
275.14059	6.0
281.13184	7.6
283.11279	4.5
283.14868	8.8
284.12125	5.3
285.12958	6.0
285.16592	14.6
286.13599	4.6
287.11224	4.8
287.14328	11.3
287.17996	4.7
296.15479	4.4
297.12640	12.9
297.16159	5.8
298.13388	4.6
299.10974	5.1
299.14261	12.6
299.17862	9.3
300.15027	8.4
301.16037	8.9
303.13690	10.3
303.17365	7.9
311.10764	4.6
311.14346	8.4
312.15244	4.7
313.12344	9.2
313.15881	12.2
315.14014	8.1
315.17526	9.7
316.14410	6.6
317.15491	7.2
327.17447	14.4
329.11838	6.2
329.15448	9.4
331.16693	27.5
333.17477	6.0
340.14630	5.2
341.15311	29.6
342.15979	7.4
343.16910	8.1
345.14880	4.8
345.18369	18.5
347.16501	9.7
349.17947	9.6
355.16684	26.2
359.16348	35.2
361.14059	7.2
363.19504	6.4
373.18063	52.1
377.17352	12.7
383.16269	20.9
387.19702	6.5
389.17429	7.7
391.18982	24.0
401.17511	59.1
403.19135	4.6
405.20578	20.4
415.19180	22.8
419.18558	40.1
421.20142	12.1
423.21588	16.6
433.20184	81.0
451.21182	92.6
461.19937	10.4
469.22287	6.9
479.20746	20.5
493.22202	16.4
511.23349	50.9
519.23511	9.0
625.25952	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	734.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
51.68620	0.5
53.03939	2.1
55.01866	1.8
55.05504	1.7
66.04177	0.6
67.05489	2.4
69.03436	3.6
69.29427	5.6
77.03915	1.3
79.05495	2.7
81.03397	1.7
81.07059	2.1
83.04984	1.4
91.05483	3.6
93.07050	2.2
95.04981	5.7
95.08597	1.8
97.06538	1.2
98.32693	0.5
101.02397	1.6
102.04639	0.6
103.05471	54.4
104.05795	5.0
105.03403	3.1
105.04443	1.0
105.07052	6.5
106.07371	1.2
107.04950	1.7
107.08591	1.7
109.06512	1.2
115.05476	2.0
117.07025	2.3
119.08578	4.5
121.06506	1.7
121.10150	0.7
123.08073	0.8
125.06001	1.1
128.06198	1.3
129.07019	2.1
131.04932	100.0
131.08582	2.5
132.05261	9.1
133.06473	5.7
133.10143	1.6
134.06871	1.0
135.04396	0.8
135.08070	1.6
137.05971	1.8
141.06976	1.7
142.04976	1.5
142.07806	1.4
143.08563	3.7
144.08949	0.7
145.06500	2.7
145.10123	2.1
147.04379	0.6
147.08032	1.7
149.05989	1.3
149.09694	0.9
151.07553	0.8
153.06953	0.8
155.08586	2.9
156.09322	2.4
157.06532	0.6
157.10158	4.7
158.10637	0.7
159.08069	3.8
159.11714	2.0
161.05965	7.6
161.09624	1.3
162.06371	1.9
163.07567	2.0
165.05519	0.7
165.06894	1.0
165.09166	0.6
167.08493	1.7
168.09262	0.9
169.06468	1.5
169.10133	4.9
170.10838	3.4
171.08069	2.3
171.11687	5.5
172.12053	1.0
173.09630	2.4
173.13286	0.7
175.07552	1.0
177.09052	1.1
179.07095	1.1
179.08534	1.0
180.09290	0.9
181.10179	1.9
182.07204	0.8
182.10750	0.7
183.08099	2.1
183.11699	20.0
184.08725	1.9
184.12358	1.0
185.09624	3.3
185.13271	2.0
187.07594	1.6
187.11203	1.4
189.09024	0.9
190.07837	0.7
192.09265	1.0
193.08585	0.9
193.10167	0.9
194.10822	1.0
195.07954	1.3
195.11711	1.8
196.08566	0.8
197.09583	3.8
197.13266	1.0
198.06613	0.6
198.10117	1.0
199.07545	1.4
199.11214	5.9
200.11557	1.8
201.09131	0.9
201.12717	3.1
203.06973	0.8
205.12315	1.0
206.10852	0.8
207.08212	0.9
207.11740	2.9
208.08737	0.8
208.12343	0.8
209.09549	1.0
209.13264	1.2
210.10167	0.7
211.07562	0.8
211.11201	4.0
213.09056	3.0
213.12697	1.4
214.09383	1.0
215.10657	1.4
217.08592	2.0
217.12236	0.9
219.11900	0.8
220.12524	0.7
221.09689	1.2
221.13258	1.7
222.14040	1.0
223.07680	0.7
223.11154	0.9
223.14789	1.5
224.08058	0.6
224.11755	0.8
225.09042	4.7
225.12694	1.1
226.09396	3.0
227.10689	1.0
229.12218	2.5
230.10808	1.0
231.11836	1.3
232.12347	0.9
233.09663	0.9
234.10780	0.6
234.13795	0.7
235.07664	0.8
235.11266	0.8
235.14775	1.6
237.12851	0.8
237.16354	4.5
239.10699	1.2
239.14302	1.4
241.08565	2.2
242.09010	1.2
243.11800	0.9
243.13953	1.5
246.13974	1.2
247.14806	2.4
251.10692	0.8
251.14348	1.7
251.18105	0.8
257.07928	3.7
258.08426	1.4
259.09586	1.4
259.15015	1.0
260.09891	1.1
261.16629	1.2
262.13394	1.0
263.14383	1.1
263.18018	1.2
265.15878	5.3
267.10233	1.0
267.13785	2.1
273.16422	1.0
277.15750	0.7
279.14359	0.9
279.17371	5.1
283.16934	0.8
285.11279	1.2
286.11334	0.8
289.15915	0.9
293.15521	1.1
299.14008	0.9
301.10889	1.2
301.15915	1.3
303.12469	0.7
303.17221	0.8
307.16968	4.6
309.15063	0.7
314.12473	1.0
317.15475	0.7
319.16727	1.1
323.16336	0.6
325.17947	2.1
331.17029	1.3
335.16553	2.6
339.19614	0.7
343.16806	0.9
346.17865	0.8
347.16324	0.7
349.17914	2.0
353.17593	0.8
357.15115	0.9
359.16504	0.9
361.17798	1.1
363.19760	0.7
367.18948	1.1
371.14893	0.7
385.20261	1.4
386.14627	1.2
388.14880	1.6
388.19180	1.5
396.13907	0.7
396.19183	0.7
404.15759	1.0
406.20267	2.4
409.20367	0.9
420.21600	0.8
421.20264	1.1
430.20151	0.7
434.20114	1.0
446.17224	1.5
448.21140	2.0
463.17471	1.2
464.17914	3.5
466.22556	1.3
480.23987	0.8
482.19031	1.4
508.23428	0.9
526.24634	1.8
538.21484	1.3
550.21497	2.0
558.27142	1.2
567.22333	1.1
568.22351	3.5
586.25928	2.0
593.27008	1.8
604.28210	1.0
674.28815	1.0
734.31592	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	733.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12286	0.5
55.05507	1.8
55.91827	0.5
57.03437	1.9
57.07074	0.6
61.02930	2.6
67.05509	5.9
69.03423	1.6
69.07061	2.4
69.23975	2.0
69.24393	3.3
71.05004	0.7
73.02906	2.9
73.20382	0.5
79.05510	2.9
81.03412	1.0
81.07060	5.4
83.08611	1.4
84.04459	0.5
85.02915	3.4
85.06550	0.7
87.04427	0.6
90.02284	0.5
91.03966	2.3
91.05501	2.1
93.07034	3.2
95.08611	6.8
97.02891	3.2
97.10138	0.7
99.04462	0.6
101.02396	1.0
105.07050	1.5
107.08582	1.8
109.10174	2.0
119.08605	1.3
121.10168	1.7
123.11700	0.6
124.28235	0.5
127.03931	1.5
130.17184	0.6
131.05524	0.5
131.08571	0.6
133.10143	1.4
135.11705	1.1
145.10002	0.8
147.11671	0.8
150.13007	0.5
161.13292	0.8
179.14415	0.6
198.55566	0.6
237.14531	0.7
243.08337	1.1
307.55801	0.5
348.72675	0.6
383.24176	1.6
439.26700	4.0
455.22537	4.2
519.29108	3.6
561.25226	0.7
733.46680	100.0
734.46655	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	733.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.2
53.03934	1.8
55.01873	6.9
55.05504	1.2
57.07047	0.6
65.03950	0.6
67.05495	1.9
69.03432	1.1
69.07078	1.0
77.03931	1.0
79.05501	3.9
81.03412	4.5
81.07053	2.0
87.04510	0.6
89.06026	0.9
91.04906	0.6
91.05477	12.2
93.07052	4.7
95.04977	7.3
95.08603	2.9
97.06540	0.5
98.21546	1.0
102.04668	0.7
103.05472	50.1
105.04509	0.9
105.07032	10.1
107.04942	2.0
107.08605	3.7
109.06518	2.1
112.76434	0.4
113.06017	0.7
114.96246	0.5
115.03929	1.1
115.05437	4.3
116.06220	1.1
117.07029	8.2
119.07790	1.0
119.08582	12.7
121.06502	1.9
121.10152	2.2
123.08037	0.8
128.06198	3.9
129.07014	9.9
130.07788	1.3
131.04930	100.0
131.08562	7.4
132.05678	0.5
133.06517	1.6
133.10127	13.7
135.08057	2.6
141.05493	0.5
141.07007	2.3
142.07761	4.4
143.08566	8.6
144.05707	0.7
144.09404	0.6
145.06480	7.9
145.10133	7.8
146.07280	1.2
147.08049	34.0
147.11720	1.2
149.06012	0.7
149.09631	3.6
153.07034	1.3
154.07829	0.9
155.08562	4.9
156.09358	5.0
157.06480	1.2
157.10136	15.3
158.07220	1.2
159.08066	15.3
159.11688	7.7
161.06042	1.1
161.09619	16.5
163.07553	15.4
163.11166	1.4
165.07010	1.9
166.07800	1.1
167.08591	1.7
168.09337	1.8
169.10126	8.1
170.07259	0.7
170.10936	5.0
171.08083	4.3
171.11690	21.6
172.08852	1.0
172.12288	0.6
173.06030	2.8
173.09628	11.4
173.13309	3.0
175.07588	2.8
175.11212	2.0
177.09171	0.9
178.07744	0.5
179.08572	1.5
179.10710	0.7
180.09357	1.4
181.06650	0.6
181.08723	0.5
181.10075	2.7
182.10948	1.9
183.08127	1.8
183.11702	19.1
184.08929	0.8
184.12407	0.7
185.09669	6.7
185.13264	21.3
187.07573	1.8
187.11156	4.2
187.14857	1.1
189.09097	1.6
189.12772	1.2
191.10559	0.9
193.10147	2.3
193.11943	0.7
194.10933	1.0
195.07973	0.7
195.11705	4.5
197.09624	3.0
197.13252	6.4
198.10391	1.1
199.07542	0.6
199.11182	9.4
200.11955	1.2
201.09090	3.7
201.10864	0.4
201.11159	0.5
201.12758	3.3
203.08725	0.6
203.10704	1.7
203.14351	1.1
205.10263	0.8
205.12260	1.3
206.10873	1.2
207.11754	2.2
208.12457	0.7
209.09676	1.7
209.13297	1.7
211.11191	3.9
213.09358	1.1
213.12747	18.5
215.08784	0.6
215.10718	1.8
215.14357	0.9
217.10304	0.9
217.12245	2.4
218.10922	0.8
219.11797	1.2
220.12479	1.2
221.09668	0.7
221.13271	2.1
222.10262	0.6
223.11295	3.0
223.14810	0.8
225.12753	2.6
226.09883	0.6
227.10684	2.2
229.10344	0.7
229.12228	2.8
231.11703	1.6
231.13849	3.6
232.12421	0.8
233.11484	0.6
233.13402	1.1
233.15356	1.2
235.11266	1.2
235.14905	1.0
237.12749	1.6
239.10669	1.9
241.12230	7.6
243.11716	1.2
243.13808	3.4
244.12473	1.1
245.11494	0.7
245.13264	0.7
245.15379	10.7
246.10408	0.8
247.11137	1.2
249.12761	1.3
251.14383	1.3
254.11057	0.6
255.13872	3.1
257.15430	2.2
258.14032	1.1
259.10898	1.2
259.13190	7.3
260.12057	0.6
261.12634	1.5
261.14685	0.9
263.16486	1.8
265.12296	0.7
268.12415	0.7
269.09766	0.5
269.13229	1.5
272.12323	1.0
272.15674	0.8
273.12656	1.0
273.14908	10.8
274.13412	0.8
275.14133	1.2
277.16089	1.3
279.13931	0.7
282.13879	0.7
283.11514	0.7
283.14578	1.1
284.11786	0.6
284.15738	0.8
285.12686	1.1
286.13477	0.7
287.14297	2.5
288.15424	0.6
289.15894	1.4
291.15988	2.6
297.12808	2.7
297.16028	0.8
298.13626	1.5
299.14325	2.3
299.17697	1.1
300.15152	0.9
301.15802	2.2
302.16748	0.6
303.14020	0.8
303.17462	0.8
311.14264	1.4
312.14771	2.4
313.15927	1.6
315.13934	1.0
315.17239	2.7
317.15750	0.8
317.19034	2.8
326.16650	0.9
327.17419	6.6
328.18259	1.5
329.15295	0.9
329.18985	1.2
331.20523	1.9
333.18515	1.0
341.18970	4.3
343.16742	0.8
345.14850	0.9
345.18463	4.4
346.19025	0.8
357.18527	1.7
359.20087	4.9
363.19608	1.1
369.18518	3.0
375.19507	1.1
377.21100	1.1
387.19608	6.3
389.21262	3.3
391.22595	4.3
401.21155	9.5
405.20468	3.4
407.22305	1.5
409.23706	0.6
419.16779	1.0
419.22241	16.9
437.23361	6.6
514.42993	0.6
549.26166	1.6
553.25781	1.3
567.27148	2.6
571.27130	1.1
585.28589	1.9
636.26080	1.0
701.30518	1.4
715.32123	1.2
733.32281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	2.2
67.05504	6.3
69.07066	3.0
79.05511	6.0
81.03400	1.1
81.07056	8.0
83.08610	1.8
89.06026	1.1
91.05478	7.1
93.07039	6.3
94.06596	2.0
95.04983	1.2
95.08600	4.6
98.20708	1.8
104.68578	1.0
105.07031	3.1
107.08588	1.4
109.10158	1.7
117.07014	2.4
119.08587	3.0
121.10168	3.1
131.08549	2.9
133.10123	3.4
135.08058	1.7
135.11713	1.1
145.10115	1.9
147.11707	1.4
149.09705	1.5
157.10086	1.1
159.11679	1.6
171.11740	1.2
177.12773	1.4
209.10703	1.8
221.10773	4.0
223.08725	1.5
223.12320	2.4
225.10251	3.3
229.99135	0.9
233.10783	2.5
234.11465	1.4
235.08687	1.2
235.12331	2.5
237.10237	1.1
239.11746	1.0
249.10269	1.9
251.08159	3.7
275.20102	3.2
279.11465	0.9
301.12711	1.0
304.51990	0.9
349.23734	2.7
365.15527	1.2
367.24954	2.7
403.15359	1.8
404.15942	1.1
415.15259	2.0
416.16418	1.6
417.17068	2.5
418.17926	2.1
419.18671	1.4
429.17157	2.2
431.18842	2.7
433.20432	1.2
445.20395	1.4
446.16782	1.3
461.19699	5.8
473.19992	1.4
488.18524	2.0
489.19174	18.1
490.19992	6.6
491.20956	1.9
501.19022	3.2
503.20532	2.2
509.29886	1.0
517.19067	1.4
533.22052	1.3
547.23401	1.8
548.23480	1.2
549.21338	12.8
561.21448	3.0
563.23059	1.6
565.24573	1.2
575.22797	15.7
576.23584	7.4
577.24530	5.1
603.22479	1.4
604.22253	1.8
635.25006	19.2
636.25787	100.0
637.26331	4.9
733.49371	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	733.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	0.7
57.03380	0.5
57.25962	0.6
67.05470	1.4
69.07030	0.8
70.73869	0.7
70.74195	1.1
79.05482	0.7
81.03366	0.8
81.07006	1.4
85.02854	0.8
89.06000	0.6
91.02125	0.7
91.05433	1.9
93.07023	1.4
94.06503	1.9
95.08576	1.0
97.02862	1.0
106.07151	0.7
107.70969	0.6
109.10129	1.4
112.48704	0.7
118.06515	0.6
133.10052	1.4
151.11134	1.0
155.83408	0.6
195.09041	0.7
206.03204	0.7
206.08203	0.8
209.10687	1.0
211.08562	0.7
221.10684	1.8
222.59383	0.6
223.08623	1.5
223.12227	1.5
224.09425	0.7
225.10141	3.0
233.10785	2.9
234.11514	1.4
235.12306	2.0
236.09535	0.7
237.10100	1.4
239.11784	1.2
243.30862	0.6
249.10240	2.8
251.08087	3.7
251.11835	1.4
277.09671	1.1
279.10846	0.8
323.13913	0.7
325.12292	0.8
326.12875	1.0
337.11935	0.9
343.76019	0.6
350.52359	0.6
366.12262	0.9
375.16559	0.8
403.15384	1.9
404.16055	0.9
404.97894	0.7
415.15485	2.4
416.16415	1.7
417.17062	2.0
418.18073	1.0
419.18738	1.5
429.17429	1.2
431.18887	1.8
433.20636	2.8
445.16501	1.7
446.16718	1.5
447.17825	1.4
455.18744	2.3
459.18024	0.7
460.18811	1.4
460.24597	0.7
461.13495	0.6
461.19739	7.3
462.20322	0.9
470.17892	0.7
473.19888	1.1
475.17233	0.8
487.17499	0.8
488.18726	1.7
489.19193	17.0
490.20078	3.8
491.20926	1.3
501.19193	2.2
503.20758	1.9
515.20306	0.7
517.18304	1.2
519.29163	1.0
547.23676	1.4
548.24188	0.8
549.21222	11.9
561.21112	1.7
563.22809	1.6
575.22980	9.7
576.23712	5.4
577.24585	4.8
604.23035	2.0
621.23370	1.0
635.24988	13.4
636.25800	100.0
637.26001	4.6
683.28607	0.9
715.31305	6.9
733.41418	24.0
734.41724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00312	0.4
57.07071	0.9
63.64965	0.3
67.05493	0.8
69.07076	0.4
69.30750	3.2
71.08632	0.7
79.05473	0.5
81.07062	0.4
85.10195	0.5
87.04467	0.7
89.06041	4.0
94.06581	1.5
98.21512	0.8
103.05495	0.6
108.04522	0.8
109.10177	0.4
118.06549	0.5
131.04953	1.5
133.08600	2.3
138.05489	0.5
145.45508	0.4
154.65726	0.4
160.07738	0.3
167.05438	0.4
177.11267	1.0
180.77762	0.4
193.99881	0.4
194.08295	0.8
195.09230	0.7
197.10779	1.0
204.06549	0.9
207.09206	0.7
208.09958	0.7
209.10747	1.0
211.08705	0.7
211.12389	0.8
213.10329	0.4
221.10762	2.7
222.11548	0.6
223.08725	1.5
223.12282	1.9
224.12915	0.4
225.10246	2.8
233.10693	2.2
234.11588	1.1
235.12215	1.8
236.13022	0.6
237.10294	1.6
238.32539	0.4
239.11877	0.7
245.10530	0.4
247.12434	0.5
249.10287	2.3
251.08188	2.8
251.11853	1.4
263.11673	0.5
265.09897	0.7
266.10901	0.4
277.07059	0.4
277.09927	1.0
279.11365	0.4
288.03818	0.4
301.27515	0.4
309.08975	0.6
311.10803	0.5
324.15179	0.5
325.12201	0.5
337.12189	0.7
338.12857	0.7
340.14307	0.6
350.12878	0.5
352.10931	0.5
352.14755	0.7
356.14401	0.4
368.14072	0.7
375.15973	0.8
382.15720	0.6
388.17834	0.4
391.19537	0.6
396.13568	0.7
401.14154	1.0
402.14386	0.5
403.14847	1.8
403.20047	0.8
404.16467	0.8
405.16998	0.7
410.15112	0.5
414.14914	0.6
415.15433	2.1
416.16592	1.6
417.17072	2.9
418.18195	1.4
419.18872	1.4
428.16071	0.6
429.17285	1.8
430.17880	0.6
431.14441	1.1
431.19836	1.8
432.19955	0.9
433.20724	2.2
441.17621	0.6
443.19086	0.6
444.19714	0.4
445.16132	1.0
445.21185	0.8
446.16983	0.8
446.21915	0.6
447.17892	1.9
460.18958	0.8
461.19894	7.0
462.20575	1.4
471.18011	0.8
473.19928	1.7
474.17392	0.5
475.17084	0.6
475.22461	0.5
476.18460	0.8
487.17410	0.6
488.18610	1.4
489.19168	17.1
490.19675	4.2
491.20074	0.9
501.19330	2.2
502.19897	0.7
503.20901	1.4
505.21814	0.6
517.18903	1.2
519.23730	0.4
521.21765	0.8
529.18597	0.5
533.21735	1.2
535.23383	0.7
543.20795	0.5
547.23132	1.4
548.24048	1.1
549.21307	14.6
550.21893	0.6
561.21259	2.2
563.23047	1.1
575.22858	8.3
576.23651	5.6
577.24426	5.1
603.22681	0.4
604.23248	2.1
621.23389	0.8
635.25049	13.3
636.25818	100.0
637.25946	4.1
655.28833	0.5
683.28534	0.7
715.31427	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	733.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.9
53.03953	10.7
55.01860	2.3
55.05275	1.6
55.05515	25.2
57.07050	1.2
59.04989	1.7
67.05486	3.0
69.03431	1.4
69.07053	1.4
71.04967	1.5
75.63548	1.0
77.03914	2.5
79.05508	5.8
81.03396	2.4
81.07042	3.7
83.04486	1.7
83.04987	38.0
91.05492	13.6
93.07037	7.0
95.04980	15.1
95.08606	5.5
103.05470	12.9
105.03399	100.0
105.04527	5.5
105.07030	16.6
106.03772	1.6
107.04947	1.8
107.08590	6.6
108.83822	1.3
109.06508	3.6
115.05450	3.9
117.07030	8.0
119.04917	2.0
119.07805	1.4
119.08588	14.9
121.06477	3.1
121.10130	2.7
123.08108	2.1
128.06203	3.4
129.07030	6.2
131.04935	19.7
131.08595	11.1
133.06488	6.6
133.10141	11.6
135.08031	6.4
141.06981	1.4
142.07765	4.6
143.08566	8.8
145.06534	5.3
145.10164	9.4
147.08051	8.3
147.11691	1.3
149.05966	3.1
149.09590	7.1
151.07507	1.8
154.07724	2.8
155.08557	7.1
156.09369	7.1
157.06483	1.9
157.10141	15.7
159.08104	5.6
159.11707	3.8
161.05952	6.1
161.09596	5.3
163.07518	2.3
163.11150	4.3
165.07051	1.6
166.07713	1.5
167.08545	3.2
168.09306	1.7
169.10149	8.5
170.10945	5.2
171.08067	7.4
171.11708	22.6
173.09665	8.4
173.13318	1.4
175.07500	5.0
175.11073	1.7
177.09128	1.8
179.07021	4.0
179.08430	2.1
180.09227	2.1
181.10089	4.7
181.96790	1.1
182.10878	1.6
183.08029	3.1
183.11696	17.7
184.08881	1.8
184.12103	1.4
185.05934	1.4
185.08235	1.1
185.09605	7.1
185.13297	14.6
187.07542	1.2
187.11145	3.3
193.08592	2.3
193.10120	3.4
193.68814	1.2
195.11772	5.6
197.09628	5.3
197.13278	7.0
198.10353	2.5
199.07500	1.7
199.11192	13.3
201.09079	2.9
201.12729	2.7
203.10652	3.0
204.09521	1.4
205.08469	1.7
205.10191	1.7
206.10912	2.8
207.11716	5.1
207.13599	1.2
209.09537	1.7
209.13318	2.1
211.07666	1.6
211.11131	6.9
213.09164	2.6
213.12756	22.5
217.08391	1.6
217.10236	2.5
217.12193	1.8
218.10979	1.4
219.11697	4.0
220.12428	1.8
221.09657	2.0
221.13264	3.3
223.11311	1.9
225.09024	1.4
225.12772	2.4
227.10663	4.5
229.10143	2.5
229.12218	3.8
230.10899	2.9
231.11699	3.3
231.13695	2.2
232.12386	1.4
233.09492	1.3
233.13254	3.9
234.14003	1.8
235.11200	2.8
235.14842	3.1
237.12822	2.3
239.10690	1.8
241.12265	3.1
243.11632	4.3
243.13864	3.8
244.12462	4.1
245.13391	3.1
245.15421	8.2
246.14014	2.2
247.11137	2.4
247.14748	3.5
248.11769	1.6
249.09171	1.3
249.12697	2.4
249.16399	4.2
251.10681	1.3
254.10957	1.7
255.11525	1.8
255.13881	2.3
256.12366	1.5
257.13214	4.1
258.14105	3.9
259.15100	5.4
260.11923	2.1
260.15665	1.5
261.12653	3.2
261.16452	2.1
262.13513	1.6
265.12277	1.5
270.14078	2.7
271.10974	1.5
271.14807	2.0
272.15393	2.5
273.14587	5.2
274.16995	1.5
275.14334	2.0
275.17783	1.4
276.15271	2.0
277.15811	1.7
281.12701	1.5
283.14697	1.6
284.15256	1.5
285.12784	2.4
285.16287	5.2
287.14490	2.5
287.17917	2.4
289.15735	2.6
291.12460	1.3
291.17236	1.7
298.13632	1.7
299.14569	1.7
299.17825	2.5
300.15036	2.2
301.16006	2.6
302.16620	1.6
303.13858	2.1
303.17374	4.9
313.15857	4.1
315.13873	2.4
315.17422	3.3
316.14496	1.4
317.15274	2.0
317.19077	3.2
319.16907	1.8
327.17410	2.8
329.15280	1.6
329.19147	2.7
331.13324	1.7
331.16879	8.6
333.18100	2.4
335.16428	1.5
341.15347	2.4
343.16907	2.0
345.14749	1.7
345.18451	6.1
347.16534	1.9
349.17963	4.6
351.19348	1.5
355.16965	3.7
357.18652	1.9
359.16473	7.3
361.18057	2.4
363.19489	4.6
373.18030	9.1
375.19522	2.3
377.17230	5.8
377.21469	2.3
387.19470	2.1
389.17102	2.3
391.19223	11.5
395.22205	1.8
401.17493	6.9
405.20544	5.1
409.20004	2.5
411.21835	2.1
419.18622	8.9
421.20163	1.9
423.21719	5.7
433.20270	14.1
451.21207	25.2
465.22833	1.7
469.21896	2.7
479.20352	2.7
493.22003	5.1
511.23013	4.6
541.21863	1.9
573.24445	4.2
633.26471	3.3
715.28870	1.8
733.28906	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	733.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.2
53.03939	2.3
55.01878	3.1
55.05508	2.4
65.03960	0.7
67.05507	3.4
69.03436	6.3
71.55270	0.9
74.09698	0.5
77.03928	1.1
79.05505	5.7
81.03418	3.0
81.07051	1.6
83.04989	4.9
85.02872	0.8
91.05492	6.1
93.07047	3.0
95.01321	1.2
95.04979	9.9
95.08612	2.6
97.02901	1.3
103.05481	48.6
105.03410	6.0
105.04508	1.7
105.07047	11.9
107.04964	2.5
107.08595	1.4
109.06535	2.4
109.10194	0.9
110.03598	0.6
111.04412	0.9
115.05441	3.8
117.07043	4.3
119.04926	1.9
119.08595	4.9
119.99742	0.6
121.02891	0.7
121.06511	2.8
123.04417	1.8
123.08070	1.2
125.06013	2.0
128.06239	2.6
129.07037	4.2
131.04941	100.0
131.08586	4.5
132.05231	1.5
133.06508	12.8
133.10123	1.9
135.04405	1.2
135.08060	2.9
137.05965	2.2
137.09679	0.7
141.07021	2.3
142.07782	2.9
143.08580	7.3
144.09273	0.6
145.06497	4.8
145.10132	1.8
147.04387	0.9
147.08066	2.9
149.06024	2.1
149.09618	1.2
151.07562	1.4
153.06976	0.7
154.07785	1.7
155.08554	3.0
156.09334	3.8
156.22462	0.6
157.06499	1.8
157.10141	4.4
158.07289	0.9
159.04500	1.0
159.08069	4.7
159.11717	2.0
161.06004	20.7
161.09654	2.3
163.07570	4.9
163.11143	0.9
165.05698	0.7
165.07011	2.3
167.08623	2.1
169.06493	3.5
169.10144	6.4
170.07280	1.0
170.10922	2.9
171.08075	3.2
171.11720	9.8
172.08870	1.3
173.06042	1.9
173.09686	3.7
173.13281	1.1
175.07593	1.7
175.11212	0.9
177.09065	1.3
178.07745	0.9
179.07066	1.9
179.08614	2.7
181.06500	0.7
181.10149	1.5
182.07297	1.4
182.10953	0.8
183.08067	4.1
183.11728	4.5
184.08873	2.6
185.06030	1.7
185.09654	5.3
185.13293	2.4
187.07578	2.5
187.11244	2.9
189.05457	1.0
189.09113	1.0
191.08740	0.8
193.10165	1.1
195.08080	2.2
195.11746	2.4
196.08846	1.4
197.06001	0.9
197.09624	9.8
197.13275	0.8
198.10371	1.5
199.07545	3.8
199.11214	11.9
200.11642	0.7
201.09218	1.7
201.12744	0.8
202.07841	1.0
203.10754	0.6
205.08536	1.4
205.10289	0.9
207.08067	1.2
207.11765	1.5
208.08881	1.1
209.09648	2.9
211.07565	1.4
211.11246	2.6
213.09128	5.1
213.12627	3.2
215.07079	1.5
215.10683	3.5
217.08582	1.5
217.10371	0.9
218.10789	0.7
220.12401	0.9
221.09677	1.0
221.13248	1.0
223.07567	2.3
223.11223	1.9
224.08380	0.9
225.09085	12.5
227.07114	0.8
227.10655	1.5
229.08456	0.8
229.12265	0.8
230.11008	0.7
231.10056	1.2
231.11964	0.9
233.09787	1.1
233.13411	0.9
235.07559	1.4
237.09102	1.2
237.12584	0.8
237.16362	0.8
239.10732	1.5
241.08542	5.2
242.11099	0.8
243.06406	0.8
243.09978	3.5
245.08041	1.5
245.13341	1.1
247.09538	1.4
249.09135	1.0
249.12904	1.1
251.06953	0.8
251.10898	1.2
251.14186	0.7
253.08603	2.0
255.10109	2.9
257.08047	10.2
257.11783	2.5
259.09375	3.8
261.12955	0.8
263.10828	1.0
263.14401	0.9
264.40588	0.7
267.10263	2.0
269.08344	0.8
271.09409	1.2
273.11102	1.5
273.14938	0.7
275.14511	0.7
277.15936	0.9
279.10281	0.9
283.09521	1.2
285.11093	5.5
287.14401	1.2
288.15430	0.9
289.12213	0.8
289.15677	0.8
293.11707	0.8
293.15289	0.9
298.13422	0.8
299.14175	1.0
301.10696	4.6
301.15811	1.0
303.12332	1.3
303.17505	1.0
307.09622	1.1
313.15863	0.9
315.13766	1.1
317.11719	0.7
317.15283	1.5
319.12518	0.8
325.12149	0.7
329.15399	1.2
331.13348	1.1
331.16971	1.5
333.18729	1.0
339.13382	0.8
341.15475	0.9
343.13260	0.8
347.16568	1.2
349.17917	1.1
351.19351	0.9
355.13263	1.0
357.14767	1.9
359.16415	1.6
361.14157	0.8
369.13400	0.7
371.14844	2.4
373.14249	1.5
373.18213	1.3
375.15863	1.7
377.17520	1.3
381.20822	0.8
385.14432	3.4
387.14575	5.9
389.16418	0.8
391.15173	1.0
395.18607	1.5
401.13666	1.7
403.15152	3.4
405.21002	0.7
409.20267	1.0
413.13812	1.1
417.17377	0.8
419.14612	1.2
423.21802	1.4
427.15372	1.0
431.14963	2.8
433.16592	2.0
435.17938	1.2
445.16443	4.1
449.16022	2.2
451.17487	2.2
453.19449	0.7
463.17526	11.7
469.22116	1.3
481.18488	5.2
483.23907	0.8
489.18939	1.0
501.24536	1.0
531.20020	2.6
535.19336	1.0
537.21222	3.2
549.21295	7.8
567.22272	9.8
569.27386	2.2
583.28998	0.9
585.22675	1.3
601.29706	1.0
655.25513	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.6
53.03943	3.8
55.01861	3.5
67.05493	2.8
69.03435	8.6
79.05497	4.8
81.03414	3.0
81.07033	1.0
83.04947	0.8
86.93990	0.7
91.05484	6.2
93.07037	3.1
95.04967	10.1
95.08628	1.7
97.02892	1.0
103.05471	59.5
105.04510	1.2
105.07039	12.1
107.04955	2.3
107.08580	1.1
109.06544	1.7
115.05468	3.6
117.07015	3.6
119.08559	2.7
121.06496	2.3
123.04439	1.3
125.05970	1.1
128.06215	3.2
129.06973	4.7
131.04930	100.0
131.08568	4.1
133.06487	11.3
135.04430	1.7
135.08040	2.7
137.05984	1.6
141.06970	3.6
142.07747	2.3
143.08582	5.8
145.06470	5.7
145.10165	1.3
147.08023	1.7
149.05994	2.1
149.10980	0.8
151.07510	1.0
153.06938	1.0
154.07785	3.1
155.08557	3.9
156.09343	3.4
157.06519	1.8
157.10138	3.3
158.07346	1.0
159.08061	4.3
159.11719	1.4
161.05981	21.5
161.09663	1.5
163.07532	5.2
165.06999	2.6
166.07730	1.1
167.08566	1.6
169.06508	4.1
169.10150	8.0
170.10880	1.3
171.08055	4.6
171.11758	4.7
172.08839	1.9
173.05994	2.5
173.09604	2.0
175.07509	1.9
177.05659	1.0
177.09102	1.7
178.07874	0.9
179.07077	1.8
179.08545	2.4
179.35236	1.0
181.10144	1.4
182.07225	1.4
183.08038	5.3
183.11641	1.3
184.08839	3.2
185.05875	1.0
185.09619	5.7
187.07565	3.9
187.11195	1.5
189.09050	1.7
191.06944	0.9
193.10078	1.8
195.08066	2.2
196.08812	1.4
197.06036	1.9
197.09650	9.8
197.13298	0.8
198.10397	0.9
199.07629	2.1
199.11180	14.3
201.09204	2.2
202.19888	0.7
203.07024	1.6
205.08487	1.7
207.08145	2.0
209.09618	2.1
211.07541	3.2
211.11058	1.3
213.09055	6.6
215.06995	1.8
215.10638	4.1
217.08627	2.4
219.11903	1.1
221.09564	1.9
222.10335	0.8
223.07538	2.1
223.11185	2.0
225.05615	1.1
225.09135	13.2
227.10709	2.2
229.08601	2.6
229.12251	1.0
233.09796	1.3
235.07443	2.3
235.09505	1.3
237.09250	1.4
239.10637	2.2
241.08522	6.8
243.06523	1.1
243.10127	3.7
245.07867	1.0
247.09576	2.0
249.09007	1.9
251.10625	1.2
253.08492	1.8
255.10094	1.6
257.08087	13.1
257.11737	2.4
259.09415	3.9
261.12607	1.0
265.08734	1.1
267.10181	1.8
271.09543	1.3
273.11295	1.5
279.10052	1.1
283.09695	1.5
285.11227	6.5
297.11627	1.5
300.11545	0.9
301.10559	4.3
303.12201	1.8
307.09659	0.8
311.71161	0.9
313.12137	1.0
315.13760	1.7
327.13440	1.0
329.15369	2.0
331.16666	1.1
339.13324	0.8
343.13104	1.4
350.10812	0.9
357.14828	2.7
359.16165	1.0
367.13336	1.4
371.14728	2.7
373.14471	1.5
375.15869	1.3
377.17700	1.7
385.14221	2.8
387.14450	5.6
391.15268	1.6
395.13223	0.8
395.18527	1.6
401.13708	1.3
403.15448	4.7
405.17065	1.0
407.18069	1.1
413.13837	1.5
417.17062	1.3
419.14700	1.4
421.16290	1.1
431.14920	2.0
433.16177	1.7
435.18021	1.7
445.16531	3.6
449.15820	2.0
451.17303	3.5
463.17441	10.0
481.18530	6.0
531.20227	1.0
537.20923	2.4
549.21326	8.0
560.52863	0.9
567.22357	7.9
585.23370	1.2
611.22668	0.9
653.92487	0.8
697.25702	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
53.03945	3.4
55.01868	1.4
55.05519	3.1
67.05505	1.6
69.03436	3.8
69.07078	0.5
70.98837	0.9
77.03925	1.2
79.05496	3.1
81.03428	2.2
81.07079	0.7
83.04964	4.2
91.05482	4.9
93.07053	1.3
95.01302	0.6
95.04968	6.5
97.02882	0.7
102.04678	0.8
103.05474	59.4
104.05810	1.0
105.03396	6.9
105.04517	1.2
105.07052	6.0
107.04964	1.3
107.08611	1.0
109.06547	1.0
111.04423	1.2
115.05458	2.0
117.07012	3.6
119.04951	1.1
119.08593	4.8
121.06499	1.9
121.10155	0.6
123.08038	0.5
125.06019	0.7
128.06235	2.1
129.07025	2.8
131.04935	100.0
131.08572	3.6
132.05231	2.5
133.06487	4.8
133.10127	1.6
135.04428	0.8
135.08075	1.5
137.05989	0.9
139.03960	0.6
141.07036	2.0
142.07813	2.4
143.08568	4.8
145.06517	3.0
145.10127	2.2
147.08023	2.3
149.05994	2.0
149.09579	0.8
151.07558	1.1
153.05504	0.9
153.07019	1.4
154.07776	1.5
155.08540	1.9
156.09344	3.5
157.06532	1.7
157.10121	3.8
158.07262	1.1
159.04414	1.0
159.08061	3.9
159.11732	2.2
160.08859	0.5
161.05998	9.9
161.09590	1.5
163.07567	3.4
165.06981	1.1
166.07695	1.0
167.08609	1.7
168.09380	0.8
169.06479	1.8
169.10129	4.7
170.10927	1.2
171.08064	2.5
171.11707	5.5
172.08824	0.9
172.12326	0.6
173.05974	1.3
173.09650	2.8
173.13293	0.8
175.07579	1.9
177.05455	1.2
177.09094	3.2
178.07803	0.8
179.07054	1.4
179.08586	1.3
181.10104	2.0
182.07278	0.8
182.11037	0.5
183.08078	2.1
183.11736	3.9
184.08833	2.1
184.12483	0.7
185.06003	0.8
185.09653	3.5
185.13252	2.0
186.10268	0.7
187.07616	2.5
187.11198	2.1
189.05502	0.8
189.09132	1.4
191.08578	0.7
191.10670	0.7
192.09355	0.9
193.08583	1.3
193.10188	1.4
195.08052	1.2
195.11722	1.2
197.09630	4.7
198.10408	0.7
199.07568	1.5
199.11188	8.3
200.11748	0.7
201.09143	1.8
201.12752	0.8
203.07013	1.0
203.10794	0.6
205.08585	1.2
205.10275	1.1
207.08076	0.9
207.11726	1.2
209.09604	2.5
209.13297	0.7
211.07587	1.1
211.11177	3.1
213.09117	2.4
213.12784	1.8
215.08781	0.8
215.10725	1.4
216.09358	0.9
217.08621	2.4
219.10036	0.8
220.12573	0.7
221.09631	1.2
221.13210	1.0
223.07635	1.1
223.11195	1.1
224.11964	0.5
225.05630	0.7
225.09097	7.1
225.12709	0.6
226.09900	0.6
227.10712	5.5
229.10324	0.7
229.12347	1.3
233.13414	1.0
235.11380	0.8
237.09099	0.9
237.12662	1.1
239.10719	1.3
241.08479	3.0
241.12271	1.0
243.06587	0.8
243.10081	1.1
243.13922	0.9
245.07974	1.1
245.11668	1.1
245.15450	0.7
246.10475	0.6
247.09526	1.2
247.14636	0.6
251.10889	0.9
251.14009	0.6
253.08595	0.8
257.08047	5.0
257.11313	0.6
259.09781	1.9
260.11899	0.7
261.12961	0.6
261.16397	0.9
263.10825	1.0
263.14438	0.7
265.12390	0.5
265.15689	0.6
267.09933	0.9
269.11902	0.6
270.10202	0.7
270.14001	0.8
271.09631	1.0
275.10681	0.7
277.12048	0.6
281.11682	0.6
283.10880	0.5
283.14490	0.6
284.11865	0.6
285.11087	3.3
287.12891	2.2
289.12155	0.8
298.13852	0.6
301.10535	2.5
301.74963	0.6
303.12537	0.7
303.17410	0.7
313.15927	0.8
317.15326	1.2
321.14978	0.7
327.13611	0.9
329.15344	0.7
331.16837	2.0
333.15060	0.6
339.13608	0.6
341.15356	1.0
345.14746	0.6
345.18668	1.3
347.16428	0.6
349.18146	0.9
357.14981	1.0
359.16226	1.6
367.13455	0.7
369.14551	0.8
371.15219	1.5
373.18222	1.1
375.16089	0.7
377.17651	1.2
385.14401	1.4
387.14896	2.2
389.15979	0.5
401.17648	1.4
403.15289	0.9
405.16721	1.1
407.17325	0.7
415.15057	0.7
419.18735	0.8
431.14703	0.7
433.20218	1.9
435.17682	0.8
445.16693	1.5
451.16754	0.9
463.17337	3.8
465.19254	2.3
481.19031	2.5
493.22287	0.7
519.20044	0.7
525.25452	0.7
549.21173	1.7
567.22198	4.0
585.23602	1.3
587.29333	0.5
615.25690	0.6
673.26709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.4
55.01878	8.0
55.05521	18.2
67.05495	4.5
68.48780	1.5
68.77760	1.5
69.03426	3.4
71.55350	1.8
77.03944	1.9
79.05483	5.8
81.03399	6.0
81.07035	4.3
83.04989	30.2
91.05477	17.0
93.07050	7.1
95.04980	12.8
95.08623	3.9
97.10153	1.4
103.05465	5.0
105.03398	100.0
105.04517	4.6
105.07053	12.4
107.04956	5.2
107.08595	3.7
109.06506	5.3
109.10164	2.4
109.80007	1.6
115.05456	4.6
117.04752	1.4
117.07014	10.8
119.08600	17.7
121.06488	3.6
121.10175	3.3
128.06227	4.6
129.07025	13.6
130.07814	1.6
131.04965	9.3
131.08574	10.9
133.10156	11.6
135.08028	4.2
141.06970	4.8
142.07774	6.6
143.08571	12.9
145.06494	11.0
145.10153	11.9
147.08051	47.3
147.11752	1.9
149.09613	4.8
153.07079	1.9
155.08554	4.5
156.09337	6.7
157.10139	19.4
159.08049	24.6
159.11682	3.4
161.09615	19.8
163.07536	3.6
165.07079	3.5
166.07680	1.8
167.08586	2.2
169.10115	7.5
170.10922	3.0
171.08066	5.7
171.11694	28.8
173.05977	4.7
173.09648	13.3
175.07558	13.9
175.11143	2.3
179.08513	2.5
180.09366	2.8
181.10152	3.1
182.07335	1.8
183.08064	1.7
183.11705	15.3
184.08850	2.5
185.09647	9.8
185.13254	20.1
187.07584	2.9
187.11166	5.5
189.09111	2.3
191.10716	4.3
193.10161	2.0
195.07971	2.1
195.11705	6.3
197.09647	6.0
197.13217	6.0
198.10367	2.0
199.11163	14.7
200.12042	2.0
201.09053	1.7
203.10634	2.0
206.10866	2.3
207.11815	3.9
209.09636	2.2
209.13252	2.3
211.11145	4.1
213.09123	2.5
213.12732	13.8
215.10625	5.0
217.08591	3.7
217.12344	4.3
219.11717	1.6
221.13258	3.5
223.11192	4.9
227.10764	2.1
227.34740	1.7
229.10167	2.6
229.12216	6.9
230.10985	1.5
231.11742	2.6
231.13820	27.2
233.09682	2.1
233.13242	2.5
235.11147	3.3
235.14812	2.8
237.12698	3.0
239.10678	3.3
241.12198	12.5
244.12404	4.2
245.11749	4.5
247.14931	2.2
251.10582	3.5
257.13223	3.5
259.10898	3.2
259.13248	22.2
261.12683	2.8
263.14246	2.6
265.12308	2.1
271.14728	2.5
273.12756	3.1
279.10062	1.9
283.11154	2.8
283.14966	2.0
285.12787	3.8
287.14261	4.0
289.15936	1.8
297.12717	3.8
298.13562	2.5
299.14297	4.1
299.17783	2.2
301.15744	2.9
303.13763	2.7
311.14310	3.4
312.15121	4.1
313.15863	4.6
314.12994	1.6
315.17456	3.3
317.15274	3.3
317.19025	3.4
326.17087	2.2
327.13885	1.8
327.17386	6.7
328.18048	2.5
329.15280	5.1
341.18945	4.2
345.18622	4.7
347.16434	3.2
357.18619	2.5
359.20038	6.3
369.18546	12.1
375.19583	7.4
377.21173	11.0
387.19586	36.4
397.20413	2.1
405.20612	59.9
423.21521	5.7
447.21625	9.2
465.22757	24.1
491.22290	1.8
509.23145	4.4
529.40747	1.6
547.27008	2.4
565.28198	8.0
569.25476	8.1
587.26031	3.8
669.30957	14.1
687.31244	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	732.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.4
55.01878	8.0
55.05521	18.2
67.05495	4.5
68.48780	1.5
68.77760	1.5
69.03426	3.4
71.55350	1.8
77.03944	1.9
79.05483	5.8
81.03399	6.0
81.07035	4.3
83.04989	30.2
91.05477	17.0
93.07050	7.1
95.04980	12.8
95.08623	3.9
97.10153	1.4
103.05465	5.0
105.03398	100.0
105.04517	4.6
105.07053	12.4
107.04956	5.2
107.08595	3.7
109.06506	5.3
109.10164	2.4
109.80007	1.6
115.05456	4.6
117.04752	1.4
117.07014	10.8
119.08600	17.7
121.06488	3.6
121.10175	3.3
128.06227	4.6
129.07025	13.6
130.07814	1.6
131.04965	9.3
131.08574	10.9
133.10156	11.6
135.08028	4.2
141.06970	4.8
142.07774	6.6
143.08571	12.9
145.06494	11.0
145.10153	11.9
147.08051	47.3
147.11752	1.9
149.09613	4.8
153.07079	1.9
155.08554	4.5
156.09337	6.7
157.10139	19.4
159.08049	24.6
159.11682	3.4
161.09615	19.8
163.07536	3.6
165.07079	3.5
166.07680	1.8
167.08586	2.2
169.10115	7.5
170.10922	3.0
171.08066	5.7
171.11694	28.8
173.05977	4.7
173.09648	13.3
175.07558	13.9
175.11143	2.3
179.08513	2.5
180.09366	2.8
181.10152	3.1
182.07335	1.8
183.08064	1.7
183.11705	15.3
184.08850	2.5
185.09647	9.8
185.13254	20.1
187.07584	2.9
187.11166	5.5
189.09111	2.3
191.10716	4.3
193.10161	2.0
195.07971	2.1
195.11705	6.3
197.09647	6.0
197.13217	6.0
198.10367	2.0
199.11163	14.7
200.12042	2.0
201.09053	1.7
203.10634	2.0
206.10866	2.3
207.11815	3.9
209.09636	2.2
209.13252	2.3
211.11145	4.1
213.09123	2.5
213.12732	13.8
215.10625	5.0
217.08591	3.7
217.12344	4.3
219.11717	1.6
221.13258	3.5
223.11192	4.9
227.10764	2.1
227.34740	1.7
229.10167	2.6
229.12216	6.9
230.10985	1.5
231.11742	2.6
231.13820	27.2
233.09682	2.1
233.13242	2.5
235.11147	3.3
235.14812	2.8
237.12698	3.0
239.10678	3.3
241.12198	12.5
244.12404	4.2
245.11749	4.5
247.14931	2.2
251.10582	3.5
257.13223	3.5
259.10898	3.2
259.13248	22.2
261.12683	2.8
263.14246	2.6
265.12308	2.1
271.14728	2.5
273.12756	3.1
279.10062	1.9
283.11154	2.8
283.14966	2.0
285.12787	3.8
287.14261	4.0
289.15936	1.8
297.12717	3.8
298.13562	2.5
299.14297	4.1
299.17783	2.2
301.15744	2.9
303.13763	2.7
311.14310	3.4
312.15121	4.1
313.15863	4.6
314.12994	1.6
315.17456	3.3
317.15274	3.3
317.19025	3.4
326.17087	2.2
327.13885	1.8
327.17386	6.7
328.18048	2.5
329.15280	5.1
341.18945	4.2
345.18622	4.7
347.16434	3.2
357.18619	2.5
359.20038	6.3
369.18546	12.1
375.19583	7.4
377.21173	11.0
387.19586	36.4
397.20413	2.1
405.20612	59.9
423.21521	5.7
447.21625	9.2
465.22757	24.1
491.22290	1.8
509.23145	4.4
529.40747	1.6
547.27008	2.4
565.28198	8.0
569.25476	8.1
587.26031	3.8
669.30957	14.1
687.31244	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	732.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.9
55.05517	40.5
58.72180	1.8
59.01585	1.9
65.03923	2.1
67.05486	3.4
69.07057	2.6
69.43115	14.3
74.06145	1.9
77.03933	2.0
79.05482	6.3
80.53682	1.9
81.07062	3.7
83.04984	81.2
86.53842	1.8
91.05491	17.0
93.07024	6.6
95.04966	9.3
95.08579	3.0
98.20735	2.8
101.83930	1.8
101.89267	2.3
103.05478	58.6
104.05799	14.5
105.03405	3.1
105.07045	15.0
107.08578	3.5
109.06529	2.6
115.05462	4.2
116.06223	2.0
117.07001	17.6
119.08598	18.8
123.04358	2.0
128.06230	5.1
129.07011	11.6
131.04938	100.0
131.08568	12.8
132.05260	28.6
133.06483	5.6
133.10162	15.1
135.08051	6.2
141.06941	3.9
142.07808	6.0
143.08546	12.8
145.06505	9.7
145.10162	9.4
146.99995	1.9
147.08026	8.3
147.11661	1.9
149.09665	5.3
154.07693	2.5
155.08577	5.6
156.09343	9.9
157.10150	24.7
158.10571	2.0
159.08067	7.1
159.11728	3.4
161.05940	4.7
161.09633	10.6
162.06334	2.5
163.07555	15.1
163.11183	3.1
165.07005	5.1
166.07721	2.1
167.08632	3.0
169.06348	2.6
169.10173	15.7
170.10851	8.1
171.08015	7.6
171.11690	47.1
172.12154	2.2
173.05908	2.4
173.09610	9.0
173.13324	3.4
175.07530	5.4
177.09091	8.5
179.08545	5.2
180.09167	3.4
181.10144	7.1
183.07982	3.5
183.11713	24.6
184.08789	4.3
185.09622	8.0
185.13264	38.1
187.07535	4.2
187.11200	6.8
189.05508	4.7
189.09140	3.7
191.07030	3.2
193.10088	4.4
194.10782	2.0
195.11719	10.3
197.09641	8.2
197.13269	6.7
198.10304	5.8
199.07494	3.5
199.11203	30.3
201.09171	3.3
203.06921	2.2
203.10553	2.3
205.08582	2.8
205.10344	2.2
205.12245	2.4
207.08046	2.4
207.11719	5.1
209.09625	2.7
209.13086	3.3
211.11189	6.8
213.09201	4.7
213.12761	35.6
215.10684	3.0
218.08847	2.4
218.10893	2.6
219.11713	4.4
221.09575	2.5
221.13341	3.1
223.11208	6.1
225.09094	8.8
226.09488	6.1
227.10748	3.4
229.12285	3.9
231.10014	3.0
231.11920	2.4
231.13853	4.3
232.12555	2.2
233.13181	5.6
234.14137	4.2
237.12781	2.9
239.10632	5.1
241.08363	2.9
241.12186	6.2
243.13850	4.5
245.09586	3.4
245.13264	3.3
245.15407	31.1
246.10504	2.0
246.13841	3.1
247.11263	3.1
247.14853	4.0
249.12778	2.9
255.13814	7.4
256.12344	2.7
257.13321	4.1
258.14178	2.7
261.12744	2.6
269.13303	4.0
271.11237	2.9
271.14731	5.5
273.14828	19.3
277.12231	2.3
283.14709	4.4
284.11981	1.9
285.16199	3.2
287.17844	2.5
289.12396	2.9
289.15869	2.4
291.13736	3.2
297.16513	5.0
299.14206	3.6
303.13766	4.0
311.17740	2.2
313.12283	5.4
315.13644	5.1
315.17358	2.1
317.15436	3.7
319.16968	3.0
327.13632	4.3
328.14679	3.1
329.15210	4.6
331.13309	3.2
331.16986	5.4
333.18692	10.1
342.16187	2.8
343.16910	19.3
345.14792	2.6
345.18475	3.1
347.16232	3.4
347.20084	5.7
357.18497	25.8
361.17984	17.9
373.18073	8.7
375.19662	18.9
385.18045	23.1
403.14084	2.9
403.19092	39.8
405.20703	5.5
407.21982	12.3
411.22171	2.6
417.20651	24.1
421.19910	4.3
432.14896	2.3
435.21692	55.2
453.22778	7.0
463.21332	13.3
464.17883	2.8
481.22055	5.2
485.23178	2.5
495.23618	18.8
513.24353	2.6
517.26074	2.9
523.23016	8.9
541.24164	4.9
555.25232	3.3
566.21027	3.3
584.21906	4.8
623.28101	5.5
655.31073	2.7
732.27112	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	732.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.1
53.03941	2.5
55.01869	2.1
55.05507	3.3
65.90438	0.8
67.05494	2.6
69.03441	3.6
69.07063	2.2
70.06593	7.9
79.05495	3.0
81.03426	1.2
81.07055	2.1
82.02947	5.7
82.03352	0.9
83.01379	1.6
83.04990	5.0
84.04504	1.5
86.06074	7.5
87.04483	5.5
91.05494	5.3
93.07038	3.9
95.04980	6.4
95.08601	3.6
96.08143	1.6
97.06557	1.3
98.06059	30.0
102.04658	1.0
103.05470	54.6
104.05787	5.9
104.64529	0.7
105.03410	3.0
105.04580	1.1
105.07039	6.1
107.08599	3.3
108.98633	0.8
109.06503	1.6
109.10167	1.0
115.05441	2.9
117.07024	12.2
119.04931	1.0
119.08581	7.2
121.06501	1.6
121.10129	1.5
122.06023	4.4
123.08079	1.0
124.07614	4.1
128.06239	3.0
129.07071	4.1
131.04932	100.0
131.08574	8.1
132.05257	13.8
133.06506	2.5
133.10129	5.4
135.08063	2.0
137.06004	1.0
141.06996	2.1
142.07721	2.6
143.04962	1.8
143.08549	7.1
144.06612	1.3
144.07945	0.8
145.06491	6.6
145.10126	3.7
147.08051	3.5
147.11667	1.1
149.05975	1.6
149.09615	2.8
150.05472	5.9
153.07007	1.1
154.07829	1.1
155.08574	3.0
156.09337	4.1
157.06403	1.1
157.10129	6.2
159.08052	4.6
159.11707	3.1
161.06029	2.1
161.09605	5.6
162.09071	1.1
165.06999	2.2
167.08551	2.6
168.06570	6.4
169.10133	3.7
170.10818	1.8
171.08049	3.5
171.11708	9.2
172.08849	1.0
173.09695	4.4
173.13298	1.0
175.11256	0.8
177.09099	0.9
179.08578	2.7
179.10744	1.2
180.09390	1.3
181.10138	2.7
183.08061	3.0
183.11691	7.4
184.08701	1.6
185.09612	3.3
185.13280	7.8
187.07611	2.6
187.11250	1.6
189.05402	0.9
189.09128	1.3
189.12740	1.2
193.10147	3.4
194.10707	1.9
195.08133	1.4
195.11705	2.8
197.09680	4.5
197.13319	1.6
198.10289	3.4
199.07585	1.0
199.11166	7.5
200.10719	2.7
201.09114	1.2
201.12834	1.4
202.12308	5.2
205.10193	1.3
207.11639	2.5
209.09601	2.6
209.13313	1.3
211.11241	2.5
213.09245	1.6
213.12758	9.6
214.12352	1.0
215.06868	1.2
215.10507	1.6
216.07394	1.3
217.10292	1.6
218.08942	1.1
218.10938	1.1
219.11752	1.6
220.12262	1.9
221.09532	1.7
221.13284	2.0
223.11185	2.5
225.09062	2.4
228.10246	4.2
229.10213	1.2
229.12273	1.1
230.11845	5.9
231.11710	2.2
231.13882	2.7
232.12532	1.0
233.13364	2.4
234.14005	1.0
235.14847	2.3
237.09048	1.1
237.12772	1.8
237.38872	0.9
239.10762	1.5
241.12190	1.4
243.11731	1.9
244.12724	1.6
245.13287	2.5
246.11278	0.9
247.11386	1.7
247.14868	1.3
248.12883	9.2
249.08954	1.0
249.12817	1.2
256.09790	1.8
256.12518	0.9
257.08038	1.9
257.13202	1.8
258.08517	2.3
258.11157	1.1
258.14001	1.3
259.11160	1.5
259.13354	1.4
259.14966	1.7
260.12735	0.9
260.15482	1.4
261.12753	1.4
261.16333	1.3
262.14188	1.6
263.14346	2.0
265.19464	1.3
268.12747	1.1
269.13354	2.0
270.13953	1.1
271.14838	1.4
272.11893	0.8
273.16473	1.5
274.10764	3.3
274.13550	1.3
275.14374	2.6
277.12067	0.9
281.13275	1.1
282.14185	1.1
283.14877	1.1
285.12625	1.6
285.16394	1.4
287.14319	1.6
287.17990	1.1
289.15817	1.0
297.16318	1.3
298.13751	1.3
299.14105	1.5
301.11093	1.0
302.11102	1.3
302.16602	1.3
303.17413	1.7
305.15433	1.1
310.14212	1.4
311.17810	2.0
315.17258	1.1
319.16833	2.1
325.16101	1.0
327.17459	1.3
329.18881	2.1
339.17386	2.1
341.15323	1.1
347.16492	1.4
357.18420	4.4
359.20047	1.0
361.17825	1.1
367.17081	1.7
375.19598	1.2
385.18063	2.6
403.19327	1.3
424.22394	1.7
428.22433	1.5
430.24411	1.0
440.21933	1.5
442.23752	3.8
444.25589	1.4
452.22510	1.5
454.23450	1.2
458.23322	1.8
460.24710	2.6
470.23370	7.6
476.24838	1.6
478.25613	2.0
482.18774	1.5
488.24326	16.6
506.25464	17.7
524.26398	4.7
530.24860	1.0
538.27997	1.1
548.26453	9.4
566.27600	34.6
567.27765	1.7
584.28619	34.4
585.28510	1.6
610.26965	1.0
696.31409	1.0
714.32904	11.6
732.34088	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	731.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.7
53.03947	2.7
55.01883	4.1
62.02016	0.4
62.80050	0.4
67.05495	1.4
69.03420	0.7
77.03914	0.7
79.05503	5.5
81.03426	5.4
81.07053	1.4
83.04980	0.8
91.04968	0.8
91.05491	8.8
93.03464	0.5
93.07037	1.4
95.04990	4.1
95.08607	1.0
103.05477	51.1
105.04517	1.3
105.07037	4.7
107.04971	4.7
107.08602	1.7
109.06519	1.0
109.10139	0.5
115.05457	1.4
116.06259	0.8
117.07016	3.5
119.04935	0.8
119.08581	9.3
121.06521	1.4
121.10153	1.0
128.06305	1.4
129.07013	6.5
131.04939	100.0
131.08594	5.3
132.05267	1.0
133.06487	1.9
133.10144	3.5
135.08040	1.3
135.11673	0.4
141.06918	1.1
142.07771	1.4
143.08559	3.8
144.05814	0.5
145.06502	3.8
145.10083	3.1
147.08058	20.7
148.08417	0.7
149.06033	0.8
149.09627	9.7
149.10756	0.8
153.06943	0.6
154.07829	0.6
155.08595	0.8
156.09380	1.4
157.06546	0.6
157.10127	7.4
158.07359	0.6
159.08069	11.3
159.11707	11.2
161.09647	8.2
167.08627	0.5
169.10141	5.3
170.10960	0.7
171.08075	1.4
171.11687	7.2
171.13123	0.5
173.06068	1.0
173.09662	4.1
173.13258	3.8
175.07561	6.4
177.09132	0.7
179.08598	1.1
181.10184	1.1
182.10919	0.7
183.08102	0.5
183.11708	7.3
184.07343	0.6
185.09665	1.7
185.13319	0.8
187.11226	3.2
189.09143	1.2
191.10681	1.2
193.10245	1.6
194.11046	0.5
195.08102	0.5
195.11702	1.5
197.09637	2.7
197.13322	1.7
199.11192	2.9
201.12773	2.3
206.10913	0.6
207.11754	2.1
209.09686	1.5
209.13304	1.0
211.11252	2.2
211.14799	0.7
213.09248	0.5
215.08826	0.5
215.10736	1.9
217.10300	0.6
217.12216	1.4
219.11584	0.6
220.12566	0.8
221.13275	2.0
223.11166	1.1
223.14856	0.9
225.09369	0.6
225.12775	3.6
227.10780	1.3
229.12193	3.2
230.11067	0.5
231.11723	0.9
231.13835	1.3
232.12511	1.3
233.13307	0.8
233.15363	3.6
235.11166	1.1
235.14854	1.0
237.12875	1.1
239.14223	0.7
241.12456	0.6
243.13901	2.4
248.12001	0.6
249.12779	1.2
251.14381	1.0
257.13306	0.6
260.15588	0.5
261.12552	1.1
261.14767	2.2
263.14487	0.8
265.15616	0.6
271.14868	0.6
272.15683	0.6
273.12747	0.8
275.14355	0.6
284.12119	0.8
285.12555	1.0
289.15906	1.3
291.17432	0.8
299.14188	1.0
300.14960	1.0
301.15887	0.7
305.15463	0.7
305.19052	1.3
307.16818	0.5
313.15723	1.0
314.17053	0.7
315.17511	5.0
317.15494	0.6
325.15707	0.6
329.19125	1.8
331.17258	0.6
333.18448	5.1
343.16907	2.3
347.20102	3.4
349.17944	0.7
357.18549	2.0
361.18024	1.5
375.19598	6.6
379.22491	0.7
385.18051	1.5
389.21158	4.6
391.18765	1.0
403.14484	0.4
403.19110	2.4
405.20477	0.7
407.22253	12.5
417.20645	7.1
435.21698	9.5
581.11536	0.6
583.27228	1.0
655.09967	0.5
731.42609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.6
53.03949	1.6
55.01625	0.2
55.01880	1.9
55.05518	0.7
57.03431	0.4
59.04984	0.1
59.40959	0.1
63.02351	0.2
65.03949	0.5
67.05506	1.8
69.03434	1.0
69.07066	0.2
71.01342	0.1
71.04982	0.1
77.03895	1.1
79.05498	2.6
81.03419	1.9
81.07066	0.6
83.01357	0.4
83.04985	1.4
85.02898	0.4
91.05484	5.4
93.03419	0.2
93.07043	1.6
95.01327	0.6
95.04974	7.1
95.08611	0.5
97.02903	0.6
97.06546	0.4
102.04667	0.8
103.05472	53.0
104.05797	0.4
105.03391	0.5
105.04510	1.1
105.07036	7.5
107.04960	1.4
107.08633	0.7
109.02890	0.4
109.06522	1.4
111.04432	0.7
115.05453	2.8
116.06262	0.7
117.07029	2.9
119.04958	1.4
119.08572	1.9
121.02885	0.3
121.06502	2.2
121.10096	0.2
123.04424	1.4
123.08088	0.6
125.06000	1.1
128.06232	2.1
129.06999	3.3
130.07767	0.4
131.04933	100.0
131.08557	4.3
132.05206	1.0
133.02884	0.2
133.06494	6.2
133.10138	0.5
134.07289	0.2
135.04395	0.9
135.08038	1.7
137.02342	0.3
137.05968	1.4
139.03908	0.8
139.07579	0.2
141.06998	2.6
142.07780	2.1
143.04955	0.3
143.08572	3.5
144.05670	0.6
144.08122	0.3
145.02852	0.3
145.06482	4.1
145.10117	0.8
146.07263	0.4
147.04413	0.7
147.08040	1.6
149.05994	2.1
149.09624	0.4
151.04005	0.3
151.07530	0.8
152.06232	0.6
153.05470	0.4
153.06996	1.2
154.07773	1.6
155.04945	0.3
155.06090	0.3
155.08557	1.9
156.09338	1.4
157.06496	1.8
157.10135	2.2
158.07256	0.8
159.04465	0.5
159.08066	4.4
159.11743	0.4
160.08719	0.2
161.05986	9.2
161.09602	1.5
162.06773	0.6
163.03896	0.4
163.07549	3.5
164.08012	0.1
165.05504	0.6
165.07031	1.6
165.09152	0.2
166.07805	0.8
167.07202	0.2
167.08554	1.8
168.05794	0.3
168.09341	0.5
169.06497	2.3
169.07816	0.2
169.10130	2.7
170.07249	0.7
170.10915	0.6
171.04478	0.2
171.08052	2.5
171.11697	0.8
172.08824	0.7
173.05988	2.0
173.07332	0.2
173.09628	1.6
174.06732	0.2
175.03996	0.4
175.07527	1.3
175.11191	0.1
177.05496	0.6
177.09097	0.7
178.07768	0.9
179.07042	1.7
179.08588	2.2
180.09325	0.6
181.05069	0.2
181.06427	0.9
181.10126	1.5
182.07263	1.2
182.10867	0.2
183.08063	3.1
183.11639	0.9
184.08853	1.3
185.06000	1.3
185.09615	2.5
185.13260	0.1
186.06726	0.2
186.10376	0.4
187.03909	0.2
187.07564	3.6
187.11156	0.7
188.08296	0.2
189.05524	0.8
189.07204	0.2
189.09096	1.4
190.06306	0.2
190.07803	0.3
191.06992	0.5
191.08611	0.5
192.09349	0.6
193.06540	0.2
193.10146	1.1
194.07242	0.3
194.10921	0.4
195.06497	0.3
195.08063	2.0
195.11746	0.8
196.08855	1.0
197.05949	1.3
197.09624	5.0
197.13226	0.2
198.06747	0.3
198.10435	1.3
199.07550	2.4
199.11192	6.3
200.08234	0.2
200.11800	0.2
201.05510	0.4
201.09157	1.4
201.12587	0.1
202.07849	0.5
203.06937	1.2
203.08620	0.4
203.10660	0.3
204.09351	0.3
205.06654	0.2
205.08626	2.5
205.10222	0.5
206.07306	0.2
206.10936	0.5
207.06459	0.3
207.08087	1.4
207.10051	0.3
207.11719	0.7
208.08900	0.7
209.06122	0.3
209.09619	1.5
209.13213	0.4
210.06804	0.2
210.10353	0.4
211.07579	1.6
211.11211	1.0
212.08307	0.5
213.05544	0.5
213.09116	3.5
213.12469	0.2
214.09894	0.6
215.06960	1.5
215.08765	0.2
215.10522	1.3
216.07600	0.2
216.09393	0.4
216.11385	0.2
217.08534	2.8
217.10094	0.3
217.12048	0.3
218.10954	0.2
219.08101	0.3
219.10173	0.8
219.11797	0.6
220.08878	0.3
220.12511	0.3
221.06149	0.1
221.09697	0.9
221.13359	0.5
222.06749	0.2
222.10434	0.5
223.07593	1.6
223.11136	1.5
224.08315	0.5
224.11768	0.2
225.05492	0.8
225.09111	14.8
225.12779	0.5
226.09789	0.5
227.06976	0.9
227.10681	1.2
228.09438	0.2
229.08289	1.0
229.10263	0.5
229.12315	0.3
230.10884	0.5
231.06546	0.6
231.10120	0.5
231.11783	0.5
231.13661	0.1
232.08813	0.4
232.12473	0.3
233.07864	2.4
233.09624	0.4
233.13271	0.4
234.10419	0.5
234.14099	0.2
235.07515	1.3
235.09622	0.8
235.11711	0.8
235.14740	0.3
236.08293	0.3
236.11949	0.3
237.09105	1.3
237.12733	0.4
238.09848	0.3
239.06889	0.3
239.10735	0.9
240.07616	0.2
241.08490	3.5
241.12445	0.3
242.10910	0.5
243.06525	0.6
243.07761	0.2
243.09953	2.1
244.12476	0.3
245.07852	1.5
245.13271	0.5
246.10413	0.5
246.13997	0.2
247.07159	0.3
247.09509	4.1
247.14896	0.3
248.12025	0.3
249.09219	0.7
249.12830	0.6
251.06920	0.7
251.10602	0.9
251.14342	0.2
253.08316	1.2
253.12346	0.4
254.10991	0.2
255.09872	1.3
256.12430	0.4
257.07922	2.8
257.11426	1.4
258.14038	0.2
259.09360	1.9
259.14688	0.3
260.12042	0.5
261.09058	0.4
261.12689	0.6
261.16431	0.3
262.09836	0.2
263.06860	0.2
263.10693	1.0
263.14273	0.4
264.11478	0.2
265.08591	0.5
265.12222	0.4
267.10037	1.9
269.07748	0.3
269.09586	0.2
269.11832	0.3
270.10593	0.3
271.07101	0.2
271.09634	0.6
271.11694	0.2
271.14185	0.2
272.11862	0.2
273.08719	0.2
273.11172	0.4
273.13141	0.4
273.15668	0.1
274.10126	0.2
274.13474	0.4
275.10599	0.5
275.14230	0.4
277.08627	0.4
277.12305	0.4
277.15601	0.2
279.09967	0.7
281.08038	0.2
281.11780	0.5
282.10352	0.3
283.09750	0.8
283.13959	0.2
284.11911	0.3
285.11172	4.6
286.09839	0.2
286.13614	0.3
287.10504	0.4
287.14017	0.5
288.11423	0.3
288.14951	0.2
289.12131	0.6
289.15533	0.2
291.10168	0.4
291.13751	0.4
291.17215	0.2
292.07541	0.1
293.11697	0.5
295.09473	0.3
296.11926	0.3
297.12418	0.4
298.13382	0.2
299.10553	0.6
299.14117	0.3
300.11359	0.4
301.10928	1.5
301.15854	0.3
302.12912	0.3
303.12619	0.6
305.11688	0.4
305.14996	0.2
307.09732	0.4
309.11414	0.2
311.10342	0.3
311.13879	0.2
312.11234	0.3
313.12088	0.6
313.15665	0.3
314.13062	0.3
315.10306	0.3
315.13702	1.0
316.10959	0.2
317.11679	0.6
317.15387	0.3
319.12766	0.5
319.17010	0.2
320.13831	0.2
321.11142	0.2
322.11935	0.2
325.12030	0.6
327.13208	0.6
329.15353	0.8
330.12323	0.3
331.13187	0.6
331.16705	0.2
333.14862	0.4
339.13583	0.6
341.15216	0.4
342.12650	0.3
343.13397	1.0
345.14700	0.6
347.12656	0.3
347.16357	0.7
349.12863	0.3
349.18048	0.3
351.12201	0.2
353.11813	0.3
354.12851	0.2
355.13196	0.4
357.15024	1.1
358.15698	0.2
359.12231	0.3
359.15982	0.8
361.14359	0.6
362.15179	0.2
363.15887	0.3
367.13144	0.6
370.12091	0.3
371.12802	0.5
373.14359	0.9
375.15930	1.0
377.17496	0.9
380.73083	0.1
383.12701	0.5
385.14337	2.0
387.14465	1.7
389.13495	0.4
391.15436	0.9
393.16992	0.4
395.13113	0.2
400.10922	0.2
401.13632	1.0
402.14163	0.1
403.14758	3.2
405.16446	0.4
407.15158	0.3
413.13889	1.3
415.15482	0.3
417.16901	0.4
419.14734	1.2
421.15997	1.2
427.15430	0.4
431.14923	2.1
433.16391	1.0
435.17679	0.6
437.15915	0.3
441.15314	0.2
445.16495	1.5
449.15759	1.2
451.17514	2.4
453.18649	0.3
463.10922	0.2
463.17517	5.2
465.19324	0.1
467.16949	0.2
475.17215	0.2
479.20712	0.3
481.18530	3.9
482.19269	0.2
487.17804	0.2
497.17929	0.3
505.18695	0.9
517.18683	0.2
523.19727	0.4
533.18109	0.6
535.19598	0.8
537.20752	0.2
547.19635	0.6
551.19171	0.4
553.20795	0.3
565.12494	0.2
565.20703	3.2
583.21735	4.8
584.22015	0.2
611.22882	0.2
627.25494	0.2
629.24237	0.3
663.22278	0.2
671.24158	0.5
695.24524	0.5
699.24097	0.2
713.25842	2.2
714.74158	0.1
731.26880	4.2
732.26984	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.9
53.03948	1.9
55.01880	2.5
55.05507	0.7
57.03443	0.4
59.11835	0.3
65.03936	0.9
67.05514	2.3
69.03426	1.5
71.55347	0.5
74.09723	12.9
75.10038	1.0
77.03943	1.3
79.05500	4.1
81.03419	2.6
81.07068	1.0
83.04983	1.5
91.05485	5.6
93.07069	2.2
95.01324	0.8
95.04976	9.6
95.08591	1.1
97.02888	1.0
102.04701	0.5
103.05475	47.6
105.03402	0.8
105.04515	0.9
105.07039	9.6
107.04939	2.8
107.08604	0.7
109.06509	1.9
111.04440	0.4
115.05466	3.4
116.06240	0.9
116.34132	0.4
117.07024	3.5
119.04936	1.3
119.08594	2.2
121.02861	0.5
121.06538	2.0
123.04414	1.7
123.08056	0.8
125.05985	1.7
128.06232	2.1
129.07010	3.9
131.04935	100.0
131.08578	4.1
132.05276	1.2
132.08850	0.5
133.06505	10.1
133.10117	0.7
135.04437	1.0
135.08061	2.4
135.58873	0.3
136.06248	0.4
137.05981	1.6
141.06969	2.2
142.07779	2.6
143.08591	3.1
144.05707	0.6
145.04948	0.3
145.05327	0.4
145.06499	5.1
145.10143	1.4
146.07140	0.4
147.04379	0.7
147.08047	3.1
148.08424	0.6
149.05960	1.7
149.09709	0.4
151.03906	0.5
151.07541	1.2
152.06258	0.8
153.05563	0.5
153.07033	1.3
154.07793	2.2
155.08542	2.7
156.09351	1.4
157.06522	2.2
157.10156	3.3
158.07274	0.8
158.10446	0.4
159.08067	3.7
159.11754	0.6
160.08459	0.6
161.05998	15.0
161.09592	1.7
162.06705	0.5
163.07542	4.0
165.05548	0.8
165.06996	1.8
166.07825	0.9
167.08549	2.5
169.06477	2.2
169.10136	3.6
170.07289	1.0
170.10915	0.6
171.08076	3.6
171.11771	1.7
172.08841	0.7
173.05984	2.7
173.09608	2.4
175.07504	1.7
177.05518	0.7
178.07773	0.8
179.07022	2.2
179.08546	2.8
180.09387	1.0
181.06465	1.2
181.10094	1.4
182.07307	2.6
183.08052	4.4
183.11711	1.1
184.08788	1.4
184.12161	0.4
185.06013	1.7
185.09595	3.8
186.06749	0.4
187.07559	2.8
187.11115	1.1
189.05440	1.4
189.07428	0.3
189.09029	1.9
190.07767	0.4
191.08560	0.6
192.09296	0.5
193.10083	0.9
195.08066	2.9
195.11743	1.0
196.08809	1.0
197.05962	1.6
197.09628	8.0
198.06737	1.0
198.10381	1.8
199.07553	3.0
199.11203	4.0
201.05339	0.4
201.09044	1.7
202.07831	0.5
203.06993	1.1
203.08736	0.7
203.10545	0.7
205.08620	1.3
207.08061	2.8
207.11603	0.8
208.08839	1.1
209.05981	0.5
209.09641	2.2
210.06720	0.4
210.10471	0.6
211.07571	2.8
211.11200	1.0
212.08261	0.6
213.09093	6.0
213.12682	1.1
214.09932	0.6
214.13097	0.4
215.06981	1.2
215.10558	2.5
216.09338	0.5
217.08511	2.0
217.10435	0.4
221.09671	0.9
221.13319	0.5
223.07637	2.5
223.11136	1.7
224.08292	0.8
225.05490	1.0
225.09116	25.2
226.09785	1.1
227.07037	1.4
227.10593	1.8
229.08560	1.3
229.12178	0.6
231.06506	1.2
231.09969	0.6
231.11900	0.5
232.08885	0.4
233.07953	3.0
233.10043	0.4
233.13252	0.4
234.13712	0.4
235.07607	1.7
235.09421	0.5
237.09074	1.2
238.06209	0.4
239.07001	0.8
239.10654	1.6
241.08597	6.7
243.06482	0.8
243.10043	2.6
245.07939	2.1
245.13293	0.4
245.15364	0.7
246.15654	0.5
247.09441	2.4
249.09053	0.9
251.06979	0.9
251.10704	1.3
253.08406	1.9
253.12453	0.5
255.09947	2.5
257.07983	6.7
257.11542	2.6
259.09537	3.3
261.09082	0.5
261.12744	0.4
263.10648	1.1
264.08041	0.5
265.08514	0.8
267.10101	3.6
269.07983	0.8
269.11755	0.5
270.10391	0.5
271.09506	0.8
272.12018	0.4
273.11066	0.8
275.09064	0.7
277.12088	0.4
279.10178	0.9
281.12018	0.6
283.09418	1.7
285.08167	0.5
285.11203	9.9
285.15915	0.5
287.14297	0.7
291.10104	0.7
295.10239	0.5
297.12396	0.9
298.09698	0.5
299.10242	0.5
299.13898	0.6
300.11441	0.6
301.10635	2.8
301.15637	0.5
303.12357	1.3
309.11685	0.5
313.11887	1.1
313.15652	0.6
314.12604	0.5
315.13428	0.6
317.11691	0.6
317.15283	0.5
319.11685	1.2
325.11548	0.5
326.12479	0.4
327.13101	0.7
329.11639	0.5
329.15247	1.4
331.13147	0.7
339.13660	1.0
343.13306	0.9
345.11078	0.5
345.14746	0.9
347.16498	0.6
349.12939	0.4
355.12790	0.4
357.14975	1.7
358.15262	0.4
359.16333	0.6
367.13116	1.1
371.12698	0.5
373.14157	0.8
375.15817	1.0
385.14441	2.3
387.14444	1.5
391.15219	0.6
393.16714	0.7
401.13806	1.0
402.21463	0.4
403.14383	4.8
405.16275	0.5
413.13773	1.0
413.23486	0.4
415.15176	0.5
417.16663	0.7
419.14978	1.7
419.21378	0.4
420.22534	0.7
421.16159	1.3
427.15317	0.4
429.16052	0.4
431.14893	1.6
433.16159	0.9
435.17609	1.1
437.15405	0.5
445.16638	1.8
449.15848	1.2
451.17493	3.5
463.17554	7.2
481.11969	0.7
481.18546	7.2
505.18497	0.6
535.19336	0.9
547.19055	0.6
553.20428	1.0
555.21344	0.5
565.20520	2.7
583.21771	9.1
653.23584	0.5
671.24188	0.6
695.24701	0.5
713.25928	3.1
731.26941	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	731.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03955	2.0
55.01877	1.2
55.05517	1.2
65.03931	0.4
66.58250	0.2
66.81754	0.2
66.93932	0.2
67.05505	1.4
69.03434	0.7
69.07092	0.2
72.60423	0.2
77.03936	0.9
77.28568	0.2
79.05491	1.7
81.03424	1.4
81.07063	0.8
83.04988	2.2
85.02923	0.3
90.22710	0.2
91.05482	3.8
93.07048	1.2
95.01340	0.6
95.04975	5.8
95.08601	0.3
97.02867	0.3
98.83405	0.2
102.04697	0.6
103.05473	57.6
104.05801	0.6
104.35788	0.2
105.03406	0.8
105.04539	1.3
105.07036	4.4
107.04933	1.0
107.08619	0.5
109.02862	0.4
109.06529	1.1
111.04462	0.5
115.05441	2.1
116.06236	0.4
117.07009	2.1
119.04945	1.2
119.08588	1.7
121.02885	0.3
121.06527	1.7
123.04431	0.8
123.08031	0.3
125.05994	0.9
128.06236	1.5
129.07008	2.4
130.07838	0.5
130.43852	0.2
131.04933	100.0
131.08560	3.2
132.05284	0.9
133.06494	3.5
133.10149	0.5
135.04428	0.7
135.08058	1.4
137.02347	0.3
137.05968	1.0
139.03905	0.7
141.07007	1.6
142.07770	1.0
143.08566	2.6
144.05698	0.3
144.08081	0.3
145.02837	0.2
145.06471	3.0
145.10123	0.7
147.04401	0.6
147.08075	1.4
149.05992	1.1
149.09598	0.6
151.04005	0.3
151.07538	0.4
152.06224	0.4
153.05548	0.5
153.06996	0.8
154.07765	0.6
155.08553	1.7
156.09334	1.3
157.06522	1.1
157.10114	1.8
158.07295	0.9
159.04381	0.4
159.08067	3.7
159.11684	0.5
161.05983	5.6
161.09605	1.2
162.06821	0.3
163.03868	0.3
163.07559	2.0
165.05447	0.8
165.07013	1.2
166.07759	0.6
167.08568	1.1
168.09370	0.3
169.06471	1.6
169.10121	2.1
170.07246	0.5
170.10976	0.3
171.08054	2.0
171.11708	1.5
172.08865	0.5
173.06067	1.1
173.09636	0.9
173.13220	0.2
175.03963	0.2
175.07550	1.3
177.05472	0.5
177.09117	0.9
178.07762	0.6
179.07048	1.1
179.08571	0.9
180.09340	0.5
181.05028	0.3
181.06505	0.5
181.10130	1.0
182.07315	0.7
183.08040	1.9
183.11702	1.0
184.08838	1.3
185.05984	0.9
185.09641	1.6
185.13286	0.3
187.07552	2.5
187.11214	0.5
189.05435	1.0
189.09093	1.3
191.06958	0.4
192.09233	0.2
193.08516	0.3
193.10109	0.7
194.10883	0.4
195.08128	1.1
195.09828	0.2
195.11732	0.7
196.08742	0.4
197.05966	0.8
197.09634	2.6
197.13197	0.2
198.06694	0.4
198.10352	0.5
199.07518	1.4
199.11176	4.8
200.11952	0.3
201.05499	0.4
201.09126	1.0
203.06958	1.1
204.09439	0.2
205.08528	1.6
205.09724	0.2
205.10245	0.3
206.10913	0.5
207.08060	0.8
207.09869	0.3
207.11745	0.7
208.08812	0.4
209.06007	0.3
209.09627	1.2
209.13293	0.4
210.10464	0.2
211.07622	1.2
211.11189	0.9
213.05579	0.3
213.09161	1.8
213.12744	0.5
215.06895	1.0
215.08835	0.4
215.10646	0.7
216.09415	0.3
217.08537	2.4
218.10829	0.4
219.08212	0.5
219.10129	0.6
219.11880	0.4
220.08807	0.3
221.09708	0.7
221.13379	0.3
222.10393	0.3
223.07523	0.6
223.11140	0.7
224.08441	0.4
225.05563	0.5
225.09125	8.3
225.12582	0.4
226.09790	0.4
227.06961	0.7
227.10672	0.8
229.08350	0.5
229.10365	0.5
229.12234	0.3
230.11008	0.4
231.06342	0.5
231.11789	0.5
231.13745	0.3
232.12366	0.3
233.07977	1.7
233.13289	0.3
235.07396	0.5
235.09615	0.7
235.11487	0.4
235.14740	0.4
237.09061	0.8
237.12837	0.4
239.10661	0.7
241.08403	1.8
243.06358	0.3
243.09807	1.1
243.12242	0.3
244.12553	0.4
245.07742	1.0
245.13371	0.4
246.10439	0.3
247.09523	3.6
247.14717	0.3
249.09050	0.5
249.12904	0.3
251.06891	0.3
251.10770	0.5
251.14034	0.2
253.08675	0.6
253.12263	0.3
255.10085	0.7
257.07907	1.7
257.11700	0.7
259.09210	1.0
261.12845	0.4
263.10870	0.5
263.14124	0.3
267.10062	1.2
269.11838	0.5
271.09494	0.3
271.11346	0.4
272.11972	0.4
273.12662	0.4
274.13550	0.3
275.10641	0.4
275.14410	0.3
279.10120	0.8
281.11774	0.7
283.09567	0.4
285.11102	2.7
289.12057	0.4
289.15494	0.3
291.10178	0.3
293.11945	0.4
296.11761	0.3
298.13327	0.3
299.10651	0.4
299.14230	0.4
301.10843	0.7
302.13120	0.2
303.12436	0.7
311.13806	0.3
315.13721	0.5
317.11719	0.5
317.15237	0.4
319.12878	0.3
324.11279	0.3
325.12231	0.4
329.15302	0.3
331.13251	0.5
331.16882	0.3
333.14651	0.4
339.13501	0.4
341.15271	0.4
343.13052	0.4
345.14929	0.3
347.16360	0.6
349.13300	0.3
349.18051	0.3
355.13080	0.3
357.14627	0.7
359.16132	0.8
361.14276	0.8
367.13242	0.5
373.14221	0.6
375.15793	0.8
377.17435	0.8
383.12616	0.5
385.14523	1.4
387.14578	1.5
391.15369	0.6
393.16953	0.4
401.13751	0.8
403.14832	2.2
405.16281	0.3
413.13733	1.2
414.53494	0.2
417.16522	0.3
419.14856	0.7
421.16376	0.8
431.14758	1.2
433.16333	0.4
435.18076	0.5
445.16644	1.4
449.15927	0.7
451.17480	1.2
463.17557	3.5
479.20355	0.3
481.18649	3.4
505.18195	0.6
515.17230	0.3
533.17957	0.5
535.19330	0.4
547.19214	0.5
551.19214	0.3
565.20764	3.2
583.21686	4.2
713.25848	1.1
731.26068	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	731.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
53.03951	1.6
55.01877	2.5
55.05521	3.5
56.05856	0.3
57.03433	0.3
65.03945	0.4
67.05521	2.0
69.03431	1.4
77.03944	1.0
79.05504	2.6
81.03419	2.1
81.07064	0.9
83.04988	5.3
91.05482	5.8
93.07063	1.6
94.38452	0.3
95.01366	0.8
95.04973	7.7
95.08619	0.9
97.02892	0.9
98.92773	0.3
102.04733	0.4
103.05474	49.4
104.05783	0.3
105.03395	0.7
105.04512	1.4
105.07037	9.0
107.04970	1.8
107.08597	0.9
109.06516	1.7
111.04424	0.8
115.05453	3.0
116.06299	0.7
117.07020	3.3
117.97529	0.3
119.04965	1.8
119.08591	2.9
121.02850	0.7
121.06512	2.5
123.04399	1.4
123.08073	0.9
125.05990	1.6
128.06226	2.4
129.06981	2.9
130.07820	0.5
131.04935	100.0
131.08578	4.4
132.05229	1.4
133.06497	7.3
133.07463	0.6
133.10124	1.3
135.04459	0.8
135.08037	1.7
137.05965	1.7
139.03917	0.6
141.07004	2.5
142.07787	2.1
143.04991	0.4
143.08568	3.7
144.05734	0.5
145.06490	4.8
145.10135	1.2
146.07225	0.4
147.04440	0.8
147.08087	2.3
149.06024	1.9
149.09630	1.4
151.07567	1.1
152.06256	0.7
153.05492	0.4
153.06993	1.1
154.07788	2.2
155.05011	0.4
155.08566	2.0
156.09361	1.8
157.06519	1.7
157.10126	3.8
158.07269	1.1
159.04422	0.5
159.08058	4.4
159.11713	1.4
161.05994	14.0
161.09598	2.0
162.06746	0.8
163.07567	4.7
165.05615	0.7
165.07002	2.0
166.07787	0.8
167.08572	2.1
168.09407	0.5
169.06499	2.8
169.10130	3.9
170.07281	0.5
170.10844	0.7
171.04552	0.4
171.08070	2.6
171.11702	2.8
172.08774	0.6
173.06059	2.6
173.09644	1.7
173.13223	0.5
175.07498	1.7
177.09140	1.9
178.07835	0.7
179.07034	2.2
179.08569	2.3
180.09343	0.5
181.06537	1.0
181.10123	1.7
182.07275	1.4
182.10789	0.3
183.08078	3.5
183.11771	1.5
184.08833	1.1
185.06006	1.3
185.09647	3.4
185.13248	0.8
186.06671	0.4
186.10358	0.4
187.07579	3.2
187.11212	1.2
189.05501	0.9
189.09102	1.8
191.07022	0.9
191.08554	0.4
191.10709	0.4
193.08633	0.4
193.10182	1.1
195.08084	2.5
195.11668	0.8
196.08864	0.9
197.05963	1.3
197.09630	5.6
198.06642	0.5
198.10414	1.5
199.07590	2.7
199.11180	5.4
200.08353	0.4
201.05418	0.4
201.09099	1.7
202.07813	0.5
203.06993	1.0
203.08731	0.4
203.10674	0.4
205.08601	2.2
205.10266	0.6
206.10966	0.3
207.08087	1.7
207.10078	0.8
207.11783	0.6
208.08812	0.6
208.12231	0.4
209.06001	0.7
209.09642	2.0
209.13255	0.4
210.06741	0.4
211.07553	1.7
211.11247	1.2
212.08295	0.6
213.09135	4.5
213.12656	0.7
214.09874	0.6
215.06995	1.6
215.10675	2.0
216.11224	0.3
217.08470	2.4
217.10397	0.5
219.08232	0.5
219.09982	0.6
219.11787	0.8
221.09683	0.9
221.13272	0.9
223.07663	1.6
223.11134	1.6
224.08366	0.6
225.05611	0.6
225.09106	19.1
226.09604	0.9
227.07013	1.1
227.10515	1.4
229.08456	1.7
229.12222	1.0
231.06430	0.8
231.10034	0.7
231.11879	0.5
231.13757	0.6
233.07869	2.8
235.07669	1.4
235.09474	0.7
235.11415	0.7
236.08356	0.3
236.11778	0.4
237.09097	1.1
237.12732	0.7
239.10695	1.2
241.08545	5.3
241.12276	0.4
242.11032	0.5
243.06447	0.6
243.10059	2.6
243.13895	0.4
245.08070	1.3
245.13423	0.3
246.10490	0.3
247.09554	3.5
248.12021	0.4
249.09061	0.9
249.12872	0.5
251.07091	0.8
251.10614	1.2
253.08592	1.3
253.12323	0.4
255.10019	2.3
257.08032	4.0
257.11685	2.4
259.09515	2.6
260.11887	0.4
263.10648	0.9
263.14478	0.3
267.10010	2.5
269.07980	0.6
269.11810	0.4
270.13971	0.4
271.09668	1.3
272.11847	0.6
273.11282	0.7
275.10846	0.5
275.14316	0.3
279.10025	0.8
281.08087	0.4
281.11691	0.5
283.09747	1.3
285.11206	6.7
285.15994	0.5
286.13574	0.5
287.10696	0.4
287.14203	0.8
288.11279	0.4
289.15887	0.4
291.10172	0.5
293.08081	0.4
293.11676	0.4
299.10327	0.6
300.11542	0.5
301.10849	2.5
301.15738	0.6
303.12561	1.0
305.15588	0.4
307.09552	0.4
309.11246	0.6
313.15747	0.6
314.13147	0.5
315.13611	1.0
315.17395	0.4
317.11716	0.4
319.12048	0.4
325.12112	1.0
327.13199	0.4
329.15247	1.3
331.13266	0.6
331.16660	1.5
333.14700	0.6
339.13651	0.9
341.14511	0.4
343.13226	1.2
345.14590	0.7
345.18539	0.7
347.16412	0.4
349.12848	0.4
349.17905	0.4
353.11469	0.3
357.14993	1.5
358.15540	0.5
359.15994	0.9
361.14252	0.4
363.19681	0.5
367.13278	1.0
373.14191	0.8
373.18228	0.6
375.15762	1.2
377.17435	0.6
383.12735	0.7
385.14288	2.1
387.14392	1.4
389.13199	0.4
391.15302	0.9
393.16721	0.6
401.13599	0.5
403.14511	3.2
405.20682	0.6
413.13922	0.9
417.16864	0.6
419.14380	1.5
421.16113	1.0
431.14749	1.7
433.15424	0.5
433.20523	0.7
435.17770	0.6
437.15961	0.4
445.16470	2.0
449.15823	1.5
451.17361	2.7
463.17532	6.7
481.12186	0.4
481.18600	5.9
497.17621	0.4
523.19769	0.5
533.17719	0.7
535.19592	0.7
537.20374	0.4
547.19299	0.7
565.20557	1.7
583.12506	0.4
583.21783	8.2
596.29376	0.5
671.25391	0.8
688.71490	0.4
695.24792	0.5
696.34625	2.4
713.25238	2.2
731.26837	5.4
732.25647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.8
53.03955	1.6
55.01875	1.8
55.05510	1.2
57.03428	0.3
65.03955	0.6
67.05512	3.3
69.03428	0.7
69.47090	1.4
71.04961	0.2
76.17800	0.2
77.03915	1.1
79.05513	2.1
79.98731	0.2
81.03416	1.4
81.07047	0.7
83.01322	0.3
83.04976	1.9
85.02917	0.3
91.05492	4.1
93.03405	0.2
93.07055	1.9
95.01329	0.5
95.04977	7.5
95.08611	0.5
97.02937	0.4
97.06519	0.3
102.04670	0.4
103.05475	49.7
104.05804	0.4
105.03390	2.2
105.04521	0.8
105.07040	5.7
107.04942	1.1
107.08577	0.7
109.06551	1.2
111.04430	0.7
115.05458	2.5
116.06221	0.8
117.07027	3.5
119.04936	1.3
119.08585	2.0
121.02882	0.7
121.06516	2.2
121.10172	0.5
123.04428	4.4
125.05995	2.3
127.03785	0.3
128.06229	2.3
129.07010	3.1
130.07779	0.3
131.04936	100.0
131.08569	4.9
132.05272	0.9
133.06511	5.1
133.10129	1.2
135.04405	1.0
135.08067	2.2
136.06221	0.3
137.05971	0.7
137.09625	0.3
139.03938	1.7
139.07567	0.3
141.06990	2.1
142.07785	1.8
143.08565	2.9
144.05751	0.5
144.08127	0.3
145.06491	3.5
145.10156	1.1
146.07227	0.4
147.04417	0.6
147.08067	1.4
149.06003	2.3
149.09645	0.9
151.07579	0.4
152.06204	0.4
153.05536	0.7
153.06990	0.9
154.07779	0.8
155.08551	1.7
156.09358	0.9
157.06531	1.5
157.10114	1.5
158.07332	0.5
159.04483	0.5
159.08064	5.7
159.11713	0.6
160.08812	0.3
161.05992	6.9
161.09584	1.9
162.06723	0.7
163.07550	5.1
165.05505	0.9
165.06982	1.0
166.07811	0.4
167.08626	1.1
168.05768	0.3
169.06497	2.2
169.10121	1.7
170.07277	0.3
170.10852	0.6
171.04436	0.5
171.08040	2.4
171.11740	1.3
172.08763	0.3
173.05989	1.9
173.09679	1.6
174.06842	0.3
175.07538	2.0
175.11201	0.4
177.05475	0.4
177.09100	1.7
178.07790	0.5
179.07027	1.0
179.08592	1.1
180.09337	0.4
181.04988	0.3
181.06487	0.5
181.10144	1.0
182.07329	0.8
183.08035	2.0
183.11679	1.2
184.08852	0.3
185.06010	1.2
185.09633	1.5
185.13287	1.2
186.06804	0.3
187.07533	5.0
187.11156	0.6
188.08411	0.3
189.05423	0.9
189.07373	0.2
189.09073	1.8
191.07088	0.6
192.09322	0.4
193.10132	1.0
195.08049	1.4
195.11655	0.6
196.08783	0.7
197.05991	1.0
197.09634	3.3
197.13203	0.3
198.10318	0.6
199.07562	1.7
199.11180	2.1
201.05498	0.5
201.09135	1.2
202.07860	0.3
203.06969	1.4
203.10802	0.4
205.08553	3.9
205.10173	0.5
207.08029	0.9
207.10138	1.4
207.11797	0.6
208.08888	0.6
209.09648	1.4
211.07549	0.7
211.11176	0.7
212.08330	0.6
213.05490	0.4
213.09122	1.7
213.12776	0.7
214.09686	0.3
215.07019	1.1
215.10660	0.8
217.08557	3.4
219.08215	0.4
219.10150	1.3
221.09682	0.7
221.13235	0.3
223.07523	0.8
223.11165	1.0
225.09108	7.6
225.12590	0.5
226.09676	0.3
227.07092	0.6
227.10681	1.1
229.08524	1.5
229.12250	0.3
230.11000	0.3
231.10007	0.5
232.08723	0.3
233.07893	1.6
233.13304	0.5
235.07478	0.9
235.09685	1.9
236.08238	0.3
237.09148	1.0
238.09850	0.3
239.10675	0.7
241.08501	2.0
241.12271	0.4
243.06467	0.5
243.09982	1.4
243.13910	0.3
245.08057	0.8
245.13342	0.4
245.15424	0.4
247.07140	0.4
247.09630	6.1
249.09171	0.6
251.06950	0.5
251.10635	1.3
253.08588	0.9
253.12384	0.6
255.10017	1.2
257.07889	1.4
257.11404	1.3
259.09528	1.3
263.10672	0.8
265.08542	0.4
267.10077	1.3
269.11673	0.5
271.09503	0.5
273.11288	0.4
275.08997	0.6
275.14297	0.4
277.08441	0.4
279.10150	0.7
281.11832	0.6
283.09518	0.4
285.11124	2.4
287.13126	0.2
288.11371	0.3
291.13855	0.3
293.11664	0.4
295.09470	0.5
297.11679	0.4
298.13394	0.3
299.10077	0.2
299.14334	0.6
300.11456	0.3
301.10840	1.1
303.12506	0.2
305.11703	0.3
307.09692	0.5
309.11285	0.6
311.13113	0.3
313.12106	0.5
315.13510	0.5
319.11938	0.3
322.12152	0.4
323.12900	0.3
325.12115	1.0
327.12872	0.4
329.15182	0.6
333.14923	0.4
339.13773	0.5
341.14380	0.6
342.12659	0.3
343.13217	1.1
345.14752	0.3
349.12888	0.5
355.13300	0.6
357.14597	1.0
357.18539	0.3
359.15097	1.1
367.13162	0.9
368.14362	0.3
371.12668	0.4
373.14093	0.8
375.15878	0.7
383.12753	0.4
385.14368	1.9
387.15094	0.6
389.13583	0.4
391.15344	0.4
393.16797	0.4
395.13943	0.3
401.13535	0.5
403.15250	2.0
407.57953	0.3
413.13849	0.7
417.16400	0.4
419.14539	0.7
421.16379	0.5
423.14005	0.5
424.15192	0.4
431.14850	0.9
433.16241	0.7
435.17795	0.4
437.20038	0.3
442.16516	0.7
445.16498	1.4
449.15808	0.9
451.17279	1.8
461.18207	0.4
463.17453	2.7
467.16568	0.3
481.18591	3.7
487.17081	0.3
491.16959	0.4
505.18753	1.2
515.16980	0.5
533.17834	1.1
535.19196	0.3
547.19226	0.3
551.19580	0.3
565.20892	1.3
583.21729	3.1
713.25250	1.1
731.26172	2.6
732.25830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
52.94373	0.2
53.03952	1.9
55.00726	0.3
55.01874	1.1
55.05507	0.7
57.03428	0.3
57.68850	0.2
62.41529	0.3
67.05509	1.3
69.03439	0.4
69.26519	0.5
69.26928	1.6
77.03944	0.8
79.05492	1.6
81.03410	1.0
81.07066	0.7
83.04982	1.1
85.02930	0.3
91.05492	4.2
93.07047	1.8
95.04974	5.8
95.08633	0.5
97.06557	0.3
98.21521	0.5
102.04697	0.7
103.05476	52.4
104.05783	0.6
105.03432	0.6
105.04515	0.7
105.07038	3.3
107.04965	0.8
107.08613	0.6
109.06499	0.7
111.04420	0.7
115.05461	1.8
116.06239	0.7
117.07030	2.1
119.04943	0.6
119.08585	1.9
121.02901	0.3
121.06508	1.5
123.04481	0.6
123.08104	0.5
125.06001	0.4
126.05510	0.4
128.06204	2.0
128.25116	0.3
129.07013	2.6
130.07785	0.4
131.04938	100.0
131.08565	5.2
132.05203	1.3
133.06500	2.7
133.10152	0.9
135.04463	0.4
135.08037	1.3
137.05983	0.5
139.03934	1.1
141.06995	2.0
142.07838	1.3
143.08592	2.5
144.05698	0.5
144.08101	0.3
145.06506	2.0
145.10197	0.5
146.07217	0.3
147.04390	0.3
147.08037	1.6
149.05981	1.2
149.09666	0.6
152.06311	0.3
153.05544	0.3
153.07036	0.7
154.07806	0.3
155.08560	1.1
156.09375	0.7
157.06497	1.0
157.10208	1.4
158.07309	0.5
159.04456	0.5
159.08063	5.8
159.11664	0.5
161.05998	2.4
161.09650	1.1
163.07533	1.7
165.05603	0.4
165.07018	1.0
165.09154	0.2
166.07776	0.7
167.08571	0.9
169.06456	1.8
169.10139	1.4
171.08069	1.7
171.11739	0.8
173.05951	0.7
173.09662	1.2
175.07507	1.5
177.05447	0.7
177.09114	0.8
178.07765	0.4
179.07056	0.6
179.08574	1.0
181.06433	0.6
181.10098	0.9
182.07306	0.3
183.08038	1.1
183.11717	0.4
184.08852	0.3
185.06021	0.6
185.09595	0.9
187.07542	4.2
187.11156	0.3
189.05481	1.1
189.09111	1.6
191.07002	0.4
192.09349	0.8
193.10143	0.8
195.08064	0.9
195.11684	0.4
197.05995	0.7
197.09599	1.8
198.10541	0.3
199.07549	1.6
199.11183	2.3
201.09138	0.8
202.07796	0.3
203.07022	1.2
203.08716	0.5
204.09358	0.3
205.08559	1.7
205.10207	0.8
206.10854	0.4
207.08188	0.2
207.11737	0.7
208.08916	0.3
209.09599	0.8
211.07555	0.7
211.11179	0.7
213.09117	1.1
213.12772	0.3
215.06889	1.3
215.08839	0.5
215.10617	0.5
216.09396	0.3
217.08546	3.8
217.10136	0.4
218.10968	0.5
219.08177	0.4
219.10146	1.1
219.11931	0.4
220.12485	0.3
221.09700	0.4
221.13280	0.3
223.07643	0.3
223.11186	0.6
225.09154	2.7
227.07001	0.4
227.10681	0.6
228.09413	0.3
229.08301	1.2
231.11705	0.8
232.12433	0.4
233.07936	1.9
233.13281	0.8
234.10371	0.3
235.07584	0.4
235.09291	1.2
237.09042	0.5
239.10744	0.5
241.08531	0.8
242.11005	0.3
243.11676	0.8
244.12392	0.4
245.08034	0.7
245.13268	0.9
247.07118	0.5
247.09631	10.3
247.14847	0.5
251.10825	0.5
253.10292	0.3
254.10866	0.6
255.09920	0.4
255.12051	0.3
256.12399	0.3
257.13455	0.5
259.11279	0.7
259.14627	0.3
260.11966	0.5
261.12668	0.7
262.13367	0.3
263.10706	0.4
263.14343	0.5
265.10660	0.5
267.10074	0.4
268.09250	0.2
268.12399	0.5
270.10596	0.3
271.11246	0.5
271.14862	0.5
272.11880	0.4
273.08981	0.3
273.12698	0.8
275.10623	0.3
275.13977	0.3
279.09937	0.3
283.11316	0.5
283.14816	0.4
284.11978	0.4
285.11276	0.5
285.16104	0.3
286.13773	0.3
289.12195	0.6
289.15442	0.4
295.11063	0.4
295.14801	0.2
297.12640	0.8
299.14120	0.3
301.12302	0.3
301.15845	0.6
302.12982	0.3
303.13788	0.4
309.12170	0.3
313.12103	0.4
313.15808	0.5
315.13718	0.4
317.11685	0.4
317.15179	0.4
319.13422	0.4
325.12323	0.4
327.13727	0.7
329.15366	0.5
331.13217	0.4
331.16895	0.4
333.14734	0.4
339.13568	0.4
343.13147	0.6
345.14679	0.5
347.12793	0.5
349.13049	0.9
355.13181	0.8
357.14771	1.0
359.16190	0.7
361.14139	0.3
367.13272	0.5
373.14288	0.5
375.15863	0.6
377.17676	0.3
379.19241	0.3
383.12686	0.4
385.14426	1.2
387.14624	0.7
403.15244	1.0
403.51718	0.3
413.13770	0.6
417.16956	0.4
419.14633	0.4
421.14935	0.7
427.15012	0.3
431.15033	0.4
431.24448	0.3
433.16110	0.6
435.17413	0.4
445.16443	1.2
449.15671	0.4
451.17108	0.4
463.17322	1.8
481.18619	1.4
487.17291	0.3
497.17795	0.5
505.18982	0.3
523.20013	0.3
535.19214	0.3
547.19806	0.3
565.20392	1.0
583.21844	1.7
647.25085	0.5
712.46497	0.3
713.26166	1.7
731.26666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.6
53.03952	1.5
55.01877	1.6
55.05513	0.4
57.03445	0.5
59.05021	0.2
62.01595	0.1
65.03947	0.5
67.05501	1.3
68.05921	0.1
69.03432	0.8
69.07105	0.2
77.03915	1.0
79.05498	2.1
81.03411	2.1
81.07051	0.7
83.01359	0.4
83.05003	0.8
85.02923	0.2
91.05486	4.6
93.07063	1.6
95.01331	0.5
95.04971	7.3
95.08599	0.4
97.02921	0.4
97.06566	0.3
98.20682	0.3
102.04684	0.8
103.05473	48.0
104.05802	0.5
105.03413	0.4
105.04524	0.8
105.07038	6.3
107.04964	1.5
107.08598	0.7
109.02892	0.6
109.06516	1.2
111.04423	0.6
115.05460	2.4
116.06235	0.5
117.07025	2.3
119.04947	1.1
119.08600	1.6
121.02879	0.5
121.06516	1.9
121.10103	0.2
122.07295	0.1
123.04423	1.0
123.08086	0.5
125.06010	1.0
128.06227	2.3
129.06996	2.8
130.07771	0.5
131.04933	100.0
131.08562	4.2
132.05246	1.4
133.06497	5.3
133.10126	0.5
134.07262	0.2
135.04425	1.1
135.08041	1.7
137.02316	0.2
137.05994	1.2
139.03923	0.9
141.07004	2.5
142.07771	1.8
143.04970	0.2
143.08562	2.6
144.05701	0.5
144.08055	0.2
145.02864	0.3
145.06496	3.8
145.10121	0.9
146.07166	0.2
147.04398	0.6
147.08044	1.6
149.05995	2.4
149.09654	0.4
151.03989	0.2
151.07553	0.6
152.06218	0.5
153.01814	0.2
153.05496	0.5
153.07005	0.9
154.07787	1.4
155.06053	0.3
155.08571	2.0
156.09358	1.4
157.06511	1.5
157.10129	2.1
158.07291	0.7
159.04408	0.6
159.08075	3.8
159.11702	0.5
161.05994	8.8
161.09604	1.6
162.06757	0.7
163.03943	0.4
163.06245	0.3
163.07544	2.9
165.05534	0.7
165.07036	1.6
166.07779	0.7
167.07191	0.3
167.08545	1.6
168.09373	0.5
169.06479	2.2
169.10114	2.3
170.07271	0.7
170.10861	0.3
171.04427	0.3
171.08061	2.9
171.11664	1.2
172.08821	0.6
173.05980	1.8
173.09612	1.2
175.07562	1.2
177.05458	0.7
177.09065	0.8
178.07729	0.8
179.07018	1.9
179.08585	2.0
180.09340	0.6
181.05086	0.2
181.06511	0.6
181.10109	1.5
182.07272	1.2
182.10883	0.2
183.08055	2.6
183.11577	0.8
184.08875	1.3
185.06035	1.2
185.09624	2.8
186.06776	0.2
186.10413	0.3
187.03961	0.2
187.07550	3.5
187.11180	0.7
189.05415	0.8
189.09094	1.4
190.07796	0.4
190.85788	0.2
191.07008	0.6
191.08649	0.5
192.09280	0.7
193.05008	0.2
193.06595	0.3
193.08617	0.2
193.10126	1.0
194.07332	0.2
194.10864	0.2
195.06557	0.3
195.08067	1.3
195.11713	0.9
196.08844	1.1
197.05974	1.2
197.09639	4.5
198.06781	0.5
198.10400	1.1
199.07558	2.3
199.11186	6.5
200.08313	0.2
200.11670	0.3
201.05418	0.3
201.09106	1.1
202.07767	0.3
203.07005	1.5
203.08698	0.4
203.10515	0.3
204.09399	0.3
205.08603	2.2
205.10245	0.4
206.10999	0.3
207.06425	0.2
207.08069	1.3
207.10115	0.4
207.11855	0.7
208.08794	0.6
209.06035	0.4
209.09665	1.4
209.13260	0.3
210.06718	0.4
210.10329	0.5
211.07597	1.6
211.11154	1.0
212.08167	0.4
213.05449	0.6
213.09134	3.0
213.12680	0.2
214.09842	0.5
215.06985	1.5
215.08804	0.3
215.10524	1.4
216.09476	0.3
217.08513	3.0
217.10211	0.4
218.10948	0.3
219.08209	0.3
219.10146	0.8
219.11761	0.5
220.08853	0.4
221.09760	1.0
221.13087	0.3
222.06781	0.2
222.10376	0.5
223.07571	1.5
223.11111	1.1
224.08311	0.6
225.05481	0.6
225.09106	13.5
225.12755	0.5
226.09653	0.5
227.07022	0.7
227.10675	1.2
228.09587	0.2
229.08421	1.5
229.10524	0.2
229.12131	0.2
230.10951	0.4
231.06494	0.6
231.09969	0.3
231.11745	0.6
232.08765	0.3
232.12514	0.2
233.07889	2.1
233.10013	0.3
233.13275	0.2
234.10455	0.4
235.07480	1.0
235.09648	1.1
235.11354	0.6
235.20761	0.2
236.08263	0.3
236.11992	0.3
237.09164	1.1
237.12738	0.6
238.09953	0.3
239.06944	0.4
239.10692	1.2
241.08525	3.5
241.10622	0.2
241.12280	0.2
242.09016	0.2
243.06519	0.5
243.09946	1.8
244.12454	0.3
245.07910	1.8
245.13306	0.4
246.10509	0.4
247.09502	4.3
247.12024	0.2
247.14905	0.3
248.12057	0.4
249.09222	0.8
249.12994	0.3
250.09787	0.3
251.07118	0.7
251.10738	0.9
251.14195	0.2
252.11520	0.2
253.08395	1.2
253.12354	0.3
254.11044	0.2
255.09839	1.3
256.08765	0.2
256.12436	0.2
257.08072	2.7
257.11737	2.1
258.10678	0.2
259.09399	1.9
259.15100	0.2
260.12033	0.2
261.09122	0.6
261.12747	0.5
262.09833	0.3
262.13409	0.2
263.10632	0.8
263.14264	0.3
264.11166	0.1
265.08502	0.5
267.10098	2.0
268.12903	0.2
269.08078	0.6
270.10440	0.3
270.14066	0.3
271.09622	0.5
271.11404	0.4
272.12036	0.3
273.11243	0.5
273.13052	0.2
273.15817	0.2
274.09933	0.2
275.10541	0.5
275.14490	0.3
277.08688	0.4
277.12192	0.3
279.10175	0.7
279.13519	0.2
281.11798	0.7
283.09396	1.0
283.14355	0.2
284.11905	0.5
285.11136	5.4
287.10364	0.2
287.14264	0.5
288.11353	0.2
289.12393	0.3
291.10153	0.4
291.13699	0.4
293.11697	0.2
294.16174	0.2
295.09705	0.3
297.08896	0.2
297.12476	0.5
298.09897	0.2
298.13373	0.2
299.10483	0.5
299.14017	0.2
300.11313	0.3
301.10840	1.5
301.15604	0.3
302.13058	0.4
303.12369	0.8
305.11746	0.3
305.15277	0.2
307.09650	0.5
309.11404	0.4
311.14059	0.5
312.11249	0.2
313.11993	0.6
313.15561	0.3
314.12885	0.4
315.10175	0.2
315.13879	1.1
316.11078	0.3
317.11746	0.5
317.15167	0.3
318.12277	0.2
319.12091	0.6
321.11264	0.2
323.13138	0.2
324.11292	0.2
325.11890	0.7
326.13068	0.2
327.09802	0.2
327.13504	0.5
329.11456	0.3
329.15070	0.7
330.12302	0.2
331.13260	0.7
331.16809	0.3
333.11115	0.2
333.14728	0.5
335.12741	0.3
339.13403	0.6
341.14987	0.3
342.12411	0.3
343.13251	0.9
345.10727	0.2
345.14651	0.5
347.11810	0.3
347.16364	0.6
349.13116	0.5
349.17914	0.3
353.11472	0.3
355.13239	0.4
356.14059	0.2
357.15030	1.2
359.12350	0.3
359.16718	0.8
361.14136	0.6
363.15796	0.4
367.13428	0.8
369.14563	0.2
371.12698	0.4
373.14319	1.0
375.16003	1.1
377.13477	0.2
377.17514	1.2
383.12753	0.5
385.14383	2.1
387.14447	2.2
389.13852	0.3
391.15372	0.7
393.16818	0.4
395.12836	0.3
401.13831	1.0
403.14987	3.1
403.59177	0.2
404.15515	0.3
405.16418	0.4
407.14685	0.2
413.13840	1.6
415.15271	0.3
417.16818	0.6
419.14874	1.1
421.16287	1.4
423.14093	0.3
427.15344	0.3
431.14835	1.8
433.16382	1.0
435.17865	0.7
437.15839	0.3
439.17395	0.4
442.16010	0.3
445.16479	1.7
446.16257	0.2
449.15909	1.3
451.17554	2.7
453.19116	0.2
463.17566	5.3
464.17331	0.2
475.17392	0.2
479.20526	0.3
481.18588	4.6
482.19327	0.3
487.17532	0.2
497.17334	0.3
505.18277	0.7
515.17010	0.2
523.19336	0.3
533.18018	0.7
535.19849	1.0
537.21356	0.3
547.19379	0.6
551.19208	0.5
553.20050	0.4
565.12744	0.2
565.20770	4.1
583.21796	5.0
584.21600	0.3
593.21869	0.3
597.22174	0.2
611.22046	0.3
629.23785	0.2
671.24609	0.6
681.23450	0.2
695.24091	0.5
713.14130	0.2
713.25757	2.0
731.26917	4.5
732.25830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.9
55.05506	17.0
67.05491	22.2
79.05508	26.6
81.03415	14.1
81.07063	18.2
83.04983	19.5
83.08652	6.2
86.09721	9.5
91.05489	34.2
93.07043	20.6
95.04964	11.0
95.08588	10.0
96.57822	6.0
97.06552	7.9
103.05465	58.2
105.07022	28.6
107.05044	7.1
107.08615	9.6
109.10131	12.2
117.07011	18.5
119.08618	29.6
129.07002	17.2
131.04922	100.0
131.08582	18.7
133.06508	7.1
133.10146	37.6
141.06972	6.7
143.08566	23.4
145.06485	16.6
145.10110	11.0
147.08043	82.3
149.09619	7.0
152.05667	8.8
155.08548	11.6
156.09358	11.0
157.10143	24.7
159.08070	33.5
159.11708	14.0
161.09608	51.3
163.07596	38.6
163.11223	9.8
163.54517	6.5
165.07135	6.1
169.10057	11.4
171.08046	8.6
171.11731	41.9
173.09637	24.8
173.13243	5.9
174.73796	5.7
175.07544	7.2
175.11287	6.0
178.07333	7.1
181.12433	6.1
183.11713	37.9
184.07350	21.4
185.09633	10.3
185.13208	33.9
187.11147	8.5
195.11679	8.5
197.13289	11.6
199.11188	17.5
201.09117	10.8
201.12750	8.8
209.13194	7.9
211.11119	9.9
213.12769	42.3
219.22227	6.0
221.13277	12.9
223.11150	8.1
229.12276	7.1
229.14413	6.3
231.13577	6.5
241.12267	22.8
243.13838	11.7
245.15453	30.8
255.13834	9.4
259.13165	13.8
261.12466	7.3
263.16516	6.6
273.14767	33.3
287.14294	9.6
291.15958	12.2
301.15860	6.5
315.17462	9.0
327.17435	12.3
341.18900	12.6
345.18539	12.8
359.20081	9.5
369.18314	10.0
387.19626	22.2
389.21176	8.0
391.22546	11.1
395.89703	6.5
401.21216	33.1
405.20563	7.0
407.22211	6.8
419.22141	59.0
437.23438	28.6
489.35376	10.0
519.27625	12.6
537.28217	6.7
653.30994	11.7
730.49921	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	730.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01863	1.7
55.05513	57.3
67.05497	2.7
69.03446	2.3
76.81396	1.6
79.05492	4.4
81.07064	1.7
83.04987	100.0
91.05499	9.5
93.07026	4.7
95.04964	4.1
95.08591	2.4
103.05479	6.1
105.06518	1.3
105.07056	15.5
107.04934	1.7
107.08579	4.9
109.06506	2.6
109.10125	1.8
115.05428	5.9
117.07040	15.1
119.08609	11.6
121.06467	2.7
121.10133	2.9
126.05537	2.1
128.06216	3.1
129.06963	5.2
131.04961	12.8
131.08592	7.7
133.06494	5.2
133.10120	11.9
135.08026	3.4
137.05943	1.7
141.07005	1.8
142.07765	3.6
143.08585	9.6
145.06516	10.6
145.10120	5.8
147.08064	6.5
149.09613	6.1
153.06918	2.4
155.08566	3.3
156.09354	7.8
157.10106	12.4
159.08063	7.0
159.11694	5.3
161.05989	10.3
161.09695	9.6
163.07562	6.5
167.08490	1.6
168.09325	1.8
169.10136	9.7
170.10870	2.0
171.08081	3.8
171.11702	19.5
172.12057	1.8
173.05936	6.8
173.09599	7.4
175.07547	3.0
177.09155	7.9
179.08508	2.6
181.10086	3.5
183.08058	4.1
183.11710	18.2
184.08844	2.1
185.09604	5.0
185.13313	12.9
187.07585	2.1
187.11247	3.9
189.05417	4.9
189.09088	5.9
191.06860	2.1
191.10576	2.5
193.10059	2.4
194.10938	2.0
195.09869	1.5
195.11691	5.6
196.08788	1.9
197.09540	4.2
197.13249	2.4
199.07654	1.9
199.11238	9.3
200.11865	1.6
201.09038	2.0
203.07014	2.8
207.11684	4.0
211.11151	3.9
213.09137	2.9
213.12750	11.2
215.10651	3.1
221.13216	3.0
223.11176	2.9
225.12698	1.9
227.10739	3.3
229.02853	2.0
229.12292	4.6
230.10757	3.0
231.11789	2.5
231.13803	8.6
232.12283	2.3
233.13280	3.7
235.14752	2.4
241.12219	4.8
244.12550	2.0
245.13409	3.0
247.11406	1.7
247.14806	2.6
249.16362	2.4
251.10788	1.9
257.13474	3.7
258.14069	3.0
259.11032	2.3
259.13406	6.8
260.11954	1.8
260.15491	2.0
261.12744	2.5
262.13354	2.5
263.14481	1.9
267.11609	1.9
270.13922	2.1
271.14774	3.0
273.16425	2.1
277.15729	2.6
285.12723	2.6
287.14380	2.8
287.17941	2.7
288.15039	1.9
299.14261	3.6
302.16711	2.9
303.13586	1.9
311.17944	1.7
313.15668	3.5
315.13931	1.9
315.17471	4.8
320.17743	2.2
329.15286	2.2
329.18896	3.4
331.16809	3.5
333.18399	2.4
342.16217	1.9
343.16898	8.7
345.14777	3.1
345.18518	2.4
357.18463	11.3
361.17953	4.2
373.17859	5.7
375.19543	11.4
385.18048	14.1
391.19022	4.4
393.20563	2.8
403.18994	35.3
417.20493	3.0
421.20093	25.9
435.21796	5.4
463.21359	9.8
478.25238	2.0
481.22321	8.0
485.23080	3.0
495.23849	4.3
503.24509	4.4
513.94049	1.5
563.26270	7.2
581.27716	12.9
595.29144	8.7
613.97931	1.9
663.31372	9.8
677.33160	3.2
695.34204	15.9
696.33478	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.8
55.01860	2.2
55.05513	68.6
62.85723	1.9
65.24669	2.2
67.05489	4.2
69.07058	2.7
69.20316	21.0
79.05484	3.4
81.07033	3.8
83.04983	100.0
83.08610	2.0
91.05473	13.7
93.07023	5.5
95.04960	6.5
95.08620	3.5
98.11316	2.2
103.05466	25.2
105.03374	2.3
105.07051	17.0
107.08584	4.4
109.06538	3.0
110.06013	2.1
111.04427	7.0
115.05454	5.7
116.03381	2.1
116.07081	2.1
117.07027	17.3
119.04910	2.7
119.08572	15.0
119.90493	1.7
121.06516	2.9
121.10145	3.8
123.08086	2.7
125.02397	3.2
125.06018	4.7
128.06232	2.4
129.06995	7.6
130.63263	2.0
131.04930	43.8
131.08569	12.4
133.06474	5.5
133.10118	12.8
137.06004	2.2
141.06969	3.3
142.07764	5.7
143.08525	11.1
145.06496	10.5
145.10109	8.2
147.08035	6.4
149.09607	5.1
155.08562	4.0
156.09338	7.8
157.06499	3.1
157.09019	2.9
157.10115	16.4
159.08070	6.2
159.11644	7.0
161.05975	11.6
161.09616	7.1
162.06743	4.2
163.07626	4.6
169.10214	9.9
170.10884	6.0
171.08046	5.5
171.11694	26.1
172.12071	3.0
173.06004	4.4
173.09599	10.5
173.13190	2.4
174.06793	2.8
175.07570	14.1
176.08292	6.1
177.09129	27.9
183.08055	5.3
183.11694	14.6
184.08862	3.4
185.09607	9.8
185.13277	14.1
187.07553	3.6
187.11201	3.8
189.05475	4.0
189.09145	11.2
191.10687	12.0
193.08621	3.9
195.11684	3.0
197.09641	5.7
197.13214	3.7
198.10284	2.3
199.07501	2.8
199.11185	14.3
200.11942	5.1
201.09125	3.8
203.07013	4.3
203.10699	5.7
205.08597	12.5
205.12282	2.0
207.11655	5.7
209.09520	3.2
209.13194	3.1
211.07599	2.9
211.11177	3.7
213.09053	4.1
213.12718	15.3
215.10637	7.0
217.08508	4.4
217.12170	3.8
218.10939	2.6
219.11804	4.0
220.18523	1.9
221.13266	3.7
222.10405	2.7
223.11171	3.3
225.09048	9.3
227.10661	3.6
229.12239	6.0
231.13733	15.1
232.12289	2.4
233.13274	3.0
237.12697	4.1
241.12238	4.7
243.13799	2.5
244.12418	2.9
244.83228	2.4
245.13316	2.6
249.12738	3.1
251.14433	2.7
259.13126	11.6
261.12650	3.3
261.22952	2.2
270.14154	3.2
271.14932	4.2
274.13495	2.4
275.12692	3.2
279.13672	2.2
281.13181	2.1
285.16223	2.3
287.13754	2.4
289.15747	2.3
301.15964	3.7
313.15625	2.2
315.17337	3.3
319.16663	2.9
329.15613	2.3
331.16885	3.1
333.18256	2.7
343.17004	6.3
345.18607	5.2
347.20148	3.6
356.17444	2.1
357.14456	2.4
357.18411	4.6
361.18054	2.6
375.19592	4.6
385.17749	2.2
403.19028	11.4
405.20508	3.5
417.20599	7.2
421.19937	7.1
435.21823	16.6
453.22577	4.3
477.22281	2.9
495.24020	15.3
577.28015	2.6
592.54047	2.1
595.29181	26.4
677.33044	14.7
695.34222	96.3
731.28278	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	729.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.05513	58.1
56.36451	1.7
59.66100	1.8
63.35115	1.6
66.01059	1.4
67.05501	3.0
69.03432	3.5
69.07080	2.2
70.12202	1.6
71.55621	2.8
79.05492	7.0
81.03436	1.8
81.07053	5.6
83.04986	100.0
85.02892	1.8
91.05490	11.2
93.07074	8.7
95.04977	6.1
95.08621	6.5
103.05463	7.2
105.03397	4.0
105.07036	12.5
107.04955	2.6
107.08575	4.8
109.06533	4.0
111.04440	2.3
111.20509	1.9
115.05448	7.1
117.07026	16.0
119.04916	3.9
119.08589	15.4
121.06524	4.4
121.10115	2.3
123.08081	2.3
128.06256	4.4
129.07037	8.3
130.07785	1.9
131.04935	10.5
131.08577	16.7
133.06519	4.9
133.10129	12.4
135.08060	4.1
141.06972	2.5
142.07764	6.5
143.08559	13.8
144.09149	2.0
145.06493	14.8
145.10139	7.8
147.08051	7.9
149.09621	2.9
151.07547	3.3
153.07016	1.9
155.08559	6.3
156.09351	6.4
157.06554	4.1
157.10143	20.0
159.08081	6.7
159.11736	4.8
161.06003	4.4
161.09605	6.4
162.06772	2.1
163.07520	3.6
163.11226	3.2
165.06900	2.4
165.09109	2.8
167.08551	3.1
169.10146	13.5
170.10934	5.7
171.08101	5.3
171.11711	25.5
173.06009	2.6
173.09633	10.0
173.13243	3.4
175.07542	7.9
176.08395	2.1
177.09134	15.5
179.07080	2.9
179.08537	2.3
180.09296	1.9
181.10094	4.2
183.08131	3.2
183.11726	21.3
184.08867	1.8
184.12350	2.0
185.09630	5.4
185.13260	20.6
187.07466	1.9
187.11203	5.3
189.05518	1.9
189.09103	7.6
191.10670	4.9
192.09387	2.8
193.10176	3.6
194.10837	2.0
195.08028	2.1
195.11726	7.7
197.09662	5.5
197.13251	5.5
198.10376	4.8
199.07573	2.0
199.11180	10.5
201.09088	2.4
201.12849	3.0
203.10658	2.1
205.08537	6.8
205.10274	2.6
205.12177	2.8
206.10945	3.3
207.11751	7.1
209.09676	2.9
209.13281	5.6
211.11218	5.4
213.12727	22.4
215.10704	6.0
215.14281	2.1
215.91956	1.7
217.10321	2.6
217.12271	2.0
218.10948	2.7
219.11781	2.9
220.12376	2.6
221.13222	6.7
223.11253	2.8
225.09203	2.2
225.12680	2.3
227.10617	3.0
229.10141	4.1
229.12250	3.5
231.11713	5.3
231.13878	5.0
232.12610	2.9
233.09612	2.2
233.13243	5.5
234.13928	3.2
235.11241	3.4
235.14700	2.5
237.12720	2.6
241.12303	4.3
243.11810	3.2
243.13879	4.8
245.13354	2.4
245.15359	10.2
247.11116	3.7
247.14894	3.6
249.12627	3.4
249.16486	2.9
251.14389	3.9
254.10847	1.9
255.09830	2.1
257.13263	6.1
258.13974	4.1
259.15027	3.8
260.15469	2.1
261.12726	5.0
261.16412	4.6
262.13403	3.0
267.11694	2.5
269.13104	2.4
270.14011	2.2
271.14914	2.0
272.15500	2.5
273.12274	2.1
273.14981	6.7
273.65756	2.0
275.14499	3.3
275.17896	4.6
277.15814	3.9
281.13068	3.5
283.11243	2.0
283.14713	3.6
285.16312	3.6
286.13425	2.7
287.17905	3.3
291.17389	3.3
297.16553	2.3
299.14468	2.6
299.17825	3.1
301.15939	3.3
301.19241	2.2
303.13983	3.5
303.17371	4.5
305.32703	2.1
313.15756	4.0
315.13461	2.1
315.17413	3.0
317.15302	2.4
319.16821	5.2
321.18546	3.7
327.13742	2.3
327.17462	2.5
329.18970	2.6
331.17130	5.8
333.18372	3.5
337.18146	3.4
342.16138	2.8
343.16888	5.6
345.18491	3.9
347.16309	2.5
348.16772	2.3
349.17960	3.2
357.18610	8.3
359.16263	5.1
373.18030	6.1
375.19394	6.4
377.17358	5.1
385.17935	3.8
387.19659	3.8
389.21216	8.7
391.19055	4.8
395.18469	2.6
401.17297	2.1
403.19116	4.6
405.20529	3.1
407.18085	2.4
417.20663	10.2
419.18048	2.7
423.21878	2.7
431.22232	3.9
433.19781	2.6
435.21829	7.1
437.19284	2.9
449.23227	11.9
451.21161	5.4
455.20288	2.1
469.21860	5.3
477.22574	4.1
509.24899	7.0
524.24799	2.5
537.24982	4.1
569.27716	9.1
651.31415	2.0
669.32208	26.2
729.37158	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	729.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.05513	61.5
67.05510	3.5
69.03457	1.6
69.07056	2.7
77.65058	1.7
79.05495	7.2
80.15639	1.5
81.03417	2.7
81.07047	5.0
83.04984	100.0
85.02892	2.1
91.05487	11.4
91.36986	1.6
93.07048	9.0
95.04979	3.2
95.08604	7.0
97.06535	2.3
98.20723	4.1
103.05504	4.8
105.07028	12.5
107.04953	6.4
107.08595	7.6
109.06519	4.5
115.05462	2.5
117.07022	5.8
119.04923	2.4
119.08588	12.9
121.06487	2.9
121.10141	4.0
123.04455	2.1
123.08112	3.0
128.06310	3.9
129.07010	4.2
131.04959	8.3
131.08585	6.3
133.06509	5.3
133.10120	11.2
135.08054	5.5
137.05983	2.9
140.07039	1.7
141.07024	2.8
143.08572	8.4
145.06471	4.3
145.10138	6.2
147.04364	1.6
147.08058	8.9
149.05974	3.3
149.09618	3.7
153.07013	2.1
155.08578	4.8
156.09341	5.5
157.10136	15.8
158.34206	1.7
159.08076	5.9
159.11662	5.3
161.05986	6.0
161.09598	7.4
163.07529	2.2
167.08580	3.3
168.09381	2.4
169.06435	2.3
169.10088	10.1
170.10915	4.2
171.08072	3.4
171.11705	25.0
173.09595	10.4
175.07617	2.4
177.09106	3.7
179.07127	3.3
181.10060	3.9
183.08081	4.7
183.11710	26.5
185.09674	3.9
185.13269	10.2
187.07549	2.9
187.11218	4.3
191.10678	2.5
192.09410	2.3
193.08524	1.9
193.10115	4.1
194.10983	3.6
195.11688	5.6
197.09590	6.6
197.13235	3.2
199.07571	1.7
199.11188	8.8
201.09181	3.4
201.12822	2.9
203.10838	2.1
205.10144	1.9
206.10855	3.0
207.11707	5.5
208.12459	2.2
209.09653	2.2
209.13255	4.1
211.11183	7.3
213.09102	1.8
213.12767	10.3
215.10521	3.1
217.10147	3.0
218.10933	2.0
219.11771	4.3
220.12537	2.9
221.13255	4.5
223.11241	3.0
223.14795	3.0
227.10695	2.0
229.12262	5.2
230.10954	2.8
231.11844	2.8
231.13728	9.1
232.12285	3.0
233.13266	4.7
235.11240	3.2
235.14833	4.5
236.11905	2.5
237.12694	3.3
241.10155	3.2
241.12244	3.7
243.11726	3.3
243.13876	3.0
244.12506	2.2
245.13274	5.8
245.15494	3.4
246.10381	2.6
246.14041	4.4
247.11128	3.7
247.14862	5.8
248.11884	1.9
249.12592	2.7
249.16368	5.7
251.14348	2.5
253.15721	1.8
256.12460	2.3
257.13409	3.7
258.14020	3.5
259.10938	3.2
259.13107	2.4
259.15121	3.8
260.15677	3.0
261.12756	3.6
261.16309	6.2
263.14252	3.7
263.17911	4.0
267.10352	1.9
270.13956	1.9
271.14783	4.2
272.11844	3.0
273.12698	4.6
273.16519	2.4
274.13388	2.7
275.14438	2.0
275.17935	4.8
276.14948	3.2
277.15906	4.7
285.12885	3.0
285.16321	4.1
286.13504	2.5
287.14343	4.2
287.17548	1.9
288.15186	2.1
289.15921	7.4
291.17462	4.2
293.19055	2.3
298.13416	2.0
299.14355	2.1
301.15656	4.8
302.16357	2.9
303.14261	2.1
303.17514	6.7
305.15524	2.0
307.16928	3.6
309.18527	3.4
313.15894	3.4
319.16882	5.4
321.18561	9.4
327.13919	2.1
331.16885	6.5
333.18469	3.9
337.18100	5.3
341.15311	4.6
345.18414	4.0
349.18021	6.8
355.16833	2.6
359.16650	9.5
363.19550	4.3
373.17926	8.7
377.17444	10.7
383.16263	2.5
389.17081	2.1
391.19244	12.1
393.20648	2.3
395.18521	4.6
401.17670	11.0
403.18860	2.9
405.20551	3.1
407.18329	1.8
409.20123	5.8
411.21747	3.3
419.18594	13.6
423.21637	3.9
433.20023	7.8
437.19611	12.9
441.21942	2.1
451.21310	10.2
455.20529	4.4
469.22366	9.8
497.21506	2.6
519.23969	2.5
529.24249	4.1
537.24506	2.9
551.27026	2.3
555.25482	3.3
637.29834	3.1
729.35773	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	729.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.8
53.03944	3.4
55.01876	9.4
55.05513	1.6
58.02518	0.6
65.03934	1.0
67.05502	6.0
69.03439	6.9
69.07042	0.8
77.03500	0.7
77.03920	1.4
79.05502	7.6
81.03420	7.0
81.07053	4.8
83.04989	1.3
85.06525	1.0
87.04494	0.9
91.05486	19.6
92.05812	0.7
93.07054	6.1
95.04974	9.9
95.08614	2.6
97.06512	1.0
97.10142	0.7
103.05473	54.2
105.04539	1.6
105.07032	12.1
107.04958	1.8
107.08659	3.6
107.09218	0.8
109.06520	3.4
109.10194	1.5
110.97384	0.7
113.06002	0.9
115.05460	8.2
116.06224	2.4
117.07027	17.9
119.04962	1.2
119.08588	24.9
121.06509	2.9
121.10152	1.8
128.06201	4.5
129.07007	12.6
130.07787	3.3
131.04935	100.0
131.08585	12.7
132.05751	1.3
133.06491	2.1
133.10103	5.3
135.08093	5.1
135.11717	0.7
141.07010	3.3
142.07770	4.3
143.08577	10.9
144.05698	1.9
144.09320	1.8
145.06483	15.5
145.10132	11.2
147.08057	50.1
147.11742	1.0
148.08423	1.0
149.09653	6.2
153.07092	1.1
154.07848	1.4
155.06059	1.0
155.08578	5.9
156.09360	3.8
157.10149	18.2
158.07263	2.9
158.10896	1.0
159.08063	24.2
159.11687	18.9
161.05986	1.0
161.09630	14.0
163.07547	52.3
165.07039	2.5
166.07828	1.0
167.08578	2.0
168.09348	2.9
169.10152	14.1
170.10878	4.2
171.08060	3.2
171.11700	11.4
172.08937	2.5
173.05991	2.5
173.09633	20.9
173.13239	4.7
175.07547	4.7
175.11179	0.9
177.09157	1.9
179.08580	1.8
180.09312	1.4
181.10181	3.3
183.08148	1.6
183.11711	27.8
184.07381	1.9
184.08905	1.1
185.09624	7.0
185.13268	17.9
186.10410	1.0
187.07553	3.5
187.11188	9.3
189.09074	2.2
191.08667	1.1
191.10683	1.3
192.09380	1.5
193.10104	3.8
193.12209	0.7
195.08060	1.0
195.11742	4.1
196.08820	1.4
197.09703	7.4
197.11443	1.2
197.13252	1.9
199.11154	7.2
199.14708	1.1
201.09102	9.4
201.12752	14.1
203.08841	0.9
203.10620	1.8
205.10258	1.2
205.12193	1.5
206.10970	1.6
207.11691	4.3
209.09653	2.8
209.13312	1.4
211.11156	7.3
213.09215	1.7
213.12695	4.3
215.10765	3.1
216.09325	0.9
217.10254	1.7
217.12230	1.6
219.11758	1.3
221.09639	1.1
221.13284	3.6
223.11217	3.4
225.09169	1.1
225.12801	1.9
227.10704	3.6
229.10194	1.4
229.12241	11.9
230.10893	1.4
231.11714	2.5
231.13823	1.5
232.12411	1.3
233.09605	1.1
233.11626	1.4
233.15298	4.6
235.11267	1.9
237.12762	3.3
239.10706	1.9
239.14461	0.9
241.12300	1.0
243.11707	1.9
243.13843	5.9
244.12433	0.9
245.09598	1.4
245.13364	1.7
245.15495	1.6
247.11166	1.3
247.15065	1.4
249.12766	3.1
251.14249	1.3
253.12265	1.3
255.13918	1.9
256.12485	1.6
257.13315	2.7
258.10596	1.0
258.13956	1.7
259.11185	1.6
259.13354	6.4
261.12576	1.4
261.14700	5.5
263.10431	1.1
263.14218	1.8
267.11569	1.2
267.13992	1.0
269.13385	1.1
270.10397	0.9
270.14197	1.7
271.10867	1.0
271.13126	1.9
272.12082	1.4
272.15616	2.2
273.12720	2.3
274.13568	1.3
275.14337	1.8
277.12369	1.2
277.15784	1.0
279.13821	1.2
281.13254	1.5
282.14108	1.4
283.11008	1.2
283.15121	0.8
284.12006	0.9
285.12766	3.6
285.16095	1.1
286.13693	1.4
286.16873	1.5
287.14380	2.7
287.17801	1.6
289.14371	2.4
297.16385	0.9
299.14377	3.3
300.15060	3.1
301.15848	1.7
305.18967	0.9
309.12711	0.9
310.13474	1.0
311.17606	1.2
312.15060	1.0
313.12143	1.9
313.15970	2.5
314.16602	2.0
315.13828	0.9
315.17383	13.9
317.15292	1.2
324.15253	1.3
325.15964	2.6
327.13635	1.8
328.14557	1.4
329.18994	8.8
331.16763	1.6
333.18481	3.4
339.17480	2.5
341.15457	2.2
342.16187	1.7
343.17072	3.6
347.20224	2.0
357.18503	11.9
361.18033	2.5
373.18207	1.5
375.19644	6.5
385.17786	3.7
389.21140	14.8
399.19571	1.6
403.18777	4.3
407.22134	5.8
417.20544	12.4
435.21704	9.5
459.21469	1.5
503.24445	1.8
521.25165	2.3
636.09985	0.9
645.30890	0.8
729.30219	12.8
729.41772	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03943	1.0
55.01870	1.2
61.02896	0.8
65.03619	1.0
65.03943	11.7
66.04720	0.9
66.69220	0.6
67.05491	2.6
69.03422	1.9
69.07045	1.3
69.61047	1.7
69.61464	2.6
71.04959	0.7
78.04720	1.3
79.05484	4.1
81.03426	1.8
81.07065	1.5
82.04186	1.4
85.02894	3.4
89.03885	0.7
91.05486	6.5
93.03404	10.0
93.07048	1.2
94.04187	0.9
95.01312	1.6
95.04979	2.2
95.08624	0.8
97.02901	1.3
97.06490	0.7
98.21480	1.3
103.05447	3.0
105.03364	0.8
105.07040	6.5
107.04955	7.6
109.02870	1.0
110.03663	10.1
111.03716	0.8
111.04446	11.7
115.05454	2.2
116.06300	0.7
117.07020	1.1
118.04127	1.1
119.04945	5.5
119.08573	1.6
121.06535	0.7
122.03680	1.3
123.04424	3.9
124.05196	1.9
125.05999	14.8
128.06209	1.8
129.07001	2.9
131.04935	4.3
131.08571	0.8
132.05693	1.6
133.02872	2.9
133.06490	4.3
135.11722	0.6
136.05190	1.1
137.05981	9.0
138.03134	1.8
144.05724	1.5
145.06458	1.3
146.03645	0.8
146.07233	0.7
147.04420	7.7
147.08032	1.8
149.05998	2.1
151.03943	1.0
151.07538	1.1
152.04758	0.7
153.05472	70.8
155.04861	0.8
156.05663	1.0
157.06508	0.7
159.08052	5.1
160.05203	1.2
161.05963	5.1
163.04137	0.8
163.07541	1.4
164.04709	0.8
165.05486	0.8
167.07047	43.6
169.06505	1.0
171.04410	1.1
172.05167	1.2
173.05971	0.9
175.07544	9.1
177.05521	2.2
177.06908	0.7
178.07788	1.8
179.06979	4.0
179.08405	0.7
184.05136	1.1
185.05997	2.8
186.06786	2.8
187.07567	10.3
189.05460	4.0
189.07057	1.8
189.09003	0.7
190.07785	2.7
191.07149	4.4
191.08379	4.1
193.10275	0.7
194.07196	0.7
195.08000	0.8
198.06830	1.3
199.07590	5.3
201.05472	1.1
202.07777	2.5
203.08578	3.8
204.09300	1.0
205.06479	2.9
206.07269	2.7
207.06415	1.5
207.08083	1.9
208.08879	2.3
209.09744	1.0
215.08694	1.0
216.07796	8.2
217.06541	1.0
218.07204	4.4
219.08072	8.9
220.08806	4.1
221.05981	1.9
221.09694	3.0
222.06784	0.8
223.07474	1.4
229.08583	8.7
230.07335	1.1
231.08127	3.6
232.08858	0.8
233.05972	2.7
233.09634	3.7
234.06723	2.7
235.07549	6.6
236.08293	6.1
237.09123	2.5
239.06966	1.0
244.78114	0.6
245.05928	1.6
245.09691	1.0
246.06813	2.1
247.07527	6.1
247.71864	0.7
248.08319	5.1
249.05495	1.8
249.09138	6.9
250.06348	1.0
250.09869	1.8
251.07127	1.7
251.10681	14.1
253.08685	1.7
257.05872	0.8
259.07547	1.8
260.08365	2.0
261.05502	2.1
261.09021	4.7
262.06238	0.9
262.09918	1.6
263.07086	4.1
263.10669	2.6
264.07794	11.8
265.08606	9.3
266.09464	1.7
274.06335	1.4
275.06937	3.1
276.07813	8.5
277.08548	6.7
278.09329	4.3
279.07004	1.2
279.10110	9.2
280.10809	1.2
281.08212	1.7
281.11786	4.3
283.09561	0.8
288.07800	1.5
289.08533	3.7
290.09415	1.9
291.06812	1.3
291.10190	4.3
292.07361	2.8
292.10672	0.7
293.08118	5.6
293.11417	1.2
294.08798	1.6
295.09659	1.9
296.10559	0.9
301.08621	0.7
304.07220	1.9
305.08176	2.1
306.08798	1.8
307.09650	37.5
308.10413	7.9
309.07965	1.0
309.11212	5.6
310.11713	0.9
311.12839	3.0
319.09647	8.9
320.10349	2.2
321.11392	4.2
322.11777	0.9
323.12845	5.6
324.10046	1.2
326.11349	0.8
336.09894	1.5
337.10629	2.8
337.14453	0.9
338.11197	0.8
339.12286	100.0
340.12775	2.6
341.13904	12.4
351.12268	32.0
352.13049	1.9
353.13901	4.3
369.13339	2.7
463.29196	2.0
499.17438	1.8
730.27820	1.0
754.27106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03943	1.0
55.01870	1.2
61.02896	0.8
65.03619	1.0
65.03943	11.7
66.04720	0.9
66.69220	0.6
67.05491	2.6
69.03422	1.9
69.07045	1.3
69.61047	1.7
69.61464	2.6
71.04959	0.7
78.04720	1.3
79.05484	4.1
81.03426	1.8
81.07065	1.5
82.04186	1.4
85.02894	3.4
89.03885	0.7
91.05486	6.5
93.03404	10.0
93.07048	1.2
94.04187	0.9
95.01312	1.6
95.04979	2.2
95.08624	0.8
97.02901	1.3
97.06490	0.7
98.21480	1.3
103.05447	3.0
105.03364	0.8
105.07040	6.5
107.04955	7.6
109.02870	1.0
110.03663	10.1
111.03716	0.8
111.04446	11.7
115.05454	2.2
116.06300	0.7
117.07020	1.1
118.04127	1.1
119.04945	5.5
119.08573	1.6
121.06535	0.7
122.03680	1.3
123.04424	3.9
124.05196	1.9
125.05999	14.8
128.06209	1.8
129.07001	2.9
131.04935	4.3
131.08571	0.8
132.05693	1.6
133.02872	2.9
133.06490	4.3
135.11722	0.6
136.05190	1.1
137.05981	9.0
138.03134	1.8
144.05724	1.5
145.06458	1.3
146.03645	0.8
146.07233	0.7
147.04420	7.7
147.08032	1.8
149.05998	2.1
151.03943	1.0
151.07538	1.1
152.04758	0.7
153.05472	70.8
155.04861	0.8
156.05663	1.0
157.06508	0.7
159.08052	5.1
160.05203	1.2
161.05963	5.1
163.04137	0.8
163.07541	1.4
164.04709	0.8
165.05486	0.8
167.07047	43.6
169.06505	1.0
171.04410	1.1
172.05167	1.2
173.05971	0.9
175.07544	9.1
177.05521	2.2
177.06908	0.7
178.07788	1.8
179.06979	4.0
179.08405	0.7
184.05136	1.1
185.05997	2.8
186.06786	2.8
187.07567	10.3
189.05460	4.0
189.07057	1.8
189.09003	0.7
190.07785	2.7
191.07149	4.4
191.08379	4.1
193.10275	0.7
194.07196	0.7
195.08000	0.8
198.06830	1.3
199.07590	5.3
201.05472	1.1
202.07777	2.5
203.08578	3.8
204.09300	1.0
205.06479	2.9
206.07269	2.7
207.06415	1.5
207.08083	1.9
208.08879	2.3
209.09744	1.0
215.08694	1.0
216.07796	8.2
217.06541	1.0
218.07204	4.4
219.08072	8.9
220.08806	4.1
221.05981	1.9
221.09694	3.0
222.06784	0.8
223.07474	1.4
229.08583	8.7
230.07335	1.1
231.08127	3.6
232.08858	0.8
233.05972	2.7
233.09634	3.7
234.06723	2.7
235.07549	6.6
236.08293	6.1
237.09123	2.5
239.06966	1.0
244.78114	0.6
245.05928	1.6
245.09691	1.0
246.06813	2.1
247.07527	6.1
247.71864	0.7
248.08319	5.1
249.05495	1.8
249.09138	6.9
250.06348	1.0
250.09869	1.8
251.07127	1.7
251.10681	14.1
253.08685	1.7
257.05872	0.8
259.07547	1.8
260.08365	2.0
261.05502	2.1
261.09021	4.7
262.06238	0.9
262.09918	1.6
263.07086	4.1
263.10669	2.6
264.07794	11.8
265.08606	9.3
266.09464	1.7
274.06335	1.4
275.06937	3.1
276.07813	8.5
277.08548	6.7
278.09329	4.3
279.07004	1.2
279.10110	9.2
280.10809	1.2
281.08212	1.7
281.11786	4.3
283.09561	0.8
288.07800	1.5
289.08533	3.7
290.09415	1.9
291.06812	1.3
291.10190	4.3
292.07361	2.8
292.10672	0.7
293.08118	5.6
293.11417	1.2
294.08798	1.6
295.09659	1.9
296.10559	0.9
301.08621	0.7
304.07220	1.9
305.08176	2.1
306.08798	1.8
307.09650	37.5
308.10413	7.9
309.07965	1.0
309.11212	5.6
310.11713	0.9
311.12839	3.0
319.09647	8.9
320.10349	2.2
321.11392	4.2
322.11777	0.9
323.12845	5.6
324.10046	1.2
326.11349	0.8
336.09894	1.5
337.10629	2.8
337.14453	0.9
338.11197	0.8
339.12286	100.0
340.12775	2.6
341.13904	12.4
351.12268	32.0
352.13049	1.9
353.13901	4.3
369.13339	2.7
463.29196	2.0
499.17438	1.8
730.27820	1.0
754.27106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01868	2.0
55.05513	38.9
57.03440	12.9
57.07078	16.6
58.48789	1.1
59.04978	1.7
65.03939	3.3
67.05508	96.7
68.05814	1.2
69.03436	1.6
69.07071	49.2
71.05000	5.6
71.08630	10.0
79.05497	61.2
81.03413	1.5
81.07061	100.0
83.04967	5.0
83.08620	40.2
85.06536	4.0
85.10180	5.5
91.05486	41.9
93.07046	70.9
95.04959	5.6
95.08612	75.9
96.08949	1.6
97.06538	18.8
97.10178	20.9
97.93439	1.2
99.08091	2.8
101.06044	2.0
105.04498	2.5
105.06401	1.5
105.07039	20.0
107.08598	40.5
109.06528	2.5
109.10160	37.1
111.08090	11.3
111.11724	5.0
115.07566	4.7
117.07028	7.3
119.08592	19.3
121.10147	66.2
122.10470	1.4
123.08044	2.0
123.11719	17.2
125.09675	9.3
125.13349	1.3
129.07022	2.1
131.08583	11.3
133.10135	22.7
135.08014	1.2
135.11691	45.0
136.12016	1.3
137.09656	2.9
137.13239	2.9
139.11186	9.0
143.08540	2.0
145.10132	9.9
147.11674	11.4
149.09616	1.8
149.13261	20.3
151.11151	3.3
153.12788	7.1
157.10158	2.1
159.11697	9.4
161.13261	7.4
163.11220	2.9
163.14806	4.5
165.12796	1.2
167.14308	5.1
171.11743	2.4
173.11964	1.7
173.13234	5.8
175.14960	2.1
177.12784	4.1
179.14317	1.3
181.15968	1.9
185.13274	3.0
187.14748	1.6
199.14828	1.2
205.19524	14.3
215.18062	2.3
223.20589	8.7
229.14247	1.5
233.19044	2.3
241.19447	6.4
251.20090	4.9
256.99054	1.3
257.81909	1.1
259.20581	22.7
261.21930	2.1
269.21124	4.2
271.19086	7.1
277.21686	14.1
287.22174	52.5
315.23175	4.7
325.23746	69.1
333.24219	20.8
335.25766	10.6
341.19519	1.8
341.23282	4.1
343.24802	30.2
351.25302	57.8
399.27460	37.1
404.71753	1.2
415.26862	3.1
417.28500	39.0
418.28329	1.3
468.37427	2.1
531.39978	5.3
559.31964	1.8
579.60144	1.3
583.43243	2.3
595.25952	1.3
601.44720	6.6
619.45557	8.3
657.46722	2.6
675.48254	25.4
693.49377	66.9
694.49597	4.5
697.27930	1.4
728.47668	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	728.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11487	0.7
53.03948	3.2
55.01874	2.0
55.05516	25.7
57.03193	1.1
57.03447	14.3
57.07081	8.4
59.94469	0.7
61.02942	3.6
65.03946	4.1
67.05510	86.2
68.05850	1.1
69.03436	2.0
69.07074	35.2
69.45403	3.4
69.45811	1.6
71.04997	6.9
71.08632	5.1
73.02917	1.0
73.06546	0.8
79.05495	43.5
81.03436	1.3
81.07061	90.1
83.04984	4.3
83.08624	26.6
85.02932	3.8
85.06546	8.6
85.10197	2.3
91.03927	1.8
91.04908	1.2
91.05489	26.5
93.07050	53.3
95.04974	3.0
95.08612	100.0
96.08947	0.9
97.02892	2.9
97.06540	12.0
97.10175	11.4
99.08092	1.9
101.05984	1.4
104.89014	0.8
105.04512	1.9
105.07039	14.8
107.08603	29.2
109.06522	2.1
109.10165	34.5
111.08092	6.7
111.11736	2.6
113.05975	1.1
113.09652	1.1
115.07585	2.0
117.07005	6.2
119.08588	14.9
121.10153	37.9
122.10399	0.8
123.08099	2.7
123.11728	7.6
125.09665	5.1
127.11230	0.7
129.07042	1.2
129.09123	1.6
131.08578	11.4
133.10141	15.7
133.11092	1.2
135.11705	27.3
137.09621	3.0
137.13196	3.6
139.11211	3.5
143.08594	2.1
145.10129	6.0
147.11690	7.5
149.13272	12.1
151.11195	2.3
151.14909	1.8
153.12769	3.3
159.11684	6.9
161.13255	13.2
163.11235	1.1
163.14806	4.1
167.14359	2.3
173.13278	5.1
175.14798	1.8
177.12752	1.8
177.16397	1.1
179.14305	5.5
181.15909	1.1
185.13293	1.6
187.14857	1.8
195.13884	0.9
197.15471	2.1
199.14801	0.9
205.19508	6.9
215.16312	1.1
223.20630	3.3
233.18933	1.0
241.19580	2.6
243.21086	2.8
251.20119	2.0
259.20596	11.6
261.22208	7.8
269.17538	2.5
269.21167	1.4
271.19055	67.5
272.19626	1.4
277.21652	6.0
287.22192	18.8
306.41342	0.9
314.16220	0.8
315.23264	1.4
316.67911	0.8
317.24799	1.3
325.23730	33.9
326.24335	0.9
333.24170	7.6
335.25806	72.2
336.26144	2.3
343.24814	13.8
351.25287	29.5
399.27383	10.5
417.28503	22.8
417.34009	1.5
439.35617	1.8
478.46750	0.9
513.40253	0.9
531.40497	60.4
532.40698	4.9
549.41681	1.1
586.71765	0.8
601.44727	3.4
619.45306	2.4
675.48456	10.5
693.49457	19.6
694.49347	1.1
728.47968	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	728.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49972	0.6
53.03937	2.5
55.01864	2.8
55.05514	9.3
57.03439	5.9
57.07071	1.9
58.06128	0.6
61.02917	1.3
65.03938	2.1
67.05507	42.6
68.05811	0.8
69.03426	2.5
69.07067	12.1
69.30490	6.1
71.04986	3.1
71.08631	1.1
73.02922	0.9
79.05497	21.2
79.05961	1.2
81.03417	3.4
81.07060	39.3
82.06952	0.7
82.07410	0.8
83.04996	6.0
83.08611	4.1
85.02911	1.9
85.06548	4.1
85.27379	0.6
91.05487	27.5
93.06480	1.4
93.07053	25.2
95.04988	4.4
95.08604	19.5
97.02911	0.9
97.06535	2.5
97.10152	1.4
99.04446	1.7
99.08088	0.9
105.07040	21.7
107.08600	23.9
109.05840	0.8
109.06503	3.8
109.10160	41.8
111.08076	1.0
113.06026	1.5
113.96385	0.7
117.07049	2.8
119.08591	7.9
120.08968	0.7
121.10160	7.9
123.11702	6.8
127.07536	2.3
129.05269	0.7
131.08601	6.7
133.10136	48.7
135.08073	0.8
135.11731	5.3
137.38495	0.7
139.47321	0.7
143.08618	0.8
145.10117	2.7
147.11678	2.4
149.13248	3.1
151.11191	22.0
159.11719	2.1
161.09576	1.9
161.13232	2.0
163.14795	1.6
169.12267	2.8
173.13274	2.4
187.14761	0.8
201.16058	0.8
215.12845	2.4
229.95154	0.8
243.21103	2.6
243.81917	0.8
253.14368	100.0
254.14685	0.8
254.43413	0.7
261.22144	9.1
271.15405	26.4
279.23230	1.2
315.22705	0.8
317.24677	1.6
335.25824	42.0
341.15875	1.2
429.60120	0.8
439.32108	1.0
457.33023	1.5
468.37772	1.2
503.37253	1.8
513.35754	7.3
531.36816	47.1
532.37073	2.1
728.36578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
54.14622	0.7
54.68727	0.8
55.01865	3.1
55.05261	1.1
55.05509	8.3
57.03440	6.4
57.07071	1.7
59.83657	0.7
61.02913	1.2
65.03930	1.6
67.05507	40.1
69.03414	2.2
69.06788	0.9
69.07075	9.3
71.04998	4.0
73.02923	1.3
79.05068	1.0
79.05499	16.5
81.03408	2.9
81.07057	38.3
83.04987	4.6
83.08611	3.7
85.02889	1.8
85.06547	3.8
91.05480	27.2
92.78412	0.7
93.07048	21.0
94.07420	1.0
95.04977	4.5
95.08613	15.8
97.06515	2.6
97.10145	1.5
99.04435	2.1
101.05962	0.8
105.07034	25.1
107.04953	1.2
107.07870	1.1
107.08598	22.9
109.06537	3.9
109.10159	43.5
113.05973	1.0
115.07552	1.0
117.07019	2.2
119.08591	5.3
121.10142	8.3
123.08076	1.3
123.11724	10.1
127.07565	1.8
129.07050	0.9
131.08553	3.5
133.10136	47.8
135.11682	5.9
137.09616	0.8
143.08578	0.9
145.10100	2.8
147.11661	1.6
149.13252	3.0
151.11185	21.7
159.11702	3.1
161.09656	1.9
161.13234	1.2
163.14830	1.3
169.12241	3.8
173.13268	2.5
179.10638	1.3
187.97069	0.8
215.12752	2.5
243.21121	3.4
253.14363	100.0
254.14752	2.5
261.22098	10.4
271.15417	28.5
279.23282	1.3
301.08057	0.9
312.37848	0.8
317.25000	1.0
335.25815	26.6
336.26544	1.4
367.99948	0.9
427.14203	0.8
439.32074	1.8
513.35883	8.6
531.36829	35.7
532.36871	1.8
549.38300	0.8
728.46735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01866	4.7
55.05515	13.6
57.03438	11.2
61.02907	0.8
67.05185	1.3
67.05510	18.4
69.03436	4.2
69.07063	6.3
69.19621	7.7
70.06589	1.7
71.04993	7.4
79.05495	27.1
80.35661	0.8
81.03421	43.5
81.07063	21.1
83.04990	8.0
83.08161	0.9
83.08622	15.4
83.90604	0.7
84.08144	2.6
85.02897	3.4
85.06527	0.9
87.04436	0.8
91.04961	1.4
91.05486	17.3
93.06484	1.2
93.07052	22.0
95.04974	20.0
95.08615	12.8
97.02876	2.3
97.06559	5.5
97.10175	11.9
98.20776	1.6
99.04453	1.2
99.08122	0.9
103.05489	1.4
105.06380	1.2
105.07029	12.3
107.04961	25.2
107.08602	14.7
108.69060	0.8
109.02870	0.9
109.05794	1.6
109.06527	31.2
109.10178	4.6
111.04426	2.9
111.08087	3.2
115.05431	1.7
116.07087	1.2
117.06992	4.4
119.04921	0.9
119.08582	11.9
121.06509	17.0
121.10156	14.9
123.04436	1.9
123.08088	4.7
125.05991	1.2
125.09639	11.1
129.07013	8.0
131.04942	1.6
131.08572	15.6
133.06494	3.7
133.10136	5.2
135.04477	1.1
135.08064	12.2
135.11679	1.8
137.05981	2.5
137.09615	1.1
139.11220	5.3
141.06999	1.4
142.07751	1.5
143.08569	2.8
145.06529	4.3
145.10133	5.4
147.04427	2.2
147.08061	5.5
147.11700	4.7
149.09644	7.4
151.07475	1.5
153.09157	1.9
155.08588	1.9
157.10117	5.2
159.08018	2.3
159.11708	2.2
161.06024	1.4
161.09651	2.0
163.11230	4.4
165.12737	1.5
167.07092	0.9
167.10654	1.0
169.10091	1.3
171.07956	1.3
171.10277	1.6
171.11717	2.8
173.09651	2.2
173.13274	5.8
175.11195	4.7
181.10068	1.0
183.56425	0.9
185.11708	2.3
187.11237	1.1
187.14857	1.5
189.11223	2.7
189.12764	1.5
191.14305	8.9
193.12273	11.9
195.11641	1.2
197.13316	0.9
199.11143	1.4
201.12646	2.2
203.14172	1.0
203.89122	1.0
205.12234	1.9
209.28459	0.9
211.13275	1.4
213.12715	1.0
215.10704	1.3
215.14328	2.3
217.12271	1.0
219.13803	22.2
221.15231	1.0
223.13298	1.4
225.12793	1.2
227.12669	1.2
229.14313	0.9
229.57439	0.9
231.13817	1.0
233.15390	2.3
237.14821	1.0
249.14815	1.7
255.13841	1.7
259.12955	1.9
259.15427	20.7
267.15918	36.5
273.14810	5.6
275.16345	1.2
293.17474	15.6
311.18582	1.1
339.23163	2.5
349.21606	2.9
357.24231	2.0
367.22711	10.2
385.23676	16.9
403.24814	5.9
433.25696	3.3
441.26556	4.8
449.28867	1.4
451.26978	14.3
459.27423	78.6
460.27682	1.2
461.28580	1.9
477.28491	100.0
478.28726	2.7
495.29611	23.7
501.28345	2.3
514.28247	0.8
534.18622	1.7
567.29144	2.1
577.89740	0.9
585.30408	1.0
728.26636	1.4
728.39685	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.4
55.01878	2.7
55.05513	6.1
57.31151	1.8
67.05496	6.7
68.36152	2.2
69.03425	2.1
69.07061	2.8
69.81384	9.2
71.04974	2.0
72.08165	32.0
74.09727	9.7
77.03960	2.1
78.20760	2.3
79.05489	8.0
81.07079	12.0
83.04980	8.1
91.05491	10.4
93.07044	11.0
95.04959	10.9
95.08596	10.6
97.06504	2.6
103.05485	39.5
105.03410	25.7
105.07047	16.6
107.04964	3.7
107.08615	10.1
109.06522	4.4
109.10167	2.4
117.07031	8.1
119.08585	25.0
121.06535	4.8
121.10148	5.6
123.04446	2.2
123.08083	2.8
128.06180	4.0
129.07028	4.4
130.07779	2.5
130.08682	2.9
131.04939	100.0
131.08557	10.0
133.06528	2.4
133.10149	18.0
135.08070	3.4
136.06181	4.0
141.07022	3.5
142.07765	5.7
143.08609	9.3
144.09413	1.9
145.06490	3.7
145.10123	13.7
147.08075	10.3
147.11847	2.0
149.09633	4.2
153.06926	2.0
155.08633	4.4
156.09393	5.5
157.10143	22.4
159.08035	5.7
159.11737	6.8
161.09602	7.5
163.07541	3.6
165.07050	2.7
167.08492	3.4
168.09338	3.5
169.10132	17.0
170.10892	3.0
171.08037	4.1
171.11679	20.4
173.09683	6.1
173.13300	3.7
175.11215	2.9
179.08563	4.6
180.09340	2.3
181.10123	8.2
183.08128	4.2
183.11707	18.2
185.09586	4.6
185.13283	9.1
187.07494	2.9
187.11267	4.0
189.12839	3.0
191.08521	2.9
192.09250	2.1
193.10139	5.3
194.10921	3.3
195.07999	2.4
195.11722	13.4
197.13306	12.9
198.10425	3.2
199.11188	12.8
200.11975	4.9
201.09053	2.7
201.12776	3.1
206.10927	5.2
207.11731	10.9
209.13301	6.8
211.11223	6.2
213.12823	11.9
215.14339	5.3
219.11761	4.8
220.12431	3.3
221.13275	7.5
223.11215	3.4
223.14911	3.5
225.12784	4.7
227.10632	2.4
229.10291	2.7
229.12321	5.6
231.11708	5.4
232.12617	3.4
233.13329	7.9
234.13843	2.3
235.11092	3.4
235.14882	4.1
236.12012	2.7
237.12906	3.6
239.10608	2.6
239.14221	2.8
243.11671	3.8
243.13866	6.3
244.12494	2.3
245.13333	4.4
246.13879	3.6
247.11214	2.6
247.14908	5.3
249.12740	5.6
249.16380	4.3
251.14294	4.4
257.13223	6.2
258.14240	2.2
259.14850	4.7
261.16367	4.0
262.17072	3.8
263.14359	7.0
263.17609	2.0
272.15573	3.6
273.16357	2.2
275.18018	11.4
277.16669	1.8
277.19492	10.8
279.17343	3.1
287.17947	5.4
293.19064	7.8
295.20621	6.6
301.15668	2.4
303.17432	3.6
305.15677	3.6
305.18985	31.1
306.19379	2.4
312.24631	2.0
313.15765	2.9
315.17487	4.1
321.18515	2.4
323.20050	32.0
341.21082	4.4
357.18509	7.5
359.20145	5.0
363.19702	2.4
369.18442	3.9
375.19550	3.7
377.21115	3.8
387.14703	2.6
387.19452	16.3
405.20554	19.1
419.22089	3.8
423.21570	7.1
427.22638	3.3
445.23749	3.3
463.24503	3.7
476.99091	2.2
527.23901	3.5
545.25677	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	728.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72006	3.0
52.42926	2.7
53.03965	4.5
53.70210	2.3
55.01867	4.5
55.05515	41.1
56.05049	3.0
57.03432	5.6
67.05505	12.1
68.05023	13.6
69.03436	8.5
69.07066	6.5
69.45184	20.5
70.06561	4.1
79.05495	16.0
80.05009	3.0
81.03426	19.1
81.07076	16.4
82.02932	10.3
83.01339	4.7
83.04991	46.8
83.08601	5.0
84.04507	17.6
85.02905	8.3
91.05499	21.0
93.07037	16.4
94.06532	2.6
95.04987	15.3
95.08600	10.9
96.04494	7.9
97.06509	7.5
103.05460	3.0
104.09447	2.7
105.07042	26.1
107.04937	6.1
107.08626	14.2
109.06509	7.2
109.10171	5.9
110.57325	2.8
111.08073	3.9
114.05537	21.8
115.05454	8.6
117.07010	25.8
119.08602	27.0
120.04491	7.3
121.06496	4.1
121.10139	9.5
122.06007	5.9
123.08050	4.4
125.09631	4.6
128.06233	5.1
129.06989	10.6
131.08565	21.9
133.06496	6.1
133.10143	26.5
134.06027	3.1
135.08047	7.4
135.11737	5.6
137.09608	4.9
138.05515	4.7
141.07037	4.6
141.76073	2.8
142.04985	8.5
142.07806	9.2
143.04964	7.4
143.08586	21.6
144.08081	3.5
145.06493	8.7
145.10130	20.1
147.08072	9.2
147.11731	6.1
148.03931	4.5
148.07684	2.9
149.09604	6.7
153.07008	4.0
155.08600	9.2
156.09319	13.6
157.10147	23.3
159.08084	15.5
159.11703	12.0
160.07578	4.6
161.05936	3.2
161.09637	17.3
162.09146	12.2
163.11255	4.3
165.06944	4.2
166.05011	19.5
167.08478	5.6
168.06665	4.2
169.10149	16.1
170.09683	6.7
170.10936	10.3
171.08037	9.8
171.11694	34.2
172.08864	4.1
172.11191	5.1
173.09660	16.0
173.13318	5.4
174.09106	3.9
175.07587	5.1
175.11169	6.9
179.08524	4.7
179.10730	3.6
181.10110	7.8
182.10968	3.2
183.08078	5.2
183.11707	27.1
184.08879	3.5
184.11285	3.3
185.09644	10.3
185.13263	24.2
187.11153	8.1
187.14824	3.6
189.12778	4.9
193.10173	5.1
193.12253	9.4
195.11728	10.7
197.09698	14.4
197.13301	5.5
198.09122	8.3
198.10649	3.9
199.11218	29.4
200.10608	30.1
201.12762	3.5
206.11034	4.9
207.11740	6.4
209.09654	5.9
209.13370	5.8
211.11201	10.5
211.13077	3.4
212.10622	5.2
213.12756	38.2
214.12225	8.2
215.10658	3.1
219.11653	3.1
221.13234	5.2
222.10602	3.3
223.11331	5.7
225.09084	6.3
226.08546	13.6
226.12184	3.1
228.10262	14.2
229.10365	3.0
230.10791	3.1
231.11816	5.1
231.13640	13.7
233.13242	4.0
233.15315	4.0
235.11172	4.2
235.14812	5.5
237.12830	3.8
238.57323	3.4
240.10233	3.0
241.12109	4.0
242.11798	5.8
243.11705	5.3
244.09734	7.4
244.12421	4.9
245.13332	6.8
246.11342	20.4
247.11189	7.7
247.14845	4.4
249.12692	3.8
249.16676	3.5
250.14470	2.9
254.08176	3.3
254.11081	3.2
258.13977	3.5
259.13153	7.9
259.15118	5.2
260.12509	5.4
261.12662	6.9
261.16467	3.8
262.13608	3.3
265.12421	4.2
267.15921	10.3
269.13199	4.0
271.14948	5.6
272.09167	11.2
272.12317	5.5
272.15585	3.3
273.12708	6.8
273.16400	5.1
274.10776	14.3
275.14374	5.6
275.17844	4.8
277.14371	3.1
280.13254	4.3
283.14789	6.3
284.12500	3.3
285.12799	4.4
285.16452	7.2
286.10626	3.2
287.14297	6.3
289.15649	4.8
290.10306	4.0
291.17447	3.4
292.11789	19.7
296.15594	4.7
297.16208	4.4
299.17667	3.4
301.15891	6.6
306.13492	5.7
311.18140	4.4
313.19458	3.7
318.09686	6.7
319.16904	4.5
324.15094	3.7
327.17145	3.3
331.16504	3.1
339.17346	8.2
356.19757	3.7
357.18231	3.4
372.14523	3.6
384.19318	4.4
402.20547	4.3
422.21167	5.6
426.20520	3.5
428.22382	4.2
440.22311	7.9
444.21591	4.4
450.19266	5.6
456.21848	4.0
458.23151	11.6
459.27393	11.8
468.21890	13.7
472.20993	6.6
476.24487	5.7
477.28589	18.8
486.22867	31.8
488.24463	3.3
490.22061	7.8
496.21295	3.1
502.22195	9.9
504.23965	29.7
505.23990	4.5
508.23865	4.5
514.22430	26.0
520.23376	5.7
522.25024	14.6
532.23334	44.5
534.30688	5.4
538.24310	4.6
540.25653	4.6
550.24390	41.9
564.25854	6.6
568.25244	20.3
582.27002	33.7
592.25409	21.5
600.28131	6.1
610.26483	100.0
611.26990	6.4
628.27582	84.4
629.27692	6.5
692.30566	7.8
710.31641	37.8
728.33234	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	727.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
57.03425	0.5
57.07071	0.5
60.52190	0.3
64.07844	0.3
67.05508	3.7
69.07070	1.3
69.85439	1.6
71.04994	0.7
79.05508	2.2
81.07059	3.1
83.08645	0.4
83.33279	0.4
91.05492	3.0
93.07070	1.9
95.08601	1.9
97.06557	0.6
98.21466	0.4
105.07051	1.4
106.82679	0.3
107.08601	1.0
109.10173	1.8
116.07178	0.3
117.07036	0.7
118.29413	0.5
119.08603	1.3
121.10178	0.8
126.62964	0.3
131.08621	1.2
133.10165	1.2
135.11661	0.7
145.10135	0.5
147.11699	0.6
159.11632	0.4
229.14357	0.6
254.47560	0.4
254.73441	0.3
256.23514	0.4
275.20145	0.5
291.79666	0.3
335.22275	0.5
341.09247	0.4
347.21930	4.1
403.24625	2.9
408.36118	0.4
458.82684	0.4
467.37329	2.6
598.48993	0.5
727.47571	100.0
728.47766	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	726.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
54.81208	1.1
55.01874	2.9
55.05514	20.7
57.03442	14.9
57.07071	3.7
61.02929	2.9
65.03942	2.8
67.05508	73.5
69.03426	2.5
69.07073	22.6
71.05009	4.6
71.07226	2.3
71.08619	2.5
73.02901	1.9
79.05497	46.3
81.03416	3.8
81.07060	90.3
83.04985	4.8
83.08626	16.0
85.02906	7.8
85.06543	4.5
91.03944	2.7
91.05486	32.5
93.07049	64.1
95.04974	6.9
95.08613	45.1
97.02889	2.6
97.06550	7.8
97.10165	4.0
99.08097	1.7
105.07037	15.3
107.08600	36.5
109.06532	1.5
109.10159	18.5
111.08087	4.3
117.07025	10.4
117.55969	1.2
119.08582	10.0
121.06546	2.5
121.10153	22.0
123.11707	8.0
129.07013	2.3
131.08595	13.4
133.10136	18.1
135.08043	2.1
135.11707	13.3
145.10149	6.0
147.11685	6.8
149.13260	16.3
151.11197	2.7
157.10197	1.2
159.11685	11.0
161.13284	1.8
163.11247	1.7
163.14810	1.5
167.14241	1.3
173.13246	3.6
177.12759	4.3
177.16516	1.4
187.14839	1.5
195.13824	10.2
227.09773	1.2
229.14398	2.0
243.21204	2.2
255.23195	2.0
261.22202	8.0
267.16025	1.7
269.17487	75.3
293.21118	9.0
317.24844	2.8
325.24033	1.2
333.23834	1.4
335.25812	90.7
336.25961	1.9
367.24988	1.4
437.34091	4.0
459.21646	2.4
511.38458	2.0
529.38928	100.0
530.39111	3.6
547.39880	2.2
551.21082	3.2
691.47491	1.6
726.45630	1.6
727.27728	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01872	0.7
55.05261	0.9
55.05513	12.1
56.05037	4.0
57.03424	0.5
67.05508	3.3
68.05038	0.5
69.03435	1.6
69.07092	1.3
70.06598	1.8
71.04993	0.5
71.55363	0.9
72.08148	0.9
75.17552	0.4
79.05490	2.8
80.05022	0.6
80.75365	0.5
81.03421	1.8
81.07076	3.3
82.02943	2.6
82.06590	8.9
83.04992	15.8
83.08614	0.8
84.04527	0.6
84.08150	100.0
85.02901	1.2
86.09711	2.0
91.05486	3.0
93.07059	3.4
94.07376	0.6
95.04958	2.6
95.08626	1.9
96.04543	0.6
96.08125	1.0
97.02903	1.3
97.06554	1.1
98.06064	0.6
98.09689	0.6
105.07045	3.4
106.06569	0.6
107.04977	2.0
107.08589	3.1
109.02888	0.7
109.06535	1.4
109.10175	1.1
110.09680	0.5
115.05482	0.9
117.07025	2.2
119.08582	4.7
120.08110	1.8
121.06558	1.0
121.10128	2.5
122.06050	0.6
122.09682	1.2
123.08031	0.9
125.00008	1.0
127.03951	1.0
128.06288	1.0
128.07109	1.4
129.07042	1.5
130.08693	1.0
131.04948	0.8
131.08534	2.5
132.08121	1.8
133.06508	1.1
133.10133	6.0
135.08095	2.0
135.11722	0.8
136.07597	3.0
137.06006	1.6
137.09688	1.1
137.10776	1.6
138.09164	0.9
141.06953	0.6
142.07780	1.2
143.08595	2.8
144.05824	0.5
145.06496	1.0
145.09155	0.5
145.10085	2.9
146.09654	0.6
147.04391	0.6
147.08122	1.4
147.11697	0.7
148.07593	3.7
148.11212	0.9
149.09651	1.4
149.10742	0.8
150.09164	1.4
151.07533	0.7
151.08641	0.6
153.07118	0.9
155.08594	2.3
156.09299	2.6
157.10138	4.8
159.08107	2.3
159.11708	2.3
160.07631	1.1
161.05974	0.7
161.09604	2.6
161.13332	0.8
162.09192	4.0
163.11226	1.1
165.07121	0.7
165.09061	0.7
165.10258	3.1
165.45361	0.5
166.08774	0.6
166.12350	1.9
167.07100	1.8
167.08533	0.8
168.09282	0.6
169.10123	2.4
170.10968	1.6
171.08139	1.6
171.11710	6.0
172.08910	0.9
173.09636	2.9
173.13251	1.4
174.09225	1.0
175.07578	0.6
175.11249	1.5
176.10776	1.8
181.10187	1.1
182.11018	0.7
183.08124	0.8
183.11705	2.9
184.07359	3.3
184.08818	0.9
185.09608	1.0
185.13254	5.4
187.07599	0.7
187.11295	1.5
187.14925	0.8
188.07080	1.0
189.12753	1.0
191.10818	0.6
193.10051	0.7
195.11772	2.0
197.09709	1.6
197.13385	1.2
198.10403	1.5
199.11201	4.6
200.12123	0.7
202.12312	0.6
203.10692	0.6
205.10269	0.6
207.11783	1.6
209.09731	0.7
209.13309	0.8
210.10608	0.6
211.11096	2.1
213.12729	8.1
215.10803	0.7
216.13974	1.0
217.08604	0.7
217.12289	0.8
219.11766	1.1
221.13350	1.4
225.12921	0.6
226.12300	1.4
228.13832	6.0
231.11862	1.1
231.13969	2.3
233.13298	0.8
234.14015	0.6
237.12917	0.8
240.13942	0.8
241.09804	0.6
241.12267	0.8
242.15582	1.4
244.12358	0.7
245.13519	1.0
245.16612	1.6
246.13986	0.8
247.14886	1.5
249.12863	0.8
249.16487	0.9
254.11844	1.6
254.15262	0.6
256.12985	0.8
257.13416	0.7
258.14178	0.6
259.15167	0.9
259.18338	0.9
260.15765	1.0
261.12842	1.1
261.16428	1.7
263.14395	1.0
263.18030	0.8
265.12357	1.0
266.15515	0.9
267.15967	0.8
270.13800	0.8
271.14670	1.5
273.16531	0.8
275.17917	0.8
276.15311	0.6
277.15991	1.0
287.14365	1.4
288.14832	0.5
289.15915	0.9
290.15945	0.6
291.17276	3.0
292.18005	0.5
301.12039	0.7
301.16028	1.9
302.16650	0.6
308.16531	0.6
317.15417	0.8
319.16992	1.7
355.20142	0.9
356.20166	0.8
373.13950	0.8
373.21277	1.2
384.19504	0.7
438.24429	0.9
440.25693	0.9
450.24112	1.0
468.25485	1.9
476.27332	0.8
485.28040	1.4
486.26331	1.1
498.24442	0.7
503.29297	2.4
510.80591	0.5
513.27380	1.0
521.29968	0.8
531.28882	2.0
549.30225	1.0
563.31238	3.0
564.29810	2.6
581.32361	7.0
591.30554	1.0
599.33405	6.0
609.31750	5.4
613.32544	0.8
627.32764	8.8
628.33112	0.6
631.33710	0.9
661.26282	1.1
663.36237	2.7
667.36047	0.9
681.37396	1.0
691.35840	4.5
709.36963	25.1
710.37451	1.0
727.38098	67.1
728.38654	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	726.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
53.04135	0.6
54.38922	0.7
55.01857	1.8
55.05515	15.1
57.03440	11.1
57.07056	2.4
61.02896	2.3
65.03915	2.5
67.05507	69.9
69.03406	1.4
69.07070	20.6
70.79585	1.6
71.04988	4.5
71.08621	0.7
73.02879	1.4
79.05496	39.6
81.03405	1.2
81.07060	77.7
81.85368	0.7
82.43927	0.6
83.04983	5.7
83.08157	0.9
83.08622	13.3
85.02883	1.8
85.06539	3.9
91.05485	22.2
93.07049	61.0
95.04995	4.1
95.08610	38.2
97.02848	2.1
97.06020	0.8
97.06541	9.1
97.10151	2.1
99.08067	2.3
101.05934	0.6
103.05447	0.9
105.07031	11.8
107.08600	32.3
109.06487	2.6
109.10161	13.5
111.08100	5.8
111.11703	1.2
117.07027	8.1
119.08588	7.7
121.06499	1.2
121.10148	26.8
123.08047	1.1
123.11704	4.7
125.09639	1.0
129.06961	1.2
131.08572	11.9
133.10146	9.8
135.08038	1.4
135.11685	12.2
139.07507	0.8
139.11171	1.4
139.26907	0.7
143.08569	1.0
145.10132	4.4
147.11685	4.8
149.13260	28.5
151.11182	0.7
157.10092	1.4
159.11697	14.3
161.13237	3.1
163.14862	2.1
167.14365	1.3
173.13249	3.3
175.14815	1.4
177.12732	5.0
187.14922	0.9
195.13817	9.3
226.49738	0.8
243.21088	2.6
261.22168	7.1
267.15897	2.6
269.17487	90.2
270.17859	1.7
317.24786	2.5
335.25815	58.6
336.26273	0.8
401.09525	0.7
437.34183	1.6
455.35425	1.0
493.63861	0.9
529.38916	100.0
530.39124	4.9
547.40076	2.9
607.27893	0.8
691.47595	0.8
726.45551	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01870	1.1
55.05515	9.6
57.03443	4.7
57.07045	0.8
59.05004	1.6
61.02932	1.0
64.69503	0.7
65.03955	0.8
67.05505	26.5
69.03419	1.6
69.07100	3.4
71.04995	11.7
71.56051	1.2
79.05496	11.3
81.03421	19.5
81.07060	11.1
83.04975	8.8
83.08624	6.5
85.02910	1.9
85.06543	1.1
87.04473	1.1
91.05492	13.9
93.07040	9.0
95.04970	11.9
95.08607	7.8
97.02882	1.5
97.06525	1.8
97.10161	2.8
99.04428	1.0
99.08154	0.8
103.05489	4.5
105.03401	5.9
105.07034	9.1
106.03708	0.9
107.04964	6.7
107.08598	8.0
109.06541	6.8
109.10160	17.5
111.04417	0.7
111.08073	2.2
115.05455	1.6
115.08995	0.6
117.07009	3.9
119.08578	10.5
120.08956	0.7
121.06503	5.2
121.10165	4.4
123.08089	2.9
123.11671	0.7
125.09653	2.5
126.05525	1.2
128.06230	0.8
129.07031	4.6
131.04938	7.2
131.08580	5.9
132.05357	0.8
133.06479	2.5
133.10117	4.9
134.10408	0.7
135.08101	4.2
135.11696	3.0
137.09636	4.0
141.07071	1.0
142.07779	1.1
143.08575	2.8
145.06477	3.9
145.10135	4.5
147.08067	2.4
147.11725	3.5
149.09648	2.4
151.11192	0.7
155.08600	1.7
155.10660	1.2
156.09389	1.3
157.06563	1.2
157.10155	5.8
159.08066	2.4
159.11720	2.9
161.09608	2.2
163.11203	3.2
165.06987	0.8
168.09279	0.9
169.10167	1.7
170.10759	0.8
171.08078	2.3
171.11694	5.9
173.09628	1.6
173.11763	2.4
173.13268	2.4
175.07573	0.9
175.11208	2.8
177.09068	1.1
179.08388	0.8
181.10199	1.0
183.10280	0.7
183.11671	4.2
185.09669	1.2
185.13196	3.7
187.11163	2.0
189.09138	1.0
189.11195	2.2
189.12767	1.1
191.14217	1.2
193.10500	1.1
193.12218	5.8
195.11691	2.2
197.09625	1.5
197.13257	1.4
199.11131	2.3
201.12737	1.5
203.10699	1.1
203.14343	1.6
207.11868	1.1
211.11328	0.9
211.13127	1.1
213.12677	3.8
215.14207	1.0
217.12265	1.4
219.13737	3.6
221.13315	1.3
223.14912	1.5
225.12846	1.1
227.12685	0.9
229.14459	1.8
231.13959	1.2
243.13770	1.3
243.15918	1.9
245.15448	1.5
249.14798	0.9
253.14326	1.1
255.15855	1.3
267.15891	8.6
268.16333	1.4
273.14722	1.0
275.16412	1.0
279.03876	0.7
287.18478	3.5
299.14377	0.9
301.14658	0.8
301.21838	0.9
302.16376	1.1
311.20084	0.9
329.21057	3.8
337.21762	1.2
355.22729	2.2
403.24753	3.0
421.25800	12.7
425.25540	0.8
429.26352	6.4
447.27454	100.0
461.28757	3.1
479.30176	5.2
555.29419	0.8
605.32990	0.9
626.30713	0.9
635.28467	0.9
667.30811	3.1
673.30353	1.0
691.31244	0.7
708.36902	2.8
726.33923	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	726.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06170	3.8
52.57086	4.3
53.03941	6.9
55.01863	7.0
55.05519	55.7
67.05490	17.0
69.03417	5.7
71.55203	6.1
79.05479	19.8
81.03394	8.0
81.07078	29.2
83.04987	100.0
85.02922	10.0
91.05476	25.4
93.07032	25.1
95.04964	26.6
95.08605	16.5
99.04438	4.8
101.05976	4.7
103.05457	9.3
104.71626	4.5
105.03401	35.1
105.07024	20.0
106.03719	6.1
107.04975	12.4
107.08608	12.6
107.77433	4.5
109.06508	12.4
109.10173	5.5
111.04465	5.4
117.07027	13.5
119.04910	9.8
119.08583	39.2
121.06476	12.9
121.10121	7.4
123.04457	6.6
123.08082	10.6
128.06152	5.2
129.06998	11.4
131.04941	23.7
131.08528	10.7
133.06505	21.4
133.10112	17.4
135.08000	10.0
137.05984	5.7
141.07007	5.0
142.07799	8.7
143.08560	16.8
145.06488	10.3
145.10095	15.3
147.04561	4.5
147.08031	13.6
149.05997	7.8
149.09621	14.2
155.08560	10.1
156.09334	11.1
157.10139	33.7
159.08080	22.6
159.11703	23.0
159.64043	4.6
161.05992	13.3
161.09573	6.7
163.07561	6.9
168.09334	7.8
169.10106	25.8
170.10844	8.6
171.08069	8.2
171.11668	41.6
172.11986	5.0
173.09633	23.0
173.13261	8.5
175.07491	7.0
177.05400	5.7
177.09041	9.0
179.07056	8.0
179.08482	8.8
181.10075	13.2
183.08102	6.0
183.11697	68.5
184.12219	10.5
185.09613	14.2
185.13223	27.1
186.13589	7.3
187.11194	19.2
189.05582	4.4
191.10733	5.5
193.10110	19.9
193.12122	4.5
194.10866	8.6
195.11664	17.1
197.09608	12.6
197.13278	11.6
199.11186	25.9
201.09077	7.1
201.12816	10.7
206.10966	8.3
207.11702	26.9
208.12421	5.7
209.09572	12.5
209.13245	12.4
210.10321	4.9
211.11195	20.0
212.11740	4.9
213.12793	15.0
214.13161	7.5
215.10663	6.3
217.10130	15.4
217.12141	7.0
218.10938	6.7
219.11697	17.3
220.12471	8.6
221.09619	4.6
221.13275	17.2
222.10522	6.1
223.11218	8.8
223.14847	14.6
225.12738	4.8
226.09561	4.4
229.10278	5.9
229.12363	11.3
230.10878	9.2
231.11867	23.7
231.13725	5.4
231.20287	4.5
232.12419	16.7
233.13281	26.1
234.14069	13.2
235.11153	8.4
235.14818	10.7
236.11971	6.6
237.12711	7.8
237.16403	15.3
239.10864	6.1
241.12225	9.9
243.11618	13.3
243.13838	8.5
244.12436	18.5
245.13274	18.9
245.15428	10.4
246.10370	7.8
246.13948	17.7
247.11191	9.2
247.14941	30.7
248.11868	9.6
248.15535	10.8
249.08995	6.6
249.12669	12.4
249.16422	18.4
251.14267	8.2
257.13156	15.1
258.14053	19.8
259.11057	8.5
259.14807	19.3
260.11951	10.0
260.15652	9.1
261.12714	14.6
261.16592	24.5
262.13458	16.7
263.14331	16.7
263.17917	30.0
265.12296	7.5
265.15775	11.2
267.13947	6.2
268.12579	5.4
270.10275	5.6
271.11176	5.9
271.14801	9.8
272.12030	10.4
272.15082	5.9
273.12668	12.2
273.16235	16.5
274.13303	8.5
274.16992	5.5
275.11331	5.9
275.14261	30.8
275.17365	7.9
276.15042	13.3
277.12695	5.6
277.15927	19.4
283.14676	7.0
285.12598	17.1
285.15887	7.0
286.13455	13.8
287.14246	17.8
287.17731	8.4
288.14844	5.0
289.12201	6.2
289.15775	29.7
290.16333	11.1
291.14111	8.0
291.17422	49.4
293.15240	8.3
299.11078	6.8
299.14301	17.1
300.11609	4.9
300.15155	17.0
301.12546	7.5
301.15845	34.6
303.13834	9.5
303.17252	9.7
305.15253	8.1
305.18842	7.5
307.16901	19.4
309.18481	16.0
311.14246	5.8
313.12247	6.2
313.15738	6.6
314.12842	12.1
314.16193	5.6
315.13910	7.8
315.17441	31.8
317.15280	16.0
319.16989	40.6
320.17282	7.2
321.18573	14.4
323.20013	9.2
325.15796	10.5
327.13730	12.6
328.14410	5.3
329.15100	22.2
330.16122	7.8
331.16748	5.9
333.18542	21.2
335.16400	7.7
337.18140	8.8
339.19669	8.3
341.15155	5.5
342.15778	5.3
343.16861	51.6
345.14804	18.6
347.16422	21.4
349.18018	10.7
351.19669	25.0
353.15543	7.0
359.16348	13.7
361.18008	46.0
365.17441	11.7
367.19168	34.2
369.20477	13.7
371.16376	47.1
375.15689	13.3
375.19733	13.0
377.17435	8.0
379.19061	24.7
381.16827	5.3
385.17868	8.7
387.16080	7.6
389.17456	60.6
392.19424	6.2
393.16589	10.3
395.18530	7.9
397.19998	7.9
399.16141	9.8
403.19006	19.9
407.18509	44.6
413.17712	7.8
417.16925	29.8
421.20032	35.5
425.19669	26.1
431.18292	17.4
435.17813	30.8
439.21017	27.3
449.19705	37.2
452.21136	6.6
453.18839	12.9
457.22116	10.9
467.20612	48.5
476.41803	5.6
481.22156	9.4
485.21667	49.9
499.23221	15.0
503.23126	5.3
517.23920	10.1
535.23004	9.1
545.27698	4.7
549.24109	6.3
553.24176	16.5
567.25623	12.9
585.26221	7.9
645.28925	7.1
677.31342	12.4
678.35364	6.1
726.37573	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.4
53.03932	4.1
53.21465	2.4
55.05518	30.6
57.03418	3.0
57.69629	2.5
58.56721	2.4
66.75225	2.3
67.05492	7.1
72.21445	2.3
73.02909	3.2
78.45571	3.1
79.05475	8.9
81.03435	4.0
81.07052	10.8
83.04987	49.2
85.02900	3.2
87.04456	2.8
91.05480	10.8
93.07020	5.7
95.04963	7.3
95.08617	5.8
97.00279	2.3
97.06570	2.9
98.21519	5.6
101.02406	5.9
103.05450	10.6
105.03387	5.6
105.07052	12.3
107.08585	6.4
109.06486	8.1
109.10115	3.4
111.04446	4.3
117.07030	5.0
119.08602	13.5
121.06502	4.5
121.10152	3.5
123.08080	8.5
126.05547	13.1
127.03867	4.6
127.60166	2.7
128.06218	3.0
128.62164	3.0
129.87794	3.0
131.04945	21.1
131.08578	6.9
133.10130	8.2
135.08087	3.9
137.02351	4.2
142.07762	6.2
143.08516	11.2
145.06471	5.3
145.10118	7.1
147.08047	7.2
147.11644	3.1
149.05963	4.2
149.09607	4.5
153.07060	3.6
155.08524	4.2
156.09335	7.7
157.10146	21.0
159.08055	8.7
159.11708	6.1
161.05957	4.3
161.09608	4.4
163.07533	5.1
167.08542	4.2
169.10127	15.6
170.10909	7.5
171.08138	3.7
171.11708	15.1
172.08836	4.2
173.09639	7.2
173.13278	3.3
175.07463	4.6
177.05498	3.1
177.09087	3.8
179.08470	3.9
181.10085	9.8
183.11702	35.1
184.12320	3.2
185.09636	9.4
185.13248	9.3
187.11156	4.4
191.10683	3.4
192.09352	5.0
193.10182	13.0
193.11798	2.7
194.10930	3.6
195.11638	12.8
196.12207	3.1
197.09618	8.8
198.10435	3.9
199.11163	7.3
201.12732	6.3
205.10231	4.0
206.10847	4.2
207.11649	17.5
208.12492	16.2
209.09662	4.9
209.13251	17.7
210.10332	3.7
211.11160	11.8
211.12959	3.2
213.12737	8.9
217.10220	5.1
217.12143	3.3
218.10712	4.5
219.11699	4.8
220.12492	3.8
221.09683	5.8
221.13274	22.5
222.13992	6.8
223.11201	7.1
223.14824	21.1
224.15492	5.3
225.12755	5.1
225.16405	6.3
227.10736	3.0
229.10165	3.9
229.12209	8.9
231.11743	13.2
232.12419	8.6
233.13289	6.6
234.10374	4.6
234.14015	4.7
235.11145	14.2
235.14764	16.5
236.11864	3.8
236.15451	3.7
237.09090	3.2
237.12724	10.5
237.16412	49.3
238.16820	3.4
239.14346	7.3
243.11684	3.6
244.12509	8.0
245.13298	8.0
246.14099	8.6
247.11131	9.3
247.14835	15.9
248.15573	3.2
249.12894	14.2
249.16290	6.9
251.14357	32.7
253.12245	3.8
256.12488	3.3
257.13324	4.2
258.14059	4.2
259.11172	3.4
259.14740	8.7
260.11929	4.1
261.12701	10.2
261.16354	9.3
262.13547	3.0
263.14252	9.5
263.18002	6.1
265.12531	3.0
265.15881	21.1
267.13766	5.7
269.13425	3.1
271.11044	3.0
271.14975	3.1
273.16571	3.6
274.13550	3.7
275.14258	9.8
275.17807	3.2
276.14719	4.4
277.15814	10.6
279.13712	8.0
279.17380	19.4
281.15604	3.6
283.16919	3.8
285.12637	3.8
286.13553	4.0
287.14285	5.1
287.17822	3.2
288.15466	2.7
289.15829	10.1
291.13715	8.4
291.17389	9.5
293.15253	3.7
295.16882	3.3
301.15872	7.1
303.13773	3.4
305.15259	5.6
306.15936	3.0
307.16989	21.9
315.17603	4.5
317.15247	7.4
319.16891	11.3
325.17947	7.8
329.15250	3.5
333.18311	4.1
335.16406	11.4
337.17847	4.1
339.19373	2.9
343.16885	7.8
345.14841	3.3
347.16425	10.5
351.15817	3.7
353.17133	4.3
361.18036	22.5
365.17297	8.7
367.15164	5.1
367.19284	6.0
371.16135	4.5
379.19235	12.7
389.17532	30.9
397.20032	11.7
399.17816	10.5
407.18512	35.4
408.19040	3.6
411.21582	3.7
417.16995	14.4
421.20123	5.6
425.19760	22.0
435.17902	14.2
439.20972	10.0
441.18799	4.0
446.22836	4.2
449.19736	5.9
453.18347	4.4
457.22345	15.6
467.20554	14.3
485.21707	10.0
499.23175	4.4
503.22806	4.2
517.24213	7.8
524.25677	2.8
545.27277	8.1
553.24005	4.6
645.28918	17.1
677.31696	100.0
700.75690	3.0
708.37140	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	726.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43491	1.3
53.03944	3.9
55.01860	3.3
55.05499	5.6
57.84931	1.3
65.20132	1.0
67.05488	5.4
67.11788	1.0
69.03412	3.0
69.07065	1.8
70.06570	3.8
71.04997	1.4
71.55682	1.9
79.05473	7.9
81.03405	3.8
81.07069	5.6
83.04980	6.3
85.02904	2.1
91.05489	8.1
93.07033	4.3
94.49402	1.1
95.04984	8.6
95.08597	3.1
97.06512	2.0
98.06008	1.7
103.05467	43.4
105.03394	4.1
105.06490	1.2
105.07050	11.2
107.08570	5.1
109.06499	3.6
111.04395	1.6
115.05453	4.2
117.07030	11.7
119.04971	1.2
119.08583	13.5
121.06474	1.9
121.10132	2.0
123.08043	2.4
126.05509	4.4
128.06183	2.1
128.09766	1.0
129.06982	4.1
131.04932	100.0
131.08534	6.1
132.05302	2.2
133.06470	4.6
133.10176	6.9
135.08051	4.4
137.06015	1.3
140.07059	1.3
141.07002	1.9
142.07741	3.2
143.04829	1.4
143.08540	7.8
145.06485	6.2
145.10149	5.6
147.08075	4.4
147.11737	1.6
149.09624	4.8
155.08528	3.5
156.09370	2.8
157.10144	11.8
159.08092	7.2
159.11708	11.4
161.05991	6.9
161.09628	5.0
163.07535	3.7
163.11153	1.8
167.08528	2.2
168.06583	2.1
168.09341	1.3
169.10089	7.0
170.10851	3.7
171.08133	3.0
171.11656	10.0
172.08748	1.4
173.06003	1.7
173.09583	7.6
173.13245	2.5
175.07578	4.2
175.11206	1.8
176.08517	1.2
177.09085	12.6
179.08530	2.5
181.10176	3.8
183.11707	27.2
185.09618	5.3
185.13290	6.2
186.10330	1.7
187.11177	4.7
189.09079	5.1
191.06978	2.3
191.10733	2.5
193.08562	4.4
193.10181	3.5
193.12352	1.7
194.10875	2.8
195.08075	1.2
195.11642	3.4
197.09612	2.9
197.13287	3.0
199.07571	1.5
199.11107	3.5
201.09073	2.8
201.12727	7.1
203.10669	2.2
204.09236	1.5
206.10771	2.7
207.11609	4.6
208.12444	1.5
209.13246	1.6
211.11160	6.4
213.09068	2.3
213.12732	4.6
214.06487	1.4
215.10638	3.1
217.12173	1.5
219.11829	2.0
220.12402	2.2
221.09727	1.7
221.13303	3.0
223.11137	2.7
223.14812	4.1
225.08939	1.2
225.12831	1.4
227.10583	1.8
229.12262	5.0
231.09883	2.0
231.11893	1.9
232.12413	1.7
233.13316	2.6
233.15396	2.5
235.11163	3.0
235.14827	2.2
237.12625	1.8
237.16318	4.1
241.12230	1.6
243.11754	2.5
243.13873	3.3
244.12381	2.0
245.13373	3.0
246.13808	1.9
247.11134	1.9
247.14757	3.7
249.12772	1.8
250.13649	1.3
251.14267	3.3
256.12485	1.5
259.14832	2.5
260.08292	1.4
260.15643	1.9
261.12534	1.8
261.14807	2.7
263.14221	2.3
265.12421	1.4
265.15823	3.8
267.13696	1.9
269.13312	2.2
269.17484	3.1
271.13483	1.4
273.16208	1.8
275.14175	1.8
279.13840	2.6
279.17206	1.3
285.16309	2.2
287.14261	3.0
289.15619	2.1
291.13571	1.9
299.14282	2.2
301.15704	1.5
303.17575	2.3
307.16699	2.1
311.16739	1.4
313.15726	2.0
317.15396	2.3
317.18896	1.6
319.16733	2.1
327.17334	1.8
329.15140	1.7
331.16852	5.9
345.18338	7.1
349.17871	3.4
358.15689	1.6
359.16098	1.6
363.19516	2.9
373.17953	6.6
377.21338	1.9
379.19199	1.5
387.19244	1.4
391.19009	5.7
401.17252	3.3
405.20560	10.4
407.18292	2.0
415.18735	1.9
419.18353	2.3
423.21970	5.6
433.20102	4.9
437.23569	1.9
441.22598	3.3
447.21396	2.1
451.21219	7.9
461.28922	4.6
465.22467	4.6
469.22290	2.5
483.23596	4.0
506.24677	1.5
511.32559	2.8
529.24823	1.8
543.25635	1.4
581.28284	1.2
593.27075	2.1
631.28595	3.8
659.28540	8.4
673.29602	2.0
691.31152	15.4
708.37555	1.4
726.32434	4.8
727.26025	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
55.05497	2.0
67.05491	2.0
69.03415	1.0
69.07069	1.6
71.55006	1.2
77.03902	0.9
79.05478	2.7
81.03442	1.0
81.07050	1.4
83.04984	2.0
85.02894	1.2
88.90367	0.9
91.05497	6.9
93.07043	2.8
95.04958	3.7
95.08614	1.7
102.04694	1.1
103.05476	43.2
104.05780	1.7
105.03397	1.3
105.07030	6.0
107.04964	0.9
107.08597	3.3
109.02900	1.0
109.06520	3.8
115.05399	1.7
117.06998	4.2
118.07771	0.9
119.04920	1.1
119.08584	6.6
121.06522	2.5
128.06198	1.5
129.06998	3.0
130.07716	1.0
131.04935	100.0
131.08591	5.1
132.05223	4.3
133.06520	2.8
133.10162	5.4
135.08029	1.0
137.05968	2.6
140.54924	0.7
141.06967	1.0
142.07770	1.9
143.08568	3.9
145.06483	3.3
145.10103	4.8
147.04414	0.9
147.08029	3.1
147.09111	0.8
147.11684	1.0
149.09627	2.3
153.07033	1.3
155.08543	3.9
156.09303	3.5
157.10149	11.7
159.08072	5.2
159.11703	3.4
161.05995	3.1
161.09621	3.6
162.06796	1.2
163.07542	3.5
163.11226	1.5
165.06967	1.0
167.08549	1.5
168.09296	0.9
169.10120	5.7
170.10849	4.8
171.08078	4.9
171.11685	13.7
172.08827	1.4
173.09627	6.0
173.13298	1.5
175.07541	2.1
175.11174	1.8
176.08290	1.2
177.09106	2.3
179.08641	1.1
181.10155	2.4
183.08049	1.9
183.11702	14.0
184.12343	1.0
185.09627	5.3
185.13284	10.3
186.10394	1.7
187.07608	1.9
187.11259	3.5
188.08382	1.3
189.09196	1.4
191.10675	1.1
193.10127	2.4
195.11778	3.9
196.12463	1.4
197.09612	3.9
197.13263	3.1
198.10349	2.5
199.07530	1.8
199.11195	6.0
200.11925	2.1
201.09152	2.5
201.12752	3.3
203.10605	2.0
206.10992	1.2
207.11609	2.5
209.09431	0.9
209.13243	2.0
211.11182	4.2
213.09218	1.8
213.12770	20.3
214.09828	2.2
215.10687	2.3
216.07831	1.0
217.10248	1.4
217.12198	1.0
219.11859	1.5
220.12328	1.0
221.09694	1.3
221.13316	2.7
222.14099	1.1
223.11176	1.7
223.14774	1.7
224.11777	1.1
225.12775	2.2
229.12263	1.7
231.09959	1.9
231.11911	1.7
231.13904	2.2
232.14490	1.0
233.09543	1.0
233.13316	1.6
237.12750	1.6
237.16357	1.0
239.14423	1.4
241.12248	2.2
243.13831	2.4
244.14629	1.4
245.13257	1.4
245.15465	4.0
248.11874	0.9
249.12770	2.0
251.14247	1.2
253.12241	1.4
255.13982	1.0
256.12332	1.0
257.13321	1.3
259.11035	1.4
260.11810	1.1
261.12643	1.6
263.14053	1.3
265.15942	1.1
270.14059	1.7
271.15134	1.0
273.14822	11.0
274.12103	2.8
275.12747	1.8
277.15735	1.3
285.16422	1.8
287.14276	2.0
289.15884	1.8
291.16113	2.2
299.14343	1.1
299.17828	1.1
301.15781	2.3
305.15689	1.0
315.17477	1.8
317.15393	1.7
319.16721	1.4
329.15430	1.8
330.16138	1.1
331.16879	3.2
332.17493	1.1
333.17801	1.0
341.15244	1.5
342.15973	1.7
343.16943	3.7
344.13898	1.2
345.18301	1.3
349.17886	1.5
357.18533	1.8
359.16235	1.7
360.17120	1.3
361.17932	3.0
367.17618	1.0
372.17072	2.0
373.17950	3.4
374.18777	1.2
375.19604	1.7
389.17392	1.1
402.18243	3.2
404.19659	3.0
405.20642	1.4
406.21469	1.1
408.19238	1.1
416.19644	3.1
417.20740	1.8
419.18497	2.0
420.19354	2.4
421.20166	2.1
434.21017	9.2
435.21548	3.6
449.23517	1.1
451.21304	1.5
452.21997	4.2
467.24319	1.6
480.21188	1.2
494.23083	1.3
495.23608	2.5
512.24469	1.5
527.26306	2.5
628.26520	5.7
638.01379	1.1
642.27893	1.6
643.28906	4.0
675.31653	7.7
726.30890	1.2
749.49994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.7
55.01871	6.5
55.05514	13.0
57.03429	7.1
67.05507	26.8
68.05025	3.5
69.03428	23.7
69.07052	9.5
70.06596	27.3
71.04981	8.8
79.05496	20.4
81.03423	27.5
81.07054	37.7
82.02929	17.0
83.01345	5.4
83.04958	14.1
83.08622	10.2
84.04488	3.2
85.02918	3.9
85.06552	3.5
86.05652	2.3
86.06073	24.2
86.09718	2.9
87.04465	17.0
90.59235	2.4
91.05487	33.2
93.07041	24.9
94.06572	2.8
95.04977	17.5
95.08604	12.5
96.08114	4.5
97.02876	3.7
97.06500	3.4
97.10162	3.4
98.06061	100.0
98.21507	6.5
103.05463	2.3
105.03399	5.4
105.07043	27.1
107.04943	10.1
107.08597	12.3
108.85802	2.1
109.06494	10.1
109.10152	8.5
111.08082	3.4
115.05456	7.1
116.06239	2.4
117.07016	52.9
119.08583	34.6
120.08972	2.3
121.06503	8.9
121.10136	7.5
122.06044	20.5
123.08015	3.1
124.07610	11.3
125.09610	2.7
128.06187	8.3
129.06981	18.5
131.04918	4.5
131.08566	28.0
133.06487	4.6
133.10141	26.9
135.08044	5.0
135.11655	2.8
136.07550	2.5
137.09598	2.4
140.07068	23.3
141.07025	5.7
142.07755	7.7
143.04930	4.6
143.08562	22.1
145.06523	22.9
145.10123	18.7
147.08026	13.5
147.11685	8.2
148.07559	2.1
149.09592	9.4
150.05501	24.4
151.11192	3.0
152.07063	3.2
153.07024	4.4
155.08563	15.1
156.09346	18.7
157.06483	5.4
157.10136	32.6
158.07314	2.6
159.08018	12.0
159.11685	5.9
161.09624	11.5
163.11180	5.5
165.07039	4.8
166.07794	2.5
167.08560	9.8
168.06549	43.8
168.09383	3.3
169.10135	13.1
170.10939	16.4
171.08043	10.1
171.11690	52.9
172.08878	3.1
173.05965	3.4
173.09589	15.1
173.13295	3.8
175.11206	8.3
179.08533	5.2
180.09282	3.7
181.10114	9.0
182.10989	2.3
183.08101	11.4
183.11699	33.0
184.07324	6.8
184.08839	6.1
185.09612	9.4
185.13264	48.6
186.10359	2.5
187.11189	6.7
187.14890	3.2
193.10188	6.2
193.12276	9.2
195.08066	6.9
195.11674	11.8
197.09656	11.0
197.13237	7.7
198.10385	8.7
199.11208	25.8
200.10603	10.4
201.12718	3.1
202.12210	17.1
203.08534	2.4
205.35196	2.1
206.10910	2.6
207.11710	7.5
209.09612	8.2
209.13313	4.6
211.11201	17.5
213.12755	71.1
214.12271	6.7
215.14195	3.9
217.10153	3.2
219.11703	3.9
219.13614	4.3
220.12563	3.0
221.13260	7.7
223.11133	8.8
225.09190	2.6
225.12753	3.1
228.10147	8.0
229.10217	5.3
229.12308	5.3
230.11815	25.5
231.11900	4.4
231.13803	4.9
232.12439	4.0
233.09685	3.7
233.13148	6.1
235.11218	6.2
237.09148	4.1
237.12712	3.9
237.16266	2.4
239.14304	2.8
241.12285	7.9
243.11760	7.2
243.13876	4.0
244.12723	7.8
245.13255	7.9
245.15408	16.7
246.10837	5.0
246.13966	3.7
247.11174	5.5
247.14818	7.3
248.12868	35.4
248.15305	4.3
249.12769	5.3
249.16426	2.5
254.10719	2.3
255.11577	4.7
255.13902	3.6
256.12500	3.0
257.13293	5.5
258.11191	13.6
258.14081	6.1
259.11115	3.9
259.15012	15.6
260.12421	4.6
260.15451	3.7
261.12735	8.7
261.16260	3.5
262.13675	6.1
263.14212	5.2
265.12296	5.2
267.15817	15.7
268.13257	2.9
268.16312	5.8
269.13177	7.1
269.16321	4.4
270.14096	6.7
271.11151	4.5
271.14807	6.3
272.12082	2.9
272.15601	4.0
273.14682	23.2
274.10736	9.6
275.14243	6.3
276.12241	8.0
277.15891	3.7
280.13242	3.6
281.13242	5.2
282.14191	5.0
283.14694	6.4
284.12122	2.6
284.15494	3.5
285.12820	4.4
285.16519	8.9
286.13779	6.9
286.17148	2.8
287.11130	3.2
287.14334	12.0
287.17767	5.1
291.17517	5.1
296.15671	3.4
297.12592	4.4
297.16385	4.4
298.14029	3.4
299.14307	7.9
299.17789	5.2
301.15714	12.9
301.19318	4.3
302.16614	7.7
309.13034	3.4
310.13968	2.9
311.14337	4.8
311.17822	8.0
315.13446	2.6
315.17145	3.0
319.16882	4.0
320.17377	3.1
325.15710	2.8
327.17358	7.9
329.18948	7.1
333.18060	4.5
339.17371	18.5
340.15128	6.3
341.18777	2.9
343.16879	2.8
351.19843	2.8
354.17398	3.5
357.18387	9.9
359.16187	3.1
359.20248	5.0
367.16992	7.3
371.20065	5.5
385.17834	6.7
393.19077	2.7
410.20792	3.3
421.25623	4.5
424.22748	8.4
428.22495	10.6
430.20184	2.8
435.27658	11.0
440.22159	3.7
442.23779	15.7
443.27902	4.8
444.21469	3.8
446.23163	3.6
447.27502	17.7
452.22122	9.5
458.23001	9.4
460.24652	6.3
461.28940	72.6
462.23004	2.6
470.23325	39.4
477.28265	4.8
478.28809	4.0
479.29605	11.0
488.24335	40.8
490.25970	4.4
493.31369	6.5
502.25940	26.0
506.25162	5.6
520.26788	28.4
530.25220	9.7
538.27002	6.0
548.26465	42.0
556.27081	5.4
562.27533	7.6
566.27435	11.8
580.28821	11.9
588.29480	4.0
590.27258	4.3
598.29938	13.3
608.28510	34.2
616.28802	6.0
622.30444	4.6
634.30023	3.8
640.30829	6.2
652.30493	3.2
666.32819	5.0
676.30957	30.5
684.33344	3.0
694.32233	54.0
708.33496	29.8
726.34753	19.9
727.34576	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	726.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43779	1.4
53.03947	3.3
54.99463	1.6
55.01866	4.1
55.05263	2.8
55.05515	39.2
57.03416	2.1
67.05514	7.6
68.05018	2.1
69.03430	12.6
69.07051	1.8
70.06590	23.8
79.05486	9.2
80.04992	1.7
81.03407	6.3
81.07050	13.5
82.02941	16.6
83.01339	3.3
83.04985	49.0
83.08610	2.1
84.04512	2.1
86.06068	22.0
87.04470	15.0
91.05483	16.7
93.07053	10.7
95.04974	5.1
95.08606	5.7
96.08130	2.7
97.06516	3.1
98.06059	100.0
103.05443	3.0
105.07030	14.8
107.04938	4.3
107.08595	8.9
109.06507	5.1
109.10181	3.4
110.48626	1.5
115.05468	7.3
117.07019	33.5
119.08588	24.1
121.06515	3.5
121.10139	5.3
122.06038	11.9
124.07600	10.4
128.06230	4.7
129.07001	12.2
130.62822	1.6
131.08548	18.3
132.08076	1.9
133.06511	3.3
133.10126	17.1
135.08023	2.7
136.03569	1.5
138.05408	1.7
140.07042	2.5
141.07039	4.0
142.07767	6.8
143.04924	8.8
143.08565	15.5
145.06479	16.9
145.10104	10.7
147.08076	10.1
147.11713	3.7
148.07602	1.9
149.09579	3.9
150.05505	19.9
153.07118	2.7
154.07767	1.9
155.08551	5.9
156.09366	12.1
157.06493	4.7
157.10115	17.5
158.07309	3.2
159.08055	8.7
159.11699	8.5
161.09647	11.3
163.11263	1.9
165.07060	3.0
166.07788	2.9
167.08569	9.1
168.06564	23.8
168.09317	2.7
169.06494	1.9
169.10112	10.1
170.10953	7.7
171.08049	6.6
171.11693	28.4
172.08817	2.5
173.06023	1.9
173.09642	10.2
173.13283	4.3
175.11188	4.9
179.08492	3.3
179.10710	2.1
180.09319	2.6
181.10115	8.5
182.07082	1.8
183.08084	7.1
183.11685	16.8
184.08852	5.1
185.06117	1.8
185.09639	6.4
185.13242	19.0
187.11153	3.9
187.14769	3.3
193.10135	3.8
193.12273	2.6
195.08044	3.6
195.11740	8.7
197.09589	8.9
197.13257	6.7
198.10344	7.6
199.11186	21.2
200.10558	9.9
202.12262	16.3
203.14357	1.8
205.10060	3.9
206.11006	2.1
207.11754	5.8
208.08978	2.2
209.09647	7.0
209.13220	3.1
211.11212	9.2
213.12752	37.4
214.12366	2.9
215.10689	2.6
215.14342	3.2
217.10251	3.5
217.12206	2.7
218.10857	2.0
219.08035	1.9
219.11711	5.0
219.13779	2.9
220.09000	1.9
220.12392	1.9
221.09512	1.9
221.13264	5.0
222.10603	2.7
223.07539	2.4
223.11174	4.0
225.09201	3.2
227.10638	1.9
228.10211	11.4
229.10179	3.5
229.12263	2.2
230.11812	21.8
231.11688	6.5
231.13846	8.4
232.08434	1.8
232.12527	3.1
233.09724	2.1
233.13240	6.7
235.11157	3.9
235.14838	3.4
237.09062	4.0
237.12631	2.6
241.12151	3.9
242.11676	3.6
243.11699	3.8
243.15880	2.6
244.12686	8.1
245.13324	10.9
246.10947	4.7
246.13782	2.6
247.11221	6.3
247.14780	6.9
248.12906	25.5
248.15462	1.8
249.12764	5.4
249.16331	2.9
253.10013	2.1
255.11719	2.5
256.09653	6.1
257.09521	2.0
257.13281	4.8
258.11063	5.6
258.14136	4.5
259.11035	4.7
259.13159	4.2
259.14944	7.0
260.12457	3.4
260.15576	4.4
261.12668	7.3
261.16489	3.8
262.13794	4.9
263.10843	1.5
263.14316	5.0
265.12253	4.4
267.11530	2.7
268.12796	2.9
269.13342	5.1
269.17471	1.8
270.14047	2.3
271.11441	1.9
271.14764	5.8
272.12131	3.8
272.15500	1.7
273.12628	3.9
273.16321	4.8
274.10693	11.5
274.13361	2.6
275.14285	7.5
275.17813	6.0
277.12103	1.9
277.16037	2.9
280.13190	4.1
281.13205	3.3
282.14310	2.5
283.11273	2.0
283.14835	6.2
284.15546	2.6
285.12830	4.4
285.16284	5.6
286.13727	4.6
287.14346	13.1
287.17709	3.5
288.12051	2.0
289.15854	3.4
290.16718	1.8
291.17563	2.9
296.12479	2.6
296.15707	4.6
297.12769	2.5
297.16318	6.2
298.14301	3.2
299.14276	5.1
299.17853	5.0
300.15335	2.5
301.12531	2.7
301.15860	10.7
301.19284	2.9
302.16586	6.5
303.17511	1.8
308.12665	2.1
309.12723	2.5
310.13852	2.5
311.14517	2.5
311.17947	4.7
312.15140	2.9
313.15884	2.5
313.19370	3.3
315.13876	2.1
315.17471	3.7
319.16855	6.8
324.15182	5.4
325.15649	2.2
327.13876	3.5
327.17422	4.0
328.14783	2.1
329.18915	9.3
331.20575	2.0
339.13828	2.6
339.17438	12.9
341.18918	7.9
343.16922	2.0
345.18097	2.0
349.23404	2.3
355.16849	5.0
357.18576	11.5
359.20047	2.1
367.17059	3.5
375.19318	3.5
385.17807	7.7
403.18839	3.3
412.18414	1.8
424.22614	5.2
428.22040	5.6
430.19827	3.3
440.22330	4.3
442.23740	18.0
444.25211	6.0
446.23227	3.7
452.22205	6.9
458.23404	12.1
460.24756	11.3
461.28949	9.4
470.23248	38.8
476.24332	5.9
478.25668	4.4
479.29822	4.9
488.24384	56.3
489.24545	1.9
506.18622	2.8
506.25467	37.5
507.25546	2.0
520.26886	2.3
523.22894	3.1
524.26337	3.7
530.25275	7.9
548.26477	44.7
549.26831	2.9
566.27521	33.0
580.28790	4.9
584.28540	22.2
598.29681	2.1
608.28540	78.8
609.28522	5.2
626.29559	62.1
627.29779	4.7
630.30994	2.6
648.31512	4.7
666.30994	1.7
690.32532	9.9
708.33875	48.0
709.33569	4.8
726.34180	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	726.3492
Annotation	2'-Deacetylaustrotaxine
Peak:m/z	Relative Intensity
53.03943	2.6
53.62161	1.5
55.01880	3.1
55.05272	1.9
55.05519	35.8
56.05034	11.3
58.63170	1.5
59.03270	1.7
67.05507	12.9
69.07069	2.9
71.04973	2.6
72.08173	1.7
74.09722	1.8
78.28379	1.4
79.05494	8.0
80.05007	4.4
81.03429	8.7
81.07093	9.0
82.06557	2.0
83.01348	2.8
83.04990	44.8
83.08615	3.0
85.02921	2.9
86.09723	2.9
91.05495	16.1
93.07065	9.9
95.04942	8.3
95.08611	8.2
97.06517	1.8
98.06091	3.1
100.06244	1.8
102.05555	2.2
103.05491	2.6
105.03401	3.1
105.07044	15.0
107.04943	3.5
107.08585	6.9
108.03812	2.1
108.04494	27.5
109.06521	5.4
109.10165	6.8
110.06017	2.5
111.08061	2.1
115.05466	6.4
117.07028	11.2
119.04930	2.2
119.08595	18.1
121.06559	3.1
121.10177	5.0
122.05994	2.3
125.00032	2.3
126.05526	16.6
128.06242	3.1
129.07040	10.3
129.73933	1.7
131.04935	4.4
131.08591	11.0
132.08057	3.1
133.06529	3.9
133.10139	17.9
135.08041	5.3
135.11684	2.0
141.07016	4.3
142.07761	6.9
143.03232	1.5
143.08569	15.5
145.06517	9.2
145.08954	2.4
145.10074	10.8
147.08066	11.1
147.11679	5.5
149.09616	4.3
153.07056	2.3
154.04962	6.2
155.08577	5.8
156.09378	10.7
157.06497	1.9
157.10146	20.5
158.07361	2.0
158.09682	5.3
159.08087	5.6
159.11720	7.9
160.07524	1.5
160.11197	10.4
161.09618	8.6
162.09079	3.2
163.07629	2.5
163.11176	5.5
165.06963	3.5
167.08577	3.2
168.09344	2.8
169.10114	12.0
170.10939	8.8
171.08044	6.1
171.11708	39.4
172.11209	2.7
173.09653	7.2
173.13281	2.6
175.11224	3.6
179.08557	3.0
180.09346	2.7
181.10109	6.2
182.11040	1.7
183.08110	2.6
183.11697	27.7
184.07353	13.8
184.08813	3.3
185.09622	6.8
185.13292	35.5
186.09082	12.1
187.11263	5.6
187.14873	2.3
188.10724	59.9
191.10594	1.7
193.10223	3.5
193.12247	4.3
195.08058	1.8
195.11702	8.6
197.09665	6.2
197.13277	5.4
198.10435	5.1
199.11243	14.6
200.10605	8.1
201.12724	2.9
202.12305	9.5
205.10304	1.8
205.12320	4.8
207.11781	5.7
209.09558	3.3
209.13341	2.6
211.11345	10.9
213.12766	42.5
214.08635	12.7
214.12321	6.1
216.10251	8.2
217.10240	3.6
217.12189	2.3
219.08096	1.8
219.11728	3.8
221.09732	2.2
221.13261	4.9
223.11186	5.4
225.12541	1.7
226.12265	4.6
229.10120	3.0
229.12250	2.8
229.14346	2.2
230.11453	2.7
231.11696	4.5
231.13867	4.7
232.09787	4.7
232.12442	4.9
233.13216	4.5
234.11302	25.1
234.13766	2.9
235.11316	3.8
235.14914	3.5
237.12753	2.2
238.12376	2.2
241.12227	5.7
243.11671	3.2
243.13805	4.6
244.09875	2.0
244.12512	7.2
245.13220	5.9
245.15430	16.1
246.11124	5.0
246.13846	2.5
247.11279	3.9
247.14871	5.1
248.12613	3.9
249.12669	2.8
249.16391	2.4
255.13972	3.0
257.13284	5.1
258.14066	4.5
259.11066	2.8
259.15054	9.9
260.09164	5.5
260.15610	3.1
261.12701	4.0
261.16623	3.1
262.10696	5.5
262.13565	5.6
265.12186	2.6
267.11667	2.4
267.16104	4.0
268.13235	3.1
269.13251	3.7
271.14914	2.8
272.12741	3.1
273.14655	17.4
274.17233	2.2
275.14203	4.1
280.13412	2.1
283.14648	3.2
284.15631	3.2
285.16306	2.5
287.14316	6.9
287.17905	2.4
299.14365	2.1
299.18024	1.6
301.16150	3.8
302.16568	5.1
326.13828	3.4
327.17020	2.1
333.16989	2.4
339.17493	3.2
356.20157	2.4
357.18561	2.3
367.16684	2.0
368.19992	6.3
382.21695	7.0
386.21161	1.8
400.22861	8.1
401.58337	1.6
402.20517	4.0
410.21252	10.0
414.20767	12.3
415.20612	1.7
421.25931	5.8
428.22238	19.6
430.23950	3.2
432.21942	2.8
442.23822	2.9
444.21652	3.3
446.23254	10.4
447.27560	28.7
448.25006	1.7
456.21768	20.2
460.25101	8.6
461.28726	3.3
472.22327	2.2
474.22842	22.0
476.24469	2.4
478.25848	7.4
479.30057	1.9
488.24426	19.2
492.23837	3.0
506.25537	20.2
520.26959	4.6
524.26251	3.5
534.25000	13.1
538.28174	2.6
548.26178	5.4
552.25958	2.6
566.27570	28.9
567.27777	2.1
578.27521	13.3
580.28876	2.7
594.27026	12.9
598.30182	100.0
599.30396	4.3
612.28027	5.9
626.20502	2.2
626.29840	21.9
676.31427	3.4
694.31885	5.2
695.30463	10.0
708.33820	8.6
726.33051	34.1
727.33203	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	725.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.01848	1.5
55.05515	17.8
63.23144	1.3
67.05519	5.6
69.03435	3.1
69.24952	10.5
71.04995	2.2
77.03925	1.7
78.73171	1.1
79.05497	5.2
81.03422	1.8
81.07059	7.5
83.04987	25.1
85.02905	2.0
91.05483	10.1
93.07040	6.7
95.04953	6.8
95.08600	3.5
97.02927	1.1
97.06544	1.7
103.05473	47.1
105.03419	7.0
105.04547	1.5
105.07030	13.9
107.04952	1.9
107.08598	6.6
109.06532	3.5
109.10202	1.5
111.04465	3.8
115.05453	4.1
117.07026	5.5
119.04977	1.5
119.08594	13.1
121.06522	3.9
121.10172	3.3
123.08070	3.0
125.05943	1.8
128.06226	3.1
129.06993	3.2
131.04941	100.0
131.08566	7.4
132.05212	1.8
133.06499	5.3
133.10141	9.7
135.08040	3.8
137.06009	1.3
141.06979	1.7
142.07762	3.5
143.08566	8.3
145.06494	5.2
145.10182	6.4
147.08015	7.1
149.05923	1.8
149.09610	4.0
150.08847	1.2
151.07516	1.4
153.06966	1.9
155.08578	3.8
156.09294	3.7
157.06505	1.8
157.10146	14.3
159.08102	6.8
159.11746	6.3
161.05978	6.0
161.09656	5.1
162.06584	1.3
163.07613	2.8
167.08536	2.2
168.09280	1.2
169.02866	1.2
169.10167	10.8
170.10927	4.1
171.08105	4.6
171.11734	14.3
173.05952	2.0
173.09665	7.9
173.13290	3.3
175.07565	4.7
176.08171	1.3
177.05515	2.2
177.09116	9.7
178.09485	1.0
179.08566	4.1
181.10123	3.8
182.10847	2.0
183.08095	2.4
183.11696	19.7
183.13242	1.7
184.12529	2.1
185.09641	5.0
185.13281	9.1
187.07603	1.7
187.11218	4.4
189.05469	2.0
189.09189	3.7
191.10678	1.4
193.08630	2.6
193.10182	6.1
194.10854	1.5
195.11777	5.8
197.09654	6.2
197.13205	3.1
199.07549	1.2
199.11147	6.1
201.09161	2.2
201.12709	3.9
203.08617	2.2
203.10674	1.5
205.08534	1.5
205.10274	2.7
205.12201	1.5
206.10976	3.1
207.11690	7.8
208.12460	3.4
209.09628	3.2
209.13301	3.5
210.10364	2.2
211.11188	6.1
213.09187	2.7
213.12685	6.5
214.13168	1.3
215.08702	1.5
215.10762	3.5
216.09314	1.8
217.10133	4.7
217.12207	1.8
218.10939	2.5
219.11673	3.1
220.12523	3.4
221.09821	1.8
221.13303	7.4
221.58534	1.3
222.14098	1.8
223.11200	4.8
223.14842	4.1
224.11919	1.4
225.12706	2.7
229.10143	3.3
229.12347	4.0
230.10881	3.2
231.11670	3.7
231.13713	2.1
232.12486	3.6
233.09641	2.6
233.13356	6.3
234.10416	1.4
234.14082	3.8
235.11177	4.4
235.14857	6.1
236.11987	1.5
236.15567	1.3
237.12755	3.1
237.16365	5.6
239.10777	1.4
239.14319	1.6
241.12263	2.9
242.10776	2.2
243.11658	4.8
243.13776	2.3
244.12508	3.8
245.09570	2.8
245.13316	6.6
245.15457	2.6
246.14021	3.3
247.11197	6.0
247.14891	7.1
248.12071	1.4
248.15585	2.7
249.12831	3.9
249.16522	5.6
250.13451	1.5
250.17061	1.4
251.14363	3.6
255.11739	2.1
256.12598	2.7
257.13541	5.5
258.10309	1.4
258.14066	5.1
259.11084	3.1
259.13330	1.1
259.14917	4.1
260.12033	2.8
260.15512	1.3
261.12738	4.7
261.16428	4.2
262.13538	4.5
263.14401	3.7
263.17957	5.0
264.15155	1.8
265.12482	2.5
265.15903	4.8
267.11533	1.7
268.12604	1.8
269.13174	1.8
270.13858	1.8
271.11124	3.1
271.15085	2.3
272.11951	2.7
273.12634	2.2
273.16379	3.9
274.13315	1.5
275.14264	4.8
276.15048	3.3
277.12155	1.2
277.15891	5.1
278.16623	1.4
279.13928	2.5
283.14767	2.2
284.12152	1.8
284.15314	1.5
285.12720	3.2
285.16364	1.7
286.13544	4.9
286.16489	1.3
287.14246	4.3
287.17697	2.4
288.14987	1.9
289.12076	1.5
289.15771	4.9
290.16455	1.5
291.13947	2.1
291.17245	9.0
293.15384	2.2
297.16074	1.4
298.13715	1.4
299.10757	1.3
299.14502	2.6
299.17838	1.7
300.15094	3.0
301.12854	1.3
301.15945	7.1
303.14020	3.0
303.17654	1.8
304.14484	1.5
305.15521	2.3
307.16830	3.5
309.18527	5.1
310.04126	1.2
313.12286	2.6
313.15875	2.5
314.13281	1.9
315.13773	2.9
315.17426	7.6
317.15253	4.1
317.18918	1.4
319.16763	6.7
321.14932	2.0
321.18497	1.8
323.16617	2.0
327.13831	2.3
327.17325	2.3
328.14584	1.5
329.15390	5.5
330.16138	1.3
331.17035	3.9
333.18433	5.0
337.18051	4.5
341.15121	1.9
343.16949	10.7
345.14755	2.4
345.18542	2.9
347.16452	5.6
349.14081	1.4
349.17941	4.4
351.19748	2.1
357.14795	2.2
359.16254	2.9
361.17993	10.3
363.15756	2.0
363.19714	2.7
365.17441	4.3
367.19070	3.4
371.16312	5.7
373.18021	4.7
375.15863	3.1
375.19717	3.2
377.17383	2.9
379.19055	6.7
381.17007	1.7
387.19791	1.5
389.17551	10.6
391.19122	2.7
393.16965	3.1
397.20050	4.3
399.16913	1.6
401.17480	2.3
403.18991	3.8
405.20819	2.2
407.18619	10.5
409.20398	1.8
417.17078	3.9
419.18167	6.2
421.20126	1.5
425.19733	5.4
431.18155	1.7
433.20270	2.5
435.17767	3.1
437.19687	4.3
439.21222	6.8
449.19528	3.4
453.18839	1.9
455.20471	1.7
457.22232	5.7
465.22653	2.9
467.20630	4.7
470.32010	2.3
481.22046	1.7
485.21851	3.7
499.23279	1.7
517.24066	2.7
528.36011	1.6
545.24249	1.6
565.27832	2.0
631.09241	1.5
690.33197	4.0
725.31262	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	725.317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.5
53.03947	12.2
55.01874	4.0
55.05515	12.5
61.02905	1.9
67.05515	11.4
69.03437	3.6
77.03902	3.0
79.05497	15.4
81.03423	2.5
81.07058	8.1
83.04991	16.4
85.02904	6.1
91.05495	20.7
93.07067	17.4
95.04965	13.8
95.08594	7.8
98.20702	3.6
101.02350	2.6
103.05466	8.6
105.03400	100.0
105.04513	5.8
105.07015	21.0
107.04940	8.8
107.08596	9.7
109.06564	3.5
109.10129	4.3
110.37725	2.4
115.05437	3.8
116.07046	2.0
116.60807	2.0
117.07022	5.0
119.04929	6.5
119.08580	16.8
121.06474	3.3
121.10151	3.8
128.06265	3.2
129.06999	7.4
130.07759	2.6
131.04948	17.8
131.08566	12.6
133.06523	12.9
133.10110	12.8
135.08080	2.8
141.07018	4.0
142.07803	6.1
143.08514	11.1
145.06494	6.6
145.10156	10.4
147.04404	2.8
147.08034	6.7
149.06004	2.9
149.09610	6.0
151.07510	4.7
155.08560	6.6
155.63052	2.4
156.09308	11.4
157.10132	19.7
159.08061	9.8
159.11707	6.2
161.05965	6.9
161.09613	4.8
163.11244	3.2
165.09137	3.8
167.08516	3.7
168.09305	3.1
169.10153	16.0
170.10880	5.4
171.08038	6.5
171.11700	37.4
173.09590	8.1
173.13231	2.7
175.07579	4.2
177.05383	2.3
177.09013	4.2
179.07071	3.5
179.08452	4.0
181.10092	5.2
183.08124	5.2
183.11699	30.3
184.12402	2.5
185.09598	5.7
185.13254	25.7
187.04153	2.7
187.11145	3.9
188.98129	2.3
192.09369	3.8
193.10146	4.8
194.10855	2.8
195.11714	9.9
196.08949	2.1
197.09598	7.2
197.13274	7.8
198.10370	2.6
199.11221	8.0
201.12761	5.9
205.10272	2.8
205.12169	2.9
207.11752	7.4
209.13249	7.6
211.11185	11.3
213.09166	3.0
213.12743	16.6
215.10649	3.5
217.10217	3.4
217.12242	2.1
218.10919	2.7
219.11679	6.2
220.12303	3.2
221.13245	6.9
223.14763	3.7
225.12874	2.5
229.09952	5.8
229.12280	7.7
230.10866	4.3
231.11626	7.3
231.13731	3.5
232.12427	2.7
233.13240	5.5
234.13971	3.7
235.14799	3.8
237.12813	5.2
237.16266	2.8
241.12212	4.5
243.11676	7.5
243.13837	14.6
244.12448	7.4
245.13197	9.3
245.15437	19.2
246.14111	4.9
247.11185	2.6
247.14839	7.9
249.12762	4.0
249.16391	6.5
251.14279	3.3
255.11647	5.6
256.12421	4.3
257.11499	3.1
257.13547	3.1
258.14059	6.7
259.11282	2.9
259.14822	9.4
260.15411	4.3
261.12787	3.6
261.16409	12.6
263.14410	2.8
263.17914	4.3
269.13123	2.6
270.13986	3.7
271.14938	3.6
272.15613	2.9
273.12393	3.6
273.14838	3.7
273.16791	2.8
274.13498	5.0
275.14383	4.8
275.17877	5.1
277.12317	2.4
277.15942	5.8
283.11243	3.6
284.11865	2.6
284.15308	2.7
285.12695	3.7
285.16354	4.7
287.14282	3.9
288.15137	3.0
289.15707	6.8
291.14508	2.5
291.17484	9.8
293.18936	2.6
297.12863	2.5
298.13544	5.0
299.14209	5.9
300.14835	3.2
301.15875	6.7
303.17413	8.4
307.16983	3.9
312.14926	2.6
313.12460	2.4
313.15991	6.2
315.17368	3.3
317.15311	5.6
317.18884	2.9
319.16794	9.9
321.18454	4.3
327.17133	2.5
329.15250	3.7
331.16840	13.7
333.18268	4.8
335.20004	2.9
341.15125	3.2
345.18494	6.4
347.16342	3.3
349.17892	3.9
351.19412	8.2
355.16861	4.1
359.16422	9.0
361.18118	4.5
363.19489	9.1
373.18048	11.7
377.17334	6.7
381.20413	6.6
387.19257	6.2
391.19113	17.3
401.17404	4.6
403.18881	3.9
405.20569	9.5
409.20273	3.1
415.19067	3.4
419.18494	7.2
423.21701	7.8
424.27493	3.3
433.20053	11.3
435.52448	2.5
451.21310	23.6
455.24344	3.3
465.22385	11.3
469.22607	3.5
483.23615	9.1
511.23230	4.2
529.24377	4.1
633.26837	3.7
664.72961	2.2
725.36279	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	725.317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.7
52.46333	0.6
53.03944	3.1
55.01863	1.7
55.05513	5.9
56.05861	0.8
59.34546	0.6
65.03951	0.8
67.05506	6.2
67.43964	0.7
69.03429	2.4
69.07076	1.6
69.20438	6.1
71.04993	1.3
73.02934	0.9
77.03941	1.5
79.05505	4.5
81.03407	2.0
81.07064	5.9
82.07410	0.8
83.04990	9.5
83.08607	1.5
85.02903	1.9
85.06596	0.7
87.04454	1.3
91.05488	5.8
93.07075	4.1
95.04982	6.8
95.08612	2.5
97.02894	1.1
97.06538	1.4
98.06049	0.7
98.21554	1.5
99.04450	1.5
101.02381	2.1
103.05479	48.1
105.03408	7.1
105.04506	1.6
105.07035	5.0
107.04935	1.4
107.08588	2.5
109.02865	0.8
109.06530	2.7
109.10160	2.1
110.10547	0.8
111.04455	2.6
115.05463	1.7
117.07033	3.1
119.04984	1.1
119.08591	5.3
121.06502	2.6
121.10167	1.3
123.08098	4.5
128.06218	1.5
129.06998	1.9
131.04941	100.0
131.08569	3.2
132.05261	1.8
133.06502	3.4
133.10150	3.5
135.08066	2.0
137.02377	1.9
141.07037	0.9
141.62573	0.8
142.07806	2.1
143.08571	4.5
145.06479	2.0
145.10147	3.3
147.08070	3.5
149.06001	2.7
149.09633	2.2
153.06950	0.8
155.08580	2.9
156.09325	1.5
157.10144	5.7
159.08057	4.7
159.11732	2.8
161.06013	2.0
161.09604	2.3
163.07584	2.0
163.11127	0.7
165.07043	2.3
165.09138	1.3
167.08586	2.0
168.09300	0.7
169.10196	5.7
170.10922	3.0
171.08113	1.9
171.11707	5.6
173.06055	0.7
173.09674	2.2
173.11880	0.7
173.13342	1.1
177.05515	0.8
177.09106	1.3
179.07137	1.2
179.08495	4.6
180.09384	1.3
181.10199	4.1
183.08165	1.4
183.11700	12.6
184.12442	2.6
185.09671	3.5
185.13277	3.7
187.07640	1.2
187.11221	2.5
189.09134	1.3
192.09399	2.2
193.10146	6.3
194.10893	3.9
195.08092	1.2
195.11717	6.6
196.08867	0.8
196.12381	0.9
197.09566	3.9
197.13324	3.1
198.10355	1.4
199.07762	0.8
199.11186	2.8
199.18736	0.8
201.09129	1.5
201.12822	1.4
202.07832	0.7
203.08694	1.4
205.08511	1.4
205.10164	1.9
206.10957	3.3
207.08231	1.2
207.11716	10.8
208.12489	7.0
209.09663	2.3
209.13283	8.3
210.10474	0.7
210.13846	1.1
211.11211	5.6
211.14929	0.8
213.09218	1.1
213.12729	3.9
215.08647	0.9
215.10614	0.9
216.09468	1.0
217.10291	1.5
217.12241	0.8
218.10950	2.0
219.11797	3.3
220.08987	0.9
220.12498	3.4
221.09709	1.7
221.13242	8.6
222.10439	1.4
222.14003	4.3
223.11455	3.8
223.14815	11.4
224.12106	0.8
224.15640	2.3
225.09021	1.4
225.12811	3.9
225.16415	1.8
227.10689	1.7
229.10208	1.6
229.12265	1.6
229.14412	1.8
230.11014	1.7
230.14745	0.8
231.11931	3.9
232.12514	3.0
233.09737	1.3
233.13297	4.4
234.10458	0.8
234.14099	2.1
235.11295	4.9
235.14816	8.4
236.12094	1.8
236.15588	1.3
237.12834	5.1
237.16397	17.6
237.18665	1.4
239.10655	1.7
239.14388	3.0
241.12279	0.9
243.11771	2.3
243.13927	1.3
244.12523	1.8
245.09653	1.0
245.13345	3.3
246.14043	3.5
247.11227	2.8
247.14848	4.8
248.12053	2.2
248.15454	1.0
249.12831	5.4
249.16360	2.2
250.13593	1.4
251.10625	0.9
251.11797	1.0
251.14333	11.9
251.18098	1.7
252.14784	1.2
253.12288	1.8
256.12460	0.8
257.13309	2.2
258.14023	2.8
259.11124	1.5
259.14874	2.5
260.12064	1.6
260.15564	1.1
261.12692	4.6
261.16632	4.2
262.13623	2.1
263.10806	0.8
263.14346	5.1
263.17975	2.9
264.15140	1.4
265.12320	2.4
265.15924	9.2
266.13098	0.8
267.13834	2.7
269.17581	1.7
270.14105	1.9
270.17865	1.0
271.14758	1.5
272.11951	1.0
272.15927	0.8
273.12692	2.1
273.16711	0.8
274.13666	1.2
275.14328	3.1
275.17529	0.7
276.15152	1.2
277.12531	1.5
277.15927	4.1
278.16736	1.7
279.13919	3.5
279.17487	9.5
281.15564	1.3
283.16992	1.8
284.12003	0.8
285.13107	1.2
285.16373	1.3
286.13516	1.2
287.14496	1.5
287.17908	1.0
288.14935	1.0
289.16122	3.9
290.13156	1.1
291.13907	2.2
291.17484	3.2
293.15463	1.6
295.16983	2.4
300.15161	1.6
301.16025	1.4
303.14078	1.6
303.17474	2.1
305.15323	2.5
305.19037	1.6
307.13577	0.8
307.16931	9.7
309.14734	1.2
313.15793	1.3
315.13858	1.3
315.17563	2.6
317.15424	2.6
319.16901	3.0
321.14948	1.2
323.12848	1.3
323.16458	1.6
325.17935	5.9
328.14355	0.9
329.15451	1.8
331.13437	1.0
331.17010	2.6
333.14877	1.3
333.18582	1.8
335.16519	4.2
337.17987	1.8
341.14517	0.8
343.16901	2.0
345.14755	1.2
345.18704	1.1
347.16553	4.1
349.18076	1.2
351.15976	0.8
351.19812	0.8
353.17508	2.5
361.18002	12.4
363.15897	2.5
363.19879	1.0
365.17459	6.8
367.15381	3.4
367.19241	1.8
371.16287	1.8
373.18103	1.5
375.15848	1.9
379.19067	12.1
381.16876	2.0
385.20093	1.2
389.12567	0.7
389.17569	15.4
391.15320	2.0
391.19760	1.1
393.16956	2.7
397.20154	3.8
399.18158	6.6
407.18573	20.8
409.16278	1.5
411.21664	2.2
417.16861	5.7
421.20212	1.9
423.18158	1.2
423.27625	2.1
424.27817	4.1
425.19620	18.1
435.18143	6.9
439.21207	5.6
441.19220	1.8
449.19797	1.5
453.18729	3.4
457.22278	8.0
458.24020	0.8
463.17120	0.9
467.20859	5.1
473.21829	1.3
485.21744	3.1
499.22894	1.0
501.22916	1.2
517.24469	2.7
528.35211	0.7
555.24213	0.9
563.33344	0.8
577.26312	1.2
593.27161	3.2
693.29028	6.1
725.31354	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	725.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
54.56774	0.2
55.01867	0.3
55.05516	1.7
57.03422	0.6
65.03931	0.5
67.05512	5.3
68.99796	0.5
69.03435	2.4
69.07079	1.2
69.68025	1.0
71.04984	0.7
79.05061	0.3
79.05502	4.2
81.03428	4.8
81.07065	4.9
83.04969	0.7
83.08611	0.7
85.02914	1.4
85.06492	0.2
91.05485	3.3
93.07056	4.8
95.04969	0.9
95.08611	3.6
97.02908	2.5
97.06543	0.3
97.10145	0.3
99.04459	0.5
103.03957	0.2
103.05445	0.3
105.07055	2.4
107.04967	0.2
107.08604	2.4
109.02876	1.6
109.06514	0.2
109.10174	1.9
111.00811	0.5
111.04463	0.3
111.08070	0.3
115.05498	0.2
117.07021	1.5
119.08589	1.9
121.02882	0.8
121.06561	0.3
121.10151	2.4
123.04409	0.3
123.11718	0.4
127.03941	1.0
129.07007	0.6
131.08585	1.6
133.10121	1.2
135.11699	1.2
137.02341	2.8
137.09581	0.3
143.08600	0.3
145.04929	0.2
145.06412	0.2
145.10130	1.5
147.11682	0.8
149.02406	0.3
149.09587	0.3
149.13286	0.9
153.01833	3.5
157.06514	0.2
157.10152	0.5
159.11739	0.9
161.05980	0.3
161.09581	0.2
161.13281	0.4
163.03957	0.5
165.01830	1.9
166.02626	0.3
171.11703	0.3
173.06032	0.3
173.13295	0.9
173.41525	0.2
175.11220	0.2
183.02998	0.9
183.04311	0.2
185.13272	0.2
187.03983	0.2
187.14838	0.3
193.12318	0.2
195.02959	0.2
199.14877	0.2
201.05475	1.4
207.11548	0.2
211.04042	0.2
215.03439	0.3
229.04980	3.7
233.04546	0.3
243.21123	0.3
247.06084	0.5
257.04456	2.7
259.20673	0.3
261.22189	1.5
273.22537	0.2
274.04736	0.8
277.21652	0.2
285.03976	1.6
291.23364	0.2
303.05008	100.0
304.05365	1.6
335.25745	0.3
345.06107	0.5
369.24265	0.5
387.25256	0.2
404.20810	0.2
405.26199	0.3
435.32315	0.2
584.92639	0.2
722.78650	0.2
725.31055	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
65.03934	0.5
67.05504	0.7
69.34612	3.4
70.06581	0.5
71.04991	0.5
74.47169	0.4
77.32251	0.4
79.05491	1.1
80.05022	0.5
81.07096	0.5
82.06578	0.5
85.02900	0.7
89.03941	0.4
91.05460	0.7
93.07055	0.5
94.06579	1.6
95.04949	0.7
95.07367	0.7
96.08156	2.5
96.39194	0.5
108.08104	0.7
109.05257	0.5
110.06033	0.6
110.09682	2.5
116.04979	3.5
120.08103	1.8
122.06036	3.8
123.06743	0.5
124.07599	4.8
134.06004	0.7
136.07591	2.8
137.04735	1.7
137.05943	0.4
138.05493	2.4
138.09148	2.6
140.07039	0.9
144.04463	8.6
146.06012	1.5
148.07530	0.8
151.06287	1.6
152.07079	85.7
153.07477	1.0
154.08603	1.4
160.03952	1.4
162.05525	3.8
164.07097	0.9
166.08658	24.4
167.05791	0.7
172.03952	48.8
173.04344	0.7
174.05540	0.6
182.08145	19.2
187.08746	0.4
190.05000	5.1
194.08144	100.0
195.08409	0.9
200.09145	4.8
200.10738	0.5
204.06577	88.1
205.06941	1.5
212.09196	93.9
213.09784	0.9
214.08641	0.7
241.09637	2.2
255.11295	2.2
259.10794	6.6
271.05914	0.5
273.12277	1.8
279.11127	0.8
283.10767	5.1
297.12259	2.5
299.13989	0.9
301.11896	10.6
307.07126	0.6
311.10361	1.1
311.13742	0.4
313.11987	0.7
315.13324	3.7
319.12857	8.6
323.10275	3.6
325.08075	0.6
325.11871	10.9
329.11151	0.5
329.14868	1.2
333.10623	0.7
333.14471	12.0
337.13885	2.8
339.09607	1.3
339.13394	1.2
343.12952	1.4
349.13907	0.7
351.15576	2.1
357.14484	22.2
358.15033	0.7
367.12903	0.4
373.14001	0.5
403.34030	0.5
417.10559	0.7
417.77591	0.5
424.53091	0.5
448.47818	0.6
492.17297	1.0
494.19296	1.3
506.19183	0.8
508.20987	3.3
522.18311	0.5
524.20435	3.8
542.21301	1.1
568.21552	0.6
639.22852	0.6
657.24799	1.7
675.25610	0.6
693.26733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.5
55.01877	4.2
55.05516	20.8
57.03440	20.4
57.07086	2.2
61.02947	5.0
65.03930	4.2
67.05510	70.5
68.05851	4.2
69.03422	4.9
69.07068	20.8
71.04988	6.8
71.15510	2.7
72.89677	1.9
73.02944	2.6
73.20052	2.1
73.72134	2.1
76.08542	1.9
79.05064	3.5
79.05502	51.6
80.05831	3.6
81.03426	85.6
81.07061	72.6
82.07393	5.2
83.04969	6.2
83.08626	25.8
85.02907	4.6
85.06540	4.3
91.03991	2.2
91.05488	50.8
92.05828	3.5
93.07050	59.3
94.07396	5.9
95.04978	28.5
95.08054	3.6
95.08620	53.4
97.02920	5.3
97.06538	5.2
97.10187	5.7
105.07043	34.8
106.07419	2.4
107.04964	5.5
107.08610	34.7
109.06489	3.8
109.10168	21.9
111.08089	7.9
115.05434	2.9
117.07024	12.1
118.07334	3.9
119.04947	2.2
119.08591	24.7
121.06461	4.2
121.10162	25.9
122.10477	2.6
123.08089	4.5
123.11711	4.6
125.09635	4.6
129.07036	11.8
131.08585	22.7
132.08900	3.3
133.06467	2.5
133.10159	18.4
135.08141	2.3
135.11696	12.3
137.13232	2.2
143.08530	4.8
145.10129	15.7
147.08109	2.7
147.11674	10.5
149.09625	5.4
149.13254	5.3
157.10159	10.1
159.11679	9.2
161.13283	7.5
163.14844	3.4
171.11726	3.9
171.99309	1.9
173.13295	6.4
175.11176	9.0
177.42143	2.1
178.12059	2.3
187.14864	2.7
189.11241	2.0
193.12270	18.6
193.45911	2.4
227.12753	4.5
231.51335	2.0
243.21164	7.5
249.14778	3.1
257.19040	2.5
261.22180	21.6
267.15933	100.0
275.20087	3.5
279.23196	2.2
301.25351	3.0
309.16940	2.5
317.24643	3.0
335.25830	95.8
435.32742	3.3
453.33630	7.6
471.34729	4.4
476.90073	2.7
527.37378	49.5
528.38239	2.8
545.38458	33.6
569.38452	4.7
595.46960	12.8
607.43097	2.2
631.44452	4.7
635.39203	2.6
689.48669	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	724.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56378	0.8
55.01884	2.0
55.05516	10.3
57.03439	12.0
57.26076	0.8
61.02927	1.1
67.05172	1.4
67.05508	19.7
69.03417	2.5
69.07064	5.2
70.11216	3.4
71.04990	4.9
73.02927	0.8
76.49040	0.8
79.05064	1.5
79.05498	19.5
81.03422	84.7
81.07058	21.0
83.04988	9.4
83.08620	23.3
85.02906	11.0
85.06543	1.7
91.05485	25.9
93.07043	13.8
94.63541	0.7
95.04364	1.6
95.04973	28.6
95.08609	8.2
97.02895	2.5
97.06530	3.4
97.10180	6.7
105.07037	19.0
107.04974	7.2
107.08600	8.2
108.12127	0.9
109.06516	4.5
109.10155	4.5
111.04469	2.2
111.08102	9.5
113.05979	1.5
115.05469	1.5
117.07031	3.4
119.04969	1.3
119.08585	17.4
119.09353	1.4
121.06523	4.9
121.10157	6.9
123.08067	2.8
123.11690	1.3
125.09635	3.9
128.06215	1.1
129.07014	11.9
131.04922	1.4
131.08577	10.8
133.06512	3.2
133.10118	8.3
133.34158	0.8
135.08093	2.3
137.05927	0.9
137.09596	2.0
142.07784	2.3
143.08577	1.5
145.06499	3.7
145.10127	3.0
147.08096	4.4
147.11684	12.0
149.09641	5.8
151.11137	0.8
155.08559	1.7
157.10153	13.2
159.08107	0.9
163.11140	1.0
165.12799	3.4
169.10219	1.2
171.08012	1.2
171.11623	1.0
175.11195	12.3
185.13264	0.9
189.12721	0.9
192.34695	0.8
193.12247	33.4
195.11630	1.4
196.00581	0.8
197.13284	1.0
211.13290	14.8
217.11937	0.8
223.13350	0.9
231.13815	1.5
233.15407	1.8
249.14944	1.7
255.13846	1.9
267.15927	100.0
268.16339	1.3
273.14810	4.7
285.17001	14.1
293.01691	0.9
339.23407	1.4
341.21280	1.7
349.21619	2.4
367.22580	8.1
385.23758	8.5
403.24734	3.1
415.24988	1.3
433.25922	15.1
441.26328	6.6
459.27444	76.8
460.27942	1.6
477.28497	52.1
519.29510	1.7
585.30011	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01870	4.6
55.05514	74.0
57.03446	1.9
67.05518	7.3
69.03432	2.0
69.07078	3.1
69.18616	1.2
69.18796	2.7
69.19203	12.5
70.06595	5.0
71.04994	1.9
72.04524	4.1
74.06074	6.0
79.05505	6.8
81.03427	5.2
81.03873	1.3
81.07061	8.1
81.77083	1.3
82.02948	10.0
82.06573	1.6
83.04987	100.0
83.08611	1.4
91.05486	13.3
93.07049	7.5
94.06591	2.0
95.05000	4.2
95.08598	4.9
97.06528	2.2
98.06060	13.3
98.21538	2.4
101.18354	1.2
103.05491	2.7
105.03402	4.8
105.07030	10.0
107.04985	2.3
107.08585	5.5
109.06515	1.8
109.10168	1.9
110.06060	3.2
115.05480	2.9
117.06999	6.4
119.08580	13.8
121.06530	1.8
121.10167	2.7
122.06052	2.4
123.08063	2.8
125.09627	1.5
126.05524	87.8
127.07567	4.7
128.06221	3.0
129.07013	5.1
131.04926	2.7
131.08582	9.2
133.06540	1.4
133.10136	12.9
135.08052	1.7
135.11676	1.6
140.07040	1.3
141.06996	3.1
142.07794	1.9
143.08583	9.1
145.06543	5.4
145.10136	7.9
147.08044	6.1
147.11716	2.5
149.09607	2.9
155.08600	4.1
156.06561	4.0
156.09360	7.8
157.10146	14.5
158.09692	2.3
159.08090	6.9
159.11658	6.6
161.09578	6.6
163.11148	2.1
167.08553	2.3
169.10161	7.9
170.10918	4.5
171.08035	4.8
171.11699	20.4
173.09668	6.1
173.13293	2.9
175.11183	2.1
179.08603	2.2
181.10158	2.6
183.08075	2.5
183.11720	15.3
184.08963	2.0
185.09662	2.7
185.13286	11.5
186.09189	5.9
187.11270	1.9
188.10712	22.3
191.10625	1.5
193.10168	2.9
193.12248	2.3
194.10890	1.6
195.08101	2.0
195.11722	3.5
197.09636	3.2
197.13252	2.5
198.10454	3.5
199.11194	13.5
200.10684	2.3
201.12830	1.6
202.12354	2.1
204.10242	5.0
206.11809	19.8
207.11681	5.0
209.09634	3.7
209.13373	1.5
211.11166	3.4
212.32344	1.5
213.12756	23.5
214.08658	6.4
216.13742	1.4
217.10353	1.7
218.11627	4.2
219.11716	3.9
220.13242	4.2
221.09743	1.9
221.13326	3.3
223.11128	2.8
225.12691	1.9
227.12613	1.8
229.10194	2.1
229.12251	2.6
230.11182	1.9
231.11688	4.2
231.13881	5.9
232.09683	9.4
232.12515	2.9
233.13245	3.8
234.11197	1.6
235.11137	2.2
235.14915	2.9
236.11969	1.5
237.12854	2.1
241.12253	3.7
243.11742	5.8
244.12610	4.9
245.13280	6.1
246.14101	2.6
247.11288	3.5
247.14903	2.2
249.12749	2.6
249.16290	2.4
256.09143	1.4
256.13303	4.2
257.13181	3.8
258.14041	3.7
259.10983	2.3
259.14856	5.4
260.11938	2.5
260.15613	3.2
261.12805	6.2
261.16425	4.8
262.13644	3.4
263.14294	2.7
265.12204	3.0
267.15802	3.0
269.13437	2.4
271.11078	1.5
271.14908	3.3
272.12088	2.8
272.15558	2.0
273.12683	3.5
273.16336	4.7
274.13608	3.3
274.17212	2.4
275.14316	3.8
275.18005	3.8
276.15149	2.6
277.15939	3.7
283.15256	3.2
284.12634	1.9
284.15677	2.5
285.16901	4.3
286.14017	4.4
287.14346	9.4
288.15857	8.6
289.15897	4.4
290.16745	1.9
291.16843	1.9
291.19739	3.0
292.17993	1.5
301.15985	8.9
302.16772	7.7
303.17270	1.8
304.14835	2.0
314.13797	2.9
315.17639	1.6
319.16922	3.5
320.17584	2.3
360.19614	1.9
365.23199	5.5
386.20963	5.4
388.19006	4.7
400.22992	8.8
402.24179	5.8
404.22308	2.8
410.21194	3.1
413.19885	2.0
416.22403	9.8
418.23813	5.6
428.22232	31.0
434.23544	1.9
446.23309	39.4
447.23575	1.8
459.27521	3.1
464.24344	12.5
477.28485	4.8
488.24359	2.3
498.26114	2.5
506.25439	22.8
510.26453	4.0
516.27069	1.8
518.29755	1.4
524.26410	11.8
528.27710	12.7
546.28638	11.9
564.29578	4.7
588.29437	3.7
606.20898	1.6
606.30707	27.0
624.31818	29.2
628.33087	1.5
670.20410	1.5
688.34912	3.6
706.35925	62.8
707.36053	3.2
724.37006	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	724.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.5
55.01859	5.6
55.05514	51.5
56.05040	13.7
57.03439	15.6
57.07062	4.3
59.05005	15.5
61.02927	6.6
65.03922	4.2
67.05514	100.0
69.03419	6.7
69.07078	18.3
69.22212	29.1
71.04996	15.8
79.05493	33.7
80.05025	4.1
80.70476	3.2
81.03417	14.7
81.07066	74.1
83.04987	46.1
83.08636	19.3
85.02905	5.6
85.06548	6.8
87.04467	23.8
91.05486	43.1
93.07066	41.0
94.06600	3.6
95.04977	12.9
95.08605	21.8
97.02897	5.9
97.06540	10.8
97.10164	8.7
97.74075	3.0
97.82811	2.8
98.20781	6.1
99.04449	9.1
103.05506	20.7
105.03403	11.2
105.07048	23.4
107.04977	9.0
107.08604	27.9
108.04499	19.0
108.08935	4.3
109.06499	4.0
109.10168	50.4
110.05983	4.1
111.04441	6.2
111.08073	9.1
113.06000	3.2
115.05486	5.7
117.07030	25.6
119.08591	25.5
121.06477	5.3
121.10143	12.8
123.11657	7.0
125.09658	9.4
126.05541	27.0
128.06221	6.2
129.07010	13.9
131.04941	34.6
131.08582	23.6
133.06509	9.3
133.10167	34.1
135.11687	6.0
137.09656	3.9
141.07016	4.3
142.07756	7.2
143.08562	21.9
145.06470	11.6
145.08755	3.3
145.10095	15.7
147.08037	8.3
148.07512	3.6
149.09608	8.8
149.13290	16.1
151.11244	4.4
154.05000	10.1
154.07828	3.2
155.08563	11.9
155.10605	4.0
156.09364	14.3
157.10159	25.4
158.09705	4.0
159.08057	5.9
159.11700	21.2
160.11243	10.5
161.06012	10.1
161.09592	12.6
162.09140	7.0
163.11177	6.3
169.10170	16.8
170.09589	4.0
170.10942	8.6
171.08057	5.3
171.11699	56.3
173.09642	9.5
173.11766	15.7
173.13174	5.8
175.11206	4.4
176.10625	3.9
177.09114	3.6
177.12788	6.6
181.10110	8.0
183.08089	6.0
183.11729	35.1
184.08746	3.9
185.09612	6.2
185.13278	43.4
186.09093	8.0
187.11223	6.0
188.09152	6.0
188.10730	84.2
191.10594	4.9
193.10167	6.9
195.11682	11.3
195.13829	11.0
197.09662	7.5
197.13303	10.0
198.10387	6.9
199.11198	13.7
200.10695	11.2
201.12817	6.7
202.12173	8.6
204.10280	7.7
205.10251	4.6
206.11000	3.1
207.11688	7.7
209.13354	4.8
211.11304	3.9
213.09291	4.5
213.12769	43.7
214.08630	16.9
216.10168	4.9
219.11850	4.7
220.12477	4.8
221.13242	4.9
223.11230	5.3
223.14836	4.9
226.12268	7.6
228.10417	3.5
229.12178	6.7
229.14352	43.0
231.11819	4.9
231.13765	6.3
233.15404	4.5
234.11273	59.3
235.11360	5.3
235.14760	5.5
237.12961	4.5
241.12228	7.7
243.11696	5.9
244.12518	7.3
245.13248	7.9
245.15425	17.1
246.11314	8.7
246.13972	4.1
247.14937	7.8
248.12671	4.5
249.12804	5.2
255.13770	5.0
258.14056	4.0
259.14886	9.1
260.09195	12.9
260.12622	3.1
262.10718	8.9
262.13617	5.4
268.13181	6.8
269.17514	56.0
271.15073	3.8
272.12766	5.1
273.14734	25.7
274.16406	3.8
277.15887	3.7
279.17554	3.8
283.15283	7.1
286.17932	4.7
287.17603	3.7
289.15848	5.3
297.16791	4.7
307.17429	3.6
315.18033	6.3
319.16965	3.8
346.16440	5.2
382.21750	6.6
398.21573	3.7
402.20651	6.7
410.20905	3.5
411.27188	6.6
414.20651	11.5
416.22180	4.1
423.21753	5.7
423.27463	94.1
428.22263	14.3
442.23462	5.2
444.21628	10.5
446.23135	18.7
456.21567	15.9
462.23581	3.9
464.24466	4.5
469.31726	6.6
474.22885	26.6
476.24408	15.2
477.28278	5.0
478.25540	8.1
488.24438	16.4
492.23587	9.6
495.06607	3.5
506.25305	24.2
509.30804	3.8
524.26135	5.5
527.35797	3.9
546.28497	4.0
562.33679	20.7
564.29651	7.6
574.28009	7.6
592.28986	13.1
606.30664	5.9
624.31421	4.6
692.34155	26.3
706.35400	5.8
724.37079	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	724.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01870	4.6
55.05514	74.0
57.03446	1.9
67.05518	7.3
69.03432	2.0
69.07078	3.1
69.18616	1.2
69.18796	2.7
69.19203	12.5
70.06595	5.0
71.04994	1.9
72.04524	4.1
74.06074	6.0
79.05505	6.8
81.03427	5.2
81.03873	1.3
81.07061	8.1
81.77083	1.3
82.02948	10.0
82.06573	1.6
83.04987	100.0
83.08611	1.4
91.05486	13.3
93.07049	7.5
94.06591	2.0
95.05000	4.2
95.08598	4.9
97.06528	2.2
98.06060	13.3
98.21538	2.4
101.18354	1.2
103.05491	2.7
105.03402	4.8
105.07030	10.0
107.04985	2.3
107.08585	5.5
109.06515	1.8
109.10168	1.9
110.06060	3.2
115.05480	2.9
117.06999	6.4
119.08580	13.8
121.06530	1.8
121.10167	2.7
122.06052	2.4
123.08063	2.8
125.09627	1.5
126.05524	87.8
127.07567	4.7
128.06221	3.0
129.07013	5.1
131.04926	2.7
131.08582	9.2
133.06540	1.4
133.10136	12.9
135.08052	1.7
135.11676	1.6
140.07040	1.3
141.06996	3.1
142.07794	1.9
143.08583	9.1
145.06543	5.4
145.10136	7.9
147.08044	6.1
147.11716	2.5
149.09607	2.9
155.08600	4.1
156.06561	4.0
156.09360	7.8
157.10146	14.5
158.09692	2.3
159.08090	6.9
159.11658	6.6
161.09578	6.6
163.11148	2.1
167.08553	2.3
169.10161	7.9
170.10918	4.5
171.08035	4.8
171.11699	20.4
173.09668	6.1
173.13293	2.9
175.11183	2.1
179.08603	2.2
181.10158	2.6
183.08075	2.5
183.11720	15.3
184.08963	2.0
185.09662	2.7
185.13286	11.5
186.09189	5.9
187.11270	1.9
188.10712	22.3
191.10625	1.5
193.10168	2.9
193.12248	2.3
194.10890	1.6
195.08101	2.0
195.11722	3.5
197.09636	3.2
197.13252	2.5
198.10454	3.5
199.11194	13.5
200.10684	2.3
201.12830	1.6
202.12354	2.1
204.10242	5.0
206.11809	19.8
207.11681	5.0
209.09634	3.7
209.13373	1.5
211.11166	3.4
212.32344	1.5
213.12756	23.5
214.08658	6.4
216.13742	1.4
217.10353	1.7
218.11627	4.2
219.11716	3.9
220.13242	4.2
221.09743	1.9
221.13326	3.3
223.11128	2.8
225.12691	1.9
227.12613	1.8
229.10194	2.1
229.12251	2.6
230.11182	1.9
231.11688	4.2
231.13881	5.9
232.09683	9.4
232.12515	2.9
233.13245	3.8
234.11197	1.6
235.11137	2.2
235.14915	2.9
236.11969	1.5
237.12854	2.1
241.12253	3.7
243.11742	5.8
244.12610	4.9
245.13280	6.1
246.14101	2.6
247.11288	3.5
247.14903	2.2
249.12749	2.6
249.16290	2.4
256.09143	1.4
256.13303	4.2
257.13181	3.8
258.14041	3.7
259.10983	2.3
259.14856	5.4
260.11938	2.5
260.15613	3.2
261.12805	6.2
261.16425	4.8
262.13644	3.4
263.14294	2.7
265.12204	3.0
267.15802	3.0
269.13437	2.4
271.11078	1.5
271.14908	3.3
272.12088	2.8
272.15558	2.0
273.12683	3.5
273.16336	4.7
274.13608	3.3
274.17212	2.4
275.14316	3.8
275.18005	3.8
276.15149	2.6
277.15939	3.7
283.15256	3.2
284.12634	1.9
284.15677	2.5
285.16901	4.3
286.14017	4.4
287.14346	9.4
288.15857	8.6
289.15897	4.4
290.16745	1.9
291.16843	1.9
291.19739	3.0
292.17993	1.5
301.15985	8.9
302.16772	7.7
303.17270	1.8
304.14835	2.0
314.13797	2.9
315.17639	1.6
319.16922	3.5
320.17584	2.3
360.19614	1.9
365.23199	5.5
386.20963	5.4
388.19006	4.7
400.22992	8.8
402.24179	5.8
404.22308	2.8
410.21194	3.1
413.19885	2.0
416.22403	9.8
418.23813	5.6
428.22232	31.0
434.23544	1.9
446.23309	39.4
447.23575	1.8
459.27521	3.1
464.24344	12.5
477.28485	4.8
488.24359	2.3
498.26114	2.5
506.25439	22.8
510.26453	4.0
516.27069	1.8
518.29755	1.4
524.26410	11.8
528.27710	12.7
546.28638	11.9
564.29578	4.7
588.29437	3.7
606.20898	1.6
606.30707	27.0
624.31818	29.2
628.33087	1.5
670.20410	1.5
688.34912	3.6
706.35925	62.8
707.36053	3.2
724.37006	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	723.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.01859	4.0
55.05518	21.9
57.03442	10.0
57.07071	3.4
62.52166	1.8
65.03948	3.2
67.05511	78.8
69.03420	6.9
69.06731	1.8
69.07074	23.2
69.20758	19.4
71.05000	22.7
71.08659	2.0
79.05066	2.8
79.05503	51.4
81.03430	19.5
81.07065	100.0
83.04990	13.6
83.08625	14.0
85.02876	2.7
85.06544	7.3
89.13531	1.9
91.05489	42.8
93.07055	48.2
95.04977	9.4
95.08053	3.4
95.08614	46.2
97.02908	6.3
97.06546	14.3
97.10152	6.8
99.04412	2.1
100.35772	1.9
101.28026	1.9
105.04527	2.2
105.07045	29.7
107.08599	31.2
109.06516	3.5
109.10175	17.4
111.08086	4.1
115.05521	1.9
117.07021	14.0
119.08579	19.1
121.06487	3.3
121.10161	21.2
123.08045	2.9
123.11713	12.5
125.09687	3.4
129.05476	5.8
129.07001	4.6
131.08577	19.9
133.10139	28.3
135.08023	2.0
135.11710	13.5
143.08580	4.4
145.10117	13.6
147.08078	2.0
147.11670	10.2
149.13232	6.7
150.43697	1.8
151.11156	6.9
157.10155	5.3
159.11676	13.6
161.13260	7.5
163.11232	3.5
163.14793	2.3
171.11714	3.4
173.04425	8.4
173.13268	6.1
177.12726	5.4
180.52861	2.3
183.11691	2.3
183.13800	2.3
187.13322	5.5
195.13739	2.2
205.19508	2.3
223.20619	2.6
243.16005	4.4
257.19196	4.2
261.22214	3.2
269.17453	7.5
275.20056	3.2
287.22189	8.1
325.23773	9.8
332.97458	2.3
335.25797	21.5
339.18100	2.3
343.24783	2.9
349.23611	3.1
405.25613	2.0
445.24246	4.1
485.36578	2.5
503.37308	38.1
505.38602	5.8
517.38367	3.3
529.38745	11.9
561.41565	35.4
673.43158	5.1
705.45850	11.6
723.35895	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	723.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.4
53.03946	4.7
54.92197	1.3
55.01868	2.5
55.05271	1.8
55.05514	22.0
57.03443	12.0
57.07068	3.2
65.03925	2.4
67.05508	76.0
69.03436	10.2
69.07077	17.2
69.25739	11.8
70.92772	1.3
71.04993	22.8
72.03504	1.2
73.02868	1.6
79.05499	38.8
81.03429	26.6
81.07061	100.0
83.04990	14.8
83.08629	10.6
84.08146	1.9
84.78108	1.5
85.02892	2.7
85.06548	6.8
87.04475	1.5
90.71928	1.3
91.05486	35.6
93.07049	48.3
95.04991	6.4
95.08614	35.8
97.02883	7.8
97.06550	7.7
97.10151	3.2
99.08068	3.1
100.46454	1.4
103.05496	1.6
105.04522	1.4
105.07038	21.3
107.04970	3.0
107.08597	22.1
109.02900	3.9
109.06493	2.0
109.10165	17.0
111.04451	3.2
111.08095	3.2
112.40282	1.3
113.42435	1.3
117.07037	9.9
119.04933	5.3
119.08587	12.5
121.06535	1.9
121.10153	20.8
123.08038	1.9
123.11684	14.6
125.09648	1.9
127.03906	2.8
128.06212	1.4
129.05472	6.2
129.06981	4.2
130.08684	2.0
131.08588	13.0
132.33786	1.4
133.06526	1.7
133.10143	21.3
135.08084	1.7
135.11682	12.6
137.06084	1.5
137.09714	1.9
143.08591	3.1
145.06483	2.1
145.10150	9.2
147.04419	22.2
147.08047	1.8
147.11708	6.8
149.13281	8.1
151.11180	6.2
157.10168	2.0
159.11728	10.0
161.13249	4.2
163.11166	1.9
169.10175	1.7
171.11707	2.4
173.04465	8.7
173.13300	3.9
175.11252	1.8
177.12741	3.7
183.11629	1.4
183.13890	2.9
184.07329	4.4
187.11891	1.2
187.13315	8.1
187.14847	2.8
195.11710	1.5
195.13754	3.5
197.13240	1.3
201.14783	1.5
204.99161	1.4
223.66397	1.4
227.16371	1.8
229.14270	2.0
243.15952	3.8
261.22083	5.5
267.15991	2.3
269.17441	9.2
335.25854	28.9
339.18079	2.3
413.21649	3.4
443.28238	1.8
445.24298	4.7
461.29401	1.8
503.37378	44.7
504.37692	1.7
505.38638	5.9
517.39032	4.0
529.39001	14.8
543.36334	1.4
561.41522	53.6
562.42090	1.7
647.40912	2.0
673.42743	6.2
691.44122	2.7
705.45837	14.0
723.32819	1.7
723.46338	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	723.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.4
53.03946	4.7
54.92197	1.3
55.01868	2.5
55.05271	1.8
55.05514	22.0
57.03443	12.0
57.07068	3.2
65.03925	2.4
67.05508	76.0
69.03436	10.2
69.07077	17.2
69.25739	11.8
70.92772	1.3
71.04993	22.8
72.03504	1.2
73.02868	1.6
79.05499	38.8
81.03429	26.6
81.07061	100.0
83.04990	14.8
83.08629	10.6
84.08146	1.9
84.78108	1.5
85.02892	2.7
85.06548	6.8
87.04475	1.5
90.71928	1.3
91.05486	35.6
93.07049	48.3
95.04991	6.4
95.08614	35.8
97.02883	7.8
97.06550	7.7
97.10151	3.2
99.08068	3.1
100.46454	1.4
103.05496	1.6
105.04522	1.4
105.07038	21.3
107.04970	3.0
107.08597	22.1
109.02900	3.9
109.06493	2.0
109.10165	17.0
111.04451	3.2
111.08095	3.2
112.40282	1.3
113.42435	1.3
117.07037	9.9
119.04933	5.3
119.08587	12.5
121.06535	1.9
121.10153	20.8
123.08038	1.9
123.11684	14.6
125.09648	1.9
127.03906	2.8
128.06212	1.4
129.05472	6.2
129.06981	4.2
130.08684	2.0
131.08588	13.0
132.33786	1.4
133.06526	1.7
133.10143	21.3
135.08084	1.7
135.11682	12.6
137.06084	1.5
137.09714	1.9
143.08591	3.1
145.06483	2.1
145.10150	9.2
147.04419	22.2
147.08047	1.8
147.11708	6.8
149.13281	8.1
151.11180	6.2
157.10168	2.0
159.11728	10.0
161.13249	4.2
163.11166	1.9
169.10175	1.7
171.11707	2.4
173.04465	8.7
173.13300	3.9
175.11252	1.8
177.12741	3.7
183.11629	1.4
183.13890	2.9
184.07329	4.4
187.11891	1.2
187.13315	8.1
187.14847	2.8
195.11710	1.5
195.13754	3.5
197.13240	1.3
201.14783	1.5
204.99161	1.4
223.66397	1.4
227.16371	1.8
229.14270	2.0
243.15952	3.8
261.22083	5.5
267.15991	2.3
269.17441	9.2
335.25854	28.9
339.18079	2.3
413.21649	3.4
443.28238	1.8
445.24298	4.7
461.29401	1.8
503.37378	44.7
504.37692	1.7
505.38638	5.9
517.39032	4.0
529.39001	14.8
543.36334	1.4
561.41522	53.6
562.42090	1.7
647.40912	2.0
673.42743	6.2
691.44122	2.7
705.45837	14.0
723.32819	1.7
723.46338	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	723.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86576	0.8
51.02377	1.0
53.03943	3.4
55.01874	1.8
55.05509	1.6
57.03445	1.3
61.02924	2.2
65.03935	1.0
67.05505	3.6
69.03427	6.2
69.07063	2.3
70.12536	0.7
71.04998	1.2
71.55130	1.1
79.05511	4.8
81.03427	4.0
81.07059	4.2
83.04987	3.2
85.02909	11.6
91.05479	6.9
91.12222	0.7
91.12786	0.7
93.07040	4.9
95.04981	7.4
95.08620	4.1
97.02916	5.1
97.06535	1.0
99.04441	1.2
103.05475	41.0
104.05768	1.1
105.03406	9.0
105.04513	1.2
105.07030	9.4
106.62376	0.8
107.04974	1.7
107.08587	3.8
109.02875	9.6
109.06521	2.2
109.10191	2.1
110.03185	2.0
115.05479	2.6
117.07030	3.6
119.08600	8.0
121.06494	2.3
121.10211	1.5
123.08067	1.3
127.03924	9.3
128.04295	1.7
128.06215	1.8
129.07014	3.7
131.04936	100.0
131.08571	6.8
132.05258	2.2
133.06467	5.0
133.10136	9.7
135.08084	3.1
139.03984	0.8
141.07008	2.4
142.07819	3.8
143.08577	7.8
145.04985	2.1
145.06488	4.3
145.10136	6.0
146.30298	0.9
147.08080	4.1
147.11650	1.2
149.05934	1.6
149.09648	2.7
151.07553	1.2
153.06995	1.1
155.08540	4.3
156.09384	7.0
157.10144	10.7
158.07318	1.0
158.10930	0.9
159.08043	8.7
159.09068	0.9
159.11731	3.6
161.05981	7.1
161.09631	3.9
161.13301	0.8
163.07549	4.0
163.11159	2.1
165.06976	1.8
167.08643	1.9
168.09312	1.1
169.04987	2.3
169.10138	5.6
170.10939	8.9
171.08054	5.0
171.11697	11.3
172.08842	3.5
172.12143	1.0
173.09641	5.4
173.13293	3.6
175.07532	1.8
175.11197	1.5
177.09140	2.0
179.07010	2.4
179.08534	1.8
180.09355	2.1
181.10133	1.7
182.10963	1.2
183.08078	5.0
183.11694	13.4
184.08841	1.9
184.12373	1.3
185.09651	8.7
185.13266	14.2
186.10390	2.5
187.06030	2.7
187.07564	1.3
187.11215	10.5
189.09125	1.8
189.12776	7.9
193.10083	1.9
195.11731	2.9
196.08852	0.9
197.09634	3.0
197.13339	2.3
198.10452	11.1
199.11197	5.3
200.12027	2.0
201.09158	1.6
201.12759	10.9
203.10698	1.2
205.07072	14.8
205.10089	1.0
206.07399	4.4
206.10834	1.0
207.11716	2.5
209.13141	1.2
211.11201	3.2
213.12752	42.9
214.13464	1.1
215.10703	2.0
215.14339	2.2
217.12207	0.9
220.12407	1.6
221.13278	3.6
223.11212	2.6
223.14835	1.6
225.08966	0.8
225.12827	1.4
229.12195	4.2
230.10847	1.0
231.10071	1.5
231.13799	13.8
232.12389	1.2
233.13443	1.7
235.14850	1.3
237.12782	1.4
239.10771	1.4
241.12178	2.3
244.12300	1.0
245.13257	1.5
245.15407	2.3
247.15071	1.5
248.15718	0.9
249.16457	1.2
255.13834	2.0
259.14893	1.3
261.16412	1.4
263.14224	1.1
267.13919	1.2
273.14847	6.7
275.12790	1.7
275.17621	1.0
275.20474	1.1
279.14032	0.8
279.17331	1.1
287.14511	0.9
295.77811	0.8
305.15201	1.5
314.16763	0.9
315.17511	1.1
316.14783	1.1
317.15350	1.0
329.18887	1.0
331.16989	2.7
332.17795	0.9
333.18497	2.1
343.17041	2.5
345.18658	2.1
347.20090	1.6
349.18124	1.1
357.18521	3.3
361.18018	34.6
362.18195	2.0
363.19498	1.6
373.18030	2.3
375.19525	3.8
376.20154	1.1
377.17484	6.0
379.19095	4.1
385.18018	2.0
391.19308	5.0
392.54474	0.9
403.19089	3.5
404.19269	0.9
409.20157	7.4
417.20648	3.1
421.20068	2.2
427.21176	1.1
434.31189	0.8
435.21680	4.7
453.22668	2.3
485.06607	0.9
501.24240	1.6
502.36356	1.2
539.24261	1.7
557.25098	2.9
705.41699	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.7
55.01876	2.2
55.05509	2.8
57.03426	1.3
65.35450	0.7
67.05499	8.6
69.03422	2.2
69.07061	2.3
69.24306	2.6
69.24725	4.2
79.05486	5.9
81.03419	5.5
81.07069	7.8
83.04986	3.6
83.08638	1.1
91.05466	6.5
93.07050	7.3
95.04985	2.5
95.08642	3.4
97.02918	2.5
97.06554	1.8
97.10201	1.0
103.05482	2.4
105.03398	15.1
105.04496	1.2
105.07033	5.4
107.04986	1.8
107.08567	4.2
109.02884	1.3
109.06528	1.3
109.10184	2.2
111.04478	1.4
115.05490	1.3
117.07023	3.8
119.08592	9.1
121.06538	1.1
121.10162	4.1
123.04278	0.8
126.41402	0.7
127.03918	1.2
128.06232	0.9
129.07037	2.8
131.04948	2.2
131.08588	3.9
133.10190	3.5
135.11694	1.6
137.09601	0.8
142.07774	1.0
143.08588	2.3
145.06494	2.0
145.10135	5.8
147.08075	6.6
147.11668	1.5
149.09584	0.9
155.06113	0.7
155.08603	1.8
156.09360	1.3
157.10167	3.8
159.08090	3.2
159.11746	2.0
161.09621	3.4
163.07504	1.1
163.11179	2.4
169.10139	1.7
170.10944	1.1
171.08115	1.0
171.11670	4.2
173.09645	3.3
175.07480	1.4
175.11267	0.9
181.10309	1.0
181.12201	1.0
183.11732	5.1
185.09671	2.5
185.13318	3.1
187.11256	0.9
189.09163	1.5
197.13367	1.2
199.11217	2.3
207.11755	0.8
209.10034	0.9
209.11499	3.5
213.12807	3.0
227.12801	2.1
245.15466	1.5
255.13979	0.8
273.15039	1.3
283.15451	1.9
292.08243	0.9
315.17426	1.2
327.17548	1.0
335.25949	2.4
359.20331	1.1
369.18622	1.2
387.19733	1.3
401.21497	1.2
402.13364	0.7
419.22327	2.2
429.20544	2.6
431.18774	0.8
445.20514	1.1
447.21402	9.4
448.21780	1.0
448.50537	0.8
460.22424	0.9
461.22903	1.4
475.20908	5.2
479.24213	0.8
488.24493	1.0
543.36865	3.4
548.27716	1.3
549.27643	2.5
561.38593	1.1
575.26160	8.7
594.27301	2.5
608.29303	1.8
609.29602	7.9
625.29980	3.1
626.30042	6.0
705.41937	1.2
723.31366	100.0
724.31903	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	723.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61862	1.1
56.96566	2.8
71.95224	1.0
78.31998	1.3
84.96030	2.7
93.71006	1.2
98.97592	26.6
110.97554	10.8
116.98615	5.9
128.98615	8.2
140.98579	4.6
143.00197	9.2
143.99080	1.5
146.99680	2.5
152.98523	1.8
152.99677	1.9
158.99670	13.5
161.01222	5.4
168.00232	1.2
170.99684	14.1
177.00763	5.4
182.99635	17.1
189.00671	10.8
195.00795	1.8
201.00710	30.6
210.01248	3.1
213.00732	2.9
219.01781	22.2
231.01816	5.0
237.02864	6.0
240.02280	2.2
240.66522	1.2
243.01784	19.6
244.22305	1.1
261.02838	69.5
273.02881	5.7
278.88422	1.2
279.03906	29.3
285.03006	1.1
291.03946	9.4
302.05521	1.5
309.04730	1.4
316.37485	1.2
321.04929	27.8
333.04861	2.8
351.05954	7.2
369.44748	1.2
381.07825	100.0
382.08127	2.0
399.08093	13.3
441.09177	85.0
453.09067	2.1
472.60779	1.2
501.11813	1.6
514.10297	1.4
609.48926	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.3
55.01859	2.5
55.05515	16.7
57.03419	4.7
57.07079	2.7
62.06073	3.0
65.03931	4.4
67.05507	68.8
69.07071	17.8
71.04990	20.8
71.16579	3.4
77.03925	1.9
79.05495	69.7
81.07062	71.8
83.04989	7.4
83.08624	11.7
85.06532	4.4
87.04433	1.5
91.05485	100.0
93.07047	60.3
95.04989	8.2
95.08611	37.9
97.06532	10.0
97.10154	5.3
99.08073	3.2
103.05431	2.6
105.04534	3.0
105.07034	50.8
105.87319	1.2
106.07336	1.5
107.04945	2.5
107.07879	1.9
107.08602	33.4
109.06499	6.3
109.10152	11.5
111.08053	5.2
115.05439	4.1
117.06222	3.0
117.07022	51.0
119.08588	41.0
119.09450	1.6
121.06477	3.2
121.10147	34.3
123.08047	6.1
123.11678	3.0
125.09623	2.8
128.06204	3.2
129.07014	14.1
131.08569	51.1
132.08925	1.4
133.06453	2.1
133.10133	32.7
135.08017	5.1
135.11682	12.9
135.12590	1.9
137.09612	4.4
140.56564	1.4
141.06984	5.1
143.08568	15.6
145.10124	30.1
147.11681	17.0
149.09613	5.2
149.13234	5.3
151.11171	2.7
154.07552	1.4
155.08562	4.4
157.10120	12.7
159.11684	16.6
161.09543	2.0
161.13271	9.7
163.11174	3.4
167.08531	2.0
169.10127	5.7
171.11693	10.7
173.13226	7.0
175.11142	2.5
177.12769	3.7
181.10106	3.4
183.11685	4.9
185.13257	3.4
187.11095	1.8
187.14803	3.9
195.11745	2.1
197.13216	4.6
211.14740	1.8
213.16399	5.4
213.66321	1.3
221.13272	2.3
231.17433	3.2
237.16370	2.0
239.17949	7.7
241.19595	1.9
249.18494	2.3
255.17432	3.3
257.19028	24.5
259.20645	4.7
260.01675	1.5
261.22403	2.1
275.20090	30.1
277.21667	1.7
289.21680	2.0
295.20612	1.5
297.76657	1.3
305.20898	2.1
307.22662	2.3
313.21487	2.3
323.21991	1.6
329.20947	1.5
331.22675	19.2
333.24118	4.2
337.23483	1.4
349.23761	13.9
351.25308	4.7
363.25113	6.8
381.26346	34.9
393.26608	2.5
395.27637	2.4
401.29691	1.3
477.22049	1.6
537.23767	1.7
553.38495	1.8
579.40448	14.8
597.41302	6.3
605.42010	10.5
609.44495	1.7
611.42761	5.8
623.43207	6.4
624.28687	2.6
625.28674	6.0
629.44141	40.0
630.44427	1.5
637.44189	2.9
643.45569	3.2
655.45178	6.2
669.47388	2.6
687.48163	15.4
722.36243	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	722.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.05314	1.4
55.05513	18.6
55.95888	1.7
57.03420	7.1
57.07062	2.1
58.61955	1.8
62.37790	1.8
65.03942	4.5
66.62794	1.8
67.05510	65.2
69.07066	14.7
69.07638	1.7
69.17729	8.2
69.18163	11.0
71.04994	17.0
78.54819	1.7
79.05498	70.0
81.06585	3.8
81.07063	68.0
83.04954	6.4
83.08593	5.8
85.06536	4.7
91.05486	100.0
93.07048	57.7
95.04969	10.9
95.08615	37.5
97.06531	9.2
97.10183	2.8
103.05463	3.2
105.04471	3.3
105.07034	49.7
107.04917	4.4
107.08599	33.8
109.06503	6.5
109.10175	12.7
111.08081	5.5
115.05437	3.5
117.07033	48.2
119.08580	39.1
121.10153	35.6
123.08064	4.5
125.09605	2.1
128.06221	2.3
129.07022	14.4
131.08577	53.4
132.06166	1.8
133.10146	33.9
135.08029	3.9
135.11684	16.2
137.09563	3.8
141.06970	5.2
141.30400	1.9
143.08572	13.4
145.10129	29.2
145.11186	3.7
147.11688	14.7
149.09602	4.9
149.13228	4.1
151.11176	2.5
155.08566	5.8
157.10124	15.2
159.11719	13.7
161.09587	1.9
161.13264	7.6
163.11218	1.9
165.12759	1.8
167.08578	2.7
169.10182	4.8
171.11710	14.8
173.13280	4.1
175.14828	2.8
177.12761	2.6
183.11697	4.7
185.13283	3.6
187.14883	2.4
197.13257	3.5
211.14960	3.5
213.16423	5.6
231.17415	2.7
239.17917	7.1
255.17345	2.9
257.19049	22.0
259.20728	2.7
275.20062	28.5
286.90561	1.8
305.21130	2.9
313.21521	3.1
328.13498	2.2
331.22659	16.8
349.23849	13.4
381.26382	37.3
464.21475	2.2
579.40204	13.2
597.41046	4.7
605.41620	7.3
611.43103	4.4
623.42993	5.3
625.29126	3.2
629.44122	29.5
637.44879	3.3
643.45673	2.6
655.44983	6.0
665.29346	2.2
687.48169	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	722.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.9
55.01857	2.7
55.05513	9.7
57.03442	6.8
67.05508	10.1
67.05841	1.3
69.03403	1.5
69.07049	2.3
70.06568	0.9
70.59921	1.8
71.04967	1.9
72.08150	1.8
77.12416	0.6
79.05072	0.8
79.05496	13.5
81.03421	37.6
81.07061	13.2
83.04575	0.6
83.04990	8.1
83.08622	11.9
85.02890	1.2
91.05493	10.4
93.06499	1.2
93.07047	19.2
95.04971	11.8
95.08614	18.6
97.02900	4.5
97.06506	1.8
97.10154	1.1
98.21513	0.7
99.04461	1.2
103.05436	2.7
105.03356	0.9
105.07038	9.5
107.04973	7.1
107.08588	15.8
108.08799	0.6
109.06491	2.7
109.10130	2.2
111.04398	2.3
111.08070	4.0
115.05486	1.4
117.07026	4.8
119.04929	0.8
119.07790	1.1
119.08593	10.9
121.06507	3.9
121.10151	10.5
123.07987	1.2
125.05944	2.1
128.06219	0.8
129.07039	4.6
131.04941	4.7
131.08568	4.8
132.05238	1.5
133.06444	2.2
133.10135	3.7
135.08067	1.2
135.10701	1.3
135.11696	25.1
137.09616	1.4
139.07550	1.0
142.07761	1.4
143.08536	1.9
145.06505	0.7
145.09067	0.8
145.10139	15.2
146.10449	0.7
147.08035	2.4
147.11731	3.9
149.05952	0.6
149.09637	2.2
153.12735	1.0
157.10124	5.8
159.07982	0.9
161.05997	0.9
161.09673	0.7
163.11188	38.0
165.09116	0.7
171.11632	2.1
173.09579	1.5
175.11163	4.6
181.12265	7.6
183.11667	1.8
185.09416	0.7
185.13277	1.2
187.11209	0.8
193.12274	10.8
195.11650	1.1
199.11153	0.8
207.11740	0.9
209.11710	1.5
211.13263	1.6
213.12709	1.8
214.13206	1.2
220.12190	0.8
221.13309	0.9
227.12787	40.3
229.14311	0.9
243.13817	0.9
245.15236	0.7
261.54898	0.8
262.16537	0.7
267.15927	90.2
268.16223	1.5
283.15408	61.3
284.15683	1.2
356.59293	0.8
383.22015	0.8
392.19519	0.8
434.20535	1.2
452.21500	1.5
470.22595	1.0
472.24353	1.0
475.26944	100.0
476.27130	3.4
484.23944	0.8
493.27646	1.6
517.27570	1.6
530.24524	0.9
643.30780	0.7
653.99115	0.6
688.67926	0.6
722.31476	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80123	3.6
53.03949	8.4
55.01857	9.2
55.05514	59.5
56.58730	3.9
57.03414	8.8
66.12184	4.1
67.05501	30.9
69.03432	8.4
69.07063	8.2
70.06593	40.6
70.60311	8.4
70.60658	5.5
71.04989	7.6
72.08153	47.0
73.02901	4.0
77.50454	3.7
79.05504	23.5
80.07673	3.5
81.03419	21.9
81.07065	30.9
83.04980	100.0
85.02904	7.5
85.06520	5.0
88.07635	5.3
91.05482	35.9
93.07058	26.5
95.04951	27.5
95.08593	16.7
97.02873	6.7
97.06544	7.5
98.21403	4.4
103.05464	22.7
104.05777	4.7
105.03375	16.3
105.04578	4.5
105.07019	37.9
107.04968	12.5
107.08613	20.5
109.02931	6.6
109.06509	13.7
109.10148	17.8
115.05477	14.9
116.06273	5.0
116.07077	56.2
117.07019	34.7
119.08576	44.5
119.22508	4.6
121.06510	10.1
121.09290	3.5
121.10150	12.7
123.08040	7.5
127.03989	6.5
128.06252	7.2
129.07013	18.0
131.04936	40.2
131.08585	30.1
132.05270	12.7
133.06500	18.1
133.10109	26.2
135.08057	11.8
135.11649	6.7
141.07002	6.6
142.07767	6.4
143.08563	24.4
145.06482	37.7
145.10097	24.1
147.08052	16.2
147.11653	10.0
149.09621	13.4
154.07883	4.8
155.08594	10.2
156.09361	15.2
157.10115	32.9
159.08046	30.4
159.11671	19.6
161.05994	18.1
161.09656	20.5
163.07585	13.4
163.11192	13.6
165.06958	4.2
166.07762	4.2
167.08562	8.5
167.51134	4.0
168.09338	6.4
169.10176	22.4
170.10880	12.7
171.08052	13.7
171.11671	56.0
172.08862	4.6
173.05995	12.2
173.09601	24.6
173.13263	5.6
175.07555	8.0
175.11165	7.8
176.08041	4.8
177.09096	13.9
179.08517	6.9
181.10097	5.2
182.10997	5.3
183.08080	5.5
183.11719	36.0
184.08929	5.1
184.12047	4.5
185.09607	13.9
185.13269	50.4
187.11186	18.8
189.09050	10.1
191.10707	6.5
193.12213	4.6
195.11707	15.4
197.09802	9.6
197.13231	12.3
198.10463	4.3
199.11234	21.4
201.12753	9.0
203.14212	5.3
207.11746	9.8
209.09608	6.0
209.13245	6.3
211.11209	12.5
213.12764	46.8
214.13091	5.2
217.12219	7.8
219.11783	9.8
221.13269	9.6
222.10393	4.5
223.11256	9.3
225.12813	4.3
227.10715	5.7
229.10201	6.8
229.12209	9.5
229.14223	5.9
230.10950	5.4
231.11821	6.3
231.13789	11.1
233.09610	7.0
235.11320	5.6
235.14761	5.4
239.08543	5.4
239.10803	5.8
241.12366	7.2
243.11691	7.5
243.13847	12.1
245.13359	7.8
245.15327	22.3
247.11214	6.3
249.12762	5.6
255.13756	6.7
257.13348	7.3
259.10843	4.3
259.15054	7.8
261.12637	6.6
263.16565	4.3
267.16019	12.1
269.13251	11.5
271.10913	5.4
271.14972	6.1
273.14777	21.2
283.15308	9.2
285.12741	10.5
285.16577	5.4
287.14255	8.2
299.14142	11.6
300.15192	6.1
301.15662	6.1
303.13696	5.9
313.15823	7.3
314.16559	4.3
315.17401	13.4
329.15359	5.4
329.18994	9.1
331.17044	5.7
333.18515	4.6
339.17590	6.2
343.16928	17.0
345.18417	5.0
357.18536	17.3
361.17719	8.8
375.19519	14.2
385.17911	17.6
389.21109	9.4
403.19031	26.2
405.20685	13.8
407.22089	5.3
417.20709	33.6
421.20010	16.4
435.21634	52.0
435.27325	11.7
453.22797	23.8
461.29169	29.7
467.25485	5.1
475.26968	20.7
477.22406	8.3
493.27908	4.8
495.23981	26.4
496.23993	6.0
513.24670	16.7
577.27802	5.1
581.27417	9.7
595.28870	47.9
609.30347	10.1
613.30377	11.8
627.31586	25.7
722.33350	15.7
723.31042	4.7
733.26794	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	722.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01866	5.5
55.05513	78.0
57.03434	6.6
67.05486	11.4
69.03422	3.0
69.07034	3.2
70.06583	3.2
71.05003	3.2
79.05115	2.4
79.05493	21.3
81.03426	34.9
81.07066	19.6
83.01331	3.9
83.04984	100.0
83.08610	10.4
85.02894	2.9
88.85171	2.2
91.05482	23.8
92.13976	2.7
93.07049	19.8
95.04983	17.0
95.08612	12.4
97.02895	5.0
97.06514	5.0
97.10155	6.3
103.05460	6.2
105.03394	3.7
105.07034	22.0
107.04958	9.2
107.08589	8.9
109.06495	10.7
109.10157	5.0
111.04456	5.3
115.05429	4.9
117.07031	13.5
119.04929	2.9
119.08582	26.8
121.06505	7.1
121.10117	9.9
123.08046	6.3
125.09650	5.4
128.06200	7.6
129.07014	7.5
131.04906	9.5
131.08545	14.5
133.06496	11.9
133.10139	15.6
135.08006	7.1
135.11642	4.3
136.26561	2.5
141.06940	4.4
142.07768	5.9
143.08632	14.1
145.06497	15.7
145.10143	20.1
147.08038	8.8
149.09601	7.3
153.07025	3.9
155.08522	7.5
156.09293	7.8
157.10144	19.8
159.08078	12.0
159.11676	5.2
161.05963	8.5
161.09639	12.2
163.07564	5.9
163.11176	12.3
165.06952	2.7
169.10129	17.6
170.10846	7.9
171.08054	10.2
171.11684	33.5
172.12155	3.0
173.05977	9.4
173.09566	10.5
175.07593	5.6
175.11197	7.5
177.09053	6.7
179.07019	3.3
181.10091	7.0
182.10657	3.0
183.07948	6.1
183.11664	29.2
184.12325	2.7
185.09592	8.0
185.13290	26.8
187.11212	6.0
189.09109	4.6
191.10690	3.7
193.12241	5.0
194.10918	2.9
195.11684	7.9
197.09615	6.9
197.13210	7.7
198.10355	5.8
199.11221	12.6
201.12689	6.3
205.12247	3.7
207.11646	6.9
209.09625	6.8
209.11580	3.8
211.11206	10.8
213.09123	4.2
213.12730	28.2
214.13017	7.2
215.10736	5.3
221.13170	6.3
223.11218	5.3
229.12181	4.6
231.13811	5.8
232.12451	3.3
233.13295	4.3
243.13850	6.6
244.12250	2.9
245.13281	4.6
245.15308	14.0
246.13780	3.6
247.11182	3.1
247.14905	4.1
248.15346	3.1
255.13811	5.3
261.16299	4.0
263.14456	2.9
267.15976	16.6
273.14655	16.1
275.17822	2.7
281.13266	2.8
282.14172	3.2
283.15317	17.3
285.12805	3.6
285.16452	5.4
287.14197	4.3
289.14734	2.6
297.12881	3.2
299.14310	3.7
301.12329	3.2
301.15585	4.4
303.17453	3.4
313.16019	5.9
315.17227	5.4
325.15540	3.4
329.18671	5.0
331.16919	5.4
333.18716	3.7
335.20203	3.0
343.16772	6.0
353.21088	5.7
357.18512	7.0
365.21277	4.6
373.17789	3.1
375.19543	4.3
383.21976	9.7
385.17868	6.8
401.22998	3.3
403.18933	10.1
405.20453	8.2
410.20773	3.1
417.20636	17.6
426.20291	4.1
435.21759	20.5
439.24478	3.4
444.21753	4.3
452.21509	6.3
457.25867	18.5
470.22751	3.9
475.26935	83.0
476.27563	5.2
477.22464	4.4
493.27844	11.1
495.23636	5.1
504.23462	2.8
512.22937	3.1
513.25153	3.2
530.24585	5.5
537.25043	3.4
555.26178	4.7
562.25494	2.9
622.29932	5.8
637.29968	12.1
651.31537	7.6
669.33124	13.2
704.34210	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	722.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32414	1.3
53.03939	5.0
54.33489	1.5
55.01865	4.0
55.05511	3.8
56.20457	1.5
57.54813	1.5
67.05511	2.9
69.03417	6.2
69.07066	3.6
69.18962	6.7
69.19381	9.8
79.05475	6.5
81.03441	3.2
81.07059	9.3
83.04974	2.6
83.08614	2.6
85.02899	3.6
91.05493	9.7
93.07037	6.4
93.07571	1.4
95.04947	6.2
95.08615	10.5
97.02855	2.6
97.06558	1.7
100.07652	1.8
100.11272	3.0
103.05473	42.6
104.05791	2.6
105.03397	2.5
105.07056	9.5
107.04926	2.6
107.08584	7.1
109.02891	3.4
109.06515	3.6
115.05499	3.1
117.06992	4.0
119.08605	11.2
121.10169	2.0
127.03898	3.0
128.06215	2.9
129.06984	4.6
131.04939	100.0
131.08591	7.7
132.05257	6.1
133.06500	4.3
133.10158	10.9
135.08047	3.1
142.07785	3.7
143.08557	10.4
145.06471	5.2
145.10127	7.1
147.08046	6.6
147.11716	2.0
149.09647	2.0
153.06998	2.0
155.08533	2.6
156.09337	4.9
157.10170	13.8
159.08047	5.7
159.11678	4.9
161.05969	5.1
161.09607	5.1
163.07570	7.7
163.11153	2.9
167.08519	1.8
169.10095	11.4
170.10896	5.4
171.08046	7.3
171.11702	19.9
172.12189	1.9
173.09714	7.9
173.13220	3.9
175.07596	2.4
179.07068	1.7
179.08568	2.1
180.09222	1.5
181.10197	3.3
183.08098	2.0
183.11700	22.8
185.09627	5.7
185.13284	17.6
187.11194	5.4
189.05576	2.0
193.10133	4.6
195.11700	6.7
197.09657	4.2
197.13254	6.4
198.10292	1.8
199.07553	1.6
199.11217	8.6
201.09404	1.5
201.12697	3.4
203.10605	2.3
205.07062	3.7
205.10254	2.0
205.12140	2.4
206.10968	1.7
207.11626	4.7
209.09528	2.3
209.13237	6.5
211.11168	6.6
213.09116	4.5
213.12721	30.9
217.08394	1.9
218.10817	1.7
219.11719	2.3
220.12549	3.1
221.13251	5.2
223.11212	3.6
223.14844	3.0
225.09106	2.4
225.12685	2.0
226.09337	2.1
227.10759	1.9
229.08488	2.0
229.12294	3.5
231.09978	1.9
231.13824	2.5
233.13257	4.8
235.11125	1.6
235.14804	3.2
237.12718	2.0
237.16353	2.6
239.14276	2.1
241.12248	5.0
243.13852	5.4
245.13416	2.4
245.15427	10.3
246.14020	3.1
247.14857	3.9
248.15526	1.7
249.16454	5.2
251.17873	6.1
255.13821	3.1
257.11517	2.0
259.14932	2.0
260.15445	3.6
261.12714	1.9
261.16489	7.2
265.19620	2.7
273.14865	20.8
275.17932	6.2
279.17380	3.4
293.19019	4.1
303.17368	1.7
315.17572	2.9
321.18457	3.2
323.19940	2.1
325.21652	6.1
333.18500	2.2
335.20074	4.6
339.19595	2.1
341.21060	3.8
343.16776	2.3
345.18210	2.0
353.21140	14.2
357.18436	3.6
358.14743	1.9
361.17978	3.9
371.22150	6.8
375.19461	7.2
385.18106	3.1
403.19025	5.3
407.22345	2.7
417.20486	5.1
421.19971	1.8
426.79770	1.5
435.21701	14.3
453.22748	3.4
463.17459	1.8
464.18030	2.0
521.25531	4.0
662.26776	2.1
669.30200	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	722.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.0
53.03943	4.1
55.01881	1.4
55.05515	5.0
57.03429	1.2
57.57687	1.3
65.29613	1.5
67.05500	6.8
67.30076	1.3
68.82550	1.2
69.03431	2.1
69.07063	3.9
71.04992	4.9
72.35202	1.3
76.99902	1.5
77.03976	1.6
79.05497	11.6
81.03414	4.5
81.07053	16.5
82.53194	1.4
83.04987	5.1
85.02916	1.7
91.05498	14.7
93.07052	13.5
95.04967	10.1
95.08591	11.0
99.04434	3.3
103.05473	47.3
103.06151	2.9
105.03403	2.3
105.07040	17.7
107.04966	4.9
107.08594	10.6
109.06537	6.5
109.10157	4.0
111.04459	1.6
111.08083	1.7
114.79512	1.5
115.05479	4.3
117.07065	8.8
119.04977	1.8
119.08593	21.9
121.06518	4.5
121.10103	8.0
123.08099	4.5
128.06261	5.0
129.07010	8.0
131.04935	100.0
131.08571	11.5
132.05292	5.2
133.06512	2.8
133.10132	19.0
135.08086	6.8
137.05972	1.7
141.07030	4.9
142.07774	8.2
143.08588	14.9
144.22400	1.5
145.06490	4.8
145.10149	14.0
147.08064	9.5
147.11717	3.6
149.09633	4.8
153.07004	1.8
154.07722	1.6
155.08569	6.8
156.09384	8.7
157.10146	26.5
158.10880	2.0
159.08064	5.2
159.11687	9.7
161.05965	3.6
161.09641	9.0
163.07544	2.1
163.11261	2.1
165.07066	3.7
167.08537	4.3
168.09349	2.9
169.10118	16.2
170.10948	3.8
171.08067	6.7
171.11711	18.3
172.12053	1.7
173.09679	7.4
173.13306	4.4
175.07584	1.7
175.11328	2.9
177.09195	2.5
179.08594	4.5
180.09338	1.8
181.10158	6.4
182.07225	2.2
182.10941	2.6
183.08067	3.7
183.11717	20.3
185.09674	8.0
185.13280	8.5
187.07538	3.5
187.11182	4.6
187.14870	3.5
189.09103	2.3
189.12704	2.4
192.09348	4.5
193.10176	5.9
194.10950	3.0
195.08165	3.1
195.11693	15.2
196.08827	2.7
197.09654	3.9
197.13260	11.1
198.10335	2.0
199.11185	13.3
200.11937	3.6
201.09116	3.6
201.12813	2.6
205.10246	2.6
206.10902	4.7
207.11679	13.7
208.12450	4.1
209.09587	2.4
209.13281	6.2
210.10349	2.7
211.11221	8.3
213.12750	12.0
215.08531	2.6
215.14313	5.3
217.10284	2.7
217.12181	1.9
218.10916	2.7
219.11694	6.4
220.12512	4.2
221.13208	8.4
222.13971	1.9
223.11342	3.2
223.14810	3.3
225.12772	5.9
227.10735	2.2
229.12271	5.0
230.10811	2.9
231.11713	7.4
231.13687	2.8
232.12480	4.7
233.13293	8.3
234.10362	2.5
234.13893	3.5
235.11237	2.9
235.14877	5.5
236.11948	1.7
236.15750	1.7
237.12758	3.5
237.16446	2.4
239.10545	2.3
239.14307	2.1
241.12256	2.6
242.10609	1.8
243.11659	2.4
243.13826	5.0
244.12392	2.9
245.13269	6.3
245.15450	2.0
246.13995	3.1
247.14757	11.6
248.11723	1.9
248.15437	3.2
249.12778	4.6
249.16479	4.1
250.13547	2.3
251.14301	3.2
251.18095	2.1
256.12665	2.8
257.13223	5.0
258.13943	4.3
259.14877	4.0
260.11771	1.9
260.15680	3.4
261.12872	3.4
261.16336	3.6
262.17001	2.0
263.10547	1.7
263.14310	4.8
263.17883	2.2
264.15106	1.7
265.15955	3.6
265.19504	1.8
271.14975	2.3
272.15662	4.7
273.12750	1.9
273.16446	2.9
275.14508	3.1
275.17975	10.9
277.16656	1.6
277.19547	10.7
279.17407	2.7
281.18930	2.4
287.15048	1.9
287.17972	9.9
289.15970	2.5
291.17303	2.5
293.18948	6.4
295.20526	4.7
299.14423	2.6
305.18930	23.0
315.17493	2.5
323.20120	25.1
329.15347	2.1
341.21252	4.2
345.14954	2.0
357.18478	7.6
359.20074	6.5
361.18140	2.3
369.18561	6.4
375.19574	4.8
387.19516	22.1
405.20627	21.7
421.23825	3.5
423.21848	8.2
439.24771	6.1
457.26273	2.8
461.29065	2.6
467.20703	2.1
468.20773	5.6
521.25299	4.2
539.26147	4.4
587.29504	3.4
605.31207	1.9
663.27985	7.6
669.30072	2.8
722.32184	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	721.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.9
55.01876	8.0
55.05518	22.4
57.03436	12.4
57.07069	2.7
59.05011	4.0
61.02916	7.8
63.74929	2.5
65.03937	3.0
67.05508	34.6
69.03439	36.1
69.07069	17.5
69.18335	24.5
71.01340	2.9
71.04998	11.7
73.02937	2.9
73.06564	2.6
77.03923	5.3
79.05495	34.8
80.30260	2.8
81.03426	27.3
81.07059	50.3
83.04991	14.0
83.08614	7.9
83.29996	2.8
85.02911	61.1
85.06564	7.3
87.04471	7.6
87.34332	2.7
91.05494	42.4
93.07050	60.6
95.04965	19.3
95.08607	57.0
97.02888	24.3
97.06532	44.9
97.10173	4.7
98.06018	3.7
99.04478	6.0
99.08092	5.0
100.27580	2.8
103.05470	44.1
105.03368	6.8
105.04504	4.5
105.07040	57.3
107.04914	7.1
107.08603	51.8
109.02872	12.0
109.06503	10.0
109.10168	29.0
111.08083	48.7
113.09689	3.1
115.05427	3.8
117.07034	17.5
119.04951	2.5
119.08591	54.1
121.06539	12.2
121.10152	36.7
123.08097	21.1
123.11726	7.0
125.09657	13.8
127.03925	15.6
128.06206	4.3
129.07005	17.1
131.04933	100.0
131.08580	37.2
133.06471	14.8
133.10143	38.5
135.08069	14.5
135.11732	13.9
137.09627	15.2
139.07552	43.7
139.11192	5.9
141.07028	5.7
142.07800	11.1
143.08557	35.2
144.09343	5.4
145.04988	6.3
145.06564	4.2
145.10138	56.0
147.08104	9.3
147.11726	32.3
148.12025	3.5
148.45367	2.6
149.09625	11.1
149.13284	16.7
151.07541	3.6
151.11234	4.5
153.07042	3.4
153.09090	5.9
154.07928	3.6
155.08536	18.8
156.09358	11.6
157.10126	45.4
158.07230	4.1
159.08072	11.6
159.11697	61.8
161.05965	16.8
161.09688	16.2
161.13261	25.4
163.11205	13.2
163.14864	6.3
165.07034	4.6
165.09038	3.8
165.12785	3.7
167.08548	6.4
168.09341	4.4
169.10129	28.8
170.10927	5.4
171.08115	5.6
171.11694	43.1
173.09615	9.1
173.13255	31.0
175.07466	3.0
175.11217	17.6
175.14871	12.8
177.09055	3.4
177.12769	12.5
179.07007	3.8
179.08600	3.4
179.10620	3.4
180.09274	4.8
181.10139	12.2
182.10826	6.0
183.08122	5.2
183.11694	44.1
184.08875	2.8
185.09631	8.1
185.13268	50.6
186.13797	3.5
187.07501	2.7
187.11208	12.7
187.14787	21.7
189.12772	11.9
189.16287	3.1
191.14374	7.5
193.10172	7.2
193.12270	7.6
195.11716	18.4
195.13364	3.9
196.12590	4.2
197.09645	5.5
197.13258	28.3
199.07510	3.0
199.11156	10.9
199.14809	24.5
201.12811	12.5
201.16383	17.5
203.14365	8.3
204.89255	2.7
205.07047	3.0
205.15906	5.4
207.11723	10.1
207.13692	4.3
208.12430	3.7
209.09631	2.9
209.13286	21.3
210.13979	5.0
211.11340	3.3
211.14856	21.0
213.09036	4.7
213.12755	9.4
213.16315	16.6
215.14293	14.2
215.17937	7.2
217.15817	13.0
219.11832	4.7
221.13257	7.9
222.13887	4.2
223.11240	3.7
223.14859	26.3
225.09138	12.4
225.16391	32.1
227.10638	3.6
227.14340	7.3
227.18005	19.1
229.08495	3.7
229.12326	3.2
229.15916	10.3
229.19519	3.6
231.17474	8.7
233.13362	5.4
234.14192	3.1
235.14861	11.5
236.15588	3.3
236.25832	2.8
237.08980	3.1
237.16383	15.1
239.18007	16.1
241.08633	5.5
241.15941	6.4
241.19588	6.2
243.17520	28.1
245.13351	3.0
247.09676	3.7
249.16380	11.0
251.17929	13.8
253.19511	8.2
255.17470	7.0
257.08142	6.6
261.18539	11.4
263.17953	7.8
265.19543	15.8
269.19046	4.4
271.20575	3.5
273.18491	4.0
277.19324	4.8
281.19296	4.8
281.22293	3.9
282.17883	3.4
283.20551	12.5
285.11298	3.4
291.21124	7.1
293.19318	4.8
293.22626	15.6
295.20731	6.6
297.22177	5.9
299.20358	3.5
299.23706	4.9
305.22748	7.4
307.20572	5.5
309.22125	21.8
311.23654	30.0
313.21368	2.7
319.24124	6.4
323.23770	10.6
325.21518	5.1
325.25177	3.8
327.23303	21.6
329.15146	3.6
329.21307	4.9
329.24792	36.7
335.23846	5.2
337.25214	24.7
347.23904	4.7
349.25299	27.4
355.26425	25.8
363.26892	4.8
365.24738	11.5
367.26312	57.6
369.27942	4.6
381.27948	6.9
383.25864	8.7
385.27374	44.7
391.30191	3.8
394.21503	4.1
395.25641	6.3
397.27338	7.8
403.29926	10.8
409.31268	14.8
413.26920	7.9
415.28403	4.3
421.31091	27.2
427.28458	10.5
431.29532	7.3
437.30460	6.7
439.32135	18.1
449.15933	3.4
449.30624	34.9
463.17542	8.3
463.99503	3.0
467.20407	8.9
467.31610	36.4
469.32745	3.2
473.29221	6.6
474.29376	22.0
481.33502	5.4
485.32669	85.9
537.21143	5.6
541.35278	4.5
555.22131	10.6
559.36188	3.9
575.32184	42.7
629.36829	21.5
643.38611	5.8
661.39496	20.4
721.31555	33.3
721.42096	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	721.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84226	0.6
53.03947	2.5
55.01871	1.5
55.05514	4.2
57.03434	2.3
59.05009	1.5
61.02925	4.5
67.05510	2.4
69.03432	37.9
69.07073	1.7
71.04991	2.6
79.05505	2.7
81.03422	14.0
81.07056	4.0
83.01360	1.3
83.04990	5.1
83.08585	0.9
85.02908	78.5
87.04454	0.6
91.05483	2.5
93.07052	3.8
95.04980	1.8
95.08625	3.5
97.02892	30.4
97.06538	1.3
98.21492	1.5
99.04453	11.3
101.02385	0.7
103.05473	1.3
105.03417	1.0
105.07055	3.8
107.04970	0.9
107.08604	3.9
109.02884	100.0
109.06518	1.3
109.10188	1.9
111.08093	1.3
115.03937	1.8
115.05444	0.8
117.06995	1.3
119.08606	4.4
121.06489	1.4
121.10148	2.7
123.08077	1.5
125.09501	0.7
127.03921	78.2
128.04320	0.8
129.06998	0.8
131.04930	3.4
131.08585	2.6
133.06500	0.9
133.10133	2.4
135.08090	1.2
135.11668	1.0
137.09619	1.1
139.03908	6.7
139.07539	1.8
142.07817	0.8
143.08533	3.1
145.04967	17.5
145.10081	3.8
147.08073	1.4
147.11694	2.0
149.09674	1.1
149.13261	1.4
155.08595	0.7
156.09352	0.9
157.10159	3.5
159.08038	0.9
159.11710	4.2
161.09573	1.2
161.13300	1.1
163.11237	0.7
167.08470	0.6
169.04974	17.3
169.10124	3.3
170.10828	1.3
171.11697	5.2
173.09668	1.6
173.13277	1.9
175.07646	0.7
175.11174	1.6
181.10175	1.3
183.11694	5.5
185.09634	0.9
185.13203	3.8
187.06024	22.6
187.14876	1.5
193.10098	0.6
193.12151	1.0
195.11671	1.9
197.13213	3.7
199.14871	1.4
201.12712	1.3
201.16414	0.7
205.07082	97.8
206.07469	0.9
207.11754	0.9
209.13358	1.2
211.11089	0.8
211.14861	1.2
213.12802	2.9
213.16429	1.6
215.14259	1.0
215.17993	0.8
217.15910	0.7
221.13243	0.8
223.11052	0.6
223.14839	1.2
225.16367	1.3
229.15936	0.6
233.13307	1.0
235.14810	0.9
243.13849	1.2
243.17345	1.2
245.15480	1.3
251.17796	1.0
261.18637	0.8
293.22778	0.7
309.22253	1.4
323.23712	1.1
337.25455	0.8
349.18304	0.7
349.25006	1.3
355.26172	1.5
367.26331	3.2
375.19595	0.6
377.17535	1.2
385.27286	1.8
391.19388	1.1
395.25745	1.1
409.19864	1.3
421.30862	1.3
437.19666	1.0
439.31952	0.9
449.30670	1.0
451.21039	0.9
467.31381	1.5
469.22107	1.0
485.32574	2.4
499.33838	1.2
609.31311	0.7
617.32892	4.0
621.37579	0.7
661.38843	1.1
698.53455	0.7
703.32825	0.8
703.40906	4.9
721.31750	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.5
57.03449	0.6
67.05526	3.2
67.89236	0.5
69.07065	1.3
71.05003	0.6
79.05490	2.1
81.03423	1.2
81.07066	3.1
82.93724	0.5
83.05020	0.6
85.02900	0.5
91.05494	3.2
93.07064	2.5
95.04975	0.7
95.08627	1.7
97.06550	0.5
97.10207	0.5
97.68935	0.5
101.07236	0.5
103.05470	1.5
103.74327	0.5
105.07043	1.1
107.04989	0.6
107.08599	1.7
109.06572	0.7
109.10174	1.0
117.07037	0.8
119.08617	1.3
121.06532	0.4
121.10211	1.0
124.42072	0.5
129.07004	1.1
131.04968	1.4
131.08611	1.3
133.06557	0.5
133.10127	1.1
135.11751	0.7
137.90259	0.4
143.08673	0.7
143.26944	0.4
145.10120	0.7
147.08057	0.7
147.11714	0.6
157.10141	0.8
159.11765	1.2
171.11801	1.1
173.04597	0.5
185.13214	0.5
193.05043	0.5
211.21762	0.4
235.12206	0.4
237.14034	0.5
289.74100	0.5
335.26059	0.5
341.44522	0.4
349.94656	0.5
377.17654	0.5
378.18671	0.7
389.17523	0.9
390.19003	0.6
391.19366	1.0
392.20111	0.7
393.20822	0.6
403.19330	1.5
404.19962	0.7
405.20831	1.8
406.21829	1.2
407.22342	6.2
417.20795	1.8
418.21887	1.0
419.22476	4.9
420.23581	0.8
421.24469	3.1
422.24939	0.8
431.18256	5.6
432.19028	1.1
433.24182	11.4
434.17374	0.6
434.24799	2.3
435.21664	3.5
436.22458	0.6
445.19913	7.0
446.21008	3.8
447.21896	12.6
447.27695	0.7
448.18631	0.8
449.19266	8.9
452.22134	0.6
459.21692	8.5
460.22668	11.5
461.23691	10.3
462.24896	2.5
463.21280	20.0
464.22162	1.5
465.22705	2.8
473.23773	3.6
474.24185	1.8
476.22330	1.5
477.23077	4.9
478.23431	1.0
487.24988	1.4
489.22650	1.4
490.23407	0.6
491.24655	1.7
492.25024	0.7
493.26321	1.4
501.22733	0.7
505.21652	3.9
506.23352	1.4
517.22009	0.8
519.23474	3.4
520.22498	1.4
532.24646	0.9
533.25183	0.9
535.23688	1.5
547.27081	32.1
548.28082	3.0
549.25403	2.2
550.25751	2.8
551.26727	1.2
564.27325	4.1
565.28400	0.9
575.26532	1.3
577.24445	3.3
578.24915	0.9
579.30078	0.6
591.26086	1.3
592.26855	34.0
593.27112	1.8
606.28424	11.1
607.29175	100.0
608.29700	4.1
609.27124	4.8
623.28662	6.5
624.29474	75.6
625.29645	3.0
685.39166	0.7
703.40424	1.0
721.35718	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	721.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.3
55.01871	7.2
55.05514	72.6
64.48621	5.2
67.05513	20.7
69.07069	7.4
70.79556	7.0
70.79868	6.0
79.05494	26.7
81.03429	9.7
81.07047	31.2
83.04983	100.0
86.06091	5.4
91.05504	34.0
93.07052	34.0
95.04976	17.0
95.08616	29.9
97.02930	5.7
97.06492	6.5
98.06069	15.5
103.02181	14.5
103.05479	42.3
105.03381	12.5
105.07051	45.4
107.04971	10.4
107.08581	18.9
109.06544	12.4
109.10159	7.0
115.05478	5.2
117.07028	21.8
119.04927	8.2
119.08605	57.4
121.06543	8.3
121.10152	10.5
123.08015	6.4
127.07587	5.4
128.06216	10.8
129.07013	17.0
130.07854	6.4
131.04927	59.4
131.08598	32.1
133.06534	20.0
133.10133	35.1
135.08090	8.7
137.06038	5.8
141.06996	10.6
142.07840	8.4
143.08577	29.2
145.06516	14.3
145.10097	29.7
147.08043	23.0
147.11710	9.1
147.73128	5.1
148.08650	5.3
149.09622	13.5
155.08549	14.9
156.09361	16.0
157.10123	45.5
159.08081	19.5
159.11674	15.2
161.05994	13.7
161.09645	16.0
161.13330	5.1
163.11183	11.9
165.07040	6.1
167.08682	8.3
168.09344	7.8
169.10121	38.1
170.10902	16.3
171.08072	10.1
171.11697	64.5
172.11981	5.4
173.05951	5.8
173.09680	34.3
175.07538	8.7
177.05450	7.2
179.07173	5.4
179.08586	8.7
180.09358	6.3
181.10150	14.7
181.45464	4.6
183.08090	8.8
183.11693	72.0
184.08876	6.1
185.09668	14.8
185.13272	58.9
187.07495	6.0
187.11229	15.3
188.10649	6.6
189.09131	5.3
193.10172	12.9
194.10902	6.2
195.08185	9.8
195.11728	21.1
197.09663	18.2
197.13284	16.6
199.07619	10.2
199.11148	28.7
201.09140	6.3
201.12785	15.7
203.08691	7.5
205.10338	6.5
205.12251	9.4
207.11714	16.3
207.13530	5.1
209.09691	11.4
209.13310	18.0
211.11261	18.0
211.14888	6.2
213.09370	5.6
213.12772	44.1
215.10732	6.7
216.09511	6.4
217.10252	6.8
217.12201	7.3
219.11736	14.4
220.12447	9.7
221.13414	23.0
223.11223	13.0
223.14789	7.2
225.12747	9.0
227.10555	6.8
229.10211	7.3
229.12263	14.0
230.11017	6.6
231.11708	11.9
231.13805	11.5
232.12451	6.7
233.13260	17.6
234.13922	7.6
235.14905	16.6
236.11717	5.7
237.12766	9.0
237.16391	9.0
241.12325	15.2
243.13841	19.7
244.12494	12.3
245.13222	12.3
245.15424	34.5
246.13994	13.8
247.11253	8.7
247.14816	20.8
248.15472	5.7
249.12756	6.9
249.16460	12.6
250.41026	5.3
251.14326	6.3
251.18022	7.5
256.12485	6.2
257.13419	11.5
257.15652	6.7
258.13962	7.4
259.11053	6.8
259.14877	18.0
260.11954	6.6
260.15433	14.5
261.12726	12.8
261.16522	27.6
262.13510	8.3
263.14282	8.1
263.17969	8.0
265.15924	6.8
267.15845	11.5
269.13269	6.6
271.14743	6.2
273.12418	8.3
273.14938	9.0
274.13461	6.0
275.14221	4.5
275.17917	14.6
279.17578	6.4
284.15662	7.5
285.16479	5.7
287.14316	10.1
287.17923	7.0
288.15326	4.5
289.15842	11.0
291.17441	13.7
293.15475	4.7
293.18903	10.4
299.14160	8.0
301.15906	11.5
301.19168	6.1
303.13965	7.7
303.17447	22.0
305.18671	6.2
315.13538	4.7
317.18872	5.7
321.18475	17.3
323.19968	7.6
325.21564	7.7
327.17331	7.3
329.15182	6.5
331.16779	10.9
335.20123	14.8
337.17676	5.1
343.16974	7.1
345.18542	18.1
349.17960	17.1
351.19431	8.5
353.21008	16.1
355.16763	11.7
359.16309	8.7
359.20288	5.8
363.19733	9.3
371.16531	5.7
373.18143	11.1
381.20648	12.1
387.19556	7.1
391.18930	18.5
396.78973	5.1
397.20554	6.5
405.20425	17.5
409.20059	17.3
419.18332	8.0
421.20239	7.1
423.21652	13.2
427.21124	9.6
433.19983	18.6
437.19638	7.8
441.22845	8.3
451.21201	26.3
465.21289	5.7
469.22357	25.1
470.23123	5.4
475.26935	6.4
483.23865	31.7
501.24747	23.3
511.23099	10.8
529.24152	21.4
538.28223	7.6
541.34894	5.6
543.24158	5.8
629.72455	5.4
672.30658	9.7
686.32861	7.3
703.21820	9.3
704.33716	23.3
721.22290	12.0
721.33984	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	721.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
55.05267	4.2
55.05516	61.6
55.59815	2.7
65.03935	3.0
65.78647	2.7
67.05499	9.9
69.03434	8.0
69.07059	9.2
69.49390	8.2
69.49819	14.2
71.01352	2.9
71.11922	3.0
79.05502	16.4
81.03419	5.8
81.07064	17.8
83.04990	100.0
83.08601	2.9
85.02895	10.4
91.05483	24.6
93.07066	24.2
95.04980	7.4
95.08630	18.6
97.02911	2.8
97.06526	4.2
101.00616	3.9
103.05493	8.5
105.03431	3.0
105.07018	22.1
106.68439	2.7
107.04991	5.2
107.08618	13.9
109.06520	8.6
109.10187	5.5
115.05439	6.9
117.07007	14.6
119.04961	6.6
119.08582	30.3
121.06506	9.5
121.10149	8.1
121.67032	2.7
123.08082	6.4
128.06241	4.7
129.07022	8.3
131.04933	11.9
131.08580	17.8
133.06497	6.7
133.10135	23.9
135.08022	9.1
137.06026	5.9
141.06998	6.2
142.07788	9.1
143.08556	21.6
145.06496	15.4
145.10129	22.1
147.04462	3.2
147.08116	13.6
149.06053	4.9
149.09628	11.3
151.07530	5.5
155.08580	10.7
156.09366	15.6
157.06564	3.9
157.10139	37.2
159.08081	14.6
159.11708	10.1
161.05988	11.4
161.09630	14.2
163.07579	7.8
163.11214	5.8
165.07037	4.9
165.09128	3.5
167.08568	4.0
168.09262	2.7
169.10152	22.8
170.10895	13.1
171.06645	6.9
171.08055	15.7
171.11714	52.3
173.05923	3.8
173.09645	23.4
173.13237	3.2
175.07524	9.5
175.11191	4.0
179.08534	3.4
180.09277	3.8
181.10121	8.5
182.11047	4.9
183.08147	3.1
183.11736	36.3
184.08920	3.4
185.09743	15.0
185.13281	44.5
187.07541	5.0
187.11223	8.1
189.09096	5.0
191.07060	3.3
191.10739	5.0
192.09312	3.2
193.10170	5.2
195.11731	14.7
196.12442	4.0
197.09636	13.5
197.13307	8.8
198.10364	7.0
199.11195	21.2
200.11966	3.3
201.09085	7.9
201.12791	5.2
205.10225	4.8
205.12192	4.1
206.10889	3.9
207.11708	11.3
208.12514	3.2
209.09665	7.0
209.13274	7.8
211.11201	13.5
213.09366	4.0
213.12767	54.9
215.10681	8.1
217.10376	6.0
217.12177	4.9
218.10883	3.2
219.11736	7.6
220.12518	4.4
221.13272	9.9
223.11212	8.4
223.14857	5.8
225.09163	3.5
225.12775	6.6
227.10683	4.0
229.10199	4.9
229.12267	10.6
230.10794	4.5
231.09990	5.8
231.11917	6.0
231.13853	12.2
233.09599	5.1
233.13304	8.0
234.14001	3.4
235.11256	3.5
235.14796	7.6
237.12675	7.0
237.16444	5.0
239.10715	4.7
241.12279	11.6
243.11829	5.2
243.13895	9.9
245.13249	8.1
245.15459	18.9
246.14114	7.1
247.11031	4.3
247.14902	8.0
248.15562	6.9
249.12689	5.6
249.16385	5.8
250.13681	3.5
253.09943	3.4
255.13974	4.4
256.12338	3.5
257.13467	4.5
258.14029	4.4
259.11005	4.5
259.13190	4.9
260.15634	3.3
261.12775	6.0
261.16382	11.6
262.13690	4.2
263.14319	7.2
263.17920	3.3
269.13181	4.8
270.13907	5.1
271.10782	4.0
271.15027	4.1
273.14746	28.4
274.13574	4.3
275.14343	6.5
275.17664	6.9
277.15756	3.1
279.17435	4.3
283.11304	3.0
284.15466	3.6
285.12939	4.2
285.16446	6.6
286.13458	3.9
287.14313	5.0
289.15714	3.9
291.17294	4.7
293.18988	4.3
299.14203	3.4
300.15115	3.7
301.16119	5.2
303.17426	7.1
305.15390	4.3
305.19037	3.6
307.16931	4.3
313.15836	6.4
315.13492	3.7
315.17361	5.7
317.15536	5.2
319.16714	3.3
321.18344	7.4
325.21579	3.3
327.17468	6.5
331.16907	11.7
333.18335	6.4
335.16391	4.8
335.20016	5.9
341.15250	4.1
343.16739	5.3
345.18365	6.1
347.16626	5.4
349.17953	6.8
353.21133	8.6
355.17291	4.0
359.16360	6.3
361.17896	5.2
363.19589	6.8
371.16037	3.9
373.17914	8.3
375.19458	6.7
377.17383	8.0
379.19080	4.5
385.17978	5.6
391.19080	17.3
393.20364	6.7
401.17545	6.0
403.19147	16.1
405.20450	5.8
409.20032	13.1
411.21594	5.5
415.19131	4.5
419.18512	3.7
421.20114	12.9
423.21640	6.6
433.20111	8.3
437.19257	3.6
439.21277	3.9
451.21362	22.1
469.22150	15.5
481.22107	11.1
483.23718	3.4
493.22644	6.3
497.20132	5.1
499.23297	9.9
507.18146	4.7
511.23288	8.5
525.19165	5.2
529.24518	32.7
533.24115	3.0
581.27582	3.8
603.22290	4.2
721.37048	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	721.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60468	3.5
53.03947	10.0
53.51746	3.6
55.01886	7.1
55.03698	3.3
55.05524	30.6
58.44377	3.3
67.05499	11.6
69.03432	13.1
69.07072	4.1
69.23446	30.0
70.06589	5.3
71.05001	3.8
77.03922	3.8
79.05518	17.2
81.03441	10.2
81.07067	19.2
83.04992	39.8
85.02927	7.7
91.05489	26.9
93.07040	20.8
95.04974	18.8
95.08591	13.6
97.02888	4.9
97.06551	3.4
98.06111	6.6
98.20724	7.3
103.03960	5.1
103.05476	52.9
104.05804	7.2
105.03399	26.3
105.04504	5.6
105.07050	36.0
106.03764	4.3
107.04957	8.5
107.08608	18.2
109.06519	10.3
111.04474	6.7
115.05476	8.7
117.07010	17.6
119.04931	7.4
119.08606	37.5
121.06527	8.3
121.10184	7.3
123.04447	3.2
125.06068	3.6
126.05569	7.9
128.06305	6.6
129.06989	9.6
131.04028	7.1
131.04948	100.0
131.05951	5.2
131.08588	18.5
132.05302	19.5
133.06503	15.1
133.10159	17.1
135.08073	10.4
137.06099	4.1
141.06984	8.2
142.07800	5.3
143.05019	3.7
143.08582	20.8
145.06508	11.8
145.10080	17.5
147.08104	22.2
149.06006	5.6
149.09631	7.2
151.07562	5.2
153.06976	4.9
154.07889	3.8
155.08549	13.5
156.09363	19.5
157.10188	34.4
158.10640	3.7
159.08080	12.9
159.11707	16.6
161.05997	14.4
161.09662	10.8
163.07504	5.9
165.07016	7.3
165.09079	4.4
166.07846	4.4
167.08527	5.1
168.09256	4.3
169.10139	29.0
170.10907	14.0
171.08070	9.5
171.11731	58.6
173.09616	14.9
173.13261	5.8
175.07645	5.5
175.11189	8.4
177.09161	5.9
179.07124	6.0
179.08592	4.8
179.10818	4.9
180.09282	4.6
181.10115	10.8
183.08090	6.5
183.11723	55.8
184.12120	4.6
185.09700	9.1
185.13263	42.4
187.07565	5.3
187.11200	8.4
189.09224	3.9
193.10176	8.5
193.12057	3.7
194.10902	3.9
195.08160	6.0
195.11729	18.5
197.09650	8.4
197.13298	18.0
199.07387	4.4
199.11215	19.6
201.09125	4.5
201.12759	10.1
205.10091	4.4
206.12000	4.5
207.11728	10.4
208.12560	3.5
209.09663	4.6
209.13309	7.2
211.11198	10.2
213.12746	26.7
215.10597	5.4
217.10246	7.0
217.12352	5.3
219.11723	7.0
220.12378	4.6
221.13295	11.7
223.11174	10.0
223.14886	8.7
225.08978	3.9
225.12747	4.0
229.12300	4.6
230.11139	4.0
231.11688	10.1
232.12398	7.4
233.09750	4.2
233.13248	10.0
234.13966	8.4
235.11305	4.2
235.14864	12.1
237.12857	3.9
237.16299	6.2
241.12321	4.6
243.11690	5.0
243.13832	8.8
245.13252	8.7
245.15453	18.1
246.13957	6.3
247.14822	14.5
249.12935	6.6
249.16331	11.9
251.14255	5.8
251.18095	6.3
257.11490	4.6
258.14001	8.4
259.11182	4.7
259.14880	13.4
260.12225	3.8
260.15610	6.3
261.12756	5.8
261.16412	14.8
263.14233	6.4
263.17975	6.1
269.13358	6.6
270.13980	5.8
273.12521	6.7
273.15448	4.3
273.16440	4.7
274.13235	3.8
275.14227	7.0
275.17953	10.5
276.14786	3.7
276.29877	4.2
277.15997	4.7
279.17471	7.2
286.13354	4.4
287.14310	6.2
287.17651	5.0
288.14966	4.2
289.15683	6.9
291.17422	5.4
299.17816	5.3
301.15665	6.7
303.17471	8.7
315.17468	8.8
321.18530	7.5
329.15155	3.9
331.16873	11.9
333.18417	4.1
335.20001	5.0
343.16974	6.8
345.18503	8.6
347.16409	6.5
349.18085	6.5
351.19666	5.0
353.21277	5.7
355.16980	6.4
359.16180	7.4
361.18192	9.8
363.19586	5.8
373.17902	9.5
381.20856	3.9
389.17288	7.3
391.19171	17.3
401.17264	6.5
405.20532	7.7
409.20126	8.4
419.18433	7.7
421.19733	6.0
423.21494	5.6
433.20120	12.0
451.21106	16.5
465.22888	8.3
469.22235	8.6
483.23666	9.4
501.24402	4.6
529.24500	4.9
621.28772	5.6
689.29773	10.4
703.32080	3.9
721.31812	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	721.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.3
55.01867	7.9
55.05271	4.6
55.05515	65.2
56.91166	4.0
57.03436	6.2
58.44405	3.4
58.64287	3.0
67.05502	13.1
69.03419	9.4
69.07068	9.6
69.40860	30.7
70.06596	7.0
79.05508	21.5
81.03426	25.1
81.07066	25.1
83.04986	100.0
83.08616	8.4
91.05470	33.4
93.07059	24.3
95.04985	18.2
95.08616	22.5
97.06523	6.4
98.06060	7.2
98.21532	8.0
103.05473	32.6
105.03387	10.4
105.07038	31.8
107.04949	12.1
107.08575	11.7
109.06505	7.9
111.04456	8.5
115.05429	6.8
117.06985	14.1
119.04982	6.1
119.08591	25.4
121.06532	8.4
121.10130	9.3
123.83110	3.5
125.05980	3.8
128.06226	7.6
129.06976	8.9
131.04933	69.8
131.08545	17.7
133.06477	17.4
133.10146	13.1
135.04340	4.0
135.08049	11.4
135.11694	13.0
137.06003	6.9
141.07018	4.2
142.07753	4.9
143.08568	15.7
145.06506	7.2
145.10091	19.4
147.08060	18.7
147.11662	4.4
149.05945	4.9
149.09633	6.5
151.07541	6.5
155.08594	10.0
156.09340	12.1
157.10141	24.3
158.07190	3.6
159.08014	14.0
159.11769	9.9
161.05984	17.7
161.09595	9.7
163.11182	22.3
167.08519	4.6
168.06577	8.2
168.09154	4.4
169.10132	15.9
170.10902	7.9
171.08060	12.3
171.11705	49.7
173.09625	16.8
175.07536	5.7
181.10191	6.9
181.12050	4.5
183.08153	7.9
183.11707	30.4
185.09651	8.3
185.13269	36.3
187.11237	4.5
193.10124	7.6
193.12225	6.9
194.10938	3.8
195.08063	4.4
195.11673	12.1
197.09615	11.1
197.13301	4.6
198.10384	5.9
199.07565	5.5
199.11159	16.3
200.11697	5.4
201.09196	8.8
201.12596	4.2
207.11732	8.5
209.09496	4.4
209.13197	4.7
211.11185	15.1
213.09195	5.9
213.12740	32.4
214.13141	4.7
215.10735	7.2
217.12093	5.8
219.11743	7.7
220.12393	5.3
221.13310	8.7
223.11244	7.9
223.14845	9.0
225.09148	4.5
227.10684	6.2
227.12791	17.3
229.12199	6.4
231.11775	8.1
231.13751	4.7
232.12413	5.2
233.13242	8.7
234.14046	5.2
235.11198	9.3
235.14717	11.2
237.12833	5.4
243.13797	9.9
244.12444	7.1
245.13229	10.6
245.15469	18.7
246.13919	6.8
247.11142	5.6
247.14880	7.1
248.12793	4.7
249.12651	4.5
249.16389	8.5
257.13309	5.1
258.14001	5.7
259.14728	8.4
260.15491	4.4
261.16364	10.5
263.14264	5.7
267.15955	32.6
273.14850	10.6
275.14355	5.9
275.17764	6.7
277.15939	5.9
283.15506	28.9
285.16483	5.8
287.14352	6.1
289.15875	8.9
291.17389	9.9
293.18893	5.2
297.12695	5.1
301.15887	7.9
303.17386	11.8
313.15707	7.5
315.17215	4.4
317.15665	4.2
319.16879	4.3
321.14978	4.9
321.18533	9.8
327.17471	8.8
329.15344	5.4
331.16800	10.7
335.19965	6.0
343.16971	4.7
349.18106	6.2
351.19800	9.3
355.16956	4.3
361.17969	5.6
363.19577	10.4
371.16455	3.8
373.18094	12.6
377.17310	6.2
381.20590	7.4
391.18997	13.0
405.20770	8.5
409.20160	11.2
411.21765	4.8
419.18344	8.1
433.20178	9.0
437.19302	8.5
451.21332	28.1
465.22379	9.3
469.22131	16.1
475.26935	35.9
483.23459	7.4
511.23288	7.2
529.24127	21.3
555.21387	6.5
567.26752	4.2
671.30878	4.3
689.31128	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	721.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.1
55.01859	3.4
55.05515	58.5
58.06593	3.0
60.11589	2.8
67.05502	8.8
69.03423	3.7
69.07071	4.6
70.06592	10.1
79.05506	8.0
81.03411	8.0
81.07068	17.2
83.04987	100.0
85.02869	3.3
91.05493	15.5
93.07036	14.7
95.04958	8.2
95.08622	20.1
103.05486	10.1
105.03410	5.2
105.07041	23.8
107.04960	7.2
107.08600	10.6
109.06514	5.0
109.10160	3.7
111.58054	2.9
115.05458	4.0
117.07027	4.6
119.04976	4.1
119.08581	18.1
120.08916	3.3
121.06518	7.7
121.10146	7.7
123.08060	4.5
124.07565	3.4
128.06227	6.8
129.06996	9.5
131.04926	13.4
131.08583	12.0
132.05240	3.6
133.06479	10.6
133.10107	16.6
135.04384	3.8
135.08058	6.0
137.05966	4.3
137.09602	3.1
142.07793	5.1
143.08580	17.0
145.06447	12.9
145.10141	22.2
146.61819	3.0
147.04335	4.0
147.08086	14.2
147.11687	3.7
149.06160	3.7
149.09621	9.6
151.07611	5.1
152.07103	3.7
154.07767	3.4
155.08582	8.1
156.09369	13.0
157.10164	25.3
159.08083	13.1
159.11678	8.4
161.05984	11.8
161.09654	9.1
163.11160	5.0
167.07080	2.8
167.98296	3.1
169.10040	15.4
170.08168	16.3
170.10939	8.3
171.08037	16.0
171.11688	46.4
172.08885	4.7
172.12309	3.7
173.06047	5.7
173.09641	12.8
175.07558	7.9
179.08469	3.5
180.09500	3.3
181.10199	7.6
183.08047	6.6
183.11700	42.4
184.12347	4.3
185.09622	11.8
185.13260	37.2
187.11180	6.3
189.05475	3.3
189.09105	4.3
193.10178	6.5
193.12057	3.3
195.11743	9.9
197.09601	7.6
197.13303	11.3
198.07648	41.0
198.10432	6.8
199.07961	13.9
199.11237	12.5
200.11885	3.4
201.09044	3.5
201.12675	4.1
205.12135	3.4
207.11774	14.0
209.09535	4.1
209.13295	6.3
211.11238	10.9
211.14668	3.7
213.09317	4.3
213.12778	63.0
213.14772	4.8
215.10649	3.4
217.12148	3.9
219.11745	6.3
220.12489	4.3
221.13284	9.6
223.11281	3.8
223.14804	5.7
225.12807	4.5
229.10164	3.9
229.12233	5.5
231.09958	3.5
231.11896	4.6
231.66643	3.4
232.12541	4.9
233.13283	9.9
234.14015	5.3
235.11301	3.4
235.14725	14.0
237.12761	5.8
241.12256	8.1
243.11797	5.3
243.13776	15.8
244.12498	5.4
245.13396	5.6
245.15398	20.9
246.13989	8.1
247.11212	4.3
247.14830	8.4
249.16396	7.9
251.17889	7.2
255.11603	3.7
255.13889	5.1
258.13977	7.7
259.10995	5.5
259.15121	5.9
260.11960	4.6
260.15543	5.3
260.86578	3.0
261.12720	6.7
261.16422	13.1
263.14352	3.7
263.17850	4.1
265.19388	3.8
269.13245	4.5
273.12341	4.9
273.14789	36.0
275.14102	4.2
275.17969	8.1
277.15759	6.9
279.17239	4.7
284.11993	4.0
285.12784	3.2
285.16446	4.5
287.14310	5.3
289.15805	8.6
291.13675	3.8
291.17477	5.2
293.19058	5.3
298.13550	5.0
299.14221	3.8
301.15781	6.2
303.17316	7.9
305.15213	4.1
307.16919	4.4
313.15747	7.8
315.17542	3.6
316.14767	3.5
319.17184	4.4
321.18484	5.8
323.20026	5.9
325.21548	4.8
331.16919	11.8
335.16498	8.1
335.20068	6.6
345.18439	9.6
349.17960	8.8
351.19540	5.0
353.21207	9.1
355.16943	5.7
359.16513	4.0
363.19577	7.2
373.17908	12.2
377.17444	9.4
377.21817	3.4
381.20551	4.3
387.19516	5.8
391.19260	17.8
401.17169	7.4
405.20538	8.5
409.20193	14.6
411.21738	6.8
412.76358	3.2
413.23221	5.1
415.18701	5.5
419.18622	7.9
421.20200	3.8
423.21725	6.9
433.20013	16.4
437.19708	4.1
451.21243	26.0
460.27817	6.6
469.22342	23.8
473.23904	3.5
478.28656	6.6
483.23450	5.6
493.21423	3.9
511.23322	11.3
525.25165	4.6
529.24353	42.0
543.25500	2.9
553.24384	3.9
571.25427	3.5
611.28619	3.6
653.28687	4.5
684.53162	3.0
721.32440	7.1
721.43127	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	721.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.3
53.67686	0.3
54.43949	0.3
55.01870	0.4
55.05517	2.1
67.05531	0.4
69.07052	0.4
69.38456	0.3
74.73845	0.3
79.05509	0.8
81.03407	0.5
83.04988	3.6
91.05492	1.4
93.07053	1.2
93.43415	0.3
93.56955	0.3
95.04977	0.7
95.08578	0.3
97.06580	0.4
102.10771	0.3
103.05474	3.5
105.07034	1.4
107.08607	0.6
110.49324	0.4
111.01445	0.3
117.07009	0.8
119.08578	1.6
121.06529	0.4
121.10168	0.3
128.06306	0.5
129.07037	1.0
129.24110	0.3
131.04942	6.0
131.08553	1.5
133.06435	0.3
133.10178	1.1
135.08087	0.4
141.06973	0.4
142.07846	0.7
143.08626	1.6
145.06528	1.0
145.10179	1.4
147.08075	1.2
149.09680	1.0
155.08603	0.7
156.09346	0.5
157.10146	1.9
159.08096	1.4
159.11697	0.5
160.08929	0.4
161.09596	1.5
165.07019	0.5
168.09352	0.4
169.10210	0.9
170.10909	0.6
171.08107	0.8
171.11743	1.4
173.09634	1.9
181.10159	0.6
183.11650	1.8
185.09682	1.3
185.13304	1.0
187.11186	0.6
193.10185	0.5
195.11786	0.4
197.09708	0.6
197.13234	0.3
198.10429	0.5
199.11179	1.8
199.88712	0.4
201.12766	1.2
209.09686	0.5
211.11220	1.0
213.09103	0.4
213.12758	3.9
221.13206	0.4
223.11330	0.6
225.12720	0.4
229.12305	1.4
241.12236	0.5
261.12955	0.4
273.14865	1.0
281.11517	1.0
289.16028	0.4
303.57025	0.4
357.16852	1.0
389.17612	0.5
407.18768	0.5
417.19043	2.7
425.19485	0.4
498.04999	0.4
541.25775	0.4
561.24792	0.6
601.27637	1.0
661.29877	100.0
662.30304	4.2
721.37921	0.8
739.35480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	6.4
53.03945	13.7
55.01866	9.4
55.05516	74.6
56.79414	2.5
57.03422	4.0
67.05515	19.0
69.03432	7.7
69.07055	6.4
69.18840	7.8
69.19260	16.5
70.06578	3.6
77.03905	2.9
79.05500	24.0
81.03420	17.8
81.07056	12.6
83.04989	100.0
85.02911	5.8
91.05489	32.4
93.03427	3.4
93.07049	17.2
95.01347	3.6
95.04973	36.2
95.08612	6.8
97.02893	5.7
97.06563	6.1
98.24119	2.5
103.05472	23.2
104.04698	2.3
105.02718	5.3
105.03402	94.3
105.04520	5.7
105.07040	41.3
107.04962	7.7
107.08597	9.1
109.06506	12.2
109.10154	5.0
111.04427	4.3
111.70860	2.4
112.05126	2.1
115.05463	9.8
116.06280	2.8
117.07037	14.3
119.04949	5.4
119.08600	18.3
121.02920	3.1
121.06525	13.7
121.10123	4.5
123.04412	3.9
123.08069	5.5
125.06008	5.3
128.06215	15.2
129.07014	17.6
131.04935	35.2
131.08569	24.1
133.06517	35.4
133.10104	7.8
135.04443	4.7
135.08086	12.9
135.11736	2.5
137.05966	8.6
141.06966	13.7
142.07787	10.5
143.08562	24.6
145.06494	19.8
145.10100	12.2
147.08041	10.5
147.11745	3.2
149.05959	7.4
149.09634	5.5
151.03912	2.6
151.07639	3.0
153.06958	5.0
154.07758	9.0
155.08548	13.2
156.09366	15.7
157.06485	6.9
157.10149	19.1
158.07268	3.4
159.08081	15.4
159.11688	6.6
161.05998	52.8
161.09628	8.0
163.07547	17.2
165.05684	2.9
165.07066	7.5
166.07799	2.8
167.07071	2.6
167.08617	7.2
168.09361	4.8
169.06500	7.9
169.10147	23.2
170.10893	3.9
171.08066	14.8
171.11703	25.7
172.05292	2.9
173.04486	2.8
173.05959	8.2
173.09598	11.2
173.13208	4.9
175.07552	7.7
175.11121	3.7
177.09128	5.4
178.07730	3.0
179.07048	6.1
179.08540	8.8
180.09326	4.3
181.10080	5.0
182.07242	3.6
182.10977	2.6
183.08105	14.6
183.11710	19.6
184.08838	12.8
185.05963	3.7
185.09607	14.3
185.13297	4.1
187.07568	7.9
187.11220	9.5
189.05534	5.6
189.09108	6.5
192.09430	4.0
193.10179	6.0
193.12181	2.5
195.08073	8.9
195.11748	7.1
197.05861	3.1
197.09631	28.3
197.13324	2.9
198.10373	4.8
199.07542	7.6
199.11218	41.0
200.11760	4.1
201.09106	5.4
201.12660	4.3
203.07002	6.6
205.08583	6.1
205.10286	3.1
207.08099	5.7
207.11671	4.2
208.08928	2.7
209.09657	9.8
210.10492	3.4
211.07564	5.9
211.11183	7.9
213.09105	12.8
213.12785	5.6
215.07048	5.3
215.10649	10.9
217.08583	7.6
217.12144	3.0
219.11855	3.6
221.09689	5.9
223.07494	8.6
223.11168	7.3
225.09128	42.5
227.07031	4.4
227.10670	9.6
229.08527	4.3
229.12239	4.3
235.07478	5.4
235.09451	4.2
235.11426	3.6
237.09108	5.3
237.12753	3.7
239.10689	5.8
241.08420	13.3
243.10170	8.0
245.07957	5.4
245.13306	3.9
246.10315	3.3
247.09549	5.8
247.14853	3.2
248.15602	2.7
249.08925	3.6
251.10672	5.1
253.08505	6.1
253.12285	2.9
255.10065	4.7
257.07797	11.4
257.11667	5.4
258.10593	2.8
259.09595	5.5
263.10837	4.3
265.12250	4.6
267.10217	7.6
267.15948	3.7
268.15726	2.7
271.09604	3.6
272.12073	3.5
273.11115	4.2
275.20175	7.2
285.11304	15.7
287.14069	3.3
296.12360	3.2
297.12567	2.8
301.10822	7.1
303.04907	2.8
303.12418	5.5
309.10770	3.4
313.15799	3.4
315.13977	3.8
329.15338	5.1
331.16916	5.6
339.13348	3.0
341.15149	2.9
345.14734	5.1
349.18231	3.9
357.14758	4.9
359.16382	3.6
367.13193	3.4
373.14243	4.7
377.17206	7.3
385.16537	5.3
391.15173	4.3
395.18335	4.4
403.15457	8.4
411.01050	2.5
413.13937	5.7
417.16876	4.4
419.15042	2.9
431.14865	5.8
433.16385	5.7
435.17752	6.5
445.16437	9.3
449.15887	6.7
451.17307	8.9
463.17664	37.7
467.20233	4.9
469.18488	3.4
474.29285	5.3
481.18463	15.0
499.19379	2.6
545.21857	3.2
551.22974	12.2
559.36011	2.9
563.22858	28.5
581.23938	18.1
599.24792	4.3
634.48462	2.9
637.23621	2.7
685.26398	5.5
703.27997	4.7
721.31036	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	721.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.1
51.63059	0.6
53.03936	2.4
55.01864	1.9
55.05508	1.8
57.03446	0.8
67.05486	3.4
69.03416	1.0
69.07071	0.9
77.03922	0.8
79.05502	4.1
81.03429	4.2
81.07046	2.3
83.04993	1.1
83.31739	0.6
91.05483	5.9
93.07041	2.5
95.01353	1.1
95.04977	8.6
95.08621	1.6
97.02911	0.9
97.10223	0.8
98.20691	1.5
102.04658	0.9
103.05479	46.7
104.05853	0.8
105.03407	1.2
105.04532	0.9
105.07045	11.8
107.04961	2.2
107.08601	1.8
109.06509	1.8
111.04450	0.9
115.05466	3.1
116.06226	0.8
117.07014	4.8
119.04973	1.3
119.08587	3.1
121.02890	1.2
121.06527	2.1
123.04437	1.9
125.05984	1.0
128.06247	1.6
129.07011	4.1
131.04941	100.0
131.08595	4.2
132.05247	1.3
133.06499	9.2
133.10133	1.3
134.85832	0.6
135.04436	1.5
135.08058	2.6
137.05936	1.3
141.07027	3.0
142.07832	3.3
143.08600	4.6
145.06485	4.4
145.10126	2.1
147.08078	2.4
147.78485	0.7
149.05978	1.5
151.07599	1.3
152.06258	0.9
153.07039	1.2
154.07817	2.5
155.08565	2.7
156.09380	1.4
157.06499	2.1
157.10164	3.8
158.07248	0.9
159.08061	3.6
159.11687	1.9
161.06004	19.7
161.09602	1.7
163.07593	5.2
165.05501	0.7
165.07080	0.7
167.08542	2.2
169.06491	1.7
169.10114	4.6
170.10834	1.1
171.08104	2.7
171.11728	3.1
172.08881	0.8
172.12054	0.7
173.05991	2.3
173.09680	3.9
175.07573	2.2
177.09283	0.8
179.07050	2.1
179.08560	1.8
180.09390	1.4
181.10207	2.1
183.08084	3.9
183.11742	1.5
184.08946	1.1
185.06003	2.5
185.09653	4.8
186.10408	0.9
187.07593	2.5
187.11209	2.8
189.05537	1.0
189.09148	1.3
193.06760	0.7
193.08554	0.9
193.10231	0.9
195.08084	2.6
195.11725	0.8
196.08806	0.9
197.09624	7.0
198.10335	1.4
199.07520	3.4
199.11200	3.4
201.09122	2.3
203.07066	1.1
207.08240	1.0
207.11768	0.9
209.09595	1.6
211.07640	2.0
211.11179	1.7
212.08376	0.7
213.09140	5.6
213.12819	0.7
214.09958	1.2
215.07013	1.2
215.08961	0.8
215.10670	3.3
217.08539	1.6
221.09674	0.9
223.07576	2.0
223.11198	1.0
225.05611	1.3
225.09138	16.2
227.06958	1.3
227.10660	2.0
229.08522	1.1
235.07588	1.3
235.11252	0.9
237.09084	1.1
239.06978	0.8
239.10786	1.2
241.08572	6.3
243.06583	1.2
243.10023	3.3
245.08107	1.2
245.11760	1.0
247.09550	1.4
251.10747	1.4
253.08548	1.4
255.10201	1.5
257.08075	8.2
257.11795	2.2
259.09528	4.4
261.09082	1.0
263.10770	0.9
267.10172	1.6
273.11237	1.1
279.10266	1.4
281.12067	0.8
283.09634	1.2
285.11148	6.6
286.10126	0.7
287.14182	1.2
289.12131	1.3
291.10233	1.2
293.11923	0.9
301.10605	3.2
303.12360	1.4
311.10840	1.0
311.14389	1.0
315.14023	0.8
317.11722	0.8
317.15439	0.9
325.12180	1.1
329.15121	1.5
331.17081	1.0
343.13373	1.2
345.14407	1.1
347.16611	1.1
357.14828	2.0
361.12793	6.6
367.13315	1.8
369.14050	0.8
375.15857	1.4
377.17456	0.8
385.14441	3.1
395.18588	0.9
403.15594	3.5
413.13934	1.7
417.16763	1.0
419.15009	2.2
421.16434	1.8
427.15482	1.0
431.14862	1.6
433.16333	1.5
435.18158	2.1
445.16623	3.4
449.16025	2.0
451.17474	2.3
463.17599	13.8
469.18564	1.1
481.18478	5.3
493.18896	1.1
495.20340	1.3
505.18472	1.5
509.17844	1.0
511.19507	4.0
523.19739	7.5
541.20673	14.6
541.34723	1.4
611.21948	0.9
629.23541	1.9
671.25201	1.0
684.20868	0.9
689.26099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49339	10.4
55.05505	27.8
57.03425	12.2
67.05503	59.0
69.07075	23.2
74.06080	11.8
74.09737	100.0
79.05494	54.9
81.07067	68.5
84.13103	11.6
89.06030	13.9
91.05486	65.7
93.07052	50.7
95.08643	53.7
97.10188	11.3
105.07024	37.7
107.08572	37.4
109.10148	14.7
117.07023	41.0
119.08595	16.6
121.10149	27.6
131.08539	44.3
133.10133	15.0
133.64430	10.4
135.11652	14.0
143.08575	16.3
145.10172	24.9
159.11630	15.1
170.47801	11.6
280.82162	12.6
291.19388	15.1
347.22238	16.7
365.23129	26.4
395.28009	32.7
531.24066	16.7
543.37665	11.2
591.26086	51.7
592.26563	14.0
623.27710	23.1
667.44769	12.8
685.46906	20.9
720.34564	55.9
721.35693	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42286	1.4
53.03937	2.0
55.01857	1.4
55.05524	10.7
57.03443	10.9
57.07079	24.3
59.05029	1.6
61.02921	2.6
67.05174	1.8
67.05513	23.8
69.03424	3.9
69.07075	10.2
69.47006	9.2
70.10013	1.4
71.04979	4.2
71.08631	16.3
78.04572	1.5
79.05502	16.0
81.02985	2.1
81.03425	31.7
81.07064	26.3
83.05006	7.6
83.08624	19.5
85.02917	14.1
85.10207	9.2
89.06006	1.7
91.05483	20.2
93.07063	12.4
95.04971	13.2
95.08609	16.8
97.02891	3.6
97.06513	3.2
97.10172	5.0
105.07039	13.4
107.04990	3.5
107.08582	4.9
109.06496	3.3
109.10156	8.5
111.04439	1.9
111.08068	5.8
115.05464	1.7
117.07011	2.4
119.08603	14.8
121.10168	8.2
123.08098	2.7
123.11675	2.7
127.03851	1.5
129.07027	7.6
131.08588	8.3
133.10133	10.4
147.11697	12.3
149.09601	4.7
157.10118	8.4
163.11218	2.1
175.11212	9.0
193.04869	2.0
193.12260	24.6
211.13310	40.3
218.15915	1.8
257.24817	1.6
261.43817	1.5
267.15942	18.0
285.16974	58.5
313.27380	70.2
355.46121	1.5
431.25092	1.7
449.46771	1.6
465.35345	4.0
475.20959	1.7
476.21875	2.2
505.38855	14.6
523.40009	100.0
524.40466	1.7
536.23309	2.4
622.27649	2.9
623.28131	12.0
720.34143	7.3
720.45056	2.3
721.36267	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	720.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
54.91575	0.6
55.01859	1.6
55.05514	11.5
57.03436	4.9
57.07063	0.7
64.61584	0.6
65.03928	1.3
67.05506	19.1
67.48640	0.6
69.03421	1.9
69.07085	3.5
70.06597	0.7
70.32779	0.6
71.04994	0.8
71.55972	0.9
71.81422	0.6
77.03928	0.9
79.05492	26.5
81.03419	33.7
81.07055	15.5
83.04988	9.8
83.08619	9.0
85.02872	0.9
85.06529	1.6
86.06050	0.7
91.05484	23.1
92.05823	0.9
93.07042	26.2
93.07629	1.4
95.04967	15.1
95.08604	11.2
97.02891	1.6
97.06525	2.5
97.10179	2.7
103.05473	7.6
104.05817	1.5
105.03403	4.7
105.04515	1.6
105.07037	17.1
107.04957	4.7
107.08594	7.6
109.06521	3.8
109.10163	2.7
111.08090	3.0
115.05484	1.7
117.07018	3.8
119.04971	1.1
119.08575	13.6
121.04344	0.7
121.06522	2.5
121.10137	3.8
123.08081	3.5
123.22732	0.6
125.09650	1.4
126.05495	1.0
128.06221	1.6
129.07016	9.2
131.04921	13.4
131.08575	4.8
132.05267	2.7
133.06499	3.7
133.10127	6.5
135.08110	1.6
135.11700	0.8
137.09625	1.3
142.07729	1.3
143.08572	5.2
145.10150	5.0
147.08092	3.7
147.11694	15.4
149.09636	2.1
155.08603	1.3
156.09311	1.3
157.10165	5.7
158.10442	1.1
159.08041	1.4
159.11632	1.1
161.05983	1.4
161.09659	1.8
161.13283	4.0
163.07547	0.9
163.11212	1.0
165.12778	0.9
169.10104	1.6
170.10840	0.8
171.08028	0.9
171.11710	12.6
172.12000	1.2
173.09671	1.0
175.11197	4.3
183.10240	0.8
183.11606	3.1
184.12213	1.2
184.37260	0.6
185.09544	1.1
185.13274	2.4
187.07526	0.7
189.12720	3.4
193.10283	1.5
193.12271	8.4
197.09616	1.4
197.13167	0.7
199.11157	1.8
200.11647	0.8
201.12759	0.8
207.11864	1.5
207.13765	9.8
209.09505	1.0
211.11240	1.4
212.11624	0.9
213.12730	3.8
214.13268	1.2
221.13364	0.9
222.13736	0.8
223.11287	0.9
225.15076	0.8
227.10695	0.8
229.12259	0.9
233.13461	0.9
236.15399	0.8
245.15459	0.8
267.15921	30.6
273.14841	1.5
276.18204	0.8
281.17477	31.0
293.09976	0.7
302.16083	0.7
303.17599	1.0
304.32880	0.7
322.19254	1.0
352.20255	0.9
369.20639	0.7
409.20041	0.9
410.20459	0.8
433.50662	0.9
447.27643	0.9
452.25137	2.5
470.22290	1.4
470.59808	0.7
473.29004	100.0
474.29419	3.7
491.30026	1.8
515.30280	2.1
570.27631	2.2
720.30304	1.0
736.70850	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01868	1.0
55.05519	3.0
67.04232	1.6
67.05518	2.8
69.03438	4.8
69.07058	1.8
70.06611	3.0
71.04977	1.4
71.55631	0.8
72.04520	0.7
79.05498	3.6
81.03393	1.7
81.07079	3.3
82.06584	3.7
83.04977	2.8
83.08611	1.5
84.08086	0.9
86.06066	1.9
87.04459	1.8
88.03957	0.8
89.69479	0.6
91.05496	5.9
93.07047	4.3
94.06561	4.1
95.04973	2.2
95.08630	4.2
96.08112	1.0
97.02892	0.9
97.06516	1.2
98.06060	16.5
99.04458	5.4
100.03995	0.7
100.07581	1.1
103.05455	1.2
104.07117	2.2
105.07037	6.8
107.04940	1.4
107.08595	5.7
107.44176	0.6
109.06506	1.7
109.10149	1.7
109.68055	0.6
111.04478	0.6
111.08076	1.0
113.05997	1.1
114.05551	2.3
115.03922	0.7
115.05470	1.2
116.06311	0.9
116.07079	4.7
117.07025	2.4
118.52252	0.6
119.08598	8.7
121.06506	1.0
121.10161	3.5
123.08086	1.0
126.05518	1.8
127.03934	4.0
128.06241	1.0
128.07120	0.8
129.07043	3.9
131.08597	5.0
132.06566	0.7
133.10124	6.2
135.08081	0.9
135.11696	2.2
137.06000	0.8
140.07040	3.1
141.07018	1.1
142.04980	2.4
142.07773	1.3
142.08742	0.9
143.08586	5.8
144.06569	100.0
145.04926	0.6
145.06635	1.1
145.10132	7.1
146.08092	0.8
147.08046	1.1
147.11678	3.9
149.09630	0.7
153.06973	1.1
154.07770	0.7
155.08591	4.8
156.09364	2.6
157.10138	9.0
158.08202	3.5
158.09264	0.6
159.08073	1.0
159.11707	6.6
160.06061	0.9
161.09663	1.3
161.13271	1.4
165.07112	1.5
167.08571	1.2
168.06607	1.6
168.09363	1.5
169.10130	6.1
171.11723	7.0
173.09576	0.8
173.13277	2.4
175.11237	1.1
177.09192	1.0
179.08574	3.1
181.10149	5.9
182.10953	2.3
183.11731	8.5
184.06018	0.8
185.09705	1.2
185.13258	3.7
186.07623	3.3
187.11195	0.9
187.14780	0.6
189.09109	1.1
191.10782	0.9
192.09357	1.1
193.10126	3.2
194.10959	2.4
194.44901	0.6
195.11716	8.1
196.02435	0.6
196.12469	1.9
197.09680	1.6
197.13275	6.4
199.11194	1.4
199.14923	2.1
203.10632	1.0
204.08690	57.8
205.10312	1.2
205.12158	0.7
206.11035	2.0
207.11728	5.2
208.12495	1.8
209.09717	0.8
209.13283	6.9
210.13921	0.7
211.11201	1.1
211.14842	4.0
213.12785	1.5
213.16331	0.6
215.10768	0.9
218.10921	0.9
219.11777	1.8
219.13771	0.8
220.12482	1.9
221.13313	6.5
222.14238	0.9
223.14810	7.6
224.15706	1.0
225.12772	1.4
225.16438	1.3
227.14523	0.7
227.17822	0.8
231.11801	1.3
232.12509	1.5
233.13293	2.3
234.14105	1.4
235.11194	0.7
235.14865	4.4
236.15596	1.1
237.12799	1.1
237.16464	1.8
244.12468	0.6
245.13289	1.3
247.14961	3.8
248.15704	1.3
249.12790	0.9
249.16573	3.4
251.14348	1.0
251.17996	1.1
255.13686	1.4
257.15347	1.1
259.14865	0.7
261.16455	1.8
263.14398	1.0
263.17993	1.8
265.15891	1.7
265.19568	1.7
267.13873	0.8
273.16470	1.2
277.15829	0.9
277.19501	0.7
279.17386	0.9
281.15649	0.8
283.16977	1.8
288.14914	0.6
291.17590	1.2
305.19061	1.1
307.16998	0.9
311.16742	0.7
321.18350	0.7
325.18167	0.9
325.21637	4.9
327.15503	0.6
327.20041	0.8
333.18634	1.0
337.18097	1.6
351.19583	0.9
355.19040	1.4
367.22971	0.7
379.22922	1.0
393.23975	0.9
421.23856	0.8
427.24918	1.5
439.24838	3.2
457.25992	2.7
558.29181	0.7
611.91400	0.7
642.32886	0.8
660.33948	1.4
702.34747	1.7
720.35895	83.7
721.37256	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	720.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.05518	1.6
57.03420	0.3
57.07069	0.4
59.04986	0.4
65.03919	0.5
67.04234	0.7
67.05517	1.8
69.03439	5.0
69.07083	1.6
69.28393	1.1
69.28816	1.7
70.06608	1.5
71.04979	1.2
79.05497	2.9
81.03400	1.2
81.07076	3.0
82.06594	3.1
83.04985	1.6
83.08599	0.8
84.04486	0.4
85.02898	0.4
85.06531	0.8
87.04472	2.4
91.05041	0.3
91.05485	3.2
93.07047	3.7
94.06573	2.8
95.04974	0.8
95.08622	2.8
97.02875	0.5
97.06517	0.7
98.05412	0.7
98.06062	14.0
99.04466	5.7
100.07616	1.1
101.06058	0.5
101.56615	0.4
105.07043	5.9
107.04962	0.8
107.08604	3.5
109.02876	0.4
109.06541	0.7
109.10163	1.0
111.04434	0.5
111.08093	0.8
113.06001	1.1
115.03943	0.5
115.05449	0.9
116.06336	0.5
116.07095	4.7
117.07007	1.5
117.77111	0.4
119.08590	6.0
121.06486	0.6
121.10148	2.5
123.08066	0.8
123.11751	0.5
125.05985	0.5
126.05524	1.0
127.03925	3.9
127.07538	0.4
128.06213	1.0
129.05557	0.5
129.07021	1.7
131.04912	0.4
131.08588	4.5
133.06451	0.4
133.10144	5.2
135.04376	0.3
135.08049	0.6
135.11716	1.6
140.07095	1.8
141.07001	1.4
142.07817	1.8
142.08749	0.4
143.08586	5.4
144.06570	100.0
145.04962	0.6
145.06886	0.5
145.10146	4.9
146.08185	0.5
147.08090	0.4
147.11700	3.5
149.09615	0.5
153.05453	0.6
153.07016	0.9
153.09160	0.6
154.07782	0.6
155.08563	3.6
156.09346	1.6
157.10147	7.2
158.08156	13.5
159.08167	0.4
159.11694	4.4
161.09637	1.2
161.13245	0.5
163.07649	0.4
165.07040	1.7
165.09073	0.6
166.07855	0.5
167.08588	1.7
168.09326	1.9
169.10149	6.5
170.10870	0.8
171.08018	0.4
171.11699	5.3
172.12509	0.4
173.09662	0.8
173.13304	1.5
175.11147	0.4
179.08575	2.0
179.10793	0.4
181.10133	5.4
182.10934	1.7
183.08011	0.4
183.11702	7.4
184.12468	0.4
185.09615	0.7
185.13283	3.0
186.07626	0.4
187.11237	0.5
187.14780	0.3
189.09140	0.9
191.08586	0.8
191.10558	0.5
192.09354	0.9
193.08542	0.5
193.10146	3.6
193.11954	0.5
194.10909	2.2
195.11697	6.8
195.13411	0.5
196.12515	1.4
197.09610	0.4
197.13264	6.1
198.14056	0.6
199.11237	0.8
199.14857	1.1
201.12752	0.4
203.08710	0.3
203.10649	0.8
204.08690	81.5
205.10152	1.3
206.10901	1.6
207.09956	0.6
207.11726	5.1
208.12505	1.5
209.09760	0.6
209.13261	6.9
210.14070	0.9
211.11172	0.8
211.14818	3.2
213.12691	0.5
213.16389	0.5
215.10695	0.8
217.10107	0.9
217.12242	0.4
218.10890	0.6
219.11771	2.2
219.13623	0.5
220.12541	1.4
221.09843	0.5
221.13280	6.0
222.14037	1.0
223.11269	1.1
223.14821	6.6
224.15598	0.7
225.12863	1.0
225.16333	1.7
227.10716	0.3
227.14343	0.5
227.17979	0.4
229.10039	0.3
229.12190	0.6
230.10930	0.6
231.11765	1.0
232.12529	0.8
233.13307	2.6
234.14113	1.2
235.14848	3.6
236.15727	0.5
237.12801	1.0
237.16426	2.6
238.06877	0.3
238.17175	0.5
239.10648	0.5
239.18011	0.9
243.13928	0.8
244.12553	0.9
245.13248	0.9
246.13979	0.6
247.11125	0.5
247.14915	3.4
248.15572	0.6
249.12778	0.6
249.16371	2.2
251.14525	0.7
251.18044	0.7
253.12442	0.5
253.19572	0.5
255.13918	1.1
257.11749	0.4
259.14969	0.8
261.16656	1.6
262.17120	0.7
263.14417	1.2
263.18018	2.2
265.15945	1.4
265.19672	1.0
267.13943	0.6
267.17529	0.4
269.15488	1.0
273.16382	1.3
277.16013	0.4
281.15405	1.0
281.19086	0.4
283.17062	2.2
283.19812	0.4
289.15836	0.6
289.19464	0.6
291.17435	1.1
293.15570	0.5
293.19180	0.4
295.16861	0.4
299.16803	0.5
299.20206	0.7
305.19083	0.8
306.64838	0.3
307.16885	0.8
307.20679	0.9
309.18530	0.6
311.16498	0.5
315.17184	0.5
319.17026	0.6
323.16556	0.5
323.19806	0.7
325.18079	1.0
325.21741	3.8
333.18640	0.5
333.22156	0.5
337.18066	1.4
349.21674	0.5
351.19699	0.8
355.19254	1.1
375.23398	1.0
379.18686	0.5
379.22690	1.1
381.23856	0.4
393.24429	0.9
397.24478	0.6
403.22989	0.5
421.23804	1.0
427.24823	1.0
439.24835	3.4
457.26224	2.2
499.27148	0.4
642.32159	0.4
660.34241	1.1
702.34778	1.1
720.35956	74.3
721.36420	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	719.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.3
51.02387	0.7
51.15302	0.2
53.03945	1.5
55.01865	0.3
55.05503	0.4
67.05514	0.8
69.03423	0.3
69.07050	0.4
77.03937	0.7
79.05489	0.7
81.03413	0.5
81.07047	0.7
83.08640	0.2
85.02907	0.2
91.05454	0.8
93.07051	0.6
95.04963	1.3
95.08594	0.5
102.04670	0.5
103.05466	41.5
103.59148	0.2
104.05761	0.4
105.04510	0.7
105.07014	0.6
107.04922	0.2
107.08585	0.4
109.10123	0.5
111.08076	0.3
115.05493	0.2
117.06986	0.4
119.08596	1.0
121.06544	0.2
121.10124	0.3
127.16879	0.2
129.06981	0.3
131.04926	100.0
132.05263	0.6
133.10095	1.4
135.08026	0.2
135.11769	0.3
139.07571	1.0
142.07695	0.3
143.08583	0.5
144.08084	0.6
145.06465	0.3
145.10094	0.8
147.08003	0.9
147.11703	0.4
149.09631	0.3
155.08498	0.3
157.10136	0.9
159.08055	0.4
159.11725	1.1
161.09602	0.3
161.13252	0.2
163.07515	0.5
167.08934	0.2
169.10139	0.4
170.10938	0.2
171.11700	1.0
173.09634	0.4
173.13228	1.0
183.11684	1.0
185.13191	0.8
187.14888	0.4
195.11687	0.3
197.13271	0.8
199.14835	1.1
201.12875	0.2
201.16394	0.3
209.13184	0.3
211.11171	0.2
223.11105	0.2
235.16904	0.2
239.17827	0.2
249.16241	0.2
251.17947	0.2
277.19446	0.2
279.21133	0.9
280.21228	0.2
291.20917	0.3
293.22589	0.9
294.23364	0.8
295.24286	0.3
313.27402	0.2
314.16135	0.2
315.17416	0.4
325.21573	0.4
363.23044	0.6
375.19708	0.2
389.21234	0.4
407.21921	0.4
415.29987	0.2
426.12854	0.2
433.31012	14.0
434.31189	0.6
434.46445	0.2
435.21432	0.5
451.31976	0.6
493.32648	0.2
495.23486	0.2
565.24982	0.2
581.35992	0.3
622.23846	0.6
701.28326	0.3
719.41003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89247	2.0
51.23674	2.0
53.03940	6.7
54.74669	1.9
55.01875	2.6
55.05512	38.7
57.03435	3.9
67.05502	17.0
69.03431	5.2
69.07057	2.8
71.04951	2.5
79.05494	14.4
81.03423	11.1
81.07051	15.9
83.04984	52.6
83.08626	2.9
84.05322	2.4
85.02908	4.9
86.17697	1.9
91.05476	21.7
93.07051	14.5
95.04956	15.6
95.08613	28.7
97.06521	3.3
98.49292	2.0
99.04450	2.2
103.05466	47.6
105.03394	16.4
105.04504	3.2
105.07030	28.4
107.04957	7.9
107.08574	9.7
109.06532	5.6
109.10159	4.0
115.05437	4.3
117.07014	7.9
119.04897	2.8
119.08574	20.9
121.06510	6.1
121.10130	4.9
123.08050	4.7
128.06218	6.7
129.07004	8.5
131.04932	100.0
131.08525	11.7
133.06461	10.8
133.10146	17.3
135.08069	10.0
136.06204	5.5
141.07034	4.5
142.07782	8.5
143.08559	16.1
145.06500	6.4
145.10121	16.5
147.07994	9.8
147.11688	4.4
149.05954	4.1
149.09619	4.2
151.07530	4.4
153.06985	2.7
155.08577	10.7
156.09348	9.9
157.06583	2.6
157.10118	25.8
159.08060	9.3
159.11690	7.3
161.06012	16.0
161.09613	7.4
163.07518	7.1
163.11154	6.3
165.07016	5.0
165.09134	2.3
166.07808	2.3
167.08537	3.5
168.09349	3.5
169.10132	16.7
170.10881	7.9
171.08060	14.1
171.11681	46.1
172.08778	4.0
172.12280	2.5
173.05963	2.6
173.09587	14.7
173.13293	3.5
175.07574	7.0
175.11217	2.8
175.21519	2.7
177.09119	4.7
179.07056	3.9
179.08504	4.5
180.09377	3.0
181.10152	7.1
183.08095	6.4
183.11694	35.0
184.08893	2.5
184.12375	2.9
185.09647	9.6
185.13261	24.7
187.07573	3.9
187.11198	3.4
189.09116	6.4
191.10620	3.7
193.08604	2.9
193.10175	6.8
193.12068	2.3
194.10970	3.4
195.11722	7.6
197.09651	8.4
197.13301	4.3
198.10403	2.9
199.07494	3.1
199.11171	17.1
201.09088	4.7
201.12788	6.2
203.10622	3.1
206.10881	3.7
207.11711	12.6
209.09621	5.8
209.13208	6.8
211.11136	13.2
213.09026	2.7
213.12732	25.0
215.10721	3.8
218.10852	3.1
219.11665	8.2
219.13538	2.3
220.12456	4.9
221.09746	4.3
221.13222	8.3
222.14020	2.6
223.11319	4.2
223.14886	6.3
227.10640	8.0
229.08406	2.5
229.12242	5.2
231.11864	4.2
231.13853	6.0
233.13228	6.2
234.14024	4.3
235.11143	3.1
235.14812	6.9
237.12680	5.9
239.10757	2.8
241.12254	6.5
243.11795	4.2
243.13846	10.3
244.12462	4.2
245.13171	5.5
245.15298	10.2
246.14032	7.0
247.11223	2.8
247.14804	7.0
248.15524	3.3
249.12720	4.1
249.16405	15.0
251.14346	2.9
251.17908	7.0
257.13452	2.4
259.14737	7.8
260.11865	2.8
260.15637	4.2
261.12689	3.3
261.16376	8.4
262.13440	2.8
263.14325	3.5
263.17917	5.5
267.70926	2.6
270.13785	3.0
273.10956	4.2
273.14914	9.0
274.13489	4.5
275.14160	4.1
275.17786	2.4
277.15939	9.2
279.17410	4.3
285.16354	2.4
287.14453	4.8
289.15771	4.2
291.17361	9.2
293.15637	3.8
293.18777	3.1
295.17038	2.8
299.14005	2.6
301.15665	2.8
303.13806	3.2
303.17441	6.5
307.16833	3.7
309.18469	5.4
313.15805	3.5
317.15219	4.3
317.18909	3.8
319.16803	4.6
321.15002	2.3
321.18500	7.6
323.19971	3.2
324.20908	2.7
325.21594	2.7
331.16980	8.9
333.18536	2.3
335.19998	3.9
337.18079	4.2
345.18417	3.8
349.17868	7.5
351.19531	8.4
353.21036	6.4
355.13223	2.5
359.16193	5.7
363.19794	5.3
367.18845	2.2
369.20496	20.1
373.17999	5.0
375.14880	2.4
377.17267	3.3
381.20593	5.8
391.18939	12.2
395.18372	4.2
401.17197	3.1
405.20905	4.9
409.19986	14.6
419.18375	6.4
423.21634	6.0
429.11194	3.3
433.20227	4.5
437.19559	15.0
441.22568	6.4
451.25671	28.0
455.24524	2.7
465.22546	3.1
469.21341	14.1
473.28870	8.5
483.23743	3.6
501.24826	3.6
509.25150	8.2
551.26129	3.8
557.34485	2.7
569.27197	15.4
583.28943	5.0
601.29730	8.4
684.34296	6.4
719.31848	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	719.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89247	2.0
51.23674	2.0
53.03940	6.7
54.74669	1.9
55.01875	2.6
55.05512	38.7
57.03435	3.9
67.05502	17.0
69.03431	5.2
69.07057	2.8
71.04951	2.5
79.05494	14.4
81.03423	11.1
81.07051	15.9
83.04984	52.6
83.08626	2.9
84.05322	2.4
85.02908	4.9
86.17697	1.9
91.05476	21.7
93.07051	14.5
95.04956	15.6
95.08613	28.7
97.06521	3.3
98.49292	2.0
99.04450	2.2
103.05466	47.6
105.03394	16.4
105.04504	3.2
105.07030	28.4
107.04957	7.9
107.08574	9.7
109.06532	5.6
109.10159	4.0
115.05437	4.3
117.07014	7.9
119.04897	2.8
119.08574	20.9
121.06510	6.1
121.10130	4.9
123.08050	4.7
128.06218	6.7
129.07004	8.5
131.04932	100.0
131.08525	11.7
133.06461	10.8
133.10146	17.3
135.08069	10.0
136.06204	5.5
141.07034	4.5
142.07782	8.5
143.08559	16.1
145.06500	6.4
145.10121	16.5
147.07994	9.8
147.11688	4.4
149.05954	4.1
149.09619	4.2
151.07530	4.4
153.06985	2.7
155.08577	10.7
156.09348	9.9
157.06583	2.6
157.10118	25.8
159.08060	9.3
159.11690	7.3
161.06012	16.0
161.09613	7.4
163.07518	7.1
163.11154	6.3
165.07016	5.0
165.09134	2.3
166.07808	2.3
167.08537	3.5
168.09349	3.5
169.10132	16.7
170.10881	7.9
171.08060	14.1
171.11681	46.1
172.08778	4.0
172.12280	2.5
173.05963	2.6
173.09587	14.7
173.13293	3.5
175.07574	7.0
175.11217	2.8
175.21519	2.7
177.09119	4.7
179.07056	3.9
179.08504	4.5
180.09377	3.0
181.10152	7.1
183.08095	6.4
183.11694	35.0
184.08893	2.5
184.12375	2.9
185.09647	9.6
185.13261	24.7
187.07573	3.9
187.11198	3.4
189.09116	6.4
191.10620	3.7
193.08604	2.9
193.10175	6.8
193.12068	2.3
194.10970	3.4
195.11722	7.6
197.09651	8.4
197.13301	4.3
198.10403	2.9
199.07494	3.1
199.11171	17.1
201.09088	4.7
201.12788	6.2
203.10622	3.1
206.10881	3.7
207.11711	12.6
209.09621	5.8
209.13208	6.8
211.11136	13.2
213.09026	2.7
213.12732	25.0
215.10721	3.8
218.10852	3.1
219.11665	8.2
219.13538	2.3
220.12456	4.9
221.09746	4.3
221.13222	8.3
222.14020	2.6
223.11319	4.2
223.14886	6.3
227.10640	8.0
229.08406	2.5
229.12242	5.2
231.11864	4.2
231.13853	6.0
233.13228	6.2
234.14024	4.3
235.11143	3.1
235.14812	6.9
237.12680	5.9
239.10757	2.8
241.12254	6.5
243.11795	4.2
243.13846	10.3
244.12462	4.2
245.13171	5.5
245.15298	10.2
246.14032	7.0
247.11223	2.8
247.14804	7.0
248.15524	3.3
249.12720	4.1
249.16405	15.0
251.14346	2.9
251.17908	7.0
257.13452	2.4
259.14737	7.8
260.11865	2.8
260.15637	4.2
261.12689	3.3
261.16376	8.4
262.13440	2.8
263.14325	3.5
263.17917	5.5
267.70926	2.6
270.13785	3.0
273.10956	4.2
273.14914	9.0
274.13489	4.5
275.14160	4.1
275.17786	2.4
277.15939	9.2
279.17410	4.3
285.16354	2.4
287.14453	4.8
289.15771	4.2
291.17361	9.2
293.15637	3.8
293.18777	3.1
295.17038	2.8
299.14005	2.6
301.15665	2.8
303.13806	3.2
303.17441	6.5
307.16833	3.7
309.18469	5.4
313.15805	3.5
317.15219	4.3
317.18909	3.8
319.16803	4.6
321.15002	2.3
321.18500	7.6
323.19971	3.2
324.20908	2.7
325.21594	2.7
331.16980	8.9
333.18536	2.3
335.19998	3.9
337.18079	4.2
345.18417	3.8
349.17868	7.5
351.19531	8.4
353.21036	6.4
355.13223	2.5
359.16193	5.7
363.19794	5.3
367.18845	2.2
369.20496	20.1
373.17999	5.0
375.14880	2.4
377.17267	3.3
381.20593	5.8
391.18939	12.2
395.18372	4.2
401.17197	3.1
405.20905	4.9
409.19986	14.6
419.18375	6.4
423.21634	6.0
429.11194	3.3
433.20227	4.5
437.19559	15.0
441.22568	6.4
451.25671	28.0
455.24524	2.7
465.22546	3.1
469.21341	14.1
473.28870	8.5
483.23743	3.6
501.24826	3.6
509.25150	8.2
551.26129	3.8
557.34485	2.7
569.27197	15.4
583.28943	5.0
601.29730	8.4
684.34296	6.4
719.31848	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	719.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.4
67.05493	0.7
74.09727	1.7
76.86861	0.4
79.05479	0.6
81.07056	0.8
89.06080	0.3
91.05489	0.8
93.07052	0.8
95.08599	1.0
101.28151	0.3
118.06541	0.3
118.97652	0.3
126.12021	0.4
170.53456	0.3
195.09247	0.5
197.10692	0.4
199.70850	0.3
204.06660	0.5
210.11545	0.6
211.08882	0.4
211.12398	0.5
212.66692	0.4
221.10669	0.6
223.12375	1.4
224.13118	0.6
225.10356	0.7
225.13847	2.4
226.14709	0.5
236.13104	0.4
237.13942	1.3
238.14656	0.6
247.08661	0.4
249.10466	0.4
249.13928	1.3
251.08115	2.2
261.14313	0.4
263.62823	0.3
273.13885	0.4
275.15341	0.6
276.16156	0.4
289.23138	0.3
302.68988	0.3
309.08960	0.6
311.94098	0.3
314.12909	0.5
316.14700	0.6
328.14539	0.4
338.92557	0.4
340.14560	0.5
368.13794	0.6
387.16019	0.4
389.17999	0.8
391.18884	0.4
399.19638	0.5
403.15466	1.2
403.19977	0.7
404.20767	0.4
412.17215	0.5
415.15881	0.3
416.17395	0.5
417.16891	3.7
418.17758	2.1
419.18356	0.8
420.22858	0.3
429.17374	0.4
430.14047	0.5
431.18787	2.1
432.19650	2.4
433.20148	3.7
445.16516	1.3
446.21240	0.6
447.21942	9.6
448.22473	1.0
455.17853	0.3
459.22229	0.7
459.56573	0.3
460.18985	0.6
461.19342	0.8
462.20694	0.6
474.20581	1.0
475.21286	21.6
476.22064	5.3
489.22729	1.0
493.22134	0.6
503.20096	3.0
507.23981	1.2
515.20557	0.5
519.23883	1.0
520.22040	0.4
521.21136	0.6
529.22711	0.5
534.26276	0.8
535.23346	16.4
536.23560	0.7
547.23486	2.4
549.25140	1.8
561.25085	2.6
562.25739	5.0
563.26617	2.7
579.26178	0.8
590.25659	1.2
607.25110	1.3
621.27075	3.8
622.27863	100.0
623.28174	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	719.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26245	0.4
55.05446	0.4
67.05444	1.0
69.34433	0.8
69.34838	3.3
79.05437	0.9
81.06989	0.9
91.05379	0.8
92.38202	0.5
93.06977	1.1
95.04936	0.6
95.08542	0.6
105.06971	0.5
119.08485	0.7
120.08012	1.2
121.10076	0.5
134.09558	0.5
137.05910	0.4
144.08034	0.6
156.07982	0.5
167.07191	0.8
168.07979	1.1
179.06509	0.4
181.08777	0.8
182.09575	1.5
184.11172	1.0
192.03394	0.4
194.08028	0.9
195.09094	0.7
196.09634	0.6
196.11237	0.8
197.10640	0.6
204.06479	0.8
208.09731	0.7
209.10712	0.8
210.09151	0.8
210.11412	1.2
211.08539	1.2
211.12119	0.9
222.11488	0.6
223.08522	1.8
223.12209	1.6
223.69690	0.5
224.12921	0.9
225.10115	1.6
225.13844	2.5
226.14491	1.1
227.19893	0.5
234.11383	0.5
235.08617	0.7
235.12146	1.1
237.10155	1.2
237.13803	1.3
238.14595	0.6
239.08073	0.5
239.15302	0.6
249.10068	1.5
249.13799	0.9
251.08192	2.1
251.11716	0.7
253.13364	0.6
263.07733	0.4
265.09537	0.7
265.13245	1.9
272.20096	0.5
273.13736	0.7
275.15262	0.6
276.20175	0.5
277.05911	0.5
277.09698	0.8
285.13434	0.5
286.32968	0.5
287.15305	1.0
289.16910	0.6
303.18448	0.6
311.10162	0.5
313.16727	0.5
314.12863	0.9
315.14148	0.5
326.12979	0.6
328.14517	0.8
337.11752	2.1
338.12964	0.7
340.14465	0.6
342.16055	1.0
354.16107	0.8
356.13922	0.6
358.15646	0.5
370.15509	0.5
384.17352	0.8
388.17160	0.6
389.18088	1.1
398.15076	0.7
402.15060	0.6
402.19754	0.6
403.15567	1.8
406.21667	0.5
412.16425	0.6
415.16562	0.7
416.16995	0.6
417.16959	3.5
418.17645	2.2
419.18231	1.0
427.18750	0.6
430.19159	0.6
431.18643	1.6
432.19531	2.0
433.20169	4.7
434.20941	0.6
441.62006	0.5
442.18198	0.6
444.19714	0.9
445.16525	1.6
446.17114	0.7
447.21942	11.2
448.22238	1.5
458.21045	0.7
460.18173	0.9
461.19336	1.3
474.20633	1.0
475.21326	23.4
476.22116	5.0
477.22885	1.0
483.21960	0.6
489.22784	1.5
493.22382	0.8
497.23993	0.6
503.20593	3.4
507.24158	0.9
515.20862	0.6
519.23846	1.7
521.23352	0.7
534.26501	0.6
535.23401	18.3
536.23920	0.5
547.23657	2.8
549.25012	2.4
555.26672	0.5
561.25189	4.3
562.25720	3.1
563.26807	3.7
579.25732	0.7
590.25494	0.8
607.25452	0.9
621.27026	7.5
622.27881	100.0
623.28204	5.4
641.31262	0.9
669.30713	0.8
701.33362	61.8
702.33667	4.2
719.33649	0.7
733.40125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	0.7
68.34991	0.3
71.56728	0.4
79.05499	0.6
81.07056	0.8
88.28341	0.3
89.06054	0.4
91.05464	0.5
91.36419	0.3
91.68822	0.3
93.07048	0.4
95.08633	0.4
105.06968	0.3
107.08616	0.4
118.68811	0.3
120.08131	0.4
121.10196	0.4
129.78896	0.4
197.10757	0.5
207.09203	0.4
211.12340	0.6
212.13153	0.6
222.11467	0.4
223.08743	0.6
223.12347	1.2
224.13182	0.6
225.10268	0.9
225.13829	3.0
226.14738	0.9
234.11322	0.5
235.12401	0.7
237.10326	0.4
237.13939	1.4
238.14673	0.6
239.15521	0.5
247.12416	0.4
248.13173	0.4
249.10262	0.4
249.13905	1.0
251.08223	1.8
251.11824	0.3
270.13947	0.3
275.15359	0.5
309.08820	0.5
314.12979	0.5
340.14581	0.4
375.15836	0.4
389.18036	0.6
399.19458	0.5
403.14832	1.5
403.20108	0.5
404.15875	0.6
404.20767	0.4
405.20975	0.6
415.16104	0.6
416.16785	0.5
417.16962	3.5
418.17603	2.2
419.18430	0.7
427.19098	0.4
430.18567	0.3
431.19000	1.9
432.19330	2.3
433.20093	3.7
433.25287	0.3
445.15662	1.4
446.16971	0.8
447.21887	9.9
447.27734	0.5
448.22638	1.3
458.17557	0.5
459.17517	0.4
460.18585	0.6
461.19666	1.2
462.20886	0.4
474.20554	1.0
475.21280	22.7
476.22052	4.7
479.24509	0.6
488.22397	0.4
489.22702	1.5
493.22415	0.6
503.20334	3.0
507.23962	1.0
519.23981	1.1
520.23260	0.4
521.25299	0.4
534.25763	0.5
535.23358	15.8
536.23926	0.6
547.23486	2.7
549.25574	1.8
561.24927	1.8
562.25751	4.0
563.26495	3.3
579.26440	0.4
590.24988	0.8
607.25586	1.4
616.33435	0.5
621.27289	3.2
622.27863	100.0
623.28387	3.5
719.34186	0.4
719.48352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20546	0.2
65.69352	0.2
67.05511	0.2
69.06995	0.2
70.17062	0.2
70.18279	0.2
78.65733	0.2
78.85739	0.2
79.05494	0.3
81.07040	0.2
91.05488	0.3
91.80405	0.2
93.07050	0.5
94.06586	0.4
95.16293	0.2
107.08637	0.2
108.08126	0.2
112.24368	0.2
118.06535	0.4
120.08089	0.3
121.10077	0.2
135.11740	0.2
144.08002	0.2
158.09712	0.3
172.03961	0.3
173.10718	0.3
183.09196	0.3
184.10008	0.3
194.08325	0.2
195.09123	0.4
197.10768	0.4
204.06639	0.4
207.09196	0.2
208.09949	0.3
209.10779	0.8
210.11469	0.9
211.08757	0.4
211.12325	0.5
212.13113	0.3
213.10190	0.2
219.15385	0.2
221.10785	0.5
222.11496	0.6
223.08734	0.8
223.12248	1.4
224.13121	0.7
225.10336	1.0
225.13858	3.3
226.14622	1.0
234.11630	0.3
235.12366	0.7
237.10220	0.4
237.13870	2.1
238.14687	0.5
239.15474	0.5
245.10818	0.2
247.12367	0.5
249.10220	0.4
249.13861	1.3
251.08157	1.9
251.11800	0.6
261.13995	0.3
265.09851	0.2
265.13318	0.3
269.12909	0.2
273.13889	0.2
275.15350	0.4
276.16534	0.2
277.06113	0.3
282.13782	0.2
288.36172	0.2
299.10376	0.3
300.11530	0.4
301.12195	0.4
305.10251	0.2
307.14844	0.2
309.08704	0.6
310.13385	0.2
314.13010	0.6
316.14554	0.5
324.15048	0.2
326.16644	0.2
328.14557	0.3
337.12222	0.4
338.12964	0.5
339.13815	0.3
340.10779	0.2
340.14517	0.5
341.15277	0.2
342.12122	0.2
342.16171	0.2
350.12793	0.2
351.25125	0.3
352.14468	0.4
354.16107	0.2
356.14005	0.3
358.15543	0.2
366.16153	0.4
368.13950	0.7
370.15530	0.3
371.16351	0.2
374.16513	0.2
386.16434	0.2
387.16809	0.4
388.16977	0.2
389.17773	0.8
390.18661	0.6
394.15259	0.2
398.14871	0.2
399.19608	0.8
401.13977	0.3
402.14679	0.4
402.19547	0.3
403.14856	1.2
403.19543	0.7
404.15952	0.4
404.20142	0.6
405.21167	0.9
410.18472	0.2
412.16595	0.6
415.15897	0.3
416.16486	0.6
417.16962	3.9
418.17639	2.2
419.17856	1.2
419.23257	0.4
420.23071	0.2
421.24146	0.3
427.19589	0.2
428.16541	0.4
429.17526	0.5
430.13852	0.3
431.18906	2.3
432.19501	2.7
433.20099	4.8
434.21127	0.5
436.22940	0.2
440.16556	0.3
443.18698	0.5
444.19992	0.4
445.16733	1.4
445.21481	0.5
446.21243	0.7
447.21890	10.8
448.22604	1.0
455.18350	0.4
458.17950	0.6
459.17300	0.4
459.21909	0.9
460.18829	0.6
460.23758	0.2
461.19675	1.2
462.20602	0.7
473.20065	0.5
474.20374	1.4
475.21304	23.1
476.22070	4.8
477.22534	0.7
479.24585	0.5
487.21524	1.0
489.23428	1.1
490.21039	0.2
493.22400	0.8
502.20239	0.3
503.20276	3.5
504.21817	0.2
505.22668	0.3
507.24106	0.8
515.20752	0.4
517.22345	0.4
519.24445	1.3
520.22412	0.2
521.22131	0.8
522.22717	0.2
529.22119	0.4
533.22314	0.3
534.26172	0.7
535.23352	17.8
536.23694	0.8
547.23315	3.0
549.25067	2.0
551.26556	0.3
561.24994	6.3
562.25659	3.0
563.26599	3.0
579.25977	0.8
589.24292	0.6
590.25299	1.2
594.27942	0.3
607.25574	1.6
621.27124	10.6
622.27850	100.0
623.28204	4.4
701.33868	0.9
719.33533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84309	0.3
54.36315	0.3
55.05508	0.6
57.07063	0.4
59.65522	0.4
67.05490	1.0
69.07066	0.4
70.60639	1.0
72.53909	0.3
79.05531	0.8
81.03398	0.6
81.07076	1.1
91.05500	0.6
93.07073	0.7
95.04994	0.3
95.08598	0.8
97.06586	0.4
100.32465	0.4
100.58128	0.4
105.07024	0.7
110.24016	0.3
120.08116	1.1
133.10132	0.6
144.08072	0.5
146.06049	0.8
191.74153	0.3
200.95908	0.4
209.10716	0.5
210.40680	0.4
225.10353	0.7
227.20055	0.8
237.10336	0.8
237.13918	0.5
251.08109	0.4
251.11882	0.5
253.90807	0.4
265.09467	0.4
300.14755	0.5
301.12238	0.4
302.12848	0.7
310.13272	0.6
311.14044	1.0
313.27469	0.5
314.12924	0.5
316.14523	0.5
326.13092	0.9
328.14554	1.0
340.14575	0.8
341.15121	0.6
352.14059	0.5
354.15948	0.6
368.13562	0.6
370.15448	0.6
372.14304	0.5
380.94031	0.4
382.15500	0.5
386.14780	0.4
387.17142	0.4
388.16727	0.6
390.18414	0.9
391.19247	1.1
392.19806	0.4
404.20389	0.8
405.16528	0.9
405.20901	1.4
406.21948	0.5
407.22372	1.7
417.17224	1.6
418.17844	1.4
419.18130	2.9
419.23242	0.7
420.23666	2.0
431.18832	1.1
432.19437	1.9
433.20166	6.7
434.21173	2.8
435.21890	1.0
445.15961	0.5
445.20871	0.6
446.20956	1.9
447.22131	5.3
448.22690	4.2
449.23523	1.2
459.17731	0.7
460.18619	0.7
461.19049	2.5
462.20993	0.7
465.23035	0.6
474.20590	0.6
475.21008	4.1
476.22168	2.9
477.22824	3.0
493.21835	0.9
503.24164	0.5
505.22247	1.0
507.24149	1.3
519.24005	1.5
521.26208	4.9
533.22595	1.5
534.26379	3.5
535.26526	2.4
536.24390	1.5
545.25824	0.7
547.23700	1.4
561.24933	4.1
562.26025	2.3
563.26581	16.1
564.26648	0.6
565.24628	1.1
579.25922	1.6
590.24878	1.2
593.27606	0.8
594.28491	5.4
605.27869	0.9
607.25342	1.0
621.27075	6.2
622.27875	100.0
623.28168	4.4
719.33728	1.7
719.44818	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	719.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48265	0.3
69.49310	0.7
69.49717	1.6
70.06426	0.4
79.05534	0.3
86.92220	0.3
93.00214	0.3
120.08141	0.4
133.93503	0.3
146.06084	0.4
204.06602	0.6
208.09929	0.5
209.10875	0.7
210.11487	0.5
211.08722	0.6
211.12326	0.5
212.13100	0.3
221.10896	0.4
222.11636	0.5
223.08762	0.6
223.12366	1.5
224.13112	0.7
225.10298	1.2
225.13881	2.7
226.14606	0.6
235.12320	0.6
236.13120	0.5
237.10075	0.5
237.13895	2.1
238.14815	0.6
239.15327	0.4
247.08159	0.3
249.10251	0.5
249.13951	0.9
251.08171	1.1
251.11752	0.6
275.15530	0.5
283.10910	0.4
314.12851	0.4
338.12970	0.5
340.14508	0.5
342.16229	0.5
368.14059	0.7
371.20044	0.4
375.15482	0.4
389.13647	0.5
389.18011	0.5
390.18469	0.6
399.19711	0.5
403.15527	1.1
403.19992	0.9
405.21127	0.6
412.16696	0.5
415.16443	0.4
417.16837	3.1
418.17844	2.1
419.18234	0.7
419.23050	0.4
427.18884	0.5
428.16367	0.4
431.18872	1.7
432.19379	2.3
433.20230	4.0
445.16632	1.1
445.21347	0.5
446.21695	0.5
447.21954	10.1
448.22595	1.4
455.18414	0.5
459.22311	0.5
460.19009	1.1
461.18823	1.5
462.20743	0.4
474.20578	1.1
475.21323	22.1
476.22000	5.0
477.22891	0.9
487.21387	0.7
489.22675	0.9
501.23267	0.5
502.23502	0.9
503.20218	3.1
507.23914	1.0
517.22443	0.4
519.24103	1.9
520.21350	0.5
521.22552	0.5
533.22235	0.5
534.26276	0.5
535.23376	15.5
536.23584	1.1
547.23450	2.8
548.24036	0.5
549.25116	1.4
551.26965	0.4
561.24982	4.0
562.25763	4.1
563.26495	2.7
579.25763	0.6
590.24927	1.5
607.25525	1.6
621.27185	6.5
622.27881	100.0
623.28217	7.0
630.49048	0.4
655.64142	0.4
701.33337	1.4
719.34644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97017	0.4
55.05518	0.4
67.05508	1.8
69.07076	0.4
69.53980	0.7
69.54393	1.7
69.90103	0.3
77.32066	0.3
79.05514	0.9
81.07051	1.2
84.59000	0.4
91.05479	0.7
93.07066	1.2
95.08620	0.9
105.07049	0.5
107.08627	0.7
109.10139	0.4
120.08176	0.5
121.10178	0.9
182.08281	0.5
196.09892	0.5
197.10774	0.7
204.06506	0.4
207.09140	0.6
208.10016	0.4
209.10760	0.5
210.11613	0.8
211.12473	0.4
223.08850	0.7
223.12416	1.4
224.13129	0.7
225.10303	0.5
225.13878	3.0
226.14793	0.5
235.12399	0.6
236.13020	0.4
237.13821	2.0
238.14732	0.8
247.12399	0.4
249.13954	1.0
251.08321	1.7
251.12010	0.5
270.13675	0.5
275.15170	0.5
276.16107	0.4
277.21643	0.7
296.25140	0.4
309.08878	0.7
314.12881	0.5
328.14392	0.4
338.12897	0.4
340.14706	0.5
351.25336	1.3
366.16229	0.5
368.13983	0.5
368.17914	0.4
389.18030	0.5
390.18933	0.5
398.15057	0.4
403.15555	1.2
403.19949	0.4
405.20749	0.4
415.16513	0.5
417.16757	2.6
418.17459	2.1
419.18488	1.0
430.18817	0.7
431.19153	1.9
432.19580	2.8
433.20178	4.7
445.16611	1.5
445.21536	0.5
446.16705	0.6
447.21909	8.8
448.22479	1.4
458.18347	0.4
459.22769	0.6
460.19196	1.1
461.19659	1.1
474.20166	1.7
475.21317	23.3
476.22076	6.7
487.21384	1.3
489.22992	1.4
493.22110	0.5
503.20523	2.6
507.23633	0.7
515.21136	0.7
517.22253	0.5
519.24164	1.1
534.25891	1.1
535.23486	14.9
536.24176	0.5
547.23322	2.8
549.25067	1.3
561.24915	4.9
562.25903	5.0
563.26422	3.0
579.25684	0.5
607.25732	1.4
621.27118	11.3
621.36914	0.8
622.27887	100.0
623.28345	3.9
719.49731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02226	0.6
59.16927	0.5
60.94922	0.5
67.05496	1.8
69.07085	0.7
70.64492	0.5
71.55296	0.7
79.05492	1.1
81.07057	2.7
91.05498	0.8
93.07050	0.9
95.08630	2.2
97.10134	0.6
105.07068	0.6
113.25202	0.7
120.08137	0.8
121.10155	0.7
135.11661	0.9
145.10208	0.6
147.04430	1.2
158.09694	0.7
204.06674	0.6
220.09839	0.6
235.08609	0.7
237.10310	0.7
251.08319	1.0
251.11736	0.7
251.20146	1.2
252.20514	0.6
287.36142	0.6
309.12527	0.7
311.13940	1.4
314.13034	0.6
326.12946	0.8
328.14621	0.8
340.14551	0.8
354.12317	0.8
386.15854	0.7
390.18192	1.0
391.19498	0.8
401.17429	0.8
403.15167	1.0
403.19852	0.7
404.19882	0.8
405.21255	1.4
407.22488	1.3
417.17075	1.2
418.18018	1.6
419.18561	2.3
419.23230	1.2
420.23172	1.8
432.19342	1.2
433.20215	6.1
434.20950	2.5
435.21890	1.6
444.19650	0.8
446.21347	1.4
447.21936	5.7
448.22729	4.6
449.23343	0.9
461.19781	2.2
475.21130	5.6
476.22180	2.0
477.22736	1.9
491.20648	0.8
493.22525	1.0
505.22427	0.9
519.23651	1.1
521.25867	4.9
533.21295	0.7
534.26324	3.2
535.26147	2.1
545.25635	0.9
547.23511	1.8
561.25031	3.7
562.25812	2.9
563.26520	15.4
579.26294	0.8
590.24554	0.9
594.28424	4.6
607.25348	1.6
621.26923	5.8
622.27917	100.0
623.28497	3.9
701.33203	1.3
719.33490	1.7
719.44403	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	719.341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
55.05515	1.8
65.03957	0.5
67.05518	2.6
69.03434	0.8
69.07082	0.8
69.25387	3.0
69.25794	0.8
69.45068	0.5
69.69109	0.4
70.06607	0.5
71.05009	0.5
74.57575	0.4
79.05511	1.9
81.03430	1.7
81.07059	2.7
83.04982	2.0
85.02896	0.5
87.19923	0.4
87.70042	0.4
90.47102	0.4
91.05489	3.2
92.06290	0.4
93.07047	2.2
95.05000	1.9
95.08611	1.3
97.02876	0.5
103.05478	8.4
105.07035	3.9
107.08621	1.6
109.06524	0.8
109.10161	0.9
115.05432	0.7
116.07125	0.6
117.07039	1.8
119.08600	3.2
121.06521	0.8
125.09641	0.4
128.06331	0.7
129.07030	1.5
130.07800	0.7
131.04942	17.4
131.08598	1.9
132.05356	0.7
133.06456	0.5
133.10130	2.4
142.07794	1.1
143.08595	2.5
145.06502	1.6
145.10149	2.4
147.08073	1.3
147.11707	0.6
149.09633	0.7
155.08615	0.9
156.09409	1.3
157.10146	2.2
159.08109	1.1
159.11729	1.0
161.06073	0.5
161.09666	2.0
163.07597	0.8
165.07097	0.6
166.07872	0.6
169.10153	1.1
170.07344	0.4
170.11003	0.7
171.08076	1.5
171.11761	2.1
172.02884	0.4
173.09692	1.7
173.13332	0.5
175.11230	0.6
177.09116	0.5
181.10182	0.6
183.11729	1.4
185.09669	1.2
185.13335	1.2
187.11221	1.0
189.09076	0.4
193.10216	0.7
195.11797	1.2
197.09682	1.0
197.13403	0.7
199.07559	0.4
199.11205	1.2
201.09024	0.6
201.12926	0.6
203.08615	0.4
203.10802	0.5
207.11914	0.5
209.13322	0.7
211.11275	0.7
213.12776	5.6
219.11678	0.4
221.13387	0.7
231.13818	0.7
233.13280	0.9
241.12059	1.0
251.10484	0.8
259.15076	0.5
269.13199	0.6
273.15054	0.7
274.13681	0.4
275.20285	0.8
281.12924	0.8
285.16324	0.5
287.14606	0.5
304.18259	0.5
313.14087	0.9
314.14859	0.6
315.15656	2.4
321.18719	0.9
357.18536	1.2
359.20187	0.9
369.18723	1.2
372.68954	0.5
373.18069	0.6
387.19598	2.2
405.20670	2.2
415.20923	2.7
459.21805	0.7
557.34918	0.7
559.26782	6.3
637.22998	0.7
641.31250	0.6
659.31964	100.0
660.32300	5.1
719.32867	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.9
53.03945	2.9
54.86021	0.8
55.01868	1.3
55.05506	1.9
57.03430	0.9
67.05511	4.9
67.05869	0.9
69.03410	1.4
69.07070	1.9
69.78283	5.1
71.04991	1.4
77.03921	1.5
79.05513	4.8
81.03418	3.1
81.07063	5.1
83.04996	1.5
91.05479	7.1
93.07054	5.1
94.19950	1.0
95.04968	4.9
95.08617	4.6
97.02877	1.3
103.05479	48.6
104.05811	1.0
105.03387	1.6
105.04497	1.4
105.07048	9.1
107.04957	2.3
107.08600	4.7
109.06541	2.5
109.10173	3.1
111.04436	1.5
115.05457	2.3
117.07014	3.7
117.19196	0.9
119.08580	10.7
121.06554	2.1
121.10146	2.6
125.05916	1.0
128.06227	2.4
129.07008	3.8
131.04938	100.0
131.08565	6.9
133.06506	1.6
133.10124	11.4
135.08072	2.1
135.11725	0.9
141.07018	1.7
142.07794	2.3
143.08589	7.3
144.08107	1.1
144.09280	1.1
145.06511	3.5
145.10170	5.0
147.08023	4.9
147.11728	1.6
149.09656	2.2
154.07835	1.0
155.08530	2.7
156.09352	3.1
157.10146	7.6
159.08090	4.0
159.11710	3.8
161.05936	1.5
161.09612	3.6
163.07559	3.8
163.11159	1.4
165.07001	1.8
167.08606	2.0
168.09283	1.6
169.10173	3.6
170.10907	1.5
171.08009	2.2
171.11687	8.0
173.09669	4.9
173.13261	1.7
175.07550	1.4
175.11176	1.9
177.09134	1.7
179.08556	2.3
180.09378	1.6
181.10117	2.9
182.10921	1.5
183.08041	1.5
183.11688	5.7
185.09648	3.2
185.13284	3.2
187.07559	1.9
187.11214	3.2
192.09358	1.3
193.10172	2.4
195.11771	4.7
196.08887	1.2
197.09590	2.3
197.13292	3.2
198.10410	1.3
199.11188	6.6
200.12000	2.5
201.12718	1.7
205.08453	1.0
206.10931	2.0
207.11716	3.0
208.12524	1.1
209.09567	2.2
209.13281	2.3
211.11208	2.3
213.12753	4.3
215.14304	2.3
217.10260	1.5
219.11862	2.2
220.12358	1.0
221.13249	2.0
223.11275	1.7
223.14784	1.5
225.09128	1.6
225.12796	2.8
227.10625	2.3
229.10072	1.1
229.12222	1.2
230.10904	1.5
231.11699	2.3
232.12383	1.2
233.13309	2.1
235.11253	1.3
235.14757	1.3
239.10725	1.6
239.14326	1.5
241.12137	1.2
243.11794	1.4
243.13853	2.6
244.12444	1.2
245.13300	3.2
246.14093	0.9
247.14813	1.4
249.12772	1.8
249.16296	1.3
255.11650	1.6
256.12576	1.4
258.14136	1.3
259.14929	1.3
261.16519	1.8
271.14847	3.3
273.16391	1.3
274.17252	1.6
279.17130	1.0
285.16595	1.7
289.15875	2.8
291.17319	1.6
293.18826	1.4
299.14566	1.0
303.17538	2.3
304.18362	1.8
321.18393	2.0
322.19165	1.5
329.15363	2.5
333.18591	1.2
341.19144	2.3
343.16925	1.5
345.14847	1.4
345.18762	1.9
354.16330	1.5
357.18527	3.1
359.20135	5.7
363.19696	1.1
369.18594	5.2
375.19571	2.6
377.21158	2.6
387.15073	1.6
387.19653	15.6
387.24356	1.9
405.20703	14.6
423.21918	4.7
553.25677	1.7
571.27020	1.7
592.63824	1.0
617.45862	1.0
659.31769	2.7
719.41217	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.5
53.03954	11.9
53.04158	2.0
55.01874	4.0
55.05515	57.0
57.03440	4.6
59.84270	1.4
65.03961	2.3
67.05511	27.4
68.05846	2.8
69.03420	3.5
69.07062	6.5
73.02894	1.7
77.03933	2.3
79.05515	13.3
81.03410	9.1
81.07059	19.8
83.04990	75.6
83.08643	4.0
85.02916	1.9
85.06517	2.4
91.05490	22.7
93.07069	16.7
95.04975	14.5
95.08618	16.9
97.02876	2.4
97.06548	4.6
97.10154	2.8
103.05484	11.2
105.03406	100.0
105.04522	4.1
105.07039	26.4
107.04965	5.8
107.08563	14.5
109.02827	2.0
109.06517	5.3
109.10167	16.7
110.10498	2.8
115.05470	4.2
117.07026	10.7
117.07746	1.8
119.04942	1.8
119.08581	26.2
120.08946	2.0
121.06530	3.5
121.10134	9.1
123.08111	3.2
127.03876	1.7
128.06210	4.9
129.06985	4.5
131.04945	21.3
131.08566	14.7
133.06499	7.2
133.10152	21.9
133.21867	1.6
135.08075	6.8
135.11739	2.6
137.06029	2.4
141.06979	2.9
142.07759	6.4
143.04997	2.1
143.08588	11.0
145.06497	5.0
145.10123	12.8
147.08043	11.8
147.11697	4.3
149.05994	2.4
149.09599	8.8
153.07024	2.7
155.08571	7.5
156.09392	8.2
157.06569	4.0
157.10147	17.2
159.08173	8.1
159.11739	7.5
161.05983	6.9
161.09645	8.4
161.13197	1.8
163.07567	2.1
163.11237	5.9
165.06995	4.9
166.07794	1.9
167.08574	4.4
168.09323	2.3
169.10153	15.8
170.10854	7.7
171.08083	4.6
171.11699	26.8
173.09625	9.1
173.11826	3.6
173.13252	3.0
175.07556	5.9
175.11165	3.2
177.09071	3.4
179.08513	2.9
180.09346	2.5
181.10120	6.6
182.10886	2.1
183.08078	1.8
183.11725	24.7
184.08838	3.0
185.09642	5.2
185.13243	15.9
187.11198	5.2
189.09129	4.4
193.08607	2.5
193.10184	3.3
194.10808	2.0
195.11687	9.1
196.08926	1.7
197.09637	7.4
197.13269	6.6
198.10358	1.9
199.11186	14.1
201.09077	4.1
201.12766	3.5
203.10660	3.4
203.14247	1.7
206.10881	2.4
207.11725	7.4
209.09595	2.6
209.13295	4.6
211.11145	8.0
213.09178	2.4
213.12723	17.6
215.08545	2.4
215.10730	5.2
217.10353	2.2
217.12263	2.6
218.10962	2.1
219.09976	2.5
219.11896	3.6
221.13240	5.9
223.11203	5.8
223.14905	4.9
225.09215	2.3
225.12733	2.4
227.10686	3.5
227.12704	3.8
229.12242	6.2
229.14410	12.5
230.10976	3.5
230.14728	5.6
231.11830	3.1
231.13655	8.8
233.09618	3.4
233.13281	6.6
235.11259	3.2
235.14844	4.3
237.12851	3.7
239.10599	2.3
241.12230	5.3
242.10925	1.9
243.13908	3.3
244.12544	4.4
245.13475	8.0
245.15485	3.1
246.14111	2.8
247.11237	3.5
247.14900	6.7
249.12856	2.5
249.16451	5.0
251.14375	3.4
255.11676	3.0
257.13370	3.2
258.14160	3.3
258.32605	1.9
259.10999	3.1
259.13062	3.3
259.15137	3.3
260.15546	2.7
261.12766	3.6
261.16434	3.9
263.14304	2.6
269.13257	2.0
270.13968	2.0
271.14767	4.4
273.12570	3.5
275.10580	2.4
275.14380	2.4
275.20154	5.9
277.16040	3.9
281.15497	2.5
283.14908	2.2
285.12906	3.6
285.16400	4.6
287.14407	4.7
289.15860	3.8
291.13947	1.8
291.17276	2.8
297.16385	2.4
299.14404	4.0
301.15878	5.5
303.13889	2.1
303.17419	4.2
305.15756	2.2
307.13278	1.8
307.16742	2.1
311.19977	2.5
313.15549	2.0
315.13748	3.3
315.17300	3.8
317.15457	4.6
319.16882	5.7
320.17374	2.4
321.18634	2.6
329.15326	3.1
329.18912	3.7
331.16898	5.2
333.18463	2.4
337.18027	2.8
341.15445	3.0
343.16800	1.9
345.18484	4.9
347.16443	4.2
347.20047	3.7
349.18008	4.9
349.23718	3.0
357.18646	3.8
359.16418	6.9
360.17496	2.5
361.18082	4.2
363.19647	4.9
365.17441	2.8
365.21426	2.4
373.17892	10.4
375.19492	6.1
377.17572	7.4
379.19171	2.7
381.20670	2.7
383.16553	2.7
385.18658	1.9
389.17514	3.7
391.19064	15.1
393.20816	3.4
395.18506	2.4
401.17493	7.5
407.18503	6.7
409.20081	13.5
419.18619	32.8
423.27368	6.7
424.27823	6.6
433.20010	2.5
437.19601	27.4
455.20959	2.9
461.19131	2.2
469.22006	2.5
479.20444	3.9
497.21777	10.2
503.33725	3.2
504.34131	5.6
515.62115	2.0
557.34930	3.8
675.31360	6.5
677.28821	4.1
719.42303	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	719.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.8
53.03780	1.1
53.03954	10.6
55.01862	4.0
55.05515	45.4
57.03440	4.1
61.02904	1.4
65.03945	1.8
67.05506	20.0
69.03441	3.9
69.07081	7.2
71.04980	2.6
71.55492	1.8
75.82262	1.4
77.03931	3.1
79.05498	15.2
80.57156	1.4
81.03442	7.6
81.07060	17.5
81.36313	1.4
83.04985	71.0
83.08630	2.3
84.65862	1.6
85.02906	1.9
91.05492	17.2
92.05803	1.9
93.07068	10.9
95.04977	14.5
95.08602	12.1
97.02892	1.4
97.06509	2.1
103.05454	17.3
105.03400	100.0
105.04526	6.2
105.07043	19.0
106.07401	2.0
107.04971	3.5
107.08612	9.9
109.02888	1.8
109.06556	3.6
109.10168	12.9
115.05463	4.8
117.07040	10.8
119.08587	21.5
121.06511	4.5
121.10146	5.5
122.78493	1.5
123.04422	1.6
123.08082	1.8
125.09621	1.9
128.06212	4.4
129.07007	4.4
130.07802	2.1
131.04936	29.8
131.08566	13.1
132.05217	2.2
133.06494	7.9
133.10144	18.3
135.08099	6.9
135.11650	1.8
141.07011	2.3
142.07764	3.6
143.08568	10.4
144.09334	2.7
145.06514	5.6
145.10112	12.0
147.08047	10.7
149.06001	2.1
149.09631	6.0
151.07669	2.0
152.06221	1.6
152.47879	1.6
155.08586	5.5
156.09344	7.0
157.10143	14.4
159.08057	7.9
159.11690	5.3
161.06000	4.9
161.09679	7.3
163.07481	3.3
163.11189	3.1
165.07014	2.9
167.08623	2.5
168.09338	2.2
169.05074	2.1
169.06441	2.0
169.10191	10.9
170.10936	6.5
171.08049	5.5
171.11681	22.9
173.09615	6.9
173.11760	2.4
173.13152	1.7
175.07573	3.5
175.11151	2.5
177.09102	3.3
179.07054	2.2
179.08548	3.0
180.09282	1.7
181.10110	4.2
182.11049	1.5
183.08067	3.3
183.11681	23.3
184.08823	1.7
185.09615	9.7
185.13268	13.0
187.07564	1.8
187.11160	6.2
189.09108	2.1
191.10683	2.9
192.09450	2.2
193.08574	1.5
193.10129	4.6
194.10773	2.3
195.11708	6.2
196.12523	1.8
197.09657	5.9
197.13274	4.2
198.10371	1.6
199.11189	13.1
200.11842	1.7
201.09122	2.1
201.12840	4.3
203.10620	2.3
205.08528	1.9
205.10236	2.4
206.10922	4.0
207.06525	1.6
207.11708	5.4
208.12471	2.3
209.09602	3.6
209.13229	4.0
210.10306	1.7
211.11169	4.7
213.09085	2.2
213.12785	11.4
214.13116	2.1
215.10710	3.4
217.10277	2.6
217.12169	2.5
218.10953	2.2
219.11772	3.8
220.12436	2.7
221.13263	3.8
223.11206	4.0
227.10736	3.2
227.12785	3.1
229.10361	1.8
229.12270	5.3
229.14389	10.5
230.10875	2.1
230.14606	2.6
231.11650	4.3
231.13861	6.5
232.12544	2.4
233.13271	5.7
234.10371	1.7
234.13916	3.1
235.14806	3.5
236.11932	2.5
237.12767	3.0
241.10086	1.5
241.12314	5.0
242.10896	2.0
243.11713	4.6
243.13918	3.0
244.12486	5.4
245.13272	5.3
246.14000	2.4
247.11177	3.3
247.14886	4.9
249.12894	2.4
249.16533	3.3
251.14316	2.7
253.12260	1.8
255.11731	2.6
257.13248	4.5
258.14075	5.3
259.13181	4.2
260.11887	2.6
260.15625	1.9
261.12744	2.6
261.16589	2.4
262.13580	2.1
263.14490	3.4
270.13953	3.0
271.11014	1.9
271.14847	3.0
272.11996	1.8
272.15604	2.3
273.12796	3.6
273.16263	4.5
274.13287	2.2
275.14584	3.4
275.20236	2.1
277.15915	3.2
281.15604	2.7
283.15173	2.1
285.12747	2.2
285.16208	2.2
287.14383	3.0
289.15826	3.2
291.17181	2.6
298.13571	2.5
299.14377	2.9
300.14914	1.8
301.15833	4.1
303.17471	4.6
305.15289	1.7
313.15933	2.7
315.13904	2.7
315.17395	4.2
317.15182	2.3
317.18887	2.5
319.16830	4.4
321.18723	2.1
327.17447	2.7
329.15359	2.7
329.19034	2.3
331.16876	5.2
333.18454	5.4
337.17905	3.8
343.16843	2.5
345.18643	7.2
347.16476	4.0
347.20126	2.7
349.18103	2.5
355.16965	2.9
359.16574	4.1
360.17270	2.1
361.18008	4.9
363.19730	6.8
365.21417	2.0
373.18112	11.3
375.19553	7.6
377.17496	6.5
379.19193	2.1
381.21036	1.8
383.16251	2.5
391.18973	13.4
393.20532	2.6
395.18665	2.4
401.17398	9.2
407.18710	3.1
409.19968	9.3
419.18518	32.3
423.27472	3.2
424.27777	2.6
435.21396	2.2
437.19656	31.6
455.20377	2.0
469.22162	1.8
479.20706	4.2
497.21680	6.5
503.34030	2.4
504.34128	3.9
522.65521	1.5
539.33917	1.6
557.34515	2.5
579.26147	2.2
619.25250	2.4
675.31091	4.2
677.29498	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.4
51.55991	1.9
53.03943	8.9
55.01874	2.8
55.05518	32.2
67.05494	6.8
69.03423	4.9
69.07066	3.8
69.19199	5.0
69.19604	20.6
74.09718	9.5
77.03936	2.9
79.05477	11.6
81.03400	7.3
81.07048	8.1
83.04991	47.4
84.04514	2.4
85.02918	2.8
91.05492	23.3
93.07035	13.0
95.04950	13.4
95.08630	9.0
97.06493	3.3
99.56188	2.2
103.05453	18.3
105.03394	100.0
105.04513	5.8
105.07036	28.8
106.03755	2.6
107.04913	2.8
107.08624	7.6
109.06495	4.2
109.10179	3.1
111.76199	2.7
115.05464	7.4
116.06265	3.8
117.07041	12.4
119.04929	2.7
119.08595	25.2
121.06547	3.0
121.10172	5.3
123.08112	4.6
128.06288	4.7
129.06993	4.7
131.04930	21.0
131.08568	13.9
133.06483	12.0
133.10146	18.8
135.08055	7.8
141.06970	4.7
142.07817	7.9
143.08617	13.2
145.06519	7.9
145.10110	11.7
147.08041	15.8
147.11685	3.7
149.09634	8.3
155.08559	9.2
156.09338	14.3
157.10133	22.9
158.10452	2.5
159.04442	4.2
159.08084	7.7
159.11728	10.4
161.06003	19.0
161.09631	9.6
163.07552	3.5
167.08585	5.6
168.09328	4.4
169.10135	16.4
170.10941	6.5
171.08064	9.4
171.11711	35.7
172.08804	3.6
172.11974	3.7
173.05969	6.9
173.09650	10.8
175.07562	9.4
175.11172	4.1
177.09135	4.7
179.07059	2.4
179.08585	3.6
181.10138	4.7
183.08086	4.7
183.11685	34.8
184.08887	3.4
185.09633	8.7
185.13216	22.0
187.07542	3.1
187.11198	9.9
189.05518	7.0
189.09058	5.4
191.10660	4.0
193.10181	5.5
195.11707	10.5
197.09683	5.2
197.13318	7.0
198.10414	5.5
199.07500	2.9
199.11186	22.5
200.11938	3.6
201.09106	4.8
201.12863	3.9
203.10721	3.8
206.10771	2.7
207.06599	3.1
207.11720	8.6
209.09706	2.9
210.10158	2.3
211.07600	4.2
211.11145	4.9
213.09206	5.2
213.12718	20.4
215.10759	5.1
217.08615	7.2
217.12173	3.1
218.10912	2.5
219.11775	4.5
220.12561	3.4
221.13332	6.8
223.11252	3.5
229.12241	8.8
230.10890	5.1
231.11841	3.8
231.13802	17.1
232.12492	2.8
233.09656	3.9
233.13335	4.3
235.11171	5.2
237.12732	3.1
241.12276	8.5
243.11755	3.5
244.12514	4.6
245.13367	5.1
245.15576	3.0
247.14973	4.0
249.12755	2.8
253.10109	2.9
255.11852	4.3
256.12692	3.0
257.13507	2.9
258.14139	4.2
259.10977	3.5
259.13382	7.5
261.16302	2.5
263.14548	3.4
269.13263	6.3
270.13995	5.0
270.89307	2.6
271.11600	2.6
271.14642	4.5
272.12149	2.8
272.15390	2.6
273.12659	3.9
273.16177	3.1
274.13678	2.7
277.12375	2.8
281.12872	2.4
283.15118	2.9
284.15549	3.1
285.12778	3.1
285.16531	7.1
287.14288	6.6
297.12625	4.8
298.13626	6.3
299.18069	3.3
303.13974	2.9
303.17374	5.2
312.15012	3.3
313.12131	3.8
313.15933	7.5
315.13766	3.5
315.17529	5.0
317.18964	3.4
327.17477	4.5
331.13370	3.3
331.16919	8.3
341.15375	5.3
343.16782	3.6
345.18500	8.7
349.17984	3.0
355.16913	6.7
357.18323	3.9
359.16495	7.7
361.18042	3.4
371.16599	3.2
373.18008	20.6
375.19305	3.7
377.17389	8.1
383.16440	8.8
389.17688	5.4
391.19089	16.0
401.17593	30.2
406.03967	2.8
407.18378	3.2
409.20645	5.3
419.18518	55.3
437.19437	19.0
479.20395	9.8
497.21313	5.8
557.34338	3.3
719.31299	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	719.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.3
53.03934	2.6
55.01859	2.1
55.05518	3.5
55.99575	0.5
57.03414	0.8
62.99258	0.5
64.38105	0.6
67.05495	2.4
69.03414	1.3
69.07068	0.8
71.04991	0.8
71.55405	0.9
72.21667	0.6
77.03959	1.0
79.05492	3.5
81.03413	1.9
81.07058	2.4
83.04977	4.7
85.06529	0.8
91.05481	7.2
93.07056	3.3
93.07553	0.7
95.04973	5.2
95.08613	1.8
97.02895	1.0
103.05473	44.9
104.05785	0.6
105.03413	3.1
105.04481	1.1
105.07039	10.1
107.04966	1.3
107.08616	3.3
109.06532	2.1
111.04446	0.7
115.05455	2.3
117.07023	3.9
119.08576	10.4
119.09361	1.0
121.06546	2.3
121.10135	0.7
123.04495	0.7
123.08102	1.2
128.06233	1.5
129.07011	2.1
130.07779	0.6
131.04933	100.0
131.08575	3.8
132.05264	1.8
133.06483	4.2
133.10132	2.9
135.08041	2.4
137.09700	0.6
140.74828	0.6
141.06984	1.5
142.07767	1.9
143.08546	5.9
145.06487	2.5
145.10138	4.5
146.06920	0.6
147.08089	4.0
147.11729	0.7
149.06001	1.3
149.09656	1.9
151.07530	0.7
153.06996	0.9
154.07739	0.6
155.08577	2.7
156.09314	1.9
157.10132	8.2
158.07254	0.8
158.10835	0.9
158.70476	0.6
159.08054	3.8
159.11694	7.6
161.05983	8.0
161.09630	2.9
163.07561	4.9
165.06917	0.6
167.08536	1.2
168.09348	1.5
169.06479	0.8
169.10143	5.9
170.10936	1.5
171.08089	1.9
171.11714	6.3
172.08852	1.0
173.06007	0.9
173.09651	4.3
173.13280	2.3
175.07574	2.2
175.11153	0.9
177.09119	2.4
178.07762	1.1
179.07047	1.3
179.08563	0.9
180.09364	0.8
181.10161	2.0
182.10919	0.9
183.08157	1.0
183.11700	18.1
184.08687	0.7
184.12125	1.4
185.06081	0.5
185.09619	2.6
185.13287	3.1
187.07521	1.7
187.11174	4.1
189.05505	1.7
189.09102	4.6
189.12704	0.7
191.07036	1.0
191.08649	0.7
191.10751	1.2
192.09348	0.8
193.10139	1.8
194.10832	0.7
195.08099	1.0
195.11711	2.6
196.08864	0.9
197.09703	3.1
197.13339	1.5
198.10394	1.0
199.07542	0.7
199.11238	4.4
200.11896	0.6
201.09157	1.5
201.12766	4.5
205.10181	1.1
205.12141	0.6
206.10924	1.4
207.11766	3.0
208.12457	1.2
209.09668	1.9
209.13266	2.2
211.11179	4.5
213.09119	2.1
213.12762	2.6
215.10660	1.5
217.08437	0.9
217.10271	1.1
217.12175	1.2
219.11739	2.0
220.12489	1.4
221.09718	0.9
221.13295	3.6
222.14021	0.7
223.11206	1.7
227.10695	2.1
229.08502	0.9
229.12234	3.4
230.10927	0.8
231.11678	1.9
231.13721	0.9
232.12460	1.9
233.13313	3.8
233.15428	1.4
234.14079	1.0
235.11165	1.3
235.14880	1.2
237.08983	0.7
237.12790	1.6
237.16475	0.9
239.10667	1.4
239.14481	0.7
241.12270	1.0
242.10922	0.7
243.11763	1.0
243.13771	2.7
244.12485	1.3
245.13222	1.7
245.15430	0.9
246.14095	1.3
247.11176	1.0
247.14919	5.1
248.15648	2.1
249.12833	0.8
249.16342	1.1
251.14304	1.2
253.12328	0.7
257.13403	1.1
258.13943	1.0
259.14914	1.9
260.15463	0.8
261.12631	1.0
261.14795	1.1
261.16873	0.9
263.14304	1.2
265.16013	0.7
267.13824	0.9
269.13382	1.0
270.14059	1.1
271.13416	1.6
272.11832	0.7
273.12411	0.8
273.16345	0.8
275.14572	1.3
279.13916	0.8
283.14575	0.6
285.16360	1.2
287.14322	1.4
289.12112	0.9
289.15808	0.7
290.16592	1.0
301.15784	0.6
302.16531	0.7
303.14148	0.7
303.17657	1.1
307.16870	1.4
308.17654	0.7
313.15732	1.0
315.13742	0.8
317.15436	1.1
317.19037	1.0
321.18524	2.9
322.19229	1.3
327.17450	1.5
329.15182	1.3
331.16837	6.1
332.17624	0.8
333.18744	1.2
339.19681	1.3
341.15274	1.2
343.17096	0.9
345.18503	5.9
347.16205	0.8
349.17987	2.1
355.16956	2.5
357.14368	0.9
359.16336	1.9
363.19647	1.6
367.18887	0.7
373.13513	0.6
373.18039	6.9
377.17416	1.4
383.16354	0.7
391.18994	2.8
397.00015	0.6
401.17300	2.9
405.20740	6.5
419.18658	3.0
423.21722	1.5
433.20370	4.8
437.19669	1.5
451.21130	2.3
469.22699	0.7
505.18021	0.6
542.31171	1.0
553.20251	0.9
719.35760	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.7
53.03958	2.3
55.01868	1.2
55.05515	2.1
55.12660	0.3
67.05506	1.2
69.03427	0.9
69.07076	0.5
71.04980	0.5
77.03942	1.1
79.05486	2.3
81.03416	1.4
81.07056	1.3
83.04989	3.3
85.02922	0.5
91.05490	3.6
93.07035	2.2
95.01339	0.4
95.04981	4.7
95.08625	1.6
97.06541	0.6
102.04622	0.4
103.05478	46.6
104.05802	0.5
105.03410	1.2
105.04518	1.1
105.07031	5.2
107.04975	0.8
107.08596	0.9
109.02875	0.7
109.06530	1.2
115.05465	1.5
117.07018	2.3
118.37484	0.5
119.04956	0.7
119.08585	2.7
121.02838	0.4
121.06557	1.3
123.04417	0.8
123.08120	0.7
128.06212	2.3
129.06985	1.8
130.07787	0.5
131.04941	100.0
131.08575	2.3
132.05270	0.8
133.06499	3.9
133.10146	1.2
135.08052	1.5
137.05991	0.6
141.07016	1.5
142.07803	0.7
143.08588	4.0
145.06474	2.1
145.10123	1.2
147.08055	1.6
149.05988	1.7
151.07576	0.9
153.06961	0.5
155.08582	1.5
156.09354	1.6
157.06470	0.5
157.10121	2.2
158.07304	0.9
159.04456	0.5
159.08069	2.6
159.11713	0.9
161.05994	8.6
161.09631	1.1
163.07547	1.7
165.07040	0.6
167.08553	1.1
169.06508	0.9
169.10173	1.9
171.08064	2.5
171.11716	3.0
172.08847	0.5
173.05994	1.1
173.09669	1.3
173.13316	0.6
175.07584	1.3
177.05511	0.7
177.09081	0.5
179.07039	0.8
179.08595	1.0
181.10118	1.8
183.08055	1.0
183.11740	1.6
184.08829	1.9
185.05968	0.8
185.09634	1.8
185.13322	0.7
186.10388	0.4
187.07532	1.3
187.11223	0.9
189.05498	0.5
189.09134	1.9
192.01830	0.4
193.10156	0.9
195.08090	0.9
195.11845	0.8
197.09708	2.6
197.13353	0.5
198.10371	0.8
199.07588	1.4
199.11209	6.1
201.09143	1.4
201.12804	0.7
203.08659	0.6
203.82028	0.4
205.08614	1.2
206.10966	0.6
207.11723	1.3
209.09686	2.5
209.13202	0.6
211.11177	1.0
212.08270	0.6
213.09125	1.4
213.12773	0.9
215.07007	0.8
215.10721	0.9
217.08521	2.7
221.05885	0.4
221.09521	0.4
223.11208	0.8
225.09099	1.2
225.12831	0.4
227.07082	0.7
227.10675	5.2
229.08551	0.7
229.12311	0.5
230.10786	0.6
233.08102	1.0
233.13202	0.6
235.09644	1.2
235.11623	0.6
237.09106	1.1
239.10675	0.5
243.11929	0.6
245.11847	1.1
246.10501	0.4
247.11299	0.6
248.11789	0.5
249.12750	0.8
251.10649	0.5
255.10080	2.1
256.12424	0.4
258.13733	0.5
259.11313	0.4
261.12640	0.7
263.13873	0.4
265.12357	0.6
273.11160	2.6
275.10696	0.4
276.14752	0.4
285.12683	0.6
287.14343	0.6
289.15778	0.5
291.13501	0.5
293.11819	0.4
301.12250	0.6
301.15930	0.7
303.13928	0.4
305.15302	0.6
311.12671	0.4
317.15186	0.6
329.14221	0.7
345.14716	0.6
347.15848	0.5
357.13553	1.2
359.16345	1.1
369.15030	0.6
373.14047	0.6
375.14758	1.7
377.17316	0.8
387.15900	1.5
391.15274	0.5
403.15570	0.7
405.16992	1.4
415.15497	0.9
421.16150	0.5
423.18042	0.5
433.16461	2.4
451.17462	3.1
469.18701	0.6
477.18997	0.7
505.19250	0.9
507.20255	0.6
535.19507	2.8
553.20752	2.5
557.34515	0.4
571.21478	0.9
683.24829	0.9
701.26019	2.5
719.28442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.9
55.01872	4.2
55.05267	1.6
55.05515	23.2
57.03448	10.2
59.04989	4.4
61.02921	4.5
65.03933	3.3
67.05509	100.0
69.03420	5.6
69.07074	17.9
70.94878	1.2
71.04990	5.7
73.02918	1.5
77.03954	1.8
79.05498	30.6
81.03411	6.3
81.06583	2.0
81.07066	38.5
83.04984	25.4
83.08627	10.8
85.02906	3.9
85.06532	3.1
88.47010	1.3
91.04974	2.0
91.05491	27.7
93.07050	26.8
95.04976	9.6
95.08612	19.8
97.02873	4.4
97.06542	10.0
97.10138	7.6
101.02378	3.4
103.05474	51.7
105.03411	8.7
105.04541	2.8
105.07043	25.7
107.04951	5.5
107.08594	24.8
109.06512	6.5
109.10168	68.8
111.08076	6.8
115.05430	2.7
117.07027	11.1
119.04984	2.0
119.07278	1.4
119.08595	28.5
120.08897	1.9
121.06501	6.0
121.10165	10.9
123.04415	1.7
123.08089	8.7
123.11745	2.4
125.09624	6.6
127.03934	3.1
128.06213	3.4
129.07001	6.1
130.07803	1.9
131.04938	89.6
131.08568	14.6
132.05260	2.8
133.06479	5.1
133.10132	17.8
135.08069	10.7
135.11684	6.4
137.05925	1.9
137.09610	5.6
141.07002	3.5
142.04953	2.3
142.07794	3.2
143.08565	11.1
143.50558	1.4
145.06480	6.4
145.10124	22.3
147.08044	10.3
147.11708	7.3
149.09648	10.7
149.13286	3.4
151.11165	2.1
153.06999	2.6
155.08551	5.6
155.10677	5.9
156.09338	5.3
157.06424	1.8
157.10135	12.6
159.08078	9.2
159.11699	9.9
161.05960	4.1
161.09633	7.9
161.13289	2.8
163.07539	12.6
163.11177	10.3
167.08597	2.9
169.10141	9.7
170.10860	5.3
171.08022	9.1
171.11713	19.1
172.08850	1.6
172.12061	1.5
173.04456	2.5
173.09636	9.4
173.11736	16.7
173.13261	5.4
175.07518	2.2
175.11188	4.3
177.05388	2.2
177.09204	2.4
177.12749	2.0
179.08598	2.6
179.10573	2.0
179.14369	2.3
181.10133	4.1
182.10939	2.2
183.08055	2.7
183.11719	23.7
184.08836	2.3
184.12329	3.1
185.09654	9.0
185.13240	12.8
187.11142	4.4
187.14818	1.5
189.09213	2.9
189.11159	4.7
189.12694	2.5
191.07170	1.8
191.10568	1.9
193.10193	2.9
195.11717	4.7
195.13763	3.0
196.12529	1.5
197.09589	3.2
197.13191	5.4
198.10349	5.7
199.07623	2.1
199.11211	10.9
200.11885	2.4
201.09081	3.8
201.12714	3.3
203.10762	1.6
205.12239	3.3
206.10876	2.6
207.11678	4.6
209.09694	2.0
209.13226	4.9
211.11212	9.6
213.09180	3.2
213.12758	36.2
214.13249	1.6
215.10638	4.0
217.12070	1.9
219.11790	2.9
220.12343	2.5
221.13242	5.0
223.11166	3.9
223.14813	2.8
224.11769	1.6
225.12735	3.4
226.09805	1.9
227.10739	2.2
227.12781	19.5
229.12404	2.8
229.14355	72.6
231.10097	4.4
231.13788	2.8
233.13402	2.2
234.13986	4.0
235.11195	1.9
235.14769	5.0
236.11754	2.3
237.12744	5.3
239.14265	3.4
239.17975	2.1
243.13834	2.6
244.12354	2.3
245.13263	2.6
245.15417	3.5
247.14871	3.1
249.12633	3.9
249.16310	6.8
251.14316	2.7
255.11662	1.7
255.15971	3.5
257.13290	2.4
257.19052	6.6
258.14160	2.4
259.10892	1.5
259.15118	3.1
261.12741	2.5
261.16409	2.2
263.14365	2.6
265.11996	1.8
265.15817	4.2
267.13803	2.2
267.17490	5.4
269.17526	9.7
271.15308	1.7
273.14801	19.9
274.12244	1.5
275.12991	1.6
275.17822	2.2
275.20151	24.2
276.15134	1.7
277.15930	8.0
279.17426	1.6
285.16196	2.1
286.13641	1.6
286.17014	1.5
287.14386	2.4
287.18088	2.0
289.15790	2.0
291.17334	5.8
293.15201	1.5
295.16953	9.2
299.14276	2.7
301.15814	3.9
303.17264	1.8
307.16776	2.1
309.18500	10.7
313.15683	2.6
314.16708	1.6
315.17288	3.2
319.16983	7.3
331.16821	3.9
331.22714	2.5
333.17853	1.9
337.18042	12.3
343.16873	1.6
345.18512	2.0
349.23788	23.3
351.19559	3.8
357.18423	2.8
359.16174	2.1
361.18033	4.2
369.20663	31.3
373.18256	2.7
374.18146	2.2
387.21585	2.3
391.19196	3.3
399.23904	6.4
401.17456	4.4
403.19070	2.2
407.27924	1.9
409.20584	2.3
409.25873	14.7
416.19806	2.2
418.20154	3.8
419.18640	4.9
421.19867	2.2
423.27441	54.8
424.27606	3.1
429.22809	21.2
434.20966	3.2
435.21643	1.8
437.19516	4.0
450.22342	2.5
451.21289	3.5
452.21436	2.0
467.24500	1.7
492.23569	7.7
497.21832	2.1
503.33679	46.3
510.24722	13.3
521.34515	7.6
567.31042	3.8
570.27179	12.1
664.49817	1.9
667.34674	2.3
718.31860	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	718.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.9
55.01872	4.2
55.05267	1.6
55.05515	23.2
57.03448	10.2
59.04989	4.4
61.02921	4.5
65.03933	3.3
67.05509	100.0
69.03420	5.6
69.07074	17.9
70.94878	1.2
71.04990	5.7
73.02918	1.5
77.03954	1.8
79.05498	30.6
81.03411	6.3
81.06583	2.0
81.07066	38.5
83.04984	25.4
83.08627	10.8
85.02906	3.9
85.06532	3.1
88.47010	1.3
91.04974	2.0
91.05491	27.7
93.07050	26.8
95.04976	9.6
95.08612	19.8
97.02873	4.4
97.06542	10.0
97.10138	7.6
101.02378	3.4
103.05474	51.7
105.03411	8.7
105.04541	2.8
105.07043	25.7
107.04951	5.5
107.08594	24.8
109.06512	6.5
109.10168	68.8
111.08076	6.8
115.05430	2.7
117.07027	11.1
119.04984	2.0
119.07278	1.4
119.08595	28.5
120.08897	1.9
121.06501	6.0
121.10165	10.9
123.04415	1.7
123.08089	8.7
123.11745	2.4
125.09624	6.6
127.03934	3.1
128.06213	3.4
129.07001	6.1
130.07803	1.9
131.04938	89.6
131.08568	14.6
132.05260	2.8
133.06479	5.1
133.10132	17.8
135.08069	10.7
135.11684	6.4
137.05925	1.9
137.09610	5.6
141.07002	3.5
142.04953	2.3
142.07794	3.2
143.08565	11.1
143.50558	1.4
145.06480	6.4
145.10124	22.3
147.08044	10.3
147.11708	7.3
149.09648	10.7
149.13286	3.4
151.11165	2.1
153.06999	2.6
155.08551	5.6
155.10677	5.9
156.09338	5.3
157.06424	1.8
157.10135	12.6
159.08078	9.2
159.11699	9.9
161.05960	4.1
161.09633	7.9
161.13289	2.8
163.07539	12.6
163.11177	10.3
167.08597	2.9
169.10141	9.7
170.10860	5.3
171.08022	9.1
171.11713	19.1
172.08850	1.6
172.12061	1.5
173.04456	2.5
173.09636	9.4
173.11736	16.7
173.13261	5.4
175.07518	2.2
175.11188	4.3
177.05388	2.2
177.09204	2.4
177.12749	2.0
179.08598	2.6
179.10573	2.0
179.14369	2.3
181.10133	4.1
182.10939	2.2
183.08055	2.7
183.11719	23.7
184.08836	2.3
184.12329	3.1
185.09654	9.0
185.13240	12.8
187.11142	4.4
187.14818	1.5
189.09213	2.9
189.11159	4.7
189.12694	2.5
191.07170	1.8
191.10568	1.9
193.10193	2.9
195.11717	4.7
195.13763	3.0
196.12529	1.5
197.09589	3.2
197.13191	5.4
198.10349	5.7
199.07623	2.1
199.11211	10.9
200.11885	2.4
201.09081	3.8
201.12714	3.3
203.10762	1.6
205.12239	3.3
206.10876	2.6
207.11678	4.6
209.09694	2.0
209.13226	4.9
211.11212	9.6
213.09180	3.2
213.12758	36.2
214.13249	1.6
215.10638	4.0
217.12070	1.9
219.11790	2.9
220.12343	2.5
221.13242	5.0
223.11166	3.9
223.14813	2.8
224.11769	1.6
225.12735	3.4
226.09805	1.9
227.10739	2.2
227.12781	19.5
229.12404	2.8
229.14355	72.6
231.10097	4.4
231.13788	2.8
233.13402	2.2
234.13986	4.0
235.11195	1.9
235.14769	5.0
236.11754	2.3
237.12744	5.3
239.14265	3.4
239.17975	2.1
243.13834	2.6
244.12354	2.3
245.13263	2.6
245.15417	3.5
247.14871	3.1
249.12633	3.9
249.16310	6.8
251.14316	2.7
255.11662	1.7
255.15971	3.5
257.13290	2.4
257.19052	6.6
258.14160	2.4
259.10892	1.5
259.15118	3.1
261.12741	2.5
261.16409	2.2
263.14365	2.6
265.11996	1.8
265.15817	4.2
267.13803	2.2
267.17490	5.4
269.17526	9.7
271.15308	1.7
273.14801	19.9
274.12244	1.5
275.12991	1.6
275.17822	2.2
275.20151	24.2
276.15134	1.7
277.15930	8.0
279.17426	1.6
285.16196	2.1
286.13641	1.6
286.17014	1.5
287.14386	2.4
287.18088	2.0
289.15790	2.0
291.17334	5.8
293.15201	1.5
295.16953	9.2
299.14276	2.7
301.15814	3.9
303.17264	1.8
307.16776	2.1
309.18500	10.7
313.15683	2.6
314.16708	1.6
315.17288	3.2
319.16983	7.3
331.16821	3.9
331.22714	2.5
333.17853	1.9
337.18042	12.3
343.16873	1.6
345.18512	2.0
349.23788	23.3
351.19559	3.8
357.18423	2.8
359.16174	2.1
361.18033	4.2
369.20663	31.3
373.18256	2.7
374.18146	2.2
387.21585	2.3
391.19196	3.3
399.23904	6.4
401.17456	4.4
403.19070	2.2
407.27924	1.9
409.20584	2.3
409.25873	14.7
416.19806	2.2
418.20154	3.8
419.18640	4.9
421.19867	2.2
423.27441	54.8
424.27606	3.1
429.22809	21.2
434.20966	3.2
435.21643	1.8
437.19516	4.0
450.22342	2.5
451.21289	3.5
452.21436	2.0
467.24500	1.7
492.23569	7.7
497.21832	2.1
503.33679	46.3
510.24722	13.3
521.34515	7.6
567.31042	3.8
570.27179	12.1
664.49817	1.9
667.34674	2.3
718.31860	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	718.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	2.0
53.03938	4.7
55.01869	13.4
55.05305	2.0
55.05517	21.5
67.05496	6.0
69.03430	2.8
71.55294	3.2
74.93129	2.3
79.05503	16.0
81.03412	12.5
81.07060	7.9
81.67970	2.0
83.04990	39.9
91.05490	21.6
93.07031	7.0
95.04967	11.4
95.08628	4.0
101.05999	2.3
103.05473	48.1
105.07021	12.3
106.49536	2.2
107.04952	9.1
107.08594	4.8
109.06554	4.9
109.10162	4.2
115.05477	3.7
116.30943	3.2
117.07021	10.3
119.08579	22.3
121.06551	3.3
121.10223	3.0
126.57050	2.0
128.06235	4.7
129.07002	17.8
131.04941	100.0
131.08577	17.7
133.06483	4.5
133.10170	12.1
135.08054	2.9
143.08586	10.8
145.06493	10.5
145.10158	7.5
147.08063	59.8
149.09654	19.9
155.08586	5.1
156.09351	6.3
157.06543	2.5
157.10135	20.6
159.08078	32.5
159.11678	25.2
161.09627	30.6
163.07581	5.9
169.10129	10.1
171.08141	4.3
171.11699	22.7
173.05943	3.3
173.09596	12.0
173.13289	9.2
175.07579	20.5
175.11221	3.2
181.10156	6.0
183.08134	3.7
183.11714	23.3
185.09641	6.9
185.13304	6.3
187.07552	2.6
187.11189	11.3
191.10689	2.8
193.10251	4.3
193.12265	2.7
195.07986	2.8
195.11734	3.7
197.09641	8.1
197.13293	8.2
199.11200	9.4
201.12766	4.7
207.11729	4.2
209.13324	5.8
211.11165	5.8
213.12683	6.9
215.10701	6.8
217.12268	3.6
221.13170	4.7
223.11267	3.5
223.14931	3.1
225.12769	8.1
227.10811	3.3
229.12247	8.6
231.13770	5.9
232.12305	4.2
233.13261	3.7
233.15382	6.9
235.11185	2.4
237.12790	2.3
241.12160	2.5
243.13788	6.3
243.99858	2.2
245.15361	4.7
247.11061	2.3
247.15065	3.1
249.12720	2.8
251.14410	3.4
251.72458	2.0
254.10674	2.4
259.13312	3.1
261.12598	3.0
261.14978	6.7
275.14264	3.4
285.12546	2.4
289.15704	2.8
305.19055	2.5
313.16199	2.4
315.17422	10.4
317.15430	3.1
329.18903	5.6
333.18542	11.0
343.16931	4.6
347.20093	3.8
357.18527	7.3
375.19635	12.8
387.19522	3.7
389.21072	15.5
391.19046	4.2
403.19000	13.0
405.20428	6.9
407.22238	46.4
417.20639	25.6
419.22147	4.6
435.21756	47.5
535.27008	10.2
636.25623	3.5
654.25690	5.0
686.27844	3.1
718.27863	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	718.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99907	1.3
53.03935	3.6
55.01883	5.9
55.05518	13.6
58.13253	1.3
67.05494	2.9
69.41534	1.2
71.55455	1.7
72.08160	19.1
77.03902	1.8
79.05497	6.5
81.03423	8.4
81.07032	3.8
83.04993	28.2
91.05486	10.0
93.07016	2.4
95.04952	7.2
95.08591	1.3
99.40944	1.1
103.05475	55.7
105.07011	4.4
107.04958	6.8
107.08617	2.2
115.05443	1.4
116.06239	1.8
117.07001	4.8
119.08591	12.1
121.06504	1.2
123.42991	1.2
128.06238	1.5
129.07014	9.1
131.04941	100.0
131.08577	9.0
133.06499	2.0
133.10071	3.3
135.08034	3.0
135.94371	1.4
137.86040	1.3
142.07738	2.4
143.08583	4.3
144.05679	1.6
145.06535	7.6
145.10127	5.4
147.08061	29.7
149.09654	11.9
157.10168	11.7
159.08081	19.0
159.11688	11.7
161.09615	15.0
163.17067	1.3
169.10168	6.6
171.08020	2.4
171.11697	9.6
173.05908	1.3
173.09607	4.9
173.13374	2.5
175.07602	9.7
177.09146	2.0
181.10089	1.9
183.08028	1.6
183.11688	8.1
185.09633	2.9
185.13242	2.0
187.11142	3.9
189.09103	1.6
191.10690	1.5
197.09608	4.7
197.13307	1.6
199.11134	4.1
200.85378	1.3
201.12756	3.3
205.10275	1.4
207.11690	1.7
209.09601	1.5
209.13304	1.9
211.11203	2.2
213.12775	1.9
215.10620	3.3
217.12305	2.3
221.13228	3.3
223.11159	1.9
225.12740	2.6
227.10612	2.5
229.12271	5.9
229.14200	1.5
233.13332	1.9
233.15396	5.4
243.13824	3.3
245.13361	1.5
245.15524	1.5
249.12639	1.5
253.12068	1.4
257.15378	1.4
261.14847	4.0
263.14380	2.2
287.14523	1.8
301.15823	2.3
315.14008	1.3
315.17374	7.0
317.15140	1.9
317.59116	1.4
319.20480	2.0
329.18985	2.0
333.18442	5.8
343.16965	4.1
347.19882	4.1
357.18369	4.3
361.18045	2.8
375.19501	10.8
379.22833	2.3
385.17966	3.8
389.21094	9.8
403.18976	6.3
405.20682	2.8
407.22192	30.8
417.20627	20.9
435.21716	33.9
527.36713	1.4
535.26971	9.7
583.27118	1.7
665.30469	2.3
683.31702	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	718.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
55.01863	4.8
55.05497	5.1
67.05494	6.5
69.03429	8.1
69.07051	2.7
69.88972	7.4
79.05475	7.1
81.03409	5.1
81.07059	7.1
83.04984	9.9
83.08648	1.6
85.91662	1.5
87.04463	3.1
91.05484	12.6
93.06503	1.5
93.07025	8.6
95.04949	6.7
95.08607	4.4
103.05474	47.9
104.07136	3.5
105.03403	10.2
105.04534	2.7
105.07034	11.1
107.04974	4.0
107.08597	5.6
109.06536	1.5
109.10150	4.6
115.05441	3.2
117.07009	12.5
119.08587	16.3
121.06474	2.6
121.10122	3.6
128.06206	2.4
129.06998	6.4
131.04932	100.0
131.08563	9.7
132.05251	2.9
133.06494	2.7
133.10135	15.2
135.08054	3.1
141.07036	1.8
142.07782	4.0
143.08580	8.0
145.06494	6.3
145.10114	8.1
147.08029	20.7
149.09627	4.7
154.07780	1.9
155.08554	3.8
156.09413	7.5
157.10112	11.6
159.08055	10.3
159.11693	5.8
161.06017	1.9
161.09644	10.6
163.07526	8.6
165.07054	2.6
167.08492	2.1
169.08894	1.6
169.10127	9.8
170.10941	3.6
171.08026	3.1
171.11711	25.5
173.09654	7.9
173.13275	3.1
175.07539	4.6
177.09097	5.1
179.01529	1.6
179.08562	2.1
181.10132	6.9
183.11690	18.3
185.09662	5.2
185.13280	15.8
187.11131	2.5
189.09113	3.2
193.10118	3.6
195.11703	5.3
197.09543	3.8
197.13210	3.8
199.11244	13.0
200.55470	1.6
201.09116	4.9
201.12906	1.6
203.06973	2.1
205.10112	1.9
207.11691	4.2
209.13257	3.0
210.14188	1.8
211.11143	2.7
213.09010	2.5
213.12808	11.2
215.10733	4.9
218.10757	2.3
219.11766	1.9
221.09470	2.0
221.13217	5.2
223.11174	2.9
225.09076	2.4
227.10593	3.1
227.96770	1.6
229.12196	6.1
229.14275	2.4
231.10107	2.2
231.13751	8.5
233.13223	3.2
237.12737	2.3
239.10756	2.2
241.12285	6.6
243.13866	2.6
245.11531	2.8
245.15443	5.5
255.13950	2.4
257.13306	3.2
259.13342	6.9
263.14206	2.5
268.12390	2.1
269.13245	3.0
270.14096	2.2
271.14685	3.0
273.14850	5.8
281.12820	2.2
283.14886	1.9
284.15616	2.0
285.12793	2.1
286.13336	2.0
298.13574	2.3
299.14218	4.0
311.14291	2.6
313.15875	2.1
314.12979	1.7
315.17426	1.9
321.18341	2.3
329.15283	2.2
331.16922	5.6
333.18500	5.2
343.16989	9.4
345.18512	4.0
347.20038	2.7
357.18411	7.4
359.19864	3.3
361.17892	7.1
369.18350	3.4
373.17993	5.0
375.19577	12.8
377.21329	4.2
385.17746	4.7
387.19534	9.8
391.19354	2.0
393.20758	1.9
403.19116	13.1
405.20670	22.7
407.22314	3.7
417.21014	8.4
421.19907	5.2
423.21585	3.2
435.21649	17.4
453.22635	7.2
465.22565	4.5
590.41425	2.0
655.29242	3.1
669.30103	3.6
673.30243	2.8
674.28949	1.7
686.28192	1.9
701.33307	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	718.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	6.3
53.11910	4.6
55.01862	6.0
55.05502	15.5
66.53101	4.9
67.05509	6.5
69.03420	35.3
69.07078	5.1
69.18060	25.3
69.18494	27.7
70.75422	5.1
72.08149	13.3
79.05479	13.6
81.07048	10.6
83.04964	22.3
91.05492	32.7
93.07034	14.6
95.04985	14.1
95.08610	13.7
97.06499	7.1
103.05495	30.9
105.03352	18.1
105.07045	35.1
107.08601	16.2
109.06508	7.0
115.05486	11.1
117.07013	38.5
119.08581	46.6
121.06493	6.2
121.10126	9.4
126.05524	6.2
126.06400	5.1
128.06261	6.9
129.07010	15.6
131.04019	7.6
131.04930	66.7
131.08575	30.9
132.05238	7.4
133.06474	12.0
133.10139	40.5
135.08078	15.2
142.07771	16.4
143.08575	35.1
145.06462	16.5
145.10117	21.7
147.08037	20.0
149.09645	17.5
155.08618	12.8
156.09351	20.4
157.10115	37.8
159.08063	17.9
159.11679	20.6
161.05943	16.8
161.09627	15.3
163.07582	26.2
167.08502	5.9
169.10106	39.1
170.10938	16.9
171.08047	16.5
171.11716	100.0
172.12157	6.8
173.05936	8.6
173.09627	23.0
175.07487	10.2
175.11206	6.3
177.09122	19.5
179.08589	9.4
181.10161	19.9
183.08008	6.3
183.11705	75.8
184.08783	8.3
184.12169	5.3
185.09622	15.3
185.13277	61.0
187.07582	8.3
187.11179	7.1
189.05481	12.8
189.08960	6.4
193.10115	11.1
195.11702	23.0
197.09711	9.3
197.13234	17.9
198.10382	5.9
199.11191	97.6
200.11946	5.3
201.09001	11.3
201.12769	13.1
203.10735	5.2
205.12215	10.0
206.11533	5.5
207.11642	8.5
209.09547	9.2
209.13266	7.7
211.11235	10.4
213.09151	12.8
213.12766	80.7
214.05803	5.3
214.13078	6.4
215.08730	7.8
215.10722	7.7
217.12251	5.0
220.12610	5.1
221.13263	14.3
223.11124	9.1
225.12865	5.9
227.10754	6.1
229.12282	8.5
231.11804	12.0
231.13782	7.8
233.13277	10.9
235.11104	8.0
235.14848	7.6
237.09082	5.7
237.12566	7.2
241.12296	13.4
243.11665	9.9
243.13826	14.8
244.12413	8.4
245.13292	10.3
245.15399	57.8
247.14920	7.6
251.14250	6.4
255.13895	8.3
257.13187	8.5
258.13922	7.8
259.13141	6.4
268.12473	5.5
269.13315	10.3
273.14816	35.6
275.10464	7.0
282.13971	6.1
283.14801	15.8
284.12061	7.3
284.15427	6.3
285.12762	7.2
287.14075	6.8
287.17987	6.5
289.15768	6.9
297.16248	9.8
299.14038	7.7
303.13623	8.9
313.12164	9.6
314.13159	6.2
315.13702	6.8
317.15369	8.5
327.13852	6.2
328.14450	9.2
329.15338	9.4
329.19009	7.0
331.16693	13.4
331.81784	5.7
332.16919	7.2
333.18311	14.9
343.13373	6.9
343.16913	36.2
345.14682	10.2
347.20111	14.6
357.18555	42.0
359.04910	5.8
361.17978	23.0
370.15808	9.8
373.18076	14.0
375.19681	29.5
385.18091	58.5
403.19080	72.2
405.20300	5.7
407.22229	22.0
417.20770	36.4
421.19910	7.0
435.16345	7.2
435.21777	88.1
436.21738	7.5
453.22617	6.3
463.21368	34.1
471.21924	10.6
482.25455	6.6
495.23685	19.9
516.23584	6.2
523.23212	16.2
552.25537	6.9
609.26740	22.1
718.33002	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	718.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.4
57.68300	1.3
61.02922	1.9
65.51356	1.4
67.05500	3.4
68.11865	1.6
69.03441	7.7
70.06595	14.7
71.55028	1.6
72.08164	7.2
73.77451	1.5
73.93610	1.7
79.05492	4.1
79.31429	1.3
80.05013	1.5
80.08157	1.3
81.03425	2.9
84.08179	2.3
85.02930	11.3
86.06059	2.3
86.09685	1.8
91.05473	2.4
93.07041	7.3
94.06571	10.0
95.07356	7.9
96.08141	21.9
97.02895	5.1
97.06517	2.4
97.93057	1.5
100.07580	1.5
103.05482	1.7
105.07018	1.8
105.47259	1.4
106.06561	1.8
107.07338	1.6
108.07533	1.7
108.08141	20.9
109.02914	1.7
109.08895	1.6
110.09691	32.1
116.04977	5.3
118.06514	1.4
120.04458	2.9
120.08109	27.1
121.06531	1.5
122.06069	10.4
122.09630	1.9
124.07600	19.5
127.03889	1.6
134.06041	1.8
136.07582	21.2
137.05969	2.1
137.08337	1.6
138.05507	3.6
138.09142	43.3
139.06320	1.9
144.04478	10.9
146.06010	10.5
148.07573	14.7
150.09157	7.5
152.07089	14.0
160.03969	3.7
161.06020	2.2
162.05492	6.4
166.05005	2.1
166.08647	89.2
172.03946	57.3
172.05444	2.7
174.05478	4.5
178.71346	1.5
180.06581	2.8
182.08218	2.1
190.05000	33.4
192.06538	2.2
194.08234	1.6
198.07616	6.0
204.06569	76.1
205.06892	1.8
206.08110	2.4
210.09288	1.4
211.08740	3.2
217.13289	4.1
221.98045	1.5
223.08653	6.2
225.10323	3.9
227.08093	1.7
235.08577	1.8
237.10245	7.1
239.08171	4.6
239.11749	3.2
240.80896	1.5
241.09709	3.7
243.11227	1.9
245.12769	2.0
251.08209	16.1
251.11823	4.0
253.09729	9.9
254.10577	2.0
255.11320	3.7
257.35757	1.5
265.09747	18.6
266.10513	2.0
267.07715	7.5
267.11316	6.0
279.07660	20.3
279.11124	4.5
280.08261	1.9
281.09225	12.0
281.12500	2.8
283.10846	9.3
292.08334	2.6
293.09232	13.0
294.07495	2.5
295.10651	8.9
297.09256	1.8
297.12231	9.3
299.10391	11.1
299.13525	2.6
301.11902	2.0
307.10815	6.3
309.08792	5.9
309.12384	2.7
311.10272	16.6
313.11865	4.1
315.13474	5.4
319.33008	1.8
320.07700	1.7
320.22092	2.2
321.08704	30.3
321.12292	2.2
325.11847	40.8
327.09723	11.6
327.13425	8.2
331.12921	1.8
333.14703	1.8
336.08786	4.9
338.08527	1.9
339.09802	17.2
341.11234	13.2
343.12918	4.6
350.80511	1.5
353.11292	29.7
356.11234	3.3
357.14484	14.6
358.15057	1.7
359.12363	37.8
359.16153	4.3
368.11282	4.6
371.12302	16.8
373.73328	1.4
374.12473	2.0
385.14142	2.1
391.15125	4.3
418.17380	2.9
419.22617	2.8
432.15558	1.9
446.17654	3.1
447.15643	1.7
448.18439	4.7
464.18030	7.2
469.15668	1.6
474.16687	10.1
478.19922	1.8
480.21310	16.4
487.17209	21.5
488.17535	1.9
489.16205	3.1
490.26245	1.5
492.17657	47.9
506.12216	2.7
506.19275	40.4
522.11292	1.5
524.20361	100.0
525.20374	3.3
538.21844	13.3
539.20398	2.5
556.23492	9.3
618.20709	2.3
636.21210	2.5
654.22717	6.3
668.23969	4.8
686.25244	9.3
700.26727	5.4
718.27710	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	717.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.4
53.29409	2.1
55.01875	20.6
55.05514	53.7
67.05498	8.3
69.03418	3.7
69.07069	3.0
69.32651	11.3
69.33064	4.5
70.66292	1.6
73.06530	2.2
79.05486	15.2
81.03424	12.0
81.07051	6.9
82.76836	1.8
83.04984	72.4
85.97532	2.0
91.05480	39.1
93.07050	11.1
95.01342	2.1
95.04976	24.1
95.08611	6.3
101.06019	3.5
103.05487	6.9
105.03397	43.0
105.04516	3.7
105.07029	24.9
107.04964	9.4
107.08598	8.2
107.45203	2.0
109.06489	4.6
111.08101	1.8
115.05431	14.8
116.06228	3.5
117.07012	35.8
119.04923	2.9
119.08585	57.6
121.06520	7.3
121.10150	2.7
123.08083	2.2
128.06230	9.7
129.07002	28.7
130.07756	5.0
131.04932	5.1
131.08572	24.1
132.05719	2.1
133.06529	4.9
133.10101	11.8
133.33859	1.9
135.08067	8.5
141.07005	5.8
142.07780	7.8
143.08575	20.4
144.05737	4.4
144.09358	4.7
145.06477	36.5
145.10124	22.8
146.07272	2.4
147.08054	100.0
149.09593	11.5
153.07034	4.7
154.07770	3.7
155.08539	10.2
156.09416	10.5
157.06526	4.2
157.10130	36.6
158.07256	7.5
159.08060	43.5
159.11697	44.5
161.05998	2.5
161.09619	25.2
163.07544	83.6
163.11241	3.0
165.07027	5.4
166.07803	3.2
167.08562	3.6
168.09351	5.6
169.10120	32.7
170.10878	9.5
171.08041	8.5
171.11674	23.9
172.08749	3.8
173.06047	10.1
173.09650	43.3
173.11168	2.1
173.13234	13.3
175.07570	14.5
175.11157	4.1
177.09138	3.5
179.08569	3.8
180.09427	1.9
181.10136	6.5
183.08041	4.0
183.11690	61.6
185.09644	13.8
185.13258	42.4
186.10411	2.6
187.07521	4.5
187.11148	20.7
189.09140	4.2
190.07758	2.3
191.08720	3.1
191.10559	2.6
193.10112	5.6
194.10896	2.4
195.11719	10.1
196.08952	3.6
197.09616	17.3
198.10390	2.8
199.11177	13.3
201.09132	15.5
201.10959	2.8
201.12732	25.2
203.08519	2.0
203.10551	3.3
207.11687	10.1
209.09619	6.9
209.13293	3.2
211.11142	16.2
213.09152	3.8
213.12772	11.0
215.08788	2.0
215.10583	8.8
216.09477	2.2
217.10384	2.4
217.12306	7.1
220.12556	3.4
221.13298	7.7
222.10301	2.0
223.11137	8.5
225.12851	4.4
227.10738	5.6
229.10207	3.7
229.12231	27.5
231.11842	3.3
231.13771	3.4
233.11537	2.8
233.13429	2.8
233.15242	9.2
235.11197	3.7
235.14876	3.4
237.12822	5.6
239.10609	3.6
239.14227	3.3
241.12277	4.3
243.11818	2.6
243.13867	16.6
244.12405	3.7
245.09610	3.1
245.13336	2.7
245.15463	6.0
246.10410	3.1
247.11235	2.5
247.15021	3.5
248.11937	2.3
249.12727	3.3
251.14137	3.5
255.11687	2.6
255.14047	2.5
256.12598	2.7
257.11716	5.9
259.10944	4.3
259.13116	13.5
261.12515	2.6
261.14801	19.1
263.14398	5.5
265.15903	2.6
267.11600	3.3
268.12247	2.4
270.14227	2.2
271.10831	2.4
271.13309	3.3
271.15155	3.9
272.15491	2.0
273.12790	8.8
273.15549	2.0
274.13449	3.1
275.14261	6.3
281.13126	4.3
284.11914	2.3
285.12677	7.1
286.13574	4.3
287.14331	6.1
287.17892	2.5
289.14362	3.4
291.13748	2.8
297.16275	3.3
298.13577	2.5
299.14291	8.1
300.15201	5.4
301.15939	2.9
303.17191	3.7
311.14182	2.2
311.17981	2.9
313.12231	2.2
313.15848	5.3
314.16705	3.9
315.17416	32.8
317.15482	2.6
324.15173	2.1
325.15933	6.4
327.13806	3.3
327.17480	2.7
328.14554	2.2
329.15604	2.7
329.19043	21.1
331.16986	1.9
333.18509	6.4
339.17291	3.8
343.16861	9.1
344.17648	2.1
345.14948	2.1
347.20029	4.8
357.18439	19.6
359.16431	2.3
361.18115	3.9
373.18057	4.8
375.19647	16.1
385.18124	11.3
389.21164	30.4
399.19614	3.2
403.19049	11.3
405.20575	2.8
407.22037	10.3
415.14557	2.2
417.20627	28.2
435.21716	26.0
535.26990	2.9
557.25146	2.6
717.32495	18.0
717.43921	2.7
744.56696	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01875	2.0
55.05514	8.3
59.42162	0.8
67.05503	2.5
69.03431	1.5
69.07061	1.4
69.18745	4.9
69.19170	4.7
77.03915	1.1
79.05495	5.2
81.03412	1.8
81.07055	2.6
83.04976	11.8
86.58900	1.0
91.05478	11.6
93.07050	6.3
95.04977	4.9
95.08624	2.8
97.06522	1.0
103.05468	47.7
105.04527	0.9
105.07032	15.8
107.05008	1.3
107.08594	3.5
109.02909	1.2
109.06510	2.1
115.05455	3.3
116.06277	1.2
117.07018	7.0
119.04914	2.2
119.08584	16.7
121.06538	2.3
121.10160	2.3
123.08051	1.0
128.06229	2.6
129.07025	6.3
130.07849	1.4
131.04929	100.0
131.08554	8.9
132.05261	2.9
133.06499	7.7
133.09131	1.1
133.10120	18.7
135.08055	3.5
136.18962	0.9
141.06993	3.3
142.07794	5.1
143.08556	9.1
144.09312	1.0
145.06488	5.2
145.10127	6.1
147.04399	1.6
147.08047	9.3
149.09636	4.9
153.07001	1.5
154.07806	1.6
155.08554	5.2
156.09319	6.3
156.92357	0.9
157.06477	2.2
157.10123	18.2
158.10977	1.3
159.04462	1.1
159.08086	5.6
159.11664	8.5
161.05977	8.1
161.09613	5.5
163.07521	3.6
163.11176	1.7
165.06989	2.0
165.09097	1.9
166.07816	1.3
167.08582	3.2
168.09265	2.0
169.10143	9.8
170.10939	5.3
171.08073	3.8
171.11691	25.5
173.06013	3.0
173.09627	6.1
173.13188	4.3
175.07518	6.6
175.11220	2.4
177.09068	3.2
179.07033	2.9
179.08449	1.7
180.09390	1.7
181.10153	5.1
182.07205	1.1
183.08107	2.3
183.11702	22.6
184.12556	2.0
185.09612	6.9
185.13258	19.2
187.07553	2.6
187.11209	4.9
189.05460	2.2
189.09094	1.7
191.07048	1.6
191.08566	1.2
192.09346	1.4
193.08575	3.5
193.10202	3.7
194.10938	1.5
195.08124	1.7
195.11679	6.1
197.09628	3.6
197.13242	6.8
198.10382	1.2
199.07535	2.1
199.11162	7.2
200.11850	1.4
201.09192	1.6
201.12738	3.4
203.07011	2.1
203.08720	1.6
203.10582	1.3
205.08470	1.5
205.10265	1.6
205.12212	2.3
206.10893	2.6
207.11755	5.7
208.12494	1.8
209.09680	1.4
209.13264	4.1
211.11189	4.1
211.14807	1.9
213.09137	3.6
213.12738	17.6
215.10730	1.1
216.09322	1.6
217.10307	1.9
217.12215	2.2
219.11702	3.9
220.12520	2.2
221.13310	4.9
223.11238	2.8
223.14732	1.7
224.11971	1.0
225.09065	2.1
225.12764	1.1
227.07103	1.2
229.10214	1.6
229.12218	2.9
230.10956	1.6
231.11676	4.3
231.13864	4.7
232.12500	3.9
233.13266	4.0
233.15411	2.6
234.14005	1.8
235.11140	2.0
235.14928	1.7
237.12758	1.4
239.10736	1.5
239.64775	1.1
241.12216	5.0
243.11597	3.8
243.13861	4.7
244.12457	2.8
245.13243	3.8
245.15379	11.0
246.14017	1.9
247.14870	3.9
249.12859	2.1
249.16391	1.9
251.14384	1.9
254.10867	1.4
255.11653	3.0
255.13872	2.6
256.12421	2.3
257.13324	4.6
257.15567	1.6
258.14041	2.9
259.14862	3.3
260.12189	1.5
260.15625	2.5
261.12671	1.8
261.16501	1.9
263.10507	1.2
263.14063	1.1
263.16479	3.3
265.12286	1.2
268.12503	2.0
269.13168	4.3
270.13989	3.7
271.14697	3.3
272.12000	1.6
272.15561	2.1
273.12296	1.6
273.14737	10.2
275.14325	1.8
275.17615	1.0
279.13995	1.2
281.13278	1.9
282.14038	2.2
283.14755	1.5
284.11932	1.0
284.15573	2.6
285.12653	2.7
285.16339	3.8
286.13388	2.1
286.16977	1.6
287.14322	3.5
287.17764	1.3
288.15039	1.5
289.15735	1.2
293.15445	1.3
297.12860	1.7
297.16281	1.6
298.13562	1.9
299.14294	2.7
299.17792	1.9
301.12189	2.6
301.15881	2.9
301.19452	1.5
303.17392	3.5
311.14029	1.6
312.15158	1.4
313.15854	4.0
314.13080	1.2
315.13638	2.8
315.17490	2.8
317.15253	2.3
317.18890	1.3
319.13382	1.6
319.16953	1.7
325.12064	1.5
327.17349	4.3
329.15479	4.9
329.18802	1.5
331.16760	5.9
333.18365	1.4
340.14713	1.3
341.15341	4.1
343.17020	2.4
345.14896	1.2
345.18539	6.3
347.16412	4.6
347.20020	1.1
349.17978	4.5
355.16797	7.4
357.18451	1.3
359.16461	11.5
361.18021	2.5
363.19632	3.6
371.16345	3.8
373.17984	14.0
375.19434	1.5
377.17398	9.1
383.16220	3.5
387.19626	2.5
388.75980	1.0
389.17429	3.2
391.19025	11.4
393.16547	1.1
401.17462	14.0
403.19138	3.5
405.20743	5.0
409.20074	2.4
415.19022	4.0
419.18585	13.5
421.19977	6.7
423.21582	5.5
433.20105	20.0
437.19464	3.9
439.21069	1.4
451.21164	19.2
468.29129	1.0
469.22232	6.2
537.25262	1.5
551.10773	0.9
551.26398	1.6
560.72998	1.0
567.04089	1.0
717.33710	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.8
51.02375	1.1
53.03940	1.5
54.28839	0.7
55.01870	1.1
55.05304	0.8
55.05519	8.3
57.55681	0.7
61.25496	0.7
65.03934	1.5
67.05500	2.6
69.03438	1.2
74.96161	0.7
75.63936	0.6
77.03938	1.1
79.05497	4.9
81.03430	0.8
81.07038	2.6
82.00739	0.6
83.04996	11.4
88.46305	0.6
90.39068	0.6
91.05493	9.0
93.07045	4.8
94.76845	0.7
95.04974	5.2
95.08615	2.3
97.06557	0.9
99.27721	0.7
101.56884	0.6
103.05476	54.1
105.07042	16.1
107.04961	1.9
107.08596	6.0
109.02891	0.8
109.06522	1.2
109.10176	1.6
111.08092	0.7
112.28767	0.6
115.05459	3.3
116.06242	1.2
117.07032	6.1
119.04937	1.2
119.07795	1.1
119.08595	15.4
121.06514	2.2
121.10131	2.4
123.08092	0.9
128.06232	2.6
129.07037	6.3
131.04939	100.0
131.08578	7.5
133.06523	6.5
133.10144	15.7
135.04474	0.8
135.08047	3.1
141.07005	2.3
142.07784	4.0
143.08591	9.1
145.06505	2.5
145.10114	6.1
147.04558	0.7
147.08051	8.6
149.06000	1.0
149.09602	3.4
152.06201	0.9
153.06989	1.5
154.07816	1.7
155.08563	5.4
156.09354	6.3
157.06508	1.2
157.10143	14.4
158.10989	0.7
159.04439	0.9
159.08058	5.2
159.11743	4.0
161.06007	6.7
161.09628	3.8
163.07564	2.1
163.11201	2.7
165.07031	2.2
165.09146	1.0
166.07835	1.0
167.08586	3.5
168.09346	1.6
169.06476	1.2
169.10135	9.3
170.10927	5.6
171.08055	3.8
171.11708	20.8
172.08919	1.7
172.12511	0.7
173.06061	1.9
173.09676	5.0
173.13281	2.6
175.07536	6.1
175.11183	1.5
177.05504	1.2
177.09152	2.9
178.07800	1.0
179.07036	1.5
179.08565	2.7
180.09370	1.4
181.08757	0.9
181.10129	5.0
182.10876	1.5
183.08142	2.3
183.11714	20.6
184.12473	1.0
185.09665	6.4
185.13261	15.0
187.07553	3.0
187.11179	3.5
189.05496	1.7
189.09111	1.7
192.09431	1.3
193.08609	2.5
193.10161	3.4
194.10960	1.3
195.08060	1.5
195.11681	5.4
196.12431	0.9
197.09645	4.0
197.13216	4.4
198.10477	1.3
199.07561	2.1
199.11218	6.3
200.11974	2.2
201.09114	1.7
201.12802	1.9
203.08630	1.2
203.10637	0.8
205.10228	1.4
205.12184	1.1
206.10925	2.0
207.11723	5.0
208.12469	1.3
209.09724	2.2
209.13304	1.6
210.10532	0.9
211.07556	0.9
211.11162	6.0
213.09279	4.3
213.12749	15.0
215.10675	1.6
216.09583	1.3
217.08534	1.7
217.10268	1.8
217.12170	1.2
218.10913	1.6
219.11760	2.8
220.12508	2.6
221.09798	1.5
221.13292	4.4
223.11185	3.7
223.14813	1.2
225.09103	1.4
225.12621	1.3
227.10648	6.0
229.10112	2.2
229.12370	2.0
230.10913	1.9
231.09824	1.1
231.11743	3.0
231.13890	2.5
232.12518	2.2
233.09729	1.3
233.13298	3.1
234.14027	1.7
235.11246	2.0
235.14967	2.3
237.09154	1.4
237.12773	1.7
239.10760	2.1
241.08354	0.9
241.12244	4.1
242.10930	2.1
242.13098	1.2
243.11737	3.6
243.13916	4.2
244.12573	2.5
245.13297	4.2
245.15466	6.0
246.14087	1.6
247.11212	2.4
247.14949	2.1
248.11829	1.2
249.12775	2.8
251.10684	2.8
253.12418	1.0
255.11691	2.5
255.13916	2.1
256.12521	2.2
257.13495	4.0
257.15582	1.1
258.14117	2.7
259.11240	1.1
259.14783	3.1
260.15619	1.3
261.08981	0.8
261.12787	1.6
261.16309	1.0
265.12460	1.1
266.10843	0.9
267.11774	1.2
268.12421	1.1
269.13364	5.0
270.14124	4.2
271.11154	1.6
271.15128	3.7
272.11856	1.0
272.15625	1.9
273.12357	1.2
273.14700	6.2
274.13470	1.4
275.10635	1.1
275.14343	2.1
275.17868	1.8
276.15182	0.8
279.13925	1.0
280.12354	0.8
281.13199	0.9
282.14249	0.9
283.11349	1.6
283.14914	2.3
284.12186	1.0
284.15613	2.7
285.13101	1.7
285.16458	6.6
286.13663	1.3
286.16876	1.1
287.14282	2.8
287.17728	1.1
288.14862	0.7
289.15808	0.9
291.13510	1.1
291.16501	0.9
294.13947	1.3
295.14706	1.3
297.12579	2.3
297.16019	1.2
298.13623	3.9
299.14322	2.5
299.18015	3.4
300.15091	1.1
301.12442	1.4
301.15948	2.4
301.19269	0.7
302.13147	1.0
303.13843	1.9
303.17526	2.9
311.14410	1.3
311.83087	0.8
312.15152	2.3
313.12314	1.1
313.15747	4.6
315.13852	2.9
315.17572	1.6
316.14490	1.6
317.15417	2.1
317.19098	1.7
319.13519	1.3
319.16876	1.6
321.15012	1.0
323.14194	0.7
325.12329	1.4
325.16052	1.2
326.13181	2.0
327.13840	1.6
327.17542	5.0
329.11942	1.0
329.15488	3.7
329.19031	1.2
330.16205	1.5
331.16956	8.0
340.14685	1.3
341.15372	5.0
343.13193	1.1
343.17120	2.6
345.14709	1.3
345.18356	5.6
347.16486	3.6
349.18155	3.2
355.16910	8.9
357.18701	1.0
358.15411	1.0
359.16473	10.0
359.20490	1.4
361.18094	1.6
363.19656	2.5
365.17575	1.4
371.16333	1.5
373.18079	14.0
377.17438	6.5
377.21631	1.3
381.21332	0.9
383.16293	3.3
387.19650	1.7
389.17389	1.8
391.19067	8.4
401.17490	9.3
403.19159	2.3
405.20856	6.5
407.18561	1.3
409.20233	1.9
415.19376	4.8
419.18524	9.4
421.20203	3.2
423.21844	5.1
433.20187	22.5
437.19904	2.8
451.21155	20.5
465.19070	1.0
467.08539	0.7
469.22220	5.4
533.25122	1.4
551.26544	2.2
569.26648	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.05515	13.1
67.05485	1.6
70.79031	3.2
77.03911	1.2
79.05495	7.6
81.07063	4.1
83.04987	14.9
88.73278	1.0
91.05489	11.5
93.07059	10.0
95.04969	3.6
95.08606	7.6
103.05472	53.0
105.07038	12.1
107.04957	1.5
107.08578	6.1
109.06490	2.5
113.05983	1.2
115.03970	1.2
115.05462	2.3
117.07021	6.3
118.12611	1.0
119.04971	2.0
119.08591	14.6
121.06498	1.8
121.10142	3.4
123.08043	2.1
128.06223	4.4
129.07008	3.9
130.07820	1.2
131.04935	100.0
131.08574	12.8
133.06540	5.5
133.10132	19.9
135.08034	5.8
137.09540	1.1
141.07010	3.1
142.07784	3.7
143.08565	9.5
145.06491	3.3
145.10101	8.1
147.08057	7.4
147.11644	1.3
149.05933	1.2
149.09639	7.5
153.09109	1.6
155.08539	3.9
156.09329	5.5
157.10161	14.1
159.08060	3.8
159.11682	5.0
161.06030	1.8
161.09618	4.2
163.11205	3.3
165.06931	1.6
167.08563	3.2
168.09343	1.6
169.10088	10.3
170.10921	4.5
171.08017	3.2
171.11691	21.3
173.09624	7.1
175.07504	2.9
175.11234	1.6
177.09152	1.2
179.07060	1.7
179.08624	3.0
180.09285	2.4
181.10110	4.4
183.08073	1.3
183.11713	17.3
184.08859	1.3
185.09650	3.6
185.13255	11.9
187.11217	3.2
192.09494	1.2
193.08569	2.6
193.10175	3.1
194.10905	2.5
195.11687	5.3
197.09642	3.8
197.13275	5.2
198.10405	1.8
199.11125	6.2
201.09065	1.5
201.12727	3.0
205.10223	2.7
205.12137	1.8
206.10944	2.2
207.11736	5.4
208.12396	1.6
209.09645	2.0
209.13257	3.7
211.11179	4.8
213.12733	11.6
215.08598	1.2
215.10678	1.2
217.10126	2.8
217.12213	2.1
219.05974	1.3
219.11687	3.2
220.12477	4.1
221.13278	6.6
222.13980	2.0
223.11224	2.4
223.14722	2.4
225.12758	2.6
227.10638	2.0
229.10281	2.3
229.12260	3.5
230.10898	2.7
231.11830	2.0
231.13829	3.3
232.12477	3.3
233.09720	1.6
233.13269	4.2
234.13965	2.3
235.11325	2.2
235.14964	2.9
237.12732	1.7
241.12207	2.9
243.11652	3.4
243.13820	3.3
244.12503	5.6
245.13254	4.1
245.15446	7.2
246.14020	3.0
247.11160	2.2
247.14972	6.2
249.12677	2.0
249.16373	4.9
251.14368	2.5
255.11618	1.7
255.13943	2.6
257.13239	4.1
258.14035	3.8
259.14874	3.7
260.11911	1.2
260.15604	2.8
261.12714	2.6
261.16339	4.5
263.14407	2.0
263.17908	2.0
267.11581	1.2
270.14151	1.5
271.15079	2.0
272.15570	3.4
273.12247	1.4
273.14511	2.9
273.16632	3.7
274.13501	2.2
275.14337	3.3
275.17953	1.8
277.15875	2.6
279.13675	1.2
284.15778	1.5
285.13058	1.4
285.16333	3.0
287.14426	2.4
287.17831	1.7
288.15097	1.4
289.15961	2.6
291.17365	2.2
293.18796	1.5
299.14276	2.7
299.17642	1.3
300.15097	1.6
301.15952	3.4
303.14117	1.8
303.17496	4.1
305.15601	1.6
305.18790	2.4
307.16776	1.5
312.14841	1.4
313.15826	1.6
315.17438	4.6
317.15530	1.5
317.18967	2.1
319.16913	2.9
319.20554	1.8
321.18542	2.6
327.17459	1.6
329.15390	1.8
329.18988	3.6
331.16968	3.6
333.18481	3.7
345.18512	4.2
347.16360	4.5
347.20148	3.1
349.17987	4.6
351.19531	1.6
359.16391	6.2
360.17020	1.5
361.17941	3.4
363.19522	3.7
367.19022	3.0
369.20444	2.5
373.18021	8.9
375.19641	3.0
377.17401	9.1
377.21429	1.4
379.22720	2.3
389.21222	3.2
391.19034	11.8
395.18478	2.5
401.17340	4.1
405.20505	1.7
407.22076	3.8
409.20032	3.3
411.21844	1.5
419.18512	9.3
421.20178	3.1
423.21674	6.7
433.19989	10.1
437.19531	2.6
441.22116	1.5
451.20874	14.2
469.22314	10.9
569.27393	2.7
612.33679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	3.0
51.61914	2.6
53.03957	12.0
55.01871	4.1
55.05512	29.3
64.97839	2.1
67.05518	4.6
69.03457	2.5
69.07063	2.6
71.56060	3.4
72.08160	9.1
77.03931	3.1
78.32835	2.1
79.05500	11.8
81.03421	5.9
81.07060	6.7
83.04986	45.9
84.08521	2.7
91.05474	21.2
93.07039	9.1
95.04974	12.9
95.08613	6.7
103.05470	41.9
105.03400	74.6
105.04485	4.4
105.07036	30.5
107.08607	9.4
109.06548	4.2
109.10213	3.4
111.04441	4.2
115.05466	9.4
117.07027	21.1
119.08597	25.4
121.06503	5.2
121.10152	5.6
125.05997	2.9
128.06235	5.0
129.07021	9.6
130.07793	4.3
131.04932	100.0
131.08577	14.6
131.80560	2.4
132.05383	2.6
133.06464	6.3
133.10133	22.9
135.08075	7.3
137.85550	2.4
141.06937	2.9
141.99365	2.1
142.07777	9.0
143.05000	2.6
143.08585	20.3
145.06476	12.4
145.10120	18.1
146.10463	2.8
147.08046	11.8
149.09604	12.4
153.06940	3.4
154.56628	2.5
155.08540	9.8
156.09387	12.1
157.06482	2.3
157.10144	30.6
159.08066	9.5
159.11688	9.8
161.06012	12.1
161.09665	13.3
161.13249	2.5
162.06769	2.8
163.07530	13.8
163.11188	4.5
165.06996	3.6
167.08607	5.5
168.09297	3.6
169.10121	14.5
170.10904	12.4
171.08067	10.4
171.11674	49.3
172.08821	4.0
172.12148	2.9
173.05968	6.0
173.09630	14.1
173.13272	5.4
175.07574	13.4
175.11223	4.1
177.09114	31.5
179.08603	5.2
180.09401	2.7
181.10127	8.8
183.08098	5.3
183.11694	35.9
184.12256	3.9
185.09645	9.4
185.13264	29.4
187.07593	4.3
187.11203	7.5
189.05521	7.7
189.09113	13.2
191.07085	3.1
191.10747	7.8
191.83702	2.7
192.09277	2.9
193.08591	3.1
193.10179	7.8
195.11687	12.0
197.09720	8.9
197.13277	10.1
198.10492	4.4
199.11230	17.5
200.11885	3.0
201.09032	5.8
201.12738	8.5
203.07013	4.0
203.10693	8.2
205.08574	9.8
205.12303	2.6
206.10843	4.7
207.11705	7.3
209.09554	5.5
209.13225	4.2
211.11192	10.4
213.09213	3.5
213.12721	32.2
215.10687	8.8
217.08575	3.6
217.12280	7.9
219.11758	5.1
220.12523	4.8
221.09593	2.6
221.13254	9.4
223.11305	3.2
227.10687	4.3
229.10291	5.6
229.12285	5.7
230.10866	4.0
231.09933	3.7
231.11877	4.3
231.13693	14.2
232.12447	3.3
233.13403	4.7
234.14009	3.1
235.11295	3.4
235.14932	5.1
237.12744	4.5
241.12263	8.1
243.11740	4.0
243.13899	8.6
245.13280	5.0
245.15367	6.5
247.11137	3.4
247.14740	6.8
249.12708	4.3
249.16516	3.7
255.13947	4.8
258.14050	2.8
259.13174	6.3
261.12744	6.5
261.16568	2.8
263.14136	2.7
270.14063	3.0
273.14584	15.7
275.13010	2.3
277.15927	4.7
279.13837	2.9
285.13086	3.1
285.16397	5.6
286.13669	3.6
286.16849	3.4
287.14374	4.3
287.17694	3.2
288.14960	3.5
289.12100	2.4
289.15955	3.7
299.14261	3.3
301.15674	2.8
303.13837	3.9
303.17145	2.9
305.15189	5.3
314.13077	3.4
314.16525	2.9
315.17435	4.2
317.15192	3.4
319.16989	4.0
321.18558	3.7
329.15271	3.8
331.16925	9.6
333.18680	6.0
342.15897	3.2
343.16852	9.8
345.18488	4.8
347.20135	7.5
357.18484	8.7
361.18045	7.6
363.19797	2.8
373.18109	7.1
374.18417	3.6
375.19659	11.7
385.18094	6.8
391.19092	5.0
392.19922	3.2
403.19019	15.5
405.20541	7.0
417.20761	13.9
420.18964	4.2
421.20169	9.4
423.20819	2.5
435.21658	25.1
437.20099	2.5
438.19757	3.4
453.22635	8.1
495.23972	12.2
595.28784	10.1
599.26147	3.0
617.27429	4.8
699.31598	8.6
717.32904	34.2
718.33173	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	717.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.9
51.58913	1.3
53.03936	2.0
55.01873	1.8
55.05511	13.4
57.89294	1.4
59.06163	1.3
67.05503	2.4
69.07043	1.4
69.87971	6.8
78.10853	1.4
79.05491	4.7
81.03407	1.8
81.07034	3.8
83.04988	16.6
86.51924	1.3
91.05492	11.1
93.07036	13.0
95.04969	4.2
95.08612	6.9
98.20840	2.7
103.05476	53.2
105.04513	2.6
105.07040	13.9
107.04939	2.9
107.08591	7.7
109.06492	2.5
115.05429	2.0
116.06181	1.5
117.07000	4.6
119.08598	14.7
121.06474	4.2
121.10091	2.8
123.08045	1.6
128.06198	3.8
129.06990	4.9
131.04932	100.0
131.08571	9.2
133.06494	5.6
133.10135	21.8
135.08046	5.0
141.06963	2.0
142.07771	4.0
143.08548	9.2
143.09526	1.5
144.09265	1.3
145.06453	2.9
145.10106	6.6
147.08066	9.3
149.09665	10.1
149.10745	1.8
155.08545	4.9
156.09355	7.2
157.10146	15.9
158.07185	2.0
159.08061	5.4
159.11726	4.4
161.05975	1.8
161.09590	6.0
163.07524	1.8
163.11162	2.9
167.08569	2.5
168.09322	2.1
169.10136	10.7
170.10933	5.7
171.08086	2.4
171.11688	25.4
173.09663	7.7
173.13268	3.3
175.07532	2.9
179.07018	1.8
179.08575	2.0
180.09285	1.5
180.36517	1.4
181.10126	5.3
183.11690	20.1
185.09700	7.4
185.13286	13.7
187.11163	3.5
189.09099	2.2
193.08609	2.4
193.10149	3.5
194.10869	2.0
195.11707	6.0
197.09660	3.6
197.13272	5.4
199.11209	6.9
201.09050	1.7
201.12807	4.2
205.10194	2.3
205.12233	2.5
206.10870	2.9
207.11748	7.1
208.12543	2.5
209.09723	2.3
209.13203	4.5
211.11154	5.2
213.09299	2.0
213.12776	15.2
215.10706	1.7
218.10872	1.4
219.11736	3.6
220.12491	4.2
221.13246	4.8
222.13991	1.5
223.11127	2.0
226.13457	1.7
227.10728	1.6
229.12238	3.3
231.11667	5.0
231.13795	3.3
232.12421	2.1
233.13223	4.4
234.13927	3.5
235.11093	2.3
235.14818	4.6
237.12665	2.1
241.10071	1.6
241.12219	4.3
242.13077	1.6
243.11533	4.8
243.13858	4.4
244.12433	4.2
245.13322	3.2
245.15428	6.0
246.14055	4.1
247.11176	2.6
247.14795	5.8
248.15355	1.6
249.12775	2.9
249.16371	4.7
250.13698	1.6
251.14111	2.7
255.11647	1.8
255.13969	1.5
256.12518	1.8
257.13220	4.2
258.13962	5.7
259.11108	1.7
259.15042	7.8
260.15421	2.4
261.12750	2.6
261.16354	4.7
263.14230	3.0
263.17856	4.1
269.20691	1.5
270.14063	1.9
271.14868	2.2
272.15594	3.8
273.14822	3.0
273.16763	2.0
275.14288	3.3
275.17679	1.7
276.15201	1.6
277.15759	2.7
285.16330	4.1
286.16937	1.4
287.17960	2.2
289.15906	3.7
291.17441	3.7
300.15112	2.0
301.15668	4.1
303.17477	4.3
305.15610	1.5
305.18774	3.0
307.16962	1.7
315.17371	6.3
317.15479	2.4
319.17050	3.7
319.20532	1.9
321.18378	2.7
323.20157	1.6
327.17267	1.9
329.18890	3.0
331.16931	4.5
333.14716	1.8
333.18463	5.3
341.15533	1.7
345.18555	4.0
347.16370	5.1
347.20041	3.2
349.18051	4.9
351.19666	2.2
357.18271	1.6
359.16385	5.6
361.17957	4.5
363.19568	5.2
365.17059	2.8
367.19025	3.2
369.20551	2.7
373.17801	9.0
375.19745	2.7
377.17395	10.3
381.20517	2.1
389.21130	4.9
391.19049	12.0
401.17282	4.8
405.20667	2.4
407.21936	1.9
409.19958	4.6
419.18570	10.0
421.20117	2.2
423.21603	8.1
433.20074	11.0
437.19226	2.6
441.22586	2.2
451.21194	15.4
469.22342	9.8
569.27234	4.0
717.31799	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02061	2.4
67.05509	3.5
69.28350	21.5
75.91161	2.4
79.05505	3.0
79.43246	1.9
81.07061	6.5
81.17970	2.6
91.05497	3.5
93.07064	4.8
94.67818	2.1
95.08617	2.7
105.91222	2.3
131.08588	2.2
161.45937	2.1
161.89833	2.2
164.01294	2.2
202.96724	2.2
230.13022	2.2
286.93832	2.5
345.92096	2.3
363.84024	2.8
379.19531	4.0
380.20093	3.6
393.17020	3.0
407.22638	3.9
409.20151	31.7
409.24405	3.1
423.21967	16.2
424.22702	10.0
435.22101	3.6
436.23016	2.7
443.22098	4.9
451.21588	4.2
452.22186	2.5
453.19211	4.9
468.21356	2.5
481.22522	3.3
494.25403	2.9
495.23935	6.1
511.27252	28.8
521.25891	4.2
522.26184	4.1
539.26306	2.6
551.23212	4.4
553.28772	4.3
555.25928	29.8
556.27100	3.6
567.22638	6.1
582.24872	4.3
598.27893	15.2
599.27997	3.7
611.24524	2.9
625.26581	10.7
643.27234	7.3
653.26483	13.6
667.27948	5.0
685.28717	94.8
686.29779	4.3
699.30353	16.5
717.31390	100.0
717.44513	9.2
718.31177	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	717.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.0
51.84791	0.6
53.03944	3.1
55.01870	0.9
55.05511	1.8
60.05640	1.4
60.89446	0.8
61.74518	0.6
67.05507	3.3
69.03440	4.6
69.07069	0.7
70.06580	1.3
71.04961	0.9
71.55563	1.3
72.08155	1.4
72.24761	0.6
77.03928	1.2
79.05507	4.0
81.03413	3.1
81.07041	1.8
83.01315	0.7
83.04976	2.8
85.02948	0.8
91.05492	4.0
93.07064	3.4
95.01318	0.8
95.04972	5.1
95.08614	1.5
97.06545	0.9
103.05476	58.2
104.05827	0.9
105.03438	0.7
105.04534	1.0
105.07042	6.4
105.66142	0.7
107.04948	4.0
107.08604	1.3
109.02879	1.4
109.10143	1.8
113.30888	0.6
115.05450	1.0
117.07001	3.3
119.04984	0.8
119.08588	5.3
121.06507	2.0
121.10139	1.1
123.04483	1.1
128.06216	2.0
129.07031	3.4
130.07738	0.9
131.04938	100.0
131.08566	4.3
132.05281	1.5
133.06493	2.7
133.10118	4.2
135.04437	1.0
135.08072	1.5
141.07030	1.6
142.07785	1.5
143.08571	4.8
145.06514	3.1
145.10144	1.5
147.08043	3.5
149.05972	4.7
149.09596	1.3
151.07524	1.1
153.05473	1.0
153.06931	0.9
154.07861	0.7
155.08575	2.1
156.09331	3.4
157.06458	1.0
157.10149	5.2
158.07352	0.8
159.08063	4.4
159.11681	1.1
161.06015	2.7
161.09660	3.0
163.07585	1.2
165.06982	1.1
166.07819	1.1
167.08556	0.9
168.09373	1.3
169.06467	2.1
169.10139	3.0
170.07326	0.7
170.10915	2.3
171.08049	3.8
171.11679	7.5
172.08841	0.8
173.09650	3.0
173.13318	1.1
175.07581	1.8
177.05553	1.5
177.09140	1.1
179.07077	1.4
179.08455	1.3
179.10652	0.7
180.09224	0.9
181.06572	0.7
181.10139	2.9
182.10846	0.9
183.08069	1.8
183.11711	4.7
184.08836	2.4
184.12428	0.9
185.06018	1.9
185.09601	5.4
185.13257	1.2
187.07593	1.8
187.11113	1.8
189.09132	2.7
193.10260	0.9
194.10876	1.4
195.08064	1.1
195.11749	1.4
197.09662	6.8
198.10400	1.0
199.07552	2.2
199.11177	8.7
200.11940	4.2
201.09137	1.6
201.12721	1.6
203.07127	1.0
207.11700	2.4
208.12523	1.0
209.09644	4.6
209.13364	0.9
210.10365	1.0
211.07556	1.0
211.11150	4.1
213.09120	1.4
213.12779	1.4
217.08493	5.9
217.10434	1.0
219.06389	1.0
219.08354	0.8
219.10133	1.7
221.09671	0.8
221.13353	1.4
223.11305	0.9
225.09184	3.2
227.07162	1.0
227.10661	24.1
229.12326	1.6
229.14525	1.1
231.10191	2.1
233.09839	0.8
237.09001	0.9
237.12753	1.4
239.10703	1.6
241.12196	1.5
243.11856	1.1
245.07916	1.4
245.11555	5.5
247.14932	1.2
249.13147	0.8
251.10620	1.0
253.12453	1.1
257.11618	1.3
258.13989	0.8
259.14813	0.7
261.12836	0.9
263.14413	1.0
265.12296	1.4
269.11746	2.5
273.12482	0.8
275.14258	1.0
277.15933	1.1
287.12683	11.7
289.15680	0.8
291.13882	0.9
291.19400	1.1
292.20197	1.0
294.59210	0.7
295.16937	0.8
299.12891	1.6
303.13867	1.2
305.13751	6.8
313.15924	0.9
315.13766	0.8
317.15326	1.4
321.14841	2.5
326.13220	0.7
331.17114	0.8
333.14853	2.1
341.15186	1.2
343.16962	0.9
345.14880	2.3
346.15173	0.9
347.16577	1.6
357.15015	0.8
359.16455	3.5
363.15875	2.3
365.17438	1.9
369.14594	0.8
373.16718	0.9
377.17523	2.5
387.15878	2.9
391.17505	2.2
405.16751	4.3
415.15414	1.8
423.17551	0.9
429.17160	0.8
433.16583	2.4
447.17944	6.3
457.18124	1.1
465.19183	7.0
483.19983	1.9
509.21686	1.1
520.33240	0.8
551.22784	2.7
569.23737	1.0
613.24243	1.9
717.27661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94687	0.5
51.02384	0.9
53.03947	3.0
54.08593	0.5
55.01867	1.4
55.05502	1.3
60.05641	1.1
60.08144	0.6
67.05497	2.7
69.03439	5.0
69.07063	1.0
69.96538	2.5
72.08162	0.7
77.03940	1.4
79.05479	3.8
81.03411	2.3
81.07055	1.3
83.04989	1.6
85.06528	0.5
85.33570	0.5
88.36843	0.5
91.05486	4.8
91.59086	0.5
93.07059	2.9
95.04965	4.3
95.08615	0.8
97.02891	0.8
97.06501	0.6
98.21458	0.6
101.45441	0.5
102.04686	1.1
103.05473	60.7
105.03373	1.3
105.04513	1.6
105.07046	6.2
107.04946	3.0
107.08591	1.5
108.52787	0.5
109.02896	1.3
109.06491	0.7
109.10183	1.5
115.05458	1.8
117.07034	1.7
119.04929	0.8
119.08581	4.2
121.06519	1.8
121.10175	1.3
123.08065	0.9
125.05872	0.7
128.06224	2.0
129.06999	2.2
130.07820	0.6
131.04932	100.0
131.08582	5.3
132.05266	1.7
133.06479	1.8
133.10118	3.1
135.04398	1.5
135.08072	1.5
141.07001	1.9
142.07768	2.2
143.08571	5.4
145.06467	2.1
145.10121	2.4
147.04434	0.8
147.08029	2.7
149.05986	3.9
149.09595	0.9
153.07005	0.5
154.07756	0.9
155.08560	2.2
156.09328	3.9
157.06549	1.0
157.10132	4.3
159.08081	5.9
159.11699	1.3
161.05991	3.2
161.09601	3.2
163.07520	1.0
165.07072	1.9
166.07790	1.9
167.08556	1.6
168.09322	1.1
169.06497	1.4
169.10149	3.7
170.10889	1.6
171.08104	3.0
171.11716	7.9
172.08870	0.8
173.05977	0.9
173.09602	2.6
173.13242	1.0
175.07559	1.1
177.05487	1.5
177.09189	1.1
179.08553	1.6
180.09348	0.7
181.10124	3.3
183.08080	2.2
183.11667	3.6
184.08810	3.4
184.12392	0.7
185.06006	2.3
185.09642	4.8
185.13275	2.0
187.07576	2.0
187.11186	1.2
189.09125	2.8
193.08537	0.9
193.10144	1.9
195.08098	1.2
195.11696	1.7
196.08850	0.7
197.06017	0.9
197.09613	5.6
197.13275	0.7
198.10376	0.7
199.07504	1.5
199.11205	8.3
200.11948	3.3
201.09180	1.3
201.12743	2.1
203.07036	1.5
205.08542	1.2
205.10233	0.8
206.10962	0.6
207.11681	1.2
208.12466	0.8
209.09648	4.8
209.13240	1.5
210.10315	1.3
211.07607	1.2
211.11140	4.1
212.08386	0.7
213.09116	1.9
213.12761	2.0
215.10664	0.6
216.07838	0.9
217.08562	6.5
217.12059	0.8
218.10947	0.8
219.09956	1.1
219.11829	1.1
220.12395	0.8
221.09599	1.2
221.13313	1.2
222.13780	0.6
223.11185	1.7
224.11998	0.7
225.09193	3.0
225.12837	1.3
227.10664	25.4
228.11317	0.7
229.08456	1.1
229.10402	0.8
229.12265	1.2
230.10864	0.8
231.10199	1.7
231.13882	0.6
232.12589	1.0
233.09624	1.0
233.13350	1.1
235.11319	1.2
235.14839	0.9
236.11656	0.6
237.09143	1.6
237.12750	1.2
239.10710	1.6
241.12238	1.2
243.11781	1.2
243.13832	0.7
245.08015	1.8
245.11450	3.6
247.09393	0.8
247.11398	0.7
247.14955	1.2
248.11877	0.7
249.11078	1.3
249.16394	0.6
251.10730	1.3
252.11569	0.6
253.12189	1.2
255.10196	2.2
257.11765	1.5
259.13156	0.6
259.15198	0.7
261.12936	0.8
262.13538	0.9
263.10760	1.2
263.14398	1.2
265.12140	0.9
267.10107	0.8
269.11838	2.2
271.15118	0.7
273.12607	0.7
275.14331	1.4
276.15012	0.9
277.12112	1.0
277.15863	1.3
281.12790	0.8
284.12381	0.5
286.13651	0.7
287.12689	12.8
293.11914	0.8
293.15326	0.6
299.13019	1.1
299.17767	0.6
303.13718	1.0
305.13715	5.6
313.15479	1.2
315.13663	0.9
317.15253	1.3
321.14810	2.1
327.13629	1.0
329.15451	1.4
331.16974	1.4
333.14874	1.3
335.16202	1.1
341.15417	1.0
343.16888	0.6
345.14813	2.2
347.16486	0.9
349.14417	1.0
359.16458	2.7
363.15964	1.9
365.17542	1.7
371.15057	0.6
372.13873	0.9
373.17368	0.8
377.17496	2.7
387.15726	2.8
391.17853	2.8
401.17001	0.7
405.16849	4.2
415.15433	1.6
419.18747	1.0
423.17734	1.1
429.17178	1.0
433.16422	1.6
447.18042	5.5
451.21320	1.3
457.18518	1.1
465.19003	9.0
483.20334	3.0
491.20615	1.0
520.33582	0.9
533.21826	0.9
551.22742	2.9
569.23846	1.4
613.24170	1.7
699.27667	0.8
717.28143	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.9
53.03944	2.4
53.93449	0.9
55.01860	1.9
55.05495	1.9
66.90001	0.9
67.05516	1.6
69.03431	6.8
69.07050	0.9
69.22930	8.8
69.71002	0.8
73.23652	0.9
77.03912	1.2
79.05491	6.2
81.03414	2.8
81.07064	1.8
83.04977	3.8
91.05486	6.5
93.03421	0.9
93.07047	4.1
94.71301	0.8
95.01312	1.2
95.04975	6.7
98.20669	1.7
103.05474	49.2
105.04549	0.9
105.07041	7.7
107.04945	4.9
107.08559	2.4
109.02893	1.8
109.06517	2.5
111.54324	0.8
115.05454	3.0
117.07011	3.3
117.31483	0.8
119.08592	8.1
121.06498	2.5
121.10130	1.9
123.04458	1.8
128.06255	3.1
129.07005	4.1
130.07800	1.1
131.04936	100.0
131.08578	6.7
132.05347	1.2
133.06474	3.2
133.10159	6.5
135.04395	2.1
135.08101	1.5
137.02336	1.2
141.07016	2.5
142.07753	2.7
143.08566	7.4
145.06471	3.3
145.10132	2.8
147.04329	1.0
147.08063	4.8
149.05989	8.9
149.09618	1.4
153.05431	1.5
153.07019	1.8
154.07785	1.8
155.08525	4.3
156.09344	6.5
157.06438	1.8
157.10162	7.1
158.07306	1.4
159.08072	7.1
159.11659	1.4
161.05954	4.1
161.09583	4.4
163.07564	2.3
165.07027	3.3
166.07822	2.3
167.07198	0.8
167.08589	2.7
168.09366	1.5
169.05107	0.9
169.06488	2.7
169.10107	6.2
170.10921	2.3
171.08101	4.8
171.11699	13.0
173.09660	5.1
173.13286	1.4
175.07570	2.4
177.05467	1.1
179.07076	1.0
179.08574	1.7
180.09381	1.0
181.06549	0.8
181.10152	5.4
182.07239	1.3
182.10899	2.4
183.08101	3.6
183.11684	10.1
184.08864	4.9
184.12390	0.9
185.05991	3.9
185.09628	9.1
185.13274	3.4
186.10439	1.2
187.07578	3.8
187.11192	2.2
189.05635	1.4
189.09151	3.2
191.08673	1.8
192.09377	1.1
193.08617	1.0
193.10161	4.2
194.10947	1.7
195.08067	2.1
195.11743	2.3
196.08810	1.8
197.05922	1.0
197.09645	13.0
197.13287	2.4
198.10469	1.6
199.07559	2.8
199.11185	15.1
200.11977	5.7
201.09068	1.5
201.12801	2.5
202.07884	0.9
203.07007	2.3
204.09464	1.4
205.08559	1.3
205.10214	2.3
206.23605	0.9
207.11707	3.6
208.12520	1.0
209.09625	7.5
209.13309	1.6
210.10399	2.0
211.07603	1.2
211.11192	5.7
212.08376	1.3
213.09195	2.8
213.12729	4.5
215.10603	1.9
217.08511	8.2
217.10162	1.4
217.12219	1.7
218.10844	1.3
219.06410	1.4
219.08310	1.3
219.10112	2.4
219.11905	1.5
220.12537	2.2
221.13257	1.3
223.07697	1.0
223.11221	4.0
223.14673	1.2
225.09088	4.3
225.12709	2.1
227.07198	1.4
227.10681	38.8
229.10347	1.4
229.12305	2.5
230.10803	1.6
231.10126	2.8
231.11948	1.8
231.13785	1.3
232.12421	2.1
233.09668	1.4
233.13426	1.7
235.11264	1.9
235.14906	1.2
237.09119	2.9
237.12819	2.0
239.10693	3.9
241.12274	3.1
243.11720	2.4
244.12495	1.5
245.07948	2.0
245.11757	3.7
245.15413	1.3
246.14005	1.5
247.11241	2.7
247.14899	2.1
248.15759	1.0
249.08998	1.1
249.13054	1.6
251.10658	2.0
253.12238	1.4
255.10040	2.5
255.13989	1.3
257.11618	1.9
258.14203	1.2
259.11197	1.1
259.14856	2.7
260.12033	2.0
260.15430	1.0
261.12991	1.4
263.14404	1.3
267.10037	1.0
267.14093	1.0
269.11572	6.0
270.14014	1.8
271.13318	1.5
272.11917	1.6
273.12653	1.2
273.15182	1.5
275.10541	1.2
275.14282	2.9
277.15863	1.5
284.12045	1.5
284.15198	1.1
285.12677	1.6
285.16443	1.8
287.12726	18.0
289.12244	1.3
293.15393	1.6
295.13388	1.2
299.13449	1.5
301.15692	1.1
303.13638	2.6
305.13675	4.9
307.13300	1.0
313.15634	1.4
315.13522	1.9
317.15323	2.5
319.16904	1.0
321.14780	3.2
326.12909	1.2
327.13739	1.5
327.17319	1.7
329.15280	1.5
331.16861	3.5
333.14743	2.3
335.16592	1.1
341.15253	1.9
345.14819	2.8
345.18552	1.4
347.16437	3.0
349.18091	1.5
354.12564	1.1
355.17023	1.0
359.16241	5.2
363.15900	2.5
365.17621	4.3
369.14862	1.4
371.15222	1.2
373.17816	3.8
377.17398	4.1
387.15952	5.1
391.18826	4.3
401.17352	2.5
403.15198	1.3
405.16595	4.9
415.15015	2.3
419.18771	4.2
429.16489	1.2
433.21024	4.6
435.17969	1.1
437.19604	1.9
447.18256	6.7
451.21588	4.4
457.18604	2.5
465.19131	11.0
469.22189	2.1
483.20093	2.4
509.22040	1.0
551.22656	2.3
613.24445	1.6
692.10217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
53.33273	2.4
54.41988	2.9
55.01869	10.9
55.05517	18.7
66.36710	2.7
67.05498	9.2
71.54984	3.6
79.05496	12.2
81.03410	14.9
81.07051	8.5
83.04984	30.1
91.05467	24.0
93.07040	11.9
95.04940	12.5
95.08612	6.5
97.06538	2.7
103.05474	48.7
105.07038	14.6
107.04960	5.0
107.08601	8.9
109.06543	4.7
109.10139	3.5
115.05456	7.1
117.07003	17.3
119.08592	29.5
121.06516	4.8
121.10139	4.8
128.06221	7.2
129.06992	16.9
130.07819	3.3
131.04932	100.0
131.08574	13.3
133.06487	4.8
133.10144	29.2
134.08763	2.6
141.06931	3.8
142.07822	10.6
143.08580	22.1
145.06456	13.9
145.10133	17.1
147.08049	60.8
147.11697	4.6
149.09682	8.0
155.08540	3.8
156.09363	12.4
157.10135	30.9
159.08055	27.4
159.11691	20.0
161.09631	31.5
163.07541	37.6
163.11165	4.4
165.06969	3.8
166.07759	3.0
169.10133	12.4
170.10890	8.9
171.08069	10.0
171.11694	40.2
172.08784	3.0
173.05986	3.3
173.09659	20.7
173.13228	8.7
175.07556	8.5
175.11154	5.9
181.10155	5.4
183.08104	2.8
183.11708	32.3
185.09622	12.4
185.13272	38.4
187.11201	7.0
189.09076	4.6
193.10194	5.2
195.11673	6.8
197.09709	7.1
197.13275	10.3
199.11128	15.5
201.09071	7.3
201.12744	7.8
203.14478	3.7
205.12207	4.0
207.11699	7.6
209.09685	5.2
209.13330	3.6
211.11169	11.1
213.12761	30.2
217.12141	3.3
221.13361	3.6
223.11201	7.6
223.14743	4.5
225.12787	5.1
229.12234	9.3
231.13797	7.7
235.14874	3.7
239.10863	3.4
241.12311	15.3
241.14316	2.7
243.11418	3.2
243.13799	7.8
245.15341	25.1
249.12779	3.5
251.14412	4.4
255.13844	6.6
257.15466	4.9
259.13107	12.6
261.12631	5.7
269.13239	4.0
273.14948	22.3
291.16025	4.9
297.12558	4.2
299.14078	5.6
303.17368	2.7
312.52545	3.0
315.17575	6.8
317.18918	4.9
327.17386	9.0
329.19086	4.4
333.18311	3.4
341.19055	8.8
345.18436	9.3
359.20004	6.9
369.18384	5.7
375.19711	2.9
387.19485	14.3
389.20932	9.5
391.22662	11.0
401.21252	18.3
405.20670	4.8
407.22174	6.6
419.22174	43.8
437.23026	14.7
443.24234	3.0
519.27478	5.7
533.28149	2.9
534.27753	2.9
537.27887	4.8
653.30524	7.3
685.33026	9.2
685.44098	3.3
716.43311	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	716.364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64864	2.7
53.03943	3.8
55.01883	5.8
55.05268	3.9
55.05514	61.1
55.81216	2.6
67.05518	4.9
69.03440	4.7
69.07056	3.3
74.09709	6.2
79.05496	10.2
81.07044	6.8
83.04987	100.0
91.05470	11.6
93.07049	7.7
95.04980	6.0
95.78751	2.9
103.05469	16.2
105.03418	5.2
105.07045	19.1
107.08602	5.5
109.06524	5.6
109.10132	2.9
115.05457	4.5
115.33061	2.6
117.07023	12.3
119.08592	19.5
121.06469	3.2
123.08083	2.7
128.06192	4.2
129.06978	4.8
131.04953	26.5
131.08575	10.8
132.05299	5.0
133.06485	11.6
133.10159	16.4
135.08015	3.3
141.07085	2.7
142.07764	4.5
143.08542	11.9
145.06487	13.1
145.10136	5.9
147.08057	7.4
149.06027	4.2
149.09616	6.5
155.08572	6.0
156.09338	8.3
157.10164	17.9
159.08031	8.5
159.11710	8.3
161.05960	16.3
161.09619	11.0
163.07547	5.8
166.07875	2.8
167.08560	3.6
169.10144	10.2
170.10858	3.8
171.08047	7.5
171.11703	30.9
173.06007	6.0
173.09625	9.5
175.07495	3.6
177.09074	3.9
183.08052	3.2
183.11662	27.7
184.12247	4.7
185.09625	7.5
185.13303	14.7
187.11165	7.0
189.05502	5.8
189.09047	6.9
193.10080	3.7
195.07983	3.6
195.11673	6.1
197.09688	4.0
197.13185	5.5
198.10428	4.2
199.11182	14.3
201.09135	3.9
201.12708	2.8
203.10603	3.8
207.11812	4.0
208.12320	3.1
209.13301	4.6
210.10274	3.2
211.11154	7.5
213.12711	16.6
215.10680	3.4
216.09378	2.8
217.08618	3.9
217.12299	3.3
219.11726	4.0
221.13416	5.2
223.11290	4.9
225.12727	4.5
227.10605	5.6
229.12256	6.9
231.11725	6.2
231.13863	8.9
233.13345	4.9
235.11203	3.6
235.14696	3.2
241.12282	6.2
243.13821	5.8
245.13478	4.5
247.14848	7.0
249.16505	3.3
251.14194	2.9
257.13339	3.2
258.14130	4.2
259.13397	7.8
269.13156	2.4
271.15048	3.7
273.12674	3.0
281.13284	2.6
287.14368	5.4
289.12250	3.2
290.16574	3.9
299.14197	3.1
301.16003	3.5
315.17465	5.2
329.15262	3.3
331.16809	4.8
343.16846	7.1
345.14713	6.2
345.18628	3.4
347.20190	3.5
357.18430	11.8
361.18045	5.9
369.20450	3.5
373.17850	8.6
375.19513	14.1
385.17947	21.3
391.19110	6.0
393.20697	4.7
403.19043	45.2
421.20142	35.6
439.21176	3.4
463.21234	16.1
481.22125	9.9
503.24084	7.4
554.27728	3.5
563.26434	9.7
581.27625	14.0
663.31458	13.2
716.33710	8.2
717.27637	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	716.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01873	2.8
55.05508	4.0
67.05498	3.7
69.03434	3.6
69.07078	2.3
71.05002	1.6
79.05495	7.6
81.07056	8.2
83.04984	6.4
84.61475	1.6
91.05497	9.7
93.07043	6.4
95.04987	4.2
95.08633	8.7
97.73100	1.7
101.02418	1.9
103.05467	20.7
105.03436	3.0
105.07053	9.9
107.04928	5.3
107.08611	8.4
109.06499	4.7
115.05428	3.7
117.07015	5.6
119.08585	12.9
121.06509	4.9
121.10136	1.9
123.04398	1.9
123.08070	4.3
128.06245	2.8
129.06975	5.5
131.04941	46.9
131.08611	10.1
133.06522	3.6
133.10143	6.8
135.08044	10.6
137.05975	2.5
137.09639	2.3
142.07803	2.8
143.08546	8.8
145.06497	3.5
145.10144	9.9
147.08028	10.8
149.05974	2.8
149.09608	4.7
155.08540	4.0
156.09337	5.3
157.06540	2.8
157.10130	14.6
158.07339	1.6
159.08049	9.8
159.11679	5.3
159.72620	1.6
161.05960	3.9
161.09604	7.0
163.07608	7.5
163.11188	6.3
165.07153	1.8
165.09125	2.4
167.08530	1.7
169.10147	8.5
170.10876	4.9
171.08032	5.5
171.11702	31.0
172.08797	1.9
173.06049	1.8
173.09633	14.5
173.13263	2.7
175.07611	2.1
175.11188	2.6
177.09132	1.8
179.08578	2.0
181.10095	3.5
183.08070	3.6
183.11702	26.4
184.08839	1.9
184.12421	2.4
185.09619	6.9
185.13274	15.5
187.07581	2.2
187.11180	7.1
189.09085	4.5
193.10162	4.8
194.10928	2.7
195.11722	4.1
197.09561	4.5
197.13268	2.9
199.07549	5.0
199.11238	11.7
200.11920	3.4
201.09163	2.4
201.12712	7.2
203.10771	2.3
205.10411	1.7
205.12222	5.5
206.10944	2.6
207.11697	5.6
209.09685	2.2
209.13239	4.8
211.11183	10.7
212.11694	2.0
213.09213	3.6
213.12741	22.9
215.10670	3.8
217.12190	1.6
219.11797	3.8
219.37675	1.9
221.13246	7.3
223.11160	3.8
223.14731	3.3
225.12846	3.3
227.10762	2.5
229.12357	3.1
230.11131	1.9
231.10005	3.4
231.11906	2.4
231.13768	3.1
233.13446	3.4
234.13907	2.0
235.11226	2.1
235.14809	5.1
236.15642	2.1
237.12726	5.8
237.16418	2.7
239.10547	2.2
241.12167	2.5
243.11766	2.2
243.13971	3.3
244.12372	2.0
245.08000	3.7
245.13354	2.3
245.15369	4.2
246.14024	2.8
247.11183	2.3
247.14865	3.6
249.12758	4.6
249.16389	6.7
251.14369	3.3
257.13278	1.9
258.13995	2.8
259.11176	1.7
259.14886	4.6
261.12698	3.2
261.16275	5.0
262.13278	2.3
263.14291	4.6
264.15234	1.8
265.15927	3.5
267.17334	2.9
273.12402	2.2
273.14987	6.3
275.14282	3.8
275.18042	2.5
276.15155	2.8
277.15768	8.0
279.13873	1.8
279.17328	2.7
281.15320	2.3
287.14316	2.7
289.15768	3.9
291.17499	3.4
295.16949	4.5
299.14166	1.8
301.15872	2.9
303.17291	2.8
305.15439	3.4
307.16891	4.9
309.18411	4.6
317.15427	3.8
319.16873	4.3
321.18436	4.1
329.15247	2.0
331.16861	3.9
337.18054	2.9
349.17883	3.4
351.19617	2.0
359.16272	3.6
363.19504	3.0
367.19012	2.0
369.16013	3.5
369.20645	64.5
370.21155	2.5
373.17819	3.8
377.17459	4.9
387.21829	2.4
391.18997	6.3
395.18436	4.7
405.20859	2.0
409.20218	10.6
411.21707	1.7
419.18448	5.0
423.21646	5.6
427.21228	11.4
433.19919	4.5
437.19409	6.3
439.21173	4.4
441.23007	2.7
451.21155	13.5
455.20297	2.7
459.24142	2.9
465.22876	2.0
469.22223	23.7
483.23636	6.2
487.23325	60.1
488.23184	2.2
501.17877	2.8
501.24826	28.6
519.25916	100.0
520.26758	2.4
613.28314	2.0
617.27539	5.3
631.28265	2.0
649.29932	8.4
660.16858	1.9
667.30786	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	716.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.5
53.03942	2.9
55.01866	2.6
55.05523	6.8
67.05487	2.1
69.03397	1.1
69.07064	1.7
69.85499	4.2
73.65958	1.0
79.05495	5.9
81.03437	1.3
81.07080	5.7
83.04989	13.3
84.05324	1.7
85.02879	1.2
91.05500	6.9
93.07039	4.2
95.04977	5.1
95.08627	7.1
95.47106	1.1
97.06548	1.1
103.05473	31.2
104.05807	2.3
105.03387	4.8
105.07043	9.5
107.04951	6.1
107.08597	5.8
109.06493	2.8
111.08007	1.2
115.05447	2.2
117.07037	5.2
119.04935	1.5
119.08554	8.1
121.06505	3.8
121.10143	2.3
123.08104	2.1
128.06206	2.1
129.07024	3.3
131.04938	63.6
131.08601	5.8
132.05241	5.1
132.08905	1.3
133.06522	7.2
133.10143	5.9
135.04462	1.2
135.08081	3.2
137.05939	1.5
137.09567	1.4
141.06944	1.5
142.07768	2.9
143.08586	8.1
145.06490	4.5
145.10158	6.3
147.08020	4.4
149.05988	1.2
149.09610	4.8
154.07806	1.4
155.08562	3.7
156.09366	5.0
157.06551	1.3
157.10114	10.9
158.07198	1.2
158.10498	1.8
159.08060	5.3
159.11705	7.6
160.12021	2.3
161.06023	6.2
161.09645	3.9
163.07562	3.7
163.11166	2.7
165.07024	1.2
166.27631	1.1
168.09343	1.6
169.06541	1.1
169.10138	5.8
170.10857	2.2
171.08092	6.5
171.11696	31.1
172.12057	1.7
173.09624	7.5
173.13283	3.0
175.07556	3.5
177.09059	2.1
179.08542	1.9
181.10129	2.9
183.08087	2.0
183.11710	34.6
184.12161	3.3
185.09668	5.3
185.13264	13.5
187.07504	1.5
187.11212	5.0
189.05508	2.0
191.06920	1.2
191.10707	1.4
192.09203	1.5
195.08099	1.5
195.11740	5.3
196.08737	1.2
197.09673	5.3
197.13225	4.5
198.10376	1.4
198.13678	1.2
199.07559	1.3
199.11139	7.0
201.09087	1.8
201.12762	4.8
203.10794	1.2
205.10327	1.3
205.12346	1.8
206.10822	1.3
207.11736	5.1
208.12343	1.9
209.09634	2.0
209.13194	3.9
211.11174	6.5
213.09145	2.2
213.12766	13.1
214.13316	1.4
215.10568	1.7
217.08514	1.5
217.12225	1.7
219.11705	2.4
220.12457	1.8
221.13274	3.5
222.13853	1.5
223.11174	2.7
223.14835	2.1
224.11957	1.2
225.09122	3.1
225.12772	2.6
229.12274	2.9
230.10890	1.5
231.11696	3.1
231.13867	3.1
232.12331	1.8
233.13338	2.1
233.15410	1.7
234.10474	1.5
234.14030	2.3
235.11150	1.6
235.14783	4.0
237.12730	2.5
237.16310	1.6
241.12340	1.8
243.11681	1.6
243.13751	5.8
244.12280	3.3
245.13232	1.9
245.15414	6.0
246.13934	2.5
247.11292	2.1
247.14761	3.5
249.12840	1.9
249.16315	3.6
251.14406	1.2
251.17876	1.1
255.13835	2.0
258.13980	1.6
259.15079	1.3
260.15381	1.6
261.12582	1.5
261.16650	1.6
262.13370	1.5
263.14191	1.7
271.14853	1.6
272.11838	1.7
273.14966	4.1
274.13425	1.5
275.14087	1.5
277.15887	4.0
278.16400	1.3
279.17480	2.0
281.46375	1.2
284.15433	1.5
285.16290	1.7
287.14108	1.1
289.15982	2.3
291.17197	2.1
293.15289	1.1
295.17239	1.4
302.16254	1.8
303.17349	2.6
305.15329	2.3
307.16843	1.5
312.14783	1.2
313.15836	1.7
317.15283	1.4
319.16812	2.3
329.15396	2.0
330.15649	1.3
331.16785	3.7
333.18341	1.9
337.18057	2.4
343.16879	2.0
344.17398	1.8
347.16513	2.6
348.16623	1.7
349.17932	2.2
351.19446	1.8
358.15427	1.6
359.16116	1.4
361.17935	1.9
362.18274	1.4
363.19693	1.8
369.20636	100.0
370.20972	3.5
371.22003	2.5
372.16534	1.5
373.17844	2.0
377.17380	1.4
379.18356	1.1
381.20575	2.5
387.21924	1.7
389.17438	1.9
390.17859	1.1
391.18835	3.0
399.21173	1.2
401.17520	2.2
403.19357	2.6
404.19724	1.4
409.20187	11.4
411.21600	1.1
419.18607	3.5
421.20181	2.0
422.20578	2.6
423.21521	3.6
427.21088	12.8
433.20062	1.9
437.19421	2.6
440.21310	1.2
441.22617	1.5
445.22128	1.5
450.19781	3.5
451.21133	3.9
463.17383	1.3
465.22702	1.5
467.20474	1.2
469.22351	6.6
483.23788	1.7
487.16708	0.7
487.23224	18.0
501.24625	5.2
519.25897	8.9
557.25403	2.5
569.23639	2.1
575.26294	4.4
599.27112	1.2
617.27313	2.3
656.23645	1.4
716.27124	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.05512	13.7
56.77287	2.2
67.05482	7.3
67.59752	2.1
69.03415	5.6
69.07028	2.5
69.81578	2.8
69.81854	12.2
74.09704	3.5
79.05487	10.1
81.07050	11.9
83.04979	20.8
85.02922	4.0
85.06521	2.9
91.05484	19.9
93.07026	9.8
95.04972	11.9
95.08624	11.6
97.02923	2.4
99.04458	3.1
103.05469	37.3
105.03388	13.8
105.07030	24.2
107.04922	9.2
107.08597	12.2
109.06517	9.1
115.05460	7.0
117.07019	15.8
119.04958	6.2
119.08590	22.2
121.06493	10.8
121.10161	2.4
123.08067	9.8
128.06178	4.7
129.06989	7.8
130.07796	3.3
131.04933	92.1
131.08586	18.1
133.06497	12.8
133.10156	14.6
135.04434	2.8
135.08073	10.5
137.05940	4.4
141.07011	2.7
142.07765	7.0
143.08577	16.2
145.06436	8.6
145.10158	16.0
146.07317	3.4
147.08087	15.6
147.11729	2.8
149.05997	5.3
149.09601	6.8
151.07513	3.2
155.08501	7.2
156.09364	8.8
157.06499	2.9
157.10112	31.9
159.08072	17.6
159.11719	13.6
161.05939	8.8
161.09622	10.7
162.06706	4.5
163.07523	10.0
163.11201	8.4
167.08501	6.9
168.09224	4.9
169.10101	9.9
170.10886	9.9
171.08122	13.8
171.11699	48.4
172.08749	4.6
173.06004	4.6
173.09663	23.3
173.13298	3.9
175.07527	7.9
175.11174	5.7
177.09128	11.9
178.36751	2.3
179.08636	2.9
181.10075	4.5
182.10724	3.2
183.08073	4.3
183.11707	56.7
184.12323	2.9
185.09621	14.7
185.13249	29.7
186.10350	4.0
187.07512	6.0
187.11183	15.8
189.05412	3.6
189.09106	6.3
189.12769	2.6
192.09294	2.8
193.10146	6.2
194.11035	3.8
195.08124	3.9
195.11682	8.4
196.12477	3.2
197.09636	8.4
197.13292	6.5
198.10326	4.8
199.07503	4.2
199.11172	14.4
200.11800	4.4
201.09094	8.6
201.12708	10.7
203.10634	3.9
205.08556	5.2
205.10344	2.5
205.12080	5.4
206.11055	2.6
207.11713	6.8
208.12460	3.1
209.09633	2.5
209.13225	10.2
211.11200	18.0
211.14723	2.7
213.09256	5.5
213.12759	36.5
215.10727	5.9
215.14314	2.9
217.10246	3.4
217.12161	5.4
219.09949	3.1
219.11810	4.9
220.12317	2.8
221.09613	3.5
221.13202	9.0
222.10291	3.0
222.13963	3.2
223.11137	6.8
223.14838	4.4
225.12772	5.8
229.12245	6.3
230.10841	3.2
231.11816	4.9
231.13817	7.5
232.12296	3.1
233.13347	5.3
233.15340	3.6
234.13907	3.8
235.11174	4.0
235.14787	7.5
237.12729	6.2
237.16245	3.1
239.10599	6.1
239.14378	3.8
241.12233	5.8
243.11800	4.8
243.13794	7.8
244.12402	3.7
245.13414	3.0
245.15390	10.6
246.13995	4.3
247.14766	8.7
248.15483	3.3
249.12759	6.3
249.16345	7.4
250.13594	3.4
251.10611	4.1
251.14351	5.2
255.13885	3.5
257.13361	5.2
258.13934	3.9
259.10999	3.2
259.15024	5.1
260.11920	3.7
261.12674	6.4
261.16330	7.1
262.13403	3.3
263.14294	5.8
263.18097	3.0
265.15906	5.5
267.13809	4.3
270.14090	3.0
272.11810	3.6
273.14966	9.5
274.13571	2.5
274.55334	2.6
275.14258	4.6
275.17880	2.7
277.15845	8.7
279.13882	3.6
281.15601	3.5
285.16443	5.3
287.14288	6.2
289.12241	3.2
289.15701	6.3
290.16141	3.0
291.17172	5.1
295.16931	7.0
299.14377	3.5
300.14890	2.9
301.15820	3.5
302.16611	3.5
303.14056	2.6
303.17416	7.6
307.16928	6.2
309.18558	4.8
315.13818	3.5
315.17331	4.6
317.18869	3.2
319.16861	5.7
321.18552	3.2
329.15155	3.0
331.16895	10.5
335.16406	3.9
337.18097	4.1
339.19458	3.4
345.18356	8.1
347.16592	3.3
349.18054	7.1
351.19720	3.5
355.16589	3.3
359.16226	7.0
361.18130	4.4
363.19556	5.0
367.19150	4.6
369.20605	100.0
370.21198	3.4
371.16705	3.3
371.21628	3.9
372.17178	2.9
373.18079	7.2
377.17548	5.9
387.21710	13.2
389.17157	7.0
391.19034	12.3
395.18417	5.1
403.18875	4.8
404.20108	4.6
405.20612	3.9
409.20267	17.3
419.18326	4.2
421.19977	5.8
423.21552	9.4
427.21170	20.7
428.21353	2.6
429.22504	2.8
433.20038	13.0
441.22678	6.1
445.22086	9.3
450.20389	4.8
451.21304	20.2
465.22693	10.0
469.22134	25.4
483.23819	30.1
487.23300	47.6
495.24109	3.3
501.24863	15.5
519.18646	3.8
519.25940	56.5
535.26581	4.1
541.24701	3.4
575.26251	8.5
595.28644	2.9
599.25897	4.1
617.27771	2.8
635.28363	4.2
649.29840	6.4
665.29248	3.5
667.31055	4.5
681.32922	23.8
716.28302	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	716.363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40779	4.5
53.03939	7.0
55.01878	10.3
55.05518	44.0
56.52961	4.2
57.03423	6.6
66.82475	4.1
67.05511	71.5
67.30764	4.7
69.03417	8.8
69.07061	19.7
69.55022	19.2
69.55433	6.4
70.36273	5.1
79.05511	22.2
81.03403	9.3
81.07070	26.6
82.29195	4.6
83.04989	48.8
83.08621	9.4
84.51577	4.7
91.05493	23.7
93.07047	15.4
95.04948	7.2
95.08604	6.8
97.02892	7.9
97.10173	8.7
98.21481	10.1
103.05474	25.5
105.03426	4.8
105.07048	16.2
107.04941	7.3
107.08589	9.5
109.10159	69.5
117.07034	12.1
119.08597	24.3
121.06483	6.1
121.10161	7.4
129.06985	9.6
131.04941	38.5
131.08562	10.5
132.05252	6.2
133.10124	9.6
135.08078	6.4
143.08569	14.0
145.06483	6.6
145.10127	9.2
147.08011	20.1
149.09637	5.8
151.11119	7.6
156.09383	5.6
157.10127	14.3
159.08134	11.6
159.11682	5.8
161.09642	25.2
163.07526	5.1
169.10072	5.5
171.11760	7.9
173.11800	8.7
175.07542	7.3
183.11723	11.0
185.09560	10.4
185.13226	12.4
187.68344	4.5
197.09544	5.6
199.11241	7.5
207.11536	6.4
213.12793	20.8
223.13301	12.4
229.12320	9.0
229.14395	63.3
243.11803	5.7
245.15445	7.5
273.14975	11.5
273.18524	10.6
291.19550	70.6
344.51541	6.1
345.18466	4.8
359.19873	6.8
365.23294	41.7
387.19498	6.6
401.21265	9.2
419.22055	19.7
479.24225	7.1
519.33234	100.0
541.21167	5.3
607.30701	5.1
630.38177	4.9
631.09918	5.4
639.31201	12.0
686.71161	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	716.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.4
53.31905	3.0
55.01877	4.9
55.05515	61.2
60.04522	3.2
64.22689	3.1
67.05489	9.2
68.05038	7.1
69.03416	11.9
69.07054	5.4
70.02961	4.0
70.06596	22.1
71.40451	3.1
71.55875	5.2
72.04510	8.5
72.79002	3.1
79.05493	10.6
80.04966	3.9
81.03396	6.5
81.07053	19.8
82.06518	3.3
83.04990	100.0
84.04515	5.3
84.08123	3.5
85.02901	9.9
86.06055	5.7
86.09687	6.6
91.05500	25.8
93.07079	17.7
95.04975	19.4
95.08606	9.7
96.03896	6.3
96.04498	90.6
97.02888	3.7
97.06516	3.5
98.06070	7.2
103.05435	6.4
105.07041	33.0
107.04877	3.8
107.08584	16.7
109.02821	4.3
109.06517	8.2
109.10125	3.9
110.06046	4.1
114.05519	5.7
115.05437	9.8
116.07071	8.1
117.07008	24.1
118.05036	3.5
119.04939	4.0
119.08591	41.4
121.06474	6.1
121.09441	3.5
122.06026	5.8
123.08097	5.6
124.03970	67.7
127.03901	5.9
128.06197	6.8
129.07014	20.9
130.07806	3.2
131.04927	13.9
131.08566	39.5
133.06494	5.5
133.10159	17.4
135.08032	8.3
136.07532	4.2
137.05969	4.7
141.06966	5.9
142.04999	22.3
142.07764	13.5
143.08542	35.8
144.08052	5.7
144.09160	3.8
145.06494	14.0
145.10132	22.9
147.08107	15.9
147.11737	5.7
148.11176	4.6
149.09631	9.3
153.07095	4.4
155.08546	10.2
156.09253	10.7
157.08932	6.0
157.10133	53.5
158.09619	8.2
158.10861	4.6
159.08057	22.2
159.11708	55.3
160.07524	4.2
161.09604	12.4
165.06963	4.5
167.08539	7.2
168.09319	5.9
169.10126	30.7
170.04529	9.6
170.10954	7.5
171.08057	8.3
171.11711	51.8
172.08804	6.5
172.52534	4.2
173.09645	17.5
173.13281	19.3
174.09117	12.6
175.11229	7.5
176.10715	13.7
179.08621	4.7
181.10121	16.0
182.10973	3.9
183.08109	4.9
183.11710	74.5
185.09624	14.0
185.13271	19.7
186.09140	15.0
187.11215	25.2
188.10703	12.9
189.09093	3.4
189.12675	4.8
190.08563	4.1
192.09293	4.7
193.10117	11.5
193.12193	4.4
194.10878	5.7
195.08110	4.1
195.11700	13.0
197.09612	14.2
197.13361	5.8
199.11211	18.1
201.09149	3.6
201.12733	28.7
202.08688	16.3
202.12202	5.9
203.08496	3.8
204.10265	76.0
205.10204	6.8
206.10907	7.8
207.11633	14.3
209.09648	7.5
209.13293	5.0
211.11270	19.0
213.09152	5.5
213.12762	15.9
214.08617	12.9
215.10590	6.2
216.10236	26.9
217.10095	8.9
217.12000	9.9
219.11739	9.8
220.09633	6.7
220.12506	6.3
221.09703	5.7
221.13287	19.5
222.13936	4.1
223.11270	5.7
223.14841	4.7
225.12735	6.3
225.22017	5.9
228.10072	5.0
229.12248	17.9
230.08119	8.4
230.11583	9.5
231.11693	11.2
231.13797	7.0
232.09700	36.9
232.12451	15.9
233.09628	5.4
233.13260	10.8
233.15399	10.5
234.13947	5.8
235.11130	8.2
235.14818	12.1
237.12860	7.8
238.12462	3.7
239.10631	3.9
242.11586	6.3
243.13861	12.9
244.09651	9.3
244.12424	5.6
245.13406	9.8
245.15453	6.9
246.11200	5.7
246.13885	6.8
247.11188	5.1
247.14938	28.0
248.09155	12.3
248.12202	3.6
248.15495	5.1
249.12640	5.1
249.16496	6.2
250.10773	82.9
252.15854	4.1
254.11758	4.3
255.11615	4.5
256.13092	4.6
257.13254	10.2
258.14017	6.9
259.15012	4.7
260.09116	3.9
260.15497	4.5
261.12488	5.5
261.14771	10.8
261.16864	6.8
262.10706	14.8
262.13284	4.2
263.14212	7.2
264.12320	6.1
266.10248	4.6
269.13373	5.5
271.14874	10.1
271.22702	3.9
272.15656	6.5
273.12656	5.6
273.16376	7.2
274.13559	4.3
275.14340	9.4
276.08539	12.2
276.11624	3.8
278.10281	12.4
282.11176	5.0
284.15610	4.4
285.12650	3.6
285.16418	4.7
289.15643	10.6
290.16562	9.0
291.13681	4.3
291.17239	5.1
298.13373	3.9
299.14294	6.3
299.17975	6.0
300.12326	5.5
313.15735	4.2
316.11771	4.0
317.15369	5.9
318.13397	4.5
344.15097	5.5
372.19540	15.9
374.16980	4.0
386.21075	6.6
396.19269	5.6
402.20877	4.4
414.20471	14.2
416.22397	6.3
418.20322	20.8
420.21799	4.2
432.21738	25.5
434.19485	5.1
439.79340	3.5
442.20020	22.1
444.21652	4.1
446.19260	7.1
447.20737	3.2
449.21600	6.8
450.22296	7.5
460.21243	59.2
462.23099	6.8
470.19620	9.4
474.22412	7.0
478.22272	34.8
482.25385	4.8
488.20798	30.2
492.23868	34.5
494.25684	5.7
496.23721	4.1
502.22058	11.1
506.21820	43.9
510.24792	26.1
510.31671	5.8
520.23181	29.4
524.22864	10.6
528.25775	15.2
538.24347	57.1
542.24158	4.8
556.25317	35.6
559.63721	3.8
566.23529	8.2
584.24683	6.7
588.26978	7.5
598.25995	8.6
606.26514	13.0
616.27228	6.3
620.29272	6.0
638.28961	13.9
656.30347	11.0
666.29150	9.9
684.30078	15.9
698.32343	19.8
716.33936	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	716.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68877	1.8
53.03946	2.4
55.01875	4.2
55.05518	19.1
65.03970	2.2
67.05512	3.7
68.05008	2.3
69.03431	15.7
69.07074	3.3
70.06594	30.6
71.05009	2.6
72.04512	2.4
79.05111	1.6
79.05474	9.6
81.07061	11.2
81.07479	1.8
82.02956	16.2
83.01338	2.8
83.04980	26.3
84.04523	3.9
84.05310	2.8
85.02898	2.5
86.06072	30.2
87.04465	16.8
91.05473	16.7
91.05947	1.9
93.07041	10.4
94.06578	3.9
95.04975	8.9
95.08627	6.8
96.04498	7.1
96.08118	2.6
97.06509	2.7
98.05420	4.8
98.06060	100.0
98.20737	4.1
103.05470	9.8
105.03423	3.0
105.07030	20.7
107.04967	3.2
107.08595	11.2
109.06538	5.2
113.06035	2.1
114.05566	9.7
115.05441	13.7
116.07108	7.6
117.07021	53.9
119.04962	2.2
119.07778	3.5
119.08588	31.2
121.10175	2.5
122.06065	16.8
124.07591	14.2
125.05973	2.2
126.05556	3.4
128.06253	5.0
129.07018	16.8
131.04948	13.1
131.08571	22.8
132.05252	2.7
133.06505	8.9
133.10136	8.3
135.08107	6.3
136.07590	2.2
140.07108	9.2
141.07054	4.3
142.05000	8.7
142.07816	6.1
143.05003	3.6
143.08574	21.0
144.06572	26.6
145.06491	24.3
145.10150	14.1
147.08047	10.5
149.09608	9.4
150.05482	19.5
152.07118	3.6
154.07820	2.5
155.08565	13.0
156.09335	9.8
157.06523	3.6
157.10135	29.3
159.08057	14.1
159.11711	24.6
161.05980	5.3
161.09674	6.1
165.06975	2.6
166.07866	3.2
167.08543	14.2
168.06590	27.4
168.09378	5.1
168.62273	1.9
169.07011	5.0
169.10132	24.2
170.10915	5.9
171.08073	7.3
171.11705	28.8
172.08864	3.0
172.11285	2.6
173.06017	2.7
173.09648	16.1
173.13289	7.0
175.07672	2.9
175.11282	2.7
177.09111	3.9
179.08620	4.8
179.10704	2.4
181.10176	7.8
183.08054	4.2
183.11699	87.1
184.12170	5.3
185.09686	8.2
185.13338	10.1
187.11183	13.8
191.10649	3.1
192.09245	2.6
193.10123	9.9
195.08000	5.1
195.11732	10.0
196.08955	3.2
197.09601	10.5
197.13278	4.0
199.11165	17.2
200.10643	10.3
201.09135	5.4
201.12744	18.5
202.12259	18.9
205.10162	5.1
206.10904	3.4
207.11678	13.4
208.12511	3.3
209.13313	5.9
211.11157	16.6
212.10632	2.3
213.09166	3.0
213.12737	12.1
214.12399	7.1
215.10677	6.5
217.10164	7.6
217.12167	3.1
218.10840	3.0
219.11752	8.8
220.12410	2.3
221.09784	3.3
221.13261	10.0
223.11211	4.2
223.14864	2.7
225.09229	2.5
225.12724	3.6
228.10191	5.6
229.10345	2.4
229.12300	12.4
230.11795	27.9
231.11728	10.1
231.13876	6.9
232.12306	11.1
233.09686	3.4
233.13239	9.7
233.15508	6.9
234.13995	4.3
235.11287	4.5
235.14685	4.3
237.12761	4.0
239.10611	3.3
241.10013	2.3
241.12238	3.5
242.11444	5.7
243.11665	8.4
243.13907	10.7
244.12486	5.0
245.09602	2.9
245.13161	9.6
246.11240	14.0
246.14052	8.3
247.11232	4.5
247.14896	26.6
248.12854	52.9
248.15410	5.2
249.12906	3.9
249.16357	2.3
251.14325	2.5
253.12395	2.6
255.11740	6.1
256.09625	5.0
256.12781	7.3
257.13419	9.9
258.11179	5.9
258.14120	7.6
259.11172	4.0
259.14822	7.9
260.12671	8.7
261.12735	4.1
261.16360	8.7
262.14212	2.0
262.17108	2.9
263.14105	3.9
264.12143	2.4
269.13284	7.1
270.13950	9.2
271.14825	8.3
272.12628	2.7
272.15588	4.4
273.12576	3.7
273.16827	2.7
274.10965	4.1
274.14044	5.8
274.17188	2.3
275.14465	9.9
275.17130	2.1
276.12357	7.1
276.15295	2.2
277.12299	3.1
277.15698	3.3
280.13071	3.9
282.14716	3.6
283.11133	4.7
283.14706	4.2
284.15607	4.0
285.13080	3.5
285.16437	16.9
287.14401	3.9
287.17780	3.7
288.15250	3.8
289.16098	13.2
290.16635	6.3
291.13693	2.2
291.17242	3.1
294.14041	4.5
297.12723	5.6
297.16098	2.9
298.14133	8.9
299.14603	3.7
299.17966	9.5
300.15332	3.2
301.15811	3.7
303.17346	3.8
305.15338	2.8
309.16235	3.1
311.14310	3.5
312.15213	3.7
313.15820	6.8
317.15314	6.0
321.18399	6.2
327.17395	14.9
329.18866	3.9
331.16788	4.0
337.15918	3.7
345.18594	3.6
349.18292	2.8
355.16772	10.1
369.20459	4.5
373.17896	4.5
387.19748	5.8
398.21011	6.2
400.18884	2.5
412.22592	9.4
416.22171	18.9
422.21219	2.4
426.20474	4.6
430.23865	13.7
438.19778	4.2
440.22153	20.4
444.21338	4.3
446.22852	2.2
448.24576	2.5
455.24396	2.2
456.21674	2.5
458.23230	41.7
468.21542	12.4
472.24847	7.9
476.24518	9.8
486.22806	25.4
490.25937	33.3
500.24283	21.2
504.23746	8.8
506.25922	2.0
508.26816	8.4
512.26581	4.6
518.25366	33.9
536.26373	20.2
546.25018	14.2
554.26526	4.0
560.26300	2.2
564.25824	10.1
578.27570	12.8
596.28577	11.7
598.29883	2.4
606.27020	12.8
614.29785	9.5
624.27771	7.4
638.29572	7.2
653.33411	3.6
656.30658	17.1
666.29205	4.0
684.30103	4.3
698.32874	10.3
716.33063	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	715.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.01863	1.3
55.05517	16.4
67.05492	3.4
69.03429	1.6
69.07031	1.3
69.30511	5.9
69.30927	2.9
70.54722	1.1
79.05481	4.4
81.03382	1.1
81.07062	2.0
83.04984	21.2
85.02909	1.4
91.05486	12.1
93.07049	6.0
95.04984	5.3
95.08607	2.6
97.06542	2.2
99.04456	1.2
101.06007	1.1
103.05474	52.2
105.07037	14.8
107.04957	1.7
107.08586	3.5
109.06504	3.2
111.04443	5.7
111.88493	1.1
115.03838	0.9
115.05446	7.5
116.06200	2.1
117.06229	1.3
117.07030	20.8
117.57037	0.9
119.04929	1.6
119.08601	15.3
119.77920	1.0
121.06512	3.7
121.10146	3.5
125.02368	1.5
125.05991	2.0
128.06226	4.3
129.07034	6.3
130.07819	1.4
131.04939	100.0
131.08572	13.3
132.05199	1.6
133.06520	4.8
133.10130	11.6
134.07281	2.9
135.08061	3.6
137.05968	1.5
141.07030	3.4
142.07800	4.2
143.04941	1.4
143.08554	9.4
145.06517	8.9
145.10158	10.5
146.08182	1.3
147.08058	4.7
147.11691	1.3
149.06026	1.8
149.09668	6.4
153.06934	1.2
154.07748	1.4
155.08575	6.0
156.09386	7.4
157.06462	2.5
157.10146	16.6
159.08086	8.5
159.11703	9.2
160.05190	3.0
161.05968	6.5
161.09587	6.1
162.06767	5.9
163.07556	5.7
163.11176	2.6
165.07008	1.3
165.09131	1.8
167.08549	2.5
168.09343	1.6
169.10144	8.6
170.10918	4.5
171.08061	3.4
171.11700	22.7
172.08884	1.9
173.09634	5.9
173.13269	3.8
175.06068	1.3
175.07565	18.4
175.11200	2.8
176.08290	3.3
177.09120	46.2
178.06268	5.4
179.08586	1.2
179.10727	1.2
180.09373	1.6
181.10117	3.5
182.10962	1.4
183.08145	1.7
183.11705	24.3
185.09619	6.2
185.13280	15.3
187.07578	2.4
187.11209	4.5
188.08240	2.1
189.09143	7.6
191.10660	9.6
192.09392	2.0
193.08603	15.8
193.10143	2.7
195.11729	4.2
197.09650	4.2
197.13167	6.0
198.10371	1.6
199.11227	7.2
201.09117	2.9
201.12720	2.9
203.07043	2.2
203.10722	5.5
204.09277	1.2
205.08577	7.8
205.10278	1.4
205.12094	2.2
206.10971	1.7
207.11745	3.2
209.09747	1.3
209.13263	1.8
211.11220	6.2
211.14833	1.2
213.09132	2.9
213.12749	17.8
215.10680	2.5
217.08496	1.8
217.12204	2.4
219.11824	1.7
220.12537	2.3
221.13274	5.0
222.13968	1.5
223.11162	3.0
223.14851	1.3
225.12814	1.2
227.10738	1.9
229.12256	2.8
231.10197	3.5
231.13792	3.6
233.11565	2.0
233.13487	1.7
233.15381	2.2
235.14862	1.9
237.12799	1.3
239.10841	1.4
241.12262	5.0
243.13857	2.2
244.12439	1.7
245.11644	2.2
245.13370	1.1
245.15395	10.3
247.11177	1.8
247.15086	1.8
251.14282	2.1
253.15781	1.2
255.13805	2.8
257.13257	2.8
258.14014	2.4
259.15121	1.5
263.16504	1.7
263.37753	1.4
267.14017	1.3
268.12482	1.5
270.14038	1.5
271.10791	1.4
271.14938	1.7
273.12570	1.3
273.14841	10.2
285.16422	1.8
286.13675	1.6
287.14511	1.9
287.17798	2.7
289.14395	3.4
291.13171	1.2
293.15524	1.4
299.14105	2.0
299.17447	1.4
300.15042	1.6
301.15918	2.1
313.12289	1.4
313.15656	1.3
315.17471	2.4
317.15305	1.5
317.18863	1.7
319.17023	2.2
329.15372	2.0
329.18994	2.4
331.16919	6.5
333.18445	2.3
342.15659	1.2
343.16925	4.1
345.18436	4.0
347.20126	1.6
349.17926	2.5
355.16995	1.3
357.18506	5.0
361.17944	4.0
363.19736	1.3
373.18057	2.4
375.19614	7.5
385.18326	1.6
389.21075	3.0
391.19116	1.8
393.20486	2.0
399.19910	1.2
403.19107	4.8
407.22183	3.1
417.20572	5.4
419.22128	3.7
431.22177	4.1
435.21597	8.8
437.23282	2.4
449.23285	13.7
453.22522	1.5
467.24332	13.8
535.26923	1.8
549.28339	4.1
567.29456	7.3
591.21320	1.1
683.32306	7.1
697.33594	5.2
715.34961	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	715.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01857	1.5
55.05514	16.6
58.06589	1.2
59.06130	1.7
60.05654	1.9
67.05499	2.4
69.04547	1.3
69.07041	1.3
69.87932	5.8
77.03948	1.7
77.13215	1.1
79.05489	3.6
81.07059	2.8
83.04984	28.8
90.44945	1.3
91.05477	8.4
93.07049	4.1
95.04951	3.8
95.08590	3.0
103.05473	49.7
105.03410	7.1
105.04509	2.1
105.07035	10.5
107.04948	1.6
107.08578	5.4
109.06493	2.8
109.10139	1.3
111.04453	3.5
115.05466	5.6
117.07024	12.3
119.08585	14.1
121.06516	3.9
121.10136	2.0
121.69806	1.2
123.08143	1.4
125.05983	2.8
126.02506	1.3
128.06232	3.2
129.07019	5.4
130.07779	1.2
131.04935	100.0
131.08551	7.9
132.05290	3.7
132.57256	1.3
133.06500	4.5
133.10126	6.8
134.07306	1.6
135.08032	2.7
137.05959	1.6
141.07002	1.9
142.07753	3.9
143.08615	7.7
145.06479	7.4
145.10143	4.0
147.08020	5.2
147.11662	2.2
149.05975	1.5
149.09566	6.4
153.06880	1.9
155.08588	3.9
156.09363	6.0
157.06491	1.6
157.10110	12.3
159.08020	4.5
159.11719	7.4
160.05284	2.3
161.05998	4.6
161.09631	4.0
162.06699	4.7
163.07515	4.4
163.11227	2.0
165.06970	1.9
165.09126	1.2
167.08556	1.5
168.09352	1.5
169.10191	6.2
170.10916	2.7
171.08107	3.1
171.11705	17.0
173.09596	4.3
173.13280	2.6
175.07544	8.6
175.11232	2.6
176.08293	2.4
177.09122	28.8
178.06293	2.8
179.08556	2.2
180.09421	1.7
181.10101	2.8
183.08073	4.9
183.11693	17.6
185.09573	4.2
185.13263	9.9
187.07558	1.5
187.11182	3.0
189.09093	4.3
191.10658	3.9
193.08588	5.9
193.10141	2.5
194.10802	1.6
195.11703	4.5
197.09671	3.5
197.13252	2.7
199.11183	4.6
200.11850	1.3
201.12700	2.0
203.10724	3.6
203.14235	1.4
204.09306	1.3
205.08600	5.4
205.12186	1.9
206.10880	1.9
207.11719	3.7
209.09621	2.3
209.13264	3.1
211.11121	4.7
213.09233	1.8
213.12733	9.6
215.10725	2.6
217.10272	2.1
217.12219	2.3
219.11685	1.7
220.12402	1.5
221.13274	3.6
222.10271	1.4
223.11230	3.5
223.14780	1.8
229.12262	4.1
231.09956	1.7
231.13777	2.1
233.15475	1.6
235.11230	2.3
235.14885	2.8
237.12808	1.5
239.14581	1.2
241.12309	2.6
243.13824	3.4
245.11520	1.7
245.15439	7.0
246.14066	1.4
247.14880	3.6
249.12779	1.8
249.16339	2.1
258.13937	2.6
259.13062	1.7
260.15637	1.3
261.16553	2.4
262.13492	1.5
263.14236	1.6
263.16620	1.3
273.14890	3.9
275.14166	2.8
277.15945	2.2
284.15482	1.8
285.16394	1.8
287.14127	1.4
299.14252	1.6
301.12234	1.3
301.15637	1.7
315.17508	1.6
319.16962	3.5
329.15414	3.0
331.16846	4.2
343.16977	2.7
345.18546	2.3
347.16391	2.0
349.17926	1.8
351.19360	1.5
357.18448	3.0
359.16132	1.6
361.17795	3.3
373.18002	1.7
375.19675	3.6
379.19012	2.7
389.17297	2.7
393.20697	2.6
403.18839	2.5
405.20627	2.4
407.18274	2.5
417.20819	2.3
419.22467	2.2
421.20062	2.2
431.22693	1.6
435.22070	2.7
439.21103	3.0
449.23422	3.6
465.18161	2.0
467.25266	7.3
549.28186	2.2
683.31824	4.0
697.33508	2.9
715.35535	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	715.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34401	2.4
51.94938	2.3
52.90218	2.3
53.03944	5.5
55.01883	3.2
55.05271	3.5
55.05519	66.5
59.48182	2.2
67.05505	7.4
69.03424	7.0
69.26661	22.5
70.06598	2.6
71.01337	4.2
74.09705	2.6
79.05500	11.7
80.29999	2.3
81.07065	11.8
83.04988	100.0
85.02938	2.8
86.06049	2.9
91.05492	11.0
93.07076	13.3
95.04959	6.4
95.08608	8.0
97.06541	3.8
98.21463	3.9
102.10221	2.4
103.05468	10.1
103.92838	2.1
105.03412	6.3
105.07022	14.9
107.04957	4.1
107.08592	7.8
108.06246	2.4
109.06496	5.1
109.10159	3.4
115.05480	3.9
117.07018	9.5
119.04935	5.0
119.08595	21.3
121.06547	4.5
121.10151	3.7
123.08048	3.5
128.06186	2.4
129.07002	3.6
131.04915	24.0
131.08524	15.4
133.06496	6.8
133.10182	11.7
135.08099	5.2
142.07777	4.6
143.08565	8.7
145.06522	4.1
145.10075	11.3
147.08032	8.9
147.11681	4.8
149.06000	4.2
149.09665	6.8
151.07565	3.4
155.08546	8.1
156.09410	11.5
157.10118	17.0
158.10481	3.7
159.08043	10.8
159.11714	6.8
161.05949	6.7
161.09627	8.5
163.07507	4.8
163.11221	3.4
167.08531	3.6
169.10178	12.5
170.10881	7.8
171.08130	6.5
171.11685	31.1
172.12050	4.6
173.06044	3.8
173.09633	10.6
175.07593	3.5
177.09114	5.0
179.08615	4.2
181.10135	6.8
183.08076	4.0
183.11729	31.3
185.09587	8.0
185.13297	21.3
187.07474	3.0
187.11224	4.3
189.05495	4.1
193.10179	4.6
194.10809	3.0
195.11630	5.4
197.09627	4.9
197.13246	6.0
199.11166	13.5
200.82674	2.4
201.09163	3.8
201.12697	4.0
203.10756	4.4
205.10173	4.0
206.10840	4.3
207.11763	10.1
209.13258	6.9
211.11169	7.1
213.12759	13.2
214.13266	3.2
215.10570	4.6
217.10338	3.6
217.12215	4.8
219.11787	4.4
220.12395	5.0
221.09726	3.6
221.13239	9.4
223.11156	5.0
223.14777	4.3
225.09189	3.1
225.12738	3.2
229.12253	6.3
231.11731	7.4
231.13840	8.6
233.13220	10.4
234.13873	5.1
235.14807	3.7
241.12244	5.4
243.11871	2.9
243.13908	5.7
244.12541	3.6
245.13251	7.5
245.15451	7.2
246.13998	5.6
247.11223	5.4
247.14897	4.3
248.15407	4.7
249.12744	4.4
249.16399	4.0
251.10748	2.8
251.14369	3.9
251.17839	3.9
255.11618	3.2
258.14020	4.0
259.10992	3.1
259.13138	4.4
259.15302	3.8
260.11847	3.2
261.12860	3.1
261.16422	8.4
262.13461	2.9
262.16721	2.9
265.16028	2.7
269.13348	3.8
271.14825	4.8
273.12756	2.8
273.16528	4.3
275.14355	3.8
275.17850	5.0
277.15863	4.3
279.13913	3.4
279.17392	3.8
280.08063	2.3
283.34421	2.4
285.16379	3.5
287.14194	3.5
289.15866	5.6
290.16476	3.3
291.13947	3.2
291.17514	4.6
293.18985	3.9
297.12592	3.3
299.14163	3.9
301.15851	5.0
303.17352	7.3
313.15576	3.3
316.14285	3.4
317.15524	5.4
319.16534	3.1
321.18552	8.9
331.16922	6.2
337.18042	4.7
339.19571	6.5
341.15396	4.6
343.16983	2.9
345.18613	4.9
349.18103	5.9
359.16437	5.2
360.16901	5.0
361.17816	3.3
363.19617	3.8
373.18008	7.3
377.17520	8.3
391.18878	13.7
395.18686	4.9
401.17377	8.8
409.19852	7.0
419.18524	15.0
437.19727	25.7
446.96640	2.6
451.21164	7.4
455.20715	9.3
469.22223	3.5
479.20898	4.5
491.23953	3.0
497.21738	8.5
515.22797	4.1
519.24158	3.3
537.25574	4.0
555.27075	3.3
579.25677	3.5
597.26202	3.0
625.31799	4.5
715.34564	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	715.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76492	1.4
53.03946	3.8
55.01870	2.0
55.05516	67.8
57.13934	1.5
59.47511	1.6
65.03951	1.9
67.05493	4.5
67.96028	1.5
69.03434	1.9
69.07069	2.6
78.65227	1.5
79.05499	6.1
81.03403	2.0
81.07053	6.4
83.04990	100.0
83.60802	1.4
84.05307	2.4
90.98639	1.6
91.05491	12.8
93.07047	8.4
95.04954	5.0
95.08601	7.2
97.06541	2.7
100.11311	1.6
103.05491	6.5
105.03374	3.5
105.07019	20.2
107.04955	2.5
107.08620	10.5
109.06521	3.4
109.10175	3.3
115.05489	3.5
117.07041	6.4
119.04967	2.0
119.08604	17.3
121.06492	4.3
121.10142	3.8
123.08068	3.3
125.06072	1.7
128.06221	3.5
129.07025	4.3
131.04942	11.6
131.08578	10.2
133.06505	11.7
133.10164	15.1
135.08073	9.7
137.05988	2.6
139.07578	1.5
141.07018	4.2
141.99245	1.5
142.07779	4.9
143.08582	10.9
145.06544	7.2
145.10159	9.8
146.07135	1.5
147.08055	8.3
149.09656	5.6
151.07574	2.9
155.08574	5.5
156.09337	10.8
157.10139	18.8
158.10736	1.9
159.04428	3.9
159.08084	8.9
159.11705	4.6
161.06018	8.5
161.09666	9.6
163.07561	4.3
165.07019	3.1
167.08572	3.2
168.09319	1.6
169.05008	2.3
169.10144	9.0
170.10941	4.7
171.08099	7.1
171.11690	33.4
172.12172	1.9
173.05904	1.6
173.09677	11.0
173.13232	3.7
175.07594	3.6
175.11237	3.7
177.05482	5.5
177.09196	2.1
179.07043	4.2
179.08510	2.5
181.10080	3.5
183.08110	3.5
183.11687	21.0
185.09637	7.9
185.13254	21.9
187.07535	2.5
187.11221	6.3
189.09172	3.8
189.12790	1.9
193.10193	4.3
195.11781	10.1
197.09644	3.9
197.13226	6.2
198.10361	3.3
199.11198	15.4
200.11945	4.8
201.09149	4.0
201.12753	3.9
203.10532	2.5
203.79211	1.5
206.10858	3.2
207.11691	7.0
209.09563	3.8
209.13248	5.8
211.11229	4.6
213.09181	4.1
213.12711	18.7
215.10579	3.1
216.09358	2.0
217.08534	3.6
217.12207	3.6
218.10793	1.9
219.08167	1.9
219.11833	2.9
220.12488	2.0
221.13284	6.3
222.13777	2.2
223.11195	4.6
223.14885	1.8
225.12791	1.9
229.10231	3.2
229.12245	7.0
229.14247	2.3
231.11652	5.8
231.13811	15.5
232.12331	2.8
233.13295	5.6
234.13934	2.7
235.11211	3.9
235.14914	4.8
237.12674	2.9
239.14302	2.3
241.12347	9.4
243.11775	3.6
243.13948	2.9
244.12503	5.5
245.13292	6.1
246.14195	3.3
247.14871	5.4
248.11836	2.8
248.15710	2.3
249.12663	3.1
249.16348	4.0
251.10828	1.9
251.14413	2.4
253.12282	1.9
253.15771	1.9
255.11613	2.0
256.12469	1.9
257.13315	4.6
258.14166	3.5
259.13037	11.7
260.15604	3.0
261.12701	2.8
261.16479	3.2
262.13544	2.2
263.14337	2.7
265.12283	1.8
267.11575	1.7
270.14078	3.3
271.14874	4.0
272.15488	1.7
273.16321	5.8
275.14368	2.7
275.17871	3.4
277.16022	2.1
279.13791	1.8
282.13837	2.6
283.14624	2.3
285.12833	2.9
285.16382	3.3
286.13458	2.8
287.14246	4.6
287.17673	3.3
288.15048	2.0
289.15771	3.7
290.16232	2.4
291.13782	2.8
291.17361	2.7
293.15222	2.4
299.14450	3.1
299.17722	2.1
300.15314	2.1
301.15778	3.7
303.13892	3.5
303.17142	2.8
305.15323	2.0
305.18793	1.8
307.16791	2.0
313.15759	2.5
315.17374	3.7
317.15375	3.4
318.16034	2.4
319.16937	3.5
321.18439	2.6
331.16907	6.9
333.18405	2.9
337.18201	2.2
343.16794	3.8
345.18381	4.2
347.16422	2.7
349.18076	3.5
355.16782	1.9
357.18484	2.3
359.16495	6.1
360.17038	2.1
361.17984	4.7
363.19656	3.7
365.17160	3.5
373.17920	10.3
375.19577	4.0
377.17459	5.5
379.19049	5.6
381.20688	3.0
383.16333	2.7
389.17566	5.0
391.19131	14.8
392.18951	2.8
393.20636	4.3
395.18436	4.7
396.19589	2.0
397.20392	3.2
401.17422	8.2
407.18423	4.4
409.20096	12.3
410.20441	1.8
419.18533	25.5
420.18814	4.4
425.19531	2.0
427.21198	3.4
437.19656	35.2
438.20001	7.4
439.21075	2.3
455.20657	20.0
479.20551	4.5
493.22705	1.9
497.22018	10.7
498.22726	2.2
515.22766	10.4
519.23859	2.8
537.24646	5.6
579.26062	2.3
597.26764	4.8
598.26849	2.0
615.27722	2.9
625.31433	3.0
715.27838	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	715.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.1
55.01864	2.8
55.05513	62.0
56.05839	2.1
67.05490	4.6
69.03431	2.7
69.07039	1.9
71.55688	2.0
74.40894	1.7
78.09941	1.7
79.05474	6.9
80.75632	1.7
81.03416	2.8
81.07052	4.2
83.04984	100.0
84.05305	2.4
87.22339	1.8
91.05477	14.1
93.07034	12.3
95.04957	5.2
95.08580	6.4
97.06499	2.7
103.05473	8.1
105.03378	3.9
105.07030	19.0
107.04941	4.6
107.08605	9.4
109.06509	5.5
109.10129	2.0
115.05440	4.3
117.06997	7.8
117.66946	2.0
119.04937	3.2
119.08585	20.4
121.06487	5.1
121.10152	4.3
123.08036	3.7
128.06230	3.5
129.06978	6.4
130.07768	2.9
131.04921	16.2
131.08571	10.5
133.06502	12.2
133.10149	16.2
135.08037	6.7
141.06960	2.4
142.07793	3.7
143.08574	9.5
145.06462	6.0
145.10115	9.5
147.08058	11.9
149.05989	3.7
149.09599	6.5
155.08525	5.0
156.09357	9.2
157.06519	1.9
157.10146	17.0
159.08057	11.0
159.11700	7.3
161.05952	9.3
161.09624	10.2
163.07524	3.1
165.07056	2.1
165.09117	2.5
167.08539	3.6
168.09392	2.1
169.05016	2.3
169.06369	2.0
169.10133	11.5
170.10861	7.7
171.08026	4.6
171.11690	33.5
173.09726	8.3
175.07567	4.3
177.05441	2.9
177.09120	3.9
179.06987	5.5
179.08525	2.9
180.09209	1.7
181.10158	5.4
183.08047	2.6
183.11682	25.0
184.08870	2.2
185.09599	5.8
185.13281	18.7
187.11183	8.2
189.09068	3.1
191.10585	3.0
193.08571	2.7
193.10216	4.0
194.10828	2.8
195.11734	8.8
197.09610	5.5
197.13200	5.6
198.10342	2.0
199.07500	2.2
199.11214	12.0
200.11848	2.9
201.09077	3.5
201.12682	3.8
203.10683	2.4
205.10156	2.2
207.11667	7.0
208.12552	2.0
209.09619	3.1
209.13107	3.5
211.07600	2.3
211.11160	6.9
211.14871	1.9
213.09116	4.2
213.12726	20.6
215.10629	5.5
217.08501	2.9
217.12010	2.4
219.11732	2.8
220.12439	3.7
221.13251	5.6
223.11131	6.1
223.14764	2.3
227.10678	3.7
229.12193	7.7
230.10892	2.5
231.11694	5.1
231.13701	13.2
232.12436	2.6
233.13194	6.5
234.13995	2.0
235.11261	2.3
235.14841	4.4
237.12778	2.7
239.10524	2.3
241.12250	7.1
243.13821	3.7
244.12483	4.2
245.13199	5.8
246.13925	3.7
247.14873	4.6
249.12729	2.3
256.12436	1.8
257.13330	3.4
258.13953	5.5
259.10919	3.1
259.12976	11.6
261.12698	4.3
261.16476	4.2
262.16681	2.2
263.14426	3.7
263.17947	2.8
268.12408	2.3
269.13226	2.8
270.10104	1.7
270.13785	2.5
271.11429	1.7
271.14691	6.7
272.15720	2.2
273.16364	4.9
274.13605	2.2
274.17010	3.3
275.14249	5.1
275.17801	6.0
277.12088	2.5
279.13699	2.6
285.12866	3.6
285.16299	4.4
286.13483	2.7
287.14233	3.0
289.15894	4.6
291.13620	1.8
291.17230	3.4
298.13516	2.4
299.14206	2.2
301.12299	2.3
301.15817	4.2
303.13879	2.7
303.17453	4.8
313.15451	2.0
315.17545	2.5
317.15237	4.0
318.16031	3.2
319.16873	4.3
321.18610	3.9
327.17331	2.3
329.15146	3.0
331.16962	7.1
333.18594	3.7
337.18066	2.9
343.13232	2.0
343.16931	2.5
345.18445	5.3
347.16345	2.2
347.20081	3.4
349.17947	5.0
355.16766	4.6
359.16324	3.9
361.17789	2.8
363.19492	3.7
365.17282	3.0
365.21320	2.2
373.18118	10.1
375.19580	2.2
377.17401	9.6
379.14893	3.2
379.19202	4.3
389.17508	3.1
391.19095	14.4
392.19470	3.1
393.20630	3.8
395.18652	4.5
397.20276	2.5
401.17603	10.7
407.18405	6.7
409.20032	9.6
419.18579	29.0
420.18906	3.3
425.19412	3.6
427.21054	3.6
437.19632	36.6
438.19833	4.6
455.20731	16.8
479.20590	6.6
497.21661	11.6
498.22079	2.7
515.22662	13.6
519.24060	4.6
537.24585	3.7
579.25531	4.1
597.26489	5.6
715.28326	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56694	1.0
51.02377	1.2
53.03930	4.7
55.01874	1.7
55.05267	2.1
55.05511	24.9
55.71595	1.1
59.84104	1.1
68.15796	1.0
70.21883	1.2
71.78527	1.1
75.98360	1.1
79.05503	6.0
79.63676	1.3
81.07053	3.5
83.04986	36.2
91.05481	6.4
93.07030	3.8
95.04955	4.4
95.08603	3.1
101.06008	1.6
103.05471	50.7
105.07037	9.0
107.04958	3.1
107.08593	4.2
109.06501	2.1
111.04425	2.0
115.05424	2.9
117.06998	5.6
119.04986	1.4
119.08556	9.6
121.06501	1.4
121.10143	2.5
123.08036	2.0
125.05970	1.4
128.06158	1.7
129.06998	2.6
131.04933	100.0
131.08568	4.9
133.06482	4.8
133.10098	4.8
135.08046	3.7
141.07040	1.1
142.07793	3.4
143.08553	5.3
145.06491	4.9
145.10138	3.7
147.08075	5.5
149.05931	1.4
149.09608	7.8
151.07545	2.2
155.08537	4.3
156.09340	4.4
157.10129	18.6
159.08069	2.6
159.11700	8.1
161.05978	2.1
161.09569	2.7
163.07620	2.7
165.06976	1.2
166.07806	1.2
167.08578	1.6
169.04984	1.4
169.10152	8.8
170.10881	2.0
171.08025	1.9
171.11710	17.1
173.05962	1.9
173.09663	2.9
173.13246	3.3
175.07555	3.3
175.11093	1.6
176.08411	1.3
177.09119	11.9
178.06140	1.1
179.07103	1.7
179.08522	2.4
181.10101	4.0
182.10785	1.3
183.08002	2.4
183.11739	12.2
185.09605	2.7
185.13255	4.4
187.11198	3.7
189.05434	1.4
191.06995	1.3
191.10643	2.7
193.08578	2.4
193.10110	3.0
193.12209	1.5
194.10909	1.6
195.11597	5.2
197.09624	2.9
197.13208	3.8
199.11171	3.3
199.14804	1.1
201.12747	1.3
205.08549	1.9
205.12234	2.2
206.10886	1.7
207.06537	1.8
207.11678	5.2
208.12453	2.3
209.09607	2.4
209.13243	3.4
211.11192	2.5
213.12749	3.1
215.10640	2.1
217.10159	1.9
217.12152	1.8
219.11670	2.7
220.12460	2.2
221.13300	5.2
223.11163	3.8
223.14743	3.4
225.12671	1.4
229.10239	1.7
229.12239	4.5
230.10812	1.6
231.11705	4.2
231.13824	2.6
232.12425	4.3
233.13278	3.6
233.15453	1.7
235.11029	1.6
235.14799	3.1
237.12698	2.9
239.14334	1.2
241.12241	2.2
243.11723	2.6
243.13831	2.0
244.12462	2.2
245.13257	3.7
245.15430	1.9
246.14001	3.4
247.11285	1.5
247.14900	7.2
249.16382	1.6
253.12271	1.2
254.10707	1.2
257.13177	2.0
258.14160	1.7
259.15073	2.2
260.15256	1.1
261.12711	1.8
261.16586	2.4
262.13168	1.3
265.15839	1.2
270.14124	1.4
273.16522	2.4
275.14359	2.0
283.14639	2.1
285.12875	2.0
286.13593	1.5
287.14017	2.1
288.15033	1.4
289.15646	1.9
293.15158	1.6
299.14243	1.3
301.15829	4.1
303.17145	1.6
305.15396	1.8
305.18875	1.4
307.16760	2.2
315.17267	1.5
319.16879	4.0
321.18460	2.5
329.15387	3.0
331.16986	2.9
333.18445	2.4
337.18015	2.1
343.16882	2.7
345.18405	3.0
347.16345	7.5
349.18024	4.4
361.17877	7.4
365.17554	5.5
367.19214	1.6
371.16324	2.8
375.15509	1.3
375.19745	1.3
379.19046	4.6
389.17416	4.1
393.16449	1.5
407.18448	6.7
417.16641	1.9
421.20071	4.6
423.21768	1.9
439.21179	8.6
449.19318	3.1
467.20078	7.4
587.26196	1.5
683.31262	1.8
715.33868	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	715.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17606	1.3
53.03939	4.4
55.01864	3.0
55.05268	2.3
55.05514	25.3
65.03934	1.9
67.05497	2.6
69.03413	2.4
79.05488	5.3
81.07027	2.3
83.04980	43.4
84.05253	2.0
88.01043	1.7
91.05482	11.7
93.07035	6.3
95.04943	5.5
95.08604	2.6
100.07625	3.4
103.05471	53.6
105.03382	5.6
105.07039	20.2
106.14407	1.5
107.08616	3.7
109.06496	1.6
115.05463	6.1
117.07008	10.0
119.08595	19.3
121.10175	1.8
123.08078	1.4
125.02348	6.1
128.06238	1.8
128.36247	1.5
129.06985	5.0
131.04930	100.0
131.08553	10.5
133.06471	11.8
133.10123	6.0
135.08064	4.6
135.24382	1.6
137.06023	2.0
142.07785	5.5
143.08563	8.8
145.06517	8.3
145.10129	7.0
146.08150	7.3
147.08038	7.5
149.09624	13.6
151.07539	2.8
155.08549	6.3
156.09337	6.0
157.08952	2.5
157.10138	35.4
159.08037	7.3
159.11699	20.1
161.05972	13.7
161.09642	2.0
163.07536	5.8
167.08521	3.4
169.06528	1.7
169.10141	15.1
170.10873	3.0
171.08112	2.6
171.11688	31.8
173.05991	5.0
173.09593	3.5
173.13220	8.4
175.07565	5.6
177.09119	5.0
179.06987	5.0
179.08487	2.1
180.09337	2.6
181.10094	3.7
182.10844	1.8
183.08022	2.6
183.11708	30.5
185.09599	6.5
185.13249	6.7
187.11168	7.8
189.05496	4.2
189.09146	2.9
191.06998	5.2
191.08543	1.9
191.10612	1.8
192.09308	2.3
193.08583	3.4
193.10147	4.5
194.10860	2.0
195.07990	2.0
195.11728	5.5
197.09604	5.0
197.13261	11.6
199.07542	1.8
199.11185	5.3
201.12721	6.5
203.08786	1.5
205.10194	2.3
206.10899	4.1
207.06519	2.3
207.11697	6.2
209.09599	6.2
209.13191	2.6
211.07576	1.8
211.11179	4.8
211.14793	2.3
213.09129	3.1
213.12679	3.3
215.10519	2.2
216.09265	2.1
217.12169	3.4
219.11674	4.8
220.12405	2.8
221.13268	5.8
223.11165	3.4
225.12767	3.4
227.10619	3.0
229.12166	8.2
230.10916	3.3
231.11781	3.0
231.13785	3.5
232.12463	2.1
233.13408	2.9
233.15376	6.3
235.11150	2.8
237.12787	3.6
241.12326	2.6
243.11772	2.6
243.13832	7.5
244.12476	3.0
245.13229	5.6
245.15361	2.7
247.14812	4.7
248.11971	2.3
249.16397	2.2
251.14255	1.9
256.12564	2.6
257.13135	4.2
258.14011	5.1
259.14859	5.7
261.14828	4.8
263.14288	1.9
268.12378	2.7
269.13211	2.8
270.14029	3.5
271.11151	2.0
271.14691	2.5
273.12802	2.2
273.16333	3.9
275.14417	2.3
279.13919	1.8
282.13882	2.8
283.14767	5.9
284.15546	2.2
285.12744	2.4
285.16232	2.4
286.13403	2.3
287.14420	2.6
287.17670	3.0
289.12061	2.2
297.15979	2.2
299.14066	1.6
300.14978	2.6
301.15833	6.4
303.13739	4.7
305.15326	3.2
311.14206	2.9
313.15826	2.6
315.13821	2.7
315.17365	4.6
319.16995	8.7
327.13608	2.6
329.15378	16.5
331.16846	4.0
333.18518	3.1
343.17017	10.1
345.18469	3.7
347.16455	15.9
349.18161	2.5
353.15384	1.9
357.14893	4.3
361.13858	2.1
361.18005	12.3
365.17252	2.4
369.20587	13.1
371.16412	13.0
373.17746	2.9
375.15616	3.1
379.19058	5.9
389.17511	15.5
391.19156	1.7
393.20862	2.3
399.15787	2.3
403.18948	10.2
405.20871	3.3
407.18353	4.9
411.21777	2.2
417.16861	6.3
421.20081	21.2
423.21475	3.2
431.18475	6.8
435.18314	2.1
439.21201	10.9
449.19641	21.3
467.20471	10.6
469.22351	2.0
499.01797	1.6
655.22699	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	715.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.7
53.03946	1.9
53.30833	0.3
55.01878	2.1
55.05510	6.7
65.03936	0.6
67.05498	2.0
69.03434	6.0
70.07084	1.1
70.07480	0.8
70.64723	0.3
77.03950	1.1
79.05504	2.6
81.03395	1.8
81.07050	0.7
82.25932	0.4
82.92908	0.4
83.04482	0.7
83.04984	11.6
91.05485	5.4
93.07059	2.0
95.01336	0.6
95.04968	8.1
95.08601	0.6
97.02927	0.6
103.05470	50.4
104.05792	0.7
105.04528	0.9
105.06382	0.8
105.07037	8.3
107.04955	1.8
107.08600	1.2
109.06522	1.4
111.04459	0.6
115.05470	2.9
116.06266	0.6
117.07020	4.1
119.04966	0.9
119.08582	3.6
121.02840	0.4
121.06496	1.7
121.10155	0.6
123.04449	1.2
125.06013	1.4
128.06233	1.4
129.07002	2.7
131.04932	100.0
131.08575	4.4
132.05266	1.5
133.06490	6.5
133.10152	1.3
135.04453	0.8
135.08052	2.2
137.05989	0.7
139.03928	0.8
141.06999	1.7
142.07805	2.1
143.08556	3.3
144.08104	0.4
144.09326	0.6
145.06451	3.6
145.10114	1.6
147.04379	0.7
147.08049	1.6
149.05959	2.3
149.09627	2.9
151.03848	0.6
153.05486	1.1
153.07016	1.2
154.07773	1.2
155.08556	2.1
156.09348	2.0
157.06491	1.4
157.10124	6.2
159.04387	0.6
159.08058	4.8
159.11696	2.9
161.05988	12.5
161.09622	1.4
162.06734	0.7
163.07541	4.8
165.06993	1.5
166.07806	0.7
167.08531	1.2
169.06473	1.8
169.10117	3.6
170.07249	0.5
170.10938	1.5
171.08018	2.0
171.11699	3.5
172.08795	0.9
173.05974	2.2
173.09605	1.5
173.13231	0.5
175.07564	1.6
177.05467	0.6
177.09120	2.8
178.07761	0.6
179.07022	1.4
179.08575	1.5
180.09398	0.6
181.06506	0.5
181.10158	1.0
182.07297	1.0
183.07991	2.2
183.11684	3.3
184.08804	0.5
185.06013	1.1
185.09636	3.2
185.13261	1.2
187.07567	2.8
187.11174	1.5
189.05492	2.3
189.09108	1.4
191.06953	1.0
193.10130	1.0
195.08066	1.7
195.11694	1.1
197.05911	1.3
197.09625	5.0
197.13237	1.0
198.06796	0.7
198.10287	0.6
199.07579	1.7
199.11182	2.4
201.09131	1.3
201.12767	0.6
203.06961	1.0
203.08685	0.6
203.10661	0.7
205.08647	1.7
206.10957	0.5
207.06377	0.8
207.08055	1.3
207.09908	0.5
207.11769	1.4
209.09636	2.0
209.13406	0.7
211.07591	0.9
211.11168	1.3
213.05681	0.4
213.09163	4.1
213.12662	0.5
214.09962	0.4
215.07027	1.4
215.10704	1.4
217.08511	2.0
219.10109	1.1
221.09625	1.0
221.13266	1.1
222.10388	0.5
223.07550	1.1
223.11140	1.3
223.14893	0.5
224.08289	0.7
225.05560	0.6
225.09132	8.6
225.12697	1.0
227.06987	0.9
227.10713	0.9
229.08615	1.4
229.12228	1.4
230.10942	0.4
231.06512	0.5
231.10057	0.8
231.13773	1.1
232.12347	0.5
233.07841	0.6
233.09850	0.7
233.13297	0.7
233.15428	0.6
234.10324	0.4
235.07542	0.9
235.09560	1.3
235.11511	0.6
237.09079	1.3
237.12804	0.5
239.10590	1.0
241.08505	2.6
241.12263	0.5
243.06435	0.9
243.10135	1.4
243.13884	1.1
244.12460	0.5
245.08102	1.2
245.13412	1.0
247.09555	3.6
247.14900	0.6
249.09004	0.9
251.07054	0.9
251.10675	0.9
253.08308	0.7
255.10181	1.2
257.07968	3.1
257.11560	0.7
258.14066	0.7
259.09576	1.6
259.14810	0.6
260.15604	0.5
263.10693	0.9
263.14276	0.6
265.08481	0.8
267.10193	1.1
269.08020	0.5
269.13226	0.6
270.13950	0.5
271.14981	0.5
272.11841	0.7
273.11234	0.9
273.16263	0.7
279.10168	1.1
281.11807	0.7
283.09579	0.6
283.14755	0.7
284.15366	0.5
285.11011	3.7
285.16077	0.5
286.13480	0.7
287.13480	0.5
287.17966	0.5
289.12259	0.5
291.10358	0.5
291.13968	0.5
296.11890	0.7
297.12769	0.4
300.14871	0.5
301.10794	1.8
301.15753	1.5
303.12866	0.8
303.17151	0.7
305.31174	0.4
307.09689	0.7
309.11255	0.4
311.14188	0.5
313.12241	0.5
314.13052	0.5
315.13773	0.7
315.17365	0.6
319.16934	1.2
329.15454	2.6
331.13263	0.5
331.16891	1.0
333.18524	0.8
339.13608	0.9
341.14993	0.5
343.13229	0.8
343.16736	2.0
345.18481	0.4
347.12610	0.5
347.16379	3.2
350.74179	0.4
357.14468	1.3
361.14081	0.6
361.18048	2.0
367.13361	0.5
371.16315	0.9
373.14127	0.6
375.15881	1.5
377.17435	0.5
379.19278	0.8
384.01810	0.5
385.14291	2.4
387.14395	1.3
389.17432	1.7
391.15195	0.6
393.16644	0.5
395.13046	0.5
399.16165	0.4
403.15109	1.5
403.19125	1.4
405.21024	0.6
413.13519	1.0
417.16882	1.2
419.14545	0.6
421.20624	4.0
423.21924	0.7
431.14285	0.7
433.16147	0.8
435.17993	1.1
437.15695	0.7
439.21112	1.0
445.16296	1.3
449.19571	1.4
451.17368	1.4
453.19315	0.6
463.17474	5.4
467.20538	1.1
481.18723	3.3
489.19089	1.2
531.19934	0.5
535.19415	0.6
537.21191	1.1
549.20990	2.9
553.27252	0.8
567.22174	6.4
568.21985	0.5
569.21741	0.5
629.23529	1.0
655.25360	2.0
697.26990	0.6
715.26837	1.2
717.14459	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79438	1.7
55.01836	2.0
55.05513	8.9
59.04990	1.6
67.05502	5.4
69.03425	4.4
69.07039	1.9
71.55871	2.6
77.03944	1.9
79.05512	4.4
81.03418	3.1
81.07059	3.0
83.04979	16.7
91.05500	6.3
93.07032	6.1
95.04961	6.6
97.02934	1.8
103.05461	29.6
105.03402	7.3
105.07033	11.3
107.04922	1.8
107.08578	2.8
109.06546	2.1
115.05446	5.3
117.07000	5.7
119.07800	1.8
119.08592	8.1
121.06491	3.2
121.10132	2.2
123.04427	2.9
123.08118	1.9
125.05954	1.8
128.06212	3.1
129.06956	3.7
131.04927	62.5
131.08574	7.3
133.06488	6.1
133.10123	6.2
141.06935	2.1
141.72598	1.9
142.07715	4.1
143.08536	5.8
145.06451	3.4
145.10141	4.3
147.08047	4.0
149.09608	3.0
155.08565	3.0
156.09291	1.9
157.10130	7.3
159.08049	6.7
159.11807	3.1
161.05998	6.6
161.09586	2.5
163.07562	3.7
163.36674	1.9
169.10139	4.4
170.10890	3.4
171.08044	3.4
171.11678	6.7
173.09654	4.1
179.08617	2.1
181.10081	2.1
183.08025	3.2
183.11685	7.1
185.09663	2.9
185.13272	6.7
187.11218	3.6
189.09102	2.4
195.11603	4.0
197.09630	3.6
197.13275	3.7
198.10405	2.1
199.11148	6.2
201.12643	2.6
207.11781	2.0
213.12762	5.7
215.10654	2.8
225.08989	2.5
231.13933	2.0
241.08669	3.3
241.12244	2.0
245.13266	3.1
245.15509	2.4
245.92255	2.1
247.14824	3.1
261.16522	2.3
297.11084	2.9
331.17010	1.8
335.16269	3.1
345.14749	2.6
345.18506	2.5
359.16235	2.9
375.19684	2.0
391.19479	3.7
395.41336	2.0
401.17581	2.6
419.18396	4.6
437.19525	3.3
449.19171	2.7
451.21255	2.5
469.21954	2.5
497.21329	1.8
509.21350	7.8
518.66846	1.8
567.21979	8.5
580.31384	1.9
625.31891	3.7
627.48053	2.2
655.21552	100.0
656.22308	3.4
657.26727	19.1
705.47742	2.3
715.26196	67.2
716.25067	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	714.5512
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03938	1.2
55.05274	0.4
55.05515	5.5
56.05048	4.5
57.07077	2.4
58.06586	0.7
60.04528	2.2
62.82032	0.4
65.03935	0.5
67.05508	11.5
68.05019	1.0
69.03428	1.0
69.07072	7.4
69.78777	2.4
70.06596	2.0
71.08623	1.7
76.90704	0.4
79.05062	0.7
79.05496	9.8
80.05038	2.7
81.03407	0.5
81.05798	1.7
81.07056	10.5
82.06583	8.1
83.08619	4.4
84.08169	0.5
85.02927	2.2
85.10172	0.7
91.05482	7.7
93.07047	9.4
94.06570	16.5
95.04972	1.1
95.07352	8.1
95.08611	7.7
96.08138	4.9
97.02952	0.8
97.10181	3.1
105.07041	5.6
107.08601	5.7
108.08104	2.6
109.10144	4.3
110.06017	0.4
110.09706	0.6
111.11732	0.6
119.08581	5.2
120.08128	0.5
121.08882	0.5
121.09266	0.4
121.10152	5.3
122.09675	2.4
123.11694	1.2
127.03876	0.7
133.10141	3.6
135.10733	0.6
135.11688	3.3
136.11220	0.8
137.13274	0.5
147.11671	1.4
149.13261	0.8
152.82979	0.4
161.13246	0.9
219.21059	0.9
222.80200	0.4
233.22672	3.8
234.22195	0.7
237.22095	0.6
245.22646	4.7
250.25316	7.7
254.24814	0.8
262.25302	100.0
263.25616	1.5
272.25851	4.9
280.26373	7.3
310.27448	0.7
312.25394	0.7
314.26648	0.6
348.28815	0.5
446.82193	0.4
450.29678	0.5
504.47827	6.1
516.47778	33.9
517.47650	0.9
518.49341	6.2
534.48816	22.3
582.39117	0.5
640.65662	0.5
661.65021	0.5
696.54059	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.6
54.32579	4.3
55.05510	13.9
57.03432	16.2
57.07072	6.8
67.05505	72.8
69.03407	4.8
69.07075	24.3
69.61878	23.2
71.04990	4.9
71.44966	3.9
78.06001	4.4
79.05500	37.5
81.07066	82.3
83.08607	16.0
85.06558	4.8
91.05479	35.1
93.07050	46.5
95.04938	4.9
95.08601	54.6
97.06490	7.9
97.10151	4.4
99.08152	5.3
105.07024	35.4
107.08582	29.2
109.10161	26.1
117.07030	10.6
119.08582	31.9
121.10126	29.3
123.11710	4.5
123.36490	4.0
131.08572	18.6
133.10129	22.7
135.11690	14.1
143.08559	10.0
145.10138	17.6
147.11650	23.1
149.13275	9.0
159.11708	9.2
161.13275	10.3
165.12746	11.4
171.11668	7.5
173.13245	15.3
184.07306	11.3
187.14880	8.6
214.68283	4.4
229.14337	7.1
239.16406	25.7
259.20392	10.1
261.22095	7.9
335.25806	48.8
425.34088	14.1
443.35239	7.5
499.37772	27.3
517.31683	7.6
517.38934	100.0
622.82410	6.0
651.25159	23.7
683.25946	5.2
714.46564	8.2
715.29230	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	714.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.7
55.01869	8.3
55.05516	24.7
55.40285	3.3
57.03441	6.1
57.07072	7.5
57.12757	3.1
58.06587	3.9
67.05506	24.3
69.03437	50.3
69.07068	20.6
70.06595	17.4
71.04991	11.9
72.04513	11.1
79.05492	23.8
81.03434	17.1
81.07069	39.7
83.04997	23.7
83.08633	8.4
85.02908	27.7
85.06569	7.8
87.00826	4.6
87.04496	16.7
91.05495	27.8
93.07063	40.7
95.04961	10.6
95.08624	38.1
96.04479	6.9
97.02915	17.8
97.06541	28.9
97.10170	5.7
98.20715	8.3
99.04451	24.4
100.07649	3.5
103.05540	4.7
105.07039	49.4
107.04984	6.9
107.08593	41.7
109.02890	14.2
109.06512	16.8
109.10149	26.2
111.07311	3.4
111.08110	9.6
113.06021	4.9
114.05533	66.0
115.03944	8.5
116.07108	17.0
117.07070	18.5
119.08588	61.7
121.06503	11.8
121.10168	33.2
123.08070	8.2
123.11711	7.1
124.03976	3.7
126.05523	4.6
127.03905	27.9
128.06198	8.3
129.05571	3.5
129.07031	15.0
131.08585	43.9
133.06512	6.9
133.10130	54.5
135.08038	9.8
135.11702	15.7
136.06178	3.3
137.06030	7.2
137.09688	5.6
139.07579	15.1
141.06926	7.7
142.04993	49.3
142.07803	13.9
143.08559	38.2
145.04955	5.7
145.06586	4.9
145.10126	48.5
147.08047	10.4
147.11700	29.1
149.09616	11.8
149.13286	4.7
151.07585	7.9
151.11249	4.1
155.07431	3.0
155.08546	25.3
156.09375	14.6
157.10146	54.2
158.10869	6.4
159.08057	11.4
159.11708	31.2
161.09631	17.4
161.13254	13.8
163.11243	5.3
165.06973	5.0
165.09155	11.6
167.07133	4.1
167.08580	11.8
167.10776	4.2
168.09335	4.5
169.10123	34.7
170.10942	8.7
171.08009	9.4
171.11700	51.6
173.09644	15.5
173.13268	24.6
175.11150	7.8
175.14728	4.8
177.09094	7.8
179.08653	9.1
179.10686	7.3
180.09300	8.7
181.10144	23.3
182.10968	6.9
183.11684	46.2
183.13220	4.6
184.12221	3.7
185.08105	7.7
185.09679	15.2
185.13254	35.2
187.11220	7.9
187.14856	9.5
189.09163	9.3
189.12720	6.7
191.10730	5.4
192.09312	9.8
193.10193	17.7
194.10887	9.5
195.10149	5.0
195.11761	38.6
196.12476	8.0
197.09583	8.0
197.13252	34.0
198.14041	5.1
199.11230	13.7
199.14836	18.9
201.12743	7.2
203.10646	5.3
205.10217	6.8
205.19496	9.6
206.10936	12.0
207.08386	4.3
207.10106	10.6
207.11766	26.1
208.12436	12.0
209.11665	4.8
209.13307	36.3
210.14091	5.3
211.11166	6.1
211.14821	23.1
213.12714	24.0
215.10721	6.5
215.14360	4.6
216.09509	3.3
217.10249	5.6
217.12306	6.6
217.15718	4.1
218.10779	4.6
219.11748	9.8
219.13803	10.5
220.12534	9.9
221.13373	36.0
222.14018	7.6
223.11334	6.0
223.14857	40.5
223.20576	11.6
224.15520	4.2
225.12860	5.9
225.16377	9.9
229.12251	7.5
231.11772	4.6
231.13855	10.9
232.12460	6.1
233.13379	18.3
233.15350	4.1
235.14922	22.6
236.15488	5.5
237.12746	7.0
237.16383	15.8
239.14326	4.5
239.17914	7.3
241.12244	5.2
241.15852	4.2
243.11664	5.2
243.13843	8.4
245.15486	6.9
246.14145	4.7
247.14944	18.3
248.15652	6.1
249.16393	12.8
251.14459	5.2
251.17807	5.2
251.20184	4.5
253.19536	3.8
255.13750	7.4
257.15430	5.1
258.13898	4.2
259.14929	6.5
261.16537	17.3
263.14487	7.7
263.17923	12.5
265.15912	10.4
265.19556	18.9
269.15405	9.2
269.21182	11.4
273.16412	6.9
273.55298	3.6
277.19531	4.7
279.17377	4.7
279.20993	4.7
281.15436	6.2
283.16949	7.4
285.18460	4.2
289.19522	5.9
291.17532	8.5
305.19067	12.7
307.17429	4.6
307.20358	17.8
311.16498	5.2
311.22232	7.2
323.16498	4.2
323.20081	9.7
325.17947	9.6
325.21536	50.5
331.20361	4.0
337.17978	7.9
339.19455	6.0
343.22729	22.6
349.21591	4.3
351.19537	6.4
353.21182	6.0
357.21161	4.4
371.22250	5.6
375.23312	13.4
379.22772	21.3
393.24197	18.7
397.24088	29.8
403.25040	31.1
411.25397	14.8
415.24890	7.3
421.23904	44.5
427.25027	18.6
431.30112	15.6
433.25787	5.8
439.24844	97.9
439.31012	4.6
445.26035	5.5
457.25891	100.0
469.25845	7.4
475.26962	16.3
487.26794	11.1
490.22760	4.8
493.27835	7.8
499.26535	6.5
517.27997	76.6
534.30090	4.4
571.29059	7.1
583.29077	17.7
601.30182	49.0
619.31085	26.8
661.32013	11.9
696.30432	6.5
714.34735	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	714.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01892	1.4
55.05517	58.8
67.05488	3.4
69.03423	1.5
69.22543	5.7
69.22972	4.1
72.53732	1.1
79.05485	3.2
81.07060	3.2
83.04989	100.0
90.09191	3.3
91.05489	6.9
93.07043	5.1
95.04966	3.7
95.08610	3.6
103.05460	8.1
105.03388	5.1
105.07022	9.2
107.04971	1.3
107.08605	3.2
109.06510	2.2
109.10172	1.3
115.05429	1.7
115.87514	1.0
117.07030	4.7
119.04967	2.1
119.08613	6.9
121.06512	3.1
121.10168	2.5
128.06171	2.0
129.07002	3.2
131.04926	13.1
131.08574	5.6
133.06471	4.2
133.10132	9.0
135.08070	3.3
142.07814	2.0
143.08577	5.9
145.06479	1.9
145.10091	2.7
147.08058	4.1
149.09651	2.7
155.08597	2.3
156.09341	3.5
157.10133	8.3
159.08087	3.0
159.11749	2.2
161.05981	4.1
161.09624	4.0
163.07619	1.4
165.07014	1.5
167.08569	1.6
169.10172	5.4
170.10919	3.9
171.08008	2.4
171.11717	10.1
172.12064	1.3
173.09625	4.0
173.13126	1.7
175.07565	2.4
177.09180	1.4
181.10155	2.4
183.08081	2.8
183.11684	12.1
185.09650	3.8
185.13261	4.7
187.07466	1.5
187.11205	2.2
189.05414	1.2
189.09113	2.0
193.10216	2.0
195.11732	3.9
196.12263	1.2
197.09669	2.8
197.13242	3.1
199.07492	1.7
199.11256	2.5
201.09061	1.2
205.10252	1.4
207.11659	3.3
208.12343	1.6
209.09576	1.5
211.11253	2.9
213.09189	2.7
213.12740	4.8
214.13104	1.5
215.10635	1.5
219.11804	2.2
220.12601	1.2
221.13297	2.7
223.11189	3.1
223.14610	1.6
225.09077	2.3
229.10181	1.7
229.12267	2.7
231.11830	1.7
231.13884	3.1
232.12505	1.7
233.13107	2.3
234.14026	1.8
235.14859	1.6
241.12251	2.5
243.13797	2.3
244.12384	1.7
245.13205	3.2
245.15453	1.4
246.13916	2.2
247.14841	2.0
249.16360	1.6
255.11662	1.3
257.13254	2.5
258.14127	2.3
259.13351	4.9
260.15552	2.4
261.12711	2.0
261.16388	3.3
263.14313	2.2
265.12494	1.2
270.13907	2.8
271.14713	2.3
272.15460	1.2
273.16473	1.5
273.60693	1.1
275.14310	2.0
277.15656	1.5
283.14987	1.6
284.15668	2.1
285.16324	2.9
286.13199	1.2
287.14163	2.1
287.17630	1.4
288.15164	1.5
289.15646	1.4
291.17557	2.6
299.14227	2.0
301.15906	2.8
303.14029	1.7
303.17487	3.0
313.15900	2.5
314.16357	1.4
315.17392	1.5
317.14703	1.2
319.16721	1.4
321.18488	2.5
329.15112	1.4
331.16827	3.7
332.17624	1.8
333.18503	1.2
345.18408	3.0
346.18933	1.7
347.16180	2.1
349.17844	2.0
359.16373	4.4
373.18027	5.3
374.18579	1.3
375.19345	2.1
377.17661	6.4
378.17749	1.2
389.17633	1.8
391.19055	10.6
393.20663	1.7
395.18573	1.6
401.17450	4.4
402.17731	1.5
407.18555	1.5
409.20047	3.7
419.18536	15.0
420.19070	1.7
433.20502	1.3
434.20181	2.7
437.19540	13.4
451.21136	3.4
452.21609	1.8
455.20471	5.8
479.20532	2.5
497.21579	4.1
515.22742	2.3
579.25720	2.3
584.90833	1.7
597.27087	2.2
714.29480	3.9
715.28107	1.3
738.21417	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01870	3.5
55.05512	26.7
60.92625	1.9
67.05491	5.8
68.05017	1.8
69.03421	9.8
70.06601	20.0
70.62639	5.5
71.04990	2.0
79.05498	10.6
81.07059	9.4
82.02937	3.5
83.04989	33.3
84.04493	2.0
86.06075	26.1
87.04481	5.9
91.05470	14.8
93.07046	9.8
93.63741	1.7
95.04964	10.7
95.08594	7.9
96.04474	6.7
96.08118	2.3
97.06519	2.9
98.06062	68.7
103.05462	3.2
105.07035	18.2
107.04958	5.0
107.08583	8.6
109.06506	4.8
115.05455	7.0
117.07021	17.2
119.08589	37.2
121.06495	7.3
121.10135	3.7
122.06041	5.4
123.04384	2.3
123.08069	4.8
124.07592	16.3
124.86206	1.6
125.09647	1.8
128.06229	3.2
129.06992	8.6
130.07832	2.6
131.04950	6.8
131.08556	17.1
132.08028	1.9
133.06483	5.2
133.10149	13.2
135.08041	9.8
140.07094	4.4
141.07004	3.0
142.07776	8.7
143.08537	11.8
144.09283	3.0
145.06494	22.4
145.10112	20.7
146.07256	2.0
147.08051	14.7
148.07475	2.1
149.09627	6.1
150.05479	2.1
150.09183	2.8
152.07126	9.3
152.08136	1.6
153.06976	4.3
155.08571	10.7
156.09319	5.9
157.06506	3.3
157.10129	26.5
159.08069	15.9
159.11697	16.5
161.05995	4.5
161.09625	6.6
162.09148	10.7
163.07591	3.5
164.07043	2.1
164.10664	2.1
165.06996	3.8
167.08600	3.0
168.06590	12.0
168.09348	5.6
169.10149	22.0
170.08148	3.0
170.10886	9.0
171.08044	8.5
171.11703	24.1
172.08783	2.8
173.05971	5.1
173.09624	18.7
173.13304	3.9
175.07567	2.1
175.11172	4.1
175.35910	1.6
176.10713	2.4
179.08592	4.3
181.10088	7.3
182.10876	2.6
183.08156	5.1
183.11697	100.0
184.12393	4.9
185.09636	12.9
185.13263	12.6
186.08974	2.3
187.07530	3.4
187.11179	10.4
188.10646	3.6
189.09045	5.3
190.08684	3.2
191.10698	2.6
192.09308	2.2
193.10175	7.0
194.10870	3.3
195.08012	2.2
195.11716	7.7
196.08913	2.0
197.09599	11.3
197.13206	4.6
199.07594	3.2
199.11224	8.6
200.10651	2.5
201.09079	3.9
201.12817	16.5
202.12254	18.2
203.10606	3.3
205.10080	2.7
205.12187	2.5
206.10950	4.4
207.11755	10.3
208.12196	2.3
209.09653	6.5
209.13243	6.6
211.11189	15.8
213.09117	7.4
213.12807	4.5
214.12444	4.1
215.10814	2.1
217.10199	5.2
217.12198	2.9
218.11440	3.1
219.11765	4.4
220.12428	2.9
221.13228	10.0
222.14075	4.3
223.11194	6.2
223.14868	4.1
225.09059	2.8
225.12740	7.1
227.10669	4.1
228.10358	4.2
229.12321	9.9
230.11774	16.6
231.11723	7.0
231.13815	2.7
232.12427	6.0
233.13275	6.6
233.15317	3.3
235.11281	3.4
235.14807	6.7
237.08871	2.2
237.12724	7.5
237.16368	15.2
239.10611	2.3
239.14366	4.1
241.12273	2.3
242.11568	2.2
243.11670	3.4
243.13828	7.1
244.12833	2.4
245.13460	3.3
245.15414	2.6
246.11482	3.6
246.14075	6.1
247.11118	4.2
247.14912	13.6
248.12929	20.0
249.12727	3.9
249.16412	4.1
251.14610	3.3
251.18002	3.2
253.12312	4.1
256.12631	3.1
257.13269	3.0
259.11108	2.3
259.14981	2.8
260.12729	3.2
261.12598	3.1
261.16794	9.6
262.14221	4.1
263.14294	6.0
264.14865	2.3
265.15903	12.0
267.13879	4.9
269.13132	3.7
270.14120	5.8
271.14828	2.6
272.12479	1.9
273.12726	4.4
273.16293	2.6
274.13620	2.2
275.14417	2.6
277.12338	2.6
279.14496	1.8
279.17548	10.9
281.15622	2.4
285.12723	4.3
285.16315	7.6
286.14392	11.9
287.14389	3.6
287.17715	2.3
289.15933	6.1
291.13782	2.4
291.17313	2.1
297.12686	3.6
298.13831	7.7
299.14368	5.3
299.17719	2.8
301.16064	3.5
301.19232	2.3
303.17502	4.3
307.16891	11.4
312.15274	5.6
313.15823	8.4
315.13742	2.1
316.15244	2.6
317.15338	3.6
317.18839	3.0
319.16919	2.5
321.18484	6.2
325.18091	3.0
327.17435	17.2
329.15176	2.6
329.18915	4.0
331.16971	6.4
337.15771	2.2
339.19604	5.5
345.18265	4.8
347.20081	1.8
355.16949	7.8
361.17319	1.9
363.19238	2.1
367.18930	3.7
373.18054	5.9
383.16388	1.9
385.20285	2.5
387.19455	5.0
398.21289	3.8
412.22513	4.9
414.24939	3.0
415.19199	2.3
416.22092	8.2
430.23843	4.5
433.20135	2.6
440.22198	9.4
451.21045	3.3
458.23077	9.9
460.25140	3.1
463.23453	10.2
468.21634	2.9
472.24692	6.0
476.24326	11.4
486.22812	8.7
490.25781	15.7
500.24396	4.9
501.24304	2.1
504.23837	13.5
508.26953	24.3
510.28287	5.4
518.25610	11.5
522.24695	11.0
526.27985	12.6
536.26385	36.0
545.94214	2.0
547.78503	2.0
554.27496	46.0
564.26086	2.7
572.28223	5.1
582.26849	6.2
586.30188	9.3
596.28467	16.3
614.01080	2.0
614.29639	70.6
615.29926	3.1
632.30768	10.3
636.31213	3.6
654.32648	8.0
696.33514	4.4
714.34601	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	714.348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49609	1.6
50.94797	1.7
50.95213	1.8
53.09487	1.6
55.01874	6.3
55.05513	18.8
64.29392	1.9
67.05520	2.9
68.05019	3.5
69.03436	6.2
69.20628	7.5
69.21054	11.8
70.06597	20.8
71.04987	3.8
79.05498	4.3
81.07055	5.3
82.02940	12.3
83.04987	21.8
84.04486	2.3
85.56389	2.2
86.06082	22.1
87.04477	9.1
91.05488	9.8
93.07035	5.2
94.06598	4.5
95.04967	7.3
95.08635	2.0
98.05423	3.8
98.06061	70.8
105.07037	8.3
107.08609	4.5
109.06522	3.4
112.07633	2.9
115.05478	5.8
117.07027	39.1
119.08585	16.0
122.06033	25.0
124.07600	12.4
128.06236	3.1
129.07004	10.7
131.08577	18.6
132.99033	1.9
133.06468	4.7
133.10129	7.8
135.08018	2.9
140.07080	42.9
141.06944	2.6
142.07768	3.2
143.04900	2.3
143.08546	12.1
145.06479	16.7
145.10146	7.7
147.08066	2.6
149.09645	5.4
150.05522	19.9
153.07056	3.2
154.07874	2.3
155.08556	7.7
156.09346	6.8
157.06494	1.8
157.10155	19.0
159.08092	8.7
159.11688	19.9
161.09599	5.6
165.06947	2.7
167.08611	9.4
168.06578	100.0
168.09351	3.4
169.10123	14.7
170.10887	3.3
171.08057	3.2
171.11720	18.2
173.09671	5.8
173.13283	6.1
179.08577	4.6
181.10168	5.9
183.11705	36.0
185.09683	5.1
185.13284	5.5
187.11180	7.6
193.10135	5.3
194.10918	2.7
195.08128	2.6
195.11717	4.6
197.09666	5.9
197.13275	2.4
199.11246	5.5
200.10744	5.5
201.09087	2.0
201.12752	8.8
202.12277	15.3
205.10188	2.3
206.10934	3.9
207.11729	3.3
209.09634	2.8
211.11226	7.9
213.12764	2.4
214.12337	7.0
217.10199	4.6
217.12238	2.5
218.11389	2.0
219.11737	4.0
220.12523	2.7
221.13271	5.8
223.11241	3.1
224.11905	2.0
227.10698	2.8
228.10150	7.2
229.10237	2.9
229.12285	9.0
230.11790	22.9
231.11790	6.1
231.13901	2.5
232.12442	5.8
233.09573	3.0
233.13263	6.4
233.15390	3.5
235.11131	2.5
242.11702	4.3
243.11632	4.7
243.13829	3.5
244.12813	2.4
245.13496	4.1
246.11154	6.4
246.13904	3.5
247.11246	2.5
247.14929	15.3
248.12863	37.4
249.12727	5.0
249.16504	4.5
252.13739	2.7
255.11595	2.2
256.09680	2.8
256.12622	2.3
257.13391	4.9
258.14084	2.1
259.10999	2.7
259.14896	3.9
260.12756	7.0
261.12622	2.4
261.16397	7.7
262.14066	2.1
263.14374	2.6
263.18051	2.5
269.13263	5.9
270.14044	5.3
271.14883	5.4
274.10730	5.1
274.13669	4.6
275.14294	6.1
276.12360	4.4
277.12326	2.5
280.13263	3.3
283.14944	2.5
284.15662	2.5
285.16406	7.7
286.13641	2.5
287.14224	3.2
289.15964	6.3
298.14127	3.9
299.14380	2.5
299.17816	7.6
301.15924	4.5
309.16284	3.7
312.15115	3.3
313.15790	4.2
327.17578	9.4
329.19217	2.5
355.16931	4.3
359.20120	3.4
373.17776	3.8
387.19339	3.2
412.22784	3.2
416.22342	5.4
426.20291	3.0
430.23959	5.7
432.21301	2.8
440.22314	11.2
442.23926	2.7
444.21616	3.0
458.23373	26.0
459.23575	2.2
460.25027	5.3
468.21515	6.8
472.24567	6.2
476.24203	10.8
486.22733	16.6
490.25800	16.3
494.24966	2.7
500.24155	7.0
504.23743	27.7
505.23660	2.3
506.25415	2.6
508.26978	9.5
518.25299	22.3
522.24701	10.0
536.26605	26.2
554.27588	17.2
564.25952	5.1
582.26978	10.6
596.28424	3.1
604.29004	5.4
614.29590	3.0
618.30347	2.8
622.30463	3.0
636.31250	6.0
654.32379	8.4
663.90033	2.0
664.30853	3.9
682.32635	12.3
696.33740	7.8
714.34686	13.4
715.33844	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	714.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.3
54.48826	6.8
55.05521	35.0
66.89346	6.3
67.05516	9.3
69.03411	9.6
69.18339	31.8
69.18755	39.6
70.06583	33.8
74.46798	5.8
79.05481	14.6
79.54745	7.3
81.07035	18.7
82.02927	14.8
83.04990	79.5
86.06050	27.0
87.04467	7.9
91.05470	29.3
93.07051	16.8
94.06616	8.1
95.04981	17.5
95.08624	10.1
96.04494	20.7
98.06061	100.0
103.05457	26.5
105.03384	16.0
105.07025	35.4
107.08537	7.8
115.05446	14.3
117.07039	49.0
119.08604	42.8
121.10126	13.3
122.06020	14.2
124.07563	13.0
127.31753	6.6
129.06999	25.0
131.04932	29.9
131.08597	18.0
132.05269	7.3
133.10089	15.6
135.08052	11.9
140.07088	13.5
141.06949	8.8
142.05014	15.5
142.07741	12.6
143.08511	21.9
145.06451	20.9
145.10129	27.2
147.08069	6.4
149.09628	10.7
150.05482	18.1
155.08545	17.6
156.09399	8.2
157.10112	41.2
158.10780	8.2
159.08069	10.1
159.11665	34.2
161.09676	7.6
167.08641	16.2
168.06598	35.5
169.10118	24.9
171.08015	10.8
171.11697	36.2
173.09618	18.5
173.13173	9.0
179.08546	10.1
181.10124	10.5
183.11702	69.5
185.09703	10.3
185.13258	23.4
186.09169	6.9
187.11171	13.5
193.10066	7.9
195.11693	12.6
197.09572	10.0
199.11186	20.1
201.12744	13.3
202.12306	17.6
203.10667	7.1
207.11667	13.2
211.11188	15.3
213.09184	7.8
213.12694	21.4
214.12363	11.6
219.11693	10.3
221.13310	14.8
222.14175	8.4
223.11159	7.1
228.10310	9.4
229.10146	7.7
229.12244	13.9
230.11687	29.3
231.11658	14.1
232.12350	11.8
233.13298	8.7
235.11293	8.9
235.14690	10.2
242.11560	6.2
243.13873	10.5
244.12465	8.6
245.13261	12.6
246.11261	13.0
247.14908	23.6
248.12953	46.0
249.12970	7.2
257.13239	8.0
260.12762	6.8
261.16531	9.4
269.13257	10.6
270.13690	8.6
271.14966	10.0
274.10632	8.9
284.12381	6.5
284.15643	7.9
285.13031	8.3
285.16272	12.4
286.14264	9.5
287.14090	7.3
288.15048	7.8
297.12677	9.1
298.14035	9.0
313.15857	10.4
317.15109	7.3
321.18387	7.4
327.17368	16.0
355.17056	13.0
412.22668	14.9
416.22211	12.6
440.22183	14.4
458.23364	37.7
468.21555	9.3
476.23682	16.1
486.22427	26.9
490.25616	22.0
494.25317	8.7
504.23730	34.5
508.26575	15.4
518.24988	25.1
522.24939	18.0
536.26520	44.6
554.27338	27.2
582.26685	15.9
614.29327	12.1
654.32166	9.3
682.31909	11.9
696.33704	19.3
714.31622	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	714.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
57.03429	0.9
61.02934	1.1
67.05488	0.5
69.03427	3.5
69.71214	1.4
69.71619	0.9
70.06585	0.5
71.04988	0.6
73.02913	1.1
79.05499	0.6
80.04979	0.4
81.03424	1.8
82.06584	0.4
85.02912	5.1
87.04469	0.8
91.05479	0.4
93.07055	1.4
94.06583	2.7
95.04981	0.5
95.07397	0.7
96.08146	2.8
97.02905	2.4
97.06551	0.5
99.04476	0.7
106.06523	0.4
107.07353	1.5
108.04504	0.6
108.08125	6.6
109.02897	0.8
110.06070	0.5
110.09699	4.4
115.01749	0.4
117.84790	0.4
120.04478	1.7
120.08108	4.8
122.06033	6.1
122.09682	3.2
123.06792	0.5
124.07609	0.7
127.03969	1.2
132.08072	0.7
136.07591	9.1
136.08501	0.3
137.05942	0.5
137.08389	0.6
138.05458	0.8
138.09151	8.2
146.06007	1.4
148.07573	5.3
150.05490	0.7
150.09137	6.7
152.07074	2.0
160.04073	0.4
163.82115	0.4
164.07109	1.5
166.08646	15.7
172.04022	0.9
174.05563	0.5
176.10742	1.2
180.10199	0.8
183.09091	0.5
184.09918	0.5
189.07950	0.6
190.05009	1.0
194.08211	1.2
196.09801	0.6
197.10855	1.0
198.11523	0.5
209.10777	0.9
210.11507	0.8
211.08751	0.5
211.12401	1.0
213.10217	0.8
220.09871	0.5
221.10880	0.5
222.07895	0.6
223.08710	1.2
223.12387	1.0
224.09518	1.0
225.10225	3.5
227.11818	1.9
233.10828	1.0
235.08731	1.6
236.09451	1.4
237.10226	10.1
237.12408	0.7
238.10991	1.3
239.08182	1.1
239.11734	4.0
241.09743	0.9
243.11462	0.5
245.13043	0.6
248.09392	2.2
249.10257	8.0
250.10994	2.3
251.08211	2.6
251.11780	9.1
252.09113	1.2
252.12471	2.1
253.09758	6.3
253.13509	0.8
255.11351	3.3
261.10260	5.0
262.11060	1.7
263.08771	0.9
263.11780	6.9
264.08929	0.6
264.12521	0.7
265.09723	12.2
265.13202	1.0
266.10486	2.2
267.11282	6.8
268.11920	0.6
269.09329	1.0
269.12750	0.8
270.89023	0.5
271.10895	1.7
273.12466	0.9
275.08185	0.6
276.08969	1.0
277.09735	4.0
278.06720	1.4
278.10559	5.2
279.07776	2.7
279.11261	17.7
279.14410	0.9
280.09003	0.5
280.11978	3.0
281.09277	3.2
281.12903	2.8
282.10120	1.1
283.10776	5.4
284.11639	0.9
285.12463	1.3
287.13977	1.7
289.09692	11.3
290.10468	1.2
291.11276	5.3
292.08600	0.5
292.11908	0.9
293.09271	5.2
293.12915	5.2
294.10016	3.7
294.13193	0.6
295.10828	4.5
296.11591	2.9
297.12122	3.0
298.09747	0.5
299.10251	1.5
301.11993	0.5
302.06982	0.6
305.09134	0.6
306.10031	1.2
307.10806	4.3
308.11725	1.4
309.12286	5.3
309.26184	0.5
310.12863	0.8
311.10321	6.6
311.14008	3.3
312.11038	2.9
313.11801	3.1
314.12683	1.2
315.13638	0.9
317.09088	2.1
319.10791	0.8
321.08841	0.8
321.12424	1.1
323.10559	2.0
323.13611	2.1
324.11157	1.9
325.11865	4.1
326.12604	3.5
327.13452	6.5
328.14307	0.8
335.10272	16.0
336.10764	0.8
337.11768	3.6
339.09830	1.8
339.13394	45.4
340.10623	4.4
340.14001	0.7
341.11432	4.1
341.15182	1.3
349.11993	1.1
352.10568	1.3
353.11273	8.7
354.12067	4.7
354.15839	0.6
355.12881	17.1
366.12259	1.0
367.12900	40.5
368.13345	0.7
370.15710	1.1
372.17307	0.7
384.17114	0.5
386.14810	0.8
399.15341	0.4
400.16824	0.6
402.18091	0.5
414.18277	0.8
418.17493	0.7
420.19516	0.5
424.16727	0.5
429.17310	0.5
432.19324	1.2
442.17673	1.2
460.18668	3.7
460.83994	0.5
462.20081	0.4
470.17242	0.9
472.18454	1.0
474.20395	1.1
478.19876	1.4
479.20428	0.6
488.18213	23.3
490.19608	0.8
492.21362	1.9
502.19669	1.3
506.19296	14.7
517.17859	0.4
520.20813	27.2
521.21387	0.7
534.18573	2.1
548.20526	0.9
622.24005	1.5
632.22552	1.3
650.23376	14.0
654.26660	1.1
664.25128	1.6
682.26056	100.0
683.26483	2.9
702.46075	0.5
714.28729	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.3
55.01884	2.5
55.05512	21.1
57.07064	2.5
61.02940	2.9
65.03942	8.0
67.05509	100.0
69.07073	20.3
69.17278	26.1
77.49033	2.4
79.05498	73.7
79.64992	2.3
81.07060	91.1
83.08216	2.7
83.08611	14.0
88.07627	3.0
91.05486	94.3
93.06471	5.8
93.07049	82.0
95.04985	6.1
95.08611	60.5
97.06530	6.3
97.10165	7.2
99.08141	2.9
105.04521	3.4
105.07037	51.8
107.08591	34.4
109.06535	3.1
109.10157	21.8
111.07999	2.6
117.05536	2.8
117.07034	20.1
119.08588	36.5
121.10146	44.5
123.08096	3.0
123.11696	8.1
128.02937	2.5
129.07010	8.1
131.08577	24.6
133.10143	26.8
133.33871	2.2
135.11693	22.1
137.13260	4.7
143.08571	7.0
145.10124	19.8
147.11684	16.5
149.09637	2.7
149.13266	9.1
157.10156	6.6
159.11716	11.5
161.13298	11.8
163.14819	4.3
165.12691	3.3
171.11690	3.2
173.13287	10.9
175.14854	3.8
177.12715	2.6
185.13300	4.3
187.14786	4.4
241.19576	3.1
243.21056	2.8
259.20560	14.9
261.22134	14.2
277.21646	3.1
279.23251	7.7
321.24274	11.3
341.79047	2.7
375.25293	15.2
377.26877	2.9
428.77664	2.6
437.28983	15.2
451.10977	2.9
601.44257	4.0
653.47748	3.4
713.49841	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.46
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.8
59.75679	0.6
67.05499	2.6
69.07056	1.0
70.85383	0.5
71.56815	0.9
79.05496	1.6
81.03466	0.6
81.07058	2.1
86.24146	0.6
91.05480	1.7
93.07054	1.6
95.08617	1.9
105.07027	0.7
105.34390	0.6
107.08628	1.1
109.10145	0.7
111.08149	0.7
119.08566	1.1
121.10178	0.9
125.09660	0.5
131.08591	0.7
135.08066	0.8
145.10208	0.8
202.57480	0.6
347.22134	1.5
368.70731	0.6
389.23108	1.3
403.24789	1.4
517.62476	0.6
541.35022	1.1
713.45996	100.0
714.46350	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.1
53.03939	2.8
54.79483	0.7
55.01869	2.7
55.05516	14.4
56.97024	0.7
60.76959	0.8
67.05506	1.7
69.03416	1.3
70.04399	1.5
70.04787	1.9
79.05486	1.7
81.03435	2.1
81.07034	1.2
83.04987	21.1
91.05492	5.0
93.07048	2.6
95.04985	4.4
95.08629	1.6
100.29387	0.7
103.05475	54.1
105.07019	3.0
107.08595	2.0
108.97135	0.7
115.05447	1.9
116.06201	0.8
117.07045	3.9
119.08601	5.3
121.06506	1.5
121.10165	0.6
128.06212	2.5
129.06999	3.8
129.99518	0.6
131.04938	100.0
131.08542	3.9
132.05295	0.9
133.10150	3.7
135.08046	0.8
141.06985	1.5
142.07802	2.0
143.08589	4.1
145.06450	4.2
145.10153	3.2
147.08049	10.9
155.08582	1.3
156.09381	3.5
157.10132	6.9
159.08047	7.2
159.11667	1.1
161.09622	7.7
163.07550	2.1
165.07008	1.1
169.10150	2.0
170.10947	1.1
171.08072	1.6
171.11700	9.0
173.06035	1.5
173.09651	6.1
175.07549	3.1
175.11200	0.9
181.10161	1.6
183.08075	0.8
183.11711	4.2
185.09619	3.4
185.13298	4.7
187.07594	1.9
187.11263	1.1
189.09198	1.3
191.10736	1.2
193.10236	0.9
195.11667	1.4
197.09679	2.2
197.13318	1.7
199.11131	4.4
201.09099	1.0
201.12643	0.7
203.10596	0.9
207.11748	1.0
209.09573	1.3
209.13345	1.0
211.11240	0.9
213.12677	4.5
215.10695	2.0
217.08513	1.2
217.12267	1.1
219.08070	0.7
219.12030	0.7
220.12344	0.7
221.13338	0.8
223.11293	1.4
225.12766	0.9
227.10681	0.8
229.12244	1.5
231.13792	6.4
237.12889	0.9
241.12253	3.9
245.11757	1.6
247.11322	1.4
247.15080	0.8
259.13269	6.7
267.13583	1.0
271.11047	0.8
273.12570	1.2
275.14420	0.8
279.13971	0.7
283.14896	1.4
289.12296	0.8
297.12909	0.7
299.14462	0.9
303.13980	0.9
303.17300	0.8
311.14139	0.9
312.15240	1.3
315.17480	0.8
317.18872	1.3
318.12808	0.7
327.17480	2.4
328.17886	0.7
329.15393	1.4
331.20917	0.9
339.13977	0.9
341.18948	1.2
345.18668	1.1
357.18469	0.9
359.20026	2.6
369.18607	3.2
375.19525	1.8
377.21133	2.9
387.19562	12.2
397.19901	0.8
405.20618	13.3
406.21130	1.1
412.01132	0.8
423.22055	0.9
447.21768	3.3
465.22870	5.2
483.23907	1.0
565.27948	1.6
595.27057	0.8
613.27576	1.0
695.32587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.5
51.02377	0.6
53.03952	2.3
55.01664	0.4
55.01880	4.1
55.05518	21.3
65.03944	0.6
67.05495	1.3
69.03429	1.0
69.07069	1.1
69.84647	1.2
69.85054	0.5
71.04996	0.3
77.03921	0.6
77.81969	0.4
79.05501	3.3
81.03423	2.7
81.07053	1.1
83.04990	34.8
91.05489	8.3
93.07048	2.7
94.25265	0.3
95.04976	4.6
95.08609	0.8
97.06554	0.5
98.20758	0.4
102.04707	0.6
103.05479	44.9
103.71672	0.4
105.04511	1.2
105.07040	6.8
107.04945	2.1
107.08586	2.1
109.06530	1.4
115.05481	3.8
116.06259	1.3
117.07030	6.3
119.04936	0.4
119.08595	8.6
121.06532	1.5
121.10160	1.3
123.08128	0.4
128.06215	3.3
129.07021	5.3
130.07776	1.3
131.04941	100.0
131.08572	5.4
132.05661	0.5
133.06523	1.0
133.10141	7.3
135.08061	1.9
141.06999	1.8
142.07800	3.4
143.08582	6.5
144.05730	0.6
145.06487	6.7
145.10123	5.1
146.07268	0.6
147.08060	20.3
147.11690	1.0
149.09685	1.7
151.48698	0.4
152.06218	0.4
153.05629	0.4
153.07001	1.0
154.07805	0.9
155.08566	3.3
156.09378	4.7
156.10590	0.5
157.06508	0.6
157.10136	9.6
158.07315	1.0
158.10773	0.5
159.08075	12.8
159.11707	2.2
161.05983	0.5
161.09634	10.6
163.07571	4.0
163.11189	0.6
165.06998	1.4
166.07739	0.7
167.08592	1.5
168.09360	1.0
169.06537	0.4
169.10133	3.6
170.07449	0.4
170.10936	2.3
171.08034	3.1
171.11710	15.3
172.08781	0.7
172.12349	0.5
173.06035	2.6
173.09634	7.8
173.13274	0.9
175.07555	3.8
175.11195	1.3
177.09207	0.5
179.08653	0.7
179.10664	0.5
180.09390	0.9
181.10143	1.7
182.07286	0.4
182.10902	1.0
183.08110	1.4
183.11708	8.9
184.08791	1.8
185.09634	5.7
185.13269	9.5
187.07591	3.2
187.11238	2.5
187.14845	0.7
189.09114	1.0
189.12772	0.8
191.08817	0.4
191.10654	1.3
192.09346	0.6
193.10150	1.5
194.10892	0.6
195.08116	1.0
195.11745	2.6
196.08824	0.5
197.09619	2.6
197.13249	2.6
198.10413	1.3
199.07631	0.7
199.11215	6.6
200.12015	1.9
201.09169	2.0
201.12715	1.3
203.08754	0.6
203.10727	1.0
205.10126	0.8
206.10912	0.8
207.11682	2.4
208.08818	0.5
209.09648	1.5
209.13266	1.4
211.11200	2.1
213.09143	1.1
213.12752	8.9
215.08766	0.7
215.10588	2.1
215.14249	0.9
216.09235	0.5
217.08604	1.5
217.10361	0.6
217.12126	2.3
218.10825	0.5
219.11789	1.0
220.12469	0.7
221.09686	0.5
221.13293	1.3
222.10342	0.5
223.11266	2.3
223.14867	0.8
225.09125	1.0
225.12823	1.1
227.10733	1.5
227.14319	0.5
229.10115	1.0
229.12323	3.4
230.10797	0.5
231.09988	0.5
231.11740	1.1
231.13780	10.8
232.08746	0.5
232.12485	0.7
233.09657	0.8
233.13258	1.3
234.10333	0.4
234.14096	0.4
235.11203	1.0
235.14923	0.4
237.12761	1.3
239.10680	1.1
241.10103	0.7
241.12254	6.4
243.11751	1.6
243.13942	0.7
244.12523	1.0
245.09396	0.7
245.11777	2.2
246.10396	0.5
246.13853	0.4
247.11212	1.3
247.15007	0.7
248.12059	0.5
249.12779	0.9
249.16483	0.6
251.14398	1.0
253.12331	0.6
253.15744	0.4
255.11694	0.7
256.12518	0.7
257.11484	0.6
257.13464	1.0
258.10483	0.6
258.14102	0.9
259.11142	0.6
259.13269	10.5
260.11804	0.8
261.12695	2.0
262.13577	0.5
263.14426	0.5
265.12277	0.5
267.14014	0.6
268.12411	0.6
269.13297	1.4
270.14154	0.7
271.11121	1.3
271.14871	0.7
272.12015	0.9
273.12817	1.3
273.16299	0.7
274.13724	0.7
275.14420	1.7
277.12140	0.5
277.16266	0.5
279.13916	0.6
282.10104	0.5
283.11188	1.1
283.14804	1.2
284.12131	0.7
284.15518	0.9
285.12762	1.7
285.16376	0.7
286.13571	1.1
287.14389	2.2
287.17490	0.5
288.15045	0.6
289.12274	1.0
289.15845	0.9
291.13528	0.5
297.12814	1.6
298.13620	0.8
299.14523	1.7
299.17657	0.7
300.15161	0.8
301.15991	2.0
303.13843	1.1
303.17258	0.9
307.13535	0.5
309.15359	0.5
311.14310	1.5
312.15100	1.5
313.16064	1.8
313.19199	0.4
314.13065	0.4
315.14249	0.5
315.17355	2.1
317.15646	0.5
317.18933	2.0
326.16696	0.9
327.13766	1.0
327.17474	3.4
328.14676	0.7
328.18225	0.9
329.15359	2.5
329.19028	0.9
330.16553	0.4
331.16858	0.5
331.20590	0.7
339.13846	0.6
340.14490	0.6
341.19147	2.3
343.16898	0.8
343.20554	0.6
344.17529	0.5
345.14932	0.6
345.18524	2.5
347.16608	0.9
354.16156	0.8
357.18607	1.6
359.20279	3.1
369.18515	4.7
372.17245	0.8
375.19568	3.0
377.21149	3.9
387.19577	18.2
397.20224	0.5
405.20639	17.1
406.21301	0.8
423.21936	2.0
447.21634	2.8
465.22772	8.7
483.23395	0.5
487.24844	0.7
547.26825	0.9
565.27905	1.3
595.26758	0.6
613.27954	2.7
618.64618	0.4
688.19757	0.4
695.31934	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	2.7
53.03946	13.9
55.01855	7.3
55.05513	16.9
65.03945	2.4
67.05502	12.0
68.99809	2.3
69.03434	3.4
69.07042	5.5
69.30393	6.8
69.30802	13.3
69.46662	2.4
76.07491	2.7
79.05500	19.4
81.03410	4.4
81.07063	13.4
81.92792	2.3
83.04993	21.1
87.62868	2.4
91.05492	31.0
93.07037	28.2
95.04971	16.9
95.08635	15.9
95.49071	2.3
98.20789	5.6
103.05482	16.9
105.03394	100.0
105.04521	5.9
105.07037	35.0
107.04961	4.5
107.08602	17.8
109.06509	10.1
109.10143	5.5
115.05446	5.4
117.07042	17.9
119.04954	4.5
119.08596	31.0
121.06509	8.7
121.10126	12.2
123.08066	5.4
127.05739	2.8
128.06210	7.4
129.07014	13.1
130.07806	2.7
131.04941	27.8
131.08559	23.7
133.06505	12.1
133.10143	43.8
135.08061	14.6
137.09621	4.9
141.06946	7.2
142.07761	11.3
143.08562	26.1
145.06473	10.0
145.10117	22.0
146.07289	3.2
147.08044	22.7
147.11717	3.5
149.05952	4.6
149.09576	18.6
150.43762	2.6
151.07597	3.6
153.06923	3.2
154.07771	3.4
155.08574	11.0
156.09360	19.9
157.06491	3.5
157.10136	37.8
159.08096	15.8
159.11670	8.8
161.05931	7.7
161.09651	13.7
163.07553	3.6
163.11191	8.8
165.07042	5.8
166.07831	3.4
167.08595	8.4
168.09303	4.6
169.10129	26.5
170.10895	12.3
171.08046	11.0
171.11688	62.5
172.08736	3.2
173.09624	25.1
173.13264	8.2
175.07570	7.1
175.11133	3.6
177.09074	4.0
178.07706	2.6
179.07076	4.2
179.08540	3.8
180.09331	3.0
181.10158	10.3
182.10944	4.1
183.08264	5.0
183.10063	3.2
183.11710	62.6
184.08778	4.3
184.12393	5.2
185.09660	14.8
185.13268	40.9
187.11195	10.6
187.14880	2.8
189.09074	3.4
191.10529	3.4
193.08617	5.9
193.10213	9.0
194.10875	3.2
195.11655	15.7
196.08792	3.6
197.09660	8.4
197.13266	15.3
198.10367	3.3
199.11130	22.4
200.11969	4.2
201.09100	5.0
201.12726	5.9
203.10664	6.4
205.10246	4.6
205.12154	6.0
206.10905	7.2
207.11708	15.3
208.12489	6.8
209.09679	5.2
209.13223	10.0
211.11186	16.5
213.09201	5.0
213.12749	42.9
215.10675	5.5
217.10103	7.0
217.12218	5.7
218.10994	4.6
219.11716	12.7
220.12424	6.3
221.13232	14.2
222.13956	3.1
223.11194	10.2
223.14824	5.4
227.10687	5.2
229.10199	4.3
229.12288	7.7
230.10928	4.1
231.11699	10.1
231.13853	6.4
232.12500	9.4
233.13298	11.4
234.13983	8.3
235.11104	5.3
235.14703	12.2
237.12617	5.9
237.16476	3.6
239.10612	3.8
239.14308	2.9
241.12202	11.3
242.10957	4.4
243.11671	6.5
243.13898	11.9
244.12456	10.3
245.13248	11.2
245.15424	16.4
246.13963	6.5
247.15051	12.7
248.11798	4.3
248.15601	7.6
249.12782	4.6
249.16359	10.4
251.10693	2.7
251.14357	4.4
251.18024	3.6
254.62675	2.7
255.11536	5.0
255.13872	7.3
256.12399	4.4
257.13217	10.4
258.13998	8.8
259.11139	3.2
259.14996	16.2
260.12054	4.6
260.15616	6.1
261.12704	4.0
261.16507	11.6
262.17514	3.5
263.14218	7.1
263.17972	6.0
265.15973	3.5
269.13037	4.6
270.14130	7.2
271.14981	3.7
272.15607	5.9
273.14575	14.2
274.13437	3.9
275.14322	11.5
275.17651	3.4
276.15201	4.0
277.15875	9.0
285.12741	4.1
285.16479	7.5
287.10809	3.4
287.14407	7.3
287.17725	5.3
288.14999	3.6
289.16199	5.7
291.17398	6.1
293.15503	4.3
293.18942	5.2
295.16989	3.7
299.14224	4.4
299.18069	2.6
300.15042	3.4
301.15799	8.0
301.19177	2.8
303.13876	5.0
303.17438	10.0
305.15326	3.4
305.18948	5.8
307.13379	3.1
313.15906	7.0
315.17374	10.8
317.15341	6.7
317.18927	5.1
319.16882	8.3
319.20532	2.9
321.18466	6.0
323.20166	4.1
327.17380	5.1
329.18912	9.3
331.16934	9.8
333.18533	13.2
345.18423	9.4
347.16321	7.6
347.20117	5.3
349.17984	16.1
351.19510	6.1
355.17078	3.0
357.18384	4.0
359.16367	11.3
361.17929	4.8
363.19519	11.1
367.19122	5.9
373.18042	19.7
375.19473	6.7
377.17368	20.5
387.19379	3.9
389.21161	9.4
391.19211	25.3
393.20462	5.3
395.18338	6.2
401.17407	9.8
405.20697	7.8
407.22382	8.0
409.20093	9.8
419.18518	22.3
421.20053	6.1
423.21539	9.8
433.20010	19.8
437.19525	15.7
441.22736	3.8
451.21143	34.4
469.22144	26.1
473.23230	6.1
566.24683	3.0
591.25568	10.3
713.29633	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	713.1559
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.03957	1.2
55.01873	1.4
57.03419	0.8
61.02917	1.1
68.99791	0.7
69.03436	3.8
70.06569	0.5
70.51234	0.2
70.90453	0.5
71.04974	0.9
73.02905	0.9
81.03419	5.5
84.08152	0.3
85.02909	9.7
86.09702	0.3
87.00829	3.9
91.03927	0.4
93.03391	0.4
95.04977	0.2
97.02908	3.5
99.04457	2.1
101.02358	0.3
104.83153	0.3
105.01868	2.3
107.04926	0.5
109.02881	4.1
111.00772	0.8
117.01841	0.6
121.02859	0.4
127.03918	7.8
129.01788	0.4
137.02348	2.1
142.30832	0.2
145.04968	2.9
149.02325	0.3
151.99101	0.3
153.01857	2.1
159.02901	3.0
163.03900	0.8
165.01836	2.0
183.02852	0.8
191.03651	0.3
191.06857	0.2
195.02942	0.3
201.05415	1.4
213.03915	0.2
216.41942	0.3
219.06476	0.4
229.04979	3.3
231.05022	1.4
247.06006	0.3
257.04514	2.5
274.04718	0.4
285.03970	1.2
303.04996	100.0
304.05368	1.1
327.04816	0.3
338.12064	0.2
345.05984	0.5
359.00827	0.2
440.30460	0.2
465.10303	22.2
466.10660	0.4
507.11475	0.3
551.10394	0.7
556.73706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.4
51.02374	0.5
53.03948	1.7
55.01664	0.2
55.01873	2.2
55.05516	1.6
57.03435	0.2
59.04990	0.2
63.87365	0.2
67.05502	1.1
69.03432	0.5
77.03908	1.1
79.05496	2.0
81.03416	1.4
81.07048	0.5
83.04979	2.4
85.02925	0.2
91.05487	3.5
91.15694	0.2
93.03413	0.3
93.07052	1.2
95.01343	0.7
95.04973	4.0
95.08620	0.7
97.06538	0.2
98.20780	0.4
100.97980	0.2
102.04639	0.4
103.05470	47.9
105.03396	0.3
105.04516	1.0
105.07032	7.0
107.04973	1.1
107.08572	0.6
108.89980	0.2
109.06522	0.9
111.04442	0.3
115.05463	2.1
116.06248	0.4
117.07019	1.9
119.04930	0.9
119.08591	1.0
121.02867	0.2
121.06491	1.3
123.04451	0.2
123.08048	0.5
127.05418	0.2
128.06230	1.3
129.07010	2.7
131.04932	100.0
131.08536	1.9
132.05231	1.0
133.06494	5.9
133.10107	0.6
134.07277	0.3
135.04417	0.7
135.08049	1.5
137.05977	0.2
139.03906	0.2
141.07013	1.5
142.07751	1.2
143.04976	0.3
143.08556	1.8
145.06474	3.2
145.10144	1.1
147.04379	0.4
147.08046	1.0
147.15173	0.2
149.06007	1.0
151.07568	0.6
152.06198	0.7
153.06984	1.2
154.07773	1.0
155.06068	0.4
155.08571	1.1
156.09357	0.4
157.06511	1.6
157.10132	1.4
158.07259	0.4
159.04427	0.3
159.08031	2.4
161.05984	11.1
161.09641	0.7
162.06844	1.0
162.08011	0.2
163.07529	2.6
165.06955	1.7
166.07919	0.4
167.07233	0.3
167.08585	2.1
168.09389	0.4
169.06470	1.0
169.10114	2.2
170.11011	0.2
171.04330	0.3
171.08034	1.8
171.11688	0.4
172.08748	0.4
173.05995	0.4
173.09654	1.4
175.07553	0.8
177.05530	0.3
177.06979	0.3
178.07742	1.2
179.07018	0.6
179.08594	2.5
180.09355	0.8
181.06520	1.2
181.10161	1.1
182.07205	1.0
183.08028	1.8
183.11682	0.4
184.08865	0.4
185.06024	1.6
185.09610	3.2
185.13138	0.3
186.06682	0.2
186.10414	0.4
187.07576	1.7
187.11180	0.4
189.05443	0.5
189.07143	0.4
189.09068	1.3
190.07782	0.7
191.08562	0.5
192.05647	0.3
192.09428	0.5
193.10091	1.0
194.07266	0.3
194.37988	0.2
195.08080	2.9
195.11697	0.4
196.08806	1.1
197.06029	0.7
197.09647	4.7
198.06837	0.5
198.10390	0.6
199.07576	1.6
199.11224	1.2
201.05563	0.2
201.09099	1.2
202.07744	0.4
203.07037	0.8
203.08603	0.5
204.09274	0.3
205.08604	0.6
205.10272	0.5
206.07367	0.4
206.10829	0.3
207.08067	3.1
207.11734	0.6
208.08794	2.1
209.06033	0.6
209.09624	3.7
210.06789	0.3
211.07599	2.1
211.11162	0.9
212.08415	0.4
213.05519	0.5
213.09109	4.1
213.12679	0.4
214.09941	0.5
215.06905	0.9
215.08820	0.4
215.10654	0.5
216.09476	0.2
217.08488	1.6
217.10451	0.4
218.07187	0.2
218.10797	0.3
219.08235	0.4
219.11783	0.5
220.08856	0.5
220.12439	0.3
221.06088	0.2
221.09604	0.9
221.13187	0.3
223.07599	3.3
223.11154	2.1
224.08331	1.8
225.05663	0.4
225.09100	8.7
226.09863	1.0
227.06902	0.9
227.10620	1.8
229.08611	0.6
229.10406	0.3
229.12190	0.4
230.10941	0.4
231.06483	2.2
231.11864	0.4
232.08931	0.3
233.07777	1.4
233.10043	0.4
233.13243	0.4
234.10519	0.5
235.07550	5.4
235.11238	0.8
236.08289	0.3
236.11842	0.3
237.09111	1.7
237.12781	0.4
238.09831	0.4
239.07011	0.7
239.10666	1.7
241.08488	4.1
241.12312	0.4
242.11153	0.3
243.06560	0.6
243.09795	1.2
244.08925	0.2
244.12521	0.4
245.07878	2.4
245.13408	0.5
246.10434	0.5
247.07585	0.3
247.09720	1.0
247.14877	0.4
248.08469	0.2
249.09204	0.6
249.12743	0.4
250.09964	0.3
251.07037	2.0
251.10687	0.9
251.14172	0.2
252.07684	0.3
253.08203	1.1
255.09850	1.8
256.08823	0.3
256.12473	0.3
257.07770	1.7
257.11887	0.9
258.10483	0.6
258.13824	0.3
259.09348	0.3
259.11353	0.7
259.14951	0.5
260.12134	0.3
261.09195	0.6
261.12781	0.7
263.10684	1.1
263.14276	0.2
265.08582	1.2
265.12430	0.2
265.15927	0.3
267.10107	6.3
268.12579	0.4
269.07840	1.2
269.13739	0.5
270.10519	0.5
271.11133	0.8
271.14719	0.3
272.12070	0.6
273.12848	0.6
274.13638	0.2
275.10712	0.8
275.14355	0.4
276.11505	0.3
277.08710	0.3
277.12311	0.5
279.10297	0.6
281.12225	0.2
282.10400	0.4
283.09451	2.7
283.14624	0.3
284.12003	0.3
285.08484	0.3
285.11130	1.2
286.09900	0.4
286.13638	0.6
287.10614	0.6
287.14188	0.5
289.08682	0.6
289.12296	0.8
289.15726	0.4
290.13116	0.2
291.10199	0.9
291.13718	0.4
293.11761	0.3
296.12030	0.8
297.09222	0.5
297.12811	0.9
298.10101	0.3
298.13562	0.5
299.10660	0.8
299.14026	0.4
300.11554	0.5
301.10620	1.1
301.15866	0.7
302.09503	0.4
302.13000	0.3
303.10147	0.6
303.13736	0.6
303.17297	0.4
304.11026	0.2
304.14435	0.3
305.12006	0.4
311.10468	0.3
311.14267	0.8
312.11432	0.4
313.12259	0.9
313.15665	0.4
314.13123	0.6
315.10315	0.4
315.13843	0.8
316.10980	0.3
317.11743	1.2
317.15375	0.5
319.09708	0.4
319.13318	0.3
321.15002	0.2
324.11511	0.6
325.12314	0.7
326.12976	0.4
327.10251	0.4
327.13919	0.6
328.10840	0.3
329.11661	0.8
329.15405	1.6
331.13400	0.9
332.14001	0.4
333.11197	0.6
333.14795	0.3
339.13834	1.2
341.11804	0.5
341.15417	1.0
342.12549	0.4
343.13297	1.3
343.16928	0.3
345.14874	0.8
347.12704	0.2
347.16544	0.5
349.12653	0.2
351.12396	0.4
352.10898	0.2
353.11783	0.3
355.13235	0.6
357.14841	2.6
359.12885	0.6
359.16690	0.4
361.14365	0.7
362.15320	0.3
367.13315	1.3
369.15018	0.3
370.12177	0.3
371.12744	0.4
373.14346	0.8
375.15973	1.4
383.12933	0.4
385.14282	3.7
387.14838	0.7
388.13226	0.2
389.13739	0.6
391.15363	0.4
395.12418	0.9
399.15781	0.5
401.13828	0.7
403.15259	5.1
408.96280	0.2
413.13901	1.9
415.15582	0.3
417.17099	0.9
419.14880	2.1
421.15878	0.4
421.20911	0.3
427.15424	1.2
431.14868	2.3
433.16510	0.9
435.17670	1.4
445.16376	2.9
449.16220	0.4
453.22327	0.3
463.17535	15.3
464.17764	0.5
481.18677	0.7
487.17780	0.3
505.18579	0.9
513.24719	0.4
515.16949	0.3
533.18335	0.5
535.19476	1.0
537.20776	0.3
547.19574	0.8
551.19403	0.5
565.20703	1.9
581.19934	0.2
611.22620	0.5
653.23608	0.9
669.22839	0.3
681.22772	0.3
695.24890	0.9
713.25769	10.9
713.36664	1.1
714.26147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.9
51.02365	1.1
53.03946	2.3
54.72750	0.7
55.01872	2.8
55.05515	12.1
57.03436	13.8
57.03873	0.9
57.07075	1.9
59.26131	0.7
61.02925	2.8
65.03931	1.5
67.05505	55.1
67.10577	0.7
69.03425	1.7
69.07068	12.1
69.51369	4.6
71.01357	2.0
71.04996	4.5
79.05497	39.3
81.03417	3.5
81.07058	37.1
83.04987	10.9
83.08620	5.2
85.02896	2.7
85.06536	2.7
91.03914	0.9
91.05486	20.1
93.07044	50.7
95.04992	4.0
95.08609	25.9
97.02903	1.0
97.06529	9.2
97.10153	7.4
99.08080	1.4
105.04578	1.2
105.07031	9.3
107.04951	1.5
107.08600	30.1
109.06501	1.4
109.10158	12.9
111.08089	2.5
117.07033	4.6
119.08585	10.7
119.12809	0.8
120.37926	0.8
121.10149	14.9
123.11701	2.9
125.09655	2.0
128.06189	0.8
129.07016	0.8
131.08598	5.3
133.10124	8.7
134.10454	1.0
135.08093	1.2
135.11694	42.5
136.11975	1.1
137.00729	0.8
137.09621	1.7
140.14432	1.1
140.45120	0.7
143.08577	0.9
145.10124	10.3
147.11676	3.4
149.13290	4.1
149.78683	0.7
151.11208	1.2
153.12772	4.4
157.10153	0.9
159.11710	3.4
161.13260	2.5
163.11197	5.5
163.14870	2.2
173.13245	3.3
175.14743	1.0
177.16405	1.1
181.12236	11.0
187.14897	1.3
199.13193	1.7
225.19128	0.8
227.12721	1.3
233.22694	0.9
243.21135	2.9
253.14297	3.4
255.15918	100.0
261.22134	9.7
275.73679	0.8
317.24841	1.9
335.25800	52.0
336.26010	2.1
423.32541	2.2
441.33536	1.6
497.36432	1.9
503.00162	0.8
515.37329	70.6
516.37476	3.2
522.61755	0.8
533.38281	3.5
573.05298	0.8
690.55054	0.7
712.44543	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	25.0
57.80652	4.5
66.14975	5.2
67.05494	14.0
68.38731	4.2
69.03442	10.3
69.50184	32.4
79.05492	17.3
81.03391	6.8
81.07059	21.5
83.04983	37.3
85.02920	6.3
91.05484	17.0
93.07066	20.5
95.04972	20.8
95.08589	12.5
97.06525	6.5
101.02345	5.2
103.05463	23.8
105.03385	14.4
105.07034	27.5
107.04932	9.3
107.08605	10.1
109.06511	12.4
109.10143	6.0
111.04414	6.9
117.07018	12.4
119.04933	6.0
119.08602	31.7
121.06508	14.5
122.09587	4.7
123.04479	6.8
123.08064	16.8
125.52457	4.5
129.07008	5.0
131.04938	54.5
131.08571	14.9
132.05251	12.4
133.06479	9.6
133.10129	15.1
135.08026	5.6
137.05986	5.6
143.08546	18.3
145.06476	10.1
145.10135	19.2
147.04349	5.6
147.08067	7.1
149.05997	7.8
149.09644	12.0
155.08545	11.4
156.09325	13.9
157.10158	31.0
159.08072	17.4
159.11699	16.1
161.05969	11.1
161.09595	12.1
163.07515	6.4
167.08528	4.4
168.09363	5.6
169.10135	25.2
170.10962	23.5
171.08037	8.9
171.11705	32.9
173.06007	5.5
173.09627	15.0
173.13240	9.0
175.07567	9.2
177.09167	5.1
179.08539	5.8
181.10146	11.7
183.11703	100.0
184.12315	6.9
185.09639	12.4
185.13223	20.9
187.11115	7.8
193.10086	12.0
194.10992	6.6
195.11699	16.1
197.09697	11.6
197.13252	10.6
199.11189	16.4
201.09038	5.2
201.12744	14.6
203.10571	5.4
206.10854	9.1
207.11781	26.8
208.12379	12.2
209.09648	5.5
209.13194	14.1
210.13651	4.7
211.11205	21.3
213.12704	18.1
218.10912	8.3
219.11659	13.0
220.12436	9.4
221.13104	24.0
222.13986	8.7
223.11281	11.9
223.14842	20.0
225.09164	5.6
225.12675	9.6
225.16380	4.6
229.10052	6.1
229.12189	9.5
230.10902	9.3
231.11726	11.8
231.13808	6.7
232.12399	11.7
233.09546	4.9
233.13222	19.0
233.15294	4.9
234.13951	7.7
235.11195	9.6
235.14763	17.5
236.11781	7.0
237.12793	9.8
237.16373	63.0
239.14433	8.3
241.12354	7.1
243.13881	11.0
244.12332	10.1
244.14589	5.3
245.13222	13.4
246.10217	5.8
246.13811	10.6
247.11284	6.8
247.14818	25.9
248.11990	7.6
248.15512	9.0
249.12701	14.6
249.16380	12.3
251.14290	17.5
255.11546	5.2
258.13907	9.0
259.14822	14.7
260.11993	6.1
260.15509	7.3
261.12659	11.0
261.16418	17.8
262.13480	6.9
263.14246	13.9
263.17926	19.0
265.13168	4.1
265.15906	24.6
267.13828	11.2
272.11853	5.0
273.12650	11.5
273.16370	13.7
275.14542	9.8
277.15808	11.5
278.16418	5.8
279.17471	23.2
281.15442	5.3
283.17148	8.4
285.12778	12.6
286.13434	8.6
287.14349	9.4
288.14999	8.3
289.15829	17.7
290.16827	4.7
291.13965	8.0
291.17361	14.1
293.15405	8.1
299.14304	10.9
300.14935	4.6
301.12485	5.7
301.15912	14.6
303.13480	4.4
305.15286	10.3
307.17020	22.7
313.11972	5.0
315.13898	5.3
315.17386	11.9
317.15543	10.4
319.16821	17.5
321.18359	6.6
323.20282	6.3
325.17975	13.6
328.14340	5.5
329.15134	5.0
331.16934	5.3
335.16373	11.6
337.17987	6.9
343.16949	14.7
345.18396	4.9
347.16299	11.0
353.17416	9.5
361.18051	22.3
362.18237	5.7
365.17447	12.4
367.19012	16.3
369.20804	6.6
371.16470	13.6
373.17871	5.7
379.19012	29.4
385.20071	5.2
389.17480	33.2
397.20081	7.4
398.19727	5.4
403.19168	6.7
405.16946	5.5
407.18619	43.7
411.21616	5.3
417.16919	7.6
421.20239	11.3
425.19614	28.9
435.17932	22.0
439.21472	22.6
449.19583	9.9
453.18585	7.3
457.21878	13.0
467.20450	18.0
471.23389	6.8
481.22144	6.1
485.21780	21.6
499.22876	5.9
511.22876	15.2
517.24390	10.7
521.21063	7.0
529.24414	9.3
531.25946	53.5
539.22449	9.4
553.24011	7.2
571.25806	7.8
627.27594	4.9
631.27393	38.6
663.30115	52.9
677.29089	6.2
712.34283	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	712.354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.1
55.01851	3.4
55.05508	7.3
57.03439	3.1
67.05492	11.0
69.03427	6.6
69.07069	3.8
69.26279	10.6
69.26699	12.6
71.01353	2.6
75.71680	2.1
77.03886	2.4
79.05479	9.5
81.03398	4.3
81.07060	13.4
83.04964	14.6
85.02884	4.1
91.05477	14.2
92.05767	2.7
93.07056	11.8
95.04970	13.3
95.08589	11.0
97.02915	3.2
101.02359	4.4
101.79262	2.7
103.05470	14.4
105.03401	47.3
105.04500	4.3
105.07049	13.4
106.03720	9.3
107.04958	5.8
107.08588	7.8
109.06519	6.9
109.10149	4.0
111.04441	5.8
114.58344	2.5
115.05474	3.4
117.06996	6.3
119.04976	3.6
119.08606	14.3
119.09333	2.7
121.06523	6.4
121.10142	4.7
121.91553	2.6
123.08052	8.7
126.05617	2.4
128.06146	3.4
129.07004	5.6
131.04935	24.9
131.08572	10.6
133.06516	5.4
133.10120	7.8
135.04375	2.7
135.08060	7.1
137.02359	5.5
142.07837	5.7
143.08527	12.4
145.06502	6.6
145.10147	7.1
146.71458	2.7
147.04434	3.2
147.08060	10.2
149.06015	2.9
149.09648	4.8
155.08521	6.5
156.09283	6.9
157.10159	22.4
158.10606	4.4
159.08066	11.2
159.11684	10.9
161.06015	5.2
161.09634	7.1
165.06950	2.7
167.08566	5.7
168.09236	2.7
169.10103	12.6
170.10837	6.1
171.08054	4.8
171.11700	23.9
172.11993	5.5
173.09642	13.6
173.13142	4.2
175.07533	3.8
177.05559	4.8
177.09096	3.4
178.07913	3.8
179.08551	5.7
181.10091	11.7
182.10919	3.0
183.08026	3.2
183.11684	33.1
184.12012	5.1
185.09607	9.8
185.13228	11.2
186.10358	2.8
186.13614	4.3
187.11209	7.5
189.09045	4.2
192.09280	3.4
193.10156	11.4
194.10942	7.1
195.11742	14.9
197.09621	9.4
197.13249	4.5
198.10077	3.5
199.11165	9.9
201.12682	4.7
205.10210	3.6
206.10919	5.5
207.11710	17.8
208.12415	10.6
209.09595	6.7
209.13261	13.8
211.11246	13.6
211.14709	3.6
213.09033	4.0
213.12723	8.7
214.13071	3.3
215.10564	3.3
216.09271	3.0
217.10342	5.1
217.12242	3.6
218.10658	2.8
219.11685	6.7
220.12422	7.5
221.13298	22.2
222.10382	2.7
222.13931	8.7
223.11223	4.1
223.14792	16.9
224.15482	5.2
225.12752	5.8
225.16229	3.9
226.09918	3.4
229.10158	3.7
229.12212	4.8
231.11652	9.6
231.13760	5.9
232.12404	7.0
233.13145	9.6
234.13895	5.4
235.11113	10.1
235.14838	12.7
236.11955	3.7
236.15379	5.4
237.12762	7.6
237.16396	36.4
239.10817	3.3
239.14281	5.3
241.12265	3.1
243.11635	6.1
244.12473	5.7
245.13185	10.9
246.14000	9.6
247.11409	5.5
247.14780	17.5
248.15564	4.0
249.12762	11.3
249.16364	11.3
250.13370	3.5
250.16933	3.0
251.14328	22.4
251.18034	6.6
253.15866	4.8
256.12793	3.7
257.13367	4.9
258.14084	5.9
259.11099	4.9
259.14731	8.8
260.11768	5.0
260.15338	4.7
261.12744	9.9
261.16449	14.1
262.13553	3.8
262.16718	3.7
263.14304	10.4
263.17892	5.5
264.14929	3.2
265.15939	11.6
267.14072	3.5
271.14740	4.6
273.16364	4.8
274.13541	3.8
275.14301	7.1
275.17725	4.2
276.14841	3.7
277.12469	3.9
277.15869	9.6
278.16666	3.9
279.14041	4.8
279.17429	12.8
283.17181	4.3
284.11908	2.7
285.12653	3.6
285.16254	3.4
286.13467	4.6
287.14258	6.1
287.17960	3.4
288.15085	6.3
289.15863	7.0
290.16428	3.1
291.14026	4.6
291.17374	9.3
292.17877	4.3
293.15482	5.6
295.16730	4.0
299.14349	5.9
300.14975	5.9
301.15918	8.0
303.13681	3.0
303.17117	3.8
304.17691	4.0
305.15396	4.8
305.18961	3.4
307.16916	10.9
309.14700	3.6
309.18536	4.0
312.14896	2.5
315.17355	5.9
317.15213	3.0
319.16876	9.1
320.17368	3.6
323.16278	3.6
325.18018	10.5
331.17136	2.9
333.18362	4.3
335.16379	8.3
337.17935	5.8
343.17014	9.8
347.16385	9.6
351.19449	6.7
353.17389	6.8
359.16425	3.4
361.18030	17.0
363.15671	3.9
365.17517	6.2
367.15228	4.8
367.19269	4.3
369.20319	4.2
371.16342	4.5
374.18112	4.6
379.19141	13.2
389.17551	23.5
392.19183	5.1
393.16776	3.8
397.20251	4.4
399.17639	8.7
402.17514	3.2
403.19000	4.8
407.18546	31.4
408.18570	3.4
417.16922	10.4
421.20050	6.1
425.19580	27.3
435.17853	12.1
437.19751	3.8
438.19714	5.5
439.21158	8.0
449.19653	7.1
452.21445	7.1
457.22305	17.2
467.20493	7.3
470.22769	3.3
485.21564	9.5
499.23264	3.6
517.24396	7.9
530.24036	3.0
531.25977	5.7
539.22430	8.7
631.27295	10.2
663.30188	100.0
694.80878	3.0
712.27344	3.0
712.36603	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	712.334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63439	2.6
53.03938	5.7
55.05516	79.2
56.05832	3.8
57.44116	2.6
63.68753	2.5
65.57379	2.6
67.05494	5.6
70.79703	9.5
79.05489	6.4
81.07038	3.8
83.04987	100.0
84.04507	12.5
91.05470	14.0
93.07039	9.6
95.04989	6.8
95.08569	5.5
103.05453	11.3
105.07028	20.1
107.08594	7.0
108.82364	2.7
115.05421	4.0
117.07030	11.0
119.04929	3.7
119.08596	20.8
120.08920	3.7
121.06503	5.6
121.10138	5.6
128.06216	5.6
129.07002	8.3
131.04941	20.3
131.08597	15.6
132.05263	4.5
132.08101	3.6
133.06473	7.6
133.10095	13.8
133.96773	3.1
135.08047	6.6
142.07784	8.6
143.08594	15.6
144.08983	3.2
145.06482	12.2
145.10112	14.3
147.08043	8.1
149.09612	8.7
155.08534	7.4
156.09341	8.6
157.10118	19.2
159.08080	8.3
159.11679	8.6
160.07556	2.9
161.06029	12.0
161.09660	4.6
163.11163	3.9
165.06961	4.5
167.08615	4.1
169.10162	15.9
170.10939	8.0
171.08046	12.1
171.11708	32.4
172.12155	4.5
173.09631	12.2
175.07574	4.0
175.11305	3.0
177.09181	3.6
179.08472	3.5
181.10075	6.7
183.08046	6.2
183.11700	30.8
184.08823	3.0
184.12163	5.0
185.09610	7.9
185.13278	32.0
187.11246	6.6
189.05455	3.5
193.10175	7.0
194.10696	3.1
195.11728	7.6
197.09628	8.3
197.13234	6.1
199.11188	11.6
200.11745	4.7
201.09157	3.0
201.12827	4.1
205.12395	3.9
207.11696	6.0
211.07588	3.2
211.11208	12.8
213.09187	3.0
213.12759	47.6
214.13058	9.1
215.10785	5.2
219.11684	3.2
220.09682	5.1
221.13359	7.1
225.09007	3.5
229.10120	5.8
229.12180	4.5
231.09932	4.2
232.12468	4.3
233.13309	3.9
235.11200	3.6
243.13889	8.8
245.13284	4.6
245.15367	16.5
246.13925	4.1
247.14873	7.2
249.12822	3.6
249.16315	4.0
257.11600	3.8
258.14288	4.6
259.14883	7.4
260.15515	3.0
261.16464	3.7
270.13873	4.7
271.14914	4.0
273.14740	20.5
275.14240	4.5
285.15948	3.5
287.10715	3.8
287.14185	3.2
289.15665	3.7
300.14844	3.2
303.17371	4.1
313.15829	8.3
316.14313	3.6
317.15216	7.0
317.18604	3.6
319.16971	5.5
321.18753	3.7
331.17087	7.0
341.15417	3.8
345.18570	4.3
349.18005	4.5
357.18436	3.5
359.16422	8.2
360.16772	4.4
373.18243	5.5
374.17993	5.1
377.17606	8.9
391.19034	7.9
393.00131	3.4
400.19043	3.9
401.17532	4.9
402.17471	3.8
405.20428	3.6
409.20038	14.9
415.19009	3.5
418.20087	4.1
419.19135	3.1
432.21915	5.3
433.20062	4.9
434.20532	6.8
451.21130	4.3
452.21442	5.6
464.24655	3.2
469.22379	5.0
474.22769	4.2
492.23679	12.1
510.24896	5.4
529.24323	31.4
552.26068	3.7
553.24292	13.0
570.26379	3.1
584.29242	3.6
612.27454	5.2
654.29620	9.4
654.81262	2.8
668.32104	3.0
670.29498	10.6
680.30151	4.2
712.30933	79.1
713.36304	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	712.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
55.05515	61.4
56.05840	3.3
67.05492	1.8
69.03442	3.0
69.07074	3.6
75.88509	1.5
79.05487	7.3
81.07066	3.4
83.04985	100.0
84.04504	10.7
84.05311	3.6
84.72220	1.7
91.05483	14.2
93.07037	11.9
95.04974	4.9
95.08582	3.9
102.88593	1.8
103.05475	4.1
105.07048	15.4
106.07342	2.2
107.08599	7.7
109.06501	2.3
115.05448	6.3
117.07050	8.6
119.04961	2.1
119.08576	13.2
121.06496	2.5
121.10158	5.9
123.08049	1.9
128.06268	3.6
129.06969	5.7
130.07936	1.7
131.04933	5.4
131.08611	12.0
132.08067	2.1
133.06503	7.9
133.10132	11.2
134.09636	2.5
134.10544	1.7
135.04475	2.3
135.08052	6.8
142.07759	6.0
143.08580	12.2
145.06441	8.9
145.10144	8.1
146.44228	1.8
147.08064	7.0
149.09645	5.4
153.06966	1.8
154.07713	2.9
155.08572	6.1
156.09390	8.9
157.03297	2.1
157.06450	2.5
157.10138	18.9
158.10504	3.6
159.08089	10.6
159.11723	3.5
161.05946	9.2
161.09642	6.8
162.06386	2.0
163.07494	5.0
163.11230	4.4
165.06970	2.0
166.07573	2.1
167.08554	2.5
169.10130	18.2
170.10902	9.7
171.08038	10.1
171.11691	37.4
172.08849	2.0
172.12070	6.0
173.09618	10.6
174.09123	3.1
175.07547	5.8
177.09129	2.0
179.07095	2.4
179.08534	2.5
180.09383	2.1
181.10213	5.4
183.08037	5.1
183.11696	23.5
184.08736	2.4
184.12152	3.5
185.09627	7.0
185.13251	30.3
187.07567	2.3
187.11208	5.3
189.05473	3.0
192.09552	2.4
193.10185	2.3
194.10872	2.9
195.11674	6.4
197.09587	9.7
197.13277	7.2
198.10338	5.2
199.07652	2.5
199.11150	12.0
200.11888	2.5
201.08897	2.3
201.12752	4.1
203.08655	2.6
203.10464	2.5
207.11723	5.0
209.09750	2.0
209.13261	4.7
211.11128	10.5
213.09143	5.4
213.12743	39.7
214.13113	3.3
215.10640	3.0
217.10266	2.5
217.12172	2.5
219.11754	4.2
220.09592	4.4
220.12418	3.2
221.13260	6.9
222.13843	2.2
223.11171	6.8
223.14845	2.1
224.11839	2.0
225.09090	4.2
225.12711	2.4
229.12265	4.5
229.58859	2.1
231.11841	4.3
232.12151	2.1
233.13307	5.2
235.11070	2.2
235.14795	4.8
237.12714	4.4
241.12321	4.5
243.11699	3.1
243.13739	8.2
244.12401	2.9
245.13170	6.4
245.15356	14.9
246.13617	2.5
246.15871	5.1
247.11256	3.3
247.14809	5.7
248.09087	2.1
249.12743	3.3
249.16228	2.7
251.14252	3.1
255.11607	3.6
255.13908	3.0
256.12482	2.5
257.13510	3.0
259.14957	3.9
260.15491	4.3
261.12726	4.0
261.16309	6.1
262.13101	2.2
263.14108	1.9
267.11826	2.8
268.12170	1.9
269.13266	5.0
270.13986	2.2
271.14957	3.6
272.15506	4.7
273.14828	23.1
273.75455	1.9
275.14261	4.4
275.17667	2.7
277.12201	2.1
283.11462	1.9
283.14780	2.6
284.11722	3.1
285.12512	2.4
285.16171	2.8
286.13275	1.9
287.14420	2.7
288.14972	1.9
289.15750	5.2
293.15356	1.9
295.14584	2.4
297.16385	2.4
298.13293	1.9
299.14249	4.6
299.17697	3.4
300.18301	1.9
301.11978	2.3
302.16489	2.0
303.14078	2.5
303.17569	4.4
307.16943	4.5
313.15805	4.2
315.17264	2.3
317.15234	5.9
319.16895	4.2
327.17487	4.4
331.13193	2.1
331.16833	10.7
333.17868	2.3
335.16592	4.1
341.15198	3.0
342.15689	2.9
345.18484	2.3
349.18005	5.8
350.18387	2.0
355.16971	4.4
356.17334	2.8
359.16205	4.6
360.16211	2.1
363.03391	1.9
363.19507	2.6
373.18018	3.8
374.18323	6.0
377.17410	8.6
379.18781	2.6
383.16336	3.1
384.16827	2.7
390.20978	2.4
391.19055	9.8
392.19406	3.9
400.19138	2.7
401.17416	6.5
402.17950	5.8
402.95493	2.2
405.20486	2.3
406.20889	2.9
409.20099	9.7
414.20682	2.3
415.19156	3.3
419.18634	4.0
420.18887	6.6
424.21948	2.2
430.23737	2.0
432.21796	3.1
433.19989	5.0
434.20294	9.6
442.20151	3.2
451.21057	5.1
452.21573	6.8
460.21170	5.1
462.22827	3.5
464.24390	6.1
469.22116	8.9
470.60352	2.2
474.22659	5.2
479.20370	2.4
492.24008	10.2
510.24902	2.0
511.23227	3.2
512.23584	2.8
529.24292	37.5
552.25867	4.9
553.24493	10.7
568.29346	2.0
584.28290	2.6
594.27411	5.9
612.28070	4.0
630.28870	3.9
652.28094	6.6
680.30292	3.2
712.21729	3.0
712.33337	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	712.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.3
53.03939	8.1
54.47948	1.7
55.01878	2.3
55.05514	9.5
67.05499	4.4
69.03413	2.3
69.07052	3.6
79.05475	2.6
81.07050	3.3
83.04992	12.9
91.05475	11.3
93.07045	5.1
95.04960	7.1
95.08619	5.6
97.06535	1.8
98.21569	3.2
103.05466	17.4
105.03395	76.3
105.04519	5.1
105.07029	11.0
107.08594	5.4
109.06598	2.1
111.04436	4.8
115.05460	4.9
117.07005	9.5
119.04884	2.4
119.08585	16.0
121.06491	2.3
121.10095	1.9
123.08064	2.5
125.05960	2.7
128.06212	4.1
129.06978	4.1
131.04936	34.1
131.08559	10.3
132.05261	2.3
133.06488	3.3
133.10121	7.4
135.08052	3.6
142.07767	4.8
143.08551	13.0
145.06480	7.6
145.10133	8.2
147.08041	6.6
147.11699	2.5
149.09650	4.6
155.08530	3.4
156.09338	7.9
157.06552	2.2
157.10123	14.7
159.08046	3.2
159.11725	6.0
161.05989	7.1
161.09633	7.4
162.06763	4.5
163.07516	5.4
168.09477	2.0
169.10162	8.6
170.10941	4.0
171.08083	5.0
171.11713	22.3
173.06027	2.8
173.09624	6.6
174.06662	3.3
175.07561	6.1
176.08273	2.2
177.09106	20.2
179.08490	2.5
183.08122	2.1
183.11707	16.9
184.08752	2.0
185.09644	6.9
185.13297	12.1
187.11192	3.7
189.05408	2.0
189.09175	9.3
191.10696	6.7
195.11662	4.4
197.09605	3.4
197.13188	3.3
198.10530	2.3
199.11118	7.7
200.11885	2.2
201.09166	2.6
201.12813	2.5
203.06956	2.2
203.10683	1.9
205.08656	5.9
207.11711	4.2
209.09656	2.3
211.11243	4.4
213.09212	2.4
213.12747	17.4
215.10643	4.1
217.08498	4.1
217.12166	3.0
220.12474	2.4
223.01540	1.7
223.11069	2.9
229.12256	4.3
231.11758	3.2
231.13782	8.6
232.12375	3.5
233.13214	2.4
235.11076	2.3
235.14819	2.6
239.10661	2.3
241.12245	3.4
244.12424	2.8
245.13321	2.0
246.13861	2.6
247.14951	2.4
257.13318	3.2
259.13089	8.6
261.12643	2.3
271.14813	2.5
301.15881	4.2
309.11108	3.3
317.15103	2.8
327.17355	2.8
331.16873	4.1
343.16925	4.2
345.18341	3.0
347.16232	2.3
361.18033	3.1
373.17953	2.2
375.19394	3.3
385.18115	2.5
403.18970	5.8
405.20569	4.5
417.20676	3.1
421.19974	4.4
435.21490	6.2
478.13406	2.2
495.24289	9.5
555.25720	14.7
584.32587	2.6
630.05444	2.0
659.28235	10.2
677.29565	100.0
678.29376	3.9
712.34912	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	712.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.1
55.01870	8.1
55.05506	15.7
56.05029	11.3
67.05493	15.3
69.03422	15.6
69.07056	7.0
71.55720	5.6
73.32400	3.9
79.05499	15.4
80.05006	11.9
81.03428	5.7
81.07043	17.7
82.06573	5.3
83.01356	7.5
83.04980	32.6
86.06061	5.7
91.05491	29.3
93.07043	21.6
95.04955	9.5
95.08620	8.1
96.92037	3.8
98.06039	11.6
102.05518	6.3
103.05493	26.1
105.03384	17.8
105.07042	29.4
107.08576	14.2
108.04499	38.7
109.06523	7.1
109.10124	7.3
110.06058	4.9
115.05473	7.5
117.07021	26.3
119.08593	44.9
121.06521	8.4
121.10118	8.2
126.05531	51.4
128.06204	11.9
129.06979	16.6
130.07744	5.3
131.04932	54.2
131.08571	23.6
132.05243	5.4
133.06500	8.4
133.10129	32.8
135.08028	5.6
141.07027	5.4
142.07767	13.8
143.08574	32.4
145.06497	18.1
145.10124	22.7
147.08069	19.8
147.11676	5.2
149.09645	9.3
152.07031	4.9
154.05014	15.8
155.08554	16.3
156.09341	22.7
157.10132	47.0
157.79964	4.6
158.09593	4.6
159.08076	19.9
159.11655	11.9
160.11179	8.9
161.09679	24.8
163.11189	7.3
165.07150	4.1
169.10143	25.3
170.10954	22.5
171.08064	16.3
171.11687	65.1
172.08791	6.6
173.09622	17.6
173.13203	7.0
179.08690	5.5
181.10097	14.5
183.08093	12.5
183.11725	64.2
184.08810	7.1
184.53203	4.5
185.09637	16.4
185.13280	74.0
186.09157	14.3
187.11186	11.8
187.14804	4.2
188.10715	100.0
188.12206	3.4
191.08685	5.0
192.09334	6.2
193.10141	9.4
194.10953	5.2
195.08092	4.3
195.11679	18.1
195.13290	4.6
197.09630	11.3
197.13260	12.8
198.10469	10.8
199.07687	4.6
199.11179	51.9
200.10693	8.7
202.12308	22.0
203.10721	5.7
204.10207	8.5
205.12248	6.1
207.11711	13.0
209.09630	9.2
209.13290	9.2
211.11156	22.3
212.10828	4.9
213.12744	98.9
214.08627	11.4
214.12981	6.8
216.10075	13.7
217.12210	4.3
218.10867	6.9
219.11725	9.9
220.12422	7.7
221.09639	4.3
221.13300	14.2
222.10458	5.5
223.11278	9.9
223.14977	6.2
225.12733	7.2
226.12267	7.4
229.10075	6.5
231.11852	7.8
231.13751	6.4
232.09683	9.9
233.09662	5.1
233.13303	12.7
234.11295	54.9
234.13553	4.7
235.11377	6.3
235.14777	9.4
236.12024	8.4
237.12637	7.1
238.12209	9.0
239.10710	6.2
240.13683	4.9
241.12320	6.7
243.11597	10.6
243.13838	7.5
244.09769	5.3
245.13229	14.3
245.15404	31.6
246.11266	7.4
246.13968	8.3
247.11159	8.7
247.14793	12.7
248.12376	6.8
249.12759	6.5
249.16400	9.4
250.10013	4.6
251.14357	6.9
255.13748	7.5
256.13010	5.5
257.13281	8.4
258.13919	7.7
259.15045	28.0
260.09256	8.6
260.12094	7.1
260.15594	11.8
261.12811	12.9
261.16400	7.8
262.10767	9.7
262.13309	5.8
263.14243	10.0
266.11902	5.9
268.13086	9.3
269.13278	9.2
271.14734	7.7
273.14597	28.3
275.14316	11.0
276.14926	6.1
277.15808	9.3
280.13162	6.6
281.13171	5.2
284.12573	8.3
284.15491	9.9
285.16422	10.9
286.13556	9.5
287.14438	20.3
289.15848	4.1
291.17325	7.3
294.14502	4.5
297.16150	7.7
301.15875	18.8
301.19089	4.6
302.16690	11.1
303.17596	4.8
313.15933	5.0
313.19489	7.0
315.13974	4.6
319.16895	6.2
326.13852	10.1
331.16800	5.3
333.17703	5.3
354.18417	5.3
368.20154	8.2
373.17749	5.2
382.21457	6.5
386.21149	6.7
400.22852	8.7
407.18445	5.8
410.21115	16.4
414.20618	17.7
416.18457	8.5
418.23914	5.6
428.22314	32.3
432.21881	6.6
442.23773	5.9
444.21902	14.0
446.23029	22.9
456.21582	46.7
460.24722	10.3
474.22662	74.7
475.87476	5.0
476.24408	9.1
478.25772	8.3
488.24289	39.4
492.23108	5.6
506.25430	37.7
524.25604	7.9
530.90039	4.5
534.24933	47.0
542.25201	7.1
552.25952	8.8
566.27582	33.1
594.26648	26.5
598.29938	24.3
626.29333	5.1
638.29694	5.1
662.29810	19.6
680.30640	58.7
694.30939	39.7
710.35760	5.4
712.29968	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	712.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01563	1.5
51.02371	3.5
53.03949	9.1
55.01862	3.2
55.05502	10.6
67.05499	6.9
68.07322	1.6
69.03411	3.0
69.07066	2.3
70.06571	2.3
72.08155	17.1
77.03928	3.1
79.05497	8.2
81.03423	2.7
81.07059	6.4
83.04987	13.6
88.63068	1.7
91.05497	16.7
93.07061	9.3
95.04980	12.6
95.08613	4.3
97.06510	1.9
98.20744	5.4
103.05480	25.8
103.09620	1.7
105.03392	100.0
105.04536	5.4
105.07030	17.1
106.03761	1.9
107.04925	2.2
107.08600	8.7
108.04503	1.7
109.06496	4.2
109.10165	2.4
115.05463	6.7
117.07005	20.1
119.08575	19.6
121.06511	4.3
121.10129	3.7
123.08089	1.7
125.62890	1.6
128.06204	6.0
129.07022	5.4
130.07808	1.7
131.04935	47.8
131.08566	12.0
132.05254	3.7
133.06485	7.4
133.10118	10.8
135.08083	6.2
141.06982	4.1
142.07764	6.7
143.04872	2.0
143.08545	11.0
145.06496	13.2
145.10118	11.8
147.08064	7.7
149.09639	4.9
153.06952	2.3
155.08546	8.0
156.09352	7.9
157.06499	2.9
157.10130	17.3
159.08060	7.5
159.11696	7.0
161.05977	10.1
161.09578	9.2
163.07582	7.4
165.09192	1.9
167.08597	3.0
168.09280	2.0
169.10117	14.5
170.10904	5.9
171.08014	7.0
171.11694	34.8
173.06004	9.6
173.09630	10.3
173.13298	2.5
175.07547	4.2
176.60974	1.9
177.09163	13.6
179.08542	3.3
180.09438	2.0
181.10114	5.3
183.08061	5.1
183.11699	32.9
184.12219	2.4
185.09619	8.1
185.13261	16.9
187.07576	2.7
187.11151	5.4
189.05475	4.3
189.09119	7.5
189.12738	1.9
191.07069	2.3
191.10712	2.4
192.09468	1.8
193.10199	2.5
195.08090	1.8
195.11691	8.1
196.08916	2.1
197.09647	6.2
197.13368	3.0
198.10635	2.4
199.11209	13.6
201.09152	2.5
201.12738	5.2
203.10745	2.0
205.08519	2.9
207.11664	5.7
209.09618	2.0
209.13239	3.0
211.11148	6.8
211.14723	1.7
213.09145	5.4
213.12755	18.4
215.10704	3.6
216.09375	2.2
217.08490	2.4
219.11769	4.6
220.12398	2.1
221.13341	5.4
223.11258	4.4
223.14839	4.0
225.09158	2.6
227.10710	2.7
229.12236	5.8
229.69505	2.2
230.10841	2.4
230.15280	2.4
231.11742	4.5
231.13657	11.6
233.13219	6.0
233.15291	2.1
235.11142	2.3
235.14848	2.8
237.12825	2.5
239.10733	1.9
239.14326	2.2
241.12254	5.1
243.11786	3.9
243.13863	2.8
244.12389	3.2
245.13382	4.7
245.15485	2.7
246.13924	2.6
247.11133	2.7
247.14944	4.0
248.15457	3.4
249.12851	3.0
251.14180	2.0
253.09903	2.4
255.11688	2.5
255.14064	2.1
256.12433	2.7
257.13379	3.0
258.10544	2.6
258.14099	2.5
259.13293	6.4
259.15121	3.2
260.15533	2.9
261.16437	2.1
263.14383	3.2
265.15808	1.8
269.13245	3.4
270.13962	2.8
271.11124	3.1
271.14825	3.6
272.11755	2.4
272.15433	3.5
273.12643	2.8
273.15915	1.6
274.13538	1.7
274.17264	2.4
275.14374	3.4
277.15906	2.5
283.14774	3.9
285.12811	3.6
285.16272	4.6
286.13522	2.7
287.14224	7.3
287.18008	2.5
289.15936	2.7
290.16647	2.2
297.16708	2.1
299.10962	2.1
299.14413	4.5
301.15814	4.8
302.16504	4.0
303.13766	3.0
309.12585	2.3
311.14374	4.0
313.16083	5.1
315.17419	5.5
319.16736	3.5
325.15753	3.2
327.17331	2.3
329.15393	3.6
329.19049	3.5
331.16864	6.2
333.15134	2.1
333.18781	3.6
339.17587	2.3
343.17035	8.0
344.17505	3.5
345.14853	3.1
345.75293	2.2
347.20148	2.7
355.16754	2.6
357.14545	1.9
357.18500	7.9
359.16104	3.0
361.18146	6.0
373.18008	6.5
375.19550	12.9
385.17984	11.0
389.17361	2.9
391.18909	5.5
393.20435	3.6
403.19012	33.5
405.20688	2.9
421.20209	18.8
425.19791	2.8
435.22266	3.4
439.20987	2.3
463.21130	12.4
481.21985	5.8
495.23871	3.1
499.22894	3.0
523.23291	4.2
525.22876	2.5
541.24097	2.9
555.25409	4.7
566.31256	2.8
584.31055	2.3
585.24738	3.2
603.25909	3.3
612.31177	5.0
627.26794	3.0
628.13812	2.0
645.26770	19.6
659.28040	5.4
663.28015	3.3
677.29590	22.9
678.30682	2.2
694.35754	3.1
712.37299	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	712.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.8
55.05510	65.1
56.05032	18.2
67.05498	10.1
69.03416	8.1
69.07063	4.4
70.80300	6.8
73.02910	4.0
73.76800	3.3
79.05487	12.2
80.05016	6.1
81.03455	3.2
81.07057	14.2
83.01351	6.3
83.04982	81.7
91.05499	23.5
93.07050	15.3
95.04948	10.5
95.08603	10.7
97.06549	5.4
98.06062	5.1
102.05551	4.2
105.07033	23.9
105.10271	3.1
107.04974	4.1
107.08575	11.2
108.04482	40.8
109.10133	4.5
110.06050	4.7
115.05459	5.8
117.07058	18.5
119.08570	38.5
121.06528	8.0
121.10165	6.6
125.00032	3.8
126.05526	41.1
128.06221	6.8
129.07014	11.8
131.04944	7.7
131.08575	15.7
132.08098	3.9
133.06464	5.2
133.10158	26.4
135.08066	6.4
141.06981	6.6
142.07765	6.4
143.07550	5.6
143.08525	25.5
144.08107	3.4
145.06476	13.0
145.10129	19.1
147.08063	20.6
147.11687	4.6
149.09599	6.7
152.06082	4.1
154.04990	13.5
155.08571	12.5
156.09357	15.9
157.06450	5.7
157.10150	31.2
158.09593	6.0
159.08057	11.8
159.11673	16.8
160.11201	7.0
161.05968	5.7
161.09613	11.6
163.11147	4.8
165.64211	3.3
167.08569	7.4
169.06471	5.1
169.10149	17.3
170.10876	13.4
171.08049	11.1
171.11684	53.0
172.08839	5.1
173.09633	21.1
173.13264	7.9
174.09081	4.4
179.08611	5.7
181.10127	8.8
183.08051	8.8
183.11713	44.6
184.07318	8.5
184.08784	5.4
184.12207	3.5
185.09656	11.5
185.13274	29.9
186.09146	14.8
187.11203	8.2
187.14815	3.7
188.10692	74.9
193.10078	10.5
194.10902	6.7
195.08049	3.9
195.11700	11.2
197.09654	7.8
197.13342	10.0
198.10446	7.6
199.11217	36.2
200.10593	7.9
202.12305	11.2
206.10779	5.0
207.11729	11.1
209.09666	4.6
209.13246	6.2
211.11197	13.2
213.12758	47.8
214.08636	30.1
215.10750	5.5
216.10265	6.1
217.10225	5.6
217.12164	5.6
218.10979	4.3
219.11751	9.6
220.12546	7.2
221.09723	5.5
221.13300	14.2
223.11206	12.3
223.14786	7.1
228.10066	3.5
229.10159	5.7
229.12202	6.0
230.10965	6.2
231.11703	9.7
231.13818	13.9
232.09731	6.6
232.12459	9.4
233.09695	5.5
233.13263	13.3
234.11272	34.3
234.13528	5.3
235.11232	8.2
235.14883	7.8
237.12868	8.2
238.12181	7.3
241.12296	5.3
243.11774	7.8
244.12476	9.9
245.13184	13.7
245.15457	4.1
246.10756	3.8
246.14011	5.8
247.11185	5.4
247.14943	17.7
248.12750	5.6
248.15373	4.2
249.12778	6.2
249.16391	5.3
251.14374	4.8
253.12358	3.6
254.11635	4.0
257.13577	4.6
258.13879	4.9
259.11023	8.4
259.14932	12.9
260.09167	12.9
260.11752	4.3
260.15491	4.7
261.12628	7.8
261.16574	7.9
262.10837	4.0
262.13342	7.4
263.14243	5.9
263.17941	6.5
265.12253	5.1
265.16013	4.6
266.11700	4.4
268.13147	4.6
271.14777	6.5
272.12225	6.3
272.15540	5.8
273.12698	6.5
273.16385	6.2
275.14410	6.6
275.17932	8.5
277.15811	9.6
279.17352	5.1
284.12610	8.5
286.13937	5.0
287.14255	12.1
287.17630	4.1
289.15802	7.9
291.17303	7.8
293.15302	5.6
301.15762	12.8
302.16589	12.7
305.15314	6.3
313.19379	5.7
319.16873	13.7
321.18527	4.9
329.18805	5.0
343.16812	5.6
368.20145	8.4
372.23157	4.8
373.18094	4.3
379.19122	6.8
382.21713	7.4
384.23331	5.0
389.17352	3.8
395.18356	3.7
397.19928	5.2
398.21500	4.4
402.20551	5.0
410.21130	15.5
414.20471	14.0
421.19901	4.5
425.19397	4.9
428.22162	30.6
430.23926	8.1
434.23453	4.6
438.21008	4.7
439.21283	5.0
444.21735	11.9
446.23349	23.4
456.21661	38.6
464.23541	6.0
472.24597	3.4
474.22757	71.1
475.23557	4.6
485.21753	7.6
492.23846	28.9
506.25055	11.8
510.25290	4.9
516.23810	4.8
524.26239	5.8
534.24841	47.1
552.25787	24.2
566.27570	100.0
584.28662	77.7
594.26917	51.6
612.28033	87.9
613.28119	4.8
616.28931	3.9
663.30225	4.5
676.30731	5.0
677.31659	5.6
694.32312	36.4
712.33563	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	712.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
54.32503	2.3
55.01871	5.4
55.05503	17.8
63.20244	2.7
67.05511	23.6
68.05040	2.8
69.03429	22.0
69.07070	7.7
70.06593	33.7
71.04992	3.7
79.05489	18.3
81.03416	12.3
81.07069	14.9
82.02940	21.4
83.04994	18.3
83.08606	3.0
85.02907	4.0
86.06062	29.3
86.09725	3.9
87.04479	17.2
91.05470	28.5
91.55019	2.5
93.07045	22.8
94.06609	3.7
95.04948	14.0
95.08603	15.1
96.04543	2.8
96.08118	4.9
98.06056	100.0
103.05473	5.9
105.03376	5.9
105.07036	27.1
107.04939	5.3
107.08602	13.7
108.08102	3.6
109.06522	8.2
109.10149	11.5
115.05462	10.2
116.07099	4.7
117.07015	40.3
119.04963	3.1
119.08585	44.7
121.06503	10.7
121.10149	9.0
122.06010	17.5
123.08118	5.7
124.07616	8.6
128.06195	6.9
129.06989	15.7
130.07848	3.1
131.04913	8.2
131.08595	21.6
133.06464	8.6
133.10124	26.3
135.08031	8.4
137.05872	2.7
137.09589	4.8
140.07033	2.6
141.07022	6.1
142.07779	7.6
143.04919	7.8
143.08556	23.3
144.06584	5.9
145.06483	22.9
145.10150	16.0
147.08052	17.1
147.11700	5.4
149.09604	9.8
150.05531	21.5
153.06978	5.1
155.08560	10.7
156.09389	16.8
157.06505	7.9
157.10124	30.4
158.07262	3.6
159.04581	3.4
159.08109	12.6
159.11664	13.8
161.09642	12.5
163.11220	3.5
165.06956	3.7
166.07722	3.5
167.08565	11.4
168.06581	23.0
168.09303	3.7
169.06599	3.2
169.10091	15.6
170.10930	12.3
171.04300	3.0
171.08049	8.5
171.11693	40.3
172.08864	2.9
173.05873	3.0
173.09601	16.5
173.13235	6.6
175.11198	6.5
177.09145	4.7
179.08496	5.4
180.09335	5.0
181.10123	7.7
182.10855	3.6
183.08061	11.1
183.11676	39.5
184.07359	6.3
184.08850	5.9
185.09628	9.2
185.13249	28.4
187.11197	7.5
187.14854	4.0
191.08572	3.3
191.10689	3.4
193.10190	8.6
193.12236	3.2
195.08098	7.8
195.11693	8.3
196.08836	3.6
197.09618	16.8
197.13177	7.5
198.10403	6.5
199.11209	33.6
200.10696	11.2
201.12833	4.1
202.07870	3.2
202.12300	13.1
203.10513	3.3
205.10155	6.0
206.10907	4.7
207.11720	10.9
209.09666	10.9
209.13306	5.5
211.07710	3.8
211.11247	16.9
211.14972	3.5
213.12732	49.9
214.12331	4.6
216.13840	3.4
217.10185	6.7
219.11708	7.4
220.12309	4.3
221.09767	3.4
221.13219	9.5
222.13838	3.9
223.07571	3.0
223.11142	7.7
225.09140	5.7
225.12657	4.6
228.10220	11.3
229.06355	3.2
229.10139	5.3
229.12257	5.8
230.11908	16.2
231.11674	10.8
231.13861	10.6
232.12404	4.5
233.09616	4.3
233.13245	12.2
234.14023	5.3
235.11185	6.8
235.14728	7.3
237.12737	7.1
237.16293	5.2
241.12225	3.0
243.11646	8.5
243.13834	4.7
244.12592	12.0
245.13396	12.8
246.10521	6.4
246.13933	6.9
247.11079	7.6
247.14885	12.4
248.12898	27.7
248.15268	4.5
249.12769	8.0
249.16495	3.2
251.14365	6.5
253.12387	3.0
255.11652	4.6
256.09680	9.1
256.12341	5.7
257.13239	9.7
258.11395	3.2
258.14075	7.9
259.11032	6.0
259.14807	13.3
260.12207	4.6
260.15582	4.8
261.12805	11.9
261.16342	9.5
262.13739	11.9
263.14291	7.9
263.17990	3.9
265.12286	6.0
265.15726	3.1
267.11642	4.2
267.16110	3.1
268.12772	4.6
269.13217	5.8
270.14001	4.4
271.11212	5.1
271.14792	6.6
272.12115	6.5
272.15491	2.9
273.12692	10.3
273.16324	11.1
274.10654	11.9
274.13361	4.9
275.14172	6.5
275.17813	5.5
276.18375	3.7
277.15839	7.3
279.13828	3.6
283.11371	4.5
283.14801	8.8
284.15598	5.2
285.12775	6.3
285.16275	7.5
286.13638	6.4
287.14325	13.4
287.17804	5.5
288.14929	3.2
289.15851	7.4
291.14398	3.0
291.17441	13.5
296.15695	3.7
297.16312	5.3
298.14072	3.2
299.14233	6.7
299.17776	4.5
301.12515	4.0
301.15848	17.2
302.16620	8.5
303.13846	3.2
303.17194	4.8
305.15228	4.6
307.17114	5.6
309.12778	5.4
311.17783	4.9
313.15845	6.3
313.19336	3.9
313.84058	2.7
315.14059	3.5
315.17328	14.0
319.17010	12.8
320.17645	3.8
324.15271	4.3
326.13599	3.1
327.13809	4.2
327.17490	6.8
329.19003	8.8
333.18674	3.8
337.18069	4.0
339.17133	12.3
341.15283	3.1
341.19092	9.5
343.16946	7.7
347.16391	3.7
351.19498	4.0
355.16809	3.3
357.18323	12.5
359.19974	3.3
361.17813	8.1
367.16620	4.1
371.16208	3.2
379.18872	6.5
385.17722	4.4
389.17297	4.8
393.20581	4.4
403.19049	5.8
407.18280	7.1
421.19955	4.1
421.25787	4.6
424.22375	4.4
425.19620	4.6
428.22601	5.1
430.19638	5.5
431.18726	2.9
439.21170	6.2
440.21814	3.4
442.23761	9.3
444.25693	3.9
447.27438	31.8
452.22058	8.8
457.21997	3.2
458.23154	8.8
460.24640	11.4
470.23264	50.8
473.22433	3.5
476.24579	3.5
485.21521	6.8
488.24271	61.7
489.24310	3.7
503.22528	3.8
506.25525	21.2
530.25238	10.4
545.27216	3.9
548.26434	47.4
556.27026	5.7
566.27405	20.6
580.29114	3.4
584.28735	5.7
594.29767	4.4
608.28467	36.1
616.28284	3.8
626.29309	4.8
634.29852	11.1
652.31146	18.4
670.30774	5.2
676.31000	22.0
677.31696	6.5
694.32257	100.0
712.33844	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	712.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	3.1
53.03940	6.0
54.67723	2.5
55.01865	5.7
55.05268	4.3
55.05515	61.6
61.02919	3.5
67.05497	11.9
69.03423	7.1
69.07042	3.2
70.06617	2.9
71.04994	4.6
71.55556	3.0
79.05505	13.5
81.03410	8.2
81.07069	17.5
82.06584	4.2
83.01357	4.9
83.04987	100.0
83.08637	3.4
85.02887	3.1
85.06548	3.4
91.05485	24.9
93.07042	16.4
95.04961	12.7
95.08616	14.7
96.04453	4.5
97.06560	3.9
98.06082	5.3
103.05472	21.2
105.03397	22.9
105.04519	3.5
105.07037	26.0
107.04987	4.4
107.08609	13.7
108.04497	5.8
109.06511	5.9
109.10168	7.7
110.06043	5.8
112.03995	11.1
115.05482	8.5
116.06277	4.8
117.06271	4.5
117.07008	23.0
119.04990	3.6
119.08590	35.1
121.06478	5.2
121.10168	10.7
122.01618	3.1
122.06027	4.2
123.08031	4.8
125.09686	2.9
126.05506	6.9
128.06229	8.1
129.06989	15.1
131.04947	45.2
131.08574	24.4
133.06500	10.5
133.10114	21.6
135.08081	4.6
140.03421	5.8
142.07814	10.1
143.08591	24.1
145.06506	24.5
145.09088	4.3
145.10129	22.2
146.09648	9.1
147.08066	12.5
147.11714	4.2
148.07558	2.8
149.09612	10.5
153.06958	3.9
155.08540	10.5
156.09319	18.0
157.06570	3.3
157.10107	38.1
159.08080	10.8
159.11734	14.8
160.07744	2.8
160.11180	8.2
161.06029	4.2
161.09619	13.9
162.09097	3.8
163.11166	5.3
165.07016	4.6
165.09129	3.2
166.07858	4.7
167.08595	8.0
169.10136	17.6
170.10896	10.8
171.08049	11.5
171.11691	58.1
172.07558	4.5
172.08887	4.8
173.09697	13.4
173.13293	5.0
174.09145	22.7
175.07565	2.9
175.11235	7.0
177.05496	4.1
179.08524	4.4
179.10680	3.2
181.10138	6.7
183.08067	7.9
183.11711	49.7
184.08849	4.3
185.09621	13.3
185.13266	42.0
186.09132	9.0
187.07584	3.8
187.09760	4.4
187.11229	8.1
188.10712	33.5
189.09009	2.9
191.10641	3.5
193.10115	10.1
193.12053	3.3
194.10834	3.4
195.11694	8.1
197.09613	6.4
197.13290	12.4
199.11185	24.6
200.10583	4.6
200.12183	3.9
201.09171	3.7
201.12755	7.7
202.12230	7.5
205.10202	6.7
206.11038	2.9
207.11697	7.8
208.12257	3.5
209.09625	7.3
209.13290	7.2
211.11288	15.1
213.12737	54.8
214.18088	4.7
215.10672	3.2
217.08511	3.8
217.10371	4.8
217.12292	6.8
218.08159	6.4
219.11768	5.1
220.09729	23.0
220.12524	5.3
221.13260	9.5
223.11179	7.6
225.12679	3.3
227.10649	5.4
229.12202	6.6
230.10986	5.4
231.11685	7.7
231.13823	11.9
232.09846	6.9
232.12367	6.9
233.13229	9.2
234.11192	12.4
234.13754	5.8
235.11183	4.0
235.14774	5.9
237.12839	6.0
237.16467	4.5
241.12334	6.5
242.10977	3.3
243.11649	4.2
243.13876	4.3
244.12621	7.9
245.13222	7.9
245.15428	14.7
246.07469	4.0
246.11324	5.7
246.13997	7.9
247.11201	7.1
247.14815	7.4
247.16975	3.1
248.09222	5.6
248.12524	3.2
249.12785	4.8
249.16466	3.1
250.09941	2.7
255.11629	3.4
255.13930	3.7
256.12573	5.3
257.13333	5.3
258.11282	4.6
258.13965	7.3
259.14801	11.2
260.12573	2.9
260.15454	5.7
261.12756	5.1
261.16446	3.5
262.10806	4.4
263.14352	4.0
263.17822	4.2
265.15701	3.4
267.11572	4.0
269.13229	5.2
270.11029	3.9
270.13824	3.6
271.14948	3.4
272.15619	4.2
273.14981	11.6
275.14386	6.8
275.17679	3.6
277.16046	4.6
279.17496	4.3
283.14835	6.8
284.15533	4.3
285.16251	6.2
287.14429	5.7
287.18103	3.1
289.15845	5.9
291.17395	4.3
299.14188	4.1
299.17825	3.5
301.15848	9.4
302.16577	6.9
303.17526	3.3
319.16959	6.3
333.17221	3.6
337.18002	6.4
339.17117	4.2
356.20444	3.0
361.18387	3.3
386.21429	4.0
391.19092	3.0
400.19028	5.1
414.20834	15.6
428.21973	5.4
430.20435	3.4
432.21503	10.2
442.19980	11.4
446.23352	14.6
451.21115	4.0
460.21112	15.9
464.24387	10.0
474.22824	20.7
482.61603	3.3
492.24036	22.6
506.25427	6.9
510.25089	9.0
520.23035	9.2
524.26190	8.0
542.26233	6.4
552.25806	11.6
554.46417	3.1
566.27399	7.3
570.27026	6.6
580.25146	8.4
584.28564	87.6
594.26709	3.3
602.29669	19.5
612.27991	36.2
680.29639	6.0
694.31958	6.0
712.33600	47.8
713.32861	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	712.334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63439	2.6
53.03938	5.7
55.05516	79.2
56.05832	3.8
57.44116	2.6
63.68753	2.5
65.57379	2.6
67.05494	5.6
70.79703	9.5
79.05489	6.4
81.07038	3.8
83.04987	100.0
84.04507	12.5
91.05470	14.0
93.07039	9.6
95.04989	6.8
95.08569	5.5
103.05453	11.3
105.07028	20.1
107.08594	7.0
108.82364	2.7
115.05421	4.0
117.07030	11.0
119.04929	3.7
119.08596	20.8
120.08920	3.7
121.06503	5.6
121.10138	5.6
128.06216	5.6
129.07002	8.3
131.04941	20.3
131.08597	15.6
132.05263	4.5
132.08101	3.6
133.06473	7.6
133.10095	13.8
133.96773	3.1
135.08047	6.6
142.07784	8.6
143.08594	15.6
144.08983	3.2
145.06482	12.2
145.10112	14.3
147.08043	8.1
149.09612	8.7
155.08534	7.4
156.09341	8.6
157.10118	19.2
159.08080	8.3
159.11679	8.6
160.07556	2.9
161.06029	12.0
161.09660	4.6
163.11163	3.9
165.06961	4.5
167.08615	4.1
169.10162	15.9
170.10939	8.0
171.08046	12.1
171.11708	32.4
172.12155	4.5
173.09631	12.2
175.07574	4.0
175.11305	3.0
177.09181	3.6
179.08472	3.5
181.10075	6.7
183.08046	6.2
183.11700	30.8
184.08823	3.0
184.12163	5.0
185.09610	7.9
185.13278	32.0
187.11246	6.6
189.05455	3.5
193.10175	7.0
194.10696	3.1
195.11728	7.6
197.09628	8.3
197.13234	6.1
199.11188	11.6
200.11745	4.7
201.09157	3.0
201.12827	4.1
205.12395	3.9
207.11696	6.0
211.07588	3.2
211.11208	12.8
213.09187	3.0
213.12759	47.6
214.13058	9.1
215.10785	5.2
219.11684	3.2
220.09682	5.1
221.13359	7.1
225.09007	3.5
229.10120	5.8
229.12180	4.5
231.09932	4.2
232.12468	4.3
233.13309	3.9
235.11200	3.6
243.13889	8.8
245.13284	4.6
245.15367	16.5
246.13925	4.1
247.14873	7.2
249.12822	3.6
249.16315	4.0
257.11600	3.8
258.14288	4.6
259.14883	7.4
260.15515	3.0
261.16464	3.7
270.13873	4.7
271.14914	4.0
273.14740	20.5
275.14240	4.5
285.15948	3.5
287.10715	3.8
287.14185	3.2
289.15665	3.7
300.14844	3.2
303.17371	4.1
313.15829	8.3
316.14313	3.6
317.15216	7.0
317.18604	3.6
319.16971	5.5
321.18753	3.7
331.17087	7.0
341.15417	3.8
345.18570	4.3
349.18005	4.5
357.18436	3.5
359.16422	8.2
360.16772	4.4
373.18243	5.5
374.17993	5.1
377.17606	8.9
391.19034	7.9
393.00131	3.4
400.19043	3.9
401.17532	4.9
402.17471	3.8
405.20428	3.6
409.20038	14.9
415.19009	3.5
418.20087	4.1
419.19135	3.1
432.21915	5.3
433.20062	4.9
434.20532	6.8
451.21130	4.3
452.21442	5.6
464.24655	3.2
469.22379	5.0
474.22769	4.2
492.23679	12.1
510.24896	5.4
529.24323	31.4
552.26068	3.7
553.24292	13.0
570.26379	3.1
584.29242	3.6
612.27454	5.2
654.29620	9.4
654.81262	2.8
668.32104	3.0
670.29498	10.6
680.30151	4.2
712.30933	79.1
713.36304	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	712.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.9
53.33230	2.9
55.01855	7.7
55.05515	22.2
67.05501	17.9
69.03423	5.7
69.07050	6.1
70.06585	4.7
71.99288	3.4
75.69738	3.7
79.05482	13.8
81.03400	14.3
81.07045	13.1
83.04962	14.1
91.05471	22.7
93.07047	14.5
95.04958	15.8
95.08607	7.8
97.02915	4.5
98.06014	3.6
103.05470	32.3
105.03397	44.8
105.07040	37.1
107.04951	9.7
107.08559	10.5
108.08888	3.2
109.06520	6.7
111.04486	4.2
115.05434	8.6
117.07014	14.6
119.04906	4.6
119.08581	24.4
121.06500	9.3
121.10131	3.8
128.06201	8.5
129.06982	12.6
131.04945	52.3
131.08522	17.5
132.05284	7.8
133.06485	19.3
133.10127	10.8
135.08066	8.0
136.08426	3.4
139.03897	4.8
141.06961	5.5
142.07803	7.7
143.08578	21.0
145.06473	13.8
145.10115	11.0
147.08028	16.2
149.05939	4.5
149.09584	9.8
151.07533	4.4
153.07025	4.6
155.08516	11.4
156.09306	12.3
157.06467	5.0
157.10115	24.7
159.08054	22.3
159.11690	10.5
161.05992	41.6
161.09479	4.9
163.07539	5.4
165.06984	4.9
165.09073	4.7
166.07750	5.2
169.10103	11.5
170.10669	6.9
171.08026	12.9
171.11699	26.7
173.05971	4.8
173.09624	11.5
173.13274	4.5
175.07568	7.1
175.11130	6.5
177.09140	5.4
179.07028	12.4
181.10117	9.2
183.08012	4.7
183.11722	27.0
184.12094	8.4
185.09625	12.1
185.13254	13.4
187.07629	5.9
187.11168	8.8
189.09129	7.1
193.10124	3.8
195.11653	10.2
197.09590	10.9
198.10408	5.0
199.07458	5.7
199.11166	34.5
200.11905	4.8
201.09070	8.4
201.12781	16.3
207.11591	5.0
211.07529	4.3
211.11086	7.8
213.05434	4.0
213.09203	8.1
213.12708	13.2
214.13029	5.9
215.10645	5.8
217.08524	6.5
217.12096	4.7
219.11838	4.5
221.09657	4.8
221.13176	9.3
223.11374	5.2
223.14833	5.2
225.09143	9.1
227.10689	30.4
229.12238	13.1
231.11652	7.3
231.13751	7.1
233.13060	6.6
235.11162	6.0
237.16217	4.0
239.10629	4.5
241.12129	7.9
243.10178	5.8
243.13974	4.4
244.12192	4.2
245.08049	25.3
247.14786	9.5
248.15329	4.3
249.12730	3.7
249.16476	3.7
262.16888	3.8
263.14313	4.4
267.16080	4.2
270.13919	3.6
285.16013	4.9
287.12802	41.2
287.17813	3.6
291.17197	4.4
303.12250	7.4
317.15433	4.5
319.15933	5.6
331.16827	4.3
343.16608	6.0
345.18497	4.7
347.15411	8.0
349.17746	4.9
373.18036	4.6
387.15988	6.1
389.17352	8.0
403.19080	8.1
405.15695	6.4
406.16272	4.0
407.17020	100.0
421.20187	4.1
423.16333	18.6
437.19788	5.0
439.20776	5.8
447.17816	11.6
461.17892	8.2
465.19183	20.9
479.19031	10.6
483.20120	8.9
499.23053	5.3
567.22296	16.2
573.23212	4.0
585.23303	31.1
603.24121	15.7
635.26569	8.0
677.29999	18.6
712.35571	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	711.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
55.05514	23.3
56.05032	1.9
57.03457	0.9
61.39620	0.8
67.05514	3.3
68.05022	1.3
69.03436	1.8
69.07078	2.4
70.06599	15.6
71.04987	1.1
71.55143	1.4
72.08159	16.1
74.09705	0.8
80.05023	1.2
81.03435	3.1
81.07068	5.6
82.02961	2.2
82.06579	2.4
83.04986	32.2
83.08624	1.0
84.04530	1.2
84.08146	18.4
85.02903	1.2
85.06541	1.4
86.09724	1.0
91.05505	5.0
93.07046	4.1
95.04979	3.0
95.08620	2.1
96.04501	1.8
97.02930	1.3
97.06577	1.4
98.06054	1.5
104.07143	1.1
105.07041	6.6
106.06524	1.3
107.04961	1.3
107.08618	3.9
108.04500	1.3
108.08130	3.6
108.22982	0.8
109.06525	0.9
109.10176	1.3
115.05477	1.6
117.07052	2.6
118.06508	1.9
119.04952	1.2
119.08592	7.5
120.08912	0.9
121.06545	1.1
121.10189	2.7
123.04478	0.9
123.11780	1.1
127.03918	1.1
129.07019	2.7
131.05011	1.0
131.08597	4.8
133.06555	1.0
133.10138	7.5
134.09570	1.0
135.08151	1.7
135.09203	2.1
135.11716	0.8
136.07574	13.3
136.08510	1.1
136.09985	2.0
137.06068	1.0
137.08469	1.3
137.09673	1.3
138.09167	3.0
142.07813	2.4
143.08548	4.0
145.06552	2.7
145.10182	3.9
146.09680	1.6
147.08115	3.2
147.11708	1.6
148.07568	1.2
149.09656	1.9
151.07625	1.6
151.08711	1.7
153.10272	6.0
154.11049	1.4
154.12321	1.3
155.08583	2.5
156.09389	2.8
157.10123	6.2
159.08107	3.5
159.10472	0.9
159.11749	3.1
160.07549	0.9
161.06038	1.9
161.09654	3.5
161.13344	1.2
162.09212	2.3
164.10744	2.1
165.09166	1.2
167.08582	1.8
169.10216	2.3
170.10922	2.8
171.08078	3.0
171.11711	8.6
172.07579	1.2
173.09694	2.9
173.13333	2.0
174.09229	2.6
175.11206	1.2
177.05528	0.9
181.10210	1.5
183.08060	1.0
183.11708	5.2
184.07397	2.0
184.08913	1.5
185.09560	2.1
185.13292	7.3
187.11234	1.4
190.12244	0.9
193.10150	1.6
195.11781	2.8
197.09631	2.0
197.13306	2.1
198.10378	1.6
199.11205	7.5
201.09200	1.0
202.12306	0.8
206.10999	0.9
207.11885	1.9
209.09792	1.5
209.13254	1.1
211.11282	3.2
213.12706	9.6
214.12271	4.6
215.10774	1.0
215.12959	1.2
216.13852	12.0
217.08678	2.1
217.12128	1.1
220.12425	1.2
221.09932	1.0
221.13326	1.3
223.11256	1.3
223.15178	0.9
226.12308	1.2
228.13940	2.1
229.12334	1.2
230.15486	1.9
231.11723	1.9
231.13715	1.5
233.09561	1.0
233.13321	2.3
233.16585	2.5
235.14717	1.7
237.16306	1.2
242.11880	2.1
242.15567	1.5
243.11893	1.0
244.12953	1.2
245.13329	2.1
246.14149	1.5
247.11392	1.0
247.14928	2.4
249.09082	1.2
249.12849	1.2
259.13306	1.7
259.15091	1.6
260.15851	1.5
261.12958	1.7
261.16324	2.1
263.18256	1.1
265.19272	0.9
273.16537	1.7
275.14334	2.4
275.17877	1.4
277.12482	0.9
277.15970	1.3
280.13071	1.0
281.13669	1.1
287.14435	2.4
287.17563	1.0
289.16089	3.2
290.16867	1.3
291.17480	2.9
301.15811	2.0
302.16629	0.9
303.17664	1.5
308.16641	1.2
313.19272	1.3
315.20645	4.0
316.26672	1.2
319.17062	2.4
321.18823	1.3
344.16455	0.8
359.16345	0.8
455.27521	1.1
456.25565	3.5
460.27713	1.8
473.28101	2.6
474.27127	1.0
478.29022	2.9
491.29327	1.8
515.29236	1.4
533.30273	3.4
534.28064	1.2
543.32654	1.0
551.31500	2.3
555.32281	1.3
565.32898	1.3
568.23096	1.0
573.33246	1.5
591.34546	1.4
593.32336	6.1
594.31281	2.7
598.23993	1.1
602.38477	0.8
611.33374	13.4
615.35455	1.3
633.35748	1.8
651.36011	1.3
658.25500	1.5
675.36298	1.9
676.36182	1.3
693.37482	41.5
694.37042	2.7
711.38684	100.0
712.38922	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	711.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.05515	65.8
67.05489	4.1
69.07072	1.4
79.05493	5.7
80.84768	1.2
81.07050	3.0
83.04987	100.0
91.05470	10.7
93.07057	5.4
95.04958	2.6
95.08617	2.0
97.06509	1.8
98.45147	1.3
103.05473	7.7
105.03419	1.5
105.07033	14.1
107.04975	1.5
107.08608	2.8
109.06539	1.6
109.10188	2.1
115.05456	4.0
116.06194	1.1
117.07026	5.6
119.04986	1.8
119.08582	11.2
121.06502	2.9
121.10130	2.0
128.06236	3.3
129.06999	3.4
131.04944	13.7
131.08563	7.7
131.57613	1.2
132.05258	3.6
133.06465	6.2
133.10126	7.8
135.08044	2.5
137.08620	1.1
137.09657	1.3
139.00389	1.1
141.06964	2.1
142.07759	3.3
143.08618	6.4
145.06476	4.9
145.10156	8.3
147.08041	6.8
149.05865	1.5
149.09607	2.3
151.07545	1.5
154.07846	1.2
155.08578	5.0
156.09341	7.2
157.06552	1.8
157.10133	10.6
159.04449	1.7
159.08058	5.2
159.11699	2.9
161.05965	8.7
161.09624	5.3
163.07541	3.6
163.11203	1.5
165.06992	1.7
165.09186	1.4
167.08601	2.5
169.10139	7.7
170.10846	5.7
171.08102	7.5
171.11699	22.1
172.08809	1.7
173.06004	2.5
173.09669	7.2
173.13292	1.5
174.08060	1.3
175.07581	5.3
175.11136	2.7
177.09114	2.4
179.06989	2.2
181.10147	3.7
183.08078	3.2
183.11702	16.1
184.08844	2.1
185.09628	6.5
185.13254	14.4
187.07539	2.7
187.11162	3.2
189.05479	2.2
189.09079	1.6
193.08594	3.6
193.10164	3.4
195.11685	4.0
197.09657	4.0
197.13283	4.2
198.10361	2.3
199.07599	1.9
199.11206	12.3
200.11966	2.3
201.09073	2.4
201.12773	3.0
203.07040	1.6
204.09184	1.4
206.10849	1.4
207.11731	3.8
209.09706	2.3
209.13347	1.3
211.07568	1.4
211.11153	5.0
213.09357	2.8
213.12753	25.3
215.08644	1.5
215.10605	1.3
217.10223	1.8
217.12160	1.9
218.10872	1.5
219.11700	2.3
221.13219	3.2
223.11243	1.9
225.09200	1.8
227.10617	2.1
229.12256	3.7
230.10805	1.6
231.11841	2.0
231.13777	2.8
235.14948	1.8
241.12233	4.5
243.11832	2.4
243.13792	3.9
244.12460	2.5
245.13335	2.0
245.15378	7.6
246.14005	2.0
247.11101	1.4
251.14264	1.6
253.08276	1.3
255.11633	2.8
255.13908	3.2
256.12363	1.7
257.13409	2.2
258.13995	1.6
259.13202	3.1
260.12051	1.5
260.15091	1.1
261.12717	2.0
262.84705	1.2
270.13934	2.7
271.15057	2.2
273.14706	5.7
274.40436	1.1
275.14609	1.6
283.11273	2.1
283.14691	2.2
284.15558	2.6
285.12778	2.5
285.16293	3.6
286.13641	1.7
287.14160	1.6
288.14932	1.1
299.14130	2.1
300.15073	1.8
301.12378	1.3
301.15884	3.0
303.13782	1.4
303.17285	2.0
311.14175	2.1
312.14969	1.4
313.15805	4.8
315.13751	1.8
315.17368	2.7
317.15298	1.5
317.18958	1.7
326.13144	2.1
327.13754	2.0
327.17355	5.1
329.15378	3.9
330.16278	1.5
331.16885	5.1
335.16306	1.4
341.15387	4.2
343.16830	2.9
345.18362	4.1
347.16461	1.6
347.20178	1.5
349.18024	2.4
355.16904	8.1
359.16354	7.3
361.18094	2.1
363.19617	2.6
369.77213	1.2
371.16254	2.0
373.17987	13.0
375.18652	1.2
377.17471	3.6
383.16333	3.5
387.19507	4.8
389.17307	1.2
391.19040	4.8
401.17529	10.6
403.18964	1.9
405.20566	5.3
408.18759	1.5
415.19095	6.8
419.18539	9.2
421.19849	1.5
423.21600	4.4
433.20181	20.0
437.20258	1.4
451.21219	13.2
479.20618	2.7
493.22211	4.7
510.21936	1.9
511.23438	3.7
528.22968	1.7
533.25116	2.5
551.26233	1.8
575.26855	2.7
593.27393	13.6
607.28882	12.0
608.74615	1.2
651.27881	13.0
658.26746	2.1
711.35632	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14083	0.9
53.03949	2.6
55.01895	1.1
55.05514	25.5
67.05491	3.7
69.03439	1.3
69.07064	1.6
69.86589	5.6
79.05488	3.7
81.07056	2.6
83.04988	44.1
91.05482	5.7
93.07043	2.4
95.04985	2.6
95.08625	2.2
103.05473	16.8
103.06535	1.1
104.05811	3.3
105.03379	1.7
105.07019	8.5
105.88313	1.1
107.04957	1.6
107.08614	2.3
109.06540	1.3
109.10191	1.4
111.08110	1.0
115.05491	2.1
117.07021	2.2
119.08602	6.6
121.06525	1.3
121.10112	1.4
123.08052	1.8
128.06206	1.0
129.07008	2.0
131.04938	29.1
131.08586	4.8
132.05293	6.0
133.06505	3.9
133.10147	3.4
135.08095	2.0
137.06081	1.2
143.08563	5.4
145.06499	2.5
145.10121	3.8
146.10454	1.2
147.08078	3.8
149.05988	1.5
149.09653	1.9
155.08554	2.5
156.09325	4.3
157.10139	8.7
159.08032	4.1
159.11691	3.4
160.08429	1.7
161.05978	4.1
161.09608	3.3
163.07501	1.5
165.07097	1.3
167.08629	1.4
168.09453	1.2
169.10149	4.2
171.08064	2.7
171.11635	8.6
173.05965	1.4
173.09631	2.9
175.07501	1.8
179.06900	1.4
179.08549	1.1
181.10141	2.2
182.10966	1.6
183.08113	2.0
183.11719	8.6
184.12177	1.1
185.09737	2.4
185.13300	8.5
187.07596	2.2
187.11127	1.3
189.05495	1.9
189.09105	1.2
193.10167	2.0
195.11789	2.5
197.09552	2.1
197.13289	1.2
198.10402	2.5
199.07498	1.7
199.11249	6.9
200.11813	1.2
201.12677	2.5
201.37596	1.3
207.11714	2.6
211.11145	3.8
213.12747	19.2
214.20906	1.1
215.10710	1.4
221.09618	1.5
223.11140	1.4
227.10692	1.3
229.12236	3.6
230.12672	1.8
231.10005	1.2
231.13834	3.3
235.11009	1.3
237.12750	1.5
241.12233	2.4
243.13870	2.7
245.13254	1.5
245.15414	2.6
259.13281	1.8
261.12665	1.6
269.13199	1.7
270.14053	1.7
272.11969	1.1
273.14551	6.5
274.13666	1.2
283.14471	1.1
288.14871	1.9
291.16049	2.2
303.17584	2.2
315.15738	3.3
317.18872	1.2
327.17374	1.3
329.15341	1.5
331.15564	3.3
343.16809	2.0
345.18680	1.5
346.17880	1.6
359.14301	5.9
361.18033	1.7
373.17792	3.2
375.17789	21.8
387.19617	1.5
389.17496	1.9
391.19098	2.4
401.17456	3.1
403.18771	1.4
405.20581	2.0
407.18594	1.7
408.19095	1.6
415.19446	2.0
419.18515	1.6
421.20178	1.3
422.20459	1.6
433.19977	7.3
451.21234	5.1
458.23178	1.3
479.20612	2.1
493.22250	3.5
510.21909	2.5
511.23215	2.2
528.22961	1.6
533.25208	2.6
593.27252	84.0
594.27216	3.9
607.28754	20.4
651.27802	100.0
652.27771	4.5
658.26483	2.3
711.37146	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23536	1.3
53.03943	4.3
55.01869	2.4
55.05518	61.5
57.21402	1.2
67.05496	4.2
68.71793	1.3
69.00739	1.4
69.03414	2.3
69.40649	1.3
70.78981	3.7
79.05498	5.9
81.07059	6.3
83.04990	100.0
84.05279	1.8
91.05489	13.9
93.07066	10.4
95.04970	5.9
95.08618	3.0
97.06536	2.7
103.05485	8.8
104.05847	1.7
105.03378	2.8
105.07053	14.8
107.04973	2.0
107.08596	5.3
109.06518	2.4
109.10148	2.1
115.05470	6.0
117.07036	6.9
119.04971	3.3
119.08595	17.7
121.06548	2.2
121.10169	3.6
128.06194	4.2
129.07004	8.3
130.07774	2.1
131.04948	16.7
131.08601	12.3
132.05353	1.7
133.06494	7.3
133.10141	14.8
135.08069	3.5
135.32445	1.3
141.06987	3.0
142.07817	8.3
143.08562	13.1
145.06558	7.6
145.10149	10.0
147.08138	8.9
149.09630	6.0
149.58923	1.7
153.06982	1.6
155.08580	7.0
156.09343	9.6
157.06488	2.2
157.10144	18.9
158.07289	2.1
159.08046	6.7
159.11693	5.0
161.05992	11.4
161.09651	8.3
161.10802	1.5
163.07561	3.4
163.11105	2.7
165.07028	5.1
166.07773	1.9
167.08586	4.7
168.09409	1.9
169.10152	13.1
170.10941	8.8
171.08058	5.5
171.11711	34.3
172.08772	2.3
173.06050	2.0
173.09627	9.2
173.13312	2.5
175.07550	6.9
175.11197	2.1
177.09102	3.8
179.08611	2.4
180.09348	2.0
181.10130	5.9
182.10904	2.7
183.08083	6.3
183.11713	26.0
185.09708	7.8
185.13269	25.7
187.07558	3.0
187.11159	3.6
189.05463	3.9
189.09120	2.5
193.08588	2.1
193.10197	4.6
194.10844	3.5
195.08026	1.8
195.11662	6.8
197.09627	6.2
197.13277	6.7
198.10406	2.3
199.07523	2.1
199.11238	12.3
200.11903	2.3
201.09064	2.3
201.12813	3.8
205.10185	3.5
205.12119	2.0
206.10921	2.0
207.11726	7.4
209.09676	3.6
211.07497	2.9
211.11165	7.2
213.09158	4.5
213.12759	23.0
215.10739	1.6
217.10092	4.0
217.12177	2.6
218.10938	2.0
219.11691	3.9
220.12442	3.3
221.13281	4.4
223.11240	3.9
223.14969	1.6
225.12695	1.8
227.10652	2.4
229.10231	2.6
229.12250	3.8
230.10953	2.6
231.11729	4.1
231.13713	2.8
232.12489	2.9
233.09602	2.0
233.13258	5.9
233.15413	1.8
235.14861	3.8
239.10721	1.6
241.12250	3.9
243.11716	4.9
243.13864	6.5
244.12437	2.7
245.13335	2.9
245.15421	16.1
246.13994	3.4
247.11282	2.9
247.14847	3.4
248.12068	1.6
248.15430	1.9
249.12874	2.6
251.10878	1.9
251.14220	2.4
255.11708	2.1
255.13982	2.7
257.13272	3.0
258.14096	4.5
259.14777	4.8
260.11847	3.0
261.16464	1.8
265.12167	1.8
269.09579	1.7
269.13211	6.4
270.14047	4.6
271.15176	3.4
272.15567	3.8
273.12381	1.7
273.14694	8.0
275.14343	2.3
277.12234	1.8
279.17279	1.7
281.13113	2.5
282.14075	1.7
283.11127	2.0
283.14764	3.0
284.15576	3.0
285.12643	4.3
285.16339	4.4
286.13483	2.3
287.14169	4.4
287.17542	2.0
289.11636	1.5
289.16003	2.2
297.12863	1.7
297.16220	2.5
298.13535	2.9
299.13956	2.3
301.12402	3.1
301.15869	3.9
303.14001	3.3
303.17502	4.6
312.15063	2.6
313.15952	5.2
315.13672	3.9
315.17426	3.8
317.11929	1.7
317.15305	3.6
327.13907	1.9
327.17441	5.1
329.15234	4.6
329.18997	2.2
331.16977	10.1
341.15231	6.0
342.16400	2.1
343.12985	1.9
343.17044	3.9
345.18304	8.0
349.18094	4.3
355.16986	11.8
357.18237	2.0
359.16428	13.9
361.18027	3.4
362.18365	1.7
367.19437	1.8
371.16769	2.3
373.18106	17.3
377.17239	4.5
383.16443	6.1
389.17365	1.8
391.19241	10.7
399.32095	1.7
401.17548	18.4
403.18814	2.7
405.20502	5.9
415.18930	6.7
419.18637	17.4
421.19916	2.6
423.21649	4.1
433.20126	27.7
437.19653	3.3
451.21161	22.0
461.19635	2.1
464.30322	2.2
469.21509	1.6
479.20584	5.5
493.22577	2.5
497.21121	1.7
501.23206	1.7
511.23370	4.6
597.26892	2.0
669.28479	3.0
711.34351	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.05515	65.8
67.05489	4.1
69.07072	1.4
79.05493	5.7
80.84768	1.2
81.07050	3.0
83.04987	100.0
91.05470	10.7
93.07057	5.4
95.04958	2.6
95.08617	2.0
97.06509	1.8
98.45147	1.3
103.05473	7.7
105.03419	1.5
105.07033	14.1
107.04975	1.5
107.08608	2.8
109.06539	1.6
109.10188	2.1
115.05456	4.0
116.06194	1.1
117.07026	5.6
119.04986	1.8
119.08582	11.2
121.06502	2.9
121.10130	2.0
128.06236	3.3
129.06999	3.4
131.04944	13.7
131.08563	7.7
131.57613	1.2
132.05258	3.6
133.06465	6.2
133.10126	7.8
135.08044	2.5
137.08620	1.1
137.09657	1.3
139.00389	1.1
141.06964	2.1
142.07759	3.3
143.08618	6.4
145.06476	4.9
145.10156	8.3
147.08041	6.8
149.05865	1.5
149.09607	2.3
151.07545	1.5
154.07846	1.2
155.08578	5.0
156.09341	7.2
157.06552	1.8
157.10133	10.6
159.04449	1.7
159.08058	5.2
159.11699	2.9
161.05965	8.7
161.09624	5.3
163.07541	3.6
163.11203	1.5
165.06992	1.7
165.09186	1.4
167.08601	2.5
169.10139	7.7
170.10846	5.7
171.08102	7.5
171.11699	22.1
172.08809	1.7
173.06004	2.5
173.09669	7.2
173.13292	1.5
174.08060	1.3
175.07581	5.3
175.11136	2.7
177.09114	2.4
179.06989	2.2
181.10147	3.7
183.08078	3.2
183.11702	16.1
184.08844	2.1
185.09628	6.5
185.13254	14.4
187.07539	2.7
187.11162	3.2
189.05479	2.2
189.09079	1.6
193.08594	3.6
193.10164	3.4
195.11685	4.0
197.09657	4.0
197.13283	4.2
198.10361	2.3
199.07599	1.9
199.11206	12.3
200.11966	2.3
201.09073	2.4
201.12773	3.0
203.07040	1.6
204.09184	1.4
206.10849	1.4
207.11731	3.8
209.09706	2.3
209.13347	1.3
211.07568	1.4
211.11153	5.0
213.09357	2.8
213.12753	25.3
215.08644	1.5
215.10605	1.3
217.10223	1.8
217.12160	1.9
218.10872	1.5
219.11700	2.3
221.13219	3.2
223.11243	1.9
225.09200	1.8
227.10617	2.1
229.12256	3.7
230.10805	1.6
231.11841	2.0
231.13777	2.8
235.14948	1.8
241.12233	4.5
243.11832	2.4
243.13792	3.9
244.12460	2.5
245.13335	2.0
245.15378	7.6
246.14005	2.0
247.11101	1.4
251.14264	1.6
253.08276	1.3
255.11633	2.8
255.13908	3.2
256.12363	1.7
257.13409	2.2
258.13995	1.6
259.13202	3.1
260.12051	1.5
260.15091	1.1
261.12717	2.0
262.84705	1.2
270.13934	2.7
271.15057	2.2
273.14706	5.7
274.40436	1.1
275.14609	1.6
283.11273	2.1
283.14691	2.2
284.15558	2.6
285.12778	2.5
285.16293	3.6
286.13641	1.7
287.14160	1.6
288.14932	1.1
299.14130	2.1
300.15073	1.8
301.12378	1.3
301.15884	3.0
303.13782	1.4
303.17285	2.0
311.14175	2.1
312.14969	1.4
313.15805	4.8
315.13751	1.8
315.17368	2.7
317.15298	1.5
317.18958	1.7
326.13144	2.1
327.13754	2.0
327.17355	5.1
329.15378	3.9
330.16278	1.5
331.16885	5.1
335.16306	1.4
341.15387	4.2
343.16830	2.9
345.18362	4.1
347.16461	1.6
347.20178	1.5
349.18024	2.4
355.16904	8.1
359.16354	7.3
361.18094	2.1
363.19617	2.6
369.77213	1.2
371.16254	2.0
373.17987	13.0
375.18652	1.2
377.17471	3.6
383.16333	3.5
387.19507	4.8
389.17307	1.2
391.19040	4.8
401.17529	10.6
403.18964	1.9
405.20566	5.3
408.18759	1.5
415.19095	6.8
419.18539	9.2
421.19849	1.5
423.21600	4.4
433.20181	20.0
437.20258	1.4
451.21219	13.2
479.20618	2.7
493.22211	4.7
510.21936	1.9
511.23438	3.7
528.22968	1.7
533.25116	2.5
551.26233	1.8
575.26855	2.7
593.27393	13.6
607.28882	12.0
608.74615	1.2
651.27881	13.0
658.26746	2.1
711.35632	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.01877	1.6
55.05516	59.7
58.51706	0.7
65.03925	1.1
67.05499	1.8
69.03431	1.6
69.07080	1.5
69.26276	4.1
69.26701	3.6
70.20287	0.8
77.03961	1.1
79.05486	5.0
81.03416	1.1
81.07042	3.5
83.01358	1.2
83.04988	100.0
91.05489	11.8
93.07047	6.0
95.04973	3.8
95.08607	4.3
103.05477	3.0
105.03397	1.2
105.07038	13.8
107.04974	1.9
107.08604	5.1
109.06513	1.8
115.05454	2.7
116.06268	1.3
117.07029	4.5
118.63364	1.0
119.04955	2.3
119.08589	10.5
121.06516	2.6
121.10168	2.4
123.08022	1.5
128.05380	0.8
128.06187	4.4
129.06976	4.6
130.07854	1.1
131.04953	2.7
131.08580	9.5
133.06503	5.8
133.10126	10.5
135.08092	4.7
137.09703	0.8
139.07567	0.8
141.07021	1.8
142.07777	3.5
143.08563	6.8
145.06467	4.6
145.10133	7.2
146.07327	0.9
147.08047	8.2
149.06036	1.2
149.09605	6.1
151.07626	1.8
154.07806	1.3
155.08521	5.5
156.09328	5.9
157.06482	2.9
157.10130	12.1
158.07254	1.0
159.04485	1.3
159.08061	4.7
159.11694	3.3
161.05978	6.8
161.09648	5.8
163.07552	1.9
163.11182	3.2
165.07022	2.7
165.09105	1.1
166.07745	1.6
167.08586	2.0
168.09392	1.3
169.10162	9.6
170.10887	5.1
171.08089	5.2
171.11696	19.8
172.08809	1.2
173.05945	1.9
173.09630	8.4
173.13184	1.4
175.07565	3.0
175.11150	1.4
177.05553	4.1
177.09198	1.6
178.07594	0.9
179.07011	2.9
179.08485	1.7
180.09311	1.5
181.10120	4.1
182.10986	2.1
183.08084	3.0
183.11711	19.0
184.08852	1.9
184.12511	0.9
185.09627	5.1
185.13272	14.1
187.11198	3.6
189.05501	1.8
189.09183	1.5
191.10637	1.3
192.09364	1.4
193.08617	2.3
193.10143	2.5
194.10872	1.6
195.08105	1.3
195.11714	6.6
197.09644	4.9
197.13255	5.5
198.10400	2.4
199.07532	2.3
199.11224	10.5
201.09128	3.0
201.12755	2.2
203.08565	1.2
204.09378	1.4
205.10172	2.1
205.12292	2.4
206.10944	2.8
207.11743	3.5
209.09592	2.7
209.13246	2.9
211.11195	8.2
213.09349	1.3
213.12735	19.2
215.08755	1.0
215.10706	2.5
216.09219	1.1
217.10326	1.5
217.12256	2.0
218.10901	1.1
219.11751	3.4
220.12442	1.5
221.13293	3.7
222.10402	1.3
223.11179	3.5
223.14880	1.4
225.12704	1.7
227.10677	1.3
229.10156	2.3
229.12292	3.4
230.10867	2.3
231.09837	1.4
231.11717	4.0
231.13870	2.3
232.12521	1.8
233.13380	4.1
234.14189	1.6
235.11319	1.5
235.14871	3.3
237.12860	1.7
239.10765	1.8
239.14287	1.1
241.12268	3.6
242.10893	1.3
243.12035	4.3
243.13754	4.3
244.12462	2.8
245.09607	1.2
245.13245	3.6
245.15372	8.6
246.10435	1.8
246.14079	2.1
247.11255	2.4
247.14815	3.9
248.12054	1.3
248.15718	0.9
249.12772	2.8
249.16350	2.2
251.14436	1.4
254.11113	0.8
255.11633	1.5
255.13869	2.1
256.12546	1.8
257.13245	3.8
257.15573	1.6
258.10208	1.1
258.13931	3.9
259.11172	1.4
259.15256	4.1
260.12006	1.1
260.15558	1.6
261.12799	3.4
261.16437	2.8
262.13736	1.6
263.14447	2.0
263.17889	1.4
265.12170	1.7
269.13400	1.7
270.10825	1.2
270.13992	3.0
271.15182	4.2
272.12039	1.0
272.15659	1.8
273.12317	1.6
273.14484	6.0
274.13489	1.0
274.17032	0.9
275.14664	1.2
275.17871	1.8
276.15073	1.6
277.15811	1.8
283.10959	1.3
283.14609	1.0
284.12177	1.1
284.15433	1.8
285.12668	2.5
285.16409	3.7
286.13828	2.2
287.14398	3.6
287.17807	1.9
288.15088	1.2
289.15912	2.3
289.19516	1.0
291.12210	0.8
291.17310	1.6
297.12592	1.7
297.16214	1.7
298.13525	1.4
299.14285	2.3
299.17758	1.6
300.15054	1.2
301.12424	1.2
301.15799	3.9
303.13937	1.5
303.17239	5.1
305.18604	1.0
312.14975	1.2
313.15845	3.7
315.13782	1.4
315.17404	3.5
316.14658	1.3
317.15454	1.9
317.19031	2.2
319.13214	1.7
319.16888	1.7
321.18582	1.0
327.17361	2.9
329.15262	2.5
329.18805	2.1
331.16827	6.8
332.17871	0.9
333.18289	1.4
335.16354	1.1
335.20062	1.3
340.14520	1.0
341.15421	2.7
343.16931	2.5
345.18610	6.0
347.16382	3.6
349.17972	3.7
355.16980	4.1
359.16437	8.0
359.20297	1.2
361.18060	2.2
363.19656	3.7
373.17978	10.5
375.19672	1.9
377.17203	6.1
377.20621	1.3
377.21533	2.0
383.16299	1.1
387.19507	2.3
389.17361	2.3
389.21671	1.1
391.19046	9.2
393.20557	1.4
395.22470	1.5
401.17661	6.1
405.20544	5.9
409.19888	1.1
411.21854	2.0
415.18878	2.7
419.18524	7.8
421.19775	1.6
423.21606	6.6
433.20062	16.2
437.19278	1.1
451.21222	18.7
465.22607	3.8
469.22409	2.0
479.20697	3.0
493.22171	6.3
501.22989	1.0
511.23267	6.8
519.23785	0.9
533.25275	1.6
551.26385	3.4
561.24268	1.1
579.25537	2.1
593.27716	1.8
611.28070	3.7
695.53973	1.0
711.31079	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16922	1.7
53.03944	2.3
55.05516	65.9
57.80862	1.4
66.39022	1.2
67.05513	7.0
69.03450	2.1
69.07071	1.9
79.05522	7.1
79.05904	1.3
81.07051	5.6
83.04988	100.0
88.07631	1.7
91.05489	12.6
93.07050	11.7
95.04986	4.3
95.08618	6.8
98.21503	3.7
103.05459	2.5
105.07032	15.4
107.04964	2.2
107.08601	7.7
109.06519	3.9
109.10155	3.1
115.05457	3.3
117.07045	6.2
119.04920	2.3
119.08583	10.3
121.10154	4.0
123.08087	3.3
128.06229	3.4
129.07011	3.9
131.04959	5.0
131.08582	11.9
133.06526	7.8
133.10135	11.3
135.08086	5.7
137.09648	2.6
141.06998	3.6
142.07806	4.0
143.08562	12.4
145.06494	4.2
145.10175	9.3
147.08034	8.0
147.11641	1.5
149.05992	2.2
149.09648	11.1
151.07555	3.2
153.07007	2.9
154.07733	1.4
155.08578	4.1
156.09372	9.9
157.06454	2.6
157.10156	18.5
159.08054	4.0
159.11713	4.4
161.06009	6.6
161.09607	7.2
163.07549	1.9
163.11278	1.8
165.06996	1.8
167.08623	3.0
168.09377	2.6
169.10158	12.1
170.10950	7.3
171.08073	5.0
171.11707	38.0
173.09647	8.4
173.13237	1.5
175.07494	2.7
175.11148	2.3
177.09148	2.1
179.07059	4.6
179.08557	3.4
180.09383	4.1
181.10147	3.6
183.08130	3.5
183.11690	23.2
185.09631	6.9
185.13260	24.7
187.11282	3.5
189.09152	2.3
191.10738	1.8
193.10196	4.6
194.10973	1.8
195.11723	6.4
197.09592	3.7
197.13261	8.9
198.10463	2.6
199.11195	11.9
200.11896	1.8
201.09082	3.2
201.12769	3.1
203.14293	1.7
205.10248	2.6
206.10938	3.7
207.11757	5.5
207.23380	1.4
208.12543	1.6
209.09680	2.9
209.13229	3.4
211.11221	9.2
213.09241	2.2
213.12755	21.6
217.10268	3.0
217.12273	2.2
219.11752	5.3
220.12524	3.3
221.13354	5.3
223.11192	5.1
223.14836	1.7
225.12863	2.2
229.10310	2.6
229.12343	4.2
230.11024	2.9
231.11745	3.8
231.13908	3.9
232.12509	3.4
233.13312	4.3
234.13979	2.7
235.11208	1.8
235.14879	5.2
235.37332	1.7
237.12874	1.7
241.12308	5.0
242.10808	1.5
243.11655	4.8
243.13895	8.2
244.12326	2.5
245.13243	4.8
245.15427	21.2
246.13942	2.7
247.11185	2.5
247.14893	5.4
248.15565	2.1
249.12788	3.6
249.16473	3.5
251.14299	1.9
255.13870	7.7
257.13422	2.9
258.14081	3.8
259.11111	2.3
259.14905	4.4
260.15744	2.4
261.12863	2.3
261.16403	4.2
263.14395	2.2
269.13394	2.4
270.14069	2.1
271.15048	2.8
272.15509	2.7
273.12445	2.5
273.14761	12.7
275.14319	3.2
277.12128	1.6
277.15707	2.4
283.14908	1.8
285.12857	2.2
285.16425	4.9
287.14267	4.3
287.17944	2.7
288.15146	2.8
289.15598	2.7
291.17322	3.3
298.13785	1.8
299.17889	2.0
301.16183	3.1
303.17392	5.5
313.15851	3.0
315.14203	1.8
315.17368	2.0
317.15359	2.0
317.18875	3.6
319.16980	2.2
321.18555	2.2
323.20105	1.7
327.17422	4.4
329.18988	3.0
331.16833	7.7
333.18369	5.5
335.20142	1.9
345.18494	8.7
347.16336	2.7
349.17957	6.0
355.16864	2.4
358.66833	1.7
359.16357	5.7
361.17947	2.0
363.19556	7.2
373.17990	11.3
377.17453	5.1
377.21655	3.1
387.19598	3.8
389.21555	1.7
391.19122	8.3
395.22052	4.4
401.17404	7.6
405.20685	12.0
419.18729	9.2
423.21707	15.6
433.20123	10.6
451.21066	13.9
483.23654	4.7
511.23093	3.5
583.28882	2.7
611.28955	4.7
693.30530	8.2
711.31317	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14260	2.2
53.03939	9.3
55.05516	27.8
55.28924	2.4
62.13725	2.4
65.03928	2.1
66.17280	2.0
67.05488	7.4
69.03443	2.4
69.07034	2.9
69.21030	11.9
69.21456	9.8
77.03918	4.2
79.05486	6.7
80.06001	2.3
81.03425	3.8
81.07043	9.6
83.01334	2.6
83.04981	43.1
91.05502	16.5
93.07027	9.6
95.04986	15.0
95.08559	4.1
101.02405	2.3
103.05450	10.5
105.03398	100.0
105.04471	4.6
105.07035	33.8
107.04969	4.5
107.08602	9.2
109.06538	5.5
115.05421	6.1
117.06999	10.1
119.04971	3.0
119.08582	20.7
120.04716	1.9
121.06517	5.8
121.10126	5.3
123.08089	3.5
128.06221	5.9
129.06964	7.7
131.04933	17.4
131.08589	17.4
133.06503	16.4
133.10124	11.6
135.08060	9.7
137.05997	2.3
141.07031	5.3
141.61620	2.2
142.07764	8.6
143.04861	2.3
143.08562	14.1
145.06458	6.7
145.10094	13.2
147.08043	9.9
147.11697	2.9
149.06038	2.9
149.09615	6.6
151.07570	4.8
153.06911	3.6
155.08566	9.6
156.09343	13.3
157.10129	29.3
159.08049	9.9
159.11696	6.8
161.05998	9.5
161.09648	8.8
163.07529	3.0
163.11234	5.3
165.06927	4.7
165.09113	3.9
166.07782	2.2
167.08563	4.9
168.09340	5.5
169.10158	17.0
170.10909	10.4
171.08022	6.1
171.11710	49.0
173.05846	2.6
173.09636	16.5
173.13231	5.6
174.06740	2.9
175.07578	5.8
175.11237	3.8
177.09111	8.1
179.07054	5.3
179.08546	4.1
180.09277	4.2
181.10104	6.1
182.10893	2.9
183.08119	3.3
183.11710	40.8
185.09686	10.5
185.13264	37.2
186.13557	2.2
187.07463	2.9
187.11208	6.7
191.07013	2.6
191.10643	3.5
193.08554	4.1
193.10155	6.2
194.10866	3.0
195.11700	13.2
197.09622	6.9
197.13246	11.6
198.10339	4.1
199.07526	3.8
199.11174	16.1
201.09102	4.7
201.12729	7.4
205.08458	3.2
205.10272	3.8
205.12300	3.8
206.10942	5.3
207.06429	3.4
207.11662	9.1
209.09650	4.9
209.13219	4.3
211.11174	9.2
213.12776	35.5
217.10188	3.4
218.10806	3.6
219.11688	4.6
220.12447	6.6
221.09538	2.3
221.13261	9.3
222.14091	2.3
223.11240	4.0
223.14755	4.2
225.09100	4.3
225.12764	3.3
229.10246	3.0
229.12219	5.4
230.10870	4.9
231.11676	9.1
231.13791	4.3
232.12392	4.0
233.13315	5.7
234.14005	3.7
235.11136	5.1
235.14781	6.7
237.12746	4.7
241.12228	5.0
243.11632	9.8
243.13844	11.4
244.12425	7.6
245.13142	5.7
245.15363	28.2
246.13916	3.4
247.14763	6.8
249.12764	2.6
249.16397	6.4
251.14244	4.0
255.13895	6.0
257.13318	5.3
258.14038	9.3
259.11029	3.8
259.14777	9.7
260.15674	4.1
261.12830	3.7
261.16394	7.8
263.14334	3.0
268.12283	3.2
269.13248	3.0
270.13995	5.2
271.14899	4.6
272.15625	4.8
273.14703	14.0
275.14230	7.4
275.17728	3.8
277.12314	2.5
277.15784	4.1
283.14810	3.3
284.12225	3.5
284.15549	2.2
285.12686	3.2
285.16370	4.4
286.13300	3.3
287.14322	3.3
287.17926	3.6
288.14981	3.9
289.15967	3.9
291.17215	3.1
299.14218	3.8
299.17764	2.5
301.15710	9.7
303.13763	4.1
303.17337	5.4
305.14990	4.0
307.16528	2.9
313.15802	3.3
315.17365	4.8
317.15335	6.3
317.18927	3.4
319.16772	4.0
321.18481	2.9
327.17221	3.8
329.15433	4.5
329.18958	5.3
331.16830	8.3
333.18353	7.0
341.14978	3.0
342.16434	3.1
343.16852	4.0
345.14743	3.4
345.18518	10.8
347.16345	4.2
347.20142	4.0
349.17941	4.2
355.16736	2.9
357.18655	5.4
359.16254	5.3
360.16888	3.5
361.17896	6.5
363.19388	6.6
365.17291	4.3
367.18970	4.5
373.17963	14.5
377.17334	11.6
379.18893	6.0
383.16357	3.5
389.21298	3.7
391.19135	14.2
393.20444	5.3
395.18283	5.0
401.17386	7.5
405.20517	3.9
407.18341	5.2
409.20053	9.1
415.18991	3.3
419.18323	19.6
423.21695	5.3
433.20068	10.5
434.20596	3.4
437.19394	13.7
439.21069	2.8
441.22726	3.8
451.21198	24.5
469.22168	16.2
493.22192	3.8
497.21783	6.0
511.23273	2.8
529.24103	8.5
711.36084	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	711.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53688	2.6
53.03946	8.4
55.01877	3.9
55.05517	17.7
67.05508	10.5
69.03431	5.6
69.07077	5.7
69.39877	22.4
79.05498	15.6
81.03422	5.3
81.07071	16.3
83.04998	27.5
91.05469	21.6
93.07048	14.1
95.04973	15.8
95.08619	12.7
95.23595	2.7
96.62419	2.7
97.02911	2.7
97.06518	3.8
103.05483	13.2
105.03405	100.0
105.04482	5.7
105.07034	21.9
107.04929	4.8
107.08618	10.1
109.06498	3.3
111.04449	3.9
115.05456	6.0
117.07026	7.3
119.04949	7.5
119.08586	21.6
121.06541	5.4
121.10186	6.6
123.04396	3.2
123.08076	3.7
128.06216	4.9
129.07031	6.1
131.04933	15.3
131.08582	10.9
132.05206	3.2
133.06505	9.0
133.10132	16.8
135.08058	8.1
137.05884	3.2
142.07776	5.6
143.08617	14.3
145.06485	10.1
145.10136	14.0
147.08047	14.7
149.05997	5.1
149.09625	3.3
155.08537	10.1
156.09372	8.5
157.10172	22.1
159.08090	8.0
159.11681	7.6
161.06006	11.9
161.09648	8.2
163.07596	4.0
163.11229	3.7
165.09129	3.1
167.08542	3.9
168.09422	3.3
169.10130	10.9
170.10870	6.5
171.08060	6.0
171.11699	38.2
173.09624	11.2
173.13268	4.0
175.07491	3.3
175.11118	3.3
179.07159	5.2
179.08566	5.9
180.09325	4.7
181.10110	7.5
183.08191	4.2
183.11716	38.9
184.12318	4.7
185.08160	2.9
185.09691	8.1
185.13269	22.0
187.11148	3.4
189.05400	3.6
193.10181	8.3
194.10808	3.6
195.11699	10.5
197.09688	9.7
197.13263	7.8
198.10400	5.2
199.11238	11.2
201.12778	8.0
204.09370	2.9
205.10303	3.1
205.12216	3.5
206.10898	4.0
207.11699	11.8
208.12460	4.1
209.09673	5.0
209.13321	5.9
211.11194	11.1
213.12740	26.6
217.10262	3.9
217.12224	5.0
219.11661	9.3
220.12500	5.5
221.13290	13.3
223.11252	6.4
223.14784	6.3
225.12659	3.6
229.10162	6.9
229.12262	6.5
229.14330	3.8
231.11702	8.4
231.13753	3.8
232.12517	5.7
233.13437	5.9
234.13992	4.5
235.11374	4.0
235.14801	9.9
236.15695	3.5
237.12823	6.3
237.16292	4.3
239.10667	4.1
241.12245	6.8
243.11804	5.4
243.13892	10.5
244.12483	6.0
245.13174	7.2
245.15327	17.2
246.14101	7.0
247.11145	4.6
247.14841	10.4
248.15485	3.3
249.12825	5.0
249.16472	9.5
251.14378	5.1
251.17879	3.1
255.13968	3.3
256.12585	5.1
258.14063	6.6
259.11182	4.3
259.14844	9.0
260.15652	3.4
261.12744	6.7
261.16418	15.2
262.13541	3.2
263.14331	6.6
263.18066	6.0
270.13950	5.0
273.12491	4.8
273.15021	5.8
275.14340	6.3
275.17914	8.0
277.15790	6.4
279.17249	3.9
283.14514	4.0
284.12076	3.5
285.12881	5.6
285.16415	3.7
287.14267	5.8
288.15067	6.4
289.15808	7.7
291.17523	8.2
293.18924	3.3
297.12689	3.7
301.15897	9.4
303.17496	10.9
313.15802	8.1
316.14508	3.7
317.15411	8.0
319.16864	4.7
321.18491	11.4
325.11984	3.7
327.17419	6.4
331.17032	8.0
333.18283	4.7
335.20004	4.6
341.15295	3.7
343.16916	6.7
345.18478	8.4
347.16467	6.0
349.17847	6.5
353.21265	6.2
355.16919	7.3
359.16412	10.6
361.18076	6.0
363.19550	5.7
373.18063	11.6
375.19861	4.3
377.17392	9.4
379.18976	5.0
381.20642	4.9
389.17398	5.0
391.18976	16.9
395.18417	4.7
401.17264	4.3
405.20679	7.8
407.18213	4.0
409.20111	9.4
411.21463	9.0
419.18616	9.4
423.21844	4.0
433.20074	10.2
437.19440	13.4
441.22833	3.7
451.21152	17.4
469.22308	16.0
497.21490	7.9
529.24506	15.3
679.24792	4.0
711.27502	16.1
711.35889	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	711.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	4.2
53.03932	13.2
55.05509	44.3
59.88001	3.2
67.05495	7.3
67.98389	3.5
69.03407	6.8
71.56184	3.2
79.05499	15.9
81.03403	10.0
81.07039	12.6
83.04987	60.8
83.08624	4.2
85.02892	5.4
91.05479	24.8
93.07043	19.9
93.08914	3.0
95.04997	15.8
95.08596	10.5
97.02905	6.3
103.05447	22.7
105.02717	5.8
105.03397	100.0
105.04472	6.0
105.07027	32.4
107.04966	8.7
107.08613	15.1
108.01234	3.0
109.06517	7.6
109.10166	4.4
115.05438	10.8
117.07004	13.1
119.04929	5.2
119.08583	25.3
121.06481	8.7
121.10131	7.4
123.08038	5.4
128.06187	6.5
129.06995	7.3
131.04929	38.3
131.08588	17.1
132.05276	10.0
133.06512	18.1
133.10124	13.0
135.08073	10.0
137.05963	3.9
141.06949	4.3
142.07756	9.5
143.08556	14.0
145.06470	11.1
145.10126	18.9
146.07268	3.4
147.08052	11.4
149.05992	7.6
149.09602	9.0
150.49667	3.0
153.06902	4.9
154.07848	3.2
155.08530	10.9
156.09302	11.4
157.10130	36.2
158.10782	3.3
159.04379	3.4
159.08072	14.2
159.11678	10.2
161.05980	17.3
161.09601	11.2
162.06570	3.3
163.07597	7.4
163.11162	5.7
165.06918	4.5
167.08537	6.2
168.09317	4.6
169.10167	22.3
170.10843	13.3
171.08063	14.8
171.11714	62.1
173.05908	3.4
173.09612	15.1
173.13188	4.3
175.07582	9.0
175.11124	4.6
177.09114	9.4
179.07043	4.1
181.10089	9.7
182.10834	4.5
183.08066	5.3
183.11693	49.3
184.08745	3.9
184.12164	6.6
185.09607	13.6
185.13239	46.2
186.13647	3.6
187.11128	6.6
189.05444	4.4
189.09074	5.3
193.08537	6.2
193.10156	7.3
193.12338	3.5
194.10902	4.0
195.11688	13.2
196.12344	4.4
197.09592	9.2
197.13274	14.3
198.10268	3.5
199.11156	18.8
200.11736	3.9
201.09166	4.8
201.12753	8.8
202.90128	4.1
203.10619	4.1
205.12170	4.3
206.10922	6.4
207.06509	8.2
207.11638	11.4
209.09702	3.2
209.13271	6.9
211.11148	12.0
213.09116	5.2
213.12770	36.8
215.10733	6.7
217.10275	4.8
217.12207	4.2
219.11722	5.3
220.12369	5.8
221.13266	10.2
223.11137	6.7
223.14751	4.6
225.09117	4.1
229.10143	4.0
229.12196	6.5
230.10970	4.3
231.13805	8.0
232.12358	4.9
233.13258	7.3
237.12874	4.6
241.10027	4.3
241.12225	8.1
242.78905	3.3
243.11749	5.2
243.13818	14.4
244.12384	4.4
245.13158	8.9
245.15392	25.6
246.13927	7.7
247.11195	4.7
247.14838	10.5
248.15332	4.5
249.12656	6.0
249.16644	4.3
251.14307	7.4
255.11581	5.1
255.13870	7.9
256.12320	3.5
257.13318	4.3
258.14066	7.9
259.14969	7.0
260.12122	4.5
260.15567	4.2
261.12665	5.4
261.16339	9.4
262.13318	4.4
263.14459	3.7
269.13245	6.1
270.14111	4.5
271.14771	5.9
273.14667	17.5
275.14130	5.7
277.15942	3.9
278.97623	3.1
279.17551	3.2
283.14917	4.4
285.12814	3.9
285.16153	8.4
287.14322	7.8
287.17648	4.7
289.15723	5.2
291.17328	6.6
295.16681	3.2
299.14230	7.5
300.14780	4.2
301.15823	6.4
303.17380	9.1
313.15665	6.9
315.14011	5.0
315.17435	9.5
317.15320	10.4
319.16745	4.9
321.18423	5.0
329.15173	4.8
331.16916	13.0
333.18686	6.1
335.20096	3.4
343.16992	6.1
345.18430	10.3
347.16388	6.1
347.20139	3.9
349.18115	4.0
353.21024	4.4
355.16995	7.0
359.16162	7.7
359.20135	4.8
361.18021	5.1
363.19510	6.0
365.17505	7.0
373.17972	9.7
377.17456	14.0
379.19241	7.3
383.16351	5.8
387.19208	3.3
389.17191	5.2
391.18930	15.2
395.18494	4.5
401.17355	10.7
405.20523	4.8
407.18179	5.6
409.20099	15.7
410.20612	4.3
415.19162	3.3
417.20770	4.9
419.18451	20.8
421.20007	4.5
423.21527	7.5
433.19940	14.8
437.19467	9.3
451.21179	29.8
469.22079	12.9
493.21149	3.2
496.30109	3.9
497.21246	4.5
511.22928	7.5
529.24103	9.7
711.35809	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.05515	4.4
58.67205	0.7
67.05508	3.0
69.03423	1.4
69.31419	6.6
70.40853	0.6
73.00426	0.7
77.03946	0.9
81.03419	2.6
81.07077	4.1
83.04980	7.3
86.06073	1.0
91.05481	5.5
93.07063	4.7
95.04982	2.8
95.08624	2.9
101.28534	0.7
102.84138	0.6
103.05475	8.3
105.03399	14.6
105.07032	5.1
107.04965	1.5
107.08585	4.2
109.06544	1.3
109.10169	1.7
115.05505	1.3
117.07021	1.7
119.05001	0.9
119.08572	4.8
121.06527	1.1
121.10146	1.3
123.04504	0.8
123.08080	1.5
127.02010	0.8
128.06171	1.2
129.07050	1.0
131.04933	15.2
131.08542	4.6
133.06548	2.9
133.10173	2.9
135.04492	0.9
135.08090	1.8
142.07806	2.3
143.08606	3.7
145.06537	2.2
145.10170	3.0
147.08072	2.4
147.11734	0.9
149.09660	1.3
151.07545	1.1
155.08594	1.9
156.09373	2.5
157.10123	6.2
159.08046	3.5
159.11781	2.0
161.06044	1.9
161.09654	1.5
163.07581	1.3
165.09190	0.9
169.10114	4.3
170.10980	2.6
171.08087	2.0
171.11690	10.8
173.09683	2.9
178.05876	0.8
181.10173	1.3
183.08157	1.4
183.11694	11.4
183.13222	0.9
185.09689	2.4
185.13271	7.1
187.11238	1.2
193.10188	2.4
195.11743	2.1
197.09642	1.9
197.13200	1.0
198.10483	1.5
199.07686	0.9
199.11206	3.4
201.09113	0.9
201.12753	1.7
205.10262	1.5
206.10883	1.1
207.11736	2.1
209.09773	1.4
209.13347	1.8
211.11237	2.4
213.12767	10.4
219.11870	1.4
221.13301	1.8
223.11342	0.8
229.12315	1.0
231.11934	1.5
232.12614	1.0
233.13289	2.2
235.11238	1.4
235.14888	1.5
237.16344	0.9
241.12300	0.9
243.11786	1.0
243.13948	1.8
244.12520	1.5
245.13260	1.5
245.15347	3.7
246.14069	1.3
247.14784	1.8
248.15622	1.0
249.16464	1.0
251.14345	1.3
256.12543	1.0
258.13934	0.9
259.15097	1.4
260.11975	0.9
260.15610	1.1
261.16483	2.2
271.15286	1.1
272.15619	1.0
273.15015	2.4
275.14468	1.1
275.18036	1.6
285.16803	0.8
289.16019	1.3
291.17291	1.3
301.15802	1.6
303.17493	1.4
313.15829	1.2
317.15680	0.9
331.17056	1.1
335.20206	1.4
343.16928	0.8
345.18573	1.3
349.18033	0.9
357.16339	0.7
359.16479	0.9
361.18143	1.6
365.17535	0.8
373.17993	1.4
377.17484	1.3
379.18954	1.7
387.19562	1.1
391.19092	2.4
401.17706	1.0
407.18622	1.6
417.18979	1.8
419.18628	1.0
423.21353	0.9
424.10074	0.7
425.19751	1.3
429.20737	0.9
433.20395	1.8
437.19559	0.9
451.20874	1.6
457.22495	0.9
464.27490	1.0
478.29089	1.4
485.22879	0.7
491.20578	1.7
496.29816	0.8
529.24786	2.4
589.27869	1.5
611.24561	0.9
633.26288	1.2
649.29675	1.6
651.27911	1.8
693.28711	2.0
711.29871	100.0
712.29791	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	711.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
53.06625	0.7
55.05265	1.7
55.05514	21.8
55.61997	0.9
59.04361	0.8
65.84306	0.8
67.05502	3.9
69.07078	1.6
69.63556	0.8
79.05487	3.5
81.03422	1.6
81.07043	3.5
83.04988	33.7
91.05498	6.0
92.43864	0.8
93.07033	3.3
95.04957	3.9
95.08616	1.9
96.08195	0.8
96.08871	1.0
97.06554	1.1
103.05479	20.3
104.05807	4.0
105.03381	3.0
105.07046	6.4
107.04948	1.6
107.08604	3.0
109.06570	1.1
109.10194	2.2
115.05456	1.9
117.07034	4.0
117.91184	0.9
119.04961	1.7
119.08577	7.5
121.06506	2.9
121.10151	1.6
128.06255	1.2
129.06999	2.8
131.04941	36.2
131.08586	4.8
132.05264	8.0
133.06473	3.2
133.10117	3.5
135.08035	2.5
137.09576	1.6
142.07692	1.1
143.08580	3.8
145.06500	2.8
145.10130	3.4
147.08057	2.4
149.09639	2.0
155.08545	2.8
156.09355	2.8
157.10152	6.1
159.08009	3.0
159.11694	3.3
161.05966	2.9
161.09666	1.8
162.06441	0.9
163.07520	1.9
163.11063	1.2
165.06958	1.0
168.09248	1.4
169.10173	3.6
170.10870	2.0
171.08060	3.4
171.11693	7.6
173.05959	1.2
173.09579	3.1
173.13237	1.3
175.07547	1.6
177.09177	1.4
179.07048	1.0
181.10054	1.7
183.08067	2.0
183.11674	9.8
184.08791	0.9
184.12140	1.4
185.09616	2.4
185.13297	5.0
186.10423	1.2
187.07552	1.0
189.09009	1.3
193.10191	1.5
195.11716	1.8
197.09639	2.4
197.13237	2.4
198.10307	1.5
199.11192	4.3
200.11807	2.2
201.12749	3.2
207.11688	1.5
209.09616	1.7
209.13321	1.6
210.10144	1.0
211.11163	2.9
213.12746	13.1
215.10622	1.3
217.08398	1.8
220.12250	1.1
221.13254	1.7
223.11230	1.6
229.12276	2.8
230.12614	1.3
231.13780	3.1
233.13329	1.3
241.12251	1.3
243.13789	1.7
244.12286	1.3
245.15472	1.6
246.13756	0.9
247.14896	1.3
249.12743	1.1
257.13309	1.2
258.13895	1.8
259.15134	1.8
265.12271	1.2
269.13214	1.3
272.15436	0.9
273.14682	7.3
279.14322	1.0
285.12689	1.0
287.14142	1.5
289.73294	1.0
291.16086	1.7
301.15976	1.4
303.17456	0.9
311.14102	0.9
313.14209	1.5
315.15799	1.8
319.16922	1.4
327.17432	1.4
330.15762	1.6
331.15173	2.6
343.16800	2.9
345.18613	1.2
347.16476	1.6
348.16754	1.4
355.16797	1.6
359.14868	3.8
361.17938	2.2
362.18301	2.2
365.17737	1.2
366.17978	1.2
373.17896	2.6
374.17181	1.2
375.17813	22.9
379.19104	1.3
389.17401	1.9
390.17914	1.7
391.19193	1.4
401.17535	2.2
403.19211	1.7
404.19559	1.9
405.20554	2.0
407.18393	3.0
408.18927	1.5
415.19049	1.7
419.18689	2.3
421.19940	2.0
422.20419	2.5
433.19989	7.2
439.20816	1.6
440.21704	1.0
450.20438	1.2
451.20895	3.7
457.21991	0.9
468.20905	1.2
479.20767	1.1
493.21918	2.8
496.29715	1.2
511.23254	1.3
533.24994	2.7
575.26276	1.8
593.27240	85.4
594.27197	2.6
607.19897	1.4
607.28864	21.1
608.28918	0.9
651.27783	100.0
652.27765	3.7
658.27106	3.1
673.72345	1.0
711.35443	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.3
55.05515	30.7
57.03432	8.7
57.07069	6.3
58.72050	2.5
67.05512	100.0
69.03439	3.1
69.06763	3.2
69.07070	29.6
69.68776	17.8
69.88101	2.6
69.93823	3.2
71.04989	8.6
71.08655	3.2
72.08150	2.6
74.09717	17.6
79.05502	70.7
81.03418	5.7
81.06584	5.3
81.07059	97.3
83.04988	7.1
83.08632	23.3
85.06535	7.7
91.05486	97.2
93.06474	4.9
93.07050	79.4
95.04986	6.7
95.08615	65.1
97.06539	16.1
97.10169	9.7
98.20889	6.0
99.08126	2.9
101.72909	2.9
103.05479	3.0
103.09934	2.7
105.07037	48.2
107.08598	49.3
109.06495	3.8
109.10166	23.8
111.08089	7.6
117.07025	57.3
117.26690	2.9
119.08589	41.4
121.06536	3.2
121.10150	61.2
123.08080	7.0
123.11745	6.6
125.09629	5.8
128.06206	3.2
129.07054	15.0
131.08583	50.0
133.10136	42.1
135.11694	43.9
137.09624	8.7
141.07004	3.6
143.08565	10.3
145.10130	35.7
147.11693	21.3
149.09634	6.8
149.13263	16.4
151.11212	6.5
157.10162	10.8
159.11708	22.3
161.13283	12.4
163.11237	5.0
165.12747	7.0
169.10190	2.8
171.11650	13.4
173.13290	8.0
176.85294	2.7
177.12816	8.1
177.39326	2.9
178.19090	3.1
183.11703	4.6
185.13220	6.4
195.07294	2.6
239.17982	13.5
241.19511	6.1
257.18991	38.5
259.20578	6.7
275.20062	30.8
277.21616	36.3
313.21588	5.6
331.22644	25.0
349.23694	19.9
351.25333	87.8
351.29584	5.0
363.25085	3.2
367.24890	4.6
369.26379	61.2
381.26349	11.8
468.38052	3.7
599.43036	4.8
607.43030	4.4
617.44037	26.7
625.44495	33.3
643.45764	33.0
657.46985	6.1
675.47974	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	710.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29450	2.1
53.03938	7.5
55.01878	3.3
55.05509	13.4
57.03426	2.9
57.07069	3.7
65.03946	2.2
67.05506	26.3
69.03429	4.1
69.07079	14.8
69.21479	16.6
69.21902	6.5
71.04984	5.3
75.32232	2.0
79.05495	21.6
81.03407	5.1
81.07059	62.8
83.04982	7.0
83.08611	9.4
85.06551	4.6
85.47294	2.4
87.68018	2.2
91.05476	29.1
93.07044	30.7
95.04963	8.6
95.08614	31.4
97.06525	3.9
105.03396	23.2
105.04506	3.0
105.07028	32.3
107.04944	5.5
107.08592	30.6
109.06532	22.2
109.10156	21.6
110.10480	2.8
111.08110	3.3
115.94071	2.2
116.02057	2.8
117.07007	12.3
119.08583	41.4
121.06519	3.8
121.10141	30.7
123.08073	5.6
123.11689	11.6
125.09641	2.7
128.06200	2.7
129.06993	10.1
130.07767	3.9
131.08569	25.2
133.06485	5.0
133.10138	28.4
135.08044	9.5
135.11711	20.8
137.09601	3.6
137.13261	7.3
141.06998	4.8
142.07765	4.8
143.08546	15.4
145.06538	2.3
145.10126	39.1
147.07996	6.3
147.11635	16.1
149.09630	13.9
149.10806	2.3
149.13226	4.0
155.08612	11.4
156.09348	8.3
157.10121	34.5
158.10858	2.4
159.11687	31.0
161.09595	8.3
161.13266	8.6
163.11180	7.2
167.08566	4.5
169.10127	15.5
170.10905	2.7
171.11668	19.0
173.09572	5.4
173.13266	17.2
175.11159	7.8
175.14865	8.0
179.10583	3.0
181.10129	6.4
182.10970	3.7
183.11700	20.0
184.12495	3.6
185.09583	3.3
185.13295	14.3
187.11217	4.2
187.14812	34.9
189.12746	3.2
189.16348	4.8
191.10677	6.5
193.10118	5.2
193.12238	6.3
195.11699	6.4
197.13252	16.9
199.11139	4.4
199.14815	12.4
201.12715	9.1
201.16403	7.5
203.14270	2.4
204.37256	2.5
207.11642	6.2
209.13274	9.8
211.14861	9.7
213.12808	3.5
213.16408	11.1
215.14317	8.2
215.17914	3.3
219.11790	3.6
221.13199	4.2
223.14827	6.3
225.12689	9.0
225.16397	8.2
227.14445	3.6
227.17934	19.9
228.18782	7.9
229.15936	3.3
229.19478	14.9
233.13116	3.2
235.14813	3.8
237.16353	7.0
239.14291	2.4
239.17877	2.7
243.13858	4.1
243.17557	2.9
247.14806	4.1
249.16359	3.4
251.17877	5.3
253.19530	7.9
255.17403	2.6
255.21063	4.7
261.16556	3.4
263.18066	3.4
271.20593	53.9
273.15869	2.7
275.17746	3.2
283.16962	3.9
291.21112	4.8
293.22577	9.1
309.18344	2.9
309.22021	4.3
317.22748	2.9
319.24255	2.7
321.21985	2.9
333.25809	5.7
335.23758	7.6
337.25146	8.1
351.26599	3.7
361.25259	25.6
379.26276	100.0
380.26273	3.2
433.31134	20.7
439.28476	28.3
451.31876	12.7
457.27426	2.4
463.93259	2.4
483.28940	2.9
501.30096	16.0
520.37726	2.9
543.30664	4.9
561.32172	73.9
636.67108	3.0
649.15118	3.0
710.35919	21.6
715.79486	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96340	1.2
53.03951	3.2
55.01863	6.1
55.05516	52.0
58.06583	1.4
60.25356	1.4
67.05500	3.5
69.03422	2.0
69.07059	2.5
71.45729	1.5
71.55287	2.2
72.08157	7.0
79.05499	7.7
81.03412	5.8
81.07062	5.1
83.04986	100.0
91.05479	13.4
93.07043	8.5
95.04954	5.9
95.08630	2.7
103.05498	1.4
105.03395	1.9
105.07047	11.5
107.04971	5.6
107.08573	5.3
109.06526	3.5
109.10146	2.0
115.05489	7.1
116.06282	1.5
117.07012	9.0
119.04914	1.4
119.08603	16.8
121.06516	3.8
121.10139	2.3
122.94655	1.2
128.06235	3.1
129.07001	10.2
130.07796	1.8
131.08582	11.9
133.06497	2.6
133.10155	10.7
135.08041	2.8
141.07024	2.2
142.07796	5.8
143.08568	12.3
145.06488	11.0
145.10139	13.2
147.08061	45.4
147.11713	1.8
149.09630	4.2
153.06978	1.7
155.08563	4.8
156.09343	7.4
157.10138	15.8
159.08070	17.4
159.11678	5.0
161.09633	21.4
163.07581	7.8
164.11824	1.4
165.07072	2.2
166.07680	1.9
167.08650	1.8
169.10121	8.5
170.10930	2.3
171.08093	6.5
171.11705	30.0
173.05966	6.0
173.09647	14.0
175.07532	8.7
175.11198	2.9
179.08604	2.4
181.10104	3.2
183.08023	3.2
183.11671	15.8
184.07344	2.2
184.08885	2.5
185.09641	12.7
185.13283	15.8
187.07637	3.7
187.11215	3.8
189.09152	2.5
191.10678	2.9
193.10190	2.0
194.10962	2.0
195.11740	7.0
197.09634	8.1
197.13271	5.9
198.10571	1.8
199.07423	1.7
199.11198	17.3
200.11900	2.3
201.09074	3.8
201.12709	2.5
203.10815	1.9
207.11746	2.5
209.09564	3.0
209.13286	2.4
211.11215	4.9
213.09129	3.5
213.12747	14.3
215.10629	3.5
215.14313	2.2
217.08551	3.3
217.12213	4.3
219.11835	2.0
220.12442	2.4
221.13219	3.4
223.11111	4.7
223.14807	2.3
225.12683	1.6
227.10634	3.2
229.10268	2.2
229.12251	6.6
231.11716	3.2
231.13811	25.2
232.12325	1.6
233.13345	3.1
234.13925	2.0
235.11263	1.7
237.12769	2.4
239.10599	2.2
241.12367	11.1
243.11757	3.3
243.13940	2.0
244.12488	2.8
245.11824	5.2
257.11649	1.9
258.14233	1.7
259.10913	2.5
259.13269	21.3
261.12881	3.9
270.14087	2.5
272.11740	1.7
273.12628	3.1
275.14417	3.2
276.11465	1.8
282.14185	1.8
283.11093	1.8
284.15482	1.6
285.12921	2.9
286.13425	2.3
287.14490	3.3
289.12357	1.8
297.12665	3.4
298.13553	2.8
299.14377	3.4
301.15707	3.1
303.13754	2.4
311.14270	2.4
312.15012	2.0
313.15961	4.4
314.12912	1.8
314.16571	2.3
315.17468	3.7
317.15454	1.7
317.18951	3.4
327.17432	6.9
328.18155	1.9
329.15237	5.2
329.18808	2.2
341.18945	3.2
345.18497	5.6
347.16467	2.7
356.53033	1.4
357.18393	5.1
359.20096	9.2
369.18631	6.4
375.19772	6.9
377.21286	9.4
387.19565	36.1
397.19995	1.7
405.20633	50.4
423.21628	6.1
437.23334	1.8
447.21518	7.8
465.22751	21.9
469.22574	2.0
487.24750	3.6
505.26047	4.5
509.43588	1.7
547.26794	6.5
565.28009	18.0
647.32080	12.0
665.32697	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	710.354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22956	1.5
50.44072	1.6
50.98538	1.7
51.49565	2.0
53.03934	4.5
54.05006	1.4
55.01874	2.4
55.05516	17.1
57.03416	3.6
61.02946	1.9
67.05511	12.3
67.05814	2.2
69.03412	3.8
69.07045	5.2
71.04990	3.6
79.05494	11.2
81.03433	8.5
81.07065	12.6
83.04978	18.4
83.08612	3.6
83.66750	1.5
85.02900	4.0
87.31433	1.7
91.05483	17.7
93.07054	13.6
95.04960	7.1
95.08598	7.1
103.05474	46.5
105.03406	11.9
105.04519	2.5
105.07045	17.5
107.04964	3.6
107.08578	6.4
109.06493	4.6
109.10143	5.9
111.04461	2.4
115.05453	4.6
117.07005	12.2
119.08583	17.4
120.08891	2.4
121.06470	3.8
121.10132	5.0
123.04481	2.1
123.08060	3.6
126.05531	3.9
128.06212	2.6
129.06955	3.9
131.04935	100.0
131.08591	9.7
133.06505	8.1
133.10146	14.4
135.08046	5.1
137.09570	2.1
141.07027	3.0
142.07771	3.0
143.08594	10.4
144.09286	1.6
145.06516	9.6
145.10127	12.3
147.08038	6.2
147.11665	2.9
149.09605	6.6
152.06181	2.0
153.06950	2.0
155.08524	4.8
156.09332	7.7
157.06497	1.8
157.10132	17.8
159.08063	6.5
159.11703	9.3
161.05952	9.6
161.09624	5.4
163.07527	6.7
163.11171	2.9
165.09138	2.4
168.09348	2.5
169.10143	9.7
170.10832	5.8
171.08067	6.8
171.11687	24.5
173.05969	2.1
173.09686	9.8
173.13263	2.9
175.07541	5.1
175.11172	2.4
177.02388	2.2
177.09131	20.6
179.06956	1.9
179.08557	2.0
181.10115	2.7
182.10789	2.9
183.08055	4.8
183.11699	27.1
184.07350	3.7
184.12042	2.0
185.09618	6.3
185.13248	18.0
187.07596	2.2
187.11154	4.7
188.10664	4.0
189.05504	2.5
189.09070	3.0
191.10661	2.5
193.08536	2.7
193.10086	3.2
194.90218	1.7
195.11720	3.7
197.09541	6.8
197.13242	6.1
198.10411	3.5
199.07643	2.5
199.11192	9.5
200.11935	1.6
201.08971	2.4
201.12788	4.8
205.12228	3.3
207.11630	4.7
209.09529	2.0
209.13377	3.9
211.11156	7.5
213.09109	2.3
213.12752	38.4
214.13110	2.6
215.10585	2.9
217.12245	3.3
219.11694	2.8
220.12457	2.1
221.13240	4.6
222.13806	2.4
223.11140	4.4
223.14716	2.2
225.12781	4.1
227.10680	2.5
229.06459	1.8
229.12254	3.3
229.14314	2.9
231.09955	2.6
231.11879	2.3
231.13762	3.8
232.12325	3.1
233.13339	3.3
233.15384	2.5
234.11453	1.9
234.13737	3.3
235.11079	2.4
235.14803	3.7
237.12657	3.5
241.12230	5.8
243.13788	3.4
245.13445	3.5
245.15474	7.8
247.14809	4.2
249.12827	2.2
249.16389	2.9
251.14442	2.9
254.11082	2.0
255.13863	5.4
256.12469	1.9
258.13840	1.7
259.14914	3.0
261.16507	3.0
267.15854	3.9
269.17355	5.4
271.14948	2.6
273.12308	3.1
273.14761	21.2
275.17810	2.5
287.14304	2.1
287.17560	2.3
300.15167	3.0
301.15936	5.3
315.17456	2.6
319.16986	2.0
329.18884	4.0
331.16931	6.3
333.18173	2.1
343.16956	4.5
345.18323	4.3
349.17883	2.0
355.16934	2.8
357.18573	5.1
359.16113	2.3
361.17929	5.9
369.20633	3.6
373.17950	4.1
375.19601	7.5
377.17645	1.9
385.17963	3.8
391.19089	1.8
393.20355	2.5
403.19263	9.4
403.23660	2.2
405.20435	6.1
406.84686	2.1
407.22202	3.7
415.19159	2.0
417.20450	6.3
421.20032	3.7
423.27039	2.5
429.22696	3.0
433.19745	2.8
435.21722	21.3
449.23450	2.9
451.21179	2.4
453.22961	8.2
461.29037	2.1
462.29279	4.9
463.29581	8.2
467.24286	3.3
495.23367	6.5
495.29593	5.6
513.24359	2.7
527.26440	3.3
535.27509	1.9
643.29016	9.4
653.28729	3.6
657.29938	2.6
661.29407	2.3
669.28882	4.7
675.31628	23.2
692.34064	2.5
710.35583	2.6
711.29700	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	710.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.5
55.01877	5.1
55.05515	53.1
56.05020	2.5
57.03436	3.3
67.05510	12.3
69.03442	10.5
69.07072	5.4
69.33284	14.5
70.06581	3.1
71.04985	2.8
72.04519	2.5
74.06068	6.1
74.09727	2.5
79.05502	11.7
81.03419	8.5
81.07058	15.3
82.02947	12.5
83.04986	65.9
83.08622	4.5
85.02915	3.0
87.17419	1.8
87.77201	1.5
91.05489	16.8
93.07049	13.0
95.04963	8.7
95.08616	5.7
95.33399	1.7
97.06535	2.5
98.06061	13.6
101.60872	1.6
103.05472	4.4
105.03389	4.8
105.07047	16.8
107.04961	4.1
107.08624	10.8
108.04517	2.7
109.06512	2.9
109.10153	11.0
110.06070	3.3
111.08072	2.6
113.06006	3.9
115.05461	4.0
117.07027	10.6
119.08583	18.4
121.06523	2.7
121.10133	6.0
123.08028	2.8
123.11707	2.4
126.05527	100.0
127.07588	4.3
128.06226	4.2
129.06999	9.2
131.04909	6.3
131.08566	8.7
133.06470	1.9
133.10143	18.4
134.71565	1.8
135.11661	2.6
136.07510	2.1
137.09602	2.5
142.07788	3.4
143.08565	9.0
145.06461	6.0
145.10110	9.1
147.08063	8.6
147.11690	3.4
148.07634	2.1
151.11179	5.8
155.08603	3.1
156.09386	8.6
157.06416	2.7
157.10133	13.5
158.07246	2.6
159.08035	6.3
159.11681	4.5
161.09637	6.1
163.09560	1.7
163.11148	2.4
166.07719	2.0
167.08583	2.5
168.09401	1.9
169.06563	2.3
169.10124	5.6
170.10925	6.2
171.08040	5.3
171.11688	19.8
172.08855	2.6
173.09648	6.5
173.13316	3.5
175.11217	5.3
177.05536	2.1
179.08636	3.8
181.10078	3.6
182.10977	2.0
183.11691	12.9
184.07388	2.3
184.08856	1.8
185.09636	6.9
185.13280	12.1
186.09137	4.7
187.11227	3.5
188.10716	22.8
193.10199	4.0
193.12300	4.4
195.11703	4.1
197.09636	4.8
197.13307	3.6
198.10352	3.5
199.11237	13.3
202.12209	3.3
204.10236	7.1
206.11835	23.9
207.11714	5.3
209.09721	4.2
211.11186	4.3
211.13225	2.8
213.12755	26.3
214.08647	5.8
214.13205	1.7
215.08797	2.1
216.09415	2.0
217.10176	3.1
218.11415	1.8
219.11682	4.7
220.13261	5.5
221.13226	4.3
223.11232	4.4
225.09120	2.0
229.10182	2.6
230.11018	3.0
231.11665	5.5
231.13869	4.4
232.09679	7.6
232.12410	3.2
233.09578	2.1
233.13321	4.0
234.11256	2.1
234.13960	2.0
235.11208	3.0
235.14861	2.8
237.12726	3.3
243.11729	4.0
244.12682	3.6
245.09592	2.5
245.13251	7.2
246.10701	3.2
246.14072	2.9
247.11160	4.5
247.14848	4.1
249.12770	4.1
253.14351	19.6
256.13205	6.1
258.13959	4.2
259.13135	3.3
259.15292	3.0
260.11856	3.8
260.15540	2.3
261.12762	6.6
261.16315	5.5
262.13483	3.7
263.14072	2.7
265.12143	3.0
267.15866	10.4
268.13275	2.1
269.13254	3.1
269.17633	2.0
271.11246	2.9
271.15179	7.1
272.12094	4.2
272.15515	2.0
273.12595	2.7
273.16571	4.0
275.14374	4.4
275.17828	4.8
277.16098	4.0
281.81787	1.9
283.14978	2.5
285.16849	3.1
286.13852	2.2
287.14273	12.7
288.15793	5.9
289.15900	3.8
290.16675	2.9
291.17422	5.2
298.14182	3.1
299.14462	2.1
301.16092	10.4
302.16702	11.9
308.16528	2.2
319.16711	4.0
350.17139	1.9
360.19443	2.2
374.21045	3.6
386.21130	6.5
387.21613	1.9
388.19064	6.1
398.17047	2.2
400.22760	5.9
402.24329	4.0
404.22028	3.1
410.20859	2.9
413.19446	2.4
416.22287	9.3
418.23825	7.1
423.27225	1.9
428.22205	36.0
445.26016	4.0
446.23236	43.5
447.23123	2.2
459.27628	1.9
463.26947	10.0
464.24225	13.1
477.28296	4.4
482.26486	2.0
486.26935	2.5
488.24438	2.1
495.29584	8.6
500.27881	2.4
506.25430	32.5
510.25977	2.4
513.29974	2.5
514.25818	5.9
524.26538	10.5
528.27161	6.9
532.26990	3.9
546.28473	4.7
550.27850	1.9
588.29541	4.1
592.28949	17.0
606.30981	10.6
610.29999	21.0
674.32672	5.0
692.34308	85.8
693.34155	4.8
710.25885	1.9
710.35388	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	710.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63347	0.9
53.03937	1.8
55.01870	1.2
55.05508	2.0
67.05501	3.8
69.03461	1.4
69.29433	7.2
69.29842	2.0
77.03925	1.4
79.05484	4.5
81.07042	4.4
83.04967	3.0
85.02891	1.1
85.35961	1.0
88.99178	1.0
91.05478	8.0
93.07051	7.2
95.04978	8.8
95.08617	3.4
97.06527	2.4
98.20783	1.9
102.19884	1.0
103.04799	2.2
103.05478	42.4
105.03375	2.0
105.06471	1.1
105.07046	11.0
107.04970	1.5
107.08595	4.2
108.35393	0.9
109.06488	1.5
109.10191	1.1
115.05430	1.5
117.06993	3.3
119.08590	14.8
121.06506	3.3
121.10149	2.3
123.08031	1.7
128.06250	1.2
129.07018	2.2
131.04936	100.0
131.08560	4.2
132.05203	1.3
133.06499	4.0
133.10127	7.1
135.08072	6.6
137.09674	1.0
142.07806	2.1
143.08571	5.9
145.06456	2.9
145.10118	5.1
147.08063	3.6
149.06000	1.9
149.09634	8.7
151.07509	1.6
153.07010	1.5
154.07863	1.2
155.08559	3.9
156.09326	2.4
157.10147	13.5
159.08083	3.7
159.11655	8.0
161.05960	2.3
161.09648	3.3
163.07521	2.0
163.11227	1.2
165.06976	1.0
166.07700	1.3
167.08559	1.2
169.10120	8.8
170.10905	2.8
171.08121	2.6
171.11713	11.4
173.06038	1.1
173.09676	6.0
173.13300	1.9
175.07599	2.0
177.09108	2.9
179.08531	1.6
181.10155	3.6
182.10922	1.2
183.08125	1.7
183.11719	20.8
185.09639	4.5
185.13255	3.7
187.11180	4.1
191.10559	1.7
193.10135	3.1
193.12218	3.8
194.10887	1.9
195.07977	1.3
195.11705	3.8
197.09624	3.6
197.13281	1.9
198.10368	1.2
199.11212	3.3
201.09100	1.1
201.12758	4.1
203.10703	1.5
204.09312	1.0
206.10789	2.3
207.06509	1.2
207.11623	6.1
208.12468	2.2
209.09712	1.3
209.13211	3.2
211.11168	5.5
213.12744	3.7
215.10664	1.4
216.09322	1.5
217.10162	2.7
217.12144	2.2
218.10812	2.3
219.11685	4.6
219.13512	1.2
220.12419	3.7
221.13225	6.5
223.11162	2.3
223.14801	2.6
225.12764	1.6
229.10226	1.6
229.12245	4.1
229.14351	1.0
230.10892	3.2
231.11626	4.2
231.13873	3.2
232.12462	3.7
233.13245	4.5
233.15303	1.7
234.14014	1.4
235.11160	2.3
235.14792	4.3
237.12762	2.4
237.16315	2.0
241.12332	1.4
243.11623	3.1
243.13824	3.1
244.12399	2.8
245.13440	4.8
246.14049	4.1
247.11154	1.9
247.15018	8.9
249.12767	2.2
249.16341	3.2
251.14374	1.5
255.13914	1.8
257.13351	2.4
258.13980	2.7
259.10995	1.7
259.14978	5.7
260.15753	1.4
261.12631	1.3
261.14658	1.3
261.16571	3.2
263.14282	1.8
263.18201	1.3
265.15851	1.3
270.14050	2.4
271.10944	1.1
271.14984	1.5
273.16342	3.0
275.14276	3.3
275.17920	1.4
277.12222	1.2
277.15817	1.2
279.17450	2.7
281.11649	1.3
284.15485	1.4
285.12863	1.3
285.16260	1.8
286.13449	2.0
287.14255	1.7
287.17795	1.1
288.14938	1.3
289.15768	3.3
291.17355	1.6
293.15442	1.1
301.15854	3.7
303.17297	4.8
304.14774	1.1
305.15271	2.0
307.16989	2.4
313.15842	1.4
315.17322	1.6
317.15521	2.3
317.18985	5.4
319.16913	3.7
321.18500	7.5
327.17529	2.1
329.15247	2.9
330.16031	1.2
331.16785	2.9
333.18503	2.0
335.16360	1.6
337.17935	2.3
339.19543	2.8
343.16846	4.1
345.14755	1.3
345.18417	4.8
347.16391	10.7
349.18097	2.2
351.19449	1.9
356.14789	0.9
359.16528	1.3
361.18002	16.0
363.15527	1.9
363.19409	3.4
365.17490	6.7
371.16418	2.9
373.17731	1.4
375.15833	2.3
377.21207	4.1
379.19107	8.8
389.17542	12.8
391.19232	1.3
392.19287	1.3
393.16583	1.9
393.20929	1.4
395.22098	2.8
397.20349	1.4
401.17136	1.2
403.19153	1.9
405.20999	1.3
407.18488	15.4
409.20212	2.0
411.21799	2.0
417.16937	2.3
421.20071	14.8
423.22095	2.2
425.19760	3.0
427.21414	1.2
431.18011	1.8
433.20352	1.9
435.18011	4.5
439.21130	14.9
449.19730	5.0
451.21188	2.1
453.18942	2.2
457.22171	4.1
467.20624	9.4
485.21622	4.2
644.60785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01889	1.4
55.05505	2.4
56.05035	1.2
57.03440	1.4
57.51955	1.1
67.05511	8.0
69.07085	2.4
69.59467	5.8
71.87936	0.9
79.05501	6.5
81.03397	1.8
81.07053	6.3
83.04955	3.4
83.08633	1.0
85.02875	2.0
86.09719	6.9
91.05473	7.3
93.07040	7.4
93.31555	0.9
95.04977	6.5
95.08595	4.3
97.06511	1.6
100.99755	1.0
103.05471	67.1
105.03400	5.5
105.04503	1.2
105.07039	7.9
107.04977	2.2
107.08607	5.2
109.06499	2.4
109.10139	2.8
111.04388	1.2
115.05412	2.0
117.07008	3.1
118.37717	1.0
119.08611	10.3
121.06487	3.0
121.10120	1.6
123.08097	1.1
128.02736	1.0
129.07016	2.6
131.04929	100.0
131.08594	5.4
132.05206	1.5
133.06467	3.6
133.10089	5.3
133.52550	0.9
135.08020	3.4
135.25546	1.0
142.07767	2.7
143.08578	4.7
144.09286	1.3
145.06476	1.8
145.10164	5.2
147.08017	3.6
149.09595	4.5
149.13374	1.0
151.07578	1.6
155.08546	2.4
156.09329	2.2
157.10141	9.6
158.07161	1.3
159.08057	4.0
159.11690	8.0
161.06032	2.0
161.09660	2.5
163.07530	1.3
165.06973	1.8
169.10120	5.8
170.10927	1.7
171.08151	1.2
171.11670	9.3
173.09572	3.8
173.13275	1.7
175.07561	2.2
177.09114	1.7
179.08537	1.4
181.10097	2.9
183.08069	1.5
183.11685	15.2
184.12341	1.5
185.09666	3.5
185.13174	5.1
187.11140	2.7
191.10657	1.1
192.09358	1.5
193.08621	1.7
193.10173	2.3
193.12219	1.2
195.11696	2.8
195.13696	1.0
197.09581	3.1
197.13300	2.3
199.11121	3.3
201.09245	1.4
201.12718	2.6
204.09351	1.0
205.10057	1.1
206.10895	1.9
207.11676	3.9
208.12379	1.3
209.13281	2.5
211.11151	3.0
211.14786	1.1
213.09116	1.4
213.12735	2.7
215.10635	1.7
217.10175	2.3
218.10881	1.7
219.11652	3.2
220.12439	2.1
221.09744	1.5
221.13239	4.5
222.10379	1.1
223.11267	2.3
223.14751	2.3
225.12703	1.7
229.10033	1.5
229.12134	2.4
229.14296	1.9
230.10870	1.7
231.11679	3.4
231.13747	2.2
232.12422	2.4
233.09445	1.4
233.13254	4.4
233.15392	1.5
234.14093	1.7
235.11171	1.2
235.14754	4.3
237.12860	1.5
237.16327	1.0
243.13820	1.6
244.12415	1.9
245.13510	5.4
245.15404	1.7
246.13982	3.3
247.14825	7.1
248.15619	1.3
249.12651	2.0
249.16412	1.4
251.10608	1.1
255.13841	1.2
256.12378	1.1
257.13391	1.6
258.14069	1.7
259.11322	1.2
259.14807	4.2
260.15482	1.1
261.12625	1.6
261.16299	3.1
269.17496	2.6
271.10962	1.0
273.15244	0.9
273.16409	1.0
274.13434	1.2
275.14420	2.0
275.17920	1.5
277.15924	1.2
285.16455	2.0
286.13388	1.5
287.14377	1.6
287.17862	1.2
288.15216	1.7
289.15878	2.5
289.19034	1.1
291.17337	2.2
301.15930	2.4
303.17368	4.0
307.17038	2.0
315.17328	1.5
317.18896	4.6
319.16754	2.6
321.18573	4.7
329.15344	2.7
331.16812	1.3
333.18451	1.7
335.16330	2.2
343.16818	1.1
345.18353	2.8
347.16406	7.1
349.17871	2.3
357.14655	1.2
361.17960	10.4
363.19583	1.3
365.17453	6.0
371.16541	1.6
373.17938	1.4
375.15851	1.1
377.21173	1.8
379.18967	6.3
389.17487	8.3
391.19058	1.8
395.22247	1.4
395.36987	1.1
403.19168	1.8
407.18536	9.5
411.21652	2.1
421.20062	11.2
423.21948	2.2
423.27258	2.4
431.18552	1.4
435.18103	2.0
439.21259	9.4
449.19458	1.9
451.21286	1.2
453.18692	1.4
457.22076	3.1
464.56863	1.1
467.20438	5.8
485.21451	2.7
495.29108	3.8
513.30591	1.2
710.38666	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01871	1.7
55.05503	5.2
67.05502	5.1
69.03416	2.7
69.07076	2.1
79.05483	5.8
81.03421	4.1
81.07052	4.3
83.04982	7.1
83.08536	1.4
84.51498	1.4
91.05478	11.2
93.07018	6.4
95.04964	10.3
95.08607	4.0
97.06509	1.4
103.04792	2.4
103.05476	48.9
105.03408	6.7
105.07033	15.2
105.26322	1.2
107.04980	2.2
107.08597	5.2
109.06524	3.2
109.10161	2.1
115.05449	3.2
117.07032	7.7
119.04974	2.9
119.08582	19.6
121.02847	1.5
121.06506	2.3
121.10152	1.7
128.06221	1.7
129.07005	5.7
131.04935	100.0
131.08569	10.8
132.05281	2.1
133.06493	8.9
133.10139	6.5
135.08034	5.3
138.98740	1.3
141.07008	2.1
142.07764	3.3
143.08588	8.1
145.06517	6.6
145.10149	6.6
147.08104	7.5
147.11639	1.3
149.05994	2.7
149.09596	5.1
155.08551	4.8
156.09363	6.1
157.10120	19.0
158.10953	1.3
159.08051	6.7
159.11682	14.9
161.05997	9.8
161.09633	4.5
163.07507	4.3
166.07843	2.0
167.08618	1.9
168.09305	1.4
169.10106	7.8
170.10857	3.0
171.08058	2.2
171.11720	17.6
173.06117	3.3
173.09642	7.1
173.13322	3.4
175.07527	5.6
175.11218	2.6
177.09122	3.4
179.07040	2.8
179.08539	2.7
181.10129	3.0
183.08025	3.0
183.11700	32.6
184.12288	1.8
185.09624	5.4
185.13246	9.8
186.10402	1.5
187.07594	2.2
187.11179	4.0
189.05476	3.0
189.09048	1.3
192.09354	1.6
193.08632	2.5
193.10208	3.1
194.10878	2.2
195.08055	2.3
195.11681	4.9
195.13498	1.2
197.09618	4.5
197.13249	2.5
198.10339	2.0
199.11163	5.7
201.09035	2.9
201.12761	6.5
203.10600	2.4
205.12242	2.1
206.10866	2.8
207.11714	5.0
208.12442	1.9
209.13255	3.7
211.11237	6.7
213.09258	3.0
213.12756	12.9
214.13193	1.6
215.10626	2.3
216.09338	1.5
217.12190	2.2
218.11082	1.8
219.11653	3.6
219.13638	1.4
220.12379	1.4
221.13235	4.3
222.13924	1.7
223.11214	3.3
223.14865	1.9
225.12674	1.8
227.10732	2.5
229.08453	1.7
229.12283	4.2
230.11032	1.8
231.11723	4.8
231.13812	2.9
232.12488	1.7
233.13301	2.5
233.15352	3.3
235.11224	1.9
235.14835	2.5
237.12813	2.4
241.12267	2.6
243.11748	2.3
243.13907	4.8
244.12366	3.7
245.13329	2.9
245.15456	3.5
247.15038	2.3
249.12689	2.6
251.14360	2.1
257.13297	4.1
258.13998	3.8
259.11169	2.7
259.14856	3.0
260.11813	1.6
260.15588	1.9
261.14835	3.7
263.14404	2.1
269.13107	2.2
270.13904	2.6
271.10995	1.4
271.14960	1.7
272.15488	2.0
273.12366	1.4
273.14850	3.6
275.14426	2.0
283.11118	1.8
283.14859	3.5
285.12799	1.9
285.16290	3.8
286.13437	1.7
287.14380	2.9
287.17850	2.5
289.11902	1.9
289.15198	1.5
295.13596	1.9
299.14221	2.5
300.14987	1.7
301.12506	1.7
301.15729	3.2
311.14224	1.7
313.12137	2.4
315.13943	1.8
315.17413	3.4
317.15451	1.9
317.19022	1.7
319.16766	3.3
325.16150	2.4
328.14478	2.5
329.15344	8.0
331.13162	1.5
331.16885	3.3
333.18588	2.4
337.17801	1.8
343.17004	12.4
345.18604	1.6
347.16425	10.1
347.20078	1.8
351.25397	1.4
357.14780	2.1
357.18631	2.4
361.17993	11.4
363.16000	2.5
365.17395	5.2
371.16504	7.7
375.15601	2.2
375.19708	2.7
377.21118	1.4
379.19113	4.9
385.17932	2.0
389.17505	13.8
391.19196	1.5
393.16479	1.9
393.20901	2.4
399.15430	2.2
403.19064	10.6
407.18524	10.2
409.19910	2.2
417.17007	3.6
421.20184	21.5
423.21780	2.3
431.18604	5.5
435.17590	4.2
435.22357	2.9
439.21222	16.5
449.19675	9.7
453.18457	2.9
457.22128	5.8
467.20499	12.2
485.21732	5.2
643.27997	2.2
675.31226	2.4
705.36078	1.3
710.32751	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	710.317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67580	0.9
51.02378	1.2
52.79339	1.0
53.03942	1.7
53.35454	0.9
54.87988	1.0
55.01871	1.5
55.05513	6.2
56.91112	1.1
57.03437	1.7
57.35463	1.0
57.58849	1.1
66.57928	1.0
67.05504	8.8
68.05837	1.0
69.03426	2.4
69.07063	2.0
71.04987	1.7
77.03933	1.3
79.05496	6.4
81.03419	6.5
81.07063	11.0
83.04999	6.3
83.08608	1.4
85.06552	1.3
91.05486	11.0
93.07058	7.8
95.04960	9.8
95.08603	3.8
97.06522	3.0
97.10189	1.3
103.05475	54.5
105.03413	1.9
105.04549	1.3
105.07035	14.8
107.04948	1.8
107.08620	5.6
107.51057	1.2
109.06514	1.9
109.10173	1.9
115.05474	2.4
117.07013	5.4
119.08591	17.7
121.06510	4.2
121.10128	3.0
123.04492	1.4
128.06215	1.9
129.07024	3.5
131.04936	100.0
131.08572	8.4
133.06523	7.3
133.10100	6.8
135.08049	3.0
135.11684	2.0
141.06958	1.9
142.07750	2.6
143.08533	4.8
145.06439	2.7
145.10144	5.2
147.08057	4.2
147.11713	1.9
149.06017	1.8
149.09613	6.7
149.13284	2.1
155.08530	4.2
156.09315	3.5
157.10159	14.9
158.10725	1.2
159.08032	4.8
159.11711	12.2
161.05997	7.7
161.09628	2.9
163.07538	4.1
165.09094	1.3
167.08578	1.6
168.09274	1.7
169.10143	7.9
170.10881	1.9
171.08028	2.9
171.11707	12.4
173.06096	1.7
173.09599	4.7
173.13297	3.8
175.07550	5.1
175.11082	1.3
177.09117	12.5
179.06992	1.3
179.08548	1.4
180.09447	1.0
181.10114	4.6
183.08032	1.3
183.11693	22.4
184.12392	1.9
185.09607	3.7
185.13303	6.3
187.07507	2.0
187.11189	5.3
189.05481	4.2
189.09100	1.4
191.06973	1.4
191.10672	1.4
192.09410	1.8
193.10173	3.1
193.12265	1.7
194.11011	1.6
195.08102	1.3
195.11688	3.7
195.13684	1.7
197.09641	3.4
197.13258	1.6
199.11182	2.7
201.12706	4.0
203.10614	2.5
205.08562	2.4
206.10994	1.5
207.11681	4.6
208.12347	1.7
209.09651	2.6
209.13159	2.8
211.11134	4.8
213.09087	4.3
213.12700	3.1
215.10649	2.1
217.12109	1.9
219.11732	2.3
220.12483	2.2
221.09700	1.7
221.13251	3.8
223.11221	2.6
223.14655	2.6
225.12843	1.3
227.10670	2.2
229.12325	5.8
229.14287	1.9
230.11034	1.8
231.11748	2.3
231.13806	2.6
233.15381	4.7
235.11093	1.8
235.14940	2.1
237.12753	2.6
243.11670	3.3
243.13809	4.1
244.12398	2.3
245.13368	2.5
245.15472	1.9
246.14143	1.7
247.11116	1.4
247.15024	1.9
249.12796	2.1
251.10677	1.5
251.14421	3.7
253.12294	1.8
255.11670	1.7
256.12314	1.8
257.13147	4.3
258.13977	3.8
259.11026	2.2
259.15027	2.6
261.14862	3.7
263.10620	1.8
265.12125	1.3
267.15918	3.6
268.12686	1.8
268.16205	2.7
269.13443	2.2
269.17432	3.0
270.14011	1.3
270.17758	2.5
271.11084	1.5
271.15152	1.6
271.17847	1.4
273.12680	1.9
273.16623	2.9
277.15903	1.3
283.14816	1.4
284.15421	1.4
285.12723	2.9
286.13654	2.4
287.14377	2.6
287.17834	1.9
295.13522	2.1
299.14001	1.9
300.15079	1.6
301.15817	4.4
303.17383	1.4
311.14072	1.8
314.12943	1.5
315.13861	1.8
315.17426	4.1
318.16095	1.3
319.16989	4.1
323.12973	1.9
325.15613	2.8
328.14569	2.0
329.15436	6.7
331.16855	1.8
333.14685	1.8
333.18469	3.1
337.14139	1.9
343.16953	14.7
345.14859	2.6
345.18631	1.8
347.16553	11.6
349.14264	3.6
351.25330	3.1
361.17947	15.9
363.15784	2.3
365.17435	5.6
371.16467	8.8
375.15781	2.0
379.19058	4.8
389.17505	17.3
391.14963	1.5
393.20972	2.7
399.15720	2.0
403.18970	12.2
407.18646	13.0
417.16968	4.2
421.20172	20.4
423.17868	3.3
423.27374	1.6
431.18494	2.6
435.17722	6.8
439.21243	16.6
449.19604	12.8
453.18683	2.9
457.22235	2.7
461.28949	3.1
462.29352	3.7
463.29822	8.9
467.20761	17.0
485.21545	8.7
495.29688	1.8
527.22705	2.1
545.23688	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	710.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69804	3.1
53.03937	6.3
55.01875	12.1
55.05513	33.0
56.05836	5.0
56.16142	3.4
57.03422	4.8
59.19343	2.8
59.43952	3.1
60.57764	2.8
65.03938	3.2
66.52062	3.1
67.05499	13.3
69.03423	10.8
71.05011	4.9
78.67706	3.2
79.05512	18.8
81.00541	3.7
81.03420	14.5
81.07047	5.3
83.04977	46.0
84.05316	4.1
91.05487	27.0
93.07044	13.3
95.04978	38.8
95.08627	7.8
97.06532	5.1
103.05476	31.7
105.03408	3.5
105.07042	40.6
107.04967	9.2
107.08586	10.9
109.06506	4.5
109.10147	6.1
115.05434	15.5
117.07021	22.2
119.04972	5.6
119.08572	18.3
121.02831	3.3
121.06501	12.4
121.10169	4.9
123.04424	7.6
125.05982	3.7
128.06239	9.0
129.06989	11.4
131.04932	63.4
131.08601	18.2
133.06502	44.6
133.10126	9.6
135.04445	6.2
135.08037	15.2
139.03934	4.0
141.06995	6.6
142.07782	8.1
143.04919	3.6
143.08583	19.2
145.06502	28.7
145.10136	12.4
147.04478	5.0
147.08047	12.4
149.05960	8.9
149.09552	5.0
151.07516	6.2
152.06198	3.6
153.05490	3.5
154.07690	3.6
155.08577	12.8
156.09288	7.1
157.06514	7.9
157.10153	21.4
158.07225	3.1
159.08070	25.1
159.11653	7.4
161.05989	83.5
161.09610	11.3
162.06755	3.5
163.07541	19.2
165.07066	7.2
167.08488	5.9
168.09216	4.7
169.06509	10.3
169.10173	18.5
170.07208	4.4
170.10936	5.1
171.08067	18.9
171.11670	22.1
172.08797	6.7
173.06001	14.9
173.09633	14.4
173.13249	4.6
175.07565	12.3
175.92003	3.2
177.09174	9.9
179.07103	5.5
179.08524	8.2
181.10109	8.9
182.07332	5.4
183.08058	19.1
183.11703	17.8
184.08832	5.9
184.12100	4.5
185.06026	7.8
185.09628	23.7
185.13287	10.4
186.10397	4.6
187.07562	24.4
187.11188	10.8
189.05476	3.9
189.09140	11.4
191.06976	4.3
195.08081	8.6
195.11732	3.6
196.08725	3.6
197.05949	3.6
197.09695	18.8
197.13213	5.2
198.10336	7.8
199.07556	28.2
199.11174	21.5
201.05437	3.6
201.09102	11.5
201.12752	8.6
203.06975	4.0
203.10597	4.6
205.08533	10.0
205.10315	4.5
207.11824	5.0
209.09616	7.9
211.07521	14.5
211.11165	7.6
212.08159	3.5
213.09085	43.3
213.12561	14.9
214.09792	4.4
214.13048	4.4
215.07066	6.9
215.10712	10.6
217.08614	10.9
220.12224	4.9
221.13303	3.2
223.07518	7.5
225.05573	8.6
225.09077	42.2
227.07021	8.5
227.10706	9.9
229.04907	4.1
229.08611	9.1
229.12242	19.2
229.14267	4.0
231.06435	4.2
231.10124	5.3
235.07550	4.3
237.09200	6.9
239.10712	9.0
241.08557	44.8
241.12347	4.9
243.06528	7.1
243.10051	16.4
243.13885	6.0
244.07259	4.0
245.07962	7.1
245.15471	4.6
249.12762	3.6
251.07080	4.6
251.10753	3.2
253.08621	5.2
255.10092	4.4
257.08075	99.2
257.11252	4.5
257.11902	4.2
257.13477	3.2
258.09109	3.2
259.09592	58.0
265.08429	4.8
265.10828	6.8
271.09683	9.7
273.11288	8.6
275.09262	9.2
279.10141	3.9
282.10385	5.0
283.09521	5.4
285.11389	9.7
286.13702	3.6
299.10345	4.6
301.10681	36.5
301.15918	5.2
303.12088	16.1
309.11636	3.2
316.14401	4.2
317.14923	3.4
319.11789	56.8
327.13742	4.8
329.15506	4.1
331.16251	4.6
335.16571	4.0
343.13052	3.8
347.16235	4.1
357.14642	6.1
367.13602	6.4
385.14160	9.5
387.14548	19.9
389.17255	4.7
401.13693	5.2
403.13904	100.0
404.14532	6.1
405.15558	20.7
407.18591	7.2
419.14755	4.6
421.15305	16.2
431.14700	5.2
435.18039	5.6
445.16519	8.7
451.17154	5.1
456.69376	3.2
460.20920	4.6
463.17346	15.3
477.17398	5.7
479.19388	9.8
481.18616	21.9
499.19901	6.2
505.18716	15.5
509.21820	5.4
523.19196	3.9
537.21271	21.8
547.19550	14.9
551.18634	4.0
553.20587	6.6
555.22284	9.5
565.20703	44.8
583.12512	4.2
583.21765	77.2
593.26801	4.3
597.23071	14.6
601.22833	58.8
615.24188	9.4
633.25299	6.7
651.27136	4.0
657.27002	6.1
710.31683	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	709.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.9
55.01875	3.6
55.05517	41.3
63.44818	0.9
63.95784	0.9
67.05505	4.6
69.03435	2.6
69.07072	1.6
71.04984	1.1
71.55000	1.2
77.03922	1.4
79.05492	7.0
81.03419	3.1
81.07062	5.3
83.04989	56.2
84.05311	1.0
87.67883	1.0
91.05483	14.0
93.07059	6.5
95.04961	7.0
95.08629	3.9
97.06530	2.7
99.04469	1.0
102.40862	1.1
103.05476	48.1
104.05785	1.9
105.03390	8.3
105.04491	1.4
105.07047	12.0
107.04980	4.3
107.08627	2.9
109.02866	1.0
109.06537	3.4
109.10166	1.9
111.04427	1.8
115.05473	7.7
116.06285	1.4
117.07029	14.8
119.04963	1.3
119.08607	13.4
121.06520	4.5
121.10181	2.6
123.04456	2.8
123.08098	2.1
125.06008	2.4
128.06224	4.8
129.06999	7.5
131.04939	100.0
131.08574	8.1
132.05251	5.0
133.06502	5.3
133.10138	7.8
135.04387	1.8
135.08083	4.2
135.14552	1.0
137.05980	2.1
141.07007	4.0
142.07758	5.3
143.08614	9.8
144.05682	1.2
144.08142	1.0
145.06522	10.7
145.10136	6.9
147.04457	1.1
147.08066	9.1
149.06001	2.9
149.09615	5.1
153.05550	2.4
153.06921	2.8
154.07787	1.8
155.08568	6.4
156.09395	7.5
157.06502	2.6
157.10155	15.7
158.07297	1.5
159.08089	11.2
159.11717	4.3
160.08675	1.0
161.06042	6.0
161.07246	1.0
161.09634	6.1
162.06602	1.3
163.07527	2.1
165.07010	4.0
166.07718	1.1
167.07089	2.5
167.08589	3.4
168.09409	2.8
169.06458	1.4
169.10132	10.5
170.10902	5.7
171.08025	6.0
171.11679	21.9
172.08789	2.1
172.20445	1.3
173.06032	7.2
173.09627	5.9
173.13255	2.8
175.07509	5.8
175.11212	1.2
177.05482	1.6
177.09146	9.1
178.07806	2.1
179.07126	1.8
179.08607	2.8
180.09286	1.7
181.10100	5.2
182.07285	1.1
182.10837	1.8
183.08083	3.9
183.11710	19.6
183.13237	1.7
184.08882	2.7
184.12437	1.7
185.06192	1.3
185.09612	7.7
185.13266	14.0
187.07547	4.7
187.11243	3.1
189.09149	4.4
191.08583	1.9
191.10739	1.7
192.09340	2.0
193.10165	4.3
194.10852	1.5
195.06543	4.3
195.08113	2.6
195.11737	6.8
195.13408	1.2
197.09630	12.7
197.13298	3.6
198.10402	3.4
199.07637	1.4
199.11174	11.1
200.11740	2.0
201.09091	2.8
201.12762	4.8
202.07831	1.5
203.07030	2.1
203.10658	2.4
204.09366	1.1
205.08485	5.1
205.10310	2.0
205.12300	1.1
206.10933	2.3
207.08122	1.6
207.11746	5.7
208.12456	2.1
209.09731	5.6
209.13289	3.8
210.10451	3.2
211.07596	1.7
211.11191	11.7
212.11938	1.0
213.09258	1.6
213.12712	11.6
215.08687	1.4
215.10687	3.1
217.08502	8.9
217.10457	1.4
217.12213	2.1
218.10890	2.0
219.09940	1.3
219.11804	2.3
220.12379	2.3
221.09673	3.0
221.13264	3.8
222.10320	2.1
223.11200	3.9
223.14847	1.9
225.09142	2.2
225.12817	3.2
227.10687	9.1
229.10240	2.3
229.12309	6.3
230.10861	2.0
231.10136	3.1
231.11900	2.2
231.13890	2.1
232.08820	1.4
232.12392	1.3
233.09769	1.2
233.13287	3.2
234.10239	1.3
235.11275	1.7
235.14925	2.7
237.09163	2.2
237.12781	4.4
239.10693	2.5
241.12228	2.9
243.11861	2.2
243.13873	5.1
244.12434	2.5
245.11494	1.4
245.13522	1.4
245.15433	8.2
247.11261	2.0
247.15009	1.7
248.15424	1.5
249.12808	2.8
249.16360	2.1
251.10680	1.4
251.14421	2.6
253.10037	1.5
253.12369	2.5
255.09962	1.4
255.13882	1.9
256.12460	1.3
257.13657	1.8
258.14084	3.1
259.11047	1.8
259.14951	3.6
260.11884	1.4
261.12738	2.6
261.16733	1.7
262.13574	1.9
263.14288	2.2
265.12296	3.3
267.11774	3.5
268.12717	1.3
269.11655	2.2
270.14172	2.1
271.13126	2.2
272.15598	2.2
273.12500	2.3
273.14642	4.6
273.16925	0.9
275.10916	1.1
275.14212	2.4
276.14993	1.2
277.12296	1.4
277.15759	1.4
281.13150	1.7
282.13983	1.7
283.14841	2.3
284.11859	1.6
285.12796	1.9
285.16483	2.4
286.13629	1.7
287.12628	1.7
287.17938	1.7
295.17090	1.4
297.12787	1.3
297.16324	3.1
298.13531	1.6
299.14258	2.6
299.17801	1.7
300.15320	1.9
301.15829	1.8
302.13248	1.5
303.13712	1.7
305.15118	2.1
307.17081	1.3
311.14331	1.8
311.17853	1.5
313.12070	1.4
313.15826	2.9
315.13965	1.5
315.17456	4.5
317.15366	1.9
319.16873	2.2
321.14969	1.8
324.14963	1.5
325.15460	2.4
327.13855	2.1
327.17435	3.6
328.14581	1.3
329.15216	3.1
329.19141	3.3
331.16830	3.3
339.17422	3.2
343.17169	5.4
345.18359	1.3
347.16537	1.5
349.17917	1.5
355.16962	1.5
357.18466	3.8
359.16364	2.4
361.17993	1.7
363.19852	1.2
365.17554	2.1
367.17239	1.5
371.20084	1.9
373.18292	1.9
375.19537	3.0
377.17395	1.7
383.18973	1.6
385.17938	2.6
389.21350	2.1
391.18951	1.8
395.18027	1.8
399.19409	3.3
401.17587	1.6
403.18915	1.9
405.16211	1.4
405.21002	1.6
407.18295	1.3
409.20062	1.4
415.15271	1.8
417.20923	9.9
421.16028	1.2
423.17703	1.6
429.17377	1.0
431.22256	2.9
433.16214	2.4
435.22220	2.5
437.19614	2.3
447.18182	2.3
449.23795	5.0
451.21686	1.1
465.19159	9.4
469.22714	1.5
477.22583	3.1
483.20032	2.9
491.24265	1.3
501.21191	1.0
509.25351	1.7
525.20764	2.1
543.23047	1.3
577.27460	2.5
591.29047	2.7
609.30530	2.7
613.24097	1.0
677.33057	2.2
691.35028	7.3
709.35638	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	709.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.8
51.02384	1.9
52.42440	0.5
53.03732	0.7
53.03952	7.2
55.01659	0.6
55.01879	5.9
55.05513	0.9
65.03936	1.0
67.05524	2.7
69.03433	1.4
69.07067	2.1
71.04971	0.7
71.28431	0.5
77.03931	1.8
79.05482	3.2
81.03421	4.8
81.07047	1.6
90.87441	0.5
91.04896	0.8
91.05478	12.8
93.07038	4.2
95.04976	9.8
95.08627	1.6
103.05472	1.8
105.03396	100.0
105.04539	4.8
105.07034	8.6
106.03731	0.6
107.04953	4.0
107.08580	2.9
108.04494	1.0
109.06525	2.0
109.10130	0.6
115.05437	5.1
116.06242	1.5
117.07031	8.1
118.06515	0.5
119.04976	1.2
119.08594	11.2
121.06499	1.4
121.10133	1.9
123.08055	0.7
124.03938	0.8
128.06187	3.6
129.07011	8.4
130.07799	1.4
131.04944	2.4
131.08572	8.4
132.05775	0.6
133.06535	1.3
133.10139	7.5
135.08083	2.5
141.06987	2.9
142.07768	5.0
143.08594	8.5
144.05731	0.7
145.06493	7.6
145.10129	6.1
147.08055	27.3
147.11681	1.1
149.09683	2.0
153.06960	0.9
154.07765	1.4
155.06105	0.6
155.08565	2.5
156.09369	5.6
157.06477	1.5
157.10136	12.5
158.07278	1.4
159.08069	15.1
159.11710	3.0
161.06026	0.9
161.09621	16.9
163.07564	2.5
163.11195	0.8
165.07051	1.1
166.07707	0.7
167.08578	1.6
168.09338	0.7
169.06471	0.7
169.10152	4.0
170.07265	0.7
170.10899	3.1
171.08066	6.2
171.11694	22.4
173.06041	2.9
173.09639	9.6
173.13269	1.2
175.07553	9.0
175.11232	1.3
177.09161	0.9
179.08531	1.5
180.09270	1.1
181.10048	2.7
182.10966	1.6
183.08060	1.8
183.11691	9.7
184.08871	1.1
184.12202	0.6
185.09619	7.6
185.13255	13.4
187.07573	1.7
187.11192	3.2
189.09167	1.2
191.10681	2.1
192.09367	1.0
193.10193	2.1
194.10947	0.6
195.08101	0.9
195.11693	4.4
196.08821	0.8
197.09641	4.6
197.13231	3.0
198.10461	1.7
199.11203	8.6
200.11917	1.9
201.09119	2.3
201.12766	2.0
203.06990	0.8
203.08716	0.8
203.10609	1.2
205.10141	1.0
206.10880	0.9
207.11760	2.4
209.09590	1.6
209.13354	1.6
211.07742	0.6
211.11209	2.6
213.09155	1.2
213.12717	8.5
215.08813	0.8
215.10732	2.3
215.14319	0.7
217.08591	2.0
217.10399	1.0
217.12305	1.9
219.08182	0.7
219.11772	1.7
221.09712	1.2
221.13235	2.0
223.11195	2.5
223.14850	0.9
225.09146	1.1
225.12785	0.8
227.10664	1.2
229.10155	1.4
229.12282	3.9
230.10898	0.8
230.73625	0.7
231.11742	1.3
231.13788	16.1
232.14517	0.7
233.09529	1.0
233.13339	0.9
234.14172	0.8
235.11151	1.2
235.14838	1.1
237.12837	1.4
239.10622	1.3
241.12270	5.8
243.11716	1.9
243.13942	1.2
244.12473	1.9
245.09648	0.8
245.11725	2.3
245.13655	1.3
246.10356	0.9
247.11214	1.1
247.14981	1.0
248.11916	0.8
249.12729	1.5
251.10730	1.5
251.14380	1.4
253.12358	0.8
254.11014	0.7
255.11598	1.2
256.12549	0.8
257.13461	1.4
258.14139	1.5
259.11096	0.9
259.13239	12.0
260.11868	0.7
261.12790	2.1
265.12399	1.1
269.13327	1.5
270.14026	1.3
271.11151	2.1
271.14850	1.6
272.12054	1.0
272.15891	0.6
273.12817	1.8
273.16422	1.1
274.13455	1.3
275.14243	1.6
277.15979	0.7
279.13885	0.9
283.11218	1.7
283.14926	1.1
284.11942	1.3
285.12701	1.8
285.16318	1.0
286.13550	1.5
287.11212	0.7
287.14212	2.9
289.12372	1.1
289.15750	1.4
296.12115	0.7
297.12625	2.7
298.13513	0.7
299.14264	2.3
299.17691	1.0
300.15231	0.7
301.15979	2.7
303.13959	0.8
303.17355	1.1
311.14291	2.3
312.15054	1.3
313.15955	2.4
314.13196	0.8
314.16669	0.7
315.14130	0.7
315.17557	2.1
317.15714	1.0
317.18903	3.0
326.16641	1.4
327.13931	1.2
327.17499	3.7
328.18222	1.4
329.15417	2.7
329.18939	1.2
331.17050	0.9
331.20657	1.3
339.13776	1.0
341.18979	3.6
343.16840	0.6
343.20581	0.7
345.14917	1.1
345.18582	4.0
347.16461	1.4
354.16467	0.7
357.18567	1.5
359.20050	5.1
363.19928	0.9
369.18442	5.8
375.19672	3.8
377.21167	5.7
387.19559	19.2
405.20602	17.4
423.21826	1.4
447.21481	2.6
465.22610	4.4
509.23102	1.5
516.16516	0.6
527.24457	1.6
569.25403	2.4
587.26563	3.5
691.28833	3.1
709.30035	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	709.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.8
53.03936	3.4
55.01865	2.6
55.05515	19.0
57.36198	1.0
60.04813	1.1
67.05501	3.9
69.03432	1.8
69.07047	1.7
70.77863	1.0
71.55869	1.8
79.05470	4.7
81.03439	2.3
81.07049	4.5
83.04984	28.0
91.05478	9.3
93.07034	6.2
95.04966	5.2
95.08592	2.5
97.06525	2.7
99.04412	1.2
103.05474	46.4
105.03371	4.4
105.07022	9.7
107.04940	3.2
107.08570	3.6
109.06495	3.3
115.05452	3.9
117.07006	9.4
119.04964	1.5
119.08576	10.7
121.06488	4.0
121.10099	2.0
123.04409	2.1
123.08019	1.3
125.05965	2.6
128.06229	2.0
129.06979	4.9
131.04935	100.0
131.08536	6.7
132.05234	2.5
133.06487	5.8
133.10104	5.1
135.04391	1.7
135.08029	3.3
139.07523	1.4
141.06989	1.9
142.07713	2.6
143.08578	7.3
145.06506	5.8
145.10101	4.2
147.08035	4.8
147.11702	1.4
149.05972	4.1
149.09595	2.0
151.07518	1.9
153.05447	2.4
153.07001	1.7
154.07748	2.7
155.08560	4.8
156.09390	5.3
157.10143	9.5
159.08040	6.3
159.11650	3.0
161.05978	3.4
161.09590	2.7
163.07542	1.8
165.06982	3.0
167.07053	2.6
167.08499	1.8
168.09302	1.9
169.06465	1.6
169.10133	10.1
170.10837	4.3
171.08083	5.3
171.11696	16.0
173.05980	3.2
173.09613	4.3
173.13272	1.7
175.07568	3.3
177.05499	1.2
177.09088	4.7
179.07037	2.0
179.08482	2.8
180.09286	2.0
181.10150	5.5
182.10899	2.3
183.08055	3.6
183.11693	13.2
184.08789	1.4
185.05888	1.2
185.09618	4.0
185.13234	9.0
186.10419	1.5
187.07521	2.4
187.11159	4.3
189.09169	1.6
191.10727	1.7
192.09430	1.5
193.10164	5.0
194.10844	2.7
195.06500	5.0
195.08116	1.5
195.11697	4.4
196.08768	1.2
197.09628	14.7
197.13281	4.3
198.10388	2.4
199.07552	1.4
199.11217	9.5
200.11813	2.5
201.09033	2.4
201.12883	2.5
203.06966	1.8
205.08588	3.3
206.10939	1.3
207.11644	4.5
208.08896	1.2
208.12430	2.2
209.09644	3.9
209.13261	2.5
210.10347	1.5
211.07521	1.4
211.11157	7.5
212.08217	1.3
213.09122	2.0
213.12794	8.4
215.10605	2.2
216.09462	1.1
217.08568	11.3
217.10358	1.4
217.12265	1.1
218.10947	1.6
219.11737	3.7
220.12407	2.6
221.09647	2.4
221.13280	3.3
222.10271	1.5
223.11165	3.9
225.09148	2.6
225.12666	2.1
227.06891	1.1
227.10670	8.2
227.14311	1.3
229.12224	3.6
230.10907	2.4
231.10143	3.3
231.13794	1.9
232.12338	1.7
233.13361	2.5
235.11256	2.3
235.14870	2.1
237.09177	1.6
237.12672	3.8
239.10670	3.0
241.12250	2.6
243.13811	3.0
244.12421	2.7
245.13385	1.5
245.15404	4.6
246.14081	1.8
247.11163	2.8
247.14893	2.2
249.12856	2.0
249.16261	1.6
251.10666	2.7
253.12296	3.5
257.13574	2.5
260.11871	1.7
261.12692	3.0
261.16388	2.2
263.10565	1.6
263.14212	2.5
265.12296	2.6
265.15530	1.4
267.13809	2.0
268.12262	1.7
269.11591	2.5
270.13812	1.4
271.13126	2.7
273.12387	1.4
273.14822	2.1
275.10580	2.3
275.14279	2.0
277.15945	2.3
279.13849	1.5
285.12546	1.5
285.16125	1.8
286.13446	1.5
287.12817	3.8
293.11688	1.4
297.15781	1.5
299.13837	1.5
301.15518	2.0
303.13898	1.6
305.15295	2.5
313.15588	1.6
314.12802	1.6
315.13974	1.4
315.17493	1.6
319.17075	1.4
321.14987	2.0
323.16400	1.1
325.14899	1.6
329.15332	1.5
331.16895	2.6
343.16833	3.1
347.16199	1.9
349.17361	1.3
357.18512	3.1
359.16168	1.5
361.17682	1.4
365.17453	1.5
377.17322	1.5
383.18497	1.3
387.15857	1.4
389.16959	1.5
399.19437	1.6
405.16620	1.9
415.14874	1.7
417.20648	3.0
419.18369	1.5
421.16589	3.5
423.18091	1.6
431.22241	2.3
433.16449	3.5
435.17093	1.2
437.19653	2.4
447.17731	2.0
449.23157	2.6
465.18921	13.2
469.22256	1.6
477.22461	1.8
483.19812	5.8
502.38657	1.4
525.21405	1.8
577.27277	1.3
591.28882	1.9
651.96088	1.1
691.34631	5.2
709.36237	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	708.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95139	1.0
53.03949	3.5
55.01883	1.1
55.05269	1.5
55.05516	18.4
57.03435	7.3
57.07087	2.7
60.05647	3.3
63.93367	1.0
65.03941	2.0
67.05508	68.1
69.07069	24.3
70.66488	3.3
71.04986	2.1
71.08601	1.1
72.08154	1.0
79.05497	44.9
81.07063	74.0
83.08627	15.7
83.09110	1.3
85.06542	2.9
87.04456	1.1
91.05489	24.7
93.07047	52.2
94.64500	0.9
95.04975	2.1
95.08614	61.5
97.06537	4.7
97.10175	7.2
99.08143	1.6
100.07635	1.3
105.06383	1.6
105.07039	14.8
107.08601	22.3
109.06519	1.8
109.10170	19.3
111.08096	4.1
111.11736	2.3
117.05488	3.2
117.07022	5.1
119.08594	10.2
121.06496	1.1
121.10156	43.0
121.11041	2.2
122.24191	1.1
123.08057	1.1
123.11712	5.6
125.09636	1.7
131.08572	8.1
133.10139	8.9
135.08133	1.6
135.11696	19.1
137.13274	2.0
139.11205	1.3
145.10118	6.6
147.11697	8.0
149.13240	6.0
151.11201	1.1
159.11702	4.0
161.13263	8.4
163.11171	1.1
163.14850	2.3
165.12779	2.7
168.67859	1.0
173.13295	2.3
175.14854	3.0
187.14835	2.1
201.16469	1.2
239.02415	1.4
243.21182	3.5
249.13229	1.1
259.20471	1.7
261.22153	10.0
261.89566	0.9
279.23209	8.3
303.23093	3.1
318.27994	2.1
321.24170	8.4
333.24402	1.7
335.25818	3.9
337.27197	1.8
351.25262	2.3
353.26865	48.0
354.27332	1.5
377.26962	1.3
395.27933	35.0
396.28497	1.3
397.29544	2.2
430.37924	2.9
448.38635	1.2
596.47528	3.1
613.48114	2.5
673.50372	100.0
674.50775	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	708.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03939	3.8
55.01880	1.7
55.05515	25.1
57.03442	9.5
57.07085	4.3
61.02924	1.9
65.03949	3.5
65.62244	0.7
67.05508	88.9
69.07072	28.4
69.07454	1.2
71.05003	3.3
71.08646	0.8
71.19443	1.1
77.03913	0.9
79.05496	53.0
81.03414	0.7
81.07061	89.8
83.04980	2.9
83.08622	18.8
85.06556	3.7
90.55898	0.7
91.05484	27.2
93.07046	60.3
94.07372	0.9
95.04446	0.7
95.04976	4.2
95.08611	75.0
97.06535	8.1
97.10178	8.5
98.21149	0.7
99.08096	2.1
105.04554	0.8
105.07031	19.1
107.07868	1.4
107.08602	26.5
109.06518	1.3
109.10164	24.3
109.10918	1.2
111.08069	6.7
111.11734	2.6
117.05510	3.2
117.06993	3.4
119.08592	15.6
119.09445	1.0
121.10147	47.7
123.08087	2.9
123.11714	8.2
125.09653	2.6
131.08571	8.6
133.10138	11.8
135.08142	0.8
135.11702	22.5
137.09654	1.0
137.13266	2.8
139.11197	1.7
145.10104	5.1
147.11702	8.8
149.13274	7.5
151.11200	1.6
151.14825	1.7
153.12718	1.0
159.11707	4.3
161.13283	7.0
163.14876	2.5
165.12804	1.6
171.81563	0.7
173.13280	3.2
175.14883	2.3
177.16353	0.7
179.14362	1.7
181.12325	0.7
184.06912	0.7
185.13345	0.8
187.14868	2.2
195.13708	0.7
201.16510	1.1
231.81912	0.7
241.19533	1.0
242.11505	0.7
243.21117	4.3
245.22699	0.7
259.20581	2.4
261.22171	12.3
263.23724	1.6
277.21851	1.8
279.23187	10.6
281.24753	0.8
303.23175	2.0
321.24316	11.1
323.25821	2.0
327.07843	1.2
333.24323	2.1
335.25775	3.7
337.27417	1.5
351.25296	5.4
353.26871	100.0
354.27020	1.5
370.66315	0.7
377.26932	1.2
383.14059	1.1
395.27936	69.3
396.28445	1.5
397.29269	5.9
403.19266	0.7
418.02783	0.7
423.27319	0.7
439.20532	1.9
495.26538	1.2
551.32404	0.8
596.48230	0.9
607.39172	1.3
613.48053	1.9
655.49622	0.8
663.45398	1.6
673.50385	90.9
674.50800	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	708.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03878	0.9
53.03945	6.3
55.01872	2.6
55.05273	1.5
55.05516	19.2
57.03437	7.3
57.07072	1.2
58.66238	1.3
65.03929	4.9
67.05510	80.7
69.07079	20.9
69.20105	11.6
71.05014	9.4
79.05499	70.8
81.03390	1.9
81.07063	91.8
83.04968	3.9
83.08627	10.9
85.06546	6.1
91.05489	100.0
92.05804	1.1
93.07052	69.4
94.70585	1.3
95.04983	8.2
95.08613	44.6
97.06538	11.0
97.10166	5.7
99.08086	3.5
103.05492	1.2
105.04530	2.9
105.07037	51.7
107.04951	4.9
107.07864	1.8
107.08600	32.4
109.06519	4.8
109.10165	14.3
111.08099	8.4
115.05451	4.4
116.06243	1.8
117.07024	57.8
119.08590	40.8
121.06505	4.5
121.09329	2.2
121.10157	33.8
123.08112	5.8
123.11723	2.8
124.00578	1.2
125.09624	3.7
128.06247	1.6
129.06998	15.0
131.08575	58.9
133.06516	1.7
133.10135	39.9
135.08063	17.5
135.11708	23.5
137.09631	5.0
141.06960	5.8
142.07867	1.4
143.08569	13.1
144.09302	1.4
145.10133	35.4
146.08160	1.5
147.08043	2.4
147.11700	21.2
149.09619	11.9
149.13249	8.4
151.11180	1.7
153.06909	1.6
155.08636	6.3
157.10161	13.9
159.10448	2.2
159.11702	31.3
161.09615	3.4
161.13283	8.2
163.11172	9.1
165.12785	2.5
169.10158	6.1
171.11716	12.9
173.13278	10.8
175.11118	2.4
177.12778	17.3
183.11725	5.6
185.13271	3.1
187.14816	2.3
189.12726	1.6
191.14357	1.9
193.12181	1.9
195.13780	2.8
197.13237	3.8
213.16435	1.9
215.14273	1.1
229.16000	2.2
229.19482	4.9
231.17477	3.1
239.17979	14.0
257.19043	37.4
259.20602	3.0
273.18491	3.9
275.20078	63.6
277.88736	1.3
293.21045	2.9
305.21179	1.6
313.21530	3.8
323.22247	2.3
331.22665	26.0
347.22327	1.2
349.23767	74.4
350.24130	1.4
351.25409	1.7
363.25250	4.7
367.24820	53.9
368.24966	1.6
381.26349	14.1
597.41345	3.5
605.41992	4.2
615.42633	24.2
623.43042	17.8
629.43799	2.2
641.33582	1.5
641.44165	27.9
673.46893	19.5
674.47101	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.8
55.01860	2.6
55.05521	18.4
57.03427	6.4
63.88818	1.3
64.17683	1.5
65.03932	5.2
67.05509	65.8
69.03413	2.3
69.06786	1.4
69.07074	15.4
71.05002	11.0
79.05499	64.4
81.03444	1.4
81.07063	67.5
83.04990	6.9
83.08630	10.2
85.06523	3.8
91.05487	100.0
93.07050	57.7
95.04974	7.0
95.08611	37.7
97.06517	8.1
97.10151	2.7
101.06007	1.6
105.04525	2.7
105.07038	49.3
107.04960	2.9
107.08603	34.3
109.06509	2.9
109.10178	14.1
111.08071	4.1
114.05318	1.5
115.05441	6.1
116.06259	1.9
117.06223	2.6
117.07023	47.5
119.08585	38.6
121.06499	1.3
121.10153	30.0
123.08070	3.5
123.11707	4.6
125.09700	2.6
127.07552	1.5
128.06233	3.1
129.07008	13.2
130.07828	1.6
131.08586	47.6
133.10141	33.3
135.08018	4.8
135.11687	14.9
137.09636	3.9
138.47853	1.4
140.57323	1.3
141.06996	5.2
143.08551	11.0
145.09044	2.6
145.10130	30.5
147.11711	15.8
149.09599	5.5
149.13281	5.0
151.11182	2.1
155.08545	6.1
157.10146	11.2
159.11716	14.0
161.09595	2.0
161.13286	7.8
163.11220	2.3
165.50725	1.5
167.08551	1.7
169.10129	5.0
171.11690	12.9
173.13225	5.5
175.11110	2.1
177.12791	3.6
181.10211	2.7
181.12212	1.4
183.11707	4.3
185.13274	4.6
187.14795	2.1
195.11803	2.1
195.13968	1.4
197.13293	4.2
211.14839	4.8
213.16432	4.3
229.19626	3.1
231.17653	3.8
238.38976	1.3
239.17903	6.9
240.99071	1.5
249.18517	4.3
257.19025	24.1
259.20645	3.5
269.17508	1.8
273.18436	2.1
275.17307	2.0
275.20090	27.4
287.20218	1.7
313.21735	2.8
323.22162	10.3
331.22662	16.8
347.22098	2.9
349.23746	21.3
363.25156	1.9
365.23749	1.4
367.24866	15.5
381.26349	14.3
447.67081	1.7
485.72516	1.7
513.37518	1.8
545.38641	1.8
550.71295	1.6
579.40320	6.6
597.41595	12.6
605.41833	6.3
615.42670	7.4
623.43030	11.0
629.44293	14.0
641.44189	6.9
655.45636	4.1
673.47253	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	708.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45002	2.0
53.03934	5.6
55.01863	3.3
55.05515	17.4
57.03433	5.5
57.07097	2.3
65.03924	5.5
67.05509	76.0
69.07070	19.1
71.04987	9.3
78.32497	2.0
79.05064	3.9
79.05499	63.1
81.03411	5.8
81.07062	81.8
83.04988	4.3
83.08622	15.5
85.06538	6.1
91.05487	100.0
92.05817	2.0
93.07049	62.3
95.04976	4.8
95.08613	37.7
97.06559	13.2
97.10172	6.1
97.40279	2.1
105.06384	3.6
105.07039	43.1
107.04928	4.7
107.08598	29.1
109.06513	7.9
109.10168	12.7
111.08084	8.0
113.09631	2.4
115.05425	3.2
117.06229	3.4
117.07023	51.9
117.87414	2.1
119.08582	44.8
121.06520	4.1
121.10149	30.1
123.08064	6.7
123.11719	2.9
125.09612	5.2
128.06241	3.3
129.06987	13.0
131.08572	51.0
133.06493	3.0
133.10144	32.6
135.08060	11.9
135.11702	14.8
137.05998	4.7
137.09636	3.1
141.06966	6.2
143.08542	11.5
145.10139	31.9
147.11710	19.4
149.09612	6.8
149.13240	6.7
151.11150	2.8
155.08597	4.0
157.10136	8.8
159.11705	25.4
161.09627	3.4
161.13252	8.0
163.11166	5.6
163.58516	1.9
165.12767	2.7
165.69484	1.9
171.11696	15.1
173.09555	2.3
173.13266	7.9
175.11031	2.4
177.12726	13.6
183.11679	4.4
185.13300	4.0
190.96866	1.8
191.14377	2.4
194.38300	2.6
197.13260	3.2
207.73090	2.4
239.17998	10.6
241.08167	2.4
257.19016	26.2
259.20551	2.8
273.18546	3.2
275.20078	47.8
277.21439	3.9
331.22711	21.6
347.22110	3.3
349.23767	55.0
351.25189	3.4
367.24805	35.1
381.26443	10.1
406.89520	2.3
513.36914	2.5
615.42603	17.6
623.42981	15.6
629.44458	2.7
641.44305	18.9
655.45319	2.5
673.46887	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	708.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03948	3.1
55.01868	2.0
55.05517	6.7
57.03439	9.1
57.07076	1.0
60.93380	0.6
61.02918	0.8
65.03946	1.0
67.05510	28.0
69.03408	1.7
69.07072	8.6
70.06603	1.3
71.04996	3.7
79.05064	1.1
79.05497	16.8
80.72098	0.7
81.03421	40.4
81.07062	33.6
83.04982	5.4
83.08621	14.2
83.09114	0.8
85.02904	1.8
85.06532	2.3
89.85472	0.6
91.05490	13.0
93.07048	24.8
95.04977	13.9
95.08616	9.3
97.02905	1.1
97.06537	5.3
97.10163	2.1
98.06059	1.7
98.20628	1.1
99.08080	1.4
103.05482	5.2
105.03413	5.4
105.04509	0.9
105.07043	7.9
107.04969	3.9
107.08604	13.8
109.06512	2.6
109.10171	2.7
111.04485	1.2
111.08086	6.7
115.05460	0.8
117.07034	4.6
119.04934	0.9
119.08602	7.5
121.06526	2.1
121.10150	12.0
123.08107	0.7
123.11739	1.6
124.07618	0.9
125.09605	0.8
127.76649	0.6
129.07033	4.9
131.04938	8.5
131.08580	6.7
132.05283	1.9
133.06497	2.5
133.10115	6.2
135.08041	0.8
135.11697	4.0
137.09663	0.7
138.43704	0.5
142.07782	1.3
143.08554	1.5
145.06473	0.8
145.10135	1.5
147.07997	2.8
147.11679	4.9
149.09671	3.4
149.13261	14.6
151.11136	1.0
155.08606	0.9
156.09297	0.8
157.10153	6.3
159.08113	0.8
159.11682	5.0
161.05963	0.9
163.11153	1.7
165.12798	1.0
169.10190	1.1
171.08022	0.8
171.11673	1.4
172.12057	0.7
175.11177	6.3
177.12732	3.0
181.57487	0.6
183.11635	1.5
185.13249	1.2
193.10442	0.9
193.12238	14.1
195.11977	0.9
195.13840	4.1
198.10252	0.6
199.11244	0.8
211.11382	0.9
211.13167	2.9
213.12764	1.4
219.11673	0.7
221.13419	0.8
244.12543	0.7
249.14842	1.0
259.15137	0.7
267.15933	45.0
268.16379	1.1
269.17493	49.9
270.17703	0.7
271.10657	0.6
275.17899	1.0
281.08212	0.7
285.17093	0.9
286.17517	0.6
313.19537	1.0
369.24231	0.8
405.27295	0.6
435.27667	4.5
443.28003	1.6
444.25275	1.0
446.23312	1.7
453.28549	2.6
461.29010	100.0
462.29568	5.2
472.24316	0.7
479.30127	4.5
490.25778	0.9
497.89584	0.6
503.30292	0.9
508.27762	0.7
511.33212	4.1
569.30969	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	6.7
55.01883	7.1
55.05513	29.1
55.05752	2.8
57.03445	13.5
57.07063	2.3
59.67047	2.0
61.02939	6.5
65.03937	4.2
65.94509	1.8
67.05511	75.6
67.05880	3.8
69.03429	9.5
69.07076	15.1
70.06564	2.2
70.64676	1.9
71.05001	27.0
71.54955	2.6
73.02950	3.1
74.09755	5.1
79.05500	35.3
81.03426	66.1
81.07064	100.0
83.04989	27.4
83.08627	30.4
85.02917	31.4
85.06575	9.5
85.39945	1.8
91.04001	2.4
91.05489	49.8
91.06007	3.4
93.07047	32.7
95.04975	31.1
95.08621	22.6
96.39232	1.7
97.02912	8.5
97.06540	9.3
97.10217	8.3
99.04494	3.2
103.05482	12.5
104.05820	3.0
105.03391	24.4
105.07044	40.3
106.03731	3.7
107.04948	10.3
107.08608	23.4
109.02927	7.7
109.06544	5.2
109.10175	26.9
111.04456	3.1
111.08085	14.8
113.06042	3.2
115.05544	5.9
117.07034	10.6
119.08595	30.3
121.06548	5.4
121.10156	13.3
123.08086	5.6
123.11717	14.6
124.15099	2.0
125.09699	5.0
127.03948	6.2
128.06332	2.4
129.07027	11.8
131.04944	25.0
131.08580	22.1
132.05309	3.1
133.06525	5.8
133.10135	33.1
135.08119	4.1
135.11739	7.5
137.09613	4.3
140.07045	4.5
142.07811	5.0
143.08588	5.1
145.05008	2.6
145.06506	3.7
145.10172	9.8
147.08067	11.0
147.11699	15.9
149.09660	10.5
149.13322	9.1
151.11247	8.3
155.08585	2.6
157.10135	22.9
159.08174	3.7
159.11737	8.5
161.09650	3.0
163.07529	2.8
163.11250	6.3
165.09169	2.7
165.12836	5.2
168.06639	7.9
169.10147	4.5
171.08150	2.8
171.11714	12.4
173.09607	3.8
173.11855	3.7
173.13307	2.7
175.07582	2.6
175.11195	16.9
176.07922	2.2
177.12807	2.7
180.09196	2.0
183.11768	10.4
183.13860	2.7
185.13324	7.5
187.11331	4.1
187.13263	2.2
193.12260	48.5
195.11662	3.1
195.13786	3.1
197.09729	3.5
197.13315	3.5
199.11287	4.1
205.07153	6.1
207.11636	2.8
211.11357	4.6
211.13293	63.3
211.15233	4.5
213.12779	6.0
221.13347	2.1
227.12915	3.4
229.12302	3.3
229.14314	15.3
231.14149	2.4
234.13852	2.9
236.15118	2.1
243.13828	2.7
243.16045	4.9
245.15454	4.1
247.14809	4.2
260.15540	2.4
261.16479	2.5
267.15952	32.2
269.17560	17.8
270.14307	2.3
275.17752	2.9
283.15335	7.8
284.15668	2.1
285.16965	43.1
286.17352	2.4
301.16501	5.9
301.20135	16.6
311.18463	2.0
315.13672	2.2
319.16876	2.4
331.16800	2.5
349.23807	22.8
359.16202	2.8
373.18237	4.4
389.16757	2.2
391.19080	3.8
405.20840	2.8
409.20132	2.3
409.62204	2.3
415.19119	2.6
419.18158	2.3
423.21457	2.3
433.20450	3.3
435.27359	29.8
439.26886	20.6
443.27768	3.1
451.21289	6.4
453.28516	79.1
461.29031	61.4
467.29974	6.7
469.22235	4.2
475.26819	4.0
479.30142	55.3
487.34338	4.8
493.27594	3.6
511.33289	68.4
512.33405	3.6
529.29974	5.4
583.70953	2.1
673.74512	2.2
708.30023	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	708.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	15.5
55.01878	16.8
55.05509	84.6
57.03431	24.0
61.02896	7.4
65.03967	9.4
67.05516	53.5
69.03432	21.1
69.07065	20.1
70.06597	8.4
71.04996	10.9
71.56384	7.0
79.05495	63.8
81.03431	100.0
81.07060	56.6
83.04984	96.1
83.08619	31.5
85.02904	30.3
85.06548	8.4
86.09707	13.8
86.20423	6.3
91.05486	71.9
93.07060	55.9
95.04967	45.8
95.08611	32.1
97.02871	9.9
97.06537	20.0
97.10154	8.3
98.21535	6.3
99.04474	7.2
103.05467	18.8
105.03407	6.6
105.07025	51.6
107.04952	18.0
107.08598	43.2
109.06513	15.8
109.10172	29.5
111.04443	18.3
117.07019	31.9
119.08576	55.3
120.08092	7.8
120.11219	6.9
121.06532	16.6
121.10156	30.9
123.04367	8.8
123.08056	8.2
125.00014	8.0
125.09650	11.4
129.07028	26.1
131.04947	44.4
131.08583	29.9
132.05276	12.4
133.06480	7.7
133.10144	32.0
135.08064	8.7
135.11694	28.3
137.06017	8.4
141.06914	7.7
142.07747	10.2
143.08554	21.3
144.06560	21.1
145.06502	23.9
145.10133	36.6
146.08153	9.9
147.08038	16.7
147.11670	22.9
149.09619	22.7
155.08578	16.9
156.09300	9.3
157.10106	30.9
159.08051	14.1
159.11766	11.3
161.06020	14.4
161.09657	14.0
161.13336	7.7
163.07562	10.6
163.11223	27.3
169.10141	14.2
171.08083	16.3
171.11700	32.7
173.09647	21.7
175.07591	7.9
175.11229	24.5
179.10661	7.6
181.10117	7.8
181.12212	11.3
183.11720	36.1
184.07346	41.4
185.09668	12.9
185.13309	32.8
187.07567	8.0
187.11211	11.8
191.10721	14.8
193.10132	11.0
193.12262	35.5
195.11751	16.8
199.11189	18.0
201.12650	6.8
206.38718	7.7
209.11671	14.7
211.11368	12.7
211.13289	38.8
213.12778	26.7
227.12720	17.2
229.14346	17.1
233.13147	7.2
245.13216	9.1
245.15404	16.9
247.10985	7.5
255.16045	8.5
259.15134	7.3
267.15958	44.5
273.14935	13.2
283.15271	36.6
285.16724	25.6
301.16327	19.7
331.16962	11.2
343.16946	10.2
357.18442	8.0
375.19891	9.5
383.21777	8.7
385.17487	11.9
388.23407	7.4
401.22620	6.7
402.94299	7.7
403.19110	21.9
405.20370	11.9
417.20627	24.8
421.20175	10.2
421.25769	10.8
425.21970	8.1
435.21768	17.7
453.22144	8.7
457.25510	14.4
461.29044	9.0
463.21381	9.1
475.27130	60.4
493.27936	59.2
511.28952	55.0
595.28540	9.0
637.29633	9.2
690.33942	9.7
708.33813	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	708.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	15.5
55.01878	16.8
55.05509	84.6
57.03431	24.0
61.02896	7.4
65.03967	9.4
67.05516	53.5
69.03432	21.1
69.07065	20.1
70.06597	8.4
71.04996	10.9
71.56384	7.0
79.05495	63.8
81.03431	100.0
81.07060	56.6
83.04984	96.1
83.08619	31.5
85.02904	30.3
85.06548	8.4
86.09707	13.8
86.20423	6.3
91.05486	71.9
93.07060	55.9
95.04967	45.8
95.08611	32.1
97.02871	9.9
97.06537	20.0
97.10154	8.3
98.21535	6.3
99.04474	7.2
103.05467	18.8
105.03407	6.6
105.07025	51.6
107.04952	18.0
107.08598	43.2
109.06513	15.8
109.10172	29.5
111.04443	18.3
117.07019	31.9
119.08576	55.3
120.08092	7.8
120.11219	6.9
121.06532	16.6
121.10156	30.9
123.04367	8.8
123.08056	8.2
125.00014	8.0
125.09650	11.4
129.07028	26.1
131.04947	44.4
131.08583	29.9
132.05276	12.4
133.06480	7.7
133.10144	32.0
135.08064	8.7
135.11694	28.3
137.06017	8.4
141.06914	7.7
142.07747	10.2
143.08554	21.3
144.06560	21.1
145.06502	23.9
145.10133	36.6
146.08153	9.9
147.08038	16.7
147.11670	22.9
149.09619	22.7
155.08578	16.9
156.09300	9.3
157.10106	30.9
159.08051	14.1
159.11766	11.3
161.06020	14.4
161.09657	14.0
161.13336	7.7
163.07562	10.6
163.11223	27.3
169.10141	14.2
171.08083	16.3
171.11700	32.7
173.09647	21.7
175.07591	7.9
175.11229	24.5
179.10661	7.6
181.10117	7.8
181.12212	11.3
183.11720	36.1
184.07346	41.4
185.09668	12.9
185.13309	32.8
187.07567	8.0
187.11211	11.8
191.10721	14.8
193.10132	11.0
193.12262	35.5
195.11751	16.8
199.11189	18.0
201.12650	6.8
206.38718	7.7
209.11671	14.7
211.11368	12.7
211.13289	38.8
213.12778	26.7
227.12720	17.2
229.14346	17.1
233.13147	7.2
245.13216	9.1
245.15404	16.9
247.10985	7.5
255.16045	8.5
259.15134	7.3
267.15958	44.5
273.14935	13.2
283.15271	36.6
285.16724	25.6
301.16327	19.7
331.16962	11.2
343.16946	10.2
357.18442	8.0
375.19891	9.5
383.21777	8.7
385.17487	11.9
388.23407	7.4
401.22620	6.7
402.94299	7.7
403.19110	21.9
405.20370	11.9
417.20627	24.8
421.20175	10.2
421.25769	10.8
425.21970	8.1
435.21768	17.7
453.22144	8.7
457.25510	14.4
461.29044	9.0
463.21381	9.1
475.27130	60.4
493.27936	59.2
511.28952	55.0
595.28540	9.0
637.29633	9.2
690.33942	9.7
708.33813	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	708.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63115	0.8
67.05500	3.7
69.07069	1.2
71.55274	1.5
72.27617	0.8
79.05493	2.7
81.03426	1.6
81.07057	4.3
81.57256	0.9
87.04478	1.9
91.05496	4.5
93.07053	3.5
95.08597	2.7
105.07045	1.8
106.30212	0.9
107.08629	2.0
109.10174	2.0
117.07055	1.9
119.08585	1.8
121.10131	1.7
123.08043	1.1
131.08609	1.6
133.10165	1.3
135.11688	1.1
145.10181	1.7
335.25934	1.5
400.16791	1.2
401.17453	1.3
413.17630	2.2
414.18646	2.2
415.19153	3.2
427.19373	2.7
428.19910	2.2
429.20944	14.0
430.21692	2.5
442.21579	2.4
443.22525	8.3
444.23001	4.1
444.28668	1.1
456.19064	1.3
457.24069	3.1
458.25027	4.8
459.21631	6.2
470.21030	1.4
472.22571	6.5
473.23267	1.4
485.23483	9.9
486.24442	1.8
503.24451	1.2
513.22791	2.1
514.23633	1.4
517.25916	5.1
529.25946	1.6
529.38959	1.8
531.75665	1.0
545.25531	62.4
546.25867	2.3
573.24829	14.6
596.47479	1.5
605.27631	100.0
606.27673	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	708.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53567	0.7
55.05490	1.2
67.05491	3.9
69.07035	0.9
71.55698	0.8
79.05479	3.0
81.07043	2.6
87.04463	1.8
91.05480	2.1
93.07043	2.2
95.08591	1.4
105.06994	1.5
107.08562	1.4
109.10121	1.2
117.06977	1.6
119.08592	1.5
131.08556	1.6
135.11612	1.0
143.08488	0.9
145.10083	1.4
147.11613	0.8
227.12659	0.8
245.13773	0.8
335.25717	1.6
400.16840	0.9
404.20901	1.2
413.17816	1.4
414.18387	2.8
415.19095	3.7
427.19107	2.3
428.19812	2.8
429.15866	1.0
429.20911	13.4
430.21616	1.9
442.21640	1.5
443.22488	8.1
444.22861	3.2
455.18378	1.4
456.19595	1.6
457.23825	3.2
458.24960	5.4
459.21832	5.1
471.22052	1.7
472.22488	5.1
473.23355	1.3
483.18344	1.4
485.23636	8.3
486.19580	0.7
486.24332	2.2
487.21475	1.0
493.26300	0.9
503.24765	0.9
513.22754	2.6
517.26019	5.8
529.26154	1.1
545.25500	64.2
546.26086	2.1
573.24982	13.5
585.58514	0.8
605.27594	100.0
606.27448	3.8
708.33954	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23005	2.3
51.02389	2.4
53.03936	7.5
55.01869	5.0
55.05304	3.0
55.05516	31.2
57.03417	2.2
67.05502	7.3
69.03431	5.9
69.22970	19.4
78.34361	2.5
79.05512	15.9
81.03397	7.8
81.07053	6.4
83.04552	3.6
83.04995	42.9
83.08648	3.0
91.05488	27.0
92.05837	3.4
93.07035	13.0
95.04962	11.9
95.08605	5.4
103.05463	17.8
105.03403	39.9
105.07044	43.1
107.04976	3.0
107.08594	11.0
109.06502	6.5
109.10202	3.1
115.05464	8.9
117.07034	18.1
119.08593	38.0
120.69198	2.7
121.06528	7.3
121.10125	4.5
123.04399	2.9
128.06226	8.5
129.07021	13.7
131.04926	22.7
131.08559	24.2
133.06522	18.1
133.10139	45.4
135.08041	5.5
141.06963	6.2
142.07788	12.5
143.08580	20.9
144.03360	2.5
145.06511	7.5
145.10141	16.3
147.08060	23.9
147.11726	3.3
149.09622	10.1
153.06996	4.1
155.08534	10.9
156.09340	16.8
157.06561	4.7
157.10149	46.0
159.04459	4.8
159.08044	16.4
159.11707	10.8
161.05980	22.4
161.09621	12.3
163.04643	3.4
163.07571	5.2
163.11156	5.7
165.06982	4.3
167.08563	6.9
168.09344	3.8
169.10146	23.9
170.10957	17.4
171.08047	11.3
171.11699	64.1
172.08873	3.5
173.06136	3.5
173.09651	16.7
173.13274	6.1
175.07603	17.1
175.11276	4.7
177.09094	6.0
179.07059	6.5
179.08531	5.1
181.10155	10.4
182.10869	4.1
183.08087	4.6
183.11722	58.9
184.08739	3.5
185.09671	17.6
185.13269	42.1
187.07530	8.2
187.11189	11.5
189.05379	3.1
189.09109	3.5
192.09373	5.7
193.08548	6.7
193.10129	7.8
193.12247	3.2
195.08208	3.2
195.11722	11.6
197.09665	14.0
197.13351	14.2
198.10330	4.4
199.07602	6.4
199.11163	21.7
200.11980	6.0
201.09114	5.7
201.12723	7.1
204.09337	2.8
205.10236	4.5
206.10855	6.6
207.11662	9.5
208.12517	3.0
209.09663	7.5
209.13274	9.7
211.07417	3.0
211.11166	19.8
213.09166	11.0
213.12723	38.8
215.10732	4.8
217.10294	5.1
217.12189	6.5
218.10706	3.6
219.11731	8.9
220.12471	4.8
221.13268	8.8
223.11319	5.5
225.09106	6.4
227.10701	6.5
229.12204	4.0
230.10934	5.1
231.11703	7.7
231.13708	5.2
232.12566	5.8
233.09750	4.5
233.13258	10.4
234.13950	3.3
235.11139	4.7
235.14856	8.6
236.11794	3.1
237.12720	6.1
239.10762	5.4
241.12354	12.6
243.11761	4.2
243.13808	16.4
244.12492	9.1
245.13309	5.8
245.15387	25.9
246.14044	8.2
247.11165	4.1
247.14885	7.3
249.12904	5.1
251.10684	9.3
255.11626	3.6
255.13834	7.6
256.12421	7.8
257.13354	13.0
258.14075	4.8
259.14957	4.0
260.11914	3.7
260.15720	4.7
261.12756	5.0
263.14169	3.3
263.16531	4.2
269.13303	12.5
270.14017	10.2
271.14688	13.5
272.11813	4.0
272.15405	4.3
273.12314	4.1
273.14795	28.1
275.10764	2.9
275.14270	6.2
280.12430	3.0
283.11435	2.8
283.14893	10.4
284.15649	9.0
285.12827	6.2
285.16345	13.2
286.13580	3.9
287.14319	7.2
287.17725	3.6
289.15918	4.4
291.16101	3.8
293.15448	4.1
294.14111	3.6
295.14694	3.1
297.12866	8.4
298.13458	8.6
299.14450	5.5
299.17914	8.8
301.12503	3.7
301.15775	7.8
303.13730	4.5
303.17352	7.3
307.16833	3.0
311.14331	5.5
312.15302	5.2
313.15976	13.1
315.13672	6.7
315.17200	3.6
316.14597	3.6
317.15350	6.3
317.18967	7.0
319.16785	6.2
325.12341	5.0
326.13052	2.9
327.13763	5.1
327.17401	11.0
329.15390	13.7
330.16016	3.2
331.16876	24.6
333.18423	3.8
340.14447	7.0
341.15396	7.4
343.13086	3.5
343.16956	6.9
345.18353	18.4
347.16425	8.6
349.17908	7.8
355.17065	22.5
359.16360	18.7
359.20151	3.5
361.18030	3.8
363.19577	6.4
371.16287	3.2
373.18005	35.0
377.17459	15.3
383.16348	3.9
387.19644	6.2
389.17294	6.1
391.19089	25.0
396.73395	3.2
401.17551	27.1
403.18835	8.4
405.20584	23.0
415.19034	15.6
419.18558	27.0
421.20065	11.4
423.21765	17.1
433.20132	74.9
437.19534	4.3
439.20929	6.4
451.21210	100.0
461.28098	5.5
469.22635	18.0
478.29086	3.6
533.25366	5.8
551.26440	15.3
569.26862	3.8
573.24884	4.9
649.29688	4.0
655.27789	3.3
659.28510	4.1
673.29645	5.3
691.30981	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.3
55.01871	7.9
55.05508	21.5
57.03436	11.5
59.98123	2.5
61.02918	3.7
65.03954	8.0
67.05512	34.1
68.05050	4.7
69.03433	35.5
69.07059	13.2
70.06599	31.4
71.04987	7.5
71.44719	2.6
71.55799	4.3
72.08146	8.1
73.02928	3.3
79.05495	36.2
80.05003	3.4
81.03424	53.8
81.07056	30.8
82.02937	8.3
82.06592	7.3
83.04990	19.9
83.08615	16.6
84.04497	5.1
85.02921	14.0
85.06531	3.0
86.06068	28.6
86.09685	6.0
87.04484	18.4
91.05493	40.6
93.03376	3.9
93.07047	38.2
95.04448	3.2
95.04974	26.1
95.08609	28.6
96.04488	3.7
97.02878	9.4
97.06520	10.9
97.10142	6.5
98.06067	58.8
103.05467	4.4
104.07142	4.7
105.03378	3.9
105.07037	40.1
107.04977	16.5
107.08598	27.1
108.08118	4.4
109.02891	6.7
109.06547	7.5
109.10159	9.4
110.06058	5.4
110.30817	2.6
111.04440	6.0
111.08095	5.8
114.05518	7.2
115.05424	14.1
116.06269	5.1
116.07035	6.6
117.07024	41.3
117.34331	2.6
118.06552	5.2
118.59621	2.6
119.08581	37.3
120.08134	3.0
120.08957	3.1
121.02874	5.3
121.06496	11.2
121.10176	24.5
121.99148	2.6
122.06039	17.1
122.09656	8.7
122.10475	4.5
123.08046	7.1
124.07575	10.4
125.05943	3.8
126.05554	3.1
127.03904	6.1
128.06207	10.1
129.06989	23.3
130.07803	6.6
131.04947	5.7
131.07292	2.6
131.07645	3.0
131.08582	27.2
132.08064	7.7
133.06496	10.2
133.10135	19.6
135.08057	10.5
135.11671	19.2
136.07578	4.5
137.09537	3.1
139.07515	4.1
141.06992	6.6
142.05008	3.1
142.07677	6.2
143.08594	27.9
144.06587	28.7
144.07697	4.3
145.06511	9.9
145.10132	54.3
146.07152	3.3
146.09546	4.9
147.08041	11.3
147.11690	11.7
149.09590	6.8
150.05508	12.9
150.09151	49.3
152.07057	2.9
155.08549	12.9
156.09290	9.9
157.10124	25.5
158.07274	5.8
158.10924	2.7
159.08069	14.1
159.11679	8.7
160.07556	4.2
161.06009	6.8
161.09587	7.3
163.11200	38.1
165.07011	3.7
165.09132	7.1
167.08492	5.1
168.06570	9.2
169.06523	4.9
169.10179	6.8
170.10826	3.3
171.08063	16.6
171.11681	23.0
173.09631	34.0
173.13304	6.4
175.07526	3.1
175.11209	10.3
178.08624	35.6
179.08479	4.2
181.10130	7.6
181.12221	8.6
182.10849	3.9
183.08052	7.7
183.10196	2.9
183.11642	16.7
184.07379	9.6
184.08862	3.2
185.09593	14.2
185.13246	9.6
186.10429	3.6
187.11215	17.2
189.09100	3.1
191.10669	9.7
193.10182	5.0
193.12238	19.9
195.11662	8.4
196.09721	5.9
196.12219	3.8
197.09662	7.0
197.13356	5.9
198.10368	3.4
199.11177	39.8
199.14784	2.8
200.10648	18.5
201.09129	9.6
201.12724	9.5
202.12285	11.5
203.10654	19.7
205.12184	5.2
206.08121	44.6
207.11757	5.1
208.12392	3.4
209.09789	4.0
209.11559	7.4
209.13335	4.9
211.11166	10.6
211.13129	4.4
212.15111	3.7
213.09320	3.8
213.12692	10.6
215.10638	5.7
217.12018	6.2
218.72142	3.0
221.13263	3.3
223.11082	5.4
223.14983	3.9
224.09178	26.4
225.12672	3.7
227.10724	5.9
227.12781	25.3
228.10271	15.0
229.14369	3.3
230.11839	16.6
231.13834	4.5
233.11565	5.7
233.13544	4.8
234.10326	3.4
237.12732	9.0
239.10638	3.1
242.10318	5.3
243.11894	3.4
245.11705	11.8
246.11343	18.5
247.11160	5.1
247.13324	4.4
248.12904	20.4
249.12650	4.5
251.14314	4.1
256.13388	4.0
259.13187	24.8
262.66486	3.3
265.12088	4.4
267.13403	4.7
267.15961	63.2
273.12744	3.7
273.16342	3.8
274.14236	7.3
283.12836	4.2
283.15475	44.0
285.12897	4.4
285.16974	6.9
297.15073	3.8
301.16183	10.2
302.13773	9.0
305.13940	8.3
317.19049	4.3
320.14850	5.5
343.16714	5.0
368.25745	21.1
371.16492	5.3
386.26923	13.6
396.26385	5.3
403.17459	3.2
404.27786	5.4
424.25735	5.6
428.21979	7.8
446.23157	8.9
456.21591	10.1
460.30841	17.6
461.29150	3.5
464.24417	3.2
474.22888	19.1
475.26981	68.4
488.24146	7.0
490.22421	5.9
492.23782	19.2
493.28024	25.1
502.22244	4.8
506.25351	11.2
508.23401	4.0
510.24957	3.2
511.28766	14.5
520.23169	9.3
524.26410	4.3
534.25122	3.8
538.23999	4.8
546.34125	11.9
552.26025	3.5
570.26367	4.1
604.31427	3.2
612.28107	6.7
708.40118	100.0
709.40454	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	708.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.2
53.54311	6.7
55.01874	16.0
55.05512	65.3
65.03960	7.9
67.05500	32.8
69.03411	11.2
71.55148	10.6
79.05483	29.4
79.16374	7.2
81.03405	27.0
81.07059	22.3
81.50208	6.8
83.04989	78.4
83.08595	10.5
87.76269	6.1
88.75802	7.0
91.05476	40.7
91.67058	6.6
93.07031	14.0
95.04961	57.7
95.08610	10.6
103.05451	33.3
105.03378	12.5
105.07039	53.7
107.04946	12.8
107.08639	11.2
109.06532	18.5
109.10106	9.7
109.64973	6.6
115.05455	8.1
117.06979	12.6
119.08596	23.1
121.06453	11.5
123.08057	12.9
129.06995	20.6
131.04919	56.4
131.08583	16.8
133.06497	41.1
133.10146	12.4
135.08043	23.2
137.05927	16.8
143.08528	21.8
145.06447	20.5
145.10115	25.5
147.08015	12.1
149.05952	9.0
149.09595	8.9
154.07735	9.9
155.08438	12.9
156.09279	12.2
157.10152	25.5
159.08067	21.3
159.11731	9.9
161.05992	65.4
161.09593	11.9
163.07570	28.7
167.08594	9.4
169.10120	21.9
170.10841	16.7
171.08047	14.6
171.11716	16.4
173.05925	12.6
173.09628	23.9
175.07590	9.2
175.11169	10.0
179.07079	14.9
181.06349	7.3
181.10059	7.7
183.07999	13.1
183.11790	8.0
185.09590	24.2
187.07539	19.7
187.11232	18.7
189.09149	16.3
193.10101	7.2
195.08096	10.2
195.11627	11.2
197.09621	31.8
199.07510	20.8
199.11192	13.5
201.09053	14.2
209.06087	9.1
209.09671	10.4
213.09064	27.6
213.12779	9.9
215.07056	12.9
215.10909	15.4
217.08525	10.1
223.11116	10.0
225.05516	8.6
225.09067	28.5
229.08714	8.1
231.10081	10.5
241.08607	23.9
243.10150	27.6
255.10088	9.6
257.08063	44.7
259.09491	37.1
285.11240	29.8
301.10666	25.1
303.12088	46.2
319.11768	22.0
321.18271	9.0
377.17065	7.9
400.76108	7.7
401.15604	28.9
403.15384	12.3
405.21167	9.1
421.16245	11.4
439.17197	11.9
445.16638	12.4
449.15671	17.3
451.17484	21.0
461.28339	11.4
463.17230	36.4
467.16940	16.8
469.18356	35.8
481.18533	77.6
499.19617	100.0
563.22601	20.5
581.23950	50.8
599.24658	35.8
676.32098	8.2
708.30902	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	708.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	3.2
53.03939	9.1
55.01868	6.0
55.05500	6.9
57.22084	2.2
60.04518	2.8
67.05509	12.0
67.65743	2.4
68.05037	3.0
69.03423	4.2
69.07111	2.8
69.22827	2.7
74.09721	15.4
79.05484	12.7
81.03416	5.8
81.07061	12.0
83.04987	13.3
84.04499	5.7
86.07639	2.9
88.77174	2.3
91.05500	18.8
93.07042	18.0
95.04971	22.8
95.08604	8.8
97.06522	3.9
98.20596	2.4
100.04021	3.2
101.02379	7.6
103.05475	46.7
104.05795	7.6
105.03399	64.3
105.04494	4.8
105.07020	25.5
107.04968	4.8
107.08596	12.4
109.06528	6.2
111.04439	3.6
115.05446	7.2
116.63409	2.5
117.07031	15.4
119.04976	3.8
119.08574	28.9
120.04446	6.2
121.06502	11.1
121.10164	4.2
123.08086	9.6
128.06213	5.8
129.06998	8.3
130.72507	2.4
131.04936	100.0
131.08562	15.9
132.05260	16.7
132.08063	3.7
133.06480	14.6
133.10123	9.5
135.08047	7.0
137.06007	3.1
138.05431	3.8
140.03419	3.1
141.06927	3.7
142.05009	8.8
142.07822	10.1
143.04887	4.4
143.08580	17.5
145.06514	9.9
145.10138	10.2
147.08069	13.2
149.05991	4.8
149.09631	9.5
153.06993	3.6
154.07819	4.2
155.08617	12.9
156.09366	9.2
157.06456	2.5
157.10141	27.9
159.08060	18.3
159.11719	13.3
161.05988	23.2
161.09625	6.2
163.07524	7.4
166.07771	4.0
167.08548	7.8
168.09308	5.4
169.10143	22.0
170.10954	13.2
171.08026	7.5
171.11708	21.6
172.08768	2.8
173.05991	3.4
173.09584	16.3
173.13228	4.9
174.09113	3.7
175.07593	5.2
175.11235	2.5
176.10704	3.1
177.09134	5.3
179.07066	2.9
179.08595	2.8
180.06560	6.1
181.10150	9.8
183.08081	5.4
183.11705	81.2
184.08868	2.7
184.12418	4.1
185.09636	10.3
185.13271	6.7
186.10396	3.0
187.07515	3.6
187.11150	13.2
189.09100	5.5
193.08592	3.8
193.10173	6.3
195.08084	3.0
195.11702	9.1
196.08722	3.6
197.09691	7.0
197.13278	6.7
199.07533	6.0
199.11188	11.9
201.09166	5.4
201.12785	8.8
203.07178	2.4
203.10593	3.3
205.10289	3.5
205.12218	5.3
207.11685	16.6
208.12488	5.6
209.09647	5.6
209.13359	7.8
210.10295	3.2
211.07758	3.7
211.11288	14.9
211.12968	3.1
213.09232	5.7
213.12782	7.9
215.10611	4.3
217.10304	4.6
217.12254	3.6
218.11017	4.5
219.11803	7.8
220.09679	10.3
220.12396	3.5
221.13333	13.5
222.13963	5.6
223.07712	3.2
223.11180	8.3
223.14845	5.7
225.09074	6.2
225.12646	3.2
228.09329	3.3
229.10367	2.9
229.12312	8.4
230.10838	5.2
231.11673	8.5
231.13702	2.9
232.12408	7.2
233.13312	10.2
233.15462	4.6
235.14810	7.7
237.12794	4.2
237.16341	28.5
239.10735	2.9
239.14453	3.7
241.12140	3.1
243.13925	5.9
244.12422	6.9
245.11458	4.9
245.13504	5.5
245.15479	3.0
246.14108	7.5
247.11200	3.9
247.14812	10.9
248.11877	3.6
249.12750	6.6
249.16426	6.2
250.13763	3.2
251.10632	3.7
251.14297	8.0
253.12358	4.8
255.11816	4.6
257.08191	2.8
257.13354	3.7
258.14102	5.0
259.14798	9.8
260.12094	2.8
261.12723	4.8
261.16428	8.1
263.14221	5.7
265.15839	15.1
267.13748	5.4
270.14023	4.2
271.15088	3.2
274.13629	3.7
275.14349	3.8
275.17917	4.7
279.17517	12.6
281.15405	3.7
283.17276	2.7
285.16486	3.5
286.13623	3.0
287.14322	5.9
289.15726	7.7
291.13809	4.2
300.14438	2.6
301.15836	6.9
303.17258	4.9
305.15369	3.7
307.16830	13.9
315.17361	5.3
317.15170	4.3
319.16821	5.9
321.15106	3.2
321.18585	5.5
325.18079	6.1
329.15466	8.6
331.16925	7.7
335.16315	5.7
343.16907	6.5
347.16550	3.5
349.17892	3.5
353.17838	2.9
360.19540	3.6
361.17929	5.5
367.19034	3.5
371.16592	3.1
372.16360	3.0
379.19174	4.3
385.19839	2.8
388.19183	5.1
389.17502	6.8
390.20795	4.1
403.18945	5.3
404.18106	3.4
406.20224	8.4
407.18463	5.0
409.19971	4.4
419.18430	4.1
420.21765	7.2
421.20667	3.9
425.19803	3.3
430.20035	5.8
434.19388	4.1
448.21225	12.4
462.22705	10.2
466.22177	8.1
469.22116	4.0
476.20404	4.3
480.23654	10.4
490.22003	2.8
494.21518	7.5
501.24850	3.4
508.23273	13.5
526.24359	23.9
541.20563	4.1
567.25763	5.1
568.25317	2.9
586.26917	5.5
616.25317	4.1
648.27393	5.9
708.31091	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	707.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.3
54.43279	4.7
55.01868	11.7
55.05512	38.4
57.03418	15.5
57.07079	6.5
57.25297	4.3
59.37190	5.9
63.79358	4.7
65.03948	6.4
67.05171	7.9
67.05508	97.2
69.03420	23.2
69.07074	26.3
71.04987	12.1
71.56344	4.6
79.05491	60.0
81.03419	100.0
81.07057	92.8
83.04984	37.3
83.08624	32.6
84.51292	4.8
85.02901	26.0
86.28687	4.6
87.04455	18.0
87.29229	4.6
87.78157	4.5
91.05479	73.9
93.07040	61.5
95.04967	37.6
95.08602	60.0
97.02885	21.0
97.06526	13.6
97.10152	13.5
99.04464	5.5
103.05512	4.9
105.07024	51.7
107.04964	9.9
107.08604	43.5
109.02869	15.5
109.06522	11.0
109.10140	33.1
111.04436	17.9
111.08064	15.4
117.07010	19.9
119.08583	47.2
121.06524	4.9
121.10196	29.8
123.08057	7.4
123.11694	14.5
125.00027	5.3
125.09608	5.1
127.03916	13.1
129.07039	23.8
131.08527	25.7
133.06477	6.0
133.10156	27.7
135.08260	5.1
135.11696	18.0
141.06964	5.8
142.07722	4.5
143.08597	11.0
145.10114	14.5
147.08104	4.7
147.11668	33.6
149.09622	12.5
149.13240	9.6
153.12682	5.1
155.08543	7.9
157.10135	28.1
159.11751	15.3
161.09601	6.3
163.11270	10.2
163.14830	5.8
165.12715	8.6
169.10049	5.7
171.11707	11.8
173.13284	5.5
175.11150	15.5
175.14763	6.4
177.12689	5.7
181.12242	9.8
184.07335	13.8
187.14836	6.5
191.10692	6.5
193.12265	36.4
211.13263	61.6
222.24138	5.2
227.12772	12.7
229.14392	8.6
253.69788	4.5
267.15973	24.4
283.15475	5.0
285.16870	34.0
288.90262	4.7
309.36945	4.7
317.24847	5.8
335.25861	40.6
351.23328	9.2
352.82819	6.0
355.17349	5.1
369.23923	13.8
387.25494	7.4
405.25684	4.8
411.24960	5.5
429.21210	20.2
477.22064	6.3
527.37164	19.4
545.38397	69.4
609.26086	16.4
610.26788	45.5
653.40143	14.0
671.41461	12.7
689.42401	45.6
707.35822	10.5
707.47595	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.8
55.01866	8.6
55.05513	31.9
57.03438	16.4
57.07069	4.8
60.08142	7.8
64.75671	3.5
64.84289	3.3
67.05505	88.2
69.03429	24.9
69.07065	25.5
71.04984	10.2
71.56793	4.1
79.05492	68.4
81.03419	100.0
81.07062	83.6
83.04979	37.6
83.08626	29.4
85.02898	17.7
86.09714	27.2
87.04469	15.7
90.76983	4.1
91.05485	48.4
93.07043	64.1
95.04964	34.0
95.08608	61.9
97.02913	19.8
97.06519	13.8
97.10149	7.6
97.57150	3.1
99.04439	4.5
105.04604	4.7
105.07026	46.6
107.04941	11.9
107.08603	35.2
109.02858	10.3
109.06526	6.3
109.10162	26.5
111.04485	17.4
111.08070	17.4
115.05476	5.2
116.36625	3.3
117.07020	14.3
119.08602	34.0
121.06509	4.6
121.10149	32.7
123.11689	11.3
125.00003	19.9
125.09631	7.1
127.03911	9.8
129.05486	7.6
129.07010	15.2
131.04935	4.4
131.08585	31.0
132.08913	3.4
133.06490	6.3
133.10150	19.5
135.08055	4.8
135.11655	19.2
143.08527	6.6
145.10178	19.5
145.85742	3.6
147.08032	9.3
147.11703	24.9
149.09692	7.9
149.13258	8.3
153.12715	7.7
155.08621	3.7
157.10135	17.1
157.76901	3.6
159.11702	9.6
161.13304	3.4
163.11180	4.2
163.14778	3.6
165.12749	5.4
169.10109	6.3
171.11699	6.8
173.13228	6.0
175.11243	11.7
181.12283	6.6
184.07343	79.5
185.07721	16.7
185.13261	6.1
189.11234	3.8
191.10712	6.2
193.12256	44.1
211.13283	67.8
227.12794	7.4
229.14468	6.4
253.34598	4.1
261.22131	10.8
267.15897	22.5
285.17020	21.2
332.69080	3.4
335.25784	61.9
337.27356	4.2
369.24225	9.6
429.21127	16.4
475.49512	4.0
479.30060	4.9
527.37109	11.1
531.70862	3.8
543.37122	3.8
545.38397	77.7
545.96558	3.5
610.26581	10.2
635.83551	3.5
653.40375	7.3
671.41138	7.6
689.42413	33.5
707.25116	17.0
707.36328	4.6
707.47968	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	707.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94916	8.4
53.03944	11.2
53.63682	7.7
55.01869	11.3
55.05518	42.4
57.03431	15.3
65.03958	10.2
65.20688	8.9
67.05517	66.8
69.03423	45.3
69.07066	25.3
70.06599	40.9
71.01357	9.9
71.04990	11.1
71.56212	15.4
74.09692	7.8
79.05492	53.8
81.03413	58.5
81.07061	71.2
83.04996	63.9
83.08611	22.7
83.59128	9.6
84.04547	8.3
85.02911	21.8
86.09707	15.5
91.05481	82.8
93.07046	50.4
95.04974	37.1
95.08612	52.6
97.02907	15.9
97.06568	11.9
97.10199	11.2
103.02169	25.3
103.05450	22.2
105.03392	38.1
105.07035	78.3
107.04946	28.0
107.08604	51.2
109.06546	27.4
109.10112	20.3
111.04442	12.9
111.08070	10.3
112.08735	10.3
115.05441	18.4
116.20464	8.9
117.07025	31.7
119.04926	11.4
119.08583	79.9
121.06509	16.7
121.10136	20.7
121.50952	9.4
123.08050	15.8
128.06218	15.2
129.06985	19.0
130.07771	8.9
131.04951	28.3
131.08546	63.8
133.06506	35.1
133.10146	50.7
135.08040	27.6
141.07019	11.0
142.07730	15.6
143.08519	42.8
145.06586	12.5
145.10164	58.1
147.08049	36.4
147.11702	20.9
149.09573	26.2
151.07536	17.2
155.08607	13.5
156.09386	24.5
157.10167	80.2
159.08058	31.1
159.11699	18.2
161.05952	14.2
161.09621	32.1
163.07607	9.2
163.11169	27.7
165.06960	11.6
165.09129	13.0
169.10088	47.5
170.10858	24.8
171.08075	24.1
171.11707	99.0
173.09665	35.0
173.13222	9.9
175.07500	18.1
175.11273	19.1
179.08516	10.7
181.10135	23.8
182.10847	10.1
183.11671	100.0
184.08777	9.1
184.12468	10.2
185.09666	33.2
185.13290	78.4
187.11252	20.6
192.09361	13.2
193.10226	12.7
193.12273	16.1
194.10628	10.8
195.11710	26.3
197.09634	22.2
197.13284	24.0
199.07793	10.5
199.11266	46.1
201.05402	10.4
201.09164	10.8
205.10223	13.3
207.11755	24.9
208.12494	9.9
209.13254	17.2
211.11232	23.9
213.12753	61.9
216.09441	9.1
217.10275	13.1
218.10919	16.6
220.12500	20.5
221.13231	32.5
223.11261	21.8
223.14876	11.8
229.12402	14.3
229.14571	13.5
231.11835	16.4
231.13800	20.2
233.13316	20.8
235.14825	21.1
237.12711	19.5
237.16362	19.2
243.11711	16.3
243.13963	21.6
244.12451	13.1
245.13251	28.2
245.15494	33.9
246.13959	27.2
247.11256	13.9
247.14827	27.5
249.12669	12.2
249.16386	20.9
251.14365	14.2
251.18045	11.6
257.13162	26.6
259.11206	15.5
259.14920	23.0
261.12756	18.4
261.16394	38.5
263.14316	31.2
263.17953	16.5
263.42648	10.9
267.15897	27.5
268.16315	9.7
269.13229	14.6
270.13904	10.2
274.13458	12.2
275.14264	18.5
275.17776	20.3
279.17511	9.6
284.15683	17.2
285.16766	20.4
287.14291	19.3
287.17578	11.4
288.15106	11.4
289.12283	11.7
289.15512	16.8
291.17459	15.3
293.18948	11.5
299.14465	16.1
300.15314	11.6
301.15857	20.3
303.14108	15.6
303.17215	47.3
313.15878	18.2
315.17545	15.4
321.18512	33.9
329.15274	11.0
331.16806	24.9
335.20090	10.9
341.15234	9.8
345.18704	25.1
347.16364	15.3
349.17975	20.6
353.20996	17.5
355.17026	13.5
359.16348	11.7
359.20154	11.6
363.19553	15.9
373.17987	29.3
375.19672	11.4
377.17386	17.3
381.20639	17.4
383.17169	8.9
391.19031	30.4
401.17416	23.1
405.20291	22.4
409.20062	35.3
411.18320	9.9
419.18555	17.5
421.20096	14.9
423.21738	31.1
427.21362	13.4
433.19940	30.6
437.19427	17.4
439.21268	12.4
441.22763	14.8
451.21085	51.1
460.27631	22.0
465.22797	14.6
469.22113	37.4
477.28397	17.0
478.28867	48.5
483.23901	30.6
492.26709	16.4
501.24805	30.8
529.24487	32.8
707.30780	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05171	2.9
52.86214	3.6
52.86639	2.9
53.03936	4.3
55.01865	5.9
55.05514	57.6
57.03437	5.1
58.56922	3.0
65.03951	3.3
65.59258	2.9
67.05510	19.6
69.03418	8.1
69.07077	10.8
69.21552	33.2
69.21896	3.7
70.06600	26.1
70.06931	5.0
71.04977	4.4
72.08141	7.2
78.73280	3.4
79.05497	19.1
81.03407	11.9
81.07075	26.3
83.04993	100.0
83.08611	5.9
84.08127	4.1
85.02898	6.8
85.06546	4.1
86.09703	11.4
91.05486	25.0
93.07043	26.1
95.04982	16.1
95.08625	22.3
97.02890	5.7
97.06541	4.4
103.05446	10.6
105.03382	9.1
105.07035	22.0
105.72118	3.4
107.04948	9.9
107.08618	18.2
109.06516	6.8
109.10131	9.3
111.08051	3.7
115.05440	4.9
117.07027	11.2
119.04907	6.0
119.08588	25.6
121.06470	6.2
121.10136	11.2
121.12457	3.2
123.04368	3.7
123.08082	5.7
128.06261	4.5
129.07013	9.0
131.04927	25.3
131.08549	23.5
133.06467	12.8
133.10103	22.4
135.08035	10.7
142.07771	6.3
143.08553	21.4
145.02824	5.5
145.06491	7.6
145.10091	19.0
147.04436	3.9
147.08067	16.7
147.11659	6.3
149.05965	5.1
149.09636	7.1
151.07539	4.7
155.08519	11.8
156.09396	9.1
157.10115	31.7
159.08040	14.5
159.11700	9.5
161.06004	13.3
161.09613	14.4
163.07591	6.3
163.11140	10.3
165.09164	5.9
167.08583	7.3
169.10114	17.3
170.10922	11.7
171.08076	13.9
171.11688	46.4
173.09604	15.1
173.13249	5.4
175.07605	7.9
175.11165	6.3
177.05466	16.8
179.08521	6.1
181.10086	7.5
183.08192	4.7
183.11732	41.6
185.09656	10.1
185.13281	27.3
187.11203	9.3
189.09050	5.0
191.10648	4.0
193.10191	6.3
193.12170	8.0
195.11732	13.6
197.09604	7.8
197.13260	14.0
199.11192	17.6
200.11958	4.0
201.12738	5.7
203.10745	3.7
205.08450	3.7
207.11652	10.1
209.13336	10.8
211.11125	11.8
211.13026	3.8
213.09216	4.2
213.12730	32.1
215.10539	4.9
217.08450	5.3
217.10260	5.9
217.12111	5.5
218.10907	3.9
219.11755	6.3
220.12489	5.4
221.13348	9.0
223.14838	6.4
227.12680	3.7
229.12236	8.4
229.14276	3.7
231.11826	5.9
231.13872	10.8
232.12541	6.0
233.13211	9.3
234.13901	6.1
235.14871	6.8
237.12766	8.0
237.16304	5.2
239.14282	4.0
241.12267	11.0
243.11722	6.1
243.13831	9.5
244.09212	4.0
244.12605	6.2
245.13248	7.5
245.15385	12.4
246.13943	7.5
247.11003	4.9
247.14813	13.0
249.12622	5.0
250.16927	3.9
251.14252	5.1
251.17892	3.5
257.12988	4.7
258.13885	4.0
259.13406	14.1
261.16360	9.5
263.14270	6.0
263.17896	5.0
267.16013	5.7
269.13333	4.7
270.13980	3.7
271.14850	4.2
272.11673	3.5
273.12439	7.0
273.15033	10.3
275.14175	5.7
275.17914	9.8
277.15796	6.6
283.11108	3.8
283.15399	3.4
285.12717	4.0
285.16513	6.4
287.10147	4.5
287.14047	5.1
288.14999	4.6
289.15829	7.8
290.16443	4.3
291.17395	5.1
295.17075	4.9
299.14600	3.4
303.13840	4.1
303.17401	9.9
307.16779	4.4
309.18555	5.7
313.15833	7.6
315.17041	4.0
317.19122	3.8
319.16956	9.2
321.18533	10.6
325.21616	3.8
329.15503	3.9
331.16724	9.6
337.17914	8.8
339.19470	9.5
341.15295	4.7
345.18390	5.1
347.16626	5.3
349.17859	11.3
359.16330	7.1
361.18115	3.9
363.19434	8.5
367.19098	4.0
373.18030	10.5
377.17392	11.1
379.19193	5.2
381.20587	5.3
389.17734	4.9
391.18839	17.6
395.18472	8.4
397.19745	6.6
401.17349	8.4
405.20547	6.1
409.19934	10.1
411.21948	6.3
419.18381	15.9
433.19952	8.9
437.19562	19.8
451.21158	12.3
455.20532	5.5
469.22095	14.0
475.26608	4.1
478.28546	5.2
487.23361	7.1
493.28201	5.7
510.27878	7.7
511.22900	7.4
515.22357	10.6
529.24249	11.3
619.77600	4.0
707.32617	47.9
708.32599	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	707.3257
Annotation	Briarlide I
Peak:m/z	Relative Intensity
53.03943	14.1
55.01865	10.2
55.05510	56.7
66.32957	4.5
67.05508	21.4
69.03413	15.3
69.07065	10.0
70.06589	34.3
71.56279	7.6
79.05490	23.2
81.03418	27.0
81.07060	25.7
82.02950	9.3
83.04979	92.3
83.08625	9.1
86.06076	13.4
86.09688	8.0
87.04466	11.9
91.05491	37.6
93.07033	27.8
95.04948	21.7
95.08640	21.5
97.02874	5.9
97.10153	4.8
98.06058	62.3
99.06384	7.7
103.05486	8.0
105.03388	63.8
105.07034	25.8
106.03724	8.9
107.04945	15.9
107.08596	16.3
108.08889	4.4
109.06517	13.1
115.05450	8.6
117.07017	30.8
118.07358	10.0
119.08566	37.2
121.06482	7.9
121.10141	7.2
122.06031	13.5
123.04440	5.4
123.08048	8.1
124.07605	6.1
128.06235	7.3
129.07063	10.0
131.04903	11.3
131.08531	29.4
133.06470	16.9
133.10135	21.1
135.08026	10.3
141.06973	9.8
142.07747	8.0
143.04945	9.3
143.08578	25.1
145.06462	19.8
145.10126	26.4
147.08060	21.2
149.09627	10.5
150.05450	8.4
151.05856	5.5
153.07056	7.9
155.08582	15.5
156.09338	16.1
157.06522	5.2
157.10149	38.9
159.08012	21.2
159.11726	14.1
161.05959	15.9
161.09607	16.2
163.11180	5.0
165.06902	4.8
167.08513	5.0
168.06555	17.1
168.09259	4.2
169.06761	5.3
169.10112	24.9
170.10872	15.2
171.08046	13.9
171.11682	55.7
172.08466	4.9
172.12013	10.4
173.09602	17.6
173.13321	7.5
175.11171	9.1
179.08630	8.8
179.10440	4.6
180.09406	7.0
181.10132	9.4
183.08156	6.9
183.11694	54.0
184.12379	9.5
185.09590	13.2
185.13261	45.9
186.13626	10.6
187.07518	5.1
187.11140	15.7
193.10370	6.4
193.12279	11.5
195.07999	5.1
195.11697	19.0
196.12283	7.4
197.09598	13.2
197.13338	9.5
198.10474	8.1
199.11220	32.6
200.11853	6.9
201.09068	7.1
201.11087	5.4
201.12788	7.6
202.12209	6.1
205.12218	6.5
207.11713	8.4
209.09674	5.8
209.13278	10.3
211.11197	15.2
213.09158	7.2
213.12706	61.8
214.13109	10.8
215.08672	5.6
215.10704	4.6
219.11760	5.9
220.12418	6.4
221.13231	13.3
223.11191	10.4
223.14838	9.3
227.10857	5.6
229.12325	6.9
230.11711	5.2
231.11653	15.6
232.12250	8.5
233.13280	14.8
235.11150	6.9
235.14897	7.8
237.12827	4.8
237.16380	6.1
241.12248	6.6
243.11655	5.9
243.13820	18.8
244.12372	7.0
245.13333	10.3
245.15395	18.6
245.47586	4.9
246.13789	11.0
247.11226	9.2
247.14825	14.8
248.12996	10.3
249.12851	12.0
249.16435	6.4
251.14339	7.3
251.18048	5.2
256.12384	5.0
258.14029	7.1
259.14734	14.9
260.12009	5.8
260.15466	8.8
261.16345	17.5
262.13544	7.9
263.14407	10.3
263.18011	5.3
267.15912	22.9
268.16336	10.1
269.09293	4.9
270.13965	9.7
271.14923	4.8
272.11911	5.4
272.15536	5.4
273.12408	8.8
273.14938	16.6
275.14294	7.1
275.17712	11.2
276.15033	5.5
277.12073	6.0
277.15735	7.3
279.17422	8.3
283.14731	5.0
284.15213	5.3
285.12610	9.5
285.16431	6.0
287.14258	9.3
288.14883	5.7
289.15845	9.7
291.17499	8.1
299.14215	6.9
301.15775	14.7
302.16357	7.9
303.17368	13.7
307.16891	4.7
313.15884	7.3
315.17276	7.1
317.15509	5.0
319.16949	8.7
320.17682	6.9
321.18250	7.7
328.14282	7.5
331.16837	13.0
332.13181	5.5
345.18692	6.1
349.17920	10.8
353.21021	14.8
358.18805	6.4
359.16394	8.5
373.18051	11.1
377.17389	12.7
385.17511	5.8
391.19003	13.9
401.17752	7.8
409.20169	9.3
411.21414	8.2
415.19250	6.6
419.18652	9.2
423.21594	5.0
433.20032	12.4
443.24109	10.7
451.21204	25.5
460.27609	17.4
461.25003	6.1
469.22272	14.5
470.23553	9.0
471.23523	18.3
478.28848	10.1
488.24387	6.2
489.24576	39.1
493.22220	5.9
506.25351	6.3
507.25827	27.9
511.22937	10.3
513.25305	5.3
525.26605	13.3
529.24377	26.3
549.26367	15.4
550.20416	5.2
566.27441	17.8
567.27911	66.9
585.28955	14.6
671.30225	22.2
689.31482	100.0
707.33557	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	707.326
Annotation	Briarlide I
Peak:m/z	Relative Intensity
53.03940	11.1
55.01870	6.9
55.05513	29.3
57.03439	8.8
57.07079	4.6
63.12897	3.5
64.82764	3.8
65.03947	4.0
67.05510	47.2
69.03078	6.5
69.03431	98.1
69.07077	21.3
70.06603	29.5
70.94561	5.4
70.94903	8.1
71.04993	11.6
72.08159	7.3
79.05487	39.7
81.03425	28.0
81.07070	53.4
83.04992	26.9
83.08619	15.9
84.04496	4.7
85.02912	43.0
85.06534	11.1
86.06073	10.3
86.09698	7.6
87.00850	4.7
87.04456	21.0
91.05486	48.5
93.07044	59.2
95.04981	22.4
95.08617	49.1
97.02881	17.6
97.06533	38.6
97.10165	4.9
98.06040	9.5
99.04451	11.9
101.05993	6.7
103.05463	9.9
105.07042	88.3
107.04941	9.9
107.08614	65.6
109.02846	6.3
109.06503	17.6
109.10181	28.5
111.04398	5.6
111.08070	10.2
113.05972	5.7
114.05535	8.5
115.03905	4.4
115.05401	8.0
116.07037	3.8
117.07025	32.5
119.07797	7.5
119.08589	100.0
121.06485	10.5
121.10160	49.6
122.06020	3.9
123.08064	10.3
123.11723	8.9
125.05940	5.3
126.04843	4.0
127.03903	29.3
127.07574	8.7
128.06248	7.2
129.07002	17.3
130.07808	10.5
131.04942	10.9
131.08578	62.5
133.06516	8.2
133.10136	74.8
135.08040	15.7
135.11716	27.9
137.05960	7.9
137.09599	8.4
139.07552	27.8
141.05533	6.7
141.06964	10.2
142.05023	8.1
142.07767	13.9
143.08583	48.8
144.06561	38.3
144.09364	5.0
145.04962	4.9
145.06685	9.1
145.10132	82.8
147.08072	22.4
147.11688	45.7
149.09599	16.1
149.13260	4.8
150.09087	6.7
151.07509	5.5
151.11122	3.9
153.06908	4.3
155.08557	23.2
156.09410	20.3
157.10141	94.5
158.10942	6.8
159.08061	12.8
159.11703	59.9
161.06012	7.0
161.09654	18.2
161.13242	23.7
163.07616	5.0
163.11200	12.8
165.06990	5.5
165.09171	9.5
165.12811	4.6
166.07921	5.7
167.08560	13.5
167.10709	6.1
168.06586	5.2
168.09351	9.7
169.08760	6.0
169.10129	46.0
170.10883	16.6
171.08017	7.3
171.11710	72.9
172.12274	5.4
173.09636	13.5
173.13281	48.3
175.11145	11.1
177.09135	12.6
177.12666	7.1
178.08763	5.0
179.08575	9.3
179.10693	11.5
180.09337	8.4
181.08649	6.3
181.10115	27.9
181.12283	7.4
182.10938	10.9
183.06528	6.9
183.08089	7.0
183.10199	8.1
183.11684	63.0
184.12196	6.8
185.08112	22.1
185.09552	9.0
185.13268	67.5
186.14043	5.1
187.11243	12.4
187.14775	23.6
189.09137	6.3
189.12796	7.4
191.10678	10.4
193.10144	21.1
193.12186	9.3
193.92499	4.0
194.10930	6.3
195.10161	6.4
195.11781	33.9
196.12431	8.8
197.09656	11.5
197.13277	57.1
199.11235	17.4
199.14841	46.3
201.09183	5.0
201.12729	8.2
201.16469	7.5
203.10738	13.1
203.14368	5.4
205.10187	6.3
205.12131	7.9
206.08127	8.5
206.10886	4.9
207.10081	4.6
207.11742	15.3
207.13542	5.5
208.12535	5.6
209.09673	8.3
209.12044	5.0
209.13330	40.4
210.13988	11.8
211.11282	6.8
211.14816	46.6
212.15665	6.8
213.12766	22.2
213.16309	18.4
215.10677	6.4
215.14294	4.5
217.10205	4.7
217.12097	8.4
219.11807	8.0
220.12476	6.5
221.13272	16.8
221.15219	4.2
222.14085	7.8
223.11249	9.2
223.14917	30.3
224.15567	7.5
225.12859	5.8
225.16356	31.3
227.14436	11.6
227.17958	16.5
229.12219	5.1
231.11804	6.1
231.13895	12.1
232.12283	4.2
233.13239	10.3
233.15337	9.2
235.14838	15.6
237.12740	7.8
237.16512	24.0
238.17061	4.9
239.14281	9.0
239.17908	24.0
240.18709	29.3
241.12355	5.0
241.15845	4.3
241.19539	16.5
243.13803	5.9
245.11494	4.8
245.15549	8.2
247.15031	8.2
249.16441	16.4
251.14616	6.5
251.17966	23.4
253.15836	5.6
257.15457	8.5
259.10992	5.2
262.90921	4.0
263.14423	6.8
263.17947	10.9
265.15985	5.7
265.19470	15.6
266.20230	5.2
267.15842	8.4
267.21121	10.2
269.15692	5.8
269.18997	8.2
273.14771	6.0
279.17542	6.2
279.21014	10.5
281.22482	7.0
283.15567	7.0
287.20148	5.2
289.19470	4.6
291.21057	6.3
299.16342	5.9
305.19086	4.7
307.20508	9.2
307.24084	4.7
309.22079	11.3
313.76556	4.0
317.15030	4.9
317.18744	4.0
321.15118	5.5
321.18634	6.3
325.17917	10.4
325.21634	9.9
327.23184	10.2
333.21411	4.1
335.15930	4.8
335.23914	8.4
339.19467	16.7
349.25089	8.1
353.21118	13.3
353.24890	7.4
355.22809	31.1
356.58340	4.4
359.23801	4.9
371.22113	7.7
373.19467	5.4
373.23785	64.6
377.24579	22.7
381.21045	4.9
381.24435	42.0
387.23383	7.2
390.93774	4.5
393.24673	6.2
395.25797	55.3
399.10745	13.8
399.25391	40.9
405.24261	13.2
411.25284	10.9
413.26877	30.9
423.25314	81.7
441.26401	83.7
459.27444	37.3
471.27380	9.2
475.27078	12.3
492.24612	6.8
493.28412	5.1
510.27774	4.5
545.27576	6.8
573.30255	7.1
585.30536	29.1
603.31805	38.3
653.21893	6.2
671.23322	10.9
689.23615	23.8
689.34363	5.7
690.26349	4.4
707.24658	11.8
707.35815	7.4
708.27277	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	707.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.5
51.02367	0.6
51.60579	0.5
53.03944	3.4
55.01874	4.4
55.05519	3.6
57.03428	1.7
57.07071	2.7
61.71688	0.5
64.39610	0.4
65.03944	0.9
67.05505	5.7
69.03432	2.5
69.07079	2.4
71.19402	0.8
71.63790	0.4
77.03925	1.1
79.05075	0.4
79.05502	7.2
81.02974	0.9
81.03421	9.2
81.07062	7.6
82.41186	0.4
83.04977	2.5
83.08619	2.9
85.02908	1.2
85.06536	0.5
87.04471	13.0
88.04811	0.8
91.05486	10.3
93.07042	5.8
94.55509	0.4
95.04974	6.4
95.08607	4.8
96.84222	0.5
97.02908	1.4
97.06540	0.8
97.10184	0.9
99.04452	0.6
102.04659	1.0
103.05472	56.9
105.03401	8.8
105.04516	1.2
105.07033	8.6
107.04961	1.8
107.08595	4.4
109.01650	0.4
109.02901	1.1
109.06521	1.1
109.10144	2.6
110.68733	0.4
111.04426	1.3
111.08059	1.4
115.05476	1.6
116.06239	0.5
117.07027	6.6
118.07800	0.6
119.04919	0.5
119.08596	9.5
121.06497	1.8
121.10181	2.8
123.08080	0.9
123.11683	0.9
128.06216	2.5
129.07019	6.2
130.07826	1.2
130.27510	0.4
131.04936	100.0
131.08572	6.1
132.05264	0.6
133.06494	1.7
133.10130	7.1
135.08034	1.9
135.11676	1.2
137.09636	1.0
137.82867	0.4
141.06978	1.1
142.07768	2.6
143.08548	5.3
144.08128	0.4
145.06496	3.5
145.10123	5.2
147.08055	20.4
147.09227	1.0
147.11714	2.3
148.08372	0.5
149.09657	2.4
149.13300	0.8
153.07024	0.7
154.07823	0.5
155.08566	2.5
156.09354	3.1
157.10136	9.0
158.07289	0.7
159.08055	8.0
159.11716	3.8
161.06009	0.6
161.09615	9.3
161.13319	1.1
163.07555	10.5
163.11208	1.9
165.06963	0.8
165.09151	0.8
167.08562	1.6
168.09265	0.7
169.10172	3.0
170.10916	2.5
171.08089	2.3
171.11699	14.0
173.05986	1.2
173.09642	6.4
173.13263	2.3
175.07541	2.1
175.11212	2.7
179.08559	0.9
179.10703	0.5
180.09282	0.6
181.10170	1.6
181.12250	0.6
182.10922	0.6
183.08086	1.1
183.11714	8.1
185.09691	3.3
185.13255	10.2
187.07620	0.9
187.11165	2.8
189.09026	1.1
189.12775	0.7
191.10733	1.1
193.10323	1.0
193.12260	3.4
195.11650	2.9
197.09628	2.1
197.13216	3.0
198.10390	0.8
199.07468	0.6
199.11206	4.3
201.09138	1.9
201.12764	1.6
203.10681	0.8
205.12212	1.2
207.11780	1.3
209.09601	1.1
209.13339	0.8
211.11194	2.6
211.13330	4.3
213.12755	8.2
215.10709	0.9
217.10378	0.5
217.12332	1.2
219.11833	1.0
221.09584	0.5
221.13324	1.5
223.11212	1.8
223.14792	0.6
225.12773	1.3
227.10709	0.7
227.12677	0.6
229.10167	0.9
229.12268	1.6
231.13794	2.6
232.12506	0.7
233.13419	0.6
233.15422	0.9
237.12769	1.3
241.12253	3.7
243.11708	1.1
243.13904	1.9
244.12560	1.1
245.13174	0.6
245.15392	6.5
248.12039	0.5
249.12863	0.7
251.14479	0.8
255.13846	2.4
257.15530	1.2
258.14114	0.6
259.11023	0.8
259.13272	3.8
259.20270	0.5
261.12680	1.0
263.16528	1.1
267.16043	1.4
269.13278	1.3
270.14020	0.8
272.12234	0.8
272.15646	0.6
273.12402	0.7
273.14874	5.9
275.14243	0.7
279.13831	0.7
283.11151	0.6
284.15533	0.6
285.12817	1.1
285.16846	2.1
289.15997	1.0
291.16010	1.7
297.12711	0.7
298.13663	0.5
299.14471	0.8
301.16025	1.0
303.17401	0.9
303.23404	0.6
311.14221	1.0
313.15955	1.1
315.17358	1.6
317.15128	0.6
317.18903	1.4
326.16730	0.9
327.17459	4.8
328.18188	0.9
329.15366	0.7
329.19067	0.9
331.20648	0.8
335.25797	2.7
341.19019	2.9
343.17099	0.6
345.18597	2.2
355.88138	0.5
357.18509	1.0
359.20325	3.2
369.18539	1.5
369.23959	0.8
375.19537	1.0
377.21133	0.8
387.19577	4.5
389.21146	1.8
391.22601	1.8
401.21094	6.2
405.20764	2.4
405.25574	0.6
407.22025	0.8
409.23630	0.7
419.22186	9.7
423.27328	0.5
429.21207	0.9
437.23203	3.5
523.25159	0.8
527.24622	1.4
527.37323	1.0
541.25934	1.2
545.25629	0.7
545.38330	4.8
559.26538	1.7
671.41956	0.7
689.31335	1.0
689.42139	2.0
707.31848	1.9
707.46094	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.8
51.02370	1.5
53.03951	2.6
55.01622	0.7
55.01869	8.9
55.05503	1.6
65.03937	1.0
67.05499	2.7
69.03434	2.4
69.07059	1.2
71.04980	0.7
77.03941	1.6
79.05492	6.4
81.03419	6.8
81.07053	3.2
83.04935	0.7
85.06585	0.9
87.04413	0.5
91.05480	15.9
93.07036	7.6
94.82839	0.5
95.04966	10.4
95.08613	3.4
97.06525	1.5
98.21502	1.2
103.05467	54.1
104.05800	0.7
105.03391	25.0
105.04442	3.1
105.06386	1.0
105.07029	14.1
107.04949	3.4
107.08599	5.2
109.06540	3.4
109.10152	1.2
113.05973	0.8
115.03921	1.5
115.05444	6.4
116.06251	1.3
117.07018	13.8
119.04944	1.3
119.08585	17.3
121.02822	0.4
121.06503	2.8
121.10152	2.9
123.04425	0.6
123.08048	0.9
128.06233	4.7
129.07010	12.2
130.07823	2.7
131.04927	100.0
131.08571	11.5
132.05627	0.7
133.06490	2.9
133.09157	0.5
133.10130	13.9
135.08049	4.5
135.11714	0.5
141.06978	3.5
142.07805	5.5
143.08556	12.0
144.05678	0.8
144.09293	1.2
145.06493	8.6
145.10130	10.5
146.07227	1.4
147.08046	46.1
147.11647	1.7
148.08421	0.7
149.05911	0.8
149.09633	5.8
153.06996	1.7
154.07779	1.3
155.06091	0.8
155.08553	5.2
156.09340	8.7
157.06502	1.9
157.10132	18.7
158.07249	1.7
158.10876	0.9
159.08054	18.2
159.11691	10.6
160.08618	0.6
161.06052	1.0
161.09616	20.5
161.13303	0.9
163.07541	28.0
163.11153	2.8
165.06958	2.8
166.07683	0.8
167.07187	0.5
167.08495	2.4
168.09335	2.2
169.10144	10.9
170.10896	6.7
171.08031	5.9
171.11690	30.1
172.08824	1.5
172.12376	0.6
173.06088	3.1
173.09631	16.0
173.13258	3.6
175.07564	5.6
175.11176	3.4
177.09103	1.3
178.07870	1.0
179.08653	1.5
179.10641	0.9
180.09351	1.8
181.10097	4.5
182.07217	0.9
182.10904	1.8
183.08118	1.7
183.11693	26.9
184.08878	1.3
184.12273	0.8
185.09637	9.8
185.13252	27.4
186.10373	0.5
187.07594	2.6
187.11171	6.4
187.14882	0.9
189.09146	2.5
189.12781	1.2
191.10655	1.1
192.09338	0.9
193.10202	2.7
193.11951	0.6
194.10834	0.6
195.08017	0.8
195.11719	6.4
196.08868	0.9
196.12335	0.7
197.09607	5.4
197.13290	7.9
198.10426	2.2
199.11188	11.4
200.11928	0.9
201.09119	5.1
201.12698	4.8
203.08759	0.9
203.10690	1.7
203.14314	1.4
205.06688	0.6
205.10339	0.8
205.12079	2.4
206.10945	1.5
207.11792	3.8
208.12480	1.0
209.09666	2.8
209.13321	2.1
211.11234	5.1
213.09146	2.1
213.12735	21.8
215.08615	0.9
215.10669	2.2
215.14212	1.2
216.09346	0.7
217.10170	1.1
217.12270	3.8
218.10909	1.1
219.08134	0.7
219.11676	1.7
219.13722	0.9
220.12515	1.4
221.09689	1.2
221.13272	2.4
222.10332	0.8
223.11212	3.4
223.14861	1.2
225.12756	2.3
227.10713	2.0
227.14313	0.7
229.10107	1.5
229.12212	3.9
230.10818	0.8
231.11722	1.9
231.13661	4.7
233.09584	1.0
233.13286	1.2
233.15375	3.2
234.14056	0.6
235.11159	1.7
235.14935	1.4
236.11906	0.8
237.12709	2.9
239.10794	1.4
239.14305	0.8
241.10052	0.6
241.12209	7.2
243.11607	1.6
243.13849	4.1
244.12401	1.4
245.13260	1.7
245.15384	13.9
246.10437	0.6
246.14104	0.8
247.11148	1.7
247.15085	1.1
249.12817	1.3
249.16425	1.2
251.14296	1.9
255.11752	0.8
255.13885	5.6
256.12381	1.0
257.13293	0.9
257.15436	2.2
258.14017	1.0
259.10999	1.1
259.13113	7.4
260.12094	1.0
261.12610	1.7
261.14941	0.8
263.14157	1.3
263.16510	2.6
267.11569	0.8
268.12506	0.6
269.13205	2.1
270.13913	1.2
271.13324	0.9
271.15073	0.6
272.12036	0.9
272.15356	0.7
273.12476	1.5
273.14868	10.8
274.13406	0.8
275.14261	2.1
277.16116	1.3
279.13843	1.0
282.10413	0.9
283.11374	0.6
283.14783	1.5
284.15643	0.8
285.12671	1.4
285.16129	1.0
286.10400	0.5
286.13504	1.4
287.14325	2.7
287.17593	1.0
288.15125	0.9
289.15753	1.7
291.15936	4.3
297.12885	2.7
297.16058	0.8
298.13483	1.0
299.14334	1.9
299.17603	0.6
300.14944	1.1
301.16068	2.4
301.19043	0.7
302.16714	1.1
303.13956	1.0
303.17392	1.5
311.14105	2.4
312.15091	2.4
313.15906	2.5
314.16489	0.8
315.17355	4.2
317.15692	0.7
317.18790	3.0
323.16370	0.7
325.15903	0.8
326.16666	1.4
327.13956	0.9
327.17453	7.4
328.18176	1.4
329.15314	1.9
329.19055	2.5
331.16986	0.9
331.20633	2.5
333.18396	0.9
341.18945	5.4
343.16739	0.8
345.18491	5.5
347.20142	0.6
349.18124	0.6
357.18649	2.5
359.20151	5.0
363.19620	0.9
369.18530	4.1
371.16528	0.6
375.19632	1.4
377.21118	1.5
387.19577	8.7
389.21310	3.6
391.22824	3.9
401.21088	11.8
405.20599	4.6
407.22159	1.7
409.23734	0.6
419.22162	21.4
419.27856	1.1
420.22766	0.8
437.23126	6.9
475.79007	0.5
523.24554	1.3
527.24438	3.0
541.25983	2.7
545.25238	0.8
559.26843	1.4
675.29614	2.6
689.31250	1.4
707.26038	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	707.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	3.2
51.07948	1.4
53.03946	6.0
53.06735	1.6
55.01875	14.8
55.05508	10.6
57.03432	7.5
65.03940	1.9
67.05170	2.3
67.05511	28.8
69.03426	10.1
69.07065	6.0
69.13435	1.8
69.25074	4.9
69.25497	10.5
71.04990	3.1
71.05363	1.6
77.03924	2.4
79.05499	23.7
81.02980	2.7
81.03426	35.8
81.07056	21.9
83.04974	9.8
83.08629	8.9
85.02897	6.0
91.05488	34.3
91.52271	1.6
93.07048	22.3
95.01287	1.5
95.04984	21.1
95.08614	17.2
97.02880	5.4
97.06525	5.9
97.10201	2.7
103.05474	48.8
103.15913	1.7
104.59732	1.9
105.03397	15.1
105.04492	3.0
105.07036	30.2
107.04983	8.9
107.08605	14.5
109.02876	2.6
109.06535	6.2
109.10147	6.7
111.04453	3.8
111.08109	3.4
115.03986	3.3
115.05428	8.5
116.06243	2.4
117.07024	18.7
119.08577	27.1
121.06519	4.1
121.10162	11.3
123.11720	3.6
125.09645	2.9
127.03918	3.3
128.06224	7.5
129.05501	2.4
129.07016	20.2
130.07747	3.1
131.04936	100.0
131.08577	24.0
132.05296	3.3
133.06488	4.8
133.10130	28.8
135.08069	5.8
135.11736	6.4
141.07001	5.4
142.07779	7.9
143.08563	16.0
144.09354	3.6
145.06480	12.8
145.10123	16.3
147.08057	64.6
147.09230	3.2
147.11714	6.3
149.09622	11.3
149.13362	1.8
153.07031	3.0
155.08589	8.7
156.09343	11.8
157.10141	29.7
158.07303	2.0
159.08087	21.4
159.11684	20.6
161.09639	29.1
161.13319	3.8
163.07555	19.8
163.11179	6.8
165.06987	3.6
165.12827	2.4
166.07721	2.0
167.08598	4.9
168.09497	2.1
169.10115	13.4
170.10936	6.3
171.08034	6.1
171.11702	41.5
172.08867	1.7
173.06091	4.1
173.09647	16.8
173.13318	7.1
175.07544	7.8
175.11235	7.0
179.08514	3.6
181.10126	5.3
182.10904	3.7
183.08163	2.3
183.11699	30.7
185.09648	9.4
185.13260	35.3
187.07518	2.1
187.11162	8.2
189.09146	2.5
189.12672	2.4
191.10690	3.3
193.10262	3.4
193.12282	8.7
195.11691	6.9
197.09628	6.4
197.13297	12.5
198.10556	2.5
199.11153	12.6
201.09109	6.2
201.12724	4.7
203.14270	2.2
204.09338	1.7
205.12296	2.1
207.11728	3.9
207.13550	1.8
208.12587	1.7
209.09676	3.4
209.13336	3.2
211.11171	5.8
211.13301	7.4
213.09219	3.2
213.12740	28.3
215.10605	2.2
215.14230	2.9
217.12193	4.6
218.10933	2.3
219.11812	2.5
220.12546	2.1
221.09656	1.9
221.13286	4.7
223.11314	3.7
225.12732	5.6
227.10670	3.8
227.12662	3.1
229.12267	4.5
231.11755	2.9
231.13800	6.2
233.15366	4.2
237.12842	2.5
241.12192	11.5
243.13889	4.8
245.13118	2.8
245.15422	23.4
247.11226	2.0
247.14775	2.0
249.12778	2.1
251.14032	2.1
255.13846	6.6
259.13116	9.1
261.12589	2.0
261.22205	1.8
263.16513	3.7
265.12430	1.9
267.15924	6.4
273.14786	17.4
283.11115	2.1
285.16953	4.0
287.14386	2.9
291.15894	4.9
297.12790	4.0
299.14334	3.2
299.17551	1.7
300.06473	1.7
300.14847	2.2
311.14059	2.4
313.16132	2.4
315.17429	7.3
317.19006	5.7
327.17493	9.3
331.20346	2.3
333.18500	2.3
335.25830	13.9
337.27261	2.4
341.19025	4.8
345.04385	1.8
345.18387	6.4
359.19965	8.8
370.33820	2.0
375.19278	2.1
377.21140	1.8
387.19580	9.0
389.21161	5.6
391.22659	6.5
401.21198	17.1
405.20563	5.1
407.21805	2.8
408.97021	1.8
419.22244	26.8
429.21060	2.3
437.23340	8.7
527.37506	3.1
545.38525	9.1
567.27582	2.7
608.90851	2.2
653.40808	2.2
671.41553	2.8
689.41925	4.0
707.41425	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	707.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	4.2
52.94461	1.6
53.03937	8.2
55.01864	6.1
55.05505	6.3
67.05521	8.7
69.03448	2.4
69.07052	2.5
70.06586	4.0
70.52718	1.8
71.04999	2.1
71.55493	3.3
77.03934	4.2
79.05488	9.5
81.03413	5.4
81.07063	8.7
83.04989	7.9
84.86582	1.8
85.02905	3.8
90.27695	1.6
91.05481	18.6
93.07056	9.3
95.04962	21.0
95.08595	5.2
96.63359	2.0
97.02895	2.4
97.06539	2.7
103.05470	48.5
105.03396	95.5
105.04527	7.5
105.07025	25.5
107.04940	4.7
107.08601	7.4
109.06528	4.6
113.89214	1.6
115.05492	8.7
116.06247	2.0
117.07025	9.4
119.04933	2.4
119.08601	13.6
121.06527	2.5
121.10152	4.1
123.08062	2.0
125.06015	2.0
128.06224	6.1
129.06982	7.1
131.04936	100.0
131.08530	8.8
133.06491	16.5
133.10135	6.5
135.08040	4.6
135.11716	2.6
136.08372	1.8
137.05995	3.6
141.06993	5.0
142.07784	5.0
143.04936	3.5
143.08574	14.8
144.05647	1.8
145.06465	10.7
145.10135	8.0
147.08046	11.2
149.06004	3.2
149.09590	3.8
149.18571	1.7
151.07498	1.7
153.07034	3.5
154.07779	2.8
155.08572	6.3
156.09329	8.6
157.06461	1.9
157.10138	14.1
159.08084	9.8
159.11685	5.0
161.05986	25.4
161.09639	6.6
163.07582	5.6
163.11218	4.9
164.11560	2.9
165.07010	4.1
165.09114	5.4
166.07759	1.7
167.08571	5.9
168.09355	2.1
169.06491	3.4
169.10147	12.2
170.10915	5.8
171.08093	7.8
171.11707	19.9
172.08893	1.8
173.06004	4.8
173.09648	7.1
175.07593	8.9
175.11031	1.7
177.09015	2.5
179.07156	1.9
179.08569	6.9
183.08055	6.1
183.11697	11.7
184.08826	3.3
184.12502	1.8
185.09625	7.3
185.13255	15.4
187.07561	5.4
187.11156	3.8
189.05458	4.1
189.09148	3.1
191.06938	2.0
193.10147	3.3
195.08090	3.2
195.11755	3.7
196.08847	2.9
197.09645	12.6
197.13278	2.7
198.10429	3.1
199.07420	3.2
199.11143	16.1
201.09091	3.8
203.06961	8.6
204.09419	1.8
205.08501	2.3
206.10930	3.0
207.11781	4.6
209.09601	4.6
211.07594	4.1
211.11122	7.6
213.09148	7.0
213.12778	13.4
215.08801	2.0
215.10735	4.8
218.10765	2.4
221.08104	4.5
222.27565	1.6
223.07559	4.0
223.11200	3.0
223.14772	2.1
225.09033	13.9
227.12805	3.2
229.10338	2.3
229.12259	2.3
230.10904	2.1
231.09900	2.2
231.11829	3.4
232.08879	2.0
232.12450	3.7
233.13263	2.7
234.13879	2.0
235.07552	2.2
235.11116	2.5
237.08987	1.7
239.10727	2.8
241.08682	5.0
241.12198	3.0
243.09901	3.1
243.11986	2.6
243.13881	3.9
245.09724	2.2
245.13176	4.4
245.15335	11.0
246.10489	1.8
247.11334	3.3
247.14853	3.6
254.10779	1.8
255.11665	2.4
255.13965	2.1
256.12381	4.1
257.08127	7.0
257.11554	3.7
257.30267	1.7
258.14014	3.1
259.09503	3.3
259.14929	4.6
260.15808	1.9
261.12607	2.1
269.13419	2.2
270.13980	2.1
271.10919	3.1
271.14865	2.2
273.14908	3.2
274.13495	2.2
275.10605	2.0
275.14355	3.1
283.14871	3.2
285.11404	5.2
285.16422	3.5
287.14328	3.3
297.12842	3.4
298.13580	4.1
299.18088	2.0
301.15656	3.8
303.17294	4.1
311.14154	1.9
313.15924	3.6
315.13736	2.2
315.17255	1.9
317.15210	2.0
317.18842	2.0
327.13657	2.6
327.17563	4.6
329.15277	2.6
331.16953	5.8
341.15234	4.1
345.13297	2.4
345.18472	3.2
349.17853	1.9
355.17108	3.0
359.16272	4.2
361.13086	6.5
373.18015	7.3
385.14056	2.0
387.19653	2.8
391.19183	3.8
401.17557	2.4
403.14996	2.5
405.20648	5.4
415.19083	4.2
419.14630	2.8
433.20309	9.0
447.21686	3.5
451.27347	2.4
452.27054	2.9
463.17264	8.6
465.22617	3.7
478.28717	7.1
481.18536	5.0
493.21860	1.8
507.23059	2.4
510.31210	3.9
523.19922	8.1
525.24438	2.9
541.20520	13.9
567.25488	2.4
629.23822	2.0
675.27545	2.5
689.28436	2.9
707.30859	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	707.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10032	0.4
55.01875	0.4
55.05506	0.9
67.05517	0.6
69.03432	1.5
79.05486	0.7
81.03408	0.5
81.31187	0.3
83.04985	1.4
87.87807	0.3
91.05497	1.4
93.07071	1.3
95.05009	0.4
98.21555	0.8
103.05494	1.1
105.03418	0.9
105.07054	1.6
107.08609	1.0
109.06543	0.4
115.05495	0.7
117.07049	0.7
119.08598	1.8
121.10195	0.4
129.07042	0.4
131.04944	1.5
131.08592	1.0
133.10176	0.9
141.07010	0.4
142.07811	0.6
143.08577	1.3
145.06532	1.0
145.10170	1.6
146.07246	0.4
147.08060	1.1
147.11673	0.4
149.09598	0.4
155.08601	0.4
157.10185	1.8
157.18460	0.4
158.07289	0.5
159.08113	0.8
159.11653	0.4
161.09682	1.6
169.10165	0.8
170.10934	0.4
171.08128	1.1
171.11711	2.2
173.06010	0.4
173.09685	1.5
175.11272	0.3
181.10075	0.4
183.08156	0.6
183.11717	1.4
185.09589	1.7
185.13312	1.4
187.11172	0.7
195.11758	0.7
198.10371	0.7
199.11154	1.8
200.11909	0.5
201.12668	0.3
211.11179	0.6
213.12741	5.2
219.41008	0.3
223.11163	0.8
231.10199	0.5
270.97894	0.4
273.14972	1.4
274.91339	0.4
281.11615	1.0
297.14523	0.4
301.16031	0.5
317.19046	0.5
343.15207	0.5
349.17322	0.4
356.15857	0.8
401.15842	0.6
417.18704	1.7
561.23926	0.5
587.26099	0.9
647.28296	100.0
648.28601	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	707.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.8
67.05490	1.3
69.07077	1.1
69.30727	5.4
69.31145	1.6
70.06561	0.9
79.05492	1.4
82.06598	0.8
83.04984	0.9
85.02889	1.5
91.05486	2.1
93.07037	3.1
94.06553	3.7
95.04983	1.5
95.07347	2.9
96.08134	7.6
96.08731	1.2
96.10027	0.7
97.06523	1.3
103.05497	0.9
105.07057	1.2
107.08538	0.9
108.08135	8.3
109.02889	1.1
110.09689	10.4
119.08580	0.9
120.08092	7.7
121.10081	0.8
122.06024	3.1
122.09716	1.0
124.07574	0.9
136.07574	6.8
138.05571	0.9
138.09128	12.9
148.07568	3.5
150.09164	1.4
166.08636	13.4
203.07936	0.8
208.10019	0.8
209.10786	2.0
221.10754	0.7
223.12314	1.3
225.10286	2.1
227.12141	0.8
235.08711	2.7
236.09413	2.9
237.10225	14.2
239.11760	1.7
247.08707	0.9
248.09453	1.7
249.10229	18.1
250.07239	0.9
250.11058	4.6
251.08156	1.2
251.11752	5.9
252.12682	1.1
253.09750	4.3
253.13531	0.8
255.11414	0.8
261.10287	3.0
263.08231	3.3
263.11868	1.9
264.08926	6.7
265.09705	18.0
266.10486	2.8
267.11316	6.6
275.08258	1.0
276.08966	2.1
277.09708	15.1
277.12497	1.3
278.10468	7.4
279.08151	0.9
279.11249	13.1
280.09030	1.1
280.11887	3.9
281.09235	3.7
281.12482	1.5
282.09717	0.9
283.10858	2.3
289.09857	1.9
291.07782	1.9
291.11288	2.6
292.08420	2.0
292.12164	2.7
293.05975	1.6
293.09247	27.2
293.12827	7.3
294.09906	3.2
294.13055	0.8
295.10815	3.8
295.14020	0.9
297.08749	1.0
297.12402	1.6
304.08362	1.6
305.09253	6.0
306.10086	2.5
307.10788	10.1
308.11487	0.8
309.08789	2.6
309.12415	6.5
310.13467	1.0
311.10327	3.2
311.13818	1.3
312.11166	1.5
313.11905	1.7
319.10712	4.8
321.12280	1.8
323.10272	6.7
324.11118	1.7
325.11832	6.4
326.12924	1.7
327.13516	5.9
328.14420	1.4
329.15359	1.1
333.08942	3.8
337.11746	6.7
338.12921	1.4
339.13394	17.4
340.14554	1.9
342.12366	1.1
343.12927	1.3
347.10358	1.1
351.09793	15.6
351.13968	1.5
352.14642	2.0
353.11346	1.7
353.15353	1.5
354.12207	1.1
355.13055	3.0
356.13873	3.1
357.14615	1.1
358.15582	1.8
359.16147	1.7
365.11316	7.0
366.12155	3.2
367.13077	1.7
369.14719	1.4
370.11703	3.2
370.15662	1.9
371.12241	3.8
372.17276	1.7
380.14114	1.4
382.11719	2.8
382.15979	1.3
383.12378	5.8
384.13190	3.7
385.13898	7.7
386.14899	1.1
397.13940	22.5
398.14810	4.3
399.10818	3.5
399.15454	1.4
400.16718	2.6
402.18607	1.3
410.15082	0.9
412.12625	1.4
414.18445	1.1
416.16135	2.4
418.17609	6.8
426.14609	3.0
428.16150	3.9
433.20395	1.1
442.18066	1.2
444.15350	1.9
446.16861	8.3
454.13818	7.3
458.17160	1.2
460.18997	1.7
462.20242	0.9
472.14926	14.8
474.16116	1.7
475.16830	0.8
477.18918	1.1
478.19711	5.3
486.16922	1.0
487.16855	1.1
490.19702	3.2
492.17307	8.8
501.30530	0.8
504.17636	4.5
511.69296	1.1
513.77679	0.8
518.19263	12.5
519.19843	2.4
520.20654	0.8
522.22461	2.3
524.23956	8.1
536.20337	4.1
550.21857	100.0
551.22607	46.0
551.31396	1.5
552.23169	1.8
568.22888	47.0
607.21893	1.8
611.24945	1.2
625.22784	8.4
626.22943	0.9
639.24640	4.9
643.24438	1.4
657.25458	23.6
658.26013	0.9
675.26599	9.0
707.29370	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	707.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.4
53.03941	2.4
55.01878	1.1
55.05510	1.1
57.03438	0.5
63.92590	0.5
67.05490	2.5
68.53233	0.5
69.03442	1.1
69.07068	0.7
70.06590	1.3
71.54845	0.6
72.37946	0.6
77.03938	1.1
79.05507	3.4
81.03416	2.5
81.07053	2.3
83.04977	1.9
85.02917	0.8
86.09743	0.5
91.05476	4.8
93.07029	2.9
95.04966	5.6
95.08632	0.9
97.06513	1.0
103.05475	46.8
105.03394	5.2
105.04506	1.4
105.07048	6.0
107.04961	2.3
107.08576	2.0
109.06498	1.9
109.10170	0.7
111.04454	0.6
111.08075	0.8
115.05448	2.1
117.07049	3.6
119.04967	0.8
119.08579	4.3
121.02856	0.8
121.06531	2.9
121.10159	0.7
123.04436	1.7
125.06004	1.1
128.06233	1.9
129.07008	2.3
131.04935	100.0
131.08527	2.9
132.05266	1.7
133.06474	2.7
133.10138	1.9
135.04433	0.6
135.08078	1.8
137.05983	0.9
141.07004	1.7
142.07762	2.6
143.08556	4.0
145.06485	3.4
145.10118	1.9
147.08051	2.0
149.05991	2.7
149.09625	1.1
151.07541	1.3
153.06946	1.0
154.07828	1.8
155.08574	2.3
156.09366	1.6
157.06554	0.9
157.10141	4.5
158.07335	0.6
159.08075	3.1
159.11725	2.3
160.00616	0.5
161.06020	3.8
161.09628	1.9
163.07593	2.6
163.11209	0.7
165.05597	0.6
165.07025	1.4
166.07715	0.5
167.08553	2.0
168.09364	1.0
169.06482	1.4
169.10118	5.8
170.07288	0.7
170.10901	0.8
171.08064	3.1
171.11679	4.9
172.08818	0.8
172.85760	0.6
173.06056	0.7
173.09628	2.9
173.13286	0.8
175.07542	2.3
175.11252	0.5
177.05495	2.0
177.09102	2.9
178.07811	0.6
179.07074	1.3
179.08659	1.4
180.09367	0.7
181.06528	0.5
181.10132	2.3
182.07310	1.6
183.08058	8.9
183.11694	4.4
184.08855	1.3
185.05988	0.7
185.09595	3.3
185.13234	3.4
187.07491	1.8
187.11197	2.0
189.05505	0.8
189.09081	1.0
191.07045	1.7
191.10727	0.6
192.09358	0.8
193.08635	1.0
193.10204	1.3
195.06512	0.9
195.08049	1.2
195.11731	1.2
196.08821	1.0
197.06000	1.0
197.09653	7.0
197.13188	0.9
198.10374	2.5
199.07523	1.0
199.11191	6.6
201.09105	1.8
201.12747	1.1
203.07101	1.0
205.08549	1.0
205.12219	0.6
206.10905	0.9
207.08067	1.6
207.11743	2.0
209.06058	0.8
209.09676	2.4
210.10318	0.9
211.07570	2.1
211.11206	2.0
213.09209	4.3
213.12740	4.5
214.09836	0.7
215.10725	4.3
217.08511	1.0
217.10310	0.7
217.12175	1.0
220.08847	0.9
221.09671	1.5
221.13380	0.8
223.07581	1.3
223.11238	1.4
225.09105	8.1
225.12654	0.9
226.09595	0.7
227.10670	2.0
229.08470	1.0
229.10381	0.7
229.12221	1.1
231.11847	0.8
233.09738	0.9
235.07634	1.4
235.11179	1.5
236.11990	0.7
237.09131	1.5
237.12802	0.9
238.06262	2.1
239.10777	1.8
241.08623	1.6
241.12361	0.9
243.10149	1.9
243.13921	1.1
244.12541	1.0
245.15475	1.4
249.09184	1.8
250.10033	1.4
251.07005	0.7
251.10822	0.6
252.07910	2.4
253.08524	6.4
253.14592	0.6
255.09955	1.1
257.08038	0.7
257.11508	0.6
258.13962	0.7
260.11978	0.6
263.10785	1.0
263.14450	0.7
265.12259	0.9
266.09225	0.5
267.10052	3.0
268.10785	3.3
269.11713	1.0
271.09641	1.1
271.14847	0.8
272.12106	0.6
273.14978	1.9
277.12234	1.0
279.10358	0.6
281.08270	1.0
281.11890	1.7
285.11166	4.7
287.12778	0.9
295.09512	2.7
296.10422	0.6
297.11890	0.5
301.10712	0.8
301.15829	1.2
303.12354	1.0
305.15045	0.7
309.11215	1.4
311.14172	0.7
313.15778	1.1
315.13739	1.3
319.16730	0.9
327.12634	0.8
329.15381	1.4
331.17041	0.7
341.15228	0.6
343.17102	0.8
345.13675	2.2
345.18387	0.7
347.15485	1.6
357.14133	1.8
359.12552	0.9
359.16544	0.8
361.14035	0.9
369.13379	11.0
369.17831	0.4
371.16620	1.1
373.17999	1.8
375.15836	1.9
385.14365	1.2
399.16028	0.6
401.13376	0.6
403.15417	1.6
403.19589	0.9
405.20920	0.9
407.18958	0.6
417.16873	1.1
421.16241	1.7
421.20944	0.8
431.14624	1.0
433.16168	0.7
435.17670	0.7
437.15659	1.1
439.17471	1.0
439.67096	0.6
445.16443	1.8
449.15488	1.1
453.18628	0.8
463.17435	9.2
465.22910	0.8
481.18301	9.3
493.17767	0.7
499.19653	2.3
507.23618	0.7
523.19525	1.0
541.21753	0.6
629.23798	0.7
647.28278	0.6
707.28461	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97100	0.7
52.14911	0.7
53.03941	2.6
55.01862	2.9
55.05504	2.2
60.44469	0.7
61.71609	0.7
61.99013	0.7
67.05511	4.7
69.03435	1.6
69.07063	1.5
70.06587	3.2
71.04985	1.6
71.55424	1.0
72.08134	0.8
77.03951	0.8
79.05491	5.6
81.03426	4.1
81.07065	4.9
82.07421	0.9
83.04968	2.2
83.08614	0.8
85.02895	2.7
86.09691	1.7
91.05482	5.7
93.07065	4.1
95.04980	8.1
95.08593	2.2
97.02883	1.2
97.10188	0.9
103.05473	48.3
105.03387	5.2
105.07027	10.8
106.07351	1.2
107.04945	1.6
107.08588	2.3
109.02878	1.3
109.06518	1.8
109.10158	1.2
111.04446	1.1
114.14249	0.8
115.05444	3.4
117.07016	4.4
119.04957	1.2
119.08613	4.1
121.02886	0.8
121.06527	2.4
121.10186	1.0
123.04426	1.1
123.08070	0.9
125.05965	1.9
128.06195	2.6
129.07021	3.8
131.04933	100.0
131.08572	3.7
132.05299	0.9
133.06497	9.8
133.10117	2.7
135.04399	1.0
135.08055	2.9
136.35744	1.0
137.05916	1.0
141.06975	2.4
142.07782	2.9
143.08563	6.3
145.06464	3.7
145.10127	2.8
147.07999	0.9
149.05954	1.4
149.09607	0.9
151.07591	0.8
153.06857	1.0
154.07753	1.5
155.08546	2.6
156.09366	5.0
157.10141	4.3
158.07275	1.4
159.08064	2.8
159.11716	1.2
161.05992	16.8
161.09618	1.8
163.07520	3.4
163.11150	1.1
165.06978	1.3
167.08554	1.4
169.06467	2.0
169.10115	5.1
170.10851	1.3
171.08035	2.4
171.11725	6.6
173.06042	1.7
173.09619	2.0
173.13278	1.1
175.07549	1.2
177.09140	1.4
179.07140	1.5
179.08533	2.2
181.10045	2.7
183.08153	4.3
183.11693	1.8
184.08817	2.5
185.09608	3.4
185.13222	1.5
187.07553	2.7
187.11168	1.9
189.05371	1.1
189.09070	1.7
191.08568	1.0
192.09476	0.8
193.10120	1.9
195.08041	2.1
195.11792	1.2
196.08815	1.7
197.09637	6.4
198.10364	1.6
199.07530	1.2
199.11218	12.0
201.09158	1.4
203.06992	1.7
207.11755	1.6
209.09622	2.3
209.13402	0.8
211.07553	1.7
211.11143	1.7
213.09184	4.0
213.12737	1.3
215.10661	3.1
217.08487	1.2
217.12001	1.1
219.08267	0.9
221.09608	1.1
221.13274	1.1
223.07568	1.6
223.11206	2.0
225.09077	10.0
227.10652	2.0
229.08548	1.4
229.12123	1.1
231.11575	1.1
235.07532	1.2
235.11092	1.4
237.09120	1.6
239.10635	1.7
241.08595	3.4
243.10048	1.6
245.07863	1.1
245.13326	0.8
249.09003	0.9
251.07112	1.0
251.10664	0.9
253.08492	1.1
255.10150	3.0
256.12366	1.1
257.07916	3.8
257.11768	1.9
259.14862	1.0
267.10092	2.1
271.09613	2.2
281.11438	1.3
283.09656	1.4
283.15350	1.0
285.11108	4.7
297.12527	0.9
301.10748	2.1
301.15921	1.1
303.12381	1.8
309.11319	1.0
329.15332	1.7
331.16888	1.5
357.14737	2.8
359.16016	1.1
373.14105	1.8
375.15875	1.7
377.17523	2.3
385.14191	1.7
391.14883	1.2
395.18417	1.5
403.15396	2.1
413.13593	1.7
417.16876	1.0
421.15842	1.1
431.14737	1.7
433.16495	4.1
437.29425	0.9
439.17230	1.2
445.16504	2.6
449.15814	1.8
451.17566	1.8
451.26639	1.8
452.26929	1.5
463.17471	8.4
478.28717	1.5
481.18555	6.0
493.18219	1.0
509.30957	1.8
510.31079	2.6
599.22382	2.1
611.22388	3.5
629.23547	5.3
647.24927	1.8
675.23938	0.9
689.25714	1.8
707.29041	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	707.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.6
51.02389	1.0
53.03941	1.9
55.01869	2.3
55.05509	0.9
56.67418	0.5
63.23599	0.6
67.05500	1.8
69.03438	1.0
69.66807	0.5
69.92979	2.5
70.06583	1.0
77.03918	0.7
79.05503	4.5
81.03418	2.5
81.07051	1.4
91.05487	4.6
93.07044	2.1
95.04974	7.0
95.08598	1.0
97.02876	0.7
103.05470	43.0
105.03388	1.9
105.04540	1.3
105.07036	7.9
107.04951	1.2
107.08604	1.1
109.06526	1.2
111.04398	0.7
115.05470	2.9
117.06995	3.0
119.04931	1.1
119.08581	2.4
121.02885	0.8
121.06522	2.0
123.04369	0.8
123.08063	1.0
125.06017	1.0
127.42085	0.6
128.06238	2.0
129.06972	3.2
131.04932	100.0
131.08578	4.0
132.05235	1.4
133.06497	6.6
133.10135	1.0
135.04425	1.5
135.08038	1.6
136.19382	0.8
137.05989	1.4
141.07008	2.8
142.07767	2.1
143.08583	6.1
145.06447	2.8
145.10135	1.2
147.08049	3.1
149.06013	2.1
149.09601	0.7
153.05553	0.6
153.07019	1.1
154.07765	1.2
155.08566	2.5
156.09366	3.5
157.06520	1.3
157.10110	3.8
158.07259	1.4
159.08057	4.1
161.05994	11.3
161.09645	1.6
163.07597	2.3
165.05548	0.9
165.07037	1.9
166.07803	1.1
167.08595	1.4
168.09264	0.9
169.06517	1.8
169.10095	3.3
170.10976	1.2
171.07993	2.8
171.11711	5.4
172.08917	0.9
173.05977	1.4
173.09662	2.0
173.41995	0.5
175.07599	1.6
177.09077	0.6
177.52618	0.6
179.07051	1.4
179.08543	2.3
181.10083	1.7
182.07309	1.2
183.08089	3.4
183.11711	1.5
184.08824	2.5
185.05962	0.9
185.09561	2.8
185.13219	1.0
186.27188	0.6
187.07558	2.2
189.05548	0.6
189.09113	2.0
191.08601	0.9
191.10655	0.5
193.10117	1.2
195.08018	1.1
195.11752	1.0
196.08820	0.8
197.05988	0.7
197.09645	5.6
197.13216	0.7
198.10448	1.0
199.07593	2.2
199.11168	14.7
200.08371	0.7
201.09055	1.6
201.12668	0.6
203.06931	1.3
204.09416	1.0
205.08524	0.9
206.10838	0.9
207.10031	0.8
207.11806	1.4
209.09622	1.3
211.07634	1.7
211.11261	1.9
213.09151	3.7
213.12735	1.6
215.07028	0.9
215.10715	2.2
217.08614	1.9
217.12198	0.6
219.11693	0.6
221.09630	1.0
223.07635	1.3
223.11171	1.3
225.09137	8.0
227.10550	1.1
229.08589	1.2
229.12219	1.0
230.10948	0.8
231.11946	1.3
235.07594	1.4
235.09669	1.7
237.09071	0.8
237.12830	0.7
241.08394	2.9
243.10168	2.1
245.08069	2.2
247.09592	1.5
249.09245	0.9
249.12614	0.7
251.10623	0.8
253.08467	0.8
255.10085	1.3
257.08200	2.0
257.11566	1.1
258.14453	0.7
259.09772	1.1
261.08929	0.6
263.10861	1.1
263.14099	0.9
265.12271	1.0
267.10220	1.5
269.07944	0.8
271.09677	1.0
274.13251	0.7
275.14255	0.8
279.10269	1.0
281.11996	0.7
284.11624	0.6
285.11072	3.5
285.16623	0.6
299.10995	0.7
301.10846	1.0
303.12387	2.6
309.11386	0.9
313.12350	0.7
313.16193	0.8
314.12994	1.1
315.13803	1.4
315.17346	0.6
317.15372	0.9
319.12787	0.7
329.15619	0.8
331.16925	1.6
333.14905	1.0
339.13931	0.8
345.14816	1.1
347.16351	0.8
349.18246	0.7
355.12946	0.7
357.14822	1.2
359.16483	1.1
373.14325	1.6
375.15878	1.3
377.17419	2.6
383.12885	0.8
385.14417	1.7
391.15302	0.9
395.18729	1.3
401.13550	0.7
403.15363	2.8
413.13922	1.3
419.15073	0.6
421.16556	1.6
431.14722	1.8
433.16409	4.2
435.18146	1.5
445.16428	1.7
449.15820	2.0
451.17398	2.8
463.17487	8.6
481.18594	5.0
491.16840	0.8
493.18402	1.2
499.19870	1.0
593.21222	0.7
597.20984	0.9
597.60657	0.6
599.22784	1.6
611.23029	3.8
629.24054	3.3
647.24969	1.3
689.25415	1.0
707.28668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.8
53.03939	2.6
53.10138	0.5
55.01880	3.0
55.05505	1.7
57.03429	0.5
58.61350	0.5
65.03952	0.9
67.05519	2.8
68.66085	0.5
69.03432	2.0
69.07077	0.6
70.06590	0.7
71.05022	0.6
77.03934	1.3
79.05494	4.5
80.08484	0.5
81.03417	3.2
81.07050	1.9
83.04979	2.5
91.05489	5.1
93.07058	2.5
94.59093	0.6
95.04975	7.9
95.08602	1.2
96.89903	0.6
97.02890	1.2
103.05476	49.3
104.05781	0.7
105.03377	1.6
105.04468	0.8
105.07034	12.4
106.07381	0.6
107.04952	2.2
107.08607	0.9
109.06532	2.4
109.10174	0.8
115.05455	3.6
117.07027	3.2
119.04946	1.6
119.08598	3.5
121.02877	0.9
121.06544	2.8
123.04436	1.6
123.08089	0.9
125.05959	1.3
128.06226	2.9
129.07005	4.5
131.04936	100.0
131.08603	3.6
132.05260	0.7
133.06516	10.5
133.10104	1.4
135.04390	1.8
135.08080	2.6
137.05034	0.6
137.06023	2.0
141.06999	3.6
142.07768	2.5
143.08580	6.2
145.06493	4.7
145.10159	2.3
147.08067	2.0
147.11664	0.6
149.05986	1.6
149.09599	0.6
151.07603	1.3
153.05684	0.6
153.07043	1.2
154.07730	2.6
155.08546	3.0
156.09357	3.9
157.06493	1.8
157.10132	4.3
158.07303	1.6
159.04446	0.8
159.08070	4.7
159.11694	1.8
161.05986	18.3
161.09648	1.8
162.06789	0.5
163.07535	4.4
165.05566	0.6
165.06982	1.8
166.07819	1.6
167.07193	0.7
167.08572	1.9
169.06467	3.1
169.10126	4.3
170.07271	0.6
170.10915	2.0
171.04535	0.6
171.08089	3.9
171.11725	4.2
172.08800	1.2
173.06009	1.7
173.09586	2.8
175.07547	2.4
177.05492	0.9
177.09096	1.6
178.07813	0.9
179.07056	2.4
179.08609	2.7
181.06531	1.2
181.10110	2.6
182.07298	1.5
183.08080	4.7
183.11714	2.3
184.08936	3.0
185.05991	1.3
185.09608	4.4
185.13213	0.8
186.10310	0.7
187.07550	3.0
187.11198	2.3
189.05447	0.7
189.09081	1.9
191.08614	0.7
192.09442	0.6
193.10130	1.3
194.10930	0.9
195.08101	2.0
195.11693	1.4
196.08760	1.1
197.06033	1.2
197.09644	7.8
198.06746	0.6
198.10406	1.8
199.07559	1.9
199.11192	11.6
200.11943	0.7
201.09155	1.9
201.12604	0.8
203.06999	0.9
203.08714	1.0
205.05080	0.6
205.08572	1.5
205.10248	1.2
207.08083	1.7
207.11757	0.8
209.09674	1.8
210.10378	0.6
211.07593	1.4
211.11221	2.1
212.08304	0.8
213.09123	5.6
213.12753	0.7
215.07034	1.5
215.10590	4.3
217.08627	2.3
218.10909	0.7
219.10068	1.3
221.09717	1.5
222.10425	0.8
223.07544	2.1
223.11150	1.6
225.05705	1.3
225.09108	14.4
226.09641	0.8
227.07027	1.1
227.10590	1.3
229.08548	1.3
229.12173	0.9
230.10948	0.8
231.10031	0.8
235.09529	1.3
235.11513	0.8
237.09204	1.0
239.10721	2.2
241.08510	5.3
243.09999	3.6
245.08145	1.6
247.09471	3.0
249.09235	1.2
250.09883	0.7
251.10822	1.3
253.08473	0.8
255.10234	2.2
257.08017	7.1
257.11853	2.4
259.09503	4.0
263.10785	0.8
267.10123	1.3
271.09409	1.2
273.12714	0.6
277.12149	1.1
279.10309	0.8
281.11682	0.7
283.09500	0.9
285.11038	4.5
286.10007	0.6
286.13492	0.8
287.14322	0.8
289.12363	1.3
289.15808	0.6
296.12039	0.8
297.13101	0.7
298.13287	0.9
299.14279	0.9
301.10721	2.7
303.12192	2.8
309.11295	0.7
311.14252	0.7
313.12067	0.8
315.13742	1.3
317.11902	0.6
317.15204	1.0
319.13126	0.6
329.15320	1.4
331.16895	0.9
333.14810	1.0
339.13684	1.3
343.13162	0.7
345.13266	3.7
347.16370	0.9
349.17877	0.6
355.13428	0.9
357.14786	1.8
359.16248	1.3
361.12900	4.7
363.14825	1.0
373.14139	1.0
375.15906	1.5
377.17502	1.7
385.14355	3.3
387.15689	0.7
389.13773	0.7
391.15402	1.1
393.17041	0.9
395.18536	1.0
399.15387	0.5
401.13510	1.3
403.15280	2.8
413.13715	1.5
417.17044	1.3
419.14954	2.0
421.16360	1.0
431.14960	2.0
433.16519	1.6
435.17941	1.4
445.16394	2.7
449.15936	2.0
451.17490	2.4
453.19376	0.9
463.17563	9.9
481.18594	5.6
499.19757	0.7
505.18622	1.6
509.18045	1.0
511.19617	3.1
523.19476	7.1
541.20697	11.5
542.21509	0.7
545.98163	0.6
559.21869	1.8
591.71045	0.6
629.23950	1.7
671.24292	1.1
689.26202	1.5
707.29419	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
68.40617	0.5
69.03433	1.1
70.39586	0.6
71.40343	0.8
74.00813	0.5
82.99844	1.4
85.02911	2.1
97.02878	1.8
98.97572	1.4
101.00879	6.2
109.36283	0.5
113.00816	1.1
119.01926	9.4
119.04913	0.9
122.01354	2.8
122.51459	1.0
126.30443	0.5
127.02394	1.6
127.03893	1.0
128.01349	0.7
129.00485	0.6
129.04012	0.8
131.01913	5.1
137.01913	1.8
137.02933	0.9
137.51889	0.7
139.02402	0.9
143.01903	18.5
145.03543	5.9
145.04601	1.0
147.04391	3.1
149.01913	1.2
149.03001	0.5
152.02394	1.8
154.79295	0.7
155.01903	9.4
157.03482	3.2
160.74820	0.6
161.02971	13.3
164.02412	1.0
167.01883	8.1
169.03485	3.1
170.02420	0.6
171.05042	2.2
173.02979	16.8
173.52994	1.5
175.04570	1.3
177.05435	2.0
179.01819	3.3
185.02972	31.6
187.04492	3.6
190.48178	0.6
191.03934	0.9
193.03560	1.2
194.03510	1.3
197.02954	12.9
199.04480	0.8
203.03954	10.8
209.03015	0.8
215.04031	9.2
219.01555	0.7
221.03114	0.9
221.05144	1.2
224.04544	0.7
224.54677	0.6
227.03993	6.7
243.01741	0.8
245.05089	100.0
246.05351	1.3
257.05121	5.1
262.72012	0.7
263.06149	13.3
273.08313	0.7
275.06122	13.1
283.06686	1.2
283.56815	0.7
284.06616	5.5
284.56683	1.4
286.07635	0.7
293.07147	2.4
305.03696	0.8
305.07162	13.8
321.10510	1.1
335.08163	3.4
337.10074	0.8
347.08252	1.3
363.09875	0.8
363.60223	0.8
364.09378	1.4
364.59598	1.2
365.09354	45.8
365.59344	2.1
366.09366	0.7
383.10098	1.4
407.10278	1.2
425.11450	40.6
426.11713	1.0
437.11420	2.5
455.12512	3.5
485.14273	1.1
502.08182	0.6
535.65582	0.8
707.18134	2.1
715.16559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	15.2
60.05652	12.5
67.05502	26.8
70.62021	25.0
79.05499	30.0
81.07069	17.4
87.04476	100.0
91.05478	25.7
93.07047	31.9
95.08607	15.9
107.08614	11.4
109.10176	13.4
117.07035	13.4
119.08616	14.2
121.10152	24.0
131.08617	13.4
147.11682	10.8
166.47952	9.2
184.40173	8.3
191.99786	9.6
216.51041	7.6
243.81845	8.2
275.20074	12.6
286.83533	9.3
349.23703	10.4
351.25244	31.7
599.42999	32.2
630.94434	9.1
657.47345	14.8
706.48883	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12700	0.5
66.43838	0.4
70.42888	1.5
77.25114	0.4
82.99863	1.2
87.74716	0.4
97.05003	0.4
98.97575	0.6
101.00879	5.6
109.02962	0.4
113.00900	1.1
119.01924	8.0
122.01397	1.0
127.02428	1.4
131.01920	4.0
133.60165	0.4
134.01427	0.5
137.01895	1.0
139.02367	0.7
143.01906	18.3
143.52017	0.5
145.03479	7.2
152.02473	0.8
153.03972	0.6
155.01900	11.0
157.03522	2.8
161.02980	11.4
165.62338	0.5
167.01892	8.6
169.03423	3.0
171.05098	2.2
173.02968	12.3
178.70921	0.5
179.01816	3.2
185.02962	30.9
186.03221	0.5
187.04539	3.4
194.03609	0.8
197.02957	12.4
199.04659	0.9
203.03842	5.7
203.05676	0.8
209.02972	1.5
215.04018	7.0
221.04996	0.6
227.04008	6.9
239.03940	1.1
245.05092	100.0
246.05307	1.6
257.05099	5.4
263.06177	9.9
275.06137	11.9
284.06598	1.7
284.56653	0.7
292.32657	0.4
293.07330	2.3
305.07196	12.2
317.07242	1.0
335.08221	3.7
347.08197	1.2
365.09341	43.7
366.09558	1.2
381.07953	1.1
383.10092	1.4
396.32614	0.5
407.10358	0.8
425.11432	39.9
426.11743	1.1
437.11520	3.2
455.12567	3.5
485.13223	1.1
707.18420	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	706.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59311	1.1
52.43090	0.9
53.03938	4.2
55.01873	2.5
55.05514	18.3
57.03445	11.3
57.07073	2.9
61.02912	1.2
63.57549	0.9
65.03947	5.3
67.05510	100.0
69.07076	24.5
71.04974	3.5
71.14979	2.1
79.05498	67.8
81.03429	1.3
81.07063	94.6
83.04967	3.4
83.08625	13.8
85.06530	4.3
87.04471	4.9
87.12148	0.9
91.05485	44.7
93.07050	73.4
95.04963	4.4
95.08614	71.6
97.06514	7.2
97.10175	4.5
99.08084	2.1
101.05930	0.9
103.05446	1.1
105.04486	1.4
105.07039	25.1
107.07877	1.7
107.08599	34.6
109.06540	2.4
109.09463	1.7
109.10164	23.2
109.10913	1.4
111.08055	4.0
113.09677	1.0
117.05500	1.8
117.07016	9.1
117.93762	0.9
119.08590	22.0
121.10153	60.3
123.08088	1.5
123.11749	7.9
123.25695	1.2
125.09605	1.6
129.07039	1.2
131.08580	17.0
133.10139	17.3
135.08099	1.3
135.10686	1.9
135.11705	32.6
137.09613	1.4
137.13293	1.9
139.11174	1.2
143.08530	1.9
145.10136	11.6
147.11705	16.3
149.09605	1.8
149.13275	10.6
151.11205	1.7
151.14850	1.0
157.10153	2.5
159.11707	9.2
161.13246	12.5
163.11197	2.2
163.14793	3.0
165.12723	1.4
171.11696	2.6
173.13315	5.7
175.14828	3.9
177.12767	3.3
179.14343	2.6
185.13257	3.3
187.14783	3.0
199.14787	1.4
201.16411	1.4
241.19527	3.3
243.21181	3.2
259.20602	16.0
261.22192	14.5
277.21582	11.3
279.23257	3.5
303.23138	3.7
315.23083	3.4
321.24252	13.9
333.24216	25.9
335.25812	4.4
351.25305	93.9
352.25406	1.9
393.26318	2.4
395.27948	80.4
396.28314	1.9
514.92487	1.1
611.47003	1.3
653.47607	8.3
671.48907	55.4
672.48480	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	706.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01871	3.0
55.05298	0.6
55.05515	5.3
56.05027	1.1
57.03441	1.5
58.76569	0.5
60.21097	0.5
61.02924	1.3
62.06089	1.2
67.05510	8.0
67.60544	0.5
68.05038	0.5
68.99794	0.7
69.03432	10.9
69.07068	10.7
70.06608	3.1
71.05003	2.9
71.07383	0.7
71.55344	0.8
72.08161	6.1
73.02914	2.2
73.06544	0.6
79.05492	5.5
81.03420	9.3
81.07061	15.1
83.04984	2.4
83.07347	0.7
83.08633	2.5
84.04508	0.6
84.08147	2.2
85.02910	15.1
85.06539	2.1
86.06073	33.3
87.00836	4.4
87.04472	1.3
91.03938	0.9
91.05487	5.6
93.07040	4.9
95.04964	2.4
95.08617	6.8
96.08148	5.3
97.02899	7.0
97.06535	4.1
97.10138	0.6
98.06073	3.5
98.09696	10.9
99.04456	4.5
99.08085	0.9
100.07626	2.2
103.05457	1.0
105.01871	2.5
105.07028	6.1
107.04956	0.7
107.08610	6.2
108.08119	3.2
109.02879	6.9
109.06528	2.3
109.10149	3.9
110.09690	1.0
111.08077	1.1
112.07610	0.9
113.06049	0.7
114.09181	2.2
115.07586	3.7
116.10738	80.1
117.07031	1.3
117.11089	1.0
119.08577	6.6
120.08081	0.7
121.06528	0.7
121.08900	0.6
121.10158	5.8
122.09668	2.2
123.08060	1.0
123.11703	3.7
124.07610	2.4
125.06020	1.0
126.09164	0.8
126.84993	0.6
127.03925	10.9
128.07152	0.6
129.01854	1.1
129.07024	1.4
131.04942	1.5
131.08563	2.4
133.10130	6.5
134.09665	1.0
135.08047	0.8
135.11674	3.8
136.11212	0.9
137.05980	0.7
137.09645	0.9
138.09109	0.8
139.11186	0.6
140.10695	2.6
141.09320	0.6
142.07680	0.7
142.08641	4.6
143.08578	1.1
144.06578	1.3
145.04982	2.6
145.10124	2.4
146.08113	2.3
147.02832	0.6
147.08015	0.6
147.11700	9.1
149.09663	1.4
150.91789	0.7
151.07570	0.6
151.11156	1.3
154.12312	1.1
155.10674	0.7
157.10124	4.4
159.02907	2.5
159.08168	0.6
159.11707	3.0
161.13283	1.3
163.14771	0.8
165.09137	2.0
165.12755	3.6
171.11710	1.1
173.13283	4.1
175.11220	3.4
175.14861	1.3
187.14868	2.3
193.12283	1.9
201.16380	1.4
203.17929	1.7
210.14969	0.5
211.16833	0.6
212.16489	10.5
213.03996	0.6
213.12758	1.0
213.14815	0.8
220.12370	0.7
222.22192	0.5
224.20293	0.7
229.14388	1.3
230.17513	5.0
231.04945	1.2
236.16493	1.0
237.14784	1.2
243.11655	0.7
243.21121	5.1
248.19998	1.0
255.15900	1.3
261.22159	6.7
264.23257	1.1
266.21216	2.5
267.15533	0.7
272.18692	1.8
277.60611	0.6
279.23358	0.7
282.24319	7.2
284.22202	5.6
290.21240	0.8
301.11978	0.6
308.22205	6.3
326.23309	7.6
333.48404	0.7
344.24329	100.0
345.24661	1.8
355.08270	1.0
388.92612	0.6
399.10770	5.3
440.30270	3.8
458.31265	5.3
460.21942	0.8
473.25696	0.7
478.22913	3.0
491.26608	2.3
506.29956	2.9
509.27155	1.3
511.19351	1.2
518.90259	0.6
548.30664	6.6
574.28021	1.1
592.29694	73.7
593.29688	1.7
688.36255	2.7
706.36804	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	706.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01870	1.9
55.02121	0.5
55.05516	5.3
56.05035	1.0
57.03443	1.5
60.04503	0.6
61.02926	1.3
62.06101	0.8
67.05508	6.3
68.99809	0.5
69.03436	7.9
69.07074	8.1
69.35535	2.8
69.35956	2.1
70.06598	3.7
71.04993	2.6
72.08157	4.9
73.02927	1.7
79.05504	4.1
81.03426	7.3
81.07061	11.9
82.06585	1.0
83.04982	1.5
83.08627	1.5
84.08141	3.1
84.16615	0.6
85.02905	7.7
85.06556	1.6
86.06075	33.5
86.09703	0.9
87.00835	2.5
87.04478	1.3
88.04021	0.8
91.03970	0.8
91.05488	5.3
93.07045	3.7
95.04990	3.1
95.08612	5.0
96.08123	6.1
97.02885	4.4
97.06533	3.1
97.10188	0.6
98.06061	2.8
98.09699	11.0
99.04457	3.3
100.07630	1.9
103.05474	0.5
105.01870	1.4
105.07047	5.1
107.08593	3.6
108.08149	3.0
109.02890	5.2
109.06525	2.0
109.10161	2.1
111.04427	0.8
111.08095	0.7
112.07578	0.7
114.09161	1.7
115.07574	3.2
116.07074	1.3
116.10736	75.3
117.07014	0.8
119.08606	4.3
121.06554	0.8
121.10155	2.0
122.09693	2.1
123.08107	1.3
123.11692	2.7
124.07610	3.3
125.05974	0.6
127.03922	6.2
129.07045	1.2
130.08667	0.6
131.04926	0.8
131.08598	1.8
133.10133	3.1
135.08078	0.7
135.11697	0.6
136.11183	0.7
138.09148	0.8
140.10741	1.6
142.07759	0.7
142.08652	4.2
144.06563	1.1
145.04953	1.2
145.06525	0.7
145.10126	0.9
146.08102	0.8
147.11671	9.0
149.09692	0.8
149.13179	0.6
151.11246	0.9
152.10669	0.9
157.10138	3.2
158.11812	0.8
159.02913	1.1
159.08072	1.2
159.11702	0.7
163.07593	0.8
165.12778	2.5
171.11662	1.0
172.63832	0.6
175.11198	3.0
183.11664	0.8
185.13321	0.7
187.06126	0.7
187.11252	0.8
193.12288	2.3
197.09856	0.6
197.13269	0.6
212.16457	6.9
213.12807	0.9
213.14861	0.7
224.19998	0.7
229.14238	0.7
230.17520	1.1
234.22264	0.7
236.16565	1.7
237.14702	1.0
248.20055	0.8
255.15965	1.0
264.23288	1.5
266.21082	2.7
272.18451	3.5
282.24329	6.2
284.22260	5.6
308.22147	6.1
313.03256	1.0
326.23245	9.0
344.24319	100.0
345.24765	2.1
355.08243	1.1
399.10748	6.0
430.27863	1.6
440.30096	1.9
458.31061	4.1
460.22040	0.6
461.50253	0.7
478.22867	0.7
491.26517	0.6
494.30966	0.9
506.29779	4.1
548.30652	7.8
550.21722	1.0
553.93915	0.6
574.28314	1.4
592.29657	68.1
593.29889	2.8
656.37109	0.7
688.35345	1.8
706.36774	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	706.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	7.8
53.03949	11.6
55.01870	15.8
55.05504	25.6
67.05510	40.7
68.11736	7.8
69.03431	22.0
69.07072	14.1
70.06603	12.9
70.90871	7.4
72.77173	7.3
75.03913	7.1
79.05485	24.5
81.03420	31.5
81.07070	41.2
83.04977	16.0
85.02932	8.1
91.05489	49.2
93.07047	33.9
94.07386	12.9
95.04975	25.0
95.08620	23.3
97.06526	11.9
97.09037	9.3
103.05486	51.7
105.03384	23.4
105.07043	25.5
107.04945	17.6
107.08557	16.6
109.02913	11.1
109.06564	13.1
109.10172	12.3
115.05459	17.5
115.82502	7.8
117.07056	19.7
119.08574	44.0
121.06456	13.7
121.10138	9.8
129.07018	22.8
131.04939	100.0
131.08592	39.5
133.06483	8.8
133.10130	20.0
142.07762	9.7
143.08536	13.3
145.06497	20.4
145.10191	28.7
147.08046	90.7
149.09619	24.9
156.09372	10.1
157.10179	29.2
159.08055	44.1
159.11702	37.4
161.09625	33.8
163.07562	36.7
169.10123	17.1
171.11722	28.7
173.09666	19.6
175.07558	13.5
183.11769	41.5
185.09639	11.7
185.13223	19.7
187.11258	14.4
197.09618	13.3
197.13220	11.7
199.11124	10.8
201.12808	23.3
211.11192	18.6
213.12810	20.8
221.13174	10.7
223.11296	10.6
229.12183	15.4
233.15392	15.0
243.13914	11.1
249.12787	9.7
257.13474	8.7
261.14850	20.3
315.17490	19.4
333.18579	12.2
347.20102	11.2
357.18600	11.4
375.19662	16.7
385.18396	9.2
389.21112	33.0
407.22318	35.5
414.17920	10.9
417.20551	15.2
425.23355	19.8
435.21671	49.6
453.22745	25.0
544.37445	14.6
684.02380	9.7
706.40186	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
53.88992	2.8
55.01880	6.9
55.05269	5.2
55.05516	74.5
65.03947	4.2
67.05505	9.1
69.03417	6.0
69.07065	5.5
69.23685	20.6
69.24105	7.7
70.06594	3.6
79.05491	13.9
81.03413	7.1
81.07067	15.3
83.04986	100.0
91.05486	24.8
93.07048	22.9
95.04978	12.8
95.08630	18.2
97.06548	5.0
103.05451	11.1
104.73949	3.1
105.03392	10.8
105.07040	30.6
107.08615	14.8
108.01564	3.0
109.06515	8.9
109.10214	3.6
115.05454	11.1
117.07021	13.2
119.04959	6.9
119.08592	34.0
121.06472	8.6
121.10140	8.6
123.08055	10.9
128.06273	6.4
129.07022	10.4
131.04953	28.4
131.08551	23.7
133.06523	14.8
133.10136	26.6
135.08131	16.5
137.09648	3.4
141.06985	7.0
142.07808	9.6
142.80531	3.2
143.08575	21.1
145.06496	7.0
145.10150	21.1
147.08051	17.9
147.11745	4.9
149.05994	7.5
149.09612	16.1
151.07501	5.1
153.06999	4.6
155.08542	16.3
156.09331	11.1
157.10156	44.9
159.08055	10.5
159.11685	13.5
161.06029	16.2
161.09639	12.4
163.07545	7.4
163.11220	6.8
165.07086	3.3
165.09088	5.5
167.08580	6.6
169.10130	27.6
170.10896	14.8
171.08060	10.9
171.11714	65.1
172.12242	4.5
173.09688	15.9
173.13194	7.2
175.07507	5.5
175.11192	6.6
177.05479	9.2
177.09102	6.3
179.07103	6.8
179.08536	5.5
179.10678	3.2
181.10094	9.6
183.08049	7.7
183.11699	45.3
184.12340	4.2
185.09622	12.4
185.13263	59.2
187.11201	12.9
189.05486	6.2
189.09154	4.0
191.10616	3.1
193.04811	3.4
193.10172	8.2
193.12260	4.2
194.10968	4.9
195.11740	15.2
197.09625	12.2
197.13284	13.6
198.10291	6.8
199.07626	5.0
199.11157	24.0
201.05530	4.7
201.09081	5.1
201.12747	11.1
203.10634	4.1
205.10341	3.7
205.12233	5.8
206.10951	5.1
207.11644	11.1
209.09720	6.3
209.13351	7.2
210.10635	3.3
211.11247	16.6
211.14824	3.4
213.09186	5.2
213.12761	59.5
215.10765	5.6
215.14392	4.9
216.09418	3.3
217.10219	6.5
217.12112	7.9
219.11784	5.3
220.12488	9.8
221.13326	9.8
223.11229	9.0
225.12833	6.8
229.10162	6.6
229.12358	10.1
230.10995	5.9
231.11908	4.6
231.13849	7.8
232.12534	7.4
233.13326	6.7
234.14178	3.7
235.11243	6.8
237.12636	6.2
241.12193	9.9
243.11812	5.9
243.13835	16.0
244.12439	9.6
245.13203	9.8
245.15405	30.7
246.13962	8.6
247.11308	5.7
247.14799	10.3
249.12807	5.9
249.16402	6.8
253.12320	4.4
255.13802	8.3
256.12363	4.1
257.13202	9.8
257.15594	5.0
258.13986	9.1
259.14764	16.2
260.12027	4.3
260.15433	8.8
261.12613	6.8
261.16589	8.5
263.14081	4.8
265.12180	3.9
265.15927	4.9
269.13351	4.6
270.14081	6.9
271.14767	11.4
272.15460	6.4
273.12344	5.2
273.14600	19.3
274.17126	3.5
275.14514	6.5
275.17853	8.5
277.15948	5.4
283.10974	3.7
283.15057	3.4
285.16382	9.4
286.17096	4.0
287.14307	6.6
287.17868	4.0
288.14783	5.9
289.15640	10.1
291.16162	11.1
293.15393	5.1
299.14233	8.8
301.15674	5.9
303.14005	5.1
303.17325	16.7
305.15302	3.9
307.16467	4.0
313.15918	9.8
315.17432	7.2
317.15225	8.7
317.18863	5.9
319.13266	4.6
319.16791	6.6
321.18555	6.3
327.17523	6.5
329.15390	5.4
329.18872	6.0
331.16940	11.8
333.18356	9.2
335.16415	5.7
335.20053	4.6
337.18146	3.9
341.15436	5.3
343.16788	3.7
345.18430	11.1
347.16260	6.5
347.20047	5.5
349.18021	13.1
351.19147	3.7
355.16757	6.6
359.16541	22.2
361.18024	6.1
363.19662	13.4
365.17474	4.5
369.20490	5.4
373.18042	27.8
375.19693	4.9
377.17419	17.3
377.21524	4.9
381.20447	4.7
391.19125	23.5
401.17545	18.2
405.20587	14.5
407.22357	5.6
409.19849	7.3
415.18997	3.6
419.18613	24.2
421.19843	4.2
423.21649	28.6
429.22382	4.2
433.20038	37.3
437.19235	7.5
438.92203	3.6
441.22601	13.6
451.21213	45.9
469.22311	32.3
477.28720	4.9
483.23499	6.5
493.22110	5.5
501.24716	6.1
509.31079	3.4
511.23273	10.3
529.24146	13.2
571.28241	5.0
601.29822	12.6
611.28754	7.1
629.29517	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	706.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
53.47150	4.0
54.62704	3.9
55.01859	11.8
55.05273	6.1
55.05514	72.0
57.03429	4.0
66.12727	2.9
67.05516	21.8
69.03422	8.5
69.07074	8.6
69.71331	3.1
70.06571	14.0
71.56164	5.0
72.08150	5.1
73.45051	3.1
79.05491	25.5
81.03410	11.0
81.07049	26.8
83.04987	100.0
83.08639	7.8
84.05330	4.6
85.02888	4.9
85.06535	4.4
86.09693	4.8
91.05482	28.5
93.07051	25.3
95.04964	15.5
95.08582	15.8
97.02902	4.7
97.06522	6.8
97.10122	4.0
103.05461	16.3
105.03377	15.5
105.07037	49.4
107.04954	10.6
107.08578	15.8
109.06511	11.6
109.10157	12.9
115.05449	7.9
117.07050	19.0
119.04925	5.3
119.08592	46.2
121.06540	9.0
121.10146	10.2
123.08070	3.2
128.06238	7.2
129.07014	13.5
130.07802	4.4
131.04933	32.2
131.08594	28.8
132.05232	5.3
133.06502	21.3
133.10120	39.9
135.08061	12.8
135.11673	5.1
141.07008	7.7
142.07784	12.2
143.08553	30.6
145.06485	15.9
145.10138	31.3
147.08051	17.8
147.11649	6.3
149.05974	5.3
149.09607	8.0
153.06970	3.8
155.08536	17.1
156.09389	21.0
157.06447	5.4
157.10120	40.4
159.04480	3.8
159.08046	15.5
159.11717	23.6
161.06012	17.6
161.09656	15.1
163.07500	6.8
163.11214	16.6
163.60829	3.5
165.05350	3.7
165.06833	5.1
165.09142	5.2
167.08548	5.3
169.10164	23.4
170.10878	15.0
171.08023	11.8
171.11688	73.9
172.11929	4.1
173.06009	6.5
173.09627	16.6
173.13306	9.3
175.07629	16.7
175.11215	3.7
177.05441	8.3
177.09084	7.9
179.07045	4.5
179.08568	5.2
179.10622	6.6
181.10149	8.5
182.10858	4.6
183.08063	8.0
183.11678	50.0
184.07263	7.7
184.12151	4.3
185.09602	16.1
185.13240	68.2
187.07503	4.5
187.11218	17.1
189.05499	6.3
189.09122	7.1
193.08575	5.7
193.10173	8.8
194.10822	4.6
195.08093	3.9
195.11676	19.5
196.12193	6.0
197.09586	12.1
197.13235	14.5
198.10379	6.7
199.11165	28.2
200.11813	6.7
201.09200	5.8
201.12735	9.2
205.10254	7.9
206.10905	4.9
207.11707	16.5
209.09631	8.6
209.13197	4.4
211.11182	20.8
213.09088	11.0
213.12767	57.0
215.08688	4.7
215.10606	7.7
215.14209	5.2
217.10355	5.6
217.12267	8.2
219.11658	6.3
221.13234	11.2
223.11156	6.9
223.14839	3.7
225.12810	4.6
229.12231	14.5
229.14305	7.0
230.10759	6.1
231.10017	7.2
231.11943	5.2
231.13850	10.5
232.12413	7.5
233.13264	9.7
233.15317	4.4
234.11339	3.5
235.11176	5.3
235.14917	4.4
241.12283	10.0
243.11674	7.7
243.13824	14.8
244.12393	5.8
245.13359	5.4
245.15390	35.3
246.13907	7.7
247.14873	11.2
249.12712	8.7
251.10683	3.7
255.13901	4.5
256.12201	4.5
257.13190	12.0
258.14038	9.4
259.11038	5.6
259.13199	3.7
259.15097	6.0
261.12723	8.3
263.16534	4.2
267.11154	3.5
267.16043	4.9
269.13135	8.5
270.13974	6.4
271.10880	4.9
271.15073	4.3
272.15555	5.4
273.14783	27.7
277.12134	3.5
282.13989	7.0
283.15115	12.7
284.12039	4.0
284.15479	5.9
285.16431	13.6
286.13574	7.3
287.14362	7.3
287.17783	4.5
288.14850	4.4
289.11917	4.6
291.12869	4.6
291.16013	12.2
293.15332	3.6
297.12732	5.2
299.14383	6.2
299.17761	5.6
301.15988	7.2
303.13950	6.3
303.17371	7.3
313.15762	8.1
315.13678	7.8
316.14725	4.5
317.15314	5.2
327.13721	5.0
327.17474	10.6
329.15353	7.5
330.16205	5.3
331.16800	13.9
341.15329	11.4
343.16879	7.5
345.18405	13.1
347.16245	8.4
349.17871	7.9
355.16757	12.6
359.16312	23.0
373.17987	32.7
377.17392	10.9
383.16165	8.3
387.19470	4.4
389.17410	8.3
391.18909	18.9
401.17523	29.5
403.19000	6.0
405.20471	12.7
409.20041	8.1
415.18967	15.2
419.18564	44.4
421.20261	9.9
423.21597	12.3
433.20120	55.8
437.19522	26.1
451.21255	64.0
459.27121	8.0
469.22290	29.0
477.28268	8.5
479.20523	12.1
493.22079	7.4
497.21585	14.4
509.27414	13.8
511.23175	20.0
527.28418	6.5
529.24457	8.9
533.25671	5.0
579.25293	5.1
597.27441	9.0
629.29327	9.4
671.33069	5.2
706.33496	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	706.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01872	0.7
55.05517	6.3
56.05036	3.7
57.02324	0.3
57.03432	0.5
58.06603	2.9
62.06082	0.8
67.05499	2.1
68.05030	0.9
69.03426	1.3
69.07077	0.8
69.28690	0.6
69.29029	3.4
70.06603	2.4
71.04972	0.6
72.04523	6.5
72.08130	0.4
73.02969	0.4
74.06084	5.8
74.09729	0.4
79.05507	2.8
81.03422	1.9
81.07067	2.8
82.02959	0.4
82.06549	0.6
83.04990	7.4
83.08623	0.5
84.04481	0.6
85.02901	1.6
85.06591	0.4
86.06077	6.2
88.04021	0.9
88.07634	4.8
91.05487	2.5
93.07076	1.9
95.04973	1.7
95.08610	1.8
96.04498	1.4
97.02869	0.9
97.06536	0.8
98.06065	4.4
99.59026	0.4
100.03983	1.5
100.41722	0.4
101.04765	0.6
102.05547	0.5
103.05498	0.5
104.07116	5.2
105.03391	1.4
105.07020	3.0
107.04983	0.8
107.08649	1.8
109.06533	1.4
109.10139	0.9
110.06008	0.5
111.08084	0.4
114.05537	14.2
115.07567	0.4
116.07101	9.7
116.10763	1.2
117.06995	0.6
119.04934	0.4
119.08592	3.6
121.06519	1.0
121.10130	1.2
123.08055	1.9
126.05508	3.4
127.03951	0.6
127.06300	0.4
127.07571	1.1
127.52620	0.3
128.07086	3.8
129.07030	0.9
131.04962	0.7
131.08582	2.3
132.06624	2.2
133.06523	0.5
133.10161	1.6
135.08081	1.2
137.05913	0.7
141.07001	0.4
142.05011	12.9
142.07719	0.5
142.08704	0.7
143.08589	1.8
144.06569	100.0
145.07353	0.6
145.10101	2.7
147.08070	1.3
149.09650	0.8
155.08606	1.3
156.09328	1.0
157.10133	4.1
159.08101	1.4
159.11713	2.4
160.06044	2.1
161.06061	0.7
161.09624	0.7
162.07625	1.7
162.08882	0.4
168.06563	1.2
168.09373	0.7
169.10136	3.6
170.10918	2.2
171.08156	0.7
171.11667	2.6
173.09634	2.0
173.13300	0.9
175.11150	0.6
179.08629	0.7
180.09169	0.5
181.10060	0.9
182.10938	0.3
183.08182	0.4
183.11711	13.2
184.12277	0.7
185.09596	1.0
185.13246	2.3
187.11189	1.1
188.09196	3.9
189.12730	0.5
191.10678	0.4
193.10155	1.7
193.12213	0.5
195.11749	1.7
197.09593	0.9
197.13324	1.0
199.11191	1.0
201.09152	0.7
201.12823	1.9
206.10960	0.5
207.11702	1.9
208.12532	0.7
209.13289	1.9
211.11168	2.3
211.14807	1.1
213.09123	0.5
213.12811	1.3
215.10570	0.6
217.10054	0.6
218.10931	0.4
219.11833	0.5
220.12375	0.7
221.13307	2.8
222.14029	1.4
223.11223	0.8
223.14822	1.9
224.15349	0.5
225.12776	0.6
225.16420	0.9
229.12329	1.2
231.11682	1.0
231.13788	0.7
232.12552	1.1
233.13319	0.8
234.14171	0.5
235.11169	0.6
235.14873	1.0
237.12744	0.8
237.16405	6.3
239.10805	0.4
239.14406	1.1
243.13876	0.8
245.13411	0.6
246.14029	1.0
247.14835	1.6
249.12752	0.9
249.16426	0.8
251.14223	0.9
253.12267	0.5
253.15894	0.5
259.15158	0.6
260.11810	0.5
261.16483	1.5
263.11267	0.4
263.14310	1.5
263.17892	1.8
265.13089	0.6
265.15887	4.8
267.13535	2.4
267.16153	0.7
277.15933	1.1
279.14371	0.7
279.17285	3.4
279.19675	0.3
281.15469	0.8
283.17206	0.5
285.17221	0.4
287.14365	0.7
289.15646	0.6
291.13693	0.5
291.17331	0.5
293.15060	0.5
305.15335	0.6
307.16965	4.1
309.15076	0.6
309.18536	0.5
317.15314	0.8
319.17078	0.5
321.18320	0.5
323.16348	0.4
325.18002	1.7
326.22116	0.4
335.16486	1.3
339.19519	0.4
341.17624	1.1
349.18109	0.7
353.17642	1.2
367.19110	1.1
369.20428	0.5
385.20132	1.0
422.24216	0.5
423.24976	0.4
441.26395	0.6
459.27408	1.7
468.24203	0.4
470.26218	0.6
477.28278	1.8
484.23257	0.5
496.23224	1.1
509.27466	1.2
510.24716	0.9
528.25739	1.7
545.27533	7.7
588.27728	0.7
602.62415	0.4
608.29022	0.5
610.29962	1.1
628.30615	1.1
670.31958	1.1
688.33313	15.6
689.33173	1.2
706.34192	2.4
729.18451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.3
54.57380	4.4
55.01870	6.4
55.05274	4.5
55.05517	68.1
57.03415	4.9
61.11336	4.3
67.05492	18.1
69.03429	5.2
69.07074	5.1
69.18055	43.6
70.06603	10.4
79.05499	26.2
81.03436	12.6
81.07065	23.2
83.04990	100.0
84.05328	5.8
86.09721	8.1
91.05489	39.7
93.07044	15.7
95.04968	13.0
95.08614	12.4
97.06538	5.8
100.31676	4.0
103.05447	11.6
104.05801	3.9
105.03405	12.7
105.07045	45.6
107.04990	5.4
107.08583	21.2
109.06515	11.0
109.10146	8.9
115.05460	7.5
117.07011	20.3
119.04928	6.5
119.08592	42.8
121.06516	6.6
121.10146	7.2
123.04428	4.4
123.08061	5.1
125.02340	6.5
128.06248	8.8
129.06992	13.3
131.04948	23.3
131.08583	29.8
133.06494	15.0
133.10121	32.7
135.08029	15.2
135.88994	4.2
138.53584	4.1
142.07784	10.7
143.08612	27.7
145.06493	14.5
145.10095	25.3
147.07980	20.9
149.09625	17.7
155.08603	9.1
156.09355	20.0
157.10135	44.7
159.08063	18.4
159.11703	15.1
161.06004	23.6
161.09645	12.3
163.07559	7.0
163.11227	10.4
167.08499	5.5
169.10176	23.7
170.10913	9.9
171.07983	6.2
171.11713	73.0
173.06015	5.6
173.09607	19.8
173.13269	9.3
175.07573	20.1
177.05437	6.2
177.09111	7.5
179.07074	6.3
180.09418	5.5
181.10097	13.9
183.08047	5.4
183.11714	60.9
184.08723	6.0
185.09642	19.3
185.13292	62.4
187.07617	7.0
187.11237	8.8
189.05431	6.6
189.09138	6.6
189.12552	4.7
192.09431	5.7
193.08514	5.2
193.10139	8.5
193.12219	5.1
195.11705	18.3
197.09596	15.4
197.13220	10.2
198.10432	7.8
199.11169	27.1
201.12764	10.6
203.10591	5.8
207.11761	19.3
208.12367	6.0
209.09668	7.6
209.13268	9.2
211.11214	25.8
213.09186	9.2
213.12755	73.4
214.13139	4.4
216.09370	5.2
217.12294	5.9
219.11827	8.5
221.13307	12.9
222.13901	6.5
223.11153	8.2
223.14886	4.6
225.09203	7.0
227.10649	5.6
227.12738	6.8
229.12259	8.2
229.14250	5.6
231.11870	5.7
231.13846	8.2
232.12459	7.8
233.13416	7.1
235.11147	6.8
241.08612	7.0
241.12247	15.4
243.11705	7.9
243.13898	11.6
244.12546	6.3
245.11543	6.8
245.15451	26.8
246.14020	6.0
247.11263	6.7
247.14767	6.0
249.12901	6.5
255.11604	8.9
255.13785	8.3
257.13229	13.6
258.14081	6.2
259.15152	7.1
261.12656	8.0
263.16476	7.2
269.13263	6.8
270.14105	9.9
271.14807	6.9
273.14865	29.0
281.13184	6.7
283.11298	7.2
283.15048	8.9
285.12982	8.7
285.16415	14.0
287.14380	7.8
287.17783	5.6
291.12671	4.4
291.15912	13.5
298.13293	6.9
299.14224	10.1
299.18036	6.6
301.12357	7.4
301.15710	6.8
303.17505	6.9
311.14087	5.0
312.15012	6.5
313.15622	6.4
315.13889	7.4
315.17508	7.8
317.15189	5.3
327.13721	6.1
327.17383	7.8
329.15326	8.4
331.16849	12.1
341.15134	10.2
343.16992	6.8
345.18533	17.4
347.16299	10.8
355.16794	16.1
359.16382	19.7
363.19699	6.4
371.16397	10.8
373.17825	33.8
377.17551	14.4
383.16132	7.0
389.17365	8.9
391.18732	22.8
401.17371	26.3
403.18872	8.8
405.20798	9.5
415.19064	15.4
419.18488	38.8
421.20160	15.6
423.21872	12.1
433.20135	66.5
437.19510	20.0
451.21185	77.2
469.22357	33.0
479.20453	12.6
493.21979	8.2
497.21555	16.2
509.27451	10.4
511.23218	17.8
529.24176	8.5
597.26843	11.9
611.27203	6.9
629.29205	14.6
706.33997	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	706.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.3
54.57380	4.4
55.01870	6.4
55.05274	4.5
55.05517	68.1
57.03415	4.9
61.11336	4.3
67.05492	18.1
69.03429	5.2
69.07074	5.1
69.18055	43.6
70.06603	10.4
79.05499	26.2
81.03436	12.6
81.07065	23.2
83.04990	100.0
84.05328	5.8
86.09721	8.1
91.05489	39.7
93.07044	15.7
95.04968	13.0
95.08614	12.4
97.06538	5.8
100.31676	4.0
103.05447	11.6
104.05801	3.9
105.03405	12.7
105.07045	45.6
107.04990	5.4
107.08583	21.2
109.06515	11.0
109.10146	8.9
115.05460	7.5
117.07011	20.3
119.04928	6.5
119.08592	42.8
121.06516	6.6
121.10146	7.2
123.04428	4.4
123.08061	5.1
125.02340	6.5
128.06248	8.8
129.06992	13.3
131.04948	23.3
131.08583	29.8
133.06494	15.0
133.10121	32.7
135.08029	15.2
135.88994	4.2
138.53584	4.1
142.07784	10.7
143.08612	27.7
145.06493	14.5
145.10095	25.3
147.07980	20.9
149.09625	17.7
155.08603	9.1
156.09355	20.0
157.10135	44.7
159.08063	18.4
159.11703	15.1
161.06004	23.6
161.09645	12.3
163.07559	7.0
163.11227	10.4
167.08499	5.5
169.10176	23.7
170.10913	9.9
171.07983	6.2
171.11713	73.0
173.06015	5.6
173.09607	19.8
173.13269	9.3
175.07573	20.1
177.05437	6.2
177.09111	7.5
179.07074	6.3
180.09418	5.5
181.10097	13.9
183.08047	5.4
183.11714	60.9
184.08723	6.0
185.09642	19.3
185.13292	62.4
187.07617	7.0
187.11237	8.8
189.05431	6.6
189.09138	6.6
189.12552	4.7
192.09431	5.7
193.08514	5.2
193.10139	8.5
193.12219	5.1
195.11705	18.3
197.09596	15.4
197.13220	10.2
198.10432	7.8
199.11169	27.1
201.12764	10.6
203.10591	5.8
207.11761	19.3
208.12367	6.0
209.09668	7.6
209.13268	9.2
211.11214	25.8
213.09186	9.2
213.12755	73.4
214.13139	4.4
216.09370	5.2
217.12294	5.9
219.11827	8.5
221.13307	12.9
222.13901	6.5
223.11153	8.2
223.14886	4.6
225.09203	7.0
227.10649	5.6
227.12738	6.8
229.12259	8.2
229.14250	5.6
231.11870	5.7
231.13846	8.2
232.12459	7.8
233.13416	7.1
235.11147	6.8
241.08612	7.0
241.12247	15.4
243.11705	7.9
243.13898	11.6
244.12546	6.3
245.11543	6.8
245.15451	26.8
246.14020	6.0
247.11263	6.7
247.14767	6.0
249.12901	6.5
255.11604	8.9
255.13785	8.3
257.13229	13.6
258.14081	6.2
259.15152	7.1
261.12656	8.0
263.16476	7.2
269.13263	6.8
270.14105	9.9
271.14807	6.9
273.14865	29.0
281.13184	6.7
283.11298	7.2
283.15048	8.9
285.12982	8.7
285.16415	14.0
287.14380	7.8
287.17783	5.6
291.12671	4.4
291.15912	13.5
298.13293	6.9
299.14224	10.1
299.18036	6.6
301.12357	7.4
301.15710	6.8
303.17505	6.9
311.14087	5.0
312.15012	6.5
313.15622	6.4
315.13889	7.4
315.17508	7.8
317.15189	5.3
327.13721	6.1
327.17383	7.8
329.15326	8.4
331.16849	12.1
341.15134	10.2
343.16992	6.8
345.18533	17.4
347.16299	10.8
355.16794	16.1
359.16382	19.7
363.19699	6.4
371.16397	10.8
373.17825	33.8
377.17551	14.4
383.16132	7.0
389.17365	8.9
391.18732	22.8
401.17371	26.3
403.18872	8.8
405.20798	9.5
415.19064	15.4
419.18488	38.8
421.20160	15.6
423.21872	12.1
433.20135	66.5
437.19510	20.0
451.21185	77.2
469.22357	33.0
479.20453	12.6
493.21979	8.2
497.21555	16.2
509.27451	10.4
511.23218	17.8
529.24176	8.5
597.26843	11.9
611.27203	6.9
629.29205	14.6
706.33997	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	705.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74733	0.3
55.05502	0.8
59.70194	0.4
67.05516	2.5
69.07050	0.6
70.66973	1.1
72.51407	0.4
79.05505	1.7
81.03422	0.9
81.07065	1.8
83.04994	0.5
83.08665	0.5
91.05481	2.0
93.07046	1.5
95.08620	1.2
103.05479	0.4
105.07032	1.1
107.08617	1.1
109.10145	0.9
118.06589	0.5
119.08599	1.1
120.08139	0.7
122.18581	0.3
125.00081	0.5
127.03888	0.4
131.08586	0.4
132.08075	0.5
133.10164	0.5
133.95744	0.4
147.04459	1.2
184.07428	0.9
194.23584	0.4
196.09998	0.4
197.10846	0.6
208.96297	0.4
209.10876	0.7
210.11456	0.9
211.08870	0.6
211.12357	0.6
212.13206	0.4
221.10783	0.4
222.11531	0.5
223.08727	0.7
223.12321	1.5
225.10301	1.5
225.13823	3.3
226.14537	0.6
229.14496	0.4
235.12349	1.1
237.10246	0.7
237.13896	2.8
238.14676	0.6
238.77441	0.4
239.15379	0.9
249.10217	0.6
249.13852	0.8
251.08224	1.8
251.11948	0.9
263.12009	0.4
270.13672	0.5
275.15622	0.6
276.16150	0.6
293.34311	0.4
305.24579	0.5
314.16693	0.5
316.14615	0.7
324.11383	0.4
324.15182	0.5
325.12088	0.5
326.12875	0.6
340.14688	0.5
354.16269	0.6
366.16147	0.5
389.17957	0.7
394.15817	0.4
399.19431	0.8
402.14999	0.4
403.15582	1.4
403.20047	0.6
404.15894	0.5
404.20566	0.5
405.21164	0.5
416.16498	0.6
417.17068	3.1
418.18042	2.8
419.18558	1.2
420.21518	0.4
427.19620	0.5
430.18997	0.6
431.18765	2.0
432.19577	2.6
433.20132	4.3
445.16711	1.6
446.21710	0.8
447.21942	10.9
448.22763	0.9
454.17630	0.4
459.22519	0.7
460.19092	1.4
461.19696	1.5
462.20203	0.9
473.19510	0.6
474.20377	1.5
475.21307	23.3
476.22116	3.4
477.22797	0.6
479.24744	0.6
489.22916	1.2
493.22437	0.7
503.20370	3.4
505.22278	1.0
507.23914	1.2
520.24084	0.5
521.21777	1.2
533.21844	2.1
535.23462	14.8
537.24792	0.7
543.36768	0.6
547.23108	1.8
548.24146	1.6
549.24951	6.6
565.24640	0.9
576.23486	0.8
583.12433	0.4
593.24188	1.5
607.15735	0.7
607.25592	14.7
608.26324	100.0
609.26801	3.1
655.17072	0.5
705.31329	1.4
705.41736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.4
67.05503	2.0
69.03432	0.5
69.07080	1.1
69.20789	3.6
69.21206	1.0
79.05486	1.8
81.03417	1.4
81.07054	2.0
91.05473	1.5
93.07047	2.1
95.08598	1.4
95.99941	0.5
105.07039	1.5
107.08575	1.2
109.10233	0.8
111.57989	0.5
113.10567	0.4
117.07008	0.8
118.06569	0.5
119.08553	0.9
121.10162	0.8
131.08560	1.1
133.10146	0.8
135.11668	0.5
145.10184	0.8
147.04443	1.0
184.07367	1.0
196.09885	0.7
210.11621	0.9
211.12289	0.7
221.10715	0.6
222.11557	0.7
223.08788	0.8
223.12329	1.3
224.13083	0.8
225.10306	0.9
225.13800	3.5
226.14661	0.8
229.14355	0.5
235.12192	0.6
237.10255	0.7
237.13925	2.1
238.14702	0.7
247.12210	0.5
249.14091	0.9
251.08115	2.5
251.11951	0.6
269.12952	0.7
274.14520	0.5
309.08765	0.5
316.14407	0.6
326.12717	0.6
350.17569	0.4
351.09683	0.5
372.79562	0.5
389.17957	0.6
390.18951	0.7
399.19669	0.5
403.15561	1.6
405.21210	0.6
412.16473	0.6
415.16055	0.5
416.16666	1.0
417.16870	3.5
418.17859	1.6
419.18259	1.2
419.23071	0.8
420.19995	0.5
431.18756	2.1
432.19312	3.0
433.20328	4.3
438.58060	0.5
444.19250	0.7
445.16718	1.5
447.21851	11.4
448.22549	1.4
454.17862	0.7
458.17392	0.9
459.17221	0.7
459.22516	0.9
460.18784	0.7
461.19278	0.7
462.20895	0.9
474.20404	1.0
475.21289	23.0
476.22049	3.5
489.23019	0.8
491.20859	0.9
501.23038	0.6
503.20523	4.0
505.22900	1.1
507.23892	1.4
520.24811	0.6
533.21637	1.6
535.23395	14.2
536.24597	0.6
537.25610	0.6
543.36035	0.8
547.23059	1.5
548.24060	1.0
549.24994	7.3
565.24341	0.9
576.23676	0.5
593.24066	1.5
607.25500	16.1
608.26300	100.0
609.26740	3.3
641.62250	0.6
699.02991	0.5
705.30640	1.1
705.41956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.4
67.05499	1.3
69.07072	0.8
71.55207	0.4
71.55592	0.5
79.05505	1.6
81.03425	0.5
81.07062	1.4
86.99054	0.3
89.06018	0.5
91.05516	0.7
93.07053	1.4
95.08596	0.5
107.08591	0.6
118.06543	0.6
119.08591	0.5
120.08145	0.6
121.10138	0.5
131.08540	0.5
145.10190	0.5
147.11809	0.3
157.10139	0.5
162.96863	0.4
184.07397	1.8
195.09143	0.5
203.14043	0.3
204.06540	0.4
209.10777	0.5
210.11626	0.8
211.08751	0.6
211.12267	0.7
212.13168	0.5
221.10701	0.5
222.11562	0.5
223.08713	0.8
223.12297	1.0
224.13219	0.8
225.10298	1.2
225.13899	2.4
226.14706	0.6
235.12373	1.1
237.13902	1.6
238.14687	0.4
249.13974	1.2
250.93828	0.4
251.08266	1.5
251.15657	0.3
252.20500	0.4
269.12851	0.4
270.13702	0.7
273.65024	0.3
275.15588	0.5
276.16138	0.5
309.08618	0.6
312.14963	0.4
314.13052	0.6
324.15015	0.4
327.13501	0.4
338.12933	0.5
340.10797	0.4
340.14755	0.5
384.17712	0.4
389.17657	0.8
390.18970	0.5
395.06326	0.3
399.19623	0.5
402.15207	0.4
403.15640	1.4
405.21136	0.7
412.16705	0.5
417.17163	3.1
418.17807	2.5
419.18378	0.8
419.23212	0.7
427.19128	0.5
430.19104	0.8
431.19247	1.7
432.19586	2.6
433.20282	3.9
443.18323	0.5
445.16583	1.2
445.21323	0.6
446.17273	0.6
447.21869	9.0
447.27795	0.7
448.22488	1.1
458.17239	0.7
459.22394	0.7
460.18933	0.7
461.19870	1.3
462.20602	0.5
474.20700	1.0
475.21277	20.9
476.21909	3.9
487.21304	0.5
489.22733	0.8
490.30609	0.4
503.20615	3.8
505.22610	0.6
507.24243	1.2
520.25397	0.7
521.21729	1.1
533.21997	1.4
535.23486	13.9
536.23651	0.8
547.23535	1.3
548.24030	2.1
549.25067	5.5
565.24463	0.7
575.22864	0.7
593.23792	1.3
607.25482	9.4
608.26337	100.0
609.26520	3.4
687.29962	0.5
705.30573	1.0
705.43121	0.9
719.35480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.9
55.91230	0.5
57.03434	0.6
57.07069	0.6
64.84938	0.5
67.05510	3.5
69.07057	1.4
71.55299	0.7
74.21521	0.6
79.05488	3.3
81.03428	1.6
81.07068	3.9
83.04990	1.3
83.08621	1.5
91.05480	2.3
93.07059	2.2
95.04982	0.9
95.08641	3.4
97.02889	0.6
105.07044	0.9
107.08612	1.9
109.10178	1.6
117.07056	0.9
119.04926	0.8
119.08605	2.0
121.10165	2.0
122.56695	0.5
129.06966	0.6
131.08589	1.3
133.10139	0.9
135.11751	0.7
143.08511	0.8
145.10150	1.5
147.04411	2.9
147.11627	0.8
153.12770	0.8
184.07452	1.0
196.09935	0.7
210.11401	0.7
211.12390	0.9
217.19487	0.7
221.10661	0.8
222.11522	0.7
223.08904	0.7
223.12347	1.9
224.13091	0.7
225.10396	1.3
225.13947	3.6
226.14699	1.0
235.12433	0.8
235.20578	0.8
237.10315	0.9
237.13930	1.4
249.13760	1.1
251.08244	2.0
253.21788	0.8
265.09833	0.9
269.12729	0.5
335.25879	0.8
399.87885	0.6
403.15546	1.7
417.17004	3.6
418.17944	1.8
419.18530	1.0
431.18796	2.0
432.19711	2.2
433.20172	4.4
445.16193	3.3
447.16644	0.7
447.22049	11.7
448.22122	0.7
459.17422	0.7
460.19165	1.0
461.19885	1.9
474.20602	1.7
475.21341	23.9
476.21930	4.5
489.23328	0.9
503.20508	3.5
507.23828	1.6
521.22015	0.7
533.21582	1.4
535.23438	15.8
543.37268	1.0
547.23462	1.4
548.24298	2.1
549.25043	5.5
576.23712	0.6
593.24036	1.1
607.25543	10.4
608.26355	100.0
609.26447	4.0
645.29279	0.6
687.29944	1.3
705.31152	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	705.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.5
66.96479	0.7
67.05511	4.4
69.03442	0.7
69.07055	1.9
69.39754	3.2
69.40186	2.6
71.04984	0.9
72.65594	0.7
79.05477	2.7
81.03419	1.8
81.07074	4.4
83.08635	1.3
85.06534	1.1
91.05459	2.2
91.22845	0.7
93.07037	2.2
95.04944	0.8
95.08638	1.5
97.06538	0.9
105.07035	1.5
109.10143	0.9
119.08582	1.6
121.10158	1.4
131.08583	1.6
135.11732	1.4
142.34726	0.8
159.11737	1.0
169.05855	0.9
221.10886	0.9
223.12343	1.9
224.13011	1.0
225.10211	0.9
225.13890	2.7
237.13823	2.3
249.13853	1.5
251.08168	1.5
252.77557	0.9
403.15314	1.5
417.16965	3.4
418.17776	2.6
419.18134	1.0
431.18488	2.1
432.19318	2.8
433.20456	4.5
445.16385	1.3
447.21884	11.7
460.19266	1.0
461.19589	1.5
475.14478	1.2
475.21268	22.8
476.22031	4.2
489.23087	1.2
503.20526	3.6
507.23865	1.5
521.21832	0.9
533.21820	1.8
535.15985	1.3
535.23438	16.5
547.23236	1.7
548.24170	1.9
549.25079	6.7
575.22174	0.9
576.23309	1.0
607.25665	10.1
608.26318	100.0
609.26862	2.0
628.47955	0.8
690.81165	0.9
704.47272	1.4
705.48083	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	705.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61314	3.6
53.03947	9.0
55.01869	7.8
55.05517	21.7
57.03424	14.4
57.07064	5.0
61.02932	7.6
65.03942	6.3
67.05515	29.9
67.06403	3.2
69.03081	6.5
69.03436	100.0
69.07086	17.9
70.06584	3.6
71.04984	7.1
71.55414	4.7
77.82727	3.1
79.05509	31.1
81.03414	26.6
81.07053	36.5
83.04999	24.9
83.08620	11.3
85.02914	35.7
85.06533	7.9
87.04480	16.4
91.05487	43.8
93.07055	39.8
95.04983	22.0
95.08607	38.8
97.02880	11.7
97.06534	13.9
99.04461	28.6
101.06003	6.6
103.05454	8.1
105.07033	61.5
107.04996	8.1
107.08604	54.8
109.02870	7.7
109.06529	12.7
109.10158	14.9
111.04474	4.7
111.08072	9.5
113.06035	16.1
114.05531	6.3
115.03905	8.1
115.05459	7.2
117.07042	18.6
119.08585	92.9
121.06493	11.9
121.10141	30.3
123.08098	6.8
123.11737	4.4
127.03946	35.9
127.07575	6.6
128.06227	14.5
129.05467	6.8
129.07013	29.6
130.07826	5.2
131.04904	8.6
131.08585	46.3
133.06467	9.6
133.10149	51.0
135.04449	4.7
135.08047	15.3
135.11707	11.9
137.06024	4.5
137.09633	6.5
139.07603	7.1
141.06995	15.1
142.07790	24.9
143.08583	56.1
144.06583	28.8
144.09340	9.7
145.04993	6.2
145.06502	5.0
145.10129	60.0
147.08067	18.1
147.11670	27.0
149.09639	11.1
149.13214	5.6
151.07539	6.8
153.05441	4.2
153.06981	5.6
153.09105	5.1
154.07712	5.8
155.07295	4.6
155.08575	37.3
156.09331	22.7
157.10139	99.5
158.11018	4.6
159.08070	12.7
159.11700	54.7
161.09624	19.7
161.13266	15.1
163.07591	5.6
163.11226	5.0
165.07033	10.8
165.09177	8.6
166.07698	4.5
167.07243	4.0
167.08585	21.0
168.09375	16.5
169.10115	58.4
170.10970	15.6
171.06584	6.3
171.08107	8.7
171.11693	63.7
173.09676	15.8
173.13272	31.9
175.11165	9.5
177.09122	6.1
178.07742	4.7
179.08556	15.3
180.09319	11.5
181.08717	4.1
181.10149	50.0
182.10951	20.0
183.08116	3.9
183.11707	79.2
184.12421	11.1
185.09605	10.7
185.13263	44.9
187.11211	9.7
187.14861	9.8
189.09132	5.6
191.08592	5.1
192.09343	6.2
193.10182	27.9
193.11990	4.9
194.10939	16.7
195.10170	3.9
195.11703	62.2
196.12447	13.3
197.09608	7.6
197.13286	65.7
198.13997	5.4
199.11211	17.8
199.14876	26.0
201.12775	8.7
203.08693	3.9
203.10657	5.0
205.10165	10.0
205.12163	6.3
206.10918	9.5
207.10138	7.0
207.11708	37.0
208.12416	16.2
209.09869	5.7
209.11475	6.8
209.13263	77.9
210.14061	11.6
211.11212	10.9
211.14871	42.9
212.15770	4.5
213.12761	15.0
213.16475	7.4
215.10666	8.2
215.14336	6.3
217.10231	6.2
217.12193	7.7
218.10880	6.1
219.11708	17.7
220.12498	14.7
221.13303	40.8
222.14027	12.0
223.11292	5.4
223.14821	57.2
224.15535	7.3
225.12758	13.9
225.16409	23.7
227.14302	10.5
229.12210	6.0
230.11023	8.2
231.11662	12.9
231.13872	7.4
232.12462	9.9
233.09642	5.6
233.13475	22.5
234.14020	13.2
235.11241	6.9
235.14859	33.2
236.15526	9.6
237.12703	13.7
237.16386	40.2
238.17133	12.2
239.14378	8.0
239.17979	39.9
240.18649	11.0
241.12221	9.2
241.15750	3.9
243.13884	6.6
244.12392	3.9
245.13255	11.0
245.15486	5.0
246.13995	10.9
247.14941	35.0
248.15593	10.3
249.12750	12.1
249.16417	30.5
250.13608	4.3
250.16939	5.4
251.14543	8.1
251.17932	11.0
253.12297	6.4
253.15761	4.2
253.19598	4.6
255.13857	9.3
257.13089	6.4
258.13965	7.7
259.15137	8.0
260.15714	4.1
261.16605	18.0
262.17288	6.2
263.14423	8.9
263.17957	40.8
264.18710	5.7
265.15826	12.3
265.19513	44.7
267.13678	5.1
267.17554	3.6
269.15430	6.0
271.13135	7.9
272.15558	4.0
273.14978	4.8
273.16443	5.4
274.17014	3.8
275.17969	10.0
276.18683	6.8
277.15790	5.7
277.19498	13.9
278.20410	6.6
279.17749	6.5
279.21106	26.0
281.15433	7.8
281.18777	5.9
283.16953	5.5
287.17767	7.8
288.18628	5.5
289.14789	4.8
289.16550	4.4
289.19525	22.3
293.15271	5.0
305.15631	5.2
305.18979	39.0
305.22250	5.4
307.17093	3.6
307.20569	68.7
309.14682	4.9
311.16422	3.9
319.16888	4.3
321.18567	4.8
323.16476	5.3
323.20016	14.6
325.18167	7.3
325.21619	64.1
331.20728	5.5
333.21967	8.4
337.17868	7.7
341.21262	5.9
343.19421	5.4
347.23541	6.6
349.21597	6.6
351.19409	10.7
353.17404	3.5
353.21130	35.4
355.19260	3.8
357.21994	15.0
363.22501	4.2
367.22879	5.4
371.22186	57.9
375.18643	7.5
375.23026	28.6
377.20761	4.6
379.18655	5.2
379.22961	29.0
381.24246	6.6
385.21524	6.5
391.22601	10.4
393.24274	45.5
397.23779	29.3
403.22870	17.0
403.27438	3.9
409.23636	13.8
411.20679	4.5
411.25735	22.1
421.18549	6.6
421.23770	93.8
429.22672	12.1
439.24930	58.2
451.24716	6.2
457.25677	23.3
467.24332	4.3
469.19827	5.9
469.25940	95.7
532.22510	4.3
565.27930	4.5
567.39886	3.8
571.29602	6.7
573.26733	9.6
583.29077	35.6
601.30261	44.0
705.31305	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	705.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03411	2.2
53.03942	7.7
55.01865	7.6
55.05527	14.2
57.03439	10.7
59.66504	2.8
61.02914	2.4
65.03954	2.9
67.05510	19.1
68.10574	2.4
69.03088	3.4
69.03438	68.3
69.07079	16.6
71.04986	9.3
77.03949	2.4
79.05492	25.6
81.03425	13.7
81.07063	31.7
81.54024	2.5
83.04989	11.4
83.08609	5.0
84.44725	2.4
85.02914	27.8
85.06536	7.8
86.06027	3.9
87.04470	15.6
91.05480	29.8
93.07058	30.8
95.04978	15.3
95.08614	29.3
97.02894	17.5
97.06519	11.0
97.10136	4.5
99.04475	19.9
101.06010	3.1
103.05489	3.2
105.07040	43.3
107.04961	10.2
107.08611	38.3
108.08114	3.0
109.02888	7.0
109.06511	10.3
109.10162	15.7
111.04459	2.3
111.08094	4.6
113.05984	6.7
115.03936	3.1
115.05494	5.3
116.07032	2.5
117.07001	14.5
119.04966	3.2
119.07800	4.4
119.08590	62.5
121.06512	10.4
121.10155	23.7
123.08080	6.6
123.11674	5.0
125.06068	2.4
125.09682	2.7
127.03923	32.3
127.07544	3.5
128.06227	11.0
129.05493	4.1
129.07021	16.0
130.07776	4.2
131.04910	4.0
131.08585	34.7
133.06570	5.4
133.10133	42.4
135.04385	4.1
135.08086	8.2
135.11688	11.1
136.07613	3.6
137.09596	6.9
139.07593	2.9
141.06996	11.0
142.05084	2.9
142.07788	17.8
143.08569	42.8
144.06583	16.7
144.09314	5.6
145.04961	5.6
145.06487	4.2
145.10146	49.4
147.08049	12.6
147.11674	18.5
149.09608	7.8
151.07541	5.3
152.06006	2.7
153.05545	4.7
153.06912	4.2
153.09137	3.8
154.07759	3.0
155.08556	26.7
156.09381	13.9
157.10143	76.7
158.10847	3.9
159.08080	11.9
159.11708	39.8
161.09622	13.1
161.13287	5.7
163.07578	3.8
163.11113	2.9
165.06969	10.6
165.09128	12.5
166.07796	4.4
167.07309	2.5
167.08549	15.7
167.10617	4.2
168.09384	6.7
169.10117	41.7
170.10921	5.9
171.06619	2.7
171.08003	4.8
171.11673	45.9
173.09656	8.7
173.13266	24.3
175.11194	9.1
177.09123	3.6
179.07185	2.8
179.08531	13.7
179.10698	4.5
180.09373	7.9
181.10109	36.8
182.10918	12.2
183.08063	3.8
183.11708	55.2
184.12329	3.9
185.09648	7.6
185.13272	28.8
187.11191	10.0
187.14830	7.5
189.09100	5.0
191.08600	3.1
191.10591	3.0
192.09369	8.9
193.10149	18.4
193.12074	4.1
194.10938	13.0
195.10080	2.7
195.11708	53.3
196.12469	8.5
197.09642	7.6
197.13272	49.4
198.14087	7.3
199.11203	9.7
199.14757	16.7
201.12703	4.5
203.10693	3.0
204.09702	2.5
205.10165	7.8
205.12181	3.0
206.10887	8.4
207.10129	4.3
207.11745	30.4
208.12383	12.7
209.09721	5.4
209.11476	4.6
209.13274	54.0
210.13992	8.1
211.11209	9.7
211.14848	38.3
212.15497	3.2
213.12755	15.7
213.16373	6.1
215.08604	2.5
215.10698	4.6
215.14317	4.9
217.10233	4.5
217.12286	6.4
218.10938	3.0
219.11777	13.4
219.13542	2.7
220.12515	10.1
221.09764	3.7
221.11595	2.6
221.13330	32.9
222.13963	9.2
223.11232	6.3
223.14832	43.0
224.15584	7.2
225.12762	9.4
225.16441	22.0
227.10623	4.7
227.14346	9.6
229.12314	5.2
230.94601	2.5
231.11647	7.3
231.13834	8.4
232.12436	7.0
233.13440	16.5
234.10353	2.6
234.14021	7.3
235.11227	3.9
235.14827	29.7
236.15669	6.7
237.12726	9.3
237.16388	28.3
238.17136	11.1
239.10683	3.1
239.14307	8.2
239.17946	24.5
240.18680	5.2
241.12196	5.5
241.15962	5.3
243.11606	3.2
243.13806	5.8
244.12389	3.7
245.13271	7.6
246.14034	7.1
247.14902	22.3
248.15593	6.2
249.12631	5.2
249.16467	19.3
250.17102	9.3
251.14529	6.3
251.17963	11.0
253.15862	3.4
255.13858	5.5
257.15356	3.3
258.13977	3.9
259.14926	5.7
260.15698	3.8
261.12723	5.1
261.16537	16.1
262.17160	4.7
263.14468	11.5
263.17926	25.4
264.08905	3.1
264.18765	5.5
265.15921	15.1
265.19516	34.3
267.13599	2.9
267.17731	3.2
267.20737	3.0
269.15417	7.8
271.13293	3.6
272.15540	3.5
273.16330	8.2
275.18048	5.2
276.09000	3.3
277.16037	4.8
277.19534	9.9
279.17813	4.6
279.21075	24.9
281.15430	4.8
281.18866	2.9
283.16895	8.4
287.17807	2.7
289.14120	2.8
289.19525	14.6
291.17374	6.9
291.20801	2.9
293.15479	4.3
295.20435	3.5
303.17307	3.1
303.20932	5.5
305.15616	4.9
305.18988	36.0
307.17044	5.5
307.20544	59.1
309.18219	3.7
311.16339	5.8
313.19147	3.7
314.04407	2.9
319.10849	5.0
319.20660	3.0
323.16409	4.8
323.19907	15.8
325.18021	6.3
325.21591	57.9
329.22610	3.7
331.20532	7.9
333.22168	3.7
335.16345	3.2
335.19968	3.1
337.18054	6.3
339.19492	3.5
341.21121	3.4
347.23700	6.8
349.21780	4.6
351.19595	10.1
353.17404	3.5
353.21158	16.8
355.19162	6.9
357.22058	11.5
363.23334	4.8
365.11292	6.1
367.22571	6.4
368.13699	3.6
369.20602	5.9
371.22156	36.2
375.18604	4.7
375.23193	31.1
379.19223	2.6
379.22858	24.7
381.24240	7.6
391.22577	9.0
393.24268	42.9
397.24020	24.7
403.22702	12.7
409.23718	8.3
411.20679	5.0
411.25909	19.5
421.23767	72.7
426.13678	2.9
427.20554	3.3
427.25500	4.0
429.22614	16.9
439.24887	54.5
457.25848	27.4
469.25873	93.5
470.26303	3.9
516.17548	17.6
517.17804	3.0
534.18896	4.1
543.25720	3.5
548.20306	100.0
549.20587	3.2
571.28925	8.0
573.26904	14.7
583.29083	29.6
601.30060	36.4
688.33502	3.1
705.30530	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	705.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31354	1.6
51.02383	2.2
53.03939	13.6
55.01872	15.0
55.05500	1.9
62.80437	1.8
67.05500	5.8
69.03434	4.1
69.63022	7.4
69.63433	4.0
70.12491	1.7
77.03909	3.8
79.05498	18.1
79.34279	1.8
81.03416	20.0
81.07056	5.9
84.29967	1.7
91.05482	28.8
93.07049	8.8
95.04973	19.0
95.08614	3.2
103.05476	62.1
105.03398	77.9
105.04517	4.6
105.07032	16.0
107.04958	16.5
107.08564	8.5
109.06516	5.2
109.24921	1.6
115.05438	5.3
116.06281	2.2
116.31151	1.6
117.07018	12.7
119.04921	2.6
119.08578	34.3
121.06517	3.4
121.10172	3.1
128.06236	5.2
129.06998	22.3
131.04936	100.0
131.08582	24.1
133.06509	6.4
133.10136	12.0
135.08055	3.7
141.07007	4.4
142.07813	5.0
143.08556	10.1
144.05733	2.4
144.09383	2.9
145.06487	15.0
145.10162	11.0
147.08055	72.4
148.08336	2.2
149.09622	30.0
153.07050	2.8
154.07872	2.4
155.08598	5.9
156.09375	4.3
157.10146	25.3
159.08061	42.1
159.11708	29.4
161.09631	29.8
168.09369	2.3
169.10132	18.0
170.10880	1.9
171.08058	4.3
171.11694	23.0
173.06021	3.7
173.09605	10.9
173.13269	14.1
175.07541	20.9
175.11171	2.1
177.09053	2.1
179.08569	3.4
180.09372	2.1
181.10149	4.5
182.07338	1.9
183.08157	2.5
183.11688	25.6
185.09653	5.1
185.13281	4.2
187.07458	2.5
187.11177	11.8
189.09102	2.7
191.10674	3.0
193.10115	3.2
195.08008	2.7
195.11703	6.8
197.09647	9.6
197.13287	6.6
199.07658	2.7
199.11206	11.0
201.09158	2.1
201.12784	7.6
206.10928	2.4
207.11780	3.8
209.09647	4.0
209.13359	4.2
210.10500	2.1
211.11220	6.1
211.14790	1.9
215.10739	8.1
216.09267	2.5
217.12250	4.1
219.11852	2.5
220.12521	2.7
221.09474	2.2
221.13307	5.6
222.13719	1.7
223.11172	6.4
223.14717	4.0
225.12798	12.7
227.10500	3.9
229.10246	2.9
229.12187	12.0
231.11728	3.0
231.13826	4.0
233.13278	4.0
233.15425	10.7
235.11154	3.8
235.14984	3.3
237.12785	4.0
239.10686	2.3
239.14291	2.2
241.12250	2.2
243.13843	4.9
244.12617	2.3
247.11105	3.1
247.15041	3.4
249.12733	3.1
251.14388	3.4
261.12585	3.6
261.14920	7.3
263.14371	3.5
271.03793	1.8
273.12775	2.3
275.14548	2.6
279.14200	2.1
285.12503	3.5
287.14371	3.7
291.17514	2.3
297.15622	2.2
299.14206	4.7
300.15158	2.9
301.16000	3.3
303.14023	2.0
303.17395	2.8
305.19016	3.2
315.17422	14.1
317.15393	2.8
319.17020	2.3
329.19019	4.4
331.16904	2.6
333.18387	15.2
343.16919	10.5
347.20193	8.8
357.18466	11.2
361.17908	3.9
375.19507	21.7
385.17917	5.6
389.21167	16.2
391.18668	3.6
399.19824	2.4
403.18939	9.4
407.22159	39.4
408.21988	2.4
417.20786	24.2
418.36368	1.9
429.82898	2.1
435.21753	28.7
543.36609	4.6
557.25385	4.1
653.64081	1.9
687.41583	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	705.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01876	2.2
55.05508	2.3
57.03432	1.1
61.65458	0.7
65.03933	0.8
67.05499	3.2
68.70922	0.7
69.03424	2.8
69.07059	1.9
77.03930	1.3
79.05488	5.1
81.03423	2.9
81.07058	3.0
83.04994	3.1
84.05328	0.8
85.02901	1.1
91.05494	8.2
93.07052	5.1
95.01367	1.5
95.04985	7.0
95.08629	1.4
97.02888	1.3
97.06544	1.7
98.20687	1.8
103.05482	42.8
105.03420	1.0
105.04553	1.3
105.07034	7.1
107.04965	3.1
107.08606	1.4
109.06518	2.9
109.10210	0.9
115.05491	2.4
117.07025	3.4
119.04943	1.7
119.08585	8.4
121.06532	3.6
121.10147	2.3
123.08087	1.9
128.06230	2.1
129.06999	3.4
130.07837	0.9
131.04941	100.0
131.08574	9.1
132.05270	1.7
133.06520	4.2
133.10168	4.1
135.04462	1.6
135.08069	3.7
135.11781	0.9
137.05986	1.7
141.06996	1.9
142.07771	3.6
143.08580	7.0
145.06522	3.9
145.10132	5.3
147.08092	4.4
147.11783	1.1
149.05991	5.1
149.09615	2.0
153.07079	1.2
154.07858	0.9
155.08525	4.5
156.09373	4.7
157.06473	1.0
157.10162	7.6
158.10580	0.8
159.04422	1.1
159.08093	8.3
159.11726	2.6
161.06024	4.4
161.09605	4.4
163.07561	1.7
163.11250	1.0
165.05719	1.0
165.07030	3.4
165.09177	0.9
166.07822	1.4
167.08578	2.7
168.09338	1.7
169.10121	4.7
170.10880	2.3
171.08092	4.3
171.11694	9.3
172.08856	2.9
173.06076	1.2
173.09642	5.5
173.13268	3.4
175.07550	2.7
175.11218	1.6
177.05476	1.6
177.09094	1.9
179.07117	1.6
179.08644	2.1
180.09361	2.3
181.10132	3.5
182.07127	1.1
182.10956	1.1
183.08066	3.6
183.11691	7.2
184.08871	2.9
185.06052	0.9
185.09590	4.9
185.13287	2.8
186.10425	1.3
187.07579	1.8
187.11206	3.0
189.05399	1.6
189.09131	4.0
189.12820	0.9
191.07024	1.3
191.10692	1.0
192.09387	1.3
193.10112	2.0
194.10928	1.7
195.08061	1.4
195.11679	7.9
196.08871	1.7
197.09627	9.6
197.13258	2.5
198.10432	1.7
199.07547	1.7
199.11203	12.7
200.11876	2.2
201.09142	2.0
201.12775	7.8
203.10684	3.4
205.96454	0.8
206.10992	1.2
207.08275	0.9
207.11749	3.5
208.12383	1.4
209.09744	2.4
209.13322	1.5
210.10367	1.2
211.11148	5.6
213.09090	1.6
213.12744	5.2
215.08774	0.9
215.10771	4.1
217.08591	2.1
217.12206	1.9
219.11798	1.7
220.12448	1.2
221.11450	0.9
221.13306	2.3
223.11220	2.9
224.11957	1.3
225.09148	1.2
225.12698	4.0
227.10657	4.1
227.14278	1.2
229.10251	1.4
229.12308	2.9
230.11040	0.9
231.11682	2.5
231.13716	1.6
232.12502	1.8
233.13466	1.6
235.11188	1.2
235.14899	1.3
237.12769	1.9
239.10677	1.8
241.12270	9.0
243.10054	2.3
243.13983	1.6
244.12473	0.8
246.10413	1.0
247.11182	0.9
247.14943	1.9
249.12794	2.2
249.16437	2.9
251.10628	1.1
251.14444	1.0
253.12250	1.9
255.13904	1.3
257.11801	1.7
258.13940	1.0
259.13257	8.8
261.12723	2.5
261.16470	1.9
263.14322	2.0
265.12265	1.1
265.15952	1.1
269.11938	1.2
270.14072	1.0
271.10938	1.0
271.13470	1.7
272.15497	0.9
274.13541	0.9
275.14178	1.1
276.14859	0.8
277.14539	2.4
278.12747	0.9
279.13879	1.8
289.12289	0.9
289.15860	1.4
291.13742	1.3
291.17529	2.5
295.17078	1.1
301.16013	1.3
303.13620	1.4
307.17023	2.7
309.18488	1.4
317.15646	1.1
319.13483	1.5
319.16733	4.6
325.18085	1.2
329.15244	1.1
331.16748	1.1
335.16400	1.6
337.18204	3.7
343.15350	8.2
347.16525	1.1
349.18005	1.1
359.16263	1.4
361.16806	0.9
371.15845	0.9
373.16562	4.9
377.17468	1.9
379.17551	6.0
383.16614	1.1
389.17343	2.0
391.18933	1.7
396.92480	0.8
401.17557	2.1
407.18265	1.1
419.18677	8.3
421.20090	1.4
437.19507	7.3
439.21213	3.9
445.18695	1.8
455.20581	1.4
503.21637	0.8
521.21802	8.5
539.22955	7.6
557.23621	2.8
669.26947	6.2
687.28754	1.2
705.23700	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	705.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.4
58.98130	1.3
67.05510	3.0
67.28494	1.3
67.65807	1.2
69.03429	2.0
69.07082	1.5
71.56351	1.9
72.61715	1.2
74.09706	4.2
79.05498	2.7
81.03423	3.3
81.07056	2.1
83.04981	5.7
91.05466	2.9
93.07069	2.8
95.04961	2.8
95.08598	1.7
103.05476	6.1
104.05888	1.4
105.03400	2.8
105.07038	4.3
107.08607	2.1
109.06521	1.6
117.07049	2.5
119.08604	2.7
121.06503	1.7
131.04921	13.2
131.08603	3.0
132.05289	3.0
133.10176	2.4
143.08542	2.4
145.06490	1.7
145.10107	2.7
156.09299	1.6
157.10117	3.4
159.08051	1.6
159.11636	1.7
169.10138	2.2
171.08038	1.4
171.11702	3.2
181.10146	1.5
183.11699	3.7
185.09627	1.6
185.13289	3.2
199.11234	2.1
201.09210	1.4
203.06821	1.3
207.11858	1.4
213.12746	2.4
238.48843	1.5
241.12122	2.2
257.11478	6.2
267.16055	2.0
270.10074	1.3
274.48465	1.2
291.17340	1.2
305.15302	1.5
358.73120	1.3
433.16351	2.1
435.17905	2.7
479.16898	8.0
511.19669	2.0
539.18909	12.4
593.19659	2.8
627.22223	5.9
687.24103	96.8
688.24597	4.6
705.25116	100.0
706.25366	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	704.363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00235	2.0
53.03941	4.4
55.01868	3.1
55.05517	68.4
69.03432	3.6
69.17156	5.5
69.17576	16.0
72.08139	3.3
79.05501	7.0
81.03419	4.9
81.07060	4.5
83.04485	4.9
83.04987	100.0
84.05324	4.5
91.05467	16.7
93.07048	7.4
95.04981	7.1
95.08600	4.4
103.05464	9.2
105.03403	25.3
105.07034	20.5
106.03734	5.7
107.04951	2.4
107.08598	7.0
109.06503	3.7
109.10176	2.6
110.06800	1.8
115.05455	7.7
117.07008	16.4
119.08599	19.2
121.02877	2.2
121.10133	3.2
125.02578	2.4
128.06239	4.7
129.06985	6.7
130.07811	2.6
131.04944	15.5
131.08580	15.4
132.05286	2.2
133.06483	8.2
133.10150	15.2
134.06874	2.5
135.08064	6.5
141.06981	3.5
142.07811	6.3
143.08565	14.6
145.06468	25.2
145.10097	15.4
147.08099	11.8
149.06020	2.6
149.09641	7.2
151.07555	2.7
155.08545	9.2
156.09331	10.1
157.06509	3.7
157.10158	19.8
159.08054	13.0
159.11732	4.5
161.06029	13.9
161.09608	9.8
163.07538	9.0
163.11211	7.2
165.06961	3.1
166.07813	2.2
167.08427	4.5
168.09299	2.3
169.10193	13.5
170.10886	8.5
171.08052	8.0
171.11707	38.4
172.08795	2.9
172.12065	4.0
173.06024	8.3
173.09592	11.8
173.13246	3.1
175.07538	4.9
177.09117	8.7
178.07910	2.3
181.10136	4.0
182.10829	2.8
183.08122	5.1
183.11705	34.6
184.08839	4.3
184.12292	2.9
185.09688	10.6
185.13298	27.8
186.10156	2.1
186.13647	4.4
187.11224	6.2
189.05455	3.1
189.09099	6.2
191.10754	3.2
193.10109	5.1
194.10846	2.4
195.11691	8.8
195.89447	2.2
196.12209	2.6
197.09607	6.8
197.13326	9.4
198.10410	4.5
199.07416	2.4
199.11162	15.3
200.11781	2.6
201.09125	3.3
201.12709	4.5
205.08536	3.2
205.10326	2.4
205.12277	4.0
207.09940	2.8
207.11707	7.2
208.12236	2.1
209.09715	3.2
209.13292	3.4
211.11192	8.8
213.09113	3.4
213.12764	34.8
214.13115	4.2
215.10715	3.8
217.12204	2.8
219.11742	3.2
220.12500	3.5
221.13280	5.5
223.11198	5.4
223.14682	2.6
225.12633	2.3
227.10709	3.6
229.12253	5.1
231.10086	2.5
231.13858	5.3
232.12292	2.7
233.09706	2.5
233.13396	2.5
235.11256	2.9
235.14783	3.2
237.12633	2.3
239.10645	2.6
241.12245	6.0
243.13824	6.4
244.12286	4.1
245.11516	2.5
245.13354	2.4
245.15388	17.3
247.14723	3.6
248.48643	2.1
251.10770	1.9
251.14081	2.3
255.13873	3.9
256.12350	3.1
257.13330	4.1
258.13971	3.7
259.11063	2.8
259.15082	4.0
261.12753	5.3
261.16403	2.5
263.14139	3.0
271.11096	2.8
271.14957	4.4
272.11713	2.2
272.15802	2.9
273.12308	2.7
273.14865	10.6
274.12894	2.6
276.14767	2.3
281.13153	2.6
283.11157	2.4
283.14688	4.0
284.15472	2.2
285.12723	6.1
285.16144	3.9
287.14291	4.3
287.17676	3.2
296.15503	3.5
297.16196	2.7
298.13708	2.3
299.14120	4.7
300.14999	4.0
301.15887	6.1
301.19412	2.6
302.16458	2.6
303.17081	2.6
313.12146	4.2
313.15817	3.5
314.12891	2.4
314.16553	5.1
315.17212	9.6
325.15979	4.2
327.13617	3.0
327.17334	4.2
329.15424	3.6
329.18967	4.7
331.16943	6.8
333.18710	2.7
339.17184	3.5
343.17023	10.1
344.17337	2.9
357.18588	13.4
358.18808	2.9
359.16437	4.1
361.17822	6.6
373.18057	6.5
374.18259	3.5
375.19617	9.9
385.18005	13.7
386.18140	3.7
387.19516	3.0
389.21118	9.1
399.19516	5.7
403.18979	12.9
403.28201	2.5
404.19321	7.2
405.20947	4.8
417.20673	23.6
421.19742	4.1
421.29431	3.2
422.20538	2.8
435.21643	21.6
453.22614	3.1
463.21002	2.1
464.22098	3.3
477.22791	9.0
495.23901	10.0
517.25323	3.2
537.24554	6.1
555.25476	6.9
637.30139	11.9
651.31378	8.0
669.32758	11.0
704.33789	3.1
705.26453	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	704.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.5
53.03946	3.2
54.38543	1.8
55.05508	7.8
67.05504	3.8
69.03430	6.8
69.07064	4.5
69.28380	11.9
70.06599	11.3
74.09719	8.9
78.14653	1.5
79.05501	3.9
81.07063	5.7
82.02926	3.0
83.04999	11.1
84.04523	1.7
86.06071	16.2
87.04478	3.7
91.05486	10.8
93.07057	5.9
95.04987	5.3
95.08609	4.1
98.06059	32.0
98.21496	2.7
103.05472	58.9
103.06145	3.5
105.03394	3.2
105.07037	12.3
107.04944	2.5
107.08604	5.8
115.05465	2.7
116.07090	2.0
117.07038	11.1
119.05054	1.5
119.08578	18.8
121.06540	3.1
121.10137	3.6
124.07619	5.4
128.06271	3.3
129.07014	6.1
131.04930	100.0
131.08589	12.4
133.06511	3.6
133.10112	9.4
135.08093	5.9
135.11697	1.4
141.07091	2.6
142.07826	5.1
143.08591	8.5
145.06480	13.4
145.10146	10.4
146.09547	1.9
147.08025	7.8
147.11780	2.2
149.09654	4.0
149.30107	1.5
150.05399	1.7
152.07045	1.6
153.06966	1.7
155.08594	4.9
156.09367	5.9
157.10144	15.8
159.08051	10.0
159.11664	9.3
161.05960	2.0
161.09665	7.2
162.09178	2.3
163.07594	4.2
163.11217	2.5
165.06960	2.5
167.08537	1.9
168.06589	3.1
168.09340	1.8
169.10141	10.6
170.10959	4.7
171.08098	10.0
171.11705	16.4
173.09633	8.5
173.13277	3.2
175.11224	3.9
178.08786	1.9
179.10686	1.9
179.81738	1.4
180.09335	1.7
181.10167	4.4
183.08150	3.2
183.11703	58.1
185.09628	6.2
185.13284	17.0
186.09116	2.0
187.11224	6.7
188.10690	2.3
189.09036	2.0
193.10179	3.7
194.10982	1.6
195.11765	6.3
197.09578	3.5
197.13284	4.0
198.10426	1.7
199.11139	7.3
201.09145	3.7
201.12888	3.1
202.12189	8.6
203.10648	2.7
205.12318	1.7
206.10681	1.9
207.11734	3.4
209.13268	3.6
211.11266	6.0
213.09396	1.8
213.12711	29.1
213.14534	2.3
217.12306	3.5
219.11813	2.3
220.12389	1.6
221.13333	3.5
223.11223	2.9
223.14845	2.0
225.09169	2.1
225.12747	2.6
229.12315	4.0
230.11833	8.9
231.11960	2.1
231.13892	5.0
232.12454	3.2
233.13344	2.8
234.14168	1.8
235.11206	2.5
235.14861	2.6
237.12892	1.8
237.16396	2.0
239.10674	1.6
241.12161	2.2
243.13892	2.9
244.13287	1.8
245.13364	2.3
245.15498	4.7
246.11484	1.9
246.13972	2.1
247.14868	4.4
248.12874	14.7
249.16408	2.8
251.14357	2.3
258.14151	2.8
259.13416	8.1
260.12811	2.0
261.16431	1.8
262.14288	3.1
263.18042	1.8
264.12296	2.3
265.15915	3.2
269.13535	1.9
271.15005	2.1
273.14697	14.9
274.14545	2.3
275.14551	2.2
277.14435	2.5
281.13150	2.0
283.14835	2.4
285.16501	1.7
286.14133	4.0
287.14380	2.5
287.17947	2.5
289.15979	2.9
291.16086	6.8
295.17105	1.7
298.14029	2.1
299.14355	2.1
301.15903	2.8
307.16971	2.0
313.15942	3.9
315.17502	3.0
319.16968	2.0
321.18747	1.8
327.17551	2.3
329.19095	1.9
337.18118	2.7
339.17300	2.5
343.16876	3.5
351.19788	3.1
357.18652	2.2
369.20648	4.8
387.22009	11.2
393.21375	1.6
394.15775	1.5
403.18698	1.9
421.19812	2.1
428.22681	2.3
442.23404	2.6
446.23206	2.4
452.21646	1.5
460.25168	2.6
470.23166	4.1
473.88541	1.6
475.27762	1.5
476.23633	1.9
488.24521	3.7
490.26065	5.2
492.28421	2.0
502.25897	3.1
506.25278	8.2
508.27200	8.2
520.27002	8.9
524.26324	8.9
538.28101	23.5
556.29108	55.4
574.30188	5.0
672.32117	3.8
686.33093	9.8
704.34235	87.8
705.33997	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01671	0.5
55.01881	5.2
55.05512	1.2
57.03428	0.7
64.25631	0.5
65.03950	0.7
66.91577	0.6
67.05508	3.2
69.03438	1.5
69.07059	0.8
69.54227	3.6
71.05019	0.5
73.06577	0.5
77.03919	0.7
79.05486	3.9
81.03428	3.6
81.07065	3.2
83.04979	1.2
83.08623	0.7
91.05492	9.8
93.07063	3.9
95.01331	0.6
95.04970	4.0
95.08611	2.7
97.02888	0.6
97.06520	0.7
102.04695	0.8
103.05479	41.8
104.05782	0.8
105.03439	0.7
105.04529	1.1
105.07035	6.6
107.04965	2.1
107.08595	2.5
109.06540	1.6
109.10173	0.9
113.58527	0.5
115.05450	2.6
116.06215	0.5
117.07024	6.4
119.04975	0.5
119.08584	9.9
119.90055	0.6
121.06527	1.6
121.10157	1.5
123.08092	0.8
128.06213	2.0
129.07024	6.1
131.04942	100.0
131.08588	8.0
132.05281	0.9
133.06526	1.5
133.10146	5.9
135.08081	2.5
135.11754	0.6
141.07018	1.7
142.07793	2.2
143.08559	6.3
144.05695	1.1
144.09296	0.8
145.06519	5.7
145.10141	4.9
147.08060	22.7
147.11720	1.3
149.09641	4.3
153.07065	1.2
154.07745	0.7
155.05972	0.8
155.08586	2.9
156.09378	4.8
157.06435	0.7
157.10144	10.0
158.07245	0.8
158.10936	0.6
159.08078	13.2
159.11745	5.9
161.06001	1.2
161.09627	11.3
161.13255	0.8
163.07565	13.8
163.11263	1.3
165.07066	0.7
166.07780	0.9
167.08583	0.8
168.09392	0.8
169.10098	4.4
170.10934	2.4
171.08064	2.5
171.11705	15.1
173.06018	1.7
173.09674	5.8
173.13301	2.6
175.07584	4.1
175.11182	1.3
179.08641	1.1
179.10628	0.7
180.09352	1.0
181.10143	2.2
182.07341	0.8
183.08080	0.9
183.11714	10.8
184.08832	0.5
185.09683	3.2
185.13277	12.1
187.07594	1.5
187.11235	2.3
189.09081	1.1
193.10196	1.3
194.11020	0.8
195.08087	0.7
195.11728	2.4
197.09637	2.6
197.13281	3.7
199.07516	0.7
199.11235	4.8
201.09090	1.2
201.12762	1.5
203.10617	1.5
205.12177	1.2
206.10902	0.7
207.11687	1.5
209.09674	0.7
209.13310	1.8
211.11208	2.5
213.09193	0.8
213.12762	10.6
215.10666	1.0
215.14447	0.9
217.12271	2.5
219.11876	0.9
220.12469	1.0
221.13272	1.3
223.11237	2.3
223.14861	0.9
227.10744	1.1
229.10254	1.0
229.12314	2.4
231.11862	1.0
231.13847	3.2
232.12556	0.7
233.13411	0.9
233.15445	2.1
235.11197	0.9
237.12927	1.1
239.14467	0.7
241.12344	2.6
243.11684	1.4
243.13875	2.4
245.09616	1.0
245.11603	0.6
245.15392	8.9
247.11171	1.0
249.12639	0.7
249.16547	0.8
251.14330	0.8
255.13762	2.6
258.14160	0.7
259.13174	3.6
260.12219	0.8
261.12552	1.0
261.14929	1.7
263.14172	0.8
263.16641	1.2
267.11768	0.7
269.13184	0.6
273.14926	6.9
274.13565	0.6
275.14139	0.8
277.15814	0.6
283.14822	1.0
285.12830	0.7
286.13409	1.0
287.14523	1.3
291.15958	3.9
297.12799	1.0
299.14215	2.0
301.15921	1.1
302.16556	0.9
303.17545	1.1
311.14249	0.9
312.15079	1.3
313.15909	0.9
315.17484	2.3
317.19092	1.8
326.16782	0.7
327.14120	0.7
327.17480	3.2
329.15402	1.2
329.19012	1.3
331.20709	1.2
341.19055	3.0
345.14853	0.7
345.18573	3.1
345.22104	0.5
347.19604	0.8
357.18372	1.5
359.20071	3.8
361.18045	0.6
363.19565	1.0
369.18661	1.7
375.19263	1.1
377.21143	1.7
387.19455	5.1
389.21265	3.0
391.22830	3.7
401.21066	4.3
405.20761	3.1
407.22113	2.1
419.22244	14.6
421.31555	0.6
437.23312	7.5
463.54224	0.6
489.23056	0.9
503.24316	0.9
507.23959	4.3
507.35507	0.7
521.25507	5.0
525.24811	0.9
539.26361	4.2
640.21393	0.8
655.29120	5.2
660.47339	0.7
669.30597	3.1
672.27277	2.6
686.39313	0.9
687.31689	5.3
704.30499	1.3
704.41608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01671	0.5
55.01881	5.2
55.05512	1.2
57.03428	0.7
64.25631	0.5
65.03950	0.7
66.91577	0.6
67.05508	3.2
69.03438	1.5
69.07059	0.8
69.54227	3.6
71.05019	0.5
73.06577	0.5
77.03919	0.7
79.05486	3.9
81.03428	3.6
81.07065	3.2
83.04979	1.2
83.08623	0.7
91.05492	9.8
93.07063	3.9
95.01331	0.6
95.04970	4.0
95.08611	2.7
97.02888	0.6
97.06520	0.7
102.04695	0.8
103.05479	41.8
104.05782	0.8
105.03439	0.7
105.04529	1.1
105.07035	6.6
107.04965	2.1
107.08595	2.5
109.06540	1.6
109.10173	0.9
113.58527	0.5
115.05450	2.6
116.06215	0.5
117.07024	6.4
119.04975	0.5
119.08584	9.9
119.90055	0.6
121.06527	1.6
121.10157	1.5
123.08092	0.8
128.06213	2.0
129.07024	6.1
131.04942	100.0
131.08588	8.0
132.05281	0.9
133.06526	1.5
133.10146	5.9
135.08081	2.5
135.11754	0.6
141.07018	1.7
142.07793	2.2
143.08559	6.3
144.05695	1.1
144.09296	0.8
145.06519	5.7
145.10141	4.9
147.08060	22.7
147.11720	1.3
149.09641	4.3
153.07065	1.2
154.07745	0.7
155.05972	0.8
155.08586	2.9
156.09378	4.8
157.06435	0.7
157.10144	10.0
158.07245	0.8
158.10936	0.6
159.08078	13.2
159.11745	5.9
161.06001	1.2
161.09627	11.3
161.13255	0.8
163.07565	13.8
163.11263	1.3
165.07066	0.7
166.07780	0.9
167.08583	0.8
168.09392	0.8
169.10098	4.4
170.10934	2.4
171.08064	2.5
171.11705	15.1
173.06018	1.7
173.09674	5.8
173.13301	2.6
175.07584	4.1
175.11182	1.3
179.08641	1.1
179.10628	0.7
180.09352	1.0
181.10143	2.2
182.07341	0.8
183.08080	0.9
183.11714	10.8
184.08832	0.5
185.09683	3.2
185.13277	12.1
187.07594	1.5
187.11235	2.3
189.09081	1.1
193.10196	1.3
194.11020	0.8
195.08087	0.7
195.11728	2.4
197.09637	2.6
197.13281	3.7
199.07516	0.7
199.11235	4.8
201.09090	1.2
201.12762	1.5
203.10617	1.5
205.12177	1.2
206.10902	0.7
207.11687	1.5
209.09674	0.7
209.13310	1.8
211.11208	2.5
213.09193	0.8
213.12762	10.6
215.10666	1.0
215.14447	0.9
217.12271	2.5
219.11876	0.9
220.12469	1.0
221.13272	1.3
223.11237	2.3
223.14861	0.9
227.10744	1.1
229.10254	1.0
229.12314	2.4
231.11862	1.0
231.13847	3.2
232.12556	0.7
233.13411	0.9
233.15445	2.1
235.11197	0.9
237.12927	1.1
239.14467	0.7
241.12344	2.6
243.11684	1.4
243.13875	2.4
245.09616	1.0
245.11603	0.6
245.15392	8.9
247.11171	1.0
249.12639	0.7
249.16547	0.8
251.14330	0.8
255.13762	2.6
258.14160	0.7
259.13174	3.6
260.12219	0.8
261.12552	1.0
261.14929	1.7
263.14172	0.8
263.16641	1.2
267.11768	0.7
269.13184	0.6
273.14926	6.9
274.13565	0.6
275.14139	0.8
277.15814	0.6
283.14822	1.0
285.12830	0.7
286.13409	1.0
287.14523	1.3
291.15958	3.9
297.12799	1.0
299.14215	2.0
301.15921	1.1
302.16556	0.9
303.17545	1.1
311.14249	0.9
312.15079	1.3
313.15909	0.9
315.17484	2.3
317.19092	1.8
326.16782	0.7
327.14120	0.7
327.17480	3.2
329.15402	1.2
329.19012	1.3
331.20709	1.2
341.19055	3.0
345.14853	0.7
345.18573	3.1
345.22104	0.5
347.19604	0.8
357.18372	1.5
359.20071	3.8
361.18045	0.6
363.19565	1.0
369.18661	1.7
375.19263	1.1
377.21143	1.7
387.19455	5.1
389.21265	3.0
391.22830	3.7
401.21066	4.3
405.20761	3.1
407.22113	2.1
419.22244	14.6
421.31555	0.6
437.23312	7.5
463.54224	0.6
489.23056	0.9
503.24316	0.9
507.23959	4.3
507.35507	0.7
521.25507	5.0
525.24811	0.9
539.26361	4.2
640.21393	0.8
655.29120	5.2
660.47339	0.7
669.30597	3.1
672.27277	2.6
686.39313	0.9
687.31689	5.3
704.30499	1.3
704.41608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01868	4.7
55.05523	11.0
67.05492	4.3
69.03416	5.6
70.06612	11.6
71.04986	3.9
72.63729	2.2
79.05508	4.9
81.03444	2.9
81.07059	8.6
82.02934	9.1
83.04980	14.3
83.05375	2.3
86.06080	15.2
87.04468	6.8
91.05480	9.5
93.07040	8.1
94.06601	2.3
95.04954	4.1
95.08595	5.4
98.06062	47.0
103.05476	51.5
103.38378	1.8
105.07018	8.5
107.08601	4.7
109.06482	2.4
115.05468	6.9
117.07024	30.4
119.08581	20.8
122.06054	19.9
124.07597	6.9
128.06252	3.2
129.06981	6.6
131.04942	100.0
131.08577	14.1
132.05237	3.8
133.06453	7.0
133.10138	11.2
133.42038	2.0
135.08047	8.7
140.07085	43.2
141.07002	2.4
142.07768	3.3
143.04898	3.5
143.08595	12.5
145.06523	10.8
145.10118	7.5
147.08032	4.0
147.11694	3.4
149.09579	5.2
150.05537	10.0
155.08614	4.6
156.09335	7.4
157.10139	17.1
159.08054	6.8
159.11691	9.2
161.05968	6.1
161.09615	4.9
167.08563	2.9
168.06583	77.2
168.09337	3.9
169.10110	10.7
170.10948	3.9
171.08096	4.8
171.11696	25.9
173.09586	10.7
173.13254	5.5
179.08528	3.6
179.10648	9.8
181.10133	5.0
183.08073	2.8
183.11710	34.5
185.09708	5.3
185.13280	18.1
187.11139	7.9
190.12256	2.8
193.10147	3.4
195.11729	4.1
197.09647	7.0
197.13289	2.9
198.10440	3.8
199.11243	8.7
200.10616	3.3
201.12724	5.1
202.12317	11.4
207.11726	5.6
209.09911	2.2
209.13303	2.5
211.11205	6.8
213.09248	3.1
213.12762	19.8
214.12340	6.1
215.10715	3.2
217.12209	3.8
221.13274	5.5
223.11212	3.4
228.10197	5.8
229.10152	2.4
229.12210	6.8
230.11821	18.2
231.11673	5.5
231.13870	8.0
232.12254	3.1
233.13232	3.7
234.13831	2.7
235.14882	2.7
241.12161	3.7
242.11618	3.6
243.11627	3.3
243.13788	4.9
244.12589	4.1
245.13348	4.5
245.15445	8.6
245.48309	2.2
246.11276	5.0
246.13655	2.6
247.14871	6.7
248.12843	26.2
249.16435	2.4
256.09854	3.0
257.13281	3.2
259.14694	6.9
260.12854	4.4
261.12732	2.7
261.16275	2.9
262.14285	4.4
264.12177	2.8
269.13269	2.5
270.14053	3.8
271.14774	2.6
273.14917	8.4
274.10742	4.4
276.12338	3.0
277.15659	3.4
283.14954	2.4
285.12674	2.4
285.16306	4.0
287.14056	3.0
289.15689	3.3
291.16129	3.7
300.15594	2.6
301.15924	3.1
303.17715	2.5
309.16949	9.3
313.15762	3.4
315.17407	3.5
319.16791	2.2
329.19086	2.8
333.18491	2.2
337.18121	3.0
339.17490	3.3
357.18515	3.6
389.21094	2.2
416.22354	3.1
428.22275	3.4
442.23715	5.6
458.23282	6.5
460.24643	6.7
470.22952	6.1
475.26572	3.1
478.26123	3.8
488.24536	10.7
490.25562	5.2
492.27377	3.5
496.26688	3.4
502.25748	6.1
506.25473	14.1
508.26672	4.9
520.27063	12.4
524.26416	14.4
538.28296	12.2
556.28809	13.2
669.32385	4.2
672.31500	21.5
686.33246	17.6
704.23206	3.4
704.34399	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	704.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01874	2.3
55.05510	8.2
56.05033	3.0
57.03425	1.0
66.66729	0.9
67.05509	3.0
69.03419	3.6
69.07091	1.1
69.18988	8.7
69.19386	2.5
70.06585	3.7
72.04524	1.8
74.06072	2.8
74.09711	2.6
77.03915	1.3
77.51077	0.9
79.05489	4.4
80.04991	1.2
81.03400	1.6
81.07059	5.3
82.02941	6.0
82.06586	1.0
83.01363	1.1
83.04984	12.9
84.05307	1.1
85.02922	1.1
91.05482	8.9
93.07056	6.2
95.04967	4.3
95.08603	2.9
96.39153	0.8
97.06523	1.7
98.06050	9.3
98.21574	1.5
103.05474	47.8
105.03380	2.4
105.04516	1.4
105.07036	9.4
107.04945	1.6
107.08588	3.2
108.04510	1.0
109.06512	2.1
109.10192	1.0
115.05473	3.4
117.07006	7.7
119.04982	1.3
119.08565	10.0
121.06542	1.9
121.10139	2.9
126.05522	71.9
128.06204	2.9
128.07092	2.0
129.07016	3.7
131.04933	100.0
131.08592	9.5
132.05267	2.1
133.06519	1.9
133.10141	14.1
135.08072	2.7
136.03920	0.8
136.07521	0.9
141.06956	1.9
142.07782	3.3
143.08563	8.2
144.09282	1.4
145.06490	3.2
145.10133	5.7
147.08057	3.0
147.11769	1.4
149.09612	2.9
152.07124	1.2
153.06886	1.1
154.07750	2.0
155.08521	4.6
156.09315	5.6
156.30405	1.0
157.10141	13.3
159.08041	5.1
159.11729	4.6
161.05971	1.0
161.09615	6.2
163.11223	1.7
165.06984	2.1
167.08549	1.4
169.06535	1.0
169.10133	6.7
170.10921	6.5
171.08057	3.2
171.11707	20.3
172.08888	1.9
173.09647	4.6
173.13342	2.5
175.07555	2.6
178.12230	2.2
179.08463	1.4
181.08675	1.4
181.10161	4.2
183.08171	2.5
183.10086	1.8
183.11703	31.5
184.12199	1.5
185.09656	3.2
185.13272	16.9
187.11171	3.9
187.14781	1.4
188.10666	10.5
189.12711	1.3
192.09494	1.3
193.10158	2.4
195.11676	5.5
197.09637	3.6
197.13280	3.9
198.10356	3.3
199.11215	7.5
201.09244	1.2
201.12727	2.6
202.12190	1.8
204.10352	4.9
205.12070	1.1
206.11797	34.8
207.11743	3.3
209.09746	1.8
209.13353	2.8
211.11192	4.1
213.12740	19.4
214.13062	1.2
215.14334	1.3
216.10229	1.7
217.10277	1.6
218.11884	5.2
219.11630	2.7
220.12785	1.9
221.13193	5.0
222.11264	4.3
223.11281	1.8
227.10721	1.7
229.10229	1.7
229.12326	2.7
230.10896	1.2
231.11824	2.0
231.13817	2.8
232.09802	5.6
232.12842	3.1
233.13268	3.1
234.11192	3.7
235.14809	2.7
237.12685	1.7
239.10605	1.3
240.73552	1.3
241.10089	1.2
241.12280	3.4
243.11826	1.9
243.13831	2.8
244.13261	2.4
245.13206	3.7
245.15421	6.8
246.14095	3.1
247.11153	1.3
247.14833	5.1
248.12189	1.1
248.15273	1.5
249.16360	2.0
251.14322	1.7
255.13962	1.3
256.13315	1.8
258.14224	2.8
259.15237	4.8
260.12103	1.2
260.15662	1.7
261.12857	1.5
261.16275	2.9
263.14075	1.5
271.14905	3.0
272.15543	1.2
273.12463	1.2
273.14542	6.1
275.14246	1.4
277.15918	1.7
284.15683	1.2
286.14111	2.0
287.14337	2.0
288.14893	1.0
289.15848	3.1
291.16058	3.6
299.18015	1.5
301.15912	2.8
302.16638	1.6
315.13580	1.1
315.17291	1.7
322.17810	1.3
332.16202	1.0
333.17365	1.8
336.15927	5.1
351.18240	1.7
374.21338	2.3
376.22797	1.6
386.21133	4.3
388.22961	1.1
390.24457	1.1
400.22684	4.1
403.19162	1.0
404.22510	1.9
410.20923	1.4
416.22443	6.5
418.23779	5.5
424.90021	1.2
428.22342	5.4
434.23093	1.5
446.23401	11.0
448.24951	5.1
450.26151	2.1
460.24966	6.6
464.24530	6.3
478.25986	9.3
496.26776	4.2
506.25214	4.1
520.26990	1.8
524.26630	8.2
542.27515	1.5
556.28943	2.2
568.28436	1.0
608.29517	1.7
626.31348	2.1
654.30878	1.8
655.16736	1.1
655.29071	2.1
672.31689	23.7
686.33142	5.4
704.23157	1.3
704.34387	22.5
705.34167	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46562	0.3
53.03957	0.6
56.96583	0.5
56.99421	0.3
57.03456	0.5
61.02934	0.9
68.05695	0.3
69.03434	2.8
70.11473	1.2
70.92899	0.3
71.04999	0.4
73.02921	0.6
81.03430	1.4
85.02912	8.5
87.04485	0.8
91.03964	0.9
97.02901	2.9
97.06519	1.5
98.97614	1.1
99.04437	0.4
100.41010	0.3
109.02874	1.0
112.89959	0.3
118.06572	0.3
124.56822	0.4
127.03931	2.4
132.04485	3.2
145.02934	0.4
145.04999	1.7
146.06010	1.1
147.93005	0.3
157.08553	1.6
160.03938	0.6
163.03938	0.9
177.05396	0.3
178.05005	42.7
188.05479	0.4
188.07021	1.9
189.07428	1.1
191.66019	0.4
205.09764	1.6
206.04492	100.0
207.04813	0.7
213.04237	0.6
219.01794	1.0
230.08046	0.5
231.05414	0.9
231.08435	0.5
237.02827	1.1
248.11189	0.4
324.53488	0.3
355.61502	0.5
356.12207	1.0
356.62238	0.5
367.15103	0.5
368.09772	15.0
368.14548	0.7
375.09592	0.9
391.12057	0.5
393.10455	0.8
447.31580	0.4
549.18945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.61920	0.2
57.07066	0.5
58.06603	0.2
59.06118	0.4
67.05507	1.0
68.05865	0.2
69.07069	0.4
71.08649	0.2
79.05484	0.8
81.07040	1.0
83.05002	0.2
83.08656	0.3
91.05473	1.0
92.05848	0.2
93.07043	0.7
95.08604	0.5
97.06532	0.2
105.07012	0.5
107.08613	0.3
114.20551	0.2
117.07021	0.4
119.08579	0.5
119.53390	0.2
120.08907	0.2
121.10226	0.3
129.07042	0.3
131.08578	0.5
133.10170	0.2
135.11699	0.2
144.08116	0.2
145.10136	0.3
145.20961	0.2
163.57945	0.2
170.09741	0.2
172.11278	0.2
182.17729	0.2
195.22972	0.2
204.06487	0.2
207.58659	0.2
209.10687	0.3
221.10876	0.3
223.12218	0.3
225.13933	0.3
235.12280	0.2
237.10318	0.2
237.13998	0.2
248.13141	0.2
249.10402	0.2
249.13910	0.4
259.12085	0.2
261.13742	0.3
262.14572	0.3
275.15500	0.4
287.15567	0.2
289.17032	0.2
301.16916	0.3
303.14883	0.2
306.12909	0.2
313.13232	0.2
333.24524	0.3
352.18286	0.3
401.17947	0.2
413.17880	0.3
415.19958	0.3
417.20959	0.4
425.17749	0.3
426.18588	0.4
427.19412	0.7
428.20154	0.3
429.21832	0.5
430.21753	0.3
431.18289	0.3
432.23462	0.2
433.23761	0.5
439.15344	0.4
440.20493	0.4
441.21216	1.3
442.22119	0.3
443.22772	0.7
444.19604	0.6
445.19650	1.0
446.21051	0.5
453.16693	0.5
454.17352	1.3
455.18457	1.4
455.22867	1.3
456.23965	0.9
457.25015	1.3
458.20969	0.6
459.21753	5.2
460.22543	1.3
461.23340	0.7
467.23184	0.3
468.18848	0.9
469.19888	3.6
470.20743	2.2
471.21317	1.4
473.23474	0.3
482.21359	0.8
483.21790	15.1
484.22580	7.7
485.23407	4.4
486.24146	0.3
487.25778	0.3
495.21872	0.5
497.24066	1.3
498.23990	0.5
499.25424	1.3
500.26022	0.3
505.25882	0.2
511.22342	0.3
512.21948	0.3
513.26459	0.7
517.22626	0.2
519.23767	0.9
527.24109	1.4
529.24164	0.3
531.24121	0.7
532.24646	0.2
533.25391	0.4
539.24335	0.3
541.25739	0.4
542.23779	0.3
543.24481	1.3
545.25983	0.6
546.26477	0.3
547.26941	3.1
555.27386	0.4
557.26782	0.3
559.26880	0.5
570.26294	1.5
571.26996	3.1
573.28119	0.4
573.48798	0.5
574.49158	0.8
585.29169	0.9
587.26117	1.3
591.26166	0.5
597.28931	0.4
599.27362	0.7
601.28320	0.8
602.28192	0.3
603.29694	0.3
605.27094	0.2
606.28479	2.7
613.28149	0.4
615.30255	0.3
617.27954	0.2
618.28766	0.2
630.28369	9.8
631.29077	3.9
632.30121	0.4
643.32837	3.9
644.33301	0.3
645.30774	1.3
659.29193	0.6
668.45721	0.3
673.30072	0.4
674.30774	0.3
703.34900	100.0
704.35443	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	703.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.0
53.03944	3.6
55.01866	3.4
55.05518	62.8
56.68333	1.0
57.03472	1.3
62.10783	0.9
67.05509	5.0
69.03428	2.8
69.07059	2.2
71.01331	1.0
77.03938	1.7
79.05496	11.3
81.03400	1.7
81.07076	6.8
83.04991	100.0
84.05291	1.1
85.02886	2.6
85.47733	1.0
91.05486	14.7
93.07062	11.8
95.04985	6.9
95.08617	8.1
100.04015	1.0
101.02392	1.2
102.04730	1.0
103.05479	37.5
104.24641	1.1
105.03403	6.1
105.07043	23.4
107.04953	5.6
107.08608	5.3
109.02877	1.4
109.06522	3.7
115.05456	4.8
116.06247	2.0
117.07029	6.8
119.04961	5.3
119.08598	14.0
121.06510	4.0
121.10123	3.3
123.04398	1.3
123.08051	2.9
123.13753	1.1
128.06218	4.7
129.07019	6.5
130.07800	0.9
131.04942	80.9
131.08566	9.9
132.05324	1.5
133.06523	16.5
133.10141	11.7
135.08047	5.4
137.05971	2.7
141.07011	3.5
142.07816	5.3
143.04938	1.4
143.08583	12.9
145.06488	9.2
145.10127	12.7
147.04390	1.9
147.08060	7.8
147.11713	1.5
149.06004	4.1
149.09589	5.7
151.07541	2.5
153.07021	2.2
154.07826	1.8
155.08597	9.8
156.09355	10.2
157.06480	2.6
157.10138	22.6
159.04289	1.2
159.08075	9.6
159.11668	6.0
160.08815	1.2
161.05997	42.7
161.09613	5.8
163.07523	4.6
163.11227	4.2
165.06973	3.7
165.09164	2.5
166.07677	1.2
167.08580	4.5
168.09328	3.2
169.10136	12.7
170.10910	8.4
171.08104	5.1
171.11707	42.2
172.08804	1.9
173.05960	3.8
173.09625	10.1
173.13187	2.7
175.07547	6.5
175.11159	2.5
177.05544	1.6
177.09114	4.6
178.07730	1.3
179.07008	2.9
179.08571	4.4
180.09355	2.4
181.10100	5.0
182.10950	1.3
183.08112	7.0
183.11711	34.4
183.67609	1.3
184.08839	2.6
184.12402	1.8
185.09721	6.1
185.13275	31.7
186.10445	1.9
187.07547	3.6
187.11244	3.3
189.05431	3.6
189.09116	3.2
191.07024	2.6
191.08652	1.1
191.10683	1.5
192.09282	1.8
193.08545	3.3
193.10158	4.8
194.10834	1.6
195.08060	2.0
195.11668	7.0
196.08842	3.0
197.09627	10.2
197.13287	4.7
198.10429	4.5
199.07516	4.0
199.11197	10.2
200.11935	1.6
201.09099	4.1
201.12761	6.2
203.06973	3.3
203.08720	1.5
203.10619	2.1
205.08498	1.9
205.10175	2.9
205.12242	3.3
206.10782	2.4
207.08209	1.3
207.11751	6.6
208.12376	1.8
209.09601	3.2
209.13260	3.9
211.07457	1.6
211.11176	19.2
213.09105	4.8
213.12759	22.2
215.08640	2.5
215.10684	3.1
217.08473	2.2
217.10213	2.5
217.12106	1.7
218.10933	3.0
219.11697	3.9
220.12431	2.5
221.09767	2.4
221.13277	6.0
222.14105	1.6
223.11220	4.4
223.14694	1.9
225.09161	2.8
225.12775	2.8
227.10733	2.8
229.08344	1.7
229.10201	2.7
229.12202	8.0
230.10930	2.7
231.09947	2.8
231.11746	4.2
231.13861	3.5
232.12506	3.0
233.09727	1.5
233.13434	6.9
234.10356	1.8
234.14116	2.1
235.11145	2.6
235.14783	3.8
236.12132	1.4
237.12848	2.7
237.16422	1.4
239.10670	3.5
239.14413	2.3
241.10149	1.7
241.12230	5.1
243.11671	5.0
243.13849	11.7
244.12469	4.9
245.09798	1.3
245.13213	7.5
245.15413	23.8
246.10281	2.0
246.13997	3.9
247.11163	4.3
247.14934	6.4
248.12094	2.1
248.15585	2.1
249.12801	3.2
249.16339	5.3
251.14328	2.1
251.17999	1.7
253.12367	1.6
255.11739	2.8
255.13876	3.2
256.12451	3.7
257.11386	7.7
257.15619	2.1
258.14093	5.0
259.11188	2.7
259.15085	8.2
260.11874	2.1
260.15540	3.8
261.08954	1.5
261.12604	3.9
261.16620	7.8
262.13513	1.9
263.10681	1.4
263.14203	2.0
263.18164	2.5
265.12311	1.6
268.12515	1.3
269.13150	1.3
270.10529	1.7
270.14017	3.5
271.11017	1.8
271.14676	4.8
272.11777	2.1
272.15610	2.3
273.12454	2.3
273.14969	10.5
274.13492	3.6
275.14566	1.6
275.17947	3.3
276.15024	2.1
277.12375	2.2
277.15820	3.6
279.13739	1.4
279.17310	1.8
283.11087	2.7
284.11871	1.5
284.15244	1.2
285.12787	3.5
285.16336	3.7
286.13507	3.2
286.16733	1.2
287.14310	5.3
287.17523	1.5
288.15228	2.1
289.12021	2.2
289.15701	4.4
290.12958	1.3
291.14142	1.2
291.17419	5.2
293.15408	1.2
297.12802	2.6
298.13589	3.7
299.14276	4.1
299.17688	2.0
300.14914	1.9
301.12439	2.0
301.15839	5.8
302.13046	1.8
303.14081	1.7
303.17374	6.4
305.15030	1.2
307.16815	2.3
311.14197	1.2
312.14984	2.4
313.12497	1.2
313.15802	5.8
315.13733	2.5
315.17102	2.6
316.14609	1.6
317.15421	5.4
317.18948	2.1
319.13513	1.2
319.16943	4.3
321.18457	3.3
323.20068	2.3
327.13867	1.4
327.17413	2.8
329.15265	2.8
331.16974	7.8
333.18307	2.8
335.16367	1.8
335.19977	2.3
341.15366	3.6
342.16043	1.5
343.16718	2.7
345.14896	2.4
345.18530	4.3
347.16342	2.1
347.20358	1.9
349.17923	3.5
351.19574	4.1
353.20935	1.4
355.16919	4.8
359.16476	7.0
361.17960	3.5
363.19678	6.6
371.16681	1.4
373.18091	9.2
375.19675	1.7
377.17181	4.9
379.18918	2.3
381.20755	2.3
383.16168	1.8
387.15384	2.2
387.19669	2.9
389.17255	2.5
391.18982	12.9
395.22192	1.7
399.15945	2.4
401.17563	5.9
403.18970	2.1
405.21011	6.5
406.75153	1.3
409.20224	2.6
415.19183	3.8
417.16968	2.1
419.18439	5.3
421.20093	4.1
423.21817	3.7
433.20157	15.7
435.17981	3.8
441.23029	1.5
447.21576	1.6
451.21204	14.4
455.23834	1.7
465.22748	8.0
469.22601	1.7
473.22974	1.3
475.20679	1.5
483.23950	6.4
493.21805	2.3
511.23563	5.4
525.24579	1.5
529.24316	4.6
533.25354	2.5
537.20776	2.4
543.25769	2.1
553.24158	2.0
555.21863	3.4
565.27832	1.4
571.24457	1.7
585.58978	1.2
611.28308	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	703.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.01868	4.2
55.05516	60.8
57.06696	1.2
65.03942	2.1
67.05519	5.7
69.03437	2.5
69.07069	2.2
79.05495	10.8
81.03419	3.4
81.07062	9.9
83.04987	100.0
85.02884	1.8
91.05486	15.8
93.07055	12.3
95.04970	5.0
95.08617	8.4
97.02892	1.4
97.06537	1.0
103.03912	1.5
103.05479	9.9
105.03387	4.9
105.04515	1.2
105.07041	18.7
107.04961	8.0
107.08591	7.4
109.06515	3.6
109.10168	2.4
111.04447	1.1
115.05438	4.1
117.07040	7.4
119.04958	10.0
119.08595	15.0
121.06522	4.5
121.10162	2.9
123.04451	1.8
123.08080	3.3
128.06239	4.9
129.07007	7.1
131.04948	19.6
131.08569	13.0
133.06491	12.9
133.10152	10.1
135.08064	5.4
137.05966	2.5
141.06993	3.6
142.07840	5.4
143.04913	1.7
143.08574	13.9
145.06482	5.6
145.10129	10.3
147.04456	3.7
147.08054	9.2
147.11713	1.7
149.05994	3.9
149.09601	6.2
151.07530	2.5
153.06931	2.5
154.07774	2.4
155.08545	9.4
156.09354	11.0
157.06538	3.6
157.10135	20.4
159.08041	7.3
159.11694	4.5
161.05997	11.7
161.09627	5.2
163.07526	4.0
163.11185	4.9
165.07030	1.7
165.09158	2.3
166.07912	1.5
167.08493	2.8
168.09416	3.2
169.10121	18.3
170.07166	1.4
170.10913	8.7
171.08076	7.1
171.11691	39.9
172.08791	2.0
173.09589	8.2
173.13242	2.7
175.07581	5.0
175.11142	2.6
177.05455	1.6
177.09064	2.7
178.07796	1.5
179.07117	2.2
179.08524	3.0
180.09328	1.9
181.10019	5.6
182.10960	1.4
183.08194	5.6
183.11710	32.0
184.08914	1.4
184.12326	1.6
185.09686	7.7
185.13280	25.8
186.13669	1.5
187.07541	3.7
187.11180	4.4
189.05458	2.4
189.09103	2.8
191.07001	2.5
191.10591	2.3
192.09233	2.2
193.08597	2.5
193.10158	7.3
194.10912	1.4
195.08054	1.8
195.11694	7.2
196.12437	1.5
197.09618	9.2
197.13258	6.7
198.10338	2.4
199.07596	1.3
199.11186	10.4
200.11952	1.9
201.09186	2.5
201.12769	5.2
203.06952	2.2
203.08687	1.8
203.10695	2.3
205.10123	3.1
205.12302	3.6
206.10966	1.5
207.11746	7.9
208.12398	1.8
209.09612	3.3
209.13257	5.3
211.07524	2.3
211.11201	10.4
211.14798	1.2
213.12746	17.0
215.08701	1.7
215.10625	4.2
216.09352	1.5
217.10150	4.4
217.12062	1.6
218.10901	2.4
219.11743	5.1
219.13649	1.3
220.12439	4.1
221.09758	2.4
221.13394	5.9
222.14003	2.1
223.11169	4.0
223.14761	3.0
225.09055	3.2
225.12781	2.7
227.10808	1.6
229.10104	5.1
229.12277	4.8
230.10812	5.6
231.09756	1.9
231.11667	8.0
231.13843	4.0
232.12529	4.2
233.09724	2.5
233.13387	5.9
234.10394	1.7
234.14027	2.4
235.11269	2.8
235.14842	3.7
237.12814	3.5
237.16467	2.1
239.10637	2.0
241.12242	5.8
242.10983	2.5
243.11668	6.5
243.13834	9.3
244.12604	7.5
245.13196	11.5
245.15417	22.6
246.14037	7.0
247.11163	4.8
247.14899	9.3
248.15588	2.5
249.12732	3.4
249.16458	8.5
250.13551	1.5
251.10591	2.0
251.14464	2.0
251.17934	1.9
255.11588	3.4
255.13916	2.9
256.12466	3.3
257.11578	4.5
257.13489	4.3
258.14053	5.2
259.11130	3.4
259.15204	9.1
260.12070	2.1
260.15652	6.7
261.12946	5.7
261.16431	12.4
262.13513	2.0
262.17386	2.0
263.10950	1.2
263.14282	3.7
263.18124	6.0
265.12228	2.5
267.11533	1.6
269.09418	1.6
269.13110	1.6
269.15625	1.2
270.13995	4.1
271.14716	5.7
272.15561	2.7
273.12640	3.8
273.14511	5.7
273.16663	3.3
274.13492	4.3
274.17297	1.4
275.14389	6.0
275.17789	5.8
276.15179	2.0
277.12219	1.4
277.15918	5.2
279.17462	2.3
283.11157	2.1
283.14777	2.5
284.12027	2.8
285.12930	2.5
285.16333	4.2
286.13574	2.3
287.10880	1.7
287.14175	4.9
287.17517	1.8
288.15030	3.2
289.12045	1.6
289.15799	7.9
290.16708	2.4
291.14163	1.4
291.17505	7.5
293.19073	2.5
297.12698	2.2
298.13553	2.2
299.14221	5.3
299.17517	1.7
300.14841	2.0
301.12466	1.5
301.15851	6.5
302.13129	1.5
302.16501	1.9
303.13776	3.0
303.17471	8.5
304.14746	1.7
305.15353	1.6
307.16791	2.8
313.15875	6.8
315.17456	1.8
317.15540	6.9
317.18799	2.4
319.16998	4.4
321.15027	1.8
321.18579	3.5
323.20035	3.5
325.21628	2.2
327.17532	4.2
329.15384	4.9
331.16916	11.3
333.18448	4.9
334.19321	1.7
335.16278	2.1
335.19998	2.9
337.18106	1.5
341.15338	3.4
343.16977	3.2
344.14096	1.2
345.14688	2.6
345.18542	6.2
349.18036	5.8
351.19586	7.1
353.21225	2.2
355.16818	3.8
359.16409	8.5
361.18027	2.9
363.19519	11.2
369.20688	1.4
373.18091	12.8
374.18558	2.0
377.17264	7.0
381.20660	4.0
383.16269	1.8
387.19522	3.1
389.17349	1.4
391.19052	22.1
401.17438	4.5
403.18936	2.2
405.20599	7.9
407.18369	1.4
409.20395	5.7
411.21442	1.9
415.18887	4.5
419.18228	6.5
421.19952	2.4
423.21585	6.9
433.20203	13.6
437.23639	1.6
451.21204	25.4
455.24539	2.6
465.22672	9.1
469.22009	3.5
483.23938	7.8
493.22025	2.3
501.24478	2.2
511.23300	7.8
525.24475	2.1
529.24200	6.1
533.25354	1.7
543.25964	2.5
551.26770	1.4
565.27594	1.3
571.49908	1.5
611.28387	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	703.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62002	1.4
53.03942	5.0
55.01874	3.8
55.05514	60.3
56.78587	1.4
57.03442	1.8
59.07067	1.5
64.88301	1.3
67.05498	7.5
68.18730	1.5
69.03416	3.5
69.07078	3.8
71.59167	1.6
79.05493	14.3
81.03417	4.2
81.07061	11.1
81.11861	1.7
83.04986	97.8
85.02907	3.4
91.05482	17.5
93.07053	17.9
95.04971	8.6
95.08582	9.7
97.02898	2.7
97.06526	1.6
103.03976	2.1
103.05471	43.3
105.03378	4.5
105.04533	1.8
105.07029	23.0
107.04987	9.0
107.08608	10.4
109.06526	6.1
109.10133	1.7
112.80597	1.5
115.05468	5.6
117.06988	7.6
119.04936	6.7
119.08568	13.3
121.06512	8.1
121.10170	4.6
122.05993	1.8
123.04483	2.3
123.08044	4.3
125.05982	3.2
128.06242	3.4
129.07008	9.4
131.04932	100.0
131.08545	10.7
133.05663	2.2
133.06514	13.3
133.10155	10.1
135.08060	7.1
137.05980	3.8
140.07101	10.3
141.07118	5.1
142.07738	9.3
143.08574	12.7
145.06523	6.5
145.10120	11.8
147.04463	4.9
147.08008	10.4
149.05923	2.3
149.09653	5.8
151.07582	3.2
153.06941	2.5
155.08603	6.6
156.09375	8.8
157.06429	3.2
157.10136	22.4
159.08080	11.5
159.11708	5.1
161.06015	12.7
161.09589	7.6
163.07582	5.9
163.11247	2.8
165.07088	2.6
165.09157	2.1
167.08588	4.1
168.06544	16.1
169.06860	3.5
169.10109	17.7
169.49820	1.7
170.07195	1.8
170.10927	8.4
171.08087	9.7
171.11696	41.5
172.08742	1.9
172.12163	1.6
173.06007	2.6
173.09647	9.6
173.13293	2.6
175.07584	4.3
177.05460	3.4
177.09113	3.3
179.07085	3.6
179.08597	4.7
179.10574	1.7
180.09341	2.8
181.10141	6.6
183.08075	6.4
183.11682	32.3
183.13213	2.2
184.12228	2.8
185.09602	8.8
185.13257	27.5
187.07555	6.3
187.11195	7.4
189.05495	2.2
189.09091	3.5
191.07051	2.9
191.10715	2.2
193.08546	3.0
193.10129	6.1
195.08037	1.9
195.11627	9.1
197.09619	8.6
197.13266	5.6
198.10394	3.1
199.07555	3.6
199.11169	10.7
201.09148	4.6
201.12762	5.6
203.07039	3.1
203.10681	2.2
204.09435	2.2
205.10355	3.2
205.12244	4.1
206.10870	3.3
207.11726	7.3
208.12466	1.9
209.09656	5.2
209.13181	3.8
210.10188	1.9
211.11166	14.4
213.09142	6.4
213.12726	19.7
215.10664	6.1
215.14243	1.9
216.09482	3.6
217.08446	3.9
217.10156	4.8
217.12343	5.0
218.10889	2.6
219.08099	2.4
219.09897	2.8
219.11708	5.6
220.12466	3.5
221.13292	8.0
223.11246	5.3
223.14812	4.4
225.09155	2.9
225.12701	3.4
226.09863	1.8
227.10678	4.7
229.10254	2.4
229.12083	8.5
230.10953	4.6
231.09875	3.3
231.11728	4.7
231.13885	4.1
232.08801	1.8
232.12494	4.0
233.13219	5.1
234.14021	4.4
235.11172	2.9
235.14854	4.8
237.12794	6.0
237.16212	3.4
239.10646	4.1
241.12291	3.1
242.11023	2.1
243.11703	5.1
243.13834	9.4
244.12399	4.7
245.13263	9.5
245.15436	21.4
246.10640	2.0
246.13982	8.2
247.11282	4.5
247.14851	6.4
248.11772	2.1
249.12794	5.8
249.16446	9.9
251.14563	1.8
251.18044	2.4
255.11571	2.6
255.13884	4.1
256.12482	3.3
257.11807	11.8
258.14063	6.4
259.11151	2.7
259.14999	12.1
261.12869	5.2
261.16431	10.5
262.13425	2.1
263.14328	3.2
263.17880	6.1
270.13992	2.9
271.10962	3.1
271.14716	5.7
272.15747	2.0
273.12393	2.0
273.14807	4.9
273.16809	2.1
275.14270	7.1
275.17932	4.5
276.15161	2.2
277.12234	1.8
277.15842	5.0
278.16089	2.0
279.17322	3.1
283.11426	2.1
283.14740	2.6
285.12796	2.0
285.16379	3.8
287.14368	6.7
287.17712	2.0
288.15027	2.3
289.16174	10.3
290.16501	2.3
291.14276	2.0
291.17401	7.9
298.13477	2.4
299.14340	5.6
300.15088	2.4
301.12247	1.9
301.15829	5.4
303.17468	6.7
305.15393	2.4
307.16852	4.0
313.15768	5.3
314.16217	2.2
315.13745	3.8
317.15317	4.9
317.18875	3.0
319.16888	6.2
321.18448	5.8
323.20139	3.8
327.17294	3.6
329.15253	4.5
331.17038	9.2
333.18478	4.4
335.19971	3.4
341.15268	3.0
343.16772	3.3
345.18204	7.6
347.16333	3.6
349.18045	4.5
351.19525	7.1
353.21225	2.9
355.16922	3.2
359.16022	9.2
361.18021	5.2
363.19629	9.2
369.20749	3.0
373.17892	10.3
377.17514	5.4
379.18781	2.9
381.20581	5.3
387.19495	2.8
389.17093	2.9
391.19168	18.8
393.20703	2.2
401.17642	4.3
405.20941	8.1
406.20978	1.7
409.20151	6.7
415.19025	4.5
417.16827	2.8
419.18475	7.3
421.20331	2.2
423.21582	4.9
433.20065	12.4
435.18005	4.6
437.23837	2.5
447.21317	2.4
451.21201	25.0
453.19122	4.3
455.24490	2.3
465.22498	9.0
469.22202	2.8
483.23895	8.6
499.54495	1.9
511.23016	5.7
519.19940	2.5
525.24408	2.2
529.24310	3.8
533.25427	2.7
537.20978	3.1
539.24933	1.8
543.25629	2.5
551.26843	2.2
555.22107	4.8
563.80231	1.8
611.28595	5.2
703.34888	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	703.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01874	3.8
55.05514	57.3
67.05492	5.8
69.03421	4.9
69.07070	3.9
70.06599	2.9
70.36104	3.4
79.05484	9.6
81.03434	2.4
81.07040	7.9
83.04987	100.0
85.02885	4.0
91.05492	14.6
93.07047	9.2
95.04986	3.7
95.08599	11.5
103.05460	23.7
104.05824	2.7
104.90151	1.8
105.03336	2.4
105.07024	20.0
107.04953	7.7
107.08591	6.6
109.06530	3.8
115.05449	6.8
117.07005	6.9
119.04951	7.2
119.08564	16.0
121.06495	7.2
123.08025	2.5
128.06239	5.0
129.07002	5.1
131.04939	38.6
131.08568	11.7
132.05305	3.3
133.06502	12.2
133.10153	12.7
135.08055	7.3
138.05507	5.1
141.03413	1.8
141.06955	5.8
142.07780	3.6
143.08571	13.0
145.06525	8.9
145.10132	14.3
147.08035	8.6
149.05984	3.9
149.09596	6.8
151.07613	2.8
153.06963	2.0
155.08527	9.7
156.06564	4.5
156.09354	11.4
157.06503	2.9
157.10146	23.3
159.08047	10.0
159.11668	6.6
161.05954	9.6
161.09622	7.7
163.07532	4.1
163.11130	3.9
165.06926	2.7
167.08559	4.6
168.09354	2.3
169.10130	16.7
170.10901	8.7
171.08107	10.0
171.11693	50.1
173.09634	11.6
173.13287	3.6
175.07547	5.4
177.09123	2.4
179.07069	2.6
179.08618	4.7
181.10138	4.8
182.10970	2.6
183.08067	7.1
183.11710	36.5
184.12175	3.7
185.09647	9.0
185.13260	36.2
186.10181	2.1
186.13571	2.5
187.07654	2.8
187.11171	5.0
189.05609	3.1
189.09109	2.9
193.08484	2.9
193.10118	5.5
194.10878	3.7
195.11751	10.7
197.09630	7.9
197.13356	9.2
198.10437	2.8
199.11226	9.7
201.09151	4.5
201.12741	2.6
205.12193	3.9
206.10872	3.1
207.11771	9.3
208.12482	3.3
209.09610	3.1
209.13226	6.3
211.07567	3.3
211.11150	12.5
211.14851	2.8
213.09137	5.1
213.12732	22.3
215.10609	4.3
217.12151	3.1
218.10873	4.5
219.11748	5.7
220.12401	4.0
221.13263	7.7
223.07588	1.9
223.11179	4.5
223.14854	3.5
225.09149	2.6
225.12672	3.1
227.10724	3.0
229.10229	4.1
229.12245	7.8
230.10985	4.4
231.11896	3.8
231.13789	3.9
232.12390	3.1
233.09590	2.2
233.13246	6.3
234.10458	2.3
234.13982	4.4
235.14827	3.2
236.12004	2.3
239.10825	2.1
241.12299	4.9
242.10944	3.0
243.11705	6.9
243.13846	11.9
244.12474	8.7
245.13196	10.6
245.15430	17.3
246.13979	10.2
247.11195	4.7
247.14865	9.3
249.12682	4.5
249.16351	5.6
250.16797	2.0
251.17885	2.7
253.12537	2.6
255.11652	2.2
255.14026	3.6
256.12408	3.0
257.13464	5.1
258.10687	2.0
258.14041	5.7
259.11166	2.7
259.15051	11.1
260.15720	5.1
261.12778	3.6
261.16360	12.3
263.14404	3.0
263.17896	5.0
269.13257	2.3
270.14066	3.1
271.15152	3.4
273.12311	3.1
273.14972	8.7
274.13547	2.3
275.14349	5.5
275.17908	7.7
277.09329	2.7
277.15836	6.0
279.17276	2.2
283.10913	2.8
284.11874	2.5
285.12784	3.6
285.16321	6.0
287.14273	5.5
288.15063	2.2
289.15756	7.8
291.17422	6.8
293.15756	2.4
298.13483	4.9
299.14154	3.4
301.15808	6.5
302.12827	2.6
303.17480	7.0
307.16882	3.7
313.15836	9.0
315.13834	3.2
315.17383	3.3
316.14255	3.2
317.15228	4.7
319.16843	5.7
321.18530	4.2
327.17416	4.7
329.15289	3.6
331.17081	13.7
333.18323	3.8
335.16339	2.8
335.20023	5.1
341.15378	4.1
345.18500	9.0
347.16513	2.6
349.17941	8.0
351.19577	5.5
352.19540	2.7
355.16983	5.5
357.18463	2.5
359.16495	9.3
361.17789	4.8
363.19479	7.2
369.20578	4.2
370.20935	11.9
373.18118	13.8
375.19644	2.4
377.17154	3.7
381.20581	4.7
383.16229	2.7
387.19235	6.3
391.19025	17.6
401.17615	3.6
405.20795	9.6
409.20010	5.7
410.20279	3.0
415.18994	5.6
419.18451	5.9
421.19949	2.2
423.21527	6.1
428.21460	2.9
433.19925	14.9
447.21573	2.2
451.21204	20.0
452.21347	2.7
455.24081	2.5
465.22601	8.3
469.22125	4.3
470.22620	2.4
483.23981	9.4
488.23706	6.7
493.22241	3.5
501.24109	2.7
511.22937	5.3
520.26318	5.1
525.24750	2.0
529.24097	6.9
576.27271	3.3
611.28314	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	703.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
53.03958	2.3
55.01880	3.6
55.05509	1.9
57.03435	0.7
57.07059	0.6
60.96303	0.4
64.91565	0.4
67.05515	5.2
68.28970	0.4
68.94109	0.4
69.03434	1.6
69.07065	1.9
69.67949	2.2
71.49702	0.4
73.31854	0.5
77.03934	1.2
79.05507	4.8
81.03419	4.5
81.07063	5.8
83.04996	0.9
83.08621	0.7
85.02903	0.6
86.46801	0.4
91.05491	9.6
93.07049	5.0
95.01329	0.9
95.04981	5.0
95.08611	3.6
97.02913	0.8
97.06515	1.2
97.10152	0.8
103.05479	52.6
105.04520	1.2
105.07043	6.1
107.04949	2.4
107.08591	3.5
109.06521	1.8
109.10178	1.3
111.04361	0.6
115.05451	2.4
116.06274	0.6
117.07023	7.4
119.08592	7.6
121.06514	1.6
121.10185	2.3
123.08068	0.4
128.06236	1.7
129.07018	5.2
130.07803	1.0
131.04942	100.0
131.08592	6.8
132.05338	0.7
133.06474	0.8
133.10146	3.2
135.08066	1.7
135.11754	0.9
141.06978	1.4
142.07816	1.7
143.08566	5.0
144.05684	0.6
145.06494	4.2
145.10132	6.3
147.08057	16.6
147.09225	0.8
147.11720	1.1
149.09650	2.5
149.13264	0.7
154.07776	0.9
155.08559	2.8
156.09358	1.3
157.06531	0.9
157.10133	8.1
158.07350	0.8
159.08075	9.1
159.11711	6.4
161.06061	0.5
161.09612	4.1
163.07559	14.5
163.11223	0.7
165.07054	1.0
167.08661	0.9
168.09399	1.0
169.10138	5.8
170.10870	1.2
171.08081	1.3
171.11703	4.1
173.06029	1.2
173.09628	6.5
173.13261	2.2
175.07524	2.4
175.11227	0.7
177.09045	0.5
178.07712	0.5
179.08620	0.9
181.10150	1.3
183.08157	1.0
183.11728	9.4
184.09042	0.5
185.09683	2.6
185.13246	4.4
187.07536	0.6
187.11203	3.4
189.09193	0.7
191.10687	0.6
192.09300	0.5
193.10182	1.3
194.11017	0.5
195.11711	1.6
195.13467	0.5
196.08795	0.5
197.09706	2.3
197.13277	0.8
199.11209	1.9
201.09169	2.9
201.12798	4.0
203.10687	0.7
205.12169	0.5
206.10966	0.8
207.11780	1.7
209.09479	0.7
209.13309	1.1
211.11165	2.6
213.09171	0.5
213.12837	1.8
215.10715	1.7
217.10155	0.6
217.12117	0.7
221.13303	1.6
223.11247	1.2
227.10719	1.0
229.12225	3.5
231.13817	0.8
232.12502	0.7
233.15410	1.0
235.11137	0.9
237.12764	1.0
242.10927	0.6
243.13869	2.5
245.13379	0.9
247.11165	0.7
247.15070	1.0
249.12767	1.0
251.14352	0.6
256.12488	0.5
257.13397	1.0
259.11041	0.8
259.13251	0.9
260.12164	0.5
261.12582	0.7
261.14890	2.4
267.11588	1.0
271.13281	0.7
273.12732	0.7
273.18481	0.6
282.14023	0.5
285.12772	1.3
286.13547	1.0
287.14316	0.9
287.17685	0.5
289.14429	0.6
291.19577	1.8
297.16183	0.8
299.14322	1.8
300.15079	1.1
301.15866	0.9
313.12427	1.0
313.15933	1.0
313.27585	0.5
314.16840	0.7
315.13940	0.6
315.17346	4.4
316.17938	0.5
323.16556	0.5
325.15921	1.1
329.18945	2.6
333.13574	0.8
333.18570	1.2
339.17282	0.9
341.15573	0.6
342.15921	0.9
343.17004	1.8
347.19995	0.8
357.18503	4.9
361.17908	0.5
367.17059	0.5
375.19659	2.0
385.17868	1.2
389.21088	5.0
399.19455	0.8
403.18997	1.3
407.22180	2.1
417.20694	4.2
425.17548	0.6
435.21609	3.8
453.22900	0.5
459.21460	1.2
477.22559	1.0
495.23932	0.9
527.37323	2.4
528.38196	1.0
541.35364	0.5
581.24890	1.4
611.25049	0.9
611.35693	1.2
613.26642	0.5
671.26447	0.9
685.28906	0.8
685.39301	1.8
703.28583	17.0
703.40497	4.9
704.29047	0.5
728.63818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.5
53.03949	2.1
55.05508	3.2
57.03416	1.2
58.68204	0.7
58.73695	0.9
58.97814	0.7
67.05507	7.4
69.03445	3.5
69.07066	2.2
71.55446	1.3
72.34924	0.9
79.05496	7.0
81.03410	2.6
81.07058	5.0
83.04974	2.3
83.08630	0.9
85.02932	0.8
85.06560	0.9
91.05493	11.5
93.07059	9.7
95.04984	5.2
95.08616	3.5
103.05476	53.4
105.03392	1.1
105.04548	2.3
105.07047	11.7
107.04953	1.7
107.08606	7.4
109.06548	2.1
109.10176	3.3
115.05456	2.3
117.07017	4.9
119.08584	12.4
121.06530	2.0
121.10141	3.5
123.08096	1.4
128.06219	2.1
129.07001	3.9
131.04938	100.0
131.08572	5.8
132.05284	1.1
133.06505	4.5
133.10143	13.9
135.08073	4.4
137.06012	1.0
141.07007	2.5
142.07799	2.8
143.08553	6.6
145.06500	2.3
145.10135	7.1
147.08023	5.9
147.11736	1.7
149.06140	1.1
149.09601	6.3
154.07835	1.2
155.08597	3.6
156.09393	5.6
157.10152	12.4
159.08093	4.0
159.11722	4.0
161.06001	1.4
161.09644	3.9
161.71982	1.0
163.07573	1.9
163.11214	2.9
165.06981	1.3
167.08562	2.0
168.09401	2.3
169.10104	6.8
170.10957	4.2
171.08089	3.6
171.11691	17.5
172.08827	1.1
173.09644	6.3
173.13203	1.2
175.07634	1.8
175.11247	1.3
177.09117	1.7
179.07071	1.3
179.08440	1.7
181.10091	4.3
183.08200	1.5
183.11684	12.3
185.09637	4.7
185.13240	9.9
187.11244	2.8
187.14745	0.9
191.10661	1.0
193.08557	1.2
193.10245	1.6
194.10793	1.8
195.11806	3.5
196.12430	1.4
197.09608	3.0
197.13300	2.9
198.10347	1.5
199.07513	1.0
199.11172	4.7
201.09210	1.9
201.12682	1.5
205.10320	1.2
206.10939	2.2
207.11702	5.7
208.12445	1.4
209.09619	1.4
209.13330	2.7
211.11215	4.4
212.11943	0.9
213.09221	1.2
213.12730	11.0
215.10721	1.3
217.10223	1.7
217.12221	1.3
218.10858	1.8
219.11758	2.9
220.12582	1.9
221.13286	3.7
223.11201	2.2
223.14883	1.0
225.12682	1.3
227.10526	1.4
229.10231	1.6
229.12260	3.0
229.14261	1.2
230.10881	1.9
231.11844	1.6
231.13812	2.0
232.12453	2.0
233.09752	1.1
233.13300	4.4
234.14105	2.4
235.14902	2.6
237.12779	2.1
241.12283	3.0
243.11835	1.9
243.13988	1.9
244.12532	3.8
245.13235	2.8
245.15483	5.0
246.14046	1.8
247.11203	1.6
247.15167	4.1
248.15724	1.0
249.12793	2.1
249.16397	3.5
255.11598	1.6
255.13972	1.7
256.12384	1.8
257.13263	3.8
257.92975	0.9
258.14014	2.6
259.14896	3.0
259.20673	0.9
260.12134	1.2
260.15836	1.1
261.12689	1.2
261.16452	1.8
263.14310	1.7
269.13083	1.1
270.14041	1.7
271.14819	2.8
272.15530	1.6
273.15027	3.0
273.16409	1.1
275.14380	2.4
275.17886	2.0
276.15207	1.1
277.15906	1.6
282.13870	1.3
285.12970	1.4
285.16370	3.0
286.13644	1.1
286.17010	0.9
287.14261	1.8
287.17960	1.5
288.14978	1.6
289.15942	2.6
291.17355	1.9
297.16150	1.5
299.14029	0.9
300.15027	1.5
301.15869	2.5
301.19159	1.0
303.14038	1.4
303.17480	2.4
305.19116	1.9
313.15833	1.5
315.17462	3.4
317.15381	1.6
319.16998	2.0
321.18347	1.1
329.19040	3.6
331.16974	2.3
333.18637	3.0
345.18564	2.1
347.16284	3.2
347.20221	2.5
349.17941	3.3
351.19635	1.6
357.18472	1.4
359.16370	3.2
361.18066	1.3
363.19620	2.2
373.17963	5.6
375.19376	1.9
377.17377	4.2
381.20599	1.3
387.19775	1.2
389.21408	1.9
391.18790	5.5
401.17346	1.8
405.20416	1.6
409.19806	1.6
419.18320	4.8
423.21707	4.2
433.19958	4.4
451.21271	8.4
469.22208	6.0
541.35126	1.6
555.26117	2.3
703.39709	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	703.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.3
53.03949	2.7
55.01879	8.4
55.05508	1.0
65.03929	0.8
67.05501	2.0
69.03435	1.6
69.07034	0.5
77.03951	1.5
79.05492	4.5
79.64992	0.6
81.03419	6.5
81.07055	2.5
82.29781	0.5
83.04984	1.1
91.05486	17.1
92.48501	0.5
93.07048	4.3
95.01353	0.7
95.04973	7.5
95.08617	1.4
97.06538	0.6
102.04694	0.7
103.05476	54.0
105.03403	0.7
105.04507	1.1
105.06390	0.8
105.07040	10.2
107.04988	3.0
107.08607	4.1
109.06535	2.0
115.03939	0.8
115.05470	7.6
116.06233	1.5
117.07024	15.7
119.04977	1.0
119.08587	19.4
121.06515	2.4
121.10148	1.1
123.08096	0.7
123.84560	0.5
126.68752	0.5
126.86355	0.5
128.05432	0.5
128.06230	4.0
129.07011	11.6
129.07925	1.0
130.07780	2.5
131.04938	100.0
131.08574	11.7
132.05696	0.6
133.06477	1.7
133.10112	3.2
135.08076	3.1
141.06972	2.9
142.07819	4.0
143.08588	8.1
144.05743	1.3
144.09325	1.4
145.06494	12.3
145.10126	10.6
146.07220	0.6
147.08061	39.5
148.08365	0.5
149.06058	0.8
149.09633	4.4
150.84253	0.5
153.07002	1.6
154.07761	1.8
155.05969	0.7
155.08578	5.4
156.09367	4.0
157.06540	0.9
157.10146	14.2
158.07288	1.4
158.10815	0.7
159.08070	21.4
159.11700	14.1
161.06111	0.6
161.09639	10.7
163.07556	43.7
165.07034	1.5
166.07773	1.1
167.08548	1.6
168.09393	2.2
169.06439	0.7
169.10141	14.1
170.10936	2.8
171.06824	0.6
171.08049	3.2
171.11707	10.1
172.08769	1.5
173.06046	3.3
173.09639	16.2
173.13260	3.9
175.07559	5.0
175.11179	1.5
177.09114	1.3
179.08588	1.6
180.09387	0.8
181.08598	0.9
181.10007	2.8
183.08141	1.4
183.11714	24.3
185.09656	5.4
185.13275	11.4
186.10413	1.5
187.07573	2.1
187.11183	7.4
189.09146	1.4
191.08566	0.9
191.10683	0.8
192.09366	0.8
193.10153	2.4
195.08110	0.6
195.11679	2.8
196.73096	0.6
197.09612	6.5
197.13339	1.3
199.07640	0.9
199.11171	4.9
201.09120	6.7
201.12753	10.9
203.10750	1.5
205.12221	1.1
206.10916	1.5
207.11755	3.8
209.09695	1.9
209.13284	1.6
211.11205	7.3
213.09224	1.2
213.12825	3.2
215.08760	1.0
215.10574	3.3
217.10196	1.4
217.12225	1.8
218.10942	0.8
219.11661	1.3
220.12572	0.7
221.09673	1.0
221.13278	3.5
223.11244	2.4
223.14827	0.9
225.12790	1.3
227.08752	0.7
227.10661	2.6
229.10126	1.2
229.12221	10.9
230.10910	1.3
231.11877	1.1
231.13762	1.0
232.12532	1.6
233.11565	1.1
233.13454	0.9
233.15321	3.9
234.10394	0.8
235.11212	1.7
235.14940	1.3
236.12083	0.6
237.12776	2.4
239.10686	1.3
239.14333	0.9
241.10005	0.7
241.12283	1.4
242.10953	1.1
243.11629	1.5
243.13853	5.5
244.12465	1.2
245.09605	1.2
245.13315	0.8
245.15442	1.5
246.14157	0.7
247.11142	1.4
247.15103	1.3
248.11909	1.0
249.12729	2.6
251.14337	0.8
255.11592	0.8
255.13918	1.2
256.12558	1.7
257.13672	2.5
258.10596	0.6
258.13962	1.2
259.11093	1.7
259.13382	4.5
260.11963	1.2
261.12601	1.6
261.14893	5.6
263.14404	1.4
267.11694	1.2
268.12411	0.8
269.09662	0.7
269.13248	1.1
270.14114	1.1
271.11029	1.3
271.14908	1.7
272.11984	1.5
272.15631	1.6
273.12598	1.5
275.14328	2.1
277.12271	0.8
281.13068	1.2
282.14108	1.3
283.14734	0.7
284.12006	1.4
285.12753	2.9
286.13470	1.3
287.14334	2.3
287.17581	1.3
289.14352	1.7
291.13995	0.7
293.15637	0.8
295.14383	0.7
297.12750	0.6
297.16260	0.9
298.13458	1.1
299.14343	2.7
300.15012	3.1
301.15848	1.5
305.18912	0.9
305.51266	0.6
309.12692	1.1
310.13425	0.8
311.14029	0.7
313.12259	1.2
313.15884	2.3
314.13300	0.8
314.16644	1.5
315.13950	0.8
315.17450	12.3
316.18045	1.2
317.15503	1.3
323.16821	0.7
324.14993	0.8
325.15891	2.0
327.13782	1.8
327.17404	0.9
328.14523	1.1
329.18961	6.8
331.16904	1.1
333.18381	2.5
335.16412	0.8
339.17303	1.1
341.15482	1.4
342.16312	1.1
343.16931	4.0
347.16446	0.7
347.20108	1.4
357.18524	9.9
361.18100	1.3
367.16791	0.6
375.19604	5.8
385.17944	3.3
389.21121	11.1
399.19482	1.3
403.19138	3.5
407.22308	4.1
417.20691	8.2
435.21725	8.6
453.23196	1.0
463.21057	1.1
477.22696	1.9
495.23935	3.0
523.23236	1.0
595.06793	0.6
682.95166	0.7
690.79437	0.6
730.56390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.1
53.03963	3.7
55.01856	2.5
55.05270	1.1
55.05517	17.5
65.03915	0.8
67.05492	2.3
69.03429	1.9
69.07077	1.5
69.21650	5.4
71.01357	0.9
77.03920	1.5
79.05494	5.5
81.03410	2.0
81.07074	3.2
83.04985	30.9
85.02908	1.5
87.69129	0.7
91.05480	7.1
93.07044	4.8
95.04971	5.4
95.08617	3.0
98.20741	1.6
103.05476	47.2
105.03391	6.2
105.04519	1.3
105.07040	15.2
107.04939	2.0
107.08576	2.2
109.06540	1.5
109.10187	0.6
115.05445	4.8
117.07049	3.7
119.04954	2.0
119.08590	7.2
121.06491	4.0
121.10173	1.6
123.08109	1.3
125.05970	1.0
128.06235	3.0
129.07016	4.1
131.04939	100.0
131.08580	7.2
132.05267	2.2
133.05539	0.6
133.06502	14.6
133.10104	3.2
135.04349	0.8
135.08073	3.2
137.05968	1.1
137.24434	0.7
141.07010	1.9
142.07803	3.9
143.04910	0.7
143.08580	6.6
145.06465	3.8
145.10114	5.8
147.04385	0.9
147.08064	3.2
147.11670	0.7
149.05989	1.4
149.09642	2.2
151.07524	0.8
153.07018	1.4
154.07765	0.7
155.08577	3.9
156.09358	5.7
157.06522	1.3
157.10133	8.8
158.07332	1.1
159.08073	6.6
159.11729	3.0
161.05989	39.5
161.09668	2.5
163.07579	3.4
163.11215	1.7
165.07021	2.0
165.09158	1.2
166.07817	1.7
167.08580	3.0
168.09363	1.8
169.06505	1.3
169.10155	6.4
170.10977	3.6
171.08022	3.5
171.11699	17.0
172.08713	1.6
173.06007	2.0
173.09662	4.8
173.13280	1.8
175.07582	2.7
177.05515	0.8
177.09187	1.4
178.07854	1.6
179.07039	2.3
179.08568	1.2
181.06528	1.0
181.10130	4.0
181.74178	0.8
182.07436	0.7
183.08122	4.9
183.11707	14.1
184.08853	2.0
184.12477	0.9
185.06023	1.0
185.09642	5.0
185.13257	11.9
185.14844	0.9
186.10272	0.9
187.07545	2.8
187.11200	2.6
189.05489	1.5
189.09187	2.0
191.07057	1.0
191.10574	0.7
192.09311	1.2
193.08627	1.4
193.10187	4.0
195.08138	1.9
195.11784	3.4
196.08885	2.5
197.09621	6.4
197.13277	2.6
198.10466	3.3
199.07610	1.8
199.11221	7.4
200.11784	1.0
201.09132	2.9
201.12779	2.7
203.06990	1.5
203.08736	1.0
203.10623	1.4
204.09337	1.0
205.10211	1.3
205.12234	1.6
206.10939	1.1
207.11752	3.4
208.08817	1.1
208.12389	1.2
209.09705	2.8
209.13246	1.4
210.10478	1.0
211.07593	1.5
211.11198	14.6
213.09178	2.6
213.12764	11.2
215.08742	1.2
215.10670	2.1
216.09380	1.2
217.08461	1.4
217.10326	1.5
217.12181	0.7
218.10927	1.0
219.09950	0.9
219.11755	2.1
220.08792	0.8
220.12428	1.2
221.09679	1.7
221.13309	3.2
222.10428	1.0
223.11188	2.4
225.09074	1.2
225.12744	1.1
227.10675	3.1
229.08400	1.1
229.10318	1.1
229.12202	4.5
230.10945	0.9
231.10129	2.0
231.11795	1.8
231.13878	1.7
232.12497	1.2
233.09740	0.8
233.13245	2.4
234.14035	1.4
235.11359	1.7
235.14894	0.9
239.08635	0.7
239.10764	3.7
241.12325	2.1
242.10950	1.5
242.92804	0.6
243.11696	2.8
243.13907	3.2
244.12529	1.3
245.09627	0.8
245.13284	2.4
245.15417	6.4
246.10419	1.0
246.14076	2.0
247.11180	1.7
247.14937	2.6
248.12224	1.0
248.15306	0.7
249.12782	1.8
249.16397	2.3
251.10582	1.1
251.14418	1.1
255.11795	1.2
256.12558	1.5
257.11505	7.5
258.14005	1.9
259.11081	1.2
259.14841	2.5
260.15698	1.2
261.12772	1.6
261.16589	3.1
262.13699	0.6
263.14328	1.2
263.18011	1.0
264.11551	0.7
265.12308	0.8
267.13959	1.2
268.12393	1.0
270.10718	0.9
270.13998	2.1
271.10919	1.0
271.15118	1.5
272.11948	0.9
273.12436	1.0
273.14731	4.1
274.13574	1.1
275.14642	1.3
275.17978	1.6
277.15897	1.8
279.13889	0.8
280.12595	0.7
283.11142	1.3
283.14664	0.9
285.12848	2.0
285.16345	1.6
286.13553	1.1
287.10870	1.1
287.14331	2.1
289.15869	1.4
291.13797	1.7
291.17203	1.1
297.12762	1.3
298.13693	1.0
299.14337	1.9
300.15167	0.8
301.12396	1.3
301.15872	1.9
302.16531	0.7
303.13736	1.1
303.17264	1.4
304.14651	0.9
305.15414	1.1
306.16037	1.0
313.12247	1.4
313.15930	1.8
315.13919	1.3
315.17413	1.6
317.15356	1.8
317.18979	0.8
319.16925	1.6
323.20123	0.8
325.15634	1.0
325.21640	0.8
327.13721	1.6
328.14740	1.2
329.15286	0.9
330.16232	1.0
331.16840	3.7
333.17993	1.2
334.15503	1.1
335.16623	0.8
335.20200	1.1
341.15112	1.5
343.17023	2.0
345.14789	0.9
345.18555	2.2
347.16522	1.8
349.18332	1.2
351.19669	1.6
355.16980	1.8
359.15817	2.7
361.18085	1.8
363.19495	1.8
371.16251	2.0
373.18085	3.6
375.19763	0.9
377.17218	1.0
381.20154	0.9
385.17920	1.3
387.15582	1.2
387.19849	1.4
389.17471	3.4
391.19089	4.3
399.16071	1.3
401.17838	1.0
403.19208	3.2
405.20670	2.8
407.18146	0.9
409.20114	1.3
415.19006	1.6
417.16794	5.5
419.18195	1.5
421.19913	1.6
423.21927	1.2
433.20038	4.2
435.18030	3.0
447.21848	0.8
451.21109	4.4
453.19141	1.2
455.23880	0.8
463.21210	0.9
465.22873	3.5
469.22202	1.3
473.22897	1.1
483.23810	2.9
511.23798	1.3
519.20233	1.1
525.24963	1.0
529.24762	1.8
537.21283	2.7
543.25568	1.6
553.24615	0.8
555.22186	2.2
565.27759	1.0
611.28888	1.6
685.26819	1.3
703.27429	1.1
705.11334	0.8
724.28143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
53.44808	3.1
55.01857	9.8
55.05514	43.5
57.07066	7.5
58.35466	4.0
61.29208	4.2
67.05512	6.1
69.03425	6.1
69.29719	32.5
70.06605	24.0
71.58736	3.3
72.08154	4.6
74.09734	17.7
79.05499	6.8
81.03407	9.2
81.07036	5.6
83.04987	90.9
86.63847	3.4
88.07642	16.6
91.05496	17.7
91.05939	3.3
93.07030	7.6
95.04977	8.0
95.08607	4.7
101.32183	3.3
102.09193	23.4
103.05490	16.6
105.03380	4.5
105.07019	13.2
105.24529	4.0
107.08601	4.6
115.05427	6.6
117.07001	14.1
119.08585	14.8
124.64332	4.8
128.06174	7.1
128.67262	3.6
129.06976	12.1
131.04945	30.2
131.08546	11.0
132.05287	9.3
133.06477	4.3
133.10117	14.1
142.07793	4.7
143.08559	13.5
145.06467	12.6
145.10094	10.3
147.08067	42.5
149.02350	47.2
149.09634	5.0
155.08493	4.8
156.09344	12.0
157.10123	25.6
159.08057	31.0
159.11694	4.8
161.09659	26.3
163.07544	7.1
163.11172	4.0
169.10110	10.6
170.10876	5.7
171.08060	10.7
171.11707	36.2
172.11963	3.8
173.05936	4.8
173.09639	12.6
175.07590	9.2
180.09225	3.4
181.10127	6.5
183.07994	4.6
183.11726	24.6
185.09604	8.3
185.13245	25.3
187.11147	8.2
193.04950	19.3
195.11682	7.4
197.09662	8.4
197.13266	4.8
198.10275	4.9
199.11119	11.6
200.11922	3.6
205.12015	4.5
207.11852	5.2
209.09637	5.4
209.13176	6.3
211.11122	6.8
213.09076	4.7
213.12724	31.6
215.10764	4.3
217.10085	4.2
221.13245	4.3
223.11145	5.4
229.12244	4.9
231.13857	5.5
237.07530	6.5
241.12311	7.6
243.13794	4.6
245.15399	24.4
256.26358	45.4
261.12573	4.0
273.14789	20.2
275.14432	3.9
282.13602	5.2
285.12796	5.3
287.14084	4.0
297.12677	5.8
299.14386	4.3
300.28958	8.8
301.15860	4.8
315.17484	6.8
327.17334	10.5
341.19055	7.4
345.18594	7.4
357.18542	6.1
359.19949	6.2
361.18109	5.2
385.09018	5.0
387.19531	10.1
389.21451	4.6
390.21655	3.3
391.22833	5.7
401.21036	14.2
403.10184	5.2
419.22198	33.0
429.11560	14.9
437.23340	4.8
461.22958	5.3
473.14352	9.5
479.24173	17.5
507.23715	5.0
539.26361	11.0
543.85864	4.1
621.30243	10.2
639.31110	13.1
702.28839	50.9
702.38281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	12.7
55.05515	51.1
57.07080	6.6
67.05511	11.6
69.03447	7.3
69.07084	6.5
69.17781	30.6
69.18198	8.9
70.06611	17.7
71.97115	4.2
75.44122	3.8
79.05495	11.5
81.03426	10.3
81.07060	11.2
83.04986	84.0
87.04443	7.3
87.88132	4.2
88.07627	15.6
91.05466	29.8
93.07059	15.0
95.04971	15.6
95.08612	14.1
97.06581	5.2
98.21453	8.9
102.09187	7.1
103.05488	25.3
104.07124	10.9
105.07049	28.6
107.04965	9.2
107.08591	15.0
109.06493	12.6
109.10132	5.6
115.05436	11.1
115.34718	3.9
117.07007	20.9
119.04912	4.5
119.08585	35.1
121.06591	6.5
128.06209	9.3
129.06981	23.6
131.04979	37.6
131.08566	25.9
132.05273	4.4
133.06548	6.7
133.10124	31.1
135.08067	10.3
141.07027	5.2
142.07811	10.4
143.08536	24.0
145.06503	18.7
145.10153	24.7
147.08060	100.0
147.11691	5.2
149.02353	34.8
149.09645	8.6
153.06944	5.4
155.08569	10.7
156.09392	19.9
157.10155	40.4
159.08075	40.9
159.11714	12.9
161.06012	5.3
161.09625	47.0
163.07582	26.0
163.11130	4.3
165.07181	4.2
168.09337	4.4
169.10136	16.8
170.10947	12.0
171.08122	18.2
171.11722	54.1
173.06010	8.7
173.09647	34.6
173.13316	5.8
175.07562	13.9
175.11208	9.1
177.09102	4.4
179.10606	5.2
181.10094	10.1
183.11720	32.7
185.09651	24.1
185.13252	59.2
187.07623	5.2
187.11217	16.1
189.09097	7.4
189.12807	5.6
193.04967	17.9
193.10185	8.3
195.11728	10.2
197.09662	9.1
197.13199	9.2
199.11203	34.6
201.09230	7.2
201.12794	6.9
203.10889	4.8
203.14413	5.1
207.11729	4.4
209.09514	5.7
209.13258	7.9
211.11269	12.0
213.12749	60.6
214.13249	4.6
215.10768	4.2
217.12265	5.3
221.13223	10.2
223.11168	4.9
223.14816	5.3
224.11603	3.6
225.12662	6.0
227.10652	5.1
229.12373	8.7
231.09947	5.5
231.11874	5.5
231.13835	10.6
233.15382	4.7
235.11177	4.3
237.07477	5.3
237.12796	11.1
239.10640	6.5
239.14401	4.5
241.09988	4.6
241.12244	12.1
243.13747	5.8
245.15350	37.2
247.11111	4.3
249.12770	7.7
251.14302	5.1
254.10793	3.8
255.13806	12.1
256.26431	31.1
258.10388	4.2
259.13202	23.2
263.14172	6.6
263.16650	8.4
273.12418	4.7
273.14941	24.8
277.12222	4.0
283.14832	4.9
285.12726	6.5
285.16348	4.1
286.13458	4.3
287.14307	7.5
289.15967	4.2
291.16153	19.1
297.12744	6.4
298.13785	4.5
301.15842	7.8
303.17517	5.5
312.15030	8.7
313.15811	5.9
315.13983	4.8
315.17261	8.7
317.19009	10.7
323.16431	5.6
326.16757	5.3
327.13956	4.9
327.17474	12.9
328.18188	5.0
329.15335	4.8
329.19003	6.6
331.20609	4.1
341.18985	14.2
345.18369	9.8
351.15762	4.9
357.18484	4.4
359.20071	15.2
363.19650	4.6
375.19290	6.0
377.21124	5.9
385.09158	6.3
387.19586	16.6
389.21036	7.2
391.22549	6.5
401.21198	33.2
403.10190	7.6
405.20505	16.6
419.22220	66.9
429.11816	12.8
437.23334	65.9
465.22812	24.9
473.14551	4.2
479.24628	24.2
497.25381	34.5
537.28583	4.3
565.27686	6.3
579.29462	9.8
597.30597	43.6
702.38507	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01875	5.2
55.05503	4.6
57.03427	0.8
57.07072	0.9
65.03944	0.8
66.23460	0.8
67.05489	1.6
68.66734	0.8
69.03414	1.2
69.07072	0.9
69.46200	2.1
69.46616	4.5
71.94273	0.8
75.45399	0.7
77.03927	1.3
79.05494	2.4
81.03416	4.3
81.07073	2.0
83.04986	9.3
91.05495	7.6
93.07027	2.0
95.04968	4.0
95.08596	1.6
98.18781	0.9
103.05476	54.9
105.04502	1.0
105.07052	6.2
107.04951	1.5
107.08585	1.9
109.06512	0.9
115.05457	2.3
117.07029	4.7
119.08585	6.5
121.06492	1.2
125.01330	0.9
128.06218	2.1
129.07008	6.1
130.07748	1.4
131.04936	100.0
131.08580	6.0
133.06483	0.9
133.10138	8.6
135.08061	2.0
141.06987	1.0
142.07774	2.1
143.08528	5.0
145.06480	4.6
145.10130	3.8
147.08063	20.6
149.09598	2.6
153.07043	1.1
155.08553	2.8
156.09348	3.7
157.10139	7.7
159.08055	10.7
159.11678	3.8
161.09642	11.6
163.07550	9.5
163.11145	1.7
165.06967	1.8
167.08524	1.3
169.10132	3.8
170.10832	2.3
171.08032	2.2
171.11707	14.4
173.06100	1.8
173.09608	7.2
173.13289	1.0
175.07567	2.5
175.11174	1.8
181.10117	1.5
183.11685	8.6
184.08803	1.0
185.09622	4.5
185.13274	13.7
187.07507	0.9
187.11198	2.2
193.10193	1.5
195.11620	1.9
197.09625	2.8
197.13304	4.4
199.11174	6.7
201.09084	2.6
201.12744	2.1
205.12167	1.0
206.10788	1.2
207.11690	1.6
209.09650	2.2
211.11238	2.0
213.09114	1.9
213.12767	9.5
215.10674	1.3
215.14232	0.9
217.12288	1.2
219.11673	1.0
223.11182	1.5
227.10599	1.4
229.12280	2.0
231.13748	3.4
241.12263	4.5
243.11636	1.0
243.13757	2.0
244.12418	1.7
245.15477	6.5
249.12769	1.3
255.13771	2.5
259.13129	4.1
261.12653	1.1
263.16461	1.7
271.04639	0.9
273.12473	0.9
273.14893	9.2
277.15906	1.2
283.14972	1.5
287.14569	1.4
291.15952	2.1
297.12759	2.1
301.15909	1.2
312.15012	0.9
315.17343	1.3
317.18939	1.8
326.16681	1.1
327.17435	4.2
329.18945	1.3
341.19034	3.1
345.18436	2.3
359.20020	2.7
369.18747	1.6
387.19501	6.3
389.21085	2.1
391.22714	3.1
401.21158	9.4
405.20526	2.5
407.22079	1.6
419.22241	19.7
437.23361	9.3
505.25653	1.5
519.27258	2.6
537.28271	3.7
567.27252	1.1
653.30670	1.9
667.32385	2.0
685.33331	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	702.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25997	2.8
53.03954	5.6
55.01849	4.0
55.05499	14.0
59.99933	3.1
67.05505	10.0
68.05010	3.3
69.03432	15.5
69.07064	5.4
70.06595	24.9
79.05496	16.7
81.07051	17.2
82.02944	13.5
83.01356	3.4
83.04983	23.8
85.02921	4.1
86.06077	22.9
87.04475	12.0
91.05479	24.4
93.07082	15.0
93.07558	3.2
94.06572	4.3
95.04961	12.6
95.08596	13.0
98.06065	75.0
103.05476	47.9
105.03407	8.1
105.07046	30.6
107.04951	8.9
107.08597	14.1
109.06530	10.1
115.04758	3.3
115.05437	15.8
116.06194	3.1
117.07035	51.2
119.04990	4.6
119.08598	33.6
121.06490	7.4
121.10166	5.1
122.06048	13.3
123.08104	6.1
124.07575	8.6
126.05483	6.1
128.06230	13.8
129.07021	22.9
131.04938	100.0
131.08594	26.4
133.06485	10.7
133.10144	20.7
135.08057	7.9
141.07016	7.3
142.07840	7.3
143.04918	4.2
143.08574	28.9
145.06496	24.6
145.10144	23.6
147.08047	14.1
147.11716	4.5
149.05963	5.4
149.09613	12.6
150.05550	20.5
152.07089	4.2
153.06985	4.7
154.70235	3.6
155.08539	12.8
156.09360	16.5
157.06523	4.8
157.10138	45.0
159.08099	22.3
159.11703	33.6
161.05983	9.2
161.09619	13.5
165.07077	6.0
166.07771	4.1
167.08572	13.7
168.06639	18.7
169.10133	29.4
170.10870	8.3
171.08040	12.0
171.11717	43.4
173.05991	4.3
173.09631	24.3
173.13260	12.7
175.07578	3.8
175.11234	3.8
177.09158	7.8
179.08504	6.9
180.09267	3.9
181.10153	8.6
183.08110	7.1
183.11708	89.3
184.12451	3.6
185.09706	15.4
185.13260	28.9
187.07558	5.4
187.11206	19.7
188.10732	7.2
189.09209	4.5
189.12686	5.0
193.10107	13.0
194.10896	5.0
195.08055	7.3
195.11684	12.2
197.09627	16.7
197.13254	11.7
199.07529	6.8
199.11205	18.5
200.10670	9.8
201.09204	3.5
201.12756	15.6
202.12201	21.9
203.10693	4.7
205.10188	5.4
205.12151	3.9
206.10863	7.2
207.11679	16.8
208.12485	7.1
209.09697	6.8
209.13228	7.7
211.11223	22.4
213.09099	6.6
213.12720	29.9
214.12332	6.9
215.10606	4.1
217.10158	9.3
217.12166	6.9
218.10950	3.5
219.11716	10.7
220.12657	4.3
221.09615	3.3
221.13324	12.1
223.11140	6.8
225.09102	4.4
225.12799	6.1
227.10612	5.1
228.10301	5.5
229.10205	4.7
229.12263	12.3
230.11780	26.6
231.11678	10.9
231.13869	9.5
232.12466	11.3
233.13145	13.0
233.15405	8.8
234.11137	4.6
234.13954	4.2
235.11235	7.6
235.14778	10.8
237.12799	7.4
237.16321	4.5
239.10721	3.7
241.12224	5.7
242.11719	5.9
243.11714	6.9
243.13876	9.0
244.12605	7.4
245.13271	10.9
245.15486	7.8
246.11418	5.7
246.14040	11.1
247.11183	4.8
247.14902	23.6
248.12811	44.6
248.15289	4.6
249.12801	10.4
249.16353	7.2
251.14467	4.0
256.12695	4.9
257.13269	12.4
258.11359	4.8
258.14258	3.4
259.11032	7.9
259.14886	9.0
260.12366	6.2
260.15613	6.1
261.12668	8.8
261.16702	16.6
263.14316	6.8
265.15945	4.8
269.13489	7.3
270.13983	7.8
271.14850	12.9
272.12259	5.0
272.15570	4.4
273.12393	4.7
273.14960	10.7
274.10803	5.2
274.13763	5.7
275.14307	13.1
275.17761	4.7
277.12238	4.1
277.15875	7.7
281.15445	3.4
283.14603	4.2
284.15536	4.4
285.12619	5.6
285.16373	13.5
287.14288	6.6
287.17755	9.0
289.15781	11.0
289.54553	3.8
291.17456	4.6
293.15350	4.0
297.12546	4.8
298.14059	10.0
299.14352	6.4
299.17950	9.1
301.15775	7.8
303.14066	4.0
303.17502	9.5
309.16287	3.3
313.12488	4.6
313.15900	5.5
319.17029	4.5
321.18384	6.2
327.17410	11.1
331.16901	7.7
345.18542	5.6
355.16849	9.3
363.19281	3.5
369.20703	19.8
373.17792	9.5
387.19315	4.8
391.18927	9.2
409.19922	9.4
416.22168	13.7
419.18472	4.8
421.19843	3.5
423.21506	3.6
427.21259	9.5
430.23773	7.0
432.21457	3.8
433.20056	4.1
440.22180	12.9
441.22595	3.7
444.21518	9.0
451.21216	10.6
455.20831	4.0
458.23361	30.6
460.25287	3.7
468.21796	6.5
469.22110	10.2
472.24640	3.3
473.21283	3.3
476.24533	15.9
486.22797	19.3
487.23248	24.3
490.26117	15.0
494.25272	7.1
500.24185	6.6
504.23843	25.7
505.24658	5.2
508.26862	6.2
518.25616	19.5
519.25903	7.5
522.24713	14.0
536.26636	31.4
540.26288	4.6
554.27472	21.3
564.25702	3.7
582.26581	7.4
592.28937	9.5
593.28485	4.3
600.27832	8.9
624.31506	10.5
639.31195	7.9
642.32056	7.5
653.29144	6.5
670.32068	14.9
684.33344	9.1
702.35583	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	702.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25997	2.8
53.03954	5.6
55.01849	4.0
55.05499	14.0
59.99933	3.1
67.05505	10.0
68.05010	3.3
69.03432	15.5
69.07064	5.4
70.06595	24.9
79.05496	16.7
81.07051	17.2
82.02944	13.5
83.01356	3.4
83.04983	23.8
85.02921	4.1
86.06077	22.9
87.04475	12.0
91.05479	24.4
93.07082	15.0
93.07558	3.2
94.06572	4.3
95.04961	12.6
95.08596	13.0
98.06065	75.0
103.05476	47.9
105.03407	8.1
105.07046	30.6
107.04951	8.9
107.08597	14.1
109.06530	10.1
115.04758	3.3
115.05437	15.8
116.06194	3.1
117.07035	51.2
119.04990	4.6
119.08598	33.6
121.06490	7.4
121.10166	5.1
122.06048	13.3
123.08104	6.1
124.07575	8.6
126.05483	6.1
128.06230	13.8
129.07021	22.9
131.04938	100.0
131.08594	26.4
133.06485	10.7
133.10144	20.7
135.08057	7.9
141.07016	7.3
142.07840	7.3
143.04918	4.2
143.08574	28.9
145.06496	24.6
145.10144	23.6
147.08047	14.1
147.11716	4.5
149.05963	5.4
149.09613	12.6
150.05550	20.5
152.07089	4.2
153.06985	4.7
154.70235	3.6
155.08539	12.8
156.09360	16.5
157.06523	4.8
157.10138	45.0
159.08099	22.3
159.11703	33.6
161.05983	9.2
161.09619	13.5
165.07077	6.0
166.07771	4.1
167.08572	13.7
168.06639	18.7
169.10133	29.4
170.10870	8.3
171.08040	12.0
171.11717	43.4
173.05991	4.3
173.09631	24.3
173.13260	12.7
175.07578	3.8
175.11234	3.8
177.09158	7.8
179.08504	6.9
180.09267	3.9
181.10153	8.6
183.08110	7.1
183.11708	89.3
184.12451	3.6
185.09706	15.4
185.13260	28.9
187.07558	5.4
187.11206	19.7
188.10732	7.2
189.09209	4.5
189.12686	5.0
193.10107	13.0
194.10896	5.0
195.08055	7.3
195.11684	12.2
197.09627	16.7
197.13254	11.7
199.07529	6.8
199.11205	18.5
200.10670	9.8
201.09204	3.5
201.12756	15.6
202.12201	21.9
203.10693	4.7
205.10188	5.4
205.12151	3.9
206.10863	7.2
207.11679	16.8
208.12485	7.1
209.09697	6.8
209.13228	7.7
211.11223	22.4
213.09099	6.6
213.12720	29.9
214.12332	6.9
215.10606	4.1
217.10158	9.3
217.12166	6.9
218.10950	3.5
219.11716	10.7
220.12657	4.3
221.09615	3.3
221.13324	12.1
223.11140	6.8
225.09102	4.4
225.12799	6.1
227.10612	5.1
228.10301	5.5
229.10205	4.7
229.12263	12.3
230.11780	26.6
231.11678	10.9
231.13869	9.5
232.12466	11.3
233.13145	13.0
233.15405	8.8
234.11137	4.6
234.13954	4.2
235.11235	7.6
235.14778	10.8
237.12799	7.4
237.16321	4.5
239.10721	3.7
241.12224	5.7
242.11719	5.9
243.11714	6.9
243.13876	9.0
244.12605	7.4
245.13271	10.9
245.15486	7.8
246.11418	5.7
246.14040	11.1
247.11183	4.8
247.14902	23.6
248.12811	44.6
248.15289	4.6
249.12801	10.4
249.16353	7.2
251.14467	4.0
256.12695	4.9
257.13269	12.4
258.11359	4.8
258.14258	3.4
259.11032	7.9
259.14886	9.0
260.12366	6.2
260.15613	6.1
261.12668	8.8
261.16702	16.6
263.14316	6.8
265.15945	4.8
269.13489	7.3
270.13983	7.8
271.14850	12.9
272.12259	5.0
272.15570	4.4
273.12393	4.7
273.14960	10.7
274.10803	5.2
274.13763	5.7
275.14307	13.1
275.17761	4.7
277.12238	4.1
277.15875	7.7
281.15445	3.4
283.14603	4.2
284.15536	4.4
285.12619	5.6
285.16373	13.5
287.14288	6.6
287.17755	9.0
289.15781	11.0
289.54553	3.8
291.17456	4.6
293.15350	4.0
297.12546	4.8
298.14059	10.0
299.14352	6.4
299.17950	9.1
301.15775	7.8
303.14066	4.0
303.17502	9.5
309.16287	3.3
313.12488	4.6
313.15900	5.5
319.17029	4.5
321.18384	6.2
327.17410	11.1
331.16901	7.7
345.18542	5.6
355.16849	9.3
363.19281	3.5
369.20703	19.8
373.17792	9.5
387.19315	4.8
391.18927	9.2
409.19922	9.4
416.22168	13.7
419.18472	4.8
421.19843	3.5
423.21506	3.6
427.21259	9.5
430.23773	7.0
432.21457	3.8
433.20056	4.1
440.22180	12.9
441.22595	3.7
444.21518	9.0
451.21216	10.6
455.20831	4.0
458.23361	30.6
460.25287	3.7
468.21796	6.5
469.22110	10.2
472.24640	3.3
473.21283	3.3
476.24533	15.9
486.22797	19.3
487.23248	24.3
490.26117	15.0
494.25272	7.1
500.24185	6.6
504.23843	25.7
505.24658	5.2
508.26862	6.2
518.25616	19.5
519.25903	7.5
522.24713	14.0
536.26636	31.4
540.26288	4.6
554.27472	21.3
564.25702	3.7
582.26581	7.4
592.28937	9.5
593.28485	4.3
600.27832	8.9
624.31506	10.5
639.31195	7.9
642.32056	7.5
653.29144	6.5
670.32068	14.9
684.33344	9.1
702.35583	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	702.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
55.01868	5.3
55.05497	12.0
58.75144	3.0
67.05492	8.1
69.03412	12.3
69.27544	25.0
69.97660	3.1
70.06601	18.2
79.05486	11.7
81.03413	3.5
81.07064	17.1
81.07459	3.0
82.02941	14.2
83.01332	4.5
83.04999	18.0
86.06075	19.2
87.04454	10.8
91.05477	21.3
93.07026	13.8
95.04953	10.8
95.08588	10.0
97.06528	5.6
98.06065	65.2
103.05476	43.9
105.03393	6.2
105.07040	27.5
107.04955	6.2
107.08604	17.3
107.09187	3.2
109.02837	3.0
109.06483	4.9
109.10159	3.4
111.04391	4.7
115.05424	9.4
116.06111	4.2
117.07013	46.9
119.04934	5.2
119.08586	32.7
121.06506	8.2
121.10123	7.2
122.06023	12.7
123.08117	3.0
124.07561	10.2
126.05518	3.5
128.06201	5.2
129.07028	14.3
129.95425	2.7
130.07823	4.2
131.04929	100.0
131.08586	29.1
133.06468	8.9
133.10104	13.8
135.08044	9.0
141.06998	4.5
142.07747	8.7
143.08536	21.0
145.06511	16.6
145.10126	19.5
147.08041	20.0
149.09616	7.2
150.05499	16.0
155.08531	16.7
156.09338	10.5
157.06532	7.9
157.10141	35.9
159.08049	16.0
159.11702	28.5
161.05969	8.5
161.09572	9.8
163.07555	4.9
165.06964	3.7
167.08539	12.3
168.06638	15.0
168.09354	6.8
169.10144	25.7
170.10934	7.6
171.08058	9.9
171.11711	37.6
172.08878	3.9
173.05988	5.1
173.09621	19.6
173.13228	8.6
175.07521	3.3
175.11203	3.6
177.09102	4.6
178.06038	3.3
179.08606	4.4
181.10098	11.7
183.08086	6.9
183.11694	76.1
185.09618	13.6
185.13240	20.7
186.09103	4.1
187.11270	14.8
188.10652	3.9
191.10645	4.3
192.09280	3.8
193.08598	3.4
193.10129	7.2
195.08087	3.5
195.11674	9.5
197.09589	13.2
197.13161	4.7
199.07570	3.5
199.11200	22.9
200.10696	8.9
201.09125	3.6
201.12804	15.3
202.12308	15.3
203.10493	3.1
205.10216	7.4
205.12111	4.7
206.11058	3.8
207.11633	15.4
209.09610	6.3
209.13199	8.0
211.11224	17.8
213.09232	3.8
213.12740	28.7
214.12177	5.2
215.08708	3.8
215.10728	7.4
217.08472	4.5
217.10301	5.6
217.12164	5.9
219.11641	8.6
220.12440	5.7
221.13228	12.7
223.11145	6.3
223.14717	7.6
225.12810	6.9
227.10686	5.7
228.10016	3.8
228.13832	3.4
229.10170	4.8
229.12227	7.4
230.11859	19.8
231.11646	8.7
231.13786	6.2
232.12454	9.0
233.09570	4.0
233.13275	8.3
233.15372	5.2
235.11191	5.2
235.14748	7.0
237.12685	4.6
239.10606	4.7
239.14278	3.5
242.11778	5.0
243.11543	8.5
243.13863	8.8
244.12476	4.6
245.13229	8.1
245.15462	8.2
246.11270	9.0
246.14001	6.6
247.11229	5.7
247.14888	24.8
248.12874	38.0
249.12799	7.4
249.16319	10.7
251.14270	5.3
255.11568	5.5
255.13928	4.5
256.12494	5.3
257.13266	7.2
258.11404	6.0
258.14044	4.7
259.11102	3.8
259.14850	8.8
260.12701	8.3
260.15469	4.5
261.12589	4.8
261.16364	11.1
263.14252	7.0
264.11856	3.2
265.15887	6.2
269.13013	4.7
270.13992	3.5
271.14996	5.3
273.14932	6.4
274.10834	6.9
274.13644	6.1
275.14215	8.9
275.17902	3.7
277.12106	3.5
279.17542	3.9
280.13168	5.0
281.15485	4.8
285.12994	3.6
285.16388	13.0
289.15735	11.0
297.12610	5.5
298.14163	5.0
299.14346	4.7
299.17725	4.8
300.15268	3.4
301.15717	4.4
302.13544	3.4
303.17212	5.1
305.15311	5.7
307.16898	5.7
309.16074	4.3
313.15726	3.8
315.17322	4.8
317.15271	5.0
319.17123	4.8
321.18570	4.4
323.20395	4.1
327.17355	14.3
329.15186	5.3
331.16925	5.1
345.18478	5.9
349.17972	6.2
355.16849	12.4
361.17673	4.3
369.20593	28.5
373.17783	6.6
387.19638	6.8
391.18915	10.6
398.20786	3.9
401.17505	4.0
405.20599	7.2
409.20114	8.1
412.22794	3.9
416.21808	9.3
421.19684	4.1
423.21454	6.3
426.20596	3.7
427.20929	6.4
430.23816	9.4
437.19397	5.3
440.22034	15.3
441.22568	4.2
451.21240	14.3
458.23328	25.7
468.21622	4.7
469.22400	10.9
472.24780	4.6
476.24734	14.4
483.23740	5.7
486.22754	17.2
487.23315	27.2
490.26260	15.6
494.25055	5.4
500.24222	4.4
504.23761	28.6
505.24020	8.0
518.25452	21.2
519.25854	10.9
522.24677	13.0
536.26361	28.3
540.26257	4.5
554.27667	19.9
582.26886	8.9
592.28790	11.1
600.27020	4.1
606.30316	4.2
617.26581	4.3
621.26697	4.3
624.31842	7.0
635.27362	5.0
639.30695	8.1
642.32178	8.9
670.31378	9.1
684.34058	15.7
702.34985	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	701.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	2.3
53.03942	7.0
55.01874	3.3
55.05266	3.2
55.05513	54.8
57.07069	4.7
65.03942	2.6
67.05513	10.9
69.03422	8.6
69.07063	4.5
69.88519	12.2
74.09710	2.5
79.05489	16.7
81.03409	10.0
81.07053	9.9
83.04988	85.5
85.02906	3.9
91.05479	31.6
93.07054	19.6
95.04979	15.6
95.08603	9.2
95.40028	2.3
97.06547	3.4
98.20761	3.1
103.05473	49.4
105.03387	15.9
105.07030	36.5
107.04942	6.2
107.08587	10.2
109.06519	15.6
109.10183	3.8
110.67941	2.2
111.04460	2.5
115.05505	12.2
117.07008	23.0
119.04918	5.7
119.08588	34.4
121.06495	9.8
121.10139	5.6
123.04404	3.5
123.08056	7.3
124.06725	2.7
128.06195	12.5
129.07008	13.3
130.07770	4.3
131.04929	97.5
131.08568	27.1
133.06494	12.5
133.10136	27.4
135.08049	13.0
137.05992	10.8
137.09596	2.6
141.06975	7.0
142.07771	10.4
143.08553	27.3
144.52512	2.3
145.06528	16.1
145.10135	28.2
147.08055	18.4
147.11700	7.5
149.05966	6.9
149.09637	7.9
151.07579	2.9
153.05585	2.8
153.06987	3.6
154.07805	3.1
155.08531	14.8
156.09343	13.0
157.06448	4.2
157.10138	34.4
158.07246	3.9
159.08092	23.2
159.11697	10.0
160.08755	3.4
161.05925	13.2
161.09624	19.1
163.07523	16.7
163.11201	9.1
165.07004	6.4
166.07713	3.7
167.08574	8.5
168.09293	2.8
169.06412	2.2
169.10146	19.5
170.07175	2.5
170.10954	14.5
171.08038	26.0
171.11702	38.5
173.09627	25.3
173.13353	3.0
175.07539	7.9
175.11237	5.8
177.09131	9.3
179.08545	6.4
180.09238	4.1
181.10075	14.0
182.10796	2.7
183.08072	9.6
183.11687	41.9
184.08870	6.9
184.12340	3.8
185.09671	18.7
185.13245	26.3
186.10274	2.8
187.07613	6.8
187.11186	11.9
189.09128	17.5
191.07005	3.3
191.10715	2.6
192.09348	4.3
193.08565	3.2
193.10144	7.7
194.10931	2.7
195.08109	5.2
195.10075	2.3
195.11702	10.4
196.08652	2.9
197.09627	18.8
197.13277	10.1
198.10440	8.0
199.07529	7.2
199.11163	27.4
200.11906	7.7
201.09117	11.2
201.12746	6.7
203.06964	2.9
203.10600	4.1
204.09265	2.7
205.08609	6.1
205.10332	3.6
205.12215	5.2
206.10854	4.7
207.11731	14.3
208.12419	5.1
209.09642	7.7
209.13261	5.4
211.07568	4.6
211.11197	28.0
211.14909	3.4
213.09258	4.8
213.12746	100.0
215.10757	4.9
215.14253	4.7
216.09492	3.0
217.08618	8.0
217.12192	4.7
218.10811	3.3
219.11740	5.5
220.12411	7.6
221.09656	3.7
221.13281	13.6
222.14003	3.7
223.11226	9.0
223.14789	5.6
225.09090	3.8
225.12646	8.1
227.10661	7.4
229.08405	4.5
229.10362	2.9
229.12225	7.5
230.10915	4.6
231.09882	12.2
231.13818	5.7
232.12473	3.9
233.09648	4.1
233.13324	7.0
234.14012	5.0
235.11261	5.5
235.14743	8.5
236.11847	3.0
237.09076	3.6
237.12816	5.8
237.16382	2.7
239.10704	4.5
241.12242	9.7
243.11804	3.8
243.13860	5.3
244.12465	5.7
245.07982	3.4
245.13208	7.1
245.15520	8.1
246.14000	5.0
247.11232	3.4
247.14815	8.5
249.10941	3.7
249.13069	5.4
249.16370	7.3
251.10765	3.0
251.14273	8.9
251.17874	3.2
253.12372	3.7
255.11595	5.0
255.13905	3.6
256.12497	3.8
257.13153	7.8
257.15579	4.8
258.13968	6.6
259.11038	5.4
259.15091	4.7
260.11978	3.0
261.12704	6.5
261.16437	4.8
263.14316	6.9
265.12256	2.7
265.15848	5.2
267.13977	3.6
269.13031	4.7
270.14044	4.5
271.13126	5.5
272.15671	4.7
273.14847	59.1
275.14554	5.1
275.17786	5.0
277.12363	3.8
277.15851	7.9
283.10925	2.3
283.14954	3.8
284.11990	2.8
285.12622	4.1
286.13458	3.9
287.14227	3.4
287.17902	3.3
288.15131	4.6
289.15799	6.2
290.16382	2.6
291.14011	4.1
291.17239	5.1
293.15347	4.4
298.13474	3.3
299.14221	5.0
300.14984	2.8
301.15799	8.3
302.16742	2.9
303.13892	3.6
303.17374	4.1
307.16711	4.7
309.18472	3.2
313.15903	6.4
315.13873	5.4
315.17368	9.1
317.15311	4.0
319.16916	5.3
327.13824	3.4
328.14694	2.7
329.15118	4.8
331.16852	10.2
333.18402	6.5
337.17957	6.2
343.16895	10.5
345.18469	5.7
347.16171	3.0
349.17892	5.5
357.18506	5.9
359.16309	7.7
361.17993	13.2
363.19403	3.7
369.20450	6.2
371.16531	3.5
373.18091	4.0
374.18771	2.8
375.19434	7.3
377.17352	3.7
379.26089	3.2
387.19861	4.0
389.17261	5.6
389.21594	2.8
391.18881	11.2
393.20703	3.4
395.18567	4.7
401.17426	8.3
402.18112	2.7
403.18945	5.8
405.20605	6.4
409.20078	10.3
416.19794	3.0
417.20795	6.3
419.18500	17.7
420.19073	2.9
421.19452	3.7
423.21881	4.7
431.17975	3.2
433.19894	5.8
434.20737	4.7
435.21735	20.2
437.19562	6.9
439.20743	5.1
441.22849	4.0
449.23602	2.8
451.20581	13.5
461.23209	2.5
467.24246	5.7
469.22217	21.9
483.23486	3.4
501.24860	36.8
502.25388	2.7
535.26807	5.4
539.21576	5.6
569.27112	3.9
601.29663	10.2
635.32208	12.9
640.24274	3.3
641.24762	46.2
667.34546	9.6
701.26154	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	701.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
55.01874	8.1
55.05269	3.3
55.05518	53.8
59.26324	1.7
59.71778	1.3
67.05493	2.9
69.03439	5.7
69.76386	9.9
79.05495	5.6
80.74187	1.6
81.03419	8.2
81.07069	4.6
83.04990	100.0
91.05492	24.6
93.07056	7.2
95.04971	11.3
95.08600	2.5
98.20746	1.8
103.05479	28.8
105.02715	2.8
105.03400	45.0
105.04466	2.6
105.07034	15.6
107.04957	4.7
107.08607	4.9
109.06506	3.5
115.05441	9.0
116.07043	1.9
117.07024	17.8
119.08584	21.0
121.06483	3.2
121.10172	4.3
128.06242	6.9
129.07018	15.8
131.04942	57.6
131.08588	13.6
133.10120	16.0
135.08060	3.2
141.06996	4.7
142.07762	9.7
143.08577	15.9
145.06502	14.0
145.10149	13.3
147.08069	62.1
147.09232	3.2
149.09599	3.7
153.06947	2.7
155.06050	3.1
155.08560	6.8
156.09360	13.6
157.06566	4.0
157.10147	28.4
158.07274	3.0
159.08075	34.5
159.11681	2.8
161.09648	33.2
163.07550	17.1
163.11151	3.0
165.07030	2.8
166.07860	2.4
167.08571	3.8
168.09430	3.0
169.06421	1.6
169.10132	9.0
170.07285	2.0
170.10944	7.3
171.08101	10.0
171.11713	47.5
172.08829	2.4
173.05989	5.6
173.09608	21.1
175.07567	11.7
175.11180	2.0
179.08560	2.5
180.09334	3.2
181.10159	4.8
183.08084	4.4
183.11711	22.4
184.08824	3.3
185.09627	12.0
185.13271	34.2
187.07518	4.1
187.11261	5.1
189.09129	2.5
191.10765	3.1
192.09450	2.3
193.10159	5.0
195.11699	8.8
197.09615	6.7
197.13287	6.5
198.10495	1.9
198.65306	2.0
199.11188	18.9
200.11885	1.7
201.09135	2.5
201.12839	1.9
203.10522	2.2
207.11763	5.2
209.09622	3.6
209.13336	4.3
211.11223	7.3
213.09224	3.0
213.12775	29.7
213.14777	2.3
215.10675	3.6
215.14221	1.8
217.12231	4.1
219.11755	1.8
221.09625	1.8
221.13226	3.8
223.11221	4.6
223.14789	2.1
225.12791	1.9
227.10684	2.8
229.12274	6.2
230.10904	2.4
231.09862	2.4
231.11877	2.9
231.13741	9.8
233.13263	4.7
235.11197	3.7
235.14862	2.8
237.12820	4.3
239.10641	3.2
241.10078	1.7
241.12271	8.8
243.11722	2.9
243.13904	4.2
244.12547	2.7
245.13336	2.5
245.15417	21.8
247.11246	3.2
249.12741	3.5
251.14381	2.9
253.00584	1.7
255.13931	4.7
256.12497	1.9
257.13293	2.7
259.10999	2.9
259.13138	9.7
260.11884	1.7
261.12735	2.7
263.14233	1.9
267.11646	1.9
268.12595	3.7
269.13235	5.0
271.11057	2.4
272.12051	2.3
273.12445	1.9
273.14874	17.9
275.14346	3.8
281.13086	2.8
283.10980	2.6
284.11935	3.0
285.12689	6.0
286.13440	2.4
287.14404	5.0
289.12100	2.7
289.15649	2.4
297.12741	6.1
298.13455	2.2
299.10809	2.6
299.14322	5.2
300.15036	2.7
301.15860	5.4
303.17197	2.2
311.14392	5.2
312.15134	5.7
313.15741	4.8
315.13928	3.2
315.17508	6.0
317.15659	2.4
317.18967	8.1
326.16742	3.8
327.13916	3.8
327.17279	11.9
328.14410	2.8
328.17978	2.9
329.15286	6.6
329.19019	5.2
331.16888	2.4
331.20618	2.6
341.18948	11.2
342.15985	2.2
343.16959	2.7
345.18597	6.3
347.16583	2.9
357.18649	7.8
359.20004	12.0
361.18103	2.6
369.18631	14.3
375.19800	1.7
377.20944	4.2
387.19571	25.3
389.21225	6.2
391.22659	6.2
401.21146	18.2
405.20471	8.7
419.22205	26.9
419.27203	3.4
437.23102	2.5
447.21631	6.5
461.23099	4.4
465.22968	3.7
479.24557	8.9
541.25616	2.4
553.76874	1.9
587.26270	3.1
601.27875	5.5
659.94299	1.9
669.29578	4.7
675.42987	2.5
683.31909	6.4
701.38623	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	701.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.3
53.03949	6.2
53.06116	0.6
55.01875	8.2
55.05515	23.4
58.18166	0.8
58.71159	0.7
61.26480	0.6
67.05493	2.1
69.03432	1.3
69.07084	1.5
69.22301	7.0
77.03928	1.0
79.05498	3.5
81.03419	3.8
81.07053	2.6
83.04984	31.3
91.05486	15.2
93.07073	4.4
95.04974	11.4
95.08605	1.6
98.20686	1.8
103.05476	2.5
105.03395	100.0
105.04540	3.7
105.07022	11.2
106.03731	0.7
107.04954	2.3
107.08609	3.2
109.06493	2.3
109.10175	1.1
115.05441	5.3
116.06241	1.6
117.07014	9.0
119.04910	0.9
119.08585	13.0
121.06469	1.8
121.10170	2.1
128.06209	4.4
129.07008	11.7
130.07785	1.6
131.04948	2.6
131.08571	8.7
133.06516	1.8
133.10130	10.0
135.08070	2.6
141.07001	3.3
142.07770	5.3
143.08562	9.7
144.05695	1.7
144.09355	0.9
145.06480	7.8
145.10107	8.2
146.07211	1.0
147.08051	33.6
147.11729	0.9
149.09651	3.7
153.06995	1.7
154.07805	1.1
155.08533	5.6
156.09366	7.8
157.06493	1.0
157.10135	17.8
158.07272	1.9
159.08063	25.3
159.11650	4.0
161.05870	0.9
161.09622	22.7
163.07558	3.0
163.11223	2.7
165.07036	2.7
165.63174	0.7
166.07767	1.4
167.08563	1.9
168.09238	0.8
169.10135	7.6
170.10918	4.0
171.08076	7.1
171.11697	25.8
172.08833	1.2
173.05980	3.5
173.09624	13.6
175.07550	6.7
175.11192	1.7
179.08540	1.9
179.10785	1.1
180.09308	1.6
181.10117	3.6
182.10909	0.9
183.08124	2.3
183.11705	13.6
184.08899	1.9
185.09663	9.2
185.13255	20.4
187.07516	1.9
187.11183	4.1
189.09174	1.6
191.10715	1.0
193.10146	2.0
195.08089	1.1
195.11646	5.2
197.09679	4.9
197.13304	4.1
198.10387	3.0
199.11208	11.7
200.11874	1.1
201.09109	1.5
201.12727	1.9
204.09401	1.0
205.10188	1.5
205.12231	1.5
206.10904	1.9
207.11719	4.0
209.09581	1.9
209.13335	1.3
211.11143	3.6
213.09196	2.0
213.12733	17.9
215.10712	3.3
216.09343	1.1
217.10214	2.1
217.12297	1.9
219.11743	2.1
221.09662	1.2
221.13292	2.9
222.10394	1.5
223.11211	3.5
223.14856	1.1
225.09131	1.8
225.12733	1.9
227.10684	1.6
229.10309	1.7
229.12305	2.9
230.10815	2.1
231.09949	1.2
231.11894	1.6
231.13821	4.0
232.08760	1.1
233.09575	2.8
233.13429	1.7
235.11172	1.8
235.14755	1.4
237.12706	3.1
239.10674	3.2
241.10199	1.7
241.12280	4.3
242.10925	1.2
243.11684	2.0
243.13852	3.8
244.12468	3.1
245.09566	1.4
245.13208	1.1
245.15393	16.8
246.14041	0.9
247.11159	1.8
247.15038	1.0
249.12782	2.0
251.10657	1.6
251.14496	1.2
253.09998	0.9
253.12320	1.0
254.10881	1.1
255.13913	4.6
256.12448	1.7
257.13205	2.6
258.14163	1.3
259.11099	1.9
259.13077	3.6
260.11969	1.2
261.12701	2.1
263.10645	1.1
263.14233	1.4
265.12366	1.1
266.10837	0.9
268.12457	1.0
269.09616	1.3
269.13147	1.8
270.10355	1.5
270.14032	2.1
271.11118	1.9
271.14703	0.9
272.11972	1.7
273.12677	1.4
273.14871	13.2
274.13412	1.8
275.14261	2.5
279.09982	1.1
282.10605	1.5
282.13864	1.1
283.11111	1.9
283.14725	2.4
284.12048	1.4
284.15427	1.6
285.12808	3.0
286.13589	1.9
287.14343	3.9
289.12305	1.9
289.15649	1.5
297.12769	4.4
297.15701	1.0
298.13501	2.0
298.16959	1.0
299.10931	1.1
299.14255	3.1
299.17685	1.6
300.15186	1.2
301.15909	4.1
302.16470	1.2
303.13702	1.7
303.17432	1.0
305.17706	0.8
311.14276	3.5
312.15045	3.1
313.12421	1.5
313.15924	3.2
314.16629	0.9
315.14249	1.0
315.17358	4.8
317.15344	1.7
317.18994	4.4
325.12085	1.1
326.16614	2.1
327.13678	2.3
327.17444	9.6
328.18341	1.4
329.15308	4.2
329.18951	2.3
331.20517	1.8
339.13742	1.7
340.14441	1.5
341.19055	9.6
343.16797	1.7
345.18491	5.3
354.16052	1.7
357.18570	5.2
359.20151	5.6
361.17883	3.1
369.18512	14.3
373.20721	0.8
375.19476	1.4
387.19479	16.2
389.21213	4.5
391.22861	5.1
401.21164	16.7
405.20526	1.6
411.21671	0.9
419.22177	20.9
420.22571	0.9
429.20801	1.0
437.22781	1.7
447.21686	4.2
461.23117	3.1
469.23383	0.9
479.24368	9.1
491.22098	1.8
501.26144	0.9
504.34167	1.2
509.23175	0.8
561.27271	1.0
569.24933	2.4
579.29565	2.6
583.26599	1.1
601.27893	1.9
669.29614	2.5
683.32202	3.8
701.34174	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.2
55.01882	10.3
55.05517	63.9
59.40185	1.0
65.03946	1.0
67.05503	5.1
69.03431	2.9
69.07073	3.1
71.19699	1.4
71.20046	1.3
77.03939	1.1
79.05499	4.6
81.03425	8.5
81.07057	5.2
83.04989	100.0
85.06522	1.2
91.05495	20.7
93.07049	7.8
95.04975	9.9
95.08620	2.7
95.38887	1.1
97.06516	1.0
97.26305	1.1
103.05468	4.4
105.03403	47.2
105.04543	3.0
105.07039	14.5
107.04958	4.5
107.08582	5.2
109.06513	2.0
109.10149	1.8
115.05465	8.6
116.06248	2.1
117.07013	14.0
118.41000	1.0
119.04951	1.3
119.08587	18.6
121.06549	2.9
121.10156	1.6
128.06236	7.2
129.07014	13.3
130.07834	2.9
131.04979	3.9
131.08578	15.0
132.05713	1.7
133.06522	3.4
133.10141	15.9
133.65895	1.0
135.04440	1.1
135.08069	2.9
136.38292	1.0
141.07002	3.2
142.07785	7.7
143.08566	16.3
144.05714	2.0
145.06512	10.9
145.10135	14.6
146.07323	2.1
147.08063	49.5
147.11617	1.8
149.09625	4.2
152.06364	1.4
153.06987	3.2
154.07776	1.7
155.08577	5.4
156.09360	12.3
157.06496	2.7
157.10139	27.4
158.07239	2.4
159.08081	30.1
159.11728	5.4
161.09634	31.1
163.07510	6.9
163.11180	3.3
165.07043	3.5
166.07808	1.8
167.08609	4.6
168.09409	2.1
169.10141	11.2
170.07213	1.7
170.10909	5.5
171.08081	9.4
171.11700	40.9
173.06071	2.8
173.09666	16.6
173.13210	1.9
175.07581	9.7
175.11163	2.5
179.08548	2.4
180.09322	3.2
181.10133	5.6
182.10968	1.2
183.08057	3.4
183.11710	16.2
184.08853	3.5
185.06065	1.1
185.09644	15.3
185.13271	33.9
187.07501	1.8
187.11217	4.7
189.09120	2.2
191.10687	2.0
193.10185	4.0
194.11046	1.2
195.08109	1.8
195.11755	6.4
197.09633	8.0
197.13289	7.0
198.10394	3.7
199.07524	2.2
199.11195	15.7
200.12003	1.6
201.09082	1.8
201.12749	3.4
203.08446	1.8
205.10330	1.3
205.12267	2.7
206.10930	1.3
207.11746	4.6
209.09679	3.2
209.13330	3.8
211.11159	5.4
213.09201	2.8
213.12762	33.6
215.08629	1.6
215.10670	4.0
217.10207	2.1
217.12173	1.6
218.10875	1.2
219.11867	1.7
221.13365	3.6
223.11191	5.0
223.14766	1.9
225.12677	2.1
227.10684	1.7
229.12183	6.8
230.10898	2.2
231.10043	2.1
231.11934	2.3
231.13869	3.9
232.12543	1.6
233.09647	1.6
233.13341	3.3
235.11172	3.8
237.12793	3.6
239.10754	3.5
239.14441	1.4
241.10176	1.4
241.12305	7.4
243.11652	3.7
243.13922	6.0
244.12566	3.1
245.09538	2.1
245.13286	2.7
245.15398	24.3
246.10304	1.5
247.11172	2.0
247.14964	1.9
249.12654	1.7
249.16435	1.2
251.14331	2.9
255.13948	5.3
256.12561	2.0
257.09540	1.7
257.13324	2.2
258.10330	1.4
258.14075	2.5
259.11050	1.9
259.12906	5.1
261.12729	3.8
268.12485	2.1
269.09311	1.3
269.13406	5.4
270.13974	2.3
271.11093	3.3
271.14877	1.1
272.12112	2.9
273.12799	1.7
273.14902	21.1
275.14240	2.2
276.11450	1.2
277.12485	1.9
277.16043	1.8
281.12848	1.1
282.13925	1.6
283.11111	2.3
283.14719	2.3
284.11905	2.2
285.12711	5.9
286.13513	3.6
287.14325	6.4
289.12415	1.5
289.15790	2.6
290.12814	1.4
294.14160	1.4
296.12054	2.2
297.12762	5.2
297.15900	1.2
298.13452	2.9
299.10992	1.7
299.14319	5.7
299.17719	2.3
300.15036	2.6
301.15942	5.5
303.17450	1.9
311.14261	4.5
312.11795	1.2
312.15079	4.0
313.12405	2.3
313.15805	4.7
314.16699	2.3
315.13834	1.6
315.17331	5.7
317.18970	5.8
325.12061	1.5
326.16626	2.5
327.13687	2.8
327.17462	11.9
328.14603	1.9
328.18201	1.7
329.15305	9.4
329.19019	4.0
331.16965	2.0
331.20593	3.0
339.13852	3.8
341.18964	9.8
342.15970	2.1
344.18076	1.6
345.18484	8.3
354.16132	2.5
357.18442	9.1
359.20245	9.7
361.17838	3.2
369.18533	16.0
377.21341	1.6
387.19611	20.3
389.21136	7.5
391.22705	8.9
401.21173	19.0
419.22211	28.0
437.23148	1.9
447.21750	5.0
461.23389	2.8
479.24423	11.0
501.26758	1.4
509.23441	1.3
541.25659	1.9
547.27057	1.3
561.27887	1.3
569.26129	1.4
587.26587	2.6
601.27917	6.9
637.25885	1.4
669.28564	3.7
683.32031	7.3
701.32965	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	701.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.7
50.33590	0.7
51.02376	2.2
53.03958	6.5
53.29357	0.6
55.01876	8.4
55.05267	1.3
55.05516	19.9
62.42272	0.7
65.03937	0.6
67.05503	2.9
67.88287	0.7
69.03426	1.5
69.07076	1.7
69.20456	6.9
71.21861	0.7
77.03931	2.0
79.05501	4.2
79.86460	0.8
81.03434	5.0
81.07057	2.2
83.04986	28.1
91.05488	14.5
93.07056	4.1
95.04979	10.6
95.08613	2.0
98.20789	1.4
101.51185	0.7
103.05477	2.4
105.03400	100.0
105.04541	4.1
105.07039	10.0
107.04961	2.6
107.08596	2.6
109.06540	1.4
115.05449	4.9
116.06268	1.2
117.06216	1.0
117.07030	10.6
119.08595	13.1
121.06524	2.4
128.06224	3.9
129.07008	9.5
130.07819	1.6
131.04962	2.4
131.08586	12.2
131.25117	0.7
133.10115	10.0
135.08099	2.6
141.07007	4.0
142.07785	5.3
143.08580	10.3
144.05717	1.2
145.06512	10.1
145.10143	10.2
146.07314	1.7
147.08063	31.6
147.11781	1.3
149.09634	3.1
153.06982	1.2
154.07785	1.4
155.04935	0.7
155.08583	5.8
156.09361	7.6
157.06544	1.5
157.10144	18.3
158.07281	1.6
159.08067	22.4
159.11755	1.9
161.09627	19.6
163.07555	3.3
163.11221	2.9
165.07008	3.3
166.07771	0.8
167.08591	1.8
168.09384	1.5
169.10146	8.8
170.10875	3.7
171.08025	5.9
171.11711	23.4
172.08783	0.8
173.06004	2.2
173.09634	11.5
173.13309	1.0
175.07513	6.2
175.11220	2.4
179.08617	2.2
180.09326	1.4
181.10107	3.5
182.07368	0.9
183.08105	2.4
183.11710	13.4
184.08875	1.6
185.09679	8.7
185.13275	16.9
187.07556	2.2
187.11197	3.4
189.09114	1.4
191.08440	0.9
191.10762	0.9
192.09303	1.4
193.10161	3.1
194.10837	1.3
195.08076	1.1
195.11684	5.4
197.09630	5.6
197.13309	3.9
198.10455	2.3
199.07596	0.9
199.11189	10.8
200.12030	0.8
201.09050	1.2
201.12733	0.9
204.09398	1.0
205.10275	1.6
205.12157	1.1
206.11000	1.3
207.07878	0.7
207.11745	3.2
208.12541	0.8
209.09618	2.1
209.13275	1.9
211.07539	0.7
211.11157	4.5
213.09169	3.0
213.12744	16.6
215.10704	2.3
217.10191	1.2
217.12285	2.0
219.11667	1.5
220.08955	0.7
220.12524	0.8
221.09679	1.5
221.13322	2.1
222.10507	0.9
223.11165	3.5
223.14903	1.2
225.12834	1.0
227.10677	0.8
229.10181	1.3
229.12292	2.2
230.10884	0.9
231.09999	1.3
231.11885	1.6
231.13876	3.1
233.09691	1.1
233.13419	1.4
234.14041	1.1
235.11150	1.9
235.14966	1.8
237.12762	2.9
239.10756	2.3
241.10136	1.3
241.12277	3.8
242.10887	0.9
243.11678	1.6
243.13838	4.6
244.12523	1.8
245.13232	1.4
245.15372	15.5
246.10506	1.1
247.11269	1.6
247.14833	2.2
249.12813	2.0
251.10753	1.6
251.14395	1.2
253.10193	1.0
255.11621	1.0
255.13850	3.9
256.12469	1.2
257.13403	1.7
257.15601	1.1
258.14099	2.2
259.11069	1.3
259.13406	2.5
261.12747	1.8
263.14282	1.4
265.16138	0.8
266.10855	0.9
268.12408	1.2
269.13251	3.4
270.10776	0.8
270.14154	1.7
271.11243	1.9
271.14969	1.4
272.11777	1.1
273.12637	1.1
273.14886	12.0
274.13290	0.8
275.11423	0.8
275.14249	3.4
277.12283	1.0
277.16080	1.1
283.11108	2.3
283.14786	2.3
284.12131	1.0
284.15656	1.4
285.12695	2.5
286.13620	1.4
286.16876	0.9
287.11145	0.9
287.14240	3.4
289.12378	1.3
289.15875	2.0
291.13498	0.8
291.16830	0.8
297.12686	4.9
297.15991	1.2
298.13696	1.9
298.17352	0.9
299.11038	0.9
299.14334	2.7
300.15140	1.8
301.12933	0.8
301.15921	4.5
302.16492	0.9
303.13864	2.1
303.17502	1.6
311.11005	0.8
311.14243	3.6
312.15219	2.4
313.12375	1.5
313.15955	2.8
314.13107	1.2
314.16504	1.5
315.17517	3.5
317.15576	1.2
317.18915	3.5
323.16861	0.7
325.12427	1.1
325.16077	1.4
326.16776	2.4
327.13675	1.9
327.17331	9.5
328.18240	2.8
329.15402	4.6
329.19061	1.9
331.16919	1.4
331.20703	1.6
339.13779	1.3
340.14600	1.6
341.19037	8.5
342.16272	0.9
343.16940	1.9
345.14761	1.2
345.18509	5.7
354.16180	2.8
357.18497	4.7
359.20065	5.3
361.18060	1.9
369.18634	10.5
377.21384	1.1
387.19568	14.7
388.19775	0.8
389.21191	5.4
389.82761	0.8
391.22708	4.7
401.21094	14.6
405.20871	1.5
411.21628	1.6
419.22235	21.4
429.20914	1.0
437.23361	1.5
447.21655	3.1
461.23315	2.7
465.22995	0.8
479.24136	7.2
491.22253	1.1
519.27246	0.8
569.25555	1.8
579.29523	2.3
583.26764	1.3
601.28247	1.9
669.30359	2.3
683.32617	4.5
701.32129	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.3
53.03949	2.7
55.01870	3.3
55.05269	0.9
55.05518	15.5
55.47098	0.7
60.99056	0.8
64.76586	0.9
65.03956	1.2
66.35313	0.8
67.05515	2.8
69.03431	2.1
69.07076	2.4
70.39881	0.8
70.59544	2.6
76.66206	0.8
77.03935	1.3
79.05510	6.8
80.61513	0.8
81.03410	3.1
81.07059	2.5
83.01369	1.4
83.04994	21.4
91.05493	11.4
93.07059	5.6
95.04984	5.7
95.08603	3.0
97.06519	1.1
103.05481	55.0
105.03390	3.7
105.04498	0.9
105.07047	14.6
107.04962	2.1
107.08612	5.7
109.06537	3.3
115.05487	4.6
116.06223	1.0
117.07031	7.5
119.04973	1.0
119.08595	11.3
121.06510	3.0
121.10166	2.5
123.04425	1.5
128.06245	3.7
128.73938	0.8
129.07033	4.9
130.07805	1.5
131.04944	100.0
131.08569	8.7
132.05363	0.9
133.06517	6.5
133.10136	18.4
135.08080	3.1
137.05936	0.9
141.07022	3.1
142.07835	4.4
143.08580	11.0
145.06487	8.1
145.10146	8.0
146.07263	1.2
147.08047	5.8
147.11673	1.4
149.09665	4.2
151.07678	0.9
154.07857	0.8
155.08560	6.2
155.82182	0.8
156.09387	6.9
157.06476	1.7
157.10143	16.9
158.10841	1.2
159.08112	6.4
159.11699	5.5
161.05994	7.4
161.09619	8.2
163.07541	7.5
163.11224	3.0
165.07030	3.1
166.07797	2.0
167.08618	3.1
168.09393	2.5
169.06422	1.0
169.10159	9.4
170.10944	6.8
171.08058	6.7
171.11716	25.6
172.08846	1.5
173.06052	1.2
173.09647	8.6
173.13258	2.8
175.07538	2.1
175.11177	2.4
177.09186	4.2
179.08578	2.5
180.09367	2.8
181.10138	3.8
182.07297	0.8
182.10925	1.7
183.08105	2.5
183.11714	31.1
184.08853	1.2
184.12375	2.0
185.09622	7.3
185.13271	17.6
187.07649	1.9
187.11238	4.8
187.14711	0.9
189.05518	2.0
189.09116	4.2
191.07008	1.1
192.09328	1.7
193.10141	3.8
194.11024	1.4
195.08023	1.9
195.11711	7.2
196.08849	1.7
197.09613	3.4
197.13271	6.1
198.10434	4.2
199.11180	9.2
200.11987	3.1
201.09138	4.2
201.12790	3.7
203.08731	1.6
203.10645	1.7
203.14362	1.5
205.10196	2.1
205.12292	2.6
206.10907	3.0
207.11729	4.1
208.12361	1.1
209.09673	1.8
209.13258	3.2
210.10429	1.4
211.11218	7.5
213.09352	1.8
213.12759	39.2
215.10777	1.6
217.08496	1.2
217.10367	1.8
217.12282	2.0
218.10780	1.6
219.11833	2.0
220.12485	2.4
221.09744	1.3
221.13284	4.3
223.11206	3.3
223.14908	1.3
225.09163	1.5
225.12802	1.7
227.10808	1.7
229.08496	1.6
229.12259	3.4
230.10832	1.6
231.09924	2.0
231.11771	2.3
231.13834	3.4
232.12520	1.9
233.09616	1.1
233.13432	4.0
233.15356	1.4
234.13921	1.5
235.11261	1.7
235.14854	3.2
236.15381	1.1
237.12778	3.2
239.10686	1.3
239.14185	1.2
241.12209	5.1
243.11661	2.4
243.13919	3.5
244.12483	2.7
245.13280	3.0
245.15451	6.1
246.14043	1.9
247.11137	1.1
247.14841	3.3
248.15659	0.9
249.12747	2.3
249.16411	2.1
251.10753	0.9
251.14275	1.8
253.09897	1.1
255.11670	1.0
255.13884	3.5
256.12277	1.2
257.13406	2.2
257.15518	1.2
258.14145	1.9
259.14923	2.9
260.15637	2.2
261.12732	1.7
261.16559	1.7
262.13519	1.2
263.14291	1.7
269.13217	1.9
270.13870	1.2
271.15152	1.3
272.15674	1.6
273.14832	22.6
275.12958	3.5
277.12250	1.3
277.15884	1.8
277.19534	1.0
279.13885	1.4
283.14655	1.4
285.12759	2.2
285.16501	1.4
286.13666	1.2
287.14221	1.7
287.17798	1.7
291.15955	1.1
293.15176	1.6
296.15668	1.1
297.16180	1.2
299.14215	1.8
300.15115	1.2
301.15842	1.6
303.14078	1.1
303.17444	1.2
310.13562	1.2
311.18015	1.0
313.15756	2.4
314.16571	1.1
315.17474	3.6
316.14517	1.2
317.15546	1.9
319.17175	1.8
328.14453	1.1
329.15469	1.8
329.19107	2.1
331.16977	4.8
331.20715	1.0
333.18408	4.0
343.16910	7.2
345.18552	1.4
347.20251	1.4
349.18292	1.3
351.19727	1.0
357.18515	8.6
361.18008	10.0
373.17929	2.5
375.19553	10.8
385.18170	4.6
389.21237	2.3
391.19019	1.3
393.20657	2.0
403.19083	9.7
405.20676	2.3
407.22141	2.5
417.20709	9.2
421.19989	2.9
435.21735	17.4
453.22586	3.8
535.26697	2.3
683.32050	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65119	0.7
51.02368	1.1
51.79442	0.8
53.03938	2.3
55.01865	3.4
55.05515	12.8
65.58045	0.8
67.05508	4.1
69.03419	2.6
69.07053	1.9
71.86597	0.8
76.07634	1.4
77.03938	1.4
79.05499	4.8
80.84252	0.8
81.03408	3.6
81.07061	4.8
83.01331	1.1
83.04990	17.3
90.65975	0.8
91.05482	10.4
93.07052	5.7
95.01338	1.0
95.04987	7.4
95.08614	3.6
96.62598	0.8
103.05475	54.4
105.04530	1.8
105.06390	1.2
105.07043	14.7
107.04969	1.8
107.08617	4.3
109.02919	1.1
109.06499	2.8
115.05450	4.4
117.07030	7.0
119.04938	1.5
119.08588	12.1
121.06494	2.8
121.10145	2.4
128.06189	4.0
129.07039	4.2
130.07799	1.1
131.04938	100.0
131.08566	8.9
133.06508	5.4
133.10127	15.0
135.08069	3.3
141.06969	2.6
142.07806	5.1
143.08577	10.5
145.06505	7.4
145.10124	8.0
147.08044	5.5
147.11688	1.4
149.09639	5.2
153.06984	2.6
154.07790	1.7
155.08594	6.2
156.09348	6.6
157.06516	1.1
157.10136	16.8
158.07228	1.3
158.10641	0.9
159.08118	4.6
159.11719	5.8
161.06000	7.1
161.09642	5.6
163.07547	8.5
163.11188	3.2
165.07010	3.7
167.08568	3.2
167.12508	0.9
168.09389	2.1
169.06499	1.0
169.10150	8.5
170.10959	6.0
171.08028	5.2
171.11690	20.3
172.08824	2.5
173.06049	1.2
173.09637	7.5
173.13208	2.5
175.07547	2.1
175.11160	1.6
177.09091	4.5
179.07069	1.5
179.08585	2.9
180.09387	1.8
181.10083	4.1
182.10895	1.5
183.08130	2.3
183.11717	29.3
184.08762	1.9
184.12296	1.5
185.09651	6.5
185.13272	14.9
186.10269	1.0
187.07491	2.4
187.11148	6.4
189.05450	1.7
189.09129	3.9
189.12749	1.2
191.06987	1.1
191.08664	1.5
193.10110	4.6
194.10930	1.2
195.08087	1.4
195.11725	8.9
197.09619	3.9
197.13268	5.7
198.10390	3.0
199.07515	1.5
199.11208	9.8
200.11946	2.1
201.09119	3.2
201.12794	4.0
203.08673	1.3
203.10675	2.0
203.14345	0.9
205.10205	1.9
205.12177	2.0
206.10907	2.1
207.11775	4.1
208.12390	2.1
209.09700	2.1
209.13255	2.8
211.07550	1.0
211.11183	9.4
213.09361	1.3
213.10802	1.7
213.12759	30.8
215.10713	3.0
217.08502	1.1
217.10356	1.0
217.12144	2.0
219.11737	2.3
220.12434	2.7
221.13364	4.5
222.13901	1.2
223.11194	3.0
223.14868	1.8
225.09108	1.4
225.12679	1.9
227.10661	2.0
229.08337	1.1
229.10301	1.7
229.12268	3.3
230.10912	1.3
231.09891	1.7
231.11746	2.9
231.13835	2.0
232.12421	2.4
233.09644	1.4
233.13277	2.9
233.15405	1.1
234.10333	1.0
234.13951	1.2
235.11191	1.5
235.14822	2.5
237.12703	3.0
237.16588	1.1
239.08502	1.1
239.14403	1.7
241.12286	5.3
242.10770	0.9
243.11690	2.5
243.13857	3.6
244.12444	2.3
244.14737	1.0
245.13167	2.8
245.15353	6.5
246.13974	1.6
247.11172	2.1
247.14926	5.1
248.15768	1.2
249.12769	2.2
249.16351	2.5
251.14330	1.4
253.12323	1.4
255.11623	1.4
255.13866	2.8
257.09412	1.0
257.13278	2.8
258.13947	1.8
259.10992	1.2
259.14777	3.2
260.11835	1.5
260.15622	1.0
261.12610	1.5
261.16382	2.9
263.14182	1.8
265.15750	1.5
267.11554	1.3
270.13998	1.7
271.14868	2.5
272.15540	2.4
273.14798	20.1
275.12930	1.8
277.15887	1.3
279.17291	1.2
285.12949	1.7
285.16223	2.1
286.13751	1.6
286.17111	1.4
287.14230	2.5
287.17822	1.8
289.15955	1.7
291.17392	1.6
293.15454	1.1
296.15222	0.9
299.14166	1.5
301.15689	1.8
303.17352	1.1
305.15271	1.9
315.17343	3.0
317.15341	1.3
319.16968	2.3
321.18549	1.7
325.15918	1.3
327.13913	1.0
327.17471	1.2
329.15259	1.6
329.19031	2.8
331.13239	1.2
331.16864	3.8
333.18497	3.9
343.16809	6.9
345.14694	1.5
345.18491	2.8
347.16379	1.5
347.20132	2.3
349.18051	2.1
351.19400	1.3
357.18500	6.8
361.18024	8.9
365.17395	1.1
373.17880	1.7
375.19696	7.2
379.18918	1.2
385.18265	4.6
389.17197	2.1
389.21545	1.4
391.19055	1.5
393.20587	1.8
403.19064	8.2
405.20883	1.0
407.22507	1.6
417.20865	5.8
421.19946	3.0
435.21674	15.0
439.21027	2.2
453.22626	3.2
535.26526	3.1
540.74335	1.1
701.27631	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	701.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01856	3.2
55.05516	11.9
56.54641	1.2
56.92662	1.3
58.15794	1.3
67.05489	4.8
69.03423	2.7
70.43526	1.2
71.20265	2.4
79.05476	5.8
81.03426	3.4
81.07050	2.2
83.04990	18.9
86.80187	1.3
91.05486	8.5
93.07035	4.0
95.04948	6.5
96.37346	1.2
97.13241	1.2
103.05470	53.8
104.05791	5.0
105.07039	14.1
107.04923	1.7
107.08572	2.8
109.02874	1.2
109.06493	2.7
111.08096	2.1
115.05453	4.1
115.57768	1.4
117.07009	5.7
119.04922	2.0
119.08561	8.9
121.06512	3.2
128.06218	3.1
129.06989	4.9
131.04935	100.0
131.08577	9.1
132.05266	13.1
133.06480	6.1
133.10110	11.4
135.08057	3.4
137.06017	1.3
141.06984	3.5
142.07762	4.1
143.08583	9.9
145.06508	6.0
145.10120	5.8
147.06920	1.2
147.07961	6.0
149.09566	3.0
153.07034	1.8
155.08543	5.8
156.09370	7.3
157.06548	2.3
157.10117	12.4
158.10423	2.4
159.08047	8.2
159.11649	4.6
161.05922	10.2
161.07030	1.1
161.09634	4.3
163.07510	6.7
163.11234	3.3
165.06975	2.8
167.08540	3.0
169.06418	1.3
169.10123	8.2
170.10881	8.1
171.08006	5.6
171.11694	16.2
172.12021	3.7
173.05994	1.8
173.09648	7.6
173.13208	2.8
175.07549	1.5
177.09091	3.2
179.07028	1.8
179.08519	2.8
181.06406	1.5
181.10078	2.8
182.10831	2.0
183.08057	2.4
183.11713	19.2
184.08855	1.5
184.12122	3.5
185.09627	8.0
185.13251	12.7
186.10173	1.6
186.13545	1.9
187.07542	2.0
187.11145	3.9
188.08331	1.4
189.09024	2.8
193.10043	3.1
195.08090	2.3
195.11711	4.5
197.09540	3.9
197.13225	4.6
198.10367	2.4
199.07542	1.4
199.11191	8.7
200.11882	4.3
201.09070	4.1
201.12726	3.3
203.10626	2.1
205.10135	1.4
205.12267	1.6
206.10905	2.6
207.11713	4.4
211.11290	2.2
213.09157	3.0
213.12743	25.1
214.13147	2.5
215.08655	1.5
215.10649	4.3
217.12126	2.6
218.10663	1.7
219.11621	2.1
220.12396	2.1
221.13171	3.7
222.13704	1.4
223.11258	2.0
223.14656	1.5
225.09068	3.8
225.12697	2.8
227.10638	2.7
229.08459	2.0
229.12253	2.7
230.10933	1.8
231.11736	2.5
231.13683	2.7
233.13226	3.0
235.11046	1.7
237.12758	2.0
239.10512	1.7
241.12189	5.1
243.13821	2.3
244.12190	1.4
245.15392	5.8
249.12653	1.6
251.10718	1.4
255.13828	2.8
256.12003	2.1
257.13144	1.7
261.12625	1.8
270.13889	1.4
272.15359	2.2
273.14761	15.4
275.12540	1.6
286.16776	2.2
287.14066	2.1
298.13266	2.1
303.13586	1.5
313.15753	1.7
314.16031	2.1
315.17465	2.9
316.14050	1.5
317.15036	1.6
328.14490	2.1
329.15244	1.9
329.18610	2.1
331.16663	4.1
333.18243	2.6
342.15979	2.1
343.16910	6.5
344.17358	2.0
345.18277	2.8
347.19806	1.8
357.18445	5.3
361.17831	8.6
362.18222	1.8
373.17645	3.0
374.18069	1.5
375.19473	9.3
385.17944	3.5
388.16104	1.9
389.21152	1.6
393.20227	2.3
403.18857	7.0
405.20465	2.4
407.22003	2.3
417.20587	8.2
419.18698	2.2
420.18784	2.0
435.21576	12.9
453.22672	2.1
463.17776	2.1
535.27173	1.5
536.33258	1.5
539.22089	1.6
701.27631	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.6
60.59071	2.2
67.05518	12.1
69.03397	3.2
69.07060	4.5
76.43842	2.3
79.05486	8.7
80.04993	2.4
81.07047	10.5
83.08603	2.7
84.77562	2.3
91.05479	9.4
93.07047	8.7
95.08615	4.5
98.20805	7.8
105.07053	5.7
107.08587	2.7
109.10169	8.4
118.06557	3.7
119.08585	3.6
120.08087	4.1
131.05054	2.5
131.08533	3.8
133.10248	2.4
136.03929	3.3
136.06166	9.6
146.06001	3.2
162.05475	4.6
164.07059	8.4
174.05472	7.5
176.07118	3.5
178.04913	5.0
184.07449	2.6
192.06569	8.4
194.08185	22.8
195.09157	4.3
196.09995	3.1
197.10649	3.5
202.05005	21.1
202.20515	2.7
209.10725	11.5
210.11453	6.9
220.06041	5.7
221.10724	2.6
222.11383	3.9
223.12321	15.3
224.13029	11.2
225.13844	7.0
234.07629	39.2
235.12462	4.0
237.14015	5.8
239.11703	6.3
239.15393	3.0
251.11790	7.4
253.09682	3.4
253.13303	3.8
256.12125	8.7
265.13373	8.0
269.12930	6.5
270.13638	18.7
293.12906	2.9
295.10828	3.6
298.12997	3.1
305.78867	2.8
327.13345	3.6
335.25925	3.0
341.15036	4.1
353.11530	3.4
354.12271	5.2
359.16064	13.2
368.13983	6.0
372.17181	6.7
373.17331	2.9
382.11630	3.4
383.16275	9.0
384.16940	9.4
385.17450	8.0
396.13318	6.8
398.18903	6.9
412.16449	6.0
426.18289	14.2
430.21597	3.5
434.20676	4.4
435.21472	9.2
436.22397	3.0
440.15875	17.3
442.13812	5.7
448.22116	4.5
450.23328	2.8
454.17780	13.3
458.16849	26.7
472.18726	4.7
474.17078	2.9
486.20316	77.4
487.20917	3.6
504.21149	30.7
518.19568	3.1
527.20288	3.0
547.20184	3.1
550.21997	5.2
587.22675	8.8
605.24011	28.6
607.21753	5.8
619.25037	11.6
637.16522	4.2
637.26660	66.3
639.23492	3.7
651.28265	5.1
654.25659	2.8
655.26819	3.1
669.29224	100.0
670.29669	3.7
694.73273	3.2
701.32642	4.3
701.46106	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36400	0.5
55.05512	1.1
60.95767	0.5
67.05508	3.1
69.07079	1.1
79.05508	1.3
81.07064	2.7
89.06021	0.6
91.05524	1.4
93.07047	2.1
95.08604	1.1
96.48570	0.5
97.10189	0.9
98.21546	1.2
105.07025	0.9
107.08621	0.8
109.10134	0.9
117.07052	0.6
121.10161	1.3
133.10132	0.7
211.12439	0.6
222.78824	0.6
237.13773	1.0
314.61633	0.6
362.18536	0.6
369.26080	0.6
381.20920	0.7
393.20993	1.0
407.22409	0.8
409.20563	0.9
420.19601	0.8
421.20209	0.9
422.20731	0.8
423.21875	5.8
433.20435	0.9
435.22229	1.4
436.22812	1.0
437.23676	3.1
438.24332	1.6
448.19052	1.1
449.19479	0.8
453.23477	0.8
462.20938	0.7
463.21326	1.0
468.25504	0.7
475.21219	1.6
480.21384	0.9
491.20480	1.2
492.21735	1.8
505.22604	0.9
507.24075	1.4
522.26355	0.8
523.27252	4.7
524.27673	2.4
525.25354	0.9
534.22430	0.9
535.23767	0.6
536.24353	0.7
539.26385	1.2
550.25909	1.1
551.26355	2.5
553.25159	0.9
555.29993	1.1
567.25873	1.0
568.26617	0.9
572.72760	0.6
577.24890	1.2
579.26154	4.2
589.24817	0.7
595.26245	1.0
605.23889	1.3
609.27374	1.6
611.28784	5.3
612.28284	0.7
637.26776	1.4
651.28235	7.2
655.27759	2.0
669.29156	18.0
670.29541	2.6
683.29468	0.7
700.47919	1.4
701.31836	100.0
701.49078	3.0
702.32153	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	701.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47217	4.6
67.70465	4.2
71.56841	5.2
82.68339	4.2
95.62193	4.0
205.53563	4.7
423.21725	7.9
491.80429	5.6
578.24158	5.0
651.27844	8.0
660.95490	5.1
669.28955	22.9
670.28772	5.0
701.31830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.05514	54.6
56.77179	2.8
62.62164	2.9
67.05501	7.9
68.99772	9.3
69.03405	5.9
69.07079	4.9
71.56040	3.4
79.05492	11.4
81.03409	3.0
81.07054	13.2
83.04985	82.5
91.05499	26.5
93.07047	13.5
95.04958	10.8
95.08594	11.8
103.05468	64.5
105.03397	10.1
105.07032	29.4
107.04986	5.9
107.08589	11.9
115.05437	9.4
117.07025	23.1
119.04927	3.4
119.08582	33.3
121.06521	9.8
121.10091	6.8
128.06218	8.2
129.07007	9.9
131.04935	100.0
131.08542	19.8
133.06485	15.2
133.10147	17.3
135.08035	8.8
136.79756	2.7
137.09486	3.0
141.06998	5.1
141.09270	3.0
142.07767	8.5
143.08577	27.8
145.06480	9.2
145.10091	20.4
147.08040	12.0
149.05977	11.6
149.09576	9.4
153.07008	6.8
155.08517	15.4
156.09276	18.9
157.10135	28.1
158.07263	3.1
159.08025	11.4
159.11679	13.3
161.05959	11.3
161.09607	12.7
163.07503	17.3
163.11150	5.4
165.06979	7.2
166.07704	3.1
167.08546	7.0
169.10191	17.5
170.10893	12.3
171.08102	17.0
171.11694	62.7
173.05968	4.1
173.09641	19.9
173.13310	5.3
175.07558	7.5
175.11163	3.7
177.05443	8.3
177.09102	9.3
179.06989	4.7
180.09392	4.1
181.10100	9.5
183.08046	9.4
183.11688	48.4
183.63910	3.1
184.08891	6.5
185.09717	15.7
185.13274	54.6
187.07552	5.9
187.11189	10.4
189.05516	5.6
189.09151	7.2
191.07036	14.3
191.10709	4.8
192.09412	3.2
193.10173	7.7
194.10995	4.5
195.11734	13.8
197.09605	12.2
197.13257	9.8
198.10347	7.1
199.07629	4.9
199.11137	28.2
200.11867	5.8
201.09079	8.2
201.12733	10.6
203.08582	3.5
203.10753	3.2
205.08595	6.3
206.10802	3.7
206.32642	3.2
207.11594	10.2
209.09732	6.5
209.13235	5.2
211.07568	4.0
211.11174	20.5
213.09189	6.1
213.12750	61.3
214.12900	3.7
215.10652	6.9
215.14232	3.2
216.09343	4.5
217.08540	8.5
217.10355	5.7
217.12209	4.7
219.11717	7.6
220.12427	5.2
221.13257	8.1
223.11218	5.3
223.14743	4.2
225.12787	4.0
229.10115	4.5
229.12192	6.9
231.11887	5.9
231.13799	9.9
232.12402	5.2
233.13312	6.5
235.14732	5.3
237.12737	6.7
239.10802	3.9
241.12294	10.5
243.11688	9.2
243.13904	7.9
244.12456	8.0
245.13359	4.0
245.15427	33.7
247.11256	4.8
247.14807	7.1
248.12288	2.8
249.09146	3.8
249.12886	5.1
249.16389	3.9
255.13904	6.6
257.13354	5.5
258.14093	5.4
259.15054	6.6
260.15494	3.3
261.16516	6.8
263.14059	3.6
263.18201	3.0
265.19751	3.5
269.13251	6.9
270.14023	4.8
271.14865	4.0
272.15292	4.0
273.12378	3.7
273.14719	23.5
274.13412	3.7
275.17996	5.1
277.15952	6.3
283.14740	3.7
284.11929	2.8
285.12708	3.2
285.16272	7.1
286.13522	4.3
287.14340	7.2
287.17856	5.3
289.15903	7.3
297.12753	5.4
298.13443	4.0
300.15051	3.5
301.12405	5.9
301.15842	7.6
303.17242	5.6
305.15164	4.9
311.14145	3.6
315.17459	4.6
317.15335	3.9
319.16772	6.3
321.18494	4.1
325.15723	4.5
328.14474	3.7
329.15314	12.1
331.13287	3.8
331.16876	6.7
333.18411	3.8
343.13266	3.4
343.16925	12.3
345.14609	5.7
345.18497	4.3
347.16272	6.0
353.15750	4.5
355.16754	4.2
357.18683	4.6
359.16327	9.9
361.18079	10.0
369.20465	4.1
371.16391	12.8
373.17978	7.4
377.17459	4.2
379.19183	3.5
385.17783	4.0
389.17648	16.8
391.19186	12.1
393.20444	6.0
401.17386	4.3
403.19150	16.1
407.18466	8.8
409.19934	4.5
417.16833	8.5
419.18567	8.6
421.20322	14.4
423.21515	3.3
431.18579	14.9
433.19949	4.8
435.21243	4.0
437.19141	6.7
449.19406	21.2
451.21304	5.0
453.22516	9.6
455.20453	3.6
463.21106	22.1
481.22449	23.0
509.21652	5.1
541.23755	14.2
553.20044	4.4
601.26038	5.2
683.28278	19.9
701.31110	75.8
701.44183	5.2
701.48840	6.8
702.29828	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	701.315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.2
55.01852	4.6
55.05260	6.3
55.05513	80.2
57.98923	3.3
67.05490	7.7
68.99793	15.5
69.03423	5.5
79.05495	18.1
81.03397	3.7
81.07055	10.5
83.04983	98.9
91.05488	29.1
92.67082	3.4
93.07048	16.1
95.04974	9.0
95.08600	10.8
96.05341	3.9
98.21587	8.0
103.05463	45.3
105.03410	17.8
105.04440	5.1
105.07033	36.7
106.03767	4.3
107.04935	6.6
107.08592	15.2
109.06528	3.7
115.05466	11.8
116.06201	3.5
117.07011	27.4
119.08580	41.0
121.06513	11.8
121.10143	8.3
123.08067	4.8
128.06223	14.0
129.07025	15.9
130.07832	6.9
131.04939	50.2
131.08556	25.7
132.05286	7.1
132.08885	4.4
133.06497	8.9
133.10136	21.2
135.04402	5.4
135.08055	10.2
141.07013	10.2
142.07835	10.8
143.08566	33.6
144.69855	4.1
145.06508	13.8
145.10080	27.1
147.08041	19.5
149.06033	18.9
149.09624	9.9
155.08516	19.3
156.09322	26.3
157.06532	6.6
157.10141	55.4
158.10632	7.1
159.04483	4.7
159.08081	16.8
159.11708	16.7
159.22679	3.9
160.11998	5.4
161.05992	13.8
161.09659	17.4
163.07552	39.5
163.11215	8.8
165.07010	12.6
167.08582	8.2
169.06465	6.3
169.10124	29.7
170.10881	19.8
171.08035	22.5
171.11691	99.5
172.08757	3.8
172.12102	6.7
173.06010	7.5
173.09695	30.7
175.07504	13.1
177.05455	19.9
177.09113	23.1
179.08478	7.2
179.10704	4.3
180.09337	5.3
181.10121	12.5
182.10843	4.5
183.08066	15.7
183.11690	69.2
184.08768	8.0
184.12291	7.6
185.09691	29.7
185.13266	69.8
187.07469	5.1
187.11194	13.8
189.05470	8.4
189.09047	11.8
191.07022	39.4
191.10768	6.9
193.10153	11.0
194.10931	4.6
195.08083	6.5
195.11760	23.6
197.09616	15.0
197.13284	15.6
198.10399	13.3
199.07515	7.2
199.11200	41.9
200.11928	6.0
201.09061	8.1
201.12672	8.7
203.06932	8.2
203.10641	5.4
205.04959	5.1
205.08652	11.7
205.12148	9.2
206.10840	5.8
207.11694	11.3
209.09708	8.0
209.13252	10.6
211.11177	31.6
212.11743	4.4
213.09427	6.7
213.12746	100.0
215.06950	6.7
215.10670	9.3
217.08551	5.7
217.12215	10.0
219.06299	4.2
219.11821	7.6
220.12500	4.8
221.13225	8.1
223.09406	5.3
223.11259	11.6
227.10670	5.3
229.12228	14.9
230.10803	6.7
231.09999	8.6
231.11937	6.5
231.13794	8.9
232.12489	8.4
233.13333	7.9
234.13976	5.9
235.11076	5.1
235.14902	8.2
237.07565	5.1
237.12643	4.9
241.12245	13.0
242.10754	6.4
243.11935	4.3
243.13887	19.6
244.12357	7.2
245.13237	9.3
245.15384	51.5
246.14059	5.4
247.11455	4.0
247.14853	8.0
249.16580	4.7
251.10815	4.2
255.11607	8.1
255.13882	11.5
257.13196	12.9
258.14005	12.0
259.15115	5.3
260.15802	5.4
261.16525	5.9
263.14047	6.2
267.11484	7.5
268.12436	6.6
269.13290	10.9
270.14108	5.3
271.13312	4.3
271.15021	6.5
273.14658	34.5
274.13208	6.1
275.14304	4.3
275.17963	5.0
283.11459	5.3
283.14835	13.3
283.59302	3.7
284.12091	4.5
284.15448	5.5
285.12927	7.9
285.16205	6.8
286.13513	6.5
287.14273	8.2
287.18048	5.7
289.15854	4.6
295.73724	4.5
296.12054	4.3
297.12906	5.8
297.16144	5.6
298.13412	5.9
299.17752	6.9
301.15869	15.9
303.17352	6.9
305.11862	5.2
310.13464	4.5
311.14380	10.4
313.12469	4.3
313.15829	8.8
315.13934	6.9
315.17371	11.4
317.15250	6.7
319.16959	6.4
325.15958	4.7
329.15384	16.7
330.16196	5.1
331.16888	8.9
333.18219	7.1
343.17035	25.6
345.14767	5.4
345.18512	6.4
347.16473	15.0
357.14746	8.4
357.18655	5.4
359.16537	5.8
361.17923	17.8
371.16504	26.8
373.18176	7.0
375.15442	4.9
375.19632	11.7
377.17352	7.0
379.18948	5.8
385.17783	6.7
389.17480	30.2
393.20624	6.4
399.15771	7.7
401.17404	4.4
403.18994	31.1
405.20789	5.3
407.18399	6.7
413.17630	5.0
417.16800	10.8
419.18756	5.4
421.20169	23.9
431.18539	28.2
435.21564	13.2
437.19049	3.9
445.19873	5.7
449.19598	40.9
451.21204	9.0
453.22766	23.0
463.21167	29.7
464.58261	4.0
467.20773	8.0
481.22214	53.4
509.21725	7.9
541.24225	20.0
666.29150	9.2
680.12933	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	701.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.7
55.01859	4.5
55.05516	61.7
58.80552	2.8
67.05499	7.7
68.99780	12.6
69.03417	7.7
69.07088	7.7
77.27554	2.9
79.05502	21.0
81.03431	3.8
81.07043	11.8
83.04988	97.9
91.05486	35.3
93.07037	20.0
95.04952	15.5
95.08604	11.9
101.47980	2.9
103.05473	41.0
103.85764	3.0
105.03403	24.1
105.04498	3.7
105.07042	36.5
107.04990	7.9
107.08590	15.7
109.06510	5.7
110.43038	3.3
111.04442	3.7
115.05460	14.0
117.07031	34.5
119.08593	45.8
121.06480	10.7
121.10145	4.5
123.08125	5.1
125.05938	4.0
128.06229	11.1
129.06996	13.9
130.07739	5.7
131.04938	50.3
131.08595	23.0
131.34351	4.3
132.05304	4.8
133.06494	13.9
133.10155	27.7
134.10519	3.8
135.08037	12.7
141.06906	7.4
142.07820	16.5
143.08553	33.9
145.06439	10.2
145.10120	26.9
147.04306	3.8
147.08078	10.6
149.05969	13.6
149.09566	12.6
153.06982	7.8
155.08571	19.5
156.09351	26.8
157.06496	4.0
157.08954	4.4
157.10150	58.1
158.10611	5.6
159.04402	5.7
159.08063	19.1
159.11722	18.6
161.05981	14.9
161.09619	12.7
162.09950	3.1
163.07565	42.5
163.11183	11.2
165.06961	8.5
165.09178	5.9
166.07820	3.9
167.08521	4.5
168.06514	4.2
168.09352	4.8
169.06479	5.7
169.10126	30.1
170.10941	23.5
171.08116	17.2
171.11700	100.0
172.08722	5.7
172.12044	5.5
173.05959	7.1
173.09633	23.0
173.13268	7.4
175.07539	8.7
175.11223	7.0
177.05510	16.1
177.09100	22.5
179.08522	7.9
180.09221	4.4
181.10124	13.8
183.08081	12.2
183.11699	72.4
184.12183	11.9
185.09637	20.1
185.13258	75.6
187.11168	13.3
189.05487	7.4
189.09091	8.2
190.07651	3.6
191.07040	33.8
191.08649	5.0
193.10172	9.4
194.10811	4.8
195.08075	6.1
195.11729	19.6
196.12518	3.5
197.09711	17.8
197.13274	16.0
198.10329	8.0
199.07587	7.4
199.11195	41.6
201.09152	8.1
201.12726	12.9
203.07098	8.6
205.04907	4.1
205.08554	7.0
205.12151	9.8
206.10913	5.9
207.11659	11.1
208.12234	4.8
209.07959	3.4
209.13185	9.3
211.07671	5.3
211.11217	27.6
212.11931	3.5
213.09134	10.0
213.12752	96.6
215.10640	7.3
217.08543	8.9
219.06502	8.3
219.11612	7.7
220.12593	4.1
221.13174	15.1
222.13850	7.7
223.11295	7.5
223.14845	5.8
225.12891	4.6
227.10641	4.8
229.08337	4.9
229.12196	7.8
230.10931	5.4
231.09966	3.9
231.11859	5.6
231.13811	7.8
233.13280	7.1
233.15324	4.6
234.14040	4.2
235.11273	7.9
235.14784	6.4
237.12708	7.3
237.16354	6.7
239.10704	4.1
241.12213	15.6
243.11807	6.0
243.13826	18.2
244.12453	10.2
245.13211	11.2
245.15408	56.6
246.13937	8.1
247.11220	6.0
247.14940	4.6
249.12817	9.0
249.16350	5.5
251.10657	3.9
251.14365	5.6
255.11665	5.3
255.13870	10.1
256.12393	4.5
257.13156	14.0
258.13998	6.3
259.11118	4.1
259.14868	9.0
261.12698	4.7
261.16519	5.7
262.13168	4.3
263.14215	4.5
265.12329	5.5
265.15723	4.2
268.12399	6.2
269.13229	9.1
270.13962	9.9
271.13242	6.6
272.15796	7.4
273.12405	6.2
273.14792	37.5
283.14618	7.6
284.15451	6.5
285.12695	12.0
285.16141	8.2
286.13470	7.0
287.14401	6.8
287.17731	7.9
289.15851	3.4
291.17068	5.2
293.15521	4.9
297.12674	7.4
297.16245	3.8
298.13394	5.5
299.14334	7.5
300.15018	3.8
301.12463	5.0
301.15854	14.4
303.17139	4.6
305.15189	5.8
310.13538	5.2
311.14227	8.1
313.12207	6.9
314.12979	3.5
315.13794	9.0
315.17444	11.5
317.15222	8.6
319.17014	9.0
325.15561	5.3
327.17468	5.4
328.14584	4.6
329.15228	16.9
331.13339	6.3
331.16931	7.8
333.18503	8.0
343.13321	5.2
343.16763	17.1
345.14682	6.2
345.18393	4.5
347.16327	14.3
347.20181	5.0
357.14798	13.1
359.16467	5.1
361.17926	12.5
371.16379	22.6
373.17719	6.9
374.18481	5.6
375.15570	6.0
375.19559	9.5
379.18958	8.7
385.18024	12.6
389.17557	27.8
393.20398	11.2
399.16068	7.3
401.17291	3.9
403.19308	26.0
407.18402	11.1
413.17380	8.4
417.16800	12.4
421.20120	28.8
431.18573	27.9
434.20282	4.0
435.21921	6.5
439.21240	4.3
445.20334	6.7
449.19757	38.9
452.21313	6.4
453.22513	14.1
463.21255	28.0
467.20569	9.3
481.22287	38.1
491.20966	3.8
509.21979	5.7
531.23621	6.8
541.24274	17.1
553.27789	3.9
606.27142	4.0
634.26788	8.0
666.29932	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01866	4.1
55.05513	13.0
56.96577	5.1
57.78374	0.8
58.95985	0.9
65.03928	1.7
67.05497	2.5
69.03428	4.8
69.07069	1.7
69.70745	2.3
69.71147	3.3
75.30857	1.0
77.03949	0.9
79.05492	4.5
81.03432	3.2
81.07049	3.4
83.04990	5.3
83.08623	4.2
91.05477	9.2
93.07044	12.7
95.01336	1.2
95.04976	7.3
95.08580	1.1
98.21395	2.1
98.97598	1.8
103.05465	14.8
105.04488	1.3
105.07047	10.7
105.95046	0.9
107.04962	1.2
109.06513	1.5
111.08080	100.0
115.05463	3.4
116.98657	1.5
117.07020	3.9
119.04990	1.4
119.08601	4.7
121.06520	2.2
125.05968	1.0
128.06213	1.8
129.07001	2.6
131.04927	33.8
131.08571	4.3
132.05196	1.1
133.06470	6.7
133.10138	6.3
135.08057	3.1
137.06012	1.2
139.77992	0.9
141.06964	1.5
142.07791	2.4
143.08534	5.1
145.06523	4.3
145.10132	2.8
147.08060	2.4
149.06017	1.4
153.07040	1.1
154.07777	1.3
155.08516	2.5
156.09334	2.0
157.10083	4.8
159.08047	2.9
159.11703	1.8
161.05978	16.1
161.09590	2.1
163.07594	3.3
167.08638	1.2
169.06566	1.5
169.10193	5.2
170.10924	1.8
171.08070	3.8
171.11700	4.1
173.06033	2.5
173.09624	4.0
173.13263	1.3
175.07610	1.1
177.09059	2.5
179.07047	1.3
179.08487	1.7
181.10107	2.5
183.08049	2.9
183.11649	5.9
184.08867	1.1
184.12460	1.2
185.09550	4.9
185.13206	4.5
187.07562	1.9
187.11227	2.0
189.05537	1.1
189.08987	1.2
193.10103	1.1
194.83102	1.1
195.08093	1.8
195.11731	2.0
197.09575	4.8
197.13330	2.3
198.10393	1.4
199.07561	2.7
199.11232	6.3
200.11963	1.2
201.09103	3.0
201.12714	1.6
207.11697	1.5
209.09550	1.2
211.11162	2.2
213.09119	4.0
213.12747	7.1
215.10617	2.0
217.08530	1.6
217.10361	1.1
223.02861	3.7
223.11139	1.9
225.09064	8.9
225.12625	1.4
227.10699	1.5
231.10056	1.3
239.10664	1.7
239.38718	0.9
241.03836	1.7
241.08652	2.9
241.12292	1.8
243.10081	1.9
244.12411	1.0
245.13269	1.2
247.14854	1.4
255.10307	1.2
256.30789	1.0
257.08124	5.9
257.11633	1.2
259.09625	4.1
273.14868	4.9
281.12979	1.6
285.11313	2.9
286.13486	1.1
301.10889	2.9
301.15884	1.0
315.13950	1.3
315.17545	1.8
317.15674	1.0
327.13724	1.5
331.16934	2.2
333.18307	1.5
337.11859	1.1
343.16943	2.7
345.14252	1.0
357.14508	1.5
357.18558	2.1
361.12903	5.9
361.17987	2.6
363.14877	1.2
373.18033	1.3
375.19565	3.0
385.18063	1.4
401.13458	2.5
403.15118	2.8
403.19455	1.9
413.14081	1.3
417.20856	4.7
419.14874	1.4
421.16159	1.5
431.15063	2.1
435.22076	6.1
445.16504	2.8
463.17593	10.7
473.21487	1.2
481.18631	5.5
495.20187	2.2
505.18539	2.2
511.19827	2.0
523.19611	3.8
541.20721	10.1
553.20892	4.3
573.59766	0.9
609.26392	1.3
641.24182	6.0
659.24524	2.5
669.26825	1.6
701.26343	17.3
702.26019	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01872	0.9
55.05505	1.2
56.96619	0.3
67.05508	0.8
68.41160	0.3
69.03441	0.3
69.07063	0.5
70.06998	0.3
70.60361	1.0
71.04964	0.3
74.28958	0.3
79.05501	1.0
81.03430	0.7
81.07049	0.8
83.04998	1.9
91.05477	1.4
93.07040	1.3
95.04988	1.0
95.08588	0.4
103.05474	4.7
105.03395	1.3
105.04499	0.4
105.07042	1.8
105.71558	0.3
107.04980	0.5
107.08597	0.8
109.06528	0.8
109.10123	0.4
115.05486	0.6
117.07037	1.4
119.08593	1.8
121.06489	0.6
121.10199	0.4
124.53175	0.3
125.05988	0.4
125.46723	0.3
128.06252	0.4
129.07002	1.0
131.04938	8.3
131.08575	1.5
133.06512	1.2
133.10153	1.3
135.08069	0.6
137.09612	0.4
141.06982	0.4
142.07753	0.5
143.08603	0.9
143.28439	0.3
145.06500	1.4
145.10135	0.9
147.08052	1.5
155.08585	0.6
156.09332	0.6
157.10100	2.3
159.08096	1.3
159.11690	0.5
161.05965	1.9
161.09596	1.6
163.07547	0.5
165.05244	0.7
165.06999	0.4
169.10123	0.9
171.08049	1.2
171.11679	2.3
173.09621	1.1
173.13319	0.8
177.09084	0.5
178.07852	0.3
179.10637	0.4
181.10153	0.4
183.11681	2.4
185.09660	1.1
185.13245	2.5
187.07677	0.5
187.11208	0.7
189.09019	0.9
189.12910	0.4
193.10031	0.5
198.10410	0.5
199.11201	1.3
207.11710	0.5
209.09645	0.4
211.11263	1.3
213.12747	6.2
217.08572	1.2
220.12758	0.4
221.13409	0.4
223.11176	0.5
231.05705	0.4
231.13867	1.0
235.11179	0.4
241.12115	1.0
243.13734	0.4
245.13364	0.4
245.15523	0.5
255.13626	0.3
257.13367	0.6
259.13330	0.4
260.14090	0.4
261.12628	0.4
272.96021	0.3
273.14703	5.6
281.11658	0.6
283.13116	0.4
291.15979	1.1
301.14142	0.8
313.14044	0.8
315.15826	0.8
326.60507	0.4
331.15030	1.8
341.13715	0.9
345.18326	0.5
351.18033	0.4
357.17487	0.6
359.14664	3.5
373.16928	0.8
374.17328	0.6
375.17688	3.2
389.21109	0.4
395.92041	0.4
403.19012	0.4
421.20261	0.4
435.21436	0.6
459.21530	1.3
519.23297	2.3
537.30267	0.4
539.31085	1.1
581.25354	0.5
606.57056	0.3
641.27240	100.0
642.27435	4.3
701.36719	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	701.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.8
57.07079	1.8
63.05968	1.2
64.71986	0.9
67.05505	7.5
69.07077	2.3
71.08639	1.6
71.56293	1.1
72.09641	1.0
73.49817	1.1
79.05483	2.9
81.03420	1.7
81.07075	4.2
83.04975	2.3
83.08648	1.9
83.35975	1.0
85.10173	1.4
91.05486	4.0
93.07063	2.5
95.08611	3.8
97.10202	1.9
100.85624	1.1
101.24947	1.0
103.05466	2.7
105.07043	2.7
107.08611	1.5
109.10162	4.1
117.07085	1.7
119.08627	2.6
119.65405	1.0
120.08113	1.9
129.46237	1.0
131.04945	5.5
133.10112	1.5
145.10185	1.9
147.08078	1.8
171.11732	2.0
173.13184	1.1
208.10034	1.2
209.10750	1.3
211.12473	1.1
221.10684	1.3
223.12317	1.3
225.13820	1.0
239.11713	1.3
244.05931	1.3
249.10072	1.3
250.10925	1.6
251.11903	2.5
253.13385	1.5
263.11823	2.6
265.13467	2.0
271.10934	1.1
276.11594	1.2
290.13068	2.7
304.14383	1.2
313.27567	2.5
324.14035	1.5
332.14008	1.4
353.17722	1.4
362.15692	1.4
367.19330	2.0
381.17184	2.2
391.15613	2.9
393.17157	3.1
394.17816	1.7
395.18921	3.2
396.19550	3.5
397.20392	5.1
405.16977	1.7
407.18756	1.9
423.17691	2.1
424.19043	2.0
425.19705	5.5
433.16245	1.4
434.17288	3.7
436.19284	1.5
437.19885	2.9
439.21515	1.5
451.22342	2.3
452.21887	1.6
454.23822	1.3
461.20468	1.6
462.16449	7.7
467.20779	1.5
467.37387	6.1
469.22836	1.3
479.21124	2.2
480.22012	1.8
482.23495	5.8
483.24188	5.6
484.25266	1.5
489.19739	3.4
493.22562	2.1
494.19055	7.2
495.20279	1.6
507.20416	1.9
508.17957	1.9
510.22491	3.2
511.23712	6.3
512.24445	12.9
521.22125	2.5
522.18994	2.2
525.25342	2.1
526.25604	2.6
535.23840	1.2
538.22528	1.5
539.22974	4.4
540.24310	1.3
548.20776	3.2
549.21313	2.3
553.24475	3.0
554.25128	4.4
563.23077	1.3
567.22174	1.6
577.20728	4.6
581.23798	6.6
585.70502	1.2
595.22552	2.0
598.24261	4.8
599.25159	5.6
608.22565	7.8
609.23877	3.5
613.26556	4.6
623.25122	3.9
626.23511	11.6
627.24438	11.6
641.26129	20.3
642.26654	1.5
651.24359	11.5
669.25543	46.4
670.26019	1.8
680.73083	1.2
701.28149	100.0
701.46655	3.9
702.28540	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	700.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	7.5
57.03451	5.4
57.07081	41.1
61.02935	15.7
67.05514	15.4
69.03423	1.6
69.07079	9.1
71.08637	32.3
71.55433	1.3
73.02925	6.7
75.04483	1.5
78.87838	1.1
79.05486	2.7
81.03419	1.6
81.07065	19.2
83.04989	1.1
83.08629	10.6
85.02914	20.7
85.09715	1.8
85.10188	19.1
88.51620	1.2
89.06047	1.1
91.03970	15.3
91.05487	1.4
93.07043	2.3
95.08614	27.8
97.02882	9.7
97.10174	10.7
99.04467	1.2
105.07024	2.0
109.10164	14.1
111.11729	3.0
115.03918	1.3
118.72911	1.2
123.11734	6.8
127.03917	5.4
136.06223	5.2
136.07059	1.2
137.13257	1.8
145.04988	7.2
151.14803	1.3
163.06003	12.4
165.16353	1.4
184.07297	1.7
267.26846	22.1
271.22150	1.3
285.27951	3.4
341.30527	100.0
342.30954	2.2
359.31589	41.5
429.25668	1.1
642.82825	1.1
700.44916	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01867	5.2
55.05499	14.3
58.99474	3.9
67.05501	10.1
68.05016	4.8
69.03414	17.4
69.07058	5.2
70.06600	46.7
70.45502	3.7
79.05482	12.9
81.03410	7.4
81.07085	21.1
82.02934	17.0
83.04993	23.9
84.04480	5.3
85.02900	5.1
86.06070	32.9
87.04466	17.0
91.05486	21.9
93.07075	23.2
93.07545	4.1
95.04954	10.2
95.08588	15.7
96.08123	5.9
97.06520	6.1
98.06067	93.3
103.05442	6.9
105.03388	6.3
105.07020	28.2
107.04955	5.2
107.08575	15.5
109.06548	7.0
109.10157	8.3
115.05457	14.6
116.07053	4.8
117.07032	72.8
119.08587	44.8
120.91203	4.5
121.06488	8.6
121.10130	7.7
122.06017	19.9
123.08043	5.5
124.07574	8.0
128.06195	10.3
129.07001	23.5
131.04950	19.8
131.08568	31.4
131.12099	3.9
133.10150	29.8
135.08005	11.5
137.09618	5.9
141.06966	6.9
142.07758	13.5
143.04909	5.9
143.08572	26.9
145.06468	26.4
145.10156	27.0
147.08032	17.4
149.09608	6.3
150.05519	25.6
155.08583	15.1
156.09332	18.2
157.06459	4.9
157.10156	41.7
159.08054	18.3
159.11699	14.0
161.09601	18.1
161.13298	4.0
163.11220	7.0
165.07019	6.3
167.08553	11.0
168.06561	19.1
169.10181	20.7
170.10904	20.2
171.08047	17.8
171.11702	68.6
172.08923	5.9
173.06036	5.8
173.09618	27.1
173.13268	8.8
179.08606	7.7
181.10057	14.2
183.08061	11.6
183.11707	58.8
184.08823	6.6
185.09607	19.5
185.13269	58.6
186.09036	7.7
187.11151	8.3
193.10088	10.3
195.08031	6.7
195.11725	14.1
197.09717	20.0
197.13271	14.1
198.10419	8.3
199.11212	33.3
201.12711	8.6
202.12294	27.1
207.11723	12.7
209.09630	9.0
209.13219	9.6
211.11148	14.2
213.12747	80.3
214.12405	7.3
217.10228	6.9
221.09602	5.2
221.13200	10.0
223.11214	12.5
228.10190	12.1
229.10139	7.2
229.12151	7.2
229.30264	6.2
230.11806	35.9
231.11792	9.5
231.13824	9.1
232.12701	5.6
233.13211	7.1
235.11133	6.4
235.14810	6.7
236.11902	5.1
237.12729	7.6
241.12279	6.4
243.11662	10.2
243.13876	6.3
244.12584	12.6
245.13197	6.8
245.15393	20.4
246.11322	4.8
246.13902	6.0
247.11122	7.5
247.14886	10.8
248.12920	38.7
248.15349	7.6
249.12788	8.1
249.16533	6.7
251.14590	4.7
256.12411	5.9
257.13196	10.0
258.11301	6.9
258.14008	11.7
259.14984	21.7
260.12482	5.9
260.15237	6.6
261.12833	5.6
262.13956	9.5
263.14438	5.5
269.13028	6.5
271.14920	5.1
273.14471	23.9
274.10745	7.5
275.14359	9.4
276.12210	8.8
280.13223	5.4
281.13284	5.0
282.14230	5.6
283.14832	5.5
284.15573	5.2
285.12595	4.7
285.16394	9.5
286.13687	7.4
287.14218	8.3
290.13495	4.7
291.17496	6.9
297.12888	5.1
297.16467	12.0
298.14175	5.9
299.14417	8.9
299.18005	6.8
301.15869	21.1
302.16422	4.9
303.17352	6.6
310.13638	5.6
311.14191	5.2
311.17920	8.6
313.15717	7.4
315.17566	6.4
319.16895	7.9
327.17255	7.5
329.19031	8.5
339.17365	12.8
341.18771	5.2
343.16736	5.0
355.16748	8.6
357.18503	9.4
393.19229	6.8
421.20074	5.7
422.20068	4.2
424.22754	6.6
428.22134	17.0
442.23779	16.0
452.22067	8.6
458.22983	8.0
460.24918	7.7
468.81122	4.3
470.23416	32.0
476.24213	4.9
484.25043	9.4
488.24365	33.1
490.25455	6.9
502.26157	28.3
520.27197	32.4
530.24976	13.2
538.28094	6.3
539.26135	10.0
548.26514	24.1
552.25507	10.8
562.27936	6.7
566.27344	9.5
580.28754	14.1
590.27344	11.8
598.29919	16.2
608.28418	20.9
622.29852	6.5
626.29681	33.8
640.31622	21.1
650.29797	40.0
658.32269	100.0
668.30383	17.0
682.31964	30.2
700.33221	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	700.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59151	1.8
53.93652	2.1
55.01884	2.5
55.05511	8.6
67.05507	6.5
68.05034	1.9
69.03428	15.3
69.24957	18.1
70.06598	22.8
79.05494	8.5
81.07056	10.8
82.02917	3.9
82.07395	2.1
83.04986	11.7
84.04540	1.9
86.06074	22.5
87.04466	6.6
91.05478	12.1
93.07030	10.2
95.04979	13.8
95.08614	8.1
96.04488	3.6
96.08127	3.2
97.06544	4.0
98.06059	66.2
98.21606	1.9
103.05476	2.0
105.03368	2.8
105.07017	18.3
106.69859	2.0
107.04962	4.5
107.08615	6.4
109.06504	4.6
109.10171	2.5
109.79929	2.1
111.08107	1.8
112.03966	2.3
115.05476	7.1
116.07100	2.6
117.07019	20.3
119.08584	34.4
121.06550	5.9
122.06052	6.4
123.08091	4.2
124.07607	11.1
128.06277	5.2
129.07007	7.9
131.04887	4.2
131.08549	18.4
133.06511	5.7
133.10150	13.0
134.09695	2.9
135.08086	8.2
135.11700	1.9
138.05492	3.1
140.07071	2.9
141.06964	2.3
142.07794	9.4
143.08571	19.5
144.05705	2.2
144.09383	2.6
145.06467	24.7
145.10146	15.6
147.08047	12.5
149.09651	7.7
150.05511	2.1
150.09138	2.3
152.07077	6.7
153.07018	2.7
155.08600	7.7
156.09383	9.1
157.06517	2.7
157.10135	30.0
159.08057	20.5
159.11703	16.0
160.07574	2.1
161.05968	3.9
161.09650	8.9
162.09200	8.3
164.07065	2.9
165.06969	2.0
167.08588	5.3
168.06555	11.8
168.09386	3.9
169.10149	18.4
170.08229	3.2
170.10921	14.8
171.08112	7.5
171.11665	23.6
172.07617	2.5
173.06046	5.4
173.09641	17.0
173.13341	8.6
174.09184	4.5
176.10754	2.8
178.08649	2.8
179.08554	4.8
181.10164	8.4
182.08128	2.6
183.08208	3.7
183.11697	100.0
185.09612	15.0
185.13214	10.3
186.09132	3.5
186.10559	2.3
187.07532	3.6
187.11229	8.8
188.10722	2.9
189.09134	4.6
193.10176	7.8
194.10957	4.0
195.08188	3.0
195.11719	11.2
196.09193	1.9
197.09720	10.0
197.13333	4.2
199.07590	2.2
199.11240	9.0
200.10690	4.3
201.09171	4.3
201.12814	9.1
202.12300	17.6
203.10773	2.9
205.10205	4.3
206.11093	6.4
207.11665	11.1
209.09694	5.9
209.13313	8.8
211.11169	15.7
213.09148	5.9
213.12796	6.4
214.12486	5.3
215.08771	2.7
215.10658	4.7
216.13861	2.6
217.10257	4.9
218.11252	2.7
219.11879	3.4
220.12549	3.7
221.13367	8.3
222.13965	3.3
223.11200	4.2
223.14828	4.8
225.09221	3.5
225.12746	4.4
227.10751	5.1
228.10251	3.8
229.10278	2.7
229.12381	6.5
230.11749	17.2
231.11765	7.2
231.13800	2.7
232.12619	6.1
233.09868	2.3
233.13240	6.6
233.15396	2.4
234.14032	2.3
235.11200	5.8
235.14865	7.1
237.12886	3.8
237.16399	14.5
239.10751	2.6
239.14449	4.4
242.11670	4.0
243.13869	5.6
244.12526	3.4
245.11484	3.7
245.13570	3.1
246.11591	4.3
246.14189	9.6
247.11362	3.8
247.14874	14.5
248.12895	20.4
249.12943	5.0
249.16481	3.1
251.14371	4.8
251.18083	2.5
255.11711	2.1
255.13986	2.8
256.12589	2.8
257.13345	4.7
258.10825	2.0
258.14307	3.5
259.11276	2.4
259.14832	4.2
260.12418	3.3
261.16602	11.1
262.14548	5.2
263.14517	4.9
263.17810	2.2
264.12372	3.4
265.13052	2.6
265.15836	16.5
267.13882	3.5
269.13467	3.8
270.14240	4.6
271.14932	6.1
272.12494	2.6
273.12869	3.7
273.16364	4.6
274.13797	2.4
275.14520	6.5
275.18002	3.1
276.12225	3.4
279.14380	2.8
279.17526	8.1
281.15546	3.4
283.11154	3.2
284.15616	4.5
285.13083	2.0
285.16324	7.6
286.14270	4.5
287.14743	3.6
287.18002	3.4
289.15955	6.8
293.15509	2.8
297.12759	5.0
298.13947	5.9
299.14716	4.2
299.17911	5.0
301.15887	2.6
303.14178	3.0
303.17395	5.4
307.16949	11.3
312.15173	2.7
313.15866	9.6
315.17575	3.7
317.15356	2.6
317.18979	2.8
319.16968	3.1
321.18527	5.4
327.17627	11.0
329.19000	2.0
331.17102	6.5
335.16516	2.9
339.19812	3.9
341.15106	2.6
345.18558	8.2
355.17096	7.8
359.20111	4.3
367.19223	3.8
373.18030	3.0
377.21045	4.1
385.20169	4.5
387.19650	9.2
388.22775	2.3
405.20810	3.0
412.22968	4.7
415.19196	2.3
416.22318	7.8
423.21661	2.3
430.23807	6.0
433.20044	3.1
434.23495	2.2
440.22116	7.4
458.23285	13.2
463.23633	2.5
468.22055	3.2
472.24863	6.4
476.24319	12.9
486.22900	7.3
490.26050	17.0
494.25937	2.2
500.24899	4.0
504.23779	12.4
508.27011	18.0
510.28391	3.6
518.25513	15.0
522.25079	8.4
526.27808	6.2
531.26196	5.9
536.26373	35.7
554.27509	52.1
582.27130	2.6
594.30347	3.5
596.28436	9.6
614.29675	36.1
622.29974	16.0
640.31146	35.5
682.32654	8.8
700.33295	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.7
55.01873	1.5
55.05511	5.8
67.05502	3.1
69.03445	2.8
70.06575	1.9
70.99280	2.7
74.76673	1.1
79.05498	3.2
81.02227	1.2
81.03403	2.2
81.07076	1.5
83.04989	7.7
85.02892	1.7
86.06064	2.2
91.05491	4.7
93.07052	2.9
95.04967	10.6
95.08626	2.1
97.02844	1.3
98.06058	4.4
103.05479	48.2
105.03403	1.7
105.07031	6.6
107.04955	2.0
107.08627	1.9
109.06542	3.2
115.05462	1.6
117.07023	5.5
119.04955	1.7
119.08581	5.1
121.06507	2.5
121.44530	1.1
126.05526	2.7
127.72480	1.2
128.06200	2.3
129.07024	2.3
131.04939	100.0
131.08606	2.9
132.05223	2.1
133.06483	5.8
133.10107	3.1
135.08060	3.6
137.06004	2.3
141.06998	1.6
142.07838	2.6
143.08578	5.7
145.06519	4.4
145.10146	3.5
147.08067	4.0
149.06044	1.5
149.09634	1.9
151.07549	1.6
152.58736	1.2
155.08574	2.0
156.09331	2.8
157.10144	3.4
159.08060	4.4
159.11682	2.6
159.38133	1.4
161.05995	14.9
161.09740	2.2
163.07581	5.1
165.05496	1.2
169.06497	1.9
169.10176	3.1
170.10942	1.7
171.08011	3.4
171.11732	4.8
173.09618	4.6
173.13307	1.5
174.09998	1.3
175.07632	1.5
175.11137	1.3
177.05553	1.2
179.07115	1.6
179.08553	1.9
181.10030	1.9
183.08040	2.7
183.11714	4.3
185.06012	1.3
185.09630	3.1
185.13278	2.7
187.07588	3.6
187.11108	1.4
193.10106	2.1
195.08107	1.7
195.11900	1.2
197.09543	5.7
199.07550	4.0
199.11147	5.6
203.10651	1.8
209.09610	1.5
211.07666	1.4
211.11249	1.9
213.09137	4.0
213.12759	3.7
215.07030	1.7
215.10730	3.0
217.12183	2.0
219.11749	1.3
221.13345	1.2
225.09090	4.3
227.07007	1.6
227.10684	1.6
231.11961	1.5
241.08614	5.2
243.10133	2.7
245.13417	1.3
247.09692	1.5
247.14830	1.3
248.12816	3.1
249.12698	1.3
257.08096	16.2
258.08759	1.5
259.09555	6.7
275.09280	1.3
285.11295	2.8
301.10684	9.6
303.12274	8.7
319.11819	5.9
341.11649	1.3
401.13870	1.6
403.15189	2.2
433.16098	1.3
445.16595	2.4
449.15869	9.3
463.17508	5.7
467.17096	1.7
469.18265	1.9
481.18488	8.5
499.19418	7.0
517.20502	4.4
593.21417	1.8
600.28705	1.4
610.17151	1.3
611.22644	3.4
629.23859	5.3
647.24969	3.3
668.32776	1.5
700.34833	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	700.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85493	1.9
53.03949	3.8
55.01881	3.6
55.05511	17.6
62.24074	1.9
67.05499	6.0
67.64858	1.8
69.03427	2.7
69.21380	21.1
70.06601	5.4
79.05479	6.4
81.03432	3.3
81.07046	4.0
82.02958	4.4
83.04995	27.3
84.05326	4.3
86.06084	4.9
87.04497	3.0
91.05490	9.2
93.07056	5.3
95.04974	16.1
95.08615	5.0
96.60424	2.0
98.06082	20.3
103.05465	42.5
105.07042	13.6
107.04934	3.8
107.08607	5.6
109.06544	4.4
115.05450	9.1
117.07005	13.3
119.08572	9.4
121.06483	3.2
122.06071	3.0
124.07548	2.9
126.05491	15.4
127.05853	4.9
128.06245	5.7
129.06996	8.8
131.04935	100.0
131.08583	10.7
133.06505	12.3
133.10201	4.3
135.04390	2.4
135.08064	6.0
141.07027	3.0
142.07816	4.9
143.08575	9.8
145.06490	11.7
145.10120	9.5
147.08040	4.6
149.05946	2.3
149.09641	3.3
150.05547	6.3
155.08565	3.8
156.09280	4.4
157.06480	4.4
157.10132	13.3
159.08080	6.3
159.11674	8.0
161.06006	19.8
161.09595	3.2
163.07561	8.2
165.07079	2.4
167.08566	5.1
168.06535	5.9
169.06519	4.3
169.10168	9.8
170.10945	2.9
171.08122	2.8
171.11705	11.7
172.12053	2.6
173.09616	7.8
173.13385	2.4
179.07013	2.5
179.08516	3.2
181.10068	3.9
182.07199	2.8
183.08121	2.7
183.11748	10.1
184.08731	3.3
185.09630	8.2
185.13304	5.4
186.13547	4.4
187.07526	3.0
187.11256	5.2
188.10751	6.0
193.10152	3.8
195.11668	2.1
197.09576	8.3
199.07561	5.8
199.11215	12.8
201.09123	4.0
201.12778	4.7
202.12334	4.6
205.08484	2.4
207.11858	7.3
209.09570	2.6
211.07527	3.0
211.11143	4.8
213.09196	5.5
213.12726	7.2
214.12965	6.1
215.10640	5.3
217.12209	3.5
218.10938	2.1
221.09660	3.2
221.13165	4.4
223.11163	2.5
225.09093	6.2
227.10721	2.6
229.12294	2.8
230.11810	5.0
231.11740	3.5
232.12323	3.3
241.08673	8.2
241.12247	2.3
243.10027	4.0
243.13933	2.7
244.12431	3.0
246.11198	3.0
246.13748	2.6
247.14819	4.2
248.12935	10.6
251.10768	2.9
255.10295	3.0
257.08090	21.1
257.13388	2.5
259.09555	14.7
260.12238	2.9
271.09644	3.4
275.09109	3.6
285.11380	3.6
289.15915	5.0
301.10803	16.7
303.12286	13.2
315.13943	2.9
319.11682	7.7
321.13220	3.1
327.17169	2.6
385.14444	2.8
403.15219	4.6
412.22223	2.3
419.14664	3.2
421.16379	2.6
429.22293	2.2
430.23328	3.5
433.16068	2.6
440.22144	2.5
446.23041	3.1
448.24326	3.3
449.15848	8.5
451.17447	3.1
458.23221	6.9
462.24719	2.3
463.17526	8.1
472.24420	3.0
480.25854	2.2
481.18787	11.6
488.63309	2.5
490.25778	3.7
499.19443	10.1
504.23831	6.8
517.20703	3.5
518.25403	6.6
522.25073	2.3
536.26514	5.2
611.22412	4.0
629.23499	4.0
647.24225	2.3
668.32068	8.2
682.33691	3.9
700.35632	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	700.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.05519	0.8
69.03410	1.9
69.30281	5.5
69.30621	1.2
79.05497	2.0
80.05026	1.3
81.03394	1.1
82.06591	1.6
85.02916	3.4
91.05492	1.9
93.07045	4.9
94.06567	5.9
95.04980	0.8
95.07343	5.2
96.08135	13.1
97.02887	1.5
97.06529	1.5
108.04470	3.7
108.08125	11.1
110.09689	21.2
112.51497	0.6
116.04984	1.6
118.06596	1.0
120.04456	4.3
120.08113	16.7
121.06509	0.6
121.84095	0.6
122.06026	3.1
123.06767	0.7
124.07577	4.5
127.03911	1.3
134.06039	0.8
136.07593	7.9
137.05995	0.7
138.05518	3.2
138.09145	35.6
144.04469	5.3
146.06029	4.7
148.03938	0.8
148.07574	5.3
150.09178	1.6
152.07027	1.2
160.03973	1.9
160.07489	0.8
162.05499	2.4
166.05009	3.6
166.08647	57.7
171.18750	0.7
172.03943	27.6
174.05585	1.2
178.04991	2.0
180.06584	1.1
190.04993	12.6
197.10748	0.9
204.06578	10.8
209.10764	1.4
210.78659	0.8
211.08784	0.9
211.12300	1.3
212.09523	1.9
216.06511	0.9
222.11469	1.0
223.12314	0.9
224.09515	1.8
225.10286	2.3
227.11815	1.9
235.12218	0.7
236.09407	1.8
237.10281	9.7
237.12509	1.2
238.11000	1.4
239.08141	1.5
239.11838	2.4
241.09756	2.4
245.12907	1.6
247.14478	3.6
249.10136	1.1
250.11099	1.0
251.08197	1.2
251.11760	6.6
252.08946	1.6
252.12582	1.3
253.09673	4.7
253.13564	1.2
255.11365	2.8
260.05490	0.7
263.11771	1.2
264.08908	0.8
265.09756	15.7
266.10535	2.9
267.11270	3.8
268.08499	0.8
269.09216	0.9
269.12717	1.0
271.10788	3.4
273.12439	4.2
278.06482	5.2
279.11276	9.5
280.08582	1.8
280.11920	1.2
281.09360	1.6
281.12888	2.3
283.10748	3.9
285.12286	1.3
289.09943	0.9
292.08170	1.9
293.09229	15.8
293.12363	1.3
294.10037	3.2
295.10782	1.8
296.11536	0.8
297.12296	7.3
299.10339	3.0
299.13535	0.7
300.11163	1.5
307.10742	4.1
309.12228	3.4
311.10352	2.4
312.11136	2.7
313.11874	5.7
323.10187	1.1
325.11816	18.9
327.13397	1.2
335.10342	9.3
340.10559	2.5
341.11316	16.1
353.11371	11.6
357.14548	4.9
373.13937	9.4
385.13892	5.6
418.17688	1.0
432.18802	1.0
436.18936	1.3
437.19540	0.9
460.18900	1.4
465.19006	7.0
478.19873	4.1
488.18277	6.4
492.21527	0.9
506.19254	100.0
507.19461	2.4
510.22217	1.2
520.20862	2.0
538.21881	29.6
539.22314	1.1
668.24005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.05500	0.8
60.28860	0.3
67.33727	0.3
69.03458	0.4
69.33088	2.1
79.05486	1.1
81.07057	1.4
83.04977	0.8
90.76037	0.3
91.05496	0.9
95.04990	0.6
100.11292	0.4
103.05494	2.3
105.03393	1.3
105.07036	0.6
107.08597	0.5
109.06527	0.7
117.07071	0.5
119.08614	0.6
123.08010	0.3
131.04935	4.2
131.08531	0.3
133.03506	0.6
133.10164	0.6
135.08067	0.4
137.07542	0.3
143.08612	0.5
145.06503	0.4
147.08057	0.9
149.83580	0.3
157.10159	0.6
169.10133	0.6
171.11731	0.9
173.09645	0.4
175.07690	0.3
183.11778	0.4
185.04271	0.5
185.13248	0.8
199.11188	0.4
213.12851	0.6
223.11310	0.5
301.20209	1.0
347.09671	1.0
391.18567	0.3
396.30185	0.3
537.30377	20.5
538.30865	0.8
617.20251	0.6
649.22357	0.5
667.24396	0.9
699.35681	100.0
700.36102	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	699.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.2
55.01872	3.5
55.05511	63.7
57.07071	11.8
66.80180	2.0
67.05508	4.3
69.03404	3.0
69.07066	4.3
79.05475	12.9
81.03383	3.8
81.07041	6.4
83.04981	100.0
84.04497	3.8
84.05302	4.8
91.05477	23.0
92.57520	2.1
93.07034	13.0
95.04966	8.8
95.08596	9.7
98.21533	4.4
103.05465	47.1
105.03384	7.8
105.07032	30.4
106.79844	2.0
107.04939	6.5
107.08602	11.5
109.06532	6.9
113.94875	2.1
115.05468	8.2
117.07011	16.3
119.04977	4.2
119.08575	34.7
121.06496	5.5
121.10123	6.8
123.04520	2.5
128.06216	7.0
129.06999	10.3
131.04927	91.5
131.07726	2.3
131.08580	21.9
133.06493	12.5
133.10124	24.3
135.08037	10.3
137.05997	2.7
141.06995	5.8
142.07733	7.5
143.08577	22.5
144.09286	3.6
145.06506	12.7
145.10135	16.2
147.08037	23.7
147.11671	2.5
149.09624	12.7
151.07529	2.9
153.06923	3.5
155.08553	10.2
156.09349	16.4
157.06532	3.2
157.10147	32.8
159.04485	3.1
159.08049	13.9
159.11719	18.1
161.05951	21.4
161.09630	16.0
163.07539	10.0
165.06987	4.5
165.09146	2.4
166.07692	4.0
167.08571	7.4
168.09377	4.0
169.06424	2.8
169.10114	19.8
170.10873	9.9
171.08035	10.2
171.11690	60.4
172.08736	3.7
172.12166	3.2
173.05934	8.2
173.09698	11.6
173.13254	10.6
175.07483	12.8
175.11205	4.6
177.05469	3.1
177.09067	6.1
179.07059	2.5
179.08560	5.5
181.10098	7.5
182.10812	2.8
183.08037	6.1
183.11697	42.8
184.08759	3.6
184.12027	3.7
185.09650	14.4
185.13264	23.4
187.03914	3.0
187.07503	6.5
187.11140	8.5
189.05466	6.9
189.09120	4.1
191.07028	6.4
191.10620	5.2
192.09441	2.3
193.08537	2.9
193.10124	8.2
195.11688	13.1
196.08716	3.5
197.09572	12.1
197.13240	13.3
198.10347	5.2
199.07603	5.2
199.11180	29.4
200.11765	3.8
201.09102	3.1
201.12715	6.6
203.06995	4.7
203.08795	2.9
203.10594	2.8
206.10876	3.4
207.08101	3.5
207.11711	7.3
208.08899	2.8
209.09668	5.6
209.13319	5.9
211.07533	3.6
211.11214	13.8
213.09181	5.7
213.12762	21.6
215.10626	5.7
217.08580	7.6
217.12206	6.2
218.10828	2.8
219.11771	5.8
220.12396	5.0
221.13211	9.7
222.14279	2.7
223.11197	5.8
223.14883	5.1
225.09053	6.2
225.12747	4.7
227.10664	5.5
229.10300	3.7
229.12128	10.5
230.10966	3.7
231.11737	5.8
231.13792	18.5
232.12471	5.0
233.09674	4.0
233.13165	5.6
235.07489	2.5
235.10944	4.0
235.14746	6.0
237.12686	5.3
239.10629	3.8
241.12306	8.1
242.10875	3.9
243.11823	4.4
243.13904	5.0
244.12440	5.7
245.13408	6.4
246.10245	3.5
246.13922	4.4
247.11147	5.0
247.14731	7.6
249.12820	3.7
251.10822	2.5
251.14360	3.7
254.10815	2.7
255.11659	9.8
256.12448	6.6
257.13440	5.7
258.13937	6.7
259.13013	17.0
261.12503	5.1
262.16739	3.4
265.12216	4.1
269.13434	4.8
270.13965	5.8
271.14746	6.1
272.15402	4.2
273.12564	5.0
273.16248	3.9
275.14661	3.9
277.15744	3.0
279.17047	2.8
283.14737	4.3
284.15488	3.1
285.07758	3.6
285.12732	2.9
285.16333	6.5
286.13269	2.7
287.10931	2.4
287.14188	9.1
287.17590	4.4
288.14978	3.2
289.12585	2.4
289.15906	6.2
297.12769	5.7
298.13367	3.0
299.14352	5.0
299.17560	4.9
300.14813	3.6
301.12460	4.0
301.15829	6.8
303.13885	4.5
303.17407	7.1
305.14987	2.7
312.14795	2.8
313.12360	3.3
313.15768	11.3
315.13727	4.4
315.17365	3.9
317.11801	2.5
317.18909	4.2
325.12292	3.4
326.13046	3.1
327.17331	8.1
329.15317	6.7
330.16187	4.0
331.16882	11.5
340.14508	2.6
341.15347	7.1
343.16760	4.8
345.18338	14.1
347.16379	4.4
349.17911	7.8
355.16922	12.4
359.16464	14.9
361.17877	2.7
363.19440	8.8
369.20633	13.7
371.16370	6.0
373.17984	27.0
375.19513	6.6
377.17404	6.1
383.16345	10.2
389.17136	11.0
391.18906	22.7
401.17468	39.4
405.20731	4.8
407.18546	5.7
409.20078	9.5
419.18518	57.3
433.19946	8.5
437.19580	36.1
451.21103	5.4
455.20328	2.6
479.20642	11.7
487.22980	3.0
497.21695	13.8
515.22729	10.3
516.22784	3.8
539.24493	3.2
540.23077	3.9
557.25793	3.2
581.26697	5.7
597.26422	3.5
599.27594	15.3
617.27332	3.1
639.29315	2.6
699.31500	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.5
50.56830	0.6
51.02382	1.0
53.03940	1.6
55.01882	3.8
55.05515	1.2
65.03925	0.6
67.05494	1.1
69.03432	16.2
69.07070	1.2
69.42249	4.4
74.43360	0.5
77.03932	0.9
79.05489	2.4
81.03418	3.0
81.07088	0.9
83.04990	0.6
91.05487	9.4
93.07049	2.6
95.04967	4.2
95.08621	1.0
97.06548	0.9
98.21484	1.1
99.04465	0.7
102.04678	0.7
103.05477	51.3
105.04480	1.1
105.07034	5.7
107.04951	2.0
107.08580	2.4
109.06541	0.8
115.05460	3.7
117.07028	6.5
119.04962	0.7
119.08585	8.8
121.06504	1.0
121.10140	1.6
122.56192	0.6
128.06248	3.3
129.07016	6.7
130.07794	1.1
131.04938	100.0
131.08565	6.7
133.06526	0.9
133.10123	6.3
135.08084	1.7
141.07021	1.9
142.07756	3.5
143.08572	6.5
144.05692	0.7
145.06493	7.2
145.10144	5.8
146.07283	0.8
147.08057	22.4
147.11714	1.1
149.09624	1.5
153.06943	1.1
154.07710	0.7
155.08551	3.2
156.09390	4.4
157.10153	10.0
158.07277	1.5
158.10844	0.6
159.08063	13.2
159.11700	2.3
161.09639	10.4
163.07588	3.0
165.07014	2.3
167.08578	1.5
168.09428	0.6
169.10176	4.1
170.10896	2.8
171.08061	2.4
171.11708	16.1
173.06004	1.9
173.09633	7.7
173.13257	1.1
175.07576	5.6
175.11244	1.3
177.09087	0.9
179.08580	0.6
180.09306	0.8
181.10143	2.0
182.10860	0.7
183.08144	1.4
183.11699	10.1
185.09648	6.2
185.13257	8.3
187.07578	3.5
187.11198	3.0
187.14999	0.7
189.09151	1.1
191.10741	1.5
192.09312	1.1
193.10170	1.5
195.07936	0.9
195.11716	2.4
196.08847	1.0
197.09642	3.7
197.13245	2.6
198.10384	1.3
199.07671	0.7
199.11185	9.2
200.11998	1.3
201.09177	1.8
201.12779	1.6
203.10703	1.8
205.10197	0.8
207.11717	1.9
209.09645	0.9
209.13245	1.4
211.11270	1.7
213.09158	1.6
213.12762	8.9
215.10675	4.0
217.08533	1.3
217.10353	1.1
217.12268	2.0
218.11079	0.8
219.11781	1.1
221.09590	0.6
221.13271	1.5
222.14035	0.6
223.11209	2.2
225.09082	0.7
225.12767	0.7
227.10715	1.7
229.10246	1.1
229.12170	3.3
230.10976	0.9
231.10085	1.6
231.11794	1.2
231.13779	13.9
232.08766	0.9
232.12445	0.8
233.09583	1.0
233.13333	1.2
235.11249	1.3
235.14839	1.0
235.47981	0.7
237.12778	1.5
239.10634	1.3
241.12245	7.0
242.10962	0.6
243.10236	1.8
245.11568	1.3
245.13614	0.9
246.10287	0.7
246.14084	1.1
247.11179	1.8
247.15134	1.0
249.12726	1.4
253.09839	1.0
253.12381	0.9
254.10858	0.7
255.11873	0.8
257.13474	0.9
259.10980	1.1
259.13266	9.8
260.11841	0.9
261.12781	1.5
263.14389	0.8
265.12347	1.0
269.13232	2.0
271.14902	1.3
272.11801	0.9
273.12784	1.1
275.14282	1.3
277.15762	0.6
279.13934	1.2
283.11319	1.4
283.14737	1.3
284.11969	1.0
284.15512	0.8
285.12689	1.7
285.16074	0.9
287.14252	1.9
289.12546	0.8
289.15872	1.3
291.13562	1.1
296.12006	1.1
297.12680	1.8
298.13394	0.9
299.14322	1.6
300.14951	0.9
301.15759	1.9
303.14005	0.9
303.17505	1.0
308.15170	0.8
311.14243	1.7
312.15118	1.7
313.12280	1.1
313.15875	1.7
314.13028	0.7
315.17404	1.9
317.18958	1.2
326.16800	0.9
327.13922	0.9
327.17422	4.2
328.18393	1.0
329.15302	2.4
329.18887	1.1
331.16956	0.9
331.20782	0.8
339.13834	1.0
340.14444	0.7
341.19153	2.2
343.16974	0.8
345.14920	0.7
345.18561	2.3
347.16794	1.1
357.18497	1.4
359.19934	3.4
369.18475	6.2
375.19482	3.5
377.21194	3.3
387.19571	17.6
405.20621	16.0
422.25070	0.6
423.21878	1.1
447.21893	2.6
455.22235	1.0
465.22739	7.4
473.23242	1.2
491.24377	0.9
533.25348	2.5
551.26746	2.8
681.31378	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01870	0.7
55.05506	0.8
57.03446	0.5
61.83415	0.5
67.05508	6.9
67.54778	0.5
69.07064	1.8
70.12576	1.9
79.05492	4.6
81.07067	5.8
83.05009	0.5
83.08615	0.9
91.05477	5.7
93.07041	4.5
94.06563	0.6
95.04955	0.5
95.08597	2.6
97.06562	1.1
105.07031	3.8
107.08603	1.8
109.06506	0.6
109.10134	0.9
115.05439	0.5
117.07008	1.4
118.06531	0.5
119.08584	2.0
119.98854	0.4
121.10159	3.4
125.09628	0.7
129.07088	0.6
131.08577	2.8
133.10152	2.1
134.06015	1.0
135.08092	1.1
135.11713	1.9
143.08542	0.7
145.10147	2.5
147.11691	1.0
149.09671	0.8
157.97298	0.7
158.09660	0.5
159.11716	1.7
171.11763	1.1
177.12778	1.8
178.05125	0.6
207.09279	0.9
209.10754	1.2
211.12415	0.5
212.71608	0.5
219.09134	0.7
221.10835	1.5
223.08687	0.8
223.12315	1.3
224.13213	0.5
225.10115	0.8
225.13976	1.4
235.08800	0.5
235.12344	1.4
237.10233	1.1
237.13953	2.1
238.14607	0.5
239.08354	0.6
249.10246	1.3
249.13748	0.9
253.13483	0.7
257.19077	1.2
259.20758	1.1
263.08221	0.6
263.11819	1.0
265.09894	1.0
269.09149	0.6
269.12665	0.5
275.08154	0.7
275.20187	1.9
276.46384	0.6
279.11267	0.5
288.11661	0.5
295.14517	2.0
324.11362	0.7
326.13055	0.5
327.13937	0.5
329.11969	0.6
333.24329	1.9
338.12918	0.9
340.14597	0.6
341.11777	1.0
342.12476	0.9
349.23758	1.5
350.13242	0.5
351.25378	0.6
354.12534	1.1
356.14111	0.7
366.12546	0.6
367.24542	0.6
388.13132	0.8
403.15436	1.1
413.17755	0.6
414.14883	0.6
415.15289	0.7
416.16324	1.2
417.16946	1.2
423.27414	1.0
427.20020	0.7
429.17529	1.1
430.18365	0.7
432.19775	0.6
440.16391	0.7
441.17148	2.1
442.14255	0.7
443.15125	1.6
443.19836	0.6
445.20734	1.2
446.21088	1.0
447.21893	0.6
449.19659	0.7
455.18744	1.1
457.15857	2.8
458.17145	1.9
458.22354	0.8
459.18396	1.9
461.20041	0.7
463.21631	0.7
468.16052	0.6
469.16006	0.6
471.22205	3.1
473.19760	3.9
474.20334	1.9
475.21478	1.1
477.19415	0.8
483.18106	1.3
485.16226	1.5
487.22083	4.6
488.22305	1.8
489.19257	1.9
490.19867	0.7
497.20068	1.0
498.20050	0.6
499.21930	5.6
501.19196	8.0
502.20303	2.5
505.22000	0.7
515.20911	10.8
516.21655	8.6
517.22784	2.8
518.19525	0.8
519.24445	0.6
526.20142	1.2
527.20795	1.6
531.24182	0.8
533.21832	4.3
543.20837	1.3
544.21606	0.8
545.18433	0.6
547.23633	3.5
548.23969	0.6
557.21924	1.7
561.21155	0.9
571.19427	0.5
575.22919	9.5
576.23676	0.7
579.25940	1.7
586.22089	3.2
589.24469	0.6
603.22607	0.8
607.25238	3.7
617.23773	4.0
618.24524	0.8
635.25031	100.0
636.25446	4.1
637.23633	0.5
639.28265	1.4
649.26563	19.0
650.26733	0.9
667.27734	21.5
668.28284	0.8
681.46790	0.6
699.30725	3.6
699.49432	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18919	1.6
54.52698	1.5
55.05509	1.9
59.91827	1.4
67.05495	6.6
69.07067	2.9
71.56517	1.8
75.04486	4.9
79.05496	6.4
81.07062	6.2
82.07382	1.5
91.05485	3.4
93.07045	5.0
95.08597	4.5
97.43169	1.6
103.51665	1.5
107.08593	2.7
109.10164	2.3
119.08591	2.0
121.10159	2.2
127.18541	1.5
131.08551	2.0
133.10194	1.7
134.05965	7.3
136.06207	4.0
152.33426	1.5
201.10263	3.1
205.75926	1.7
211.08618	1.6
231.84805	1.6
239.11824	2.1
241.13330	2.2
253.13385	2.3
255.14998	2.1
279.14667	1.7
285.12131	1.5
338.12894	2.0
355.13181	1.8
356.14325	2.0
363.09808	2.4
366.12143	2.3
416.16232	2.0
417.16888	2.5
449.19781	1.8
457.16861	2.0
473.19757	3.2
487.21332	2.6
489.19263	2.5
507.20526	2.1
515.20807	4.6
532.20245	1.8
533.21967	2.8
547.23358	5.2
575.22546	3.3
592.22833	2.8
593.23102	2.3
596.22693	2.6
607.25415	3.0
617.24261	8.8
635.25128	13.1
639.28204	3.1
649.26825	13.9
667.27637	100.0
668.27881	6.7
681.29010	2.7
699.29968	42.1
699.43927	12.1
700.30066	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	699.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12070	2.3
53.03935	5.4
55.01869	8.7
55.05516	61.0
60.83409	2.2
67.05494	7.4
69.03426	5.2
69.07070	3.1
70.58757	2.0
71.55289	2.6
78.32116	1.9
79.05486	9.2
81.03416	5.5
81.07047	4.4
83.04988	100.0
91.05483	15.7
93.07053	8.0
95.01333	3.5
95.04984	15.4
95.08601	3.0
97.02914	2.8
103.05460	14.6
105.03410	10.7
105.07040	26.7
107.04946	3.4
107.08590	7.0
108.78083	2.2
109.06510	4.0
112.60523	2.1
115.05458	7.6
115.81589	2.4
117.07024	8.7
119.04958	4.8
119.08550	9.2
121.06526	7.6
123.04416	4.0
123.08047	4.2
128.06233	6.2
129.07019	11.1
131.04921	22.3
131.08585	13.0
133.06514	22.9
133.10100	4.7
135.08035	4.8
137.05943	4.4
141.06975	6.9
142.07794	6.9
143.08583	15.6
145.06535	10.7
145.10120	4.4
147.08069	8.4
147.11627	2.7
149.06004	4.5
151.07465	3.0
153.06964	2.6
154.07747	6.9
155.08548	7.7
156.09367	13.4
157.06479	5.0
157.10167	15.5
158.07272	4.4
159.08072	10.5
159.11705	6.8
161.05995	37.4
161.09596	4.4
163.07535	8.9
165.07021	6.4
166.07715	4.0
167.08563	4.0
168.09494	2.4
169.06462	5.0
169.10146	10.9
170.10875	4.3
171.08015	9.0
171.11693	18.9
173.05965	5.8
173.09622	6.3
175.07466	3.3
177.09100	3.5
179.07085	3.3
179.08533	4.7
180.09340	2.9
181.10075	7.2
182.07227	4.6
183.08069	7.9
183.11662	8.8
184.08798	8.9
184.12360	3.1
185.09613	8.3
185.13295	4.9
187.07545	9.1
187.11169	5.9
189.09048	4.6
191.08665	2.5
192.09399	2.6
193.06412	2.8
193.10155	4.2
195.08104	3.5
195.11690	6.2
196.08662	3.2
197.09648	17.7
197.13213	2.7
198.10310	2.8
199.07478	5.2
199.11211	36.4
201.09160	3.7
203.06863	2.8
203.10672	3.2
205.08611	3.8
206.10893	3.6
207.08061	4.8
207.11794	4.8
208.08958	2.3
208.12552	2.3
209.09683	4.0
209.13278	4.0
211.07581	3.1
211.11205	4.8
213.09152	11.6
213.12683	6.0
215.06969	2.8
215.10699	8.1
217.08565	6.1
219.08231	2.7
219.11819	2.9
221.13289	4.0
223.07570	4.5
223.11197	7.2
223.14693	4.4
224.08327	2.5
225.09114	25.1
225.12712	4.6
227.10649	7.0
229.12209	5.1
231.11824	3.6
233.13235	2.6
235.07449	3.3
235.11273	3.0
236.12012	2.3
237.09187	4.1
237.12679	3.4
237.16357	6.8
239.10687	3.7
241.08620	7.6
243.10199	7.1
245.13290	4.4
246.14198	2.3
247.09459	3.3
248.12054	2.8
251.06995	2.2
251.10660	4.5
251.14465	4.9
253.08598	2.6
255.10106	4.7
257.08121	9.6
257.11563	3.7
259.09595	2.7
262.13690	2.5
263.14270	5.1
267.10086	2.6
269.13275	2.5
271.09552	3.8
273.16412	3.0
277.15915	3.4
279.10156	2.5
279.17471	3.8
285.11270	8.8
291.17194	2.9
299.14185	4.1
301.10742	8.7
303.12338	7.0
303.17548	3.1
307.16885	3.7
309.11264	2.9
315.13660	3.3
317.15512	2.5
319.16843	3.2
329.15332	4.4
331.17010	5.2
357.14679	4.7
369.20270	4.1
371.16422	2.5
373.14294	5.1
375.19727	2.9
377.17514	5.2
379.19241	4.1
385.16815	3.6
389.17410	4.4
391.15091	4.0
395.18802	4.2
403.15027	4.8
407.18805	2.8
411.02682	2.5
419.14508	3.8
425.19574	2.7
431.14764	4.5
433.16016	3.0
435.18054	4.1
445.16867	5.0
449.16052	4.2
451.17337	4.3
457.21924	2.5
463.17542	25.1
481.18771	13.4
485.22568	3.2
551.22607	4.3
563.22699	13.2
581.23706	13.3
599.24719	3.0
681.29285	3.5
699.28473	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	699.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01875	2.9
55.05517	13.9
57.07086	4.0
65.03926	1.4
67.05521	1.9
68.74448	0.7
69.03439	6.3
69.07047	1.8
69.92754	0.7
74.09726	9.5
75.10044	1.0
77.03906	1.1
78.24174	0.6
79.05508	4.2
81.03419	2.6
81.07055	1.9
81.85145	0.8
83.04990	21.3
84.08174	1.1
90.09160	0.7
91.05495	9.6
93.07059	4.0
95.04966	6.7
95.08632	1.8
98.21464	1.7
102.04636	0.8
103.05479	59.1
105.03414	3.0
105.04535	1.6
105.07041	9.7
107.04979	2.3
107.08593	2.9
109.06559	1.7
115.05494	2.5
117.07030	4.9
119.04937	1.8
119.08604	8.3
121.06525	2.2
121.10145	2.0
123.04435	1.1
123.08073	1.9
128.06248	4.0
128.17348	0.7
129.07060	4.0
129.73604	1.0
130.07794	1.1
130.08667	2.1
131.04941	100.0
131.08580	9.5
132.05309	1.0
133.06517	5.3
133.10130	5.7
135.04437	1.0
135.08058	3.1
137.05968	1.2
141.07013	2.4
142.07797	1.6
143.08604	7.5
145.06485	5.6
145.10106	3.9
147.08063	6.9
147.11636	0.9
149.05991	2.9
149.09642	2.4
153.05415	1.1
153.06970	1.2
154.07744	2.6
155.08582	3.7
156.09384	4.0
157.06506	1.6
157.10153	6.5
158.07301	1.3
159.08055	7.3
159.11743	2.9
161.06003	6.0
161.09628	4.4
163.07556	4.3
165.06996	2.5
166.07854	1.4
167.08641	1.8
168.09320	1.1
169.06427	1.7
169.10115	4.0
170.10901	2.2
171.08083	5.5
171.11728	8.3
172.08752	1.4
173.09615	6.5
173.13312	1.4
175.07625	2.6
177.05510	2.5
177.09094	1.4
178.07771	1.0
179.07047	1.5
179.08585	2.5
180.09317	1.0
181.10101	3.3
182.10954	0.9
183.08078	3.1
183.11691	6.2
184.08865	2.2
185.05969	1.6
185.09622	3.7
185.13251	3.2
187.07524	6.5
187.11197	3.6
189.05482	1.2
189.09142	2.6
191.08594	1.1
191.10706	1.0
192.09430	1.3
193.08572	0.8
193.10194	3.3
194.10944	1.1
195.08125	2.7
195.11694	3.2
197.09636	6.8
197.13297	1.2
198.10376	1.5
199.07547	2.9
199.11220	7.5
200.11946	2.7
201.09132	2.9
201.12799	1.7
202.07776	1.1
203.07014	1.6
204.09364	1.4
205.10188	1.7
206.10962	1.9
207.11725	2.6
209.09653	4.9
209.13321	1.8
210.10483	1.1
211.07603	2.2
211.11127	4.1
213.09131	2.3
213.12755	5.0
215.06941	1.4
215.08795	1.3
215.10692	2.1
216.09502	1.1
217.08513	5.6
217.10408	1.4
217.12201	1.1
218.10878	2.1
219.08284	1.0
219.10104	2.0
219.11887	1.9
220.12418	1.4
221.09708	1.9
221.13257	2.5
222.10660	0.9
223.11201	2.8
225.09138	8.1
225.12769	1.1
226.09921	1.3
227.07059	1.3
227.10645	11.3
229.08304	1.3
229.10303	1.8
229.12256	1.8
230.10976	1.7
231.11729	2.4
231.13799	1.6
232.12505	1.9
233.09763	1.3
233.13342	2.0
234.10423	0.9
235.11229	2.3
235.14882	1.8
236.12010	0.8
237.09076	2.5
237.12749	1.6
238.09976	1.4
239.10703	2.5
241.08591	2.2
241.12262	2.0
243.10188	3.2
244.12576	3.0
245.08080	3.0
245.13315	2.8
246.10536	1.2
246.14000	1.5
247.09343	3.8
247.14920	1.9
248.12062	1.7
249.12782	1.7
251.10764	1.6
253.08432	1.6
253.12299	1.9
255.10098	2.1
256.12354	1.5
257.13391	1.3
258.14090	1.1
259.11188	1.6
259.13239	1.7
260.12079	1.9
260.15656	0.8
261.12958	1.8
261.16446	0.9
262.13571	1.3
263.10544	1.1
263.14389	2.1
265.12296	1.7
269.13486	1.1
270.13870	1.0
271.14938	0.8
272.11688	0.9
273.12769	1.7
274.13409	1.2
275.10364	0.9
275.14560	1.8
277.09006	8.6
277.12006	1.7
277.15793	1.1
279.13818	1.2
283.11002	0.9
284.11795	1.2
285.10983	1.0
285.13120	1.0
285.16467	1.8
286.13525	1.2
287.12704	3.9
289.12674	1.3
289.15924	2.6
291.10330	1.1
291.13791	0.9
291.17212	1.6
293.11929	0.9
295.14673	1.1
297.12747	1.3
298.13516	1.5
299.14136	1.6
300.14886	0.8
301.12317	0.9
301.15857	1.6
303.13913	1.8
303.17151	1.3
305.15427	1.4
307.13309	0.9
308.07153	1.0
311.14267	1.9
313.15851	2.6
314.13089	1.5
315.13708	2.3
317.11563	1.5
317.15341	2.3
319.16879	0.9
321.11151	1.2
326.12994	1.5
327.13770	2.2
329.15155	0.9
331.13370	1.4
331.16980	4.2
333.14905	1.6
333.18677	1.2
341.15326	2.3
345.14902	2.6
345.18567	2.0
347.16510	1.9
349.18027	1.2
355.16864	1.0
357.14578	1.2
359.16418	6.3
363.15915	2.0
369.14969	3.1
371.16324	1.3
373.17764	2.4
377.17627	5.6
387.15952	6.0
391.19019	2.6
397.14413	1.2
401.17496	2.8
403.15549	3.9
405.16934	6.8
409.20007	1.9
415.15341	6.7
419.18564	6.6
433.16074	6.7
437.19632	11.0
447.18082	7.1
451.21823	1.8
455.21310	1.4
465.19183	23.1
479.21033	1.0
497.21698	3.2
500.25418	0.8
551.22729	7.5
585.65375	0.8
595.23438	7.5
613.24371	1.9
626.32520	1.0
627.31659	0.9
639.24634	1.4
641.27393	1.9
699.27264	16.9
699.35815	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	699.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	3.6
57.07037	0.7
65.04945	0.5
67.05460	1.4
69.64919	3.8
79.05451	1.5
81.03365	0.8
81.06996	1.1
83.04980	5.2
85.02874	0.7
85.42181	0.6
91.05479	3.1
93.06994	1.4
95.01276	0.9
95.04894	2.3
98.20767	0.8
103.05468	3.1
105.03330	1.6
105.07027	4.0
107.08533	1.0
109.06463	1.4
117.06959	1.4
119.08611	2.7
121.06422	1.2
125.01994	0.8
128.06137	0.6
129.06952	1.0
131.04924	4.1
131.08495	2.2
133.06393	2.3
133.10039	2.4
135.07947	0.9
139.03842	1.7
141.01540	0.8
141.06868	0.6
142.07712	1.4
143.08470	2.4
145.06436	1.4
145.10052	1.5
147.07993	1.1
149.09528	1.0
152.60503	0.6
155.08553	0.9
156.09277	1.1
157.10004	2.4
158.07199	0.6
159.07959	1.7
159.11610	1.1
161.05896	2.1
161.09500	2.2
169.10042	2.0
171.07965	1.6
171.11581	2.4
172.08652	0.6
173.05853	1.0
173.09532	1.1
173.13292	0.7
175.11198	0.8
177.05208	1.4
178.07689	0.7
179.07101	0.9
181.09964	1.0
183.11588	2.2
184.08839	0.7
185.09511	1.1
185.13174	1.1
187.11084	1.0
189.09013	1.2
195.11565	0.8
197.09561	1.0
199.07468	0.8
199.11099	2.4
201.08922	0.8
201.12711	0.8
207.11604	1.0
211.11047	1.0
213.08961	1.0
213.12682	1.3
217.08540	0.8
219.11617	0.8
223.11174	0.6
227.10577	2.0
231.11699	1.0
231.13802	1.3
232.12306	0.6
241.12273	0.7
245.07996	1.0
253.12282	0.9
258.13870	0.6
263.10568	0.5
271.09320	0.8
289.15881	0.7
303.11996	0.8
307.66220	0.6
329.13809	0.6
331.17203	0.9
343.15347	1.1
363.19333	0.8
373.18152	0.8
377.17752	1.0
391.18765	0.8
409.20212	0.7
419.18515	2.1
433.20267	0.7
437.19482	1.4
445.18317	0.9
509.20972	2.7
537.20984	19.6
639.24115	100.0
640.24347	2.4
699.26190	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08652	2.1
53.01978	1.8
53.03941	3.0
55.01871	4.9
55.05518	44.9
62.67045	1.7
67.05508	6.1
67.34801	2.1
69.03443	12.5
69.07055	3.2
70.06599	27.4
73.30012	2.0
76.27952	1.8
79.05499	10.8
80.05034	2.1
81.03429	2.7
81.07064	9.2
82.02959	17.3
83.01362	3.4
83.04987	56.7
84.04486	3.2
86.06073	24.8
87.04490	15.1
91.05497	16.4
93.07056	8.6
94.06530	3.0
94.63109	1.8
95.04958	5.8
95.08624	4.2
97.06583	2.6
98.06064	100.0
100.31042	2.1
103.05478	4.8
105.03401	4.8
105.07049	16.0
107.04994	2.0
107.08601	7.0
109.06529	5.8
109.10204	3.3
115.04762	1.9
115.05447	10.7
117.07027	53.9
119.04913	2.6
119.08585	24.3
121.06516	4.4
121.10130	4.9
122.06061	13.8
123.08021	3.1
124.07624	11.2
126.05507	6.2
128.06242	7.8
129.07004	12.9
131.04958	9.8
131.08559	23.4
133.06509	5.4
133.10136	20.6
135.08093	6.3
141.06993	5.5
142.07767	8.9
143.04941	4.8
143.08577	21.5
144.09323	2.2
145.06511	25.8
145.10146	15.7
146.28233	1.8
147.08025	9.3
147.11717	3.3
149.09637	4.5
149.11348	1.9
150.05515	20.3
152.07089	2.3
153.06978	2.0
155.08548	10.6
156.09314	15.0
157.06558	3.4
157.10146	29.3
159.08089	10.5
159.11725	7.6
160.07634	3.0
161.05998	3.3
161.09608	13.9
162.09171	3.6
163.11247	2.6
165.07111	2.5
167.08597	7.0
168.06557	20.5
169.10120	15.8
170.10941	14.8
171.08090	8.7
171.11702	53.8
172.08846	3.8
172.12314	2.7
173.05977	3.0
173.09601	14.1
173.13249	7.8
174.09158	2.3
175.11256	4.1
179.08603	6.1
180.09326	3.2
181.06569	2.0
181.08595	4.2
181.10143	11.8
182.10965	2.3
183.08075	7.7
183.11688	28.4
184.08812	4.8
185.06024	2.4
185.09624	9.2
185.13275	41.4
187.07520	2.1
187.11238	8.8
187.14836	2.3
188.10603	4.8
189.12691	3.3
191.10733	3.1
192.09390	3.2
193.10176	5.9
194.10789	2.7
195.08092	4.3
195.10226	2.4
195.11682	15.0
197.09660	10.4
197.13283	8.1
198.10397	7.2
199.11211	27.3
200.10680	4.8
201.12799	6.4
202.12288	24.2
203.08723	2.6
203.10616	2.5
203.14360	2.6
205.10126	5.3
207.11713	9.8
208.12457	2.5
209.09691	4.9
209.13341	4.3
211.11206	14.9
213.09348	3.8
213.12756	61.6
214.12387	6.3
215.14383	4.6
217.10182	5.1
217.12151	3.9
218.11002	3.4
219.11731	6.7
220.12453	5.5
221.09761	2.5
221.13268	6.6
223.11177	7.6
223.14783	2.8
226.12445	2.4
228.10229	8.1
229.10243	5.5
229.12317	3.7
230.11832	30.0
231.11745	8.8
231.13676	10.5
232.12524	4.5
233.09656	4.0
233.13246	6.3
235.11266	3.3
235.14809	4.0
237.09154	3.0
237.12737	6.8
241.12260	6.3
242.11749	3.8
243.11745	4.6
243.13837	6.6
244.12820	9.0
245.13231	9.9
245.15465	13.8
246.11151	7.9
246.13672	2.5
247.11224	4.3
247.14900	4.5
248.12866	47.6
248.15503	3.0
249.12862	7.3
249.16406	4.7
251.14471	4.2
255.13901	3.0
256.09695	6.7
256.12427	4.6
257.13306	4.6
258.11487	4.7
258.14212	6.0
259.15085	15.2
260.12851	2.8
260.15640	4.0
261.12814	6.8
261.16467	4.8
262.14188	6.9
262.16934	2.6
263.14337	3.9
265.12305	3.6
267.11682	3.0
268.13037	3.2
269.13251	4.1
270.14233	2.7
271.11124	3.4
271.14832	3.7
272.12161	3.4
273.12411	3.2
273.14651	14.6
274.10785	6.2
274.13751	2.9
275.14273	4.2
276.12320	4.6
277.16016	3.2
281.13336	4.3
282.14282	5.4
283.14880	4.6
284.15625	2.5
285.13049	3.4
285.16373	5.4
286.14294	2.5
287.10825	2.5
287.14282	6.3
287.17715	3.2
288.15338	2.1
289.15799	3.6
290.16745	2.0
291.15549	9.3
296.15723	5.2
297.12976	3.7
297.16425	8.8
299.14297	6.3
299.17651	3.9
301.15860	6.8
302.16550	4.8
303.13541	2.5
303.17343	2.3
310.13849	3.3
311.17902	5.7
312.15271	2.8
313.15915	2.9
315.13562	2.3
315.17468	5.7
319.16803	6.2
324.15463	2.5
325.15320	2.1
327.17404	3.6
329.15598	3.0
329.19159	4.7
333.18457	5.6
339.17453	7.4
341.19189	2.7
357.18439	9.8
359.20108	2.1
360.17651	2.2
367.17081	5.3
371.20316	2.8
375.19537	3.7
389.21475	3.3
392.18820	4.0
410.20999	2.9
424.22479	7.2
428.22296	8.1
429.22638	3.0
442.23889	9.7
446.23395	4.5
450.22610	2.4
452.22125	6.0
455.21155	2.5
458.23117	7.2
460.25256	10.6
470.23190	18.9
474.26495	2.6
476.24490	3.6
478.25830	2.8
484.24673	4.6
488.24286	30.1
489.24866	3.2
490.25858	3.9
492.27469	4.9
502.25885	22.9
506.25400	20.3
520.27014	36.1
521.27869	3.0
524.25903	2.4
538.28082	34.7
548.26611	28.1
562.27582	3.6
566.27515	60.1
570.28113	3.1
580.28986	16.2
584.28400	4.8
598.30133	56.6
599.30103	2.2
616.30341	3.1
648.31329	7.3
666.32715	24.9
680.34210	16.0
698.35339	38.3
699.35632	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	698.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01867	2.6
55.05512	61.4
56.05029	1.9
58.28754	1.7
69.03436	1.6
69.22257	2.5
69.22672	11.4
70.06593	4.8
72.04511	3.0
74.06080	4.9
79.05495	4.8
81.07065	3.2
82.02937	8.9
83.04983	100.0
83.53983	1.4
84.05291	1.5
91.05476	9.2
93.07052	3.9
95.08590	3.7
95.23347	1.3
96.04477	1.6
98.06049	11.6
103.05477	1.5
105.03405	1.9
105.07041	10.2
107.08622	3.5
114.13019	1.5
115.05486	4.0
116.07061	1.6
117.07008	8.6
119.08594	11.2
121.06509	2.0
121.10188	3.4
122.06053	2.5
124.07618	1.6
126.05518	88.9
127.07571	7.9
128.06187	2.9
129.07013	4.5
131.08580	10.7
133.06549	1.8
133.10152	14.3
133.84152	1.8
135.08017	3.0
140.07095	3.5
141.06964	3.3
142.07768	4.1
143.07532	1.7
143.08569	9.6
144.09332	1.7
145.06508	3.6
145.10144	6.0
147.08025	6.8
149.09671	2.9
153.07074	2.6
155.08626	5.3
156.09361	7.3
157.10120	16.4
159.08099	4.8
159.11745	8.1
161.09644	10.3
162.09137	2.5
165.09120	2.0
167.08507	1.9
168.06592	5.0
169.10159	7.9
170.10896	8.7
171.08104	4.3
171.11696	30.4
172.08835	2.2
173.09668	3.7
173.13321	3.9
174.09108	1.9
176.10715	2.3
180.09201	1.8
181.10150	4.6
183.08098	3.8
183.11711	24.7
184.08881	2.6
185.09731	4.0
185.13258	34.1
186.09137	4.3
187.11327	2.2
188.10707	47.9
193.10164	3.4
195.11697	8.0
197.09671	4.2
197.13249	1.7
198.10501	3.6
199.11224	14.3
199.17513	1.6
200.10774	5.0
201.12830	3.5
202.12230	3.6
204.10208	5.5
205.12364	2.0
206.11794	31.4
207.11754	4.1
209.09595	3.1
209.13306	1.7
211.11197	9.4
213.12755	42.4
213.14813	2.2
214.08687	5.6
214.12489	1.6
215.14258	2.6
216.10432	2.2
217.10300	3.3
218.11784	3.5
219.11765	3.8
220.13362	6.3
221.13403	3.0
223.11264	4.5
223.14882	1.4
227.10677	1.6
229.12355	1.8
230.11197	2.0
231.11717	4.2
231.13927	4.5
232.09743	5.6
232.12343	1.4
233.13316	3.3
234.11330	3.4
235.11327	1.8
235.14912	2.7
236.12154	1.6
237.12796	1.6
240.13692	1.9
241.12338	4.0
243.11731	3.5
243.13902	3.9
244.12764	3.5
245.13251	5.6
245.15474	10.8
247.11272	3.4
247.14847	5.3
249.12750	1.7
249.16348	2.4
251.14334	1.8
255.13887	5.2
256.13269	3.5
257.13297	3.4
258.14169	5.0
259.15063	8.7
260.12579	1.8
260.15524	3.8
261.12863	5.9
261.16406	3.1
262.13562	3.1
263.14264	2.3
268.13742	1.7
270.14081	1.7
271.14841	1.5
272.12534	1.6
273.14642	16.2
274.17255	2.4
275.14227	3.4
276.14767	1.8
277.15634	2.5
282.14825	1.8
283.14868	2.4
285.12766	2.3
286.14355	3.3
287.14438	8.5
287.17252	1.7
288.15979	20.9
289.16119	3.2
290.16632	1.7
291.17502	4.3
298.14291	2.3
300.15799	3.9
301.15948	7.8
302.16727	3.2
314.13809	2.1
316.15543	2.2
319.16959	4.7
326.17441	1.8
331.34637	1.4
333.17325	3.4
339.17575	1.7
356.19998	1.6
357.18164	1.6
386.21149	8.6
388.18832	2.8
388.23212	2.3
398.21075	1.6
400.22693	9.6
404.22412	4.2
410.21149	3.2
416.22247	6.3
418.23978	3.9
428.22208	18.8
430.24060	2.1
442.23813	3.7
446.23260	18.9
448.25189	4.0
454.79245	1.7
460.24847	14.4
464.24567	2.1
478.25858	10.0
488.24689	1.9
498.26788	2.5
500.28104	3.5
506.25372	13.3
510.26450	2.4
520.27008	4.0
524.26489	3.5
528.27637	9.3
530.29199	6.3
538.27966	3.7
546.28558	2.4
560.30109	8.3
566.27454	14.1
578.31189	4.1
580.28131	2.4
584.28662	4.2
588.29663	2.8
598.30078	4.7
606.30573	3.5
616.31146	2.1
620.32196	4.1
638.33179	5.5
648.31714	9.2
666.32654	37.6
680.34314	17.9
698.35388	84.2
699.35779	3.5
723.75757	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
53.10411	1.2
55.01878	3.5
55.05513	68.9
56.05046	1.5
64.26165	1.2
67.05524	1.2
69.03434	5.2
69.07066	1.5
69.45995	8.8
70.06590	7.8
72.04531	3.6
74.06086	4.6
79.05490	4.3
81.07071	5.0
82.02940	9.2
83.04984	100.0
86.06087	4.4
86.25832	1.2
87.04475	2.2
91.05482	12.6
93.07065	6.2
95.04996	3.7
95.08596	3.0
95.11092	1.3
96.04532	1.5
98.06053	23.1
103.05491	2.7
105.07038	11.9
107.04919	1.6
107.08602	5.3
109.05219	1.3
109.06545	3.4
109.10183	1.5
110.06054	2.1
115.05463	4.6
116.06279	1.6
117.06994	13.3
119.04930	1.4
119.08587	17.1
121.10195	2.5
122.06053	2.7
123.08102	1.6
124.07618	1.7
126.05520	79.8
127.07576	8.3
128.06223	3.9
128.07101	2.9
129.07001	7.9
130.07841	1.4
131.04909	1.7
131.08577	13.2
133.06477	1.5
133.10123	16.6
135.08072	3.3
141.07060	3.4
142.07817	5.8
143.08559	14.5
145.06514	8.1
145.08990	2.2
145.10107	10.2
147.08081	7.6
147.11703	1.6
149.09682	5.8
152.07098	2.3
153.07002	2.0
155.08537	6.0
155.19283	1.4
156.09300	10.2
157.06564	3.1
157.10141	21.8
159.08060	8.2
159.11676	8.4
161.09619	11.9
162.09131	2.4
163.11229	3.4
165.05737	1.4
165.07076	3.7
165.09113	1.9
167.08591	3.6
168.09325	2.0
169.10141	10.3
170.10875	9.5
171.08034	9.1
171.11691	34.8
172.08879	1.9
173.09612	9.1
173.13329	4.2
174.09117	2.7
175.11185	3.2
178.12337	1.6
179.08516	3.2
179.10680	1.4
181.08643	1.4
181.10188	5.6
183.08104	4.9
183.11710	26.2
184.08885	4.6
185.09691	8.3
185.13266	34.4
186.09222	5.5
187.11226	3.5
187.14973	1.5
188.10712	37.7
193.10216	3.8
194.10966	2.1
195.11713	8.8
197.09596	6.4
197.13283	5.9
198.10403	8.4
199.07521	2.2
199.11192	17.2
200.10768	5.4
201.12819	2.5
202.12248	10.7
203.08617	1.9
204.10274	5.9
205.10170	2.3
205.12274	1.6
206.11806	26.1
207.11861	4.8
209.09615	4.2
209.13300	3.2
211.11214	11.3
213.09377	2.0
213.12740	51.6
214.08688	4.4
214.12317	2.3
216.10205	4.3
216.13890	1.7
217.10202	4.4
217.12199	2.1
218.11713	4.2
219.11740	3.6
220.13348	3.2
221.09760	2.5
221.13322	4.8
222.14314	1.4
223.11282	5.3
225.12726	2.2
229.10278	2.7
229.12366	2.3
230.11804	9.2
231.11780	4.2
231.13892	3.9
232.09631	4.3
232.13353	1.6
233.09651	1.9
233.13321	3.7
233.15491	1.4
234.11328	4.1
235.11314	1.8
235.14943	3.6
236.11917	1.9
237.12883	2.8
238.12300	1.9
241.12230	6.3
242.11359	1.7
243.11794	3.7
243.13873	3.6
244.12955	5.6
245.13298	6.6
245.15501	12.6
246.10783	2.0
246.14041	2.6
247.11333	4.8
247.14836	6.0
248.12912	7.3
249.12857	2.0
249.16461	2.9
251.14339	1.7
254.11426	1.3
255.11656	2.0
255.14014	3.2
256.13290	4.0
257.13364	2.3
258.11200	1.9
258.14230	4.8
259.11157	1.9
259.15109	10.6
260.12244	1.7
260.15829	2.0
261.12787	3.9
261.16550	3.0
262.13727	2.5
268.13065	1.7
270.14297	3.0
271.11160	1.7
271.14975	2.8
272.12164	2.8
273.14694	18.4
275.14368	3.9
276.12198	1.6
277.15906	4.0
279.14175	1.4
281.13293	1.4
282.14499	2.0
283.14951	2.9
284.15805	2.3
286.14230	4.7
287.14301	6.7
287.17474	1.6
288.15961	17.0
289.15933	4.4
291.17807	3.1
297.16177	2.4
298.14325	3.8
299.14340	2.7
299.17828	2.5
300.15945	5.7
301.16022	8.1
302.16983	4.5
311.17917	1.5
313.16077	1.8
314.13681	2.3
316.15500	2.9
319.17004	2.5
320.17569	1.6
324.15295	2.0
325.15952	1.5
327.17380	1.6
329.18802	2.5
333.17453	4.7
339.17499	3.2
351.18536	1.4
357.18369	2.8
360.18820	2.1
374.21271	2.0
375.18976	1.6
386.21265	10.3
388.18756	1.8
388.23187	2.2
393.19455	1.6
398.21649	3.0
400.22760	6.9
402.20276	1.6
404.22858	1.7
410.21088	3.2
416.22287	4.7
418.23779	7.2
428.22308	20.6
442.23792	3.7
446.23242	20.4
448.24823	3.0
452.22458	1.6
454.76608	1.3
460.24786	12.1
464.24362	3.0
468.25455	1.7
470.22809	2.7
478.25958	9.9
488.24503	4.1
496.27667	1.5
498.26984	1.8
500.28308	2.1
502.25970	4.5
506.25473	9.1
510.27017	2.2
520.26837	8.8
524.26440	3.0
528.27795	6.9
530.29279	3.3
538.27979	12.2
542.29047	4.7
546.28784	2.7
548.26727	2.1
560.30115	6.6
566.27478	16.4
570.27850	1.8
578.31451	3.8
580.29211	5.1
584.28601	5.4
598.30219	19.4
606.30652	2.9
616.31464	2.5
620.32104	2.9
624.30780	1.8
634.94592	1.6
638.33728	3.0
648.31891	5.6
666.32617	29.5
680.34290	13.9
698.35352	91.4
699.35620	5.1
704.07983	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.05515	19.9
56.04023	3.6
67.05504	16.8
69.03417	15.8
69.07062	5.3
69.47779	10.9
69.48183	17.3
70.06599	9.0
71.44260	3.8
79.05500	16.7
80.39428	3.3
81.03423	6.7
81.07088	20.9
83.04984	23.6
85.02892	6.4
86.06087	3.7
91.05477	21.6
93.07053	25.9
95.04980	18.0
95.08627	21.1
97.06526	6.8
98.06068	13.7
98.21579	5.1
101.02411	6.2
103.05479	8.9
105.03410	8.0
105.07024	30.8
107.04959	9.4
107.08588	16.5
109.06522	13.6
109.10172	6.4
112.03975	7.2
114.05479	3.8
115.05446	6.2
117.07021	14.1
119.04955	7.4
119.08575	37.7
121.06502	14.1
121.10156	7.9
123.04412	5.8
123.08083	21.0
129.06995	11.5
131.04968	14.0
131.08533	23.3
133.06508	11.6
133.10126	20.1
135.08081	13.9
137.05937	5.7
141.07007	6.3
142.07802	8.9
143.08569	27.4
144.06584	31.6
145.06569	12.0
145.10141	14.8
146.07188	4.9
147.04430	4.2
147.08066	12.2
147.11667	4.6
149.05943	6.2
149.09656	9.4
155.08559	17.2
156.09357	9.9
157.10118	48.9
159.08069	21.4
159.11681	26.0
161.05959	9.2
161.09634	12.6
163.07550	9.4
166.07764	5.1
167.08470	5.3
169.10120	34.5
170.10880	20.5
171.08046	14.0
171.11700	45.0
172.08861	4.5
173.09657	13.9
173.13301	5.3
175.07542	5.9
179.07059	6.1
179.08583	8.5
181.10120	13.0
182.10948	4.5
183.08058	8.3
183.11702	100.0
184.12335	6.9
185.09619	20.9
185.13278	22.3
187.11172	14.4
189.05409	4.6
191.10696	4.5
192.09357	5.0
193.10143	9.4
194.10944	6.2
195.11714	15.5
196.08955	5.1
197.09641	16.1
197.13356	8.9
198.10307	6.3
199.11240	23.8
201.09065	6.0
201.12804	15.5
203.10667	5.4
205.10219	5.8
206.10847	7.6
207.11719	22.9
208.12508	14.4
209.09758	6.6
209.13257	16.3
211.11305	19.1
213.09230	5.6
213.12711	21.6
215.10796	5.9
217.10289	7.3
217.12169	5.8
218.10858	5.7
219.11803	10.0
220.09674	5.5
220.12474	6.9
221.13216	24.3
222.13989	7.3
223.07861	4.5
223.11176	13.3
223.14848	14.6
225.09105	5.4
225.12782	3.9
227.10696	7.2
229.10172	7.1
229.12257	16.0
230.11101	7.5
231.11696	16.5
231.13783	6.5
232.12454	11.3
233.09601	7.7
233.13251	10.5
235.11230	7.8
235.14859	15.5
237.12743	8.2
237.16402	48.5
239.14363	8.9
241.85449	4.3
243.11644	13.4
243.13895	9.8
244.12335	9.7
245.13431	10.7
245.15466	5.7
246.13982	10.4
247.11102	8.7
247.14885	26.8
248.12213	6.4
248.15535	7.3
249.12801	11.7
249.16394	11.5
250.13701	4.3
251.14294	23.2
253.12254	4.5
255.11594	4.7
257.13345	6.1
258.13950	6.2
259.11038	9.1
259.14771	13.2
260.12207	4.4
260.15350	6.4
261.12747	13.7
261.16397	17.3
262.13467	11.6
263.14337	16.0
263.17960	12.7
265.15869	24.3
267.13889	11.0
269.09805	5.4
269.13327	7.7
271.10913	7.2
273.12625	8.3
273.16251	8.5
274.13431	6.9
275.14285	16.3
275.17776	5.5
277.15823	12.2
279.13779	10.9
279.17450	26.4
281.15359	6.9
283.17078	8.5
284.11844	4.4
286.13516	6.3
287.14273	12.7
287.17969	4.5
289.15994	19.6
291.17554	21.4
293.15445	11.5
299.14236	8.4
301.12717	4.1
301.15823	21.2
303.13812	5.8
303.17233	5.8
305.15396	4.9
307.16913	21.6
309.18567	4.9
311.14178	4.1
315.17368	12.2
317.15277	9.3
319.16888	12.4
321.18469	8.6
325.18015	10.8
329.15265	8.5
333.18414	5.6
333.59625	4.0
335.16385	12.0
339.19537	6.3
343.16956	15.0
347.16486	16.6
349.18195	6.8
353.17642	5.9
361.17908	18.9
365.17480	14.0
367.18924	11.3
369.20587	6.6
371.16693	8.0
375.19702	6.1
379.19202	27.9
385.20105	10.2
389.17569	23.7
397.20010	6.2
399.17502	5.2
403.19315	5.5
407.18497	40.1
408.19070	5.0
411.21735	5.1
417.16840	11.6
421.19913	12.1
425.19720	22.4
435.18124	15.5
439.20984	23.3
441.18738	4.5
449.19675	9.8
453.18854	8.1
457.22073	10.6
467.20599	15.6
471.23502	7.1
474.22604	6.9
481.22058	4.5
485.21744	16.1
499.23041	7.0
502.22211	6.5
511.23059	12.9
517.24524	8.1
519.37207	4.4
520.23438	12.3
531.25861	51.8
534.24414	4.6
538.27161	5.4
548.26984	4.1
557.67834	4.3
571.25165	13.1
631.27502	24.8
663.30383	44.1
666.29126	7.0
680.32690	15.3
698.34283	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	698.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
55.01863	2.8
55.05267	3.9
55.05516	63.9
57.03447	3.1
65.47296	2.4
67.05499	6.4
69.03413	7.2
69.07086	5.2
69.24255	19.6
70.06586	13.6
79.05476	6.7
81.03394	2.7
81.07059	7.7
83.04984	100.0
84.05315	3.9
86.06081	20.3
91.05495	14.1
91.22705	2.1
93.07063	11.5
95.04971	7.9
95.08606	7.3
97.06519	3.8
98.20708	4.2
99.04430	2.7
99.26299	2.1
99.32474	1.9
101.21760	2.2
103.05470	11.9
105.03367	4.6
105.07023	21.5
106.07362	2.6
107.08604	9.9
109.06516	5.3
109.10102	3.0
110.12066	2.0
115.05493	7.4
117.07021	8.9
119.04974	2.5
119.08588	27.4
121.06460	3.7
121.10131	8.2
123.08049	3.4
126.05511	3.0
128.06224	8.4
129.03374	3.0
129.06998	9.1
131.04916	28.4
131.08527	14.3
133.06462	5.7
133.10143	27.6
135.08032	6.8
138.05525	2.9
141.07027	6.2
142.07788	8.6
143.04919	2.7
143.08560	17.5
145.06494	17.1
145.10135	13.9
147.08046	8.6
147.11711	4.9
149.09621	7.2
153.07079	4.9
154.07747	3.0
155.08553	12.6
156.09340	17.5
157.02831	7.7
157.06483	8.4
157.10133	28.4
158.10799	2.7
159.04437	10.9
159.08083	9.2
159.11710	10.6
161.05986	4.5
161.09662	11.7
163.07587	2.5
165.06996	2.7
165.09117	2.4
166.07773	5.2
167.08583	4.1
168.06494	2.8
169.06575	2.8
169.10133	14.6
170.10883	11.1
171.04448	4.4
171.08083	7.8
171.11684	54.4
172.12260	2.6
173.06013	4.9
173.09637	12.3
173.13268	9.6
175.11269	2.3
177.09067	3.2
179.08499	3.9
180.09381	2.6
181.10117	7.0
182.10887	2.9
183.08063	5.2
183.11708	37.4
184.08792	4.4
185.09644	9.0
185.13274	36.4
187.03845	2.8
187.07547	2.8
187.11224	7.7
187.14842	2.9
188.07007	3.8
188.10707	3.3
189.12714	2.9
191.10580	4.1
193.06555	2.2
193.10104	5.3
195.08084	3.6
195.11758	8.3
197.09502	3.2
197.13274	9.2
198.10458	4.3
199.07637	3.4
199.11211	24.5
201.09096	2.2
201.12762	9.9
202.08585	4.3
203.08701	2.4
203.10638	2.5
207.11745	4.6
209.06024	3.2
211.07550	7.9
211.11217	7.5
213.12737	30.9
214.08678	2.5
214.13049	3.3
216.10245	13.6
217.10326	4.1
217.12209	3.7
218.10895	2.7
219.11823	4.4
221.13399	3.5
223.11258	4.4
223.14830	2.7
227.10689	3.3
228.10371	4.1
229.08427	3.4
229.10327	3.9
229.12273	7.3
229.82994	2.5
230.11308	4.4
231.11751	5.0
231.13788	31.9
233.09814	2.6
233.13353	3.9
235.11147	3.7
237.05467	2.7
237.09045	2.5
237.12831	3.8
241.12199	12.8
242.08189	7.4
242.11818	2.7
243.11615	6.6
243.13786	4.3
244.09767	24.6
244.12195	3.7
245.13284	6.1
246.10828	2.1
246.13963	3.2
247.11214	5.2
249.14857	4.1
255.11736	4.6
256.09766	5.0
256.12512	6.8
257.13449	3.1
258.11176	9.7
258.13937	4.5
259.11057	4.5
259.13077	16.4
261.12552	3.7
262.10638	3.9
267.11768	4.8
268.12485	4.2
269.13257	6.5
270.07758	4.9
270.11185	2.7
270.14026	4.0
271.11285	3.8
271.14792	4.8
272.09225	3.7
272.11954	2.9
273.12595	4.2
273.16476	3.9
282.14096	4.9
283.11292	5.4
283.14835	5.2
284.15402	3.7
285.12939	7.1
285.16379	5.0
287.14362	5.2
287.17740	2.8
289.12253	2.9
289.15482	3.3
295.11298	3.1
296.12198	4.0
297.12674	5.0
297.16171	4.6
298.13785	2.4
299.10919	4.3
299.14282	6.6
299.17444	2.4
300.15106	5.3
301.12442	3.3
301.15787	9.3
302.16602	3.5
303.13718	3.4
303.17148	3.2
310.13666	3.7
311.14191	7.3
312.15033	3.1
313.12430	3.8
313.15814	5.1
314.13568	3.6
315.13724	3.7
315.17365	7.6
317.15436	5.1
325.12259	2.2
325.15747	12.7
327.13690	5.2
327.17340	5.0
329.15375	8.4
330.20313	3.3
339.13489	2.8
341.15338	4.2
342.13370	6.5
343.16968	14.1
347.16327	2.4
353.15485	12.2
357.14758	3.2
359.16281	2.8
361.18155	5.6
369.14728	3.1
371.16440	19.4
372.19760	2.7
373.17932	3.6
374.17615	2.9
381.14899	3.8
389.17496	11.0
392.19250	3.0
396.19299	4.1
399.16031	14.0
402.17468	3.2
403.19382	3.0
414.20685	5.4
417.16971	10.0
421.20328	3.2
428.22314	3.2
430.20285	4.4
432.21701	8.6
435.17786	3.7
437.19254	3.7
438.20755	6.9
442.20135	13.5
444.22128	3.8
446.23175	5.0
454.20020	5.4
456.21805	22.1
460.20987	13.2
466.20251	6.1
472.21255	7.2
474.22531	19.9
478.22238	5.0
484.21191	30.4
490.22076	4.3
492.23828	9.8
502.22308	64.2
520.23303	53.8
538.24255	9.1
562.24371	17.7
580.25549	18.9
598.26422	12.1
638.26453	20.6
662.30115	2.8
680.31506	4.1
698.34991	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	698.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.7
55.05272	4.7
55.05516	71.7
59.21667	2.5
67.05502	4.2
69.03419	3.7
69.07073	4.5
70.28490	2.3
71.55327	3.3
73.98692	2.2
77.03925	3.2
77.95842	2.7
79.05486	13.0
81.07061	5.4
83.04990	100.0
84.04504	25.2
84.05300	4.2
84.05893	2.5
84.08144	5.7
91.05489	17.6
91.05990	2.8
93.07032	11.5
95.04960	7.6
95.08558	4.4
100.03968	6.7
101.19244	2.6
103.05462	10.7
105.07043	28.1
106.07373	2.3
107.04960	5.3
107.08604	12.3
109.06551	3.8
111.26713	2.5
115.05441	6.9
117.07052	13.1
119.08588	26.2
121.06483	5.9
121.10135	10.3
128.06236	5.2
129.06970	6.9
130.08617	8.8
131.04955	12.3
131.08551	13.8
133.06458	8.5
133.10120	16.9
135.08041	9.2
137.06033	2.9
140.03439	2.7
141.07005	8.3
142.07784	3.5
143.08556	14.7
145.06473	9.1
145.10149	15.1
147.08011	8.4
147.11641	3.2
149.05977	2.6
149.09624	12.0
155.08595	6.6
156.09325	9.3
157.10127	22.2
159.08073	12.0
159.11731	9.4
161.05963	7.8
161.09584	10.9
163.07529	4.2
165.09114	3.9
169.10185	14.9
170.10887	6.2
171.08034	11.2
171.11713	30.5
172.12280	3.5
173.06029	3.1
173.09578	11.6
174.09117	4.2
175.07559	6.5
176.10645	4.0
177.09125	6.9
179.08543	4.3
181.10120	6.1
182.10851	2.6
183.08028	5.8
183.11725	26.6
185.09634	9.2
185.13292	24.7
187.11235	5.5
188.10779	3.1
189.08992	3.8
189.12723	2.6
191.10672	4.6
193.10191	4.0
194.10928	2.8
195.11703	8.0
197.09549	8.7
197.13188	6.1
199.11169	15.3
200.12022	4.3
201.09120	4.6
201.12880	3.0
206.10931	5.6
207.11661	5.8
208.12411	3.4
209.09734	2.6
209.13293	4.0
211.11108	4.3
213.09244	4.0
213.12764	28.9
214.13100	2.9
215.10666	4.8
217.08614	9.5
219.11810	3.8
220.09613	4.5
220.12209	2.6
221.13278	6.3
223.11127	4.0
225.09167	3.3
225.12843	3.0
229.10129	4.4
229.12175	4.2
230.13049	3.0
231.11861	4.5
231.13820	11.7
232.12486	3.2
233.13232	4.1
235.14795	5.7
237.16380	4.2
239.14287	3.9
241.12202	5.8
243.10162	9.3
244.12294	3.5
245.13217	8.4
246.13991	6.2
247.11063	3.6
248.09061	2.8
249.12672	5.8
249.16504	5.2
255.11748	2.8
256.12387	4.5
257.13559	5.9
258.13959	3.8
259.13144	27.8
260.15466	3.7
261.16318	9.8
263.18073	3.0
270.14014	3.3
271.14828	5.1
274.14102	5.0
277.15738	3.3
287.14380	3.5
287.18042	3.6
289.15735	4.6
299.14099	3.5
303.17535	3.8
305.15140	3.7
307.16763	5.3
315.17438	3.6
317.15332	4.9
319.16260	3.5
321.18353	4.2
327.17560	4.3
329.18933	4.2
331.16965	6.1
345.18311	4.5
347.16309	4.6
349.18063	7.6
355.16788	3.0
357.18491	4.3
359.16214	6.7
367.19077	4.7
369.00458	2.5
373.17899	3.9
377.17487	11.3
388.18744	3.6
395.18478	10.7
400.18994	3.4
401.17877	4.9
404.22781	2.9
412.67038	3.1
414.20651	3.8
416.22394	4.5
418.20309	3.3
419.18524	7.1
420.18811	3.8
432.21725	6.4
434.23193	5.2
437.19354	3.9
448.21106	3.6
455.20776	6.4
460.21127	15.6
478.22241	22.0
479.20462	3.5
496.23233	9.6
500.19989	2.7
510.24640	3.8
515.22760	38.3
520.23615	4.8
538.24231	11.1
539.23126	17.2
556.25928	11.8
570.26935	5.6
580.25848	5.7
598.26215	26.2
616.27515	12.9
638.29242	4.5
680.30927	7.1
698.31610	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	698.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42014	1.6
53.03931	2.0
55.05516	68.8
56.05839	6.1
62.81807	1.7
67.05492	5.0
69.03441	3.8
69.07064	4.5
71.04973	2.4
79.05478	8.6
81.07054	6.3
83.04987	100.0
84.04512	10.7
84.05308	8.3
91.05495	13.2
93.07050	10.5
94.07334	2.3
95.04964	5.7
95.08612	5.3
96.04510	2.6
100.03965	2.8
103.05478	10.2
105.03402	1.9
105.07027	24.0
106.07330	2.4
107.08593	6.5
109.06477	3.1
109.10136	1.9
114.88404	1.7
115.05461	7.6
117.07050	11.7
119.04956	2.8
119.08584	19.3
120.08900	2.5
121.06475	3.5
121.10148	4.7
123.08067	2.8
124.03957	3.0
128.06229	5.2
129.07014	9.3
131.04938	12.1
131.08592	12.0
132.08032	2.6
133.06525	8.1
133.10139	16.9
134.10474	2.9
135.08049	6.1
136.08438	2.0
140.03458	2.4
141.07022	5.9
142.05014	3.1
142.07768	6.1
143.08569	10.5
145.06456	6.2
145.10124	12.3
146.10487	2.0
147.04437	1.9
147.08078	10.2
147.11656	2.2
148.08374	2.3
149.09612	7.0
153.06961	2.2
154.07764	3.4
155.08519	8.6
156.09245	6.9
157.10155	16.7
158.10524	3.8
159.08073	10.1
159.11722	5.9
161.05952	9.3
161.09636	9.0
162.06297	2.2
162.09999	2.2
163.07501	4.4
165.06996	2.7
167.08472	2.3
168.09326	1.8
169.10117	12.5
170.10945	8.5
171.08040	8.4
171.11705	26.5
172.12027	4.6
173.05949	4.4
173.09647	12.0
173.13249	4.1
174.09151	3.0
175.07547	6.8
176.07892	1.8
176.10672	2.3
177.09074	4.5
179.07033	2.8
179.08522	2.5
181.10135	5.2
183.08104	4.6
183.11685	20.6
184.08693	2.9
184.12073	5.8
185.09612	8.1
185.13258	13.3
186.09981	1.9
186.13672	3.1
187.07610	2.2
187.11319	3.4
187.14848	3.8
189.05432	1.8
189.09175	2.4
191.10716	2.5
193.08516	2.5
193.10115	5.2
194.10844	1.9
195.08009	2.5
195.11694	7.5
197.09639	7.5
197.13261	5.2
198.10451	3.2
198.13657	1.6
199.07532	3.3
199.11237	12.1
200.11784	5.7
201.09042	3.8
201.12767	3.7
202.08600	2.0
203.08539	2.2
206.10860	2.2
207.11697	6.9
208.12271	1.7
209.09683	4.2
209.13260	5.1
211.11156	7.6
213.09196	2.4
213.12750	21.0
214.09567	2.2
214.13091	3.8
215.10657	4.0
217.08575	4.7
217.12064	2.2
218.10808	2.3
219.11678	2.6
220.12311	3.1
221.13206	4.6
223.11137	3.2
227.10641	2.8
229.10176	3.6
229.12234	6.7
230.10756	2.6
230.12857	2.7
231.11702	4.9
231.13641	8.9
232.12343	2.2
232.14345	3.4
234.13762	2.8
235.11246	3.7
235.14803	3.9
237.12563	2.9
241.10188	2.2
241.12270	6.9
242.09073	2.4
242.12692	2.3
243.09857	2.9
244.12317	4.3
245.13277	4.9
246.13896	3.1
247.11070	3.1
247.14908	2.5
249.12814	3.1
249.16040	1.6
255.11583	2.1
258.13931	2.2
259.13141	17.5
261.12650	2.4
261.16495	4.0
262.16998	2.0
264.11194	2.0
269.12994	2.6
270.13870	4.0
271.10950	2.1
271.14706	6.5
272.12164	3.3
273.12653	2.9
273.16037	3.5
274.13571	2.9
274.17014	2.3
275.14188	2.5
275.17752	2.2
277.15720	3.5
282.14026	2.2
283.11111	2.5
283.14999	2.4
284.11969	1.9
284.15311	2.5
285.12711	2.0
285.16220	5.0
286.13367	2.0
286.16565	3.1
287.10696	1.9
287.14175	4.5
288.14792	2.6
289.15887	2.6
298.13345	1.9
299.14255	3.8
301.15747	2.2
303.13770	2.6
303.17331	3.5
304.17761	2.0
305.15433	2.5
305.18890	2.2
307.16870	3.3
313.15750	4.4
314.16223	2.3
315.17474	1.9
317.15302	3.3
319.15665	2.3
327.17236	2.6
328.17575	2.3
328.86856	1.9
331.16864	6.6
332.17398	2.7
343.16962	2.9
345.18393	4.8
346.18820	2.2
349.17993	4.0
355.16895	2.2
356.17233	2.7
359.16443	3.6
367.18948	3.5
373.17938	4.0
374.18362	5.8
376.19681	2.7
377.17596	6.4
378.17789	2.1
382.17828	1.7
389.17383	2.2
391.19064	3.9
392.19510	3.9
395.18655	4.5
400.19373	2.9
401.17499	5.1
402.17923	9.6
419.18491	8.6
420.18826	15.2
432.21460	4.3
434.22818	2.3
437.19669	6.1
438.20090	9.2
442.20334	2.3
450.22342	4.7
455.20596	3.0
460.21161	5.2
478.22232	11.4
480.20709	4.2
496.23111	2.8
498.21906	2.7
515.22766	17.8
520.23273	3.0
538.23999	5.2
539.22827	8.3
556.25635	10.3
580.25745	4.7
598.26447	19.3
616.27130	5.3
638.29279	4.3
651.52588	2.2
698.31720	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	697.4649
Annotation	Phepropeptin C
Peak:m/z	Relative Intensity
53.00505	0.3
55.05513	0.6
57.03423	0.3
61.04991	0.3
64.18792	0.3
64.53214	0.3
67.05502	2.4
69.07059	0.9
71.04973	0.3
79.05487	2.0
81.07060	2.1
83.08615	0.4
89.06019	0.4
91.05492	1.7
93.07041	2.2
95.08603	1.8
97.06518	0.3
98.20772	0.6
100.04474	0.3
105.07046	1.3
107.08606	0.9
109.10188	0.5
117.07055	0.4
119.08582	0.6
121.10167	0.9
131.08592	0.7
133.10132	0.8
135.11676	0.5
171.11703	0.3
227.20184	0.3
250.69493	0.3
260.20502	0.3
317.21036	0.9
341.81580	0.3
347.21988	3.6
373.23633	1.2
403.24677	2.2
637.45428	0.3
639.70062	0.3
666.39294	0.3
697.46503	100.0
698.46796	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33419	1.1
53.09157	0.9
55.01881	1.0
55.05519	6.7
57.03423	3.0
59.04996	0.9
61.02919	5.4
67.05509	9.5
69.03419	4.1
69.07073	1.5
71.04992	1.6
73.02926	5.5
74.09727	45.3
75.10051	4.7
79.05492	2.9
81.03406	3.6
81.07073	6.5
83.04989	13.4
83.08630	2.6
85.02898	6.6
85.06544	1.3
91.03967	5.8
91.05468	4.4
93.07050	3.6
95.04964	1.7
95.08614	4.2
97.02940	5.2
98.97556	1.0
99.04468	1.5
101.02387	2.0
103.05444	1.7
105.07052	2.3
107.08572	2.4
109.06537	1.1
109.10160	10.0
115.05444	1.6
117.07039	1.4
117.94172	1.0
119.06075	1.0
119.08585	4.1
123.08115	1.2
125.08889	1.3
126.94693	1.0
127.03907	2.7
128.06169	1.2
129.05461	1.1
129.07040	1.8
131.04932	3.7
131.08611	2.2
133.10150	2.4
137.09569	1.3
143.08556	2.4
145.06485	1.6
145.10094	2.5
147.08040	2.9
155.10710	2.3
157.10117	3.0
159.08044	2.1
161.09662	1.9
169.10147	1.6
171.08076	1.3
171.11681	4.0
173.09616	1.6
173.11768	3.7
175.02856	1.2
181.10164	1.2
183.11690	2.9
185.04285	2.4
185.09636	2.0
185.13304	1.7
195.09961	2.2
195.11630	1.3
197.09534	1.6
203.05241	1.0
213.12743	3.6
221.11418	2.0
229.14259	1.4
237.12682	1.6
243.08446	5.2
247.14746	1.4
251.16693	1.1
256.12558	1.2
285.16412	1.3
301.08871	4.7
315.10452	2.0
329.11908	1.4
371.16641	4.5
373.11093	2.8
385.18362	2.7
413.17862	22.0
425.21188	2.5
429.17148	1.5
443.18808	1.7
445.96146	1.2
453.21213	6.3
463.26819	2.5
484.22910	2.0
485.20160	7.8
499.21405	2.1
511.25040	1.4
527.24432	1.3
535.19714	1.6
541.26172	4.1
553.29578	1.9
567.31494	21.4
568.32336	1.9
596.31744	9.4
597.32825	1.2
608.76825	1.3
625.32007	100.0
626.32281	2.0
628.30829	8.1
637.22601	7.6
651.33685	7.3
658.28540	3.8
658.78748	3.5
697.34821	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01863	2.7
55.05511	63.9
56.63322	1.6
61.64414	1.6
67.05514	3.1
69.03434	2.0
69.07067	3.0
70.71245	3.5
75.79914	1.4
76.62271	1.5
77.00449	1.5
79.05501	5.5
81.07068	2.6
83.04982	100.0
84.05323	1.9
91.05475	12.5
93.07047	7.6
95.04977	4.3
95.08610	2.7
103.05467	5.2
105.03406	2.3
105.07030	17.1
107.08587	6.8
108.25792	1.7
109.06504	4.0
115.05447	5.5
117.07034	8.2
119.04922	3.3
119.08579	18.3
121.02841	1.9
121.06499	4.1
121.10147	4.9
124.08097	1.5
125.05956	1.4
128.06258	2.1
129.06999	8.3
131.04938	6.0
131.08571	12.7
133.06522	10.6
133.10132	16.8
135.08044	6.0
141.07024	4.4
142.07779	4.4
143.08559	11.7
145.06477	6.2
145.10106	10.5
147.08069	9.8
149.09612	4.2
153.06989	2.2
154.07751	2.3
155.08510	6.7
156.09378	10.1
157.06480	4.2
157.10120	18.0
158.07083	2.1
159.04388	2.9
159.08067	7.9
159.11639	8.5
161.05969	11.5
161.09619	7.7
163.07640	2.4
164.02675	1.5
165.06993	4.1
167.08611	2.0
168.09335	2.7
169.10123	13.6
170.10890	6.5
171.08034	5.1
171.11682	37.7
173.05989	4.1
173.09602	10.1
173.13350	4.1
175.07542	7.0
175.11159	2.3
177.05519	2.5
177.09135	4.0
179.07069	3.1
179.08606	4.7
181.10117	6.8
183.08066	4.9
183.11700	23.3
184.08821	3.3
184.12466	2.4
185.09615	8.6
185.13284	16.4
187.03900	3.2
187.07536	2.4
187.11191	6.8
189.05518	5.5
189.09027	2.1
191.10718	3.5
192.09425	2.1
193.10123	3.7
195.08014	3.2
195.11719	8.2
197.09607	6.4
197.13210	6.5
198.10405	1.8
199.11182	20.8
201.09053	1.7
201.12854	2.6
203.07076	3.3
203.10645	2.6
204.09421	1.6
205.10155	2.7
207.06573	3.1
207.11693	5.9
209.09579	3.9
209.13283	4.3
211.07602	3.0
211.11179	4.9
213.09114	5.2
213.12735	16.7
215.10587	3.5
215.14172	1.8
217.08560	4.5
217.10371	1.9
217.12210	3.1
221.09642	2.1
221.13269	6.9
223.11214	3.0
225.09157	2.4
225.12767	2.0
227.10739	3.8
229.10283	2.0
229.12256	5.8
230.10898	2.4
231.11665	4.7
231.13719	12.7
232.12399	2.7
233.09654	2.4
233.13354	2.2
234.14104	1.9
235.11145	3.7
235.14761	2.3
237.12691	3.6
239.10570	3.3
241.08565	2.3
241.12283	4.9
242.10756	4.3
243.11713	5.2
243.13869	3.2
244.12453	2.2
245.11517	3.1
245.13538	3.2
246.14032	2.1
247.11214	2.2
247.14938	3.9
249.12781	3.1
249.16452	1.8
251.14297	2.0
255.11603	3.4
257.13528	3.7
258.13882	1.7
259.13351	6.8
259.15341	2.6
261.16458	2.8
265.12213	3.9
266.51733	1.8
267.11765	2.7
269.09454	2.0
269.13202	4.6
270.10583	2.0
270.14032	4.8
271.14740	5.6
272.15546	2.6
273.12741	4.6
273.16171	2.2
274.13559	2.2
275.14417	2.3
277.12274	2.0
279.13815	2.2
281.13229	3.1
283.11139	2.8
283.14645	2.7
284.15430	3.1
285.12662	4.6
285.16302	6.5
286.13504	2.3
287.14297	2.4
289.12244	1.9
289.15588	1.9
297.09479	1.8
297.12823	4.2
297.16034	1.9
298.13629	3.2
299.14401	3.3
299.17825	3.1
301.12234	6.3
301.15717	3.5
303.13879	3.6
303.17337	3.9
313.15768	3.2
314.16672	2.0
315.14035	3.4
315.17398	4.7
316.14438	2.8
317.15344	2.4
317.18832	1.7
319.13263	2.2
319.16800	1.9
324.14786	1.9
325.12222	2.0
327.13898	2.7
327.17511	5.0
329.15353	3.7
329.18954	1.9
331.16803	8.2
340.14557	2.6
341.15341	6.4
342.16074	2.1
343.16949	2.7
344.14011	2.5
345.18454	7.9
347.16357	4.2
349.17929	2.8
355.16873	8.4
359.16406	12.1
360.17120	2.3
361.14117	2.1
361.18051	2.3
363.19583	3.0
371.16336	5.7
373.17953	20.4
375.19797	4.0
377.17383	6.6
383.16467	9.6
389.17447	5.7
391.18939	19.7
401.17496	34.0
407.18716	2.0
409.19958	6.4
419.18509	50.4
420.19006	2.7
437.19647	26.4
451.21332	2.4
461.20078	2.9
479.20599	11.8
497.21838	14.6
501.22476	3.2
519.24176	2.3
579.25696	4.3
597.26825	4.0
697.34601	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	697.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22274	1.2
53.03940	3.6
55.05515	65.1
67.05503	2.3
69.03418	2.5
69.07071	2.3
71.01358	1.4
79.05500	7.4
81.07057	3.1
83.04984	100.0
84.05305	2.5
91.05472	14.7
93.07043	6.5
95.04977	3.4
95.08595	3.1
97.06575	1.5
98.20702	2.6
101.54000	1.2
103.05481	8.2
103.06042	1.3
105.07042	23.6
107.04961	2.0
107.08591	5.4
109.06510	3.1
109.10187	1.3
114.73470	1.3
115.05460	4.4
117.07021	12.3
119.08593	17.9
121.06475	2.8
121.10143	4.2
128.06223	4.3
129.06979	6.5
130.07841	1.4
131.04904	10.7
131.08568	12.6
133.06474	11.8
133.10146	14.5
135.08049	5.9
141.06982	3.5
142.07767	5.7
143.04887	1.6
143.08566	13.7
145.06479	6.0
145.10139	7.7
147.08055	12.3
149.09607	4.1
153.07025	3.6
154.07751	1.8
155.08577	8.9
156.09378	9.9
157.06529	2.4
157.10155	15.3
159.04402	2.7
159.08080	9.9
159.11699	5.3
161.05998	16.4
161.09657	7.9
163.07523	4.8
165.07001	2.8
167.08531	3.5
168.09372	1.7
169.10107	14.5
170.07372	1.4
170.10915	6.2
171.08038	7.8
171.11676	31.2
173.06010	3.8
173.09662	8.3
173.13318	2.4
175.07542	10.4
177.09180	6.1
179.07080	1.6
179.08578	3.7
180.09296	2.2
181.10159	4.0
182.10854	1.8
183.08069	4.7
183.11693	23.4
184.08826	2.8
184.12434	2.2
185.09645	9.9
185.13277	17.2
187.07526	3.3
187.11215	6.4
189.05435	4.4
189.09120	4.0
189.12723	2.0
191.10649	3.9
192.09352	2.0
193.08546	2.4
193.10133	4.7
195.07988	1.6
195.11726	8.2
196.08884	1.5
197.09615	5.8
197.13272	6.9
198.10352	3.9
199.07562	2.9
199.11186	18.4
200.11919	5.0
201.09096	4.2
201.12772	3.5
203.07010	1.8
203.08754	1.5
203.10553	2.2
205.08492	1.9
205.10178	1.7
205.12248	1.7
206.10892	2.4
207.11711	5.0
208.08887	1.5
208.12413	1.8
209.09605	2.7
209.13271	3.8
211.07622	2.3
211.11148	4.8
213.09134	5.7
213.12746	19.2
215.10744	4.6
216.09238	2.7
217.08543	3.6
217.10330	2.4
217.12224	3.6
218.10887	2.9
219.11772	3.3
221.09619	1.9
221.13251	4.2
223.11189	4.1
225.09117	2.0
225.12775	2.3
227.10706	3.9
229.10277	2.1
229.12206	7.6
230.10872	2.2
231.11731	4.1
231.13684	10.5
232.12444	3.3
233.09613	2.0
233.13232	3.7
235.11285	1.5
235.14786	2.7
236.11911	1.7
239.10669	3.6
241.08450	3.1
241.12257	6.6
243.09822	2.4
243.11882	2.9
243.13889	1.8
244.12422	2.6
245.13441	3.0
246.10388	1.9
246.13916	2.3
247.11232	2.4
247.14790	2.5
249.09050	1.6
249.12711	2.1
251.10728	2.6
255.11627	4.2
256.12399	3.4
257.13254	4.6
258.13995	4.2
259.10876	2.4
259.13031	11.8
260.15701	2.2
261.12830	2.2
261.16428	2.8
263.14197	1.7
265.12460	1.9
267.11652	1.4
268.12582	3.2
269.13202	4.4
270.10422	1.3
270.14047	5.8
271.14783	5.5
273.12573	4.0
273.16220	2.2
274.13461	1.6
275.14401	2.0
275.17630	1.9
282.13992	1.6
283.11206	2.6
283.14691	2.6
284.12070	2.1
284.15387	2.2
285.07632	3.0
285.12686	2.9
285.16324	4.1
286.13367	2.4
287.14261	2.8
287.17615	1.8
289.15677	1.9
291.13803	2.1
297.12695	4.6
297.16122	2.2
298.13425	3.1
299.10684	2.2
299.14197	5.0
299.17758	2.5
301.12225	1.7
301.15793	3.0
301.19223	1.5
302.16434	1.9
303.13840	2.6
303.17175	2.9
313.12283	2.6
313.15607	7.9
314.16525	1.6
315.13757	2.3
315.17288	1.7
316.14539	1.8
317.15338	2.3
317.18845	3.2
325.12155	3.1
326.12991	2.1
327.13638	3.8
327.17514	6.0
328.14587	1.6
329.15265	3.2
331.16833	7.0
333.18399	1.9
340.14536	2.6
341.15302	4.6
342.15909	2.0
343.13266	2.4
343.16968	4.4
345.18481	8.4
347.16388	3.0
349.18005	4.5
355.17004	7.3
357.18393	2.5
359.16364	9.2
361.17975	1.6
363.19452	3.4
371.16342	3.9
373.18030	20.1
375.19714	1.9
377.17511	5.6
383.16354	5.1
389.17520	6.6
391.19037	19.9
401.17462	24.8
407.18439	2.9
409.20135	4.4
419.18558	48.2
420.18915	1.8
437.19534	23.9
455.21130	1.7
461.19354	2.5
479.20593	10.7
497.21640	11.0
501.23117	2.0
519.23676	1.6
530.33325	1.6
579.26270	4.2
597.28418	2.8
632.74597	1.4
679.32062	2.6
697.34833	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	697.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
55.01865	1.7
55.05513	63.2
60.90782	1.3
67.05489	3.8
69.03426	2.3
69.07050	2.0
71.55926	1.4
79.05482	3.5
81.07024	2.8
83.04980	100.0
91.05478	10.0
93.07043	7.7
95.04954	3.7
95.08584	4.9
99.04463	1.4
103.05464	5.2
105.03375	5.4
105.07024	11.7
107.04932	1.8
107.08579	5.7
109.02832	1.6
109.06556	1.5
109.10205	1.4
110.61862	1.3
115.05434	3.3
117.06989	5.8
119.04953	1.3
119.06177	1.4
119.08582	12.0
121.06528	3.4
121.10134	2.8
123.11732	1.3
128.06212	1.4
129.06973	3.2
131.04912	11.2
131.08556	6.9
132.05304	2.5
133.06450	5.5
133.10112	9.3
135.08058	3.2
141.06976	1.9
142.07739	3.3
143.08591	7.3
145.06503	5.9
145.10071	7.0
147.08029	6.9
149.09610	3.4
155.08585	2.5
156.09343	5.8
157.06369	1.6
157.10136	11.6
158.10365	1.5
159.04364	1.6
159.08040	5.5
159.11713	4.7
161.06047	6.6
161.09587	5.4
163.07576	2.0
163.11229	1.5
165.07050	1.6
167.08507	1.8
168.09392	2.3
169.10167	8.5
170.10851	3.0
171.08018	4.6
171.11676	15.2
172.11960	2.5
173.05992	1.6
173.09634	7.9
173.13315	1.6
175.07573	2.5
177.05507	1.7
177.09085	2.2
181.10129	3.1
183.08092	1.7
183.11745	12.5
184.12065	1.6
185.09644	4.6
185.13239	7.3
186.13712	1.2
187.07565	1.8
187.11214	2.8
189.05447	2.5
189.12776	1.3
191.10707	1.7
193.10127	3.1
194.10849	1.7
195.08081	2.2
195.11647	5.4
197.09578	4.3
197.13217	3.7
198.10374	1.4
199.07616	1.3
199.11165	10.3
201.09134	2.6
201.12724	2.1
205.10074	2.0
207.11717	2.8
208.12260	1.4
209.09564	3.1
209.13058	2.6
210.10379	1.5
211.07526	1.8
211.11171	3.9
213.09079	2.2
213.12764	8.6
214.13103	3.1
215.10666	2.1
215.14233	1.6
217.08569	2.4
217.12183	2.1
218.10786	1.4
219.11671	4.3
221.13289	3.2
222.13916	1.7
223.11194	3.5
224.12292	1.4
225.09126	2.4
225.12636	2.7
227.10619	1.7
229.12270	3.5
231.11699	3.2
231.13835	3.6
233.13232	3.3
235.11249	2.5
235.14825	1.9
241.12236	4.6
243.11601	2.4
243.13802	2.5
244.12473	3.8
245.09763	1.4
245.13336	2.4
246.10272	2.2
246.13988	2.3
247.11226	1.8
247.14925	1.8
251.10579	1.9
251.14244	3.0
253.12154	1.7
255.11562	2.6
257.13391	2.7
258.13947	2.0
259.13120	2.7
261.12744	2.1
261.16602	1.7
262.13269	2.2
263.14175	4.0
270.13858	1.4
271.10999	1.4
271.14529	1.4
273.14767	1.7
274.13116	1.5
275.14536	1.9
275.17722	1.3
277.15796	2.3
281.15512	1.6
287.14264	3.1
288.14917	2.0
289.15817	2.1
290.16653	1.5
291.17410	1.5
298.13412	2.3
299.14307	1.7
300.15054	1.6
301.15717	3.3
302.16635	1.7
303.13873	2.4
303.17374	3.4
313.15799	3.0
315.17303	1.8
317.15329	2.0
319.16809	1.9
320.17468	2.7
321.18442	2.4
327.17270	2.8
330.16125	1.4
331.16870	5.1
345.14716	1.7
345.18411	2.5
347.16122	1.8
349.18051	1.7
355.16858	2.5
357.18661	1.9
359.16431	3.7
361.18216	2.2
363.19266	3.0
373.17871	5.9
375.19510	2.1
377.17422	3.5
379.15363	2.3
383.16257	2.7
389.17395	2.3
391.19110	8.9
401.17447	7.7
409.20068	2.8
417.20560	1.8
419.18518	21.3
437.19589	21.7
455.20438	1.9
479.20538	3.4
497.21582	8.1
515.22400	1.5
571.23511	1.4
597.27014	2.6
679.31561	1.3
697.33362	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	697.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01872	2.1
55.05516	57.0
58.05754	0.7
65.03949	0.9
67.05498	2.2
69.03428	1.2
69.07061	1.6
70.98952	1.4
76.04224	0.6
79.05514	4.3
81.03417	1.5
81.07068	2.3
83.04987	100.0
83.32174	0.6
84.05302	0.9
85.87416	0.7
91.05489	8.1
93.07056	6.2
95.04966	3.3
95.08628	2.8
97.06556	0.9
99.04461	0.8
103.05473	1.7
105.03415	1.4
105.07043	10.5
106.21204	0.8
107.04969	1.4
107.08608	4.2
109.06538	1.7
111.08161	0.7
115.05496	2.6
117.07033	4.4
119.04962	1.5
119.08591	10.0
121.06516	3.3
121.10151	1.8
123.08082	1.1
128.06233	3.0
129.07045	3.4
130.07799	0.7
131.04955	2.0
131.08589	4.9
133.06493	4.0
133.10156	9.5
135.08064	3.8
141.06970	1.7
142.07852	2.6
143.08569	6.2
145.06508	2.4
145.10156	6.2
147.08046	6.2
149.09604	4.2
151.07626	1.2
153.06982	1.1
155.08533	3.5
156.09386	4.2
157.06543	1.6
157.10126	8.2
159.08064	4.7
159.11732	2.3
161.05984	4.5
161.09654	5.4
163.07559	1.5
165.07039	1.0
167.08597	1.2
168.09309	0.8
169.05031	0.9
169.06467	0.9
169.10130	7.6
170.10941	2.4
171.08098	3.3
171.11700	13.7
173.09682	5.6
173.13347	1.4
175.07588	2.2
175.11215	1.2
177.09068	0.9
179.07112	1.5
179.08588	1.5
181.10197	2.4
183.08102	2.2
183.11711	11.3
183.13199	1.1
185.09682	4.8
185.13237	8.5
187.07472	1.2
187.11226	3.5
189.05486	1.1
189.09154	1.2
191.10782	1.0
193.08559	0.8
193.10155	2.5
195.11810	3.1
197.09653	2.6
197.13272	4.6
198.10507	1.1
199.07629	0.9
199.11214	10.4
200.12003	1.2
201.09177	1.2
201.12785	1.1
203.07022	1.0
203.08763	0.8
203.10635	1.2
205.10184	1.5
206.10970	2.3
207.11714	3.7
208.12450	0.9
209.09749	1.0
209.13274	1.6
211.11195	4.1
213.09201	2.0
213.12744	7.3
215.10707	2.7
217.08403	1.0
217.10275	1.4
217.12280	1.5
218.10956	1.0
219.11800	2.3
220.12558	1.8
221.09727	1.4
221.13411	4.3
223.11275	2.7
223.14815	1.5
225.09102	1.3
225.12834	1.6
227.10698	1.5
229.10301	1.1
229.12206	3.3
230.10985	1.5
231.11899	1.5
231.13763	4.6
232.12476	1.7
233.09792	0.8
233.13348	1.8
234.10428	1.0
234.14160	1.3
235.11273	2.0
235.14890	2.5
236.11931	1.2
237.12859	1.7
239.10764	1.5
239.14418	1.0
241.10204	1.1
241.12355	2.8
243.11919	1.9
244.12584	2.8
245.09598	1.5
245.11571	1.4
245.13452	2.2
246.14079	1.4
247.11307	1.9
247.14975	3.3
248.12093	0.9
248.15712	0.7
248.31558	0.9
249.12909	1.8
249.16508	1.4
251.10869	0.8
251.14322	3.6
253.12328	1.6
255.11786	1.1
256.12369	1.5
257.13361	2.6
258.14133	2.3
259.13358	3.8
259.15253	2.2
260.15750	1.1
261.12817	2.6
261.16425	2.1
262.13779	1.1
263.10699	1.0
263.14432	2.5
265.12320	0.9
265.15875	1.1
267.14035	1.0
269.13309	1.5
270.14157	0.9
271.11276	1.6
271.14880	1.7
273.12830	1.5
273.16534	1.4
274.13416	1.2
275.14413	2.0
275.17963	0.9
276.15164	1.0
277.12589	1.0
277.15976	1.6
279.14108	1.1
283.14688	1.0
284.12076	1.0
285.12848	1.2
285.16492	2.0
286.13620	1.1
287.14453	2.0
287.17999	0.9
288.15198	1.0
289.15985	1.9
291.13977	1.5
291.17520	2.2
296.12009	0.9
299.14261	1.4
300.15179	1.2
301.12750	1.0
301.15903	3.1
303.14038	1.4
303.17477	2.7
305.19009	1.3
307.13480	0.9
307.17117	1.2
312.15091	1.3
313.15930	2.1
315.14120	1.1
315.17651	2.7
317.15366	1.3
317.18851	1.6
319.16922	2.5
321.18692	1.3
327.17499	1.9
329.15414	1.7
329.18991	1.0
331.13470	1.0
331.17102	2.9
333.14795	1.0
333.18539	1.6
341.15341	1.4
343.16980	1.6
345.14883	0.9
345.18622	3.2
347.16483	2.5
347.20218	1.4
349.18155	1.9
355.16837	2.1
357.18762	1.1
359.16583	3.2
360.17358	0.9
361.18082	2.9
363.19583	5.0
371.16602	1.0
373.18042	6.2
375.15686	1.0
375.19839	3.1
377.17596	4.6
379.15320	1.6
381.20694	2.0
383.16534	0.9
389.17606	2.9
391.18994	11.8
393.20847	1.6
395.18579	1.1
401.17444	6.0
407.18634	2.8
409.20154	6.1
419.18539	21.1
433.20041	1.0
437.14313	0.7
437.19650	19.6
438.20425	0.9
451.21426	2.3
453.21710	1.2
455.20801	2.1
469.22223	1.5
479.20453	3.8
497.21655	7.3
519.24060	0.9
537.25031	1.6
567.31909	1.2
579.26166	1.7
597.27026	2.5
625.32104	2.3
637.24158	1.7
697.37311	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.01861	1.9
55.05516	61.0
55.80418	1.5
61.02917	4.0
67.05514	11.9
69.03424	7.4
69.07056	3.9
71.55350	2.8
73.02924	3.0
74.09726	50.0
74.99100	1.5
75.10045	3.6
79.05475	7.3
80.05833	1.5
81.03426	2.8
81.07074	13.2
82.07374	2.4
83.04991	100.0
83.08631	1.9
85.02893	4.5
85.16713	1.4
91.03941	2.3
91.05492	16.7
93.07053	13.4
95.04970	5.9
95.08633	10.8
97.02892	2.9
103.05457	6.6
105.03431	2.1
105.04498	1.9
105.06505	1.4
105.07056	16.8
107.04997	1.9
107.08584	9.9
109.06519	3.5
109.10149	4.7
115.03976	2.6
115.05449	4.3
117.07013	7.2
119.04952	3.6
119.08601	14.6
121.06488	3.3
121.10141	7.1
122.10556	1.7
123.08100	2.0
123.11649	2.5
124.96679	1.5
127.03908	2.1
128.06215	5.3
129.07002	4.9
129.73157	1.7
131.04930	11.8
131.08597	13.2
132.05315	3.0
132.08809	2.0
133.06505	9.2
133.10132	13.6
135.08054	8.6
135.11708	3.5
137.05977	2.0
141.06992	3.0
142.07735	3.5
143.08574	13.0
145.06493	6.5
145.10139	12.4
147.08061	9.7
148.12094	1.7
149.05959	3.4
149.09625	8.2
149.13194	1.7
153.06934	2.6
155.08553	5.3
156.09378	7.7
157.10141	16.7
158.07224	1.9
159.08107	7.5
159.11635	2.8
161.06024	8.4
161.09644	8.0
163.07529	3.2
163.11212	4.3
165.07007	2.7
167.08549	3.0
169.10165	9.4
170.10876	6.2
171.07999	5.3
171.11716	27.4
172.08780	2.4
173.09639	10.1
173.13252	3.0
175.07585	5.9
175.11218	3.0
177.05551	1.6
178.86153	1.6
179.06993	4.6
179.08525	3.3
180.09328	2.4
181.10172	4.3
183.08070	3.8
183.11734	19.8
184.08806	3.2
184.12431	2.0
185.09648	8.3
185.13289	17.6
187.11220	3.8
193.08626	3.9
193.10156	3.9
195.11662	6.0
197.09621	5.2
197.13249	5.5
198.10429	3.9
199.11154	13.5
201.09172	3.1
201.12688	2.8
205.10287	2.9
205.12180	2.8
206.10913	3.9
207.11646	4.1
209.09631	2.1
209.13350	3.1
211.11177	7.2
213.09138	4.9
213.12749	25.5
217.10239	2.3
217.12108	2.5
219.11697	4.5
220.12367	2.8
221.09734	2.4
221.13188	6.3
225.12697	4.0
229.10240	2.2
229.12292	4.7
230.10947	2.1
231.11748	5.1
231.13786	3.8
233.13431	3.1
234.13857	1.9
235.11157	2.3
235.14822	3.6
237.12723	3.3
239.10840	1.7
241.12262	3.5
243.11797	3.0
243.13875	7.1
244.12411	3.6
245.13446	2.6
245.15446	8.9
246.14020	2.9
247.11226	2.0
247.14795	4.8
248.11909	3.4
249.12851	3.8
249.16331	3.3
256.12497	2.9
257.13190	4.9
258.14050	7.7
259.14908	4.7
260.11816	2.0
261.12729	2.4
261.16357	3.1
261.22214	2.8
262.22531	3.5
263.18054	2.3
270.14136	2.4
271.14987	3.6
272.15704	1.9
273.14630	8.2
275.17920	2.5
277.15857	3.6
283.11072	2.1
285.12717	5.0
285.16348	5.8
286.17001	1.9
287.14313	3.2
287.17834	2.4
289.15891	2.7
300.15109	2.5
301.15781	3.5
303.13852	3.4
303.17407	7.3
313.15726	3.0
317.15402	3.1
317.18848	3.2
319.16748	2.7
327.13843	1.9
327.17447	4.9
329.18875	2.3
331.16940	8.7
341.15332	3.8
343.16873	3.8
345.18469	7.3
347.16241	2.4
349.18021	3.0
353.26828	2.5
355.16879	4.9
358.16489	4.2
358.66574	2.2
359.16394	9.9
361.18011	2.9
363.19589	5.2
373.17984	10.8
375.19647	3.9
377.17465	6.4
383.16605	2.3
391.19138	10.3
393.20648	1.9
395.22147	2.4
401.17389	6.4
403.18839	2.0
405.20483	7.3
413.17764	4.6
415.18771	2.6
419.18527	10.6
421.20267	2.5
423.21634	6.1
425.21036	2.3
433.20123	15.5
451.21182	24.2
453.21127	3.9
469.21985	2.7
479.20563	4.0
485.20126	2.2
493.22125	5.5
511.23151	6.0
519.23425	2.4
551.26208	5.4
567.30933	8.3
579.26373	3.0
596.31714	3.4
611.28375	4.4
625.32086	38.1
651.32458	2.2
697.34119	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	697.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
55.01865	1.7
55.05513	63.2
60.90782	1.3
67.05489	3.8
69.03426	2.3
69.07050	2.0
71.55926	1.4
79.05482	3.5
81.07024	2.8
83.04980	100.0
91.05478	10.0
93.07043	7.7
95.04954	3.7
95.08584	4.9
99.04463	1.4
103.05464	5.2
105.03375	5.4
105.07024	11.7
107.04932	1.8
107.08579	5.7
109.02832	1.6
109.06556	1.5
109.10205	1.4
110.61862	1.3
115.05434	3.3
117.06989	5.8
119.04953	1.3
119.06177	1.4
119.08582	12.0
121.06528	3.4
121.10134	2.8
123.11732	1.3
128.06212	1.4
129.06973	3.2
131.04912	11.2
131.08556	6.9
132.05304	2.5
133.06450	5.5
133.10112	9.3
135.08058	3.2
141.06976	1.9
142.07739	3.3
143.08591	7.3
145.06503	5.9
145.10071	7.0
147.08029	6.9
149.09610	3.4
155.08585	2.5
156.09343	5.8
157.06369	1.6
157.10136	11.6
158.10365	1.5
159.04364	1.6
159.08040	5.5
159.11713	4.7
161.06047	6.6
161.09587	5.4
163.07576	2.0
163.11229	1.5
165.07050	1.6
167.08507	1.8
168.09392	2.3
169.10167	8.5
170.10851	3.0
171.08018	4.6
171.11676	15.2
172.11960	2.5
173.05992	1.6
173.09634	7.9
173.13315	1.6
175.07573	2.5
177.05507	1.7
177.09085	2.2
181.10129	3.1
183.08092	1.7
183.11745	12.5
184.12065	1.6
185.09644	4.6
185.13239	7.3
186.13712	1.2
187.07565	1.8
187.11214	2.8
189.05447	2.5
189.12776	1.3
191.10707	1.7
193.10127	3.1
194.10849	1.7
195.08081	2.2
195.11647	5.4
197.09578	4.3
197.13217	3.7
198.10374	1.4
199.07616	1.3
199.11165	10.3
201.09134	2.6
201.12724	2.1
205.10074	2.0
207.11717	2.8
208.12260	1.4
209.09564	3.1
209.13058	2.6
210.10379	1.5
211.07526	1.8
211.11171	3.9
213.09079	2.2
213.12764	8.6
214.13103	3.1
215.10666	2.1
215.14233	1.6
217.08569	2.4
217.12183	2.1
218.10786	1.4
219.11671	4.3
221.13289	3.2
222.13916	1.7
223.11194	3.5
224.12292	1.4
225.09126	2.4
225.12636	2.7
227.10619	1.7
229.12270	3.5
231.11699	3.2
231.13835	3.6
233.13232	3.3
235.11249	2.5
235.14825	1.9
241.12236	4.6
243.11601	2.4
243.13802	2.5
244.12473	3.8
245.09763	1.4
245.13336	2.4
246.10272	2.2
246.13988	2.3
247.11226	1.8
247.14925	1.8
251.10579	1.9
251.14244	3.0
253.12154	1.7
255.11562	2.6
257.13391	2.7
258.13947	2.0
259.13120	2.7
261.12744	2.1
261.16602	1.7
262.13269	2.2
263.14175	4.0
270.13858	1.4
271.10999	1.4
271.14529	1.4
273.14767	1.7
274.13116	1.5
275.14536	1.9
275.17722	1.3
277.15796	2.3
281.15512	1.6
287.14264	3.1
288.14917	2.0
289.15817	2.1
290.16653	1.5
291.17410	1.5
298.13412	2.3
299.14307	1.7
300.15054	1.6
301.15717	3.3
302.16635	1.7
303.13873	2.4
303.17374	3.4
313.15799	3.0
315.17303	1.8
317.15329	2.0
319.16809	1.9
320.17468	2.7
321.18442	2.4
327.17270	2.8
330.16125	1.4
331.16870	5.1
345.14716	1.7
345.18411	2.5
347.16122	1.8
349.18051	1.7
355.16858	2.5
357.18661	1.9
359.16431	3.7
361.18216	2.2
363.19266	3.0
373.17871	5.9
375.19510	2.1
377.17422	3.5
379.15363	2.3
383.16257	2.7
389.17395	2.3
391.19110	8.9
401.17447	7.7
409.20068	2.8
417.20560	1.8
419.18518	21.3
437.19589	21.7
455.20438	1.9
479.20538	3.4
497.21582	8.1
515.22400	1.5
571.23511	1.4
597.27014	2.6
679.31561	1.3
697.33362	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	696.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73346	4.6
52.33790	4.9
53.03950	8.3
55.05515	28.5
56.58123	4.6
57.03431	9.1
61.41213	4.4
65.03925	5.3
67.05182	6.4
67.05508	100.0
69.07069	38.2
71.04993	5.4
71.08597	5.7
71.55871	6.6
72.30371	5.4
74.09691	8.7
79.05494	49.3
81.07055	88.4
83.08606	18.6
85.06538	6.6
91.05482	51.4
93.06485	6.0
93.07038	54.4
95.04954	7.2
95.08604	60.8
97.06519	8.8
97.10149	14.0
105.07026	31.3
107.08595	28.4
109.06503	6.5
109.10154	30.8
111.08051	8.3
117.07023	30.1
117.45073	5.0
119.08595	31.3
121.10122	23.9
123.08063	14.1
123.11696	5.8
125.09630	8.4
129.07014	10.2
131.08559	29.4
133.10114	23.6
135.11646	11.9
137.09628	8.4
145.10089	21.1
147.08058	5.3
147.11674	15.0
149.13286	7.1
155.08617	5.3
157.10130	10.4
159.11707	12.0
161.13234	5.8
171.11717	5.1
173.09663	9.2
186.65758	6.1
201.16391	5.8
204.37105	5.7
245.72403	5.2
257.18970	10.9
271.16971	9.7
275.19928	5.7
277.21844	4.9
289.17929	6.7
331.22650	11.4
337.27325	86.0
349.23804	9.6
363.21658	6.3
381.22556	10.8
381.26724	6.3
442.42096	5.3
484.12692	6.1
503.37790	6.0
585.44751	6.7
611.46545	29.3
625.44330	16.4
629.46881	6.4
640.11560	5.3
643.45886	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	696.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
55.01874	4.0
55.05515	40.1
57.03418	9.1
57.07082	15.9
67.05509	98.6
69.07070	50.3
69.17972	31.1
71.04984	4.8
71.08634	5.7
72.79493	3.7
74.09687	6.6
79.05503	49.8
81.06586	6.5
81.07063	100.0
83.04984	5.6
83.08156	3.5
83.08631	44.6
85.06528	5.2
85.10165	4.9
91.04897	3.7
91.05486	58.7
93.07051	49.9
95.04956	6.1
95.08614	82.5
97.06517	9.5
97.10181	31.6
99.08115	4.2
105.07053	29.5
107.08609	25.0
109.06522	4.0
109.10149	38.9
111.08077	7.5
111.11722	8.8
117.07032	33.4
119.08576	26.4
120.38489	3.3
121.10145	21.8
123.11700	14.3
125.09609	5.8
129.06975	9.9
131.08566	27.9
133.10176	26.2
133.11035	5.2
135.07993	3.3
135.11676	10.6
137.09497	4.3
143.08549	12.8
145.10133	16.0
147.11661	9.6
149.13231	9.6
151.11206	6.7
157.10126	8.5
159.11714	9.6
161.13252	5.8
163.14737	3.5
171.11687	8.1
173.13287	5.3
175.11108	3.3
185.13242	5.5
211.14798	3.5
231.17522	4.3
239.17923	6.8
257.19009	21.4
267.53125	3.3
275.20038	14.6
299.44937	3.6
331.22644	25.8
349.23755	14.3
355.28452	85.8
381.26309	10.0
467.37341	5.3
546.83746	3.9
584.43774	10.3
585.44720	8.2
589.95020	3.3
603.46265	40.0
611.46484	14.0
625.23877	5.6
629.47656	20.7
647.48389	3.8
661.50665	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	696.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
53.23969	0.7
55.05513	6.7
56.05042	3.2
56.19278	0.7
57.03444	1.0
57.07077	3.4
60.04526	1.7
67.05508	11.8
68.05041	1.0
69.03429	1.9
69.07065	7.6
69.28757	6.3
70.06586	1.3
70.72082	0.7
71.08620	1.6
73.83808	0.7
79.05502	8.1
80.05019	2.2
81.03402	0.9
81.05812	1.9
81.07056	9.3
82.06582	5.5
83.08640	4.2
85.02904	2.1
85.10169	0.8
91.05479	7.1
93.07053	6.0
94.06571	17.4
95.04963	0.9
95.07354	6.3
95.07901	0.8
95.08013	0.8
95.08611	8.3
96.08128	5.5
97.02883	1.7
97.10166	2.9
98.20779	1.0
99.08093	0.6
101.44318	0.6
104.40412	0.6
105.07037	5.8
107.08599	5.3
108.08121	2.7
109.10138	2.5
119.08588	5.1
120.08234	0.7
121.10172	4.1
122.09672	1.7
123.11730	1.3
125.62479	0.6
133.10153	3.1
135.11691	2.8
136.11154	0.8
145.70145	0.7
161.13332	0.7
163.14787	0.7
230.94649	0.6
233.22684	2.7
245.22623	4.8
250.25310	5.8
254.24887	1.1
259.00198	0.7
262.25317	100.0
263.25751	1.5
264.26993	1.0
272.25864	4.5
280.26242	4.9
300.54318	1.1
312.25336	1.0
466.90186	0.6
504.47931	4.4
516.47821	28.3
517.47772	1.0
518.49390	8.5
534.48767	8.1
696.54321	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.0
55.01871	7.0
55.05516	39.8
57.03434	10.6
57.07069	8.2
65.03933	5.1
67.05510	96.0
69.03416	3.7
69.07074	41.6
70.06594	5.2
71.04977	5.7
71.08630	15.4
78.04712	2.2
79.05499	72.0
81.03421	13.9
81.07066	100.0
83.05008	15.2
83.08633	26.3
85.02862	2.3
85.06537	5.9
85.10209	2.5
91.05489	61.6
93.07053	76.8
95.04980	19.2
95.08054	4.0
95.08615	52.0
95.09177	4.7
97.06539	13.7
97.10191	14.3
99.08107	8.7
105.04544	2.7
105.07040	42.6
107.04976	7.5
107.08606	40.2
109.06543	7.1
109.10178	21.0
111.08091	9.0
113.06010	2.2
115.05495	2.9
116.07088	5.8
117.07037	23.6
117.85979	2.2
119.08577	33.3
121.06521	7.9
121.10142	27.1
123.08075	7.2
123.11697	6.0
125.09644	7.9
129.07027	12.0
131.08578	27.2
133.06491	3.0
133.10129	30.6
135.08084	4.0
135.11679	20.1
137.09622	3.5
139.11169	3.7
141.06981	4.1
143.08586	10.3
143.62317	2.3
145.10146	20.1
147.08141	4.7
147.11719	14.0
149.09633	10.5
149.13290	15.3
151.11238	11.5
151.50314	2.4
155.08537	4.9
157.10161	8.5
159.11728	20.0
161.09651	3.4
161.13275	8.4
163.11165	12.4
165.12759	4.6
169.10138	4.6
171.11703	7.2
173.13298	7.1
175.14883	3.5
177.12816	5.1
179.14381	6.5
183.11705	3.8
185.13281	6.5
189.11206	3.3
195.13754	5.5
197.13297	3.0
199.14864	3.8
227.12843	10.7
229.14366	2.8
239.18056	3.6
251.16356	4.8
255.15872	8.5
257.19000	6.2
259.20578	5.8
267.16019	3.9
267.49023	2.4
269.17493	30.6
273.18466	4.0
275.20132	23.6
277.21677	13.9
297.42178	2.8
349.23874	16.6
351.25278	25.4
367.24896	3.3
449.29001	13.7
463.30630	22.4
505.38785	10.2
527.37427	3.6
531.37067	3.6
543.37006	19.2
545.38446	14.5
549.35944	3.7
561.37726	3.3
625.44019	8.2
643.45178	5.1
696.41101	4.6
697.42609	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	696.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01870	5.2
55.05513	27.6
57.03447	7.6
57.07082	8.1
57.07314	1.5
61.02930	26.9
65.03925	2.5
67.05508	62.0
69.03439	9.4
69.07072	23.4
70.66785	1.5
71.04985	2.4
71.08634	4.6
71.55457	1.8
73.02925	7.9
79.05493	19.0
81.03428	8.4
81.07060	74.4
83.04984	21.9
83.08623	19.8
85.02908	26.8
85.03377	2.5
85.06549	2.1
85.10167	3.4
91.03963	22.6
91.05486	19.5
93.07050	21.0
95.04984	2.8
95.08607	62.7
97.02882	12.2
97.06541	6.6
97.10184	10.8
99.08083	3.0
103.05466	2.6
105.03404	2.3
105.07034	13.2
107.04983	3.7
107.08611	16.2
109.10162	39.6
111.08083	4.5
111.11731	2.9
115.05451	3.4
117.07059	2.7
119.08581	17.8
121.10150	23.7
123.08061	1.8
123.11732	16.5
127.03906	10.3
128.06209	3.4
129.07025	6.8
131.04977	6.4
131.08569	5.0
133.06561	1.9
133.10126	17.7
135.08067	2.8
135.11679	10.8
137.13266	6.3
141.12758	2.1
142.07780	4.6
143.08594	4.1
145.04987	10.4
145.06476	4.4
145.10143	4.1
147.08055	20.2
147.11726	11.6
149.09552	1.9
149.13310	8.2
151.14838	5.1
155.14287	4.6
156.09335	3.1
157.10164	8.3
159.08049	12.0
159.11711	3.8
161.09639	10.5
161.13287	9.7
163.06042	17.0
163.07520	5.8
163.14827	10.4
165.16399	7.4
167.14165	1.5
169.10190	2.8
170.10916	2.4
171.08104	2.6
171.11702	11.6
173.06010	1.9
173.09669	7.6
175.07571	6.5
175.14842	10.3
177.16399	2.0
179.17946	6.0
181.10068	2.8
183.11635	7.1
185.09650	4.4
185.13293	4.8
187.11186	3.6
189.16362	3.3
197.09686	2.1
197.13275	2.3
199.11205	4.1
207.17468	1.7
211.11229	3.1
213.12756	6.2
217.12167	2.0
217.19464	2.2
223.11110	1.8
229.12274	3.6
231.13730	7.8
237.12906	1.9
241.12263	4.1
245.22655	61.7
259.13184	8.3
262.13678	1.6
263.23712	100.0
264.23917	2.0
265.25214	2.0
273.12714	1.9
281.24756	2.4
299.14136	1.7
313.15945	2.6
315.13824	2.1
315.17349	1.6
317.18918	2.2
327.17487	2.1
329.18982	2.2
337.27380	65.6
338.27774	2.0
345.18713	3.1
347.16483	2.2
355.28442	18.8
359.20029	2.6
369.18564	3.0
375.19507	2.7
377.20972	5.5
387.19635	12.6
389.21170	1.9
405.20569	17.8
435.21344	2.9
447.21271	2.1
453.23209	2.2
465.22620	5.4
491.24161	1.6
499.32550	7.5
551.26526	3.6
633.30298	6.1
651.31415	3.0
696.26160	2.0
696.37231	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
54.73779	1.1
55.01866	4.2
55.05515	32.8
56.05028	2.4
61.86452	0.9
65.43725	0.9
67.05505	2.5
69.03433	2.0
69.07081	1.0
70.06584	4.9
71.55288	1.3
72.04496	2.2
74.06084	5.3
75.43021	0.9
79.05505	6.0
81.03387	1.0
81.07045	3.5
82.02940	11.1
83.01349	1.1
83.04985	44.4
91.05478	8.4
91.50174	0.9
93.07058	5.9
95.04955	2.9
95.08591	2.8
97.06542	0.9
98.06061	13.5
103.05467	15.6
104.05791	3.6
105.03408	2.5
105.07034	12.0
107.08604	4.6
108.04506	2.0
109.06528	1.8
109.10155	1.0
110.06059	2.3
115.05466	4.1
117.07034	8.7
118.17465	0.9
118.58999	0.9
119.08595	11.1
121.06459	1.5
121.10137	2.7
122.06068	1.1
124.07605	1.0
126.05523	100.0
127.05811	1.2
127.07546	1.8
128.06239	3.2
128.07079	1.4
129.07024	5.0
131.04935	31.2
131.08583	8.7
132.05246	7.2
133.06502	4.1
133.10133	13.6
140.07082	1.3
141.06960	2.2
142.07813	5.1
143.08551	8.1
144.09219	1.5
145.06476	4.0
145.10121	7.5
147.08014	3.2
149.09616	3.6
152.07068	1.1
154.07745	1.1
155.08522	3.4
156.09337	7.7
157.06503	1.6
157.10136	15.2
159.08107	6.3
159.11702	7.0
161.05975	11.4
161.09651	7.4
162.06241	2.4
162.09146	1.5
163.11211	1.1
165.07050	1.6
167.08589	1.7
168.09348	1.9
169.06377	1.0
169.10106	8.0
170.10918	6.1
171.08067	4.0
171.11693	26.9
171.13142	1.9
172.08835	1.9
173.05988	1.2
173.09621	5.2
173.13263	2.8
176.10721	2.8
177.09119	1.5
178.12288	3.8
179.08563	1.7
180.09213	1.0
181.10121	3.9
182.10835	1.8
183.08116	2.7
183.11705	28.7
184.08830	1.4
184.12070	2.2
185.09669	4.8
185.13271	24.3
186.09119	2.6
187.07578	1.1
187.11182	4.3
187.14836	1.7
188.10710	14.5
190.12305	2.3
191.08595	1.2
193.10176	4.0
194.10698	1.2
195.11743	5.6
196.08768	1.2
197.09627	3.8
197.13266	4.7
198.10318	2.8
199.07706	1.3
199.11270	8.2
200.10608	1.1
201.12770	3.1
202.12274	1.1
203.14346	1.1
204.10260	6.0
205.10330	1.1
206.11795	50.5
207.11720	4.8
208.12601	1.5
209.09634	1.6
209.13278	2.4
211.11212	4.2
213.09123	1.2
213.12749	23.0
214.13222	1.0
215.10561	1.7
215.14348	1.6
216.10027	1.4
217.10155	2.5
218.11867	6.7
219.11661	2.1
220.13191	4.1
221.13205	3.1
222.11273	4.1
223.11188	2.2
225.09322	0.9
227.10738	1.4
229.10234	2.2
229.12286	2.2
230.11063	1.8
231.11629	3.9
231.13899	3.7
232.09694	7.8
232.12619	3.8
233.13264	4.3
233.15343	2.1
234.11194	4.5
234.13777	1.3
235.14766	2.6
239.14357	1.2
241.12238	3.7
243.11633	2.8
243.13846	4.0
244.12869	6.1
245.13153	4.5
245.15413	11.8
246.14063	3.0
247.11266	1.8
247.14757	3.9
248.13046	1.1
248.15651	1.4
249.12650	1.9
249.16393	3.0
251.14380	1.4
255.13930	1.5
256.13272	3.1
257.07993	2.3
257.13092	2.6
257.15601	1.4
258.14285	4.7
259.15039	8.0
260.12173	1.3
260.15500	2.3
261.12619	1.7
261.16345	3.1
262.13477	1.5
269.13235	2.6
270.14316	2.0
271.14795	2.4
272.12167	1.4
273.14514	10.7
275.14417	2.2
275.17813	1.2
277.15976	3.9
281.13077	1.3
283.14743	2.0
285.12790	1.3
285.16278	1.4
286.14151	3.4
287.14227	3.5
287.17569	1.3
288.16046	4.6
289.15784	3.1
290.16949	1.6
291.15747	1.3
291.17722	1.1
298.14243	2.0
299.17825	2.5
300.15005	1.3
301.15826	3.9
302.16800	1.2
315.17328	1.1
318.17017	4.9
319.16812	2.3
320.17288	1.2
357.18384	1.3
372.19681	1.1
374.20944	3.3
376.22855	2.0
386.21289	6.9
388.22717	1.7
390.24426	2.0
400.22891	7.8
404.14236	1.8
404.22162	3.9
410.21359	1.8
416.22379	7.6
418.23941	8.2
420.25226	1.3
428.22229	13.2
432.24887	1.1
434.23291	1.8
446.23331	20.3
447.23502	1.2
448.24933	10.1
450.26260	3.7
460.24887	11.3
464.24323	9.7
478.25864	12.6
496.26883	4.9
516.28729	1.6
518.29205	1.3
528.27478	3.2
536.19751	1.7
546.28906	5.3
548.20404	1.2
560.29700	2.3
564.29620	8.2
578.31213	6.6
582.30090	1.5
596.31415	3.6
646.33038	2.0
664.34814	26.1
678.36212	7.0
696.25598	2.5
696.37427	20.3
697.37555	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
55.01878	14.0
55.05263	4.5
55.05510	57.6
57.07029	2.7
57.42268	2.5
63.08897	2.3
65.61306	2.8
67.05495	17.2
69.03439	23.9
69.07061	8.9
69.28872	17.1
69.29292	6.1
74.76994	2.4
79.05505	14.9
81.03409	10.6
81.07056	15.5
83.04983	100.0
85.02889	3.0
91.03980	3.3
91.05474	31.5
93.07056	14.9
95.04972	9.6
95.08589	13.4
97.06496	3.6
100.11250	6.4
103.05444	6.8
105.07034	19.5
107.04943	10.4
107.08578	11.2
109.06479	4.4
109.10136	8.5
115.05441	9.4
117.06994	17.8
119.08580	33.3
121.06490	6.2
121.10140	6.1
123.08003	3.3
123.11707	2.9
128.06233	8.9
129.07039	19.5
131.04903	13.5
131.08583	19.9
133.06453	4.1
133.10121	21.2
135.08064	7.9
141.06950	6.1
142.07761	6.9
143.08569	16.4
145.06491	17.2
145.10138	17.0
147.08046	72.2
147.11632	3.0
149.09602	5.4
155.08540	6.3
156.09375	14.5
157.10143	35.0
159.08078	37.0
159.11699	7.9
161.09628	39.6
163.06184	3.4
163.07533	8.7
165.07022	4.7
167.08617	5.7
168.09419	4.0
169.10097	14.7
170.11018	5.5
171.08043	8.7
171.11679	50.0
173.06000	8.1
173.09619	29.9
175.07545	21.4
175.11198	5.7
181.10071	4.7
182.10757	3.3
183.08098	4.3
183.11710	24.4
185.09647	16.8
185.13231	32.5
187.07608	3.3
187.11147	10.1
187.14842	3.1
189.09143	4.9
191.10799	4.1
193.10062	3.4
195.11679	9.4
197.09634	9.1
197.13264	8.2
199.07603	3.2
199.11179	23.2
200.11948	5.7
201.09108	6.2
201.12790	4.4
205.10219	3.6
207.11725	6.6
209.09613	5.9
209.13101	3.9
211.11189	4.5
213.09076	5.4
213.12686	21.8
215.10631	8.8
215.14400	2.9
217.08560	6.9
217.12177	6.6
221.13376	4.3
223.11214	4.9
225.12802	2.9
227.10640	6.5
229.12282	10.1
231.11757	7.0
231.13803	39.9
233.13229	4.1
235.11128	3.2
235.14833	3.5
237.12692	5.5
241.10118	3.1
241.12259	19.6
243.09918	4.4
244.12366	4.0
245.11586	6.5
245.22638	6.6
247.11043	5.9
249.12672	3.4
251.14276	5.1
259.13223	39.5
261.12802	3.5
263.23703	11.5
271.14880	4.0
273.12784	2.9
285.16156	3.3
287.14233	5.2
289.12405	3.3
289.15829	6.8
297.12488	5.6
298.13416	3.5
299.14481	4.8
300.15228	3.3
301.15836	5.0
311.14304	6.4
312.15005	4.3
313.15686	6.7
315.17374	8.5
327.13803	3.7
327.17398	8.8
328.18207	4.8
329.15210	6.7
337.27393	8.9
341.18915	9.0
345.14819	3.8
345.18619	9.8
347.16196	3.3
354.16248	3.1
359.20096	15.1
369.18567	14.8
375.19446	8.3
377.21127	16.3
387.19556	56.0
405.20624	77.0
423.21582	11.1
447.21472	12.4
465.22711	31.5
491.24481	3.4
533.24976	9.1
547.26044	3.7
551.26086	18.5
565.27313	7.3
595.57068	3.2
633.30493	23.2
648.37854	2.8
651.31628	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	696.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01868	3.4
55.05511	52.0
56.05022	3.1
57.03436	2.3
64.15227	2.0
67.05498	5.9
69.03433	4.2
69.07047	2.2
70.06594	4.9
70.84100	2.2
72.04504	2.8
74.06071	4.5
79.05488	8.0
81.07057	5.7
82.02941	11.4
82.06532	2.3
83.04483	3.8
83.04980	76.8
84.05300	2.7
91.05486	13.6
93.07047	9.2
94.81082	2.0
95.04966	6.1
95.08603	3.7
96.04471	2.6
97.06502	2.7
98.06040	16.7
103.05463	48.1
104.05796	8.8
105.03390	5.9
105.07021	24.2
106.07407	2.9
107.08577	6.7
108.04400	2.0
109.06480	3.4
109.10156	2.4
110.06004	3.9
115.05460	7.7
116.00186	2.1
117.07001	14.8
119.08581	20.2
121.06497	3.7
121.10145	5.7
122.05988	2.1
126.04584	4.9
126.05515	100.0
128.06236	5.7
128.07140	2.1
129.07034	10.4
130.07780	3.9
131.04933	90.0
131.08582	9.8
132.05283	18.2
133.06487	10.0
133.10130	23.1
135.08072	2.6
141.06981	4.2
142.07764	8.1
143.08615	9.5
145.06490	7.9
145.10109	10.2
146.10529	2.7
147.08075	4.8
149.09618	7.3
155.08580	6.7
156.09331	10.0
157.06453	2.3
157.10143	18.3
159.08018	6.1
159.11720	7.4
161.06018	25.4
161.09650	9.6
162.06337	6.6
163.11244	3.1
167.08560	4.2
169.10144	9.1
170.10875	9.1
171.08057	5.0
171.11679	33.8
172.08827	3.5
172.12038	2.6
173.09662	9.8
173.13300	6.5
176.10799	2.4
177.09082	4.5
178.12230	3.7
179.08667	3.1
181.10165	4.0
183.08092	3.5
183.11682	40.1
184.12086	2.3
185.09627	8.1
185.13290	28.7
186.09116	4.5
187.11237	5.1
187.14804	3.0
188.10690	15.5
189.09140	3.0
192.66631	2.2
193.10223	3.0
193.12041	2.1
195.11734	11.7
197.09634	4.9
197.13239	10.0
198.10300	5.1
199.07648	2.3
199.11226	16.1
200.11096	2.3
201.12796	4.6
202.12312	3.4
204.10248	9.5
206.11778	67.4
207.11731	7.2
208.12383	2.5
209.09686	3.5
211.11194	6.0
213.09180	3.5
213.12712	36.8
214.12866	2.3
216.10110	2.3
217.10226	3.0
217.12300	3.6
218.11699	8.6
219.11795	4.3
220.13367	4.3
221.13211	6.0
222.11295	6.6
223.11255	4.1
225.09119	2.8
228.09155	2.7
229.10178	3.6
229.12308	3.2
231.11664	5.1
231.13806	4.8
232.09740	11.0
232.12170	2.9
233.13335	4.7
234.11240	5.9
234.13773	2.2
235.14896	3.0
241.12250	4.9
243.11742	5.0
243.13899	3.8
244.12726	8.9
245.13226	6.4
245.15450	13.6
246.13727	3.1
247.11249	3.8
247.14833	10.5
249.12923	2.6
249.16360	4.1
251.14270	2.7
255.13829	4.4
256.13000	4.2
257.08041	3.9
258.08398	4.4
258.14282	7.2
259.15170	11.0
260.15445	3.5
261.12720	4.3
261.16415	4.1
262.13519	2.2
269.13065	2.2
270.14667	4.9
271.11240	2.5
271.14786	2.1
273.14511	13.4
274.16928	2.2
275.14240	3.9
277.15875	3.6
285.16129	2.8
286.14059	4.5
287.14227	2.4
288.15860	6.2
289.15945	3.1
300.15460	2.3
300.18805	2.1
301.15878	5.3
302.16699	3.1
305.14920	2.7
318.16922	4.4
325.15579	2.6
374.21304	2.4
386.21155	9.2
391.21042	3.0
400.22714	6.4
403.13983	3.4
404.14255	5.1
404.22375	5.4
416.22403	9.6
418.23743	9.2
428.22067	17.4
434.23199	3.3
436.22360	2.4
446.23245	23.7
448.24976	10.2
450.26187	2.7
452.20978	2.3
460.24747	13.3
464.24280	8.4
474.23584	2.3
478.25830	15.9
496.26474	3.7
528.27655	3.3
546.28369	6.1
560.29749	2.4
564.29364	9.3
578.30975	5.6
596.30786	3.2
628.32751	3.0
646.33093	3.2
664.34717	33.9
665.34277	2.7
678.35913	7.6
696.25177	4.8
696.36658	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
55.05514	15.1
55.17197	1.1
56.02435	1.2
56.05012	2.1
67.02819	1.1
67.05497	4.5
67.73322	1.1
69.03422	2.7
69.07061	2.4
69.33542	11.2
69.81936	1.1
70.06591	3.5
70.93143	1.3
72.04505	5.4
74.06086	6.4
75.53169	1.3
79.05470	4.9
81.03417	3.4
81.04767	1.2
81.07047	4.7
82.65736	1.3
83.04985	23.8
85.02953	1.6
86.06073	2.9
87.04427	1.3
88.07618	4.5
91.05482	5.8
93.07041	5.3
93.99256	1.3
95.04967	2.7
95.08596	3.5
98.06052	3.9
100.07599	1.3
103.05482	7.0
104.07109	1.2
105.03389	3.4
105.07046	10.0
107.04956	1.5
107.08584	7.3
109.06499	3.5
109.10151	3.8
114.05534	9.9
115.05445	2.4
116.07097	7.9
117.07011	4.4
119.04918	1.7
119.08614	10.2
121.06532	3.0
121.10154	2.8
123.08102	2.0
126.05515	2.5
128.06235	1.6
129.06998	2.6
131.04933	17.2
131.08612	6.7
132.06549	2.0
133.06483	3.1
133.10156	9.3
135.08058	5.2
137.09654	1.5
141.06964	1.5
142.05013	7.1
142.07820	1.8
143.08580	5.5
144.06567	100.0
145.06396	2.9
145.10123	6.2
147.08060	4.1
149.09621	1.7
151.11208	2.0
152.05695	7.1
153.06995	1.2
155.08522	2.2
156.09358	4.5
157.10127	9.7
158.77588	1.3
159.08116	3.0
159.11732	3.0
161.05995	3.0
161.09605	4.2
163.07558	4.5
163.11234	1.9
165.09155	1.3
167.08505	2.1
169.10085	5.3
170.10880	3.0
171.08044	4.0
171.11725	11.8
173.09610	4.8
173.13231	1.2
175.07596	2.9
177.09186	1.7
179.08516	2.1
180.09338	1.7
181.10132	2.7
183.08041	1.9
183.11688	9.5
184.08844	2.0
185.09584	2.7
185.13264	9.1
187.11165	3.0
191.10686	1.6
193.10121	2.3
195.11699	3.5
197.09657	3.1
197.13277	3.7
198.10434	3.1
199.11159	4.4
201.12825	3.0
203.10609	1.6
206.10889	1.8
207.11819	2.9
209.09660	1.8
209.13263	1.6
211.11163	4.0
213.09306	1.9
213.12740	14.6
215.10513	1.7
217.08537	1.6
218.11079	1.5
219.11853	2.9
220.12398	1.8
221.13274	3.8
223.11137	1.6
223.14914	2.7
225.12784	1.8
229.10237	2.1
229.12267	3.3
230.10980	1.9
231.11813	2.3
231.13705	6.4
232.12489	2.1
234.14003	2.2
235.11189	1.8
235.14755	1.9
237.12714	2.7
241.12317	3.1
243.14023	1.4
245.13257	2.3
246.14012	1.5
247.11099	1.9
247.14926	2.9
249.12769	3.4
249.16324	4.1
251.14192	1.6
251.18338	1.6
253.14331	4.4
259.13312	2.4
261.16397	3.1
262.13446	1.7
263.14438	2.2
265.15939	2.4
267.17444	1.5
273.14752	1.7
275.14398	1.5
275.17969	1.8
276.15067	1.6
277.15884	2.6
279.17441	1.9
287.14182	1.7
289.15839	2.0
291.17502	2.6
295.16968	3.5
301.15683	1.9
303.17346	2.1
305.19049	1.6
307.16971	2.9
309.18488	3.9
319.17004	2.6
321.18649	2.5
331.16843	2.8
337.18271	1.3
339.19543	3.1
345.18494	2.7
347.16333	1.6
349.18008	3.1
351.19241	1.7
355.19043	2.0
361.17996	1.4
363.19339	2.1
367.18991	2.7
369.20648	3.5
373.17892	4.1
377.17392	3.0
387.21756	14.4
391.18951	4.0
395.18442	3.4
401.17432	2.6
409.20093	3.7
419.18423	4.6
433.20132	1.7
437.19791	6.3
438.19135	1.6
451.21005	2.4
455.20682	3.2
463.26883	2.2
469.22137	5.5
473.21735	1.9
487.23590	2.5
497.21695	3.3
512.26141	3.1
518.25208	1.6
529.24561	2.1
530.27563	12.2
547.25513	2.3
555.26428	3.0
569.27350	3.9
573.26691	2.2
579.25909	1.4
597.26611	2.4
629.29700	3.2
647.30414	2.4
678.32880	15.0
696.33289	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	696.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21869	3.0
53.03946	9.8
55.01880	15.8
55.05507	11.6
57.03426	5.8
57.40318	2.7
61.02926	21.1
67.05511	38.1
68.05833	8.9
69.03430	5.4
69.07082	16.1
73.02917	8.1
79.05509	24.9
81.03410	9.2
81.07070	40.7
82.07384	13.6
83.04973	5.5
83.08599	4.8
85.02909	20.4
91.03960	16.6
91.05498	24.1
93.07050	34.1
94.07362	9.0
95.04994	17.4
95.08620	30.8
96.08958	8.5
97.02901	12.7
97.06525	5.7
98.97574	5.0
103.05477	8.4
105.03402	100.0
105.04491	5.5
105.07036	26.5
107.08602	21.5
108.08934	6.6
109.06508	6.2
109.10184	20.5
110.10507	6.8
115.05474	7.4
116.06264	4.3
117.07037	14.9
119.08593	31.3
119.96863	3.0
121.06504	5.5
121.10171	23.8
122.10495	6.9
123.11681	6.6
127.03991	3.3
128.06235	5.9
129.07002	15.7
131.04930	7.4
131.08572	21.5
133.10144	24.7
135.08061	4.6
135.11722	12.1
136.11978	4.5
138.13615	3.3
142.07796	5.1
143.08556	15.5
145.04987	6.5
145.06493	14.9
145.10147	13.8
147.08061	59.5
147.11714	8.6
149.09621	6.7
149.13254	5.8
150.13625	3.7
155.08656	4.2
156.09367	9.3
157.06511	4.3
157.10152	25.0
159.08112	34.1
159.11702	11.4
161.09622	37.2
161.13324	4.1
163.06030	9.7
163.07373	3.8
164.15366	3.2
167.08632	4.6
169.10156	10.6
170.10921	7.3
171.08087	11.1
171.11691	37.1
173.06000	5.6
173.08296	3.2
173.09525	17.5
173.13261	12.6
174.13716	4.4
175.11172	4.6
179.10646	3.7
181.10071	6.6
183.11722	18.3
185.09634	14.4
185.13281	32.1
187.07399	4.0
187.11230	9.7
187.14796	3.3
193.10165	5.1
194.10899	4.6
195.11731	7.3
197.09673	7.6
197.13353	7.6
198.10379	3.7
199.11241	19.6
201.09189	5.0
207.11752	5.5
209.09604	5.0
213.12761	41.2
215.08694	4.1
215.10646	5.7
218.10889	3.0
221.13339	4.3
223.11203	5.2
229.12181	4.2
230.10912	3.5
231.11884	4.9
231.13895	7.6
237.12717	5.3
239.10774	3.3
241.12283	5.0
243.11746	4.7
243.13968	4.4
243.21107	11.8
244.21371	6.2
245.15396	20.0
245.21802	6.9
247.11195	4.6
249.12863	6.0
251.14348	4.5
255.14005	4.5
259.13452	10.1
261.22156	27.4
262.22507	32.3
263.16629	5.0
263.22769	11.6
273.14978	14.7
275.14090	4.7
291.16025	13.5
297.12833	6.6
301.15683	4.4
311.14169	3.6
313.15765	5.1
315.17346	3.6
317.18747	6.2
323.16504	4.5
327.17484	13.0
336.26108	4.6
341.19000	8.7
345.18506	6.9
353.26776	13.1
354.27335	16.2
355.27417	15.3
358.16449	8.7
359.20044	8.3
361.17975	3.3
387.19312	10.8
389.21243	6.9
391.22382	4.9
401.21011	19.4
405.20502	15.3
419.22159	41.2
437.23343	31.9
461.23145	5.9
465.22522	11.4
479.24323	10.3
497.25610	20.0
559.27197	4.3
570.24170	3.4
587.25958	7.7
601.28119	7.7
615.32025	10.9
619.29279	31.5
696.84570	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	696.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
53.78725	0.7
55.01863	1.3
55.05511	5.3
56.05029	2.7
57.03427	1.4
58.06597	2.1
58.55901	0.6
61.02913	0.9
64.38895	0.7
67.05500	4.4
68.05004	0.9
68.75146	0.7
69.03426	2.4
69.07069	1.5
69.18555	1.5
69.18968	6.1
70.06604	3.8
70.84533	0.7
71.04976	1.1
72.04518	5.4
73.60106	0.6
74.06083	4.5
77.48938	0.6
79.05489	4.3
81.03423	3.8
81.07056	6.5
82.07378	0.8
83.04982	9.1
83.08613	0.9
84.04531	0.8
85.02918	1.4
86.06067	4.1
86.09682	0.9
88.03983	0.9
88.07641	7.2
91.05488	6.8
93.07050	5.2
94.99931	0.7
95.04971	4.4
95.08619	3.3
96.04474	0.9
97.06523	1.2
98.06059	5.5
99.04428	0.7
100.07628	0.8
103.05470	7.7
104.07108	2.3
105.03407	6.0
105.07027	6.9
107.04946	0.7
107.08601	5.7
108.04532	0.6
109.06532	1.9
109.10162	5.4
114.05521	10.2
115.05434	1.3
116.07086	10.0
117.07024	2.0
119.08577	6.9
121.06503	2.0
121.10132	2.8
122.06068	0.8
123.08093	2.8
123.11705	1.3
126.05521	3.2
127.06302	1.2
128.06204	1.2
128.07085	2.0
128.20665	0.6
129.07013	2.6
131.04938	15.0
131.08572	4.0
132.06549	2.7
133.06511	2.9
133.10158	7.0
135.08051	3.4
135.11668	0.8
136.07556	0.7
140.07065	1.1
141.07028	0.7
142.05022	5.7
142.07779	1.4
143.08571	4.7
144.06567	100.0
145.06479	2.0
145.07437	1.2
145.10126	4.2
147.08052	2.6
147.11716	1.3
149.05972	0.8
149.09660	2.3
151.11172	1.9
152.05702	4.8
152.06804	1.1
153.07001	0.8
155.08478	0.9
156.09415	1.6
157.10147	6.1
159.08041	3.3
159.11693	3.2
161.05991	1.9
161.09673	3.2
162.07748	1.2
163.07590	4.0
163.11214	2.2
167.08467	0.9
168.06599	1.2
169.06624	0.8
169.10143	3.3
170.10933	2.2
171.08058	3.6
171.11678	7.3
171.93948	0.7
173.09663	3.9
173.13286	0.8
175.07513	2.0
177.09094	0.8
179.08578	0.9
179.10681	1.1
180.09312	0.9
181.10069	1.0
183.08064	1.3
183.11693	6.6
184.07343	0.9
184.08838	1.0
185.09685	2.2
185.13258	5.6
187.11174	1.7
188.10760	0.8
189.09099	0.8
192.09201	0.6
193.10155	2.3
193.12303	1.9
194.10989	0.7
195.11728	2.1
197.09659	1.7
197.13313	1.8
198.10420	1.6
199.11189	3.5
200.11963	1.3
201.09193	1.2
201.12772	1.2
205.12183	1.1
207.11716	2.1
208.12424	0.9
209.09618	1.0
209.13300	1.6
211.11189	3.3
213.12732	13.7
213.14781	0.8
214.13161	1.2
215.10741	1.2
215.14436	1.3
217.10291	1.4
217.12286	1.0
219.11768	1.6
221.13237	2.5
223.11246	1.3
223.14798	1.2
225.09204	0.8
225.12738	1.3
230.10995	1.1
231.10019	1.1
231.11929	0.9
231.13876	1.8
232.12444	1.6
233.13338	1.9
234.14101	1.0
235.11185	1.0
235.14862	1.4
237.12732	1.9
237.16469	0.9
238.13469	0.8
241.12239	1.1
243.13875	1.2
244.12399	0.9
245.13309	2.2
245.15503	1.2
246.10771	1.0
246.14188	1.1
247.11192	1.1
247.14890	1.9
249.12979	0.7
249.16495	2.0
250.14200	1.1
251.14427	1.0
251.18050	0.8
253.14380	9.2
255.13898	0.9
257.13412	0.8
258.13925	1.1
259.15112	1.1
261.12827	1.7
261.16388	2.1
262.13513	0.8
263.14157	0.8
263.17981	0.9
265.15894	1.9
267.15967	2.4
271.15524	3.2
272.15854	0.8
273.12424	0.9
273.14685	4.0
275.14468	1.1
275.17816	1.1
277.15875	2.8
279.14191	1.0
279.17453	1.7
285.16364	0.8
289.15933	1.2
290.17456	1.7
291.16495	1.0
291.17261	1.0
295.16913	2.8
301.16260	0.8
303.17380	1.0
307.16931	1.2
309.18680	3.2
319.16733	1.9
337.18002	2.4
360.17737	0.8
361.17896	0.8
367.18497	1.0
369.20676	3.9
386.21017	1.0
387.21695	14.1
389.17386	0.7
395.18582	0.9
409.19809	1.2
412.22946	0.8
419.18427	2.1
421.20615	0.8
437.19794	1.4
445.25607	1.9
447.91290	0.8
455.20480	1.1
458.23227	2.4
463.27048	6.4
476.24167	0.7
497.21591	1.1
512.26575	3.0
516.29742	3.1
517.25842	0.7
518.25800	1.2
530.27588	12.3
534.30634	2.3
535.26770	1.2
536.26318	2.5
568.28424	0.8
573.27728	0.8
596.28204	1.4
660.31409	1.7
678.32709	17.2
696.33777	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	696.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01875	2.6
55.05507	5.3
67.05515	4.7
69.03432	8.4
69.07069	21.5
69.89361	3.1
70.06596	1.6
70.61845	0.5
71.01337	0.8
71.04990	3.7
73.06567	1.5
74.06081	0.8
74.09708	1.0
74.57032	0.5
78.22589	0.6
79.05495	10.8
81.03416	5.9
81.07060	7.0
83.04983	54.6
85.02914	3.9
85.06544	1.6
91.05476	11.2
93.07047	10.8
95.04976	8.8
95.08600	3.9
97.02914	3.1
97.06537	45.7
99.04456	10.4
101.06026	2.7
103.05473	1.1
105.07032	36.4
107.04946	4.7
107.08590	10.3
109.02872	2.8
109.06525	10.1
110.82513	0.6
111.04443	1.1
111.08080	0.8
113.06015	1.4
115.03924	0.7
115.05443	1.3
117.07021	6.3
118.32807	0.7
119.04948	2.5
119.08572	7.6
121.06509	31.1
121.10149	2.4
123.04415	0.8
123.08070	1.3
125.05995	94.0
126.06312	0.8
127.03927	2.3
127.07591	0.9
128.06235	1.8
129.05449	0.6
129.07031	2.8
130.07790	3.2
131.08580	13.6
133.06494	7.5
133.10138	4.7
135.04419	2.6
135.08072	1.8
135.11682	2.4
137.05957	5.6
139.07541	2.0
141.06985	1.2
142.07814	0.9
143.07042	91.7
143.08517	4.6
144.09335	2.9
145.06494	8.0
145.10127	62.9
146.08138	1.0
146.10487	0.6
147.04378	0.7
147.08076	3.1
147.11693	4.6
149.06009	1.4
149.09610	1.6
151.07555	15.1
154.07811	2.2
155.08546	2.6
157.06621	0.7
157.10115	2.2
158.07254	6.3
159.08061	7.0
159.11696	25.5
161.06053	0.9
161.09627	2.0
161.13242	1.5
163.07561	1.9
163.11188	27.6
167.08603	0.8
169.10107	8.0
171.08075	1.6
171.11690	2.0
172.08856	3.3
173.09627	64.3
175.07436	0.8
177.12766	13.0
179.08575	1.9
182.07201	1.0
187.11191	51.9
189.12724	2.9
191.10683	24.4
197.09641	6.0
205.12248	69.8
206.12537	0.9
207.13792	0.6
209.11754	8.8
215.10681	55.7
216.11057	0.9
223.13303	3.0
233.11728	100.0
234.11984	1.7
251.12791	59.9
252.13141	1.3
265.27530	0.7
269.13846	19.7
359.14679	1.0
377.16077	3.1
395.17041	3.3
413.18073	24.9
530.07745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69870	0.7
53.03953	3.6
55.01875	5.4
55.05505	4.7
57.03435	2.0
60.80902	0.7
65.03934	1.9
67.05509	8.3
69.03430	10.5
69.06728	1.1
69.07072	17.0
70.06580	1.2
71.01381	1.1
71.04993	5.2
71.29671	0.7
71.55563	1.0
73.02915	1.3
73.06520	1.1
79.05073	1.1
79.05501	20.2
81.02963	1.3
81.03414	12.4
81.07063	17.9
83.04986	39.3
85.02906	8.7
85.06529	1.3
86.06081	0.8
87.04450	1.0
91.04961	1.5
91.05487	14.9
93.07052	23.2
95.01357	0.9
95.04974	17.3
95.08609	8.9
97.02894	8.5
97.06539	37.7
99.04461	11.0
100.07615	0.8
101.06053	0.9
103.05459	1.9
105.04564	0.9
105.07039	42.6
107.04966	14.4
107.08598	15.1
109.02883	7.2
109.06527	19.4
109.10147	1.4
111.04421	2.6
111.08084	3.0
113.06034	1.4
115.03915	1.1
115.05453	2.9
115.07571	0.8
117.07022	9.3
119.04955	9.6
119.08586	12.1
121.02880	1.4
121.06511	36.3
121.10146	2.9
123.04413	3.1
123.08070	3.2
125.02357	0.8
125.06002	54.3
127.03908	3.9
127.07571	1.9
128.06218	3.3
129.06981	6.7
130.07771	2.8
131.04965	1.5
131.08580	16.5
133.06497	12.0
133.10161	5.4
135.04424	9.3
135.08057	6.9
135.11681	6.8
137.05988	19.1
139.07527	10.1
141.05453	1.1
141.06998	4.5
142.07741	1.8
143.07025	31.6
143.08545	10.2
144.05634	0.9
144.09312	3.3
145.06496	13.7
145.10133	69.4
146.10484	0.8
147.04492	0.8
147.08078	7.9
147.11691	8.6
149.05969	4.4
149.09569	1.5
151.07516	7.2
153.06938	1.8
154.07788	3.7
155.07077	2.0
155.08536	4.9
156.09245	1.3
157.06499	1.8
157.08600	6.7
157.10106	5.8
158.07245	5.4
159.08063	11.1
159.11699	30.5
161.05948	3.2
161.09613	4.8
161.13232	1.7
163.07542	3.2
163.11189	44.5
165.06879	0.9
167.07100	1.3
167.08513	1.7
169.06468	1.1
169.08713	1.7
169.10127	11.7
171.08035	5.3
171.11642	4.4
172.08842	3.5
173.06010	1.7
173.09631	57.3
175.07512	3.4
175.11171	3.2
177.09102	1.6
177.12762	6.4
179.07143	1.5
179.08522	5.7
181.06482	1.5
181.10069	1.3
181.12245	7.8
182.07303	2.6
183.08052	2.1
183.11703	1.7
185.06108	1.1
185.09550	4.7
187.07553	3.5
187.11188	46.5
189.09085	3.4
189.12764	5.7
191.06975	1.3
191.10680	20.7
193.10233	1.3
195.08058	1.6
195.11731	1.9
196.08786	1.3
197.07875	0.8
197.09618	16.5
199.07526	1.5
199.11180	4.1
201.09158	2.8
201.12677	1.5
203.06880	1.4
203.10663	3.2
205.08687	1.5
205.12250	33.6
207.13815	2.9
209.08066	1.3
209.09834	1.4
209.11720	6.2
211.07831	0.9
211.11324	4.1
213.09116	2.9
213.12703	1.2
215.10693	58.9
216.11067	1.0
217.08591	2.3
217.12172	2.2
219.10121	1.6
221.11693	1.0
223.13242	4.5
225.09097	1.4
225.12669	1.8
227.10759	1.6
227.12784	4.5
229.12196	3.1
231.10153	2.2
233.11734	99.1
234.12093	1.0
235.09396	1.1
235.13358	1.9
239.10606	2.8
241.12161	0.8
243.10100	2.6
243.13820	1.1
245.11665	2.7
247.09641	2.3
249.11108	5.2
251.12801	100.0
252.13115	1.5
253.12161	1.9
257.11774	3.3
259.13248	1.2
261.11261	2.6
263.12866	8.0
265.10654	1.5
269.13861	38.2
271.13345	2.3
275.12875	6.1
279.12173	6.4
281.11392	1.1
281.14032	1.8
285.14908	1.0
287.12903	1.2
289.14362	2.3
291.12085	1.1
293.13852	3.1
294.82104	0.8
295.13232	2.0
299.12695	2.5
311.15112	1.6
313.14209	2.3
317.13757	5.5
323.12885	2.2
329.13892	2.1
331.15558	1.9
335.14835	3.3
341.13782	5.5
353.15955	1.5
359.14914	15.9
377.15961	30.2
395.11917	1.2
395.16998	21.8
413.18109	27.2
539.20551	0.9
644.01593	0.9
715.35474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
54.28448	0.9
55.01863	4.4
55.05514	6.2
57.03439	2.9
61.02930	1.5
65.03934	1.4
67.05503	8.5
69.03433	20.0
69.06726	2.0
69.07069	26.5
70.72024	1.9
71.04987	6.3
73.02916	1.6
73.06546	3.1
77.03947	1.0
79.05501	16.3
81.03423	16.7
81.07059	10.8
83.04987	62.4
85.02904	10.7
85.06535	1.8
91.05482	15.3
93.07050	15.3
95.04970	11.5
95.08604	5.6
97.02906	6.3
97.06537	52.4
99.04453	14.3
100.11260	6.7
101.06017	2.4
103.05425	1.3
105.07036	47.9
107.04948	9.2
107.08595	14.3
109.02895	6.0
109.06514	12.3
111.04408	2.9
113.05977	1.3
115.05462	1.8
115.07546	1.3
117.07010	9.7
119.04929	4.6
119.08572	9.5
121.06512	37.2
121.10098	3.0
123.04435	1.0
123.08041	1.9
125.05997	100.0
126.06232	1.2
127.03916	4.7
127.07600	1.5
127.89185	0.9
128.06212	2.0
129.05453	1.0
129.07001	4.2
130.07774	4.5
131.04903	1.9
131.08571	16.6
133.06465	9.0
133.10130	5.0
135.04404	3.3
135.08046	3.3
135.11674	3.4
137.05943	6.3
139.07542	2.4
141.06996	4.0
142.07751	1.8
142.87321	1.0
143.07043	91.3
143.08528	6.3
144.09309	3.8
145.05116	1.3
145.06496	10.5
145.10129	88.9
147.08009	2.6
147.11655	4.5
149.05977	2.2
149.09581	2.4
151.07574	13.1
152.06245	1.2
154.07794	4.1
155.08553	5.6
156.09341	2.2
157.08644	1.6
157.10110	3.5
158.07280	9.4
159.06752	1.6
159.08076	9.7
159.11700	36.6
159.13034	2.0
161.09636	2.8
161.13213	1.3
163.07500	2.6
163.11183	22.8
169.10149	11.8
171.08087	2.4
171.11671	3.2
172.08875	4.6
173.09633	71.4
175.07635	1.7
177.12730	12.6
179.08572	2.3
182.07343	2.3
182.15401	3.3
185.09743	1.2
187.11186	62.4
189.12740	6.0
191.10677	26.4
197.09628	10.7
199.05893	1.1
203.10559	1.4
205.12244	72.6
209.11722	11.3
209.16475	2.6
210.14848	3.1
215.10678	60.3
219.10141	1.4
223.13304	3.4
226.52138	1.0
233.11731	91.0
234.11986	1.6
251.12802	49.0
253.99629	1.0
269.13824	7.5
321.13184	1.2
341.13791	2.1
359.14841	3.4
377.15933	12.9
395.16995	12.5
413.18051	53.4
465.40594	1.3
575.23236	3.9
608.28906	1.4
679.51160	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	695.4491
Annotation	(1E,22Z)-1,22-Diferuloyloxydocosane
Peak:m/z	Relative Intensity
53.03935	0.5
55.03047	0.3
55.05515	1.3
57.03441	0.9
58.06591	0.3
59.06140	0.3
62.45425	0.3
63.47486	0.3
67.05509	3.8
69.07074	1.1
69.89693	0.3
71.04985	0.4
71.55866	0.6
79.05496	3.4
81.07053	3.1
82.07415	0.4
83.08640	0.6
91.05478	3.7
92.02052	0.3
92.05818	0.3
93.07040	3.0
95.04975	0.3
95.08615	3.2
96.08962	0.4
97.06538	0.6
97.10207	0.4
105.07017	2.1
107.08595	2.2
109.10178	1.4
110.10529	0.3
117.07027	1.0
118.07328	0.4
119.08607	1.7
121.10134	1.6
122.10518	0.5
123.08080	0.4
129.06941	0.4
130.86562	0.3
131.08553	1.6
131.18755	0.3
133.10158	1.3
135.08083	0.5
135.11658	0.4
137.09663	0.4
141.54382	0.3
143.08618	0.3
145.10168	0.8
147.11728	0.7
157.10164	0.7
161.13297	0.3
171.11694	0.5
173.09659	0.7
179.31059	0.3
254.58694	0.4
272.75812	0.4
315.19342	2.3
335.25961	1.1
336.26279	1.1
347.21906	2.4
371.22101	1.0
397.97003	0.4
403.24634	1.8
418.59650	0.3
450.49820	0.3
458.74258	0.3
459.79095	0.3
467.27533	0.4
624.43359	0.5
642.44574	1.6
660.49286	0.4
695.44965	100.0
696.45215	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	695.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
54.11199	1.8
55.05515	65.2
56.38078	1.6
56.82213	1.6
64.55561	1.8
67.05514	2.6
69.25008	18.2
79.05501	4.4
81.07057	2.2
83.04987	100.0
91.05486	11.9
93.07044	5.4
95.04970	3.9
103.05474	15.3
105.03416	7.3
105.07020	14.8
107.08601	4.5
109.06519	2.0
111.04445	7.5
115.05448	5.7
117.07043	17.0
119.04948	2.0
119.08587	14.5
121.10159	2.7
125.02374	3.3
125.05999	2.2
128.06230	4.9
128.91971	1.7
129.07016	6.1
131.04933	26.5
131.08559	9.9
132.05316	2.0
133.06468	4.3
133.10121	11.3
135.08035	4.0
137.05977	3.8
142.07803	4.1
143.08607	10.7
145.06497	10.0
145.10126	9.1
147.08055	8.2
147.11629	2.7
149.09593	4.9
155.08528	6.0
156.09407	9.4
156.41180	1.7
157.06506	3.4
157.10152	16.7
159.08046	7.7
159.11699	4.9
160.05168	2.0
161.05978	13.5
161.09636	8.3
162.06764	3.6
163.07545	4.3
169.10146	11.5
170.10863	6.1
171.08073	8.8
171.11696	31.5
172.08810	3.4
172.12166	2.2
173.05974	5.8
173.09610	9.0
174.06830	2.4
175.07582	11.4
175.11150	2.9
176.08333	2.1
177.09109	24.4
178.79813	1.8
179.10657	1.9
181.10109	4.0
183.08131	4.7
183.11717	21.4
184.08835	3.2
185.09630	7.2
185.13268	15.3
187.07565	2.5
187.11211	5.4
189.09093	6.3
191.10718	8.9
193.08583	5.2
193.10141	3.3
195.07990	2.2
195.11679	4.5
197.09752	3.6
197.13281	5.0
198.10413	2.5
199.11162	11.2
200.11882	4.1
201.09164	4.4
201.12691	3.0
203.06958	4.4
203.10652	5.8
205.08568	9.8
205.12016	2.5
206.10947	2.3
207.11690	5.4
209.09541	2.3
209.13235	2.6
211.11169	5.0
212.08170	1.9
213.09204	3.1
213.12737	15.3
215.10680	4.6
215.14485	2.0
217.08629	4.2
217.12268	4.2
220.12440	2.6
221.13269	4.9
223.11145	2.0
229.12282	4.7
230.10776	3.0
231.13776	12.8
233.13358	4.7
235.11194	3.8
235.14928	2.1
237.12701	3.5
241.12294	6.5
243.11731	3.7
243.13860	3.2
244.12518	2.3
245.15457	2.4
246.68504	2.1
247.11046	2.3
249.16454	2.2
255.11496	2.4
255.13962	2.1
257.13321	2.3
259.13110	13.9
261.12622	2.8
261.16495	1.8
263.14505	2.2
265.12274	3.0
271.14847	4.1
272.11737	2.0
273.15079	1.7
273.16406	1.5
275.12790	4.4
285.12830	2.9
285.16229	2.7
286.13510	2.5
287.13852	2.3
299.14474	2.5
299.17874	3.6
301.15878	3.0
302.86053	2.1
303.13712	2.7
303.17249	2.3
305.15207	2.2
313.15866	2.6
314.16519	3.1
315.17368	4.0
317.15253	2.2
319.16699	2.6
327.13693	3.0
327.17477	2.6
328.64804	1.9
331.16760	4.4
333.18417	3.9
335.20084	2.2
339.17453	2.0
342.16180	2.6
343.16830	5.5
345.18594	6.2
347.20007	3.0
357.18494	5.6
359.16254	2.8
361.17960	4.3
373.18030	2.5
374.18295	2.4
375.19662	5.5
378.17868	1.9
385.17929	4.5
389.21228	2.5
397.20364	2.1
403.18991	8.6
405.20682	8.0
407.22186	4.0
417.20578	14.7
421.20221	4.9
435.21729	20.6
438.26025	1.9
452.21457	4.0
453.23077	2.1
460.19095	1.9
477.22885	2.9
495.23807	18.7
535.26434	4.4
577.27612	5.2
587.32941	2.3
595.29028	25.6
677.33643	18.1
695.34296	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	695.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.1
53.03937	2.9
53.40734	1.4
55.01873	2.2
55.05512	62.8
61.20443	1.6
67.05499	3.9
69.07083	1.5
69.26258	3.4
69.26678	11.1
70.27708	1.5
79.05487	6.7
81.07062	2.8
83.04982	100.0
91.05486	15.9
91.35417	1.7
92.88026	1.4
93.07027	6.4
95.04971	5.2
95.08606	4.1
96.02254	1.6
98.20757	2.5
103.05473	7.4
105.07031	16.5
107.04927	3.6
107.08604	3.6
109.06523	3.1
115.05476	7.4
117.07017	11.1
119.08590	12.0
121.06467	2.0
121.10188	1.5
128.06200	2.7
129.07025	4.6
131.04935	11.1
131.08557	9.8
133.06468	9.0
133.10149	11.0
135.08064	5.2
141.07043	1.8
142.07761	4.4
143.08577	8.6
145.06473	16.8
145.10139	8.6
147.08073	8.3
149.09634	5.8
153.06995	3.3
154.07753	1.8
155.08556	6.1
156.09354	9.5
157.10118	16.3
159.08070	9.3
159.11710	4.2
161.05984	14.1
161.09616	9.1
163.07596	10.5
163.11229	1.6
165.07007	2.2
167.08606	3.4
168.09325	2.1
169.06360	1.9
169.10165	11.5
170.10921	6.0
171.08076	4.4
171.11690	30.4
173.05977	8.5
173.09641	10.3
173.13251	2.3
175.07587	4.6
175.11130	3.2
176.30981	1.7
177.09076	4.2
179.07071	2.7
179.08583	2.0
181.10127	4.6
182.10843	3.4
183.08051	3.1
183.11714	28.9
184.08888	1.7
185.09631	6.5
185.13235	25.3
187.11198	4.7
189.05569	1.7
189.09120	4.2
191.07010	3.3
191.08592	1.7
193.10161	4.7
195.08020	2.4
195.11714	6.8
197.09656	5.4
197.13280	7.1
198.10339	2.9
199.07600	1.8
199.11150	12.6
201.09067	3.8
201.12791	5.1
206.10805	3.6
207.11694	4.2
209.09665	4.3
209.13287	2.6
211.11188	5.6
213.12704	21.7
215.08545	2.0
215.10548	3.2
216.09552	1.7
217.12198	3.3
219.11655	2.0
221.09770	2.8
221.13345	3.3
223.11134	4.2
225.12700	3.1
227.10580	2.7
229.10204	2.9
229.12274	3.3
231.11781	3.1
231.13762	3.7
233.13240	2.0
234.13963	2.5
237.12807	1.7
241.12280	4.8
243.11690	4.1
243.13824	5.9
244.12471	3.0
245.13416	2.6
245.15422	13.1
247.14943	3.6
255.13930	6.0
256.12515	2.0
257.13281	2.6
258.14041	2.9
267.11572	2.0
268.12341	2.2
269.13394	2.3
270.13931	1.7
271.14841	3.2
273.14749	11.3
274.13519	1.9
275.14301	2.6
277.15753	2.1
281.13138	1.9
282.14001	3.3
285.12738	3.3
285.16373	2.4
286.13235	2.3
287.14331	3.2
287.17618	2.1
289.15698	2.0
297.16135	2.3
299.14233	2.2
301.12387	2.9
301.15826	2.4
303.17572	2.6
305.11768	1.9
311.17953	2.5
313.15881	4.5
315.17505	6.6
325.15768	3.9
327.13602	2.3
327.17383	3.1
329.18976	3.8
331.16891	5.9
333.18182	1.8
339.17303	2.3
343.16910	9.7
345.14816	2.3
345.18640	3.0
357.18384	14.5
361.17923	4.9
367.16675	2.2
373.18039	4.3
375.19421	5.5
385.17960	13.1
387.19556	2.4
389.21191	4.4
399.19559	2.9
403.19153	12.6
405.20596	4.4
417.20657	20.1
434.19983	2.6
435.21613	18.0
451.21298	3.1
453.22833	4.0
463.20901	2.9
477.22693	3.5
495.24091	3.7
517.25476	2.3
595.29669	1.9
637.59045	1.7
651.04987	1.6
677.33215	2.7
695.31116	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	695.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01859	2.5
55.05518	55.7
67.05500	2.3
69.03426	2.4
69.07061	2.7
75.21940	1.0
79.05496	6.0
81.07043	3.2
83.04988	100.0
91.05486	14.1
93.07040	4.4
94.12576	1.1
95.04974	4.1
95.08595	1.9
98.21503	3.3
103.05453	9.9
105.03386	2.1
105.07037	18.3
107.04936	1.9
107.08578	4.7
109.06505	2.9
115.05429	5.4
116.06223	1.7
117.07016	10.9
119.08600	15.1
119.13226	1.0
121.06544	2.1
121.10139	3.1
123.07976	1.2
128.06221	4.1
129.07016	6.8
130.07758	2.1
131.04929	14.1
131.08577	8.5
132.05255	3.0
133.06516	6.0
133.10168	12.0
135.08054	5.5
136.67143	1.0
137.05934	2.0
141.07031	3.1
142.07759	5.7
143.08566	12.3
145.06523	11.3
145.10152	8.4
147.08043	8.7
147.11732	1.4
149.06017	1.4
149.09613	4.2
151.07423	1.2
153.07014	3.1
154.07855	1.4
155.08556	5.8
156.09386	8.4
157.06511	1.6
157.10138	17.0
159.08063	6.5
159.11694	5.0
161.06001	11.2
161.09630	8.7
163.07542	8.9
163.11165	3.7
165.07027	2.5
167.08505	3.2
168.09335	2.5
169.10127	11.1
170.10973	5.9
171.08147	5.3
171.11713	29.9
172.12192	1.6
173.06068	5.8
173.09624	9.9
173.13316	1.9
175.07559	4.3
175.11194	2.6
177.09099	7.5
179.08528	2.3
180.09319	3.3
181.10126	4.0
182.10886	1.7
183.08049	4.4
183.11713	32.1
184.08873	1.2
184.12343	1.8
184.34438	1.1
185.09668	7.2
185.13278	24.8
187.07520	1.6
187.11159	3.1
189.05502	3.8
189.09103	4.8
189.12607	1.4
191.07039	2.9
191.10658	1.6
193.10164	4.0
195.08055	1.9
195.11694	7.5
196.12482	1.4
197.09575	4.1
197.13326	6.2
198.10452	2.6
199.11217	13.6
200.11850	1.9
201.09094	2.8
201.12694	3.6
203.10582	1.8
203.14415	1.3
205.08508	1.3
205.10318	1.4
205.12247	3.0
206.10851	1.7
207.11710	5.2
208.08792	1.3
209.09602	4.5
209.13191	1.6
211.11185	7.9
213.09161	3.5
213.12747	23.1
215.08627	1.8
215.10664	3.7
217.08510	1.4
217.10335	1.5
217.12193	1.7
218.10895	1.1
219.11775	2.9
220.12488	3.4
221.13257	5.7
222.13948	2.0
223.11241	3.7
223.14767	1.4
225.09126	2.8
225.12901	1.8
227.10686	2.2
229.10289	1.9
229.12373	2.9
231.09929	1.7
231.11888	2.0
231.13849	2.7
232.12401	1.5
233.13257	4.6
233.15314	1.4
234.13992	1.4
235.11273	1.4
235.14966	1.6
237.12767	1.6
241.12230	4.7
243.11662	3.0
243.13744	5.5
244.12421	2.7
245.13260	3.8
245.15427	18.2
246.10161	1.3
246.13924	2.1
247.11160	1.5
247.14893	3.4
249.12755	2.4
255.11737	2.0
255.13846	7.0
256.12402	1.4
257.13324	1.7
257.15552	2.0
258.14078	2.6
259.11002	1.5
259.15118	2.6
260.11957	1.4
260.15573	2.7
261.12772	1.7
265.12427	1.6
265.15790	1.4
267.11679	2.4
268.12598	1.9
269.13229	1.7
270.14035	3.7
271.15036	1.7
272.11996	1.8
272.15338	1.3
273.14746	10.9
277.12170	2.0
281.13226	1.3
282.13956	1.7
283.14676	1.6
284.15610	1.7
285.12689	4.9
285.16168	2.9
286.13406	2.4
287.14240	2.2
287.17776	1.3
289.11960	1.4
295.16922	1.6
296.12070	1.2
296.15521	1.8
297.12839	1.7
297.16223	2.3
299.14386	4.2
300.15045	2.4
301.12207	1.5
301.15662	1.7
303.13693	1.7
313.12234	1.5
313.15805	2.7
315.14111	1.6
315.17520	6.3
317.15268	2.0
319.16885	2.1
324.15094	1.7
325.15961	3.2
327.13739	1.7
328.14407	1.9
329.15393	2.7
329.18951	3.1
331.16928	11.3
332.16153	1.5
333.18277	4.9
339.17340	3.9
343.13217	2.0
343.16937	13.2
345.14761	1.6
345.18475	4.3
347.20084	2.0
357.18506	13.5
359.16422	2.2
361.17923	6.3
367.17172	2.2
373.17966	5.4
374.18582	1.4
375.19632	9.9
385.17972	14.6
389.21170	3.4
391.18665	1.8
399.19797	2.6
403.19046	15.6
405.20761	8.6
407.22217	3.7
417.20682	22.2
421.19977	1.3
423.21957	1.8
435.21655	18.9
453.22839	1.9
455.47058	1.3
463.21030	4.1
477.22424	4.6
495.23636	4.8
517.25903	1.3
577.27771	2.6
581.27057	1.7
595.28857	2.3
677.33075	2.3
695.29584	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.01860	1.8
55.05515	71.0
63.38848	1.0
67.05520	1.3
69.03440	2.4
69.07073	2.3
79.05496	5.0
81.03409	2.2
81.07043	2.8
83.04986	100.0
84.05338	2.4
91.05496	13.5
93.07039	6.3
95.04971	5.4
98.38705	1.3
103.05480	9.4
105.03425	7.7
105.07038	18.6
107.04978	1.5
107.08604	5.7
109.06548	2.1
111.04452	3.4
115.05432	6.5
117.07027	18.0
118.08838	1.2
119.04975	1.3
119.08587	15.6
121.06571	2.9
121.10156	2.9
123.08057	1.5
125.02439	1.7
125.06007	1.7
126.46498	1.4
128.06216	4.7
129.07013	5.6
130.07820	1.5
131.04926	15.3
131.08606	9.8
132.35429	1.3
133.06528	7.9
133.10141	10.9
135.08032	3.5
137.06007	1.5
141.07019	3.7
142.07800	5.6
143.05055	1.3
143.08580	12.1
145.06485	15.0
145.10112	8.7
147.08066	7.3
149.09624	4.6
151.07549	2.1
153.06958	2.2
154.07732	1.5
155.08527	7.1
156.09338	9.1
157.06519	2.6
157.10124	18.5
158.07329	1.7
159.08080	7.9
159.11697	4.4
160.05174	1.8
160.08809	1.6
161.06007	14.8
161.09618	8.3
162.06696	1.8
163.07538	6.3
163.11237	2.7
165.07002	1.6
166.07806	1.4
167.08578	2.2
168.09335	2.1
169.10123	9.5
170.10966	8.2
171.08049	5.1
171.11691	30.2
172.08769	2.8
173.06032	6.4
173.09604	10.4
173.13280	2.4
175.07549	9.5
175.11171	3.2
176.08241	2.3
177.09119	18.0
179.08525	2.1
180.09334	2.1
181.10158	4.6
182.07375	1.6
183.08107	3.6
183.11700	27.5
183.78313	1.3
184.08937	1.7
185.09659	7.9
185.13290	20.1
187.07541	3.3
187.11180	4.2
189.05513	2.0
189.09135	10.2
191.07094	4.4
191.09024	1.3
191.10602	6.1
193.08611	3.0
193.10191	3.4
195.11697	7.4
197.09628	5.3
197.13309	5.5
198.10455	2.1
199.07582	2.6
199.11179	9.7
200.11966	1.8
201.09164	3.2
201.12778	3.8
203.06978	3.4
203.10666	4.2
205.08598	6.0
205.12253	2.3
207.11723	6.4
208.12454	1.7
209.09581	2.7
209.13248	1.8
210.10526	1.9
211.07616	2.5
211.11189	6.7
213.09128	3.5
213.12761	20.6
215.10704	4.4
217.08492	3.2
217.12187	2.3
219.11736	3.6
220.12451	1.7
221.13293	4.1
223.11168	3.9
223.14766	1.8
227.10640	3.2
229.10333	1.6
229.12300	3.9
230.10886	2.1
231.09891	1.8
231.11880	2.3
231.13751	8.3
232.12558	2.4
233.13268	3.9
235.11215	1.9
237.12738	2.5
239.10703	2.4
241.12238	3.5
243.13858	4.4
244.12451	2.9
245.13228	3.3
245.15320	8.6
247.15088	2.8
249.12807	2.4
249.16394	1.5
255.13791	4.6
256.12512	2.2
257.13492	2.7
259.13040	9.7
260.15656	1.5
261.12775	2.6
263.14362	2.2
265.12152	2.1
269.13275	2.1
270.13998	2.3
271.11093	1.9
271.14731	4.9
272.15778	1.6
273.12302	1.5
273.14706	6.2
275.12949	4.2
281.12985	1.6
283.11310	1.6
283.14713	2.8
285.12802	1.9
285.16367	2.0
286.13538	2.8
286.17175	1.6
287.14383	2.8
287.17917	2.2
289.15903	1.8
296.15646	1.3
299.14291	2.7
299.17548	1.5
301.15906	2.9
302.13278	1.7
303.13773	2.6
310.13327	1.9
313.15799	3.7
315.14102	1.4
315.17444	5.4
317.15518	2.3
317.18954	2.3
325.15710	1.5
327.13812	2.5
327.17310	2.3
329.15332	2.1
329.19012	2.2
331.16867	5.7
333.18451	3.4
339.17377	3.2
342.16141	2.1
343.16946	5.8
345.18536	3.4
347.20200	2.0
357.14783	1.8
357.18460	9.6
359.16486	1.9
361.17944	6.7
367.17618	1.7
373.17935	3.2
375.19717	6.8
377.17767	1.7
385.18079	7.6
387.19620	2.6
389.21155	2.8
391.18832	1.6
399.19525	4.3
403.19043	11.6
405.20575	5.9
407.22211	3.8
417.20639	16.8
421.19916	3.5
435.21674	18.1
453.22537	2.2
477.22833	5.1
495.23804	13.3
535.26776	2.3
546.74005	1.6
577.27899	3.3
595.29059	10.8
677.33362	12.5
695.34344	24.8
696.34149	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.6
55.01878	16.9
55.05517	64.5
57.99033	1.3
59.88892	1.2
61.53324	1.4
65.03925	1.9
67.05496	5.5
69.03429	3.6
79.05502	11.6
81.03423	13.7
81.07059	6.3
83.04990	100.0
84.05359	1.7
88.81918	1.2
91.05490	35.2
93.07055	11.0
95.04978	15.9
95.08604	5.0
96.74683	1.2
101.06013	3.2
103.05508	2.7
105.07045	23.2
107.04954	6.2
107.08606	9.8
109.06525	7.5
115.03951	2.9
115.05461	18.9
116.06232	4.5
117.07027	32.6
119.04996	2.4
119.08596	54.1
121.06527	6.4
121.10171	2.3
123.08051	1.5
123.13623	1.2
128.06213	9.2
129.07025	26.9
130.07780	5.8
131.04881	2.5
131.08588	22.5
132.05707	4.0
133.06473	4.9
133.10141	11.2
135.08070	7.6
141.07001	4.0
142.07785	8.9
143.08569	22.9
144.05727	3.0
144.09375	3.0
145.06503	33.2
145.10133	21.8
147.08063	98.3
149.09627	10.5
153.07043	2.5
154.07782	1.9
155.08563	14.1
156.09386	9.5
157.06535	2.1
157.10138	31.0
158.07278	5.3
159.08080	39.2
159.11700	39.1
161.05957	3.0
161.09636	30.0
163.07561	89.9
163.11148	2.5
165.06996	3.5
165.09145	1.3
166.07756	4.1
167.08597	4.4
168.09349	5.8
169.06479	1.6
169.10139	32.8
169.30476	1.4
170.10957	8.8
171.08026	8.1
171.11690	23.4
172.08871	4.2
173.06003	5.7
173.09636	43.0
173.13185	6.8
174.10214	1.4
175.07568	11.7
175.11237	3.2
177.09120	2.7
179.08636	3.8
180.09364	4.0
181.06581	1.3
181.08678	1.6
181.10068	6.2
182.07500	1.3
183.08076	4.4
183.11707	60.6
184.12309	1.3
185.09659	15.0
185.13275	46.9
186.10368	3.3
187.07561	4.2
187.11197	19.6
189.09166	4.2
191.10707	2.3
192.09364	2.5
193.10127	9.3
195.08101	2.4
195.11681	8.9
196.08868	2.6
197.09642	19.4
197.13274	3.6
197.22890	1.5
198.10410	1.3
199.11203	13.2
201.09129	20.0
201.12762	25.3
202.07875	1.6
203.08655	2.7
203.10617	2.3
205.10323	2.5
205.12265	2.3
206.10963	2.5
207.11678	10.3
208.08911	2.0
208.12445	1.9
209.09645	6.7
209.13278	2.6
211.11195	15.1
213.09207	3.0
213.12778	13.5
215.08810	1.9
215.10722	6.2
216.09332	2.1
217.10223	3.2
217.12250	4.6
219.11757	3.4
220.12492	3.2
221.09630	2.4
221.13260	7.9
223.11229	9.0
224.84363	1.5
225.09143	2.0
225.12704	4.1
227.10664	5.9
229.10213	2.5
229.12241	31.2
230.10905	2.4
231.11691	4.1
231.13730	2.0
232.12462	2.1
233.09599	2.7
233.11528	1.7
233.13406	1.9
233.15176	6.8
234.10310	1.4
235.11189	3.5
235.14851	3.3
236.11906	1.4
237.12770	7.9
239.10741	3.9
239.14386	3.3
241.10085	2.1
241.12228	3.5
242.10899	2.3
243.11638	3.9
243.13838	14.4
244.12448	2.7
245.13387	2.9
245.15424	4.9
246.10399	1.9
246.14191	3.5
247.11147	2.2
247.14854	3.9
248.11855	2.1
249.12776	6.9
251.10756	2.0
251.14290	2.4
253.12190	2.6
255.11594	1.9
255.13867	4.6
256.12372	3.2
257.11700	4.8
257.13702	1.9
258.14114	2.9
259.11102	3.1
259.13290	17.2
260.11877	2.6
261.12558	3.0
261.14764	14.1
263.10858	1.3
263.14212	3.4
265.12308	2.0
269.13287	2.5
270.10559	2.0
270.14008	3.2
271.10861	2.5
271.13129	3.1
271.15341	2.6
272.12143	1.8
272.15588	4.6
273.12704	5.2
274.13684	2.2
275.14279	6.0
277.12109	2.1
279.13956	2.0
281.13217	3.5
282.14166	3.2
284.11917	2.2
285.12689	7.7
285.15903	2.1
286.13385	4.3
287.14243	5.2
287.17880	3.7
289.14481	5.3
291.17447	1.4
295.10950	1.5
297.16260	2.0
298.13593	1.6
299.14365	8.5
300.15100	7.1
301.15817	5.6
301.19034	1.7
303.13654	3.7
303.17416	1.8
305.18924	1.7
310.13562	1.7
313.12451	2.4
313.15881	5.9
314.16626	4.4
315.13867	2.0
315.17432	28.8
316.18161	2.1
317.15442	3.1
318.16010	1.5
323.16559	1.7
324.15143	2.6
325.15985	4.2
327.13770	4.1
328.14542	2.7
329.15527	1.4
329.19064	18.3
331.16937	2.9
333.18417	8.3
339.17398	3.8
341.15475	1.7
342.16101	2.8
343.17099	7.3
347.20081	5.0
357.18533	23.9
357.36807	1.4
361.18002	4.1
373.17676	2.4
375.19669	14.4
377.17453	1.5
385.17923	8.6
389.21173	32.9
399.19617	4.2
403.19058	9.6
407.22308	13.3
417.20630	29.1
429.90033	1.5
435.21719	30.2
483.05524	1.3
503.24265	2.2
517.25714	4.8
535.27142	6.2
635.24396	4.7
663.24139	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	695.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
53.03941	6.0
55.01877	3.8
55.05517	62.6
67.05510	5.2
69.07068	2.5
78.25871	1.4
79.05502	5.7
81.03426	3.3
81.07059	4.7
83.01352	2.0
83.04990	100.0
83.08601	1.6
91.05489	17.9
93.07062	7.0
95.04963	6.9
95.08607	2.7
98.20695	2.3
103.05482	9.1
105.03406	13.1
105.04517	1.8
105.07044	20.3
106.03741	2.2
107.04969	3.1
107.08612	4.0
109.06551	2.6
115.05470	9.3
117.07029	14.1
119.08588	14.5
121.06506	2.5
121.10178	2.3
123.08073	1.4
128.06227	5.5
129.07018	6.3
130.07845	1.5
130.31960	1.6
131.04953	11.6
131.08598	11.2
133.06490	6.2
133.10136	11.8
135.08043	5.3
141.06972	4.3
142.07811	5.5
143.08565	9.9
145.06487	14.2
145.10165	10.8
147.08066	10.3
149.05914	1.4
149.09634	3.4
149.91916	1.3
153.07011	2.0
154.07750	2.6
155.08562	8.5
156.09372	9.5
157.10141	17.9
159.08035	7.2
159.11697	5.1
161.05963	12.3
161.09615	8.6
163.07562	10.0
163.11182	2.7
165.06940	3.3
165.09190	1.4
167.08560	2.4
168.09346	3.0
169.10123	13.0
170.10951	8.6
171.08063	6.4
171.11699	33.8
172.08801	2.9
173.06009	8.5
173.09673	11.0
173.13249	4.8
175.07579	3.8
175.11127	1.8
177.09109	3.7
179.08586	1.6
180.09309	2.1
181.10098	6.6
182.10921	1.8
183.08144	2.7
183.11703	35.8
184.12083	1.6
185.09697	7.4
185.13278	30.9
186.13626	2.6
187.07497	2.6
187.11174	5.6
189.05443	3.3
189.09180	7.0
191.07025	3.6
191.08649	2.6
191.10640	2.1
193.10155	3.7
195.11737	9.5
197.09656	6.3
197.13234	6.7
198.10349	2.4
199.11176	13.3
201.09142	3.1
201.12735	3.1
203.10651	2.2
206.10893	1.8
207.11708	4.9
211.11208	7.6
213.09169	1.6
213.12762	26.7
214.13254	1.8
215.10692	3.4
215.14388	1.8
217.12183	2.0
220.12447	1.9
221.13199	6.2
223.11218	5.7
223.14862	1.6
225.09190	1.8
227.10663	3.1
229.10240	2.6
229.12279	3.5
230.10855	2.2
231.11751	2.9
231.13773	2.9
233.13290	2.8
234.10410	2.0
235.11176	2.8
235.14850	3.3
237.09106	1.9
237.12730	2.0
237.16368	1.8
241.12271	5.6
243.11630	3.8
243.13911	5.1
244.12566	2.3
245.13232	3.9
245.15411	13.9
247.10994	1.8
247.14870	2.3
255.13838	5.4
256.12292	2.1
257.13342	3.3
258.14145	3.2
259.11011	2.3
259.13171	2.7
259.15192	2.4
260.15695	2.5
261.12619	2.0
269.13269	3.2
271.11084	2.3
271.14893	1.9
272.15677	3.1
273.12405	1.8
273.14841	10.1
282.13980	2.2
285.12607	2.9
286.13669	3.0
286.16953	1.4
287.10764	1.9
287.14291	3.3
287.17596	2.3
291.17361	1.4
297.16287	2.0
299.14249	2.8
300.15082	2.8
301.15894	3.1
303.13715	2.5
313.15720	3.7
314.16660	2.5
315.14050	1.6
315.17447	6.7
327.13721	2.0
327.17270	2.3
331.13492	1.7
331.16876	8.1
333.18301	3.3
334.19089	1.4
339.17441	5.4
341.15442	1.7
343.16916	10.4
345.14618	2.6
345.18484	2.0
347.20016	1.8
357.18481	11.9
361.17911	5.8
367.16211	1.5
373.18073	5.4
374.18332	2.0
375.19614	7.5
377.17279	2.1
385.18048	11.3
387.19638	1.9
399.19592	1.8
402.18546	1.9
403.19122	14.5
405.20398	5.1
407.21942	2.4
417.20679	19.8
421.19913	2.7
435.21619	19.0
453.22614	5.3
463.21036	3.0
469.22186	1.7
477.22528	4.3
478.25916	1.8
495.23654	5.6
517.25873	1.6
554.26276	1.5
595.28833	1.8
600.23199	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01889	0.5
55.05510	7.3
57.03432	0.9
67.05495	1.8
69.03432	1.0
69.07057	0.8
69.18811	2.7
69.19237	1.5
79.05492	2.6
81.03397	3.0
81.07064	1.4
83.04984	8.5
83.08597	0.5
90.34213	0.4
91.05486	3.9
93.07059	3.2
95.04976	1.3
95.08574	0.6
97.06541	0.4
98.20718	0.8
103.05469	2.4
105.03398	1.3
105.07038	2.9
107.04972	0.7
107.08616	1.7
109.06537	0.8
115.05473	0.5
117.07027	2.3
117.07748	0.4
119.04903	0.5
119.08585	4.4
121.06546	0.8
121.10146	0.9
123.08056	0.5
128.06256	0.9
129.07014	1.5
131.04912	3.8
131.08566	2.2
132.65942	0.4
133.06509	1.4
133.10144	1.6
135.08067	0.8
135.11749	1.1
136.11996	0.4
137.09555	0.4
141.06931	0.6
142.07773	0.8
143.08585	2.3
145.06522	1.5
145.10112	2.0
147.08102	0.9
147.11633	0.4
149.09601	1.0
154.07787	0.6
155.08569	1.0
156.09338	1.0
157.10176	3.4
157.59160	0.4
159.08087	1.7
159.11703	0.9
161.06009	0.7
161.09673	0.9
163.07541	0.9
163.11238	0.8
165.06963	0.5
167.08553	0.7
169.10191	2.1
170.10909	1.3
171.08002	1.9
171.11699	4.1
173.09674	1.8
173.13206	0.5
175.07523	0.7
177.09160	0.6
179.08525	0.5
180.09256	0.4
181.10139	1.2
183.08145	0.6
183.11702	4.7
184.12112	0.4
185.09650	1.3
185.13268	2.7
187.11180	1.0
189.09120	0.4
193.10164	0.7
193.12115	0.8
195.11731	1.7
196.08644	0.5
197.09616	0.8
197.13268	0.7
198.10471	1.0
199.11179	2.6
201.09113	0.8
201.12769	0.6
203.06955	0.5
207.11713	0.9
208.12318	0.6
209.09668	0.5
209.13174	0.7
211.11176	1.1
213.09196	0.6
213.12756	7.9
214.13458	0.4
219.11754	0.6
221.09669	0.6
221.13243	1.1
223.11189	1.0
223.14647	0.5
225.09024	0.5
227.10686	0.5
230.11012	0.5
231.10133	0.6
232.12392	0.6
233.13304	0.5
235.11227	0.5
239.10695	0.5
241.08427	0.7
245.15446	0.7
247.14893	0.8
255.15883	2.0
256.16293	1.2
257.13348	0.7
261.12729	0.5
267.16016	0.9
268.16342	0.6
271.14954	0.6
273.14932	1.9
279.13925	0.5
283.14917	0.5
295.13324	0.5
299.14249	0.6
327.17490	0.6
331.16989	0.7
343.16925	0.9
373.14069	0.6
375.19489	0.8
387.15909	0.7
403.19000	0.8
417.19998	0.8
435.21936	0.6
445.20117	1.3
447.27551	2.1
448.27921	3.1
457.20093	1.6
467.20261	0.6
475.20898	10.6
498.32141	0.5
535.23065	3.0
557.25226	1.2
567.31598	0.8
575.26306	1.9
585.85608	0.5
595.24878	1.0
599.26221	0.7
617.27136	1.8
635.28070	6.5
677.29517	1.3
695.30310	100.0
696.30731	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25843	1.0
53.03930	1.7
54.88673	0.9
55.05508	2.3
65.00617	0.9
67.05492	2.8
76.12490	1.0
78.91798	0.9
79.05497	3.4
80.26605	0.9
81.07056	2.7
83.04984	3.6
85.02883	1.3
90.73396	1.2
91.05473	4.9
93.07032	1.8
95.04955	3.5
95.08598	3.1
97.82853	1.1
98.21542	2.4
98.79870	1.1
103.05472	23.4
104.05802	3.7
105.03375	3.2
105.07021	4.8
107.08566	2.0
109.06523	1.0
114.36205	1.0
116.64629	1.2
117.07021	2.2
119.08548	4.5
121.10135	2.1
123.07985	1.2
131.04927	45.8
131.08562	2.7
132.05243	8.3
133.06516	1.6
133.10114	4.5
142.07732	1.4
143.08540	2.1
145.10109	2.4
147.08058	2.6
149.09647	1.4
155.08615	1.0
157.10127	3.1
159.08000	2.9
159.11691	2.3
160.08374	1.2
161.05984	4.6
161.09619	2.0
163.05974	1.4
169.10085	3.0
170.10481	1.5
171.11652	4.3
172.12132	1.4
173.09628	3.2
183.11656	3.4
185.09598	2.3
185.13222	2.6
186.13594	1.5
199.11224	1.9
201.12613	1.1
206.10793	1.2
211.11151	1.5
213.12779	4.0
214.13022	1.6
215.14069	1.2
219.11691	1.1
221.13264	2.2
229.12126	1.4
231.11685	1.2
238.13087	1.5
247.14799	1.2
262.22430	1.6
312.45291	1.1
320.28601	1.0
332.17212	1.2
378.21231	1.6
388.19815	1.4
389.20850	1.3
392.19305	1.3
405.20288	1.3
406.21115	1.6
452.21408	1.4
635.26129	100.0
636.26520	2.1
695.27893	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	695.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	2.3
53.03951	8.5
55.01873	5.7
55.05515	3.2
65.03952	1.0
67.05510	4.4
69.03429	3.3
69.28389	8.1
77.03924	2.2
79.05505	9.4
81.03436	6.0
81.07082	1.8
81.55649	0.9
83.04996	6.5
91.05499	10.7
93.07047	4.4
95.01342	1.8
95.04978	22.3
95.08611	2.3
97.02929	1.5
97.06520	1.2
103.05481	5.2
105.03407	100.0
105.04553	3.7
105.07039	21.0
105.07693	1.9
106.03722	1.6
107.04960	4.0
107.08612	2.1
109.06525	4.0
111.04462	0.9
115.05453	5.7
117.07039	8.2
119.04939	2.6
119.08596	4.5
121.02876	2.6
121.06509	4.0
123.04453	1.7
123.08064	1.1
125.06010	3.5
128.06248	4.5
129.07013	6.7
131.04951	5.2
131.08588	7.8
132.05307	1.1
133.06508	18.9
133.10152	1.4
135.04427	1.9
135.08078	4.8
137.06001	3.0
141.07007	4.7
142.07796	4.3
143.08557	5.7
145.06531	8.2
145.10149	4.1
147.08069	3.5
149.06003	2.4
151.07529	2.4
152.06174	1.1
153.07069	2.7
154.07785	4.4
155.08563	4.7
156.09311	3.9
157.06523	3.3
157.10112	6.3
158.07304	2.2
159.04515	1.2
159.08054	8.7
159.11713	3.7
161.06003	41.4
161.09666	2.4
163.07587	10.3
165.05667	1.3
165.07054	3.9
166.07803	2.3
167.08630	5.0
169.06497	3.0
169.10147	9.2
170.07317	1.5
170.10939	3.0
171.08060	6.1
171.11676	5.8
172.08780	1.8
173.06017	4.9
173.09656	6.3
175.07581	4.1
178.07843	1.1
179.07040	3.0
179.08632	5.1
181.06496	1.9
181.10144	3.9
182.07310	3.0
183.08102	7.6
183.11687	2.6
184.08824	3.8
185.06090	2.8
185.09613	9.4
185.13234	1.2
186.10327	1.0
187.07579	5.6
187.11226	4.6
189.05447	1.2
189.09172	2.9
191.07030	1.5
193.10143	2.8
194.10800	1.2
195.08083	6.3
196.08878	2.2
197.06055	2.1
197.09634	17.8
198.10448	2.8
199.07518	5.0
199.11232	9.2
201.09097	2.8
203.06955	2.1
205.08618	2.0
207.08107	4.7
207.11690	1.5
208.08736	1.6
209.09619	4.2
210.10384	1.3
211.07649	5.1
211.11232	2.7
213.05685	1.2
213.09189	8.4
213.12727	1.8
214.09869	1.6
215.07002	1.9
215.08841	2.0
215.10693	6.5
217.08524	2.0
217.10387	1.2
220.12476	1.3
221.09714	2.4
223.07550	4.2
223.11198	3.2
225.09135	25.1
225.12640	2.1
227.07079	2.8
227.10728	3.8
229.08641	3.5
229.12238	2.2
233.07968	1.4
235.07613	2.5
235.11429	1.7
237.09212	2.6
239.10683	3.2
241.08496	11.6
243.09877	4.5
245.08073	3.3
247.09589	2.2
249.09097	1.8
249.12860	1.8
251.06963	1.6
251.10741	2.3
253.08607	3.1
253.12370	1.9
255.09999	4.9
257.07996	10.9
257.11514	5.1
258.13998	1.2
259.09732	4.3
263.14304	1.3
265.08563	1.4
267.10306	3.2
269.13345	1.2
271.09467	1.8
272.11908	1.7
273.11371	3.4
275.12848	1.1
277.12140	1.2
279.10162	2.4
281.12015	1.3
283.09570	5.6
285.11169	11.9
287.10593	1.3
287.14020	1.9
289.15906	1.6
291.10208	1.2
291.13675	1.7
293.11945	1.0
296.11728	1.6
297.12506	1.3
299.10507	1.6
299.14328	2.1
301.10809	4.1
303.12396	4.0
305.12091	1.1
309.11768	1.2
313.12082	2.1
313.15460	1.4
314.12949	1.1
315.13589	3.0
317.11761	1.9
317.15323	1.9
319.12140	1.1
326.12964	1.2
327.13580	1.6
329.15274	1.5
331.13303	1.7
331.16870	1.7
333.14648	1.3
339.13760	2.6
341.15302	1.5
343.13297	3.0
345.14963	1.8
347.16534	1.3
355.13260	1.6
357.14862	5.3
359.16229	2.4
361.14124	1.3
363.15854	1.0
367.13284	2.6
373.14148	2.0
375.15656	2.7
377.17538	1.5
385.14093	6.1
391.15213	1.6
395.12994	1.3
395.18561	2.2
401.17725	1.5
403.15472	6.8
407.14819	3.7
413.13965	1.9
417.17029	3.4
419.14835	1.6
421.16470	3.2
423.14282	4.7
427.15479	2.9
431.15207	4.8
433.16562	2.3
435.17853	1.9
437.15994	1.6
445.16495	8.4
449.16058	2.4
451.17566	7.2
463.17545	21.1
467.17163	5.3
481.18481	12.9
507.18179	2.0
523.19482	3.8
525.19116	1.4
541.20563	2.3
557.21356	2.7
567.19739	3.0
571.19489	1.4
573.21136	6.8
585.21271	14.7
603.22388	11.1
627.21936	1.6
645.23291	3.2
663.24060	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.7
53.03952	10.2
55.01867	6.9
55.05500	6.0
65.03942	1.9
67.05497	5.6
68.93334	1.5
70.85536	3.6
74.65106	1.5
77.03906	2.5
79.05503	9.7
81.03431	8.7
81.07039	3.0
83.05003	8.9
91.05459	11.5
93.07033	6.1
95.01354	2.0
95.04982	14.9
95.08620	3.0
97.02957	2.1
97.86993	1.5
103.05466	5.4
105.03403	100.0
105.04524	4.7
105.07037	22.4
107.04953	4.1
107.08601	3.6
109.06500	2.6
109.10136	2.1
109.67706	1.5
111.04503	1.8
115.05472	5.1
117.07008	5.7
119.04928	3.5
119.08598	8.9
121.06501	4.1
123.04432	2.9
128.06216	6.7
129.07022	8.2
131.04922	7.7
131.08577	7.6
132.05286	1.5
133.06511	19.1
133.10129	4.3
135.04395	3.2
135.08038	6.4
137.05963	3.7
141.07021	6.9
142.07776	4.7
143.08659	7.4
145.06456	7.9
145.10112	3.0
147.08055	6.1
148.08417	1.6
149.06039	2.5
151.07561	2.7
153.01903	1.8
153.05547	1.6
153.06998	2.3
154.07785	4.5
155.08568	5.5
156.09348	3.6
157.06493	4.4
157.10112	9.6
159.08087	9.2
161.05995	36.5
161.09581	4.1
161.54648	1.7
163.07579	11.8
165.05582	1.5
165.07018	5.0
166.07782	2.7
167.08601	4.3
169.06436	3.1
169.10121	10.2
171.08081	4.8
171.11678	7.7
172.08781	1.6
173.06046	4.9
173.09592	5.7
175.07561	4.0
177.05589	1.5
179.07047	3.2
179.08629	5.0
181.06445	2.6
181.10173	3.5
183.08104	7.3
183.11707	8.0
184.08865	2.7
184.12115	2.0
185.05995	2.5
185.09648	7.5
187.07574	3.8
187.11189	4.2
188.08308	1.6
189.09085	2.8
193.10135	2.1
195.08105	6.5
195.11725	2.8
196.08794	3.3
197.05939	1.6
197.09624	15.0
198.10362	2.8
199.07520	4.6
199.11168	11.4
200.08345	1.5
201.09093	3.2
203.07008	2.8
205.08414	1.8
205.10081	1.9
207.08017	4.7
208.08836	2.1
209.09641	4.6
211.07726	3.5
211.11168	3.9
213.09181	11.1
215.10683	6.1
217.08630	4.5
217.12132	2.2
218.10992	1.9
221.09492	2.9
223.07559	4.2
223.11142	3.1
225.09113	23.5
226.09831	2.1
227.07066	2.5
227.10709	4.0
229.08472	2.6
229.12250	2.9
233.07935	2.5
233.60538	1.7
237.09099	1.7
237.12697	2.9
239.10701	5.9
241.08456	8.4
243.10052	3.6
245.08047	4.4
247.09549	2.6
251.10831	1.8
254.11066	2.2
255.10121	3.9
257.08154	8.5
257.11713	5.6
259.09512	3.7
267.10333	2.4
271.09872	2.1
273.11206	2.2
283.09619	2.5
285.11276	9.5
296.11737	2.3
297.78949	1.8
298.13370	2.9
301.10767	4.4
303.12561	2.8
313.16147	2.6
315.13736	2.7
325.12253	1.8
329.15250	2.4
347.16507	2.0
357.14728	3.5
359.16327	2.4
373.14212	2.7
375.15918	4.2
377.17313	4.0
385.14124	4.1
393.17163	2.8
395.13052	1.8
395.18442	3.2
403.15433	8.3
407.14804	3.6
413.13760	2.7
417.16769	3.4
419.14728	2.2
421.16455	1.8
423.14471	3.2
427.15399	3.2
431.14844	4.2
433.16397	2.2
434.20892	1.8
435.17880	3.6
445.16391	5.9
449.15805	3.6
451.17261	6.5
463.17596	20.1
467.16867	4.9
481.18597	9.5
507.17688	3.2
525.18933	1.8
557.21710	2.8
567.20154	4.4
573.21277	7.2
585.21313	17.5
603.22357	9.9
645.23041	4.3
663.23944	3.2
695.29352	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77134	1.9
52.98318	1.7
53.03940	7.2
55.05515	26.2
57.03441	11.5
57.07064	3.8
60.36641	1.8
65.03940	6.0
67.05504	91.6
69.06725	2.7
69.07070	35.1
71.04976	8.3
71.08620	2.3
71.56028	1.7
74.09714	2.6
77.03939	2.3
79.05490	68.0
81.07058	100.0
83.04975	4.2
83.08629	22.3
85.06528	3.4
91.05480	74.9
93.07046	70.7
95.04981	4.0
95.08605	74.8
97.06537	12.1
97.10161	9.3
99.08087	2.4
103.05470	1.9
105.07033	43.6
107.08591	37.5
109.06514	4.8
109.10159	29.9
111.08083	6.1
115.05479	4.1
117.06229	2.7
117.07016	45.3
119.08595	31.6
121.10139	52.9
123.08056	3.6
123.11717	8.2
129.06993	9.3
131.08571	41.8
133.10144	26.4
135.11673	30.2
137.09605	4.7
137.13240	2.8
139.84526	2.1
141.06987	3.1
143.08627	9.8
143.09589	2.0
145.10118	17.7
147.11703	13.7
149.13243	6.3
153.12801	3.5
157.10158	6.5
159.11668	11.2
161.09590	2.5
161.13271	9.0
163.11143	2.4
165.12724	2.5
169.10167	4.7
171.11697	7.8
173.13306	5.6
183.11720	4.2
185.13289	4.3
197.13263	4.0
231.17332	2.5
239.17924	8.9
240.48824	2.1
243.21118	3.8
257.18985	26.0
259.20538	5.5
261.22137	6.7
261.48114	2.4
275.20074	17.3
277.21689	2.3
279.23196	13.3
310.16592	1.9
313.21591	2.5
331.22595	26.7
335.26035	2.2
349.23712	11.5
351.25391	6.7
353.26865	76.4
354.27408	2.2
363.25339	5.0
381.26376	17.0
475.20618	2.6
583.43512	3.1
601.44604	43.5
609.44879	14.5
622.27557	8.8
627.46252	27.7
637.26709	3.8
641.48096	3.3
659.48779	34.3
695.37274	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	694.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.01865	4.6
55.05517	23.6
57.03440	11.2
57.07071	2.7
61.74607	1.7
65.03942	4.3
66.84398	2.0
67.05508	97.9
69.07073	27.1
71.04979	8.9
79.05494	69.6
80.05845	1.8
81.07064	100.0
83.04978	3.9
83.08620	15.3
83.34423	1.9
85.06547	4.6
86.16914	2.0
91.05486	80.3
93.06480	4.4
93.07050	71.6
94.07363	2.3
95.04968	7.3
95.08612	74.3
97.06532	9.7
97.10161	9.8
99.08099	2.9
105.04527	3.2
105.07026	44.3
107.05009	2.0
107.07880	2.0
107.08601	36.7
108.51739	2.1
109.06481	4.0
109.10169	30.9
111.08080	3.2
115.02451	1.8
115.05429	4.8
116.06207	1.9
117.07018	57.9
117.41316	1.9
118.37244	1.8
119.08586	35.7
121.10149	37.2
123.08078	8.5
123.11684	6.2
125.09654	3.1
128.06259	2.3
129.07002	8.6
131.08577	44.9
133.06381	2.3
133.10161	27.4
135.08092	3.5
135.11719	19.7
137.09598	5.9
137.13258	2.7
141.07021	3.0
143.08588	12.3
145.10132	31.3
147.11697	18.6
149.09627	2.6
149.13254	7.0
151.28833	2.1
155.08531	3.7
157.10136	13.9
159.11708	17.5
161.13326	11.9
163.11171	2.7
163.14824	3.2
165.12714	3.7
169.10153	4.8
171.11671	10.7
173.09587	7.0
173.13293	7.5
177.12691	2.5
181.12202	2.8
183.11714	4.1
185.13290	4.1
189.12671	2.6
197.13286	4.7
229.19553	2.7
231.89044	2.1
239.18037	9.8
257.19040	28.9
259.20676	11.2
261.22073	4.7
263.16345	4.2
271.16980	2.8
275.20038	15.7
277.21622	4.5
289.18076	4.4
313.21786	2.0
315.23245	2.8
331.22696	19.5
333.24243	16.3
335.25812	41.2
340.93848	2.1
345.20575	2.7
349.23779	20.5
351.25375	12.2
353.26889	23.5
381.22256	3.3
381.26483	6.1
433.20273	3.3
509.85498	2.0
517.40259	3.2
535.41058	3.9
561.92834	2.5
601.44135	4.1
609.45050	19.2
623.43506	3.4
627.46008	23.5
641.44489	10.8
659.47778	7.1
695.28864	21.8
695.41974	3.6
718.18146	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40533	1.3
53.03941	4.2
55.01871	2.7
55.05315	1.6
55.05519	17.8
57.03430	5.4
57.07056	1.6
61.27037	1.4
62.06092	1.7
65.03957	1.4
67.05508	60.0
69.06791	1.3
69.07078	17.2
71.04991	3.1
71.26263	3.0
79.05501	43.4
80.05862	1.9
80.43899	1.5
81.03427	3.3
81.07059	72.8
82.07366	2.0
83.04978	4.8
83.08631	14.5
85.02877	1.8
85.06544	5.0
91.05489	56.4
93.06474	3.2
93.07046	51.9
95.04969	4.8
95.08612	38.2
97.06517	8.9
97.10174	5.1
99.08070	2.5
99.26324	1.6
103.05494	1.7
105.07034	29.8
107.04932	2.8
107.08598	28.7
109.06535	5.7
109.10161	16.8
111.08104	11.3
117.07038	19.2
119.08591	24.7
121.06532	4.0
121.10153	26.6
123.08052	3.7
123.11690	3.3
125.09648	4.6
129.07004	4.4
131.08572	26.9
133.06523	2.8
133.10133	26.5
135.08061	16.4
135.11700	13.0
135.83606	1.5
137.09612	7.3
139.11214	2.1
141.09142	1.7
143.08556	3.2
144.09302	1.9
145.10121	18.3
147.11707	16.1
149.09639	11.0
149.13283	8.1
149.68781	1.5
151.11128	2.8
157.10107	6.6
159.11697	20.6
161.09651	1.8
161.13251	4.1
163.11206	7.1
165.12781	3.0
169.10115	3.4
171.11710	8.4
173.13269	8.3
175.11163	3.0
177.12744	14.5
179.14262	1.6
183.11737	2.2
185.13335	2.3
189.12703	1.6
193.12289	2.0
197.13254	3.1
229.19405	1.8
239.17900	5.5
257.19040	9.9
273.18552	2.3
275.20078	41.0
277.21420	2.5
293.21124	6.9
335.25742	2.7
347.22202	2.2
349.23755	100.0
351.24963	2.2
367.24814	96.6
522.38617	2.1
623.42902	3.9
641.44171	16.8
659.45099	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.4
51.98064	1.0
53.03939	2.7
54.38702	0.9
55.01878	1.6
55.05516	8.7
55.28071	1.2
57.03436	5.8
57.07070	3.8
61.02927	27.1
65.03925	3.1
67.05510	51.9
69.03426	3.0
69.07079	9.9
71.04982	3.4
73.02920	8.2
75.04456	1.1
75.35878	1.0
77.03876	1.0
79.05492	34.9
81.03426	2.6
81.07060	65.8
82.07385	1.3
83.08615	6.9
85.02906	28.0
85.06551	3.7
91.03961	23.3
91.05480	19.4
93.07045	47.5
95.04988	3.1
95.08608	47.8
97.02895	13.1
97.06525	2.0
97.10186	3.0
99.04442	2.2
99.08086	1.5
103.05476	13.0
105.03394	3.0
105.07028	17.5
107.08598	31.7
109.06537	1.4
109.10164	29.4
111.04457	1.1
111.08065	1.2
113.09635	1.2
115.03941	2.2
117.06999	7.3
119.08587	16.8
121.10152	32.6
123.11713	17.3
127.03931	8.2
129.06989	1.3
131.03918	1.2
131.04929	26.0
131.08571	19.4
132.05266	3.0
133.06476	1.2
133.10136	14.4
135.08014	1.6
135.11697	25.2
137.09648	1.3
137.13268	5.0
139.11177	1.7
143.08563	1.8
145.04964	13.3
145.10141	16.4
147.11676	10.5
149.09627	1.4
149.12166	2.0
149.13266	21.7
151.14847	1.8
153.12839	1.3
157.10117	2.1
159.11700	13.4
161.09639	1.1
161.13272	8.9
163.04723	1.7
163.06032	25.9
163.14836	15.5
165.12759	2.5
171.11775	1.8
173.13284	15.5
175.14856	2.6
177.16389	6.7
179.14314	2.6
183.11708	1.5
187.14816	9.5
193.15941	1.3
196.12212	1.4
197.09554	1.1
199.11113	1.5
201.16389	3.6
205.15887	2.7
213.12717	1.7
215.18193	1.2
217.08905	1.0
219.11696	1.1
219.17456	1.2
233.22673	3.7
243.21092	39.0
244.21349	1.3
261.22156	100.0
262.22540	2.5
263.23654	1.6
273.77466	1.2
279.23224	2.1
285.67929	1.0
292.99622	1.0
303.17560	1.2
315.17853	1.1
325.11584	1.3
335.25812	20.4
353.26877	69.2
354.27127	1.8
378.11414	1.2
388.19986	2.8
405.20569	1.4
406.20709	2.0
423.21661	1.2
497.30911	1.8
529.23914	1.4
548.36102	1.1
635.25830	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	694.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.4
52.06639	0.8
53.03947	3.9
55.01876	2.5
55.05513	13.5
57.03191	1.1
57.03440	13.9
62.62020	0.8
65.03962	1.1
66.17915	0.9
67.05508	30.2
69.03424	2.4
69.07080	6.8
69.18253	0.7
71.01340	2.1
71.04991	3.4
71.55402	1.1
79.05497	25.9
81.03421	44.3
81.07059	16.9
83.04989	17.3
83.08628	13.1
85.00353	0.9
85.02912	2.6
85.06548	2.4
86.09750	1.1
91.05486	16.9
91.06020	1.5
91.09316	0.8
93.06467	1.9
93.07048	28.5
95.04974	15.6
95.08623	5.4
97.06544	7.9
97.10178	7.4
99.08080	1.4
103.05476	4.4
105.03415	7.7
105.04511	1.5
105.07039	12.7
107.04983	3.4
107.08598	19.4
108.81071	0.9
109.06522	2.9
109.10134	5.4
111.08064	4.6
111.09806	0.9
113.05998	1.0
115.05438	1.7
115.67406	0.9
117.06984	5.9
119.08583	13.9
121.06529	4.1
121.10149	6.9
123.08089	2.2
125.09634	2.6
128.06244	1.0
129.07053	4.6
131.04926	8.6
131.08575	7.8
132.05263	1.1
133.06508	3.8
133.10120	6.7
135.08073	2.8
135.11697	31.0
137.09615	2.1
142.07755	1.7
143.08560	4.7
145.06514	1.6
145.10133	9.9
147.08073	3.8
147.11710	5.1
149.09572	5.2
149.13297	1.0
155.08556	1.9
156.09399	1.3
157.10144	11.5
159.08104	3.2
159.11717	3.1
161.05994	2.8
161.09659	2.0
163.07579	1.6
163.11215	6.3
165.12816	1.2
167.08679	1.1
169.10153	3.9
170.10741	1.4
171.08054	1.0
171.11674	7.7
172.12312	0.8
173.09668	1.5
173.13275	1.0
175.07607	1.0
175.11186	5.1
177.09114	1.5
179.08553	1.2
181.10138	1.3
181.12239	7.1
183.11700	8.2
184.07350	3.1
184.12047	1.6
185.09592	2.4
185.13258	4.3
187.11189	2.2
191.07076	1.1
192.02782	1.0
193.10381	1.6
193.12238	15.1
195.11717	2.8
197.09581	1.7
199.11218	2.0
201.09135	1.3
201.12807	1.2
201.19232	1.0
207.11754	1.3
209.13268	1.5
211.11285	2.1
211.13318	2.6
213.12769	7.0
214.12953	1.1
218.10844	1.3
221.13295	1.5
223.11168	1.8
229.12244	1.2
231.11813	1.3
231.13881	1.3
237.12628	1.0
243.13914	1.4
245.13332	1.1
245.15430	1.6
246.13818	1.2
247.14938	1.2
249.14873	1.6
255.15919	67.6
261.16388	1.0
267.15936	38.3
268.16333	1.1
273.14914	2.5
278.16599	0.8
285.16812	1.9
287.18500	1.5
303.17041	1.0
319.16306	0.9
331.16678	1.5
345.18439	1.4
350.18991	0.9
357.18393	0.9
359.16049	1.1
361.17731	1.1
373.17709	1.2
403.19357	1.0
405.20404	1.3
409.19662	1.2
417.20306	1.0
421.20340	1.9
421.25748	8.6
434.20346	1.1
439.26923	3.1
447.27457	100.0
448.27753	3.3
451.20953	1.0
457.19846	1.2
465.28479	6.2
469.22345	0.9
475.20786	5.7
479.30249	1.0
489.28229	1.3
497.31155	3.7
535.23297	1.7
575.26392	1.5
635.28644	4.2
694.29071	11.3
695.30389	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	694.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
53.03930	2.2
55.01860	1.2
55.05515	11.8
57.03433	5.6
57.07082	4.1
61.02930	25.4
62.37185	0.7
65.03932	1.6
67.05508	61.3
68.05827	0.7
69.03419	3.3
69.07070	11.4
71.04983	2.0
71.08623	1.2
71.83424	0.6
73.02927	8.2
74.09706	1.2
75.04455	1.1
77.03931	1.3
77.82333	0.6
79.05495	33.4
81.03410	1.6
81.07060	74.3
82.07390	1.0
83.04963	1.2
83.08632	7.9
84.20110	0.7
85.02909	26.8
85.06527	3.2
87.04449	1.1
87.71949	0.8
91.03407	1.5
91.03957	21.8
91.05477	16.9
93.07047	47.3
95.04970	2.2
95.08612	55.7
97.02296	0.8
97.02899	13.6
97.06528	2.8
97.10187	3.9
99.04449	2.0
99.08082	2.0
103.03915	1.2
103.05478	4.1
105.07038	15.2
107.08598	32.5
109.02901	1.3
109.06504	1.2
109.10162	33.9
111.08027	1.7
111.11699	1.3
113.09628	1.1
115.03927	1.0
117.05494	0.8
117.07018	9.3
119.08584	15.0
121.10150	31.2
123.08064	2.2
123.11717	19.2
125.09640	2.1
127.03923	10.3
129.05464	0.9
129.07010	1.0
131.04951	9.0
131.08583	16.4
133.10127	14.2
135.08054	1.3
135.11694	26.2
137.09601	2.9
137.13258	8.3
139.11186	2.2
145.04958	12.8
145.09010	1.4
145.10109	13.7
147.11696	11.3
149.09628	0.8
149.13264	20.8
151.11192	1.8
151.14845	2.4
153.12692	1.5
159.11703	12.9
161.13263	10.9
163.04697	1.5
163.06024	20.3
163.11163	1.0
163.14812	14.8
165.12756	2.5
171.08047	0.8
171.11682	1.1
173.13255	14.4
173.31488	0.8
175.14833	3.0
177.12770	1.9
177.16429	5.6
179.14328	1.8
183.11650	0.9
185.13187	1.0
187.14842	7.8
191.14282	1.8
201.16422	2.7
203.17892	0.7
205.15878	1.8
215.17976	0.9
217.19588	0.9
219.17456	1.1
233.22638	3.6
243.18498	0.9
243.21097	34.4
261.22147	100.0
262.22531	2.2
263.23672	1.7
279.23123	6.1
297.63467	0.7
317.25012	1.0
325.11487	0.8
335.25809	33.9
336.26218	1.1
353.26877	62.0
354.27271	1.8
425.36118	0.8
497.31128	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	694.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.0
55.01879	7.5
55.05513	50.3
57.00616	4.1
63.66672	5.0
65.03970	4.6
67.05499	13.1
69.03424	9.2
70.79343	9.5
70.79668	5.7
71.83661	4.1
79.05496	19.3
81.03426	9.4
81.07050	14.3
82.02951	14.6
83.04994	90.1
85.02890	5.1
86.74809	4.5
91.05491	41.2
93.07042	18.4
95.04991	32.3
95.08600	8.4
97.02885	6.5
99.04453	8.3
103.05476	17.6
105.03404	59.3
105.04502	5.4
105.07043	42.5
106.03734	13.1
107.08585	11.9
109.06545	31.7
109.10167	5.5
113.05985	4.5
115.05464	17.5
117.07021	35.4
119.04920	6.6
119.08588	56.9
121.06504	12.8
123.08054	7.0
128.06238	11.0
129.06993	15.7
131.04916	24.3
131.08574	35.8
133.06488	21.1
133.10124	27.0
135.08035	18.5
137.05980	11.7
137.55984	4.6
141.07018	10.7
142.07790	13.5
143.08571	29.3
145.06546	23.0
145.10104	31.6
146.07350	6.9
147.08047	26.2
149.09619	20.3
155.08577	20.9
156.09354	20.4
157.06461	6.9
157.10136	61.2
158.10876	11.4
159.08107	30.6
159.11725	40.5
160.05194	5.4
161.06018	21.5
161.09607	16.9
162.06772	11.0
163.07556	17.2
163.11098	5.7
165.07019	6.0
167.08554	8.6
168.09335	10.0
169.06627	4.2
169.10143	41.6
170.10892	38.4
171.08054	14.3
171.11707	69.1
172.08882	5.3
173.05971	7.6
173.09624	22.3
173.13295	7.5
174.06816	8.2
174.10324	5.2
175.07614	11.6
175.11247	5.5
176.08307	8.6
177.09128	21.4
178.06281	5.6
179.08510	8.1
180.55817	5.1
181.10133	17.0
182.10889	5.8
183.08064	11.5
183.11714	100.0
184.12376	8.3
185.09612	30.0
185.13313	33.4
186.10320	7.0
187.07487	7.7
187.11212	15.5
189.05435	5.6
189.09093	16.4
191.10681	6.5
192.09375	6.1
193.08597	7.3
193.10193	15.7
194.10854	11.3
195.11700	17.7
197.09660	19.8
197.13239	12.9
198.10416	5.0
199.07669	5.8
199.11189	20.3
201.09142	13.3
201.12755	16.4
203.08621	5.9
203.10616	8.5
205.10242	8.8
206.10944	14.5
207.11708	26.4
208.12486	10.5
209.09720	6.9
209.13240	13.4
211.11140	26.7
213.09122	13.6
213.12733	17.0
215.10706	11.9
217.12251	6.8
219.11639	8.1
220.12460	7.9
221.13251	30.3
222.10515	8.4
222.13939	8.1
223.07475	6.6
223.11197	13.6
223.14839	16.2
224.11877	5.6
225.12685	7.8
227.10667	10.2
229.10219	10.2
229.12262	19.3
230.10843	7.5
230.12909	5.4
231.11668	14.0
231.13780	10.7
232.12436	9.5
232.14615	6.8
233.13278	15.4
233.15387	6.8
234.10286	6.5
234.13992	6.5
235.11185	10.6
235.14850	17.7
236.11971	6.2
237.12776	14.8
238.13490	4.6
239.14265	7.9
242.11079	7.2
243.11650	10.9
243.13908	19.5
245.13469	11.1
245.15471	10.6
246.13841	10.9
247.11234	7.2
247.14886	10.1
248.11960	5.7
249.12808	9.7
250.13232	4.9
251.10652	6.7
251.14278	15.4
255.11594	7.9
256.12622	7.7
257.13373	5.5
258.14063	9.0
259.11121	6.4
259.14850	12.7
261.12631	14.5
261.16696	8.3
262.13541	8.4
263.14243	7.1
265.12332	7.6
269.13287	8.3
270.13986	9.0
271.14642	5.1
277.15509	5.2
279.13873	7.6
283.14505	5.6
284.12115	5.6
284.15549	6.5
285.12659	9.1
285.16382	13.4
287.10669	6.0
287.14133	7.7
297.12619	9.0
301.15958	8.0
303.17279	11.4
313.15555	11.6
315.13757	13.2
315.17169	5.5
317.15295	8.9
321.18436	5.4
327.17337	13.7
329.15314	16.1
330.15894	11.3
331.16684	24.0
333.15060	10.7
333.18491	5.8
344.17578	12.0
345.18530	21.0
347.16422	10.7
348.17007	6.5
355.17014	5.6
357.14828	8.7
359.16397	9.5
361.18170	9.1
362.18634	6.9
363.19724	8.8
372.17230	13.1
373.18027	27.4
384.19684	6.3
387.19608	8.9
389.17319	9.2
390.18173	22.0
391.18997	18.9
400.16403	6.4
401.17535	7.8
402.20572	7.7
404.19867	19.0
405.20615	19.2
407.18515	9.2
408.18951	5.1
418.17914	10.4
419.18512	11.8
422.20996	22.0
432.19049	12.8
433.19965	15.1
434.21497	5.6
440.22101	8.6
450.20331	14.9
451.20856	16.9
465.22787	16.5
468.21198	11.0
479.29428	6.8
483.23843	11.1
493.21771	5.6
511.23032	6.8
580.28882	5.8
598.24597	6.4
611.28070	13.7
627.27649	7.5
643.31317	52.2
676.30078	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	694.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.7
57.03439	0.8
65.03944	0.8
67.05504	11.9
69.07061	1.5
70.38204	2.1
71.04977	1.4
71.58607	0.7
79.05486	5.1
81.07059	11.2
82.07365	0.6
83.04978	0.9
83.08614	2.0
91.05469	7.0
93.07050	7.4
95.08598	7.0
97.06540	0.8
97.10183	0.8
105.07028	4.4
107.08601	3.0
109.06535	1.1
109.10152	2.6
111.08041	0.7
117.07005	3.3
119.08582	4.2
121.10139	5.3
123.11688	0.8
129.07004	1.5
131.08539	4.0
133.10121	4.0
135.11702	2.8
136.22537	0.7
137.05978	6.6
137.13287	0.8
145.10143	1.9
147.11685	1.7
149.09552	0.7
157.10130	1.9
159.11737	1.6
161.13297	1.0
171.11708	1.3
173.13304	0.8
177.12709	0.9
179.14354	0.7
239.17879	0.8
257.19070	1.3
259.20508	0.9
277.18045	3.7
277.21289	1.1
331.22598	0.8
333.24280	1.0
335.25760	2.1
349.23697	1.2
351.21497	1.1
351.25323	2.8
353.26807	1.2
385.15097	0.7
400.16949	1.5
401.17477	0.9
402.19812	1.1
413.17639	1.9
414.18292	3.3
415.19168	5.0
427.19125	1.2
428.19885	3.7
429.20755	11.3
430.21906	2.2
442.21423	1.3
443.22397	7.5
444.23560	3.7
455.18948	1.5
456.19507	1.8
457.19403	1.3
457.24057	3.1
458.25217	4.8
459.21442	6.5
460.21967	1.6
461.21988	0.8
470.20840	1.5
471.21933	2.3
472.22549	5.3
473.23517	1.1
474.22629	0.8
476.22421	0.9
485.23486	10.1
486.24982	3.0
496.40561	0.7
500.22025	1.7
503.24438	1.8
513.22742	2.8
514.23383	1.0
517.26099	7.5
529.25977	1.2
545.25476	67.9
546.25812	2.3
573.24945	14.3
574.25049	1.0
605.27557	100.0
606.28247	3.9
609.42303	0.9
627.42816	3.7
659.45801	1.5
694.14075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	5.2
52.76920	4.3
53.03951	15.8
53.59891	4.1
55.01872	9.4
55.05506	19.5
57.03438	7.0
57.07057	5.8
61.02919	9.3
67.05508	50.8
68.53463	4.3
69.03416	17.6
69.07071	12.9
69.32078	17.5
69.32515	21.7
73.50232	3.9
76.60543	4.3
78.89230	4.9
79.05492	47.6
81.03418	8.9
81.07062	57.9
83.01328	5.6
83.04964	9.7
85.02908	20.8
90.34428	4.1
90.53667	4.5
91.03949	15.5
91.05491	56.7
93.07063	61.1
95.04993	22.8
95.08070	4.3
95.08627	57.4
97.02910	9.6
97.06538	9.7
97.10171	4.2
103.05474	54.7
104.05814	9.9
105.03398	72.9
105.07036	72.1
107.04961	12.7
107.08601	49.9
109.06533	14.2
109.10162	25.3
115.03974	5.0
115.05464	8.6
116.06258	6.8
117.07029	27.3
119.08588	52.8
121.06493	12.5
121.10144	42.0
123.08057	10.4
123.11684	11.9
127.03969	6.1
128.06247	12.5
129.06999	19.1
131.04947	100.0
131.08575	49.0
132.05255	15.9
133.06493	18.0
133.10135	61.4
135.08051	19.7
135.11700	13.8
137.09550	5.9
137.94667	4.8
141.07019	8.0
142.07806	14.6
143.08589	30.2
145.04929	7.7
145.06474	13.0
145.10114	37.2
147.08066	30.5
147.11690	12.6
149.06003	5.2
149.09630	40.4
149.13286	10.1
151.07610	8.0
151.57231	4.9
155.08525	21.0
156.09358	22.8
157.10129	63.5
159.08043	18.5
159.11691	33.3
160.08905	4.9
161.06070	7.4
161.09647	24.4
161.13248	10.1
163.06039	15.6
163.07513	12.5
163.11183	9.4
163.14816	8.0
165.07011	6.6
165.09010	5.0
167.08618	6.5
168.09322	6.8
169.10170	28.4
170.10883	18.0
171.08058	15.3
171.11693	84.1
172.08745	5.2
172.12047	4.9
173.09634	35.8
173.13271	12.7
175.07544	11.1
175.11137	11.0
177.09140	7.9
178.07773	6.9
179.07068	5.6
179.08542	9.3
180.09283	10.2
181.10109	15.3
182.10921	8.2
183.08095	12.7
183.11725	84.7
184.12181	6.0
185.09666	20.4
185.13286	60.3
187.07553	9.8
187.11194	16.6
187.14803	6.7
189.09093	4.6
192.09349	8.2
193.10124	22.2
195.08130	7.3
195.11671	29.0
196.12502	4.9
197.09633	12.7
197.13306	16.1
198.10339	6.9
199.11241	33.7
200.11987	10.4
201.09122	9.5
201.12686	14.4
203.08531	4.7
205.10335	6.6
205.12183	5.8
206.10857	9.5
207.11708	20.8
209.13258	14.8
211.11224	23.5
213.08951	7.4
213.12782	62.5
213.42903	4.4
214.13113	10.1
215.10675	6.5
217.12144	7.3
218.10931	6.4
219.11761	15.1
220.12450	13.4
220.72781	4.5
221.13231	17.5
222.14156	5.2
223.11176	12.7
223.14760	9.6
225.12648	7.1
227.10568	6.9
229.10220	5.7
229.12256	15.5
230.10835	8.7
231.11684	17.9
231.13742	7.6
232.12355	7.7
233.13240	14.9
234.14085	10.1
235.11156	7.4
235.14804	14.0
237.12778	15.8
241.12300	13.8
243.11591	14.7
243.13860	19.2
243.21083	28.2
244.12425	9.2
245.13208	20.4
245.15460	26.7
246.14000	15.5
247.11049	10.2
247.14803	14.6
248.11958	6.9
248.15425	6.0
249.12685	11.5
249.16368	16.9
255.13837	7.4
256.12430	5.7
257.13431	10.8
258.14127	14.2
259.14816	17.0
260.15485	8.5
261.12689	9.6
261.16394	13.3
261.22217	55.6
262.13406	6.6
263.14087	6.1
263.17996	5.4
269.13107	6.6
270.13925	7.0
271.10919	5.4
271.14880	13.7
272.15552	12.7
273.14825	15.6
273.16827	6.4
275.14334	7.6
275.17737	10.9
277.15836	13.9
282.14096	5.8
285.12738	13.0
285.16312	16.7
287.10968	5.2
287.14355	8.7
287.17801	10.2
288.14890	6.1
291.17310	14.0
295.16647	5.0
299.14178	7.0
301.15875	10.2
302.16718	5.2
303.13727	7.7
303.17374	10.5
304.17764	5.5
305.15115	4.9
305.18848	9.0
311.17624	6.7
313.15854	6.9
315.13791	6.6
315.17340	15.5
317.19016	11.4
319.16870	7.6
321.18518	11.2
323.20059	9.3
331.16898	18.8
333.18445	13.9
335.25824	9.6
341.14978	5.5
345.18488	12.2
347.16370	14.3
347.20148	10.3
349.17935	14.3
351.19470	9.1
353.26831	41.2
355.16785	10.7
357.18362	11.7
359.16266	20.9
360.08157	4.7
361.17838	9.1
363.19470	16.9
367.19144	12.7
369.20554	4.3
373.17874	20.6
375.19443	10.8
377.17517	18.3
387.19534	10.3
388.19751	8.3
389.21332	6.5
391.18961	33.7
393.20544	9.2
401.17303	9.0
405.20566	17.3
406.20782	9.2
407.22156	13.8
409.20032	13.0
419.18457	35.3
421.19882	13.5
423.21835	22.5
433.20203	39.4
441.22794	10.8
446.06851	6.3
449.65567	5.1
451.21228	64.2
469.22153	43.1
495.23856	5.7
523.23529	6.3
537.24634	6.4
555.26013	34.9
645.26605	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	694.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.01861	2.0
55.05519	4.3
55.20982	0.8
57.03440	4.3
61.02937	4.3
67.05511	14.3
68.05832	1.2
69.03421	3.7
69.04541	1.8
69.07072	3.5
69.18360	9.3
69.39246	0.9
70.06599	8.5
71.04997	1.1
73.02929	1.5
75.04488	1.5
79.05500	12.2
80.27744	0.8
81.03425	4.3
81.07068	13.0
83.04993	2.9
83.08620	2.7
84.78535	0.8
85.02911	6.8
85.06561	1.1
88.11778	0.9
91.03961	4.9
91.05490	12.3
93.05519	6.2
93.07058	12.8
95.04963	5.0
95.08615	10.0
97.02891	3.6
97.06524	2.2
98.20779	2.1
99.04468	1.0
103.05477	45.4
105.03388	2.0
105.04560	1.0
105.07038	14.4
107.04958	2.0
107.08604	10.3
107.15079	0.9
108.08921	1.0
109.06536	1.8
109.10166	5.3
111.04411	1.2
111.08140	1.5
115.05441	2.2
117.07035	5.9
119.04928	1.5
119.08600	12.8
121.06482	2.3
121.10161	5.3
123.08070	2.0
123.11643	1.1
125.09657	0.9
127.03908	3.5
127.32207	0.9
128.06235	2.8
129.07013	4.2
130.07744	1.1
131.04944	100.0
131.08582	11.3
132.05280	2.1
133.06520	4.9
133.10141	13.0
135.08046	4.0
135.11707	2.7
137.09641	1.3
141.06981	1.9
142.07803	3.0
143.08580	5.9
145.04982	2.1
145.06516	2.0
145.10155	9.3
147.08075	6.3
147.11711	3.5
149.05872	1.2
149.09624	6.7
149.13220	1.9
151.07431	1.2
153.07028	1.1
155.08601	5.1
156.09323	3.2
157.06467	1.1
157.10158	11.7
159.08087	3.7
159.11722	5.1
161.05989	4.0
161.09656	4.4
161.13298	3.2
163.06023	5.1
163.07526	2.5
163.11189	3.5
165.06956	1.8
165.09180	1.0
167.08643	2.9
169.10150	7.1
170.10851	2.8
171.08061	4.1
171.11719	16.7
173.09639	5.3
173.13205	2.7
173.61073	0.9
175.07613	2.6
175.11221	1.0
177.09096	1.9
179.07100	1.7
179.08527	2.0
181.10127	2.7
183.08092	1.7
183.11710	12.9
185.09601	3.8
185.13281	10.2
187.11169	4.4
189.09207	1.5
189.12755	1.3
191.10658	1.0
193.08623	1.8
193.10194	4.5
193.11971	0.9
194.10838	1.2
195.11705	3.4
197.09637	3.2
197.13278	3.9
199.11198	4.8
205.12242	1.9
206.10933	2.1
207.11736	3.4
208.12454	1.3
209.09676	1.6
209.13292	2.8
211.11292	4.3
211.14975	1.0
213.09177	1.3
213.12781	12.0
215.10771	1.5
217.10286	1.5
217.12138	1.7
219.11797	2.3
220.12529	2.7
220.46155	0.9
221.13187	3.5
222.10426	1.1
223.11154	2.4
223.14786	1.0
225.12827	1.5
229.10190	1.3
229.12315	1.9
229.14238	1.2
230.10983	1.0
230.14690	0.9
231.11726	2.6
231.13911	2.7
232.12593	2.2
233.13292	2.4
234.10286	1.0
234.14069	2.1
235.11183	1.5
235.14839	3.3
237.12724	2.2
239.10695	1.1
239.14262	1.0
241.12256	2.1
243.11665	2.5
243.13774	2.0
244.12593	1.6
245.13280	2.5
245.15472	4.6
247.14850	3.7
248.15512	1.4
249.12811	2.2
249.16422	2.6
251.14378	2.1
255.11162	1.8
255.13873	1.6
256.12433	1.2
257.13336	2.7
258.14056	2.6
259.15118	4.2
260.15540	1.8
261.12643	1.4
261.16528	2.1
262.13370	2.1
265.15863	1.2
269.17383	1.3
270.14047	1.1
270.17822	1.4
271.11053	1.0
271.14890	2.6
272.15567	1.5
273.14816	2.7
275.14407	1.7
275.17697	0.9
277.15918	2.4
277.21576	1.1
279.13712	1.6
285.12967	1.0
285.16364	2.3
287.14255	1.4
289.15747	1.0
291.17453	1.9
301.15881	2.7
303.17429	3.1
305.18979	1.3
307.17014	1.3
313.15894	1.5
315.17407	3.0
315.23291	1.1
317.15213	1.8
317.18964	1.5
319.17026	2.6
321.18262	2.0
323.19983	1.5
327.17627	1.6
329.15338	1.6
329.18954	2.3
331.17032	4.9
333.18518	3.0
345.14758	1.1
345.18494	3.8
347.16714	1.7
347.20224	1.1
349.17929	3.0
351.19452	1.8
351.23358	1.4
355.16797	1.8
357.18643	1.4
359.16379	2.9
361.17938	2.1
363.19492	1.9
367.18814	2.4
369.24225	4.6
373.17953	6.2
375.19531	2.3
377.17474	3.2
379.22864	1.4
387.25287	6.4
389.21146	1.5
391.19135	5.0
395.18481	1.9
401.17426	1.4
405.20612	3.5
405.26364	7.7
409.20184	2.1
411.21606	2.4
419.18549	4.8
421.19913	1.8
423.21640	3.4
423.27451	5.4
433.20187	6.4
437.19388	4.0
441.22830	1.9
451.21213	11.1
469.22177	10.0
497.21704	1.3
511.22949	1.6
529.24475	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	694.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55032	0.9
53.03938	2.6
55.01862	3.0
55.05493	4.6
56.05017	3.2
62.06090	1.1
67.05489	4.4
69.03422	2.8
69.07058	1.8
70.06582	3.9
70.80794	1.2
70.81121	2.3
71.04968	1.1
72.04502	2.6
74.06093	5.7
77.03965	1.1
79.05476	4.9
80.04997	1.6
81.03403	3.3
81.07043	4.2
82.02951	10.8
82.06566	1.3
83.01302	1.5
83.04979	5.3
85.02845	1.3
86.09716	2.0
91.05465	9.1
93.07034	3.8
95.04979	7.4
95.08614	2.3
98.06060	12.9
103.05453	3.2
105.03390	34.9
105.04488	1.9
105.07047	9.1
107.08576	5.0
108.04470	3.0
109.05278	2.0
109.06507	2.1
109.10143	1.3
111.08073	1.4
115.05456	3.4
117.07039	7.3
119.08595	12.5
121.10130	2.3
122.06076	1.2
126.05519	100.0
128.06224	2.5
128.07091	1.6
129.07021	7.9
131.04945	6.3
131.08559	9.1
132.08101	1.6
133.06456	1.4
133.10155	5.4
135.07997	1.9
141.06941	1.9
142.07759	3.7
143.08601	7.5
145.06451	2.9
145.10132	6.2
147.08015	3.8
147.11684	2.5
149.05934	2.4
149.09633	2.7
152.07118	1.9
153.06932	1.2
155.08540	5.0
156.09328	3.5
157.10136	14.4
158.09596	1.4
158.10832	1.2
159.08054	6.3
159.11674	13.1
160.07553	1.6
161.09627	4.2
165.25000	1.1
167.08539	2.9
168.09290	2.4
169.10130	9.0
170.10838	2.0
171.08055	1.5
171.11694	12.6
173.09668	5.4
173.13261	3.7
176.10760	3.5
177.09056	1.3
178.12245	3.0
179.08528	3.4
181.10106	3.8
183.08064	2.5
183.11691	19.9
184.07320	3.8
184.12216	1.4
185.09631	2.2
185.13254	4.0
186.09030	2.6
187.11171	5.0
188.10684	7.7
190.12234	2.5
191.10675	1.2
193.10117	5.6
193.12059	2.1
195.11705	3.9
197.09622	5.4
197.13301	1.8
199.11148	4.4
200.10724	3.4
201.12823	6.4
202.12291	1.4
204.10245	9.1
206.11798	45.9
207.11758	5.9
209.09651	2.2
209.13284	2.3
211.11195	5.2
213.09062	1.2
213.12772	3.4
216.10197	1.7
217.10110	3.6
217.12138	1.9
218.11880	9.9
219.11646	4.8
220.13272	2.3
221.13243	4.4
222.11292	3.0
223.14812	1.4
225.12843	1.6
229.12230	4.3
231.11664	4.5
231.13783	2.4
232.09668	5.8
232.12650	6.0
233.09627	1.3
233.13206	4.3
233.15385	3.4
234.11237	5.0
234.13506	1.6
235.11122	2.1
235.14868	2.4
237.12869	1.2
243.11650	2.4
243.13771	3.5
244.12941	2.0
245.13197	4.4
245.15465	1.8
246.14172	3.8
247.11256	2.9
247.14914	12.5
249.12698	2.5
249.16508	1.7
250.13234	1.3
255.11664	1.4
256.13120	4.1
257.13220	4.8
258.14426	3.4
259.11087	1.6
259.14963	2.0
260.12183	1.2
261.12579	2.2
261.16739	6.3
263.14215	2.0
267.15915	2.3
271.14819	3.8
272.15698	1.6
273.12634	1.7
273.16333	1.5
274.13892	1.9
275.14279	4.4
276.14520	1.1
283.15091	1.1
285.13028	1.3
285.16507	1.5
287.14331	1.4
289.15735	3.8
290.16647	1.9
291.17453	1.7
299.14487	1.3
303.17297	1.5
305.15091	1.2
320.84482	1.1
321.18497	1.8
372.19595	2.7
374.21243	7.3
384.19562	1.9
388.22855	7.1
390.20148	1.5
392.22214	1.6
398.21051	4.2
402.20346	3.0
412.22580	2.7
414.20050	1.5
416.22250	22.5
418.24377	5.2
420.21576	1.6
426.20663	2.5
430.23917	6.9
432.21411	1.7
434.23169	4.4
444.21692	9.2
448.24930	9.0
450.26306	2.2
458.23090	4.4
461.28842	1.9
462.22729	15.2
466.25775	3.3
476.24399	9.6
479.29648	3.0
480.23743	3.5
490.25702	1.5
494.25473	13.9
497.30661	2.5
508.26749	1.6
512.26715	8.9
522.25061	1.3
536.26440	1.4
540.25299	1.5
584.26459	7.0
602.27600	2.8
616.28711	4.5
634.30090	6.9
644.28589	3.2
662.29156	3.8
676.31116	6.0
694.32166	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	694.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08160	0.8
53.03937	3.1
55.01862	3.2
55.05502	3.1
56.05024	3.0
57.03432	1.4
65.03951	0.9
67.05505	6.3
67.62559	0.8
69.03426	2.6
69.07057	1.5
70.06580	3.8
71.04982	1.2
71.55405	1.1
72.04517	2.1
74.06080	5.4
79.05498	6.2
81.03421	4.7
81.07069	7.2
82.02946	11.5
82.06567	1.9
83.01334	1.3
83.04979	5.7
83.08600	2.1
85.02877	1.4
91.05479	9.5
93.07053	6.5
95.04960	10.2
95.08596	2.7
96.04448	1.1
97.06534	1.8
98.06066	13.8
100.07588	1.3
103.05476	3.9
105.03400	40.5
105.04520	2.9
105.07028	9.5
107.04975	1.5
107.08590	3.9
108.04497	1.9
109.05241	0.8
109.06519	3.0
109.10139	2.8
110.06056	2.3
111.08105	1.1
115.05441	3.8
117.07030	9.2
119.04961	1.1
119.08583	13.0
121.06477	2.0
121.10142	3.0
122.06011	1.8
123.08048	1.7
124.07639	1.0
125.05941	1.0
126.05524	100.0
128.06216	2.5
128.07085	2.5
129.07014	9.0
131.04961	7.0
131.08569	14.0
132.05237	1.7
133.06480	1.5
133.10146	6.1
135.08070	2.0
135.11711	1.4
136.06209	1.4
140.07071	1.1
141.07025	1.7
142.07762	3.4
143.07515	1.1
143.08563	6.9
144.08005	1.5
144.09267	1.9
145.06519	4.2
145.08986	1.5
145.10112	7.1
147.08073	4.5
147.11752	2.0
149.05983	2.6
149.09613	3.9
152.07068	1.7
153.06934	1.4
155.08528	4.2
156.08170	0.9
156.09363	3.3
157.06473	2.3
157.10126	14.6
158.07245	0.9
158.09576	1.7
159.08044	6.8
159.11700	15.7
160.11221	1.3
161.06015	1.3
161.08368	1.3
161.09613	3.1
162.09128	0.9
165.06979	1.9
166.08705	1.3
167.08583	3.7
168.09315	1.5
169.10129	11.5
170.10872	2.3
171.08038	3.6
171.11700	14.0
172.08835	2.3
173.09642	6.3
173.13243	5.6
175.11183	2.3
176.10724	2.7
178.12251	3.3
179.08574	3.0
181.08667	1.0
181.10141	4.4
183.08147	2.0
183.11700	22.4
184.07326	3.0
185.09602	3.6
185.13303	4.5
186.09091	2.6
187.11307	5.6
187.12723	1.4
188.10718	8.0
189.09097	1.5
190.12305	3.1
191.10675	1.6
193.10150	3.9
193.12267	2.5
195.11693	3.5
196.08820	1.2
196.12532	1.3
197.09662	6.6
197.13292	2.5
199.11269	5.4
200.10712	3.3
201.09232	1.1
201.12750	7.2
202.12422	1.1
203.08476	1.2
203.10617	1.1
204.10277	9.6
205.10191	2.6
206.11790	54.5
207.11769	6.3
208.12381	1.5
209.09639	2.3
209.13228	2.9
211.07608	1.0
211.11191	5.0
211.13115	2.0
212.10625	1.3
213.09232	1.2
213.12738	3.2
215.08640	1.2
215.10654	1.1
216.10126	1.4
216.13838	1.1
217.10110	4.0
217.12074	1.7
218.11836	11.9
219.08121	1.1
219.11674	3.4
219.13535	1.1
220.13248	3.4
221.09727	1.7
221.13316	4.8
222.11179	3.3
223.11237	2.0
223.14806	1.6
225.12735	1.3
228.13855	1.0
229.10216	1.5
229.12268	5.2
230.11354	1.6
231.11690	6.4
231.13861	2.8
232.09676	7.2
232.12685	5.7
233.09616	1.8
233.13225	6.8
233.15407	3.5
234.11331	5.1
235.11180	2.1
235.14880	3.6
237.12675	1.4
237.16570	1.0
239.10838	1.1
241.10146	1.3
243.11694	2.3
243.13821	4.0
244.12924	3.0
245.13539	4.0
245.15369	1.6
246.13957	4.1
247.11237	2.3
247.14868	14.9
248.12100	1.6
248.15559	1.9
249.12721	3.0
249.16373	2.8
256.13223	5.8
257.13388	4.1
258.14334	2.7
259.11118	2.1
259.14746	2.8
260.12228	1.8
260.15494	1.4
261.12622	2.5
261.16809	7.2
262.13635	1.1
262.16901	1.1
263.14282	2.6
263.17975	1.2
265.15857	1.6
267.15997	1.8
268.13181	1.8
270.14380	1.1
271.10989	1.2
271.15176	4.1
272.12671	1.1
272.15588	1.2
273.12546	1.3
273.16629	1.2
274.13516	2.5
275.14349	5.6
276.15076	1.4
277.12280	1.0
277.15900	1.5
283.14777	1.3
285.12918	1.2
285.16592	3.1
286.14258	1.5
286.17126	1.6
287.18155	1.3
289.15756	6.7
290.16525	3.2
291.17252	1.3
297.16135	1.0
299.14319	1.6
299.17627	1.1
300.15323	1.0
301.15823	1.5
301.19354	1.1
303.17435	1.5
310.14279	1.6
317.15405	1.5
321.18280	2.2
324.15683	1.1
372.19458	2.6
374.21054	8.0
376.18805	1.8
376.22858	2.3
378.49429	1.0
382.20444	1.2
384.19598	1.4
385.20685	0.9
388.22995	4.8
390.20374	1.9
392.22433	1.2
398.21295	4.7
400.22989	1.9
402.20514	2.1
406.23911	1.5
412.22617	2.5
414.20795	1.7
416.22214	25.0
418.24420	6.7
420.21515	1.2
426.20789	2.6
430.23984	4.4
432.21765	1.6
434.23572	6.1
439.63422	1.1
444.21753	11.1
448.24948	9.6
458.23181	3.4
461.28726	2.5
462.22818	18.3
466.26227	4.5
476.24503	11.7
479.29443	1.2
480.23792	4.4
490.25848	1.7
494.25455	17.7
497.30246	3.3
512.26550	13.1
513.25854	1.1
520.24976	1.4
522.25604	1.1
536.26440	1.2
538.25629	1.6
584.26233	7.3
598.27771	1.1
602.27216	1.7
616.29266	5.8
634.30170	9.5
644.28564	3.1
662.29486	6.0
676.31488	4.9
694.32239	14.1
695.31049	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
55.01864	5.4
57.03432	3.6
63.06331	1.8
67.05503	6.7
69.03424	4.1
69.80646	9.8
69.81043	3.7
79.05478	9.8
81.03421	7.6
81.07050	4.8
85.02891	2.1
91.05476	8.4
93.07058	5.8
95.04967	13.7
95.08588	4.3
98.21539	2.7
103.05454	7.8
105.07030	24.2
107.04946	4.0
107.08601	2.6
109.06499	7.3
115.05461	5.4
117.06961	3.8
119.04932	3.6
119.08547	9.6
121.02819	3.8
121.06519	7.5
123.08085	3.8
128.06261	3.6
129.06985	7.3
130.07837	1.9
131.04956	15.0
131.08575	10.9
132.05228	4.9
133.06496	22.3
133.10153	3.0
135.04396	4.6
135.08034	5.9
137.05981	5.8
141.06982	4.2
142.07784	3.1
143.08559	10.6
145.06479	17.6
145.10141	9.2
147.08052	6.8
149.06000	7.1
149.09509	2.1
151.07523	4.7
153.06938	2.0
155.08505	3.9
156.09395	3.2
157.06467	5.0
157.10127	8.3
158.07262	3.0
159.08046	12.8
159.11743	4.8
161.05981	45.0
161.09625	2.3
163.07529	9.7
166.07738	2.3
167.08498	2.9
169.06447	3.1
169.10127	8.4
171.08040	9.0
171.11664	13.0
172.08832	4.0
173.06078	3.1
173.09610	8.2
173.13193	4.4
175.07550	3.8
179.07022	13.3
181.06497	2.4
181.10124	5.5
183.08023	4.6
183.11708	4.9
184.08827	4.3
185.06024	6.7
185.09589	11.3
186.06697	2.1
187.07544	8.1
187.11201	6.6
189.05388	2.4
189.09174	6.1
193.10132	2.2
197.09688	12.3
199.07535	9.0
199.11137	21.3
200.08386	2.2
200.11922	3.4
201.09154	6.0
201.12721	29.1
203.07008	3.4
203.10817	2.3
207.11812	2.2
209.09666	10.1
211.11185	3.4
213.05478	6.5
213.09189	9.9
213.12775	3.1
215.07118	2.8
215.10669	5.6
217.08615	7.8
221.09828	2.2
223.07524	2.8
223.11296	3.7
225.09099	11.5
225.12782	2.3
226.09790	2.4
227.07291	2.3
227.10643	34.5
229.08598	3.3
229.12289	2.9
230.05769	3.3
237.09204	3.7
237.12756	2.6
239.10533	3.3
241.12254	4.8
243.06635	2.5
243.10141	6.6
245.08087	80.2
245.11743	3.9
253.08618	4.7
253.12282	2.8
255.10098	5.4
255.13841	4.6
257.08139	4.9
257.11679	8.2
259.13327	4.3
271.09848	2.8
285.11188	3.9
287.09662	2.6
287.12790	44.3
319.15579	13.9
329.13919	15.2
332.13870	2.3
341.15207	2.1
342.14532	3.7
357.13412	3.4
359.15851	3.5
375.15881	3.3
387.14410	19.1
388.15094	20.2
389.15967	100.0
405.15811	6.0
419.18860	2.8
421.18546	14.6
447.18170	17.4
453.19177	3.3
465.19141	15.7
481.22083	8.5
483.19919	5.9
489.19119	2.7
501.07037	2.4
507.20279	17.4
539.22681	3.2
549.21222	31.6
555.22095	11.5
567.22296	43.9
585.23291	17.9
617.25836	8.5
632.59558	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.8
51.02379	1.6
53.03950	8.0
55.01872	0.4
55.05505	0.9
58.45125	0.3
60.53356	0.3
67.05492	1.6
69.07061	0.7
71.05003	0.4
75.72682	0.3
77.03920	2.0
79.05497	0.7
81.03424	0.9
81.07043	1.5
83.04965	0.3
83.08627	0.8
91.05490	1.0
93.07043	1.9
95.04974	8.0
95.08617	1.7
97.06554	0.4
98.21568	0.5
99.04448	0.4
105.03398	100.0
105.04543	4.0
105.07005	1.7
106.03741	0.7
107.08585	1.5
107.22680	0.3
109.10155	1.6
111.08109	0.7
117.07016	0.7
119.08575	2.0
121.10118	1.6
123.08067	0.6
127.91499	0.3
129.06952	0.4
131.08571	1.3
133.10121	3.1
135.11731	0.5
139.07573	3.9
142.07799	0.5
143.08577	1.2
145.10146	2.2
147.08131	0.3
147.11714	0.9
149.13304	0.4
155.08562	0.9
156.09360	0.4
157.10138	2.2
158.10927	0.5
159.11714	2.5
161.09543	0.4
161.13272	0.8
167.08662	0.4
169.10176	0.9
170.10960	0.9
171.11748	2.1
173.13277	2.4
175.14851	0.6
181.10103	0.6
183.11667	1.5
184.12498	0.5
185.13246	2.5
187.14844	1.7
195.11742	0.8
197.13268	2.1
199.14853	5.0
201.16426	1.3
207.11691	0.6
209.13269	0.6
211.14868	1.1
213.12738	0.4
213.16409	0.6
221.13162	0.4
223.14899	1.1
224.15668	0.3
225.16408	1.1
227.17854	0.4
233.13281	0.4
235.14876	0.7
237.16414	1.1
239.18024	1.1
240.18729	0.3
243.40001	0.3
247.14929	0.5
249.16359	0.8
250.17151	0.4
251.18001	1.0
253.19360	0.4
263.17947	0.6
265.19562	0.7
267.21063	0.4
277.19443	0.6
278.20337	0.4
279.21112	4.4
280.21609	0.4
283.66574	0.3
291.21161	0.7
293.22610	6.2
294.23468	3.5
295.20993	0.3
295.24039	1.8
297.68976	0.3
363.23206	1.2
377.25031	0.4
391.26324	0.8
415.30029	2.0
433.31061	58.3
434.31442	2.2
451.32196	3.2
493.32803	0.4
517.29724	0.4
537.33594	1.0
553.35315	0.6
555.34717	2.3
638.50531	0.3
693.40314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.2
51.61937	1.0
53.03943	4.8
54.74249	1.0
55.01874	2.4
55.05508	3.2
59.80059	1.0
67.05505	3.7
69.07066	1.8
69.21745	10.5
79.05489	5.0
81.03398	3.8
81.07051	4.9
83.04998	5.1
87.79163	1.0
91.05489	12.0
93.03463	1.2
93.07045	7.6
95.04991	7.4
95.08607	4.3
97.06523	1.1
103.05478	46.5
103.99448	1.0
105.03400	29.8
105.04520	2.6
105.07030	13.5
107.04955	1.3
107.08595	7.2
109.06521	2.6
111.04423	1.7
115.05460	3.4
117.07028	6.9
119.05001	1.2
119.08593	14.9
121.06499	2.9
121.10187	5.1
121.10920	1.0
123.08103	1.1
128.06206	3.3
129.07010	4.6
131.04933	100.0
131.08591	10.2
133.06499	3.9
133.10141	16.7
135.08067	3.8
135.11671	1.3
141.07010	3.3
142.07784	4.4
143.08565	9.4
144.09351	1.8
145.06491	6.5
145.10104	8.7
147.08061	7.0
147.11751	1.7
149.05948	1.3
149.09615	4.0
153.07053	1.7
154.07745	1.5
155.08566	5.6
156.09389	5.6
157.06517	1.3
157.10126	11.0
159.08080	6.4
159.11699	6.6
161.06027	5.3
161.09644	5.6
163.07556	4.9
163.11147	1.3
165.06946	2.3
166.07765	1.7
167.08604	2.9
168.09325	1.6
169.10133	11.8
170.10915	4.1
171.08049	3.8
171.11679	14.5
172.08852	1.4
173.05923	1.6
173.09676	6.8
173.13252	3.7
175.07590	2.0
175.11171	1.2
177.09135	2.2
178.07806	1.4
179.08507	2.2
180.09296	2.9
181.10153	6.0
182.07344	1.1
182.10934	3.0
183.08072	3.2
183.11699	10.9
184.08774	1.8
185.09587	5.6
185.13292	7.3
186.10371	1.5
187.07556	4.9
187.11162	3.0
187.14772	1.7
189.05438	1.7
189.09132	2.2
189.12656	1.7
191.06981	1.9
192.09305	3.0
193.10217	5.0
194.10910	2.1
195.08055	1.8
195.11691	7.6
197.09628	4.8
197.13277	5.1
198.10426	2.2
199.07707	1.5
199.11169	8.8
200.12003	3.2
201.09143	2.1
201.12726	3.1
203.08664	1.4
203.10551	1.5
205.10242	2.6
205.12242	1.4
206.10828	3.2
207.11726	7.3
208.12361	2.9
209.09555	1.4
209.13316	3.6
211.11203	5.8
213.09171	1.9
213.12727	11.8
215.08551	1.2
215.10933	1.4
215.14365	3.0
216.09303	1.9
217.08487	2.1
217.10300	2.1
218.10880	1.3
219.11725	3.0
220.12521	2.2
221.09625	1.8
221.13266	6.6
223.11192	3.4
223.14734	2.0
224.11845	1.2
225.09094	1.6
225.12779	4.8
227.10710	3.6
229.10135	2.2
229.12262	2.7
230.10880	2.4
231.11760	3.3
232.12465	3.5
233.09671	2.3
233.13226	4.5
235.11237	2.8
235.14827	3.2
237.12764	2.5
237.16379	1.3
239.10654	1.7
239.14407	1.8
241.12399	1.8
242.11044	1.7
243.11713	2.9
243.13852	8.3
244.12544	4.0
245.13234	4.1
245.15479	1.3
246.13992	2.9
247.11314	1.9
247.14795	5.9
248.15594	1.6
249.12794	3.2
249.16393	3.6
250.13562	1.9
251.06987	1.5
251.14268	2.4
251.18004	1.4
253.12350	1.2
254.11002	1.4
255.11746	2.2
256.12479	1.7
257.13257	3.8
258.14160	2.5
259.11005	1.6
259.14899	4.2
260.15729	1.7
261.12708	2.5
261.16357	3.5
263.14322	2.1
269.13177	3.0
270.14078	1.4
271.09735	1.5
271.14789	3.7
272.15594	1.5
273.12726	1.3
273.16309	3.5
274.13516	1.9
274.16962	1.3
275.14322	2.2
275.17923	2.8
276.18781	1.4
277.12460	1.4
277.15924	2.2
283.14810	1.9
285.13257	1.6
285.16422	3.6
286.13492	1.8
286.16934	1.8
287.14349	2.9
287.17905	1.9
289.15869	3.0
291.13623	1.1
291.17511	2.0
293.18994	2.3
297.12933	2.1
297.16461	1.4
298.17255	1.5
299.14111	1.2
299.17856	1.7
301.15857	2.5
303.14081	2.7
303.17404	5.6
304.18222	2.8
311.14288	2.1
312.14890	1.3
315.13953	1.5
315.17340	2.4
317.15195	1.5
321.18488	3.4
326.16965	1.3
329.15289	4.7
329.18747	1.9
330.16345	1.4
331.16830	2.1
331.20615	2.1
333.18417	1.8
339.13663	1.4
341.19073	3.2
343.16776	3.4
344.17783	1.7
345.18506	4.8
347.16281	1.8
353.26431	1.3
357.18570	10.8
359.16287	1.3
359.20074	8.9
361.18372	2.3
369.18417	12.9
372.17114	1.5
375.19531	3.4
377.21194	4.9
387.19562	30.1
405.20654	28.9
423.21753	8.2
433.19968	1.6
527.24152	5.2
545.25262	4.4
693.30347	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	693.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.2
55.01874	14.0
55.05513	8.8
66.84548	2.5
67.05509	9.2
71.04987	2.6
71.19762	4.9
73.56325	2.3
74.09722	3.3
75.18961	2.5
79.05500	9.7
81.03419	11.6
81.07060	5.4
83.04985	8.2
91.05495	27.4
93.07046	11.0
95.04973	14.8
95.08619	9.0
103.05487	44.7
105.03404	37.1
105.04501	3.0
105.07034	23.8
107.04997	5.9
107.08633	12.0
109.06530	6.6
109.10162	4.8
115.05480	11.5
116.06187	2.7
117.07021	16.2
119.08594	25.2
121.06514	7.1
121.10133	7.2
123.07897	3.0
128.06248	5.2
129.07042	15.9
131.04939	100.0
131.08595	17.4
133.10143	31.0
135.08089	7.4
141.07004	5.6
142.07819	7.2
142.16193	2.3
143.08636	15.5
143.09540	2.8
143.78502	2.5
145.06473	14.9
145.10146	13.5
147.08054	64.0
147.11734	3.4
148.14183	2.3
149.09644	11.0
153.06999	3.6
155.08597	9.5
156.09378	10.5
157.06459	3.4
157.10159	20.9
159.08047	20.9
159.11717	14.7
161.09657	28.7
163.07542	21.9
168.09291	3.1
169.10143	11.3
170.10912	6.8
171.08064	8.1
171.11725	49.4
173.05963	3.6
173.09641	17.1
173.13266	4.8
175.07564	8.8
175.11220	6.6
179.08546	5.5
181.10204	4.5
182.10957	2.8
183.11700	30.0
185.09729	12.6
185.13240	21.5
187.11220	11.2
193.10147	2.7
195.11647	4.1
197.09615	4.7
197.13307	8.4
199.11215	10.3
200.11945	3.4
201.09148	5.0
201.12804	5.0
203.10683	6.8
206.10928	2.6
207.11720	4.8
208.55104	2.6
209.09738	2.7
209.13190	3.0
211.11185	4.2
213.12756	24.2
215.10466	3.0
217.12251	4.0
221.13234	3.3
225.12888	3.4
227.10680	4.8
229.12274	6.4
231.13785	33.6
241.12251	15.0
244.12534	2.6
245.11813	9.2
249.14795	3.5
259.13263	26.2
261.12744	3.8
273.12949	4.6
273.16251	3.5
277.14355	2.6
285.12787	3.3
287.14313	3.4
289.15747	3.4
311.14413	3.8
312.14969	4.4
313.15985	5.4
315.17743	3.4
317.19031	4.8
327.17593	8.1
328.18149	3.4
331.16907	2.8
333.18549	4.4
341.19098	4.1
345.18655	6.3
359.20108	6.3
359.58984	2.7
375.19852	6.3
377.21088	11.2
387.19537	27.9
393.20786	6.1
405.20627	42.4
423.21582	10.8
433.31094	3.4
571.26422	3.2
613.57343	2.4
693.31805	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	693.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84823	0.8
53.03935	3.3
55.01871	3.9
55.05508	2.7
56.10594	0.7
57.07074	1.0
60.86572	0.7
61.55503	0.7
67.05495	2.4
68.05825	0.7
69.03440	1.2
69.07069	1.2
79.05493	3.1
80.63600	0.9
81.03401	2.6
81.07039	2.3
83.04964	3.0
91.05474	9.2
93.07045	3.0
95.04989	5.4
95.08613	1.9
97.06557	1.0
103.05474	46.7
105.03393	17.3
105.07041	6.9
107.04968	2.0
107.08601	2.3
109.06516	1.8
109.10131	0.9
115.05445	2.5
117.07024	5.8
119.04970	1.2
119.08585	6.5
121.06499	1.1
121.10134	2.2
123.08120	1.0
128.06201	2.6
129.07031	3.9
131.04936	100.0
131.08557	6.4
133.06409	1.6
133.10135	6.0
135.07997	1.9
137.09610	0.9
141.07034	1.9
142.07779	2.4
143.08578	5.1
145.06516	4.9
145.10118	4.4
147.08060	20.2
147.11647	1.1
149.09613	2.5
154.07895	0.9
155.08572	2.8
156.09329	2.9
156.10812	0.7
157.10141	9.3
158.07365	1.1
159.08063	16.8
159.11678	4.3
161.09648	10.5
163.07542	2.4
163.11237	0.9
169.10135	2.9
170.10909	1.6
171.08012	3.8
171.11711	13.1
173.05942	2.0
173.09630	5.5
173.13246	2.3
175.07545	2.8
175.11206	1.3
178.45291	0.8
179.10667	1.7
181.10228	1.4
183.08060	1.6
183.11711	7.8
185.09662	4.2
185.13246	6.4
187.07503	2.1
187.11200	1.4
189.09111	1.5
189.12785	1.0
191.10638	1.1
193.10139	2.0
195.11668	2.7
197.09674	2.1
197.13280	2.1
199.11186	6.0
200.11815	0.9
201.12859	1.0
203.10681	0.8
205.12164	1.0
206.10928	1.2
207.11707	1.5
211.11221	2.0
213.12770	6.8
215.10645	1.9
217.08641	2.1
217.12253	2.8
218.10936	1.2
219.13759	1.9
221.13313	1.7
225.09082	1.1
229.12282	2.7
231.11856	1.4
231.13768	5.6
233.13463	1.1
234.14011	0.9
235.14754	1.5
237.12750	2.0
239.10674	1.1
241.12227	1.6
243.11597	1.3
243.13876	1.2
244.12495	1.1
245.11693	2.5
247.11188	1.2
247.13243	1.0
249.12703	1.0
249.14864	1.9
257.13336	0.9
258.13986	1.5
259.13229	6.7
261.12775	1.5
263.14337	1.2
263.17395	0.8
269.13199	1.0
272.12103	0.8
272.15500	0.8
273.12686	1.4
273.16431	0.9
274.13409	1.0
277.14404	3.0
284.11697	1.0
285.12701	1.5
287.14468	1.9
289.12195	1.2
289.15704	1.3
291.18005	1.0
297.12830	1.0
298.13574	0.9
299.14273	1.7
301.15930	2.7
303.13727	1.0
303.17340	1.1
305.15277	1.0
311.14288	1.2
313.15698	1.2
315.17334	1.8
317.18958	1.8
327.17514	2.3
329.14951	1.0
329.18924	1.1
331.20398	1.3
341.18994	1.3
345.18466	1.9
357.18439	1.5
359.20154	2.1
363.15665	1.2
363.19797	1.0
369.18610	1.2
375.19379	4.4
377.21179	3.6
387.19672	7.4
399.54562	0.8
405.20590	13.7
419.18524	1.1
423.21741	11.9
433.30737	2.6
469.22250	2.2
527.24347	1.3
545.25537	7.2
553.25879	1.0
571.27368	1.1
665.26605	0.9
675.28857	2.5
693.30499	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	693.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.05517	4.7
56.05846	0.7
57.03431	0.7
61.02928	1.1
62.03547	0.6
63.03289	0.6
63.67084	0.6
65.03923	0.9
67.05508	9.6
68.05870	1.4
68.99750	0.7
69.03421	2.0
69.07077	2.7
71.04990	1.1
71.55315	1.1
72.95553	0.6
75.74226	0.6
77.03934	0.9
79.05499	4.9
80.05833	1.0
81.03412	2.8
81.07074	7.8
82.07392	1.2
83.04996	3.4
83.08641	1.5
85.02914	1.7
91.05489	6.1
92.05791	1.1
93.07040	5.3
94.07384	0.7
95.04988	6.2
95.08624	3.9
97.02884	0.6
97.06531	1.7
97.10170	1.2
100.12666	0.8
103.05479	55.4
104.05784	0.7
105.03400	3.1
105.04522	1.5
105.07045	5.7
107.04936	1.3
107.08611	5.3
108.09000	0.7
109.06517	3.0
109.10154	3.7
110.10477	0.8
111.08117	0.9
117.07013	2.2
119.04938	1.0
119.08591	8.9
121.06497	0.7
121.10167	2.2
123.08053	3.6
125.09692	0.8
128.06157	0.9
129.05458	0.8
129.07048	1.3
131.04939	100.0
131.08556	3.4
132.05260	1.3
132.08932	1.0
133.06499	2.1
133.10156	4.5
134.10504	0.7
135.08076	1.9
135.11714	1.4
141.07098	0.7
142.07722	1.0
143.08582	4.0
145.06473	1.1
145.10162	3.4
145.17793	0.6
147.08064	2.6
147.11795	0.8
149.06003	1.5
149.09641	1.9
149.13243	1.1
151.07513	0.7
155.08591	2.8
156.09351	2.1
157.10155	7.1
158.10641	0.7
159.08107	2.4
159.11681	4.1
161.06023	0.9
161.09657	1.8
163.11214	0.9
167.08672	1.0
168.09351	1.2
169.10143	4.0
170.10957	3.3
171.08093	1.6
171.11710	4.8
172.12119	0.7
173.09641	2.5
175.11070	0.9
179.07114	1.4
179.08577	1.7
180.09322	1.0
181.10141	2.6
183.08000	1.0
183.11714	14.2
184.12436	2.3
185.09679	1.6
185.13254	3.6
186.10333	0.7
186.13570	0.8
187.11168	1.4
189.09111	1.0
191.10672	0.9
192.09386	0.8
193.10170	4.4
194.10855	1.9
195.11725	3.8
195.13809	0.8
196.08948	0.9
196.12405	0.9
196.14249	1.1
197.09714	2.0
197.13326	1.5
198.10376	0.9
199.07501	1.0
199.11249	1.8
201.12715	1.9
203.08601	0.8
203.10791	0.8
205.10168	1.2
206.10933	2.7
207.11720	5.6
208.12488	3.8
209.09708	1.2
209.11775	0.7
209.13350	6.0
210.10303	0.9
211.11221	2.9
212.11919	0.8
213.09149	1.8
213.12756	2.7
216.09419	0.9
217.10287	1.5
217.12242	1.1
218.10966	1.1
219.11761	1.5
220.12550	2.2
221.13274	5.3
222.14014	2.5
223.11217	2.3
223.14813	4.1
224.15640	3.7
225.12827	2.0
227.10667	1.2
229.10263	1.3
229.12340	1.4
229.14398	4.0
230.10864	1.5
230.14624	1.6
231.11743	3.4
231.13693	0.9
232.12485	3.3
233.13284	2.3
234.10425	1.1
234.14040	1.3
235.11176	1.5
235.14865	4.2
236.15555	0.9
237.12799	2.4
237.16417	4.2
239.14307	0.9
243.11769	1.7
243.13947	1.2
244.12488	2.2
245.13350	3.5
246.14046	3.5
247.11143	1.4
247.14958	3.5
248.11800	1.4
248.15636	0.8
249.12830	2.0
249.16457	2.0
251.10812	0.8
251.14281	2.6
253.15965	0.9
257.13452	1.8
258.14148	2.4
259.11243	0.7
259.14987	3.3
260.11884	1.3
260.15448	1.0
261.12729	1.6
261.16592	3.6
262.13498	1.0
263.14371	3.1
263.17978	2.0
265.15939	5.9
267.13782	1.5
269.13287	1.1
269.17484	3.4
270.17865	3.5
271.10913	0.9
271.14923	1.2
272.11993	1.4
273.12683	1.7
273.16464	2.9
274.13382	0.8
275.14282	1.3
275.18036	1.5
277.15942	2.4
279.13947	1.3
279.17493	4.5
281.15350	1.7
284.15668	0.8
285.16104	0.9
286.13461	0.9
287.14374	2.2
289.15881	2.9
291.13864	2.2
291.17526	2.0
293.15466	2.4
295.13818	0.7
295.16959	2.6
301.16074	3.3
302.16513	0.8
303.17447	1.2
305.15225	1.3
307.17035	5.4
313.14755	1.1
315.17398	1.6
316.14734	0.8
317.15466	1.1
317.19052	1.7
319.16983	3.0
321.14905	0.9
321.18454	1.4
323.16568	1.0
325.17996	1.7
329.15384	2.4
331.16998	1.0
333.18347	1.6
335.16455	3.2
337.17987	4.9
339.15808	1.0
339.19522	1.0
341.13895	1.0
343.16888	1.9
347.16464	2.7
349.14435	1.0
351.15848	1.0
353.17575	1.6
361.18008	6.2
363.15683	1.7
363.19733	1.4
365.17499	12.8
367.15408	5.2
367.19193	1.1
371.16476	1.2
373.17819	0.9
379.19135	16.1
381.16959	2.1
389.17279	4.9
393.16830	2.1
397.20300	1.1
407.18549	18.9
409.16257	0.9
417.17191	0.8
421.19882	2.9
423.17825	1.2
423.27267	1.4
424.27789	3.0
425.19522	11.4
426.20566	0.8
434.20798	0.7
435.18143	3.1
439.21021	1.3
441.19141	1.5
449.19409	0.8
453.19290	2.7
467.20749	4.1
485.21799	2.7
495.29477	2.0
496.29968	4.2
514.30823	1.3
536.19702	1.0
545.23840	1.4
593.27435	2.1
629.87384	0.8
693.28229	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	693.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01617	1.4
51.02371	1.8
53.03951	8.4
55.05516	4.3
65.03957	1.8
67.05497	4.2
69.03432	2.3
69.07089	1.5
76.92933	1.4
77.03944	1.7
79.05485	5.3
81.03413	5.1
81.07061	5.5
83.04977	3.8
83.08658	2.3
91.05495	13.1
93.07036	7.2
95.04986	12.8
95.08596	3.0
103.05482	4.7
105.03403	100.0
105.04543	4.6
105.07042	22.6
106.03753	1.7
107.04951	2.7
107.08577	5.2
109.06492	2.6
109.10174	2.1
115.05463	4.6
117.07045	11.5
119.04962	2.6
119.08583	18.8
121.06547	3.1
121.10136	2.9
123.08135	2.3
125.02348	2.2
128.06223	4.7
129.07025	6.3
130.07770	1.7
131.04901	6.2
131.08586	10.2
133.06496	9.4
133.10162	12.1
135.08040	5.4
141.07008	4.3
142.07748	4.9
143.05002	1.5
143.08577	14.7
145.06493	6.8
145.10136	13.2
147.08028	8.9
149.05962	2.3
149.09625	4.7
151.07553	1.8
154.07765	3.4
154.19646	1.3
155.08615	7.3
156.09384	10.8
157.06557	2.3
157.10141	21.3
159.04379	2.5
159.08075	5.9
159.11629	2.4
161.05971	13.6
161.09612	6.7
163.07564	4.1
163.11201	4.6
165.07063	5.0
165.09097	2.0
167.08580	4.4
168.09384	2.6
169.10129	15.2
170.10936	9.5
171.08057	6.0
171.11702	40.3
171.13158	2.8
172.14037	1.5
173.05894	3.6
173.09653	9.7
173.13307	2.6
175.07555	7.8
175.11203	1.6
177.05415	3.2
177.09126	2.7
179.07040	3.3
179.08533	3.1
181.10138	5.5
182.10933	2.3
183.08047	5.2
183.11725	28.8
183.13396	2.0
184.12439	2.3
185.09740	7.3
185.13271	31.3
187.07591	2.3
187.11189	5.3
189.05461	4.6
189.09047	1.9
191.10643	2.0
193.08536	1.7
193.10129	4.8
194.10931	2.2
194.72148	1.5
195.07990	2.2
195.11690	7.4
197.09657	6.3
197.13239	8.7
198.10448	3.6
199.07602	2.4
199.11205	14.5
201.09091	4.2
201.12770	4.8
203.06972	2.2
203.08720	2.0
203.10661	2.1
205.10258	2.7
205.12175	4.2
206.10912	2.5
207.11722	6.1
209.09644	2.6
209.13258	3.3
211.11250	9.6
213.09222	2.0
213.12749	28.5
216.09329	2.7
217.10271	3.1
217.12193	2.5
219.11722	4.5
220.12587	2.8
221.13293	5.5
222.10352	1.5
222.13998	1.9
223.11119	4.0
225.12631	2.8
227.10664	4.1
229.12282	3.6
230.10896	2.7
231.11754	4.7
231.13818	2.9
232.12494	2.2
233.13271	3.9
234.13847	1.9
235.11160	2.2
235.14842	2.4
237.12677	3.4
238.13400	1.9
239.10739	2.8
241.12268	5.8
242.10735	2.6
243.11612	4.3
243.13861	7.5
244.12460	3.6
245.13359	3.3
245.15428	24.8
246.14108	2.0
247.11255	2.3
247.14893	3.6
249.12659	2.9
251.10548	2.2
255.11598	2.4
255.13828	5.6
256.12415	3.1
257.13327	7.5
258.13989	3.0
259.11160	1.7
259.14893	5.5
260.15610	2.6
261.12711	3.1
261.16495	2.4
265.12329	3.2
267.11691	2.5
268.12515	2.6
269.13242	5.1
270.13931	4.6
271.14874	4.0
272.15375	2.1
273.12347	2.2
273.14801	12.3
275.14124	2.2
277.12305	2.2
281.13016	1.9
282.13882	2.2
283.11249	2.9
283.14697	2.8
284.12396	1.7
284.15671	3.4
285.12888	3.2
285.16312	6.0
287.14328	3.7
287.17856	2.9
289.14697	2.1
297.12769	5.3
297.16443	2.6
299.10709	1.7
299.14191	3.3
299.17752	3.2
301.12326	2.0
301.15976	2.3
303.13779	3.2
303.17197	2.5
305.15433	2.0
312.14758	2.9
313.12286	3.0
313.15918	5.1
315.13593	5.2
315.17355	4.5
317.15457	2.9
317.19022	2.3
319.16907	2.7
326.12991	1.8
327.13959	1.9
327.17511	5.7
329.15356	2.9
329.18854	1.9
330.16406	2.2
331.16995	9.2
340.14719	2.1
341.15442	8.0
342.15900	1.8
343.13303	2.3
343.16895	3.2
345.14722	2.3
345.18457	7.6
347.16504	3.2
349.18005	4.0
355.17044	9.4
357.14746	2.0
358.15695	1.9
359.16379	12.8
360.16797	1.7
361.14224	2.8
361.18152	3.6
363.19601	2.9
363.41464	1.5
371.16467	1.9
373.18030	19.9
377.17422	7.5
378.17834	1.7
383.16376	7.7
387.19547	2.2
389.17154	2.7
391.19138	7.1
401.17563	22.1
403.18811	2.1
405.20535	6.3
413.75827	1.6
415.19086	10.2
419.18546	14.9
421.20114	3.4
423.21646	4.9
433.20166	23.7
451.21280	24.5
469.22394	2.4
478.28949	2.5
479.20593	4.3
493.21927	3.5
496.29919	2.2
511.23001	7.9
640.34326	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.0
53.03936	3.0
55.01860	1.5
55.05500	3.5
59.15643	0.8
64.20100	0.7
65.03923	1.8
67.05502	4.2
69.03416	1.5
69.07056	1.0
74.95608	0.8
77.03927	1.9
79.05488	6.2
81.03423	2.4
81.07050	3.8
83.04973	4.4
85.02893	1.1
85.06561	1.2
91.05485	11.0
93.07035	6.7
95.04971	12.1
95.08594	3.5
95.77798	0.8
97.06505	2.3
98.21468	1.6
103.05470	56.6
105.03394	17.9
105.04492	1.9
105.07029	18.3
107.04936	2.4
107.08596	5.9
109.06532	2.8
109.10152	0.9
111.04452	1.0
113.97254	0.9
115.05464	2.4
116.06204	1.0
117.07030	6.8
119.04935	1.6
119.08588	21.5
121.06496	3.3
121.10146	2.2
125.05978	1.1
125.09634	1.1
128.06215	2.2
129.07010	3.8
131.04929	100.0
131.08553	9.1
132.05280	1.3
133.06500	10.1
133.10127	6.8
135.08055	3.0
135.11717	1.1
137.05959	1.4
141.07068	1.5
142.07774	3.7
142.23163	0.9
143.08556	8.3
144.09293	1.5
145.06468	4.7
145.10136	7.0
147.04468	1.0
147.08034	7.3
147.11691	1.6
149.05989	2.3
149.09650	5.9
152.06265	1.0
153.07028	1.2
155.08525	5.1
156.09335	4.2
157.06471	1.5
157.10143	16.7
159.04388	1.6
159.08028	7.2
159.11699	14.2
161.05989	11.3
161.09605	3.9
163.07558	3.5
163.11143	1.0
165.06999	2.6
166.07852	1.1
167.08562	2.8
168.09346	2.3
169.06450	1.0
169.10152	10.3
170.10876	4.1
171.08052	3.1
171.11694	19.8
173.06012	3.8
173.09645	5.3
173.13272	4.4
175.07625	4.7
175.08846	0.9
175.11176	1.8
177.05482	3.6
177.09084	9.4
179.07010	2.3
179.08551	2.5
181.10162	3.7
183.08148	2.4
183.11693	29.1
183.13226	1.7
184.08844	0.9
184.12288	1.5
185.09622	6.1
185.13235	8.7
186.10370	1.4
187.07562	3.3
187.11183	6.0
189.05499	5.4
189.09047	2.2
191.07039	1.1
191.10594	1.1
192.09300	1.4
193.08575	1.4
193.10132	5.1
193.12076	1.5
194.10934	2.9
195.11754	5.5
197.09570	4.4
197.13222	2.4
198.10364	1.2
199.07492	1.2
199.11130	6.8
201.09132	2.4
201.12718	4.9
203.08751	1.0
203.10602	2.0
204.09288	1.4
205.10153	2.0
205.12027	1.6
206.10896	2.2
207.06421	1.0
207.11719	7.2
208.12419	3.3
209.09604	2.8
209.13232	2.9
211.07727	0.9
211.11171	6.6
213.09068	2.8
213.12680	4.6
215.08740	1.2
215.10683	2.3
216.09367	1.5
217.10162	2.7
217.12199	2.0
218.10950	1.5
219.11667	3.4
219.13641	1.3
220.12479	2.8
221.09648	2.1
221.13339	5.8
222.10416	1.0
223.11188	3.8
223.14754	3.5
225.09027	1.0
225.12778	2.2
227.10635	1.6
229.10161	2.1
229.12241	5.4
230.10910	2.7
231.11671	5.8
231.13791	2.3
232.12442	2.4
233.09641	2.1
233.13264	3.6
233.15408	2.9
234.10417	1.5
234.14032	1.2
235.11134	3.1
235.14943	2.1
236.11760	1.7
237.09099	1.2
237.12723	3.2
239.10649	1.7
239.14183	1.2
241.10141	1.2
241.12306	2.0
242.10765	1.2
243.11661	5.9
243.13863	3.7
244.12411	3.7
245.13550	5.2
245.15427	2.9
246.10486	1.3
246.14018	1.8
247.11284	1.3
247.14992	1.7
248.15700	1.3
249.12811	1.7
251.10742	1.7
251.14307	4.3
253.10118	1.4
253.12357	1.3
254.10933	1.2
255.11897	1.5
255.13930	1.1
256.12430	2.8
257.13437	4.6
258.13983	5.1
259.11151	2.3
259.15106	4.5
260.11841	1.5
261.12604	2.3
261.14594	1.9
261.16769	1.3
263.14252	1.3
265.12128	1.6
267.11624	1.9
268.12378	1.9
269.03400	0.9
269.13113	2.6
270.13864	1.3
271.11060	1.8
271.14859	2.4
272.12064	1.1
272.15533	2.0
273.12634	2.6
273.16788	4.8
275.14294	1.6
275.17972	1.3
277.12247	1.2
279.13687	2.4
282.14050	2.3
283.10803	1.0
283.14761	3.4
284.15643	2.5
285.12790	4.1
285.16373	2.4
286.13467	3.1
286.16809	1.1
287.10895	1.4
287.14279	3.1
287.17957	2.4
289.11816	1.4
289.16080	1.3
291.13867	1.1
291.17477	1.5
295.13425	1.8
296.11929	1.2
297.12823	1.4
297.16302	2.4
299.10629	1.6
299.14288	2.2
299.17810	1.0
300.15067	1.6
301.12424	1.4
301.15851	5.1
302.16571	1.4
303.13681	2.3
303.17413	2.3
305.15366	1.3
310.13324	1.3
311.13965	1.2
313.12106	1.8
313.15817	1.7
314.12906	2.0
315.14035	1.1
315.17432	5.8
317.15283	2.3
319.13425	1.7
319.16895	5.1
321.14893	1.9
321.18341	1.0
325.15729	2.0
328.14560	2.1
329.15448	8.0
330.16190	1.4
331.16815	4.2
333.18417	3.5
335.16449	2.0
343.16974	14.0
345.14752	1.9
345.18484	2.1
347.16434	14.2
349.14352	6.0
349.18121	1.6
351.19611	2.0
357.14822	1.6
359.16440	1.4
361.13635	1.1
361.18027	18.2
363.15887	2.7
363.19934	1.4
365.17490	5.4
371.16483	10.1
373.18185	2.0
375.15720	2.5
375.19824	1.7
377.17407	2.0
379.19101	4.3
389.17438	18.6
391.14819	1.3
391.19128	1.5
393.20557	2.7
399.15759	2.0
401.17139	1.6
403.19040	11.4
405.21002	2.0
407.13708	1.2
407.18579	11.6
417.16870	5.6
419.18454	1.7
421.20108	13.3
423.17606	1.5
423.22540	1.1
431.18600	3.1
433.19925	2.5
435.17957	4.1
439.21072	7.9
449.19717	9.3
451.20941	3.1
453.19025	2.7
467.20691	9.6
478.28867	2.6
485.21527	4.9
496.29776	2.3
545.23999	1.9
615.25543	1.2
622.33325	1.2
682.91132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2907
Annotation	Torreyanic acid
Peak:m/z	Relative Intensity
51.02381	2.1
52.11554	1.6
53.03945	9.1
53.35895	1.4
55.01868	2.5
55.05507	2.8
55.97549	1.5
62.36527	1.4
67.05497	3.4
69.07048	2.0
77.03940	3.3
79.05490	3.7
81.03412	2.1
81.07049	3.9
83.04993	2.5
91.05490	15.3
93.07032	5.4
95.04985	10.9
95.08582	5.2
103.05467	7.0
103.44267	1.5
105.03403	100.0
105.04520	4.6
105.07040	21.5
106.03694	2.5
106.99657	1.4
107.04916	1.6
107.08598	4.9
109.06546	2.3
115.05457	6.9
116.06226	1.9
117.07032	11.8
119.04987	1.8
119.08599	17.1
120.39622	1.5
121.06480	1.8
121.10108	3.4
123.08012	1.8
128.06204	6.5
129.06989	7.5
130.07750	2.0
130.94307	1.6
131.04950	7.8
131.08585	9.9
133.06499	12.1
133.10149	11.2
135.08043	3.6
141.06956	2.4
142.07784	6.2
143.08553	9.6
145.06488	7.1
145.10135	11.0
147.08067	10.2
149.05984	2.4
149.09639	3.6
153.07034	2.1
154.07724	1.8
155.08571	8.7
156.09393	10.7
157.06551	1.7
157.10150	20.7
159.04375	1.7
159.08044	7.3
159.11681	3.4
161.06009	20.7
161.09602	6.6
162.33472	1.6
163.07530	5.9
163.11235	3.5
165.07001	2.8
167.08571	3.0
168.09402	2.6
169.10110	14.8
170.10915	8.6
171.08047	7.2
171.11693	33.1
173.06009	4.2
173.09669	10.0
173.13255	3.3
175.07556	8.5
175.11200	3.3
177.05540	3.3
177.09143	4.0
179.07060	2.4
179.08463	2.7
180.09323	2.2
181.10165	3.5
182.10910	2.9
183.08240	3.0
183.10240	2.6
183.11723	31.5
185.09660	8.7
185.13258	27.3
186.10521	1.9
187.07538	3.4
187.11208	6.1
189.05519	4.1
189.09015	1.8
191.10791	2.0
193.08636	2.7
193.10155	2.8
195.11662	6.6
197.09615	7.8
197.13274	7.2
198.10193	1.9
199.07576	2.4
199.11174	15.9
201.09015	1.9
201.12778	6.1
205.08536	2.2
205.12273	1.8
206.10823	2.3
207.11687	3.9
209.13254	2.9
211.11180	11.2
213.09218	3.1
213.12770	30.0
215.10590	3.0
217.10167	2.0
219.11871	2.9
220.12456	2.3
221.13278	4.5
223.07628	2.2
223.11214	2.8
225.09079	1.9
227.10684	2.0
229.10165	3.5
229.12239	5.0
230.10976	3.9
231.11855	2.4
231.13844	4.7
232.12392	3.4
233.09586	2.7
233.11450	1.9
233.13419	3.0
234.10164	1.8
235.11150	1.9
235.14859	1.8
237.12868	2.8
239.10722	2.9
241.10065	1.8
241.12218	5.6
243.11626	6.2
243.13832	9.0
243.52240	1.4
244.12447	3.4
245.13242	3.7
245.15396	15.0
246.10431	2.1
246.14038	2.6
247.14911	3.7
253.10046	1.6
255.11652	4.5
255.13954	3.6
256.12384	4.4
257.13190	5.5
258.13840	1.8
259.15085	3.7
260.15601	2.0
261.12741	3.4
269.13214	5.8
270.13965	7.5
271.13312	2.1
271.15115	2.9
272.15701	1.8
273.12372	2.7
273.14789	14.5
275.10355	1.9
275.14230	3.2
277.12201	1.8
280.12393	1.7
281.13165	1.7
283.11188	2.7
283.14554	2.7
284.11826	2.5
284.15494	3.4
285.12741	3.1
285.16345	5.8
286.13846	2.3
286.17291	3.2
287.14270	3.8
287.17828	1.7
289.14737	2.3
297.12781	4.4
297.16257	2.0
299.14447	3.3
299.17746	3.1
300.14819	1.9
301.15793	5.6
303.13971	2.1
303.17337	4.3
311.14178	3.0
312.15051	3.3
313.15836	5.6
315.13638	3.0
315.17294	1.6
317.15390	2.7
317.18863	2.5
327.13937	2.0
327.17282	8.3
329.15311	4.3
331.13345	2.7
331.16888	8.6
337.16083	2.3
341.15268	7.1
343.16882	4.6
345.18393	7.1
347.16226	2.9
349.17944	3.0
355.16818	8.0
359.16483	13.2
361.18036	3.2
363.19720	2.3
371.16296	3.0
373.18018	21.5
377.17480	3.7
383.16235	5.5
387.19641	4.1
391.19031	10.4
401.17450	16.3
403.19080	3.4
405.20712	7.9
415.19327	11.5
419.18478	11.5
421.19873	1.8
423.21524	4.9
433.20200	29.7
434.21109	2.5
451.21133	22.2
493.22174	2.8
511.23547	7.7
693.25818	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	693.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.3
52.86234	1.2
53.03947	9.4
55.01891	3.4
55.05520	6.3
57.03419	1.8
60.28091	1.3
67.05518	6.7
69.03439	2.6
69.07077	2.3
71.04980	1.5
77.03921	1.7
79.01286	1.3
79.05501	9.6
81.03397	3.1
81.07060	8.6
82.07408	1.5
83.04996	7.4
83.08614	1.8
87.29980	1.5
91.05484	14.7
93.07051	10.7
95.04978	16.5
95.08614	5.5
97.02884	1.6
97.06532	2.8
103.04794	2.7
103.05479	49.4
104.05693	1.6
105.03404	59.8
105.04539	3.8
105.07042	21.9
107.04961	3.9
107.08614	7.5
109.06520	3.0
109.10165	2.8
115.05453	6.5
117.07048	10.2
119.04964	3.6
119.07790	2.2
119.08592	24.7
121.06507	4.6
121.10132	3.9
123.08045	2.9
125.02351	2.9
128.06232	5.8
129.07034	6.3
131.04941	100.0
131.08592	10.4
133.06499	11.6
133.10103	9.0
135.08083	6.8
141.07007	3.7
142.07837	7.0
143.08578	11.6
144.09300	1.9
145.06497	7.4
145.10117	12.9
146.07274	1.8
147.04454	2.0
147.08057	10.1
147.11673	1.9
149.05972	5.9
149.09654	8.2
151.07600	2.2
153.06950	3.5
155.08566	8.7
156.09338	9.1
157.10143	23.1
158.07283	1.7
159.08093	7.8
159.11716	18.0
161.06023	12.4
161.09650	4.1
162.06725	2.0
163.07558	2.8
165.06953	1.8
166.07767	1.6
167.08601	4.6
168.09358	3.3
169.10147	12.0
169.90488	1.4
170.10912	5.9
170.43155	1.5
171.08060	4.9
171.11703	29.4
172.08780	1.8
172.12375	2.0
173.05991	4.4
173.09677	9.3
173.13264	5.2
174.06821	3.8
174.10248	2.2
175.07611	7.6
175.11252	2.6
177.05540	3.9
177.09132	4.1
179.07039	5.4
179.08559	3.2
181.08710	1.5
181.10135	7.1
182.11023	2.3
183.08136	3.3
183.11717	42.3
185.09637	5.8
185.13264	19.1
186.10385	1.7
187.07584	3.4
187.09680	1.5
187.11136	8.2
189.05501	3.6
189.09236	2.2
191.07043	2.9
191.10632	2.5
192.09305	1.8
193.08574	1.9
193.10130	5.1
194.10902	2.4
195.08130	2.1
195.11761	6.8
197.09697	7.6
197.13263	5.0
198.10420	2.5
199.07521	2.0
199.11194	7.4
201.09064	2.3
201.12820	7.4
203.08777	1.6
203.10686	2.3
205.08586	3.1
205.12091	2.0
206.10915	4.0
207.06526	1.8
207.11711	9.4
207.13463	1.9
208.12500	2.7
209.09601	3.4
209.13295	3.4
211.11215	7.2
213.09148	4.3
213.12758	13.5
215.10695	3.2
216.09366	2.0
217.10339	1.9
217.12212	3.0
218.10881	2.1
219.11748	2.9
220.12502	4.6
221.13242	8.2
223.11189	3.8
223.14851	2.5
225.09247	1.9
225.12863	2.6
227.10735	3.1
229.10146	3.3
229.12056	7.8
230.10883	3.8
231.11736	3.9
231.13876	4.1
232.12590	3.1
233.13295	4.3
233.15428	5.3
234.13820	2.2
235.11305	1.8
235.14893	3.4
237.08919	1.7
237.12779	3.2
239.14461	2.4
241.12285	2.5
242.10913	1.7
243.11656	5.8
243.13847	9.8
244.12538	1.8
245.13208	4.8
245.15295	9.4
246.14014	2.9
247.11186	2.5
247.15053	2.6
248.11734	2.0
249.12805	4.0
253.12402	1.6
255.11726	3.2
256.12485	1.8
257.13565	6.8
258.14044	4.7
259.11169	3.6
259.15079	2.7
260.15689	1.7
261.12634	3.2
261.14709	2.4
263.14279	2.0
263.18137	1.7
265.12289	1.7
268.12488	4.1
269.13181	3.6
269.17572	2.8
270.10764	1.6
270.14017	4.7
271.15076	2.5
272.15701	3.6
273.15027	4.5
275.14407	2.8
277.12296	1.8
279.11392	1.5
283.14862	3.7
285.12891	2.3
285.16479	4.0
286.13672	2.6
287.14297	3.8
287.17758	2.3
288.14911	1.6
289.15543	2.7
297.12796	2.1
297.16171	2.3
298.13226	1.5
299.14203	5.7
300.15085	2.7
301.15903	5.6
302.16623	1.5
303.13889	3.3
303.17432	1.5
305.15378	2.8
305.18927	2.1
307.13214	1.9
307.16895	1.6
310.13614	1.5
313.12213	2.5
313.15891	3.6
314.13159	2.2
315.14008	1.9
315.17480	5.6
317.15494	2.2
319.13446	3.0
319.17023	5.8
325.15787	2.4
327.13791	2.4
327.17313	3.1
328.14456	2.1
329.15338	11.4
331.16937	5.5
333.18451	2.9
343.16907	13.0
345.14908	2.0
345.18576	4.0
347.16516	12.3
349.17917	3.5
353.15140	2.0
355.16824	2.7
357.14719	2.2
359.16470	3.6
361.18027	11.7
363.16025	2.0
365.17538	5.5
371.16464	7.3
373.17859	6.8
375.15750	2.8
375.19754	2.0
379.19266	6.4
385.17917	1.6
385.47302	1.4
387.19647	1.8
389.17493	15.4
391.19028	4.3
393.20740	2.6
399.15878	3.7
401.17661	1.9
403.19098	8.6
405.20630	4.8
407.18698	10.8
415.19421	1.9
417.16968	4.7
419.18405	3.8
421.20123	19.1
423.21661	3.3
424.74893	1.7
431.18488	3.0
433.19968	5.7
435.18213	4.5
437.19870	2.5
439.21201	12.3
449.19733	7.5
451.21173	5.0
453.19025	3.7
457.22314	1.9
467.20837	8.7
478.28876	1.8
479.20999	2.0
485.21616	4.5
496.29648	4.1
529.24567	2.7
541.75653	1.5
630.00220	1.4
693.30383	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.6
51.02371	3.1
53.03951	7.0
55.01859	2.6
55.05507	5.3
63.80637	1.2
67.05499	3.7
68.99780	1.8
69.03424	3.1
69.07070	2.8
75.55495	1.3
77.03934	2.3
79.05503	8.1
81.03400	3.0
81.07063	3.8
83.04977	3.8
83.08626	1.3
85.06564	1.6
91.05482	16.2
93.07041	5.8
95.04975	11.7
95.08627	4.4
98.05968	1.2
98.20778	2.8
101.39835	1.2
103.05453	8.0
105.03397	100.0
105.04518	4.0
105.07026	22.3
105.07681	1.8
107.04924	2.5
107.08588	6.4
109.06543	4.0
115.05464	5.9
115.07489	1.5
117.07006	11.5
119.04990	2.4
119.08587	23.1
121.06503	3.5
121.10152	5.4
123.04479	1.5
125.02369	1.4
128.06238	5.3
129.07025	7.1
130.07761	2.0
131.04933	15.0
131.08563	14.5
133.06523	11.0
133.10143	11.8
135.04367	1.5
135.08069	5.2
138.05472	1.3
141.06975	2.8
142.07846	6.0
143.08566	13.7
145.06509	7.8
145.10130	11.6
147.08058	9.4
149.05965	2.3
149.09618	4.3
153.06985	2.1
154.07797	1.9
155.08549	6.7
156.06668	1.9
156.09370	10.5
157.06549	2.3
157.10139	23.1
158.07240	1.7
159.04468	1.4
159.08046	7.8
159.11737	4.3
161.05983	18.0
161.09676	8.0
163.07561	2.8
163.11214	6.1
165.07050	3.5
165.09212	1.9
167.08556	4.2
168.09335	3.5
169.10141	13.3
170.10857	8.8
171.08069	6.4
171.11707	39.3
172.08884	2.4
172.12135	1.7
173.09601	10.4
173.13287	2.0
175.07564	9.1
175.11215	2.4
177.05496	2.7
177.09081	5.7
178.07832	1.5
179.07043	3.4
179.08580	3.8
180.09294	2.3
181.10081	6.6
182.07207	1.4
182.10953	2.3
183.08078	4.0
183.11703	32.5
184.08719	2.2
184.12292	2.5
185.09624	10.4
185.13269	32.4
185.14856	2.5
186.10278	2.3
187.03847	1.8
187.07553	3.3
187.11162	4.4
189.05412	6.2
189.12790	2.0
191.07031	1.7
191.10793	1.6
192.09354	2.1
193.08611	2.3
193.10161	6.6
194.10863	2.8
195.08038	2.2
195.11745	8.4
197.09636	5.7
197.13203	9.0
198.10416	3.5
199.07532	2.4
199.11189	13.5
201.09146	2.9
201.12738	5.5
203.10823	1.5
205.08510	2.2
205.10266	2.1
205.12242	3.5
206.10921	2.1
207.11758	7.2
208.12390	2.1
209.09682	3.1
209.13306	3.6
211.07585	1.5
211.11227	12.4
211.14790	1.5
213.09218	4.0
213.12741	32.4
214.13205	2.4
215.10597	1.6
215.14146	1.8
217.08449	2.5
217.10243	3.3
217.12294	1.7
218.10930	3.0
219.11697	3.4
220.12445	3.2
221.13319	6.1
223.11229	3.5
223.14853	2.5
225.09161	2.2
225.12669	1.5
227.10657	2.5
228.09521	1.7
229.10275	2.7
229.12259	4.6
230.10997	1.3
231.11656	4.1
231.13789	4.1
232.12410	1.9
233.13297	5.0
235.11212	2.6
235.14778	2.5
237.12779	2.3
239.10796	1.4
241.12245	4.5
242.10904	3.1
243.11647	4.1
243.13815	7.8
244.12427	3.3
245.13200	4.3
245.15392	24.2
246.10515	1.9
246.13890	2.7
247.11247	3.1
247.14845	4.0
249.12741	3.2
251.14278	2.2
255.11697	4.1
255.13882	3.8
256.12476	4.4
257.13193	5.8
258.14069	3.5
259.11023	2.1
259.14713	4.3
260.11829	2.0
261.12677	3.5
261.16202	2.2
263.10580	1.7
265.12320	1.3
267.11670	4.3
269.13235	6.2
270.11060	1.5
270.14081	5.5
271.14877	3.9
273.12469	2.4
273.14767	11.5
274.13403	2.6
275.10818	1.7
275.14279	1.8
275.17950	2.6
277.12259	2.7
277.15869	1.6
281.13116	1.9
282.14212	1.7
283.11154	1.9
283.14743	2.8
284.12003	3.0
284.15543	4.3
285.12775	3.5
285.16357	6.9
286.13602	1.6
287.10760	1.5
287.14462	2.8
287.17856	2.2
289.14725	2.1
294.14008	1.9
295.14722	3.0
297.12604	2.6
297.16068	1.5
298.13409	2.8
299.10983	1.4
299.14209	3.6
299.17715	2.5
300.11371	1.9
300.14914	2.4
301.12268	2.2
301.15656	2.7
303.14102	2.7
303.17526	3.7
311.14096	2.0
312.15039	2.1
313.12512	2.9
313.15942	5.8
314.16617	2.0
315.13785	4.0
315.17480	3.6
316.14807	1.6
317.15347	3.0
317.18939	1.9
319.13330	2.3
327.13812	1.5
327.17365	5.3
329.15363	3.8
329.19125	1.6
331.16916	11.4
335.16400	1.9
341.15408	7.7
343.13254	2.4
343.17020	4.4
345.18430	9.1
347.16257	4.2
349.18060	2.8
355.16940	12.4
359.16385	15.5
359.20126	1.9
361.14142	2.7
361.18073	3.1
363.19595	2.4
371.16360	3.9
373.18042	19.7
375.15604	2.2
377.17447	6.4
383.16583	6.7
387.19647	2.6
389.17429	4.6
391.19080	10.4
401.17474	22.6
403.18912	2.0
405.20746	5.9
409.19879	2.1
415.19000	9.5
419.18561	15.7
421.20090	4.4
423.21741	6.1
433.20151	27.6
437.19574	1.6
451.21191	25.6
458.19009	1.8
465.52386	1.5
469.22144	2.1
478.28857	1.8
479.20322	4.3
493.22281	2.6
496.30042	1.8
511.23111	6.2
539.22894	1.5
572.02545	1.4
578.16901	1.4
626.38086	1.3
675.27063	1.4
693.42908	2.0
694.34735	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.3
52.01085	0.7
53.03950	7.8
54.65915	0.7
55.01872	3.0
55.05521	3.8
61.02924	1.0
61.86960	0.7
65.03928	1.1
67.05502	6.5
69.03431	1.7
69.07063	2.0
69.17030	6.5
69.17434	2.3
77.03930	3.0
79.05507	6.8
81.03411	3.8
81.07053	6.0
82.07394	1.0
83.04985	3.0
83.08605	0.8
85.06570	0.7
91.05495	8.8
93.07047	6.9
95.04970	14.0
95.08610	5.4
97.06543	0.7
103.05469	5.0
105.03398	100.0
105.04545	4.1
105.07034	12.8
106.03733	1.0
107.04972	3.2
107.08600	5.5
108.50709	0.7
109.06547	3.5
109.10172	1.7
111.25584	0.6
112.42987	0.7
115.03980	0.8
115.05460	2.6
117.07043	6.6
119.04960	4.2
119.08597	9.0
121.02865	0.8
121.06498	3.3
121.10167	3.1
123.08091	1.4
128.06235	3.2
129.07007	5.1
130.07773	1.2
131.04929	6.6
131.08575	7.3
132.05254	0.8
133.06522	7.6
133.10133	6.1
135.08067	3.7
137.06004	2.0
137.09669	0.8
139.93147	0.7
141.07004	2.5
142.07788	3.3
143.08566	7.7
145.06519	3.9
145.10153	6.5
146.10605	0.9
147.08096	5.8
147.11687	0.9
149.06018	3.1
149.09599	6.1
150.06709	0.8
150.83336	0.7
151.07596	1.5
153.07047	1.2
154.07834	1.3
155.08569	6.8
156.09355	7.6
157.06487	1.2
157.10126	11.8
159.04391	0.9
159.08069	6.3
159.11720	3.0
161.06001	5.2
161.09633	4.2
163.07579	2.3
163.11188	2.2
165.07011	2.1
166.07773	1.1
167.08582	2.0
168.09380	2.1
169.10150	9.5
170.10925	5.9
171.08095	5.1
171.11696	25.1
173.06064	1.0
173.09593	7.0
173.13255	2.2
175.07547	3.5
175.11177	1.1
177.05505	2.2
177.09132	1.3
179.07059	4.3
179.08609	2.6
179.10637	0.8
180.09361	1.6
181.10094	3.9
183.08064	3.4
183.11705	20.2
184.12379	1.4
185.09686	5.5
185.13266	19.0
185.14868	1.4
187.07556	1.6
187.11232	2.8
187.14838	1.0
189.05501	2.0
189.09117	1.0
192.09294	1.3
193.08612	1.4
193.10144	4.2
194.10931	1.7
195.08173	1.0
195.11720	4.9
196.08888	0.8
196.12607	1.1
197.09604	5.2
197.13274	4.3
198.10345	1.6
199.07584	1.8
199.11197	6.8
200.11763	1.1
201.09172	2.6
201.12723	2.5
203.08755	0.9
203.10670	1.3
205.10258	1.1
205.12297	1.9
206.10867	1.0
207.06494	1.3
207.11702	4.2
209.09654	2.3
209.13321	2.3
211.11154	5.3
213.09123	2.0
213.12770	12.3
215.08635	0.8
215.10658	1.3
217.10236	1.9
217.12216	1.1
218.11005	0.9
219.08081	0.8
219.11751	2.9
220.12521	2.0
221.09715	1.3
221.13286	3.6
223.11191	3.0
223.14824	1.0
224.11971	1.1
225.12732	1.9
227.10652	1.6
229.10185	2.1
229.12245	3.4
229.14221	1.1
230.10979	1.7
231.11760	3.5
231.13866	1.9
232.12498	2.6
233.09702	1.5
233.13303	4.5
234.14011	1.6
235.11267	1.3
235.14883	2.3
236.11896	1.1
237.12796	1.3
239.10835	1.2
241.12268	2.9
243.11681	3.7
243.13904	6.3
244.12570	4.5
244.14594	0.9
245.13243	4.5
245.15442	12.8
246.10362	1.0
246.14125	1.7
247.11029	1.6
247.14984	4.2
247.16994	0.8
249.12770	1.9
249.16504	1.9
250.13217	0.8
251.10616	1.2
251.14249	1.1
253.12381	1.1
255.11763	1.4
255.14050	1.0
256.12561	2.3
257.13620	3.7
258.14130	3.7
259.11163	1.5
259.15088	5.0
260.12018	1.5
260.15546	2.3
261.12772	1.7
261.16425	3.3
263.10480	0.8
263.14340	1.1
265.12408	1.0
267.11783	1.3
269.13293	2.2
269.17609	1.1
270.14029	3.1
271.14789	3.1
272.11642	0.9
272.15582	2.0
273.12555	1.3
273.14917	3.4
273.16699	2.5
274.13522	0.9
274.17200	0.9
275.14374	3.0
275.17752	1.5
277.11707	0.7
277.15891	1.4
281.13123	1.1
282.14233	1.3
283.11374	1.2
283.14908	2.4
284.12177	1.0
284.15677	2.3
285.12778	2.3
285.16382	4.0
286.13425	1.0
287.14349	3.5
287.17914	1.9
288.15088	1.0
289.15753	3.3
289.19116	1.0
290.16583	1.1
291.13757	0.9
291.17453	1.5
293.15448	0.9
297.12668	1.6
297.16434	1.4
298.13498	1.5
299.14261	2.1
299.17703	0.9
300.15216	1.3
301.12360	1.1
301.15823	3.4
302.16669	1.6
303.14230	1.3
303.17532	3.5
305.15417	0.9
312.15186	1.4
313.15820	3.7
314.16602	1.7
315.13943	1.2
315.17349	2.6
317.15366	2.1
317.19156	2.0
319.16919	1.8
326.13184	0.9
327.17380	4.1
329.15250	3.1
329.18954	1.8
331.13464	1.2
331.17078	4.5
332.17349	0.8
333.18390	2.1
335.16486	1.1
335.20096	0.9
341.15350	3.3
343.16794	1.1
344.17365	1.1
345.18539	4.6
347.16318	3.1
347.20142	1.3
349.18005	4.0
351.19714	0.9
355.16971	3.6
359.16406	8.9
359.20200	1.0
360.16791	1.2
361.18015	2.6
363.19598	3.9
372.16949	1.0
373.18069	9.8
375.19763	2.4
377.17490	6.3
377.21326	1.9
379.19083	0.9
383.16281	1.1
387.19690	2.3
389.17404	2.0
389.21600	1.0
390.18057	1.0
391.19067	7.8
401.17490	5.0
405.20667	8.2
408.18997	0.8
409.20200	1.2
415.19110	2.3
419.18588	5.8
421.20291	3.1
423.21661	5.5
433.20157	12.0
436.18533	1.2
437.19363	1.0
451.21231	13.6
452.21597	1.6
453.19656	1.4
454.19620	2.2
465.22247	1.3
469.22241	3.6
479.20764	1.0
493.22272	2.1
496.20566	1.0
496.29730	1.4
511.23181	2.5
514.21674	2.0
537.22931	0.9
553.24384	1.0
574.23901	2.2
693.30444	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	693.2907
Annotation	Torreyanic acid
Peak:m/z	Relative Intensity
51.02378	1.7
53.03951	8.7
55.01881	1.8
55.05515	1.1
56.55934	0.9
58.57105	0.9
67.05507	3.1
69.07065	1.2
69.17656	4.6
69.18087	5.3
71.13956	0.9
77.03935	1.8
79.05504	5.1
81.03391	1.4
81.07046	4.5
83.04988	1.9
85.02854	1.2
88.27793	1.0
91.05494	10.1
93.07062	6.6
93.49252	0.9
95.04976	9.6
95.08611	4.8
97.06488	1.2
98.21471	2.0
103.05429	2.5
105.03405	100.0
105.04424	5.7
105.07034	11.1
107.04960	1.9
107.08612	5.9
109.06543	2.1
115.05511	1.8
116.06284	1.0
117.07043	5.1
119.04984	1.4
119.08602	11.6
121.06501	2.8
121.10154	2.4
123.08129	1.2
128.06227	3.0
129.07019	3.0
131.04939	3.3
131.08569	9.0
133.06499	4.6
133.10138	6.8
135.08078	5.0
137.09724	1.2
141.06949	1.4
142.07822	3.7
143.08577	6.1
145.06468	5.0
145.10146	6.7
147.08070	7.0
149.05986	1.5
149.09639	6.8
153.06912	1.7
155.08600	4.5
156.09334	4.0
157.06464	2.2
157.10172	9.4
158.20572	1.0
158.67487	0.9
159.08054	4.1
159.11739	2.3
161.05913	5.3
161.09602	3.0
163.11192	3.9
165.07018	2.5
166.07819	1.0
167.08540	1.6
168.09331	2.1
169.10144	6.5
170.10901	4.3
171.08049	6.1
171.11705	19.0
173.09590	7.0
175.07640	5.8
177.09137	1.8
179.07040	3.5
179.08525	2.4
181.10120	2.2
182.10786	1.6
183.08057	1.9
183.11720	10.9
184.08864	1.6
185.09689	6.2
185.13220	12.0
187.11189	3.5
191.08560	1.1
193.08545	1.9
193.10185	3.4
195.08069	1.1
195.11739	4.3
197.09688	2.7
197.13307	2.9
198.10362	1.6
199.07529	1.2
199.11198	8.5
199.13005	1.4
201.12752	2.7
203.08768	1.2
203.10678	1.7
205.12221	1.5
206.10947	1.6
207.11707	3.0
209.09613	1.9
209.13087	1.5
211.11226	6.5
211.14868	1.4
213.09348	1.5
213.12775	18.6
215.10648	1.2
217.10172	2.4
218.10941	1.4
219.11673	3.1
220.12486	2.3
221.13248	2.4
223.11198	2.6
225.09061	1.1
225.12776	1.4
227.10690	1.2
229.10254	1.8
229.12256	2.2
230.10883	1.6
231.11702	3.2
231.13828	2.5
232.12347	2.5
233.13466	2.3
234.14137	2.5
235.11107	1.7
235.14935	2.4
237.12666	2.2
239.10698	1.2
241.12160	2.4
242.10915	1.2
243.11641	2.9
243.13850	4.2
244.12575	2.1
245.13283	3.0
245.15471	8.5
246.14119	2.0
247.10999	1.2
247.15086	1.6
248.11935	1.6
249.12729	2.4
249.16315	2.8
255.13852	2.3
256.12497	2.3
257.13382	2.4
258.14120	2.8
259.14874	4.0
260.15564	1.4
261.12808	1.9
261.16373	3.7
263.14447	2.0
263.17899	1.6
270.14017	1.9
271.15018	2.1
273.12488	1.7
273.14615	5.4
274.13150	1.1
275.14514	2.1
275.17819	1.5
276.15118	1.8
277.15808	1.6
279.14075	1.1
284.15720	1.9
285.12875	2.0
285.16354	3.2
286.13406	1.6
287.14282	3.0
287.17880	1.5
289.15884	1.8
291.17319	1.4
297.16028	1.3
299.14285	2.1
300.15060	2.0
301.15878	2.8
302.16568	1.7
303.17456	3.1
312.14777	1.4
313.15845	3.6
315.17365	4.0
317.15283	1.4
317.18948	1.6
319.16928	2.2
327.17480	2.5
329.18918	1.5
331.13348	1.6
331.16849	6.3
341.15280	1.8
343.16815	1.3
345.18515	3.5
347.16299	1.1
349.17960	3.3
351.19498	1.4
355.16891	3.2
357.18604	1.5
359.16510	3.3
361.17932	1.3
363.19559	3.8
373.18088	8.8
375.19641	1.6
377.17429	6.7
377.21341	1.7
387.19495	1.7
391.19150	8.5
401.17468	5.5
405.20670	4.0
411.21594	2.2
415.18875	1.8
419.18460	6.0
421.19983	2.0
423.21613	4.3
433.20062	10.0
451.21252	18.6
465.22711	1.8
469.22076	2.4
479.20871	2.0
483.24228	1.3
493.22186	3.7
496.29733	1.1
511.23212	5.1
555.23920	1.3
573.24652	4.6
601.23834	1.2
633.26605	4.0
693.29071	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	692.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90132	1.5
53.03944	7.4
55.01876	4.2
55.05301	2.3
55.05518	22.8
56.55819	2.2
57.03433	6.9
57.07079	2.0
63.28378	1.6
65.03948	5.6
67.05510	100.0
69.07072	24.2
71.04980	11.7
79.05502	79.9
79.05961	4.5
81.07063	90.8
83.04984	5.6
83.08614	11.0
85.06544	6.0
91.05489	88.5
93.07052	97.2
95.04967	7.3
95.08616	61.5
95.09228	1.8
97.06540	8.6
97.10179	2.9
99.08109	4.9
105.04558	2.5
105.07039	49.9
107.08601	47.9
108.27278	2.0
109.06516	4.1
109.10162	15.4
111.08110	6.2
115.05474	3.8
115.86269	1.7
117.07025	49.7
118.62220	1.6
119.08590	40.7
121.06516	2.7
121.10151	70.7
123.08088	5.7
123.11726	3.5
125.09673	2.2
128.06198	3.2
129.06990	12.8
131.08583	43.0
133.10135	35.9
135.08086	3.0
135.11696	31.6
137.09650	2.9
141.07001	3.0
141.34105	1.6
143.08597	10.9
145.10162	28.3
147.11700	18.5
149.09634	3.2
149.13287	12.4
151.11128	2.3
155.08559	3.6
157.10138	10.9
159.11688	19.3
161.13263	8.1
161.14546	2.0
163.11206	4.5
169.10139	5.1
171.11658	11.9
173.13280	7.6
175.14842	2.2
177.12776	4.7
179.14268	2.0
183.11694	4.5
185.13234	4.8
187.14752	2.8
195.13745	2.1
197.13269	3.9
199.14803	2.6
211.14838	2.1
213.16425	3.7
229.19478	3.2
239.17937	9.5
241.19617	3.1
249.18518	2.1
257.19049	24.7
259.20660	13.1
275.20093	22.5
277.21616	13.9
313.21469	2.9
315.23199	2.6
324.68887	1.7
331.22696	33.0
333.24319	11.2
349.23727	13.2
351.25314	70.8
352.25912	2.0
357.45752	1.8
363.25391	3.8
381.26376	27.8
526.63165	2.0
581.41785	5.1
599.43115	46.7
607.43542	15.0
625.44806	19.5
633.32874	4.9
639.45715	2.3
657.47290	29.0
692.34460	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	692.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.7
53.03954	6.2
54.99487	1.1
55.01867	3.4
55.05515	15.4
57.03438	8.5
57.07050	1.3
58.06584	1.1
63.95635	1.2
65.03935	4.7
67.05508	67.9
67.06931	1.2
68.32688	1.2
69.03430	1.5
69.07076	16.5
70.78955	1.9
70.79288	2.2
71.04994	9.6
77.03941	1.4
79.05495	76.8
79.55922	1.3
81.03420	2.1
81.07057	72.4
83.04972	5.0
83.08627	7.6
85.06548	1.5
87.04504	1.3
91.05484	100.0
91.34435	1.2
93.07047	67.7
95.04964	7.2
95.08611	37.5
97.06525	7.8
97.10165	4.8
105.04523	3.2
105.07035	53.8
107.04964	2.9
107.08600	39.4
109.06506	5.4
109.10156	12.6
111.08073	3.0
113.06043	1.3
115.05449	3.9
116.06230	1.9
117.07019	52.2
117.07856	2.7
119.08583	38.1
121.06503	1.8
121.09322	2.3
121.10149	37.5
123.08061	4.0
123.11718	3.8
125.09621	2.0
128.06230	3.0
129.07007	14.4
130.07790	1.7
131.08571	51.4
133.10143	29.4
135.08043	5.1
135.11700	20.9
137.09608	2.6
141.06985	4.0
142.07755	3.1
143.08562	16.5
145.10126	33.0
145.11258	2.1
147.08070	2.0
147.11678	15.9
149.09621	3.1
149.13231	6.8
151.11150	2.2
155.08557	5.6
157.10136	12.1
159.11694	18.9
161.09485	1.5
161.13266	7.5
163.11157	2.6
163.14911	1.6
165.12802	1.7
169.10092	6.2
171.11684	14.7
173.13255	6.7
175.14876	1.5
177.12720	4.2
181.10133	2.9
183.11710	6.2
185.13269	5.0
187.14812	3.1
195.11688	2.9
195.13611	1.9
197.13275	4.8
199.14861	2.7
209.13261	2.8
211.14783	1.9
213.16321	1.8
215.17903	1.4
229.19511	2.2
237.16397	1.8
239.17978	5.7
241.19545	2.4
249.18370	1.5
255.17572	1.5
257.19019	20.0
259.20538	13.3
275.20068	17.6
277.21652	3.0
315.23279	2.7
331.22647	14.6
333.24268	22.2
335.25922	2.2
349.23761	19.0
351.25317	18.9
363.25049	1.9
375.26862	1.5
381.26514	10.3
487.34793	1.7
515.38818	2.6
533.39966	2.5
581.41992	3.8
599.42798	3.7
607.43561	17.2
625.44550	16.2
639.46063	4.9
642.92621	1.5
657.46606	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	692.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.9
54.66484	1.5
55.01875	2.1
55.05519	21.5
56.96531	1.4
57.03433	7.0
57.06121	1.4
57.07077	2.6
65.03933	6.2
67.05509	100.0
69.03436	1.5
69.07072	22.4
71.05001	13.6
79.05498	86.2
80.30875	1.8
81.07063	95.5
82.65751	1.8
83.04976	5.4
83.08627	15.2
85.06529	5.4
89.64629	1.8
91.05486	99.7
93.07050	89.9
95.04984	7.5
95.08611	59.0
95.09114	1.3
97.06538	9.1
97.10172	4.5
98.21523	3.8
99.08079	2.0
102.03773	1.6
105.04526	4.5
105.07037	46.8
107.04967	3.2
107.08601	46.4
109.06502	4.9
109.10163	20.8
111.08074	6.8
115.05459	4.8
117.07020	43.4
119.08588	43.4
121.06613	1.6
121.10152	66.9
121.11036	3.3
123.08096	3.0
123.11685	4.4
125.09631	3.0
125.89658	1.6
128.06233	2.0
129.07007	12.7
131.08572	47.9
133.10139	35.1
135.08092	2.9
135.11700	31.8
136.53102	1.6
137.09599	6.0
139.11131	1.7
141.06987	3.6
143.08591	12.6
145.10132	30.0
147.11694	17.2
149.09642	4.6
149.13293	8.7
151.11182	2.3
155.08607	3.5
157.10081	9.2
159.11726	16.7
161.13249	10.5
163.11131	2.8
171.11656	11.6
173.13269	10.1
175.11272	2.1
175.14914	2.2
177.12781	4.0
179.14287	3.9
183.11642	3.8
185.13240	7.0
187.14746	2.3
195.13823	2.3
197.13200	1.7
213.16467	1.9
229.19542	3.2
231.17484	1.9
239.18004	7.6
241.19482	2.5
249.18614	1.6
249.94098	1.7
257.19046	23.2
259.20538	11.3
275.20090	21.4
277.21771	9.3
305.21088	1.8
307.22641	2.1
312.41113	1.8
313.21683	3.6
321.78030	1.9
331.22687	23.7
333.24255	7.1
335.25949	1.8
349.23770	12.8
351.25308	56.3
363.25351	2.7
381.26395	19.6
527.37183	2.3
533.39368	2.2
581.41504	2.6
595.43573	1.9
599.43042	39.3
600.43115	1.8
607.43848	9.5
625.44421	16.4
633.33112	2.2
639.46039	2.7
657.47327	24.4
692.35236	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	692.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79446	1.9
53.03949	8.5
55.01888	12.2
55.05264	2.8
55.05515	29.2
57.03436	10.4
60.07176	2.0
60.82330	2.0
65.03942	4.3
65.21307	2.1
65.58435	2.1
67.05509	73.0
69.03429	12.4
69.06725	3.2
69.07073	38.7
71.04995	7.6
71.56187	2.3
71.56623	2.7
79.05495	53.4
81.03429	14.5
81.07063	68.8
83.05008	10.3
83.08617	18.0
85.02945	5.0
85.06554	4.8
91.05490	46.7
93.07045	56.2
95.04971	13.9
95.08619	35.0
97.02895	7.8
97.06542	12.9
97.10176	17.0
99.08113	2.6
105.03407	3.0
105.04499	2.4
105.07039	35.7
107.04958	13.1
107.08595	34.8
107.82649	2.1
109.02956	2.1
109.06535	7.7
109.10163	17.7
111.08083	5.8
117.07014	21.1
119.08596	24.9
121.06492	7.9
121.10158	21.0
123.08088	5.3
123.11730	4.2
125.09634	10.3
129.07036	11.8
131.08546	24.0
133.06500	6.0
133.10153	23.6
135.08083	5.7
135.11716	11.3
137.09657	4.6
141.06996	2.7
143.08562	6.0
145.06497	2.7
145.10165	13.4
147.08028	4.7
147.11696	8.4
149.09659	8.0
149.13286	10.4
151.11259	4.8
152.05745	3.9
157.10156	8.5
159.08043	2.9
159.11688	11.9
161.09631	3.7
161.13306	3.9
163.11230	6.7
165.09093	3.6
169.10014	2.6
171.11746	3.9
173.13197	4.9
175.11230	2.6
177.12756	3.7
183.11632	2.2
187.11176	3.0
189.11246	6.5
195.13861	4.1
221.74878	2.1
223.13327	16.7
227.12769	10.5
229.19516	2.8
239.18170	2.7
249.14897	2.5
253.14362	5.2
255.15977	9.5
257.19061	4.4
269.17529	18.9
270.64484	2.1
273.18463	15.7
275.20074	16.8
289.17978	2.9
291.19565	100.0
292.19852	2.6
307.19064	2.9
309.20718	3.3
347.22214	4.9
349.23721	14.5
351.25311	4.6
365.23251	37.3
367.24576	3.7
381.22543	3.7
440.35318	2.5
527.38116	3.0
545.34735	12.3
559.28442	3.7
559.36316	44.1
595.53625	2.3
639.42426	11.7
657.43500	8.3
692.40515	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	692.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
55.01871	12.0
55.05515	26.1
55.66977	2.3
57.03437	13.4
57.07079	4.1
59.05006	2.8
59.24503	2.1
65.03934	3.5
67.05510	100.0
69.03437	6.9
69.07071	31.2
71.04996	9.3
71.08666	2.4
79.05062	4.6
79.05499	71.8
81.03427	15.6
81.07062	99.7
83.04986	17.1
83.08644	16.8
84.22038	2.1
85.02909	2.6
85.06548	5.3
87.21233	2.5
91.05484	93.9
93.07051	77.7
95.04974	19.4
95.08619	52.4
97.02875	2.7
97.06547	22.0
97.10183	5.7
105.07035	63.8
107.04969	15.1
107.08599	55.0
109.06544	14.5
109.10161	43.7
111.08121	5.2
115.05472	2.6
117.07021	25.8
119.08588	32.7
121.06525	9.4
121.10146	27.5
123.08105	5.5
123.11736	11.4
125.09646	5.9
128.06270	3.4
129.07019	9.3
131.08582	33.5
133.06509	5.4
133.10138	67.1
133.11096	5.1
135.08061	8.8
135.11717	18.1
137.09639	4.5
138.58237	2.5
139.07454	2.6
141.07008	5.2
143.08574	9.9
145.10127	21.3
147.08063	3.4
147.11641	16.5
149.09607	18.3
149.13268	7.4
151.11168	27.0
152.05699	25.8
153.04062	5.0
155.08667	3.2
157.10139	11.8
159.08028	3.1
159.11676	17.3
161.09616	8.5
161.13260	7.1
163.11206	10.1
169.10133	3.7
169.12195	3.5
171.11694	6.0
173.13260	6.4
175.11156	3.5
177.12727	4.9
179.14351	5.8
185.13263	4.1
195.13834	3.0
199.14827	3.8
205.15938	2.6
227.12788	3.3
239.17995	3.5
245.19112	3.6
253.14354	81.1
255.15794	4.7
257.19012	8.2
261.10916	2.4
261.22043	3.4
269.17462	9.5
273.18484	19.5
275.20068	20.0
277.21704	3.0
291.19437	15.2
296.24268	2.6
331.22720	3.6
337.27570	3.2
345.44040	2.6
347.22025	8.3
349.23706	23.7
351.25269	7.4
365.23312	23.6
367.24756	6.2
447.27325	8.6
465.28421	4.1
518.76917	2.7
520.37323	5.4
521.39136	3.0
545.34808	13.2
559.36377	35.3
639.42218	8.4
657.43213	6.7
674.44006	4.3
692.44891	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	692.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	2.5
53.03940	7.9
55.01855	7.0
55.05516	36.2
55.93775	1.7
57.03428	19.7
57.07066	2.9
59.10590	1.6
61.02913	6.9
65.03941	3.9
67.05508	100.0
69.03423	7.0
69.07074	17.4
69.81119	9.7
71.01357	2.9
71.04996	9.1
73.02895	6.6
79.05070	2.7
79.05497	43.1
81.03423	11.6
81.07058	82.0
83.04983	15.5
83.08620	21.4
85.02915	15.5
85.06521	5.2
87.04462	4.1
91.03940	4.3
91.04976	2.6
91.05486	33.5
93.06474	3.2
93.07045	50.2
95.04991	14.7
95.08616	24.5
97.02888	7.3
97.06533	12.2
97.10181	13.7
99.08076	4.2
103.05460	13.8
105.03385	8.6
105.07037	26.5
107.04943	6.7
107.08600	39.5
109.06518	6.3
109.10161	48.6
111.04441	3.2
111.08086	8.3
113.05932	2.0
115.05381	1.9
117.07029	11.4
119.08591	22.5
121.06503	4.3
121.10152	12.9
123.08092	4.4
123.11697	7.0
125.09640	15.8
127.03931	2.0
128.06186	2.4
129.05482	4.3
129.06981	3.7
130.07716	2.5
131.04932	28.6
131.08589	14.0
133.06485	2.7
133.10133	22.0
135.08069	4.9
135.11673	11.5
137.09540	4.5
143.08527	5.2
143.10678	2.1
145.06494	3.7
145.10118	10.6
147.08049	7.3
147.11674	4.8
149.09584	5.5
149.13261	15.4
151.11235	2.9
153.12772	3.3
155.08572	2.9
155.10675	5.9
156.09213	2.0
156.99655	2.0
157.10112	10.7
158.10405	2.7
159.08113	2.7
159.11714	11.8
161.06012	2.5
161.09654	3.5
163.11185	8.4
165.12682	2.4
167.08344	2.0
169.10181	4.7
170.10703	3.2
171.11694	10.8
172.12059	2.9
173.09608	6.6
173.11786	12.4
175.07545	2.5
177.12767	4.6
179.07028	1.9
179.08562	3.5
181.10063	3.1
181.12151	2.3
183.11737	12.7
184.12015	3.8
185.09668	2.7
185.13245	7.7
186.10054	2.2
186.13664	3.1
187.11211	4.0
189.11264	2.0
191.10701	4.2
193.10269	2.8
193.12239	5.6
195.12050	3.1
195.13783	17.4
197.09625	2.2
197.13112	2.3
199.11238	3.8
199.13251	6.8
201.12761	2.5
206.10812	2.4
207.11700	4.7
209.11723	7.6
211.11174	2.9
211.13228	2.8
213.09056	2.0
213.12721	6.8
213.14696	3.0
214.13092	2.9
221.13245	3.5
227.12814	8.2
229.12299	2.9
229.14346	61.2
230.10715	2.4
231.11734	2.9
232.12479	2.7
233.13292	3.2
235.14684	2.9
239.16406	3.3
245.13211	2.9
245.15477	2.9
246.13910	4.6
247.14479	2.1
257.13577	4.9
258.13919	2.8
259.14792	1.8
261.12485	2.1
261.16467	1.9
267.15860	7.9
269.17484	73.1
273.15005	3.1
283.15356	7.1
285.16647	2.9
289.15942	2.4
301.16479	21.2
317.18839	2.0
329.15558	2.2
330.15619	2.7
331.16852	2.1
343.16791	2.6
345.18497	2.6
347.16388	2.4
348.16965	2.4
349.18088	2.6
361.17859	5.4
363.19339	2.4
365.17352	4.3
371.16229	2.3
373.17996	2.7
374.18262	3.2
379.18967	3.3
389.17398	4.4
393.26276	2.8
402.17715	2.4
407.18518	4.8
411.27368	7.2
419.18079	2.6
420.18665	2.4
421.19965	6.0
423.21863	2.7
423.27383	50.5
431.28073	2.4
433.19675	2.9
434.20477	4.8
437.29074	5.4
439.21204	2.8
452.21561	4.7
463.30487	10.7
467.20395	5.4
477.28329	5.1
485.21619	2.0
495.29294	63.3
507.79654	1.9
509.32394	2.2
513.30670	21.7
516.81677	2.3
566.07813	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	692.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	11.9
55.05266	3.3
55.05513	45.4
57.03434	23.2
59.04980	4.3
61.02912	8.0
65.03932	3.5
67.05507	100.0
69.03419	9.5
69.07067	21.2
71.04980	9.3
72.45083	2.0
73.02897	6.0
79.05065	3.1
79.05495	46.4
81.03423	19.1
81.07062	77.1
83.04988	18.7
83.08625	23.2
85.02899	20.0
85.06548	5.1
87.04466	6.0
91.05493	35.5
93.07047	44.7
95.04958	12.1
95.08608	25.6
97.02905	10.4
97.06525	11.8
97.10167	15.4
99.08099	4.1
103.05457	7.6
105.03382	5.2
105.07017	21.8
107.04955	6.9
107.08590	25.1
109.06522	5.9
109.10159	56.4
111.08070	7.6
111.08855	2.5
115.05473	4.1
117.07030	14.0
119.08562	15.6
121.06503	5.9
121.10144	14.4
123.08057	5.1
123.11680	4.9
125.09632	13.3
128.06215	3.9
129.05478	5.3
129.06985	10.8
131.04932	13.9
131.08569	17.3
133.06506	10.6
133.10130	12.2
135.08028	4.3
135.11729	11.5
137.05969	2.7
137.09636	2.8
141.06989	5.0
143.08560	7.7
143.10583	2.3
145.06459	7.2
145.10138	6.5
147.08038	5.0
147.11697	5.7
149.09639	2.9
149.13290	12.7
151.07571	3.2
153.12753	4.6
155.08554	3.6
155.10568	4.6
156.09268	3.1
157.06500	5.2
157.10147	10.9
158.07178	2.2
159.08118	5.7
159.11662	7.9
161.06001	21.8
161.09636	2.5
163.07552	5.2
163.11195	10.1
165.12747	5.2
167.08582	5.3
169.06479	4.0
169.10150	5.5
171.07980	3.2
171.11674	8.7
173.09622	4.8
173.11743	12.5
175.07523	2.4
175.11208	4.7
177.12730	3.3
179.07054	2.4
179.08559	5.3
180.09209	2.3
181.10019	3.4
181.12344	2.5
182.11003	2.4
183.08086	3.3
185.09666	7.1
185.13177	2.9
187.07562	3.6
187.11218	2.9
191.10591	4.2
192.09402	2.9
193.10132	2.3
193.12215	5.1
195.08113	3.5
195.11879	4.4
195.13786	14.0
197.09619	6.0
199.11186	16.1
199.13266	7.3
201.09071	2.8
207.11699	2.8
209.09856	3.1
209.11568	10.3
213.09140	6.3
213.12733	4.8
217.10175	2.6
221.13350	2.7
223.11284	2.8
225.09134	9.4
227.10739	3.3
227.12737	11.2
229.14381	55.1
235.11154	3.5
239.10693	2.9
239.16464	4.7
240.48683	2.3
259.11121	2.7
267.15930	9.8
269.17471	65.4
271.09610	3.7
283.15399	6.9
285.16672	2.8
291.13538	2.4
301.16443	23.9
303.12274	3.2
311.14380	2.4
331.16986	4.5
357.14368	2.5
359.16382	3.8
377.17438	7.2
387.19687	4.4
393.26273	4.2
395.18384	6.5
405.20990	5.0
411.27536	4.1
423.27414	41.9
433.16299	2.9
463.17355	8.0
477.28656	4.2
481.18353	6.9
495.29559	74.4
513.22021	4.4
513.30518	35.1
693.28210	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	692.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
55.01870	6.4
55.05259	2.7
55.05513	34.9
57.03434	18.5
57.07074	2.3
59.04995	3.1
61.02916	5.7
65.03931	2.7
67.05507	100.0
69.03426	6.5
69.07070	17.5
70.06582	6.7
71.04977	5.2
73.02925	4.1
79.05496	35.5
81.03416	10.3
81.07057	65.4
83.01330	1.9
83.04986	13.6
83.08622	21.1
85.02907	20.2
85.06528	3.6
87.04469	4.3
90.67168	1.6
91.03950	3.7
91.05482	27.6
93.06474	2.8
93.07047	40.6
95.04974	8.0
95.08612	20.6
97.02884	6.9
97.06523	7.6
97.10184	14.6
99.08111	1.5
103.03950	1.9
103.05462	1.6
105.07024	14.8
107.04961	6.1
107.08603	30.4
109.02890	2.1
109.06516	2.8
109.09460	3.3
109.10162	48.8
111.04443	2.1
111.08077	4.5
116.04771	1.6
117.06980	9.3
119.08591	12.5
121.06520	3.8
121.10144	10.1
123.08095	2.8
123.11691	2.5
123.13906	1.6
125.09631	12.2
127.03922	3.4
129.05472	4.1
129.07016	3.4
131.04956	6.6
131.08577	10.3
133.06516	1.9
133.10149	16.0
135.08057	3.2
135.11723	8.7
137.09679	2.1
143.08583	2.7
145.06519	1.6
145.10115	5.1
147.08028	2.9
147.11714	5.3
149.09584	2.6
149.13263	10.7
151.11159	1.9
153.12720	4.7
155.10658	5.4
157.10155	4.6
159.11671	7.8
161.05952	4.5
161.09671	1.9
163.11142	8.9
165.12776	3.1
169.10170	2.6
173.09642	3.3
173.11707	10.1
177.12784	4.7
181.12242	2.0
191.10728	3.5
193.10176	1.9
193.12209	4.1
195.12100	3.1
195.13771	13.5
197.09660	2.0
199.11382	3.4
199.13295	7.1
209.11748	6.1
209.51601	1.5
211.13326	2.9
213.12878	3.4
213.14919	3.0
227.12781	5.8
229.12099	2.9
229.14346	47.8
231.13855	2.1
239.16299	3.2
257.13837	4.0
267.16028	8.2
269.17465	54.8
283.15314	5.6
297.16870	3.4
301.16446	15.9
319.79254	1.6
393.26736	2.3
411.27417	7.5
423.27438	33.2
431.27811	2.3
477.28207	3.2
495.29565	58.7
513.30505	24.0
553.27197	1.6
567.97540	1.8
653.06812	2.0
693.28491	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	692.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34017	0.2
52.37234	0.2
53.03941	0.4
55.05515	0.5
57.94698	0.2
60.55316	0.3
65.03955	0.3
67.04240	1.2
67.05496	1.1
69.03439	2.1
70.06584	1.0
71.04968	0.3
72.08145	0.9
73.21452	0.2
76.40379	0.2
78.92709	0.3
79.05514	1.6
80.05043	0.3
81.03410	1.0
81.07063	1.4
82.06584	25.1
83.04968	0.8
83.08626	0.4
85.02913	0.5
85.06605	0.3
86.09743	0.3
87.04463	0.3
87.85535	0.3
91.05481	1.6
92.65463	0.2
93.07030	1.4
94.06578	0.5
95.04971	0.7
95.08597	0.8
96.08089	0.4
97.02864	0.5
97.06546	0.6
98.06056	0.3
99.04457	0.8
100.07624	100.0
101.07932	0.4
105.07028	2.3
107.04958	0.6
107.08603	1.2
109.06539	0.6
109.10140	0.5
111.04423	0.3
111.08090	0.3
113.05978	0.3
115.05433	0.3
117.07015	0.9
119.08615	1.6
121.06535	0.5
121.10159	0.8
124.07617	0.3
125.05917	0.4
127.03925	0.4
128.07111	0.4
129.07004	1.1
131.08577	1.7
133.10139	0.9
134.08134	0.3
135.08096	0.5
136.07579	0.4
137.06006	0.4
138.05560	0.3
138.09158	0.2
139.07428	0.2
141.07010	0.4
142.07674	0.4
142.08633	0.8
143.08525	1.6
145.10156	2.1
147.04401	0.4
147.08073	0.5
147.11705	0.5
151.07603	0.3
152.07144	0.6
153.05458	0.6
155.08577	1.0
156.09354	0.6
157.10156	1.4
158.08134	0.8
159.11696	0.8
160.09705	34.7
161.09810	0.5
167.07262	0.3
167.08643	1.0
169.10159	1.2
170.55783	0.4
171.11687	1.2
172.03877	1.2
173.04350	0.3
178.07678	0.2
179.08604	0.8
180.09349	0.4
181.10115	1.3
183.11685	1.1
185.13316	0.6
187.11180	0.4
191.10686	0.4
192.09364	0.4
193.10255	1.2
194.08208	0.7
194.10980	0.4
195.08430	0.4
195.11650	1.3
197.13284	1.0
199.11218	0.4
204.06558	1.9
205.06931	0.6
205.10211	0.6
205.12271	0.4
206.10953	0.6
207.11748	1.3
208.12529	0.3
209.13318	1.9
211.11365	0.3
211.14931	0.5
212.09174	1.0
213.09547	0.3
216.09433	0.3
217.10158	0.4
218.10893	0.5
219.11789	0.6
221.13322	1.6
223.11336	0.4
223.14841	0.9
225.12801	0.4
229.12410	0.3
231.11797	0.8
232.12424	0.4
233.13319	0.7
234.14168	0.3
235.14790	1.2
237.16426	0.4
241.09975	0.3
245.13130	0.3
247.14996	0.5
249.16374	0.4
259.15079	0.3
261.16498	0.5
263.14395	0.3
263.18024	0.4
269.69232	0.3
277.16003	0.3
281.15546	0.4
285.12128	0.3
287.17981	0.4
297.92398	0.3
414.43027	0.3
419.66885	0.3
494.31049	0.3
502.25317	0.3
580.64130	0.3
632.34387	0.7
639.93036	0.3
640.05280	0.3
648.42206	0.6
692.36444	56.7
693.37103	2.0
720.08368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
53.35170	0.3
54.41365	0.2
55.01863	0.4
55.05519	1.3
57.03444	1.3
57.07054	0.4
59.04992	0.4
61.02932	5.0
63.05105	0.3
67.05509	9.6
69.03427	2.5
69.07079	1.4
70.84409	0.3
71.01334	0.3
71.04985	1.0
71.08626	0.3
73.02921	4.1
79.05490	2.5
81.03432	2.0
81.07066	4.2
83.04974	0.3
83.08614	0.8
85.02908	5.1
85.06566	0.5
87.04490	0.5
91.03956	3.0
91.05493	2.2
93.07050	2.7
95.05004	0.3
95.08610	3.0
97.02898	4.3
97.10199	0.4
98.20705	0.5
99.04462	0.7
101.02376	2.1
103.03983	0.7
105.07050	1.4
107.08598	1.3
109.02898	1.0
109.06568	0.3
109.10160	7.4
111.08083	0.3
115.03933	0.6
116.55424	0.2
117.07069	0.3
119.08576	1.1
121.10161	1.5
123.11723	0.3
127.03931	1.3
129.05495	0.3
129.07062	0.5
131.08594	0.7
133.10141	0.6
135.11719	1.0
137.09703	0.6
145.10170	0.7
147.11731	0.4
155.10654	0.7
161.13371	0.2
163.11266	0.4
171.11667	0.3
173.11774	1.8
173.13240	0.5
179.14281	0.2
185.04280	0.7
190.18987	0.2
194.65173	0.3
195.09970	0.6
203.05435	0.4
229.14311	1.5
243.08386	1.8
272.46170	0.3
291.19598	0.4
311.25635	0.4
335.25827	0.7
366.20731	0.3
377.02924	0.3
413.17825	9.8
519.29419	4.9
519.36713	0.8
691.40283	100.0
692.40552	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	691.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01870	0.7
55.05524	1.8
57.03432	1.9
59.04985	0.3
61.02641	0.5
61.02932	5.2
64.19424	0.3
65.03956	0.4
67.05509	8.5
69.03432	3.5
69.07065	1.1
71.04992	0.9
73.02560	0.4
73.02929	3.9
79.05495	3.9
81.03420	2.1
81.07063	5.5
83.08640	1.1
85.02921	4.7
85.07817	0.3
91.03966	3.6
91.05480	2.7
93.07048	4.2
95.04971	0.6
95.08613	3.5
97.02906	4.6
97.06553	0.3
97.10170	0.5
99.04471	0.6
101.02379	1.7
103.03959	0.6
105.07040	1.7
107.08592	2.5
109.02886	0.9
109.06554	0.3
109.10165	5.2
111.08104	0.4
111.37333	0.3
115.03989	0.5
116.67139	0.3
117.07046	0.9
119.08582	1.5
121.10153	2.1
123.11685	0.4
127.03947	1.8
131.08617	1.0
133.10109	0.8
135.11694	1.2
137.09583	0.3
145.05042	0.4
145.10133	0.6
147.11703	0.7
155.10698	0.4
163.91458	0.3
173.11827	1.5
173.13193	0.5
185.04243	0.6
195.09975	0.9
203.05254	0.7
229.14433	0.9
243.08382	1.6
247.14107	0.3
261.21982	0.4
275.20105	0.4
275.56030	0.4
335.26053	0.7
413.17920	3.6
509.78708	0.3
519.29456	7.7
519.36572	0.8
653.67047	0.3
659.26843	0.4
673.43610	0.4
691.40308	100.0
692.40381	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	691.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01868	4.9
55.05267	3.2
55.05518	57.2
67.05500	8.2
69.03421	4.1
69.07046	3.0
69.38354	20.4
71.04993	3.0
78.12434	2.4
79.05481	9.5
81.03418	4.2
81.07071	13.4
83.04992	100.0
85.02860	2.6
86.06061	3.7
91.05495	18.6
93.07061	14.4
95.04966	4.3
95.08606	10.1
98.20815	4.5
103.05465	2.5
104.07082	3.3
105.07047	16.7
107.04965	6.6
107.08595	11.3
109.06511	7.0
111.08091	3.0
115.05446	3.8
117.07023	9.4
119.04926	3.5
119.08598	17.4
121.06487	6.7
121.10152	3.5
123.08035	2.8
124.56878	2.1
128.06236	5.8
129.07014	6.5
131.04892	2.5
131.08548	10.0
133.06480	7.2
133.10133	13.0
135.08017	7.5
137.05966	4.1
141.06956	4.2
142.04988	2.4
142.07803	7.9
143.08583	15.3
144.06596	3.0
145.06496	10.0
145.10132	12.4
147.08051	10.7
147.11676	2.5
149.05969	4.1
149.09673	4.9
151.07536	2.9
153.06950	2.7
155.08583	6.6
156.09380	7.6
157.10167	25.1
157.45421	2.3
159.08041	11.5
159.11728	7.0
161.06010	4.3
161.09634	8.3
163.07524	5.8
163.11182	3.5
165.09105	2.6
166.07762	2.2
167.08585	5.0
168.09340	3.0
168.48425	2.3
169.08949	2.6
169.10159	16.7
170.10896	10.3
171.08066	7.1
171.11702	39.0
172.08826	3.7
173.06084	2.4
173.09668	14.0
175.07570	3.7
177.09114	4.7
179.07103	3.5
179.08559	4.6
181.10123	5.7
183.08069	4.0
183.11711	27.3
184.12346	2.6
185.09618	8.1
185.13293	29.2
187.11168	6.0
191.07080	3.8
193.10167	4.5
194.10873	3.2
195.11725	9.6
197.09648	6.6
197.13261	6.4
198.10315	4.2
199.11237	12.2
201.12791	3.1
205.10257	2.9
205.12187	3.3
206.10966	2.7
207.11809	5.6
209.09705	3.0
209.13298	3.4
211.11156	10.1
211.14891	4.0
213.12750	25.4
215.10687	4.1
217.10312	3.8
217.12212	3.4
218.10841	3.9
219.11752	6.2
220.12447	5.1
221.13293	9.8
222.13971	3.9
223.11317	4.8
225.12787	3.8
229.12199	3.7
230.10820	3.6
231.11728	7.0
231.13809	4.4
232.12459	6.2
233.09616	2.9
233.13332	7.0
234.14026	2.7
235.11163	3.5
235.14844	6.3
237.12701	2.8
239.10776	2.3
241.12289	7.4
243.11687	6.1
243.13914	5.8
244.12491	4.1
245.13234	7.3
245.15424	19.5
246.14093	5.5
247.11183	3.2
247.14833	7.0
248.15443	3.0
249.12717	3.0
249.16347	8.5
251.14346	2.8
255.13770	3.2
259.14847	7.5
260.12201	3.0
260.15637	2.5
261.12787	7.9
261.16422	12.8
263.14319	4.2
263.18118	5.0
269.13242	2.6
271.14932	3.4
272.15543	3.7
273.12360	2.7
273.14996	9.4
274.13550	3.8
275.17929	4.9
277.16034	3.9
279.17416	3.2
287.14322	4.9
287.17783	3.8
288.15054	2.8
289.15884	2.7
291.17441	5.8
293.15295	2.5
299.14267	3.2
301.15958	5.2
303.17477	3.6
305.18817	2.5
313.15759	2.9
315.17471	7.7
317.15515	2.6
319.16757	5.3
321.18552	7.4
323.20035	3.2
325.15717	2.6
331.16757	5.1
333.18344	7.6
335.20023	5.5
339.17114	2.5
343.17004	6.1
345.18524	4.4
347.16196	2.8
349.17923	5.3
351.19595	6.6
357.18347	6.9
359.16446	2.8
361.17926	9.0
365.21088	4.1
373.18109	5.5
375.19540	9.7
377.17206	3.1
385.18027	5.2
387.19571	3.6
391.18939	5.0
393.20377	7.2
403.19067	5.5
405.20511	5.4
409.20151	2.8
411.21561	6.8
417.20538	9.5
421.20065	5.6
423.21631	3.3
425.22998	3.7
435.21707	15.6
439.20813	4.1
453.22626	17.5
463.09857	2.5
471.23425	4.4
477.22491	3.6
495.23706	5.0
513.24976	5.7
537.25085	3.0
555.25702	6.4
573.26843	5.7
655.30774	4.2
673.33447	4.1
681.15179	2.7
703.51703	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	691.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.0
55.01874	5.0
55.05313	3.9
55.05513	49.5
57.03444	5.3
65.03910	4.2
67.05507	25.2
69.03429	9.5
69.07034	6.7
70.25979	11.5
71.04985	4.2
79.05498	25.4
81.03407	10.8
81.07079	26.2
81.73418	3.9
83.04984	86.5
83.08604	4.9
91.05478	45.9
93.07043	25.3
95.04981	20.9
95.08607	10.2
97.02869	4.6
97.06535	7.0
98.20851	6.4
103.05494	29.6
105.03407	75.0
105.04502	8.0
105.07033	60.9
107.04936	8.6
107.08592	19.6
109.06508	10.7
109.10154	11.0
115.05462	20.1
117.07039	22.5
119.04977	10.1
119.08594	57.3
121.06472	7.7
121.10119	9.3
128.06203	13.1
129.07037	24.2
131.04936	42.5
131.08568	52.6
133.06483	28.3
133.10141	56.2
135.08049	17.1
135.11688	3.9
139.69328	4.3
141.06981	9.5
142.07796	18.1
143.08542	36.1
144.09311	4.7
145.06503	17.4
145.10152	28.7
146.07307	4.7
147.08018	29.6
148.32053	5.0
149.09688	25.1
153.06970	6.4
155.08554	19.0
156.09341	24.8
157.06563	7.5
157.10156	68.4
159.04416	6.3
159.08006	21.5
159.11702	30.7
161.05933	27.0
161.09607	19.6
163.07541	10.1
163.11208	10.5
165.06981	9.9
167.08577	13.4
168.09358	8.5
169.06502	5.6
169.10124	32.4
170.10898	20.8
171.08055	15.9
171.11705	100.0
173.06030	8.7
173.09648	20.7
173.13242	11.5
175.07590	27.2
175.11177	5.2
177.09111	11.8
179.06963	7.8
180.09326	6.5
181.10138	16.2
183.08122	7.8
183.11694	79.9
185.09665	30.9
185.13257	75.5
187.07579	6.5
187.11107	11.9
187.14908	6.3
189.05539	8.8
191.07037	8.3
192.09326	6.4
193.08644	11.5
193.10143	11.6
195.08026	5.9
195.11786	22.8
196.08688	5.2
197.09608	18.8
197.13362	21.8
199.11243	24.1
201.09135	5.3
201.12752	12.1
203.10547	6.2
205.10184	6.3
205.12173	5.4
206.10883	10.9
207.11615	25.6
209.09631	10.9
209.13281	15.8
211.11163	18.3
211.14761	5.7
212.11948	5.4
213.09164	12.1
213.12744	54.8
215.10530	10.7
217.12105	6.7
218.10936	6.5
219.11714	13.4
220.12405	7.5
221.13298	25.0
222.14130	5.2
223.11188	9.3
223.14748	8.4
225.12575	6.3
229.10208	7.7
229.12230	15.3
229.14307	9.9
230.10896	7.3
231.11655	16.1
231.13829	10.7
232.12407	11.2
233.13188	14.2
233.15335	9.0
235.11197	8.0
235.14824	15.0
236.15550	4.8
237.12755	8.7
241.12253	14.1
243.11670	16.1
243.13853	17.7
244.12439	10.7
245.13222	16.1
245.15436	29.6
246.14023	8.8
247.11154	7.2
247.14883	14.9
249.12656	6.1
251.10707	7.7
253.10080	4.9
255.11644	5.6
255.13927	8.1
256.12485	4.9
257.13263	13.4
258.14029	11.5
259.15189	8.4
260.11902	5.5
261.12610	12.7
261.16376	8.0
265.12115	5.6
268.12445	7.9
269.13281	12.4
269.17517	15.3
270.14026	9.5
271.14706	12.6
272.15643	9.9
273.14786	40.3
275.14362	5.8
275.17667	5.0
277.15823	5.2
281.13242	5.5
282.13947	10.8
283.11087	5.4
283.14780	6.7
284.11859	6.1
284.15494	9.4
285.13065	6.4
285.16403	15.5
286.13483	4.9
287.14362	9.0
288.15024	5.2
295.14490	4.9
297.12775	7.4
299.14359	8.2
301.12167	8.4
301.15872	10.9
303.13721	8.3
303.17316	9.2
309.16458	5.0
312.76801	4.5
313.15778	10.9
315.13824	10.5
315.17322	8.0
317.15289	6.0
317.18851	6.1
319.16855	10.9
326.13031	5.8
327.17270	14.1
329.15302	12.2
331.16827	18.5
340.14325	8.4
341.15305	11.7
343.16888	10.4
345.14755	7.7
345.18558	18.5
347.16263	19.2
349.17892	16.3
355.16876	17.2
359.16385	27.8
361.18088	13.4
363.19473	14.7
371.16409	5.3
373.18063	47.1
377.17358	24.1
383.16293	16.8
389.17429	13.0
391.19025	36.5
401.17313	43.9
403.19275	11.4
405.20578	11.7
409.19937	13.2
415.18826	7.3
419.18613	47.1
421.19943	18.9
423.21652	18.0
423.26840	5.7
433.20065	53.8
437.19870	9.6
439.21036	8.1
451.21207	66.3
469.21939	6.3
495.29227	8.5
533.24945	4.7
537.23895	4.7
659.28821	6.8
691.31268	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	16.6
55.01867	7.6
55.05513	56.5
62.24516	5.5
67.05504	15.3
69.23337	11.2
69.23740	30.7
79.05500	24.5
81.03412	8.3
81.07051	18.7
81.46037	4.5
83.04991	93.6
91.05465	42.6
91.53941	4.4
91.78288	4.5
93.07052	35.9
95.04980	19.8
95.08607	25.2
97.06586	4.9
97.85998	4.6
103.05457	5.3
105.03400	66.7
105.04520	4.3
105.07037	57.3
107.05017	6.1
107.08601	33.7
108.53355	4.3
108.80334	4.1
109.06532	11.5
112.45345	4.8
115.03963	5.6
115.05472	10.1
117.06998	22.6
119.04937	4.5
119.08579	53.8
121.06521	13.9
121.10151	21.0
123.08066	11.7
128.06230	8.2
129.07025	13.7
131.04933	7.9
131.08588	38.6
133.06544	22.2
133.10146	76.5
135.08063	25.6
137.09482	5.5
141.06924	10.4
142.07773	16.9
143.08549	37.5
145.06490	12.1
145.10172	34.4
147.08075	33.8
147.11679	8.0
149.06026	7.0
149.09633	44.4
151.07555	5.5
153.09140	4.2
154.07816	5.1
155.08566	21.8
156.09344	27.2
157.10133	70.0
159.08067	20.3
159.11681	16.6
161.05986	11.1
161.09639	24.6
163.07594	7.5
163.11200	14.5
165.07022	7.5
165.09036	6.0
166.07846	7.5
167.08578	11.1
168.09309	4.9
169.10143	36.8
170.10872	19.7
171.08066	19.0
171.10260	6.5
171.11708	100.0
173.09622	30.3
173.13330	7.5
175.07553	19.3
175.11201	10.4
179.07069	5.4
179.08504	8.9
180.09323	6.9
181.10110	19.9
182.10934	6.3
183.11707	74.8
184.08830	4.8
184.12447	9.2
185.09619	14.4
185.13268	52.5
187.11214	21.6
187.14853	5.7
189.09158	7.2
192.09187	5.7
193.08595	10.8
193.10132	18.0
194.10855	6.4
195.08133	6.1
195.11732	19.7
197.09656	15.5
197.13193	25.8
199.11205	33.0
201.12782	12.9
203.08673	7.0
203.10710	6.8
205.10234	8.0
205.12213	9.6
206.10866	12.2
207.06665	5.6
207.11650	23.7
209.09636	9.5
209.13284	11.4
211.11240	19.9
211.14839	5.7
213.09271	9.0
213.12761	64.9
215.10657	6.9
215.14456	7.4
216.09428	5.1
216.31546	5.6
217.10228	11.5
217.12228	9.7
218.11034	6.8
219.11723	11.6
220.12489	10.6
221.09723	7.1
221.13315	24.6
223.11235	12.0
225.12762	7.6
227.10564	8.5
229.10229	6.5
229.12267	9.6
230.10938	5.7
231.11711	13.2
231.13855	11.6
232.12595	8.3
233.09641	6.4
233.13255	18.5
234.14125	12.5
234.76085	4.8
235.11250	6.2
235.15004	11.8
237.12747	7.1
239.14331	5.2
241.12260	18.2
243.11678	12.2
243.13857	14.2
244.12491	17.9
245.13277	15.4
245.15439	26.9
246.14056	13.2
247.11188	8.9
247.14825	17.3
248.12144	5.7
248.15591	8.3
249.12732	12.9
249.16467	27.4
250.13531	6.2
251.14304	9.4
255.14072	7.6
256.12637	6.3
257.13272	13.0
258.14041	8.9
259.11304	5.4
259.14877	30.4
260.15622	10.7
261.12753	10.4
261.16583	21.5
262.13516	7.2
263.18008	6.5
265.15884	5.6
271.14728	15.2
272.15643	9.1
273.14487	22.8
273.17120	5.7
274.13333	5.6
275.14352	14.2
275.17804	7.7
276.15244	7.0
277.15881	15.8
279.13925	7.5
284.15564	5.5
285.13120	6.8
285.16443	18.1
286.13492	6.3
287.14291	12.2
287.17902	6.4
288.15073	8.0
289.15955	12.8
291.17526	13.4
296.15436	6.9
300.15067	9.0
301.12613	6.4
301.15878	13.0
301.19183	4.8
303.17487	21.1
305.18970	11.1
307.16751	5.6
313.15842	7.1
315.14038	5.5
315.17459	20.3
317.18918	8.8
319.16992	12.9
319.20639	5.8
321.18625	7.9
323.19974	6.0
327.17596	7.5
329.19073	10.1
331.16934	16.4
333.18561	17.0
345.18408	10.7
347.16342	11.2
347.20111	8.3
349.18069	22.9
351.19537	12.5
355.16785	7.9
357.18851	8.7
359.16525	26.5
363.19553	16.3
367.18994	10.7
369.20471	16.2
373.18051	27.6
375.19574	12.2
377.17426	31.1
381.20554	9.9
389.21301	10.2
391.19031	50.8
395.18393	10.1
401.17395	9.8
405.20514	7.1
407.22623	6.0
409.20139	18.6
415.19492	8.2
419.18558	36.1
421.20007	8.8
423.21655	24.7
433.20059	34.6
437.19690	13.1
441.22525	12.3
451.20892	67.5
469.22125	53.2
569.27509	16.1
600.71143	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	691.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.6
52.13628	1.6
53.03942	9.8
55.01872	5.1
55.05516	22.6
57.54255	1.7
65.03928	2.1
67.05529	8.5
69.03414	4.5
69.07063	3.4
71.55608	2.2
77.03931	3.4
79.05495	18.5
81.03418	5.7
81.07066	9.2
83.04987	38.2
85.02919	1.9
88.27782	1.6
91.05472	28.9
93.07037	14.5
95.04978	13.0
95.08614	6.9
97.06551	3.5
103.05471	67.6
105.03391	52.6
105.04514	4.2
105.07032	40.4
107.04977	6.3
107.08605	12.4
109.02888	2.2
109.06537	5.8
109.10188	1.8
111.08055	2.1
115.05429	10.8
116.06228	5.1
117.07018	15.2
119.04958	4.0
119.08591	33.1
121.06494	9.0
121.10130	8.1
123.08061	3.1
125.05975	3.2
128.06226	7.6
129.07030	8.8
130.07782	2.4
131.04930	100.0
131.08577	26.9
133.06517	20.5
133.10135	35.7
135.04419	2.9
135.08063	5.5
135.11707	1.6
136.97971	1.7
141.06985	9.7
142.07782	11.5
143.08566	24.6
144.09355	3.1
145.06471	9.5
145.10126	14.2
147.04410	1.9
147.08051	20.6
147.11728	2.8
149.05992	7.2
149.09621	8.6
151.07492	1.7
153.06956	4.9
154.07787	3.1
155.08585	11.7
156.09358	19.7
157.06517	3.9
157.10141	37.5
158.07297	2.2
158.10869	2.6
159.04433	3.5
159.08080	19.8
159.11690	13.6
161.06000	24.3
161.09631	10.9
163.07530	7.3
163.11206	6.4
165.06998	5.8
165.09184	2.6
166.07834	3.2
167.08578	6.4
168.09431	3.8
169.10139	23.1
170.10893	16.7
171.08113	11.1
171.11697	61.8
172.08809	3.2
172.12180	2.7
173.06007	4.1
173.09645	16.3
173.13234	8.3
175.07533	14.4
175.11211	3.8
177.05452	3.6
177.09126	6.6
178.07796	2.3
179.07014	5.6
179.08553	8.7
180.09322	3.9
181.08641	2.3
181.10109	13.4
182.10947	3.7
183.08107	9.0
183.11690	49.9
184.08841	4.7
184.12373	4.0
185.05980	4.0
185.09648	20.1
185.13261	36.0
187.07539	9.9
187.11099	10.4
189.05539	3.4
189.09093	5.4
191.06970	3.5
192.09351	3.0
193.08522	4.2
193.10110	7.8
195.07990	3.4
195.11713	11.9
196.08824	2.1
196.12437	2.4
197.09564	13.7
197.13261	11.6
198.10429	4.8
199.07495	4.8
199.11169	22.8
200.11920	7.2
201.09035	3.9
201.12732	11.1
203.08621	4.8
203.10626	4.2
205.08411	2.1
205.10190	3.6
205.12236	4.6
206.10957	5.0
207.08209	2.4
207.11661	11.1
208.12485	2.7
209.09662	7.5
209.13322	4.7
210.10400	4.1
211.07709	3.0
211.11168	17.3
212.11913	2.0
213.09160	11.4
213.12726	37.1
214.09587	1.9
214.13379	3.3
215.08685	3.7
215.10727	4.4
215.14388	3.9
216.09358	2.5
217.08559	5.3
217.10365	2.3
217.12262	4.3
218.10904	4.9
219.11751	5.6
220.12500	5.9
221.09662	4.4
221.13249	12.4
222.10384	2.8
222.14014	2.1
223.11224	9.2
224.11888	2.2
225.09132	4.8
225.12718	5.0
227.10661	23.0
229.10275	3.2
229.12289	6.1
230.10898	4.8
231.11693	10.0
231.13866	6.1
232.12456	5.9
233.09634	3.0
233.13245	6.6
233.15318	2.6
234.10530	2.3
234.13989	2.7
235.11153	6.0
235.14842	6.8
237.09151	2.6
237.12712	5.9
239.10677	6.2
241.08366	2.3
241.12114	8.7
242.10858	4.3
242.13058	2.8
243.11659	5.5
243.13759	13.0
244.12480	8.6
245.07957	2.1
245.13271	8.5
245.15450	14.4
246.10396	2.4
246.14113	4.6
247.11186	4.2
247.14836	6.0
248.12027	3.1
249.09004	2.4
249.12814	5.0
249.16364	2.8
251.10649	8.4
251.14294	3.7
253.12340	2.4
255.11717	6.1
255.13879	5.1
256.12473	6.2
257.13507	10.0
258.13947	9.1
259.11154	3.5
259.14749	7.1
260.11899	1.8
260.15552	2.2
261.12680	4.2
261.16537	4.5
263.10712	3.9
263.14246	4.2
265.12207	2.9
267.13922	2.8
268.12421	3.0
269.13403	9.8
270.14011	14.0
271.10956	3.2
271.14914	6.5
272.12003	3.4
272.15485	5.1
273.11853	3.8
273.14590	18.8
274.13583	4.1
275.10641	2.4
275.14151	3.4
275.17920	3.4
277.12158	3.3
277.15775	2.2
278.16632	2.1
280.12338	2.6
281.13269	2.8
282.13757	2.1
283.11124	4.5
283.14832	7.0
284.12112	3.1
284.15646	5.5
285.12933	2.7
285.16360	11.1
286.13434	4.7
286.16879	3.0
287.12714	5.0
287.17740	3.4
288.15109	3.4
289.12250	5.2
289.15714	6.2
289.18930	1.9
291.16211	2.6
293.15439	2.0
295.14594	3.3
296.15521	2.5
297.12625	5.9
297.16147	3.7
298.13556	6.2
299.14575	4.5
299.18033	8.1
301.12329	4.4
301.15860	8.1
301.19278	2.6
302.16562	2.1
303.13696	4.6
303.17441	6.0
305.15009	5.4
311.10666	2.2
311.14084	2.8
312.15054	6.1
313.12363	2.6
313.15805	14.4
314.12936	2.8
314.16498	2.3
315.13715	4.1
315.17236	2.5
316.14627	2.6
317.15271	6.8
317.18805	4.0
319.16913	4.2
321.11319	2.0
321.14807	4.5
321.18384	2.7
325.12305	2.6
325.15845	3.5
327.13937	2.8
327.17398	10.1
329.15295	9.8
329.18765	2.7
330.16031	4.5
331.16815	18.9
333.14526	2.6
335.16226	2.1
340.14401	3.2
341.15198	13.9
343.16940	6.4
345.14706	4.8
345.18509	15.8
347.16241	7.7
347.19934	2.0
349.18005	7.8
355.16907	19.5
357.14838	3.6
357.18771	4.0
359.16370	26.5
359.20276	1.8
360.17285	1.9
361.18030	4.4
363.19525	7.7
365.17114	1.8
371.16312	3.7
373.17996	32.3
375.15613	2.3
375.19846	3.8
377.17453	17.2
377.21338	2.8
379.18628	2.5
383.16367	6.2
387.19537	6.2
389.17407	6.4
391.19104	23.0
393.20706	2.1
401.17487	26.4
403.19281	8.1
405.20660	21.2
407.18271	2.7
409.20114	2.6
415.19141	11.6
419.18488	26.5
421.19992	9.3
423.21875	12.8
433.20178	52.5
437.19690	5.0
447.18527	3.2
451.21182	50.0
469.22470	10.0
483.20160	2.4
533.25623	3.1
551.26318	4.7
555.23932	2.0
573.24817	3.9
691.29120	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	691.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39035	3.6
53.03940	9.6
55.01877	4.4
55.05512	43.7
67.05496	14.7
69.03428	8.3
69.07064	7.6
79.05491	15.5
81.03387	7.9
81.07058	14.4
83.04984	68.9
91.05485	38.4
93.07058	25.7
95.04964	14.8
95.08601	11.2
103.05472	19.5
105.03404	73.2
105.07042	54.3
105.55692	4.2
107.04945	6.5
107.08588	16.2
109.06508	9.7
115.05448	11.6
117.07001	24.4
119.04962	5.6
119.08591	57.4
121.02863	9.4
121.06494	7.0
121.10130	12.3
128.06236	11.0
129.07031	19.3
131.04926	32.3
131.08574	35.1
133.06528	27.6
133.10155	70.6
135.08031	15.5
141.07007	12.8
142.07759	14.0
143.08589	28.2
145.06482	20.8
145.10133	32.5
147.08099	26.8
147.11682	6.8
149.09644	21.6
151.07646	4.5
153.06927	5.3
154.07782	5.9
155.08563	19.9
156.09354	22.2
157.10138	69.9
159.08075	18.0
159.11716	32.7
161.06020	35.5
161.09634	15.6
163.07591	7.6
163.11163	6.8
165.09180	4.9
166.07744	5.3
167.08554	10.3
168.09317	6.6
169.06631	5.3
169.10139	45.2
170.07295	5.1
170.10933	18.4
171.08049	15.8
171.11694	100.0
172.12132	3.9
173.05946	4.7
173.09647	19.6
173.13292	11.6
175.07518	21.5
175.11133	7.6
177.09099	14.4
179.07034	10.6
179.08545	10.0
180.09286	8.7
181.10114	19.1
182.10925	5.5
183.08118	9.9
183.11688	81.7
184.08762	4.9
184.12331	5.6
185.09610	24.3
185.13275	69.6
187.07542	9.7
187.11223	15.3
189.05452	4.9
189.09180	6.7
191.07036	7.2
192.09303	5.8
193.08553	11.6
193.10179	13.5
194.10922	5.7
195.07997	5.5
195.11711	20.4
196.12494	4.9
197.09613	14.5
197.13263	22.4
198.10385	6.7
199.07657	7.9
199.11197	28.0
200.12016	4.6
201.09091	5.0
201.12726	12.3
203.06924	6.1
203.10587	4.8
204.09351	5.0
205.10181	6.0
205.12071	4.9
207.11662	17.3
209.09641	6.7
209.13205	14.0
211.11201	17.4
212.12045	4.6
213.09120	15.2
213.12790	67.4
217.12262	5.7
218.10915	4.7
219.11763	10.1
220.12494	9.3
221.13216	19.8
222.13986	5.4
223.11174	15.2
223.14824	7.2
225.08997	5.7
225.12801	5.1
225.91873	4.2
227.10794	4.7
229.12279	10.7
231.11691	13.3
231.13812	11.6
232.12405	9.9
233.09680	5.4
233.13231	18.4
233.15331	6.9
234.13942	7.1
235.11195	7.6
235.14821	9.6
237.09085	4.7
237.12730	10.0
239.10866	6.7
239.14240	5.8
241.12277	17.2
243.11647	12.6
243.13889	14.1
244.12488	7.3
245.13170	17.2
245.15401	31.9
246.13911	7.2
247.11180	6.0
247.14821	9.5
249.12672	7.0
255.11609	8.9
255.13898	10.1
256.12524	12.3
257.13214	15.8
258.14020	14.4
259.15112	8.5
260.15604	9.1
261.12558	6.0
261.16467	7.6
269.13235	10.8
270.13983	11.6
271.15018	8.2
272.15588	6.2
273.12399	7.1
273.14822	45.2
274.13699	5.3
275.14175	6.5
277.12155	5.2
283.11136	7.4
283.14551	8.3
284.15533	5.4
285.12961	9.4
285.16397	20.7
286.17059	4.8
287.14252	4.9
287.17822	5.9
288.15173	6.1
293.11600	4.6
295.14804	5.6
297.12881	9.4
298.13522	9.2
299.14346	12.1
299.17953	6.4
301.12463	6.3
301.15912	16.1
303.13916	9.2
303.17307	9.0
305.15475	6.2
313.12271	5.0
313.15854	18.6
315.13620	4.5
315.17307	5.1
317.15344	7.0
317.19070	7.6
319.16922	8.1
326.13043	8.3
327.13730	5.4
327.17416	11.9
329.15396	11.9
331.16843	23.2
333.18463	6.4
341.15485	21.9
343.16718	9.2
345.14847	5.6
345.18512	21.7
347.16418	23.5
347.19940	5.4
349.17941	17.8
355.16913	17.4
359.16446	36.1
361.18079	11.4
363.19553	12.8
365.17477	4.6
371.16251	11.5
373.18002	41.4
375.19501	5.4
377.17288	25.1
383.16315	13.8
387.19193	6.2
389.17538	13.0
391.18985	38.7
401.17438	55.4
403.19177	8.3
405.20663	17.6
409.20148	6.3
415.19019	11.1
419.18576	60.9
421.20398	26.3
423.21741	31.1
433.20123	57.4
437.19479	14.5
451.21133	63.0
469.22263	10.8
495.29169	5.1
641.27472	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	691.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.05501	4.3
67.05510	2.5
69.03429	3.0
79.05482	5.5
81.03429	1.9
81.07050	4.1
83.01328	1.3
83.04990	7.3
84.02582	1.2
85.02922	1.7
91.05495	14.2
93.07031	3.9
95.04971	8.3
95.08600	2.9
97.06524	1.3
103.05474	53.0
105.03390	10.9
105.07037	15.6
107.04954	2.2
107.08566	4.0
109.06516	4.4
111.04448	6.3
115.05468	5.9
116.06277	1.6
117.07023	18.2
119.04875	1.9
119.08593	16.5
121.06510	4.6
121.10149	1.3
125.02312	1.3
125.05969	2.8
128.06224	3.8
129.06987	7.5
130.07817	1.1
131.04939	100.0
131.08588	9.6
133.06491	7.2
133.10118	5.8
134.07271	2.7
135.08032	5.0
137.06000	2.9
141.06996	2.8
142.07782	4.2
143.08589	10.1
145.06500	13.1
145.10146	10.3
147.08035	5.4
147.11707	1.8
149.05954	1.4
149.09608	5.3
153.06949	1.3
154.07802	1.6
155.08604	6.1
156.09335	3.8
157.06529	2.8
157.10133	17.9
159.08034	10.0
159.11719	11.6
160.05171	1.6
161.05969	8.3
161.09631	5.4
162.06750	4.9
163.07562	6.4
165.07059	3.1
165.09155	1.2
167.08557	3.0
168.09306	1.6
169.10162	10.1
170.10875	3.4
171.08055	2.4
171.11714	13.8
172.08781	2.2
173.05980	1.7
173.09634	9.5
173.13274	3.4
174.06688	1.2
175.07561	13.4
175.11264	1.3
176.08279	2.7
177.07617	2.4
177.09123	32.5
178.06261	3.8
179.08559	3.3
180.09351	1.7
181.10103	3.4
183.08159	2.3
183.10223	2.1
183.11714	21.3
184.61943	1.4
185.09628	6.1
185.13315	10.5
186.10333	1.4
187.07573	2.2
187.11221	8.2
189.05428	2.1
189.09122	11.4
191.07042	1.6
191.08890	2.0
191.10670	8.6
193.08601	11.0
193.10156	4.0
195.11652	4.9
196.08780	1.5
197.09645	7.2
197.13310	3.4
199.11198	6.5
201.09109	4.3
201.12737	10.3
203.06996	1.6
203.08916	1.8
203.10539	7.5
205.08583	4.5
205.12212	1.5
206.10844	2.7
207.11737	3.9
209.09627	1.5
209.13257	2.5
211.11206	7.0
213.09146	3.1
213.12761	6.6
215.10695	3.3
217.10333	1.6
217.12108	1.9
220.12323	2.0
221.09639	1.7
221.13272	5.3
223.11208	3.1
223.14673	2.1
225.09050	2.1
225.12749	3.1
229.12204	8.2
230.11015	1.8
231.11853	2.6
233.13420	2.4
233.15425	2.6
235.11147	3.1
235.14781	2.8
239.10666	3.1
241.12300	2.8
243.13812	4.5
244.12434	1.7
245.11481	2.2
245.15501	3.1
246.10405	1.4
246.14059	2.9
247.11159	2.6
248.11711	1.7
251.14348	2.6
253.12274	2.3
254.10597	1.7
257.13483	1.5
258.14124	2.1
259.14905	2.6
260.12000	1.4
261.12631	1.8
261.14914	2.2
265.12109	2.0
269.13083	1.7
270.14056	3.4
271.15036	1.5
273.12717	1.7
273.16492	1.3
277.15747	1.4
279.13828	2.3
285.12692	1.5
285.16406	2.3
285.38620	1.2
287.14169	3.5
289.14395	4.0
291.13589	1.7
298.13446	1.8
299.14371	2.1
299.18115	1.6
301.15787	2.2
303.13980	1.7
303.17300	2.1
305.15460	1.9
307.16928	1.8
313.15857	1.8
316.14709	1.4
319.16571	1.7
321.18427	2.0
327.17419	1.7
329.15335	3.2
331.16861	10.0
333.18402	1.8
337.65845	1.4
345.18634	8.0
347.16422	2.8
349.17889	2.7
355.16876	2.8
359.16241	2.1
359.20142	2.4
363.19449	3.6
373.18063	7.7
377.17166	2.9
377.21460	2.2
387.19574	2.7
389.17422	1.8
391.18958	4.4
401.17313	2.8
405.20670	6.7
415.19080	1.7
419.17834	2.6
419.22632	3.2
423.21799	3.4
433.20059	5.0
437.23087	3.8
447.21719	2.1
451.21274	7.4
455.24130	2.3
465.22891	11.3
483.23926	13.5
543.25610	4.0
631.29291	6.1
659.28064	3.8
673.30243	2.3
691.31390	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	691.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.1
52.14481	1.1
53.03950	9.9
55.01880	1.2
55.05517	1.3
67.05505	3.2
69.03423	1.8
69.07083	1.3
69.20634	7.8
69.21042	3.8
75.55376	1.2
76.55420	1.5
77.03949	2.7
79.05498	4.3
81.03416	1.8
81.07053	3.2
83.04983	4.9
91.05484	11.0
93.07063	4.1
95.04988	9.4
103.05462	4.2
105.03403	100.0
105.04536	6.6
105.07043	10.9
107.08578	2.9
111.04467	2.6
115.05468	11.3
116.06226	1.8
117.07030	24.2
119.08592	11.8
121.06473	2.4
121.10128	2.1
128.06227	4.4
129.07047	6.4
130.07780	1.4
131.04958	7.8
131.08589	8.6
132.05228	2.4
133.06519	3.9
133.10178	7.1
135.08084	2.9
141.07008	2.3
142.07811	5.3
143.04887	1.5
143.08556	8.2
145.06491	17.0
145.10118	7.2
147.08040	8.0
149.05986	1.3
149.09618	3.8
155.08597	6.6
156.09335	6.2
157.06532	2.9
157.10150	13.2
158.07310	1.7
159.08092	8.0
159.11702	2.0
161.05992	4.5
161.09659	5.7
162.06795	2.7
163.07552	2.9
163.11205	2.1
165.07037	2.8
165.09157	3.8
167.08705	1.4
169.10110	8.3
170.10913	6.2
171.08031	6.7
171.11705	24.9
172.12178	1.3
173.06006	25.2
173.09602	4.9
175.07628	5.9
175.11269	2.1
177.09125	15.0
179.08551	2.4
179.10785	1.4
180.09286	1.5
181.10144	2.8
183.08090	3.1
183.11702	12.3
184.08871	2.9
185.09673	4.9
185.13271	22.7
187.07545	1.3
187.11171	2.4
189.05461	1.5
189.09119	4.9
191.10709	4.5
193.10277	2.2
195.08020	1.9
195.11717	4.8
197.09627	3.3
197.13239	2.9
199.11247	6.6
201.09077	1.3
201.12814	2.7
203.10652	3.3
205.08618	7.9
205.12265	1.8
207.10065	2.9
207.11745	2.9
209.09601	1.5
209.13278	2.1
211.11185	4.5
213.09219	1.8
213.12741	19.5
215.10664	3.2
217.10295	1.7
218.10918	1.4
219.11732	1.4
220.12584	1.6
221.09674	1.9
221.13217	2.4
223.11166	1.6
229.10236	2.3
229.12259	3.2
230.10927	2.4
231.11786	2.8
231.13786	2.7
233.09654	1.8
233.13470	2.9
235.11166	1.6
237.12659	1.9
241.12242	2.2
242.10774	1.5
243.11836	2.8
243.13983	2.4
244.12340	1.6
245.13359	2.0
245.15421	12.1
247.11145	1.7
249.12798	2.3
253.10085	1.8
255.11633	2.2
256.12448	2.6
257.13440	3.2
258.13943	1.8
259.11130	2.3
259.14993	1.8
260.15579	1.7
267.11700	3.2
270.14105	1.6
273.14828	6.9
275.14349	1.5
281.13333	1.5
282.13983	1.8
283.11288	1.9
283.14871	2.0
284.12164	1.5
284.15637	1.5
285.12686	3.2
285.16171	2.0
286.13492	2.3
287.14346	2.7
287.17819	1.9
289.15677	1.3
297.13120	2.1
297.16357	3.0
298.13571	1.7
299.11057	1.3
299.14267	3.7
299.17770	1.5
300.15341	2.4
301.12473	2.1
301.15884	2.8
303.13803	1.9
309.12036	1.7
310.13431	2.4
311.14172	2.4
312.15158	1.9
313.15829	4.7
314.16525	1.6
315.14056	2.7
315.17484	6.2
317.15707	1.6
324.15161	1.8
325.15930	3.6
326.16473	1.9
327.13834	2.4
327.17444	8.2
329.15479	1.7
329.18988	4.7
331.16891	2.6
339.17416	5.3
342.16226	1.5
343.16974	6.8
344.17999	1.8
345.14691	1.6
345.18552	2.4
351.19769	1.4
355.16992	1.4
357.15088	1.2
357.18582	9.7
363.15857	1.6
367.17255	2.5
371.19983	1.7
373.17636	2.0
375.19641	2.7
385.18002	4.8
387.19818	2.5
389.21140	4.6
399.19449	4.9
401.17365	1.3
403.19189	3.0
417.20712	18.9
419.22534	1.5
431.22256	3.4
433.20447	1.3
435.21506	5.1
449.23276	5.5
477.22778	9.4
495.23416	1.6
509.25516	3.1
537.24573	4.4
569.27631	5.7
659.28284	3.9
673.29541	3.7
691.31787	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	690.53
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.9
53.11979	5.8
55.05508	23.3
57.03437	12.9
58.59801	5.0
58.88901	5.2
59.29856	5.0
67.05505	85.9
68.05843	10.1
69.07077	17.4
69.19967	55.2
71.04982	8.9
79.05490	67.9
80.05818	7.4
81.07059	100.0
82.07391	18.4
82.27229	4.9
82.88860	5.3
83.08617	16.3
91.04986	8.5
91.05490	60.1
93.07054	75.8
94.01884	5.8
94.07375	13.3
95.04985	10.2
95.08613	58.9
96.08940	15.7
97.06551	9.0
104.06929	5.2
105.07038	40.6
106.07348	7.1
107.08609	38.9
109.10167	16.3
110.10502	5.4
112.08315	5.8
117.07008	15.1
119.08582	25.3
121.10148	54.6
122.10492	8.2
131.08578	23.1
133.10123	23.4
135.11685	32.9
140.52142	6.1
145.10158	14.7
147.11691	16.6
149.13264	8.4
159.11682	9.5
161.13338	10.3
163.63321	5.6
171.11674	5.6
173.13254	9.9
187.14926	6.3
213.54460	5.2
259.20547	12.7
261.22073	16.5
262.22647	9.8
286.33069	5.7
321.23950	7.0
333.24414	13.9
334.24631	17.2
351.25397	34.3
352.25641	18.0
383.11713	5.8
395.28076	27.3
396.28116	37.7
548.09137	6.6
606.69830	6.2
654.47992	6.9
672.48969	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
55.01877	2.6
55.05515	16.4
55.79323	1.0
57.03439	5.0
57.07076	2.3
59.04986	1.0
65.03932	3.4
65.88464	1.0
67.05508	61.4
69.07071	17.1
71.05003	8.0
71.55609	1.0
77.03917	1.1
79.05497	54.5
81.03409	1.4
81.07059	51.0
83.04983	3.6
83.08626	9.2
85.06551	2.3
88.16737	1.0
91.05485	100.0
93.07046	48.7
95.04974	5.0
95.08608	30.8
95.09077	0.7
97.06525	6.0
97.10172	3.9
99.08095	1.3
103.05466	2.3
105.04568	1.5
105.07035	44.7
107.04938	2.8
107.07874	1.3
107.08601	24.3
109.06516	4.1
109.10151	13.6
111.08103	3.3
115.05450	2.3
116.06240	1.5
117.06362	0.6
117.07020	33.5
119.08591	37.0
121.06484	2.0
121.10148	25.1
123.08065	3.6
123.11744	1.4
125.09641	1.0
128.06190	1.8
129.07016	10.1
131.08575	44.8
133.10135	33.5
135.08073	4.4
135.11708	10.9
137.09618	2.1
141.06987	3.7
142.07707	1.2
143.08549	7.8
145.10127	25.3
147.08101	1.9
147.11685	15.2
149.09612	3.6
149.13251	4.1
155.08574	3.1
157.10120	11.3
159.11673	13.2
161.09648	1.4
161.13264	4.9
163.11194	2.3
169.10153	3.8
171.11702	12.1
173.11852	1.7
173.13268	4.5
177.12798	2.6
181.12277	1.4
183.11639	5.0
185.13225	2.3
187.14839	1.9
189.12784	1.4
193.12221	1.5
195.13791	2.1
197.13260	3.5
205.15788	1.4
219.17496	1.3
229.14314	9.3
229.19565	2.2
237.16591	1.0
239.17947	8.2
247.20627	1.3
249.18489	1.6
257.19037	20.4
259.20547	2.5
275.20065	26.0
313.21713	2.5
331.22647	18.3
337.23563	1.7
339.28955	8.5
349.23749	36.2
350.23953	1.0
363.25269	2.9
381.26349	18.5
417.35034	1.0
425.83621	1.1
493.38660	5.5
513.37823	1.2
579.40393	1.8
597.41565	25.2
598.41492	1.2
605.41992	10.5
611.42682	3.3
623.43048	22.5
637.44409	2.1
655.45660	24.6
690.32880	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.3
55.01865	12.6
55.05511	12.7
57.07069	15.7
67.05497	14.5
69.03430	9.0
69.07053	6.9
70.98846	10.5
79.05494	12.8
81.03419	14.5
81.07066	11.7
83.04979	25.9
90.79879	4.0
91.05494	35.7
92.05815	8.1
93.07050	15.9
95.04966	13.6
96.09937	4.3
100.55736	3.9
103.05465	54.9
105.03396	54.5
105.07057	25.9
106.03721	17.8
106.07429	5.8
107.04942	6.8
107.08622	7.6
107.70106	3.9
115.05444	14.9
117.07025	15.1
119.08569	24.0
120.08932	9.9
121.06447	5.6
123.11543	4.4
128.06230	6.1
129.07063	22.5
131.04024	7.6
131.04947	100.0
131.08548	18.8
133.10136	19.7
135.08090	4.7
135.86723	5.0
142.07808	6.6
143.08585	17.1
144.08891	5.7
145.06476	16.1
145.10165	11.5
146.10516	5.7
147.08067	79.4
148.08362	9.9
149.09662	10.4
152.10768	6.1
155.08511	5.8
156.09349	13.2
157.10182	28.1
159.08076	32.1
159.11780	8.1
160.08469	5.1
161.09604	27.0
162.09987	6.3
163.07542	38.6
169.10129	19.8
170.37195	4.5
171.08063	9.9
171.11745	40.4
172.12024	12.7
173.09683	20.6
173.13293	7.4
174.06374	4.9
175.07561	6.5
179.08568	5.4
181.10040	6.3
183.11732	26.9
184.12186	6.1
185.09645	15.6
185.13307	28.1
186.13551	7.9
187.11079	7.6
189.09163	5.2
195.11833	5.6
197.09608	4.8
197.13242	6.5
199.11208	17.2
207.11731	6.6
211.11035	10.5
213.12794	22.0
217.12204	8.5
229.12111	7.0
231.11719	5.6
231.13799	14.9
232.14114	11.6
233.15466	5.1
241.12274	13.3
245.15318	15.5
246.33284	5.2
254.10667	4.8
255.11452	5.9
259.13263	14.3
260.13715	7.2
273.15002	7.6
276.14926	7.2
291.16061	8.2
315.17200	5.5
318.18787	5.1
327.13525	5.6
327.17413	6.6
328.13956	4.6
329.18549	5.8
341.19125	7.1
345.18518	5.6
359.19977	5.2
370.18741	5.6
375.19791	6.3
376.20062	5.2
387.19427	15.6
388.19901	17.2
389.20352	7.7
401.21124	12.4
405.20343	5.8
406.20779	21.5
407.21835	12.1
408.22134	5.5
419.22449	26.3
437.23245	13.3
464.21417	4.5
479.24582	5.5
497.25583	6.7
506.23096	5.1
507.23022	5.6
537.23999	7.8
538.25275	21.0
539.25677	41.8
590.27460	4.9
594.24133	14.8
626.26312	12.4
645.30664	8.4
672.31281	7.3
690.33221	70.0
717.40259	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	690.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33995	1.5
53.03942	4.1
55.01877	4.0
55.05516	62.7
56.05843	1.8
65.03928	2.0
67.05509	5.6
69.03427	3.1
69.07079	3.4
70.17464	3.1
70.17867	3.8
79.05495	11.0
81.03414	5.7
81.07082	9.0
83.04986	100.0
84.05305	3.3
86.06070	4.5
91.05490	16.8
91.61140	1.7
93.07053	10.0
95.04973	5.5
95.08602	6.1
99.04459	2.4
103.05485	3.8
103.82968	1.6
105.03387	6.1
105.07046	22.1
107.04949	3.5
107.08588	7.6
109.02956	1.7
109.06491	3.7
115.05491	9.9
116.10752	7.9
117.07010	21.9
119.04911	2.4
119.08579	20.7
121.06477	3.3
121.10143	5.7
123.08052	3.3
126.05544	2.0
127.92478	1.7
128.06229	6.3
129.06990	8.0
130.07816	2.8
131.04919	10.3
131.08595	14.4
133.06490	8.6
133.10132	17.6
135.08109	7.9
135.11682	2.8
137.09734	1.7
141.07007	4.0
141.36745	1.9
142.07797	6.7
143.08571	12.1
145.06540	14.7
145.10136	9.8
147.08057	8.8
147.11653	4.2
149.09677	8.0
151.07620	1.6
153.07016	1.9
155.08594	6.6
156.09395	8.4
157.06532	3.2
157.10144	21.2
158.10561	1.9
159.08090	8.6
159.11702	8.8
161.05998	11.8
161.09613	10.4
163.07571	8.3
163.11238	4.4
165.07007	2.9
166.07835	2.1
167.08600	5.0
168.09337	2.4
169.10110	14.3
170.10851	6.6
171.08034	6.2
171.11690	37.3
172.12057	3.7
173.06012	8.1
173.09628	12.1
173.13277	3.7
175.07521	4.7
175.11197	4.0
177.09132	14.2
178.07715	1.9
181.10124	4.4
182.10695	1.9
183.08081	5.2
183.11707	25.2
184.12123	3.0
185.09698	11.7
185.13266	24.6
187.07605	3.2
187.11227	6.9
189.05482	4.4
189.09102	8.7
189.12741	2.1
191.07047	3.1
191.10693	5.3
193.10156	3.4
193.12288	2.4
195.08069	2.1
195.11696	6.9
197.09616	7.2
197.13203	4.3
198.10349	4.0
199.11195	14.3
200.11928	3.1
201.09084	4.7
201.12794	4.8
203.10634	3.2
205.08600	2.5
207.11745	5.4
208.12340	3.4
209.09647	3.4
209.13297	4.6
211.11241	6.0
213.09261	3.8
213.12743	20.2
214.13176	3.0
214.17979	7.7
215.10741	5.1
217.08582	3.5
217.12259	3.9
218.10876	3.5
219.09944	2.0
219.11780	2.5
221.09497	1.8
221.13217	5.4
223.11214	3.7
223.14722	2.5
225.12828	4.1
227.10680	2.5
227.12778	1.9
227.59564	1.7
229.10321	2.2
229.12329	5.9
231.11847	2.8
231.13721	11.5
232.12411	2.1
233.13263	4.6
234.13947	2.5
235.11215	3.3
235.14795	3.1
236.15378	2.1
237.12679	4.2
239.10681	2.4
241.12238	7.2
243.11813	2.8
243.13843	3.3
245.13362	4.2
245.15422	3.7
246.10503	1.8
246.13947	3.2
247.11078	2.4
247.14896	3.6
248.15331	2.1
249.12782	3.4
251.14114	1.8
257.13531	2.3
258.13980	5.4
259.10892	2.8
259.13083	14.0
260.15564	2.0
261.12701	3.1
261.16592	1.9
262.13464	2.9
265.15256	1.7
267.11664	2.2
267.16122	2.5
268.12476	2.2
270.13980	2.6
271.11093	2.4
271.14880	3.7
272.11887	2.0
272.15210	2.9
273.12564	2.8
273.15128	2.4
274.17242	2.0
275.14069	1.9
275.17834	1.9
277.15884	3.2
282.14166	2.9
284.15488	2.5
285.12732	4.4
285.16638	4.6
286.13452	2.0
286.16928	2.2
287.14182	4.7
287.17798	3.7
291.17365	2.1
297.16327	2.1
299.14279	4.8
300.14883	1.7
301.12244	2.2
302.16635	3.7
303.13657	2.1
303.17349	2.7
305.15408	3.0
311.14374	2.7
311.17856	2.4
313.15811	4.2
314.16629	3.3
315.13992	2.2
315.17487	4.8
318.14767	2.3
319.16556	3.0
325.15997	2.9
327.13818	1.9
327.17465	3.1
328.14478	2.4
329.15341	3.2
331.16940	4.0
333.18515	5.0
339.17514	4.1
342.16080	2.1
343.16882	7.5
344.17270	2.3
344.24109	9.3
345.14676	2.7
345.18558	3.1
347.20178	3.9
355.17017	2.0
357.18539	14.1
359.16150	2.2
359.20181	2.7
361.18005	4.6
373.18097	9.8
375.19504	14.4
378.06473	2.1
385.17947	14.2
391.19025	7.8
393.20529	4.8
402.18146	2.1
403.19058	49.1
404.19406	2.6
417.20657	4.3
420.19177	1.9
421.20090	29.1
435.21616	6.9
439.21118	3.4
442.31766	4.5
452.21408	2.6
453.22354	2.2
462.23245	2.2
463.21149	15.0
475.26749	4.7
481.22171	12.6
485.23059	3.2
493.27939	8.1
495.23883	7.2
499.23270	5.0
503.24347	3.7
523.23395	10.3
541.24414	15.5
555.25793	9.1
563.26575	3.5
581.27441	2.8
592.29449	7.3
605.27490	2.2
623.28735	25.0
624.28180	2.4
637.29974	4.9
641.30286	1.9
655.31055	33.7
656.31671	3.1
690.35181	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	690.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.01866	2.1
55.05267	1.9
55.05516	34.1
57.03436	1.4
64.04042	0.9
64.54092	1.0
67.05503	3.4
69.03423	2.1
69.07063	2.9
70.79232	2.9
71.04985	1.4
79.05480	5.9
81.03411	6.5
81.07065	6.1
83.04989	48.6
83.08626	1.5
85.02901	2.5
90.60452	1.2
91.05481	10.2
93.07060	7.1
94.63372	1.0
95.04968	4.3
95.08615	5.6
96.08146	1.1
99.04449	1.6
103.05456	6.3
105.03380	2.8
105.07040	10.4
107.04945	2.6
107.08592	6.8
109.06515	2.1
109.10175	2.0
111.04443	4.8
115.05466	5.0
117.07031	14.5
119.04968	1.6
119.08590	10.4
121.06485	2.4
121.10141	5.2
125.02339	1.3
125.06055	2.4
128.06218	2.6
129.07019	4.4
130.07759	1.3
131.04941	16.6
131.08583	10.2
133.06477	3.2
133.10136	8.8
135.08109	2.6
135.11719	5.4
137.06018	1.6
141.07036	2.0
142.07753	3.6
143.05002	1.7
143.08557	6.7
145.06476	8.5
145.10143	8.5
147.08055	4.3
149.06099	1.1
149.09586	2.6
153.07001	1.7
155.08569	3.8
156.09361	6.3
157.06564	2.2
157.10143	13.0
158.07289	1.2
159.08035	7.0
159.11725	3.1
160.05241	1.0
161.05991	4.9
161.09637	6.0
162.06735	3.0
163.07510	3.3
163.11189	8.5
165.09158	1.1
166.07782	1.2
167.08542	1.3
169.10080	5.7
170.10892	3.1
171.08052	5.0
171.11693	19.6
173.05971	2.1
173.09642	6.2
175.07587	8.3
175.11139	3.1
176.08287	3.9
177.05518	1.2
177.09111	22.4
178.07626	1.2
181.10124	1.8
181.12259	1.8
183.08029	2.4
183.11682	8.8
184.08870	2.4
185.09610	5.0
185.13245	11.9
187.11195	2.9
188.08316	1.7
189.05482	1.5
189.09125	7.1
189.12849	1.6
191.10677	7.0
193.08621	2.1
193.10217	2.2
193.12286	3.5
195.11751	3.1
197.09637	1.7
197.13274	2.1
198.10367	1.6
199.11197	8.7
200.11974	2.8
201.09094	3.2
201.12817	1.8
203.07008	3.1
203.10667	3.0
205.08653	7.4
207.11674	2.6
208.12497	1.2
209.09622	2.3
209.13188	2.4
211.11348	1.6
211.13269	4.3
213.09207	2.2
213.12770	12.1
215.10622	2.8
217.08562	3.3
217.10397	1.5
217.12212	4.4
219.11852	1.7
220.12552	1.3
221.09613	1.3
221.13306	2.7
223.11217	1.8
225.09148	1.7
227.10655	2.8
227.12822	6.8
229.12358	2.7
231.11768	2.4
231.13658	6.9
233.13359	1.5
235.14876	2.0
237.12859	1.2
241.12259	2.5
243.11699	2.5
243.13889	1.5
245.13387	1.9
247.11203	2.0
249.12796	1.5
257.13358	2.5
259.13150	8.8
261.12680	2.1
261.16467	2.0
263.14526	1.2
265.12418	1.4
267.15900	4.1
270.13898	1.4
271.14749	3.2
273.12582	1.7
273.16534	1.4
275.12769	3.2
282.13791	1.3
283.15411	7.0
285.12854	1.1
285.16718	7.0
286.13342	1.2
287.17932	2.0
289.12231	1.3
289.15549	1.7
297.16159	1.6
299.14340	1.5
299.17944	1.5
301.15906	1.5
303.17529	1.9
313.15927	2.3
317.15231	1.5
319.16898	1.4
327.13901	1.5
327.17377	1.4
329.14780	1.2
331.16641	1.6
333.18732	1.8
337.18225	1.3
339.17374	1.4
343.16898	3.5
344.17834	1.3
345.18637	2.0
347.16260	1.2
357.18506	2.4
359.16199	2.0
361.17920	3.3
373.18042	1.5
374.18271	1.5
375.19540	2.4
385.18005	1.6
393.20685	1.5
403.18893	7.3
405.20648	3.4
417.20569	6.8
421.20230	6.9
435.21762	7.9
453.22510	1.4
463.21091	1.6
475.26901	5.9
493.27951	17.5
495.23944	9.9
514.81439	1.1
525.20959	1.6
537.24890	1.6
541.24188	1.2
555.25861	21.6
577.28094	1.7
637.30188	11.4
655.31165	100.0
656.30914	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	690.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42639	1.5
50.67337	1.5
53.03949	7.3
55.01877	4.0
55.05515	66.6
56.05846	1.9
67.05511	5.3
69.03429	5.9
69.07075	3.8
69.20033	4.6
69.20441	15.6
71.04982	2.8
79.05492	12.8
81.03429	7.2
81.07073	8.8
83.04987	100.0
83.08604	2.6
83.79314	1.4
84.05289	1.9
85.02892	2.4
86.06078	10.7
91.05485	19.5
93.07057	9.9
95.04962	6.8
95.08646	9.0
96.08109	2.2
97.02919	2.8
97.06544	3.3
98.06023	1.8
98.09686	4.2
103.05445	4.4
105.03400	4.0
105.07039	23.0
107.04951	3.7
107.08611	8.5
109.02914	2.5
109.06538	5.4
109.10181	2.6
115.05448	6.0
116.06256	2.3
116.10735	21.9
117.07024	25.2
119.04948	2.9
119.08589	20.7
121.06506	6.1
121.10163	5.1
123.08082	1.8
126.05527	2.4
127.03895	2.5
128.06226	7.8
129.07050	9.5
130.07851	2.3
131.04926	6.9
131.08580	13.3
133.06508	9.1
133.10123	14.4
135.08109	8.0
137.05943	1.8
141.07028	4.0
142.07787	4.6
143.08536	12.1
145.06529	14.8
145.10117	13.9
147.08051	11.1
147.11697	5.7
149.09662	6.2
153.07019	1.9
154.07733	2.2
155.08565	6.1
156.09389	10.1
157.06500	5.1
157.10130	19.1
158.10576	1.8
159.08063	9.9
159.11685	5.8
161.05971	14.0
161.09628	10.9
163.07602	9.7
163.11209	4.0
166.07881	1.9
167.08493	3.9
168.09317	2.4
169.10126	11.9
170.10872	6.8
171.08127	8.0
171.11694	37.5
172.08853	2.3
173.05983	7.5
173.09584	12.7
173.13216	2.5
175.07576	7.2
175.11209	4.8
177.09122	16.3
179.07150	2.4
179.08672	2.3
180.09299	2.9
181.10117	5.2
183.08063	2.7
183.11690	27.6
184.08835	3.2
184.12189	2.4
185.09633	8.9
185.13277	19.1
186.13660	3.4
187.07545	2.2
187.11221	8.9
189.05540	6.2
189.09126	7.2
189.12755	1.9
191.07043	2.7
191.10687	6.1
193.10159	4.9
193.12216	2.3
194.10931	2.1
195.08115	2.6
195.11745	7.1
196.08650	3.3
197.09654	9.0
197.13203	5.2
198.10388	4.1
199.07574	2.7
199.11217	12.8
200.11786	3.9
201.09149	3.8
201.12686	3.9
203.06927	3.0
203.08672	2.4
205.08636	3.0
207.11719	8.3
209.09592	2.7
211.11203	7.9
213.09164	3.8
213.12743	19.8
214.18085	13.9
215.10783	3.6
217.08553	4.4
217.12148	3.0
218.10846	2.1
219.11829	2.6
221.13177	3.3
223.11238	4.7
227.10678	4.6
229.10239	2.3
229.12257	7.9
230.10864	2.4
231.11749	3.9
231.13731	14.1
233.13269	4.7
235.14868	3.5
237.12756	2.0
237.16348	1.9
239.10767	3.7
241.12265	6.9
243.11813	2.9
243.13902	2.8
244.12390	2.6
245.13414	3.0
245.15437	2.5
246.13765	2.0
247.11160	2.7
247.14894	2.8
257.13303	5.3
258.14001	5.3
259.12970	10.3
260.15436	2.0
261.12622	2.7
261.16473	2.0
265.12103	2.4
267.11594	3.0
267.15964	2.8
270.13995	2.7
271.14709	5.2
272.15536	2.8
273.12607	4.8
277.15775	2.0
281.13181	1.9
282.14102	2.6
282.24210	2.5
283.15018	3.7
284.15768	2.0
285.12668	4.0
285.16525	5.1
286.13068	2.4
287.14297	3.6
287.17871	3.6
289.15649	3.0
299.14191	4.6
300.15021	3.0
301.12387	2.6
301.15857	4.6
303.13837	3.8
303.17081	3.5
305.15247	2.1
308.22183	4.4
311.14398	2.8
313.15952	4.6
315.13919	3.3
315.17471	4.7
317.15271	4.7
318.15878	1.9
319.16925	3.6
320.17542	2.8
325.15564	2.0
326.16370	2.1
326.23111	2.5
327.13824	2.8
327.17355	3.4
329.18820	3.8
331.16898	5.0
332.17719	2.3
342.16187	2.8
343.17032	8.0
344.24231	21.2
345.14697	2.7
345.18472	4.0
347.19894	3.0
357.18475	9.6
359.16119	2.8
360.16800	2.6
361.17972	5.4
363.19440	2.2
373.17844	8.4
375.19531	13.5
385.17963	13.0
391.18771	4.0
392.19348	2.4
393.20569	3.2
403.19031	40.5
406.20993	1.9
417.20700	4.7
421.20178	26.0
422.20029	2.1
430.23837	1.9
435.21567	5.4
439.21249	4.3
442.31769	7.5
452.21582	2.7
462.23346	3.9
463.21109	14.9
470.22678	2.2
475.26544	2.9
481.22385	9.1
485.23068	2.7
493.27914	7.6
495.23721	6.2
499.23499	3.3
503.23990	2.4
523.23364	9.4
530.23901	2.3
541.24127	15.2
548.30493	2.7
555.25653	5.7
563.26147	4.1
581.27673	2.6
592.29730	15.4
623.28369	19.5
637.29968	5.1
641.29120	3.1
655.31152	28.5
690.34613	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	690.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.0
56.96563	2.0
57.03424	3.7
61.02918	1.5
67.05497	1.0
69.03429	5.2
69.07060	2.3
70.11588	2.0
70.11984	1.5
71.04985	1.4
73.02930	1.1
73.42047	0.9
79.05492	2.9
79.28166	0.9
81.03400	2.7
81.07079	5.6
83.08618	2.3
84.43619	0.8
85.02432	1.1
85.02908	12.5
85.06551	5.9
87.04455	2.2
91.05482	1.6
93.07050	12.1
95.04971	0.9
97.02894	5.1
97.06535	77.9
98.97577	4.8
99.04451	1.9
109.02895	1.8
109.06526	4.9
109.07200	1.0
110.97592	1.0
111.08086	9.8
121.06459	1.7
123.35270	1.0
127.03912	3.9
127.07559	23.9
137.05937	1.2
139.07547	20.3
145.02861	1.2
145.04938	3.5
147.04347	1.3
157.08612	100.0
158.99651	1.6
163.03882	2.5
174.90837	0.8
175.09669	55.3
177.05466	2.4
178.04944	4.9
191.03821	1.2
193.93590	0.9
196.04871	1.2
206.04465	11.5
213.04195	1.9
219.01778	3.4
231.05403	4.1
237.02809	3.0
246.30623	0.9
246.85602	1.0
278.08734	1.1
337.14932	3.8
343.07059	1.1
347.68124	1.0
354.10806	2.5
355.11456	4.7
356.12161	7.6
356.62445	2.0
360.60791	0.9
368.09830	2.1
375.09479	2.6
393.10803	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	690.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
55.05514	25.1
64.77423	3.0
67.05501	8.3
69.03439	21.3
69.07069	3.9
69.25333	27.7
71.05006	5.6
74.09721	6.1
79.05501	18.7
81.03423	9.8
81.07069	22.2
83.04982	35.5
83.08610	5.1
84.28353	2.9
85.02901	7.4
85.06544	4.2
91.05487	27.7
93.07037	15.6
95.04975	9.7
95.08589	17.9
97.02872	4.4
99.04447	4.4
101.02354	3.7
103.05468	14.4
105.03407	38.1
105.07050	34.4
107.04964	13.0
107.08595	16.9
109.02884	5.3
109.06509	10.9
109.10134	5.4
111.04443	5.2
111.08083	3.4
115.05436	8.1
116.10740	4.2
117.07011	20.2
119.04924	3.6
119.08589	32.2
121.06528	9.6
121.10176	8.3
123.08075	8.0
128.06221	7.5
128.38818	2.7
129.07062	16.4
131.04942	34.3
131.08592	24.0
133.05579	3.0
133.06494	12.9
133.10165	24.5
135.08058	17.5
135.11703	4.4
138.35072	2.8
141.06946	4.2
142.07761	9.6
143.08585	26.8
145.06525	25.7
145.10152	28.7
147.08023	19.7
147.11659	3.8
149.09639	13.0
151.07646	4.0
153.07024	3.9
154.07687	3.4
155.08578	10.8
156.09314	15.1
157.06551	4.4
157.10144	41.8
159.08080	22.0
159.11711	14.2
160.12018	3.7
161.05984	9.2
161.09625	17.3
163.07565	16.7
163.11156	13.3
165.06956	4.2
165.09131	3.3
166.07730	4.0
167.08542	4.0
169.10161	17.3
170.10858	13.3
171.08134	20.2
171.11716	67.9
172.12132	5.6
173.05998	7.2
173.09621	26.0
173.13286	5.7
173.86652	3.1
175.07559	13.2
175.11229	5.5
177.09113	9.5
178.56894	3.3
179.08522	7.1
180.09271	5.9
181.10097	10.6
183.08122	8.0
183.11708	66.0
184.12202	5.6
185.09755	17.0
185.13287	43.8
187.07472	4.6
187.11174	14.7
189.09148	5.8
191.06970	3.9
191.10663	5.1
192.09180	4.7
193.10138	10.1
194.10860	8.8
195.11702	11.6
197.09601	14.1
197.13295	10.8
198.10452	8.2
199.11177	19.9
201.09149	7.3
201.12720	11.6
203.10812	3.4
205.08585	4.8
205.12276	6.0
206.10822	5.2
207.11734	15.5
209.09613	7.2
209.13258	6.9
211.11229	19.9
213.12746	48.8
214.18051	30.0
215.10687	7.9
217.08395	5.1
217.12094	5.8
219.11783	6.0
221.09666	5.0
221.13277	12.7
223.07886	3.7
223.11212	9.9
223.14815	4.1
224.11906	4.1
225.12735	6.0
227.10757	7.4
227.12737	5.0
229.12244	7.9
230.10860	5.6
231.11705	8.4
231.13914	9.1
232.12395	4.3
233.13272	9.6
234.13931	6.1
235.11212	6.5
235.14775	12.0
237.12709	7.2
237.16501	5.2
239.10655	4.1
239.14174	5.4
241.12354	8.0
243.11737	5.4
243.13835	11.8
245.13359	7.4
245.15437	16.5
246.10239	3.8
247.11200	7.6
247.14780	10.8
248.15735	4.1
249.12769	7.5
249.16405	9.7
250.13640	4.0
251.10715	4.5
251.18007	4.8
253.12277	3.9
255.11597	6.4
257.13324	4.1
259.14981	7.1
260.15579	4.4
261.12653	7.9
261.16376	10.5
263.14252	6.8
263.18027	4.4
265.15756	4.2
270.10324	3.8
270.13953	4.7
271.14801	4.8
272.15317	5.6
273.15012	11.9
275.14429	6.7
275.17715	5.4
277.15814	13.5
279.17554	5.1
281.13309	5.6
283.15250	12.6
284.15726	7.1
285.16504	9.4
286.13531	4.9
287.14319	7.3
289.15836	6.6
291.17239	7.5
293.15402	4.1
296.15543	4.5
299.14453	6.9
301.15884	4.3
303.13644	5.3
303.17297	6.0
307.16748	5.2
309.18463	7.3
313.15732	5.4
314.16629	5.1
315.17188	5.8
317.15393	6.3
319.16916	8.0
321.18454	5.5
327.17310	5.7
329.15262	3.9
331.16827	10.9
332.17392	5.9
343.16956	11.0
345.18448	6.1
347.16257	4.7
351.19492	4.5
357.18466	10.0
359.16312	9.9
361.18106	4.3
363.19675	4.4
369.20639	98.3
373.17792	5.8
375.19443	5.0
377.17490	7.6
385.17899	7.1
391.18958	12.8
392.19305	4.4
399.19678	5.5
401.17383	3.9
403.19147	8.9
404.19034	5.1
405.20609	9.0
409.20200	17.1
413.20016	4.0
417.20554	13.0
423.21521	14.2
424.22131	4.3
427.21182	28.3
433.20081	5.5
435.21661	13.9
437.19113	5.3
441.22668	9.0
451.21466	18.6
452.21420	4.6
465.22662	6.9
469.22290	27.1
475.26944	4.7
477.22440	6.3
483.23523	7.2
487.23367	63.9
493.27939	15.5
501.24808	31.0
519.25916	100.0
520.26404	4.3
549.24908	5.2
573.24976	4.7
587.26843	4.4
623.28528	9.8
641.29315	11.3
655.30908	9.5
690.33636	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	689.426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	2.1
53.03948	12.5
55.01878	11.0
55.04598	1.8
55.05515	29.8
55.21395	1.7
57.03443	13.7
57.07072	4.1
59.05031	2.1
65.03934	9.3
67.05508	100.0
69.03430	21.1
69.07070	21.9
71.01357	6.7
71.04984	8.3
71.54831	2.2
73.02908	3.5
79.05500	86.7
81.03425	68.6
81.03917	2.3
81.07061	86.2
83.04980	16.9
83.08621	18.4
83.70702	1.9
85.02905	18.5
85.06541	2.6
87.04483	2.8
91.05488	70.8
93.07053	80.9
95.01337	8.8
95.04974	78.3
95.08609	51.3
95.09089	1.5
97.02903	12.3
97.06559	9.0
97.10164	13.6
99.04458	4.3
101.62237	1.7
103.03937	9.6
103.05465	5.9
105.03423	4.3
105.04526	2.4
105.06390	3.6
105.07043	46.9
107.04957	20.3
107.08601	40.1
109.02892	16.1
109.06524	10.5
109.10158	22.5
111.04459	9.4
111.08087	5.9
115.05492	4.1
117.07036	26.5
119.04950	6.6
119.08591	39.4
121.02894	2.4
121.06530	13.4
121.10146	35.0
123.04442	42.7
123.08096	9.2
123.11708	5.9
125.06094	1.7
125.09644	8.5
127.03960	5.9
128.06194	5.3
129.07004	18.2
131.04939	13.6
131.08580	26.0
133.06500	11.7
133.10136	19.2
135.08078	9.3
135.11685	24.3
137.05977	5.4
137.09622	3.4
139.03940	3.2
141.06975	4.4
142.07840	2.0
143.08575	12.9
145.06473	9.4
145.10150	26.5
147.04457	16.3
147.08063	13.1
147.11678	21.6
149.05980	7.5
149.09612	6.4
149.13272	7.7
153.09131	5.1
155.08548	6.2
156.09303	1.9
157.06528	4.0
157.10173	13.9
159.08089	5.3
159.11684	11.3
161.05992	7.3
161.09627	8.8
161.13280	7.5
163.07561	2.8
163.11217	20.9
163.14842	3.3
165.05405	2.0
165.12712	4.7
167.08617	5.1
169.10176	6.5
171.04433	2.7
171.07980	3.2
171.11696	11.6
173.06026	4.3
173.09656	8.2
173.13274	8.0
175.07611	2.5
175.11229	7.0
177.05615	2.3
177.12772	3.6
177.16490	2.0
181.10152	3.5
183.11658	6.7
185.09613	4.3
185.13306	8.4
187.11192	2.5
187.14877	4.0
189.05461	8.2
189.09125	2.7
189.11211	3.1
189.12769	7.7
189.25136	2.1
191.10641	6.6
193.10397	2.3
193.12273	10.5
195.11674	3.7
197.13315	4.4
199.11218	3.4
201.12723	2.0
203.14336	2.3
205.12238	7.9
207.11971	2.5
207.13783	8.8
209.13280	4.1
211.13318	7.4
213.12807	2.8
217.12241	7.7
223.13210	5.0
231.13737	3.4
235.13321	42.2
243.14384	1.8
243.21162	5.5
245.15523	2.8
247.13235	4.3
249.14888	6.7
253.14340	3.1
255.13802	3.4
259.13269	19.8
259.20520	3.7
261.22107	13.0
267.15930	10.2
271.20654	2.1
273.14871	23.9
277.14334	9.8
277.21710	2.1
283.13254	3.9
289.14325	3.7
291.16049	4.2
301.14319	34.2
309.17029	10.5
317.24765	1.9
319.15445	11.5
333.16916	3.0
333.24399	2.9
335.25833	51.5
337.16531	6.1
347.18591	2.4
351.18051	4.9
351.22659	2.8
357.17099	3.4
375.18024	15.7
377.19763	2.3
393.18994	11.8
411.20142	7.6
437.28842	5.0
453.33539	2.5
527.37311	7.4
539.38422	1.9
545.37811	2.8
569.38428	16.2
611.39404	6.1
623.39038	3.3
635.39581	13.4
653.40686	12.5
657.27728	3.9
671.29755	2.7
671.41254	16.0
689.30048	4.7
689.42639	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	689.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	2.4
53.03943	9.1
55.01868	3.1
55.05267	2.3
55.05516	35.6
59.04980	2.5
61.00171	2.4
61.12318	2.1
65.03939	2.5
67.05498	7.5
69.03432	3.5
69.07070	5.0
69.24952	17.5
77.03935	3.3
79.05502	14.0
81.03421	6.7
81.07061	5.1
83.04987	59.2
85.02892	3.3
91.05487	32.2
93.07045	12.1
95.01316	3.8
95.04996	15.2
95.08626	4.8
97.06550	4.3
99.04459	2.6
103.05473	30.1
105.03402	49.5
105.04503	3.6
105.07035	32.8
107.04947	4.1
107.08590	8.3
109.06514	8.1
110.10416	2.2
111.04431	11.3
111.08024	2.3
115.05449	14.3
116.06278	2.8
116.07101	2.3
117.07041	36.9
119.04951	10.5
119.07771	3.5
119.08585	32.1
121.06515	7.8
121.10159	7.5
123.04435	3.1
123.08031	3.5
125.02383	2.6
125.06000	9.7
128.06227	8.8
129.06984	9.3
130.07845	3.7
131.04019	3.8
131.04939	52.1
131.08597	18.4
133.06522	13.7
133.10146	25.3
134.07306	5.1
135.04391	2.3
135.08073	6.8
137.06003	5.5
141.07016	6.6
142.07777	10.9
143.04942	2.4
143.08586	23.4
145.06502	21.1
145.10130	24.1
147.08081	11.4
147.11743	3.4
149.06120	2.7
149.09627	14.1
153.06960	4.0
154.07837	2.3
155.08553	11.5
156.09377	16.3
157.06467	3.2
157.10155	34.5
158.07292	3.3
159.08078	15.1
159.11719	17.2
160.05309	3.4
161.05977	19.5
161.07181	2.7
161.09596	12.4
161.13278	2.4
162.06828	14.3
163.07547	11.8
163.11179	6.0
165.06967	3.7
165.09200	2.4
167.08586	5.1
169.10121	16.1
170.10950	13.3
171.08044	10.1
171.11696	46.0
172.08881	3.7
172.12242	3.7
173.06001	3.7
173.09663	23.0
173.13260	6.6
175.07596	29.0
175.11237	6.5
176.08286	9.0
177.09129	100.0
178.06250	4.7
178.09523	2.4
179.08546	4.6
179.10709	4.5
180.09329	4.6
181.08614	2.3
181.10091	5.4
182.10855	4.2
183.08127	4.2
183.11705	40.2
184.08891	3.1
184.12161	6.5
185.09692	12.5
185.13261	29.1
187.11176	6.6
189.09158	13.5
190.06143	3.1
191.06952	3.8
191.08691	2.4
191.10669	10.5
193.08615	21.3
193.10136	3.8
194.10922	2.8
195.11708	11.9
197.09610	9.4
197.13246	13.1
198.10364	4.0
199.07521	4.8
199.11179	15.4
200.11737	3.0
201.09114	8.5
201.12697	6.7
203.07051	4.0
203.10693	7.2
205.08606	16.0
205.12247	8.0
206.10939	4.2
207.11722	8.2
208.12357	4.1
209.09642	5.1
209.13242	5.8
211.07715	2.6
211.11200	13.4
211.14745	2.1
212.08418	2.2
213.09224	3.6
213.12767	45.3
215.10678	5.6
217.10297	3.7
217.12206	3.9
219.11836	4.2
220.12514	5.5
221.13260	8.8
222.10326	3.1
223.11246	4.8
223.14810	4.6
225.09196	2.4
225.12762	9.4
227.10661	3.1
227.14330	2.7
229.10362	2.6
229.12296	6.6
230.10883	2.9
231.10150	7.0
231.13718	4.1
232.12479	3.2
233.11513	2.6
233.13417	4.7
233.15359	4.5
235.11203	3.5
235.14928	5.0
237.12706	3.9
237.16302	2.7
241.12257	7.9
243.13828	7.1
244.12535	2.9
245.11598	4.5
245.13605	1.8
245.15446	16.7
246.10529	2.5
249.12857	4.1
249.16425	2.9
251.14293	2.8
253.12204	4.3
255.13885	5.0
256.12451	3.1
257.13278	3.9
257.15613	2.9
258.14023	3.2
259.14807	6.9
260.15646	2.9
261.16449	3.0
263.14111	2.8
263.18097	2.5
265.12198	3.4
265.15820	3.3
267.11517	2.9
269.13348	3.3
270.13742	4.0
271.13495	2.1
273.14798	24.2
275.14313	5.5
279.17575	2.3
285.12564	3.8
285.16364	6.0
287.14212	2.6
289.14328	4.3
293.15213	2.6
299.14578	3.8
299.17920	2.8
301.12027	2.8
301.15878	2.6
302.13065	2.2
303.17462	4.4
305.15488	3.2
305.18875	2.8
309.18170	2.8
311.17935	2.6
313.15897	4.0
315.17322	4.5
317.15265	4.2
318.15842	2.7
319.16971	3.8
319.63379	2.3
327.17667	2.5
329.15375	3.0
329.19214	2.9
331.16788	10.0
333.18515	4.0
339.17050	2.3
342.16110	3.1
343.16922	7.5
345.14630	3.3
345.18445	6.3
347.20151	3.1
349.18033	5.3
351.19620	4.0
357.18484	9.3
359.16177	2.9
361.17834	6.4
363.19199	2.8
373.17999	4.1
375.19495	7.6
385.18057	4.0
389.21326	10.4
391.18930	4.6
393.20816	3.3
401.17822	2.9
403.18903	6.4
405.20605	4.2
407.22238	4.9
409.20117	2.8
417.20117	8.3
419.18127	2.9
431.21786	3.8
433.20297	3.7
434.20541	4.0
435.21780	14.3
449.23386	21.9
451.20584	3.6
452.21704	3.4
467.24426	20.5
469.22150	2.8
549.28381	5.1
567.29541	4.5
571.26221	6.3
589.27692	3.9
657.30719	12.0
671.31903	8.8
689.23328	2.8
689.33246	39.9
705.97888	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	689.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.1
53.03938	4.5
55.01878	14.6
55.05514	19.3
57.03411	2.5
65.03931	2.3
67.05514	18.7
69.03432	4.5
69.07058	4.8
71.04984	1.8
71.75729	1.4
74.09729	7.5
77.03926	2.2
79.05074	1.9
79.05502	23.7
81.03420	16.1
81.07066	13.7
83.04544	2.1
83.04990	23.3
83.08616	2.3
85.02892	2.2
91.05492	26.9
93.07056	18.9
95.01326	5.2
95.04984	20.1
95.08621	7.9
97.02876	2.4
97.06528	2.6
103.05457	6.4
104.05820	1.7
105.03401	63.3
105.04514	3.9
105.07043	20.5
107.04974	10.5
107.08610	12.6
109.02863	1.7
109.06516	8.3
109.10167	3.9
111.04436	2.6
111.08027	1.5
115.05511	6.6
117.07030	20.0
119.04933	1.9
119.08596	27.9
121.06516	9.7
121.10155	6.0
123.04416	7.0
123.08038	2.4
128.06219	4.3
129.07027	16.1
130.07808	1.8
131.04942	10.5
131.08580	16.2
133.06497	8.2
133.10146	17.7
135.08064	14.1
135.11691	3.3
141.07005	4.1
142.07777	7.0
143.08575	13.8
145.06494	9.5
145.10132	16.2
147.04413	2.6
147.08063	69.5
147.11707	4.1
149.06036	1.6
149.09608	4.4
151.07576	1.8
153.07056	2.1
154.07716	2.0
155.08574	10.1
156.09328	10.3
157.06471	2.5
157.10138	19.1
158.07280	2.1
158.10895	2.6
159.08047	12.2
159.11719	7.7
160.08513	1.5
161.05971	5.6
161.09651	15.8
163.07559	100.0
163.11139	4.1
165.06985	3.1
167.08537	5.2
168.09360	3.1
169.06493	1.8
169.10144	7.2
170.10887	3.1
171.08061	4.6
171.11711	33.6
173.05959	3.3
173.09651	9.0
173.13283	12.6
175.07588	14.5
175.11194	4.5
177.09129	2.5
179.08559	6.3
181.10130	4.8
182.10913	3.9
183.08127	2.5
183.11717	14.1
184.08746	1.9
184.12286	2.0
185.06020	1.4
185.09650	6.5
185.13272	11.2
186.10326	2.5
187.07596	2.3
187.11192	6.2
187.14832	6.7
189.09074	3.7
189.12746	3.9
193.10112	5.5
194.11046	1.8
195.08022	1.7
195.11687	8.6
196.12483	2.4
197.09633	2.8
197.13278	15.5
199.11227	8.1
199.14816	4.1
201.09041	3.5
201.12781	8.7
203.10600	3.1
207.11641	5.9
207.13480	1.7
208.12474	1.5
209.13318	8.5
211.11226	5.9
212.11894	1.5
213.12790	7.8
215.10713	4.4
215.14325	21.8
217.15694	1.7
219.11784	2.6
219.13652	1.7
220.12584	3.3
221.13275	6.2
223.11182	3.6
223.14848	3.4
225.12820	6.8
227.14366	11.4
229.12187	5.6
231.13782	4.4
233.13268	1.7
235.11255	1.9
235.13252	5.0
237.12772	3.0
241.12291	4.2
243.13898	7.9
245.15384	3.3
248.11861	1.7
249.12726	1.8
251.10550	2.0
253.15723	2.5
259.13095	2.6
265.15891	1.8
267.13913	2.4
269.13477	1.6
273.12451	1.9
273.15009	1.8
279.17328	2.2
295.16989	3.2
299.14426	2.3
301.14478	4.1
313.15784	2.9
315.21631	1.5
317.18945	2.9
319.20453	2.1
327.17328	2.1
328.18124	1.9
329.15295	2.2
329.18991	2.9
331.17065	2.3
335.25769	6.2
337.17947	2.5
341.19131	2.4
343.20331	6.9
345.18491	5.7
347.19965	2.9
353.18964	3.1
361.21512	6.1
371.20084	19.0
381.34293	1.5
389.16016	2.4
389.21115	43.2
393.18573	1.7
407.22321	11.8
431.21994	4.0
449.23343	7.4
467.23941	3.3
524.79340	1.5
538.25067	4.8
549.28217	1.7
569.38464	2.2
593.23627	3.4
625.25800	2.8
635.39429	1.8
641.62384	1.6
689.32367	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	689.332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.7
53.03950	7.5
55.01880	7.6
55.05495	3.0
57.03426	1.2
57.07080	9.5
57.33687	0.8
62.81123	0.9
65.03940	1.9
66.97562	0.9
67.05502	6.6
69.03414	2.8
69.07069	4.1
69.46617	1.5
69.47039	5.7
77.03923	2.1
79.05498	8.5
81.03430	7.9
81.07067	5.6
83.04967	1.8
83.08617	1.1
91.05483	19.4
93.07054	9.0
95.04965	12.7
95.08597	3.1
97.02914	1.7
97.06543	1.9
98.20763	2.2
102.27944	0.9
103.05471	3.9
105.03402	100.0
105.04536	5.8
105.07042	11.2
107.04974	5.3
107.08619	4.8
108.33686	1.0
109.06516	1.8
109.10148	1.9
115.05474	5.7
116.06242	1.2
117.07046	11.9
119.07803	1.3
119.08601	17.6
121.06505	3.1
121.10154	2.9
127.03916	1.5
128.06226	4.6
129.07013	12.7
130.07724	1.5
131.04945	5.9
131.08583	11.6
132.05212	1.5
133.06522	2.1
133.10138	10.3
135.08083	2.9
135.11690	1.1
141.06975	3.6
142.07813	5.4
143.08574	9.2
144.05646	1.1
145.06496	11.4
145.10135	10.6
147.08055	35.5
147.11674	2.7
148.59447	1.0
149.09610	3.4
153.07043	1.5
154.07726	1.1
155.06033	1.1
155.08553	6.2
156.09364	8.6
157.06511	2.0
157.10146	16.8
158.07265	3.0
159.08067	22.3
159.11667	4.6
161.09628	19.4
163.07547	5.6
163.49847	1.2
165.07040	1.8
166.07808	1.5
167.08554	2.4
168.09322	1.6
169.10144	7.7
170.10855	2.7
171.08138	5.8
171.11697	26.3
172.12569	1.0
173.05978	3.9
173.09625	12.9
173.13232	3.3
175.07533	12.5
175.11159	2.2
179.08630	1.2
180.09340	1.9
181.10118	3.5
182.10916	1.1
183.08047	3.5
183.11734	12.6
184.08783	1.6
185.09622	9.0
185.13258	15.6
187.07491	2.7
187.11192	4.3
189.09117	2.6
191.10667	2.7
193.10173	2.7
193.12384	1.1
195.08096	1.4
195.11720	4.5
196.08771	1.4
197.09662	6.1
197.13255	4.7
199.11174	9.9
200.11891	1.8
201.09111	4.2
201.12740	2.1
203.10638	1.3
206.10953	2.0
207.11705	3.7
208.12364	1.2
209.09708	2.0
209.13275	2.1
211.11147	4.1
213.09232	1.8
213.12746	15.5
215.10721	3.6
217.08583	3.6
217.12239	4.2
219.09990	1.6
219.11823	2.3
220.12477	1.3
221.13287	2.5
223.11200	3.5
225.09239	1.2
225.12781	1.6
227.10672	2.8
229.12254	5.1
230.10970	1.4
231.11740	2.1
231.13780	18.1
232.12418	1.8
233.13359	1.3
235.11128	2.0
237.12672	1.7
239.10600	2.2
241.10143	1.4
241.12239	6.9
243.11690	2.5
243.13875	1.8
244.12491	1.9
245.11703	3.4
247.11191	2.6
247.14911	1.9
249.12733	2.1
251.10707	1.8
257.13483	2.3
258.14200	1.3
259.10956	2.2
259.13235	16.8
260.11902	1.1
261.12756	2.3
261.16205	1.0
265.12302	1.8
265.15686	1.0
269.13251	2.6
270.13953	1.2
271.11261	2.0
271.14761	1.4
272.12189	1.1
272.15588	1.4
273.12692	2.4
273.16321	1.4
275.14270	2.3
282.13980	1.3
284.15372	1.8
285.12704	2.0
286.13419	1.8
287.14276	4.0
287.17609	1.2
289.12378	2.4
289.15784	2.2
291.13577	1.5
297.12775	2.7
297.16205	1.3
298.13483	1.3
299.14157	2.4
299.18109	1.1
301.15854	3.4
303.13773	1.7
303.17511	1.3
311.14322	2.6
312.15045	2.8
313.15851	3.4
315.17365	2.6
317.15469	2.2
317.19086	2.5
325.12103	1.5
326.16879	1.3
327.13983	1.5
327.17404	7.2
328.18262	2.6
329.15292	2.6
329.18893	1.8
331.17169	1.4
331.20865	1.4
335.26022	1.3
341.19080	4.0
343.20709	1.7
345.14755	1.2
345.18433	4.0
347.16440	3.7
357.18451	3.7
359.20062	4.5
364.19754	1.0
369.18399	6.1
375.19540	6.0
377.21249	7.3
387.19577	25.7
405.20673	27.7
423.21695	3.0
447.21594	4.8
465.22675	13.0
501.69931	1.0
507.27457	1.3
509.23627	2.4
527.24048	1.6
557.70032	1.3
567.29681	2.3
569.24939	1.5
587.26202	2.3
623.65228	1.0
671.32483	5.6
689.42255	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	689.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87411	0.9
51.02381	1.2
53.03948	8.0
55.01873	6.2
55.05501	1.5
57.07074	9.7
57.57021	0.8
67.05507	5.3
69.03415	2.9
69.07058	3.3
77.03931	2.1
79.05494	7.1
81.03422	7.4
81.07046	3.9
83.04975	1.6
85.06554	1.1
91.05489	15.6
93.07040	5.8
95.04444	1.2
95.04980	13.8
95.08598	2.6
97.06512	1.5
99.04478	0.9
103.05470	3.0
105.03394	100.0
105.04518	3.7
105.07039	9.4
106.03733	1.0
107.04946	3.9
107.08615	5.1
109.06515	2.8
109.10124	1.5
111.08142	1.5
113.45563	0.8
115.05450	5.5
116.06224	1.1
117.07020	8.2
119.08589	13.8
121.06528	2.6
121.10149	2.9
128.06209	3.1
129.06999	10.2
130.07762	1.8
131.04941	3.3
131.08578	9.2
133.06502	1.6
133.10138	10.4
135.08041	2.8
137.09557	0.9
138.63441	1.2
141.06981	3.8
142.07779	5.7
143.08554	10.1
143.34283	1.0
144.09404	1.4
145.06483	10.0
145.10138	8.3
147.08047	37.1
147.11682	2.9
148.44293	1.0
149.09602	3.0
151.11165	0.9
153.06958	1.2
154.07756	1.2
155.08556	4.9
156.09390	6.6
157.10133	12.6
158.07266	1.8
159.08060	17.3
159.11740	4.4
161.09624	17.6
163.07553	4.8
165.06979	1.7
166.07726	0.9
167.08542	2.0
168.09311	1.0
169.10143	7.7
170.10896	3.2
171.08061	4.7
171.11685	24.7
173.05960	3.2
173.09631	10.9
173.13293	1.3
175.07545	9.0
175.11220	2.3
178.07625	1.2
180.09273	1.7
181.06566	1.0
181.10135	2.7
182.07240	1.0
182.10922	1.1
183.11673	12.5
184.08817	2.4
185.09613	10.7
185.13240	13.4
187.07571	3.5
187.11197	3.3
189.09076	2.0
189.12776	1.6
191.10637	2.9
192.09445	1.2
193.10088	2.2
195.11684	3.4
197.09619	5.1
197.13217	3.4
198.10364	2.1
199.11192	11.8
200.11949	3.4
201.09106	2.2
201.12764	3.0
203.10637	1.8
205.10165	1.3
206.10919	1.6
207.11644	2.8
209.13284	1.1
211.11266	1.4
213.09094	1.9
213.12750	11.1
215.10649	2.9
217.08517	2.1
217.12189	3.1
218.10846	1.4
219.11794	1.6
220.09012	1.1
220.12341	1.2
221.09521	1.0
221.13298	2.7
223.11154	3.0
223.14734	1.1
225.09088	1.5
225.12733	2.0
227.10695	2.7
229.12213	5.6
231.11809	1.4
231.13805	19.0
233.09476	1.2
235.11208	1.3
237.12733	2.5
239.10677	2.7
241.12231	8.5
243.13905	1.3
244.12402	1.8
245.11745	3.6
246.10390	1.5
247.11281	1.3
247.14839	2.0
249.12793	1.4
251.10597	2.0
251.14310	1.2
256.12433	1.5
257.13489	1.7
258.14066	1.3
259.10971	1.3
259.13214	15.4
261.12665	2.3
262.13452	1.3
263.14224	1.9
265.12305	1.3
269.13293	1.5
271.11169	1.5
271.14426	1.3
272.11887	1.6
273.12405	2.1
275.14249	2.5
277.12021	1.1
277.16031	1.1
279.10144	1.1
279.13733	1.6
283.14896	1.6
284.15585	1.7
285.12555	2.2
286.13461	1.6
287.14243	4.1
288.14957	1.5
289.12357	1.2
289.15817	2.2
297.12604	3.4
297.15778	1.4
298.13681	1.6
298.16974	1.2
299.14310	1.9
299.17529	1.3
300.15179	1.9
301.15826	2.1
303.17548	1.1
311.14380	2.2
312.15076	2.3
313.15866	4.6
314.13107	1.2
315.17361	3.5
317.15546	2.0
317.18997	3.8
319.16818	1.4
326.16440	1.9
327.17480	6.0
328.18048	1.9
329.15384	2.9
339.13852	1.9
341.19012	3.5
345.18512	6.7
347.16470	2.2
354.16202	1.8
357.18536	1.9
359.19998	4.7
369.18384	7.7
375.19547	6.5
377.21091	7.2
387.19559	28.1
405.20578	32.3
423.21832	1.6
447.21625	4.9
447.28116	0.9
465.22766	10.6
465.28812	1.5
491.21423	1.4
507.27502	1.6
509.22870	2.3
538.25171	1.1
567.29193	1.8
569.25354	1.5
587.26385	2.5
671.31934	5.0
689.42950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01865	3.4
55.05516	68.4
57.50100	2.3
67.05498	5.6
69.07066	3.0
79.05495	9.9
81.07044	8.0
83.04987	100.0
86.65526	2.2
90.83530	2.5
91.05486	22.5
93.07046	21.7
94.41209	2.4
95.04975	7.4
95.08612	8.4
103.05476	9.3
105.03424	6.5
105.07040	27.8
107.08612	12.2
109.06540	6.2
109.10181	3.1
115.05453	5.6
117.07018	14.1
119.04967	3.6
119.08578	29.1
121.06512	7.3
121.10166	5.3
123.08073	6.5
128.06215	5.8
129.07042	8.3
131.04930	12.6
131.08580	16.4
133.06491	22.8
133.10126	21.1
135.08057	12.8
139.07599	5.0
142.07785	9.2
143.08592	21.4
145.06500	7.7
145.10164	13.7
147.07999	13.0
149.06038	5.2
149.09636	14.4
151.07524	3.3
155.08575	9.6
156.09363	17.5
157.10149	34.1
159.08054	12.6
159.11723	10.1
161.06035	15.0
161.09644	10.3
163.07610	6.2
163.11227	9.3
165.07021	4.6
165.09137	3.4
167.08607	4.2
168.09322	2.8
169.10152	23.2
170.10921	14.3
171.08087	10.6
171.11707	66.1
172.08795	4.0
172.12250	2.9
173.09590	11.9
173.13191	6.5
175.07584	6.6
175.11215	6.1
177.09142	3.5
179.07076	6.6
179.08528	4.9
180.09354	4.7
181.10121	9.1
183.08076	3.0
183.11697	50.2
184.08911	4.3
184.12334	4.2
185.09645	11.1
185.13277	52.1
187.11172	6.2
189.05444	5.9
191.06940	3.4
193.10139	6.8
194.10959	2.8
195.11713	18.0
197.09610	11.7
197.13254	13.9
198.10432	4.7
199.11177	21.1
201.09245	3.3
201.12747	6.0
205.10326	4.6
205.12271	6.5
206.10957	3.9
207.11763	9.0
209.09637	5.7
209.13358	5.8
210.10426	3.3
211.09447	3.6
211.11232	12.1
213.12756	53.3
215.08601	2.8
215.10576	3.4
217.10156	4.2
218.10892	3.4
219.11754	8.6
220.12549	4.3
221.13268	9.7
223.11252	7.7
223.14766	5.8
225.12787	4.4
229.10309	4.7
229.12282	7.2
230.10825	5.2
231.11719	9.0
231.13881	8.7
232.12534	6.0
233.13231	10.9
234.14201	4.0
235.11157	3.8
235.14798	7.1
237.12883	4.2
241.12288	6.6
242.10793	2.7
243.11638	6.5
243.13890	9.6
244.12463	8.2
245.13199	9.9
245.15398	30.1
246.14041	6.4
247.11214	5.9
247.14828	9.4
248.12175	2.9
248.15532	4.0
249.12888	3.0
249.16469	12.6
251.10744	2.7
251.14330	3.2
255.11696	3.6
255.13992	5.1
256.12613	3.2
257.13202	7.5
257.15558	3.7
258.14084	10.6
259.15054	14.7
260.12006	3.1
260.15576	4.4
261.12674	7.7
261.16397	8.2
262.13583	3.7
263.14249	5.6
263.18097	3.5
267.13937	3.9
270.13806	3.2
271.14865	6.6
272.15707	4.3
273.12555	4.3
273.14621	18.9
275.14322	6.8
275.17908	8.1
277.15906	5.4
281.15436	3.0
285.12811	7.5
285.16437	7.9
286.13684	2.7
287.14267	5.1
287.18173	4.1
288.15225	2.9
289.12506	2.7
289.15897	8.2
291.17487	6.0
293.15942	2.9
297.12979	2.6
297.16116	4.8
299.14362	3.8
299.17792	3.4
300.15268	3.3
301.15790	7.8
302.12979	3.6
303.13840	8.7
303.17447	8.3
304.14529	3.0
305.15460	3.5
305.18988	4.9
307.16907	3.5
313.15802	7.1
314.16843	3.4
315.13940	3.4
315.17419	7.0
316.14679	2.6
317.15259	7.5
317.19070	6.8
318.15955	2.6
319.16949	8.7
321.18478	4.4
327.17365	5.1
329.15503	4.7
329.18982	5.8
331.16977	13.2
333.18646	6.8
335.20175	3.5
341.15198	3.9
343.17010	8.8
345.18329	12.8
347.16388	5.9
349.18002	8.6
351.19666	4.4
355.16739	5.0
357.18567	3.8
359.16263	7.2
360.17041	3.7
361.18097	4.3
363.19620	9.1
365.17355	6.9
367.19141	5.1
371.16223	3.7
373.18109	13.1
375.19629	9.5
377.17404	17.3
379.19174	4.0
381.20541	5.0
383.16431	2.7
387.19547	4.4
389.17111	6.6
389.21497	5.0
391.19150	18.8
393.20547	5.1
395.18411	5.3
401.17444	7.5
403.18866	3.1
405.20673	4.0
407.18463	7.0
409.20175	9.6
411.21463	7.9
415.18866	6.4
419.18573	25.3
421.19943	5.0
423.21637	8.2
433.20071	15.6
437.19684	22.3
439.21201	6.8
441.22708	6.3
451.21216	40.4
469.22305	34.1
493.21793	4.1
497.21823	9.6
511.22974	5.1
515.22815	4.3
529.24469	20.7
551.25977	4.0
557.23804	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	689.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01884	3.8
55.05514	55.4
63.07195	2.0
63.36493	1.7
67.05501	5.4
69.07047	2.6
70.06948	6.8
79.05498	9.4
81.07056	13.7
83.04984	100.0
91.05487	16.1
93.07056	13.5
95.04974	4.8
95.08623	14.9
97.06560	3.2
103.05478	5.4
105.07032	18.5
107.04965	7.4
107.08606	11.0
109.06519	5.6
109.10213	2.0
115.05403	2.2
117.07023	7.2
119.04971	5.5
119.08578	22.3
121.06491	5.7
121.10141	3.2
123.04473	2.0
123.08122	2.5
128.06201	3.6
129.07031	6.2
130.07774	3.0
131.04886	4.2
131.08592	10.9
132.78842	1.8
133.06487	12.2
133.10133	12.4
135.08067	5.6
137.05954	2.6
139.07446	2.6
141.06963	3.9
142.07777	5.5
143.08519	13.3
145.06470	9.0
145.10109	14.4
147.08038	15.3
147.11702	2.9
149.05977	8.2
149.09615	5.0
151.07515	4.7
155.08586	7.4
156.09358	11.8
157.10153	22.9
159.08072	10.8
159.11656	7.7
161.05984	8.6
161.09642	7.4
163.07515	2.9
163.11172	5.4
165.07040	3.8
165.09108	2.5
168.09216	2.8
169.10130	15.8
170.10930	9.2
171.08076	7.3
171.11690	44.6
173.05893	3.6
173.09648	18.1
173.13342	2.8
175.07571	6.7
175.11215	2.7
179.07057	3.9
179.08615	3.6
180.09300	2.7
181.10115	6.4
182.10963	1.9
183.08113	3.0
183.11688	34.3
184.08894	2.3
185.09596	8.5
185.13260	27.8
187.11172	7.3
189.05484	2.6
191.06998	2.6
193.10172	6.6
194.10936	3.7
195.08095	2.6
195.11627	12.0
196.12479	2.6
197.09613	7.7
197.13274	9.7
198.10352	3.9
199.11221	15.9
201.09105	5.3
201.12770	6.9
203.08635	3.1
204.09372	2.2
205.10318	3.9
205.12209	4.4
206.11003	3.8
207.11716	10.4
208.12457	5.2
209.09717	3.6
209.13255	7.2
211.11151	12.2
213.09201	2.8
213.12753	34.5
215.10687	6.1
217.08444	3.3
217.10269	4.9
217.12164	2.9
218.11070	3.3
219.11652	8.8
220.12560	6.2
221.13306	10.9
222.13976	2.3
223.11197	8.0
223.14822	5.6
225.12825	2.9
229.10295	3.9
229.12245	6.8
231.11720	5.4
231.13823	7.1
232.12480	4.0
233.09636	4.1
233.13390	9.4
234.10352	2.4
234.14037	4.6
235.11113	4.0
235.14790	9.6
236.15546	2.5
237.12755	5.5
239.14287	2.4
241.12228	6.1
243.11601	6.7
243.13823	11.8
244.12451	6.6
245.13271	9.4
245.15405	13.8
246.10391	2.4
246.13977	9.5
247.11076	4.0
247.14893	11.6
248.11961	3.0
248.15515	4.2
249.12840	4.9
249.16330	12.8
250.13637	2.2
251.14421	4.2
251.17938	5.0
253.12279	5.4
255.11650	3.3
255.13901	4.2
256.12396	3.8
257.09351	2.5
257.11530	2.7
257.13498	2.4
258.14090	5.7
259.11002	3.6
259.15067	12.4
260.12067	5.2
260.15594	5.6
261.12811	7.6
261.16367	18.7
262.13541	3.8
262.17130	2.7
263.14301	5.5
263.17957	4.9
265.19556	3.1
269.13104	2.8
270.10464	2.0
270.14093	2.9
271.15027	2.9
272.12027	5.2
273.12424	2.9
273.14728	14.1
274.13480	4.1
275.14282	4.0
275.17926	9.7
276.15155	2.9
277.15863	4.9
279.14081	2.2
279.17401	2.9
283.11148	3.5
284.11877	3.2
285.12769	3.9
285.16205	3.4
286.13458	3.9
287.14301	8.0
288.15057	4.8
289.12766	2.5
289.15900	13.7
291.13919	3.1
291.17410	9.7
293.15616	2.5
293.19086	5.9
297.12762	2.9
298.13382	3.9
299.14267	6.4
299.17783	2.8
301.15762	5.2
303.13907	3.6
303.17392	12.8
305.15137	3.0
307.16998	4.1
309.18488	2.9
313.15747	6.0
315.13907	2.7
315.17438	5.0
317.15381	6.3
317.18896	2.6
319.16949	8.3
321.18359	11.6
323.20020	4.4
327.13593	2.4
327.17194	4.8
327.87759	2.5
329.15421	2.7
331.16943	14.9
332.17352	2.4
333.18295	3.8
334.19360	3.5
335.16223	2.6
335.19998	5.5
337.17944	5.7
341.15387	3.9
343.17020	5.3
345.18423	8.2
347.16299	4.6
349.17987	8.2
351.19666	5.4
353.21100	4.9
355.16965	6.7
359.16345	6.9
361.17813	6.8
363.19635	12.3
365.17392	2.5
367.19058	4.7
371.16342	2.8
373.17929	16.0
377.17206	11.5
379.19260	2.6
381.20691	3.8
387.19516	6.5
389.17456	3.2
391.19095	17.9
393.20267	2.6
395.18387	6.4
401.17416	11.1
405.20593	8.7
407.18411	4.5
409.20026	12.2
411.21561	8.6
415.19070	6.0
419.18582	14.5
423.21619	7.2
433.20294	15.3
437.19522	16.2
439.21188	3.5
441.22101	3.0
451.21231	25.1
455.20660	2.5
469.22391	23.1
471.23593	2.5
479.20462	4.0
493.22189	2.8
497.21866	6.2
511.23218	7.1
515.22882	2.8
529.24426	21.1
597.27020	2.3
689.31311	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	689.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.9
55.05516	43.2
63.21117	4.4
65.07425	4.6
65.44693	4.8
67.05505	8.0
69.03438	39.0
69.07093	5.3
79.05504	18.9
81.03424	8.0
81.07074	18.4
83.04992	62.6
91.05498	49.8
93.07063	26.7
95.04986	18.9
95.08639	18.4
98.20766	8.3
103.05505	16.8
105.07040	50.8
105.07695	6.1
107.04996	16.3
107.08615	19.1
109.06555	10.5
109.10179	7.5
111.71653	4.6
115.05463	8.9
117.07047	16.8
119.04952	15.3
119.08588	44.8
121.06541	12.7
121.10204	9.8
123.08089	7.3
129.07024	13.3
131.04951	27.2
131.08591	25.7
133.06496	30.7
133.10136	37.1
135.08104	14.6
137.09706	7.3
141.07045	11.2
142.07799	14.8
143.08589	24.4
145.06529	12.9
145.10146	24.7
147.08075	14.7
147.11723	5.7
149.05925	4.8
149.09642	18.8
155.08580	22.6
156.09315	27.4
157.10139	54.8
159.08064	13.7
159.11717	20.4
161.06007	20.3
161.09642	13.8
163.07574	13.8
163.11214	5.3
165.07034	8.4
165.09187	11.6
167.08670	7.9
168.09340	7.1
169.10170	44.2
170.10945	16.1
171.08063	10.5
171.11697	93.1
173.06047	11.6
173.09663	18.2
175.07574	14.9
177.09161	13.4
179.07101	6.1
179.08578	9.4
180.09412	7.6
181.06586	4.6
181.10225	15.8
183.08150	11.3
183.11714	100.0
185.09712	19.3
185.13297	72.7
187.11244	10.4
189.05518	6.5
191.07109	6.5
193.08604	8.1
193.10185	11.7
194.01555	4.7
194.11044	7.5
195.11743	20.8
197.09671	20.9
197.13300	18.5
199.07593	6.1
199.11203	24.3
201.12788	12.2
205.12177	6.3
207.11763	16.7
208.12558	5.3
209.09686	9.3
209.13326	13.1
211.11230	20.0
213.12743	44.3
215.10629	8.1
217.10274	9.1
217.12245	5.0
218.10979	5.7
219.11748	12.8
220.12437	7.3
221.13245	13.8
223.11282	9.3
225.12877	4.9
229.10269	6.6
229.12265	12.7
230.10950	7.7
231.11769	13.8
231.13849	9.7
232.12460	13.1
233.09685	8.2
233.13274	15.0
234.14044	7.4
235.11121	7.4
235.14900	10.2
237.09105	5.7
237.12793	14.7
239.08540	5.9
239.14221	5.4
241.12285	9.9
243.11833	9.9
243.13843	25.4
244.12479	18.2
245.13257	16.3
245.15448	50.3
246.14066	11.4
247.14818	17.9
247.17046	5.6
249.12985	5.7
249.16403	11.1
251.14293	9.5
255.11655	8.6
257.11603	6.6
257.15546	7.1
258.14108	13.7
259.11185	5.3
259.14825	21.9
260.15656	14.1
261.12744	10.6
261.16428	16.1
263.14417	6.8
269.13190	11.3
270.14075	11.1
271.14954	14.0
272.15561	6.2
273.12469	8.8
273.15121	18.4
275.14468	9.4
275.17789	11.3
277.15933	8.7
279.17355	7.3
283.11072	7.2
284.15601	5.8
285.12561	5.3
285.16620	11.2
286.13535	6.3
287.14426	11.4
287.17700	6.5
289.15771	15.4
291.17422	16.0
296.15582	5.1
297.12555	6.1
298.13617	9.0
299.14365	7.8
301.12573	6.2
301.15915	16.3
302.12885	7.7
303.13712	6.0
303.17426	17.8
304.21262	5.0
313.15988	14.0
314.12872	6.3
315.13980	6.8
315.17441	8.4
317.15372	9.3
319.16916	11.2
321.18613	11.9
323.19958	6.7
325.21942	6.7
327.17419	13.7
327.82947	5.3
329.15207	8.3
331.16995	29.6
333.18423	9.1
335.20111	8.9
341.15518	7.5
343.17126	11.3
345.18582	12.7
347.16473	7.9
349.18076	11.1
351.19553	11.4
355.16843	9.7
357.18326	5.3
359.16260	22.7
361.18115	15.1
363.19647	19.4
373.18127	29.1
377.17285	9.6
379.19037	5.5
381.20468	12.0
387.19461	7.8
391.19034	42.3
401.17548	20.3
403.19040	10.7
405.20694	25.5
409.20099	10.2
415.19037	10.0
419.18533	19.5
421.20062	11.7
423.21756	15.7
433.20081	42.4
451.21136	53.3
465.22812	19.0
469.22220	11.2
483.23792	21.8
493.22208	5.8
511.23178	8.6
529.24585	8.6
597.26978	10.9
702.95123	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	689.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
53.83901	1.9
55.01875	2.8
55.05514	63.6
56.54254	1.6
64.40012	1.5
67.05502	4.6
67.64124	1.7
69.07063	2.1
79.05497	10.7
81.03431	2.0
81.07056	6.6
82.61646	1.4
83.04988	100.0
84.05299	2.0
91.05484	16.8
93.07050	17.4
95.04972	6.4
95.08625	9.2
96.46033	1.5
97.06538	2.3
103.05458	6.4
105.03374	1.9
105.07034	23.3
107.04941	5.2
107.08607	10.7
109.06504	6.6
109.10145	2.1
115.03886	2.1
115.05461	4.0
116.00954	1.5
117.07048	11.1
119.04939	3.4
119.08588	23.5
121.06501	7.5
121.10161	4.8
123.08060	5.4
124.14011	1.3
128.06232	5.3
129.07007	6.0
130.07779	3.0
131.04938	8.9
131.08586	13.0
133.06520	16.6
133.10139	15.0
135.08057	10.5
137.05937	1.8
137.09531	1.6
139.07533	3.7
141.07004	4.2
142.07817	8.2
143.08572	17.8
145.06479	6.0
145.10138	15.8
147.08038	14.9
147.11673	2.1
149.05983	3.7
149.09619	9.8
151.07542	3.7
153.06987	2.1
155.08572	10.2
156.09358	14.5
157.06540	1.9
157.10135	28.9
158.07253	2.5
159.08022	10.4
159.11761	7.5
161.05989	12.1
161.09660	12.2
163.07498	3.4
163.11154	4.2
165.06992	3.2
165.09105	3.5
167.08563	5.6
168.09361	4.9
169.04984	1.7
169.06377	2.0
169.10127	17.6
170.10951	11.1
171.08095	7.7
171.11707	63.7
172.08762	2.4
172.12135	2.4
173.05952	2.2
173.09645	14.6
173.13254	4.1
175.07562	6.6
175.11169	3.6
177.09114	4.7
178.07823	1.7
179.07048	6.4
179.08540	3.8
180.09357	3.5
181.10202	8.2
182.10930	4.1
183.08014	4.9
183.11720	36.7
184.08813	2.2
184.12424	2.3
185.09688	12.1
185.13268	45.2
187.07498	1.9
187.11140	5.8
189.05431	3.0
189.09077	2.0
191.07027	2.4
193.08652	2.8
193.10176	7.2
194.10947	2.7
195.08009	1.8
195.11694	11.6
196.12523	2.1
197.08072	2.5
197.09653	6.9
197.13312	10.7
198.10336	5.2
199.07501	3.2
199.11151	17.4
201.09039	2.9
201.12689	5.2
203.10641	2.8
203.14302	1.7
204.09320	1.7
205.04988	2.1
205.10274	2.2
205.12187	4.1
206.10913	2.8
207.11787	11.1
208.12448	2.9
209.09602	3.9
209.13217	6.2
211.09703	2.1
211.11282	14.8
213.09306	2.1
213.10808	2.5
213.12759	45.9
215.10677	2.3
216.09425	1.9
217.10173	5.2
217.12262	4.8
218.10899	3.4
219.11725	7.4
220.12444	4.3
221.13332	9.2
222.14076	1.7
223.11189	7.9
223.14705	3.9
225.09207	2.8
225.12730	4.6
227.10692	2.8
229.10278	2.7
229.12286	6.0
230.10884	3.7
231.11679	5.9
231.13814	3.7
232.12453	4.8
233.09628	2.5
233.13257	7.3
234.13921	4.5
235.11197	3.8
235.14879	6.9
237.12735	3.9
237.16324	2.4
239.10678	2.7
239.14102	1.9
241.12321	8.9
242.10791	1.9
243.11668	5.1
243.13818	10.6
244.12383	6.9
245.13202	9.7
245.15416	29.8
246.14041	6.6
247.11340	3.1
247.14903	8.8
247.17070	1.9
248.15669	1.9
249.12686	4.7
249.16508	9.6
251.14456	3.7
255.11485	2.5
255.13829	7.2
256.12381	2.3
257.13397	8.4
258.14044	8.2
259.11035	2.7
259.15085	12.6
260.11929	2.2
260.15491	6.5
261.12796	6.9
261.16595	8.5
263.10471	1.9
263.14279	5.2
263.18033	4.0
265.12231	3.1
267.14056	2.3
270.14035	3.6
271.10989	2.6
271.14877	4.5
272.11868	2.4
272.15674	4.2
273.12225	2.6
273.14966	20.3
274.13364	2.8
274.17273	2.5
275.14383	5.3
275.17902	6.7
276.14996	3.2
277.12396	3.7
277.15720	3.9
284.12103	2.1
284.15393	2.4
285.13080	2.8
285.16367	5.7
286.13455	2.4
287.14294	5.2
287.17899	4.7
288.14954	3.9
289.12198	2.7
289.15894	4.3
291.17337	4.8
293.15359	4.3
297.13037	1.9
297.16498	2.3
298.13513	2.9
299.14133	3.5
299.17456	2.6
300.15317	3.8
301.12363	2.5
301.15793	6.3
302.16489	3.0
303.10352	2.4
303.13748	5.6
303.17401	8.0
305.15140	1.9
305.18805	2.7
307.16940	2.2
309.18781	2.2
311.14243	2.2
313.12280	2.9
313.15720	5.4
314.16357	2.6
315.13834	3.4
315.17331	6.0
316.14432	2.0
317.15305	7.3
317.18881	3.6
318.16043	2.0
319.16827	6.6
321.18515	3.2
327.17401	3.6
329.15302	4.3
329.19016	5.1
331.13489	2.1
331.17014	11.3
332.17694	2.7
333.18619	9.1
341.15219	5.6
343.16809	4.6
345.14685	3.2
345.18478	6.7
347.16235	3.7
347.20062	3.9
349.17892	5.1
351.19611	3.1
355.17053	6.1
357.18533	2.6
359.16370	7.5
361.17676	7.7
363.15668	2.4
363.19614	5.6
365.17346	5.3
367.19064	4.4
371.16336	3.7
373.18027	11.3
375.19617	4.3
377.17300	14.8
377.21283	2.3
378.18201	2.4
379.14902	3.1
379.18991	5.4
381.20639	3.6
383.16614	4.4
387.19373	3.9
389.17429	4.8
391.19162	16.5
393.20563	3.1
395.18494	6.2
401.17657	9.4
403.19067	3.0
405.20505	4.9
407.18362	5.6
409.20148	10.0
411.21582	4.3
415.19116	4.1
419.18619	23.4
421.20059	1.8
423.21747	6.4
424.21521	1.8
433.20062	13.0
437.19675	19.9
439.21249	3.7
441.22729	8.1
451.15463	2.7
451.21213	35.6
455.20795	2.6
469.22223	24.6
471.23431	2.4
484.24628	2.2
491.24097	1.9
493.22192	5.2
497.21881	11.6
511.23193	5.9
529.24414	20.6
551.26282	5.5
557.23523	2.2
589.26270	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	689.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.9
55.01867	5.7
55.05268	4.8
55.05515	75.4
57.03435	3.1
61.02922	6.0
67.05505	17.9
69.03409	14.3
69.07057	9.0
69.51279	7.1
69.51691	14.4
70.06594	7.4
72.08132	5.0
79.05484	14.1
81.03411	12.4
81.07056	23.5
83.04985	100.0
83.08589	7.1
83.88480	3.0
85.02884	13.1
86.06042	5.3
91.05482	31.2
93.07057	21.9
94.62220	2.8
95.04961	11.2
95.08613	25.0
97.02856	5.5
97.06516	4.2
97.10133	4.8
99.04440	4.1
103.05465	4.9
105.07026	37.7
107.04936	10.6
107.08594	27.9
109.06513	16.4
109.10130	6.4
111.04418	4.1
111.44697	3.0
114.05528	16.7
115.05414	4.6
116.07063	11.6
117.07046	14.9
119.04962	3.1
119.08589	33.7
121.06489	10.5
121.10130	11.4
123.04436	3.7
123.08037	5.5
127.03939	3.8
128.06213	10.7
129.07005	10.8
131.04935	12.9
131.08586	29.2
133.06491	16.0
133.10144	17.5
135.08038	12.8
137.05995	4.0
141.06963	8.4
142.05003	4.4
142.07770	8.6
143.08575	25.0
144.06569	33.3
145.06541	11.9
145.10121	28.3
147.08084	15.1
147.11626	3.6
149.09618	11.3
151.07564	5.1
153.09108	3.9
155.08588	13.4
156.09378	16.3
157.10133	32.4
159.08043	18.7
159.11653	12.4
161.05945	14.1
161.09595	13.4
163.11198	10.7
165.06956	6.1
167.08543	9.2
168.09340	5.7
169.10139	25.7
170.10880	11.9
171.08066	18.0
171.11699	65.2
173.05956	5.4
173.09651	15.5
173.13301	5.6
175.07564	11.0
175.11179	7.4
179.08504	4.8
181.10152	10.0
182.10822	5.4
183.08057	4.9
183.11702	65.4
184.12306	6.4
185.09579	11.8
185.13261	41.6
187.07570	4.5
187.11162	13.6
193.10085	9.1
194.10837	5.4
195.11630	15.5
197.09557	10.6
197.13264	11.5
198.10289	3.9
199.07509	4.5
199.11234	16.3
201.09047	5.6
201.12750	9.5
203.10526	3.8
205.12247	4.9
207.11769	6.8
208.12476	4.7
209.09592	3.8
209.13261	11.6
211.11189	14.8
211.14857	4.6
213.12759	43.6
215.08647	3.6
215.10765	3.5
217.10193	3.9
217.12228	3.2
219.11612	8.8
219.13643	3.4
220.12395	4.8
221.09779	4.4
221.13251	13.2
222.14018	3.4
223.11189	7.9
223.14789	6.0
225.12730	5.0
229.10207	4.5
229.12244	13.5
231.11691	8.8
231.13753	5.2
232.12445	5.6
233.13362	15.1
235.11136	4.7
235.14752	10.8
237.12698	8.7
237.16315	8.8
241.12267	4.4
243.11676	6.1
243.13812	14.0
245.13252	12.5
245.15402	23.8
246.14108	7.9
247.14870	9.1
248.15750	3.9
249.12746	6.1
249.16391	9.4
251.14322	4.2
251.18011	3.9
255.13902	4.6
255.17438	6.9
257.11514	4.4
258.14050	4.9
259.11096	6.9
259.14780	12.8
260.11768	5.1
260.15628	3.8
261.12775	8.5
261.16479	16.4
263.14517	3.3
263.17929	8.4
271.10898	4.9
271.15112	6.5
272.15469	4.2
273.12363	6.1
273.14935	20.9
273.18570	6.0
275.14304	6.5
275.17984	9.8
277.12170	3.4
277.15784	4.6
279.17084	3.8
283.10904	5.2
286.13757	4.1
286.17078	4.0
287.14297	7.2
288.14975	4.9
289.16110	5.7
291.17395	11.3
293.19049	4.9
297.12729	5.5
300.14999	3.8
301.12204	3.4
301.15863	7.8
303.05121	8.4
303.17374	9.7
312.15115	4.2
313.15729	6.8
317.15442	5.4
319.16800	5.8
321.18417	7.8
323.19846	5.3
327.17419	6.1
329.15250	7.4
331.16992	16.2
333.18204	5.4
341.15298	3.5
343.16858	7.0
345.18503	5.9
347.22321	26.5
349.17841	9.3
353.21072	7.8
355.16583	6.9
355.23270	3.4
359.16498	8.6
361.17966	4.2
363.19586	7.3
365.23145	4.8
373.18158	21.9
375.19687	3.6
377.17325	9.8
379.19022	4.4
385.23816	4.6
387.19839	5.5
391.18939	15.6
401.17398	6.3
405.20532	8.0
409.20154	10.3
411.21469	8.8
419.18610	15.9
423.21442	6.2
433.20331	19.1
437.19482	9.8
451.21265	26.3
459.27356	5.9
469.22220	22.0
477.28201	8.7
493.22198	3.6
497.21149	3.8
511.23358	6.7
529.24438	17.5
541.26563	11.3
589.26868	3.9
602.34064	3.7
653.31055	4.1
664.63202	3.3
689.36603	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	689.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.6
51.34925	0.3
52.52653	0.2
53.03949	1.8
55.01878	1.0
55.05518	2.9
57.03417	0.2
61.73498	0.3
62.58506	0.3
65.03942	0.4
67.05506	0.5
69.03435	0.6
69.07069	0.5
73.97967	0.3
77.03923	0.7
79.05511	1.4
80.49761	0.3
81.03431	0.5
81.07059	0.8
83.04989	5.6
91.05492	2.3
93.07048	1.2
95.04967	2.5
95.08615	0.8
98.21524	0.6
102.04712	0.4
103.05475	44.9
104.05814	0.5
105.03407	2.1
105.04536	0.9
105.07039	5.0
107.04973	0.8
107.08602	0.6
109.06526	0.6
113.61665	0.3
115.05460	1.1
117.07022	1.3
119.04948	0.3
119.08566	2.0
121.06520	1.0
121.10172	0.5
123.04446	0.5
125.06022	0.4
128.06262	0.9
129.06972	1.4
131.04936	100.0
131.08545	1.7
132.05275	1.0
133.06509	2.9
133.10179	1.0
135.04428	0.4
135.08058	0.6
137.05962	0.4
141.06972	0.7
142.07787	1.1
143.08586	2.3
144.08003	0.3
145.06500	1.4
145.10149	1.1
147.08057	0.9
149.05975	1.6
149.09628	0.5
153.05484	0.5
153.06979	0.7
154.07780	0.3
155.08582	1.7
156.09381	1.4
157.10127	2.3
158.07251	0.5
159.08057	1.4
159.11684	0.9
161.05995	13.2
161.09615	0.5
163.07581	0.7
163.11186	0.5
165.06979	0.7
166.07800	0.4
167.07101	0.4
167.08586	0.7
168.09349	0.3
169.06471	0.6
169.10139	1.7
170.10832	0.3
171.08067	1.2
171.11736	2.7
172.08839	0.6
173.06042	0.8
173.09631	1.3
173.13231	0.4
175.07591	0.4
177.05460	1.4
177.09142	0.6
179.07077	0.6
179.08549	1.1
179.62741	0.3
180.09308	0.7
181.06662	0.4
181.10092	0.9
182.07225	0.3
183.08113	0.9
183.11694	1.7
184.08867	0.8
185.05986	0.4
185.09615	1.3
185.13251	1.0
187.07620	0.5
187.11234	0.6
189.09230	0.3
191.10695	0.3
192.09334	0.5
193.10110	1.0
195.06567	0.6
195.11646	1.2
196.08800	0.5
197.09628	1.4
197.13216	1.6
198.10524	0.4
199.07616	0.3
199.11188	2.4
201.05507	0.4
201.09181	0.4
201.12796	0.4
203.08780	0.3
204.09393	0.3
207.08211	0.3
207.11731	0.8
208.12250	0.3
209.09743	0.5
209.13187	0.5
211.07515	0.5
211.11177	0.9
213.09090	0.9
213.12764	1.7
215.06967	1.4
215.10719	0.8
216.09282	0.4
217.08559	0.9
217.10361	0.4
218.11018	0.4
219.11798	0.5
221.13095	0.7
223.11217	0.8
225.09126	1.3
225.12727	0.6
227.10681	0.8
229.10304	0.6
229.12302	0.6
231.11867	0.4
235.11241	0.7
235.14886	0.4
237.12744	0.8
239.10709	0.4
241.12268	0.6
243.10072	2.4
244.12453	0.5
245.13405	0.7
245.15498	0.6
246.13811	0.4
247.11320	0.7
247.14777	0.5
251.10815	0.3
251.14319	0.5
253.12254	0.5
255.13965	0.3
256.33508	0.3
257.13419	0.3
258.14261	0.4
261.11151	0.5
263.14319	0.5
268.12610	0.3
272.15378	0.4
275.10699	0.4
275.14130	0.4
279.13922	0.5
281.11823	0.4
293.11749	0.6
315.13617	0.4
329.15231	0.5
333.14767	0.6
333.18460	0.4
339.13953	0.4
341.15378	0.5
345.14352	0.9
347.16348	0.6
359.16467	0.4
361.18143	0.5
363.14520	1.1
373.18033	0.5
375.15765	1.1
377.17422	0.5
389.17258	0.5
391.19144	0.4
393.16843	0.5
403.15244	1.1
421.16049	2.2
437.19659	0.5
439.17480	0.8
447.17139	0.4
451.20966	0.4
517.24158	0.7
523.19592	1.6
539.19104	0.8
541.20508	1.1
557.20099	3.2
639.27783	0.4
653.30304	1.4
671.24335	1.9
689.25769	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.3
55.05516	3.6
57.07073	3.3
67.05513	8.0
69.03420	4.1
69.07082	2.4
71.55383	2.0
79.05505	9.2
81.03426	5.2
81.07079	7.2
83.04990	3.0
83.08614	2.2
89.06043	3.3
91.05490	6.3
93.07068	8.7
95.04951	4.1
95.08604	5.2
97.02877	2.6
97.06503	2.2
105.07048	5.5
107.04984	2.9
107.08592	3.5
109.02847	1.9
109.06563	1.9
109.10151	3.1
111.04436	1.8
115.71301	1.3
117.07034	3.3
119.08598	4.4
121.10171	5.4
127.03913	2.0
129.05482	1.5
129.06963	2.7
131.08563	3.1
133.08607	2.2
133.10144	4.6
135.11745	2.7
145.10138	2.4
147.08043	1.9
147.11726	3.5
149.09570	1.4
171.11668	2.5
184.07288	2.0
211.13243	1.9
335.25757	3.1
384.12369	2.2
385.12946	3.6
397.12653	1.7
398.13803	5.8
399.14502	9.9
400.15424	15.0
412.15536	5.1
413.16214	13.9
414.17020	8.1
418.17502	2.4
426.17163	2.0
427.12579	1.3
427.18192	16.3
428.18573	15.8
429.19116	6.4
441.15533	5.5
442.16422	10.7
455.17126	31.2
456.17813	15.3
458.15665	2.3
459.16562	5.0
460.17526	1.8
469.14880	3.6
471.16675	1.6
473.18558	1.9
483.16608	24.0
484.16901	9.2
485.17389	2.3
487.15131	2.0
488.16556	2.1
499.16089	5.7
500.16565	2.7
501.17645	1.9
510.15540	1.9
510.23413	1.7
515.19049	2.4
523.16418	1.9
524.16431	2.1
527.15613	29.1
527.37012	2.8
528.15851	17.0
539.19281	11.8
543.22540	15.7
571.21948	100.0
572.21777	6.3
574.23877	6.2
587.20941	2.0
601.22931	6.1
602.23645	27.9
615.20148	2.6
617.26416	1.9
629.22314	30.2
630.22821	73.4
631.22644	5.4
633.24780	1.9
657.21954	59.7
658.22144	4.2
661.24750	6.6
671.26990	2.2
689.24609	24.8
689.42517	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	688.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17595	43.8
67.05505	100.0
71.54872	50.9
79.05518	53.6
81.07080	68.8
89.06029	75.5
95.08593	90.4
115.25762	49.9
116.51033	43.5
121.10139	56.1
124.11980	50.1
133.08577	66.0
171.70880	39.9
420.21857	58.0
625.44489	86.3
689.33472	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.01863	2.0
55.05519	17.6
57.07080	4.4
67.05511	15.8
68.05828	1.9
69.03442	2.8
69.07079	9.6
71.04369	2.8
71.04994	2.9
79.05499	21.1
81.03429	4.0
81.07067	47.6
83.04993	16.1
83.08628	5.3
85.06533	2.0
89.06052	6.2
91.05486	18.7
93.07049	20.5
94.07919	1.3
95.04975	4.6
95.08623	24.5
97.06560	2.9
97.10178	6.4
99.08083	1.6
101.05994	1.7
103.05463	1.4
105.07047	22.7
107.04966	3.5
107.08598	28.4
109.06535	17.3
109.10166	20.6
111.08094	2.8
115.05479	2.0
117.06999	8.7
119.07798	2.2
119.08591	32.5
121.06534	2.4
121.10144	25.0
123.08064	4.1
123.11719	7.0
125.09657	4.9
128.06226	4.3
129.07025	7.5
130.07811	2.1
131.08569	16.8
132.65018	1.5
133.06512	2.2
133.08588	3.9
133.10158	19.2
135.08057	8.5
135.11699	15.7
137.09627	1.9
137.13222	4.3
141.06993	2.5
142.07803	5.2
143.08585	12.3
145.06496	2.4
145.09033	2.5
145.10138	35.2
145.11288	2.0
147.08047	6.6
147.11682	10.9
149.09633	12.8
149.13297	4.1
151.07553	1.4
153.07037	1.9
153.09084	2.5
155.08577	6.6
156.09326	3.2
157.10123	25.9
158.10892	1.9
159.08105	2.8
159.11708	26.4
161.09634	7.7
161.13293	7.2
163.11243	6.7
165.12729	1.7
167.08611	3.2
168.09296	1.6
169.10150	12.0
170.10855	1.4
171.11690	16.2
173.09636	4.6
173.13258	15.7
175.11235	6.7
175.14880	7.2
177.11243	2.9
177.12778	1.5
179.08635	2.4
179.10606	1.5
181.10153	5.2
182.10951	3.3
183.11725	13.6
184.12543	1.8
185.09631	3.8
185.13232	10.9
186.14055	1.8
187.11212	5.1
187.14824	24.0
188.15565	1.6
189.11267	1.9
189.12827	3.5
189.16400	3.0
191.10704	5.9
193.10118	2.9
193.12267	6.0
194.10890	1.8
195.11659	7.0
196.12514	3.3
197.09653	1.4
197.13297	16.9
199.11188	3.4
199.14844	9.3
201.12744	6.3
201.16408	11.3
203.14363	3.3
205.15877	3.1
207.11723	4.4
208.12471	2.2
209.13300	6.5
211.14891	9.3
213.12781	2.7
213.16367	8.2
215.14297	5.9
215.17889	1.8
219.13725	2.8
220.12531	1.7
221.13249	5.2
222.14026	1.4
223.14908	6.4
225.12779	4.9
225.16335	6.9
227.12810	4.9
227.14632	2.2
227.17975	16.1
228.18750	6.2
229.14191	2.1
229.16147	2.3
229.19553	11.3
233.13248	2.9
235.14897	2.8
237.16353	3.7
239.14369	1.9
239.17915	2.0
241.15901	2.7
241.19525	1.8
243.13902	3.6
243.17496	2.3
247.14810	2.5
249.16446	4.1
251.14339	1.7
251.17947	3.8
253.15891	1.4
253.19556	7.3
254.17616	1.5
255.17389	2.2
255.21063	3.4
261.16290	2.2
263.17978	3.2
265.15906	3.2
265.19510	2.0
267.17532	1.8
269.18909	2.5
271.17419	2.2
271.20593	39.4
275.17908	1.6
277.19507	2.8
279.17435	2.4
281.18991	2.2
283.17068	2.2
289.19559	1.3
291.20761	5.3
293.22604	7.0
298.47507	1.5
303.20975	1.8
305.19080	1.9
309.22079	2.5
311.23682	1.5
317.22711	2.5
319.24097	2.1
321.22116	2.3
333.25787	8.1
335.23590	9.7
337.25348	4.6
343.23901	1.5
351.26740	4.1
361.25311	25.3
379.26358	100.0
380.26553	3.6
409.27420	1.7
415.29819	3.3
421.27252	1.8
433.31030	20.1
439.28522	55.8
440.28912	1.8
441.30179	1.7
451.32120	11.8
461.30417	2.6
479.31555	8.6
493.33414	2.5
511.34473	3.3
521.32666	2.8
539.33807	35.4
546.94550	1.7
551.37067	1.9
585.92163	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.3
55.01875	7.0
55.05515	14.7
61.02916	6.7
65.58550	4.3
67.05514	14.0
69.03431	20.3
69.07079	14.6
70.06593	7.8
71.01358	44.1
71.05013	5.2
79.05499	18.9
81.03419	20.2
81.07068	20.8
83.04986	17.3
85.02921	41.7
85.40458	5.2
86.06062	7.3
91.05477	40.4
92.92077	4.4
93.07059	20.9
95.04969	26.4
95.08627	12.8
96.08105	9.8
97.02917	11.8
97.06547	11.4
98.06075	7.1
99.00829	13.1
99.04468	9.7
101.02390	100.0
103.05476	11.9
105.07037	32.2
107.04955	18.2
107.08610	15.8
109.02877	16.6
109.06516	12.3
109.10164	6.8
110.09706	8.0
111.04465	13.4
115.05536	8.2
117.07034	14.0
119.04948	9.4
119.08585	33.2
120.08144	8.3
121.06499	13.1
123.04429	7.1
123.08067	5.4
125.05997	6.9
127.03939	7.8
128.06238	6.1
129.07036	10.4
131.04929	11.6
131.08595	17.9
133.06508	18.9
133.10143	12.5
135.04387	7.7
135.08080	19.0
137.06029	11.1
138.09129	10.8
139.03922	22.7
142.07761	6.6
142.12288	7.5
143.08554	11.5
145.06461	8.3
145.10153	26.2
147.08043	19.2
147.11761	6.9
149.05991	20.7
149.09636	8.3
151.07556	8.8
153.05515	6.0
155.08517	14.1
156.09355	9.3
157.10092	22.4
159.08069	26.9
159.11693	11.2
161.06023	16.8
161.09593	6.1
163.07516	10.1
163.11227	7.7
165.07008	9.4
165.09135	9.7
166.08640	28.5
167.07042	9.7
167.08565	7.2
168.09294	8.0
169.10101	21.7
170.10837	6.0
171.08080	10.4
171.11723	27.4
172.08800	7.3
173.09625	48.6
175.07498	9.2
175.11310	6.0
177.05473	5.6
179.07047	6.2
179.08566	10.7
180.09375	6.4
181.10150	11.3
183.08087	10.8
183.11708	38.8
184.08810	6.7
185.09644	23.2
185.13272	14.4
186.10385	15.3
187.11185	46.9
189.09126	10.4
193.10118	9.7
194.11049	5.7
195.08188	5.6
195.11699	12.3
196.08873	12.6
197.09618	33.1
197.13150	7.8
198.10461	11.9
199.07671	6.4
199.11232	38.4
201.09143	9.8
201.12766	10.2
203.10762	10.3
205.10185	5.1
206.10759	5.4
207.11664	10.7
209.09767	8.4
209.13260	8.6
210.10406	4.9
210.18568	15.6
211.11197	70.4
212.16444	37.8
213.09155	20.8
213.12735	36.4
215.10754	16.3
216.30440	5.1
219.11731	6.4
221.09671	6.7
221.13155	8.8
223.11252	18.4
223.14798	9.4
225.09351	5.8
225.12756	16.0
227.10684	16.5
229.12247	52.6
231.10016	9.7
232.12428	4.8
235.11176	8.8
236.16483	11.0
237.12727	25.4
237.16237	4.8
239.14342	8.6
241.12338	6.9
243.13945	6.3
245.11684	78.9
245.15475	5.6
247.11261	6.6
247.13206	28.0
249.12822	10.2
251.14363	12.3
253.12425	6.4
254.17433	8.0
255.13844	10.1
257.11789	16.3
261.12720	9.7
265.12134	6.5
267.13712	6.9
269.15311	9.5
271.13391	19.5
272.18558	97.1
273.14999	11.1
277.15698	5.3
279.13904	5.9
285.12555	9.7
287.12866	7.0
288.15109	5.3
289.14423	17.0
291.17422	5.8
297.14999	10.5
315.13568	7.3
332.16330	6.3
341.17239	6.1
343.17050	7.3
347.16190	9.6
348.15854	12.4
361.18109	10.7
371.16235	7.5
375.19543	6.3
377.17480	8.8
379.19131	6.0
387.17789	5.9
389.17194	23.0
391.19006	5.8
393.16470	4.8
403.18323	5.8
407.18585	7.4
414.20691	4.8
416.22653	6.2
421.19910	9.6
425.19427	5.4
431.18622	7.1
435.17767	5.1
447.20154	9.0
449.19763	16.4
453.19324	9.1
460.21609	10.0
467.20721	12.8
481.22040	5.6
485.21866	8.3
494.19574	7.1
509.21631	7.8
520.23645	10.0
527.22589	12.0
569.23676	13.3
587.24866	8.4
688.35828	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	688.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01891	0.6
61.02938	0.8
69.03419	1.4
70.47160	1.2
78.04728	0.8
79.05494	1.9
80.05006	0.8
81.03429	1.6
81.05791	0.8
82.06577	1.7
85.02903	3.9
87.00850	0.7
89.03948	0.8
89.82220	0.6
91.05477	1.0
93.05774	0.6
93.07043	1.9
94.06567	3.6
95.07346	1.8
96.08130	8.3
97.02885	1.3
97.06551	0.8
97.57607	0.6
103.05489	1.6
105.07022	1.5
106.06586	1.4
106.77768	0.6
107.04952	1.6
108.04482	2.7
108.08121	7.3
109.02892	0.9
110.09669	7.8
115.05499	0.6
116.04987	2.8
120.08109	5.7
122.06029	6.1
123.04411	1.3
124.07598	25.8
127.03937	1.8
131.04924	1.4
132.04454	0.6
132.54919	0.6
133.06473	1.0
136.06140	0.8
136.06563	0.7
136.07587	7.2
137.05995	0.7
138.05547	0.7
138.09142	13.6
144.04480	4.7
145.05032	0.9
145.06477	1.2
146.06004	7.1
148.07562	4.2
151.07431	0.7
152.04622	0.7
152.07076	4.8
160.03940	3.6
161.06001	1.7
162.05510	1.2
163.07578	3.0
166.07623	0.5
166.08644	25.5
167.07042	26.6
168.06534	3.3
172.03931	21.6
173.04671	1.0
174.05507	5.4
178.04961	0.7
181.08585	1.8
187.07626	0.8
190.04988	34.7
193.08582	4.9
196.10005	0.6
204.06573	20.7
205.08588	1.0
206.08162	2.3
223.12303	1.3
233.11751	0.8
236.09489	1.7
245.12903	0.8
249.11319	1.0
250.11214	0.9
251.11819	3.4
253.09846	1.1
253.13551	0.9
255.11244	0.8
264.08957	1.0
267.11462	1.6
279.11258	5.1
281.09180	2.6
281.12234	0.7
285.12460	1.9
287.10257	2.7
295.10815	2.0
297.12344	12.6
299.10303	4.4
301.11780	1.1
307.10751	3.1
311.10144	1.1
313.11765	3.5
323.10196	8.8
325.11835	57.3
329.11334	14.9
329.14987	1.1
341.11331	6.6
343.12778	3.5
355.15695	4.5
357.14386	2.1
361.13907	4.4
373.13864	3.2
387.18103	3.1
405.19113	11.4
448.18750	1.3
450.20377	1.1
452.18179	2.7
466.20059	1.0
476.18106	7.7
487.17355	3.1
494.19235	100.0
495.19614	1.8
508.20847	4.1
512.20435	1.0
526.21759	9.1
644.09229	0.8
670.25732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00259	0.6
67.29277	0.5
69.03423	1.8
70.06570	0.7
70.76894	1.5
79.05492	1.1
80.05024	0.8
80.77084	0.6
81.03424	1.2
81.05788	0.9
82.06577	2.0
84.08119	0.7
85.02894	2.3
87.04460	1.2
91.05491	1.7
93.07055	1.5
94.06580	3.5
95.07384	1.3
96.08140	5.6
97.02891	0.9
103.63460	0.5
104.07106	1.2
106.06547	1.7
108.04491	10.3
108.08143	5.7
110.09691	5.8
116.04972	2.0
120.04486	0.7
120.08119	5.5
122.06023	8.0
124.07608	25.3
131.04933	0.8
136.07608	7.7
137.05951	0.8
138.09158	12.4
140.07034	1.3
144.04460	4.3
146.06021	8.2
148.07549	2.8
150.05534	1.6
152.07069	4.6
160.03976	2.8
162.05502	1.3
163.07597	0.9
166.08667	11.5
167.07054	3.8
168.06580	11.4
172.03943	18.6
173.04738	1.4
174.05518	8.6
190.05003	34.3
191.05710	0.9
201.05539	0.6
204.06573	22.6
204.08475	1.2
206.08145	7.6
207.09175	0.8
223.12302	1.2
236.09348	1.3
239.11682	0.8
251.11778	2.7
252.08876	0.9
264.09015	1.0
267.11331	1.0
278.10510	1.1
279.11279	6.3
287.10114	1.3
295.10788	1.7
297.12378	13.1
299.10251	1.7
307.10779	5.3
311.10236	0.7
313.11801	3.0
323.10193	6.3
325.11844	63.8
326.12225	1.4
329.11389	2.2
341.11359	5.8
343.12875	4.2
357.14185	0.9
361.14224	1.3
361.89026	0.8
373.13864	5.2
405.19452	0.7
443.02167	0.6
448.18784	0.7
452.18179	1.2
466.19916	1.2
476.18027	3.5
494.19266	100.0
495.19672	1.6
508.20834	4.6
512.20123	3.0
526.21875	17.9
673.34442	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35648	0.5
53.03945	2.8
55.01867	3.2
55.05504	2.6
62.94881	0.6
67.05506	3.5
69.03430	1.5
69.07052	1.8
69.24448	4.0
69.24863	1.5
69.85286	0.6
73.37137	0.7
76.63227	0.7
77.03919	1.0
79.05495	3.0
81.03424	3.2
81.07042	3.9
83.04980	2.4
83.38065	0.6
91.05490	7.1
91.63219	0.6
93.07050	4.1
95.04970	4.0
95.08611	2.1
97.06526	0.5
102.04649	0.7
103.05472	41.4
104.05833	0.8
105.03391	1.4
105.04509	1.0
105.07047	4.5
107.04945	1.6
107.08612	3.3
109.06535	0.8
109.10191	0.8
115.05457	2.7
116.06252	0.8
117.07033	4.2
119.08598	7.0
121.06528	1.1
121.10124	1.1
128.06258	1.3
129.07016	3.8
130.07773	1.0
131.04935	100.0
131.08554	5.1
132.05247	1.4
133.06502	0.7
133.10143	4.7
135.08051	1.5
141.07040	0.7
142.07771	2.1
143.08565	4.0
144.08150	0.6
145.06505	2.8
145.10115	4.0
146.10680	0.8
147.08052	14.6
149.09630	1.5
153.07016	0.9
155.08557	2.1
156.09364	2.6
157.10159	6.1
159.08090	8.5
159.11748	2.0
161.09656	9.0
163.07568	1.9
163.11198	1.6
169.10100	3.4
170.10942	2.4
171.08038	2.9
171.11702	10.4
172.11948	0.6
173.06042	1.0
173.09644	4.3
175.07545	2.2
175.11218	0.9
181.10068	1.2
183.11697	5.6
185.09618	3.4
185.13255	7.2
187.11140	1.9
189.09151	1.1
193.10146	1.3
195.11719	1.6
197.09601	2.0
197.13283	1.7
198.10431	1.0
199.11147	3.5
201.09103	0.9
201.12820	1.0
205.12273	0.7
207.11670	1.4
211.11227	1.4
213.12749	8.2
215.10793	1.0
217.10229	0.8
217.12207	1.3
221.13348	0.8
221.95929	0.6
223.11211	1.4
223.14931	0.8
227.10629	0.9
229.10115	0.9
231.13834	2.0
235.14696	0.9
237.12770	0.8
241.12286	1.9
243.11671	1.3
243.13898	1.6
245.13284	0.6
245.15388	7.1
246.10529	0.8
247.14865	0.7
255.13895	1.4
259.13272	1.3
268.12592	0.8
269.13361	0.9
270.13916	0.9
271.11099	0.9
273.14896	5.0
274.13696	0.7
275.14343	1.1
277.15945	1.0
281.12918	0.6
282.10590	0.7
285.12762	1.4
286.13623	0.7
287.14197	1.4
289.15729	0.9
297.12613	0.9
299.14377	2.0
301.15970	2.1
303.13770	0.8
311.14410	0.9
312.15027	1.2
313.15729	1.2
315.17520	0.9
317.19016	1.0
326.16696	1.0
327.17343	3.1
328.18137	0.8
329.15387	1.6
329.18991	0.9
331.20435	0.9
341.19174	3.2
345.18405	1.5
357.18637	2.2
359.20074	1.9
361.17993	0.8
369.18393	2.4
373.17990	0.8
387.19406	3.9
389.21078	2.6
391.22595	1.8
401.21140	4.3
405.20602	1.8
419.22269	5.9
423.21719	0.9
437.23422	1.4
447.21771	0.8
465.22897	0.8
479.24295	2.5
539.26129	1.6
623.25604	0.7
637.27081	1.5
655.27374	1.4
669.30212	1.5
687.28961	1.2
687.40973	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	687.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23741	1.3
52.32166	1.3
53.03955	7.3
55.01875	5.4
55.05271	2.6
55.05519	44.2
65.03930	2.3
67.05511	4.6
69.03437	3.1
69.07059	3.3
72.08151	9.2
74.09729	5.0
77.03938	2.3
79.05496	8.0
81.03429	4.5
81.07060	3.7
83.04989	75.3
84.49004	1.4
88.65125	1.4
91.05493	17.3
93.07032	4.2
95.04978	9.0
95.08600	3.5
98.21561	2.7
103.04793	2.6
103.05476	47.0
105.03403	28.6
105.04505	2.7
105.07045	16.4
107.04958	3.3
107.08611	4.3
109.06535	4.1
115.05476	6.6
116.06229	1.4
117.07025	12.2
119.08599	13.7
121.06531	5.7
121.10104	2.4
121.44656	1.4
126.09515	1.5
128.06218	2.8
129.07008	11.0
130.07829	1.8
131.04936	100.0
131.08582	11.8
133.06471	7.7
133.10158	12.6
135.08058	4.0
137.05942	2.5
141.07025	5.4
142.07794	5.3
143.08562	10.8
145.06508	12.7
145.10164	9.6
146.07198	1.7
147.08063	28.0
149.06029	1.9
149.09631	4.7
153.06966	1.5
155.08557	4.9
156.09369	6.2
157.06497	2.5
157.10123	15.5
158.07291	2.2
159.08069	16.9
159.11707	5.9
161.06000	19.5
161.09639	15.2
163.07581	8.3
163.11208	2.4
165.07022	3.1
167.08496	3.5
169.06453	1.7
169.10147	8.7
170.10925	5.6
171.08086	5.9
171.11697	27.5
172.08768	1.7
173.06029	4.5
173.09674	10.6
173.13271	1.8
175.07579	6.3
175.11154	2.3
177.09113	2.0
179.07054	2.2
179.08563	3.6
180.09415	3.1
181.10161	4.2
183.08083	4.2
183.11713	17.6
184.08875	4.4
185.09714	11.9
185.13278	17.3
187.07591	4.8
187.11179	6.7
189.09114	4.2
191.10666	1.9
193.10121	4.8
194.10965	1.8
195.08083	2.0
195.11729	5.7
197.09683	4.5
197.13297	4.8
199.11172	12.6
200.11899	2.2
201.09160	3.1
201.12749	2.9
203.10709	1.9
204.09425	2.0
206.10936	2.0
207.11732	4.6
209.09613	3.3
209.13255	4.8
211.11195	5.5
213.09120	2.5
213.12744	16.4
215.07053	3.9
215.10721	2.8
215.14313	2.4
217.10327	2.1
217.12274	2.7
219.11754	3.3
221.13318	2.5
222.14026	1.7
223.11266	4.6
225.12859	1.7
227.10719	4.5
229.10210	2.7
229.12254	6.0
230.10933	1.9
231.11859	1.9
231.13815	14.5
233.13333	4.9
235.11113	2.5
235.14844	3.7
237.12831	2.2
239.10666	2.4
241.12187	9.0
243.09973	2.6
243.13945	2.2
244.12390	2.3
245.11581	3.2
245.15485	1.9
246.10390	2.7
247.14990	2.3
249.12735	3.2
251.10770	1.7
251.14258	2.2
254.11214	2.3
255.11661	1.8
257.13403	2.1
258.14075	2.1
259.13138	13.4
261.12888	3.2
261.16208	2.0
263.14236	1.9
272.12155	3.2
273.14874	6.4
274.13486	2.5
283.14761	3.1
285.12543	2.2
285.16101	1.5
286.13452	2.2
287.14368	3.3
289.12216	2.2
289.15948	2.2
297.12738	2.4
299.14288	1.8
301.15829	5.8
303.13727	2.7
303.17325	2.9
304.39444	1.5
311.14206	1.8
312.15112	2.5
313.15915	3.0
315.14023	1.7
315.17514	2.4
316.14725	1.6
317.18842	2.1
319.17014	2.5
327.17410	5.7
328.18222	2.3
329.15271	3.8
329.18988	2.1
331.16693	2.7
341.19012	2.6
342.16080	2.1
343.16791	2.8
345.18579	6.2
346.19046	1.9
347.16412	4.5
357.18588	6.1
359.19962	3.8
361.18024	3.4
369.18430	5.7
371.16058	2.1
375.19662	7.6
377.21207	8.4
379.19183	2.1
387.19577	20.0
391.14981	2.0
403.19571	3.3
405.20596	22.5
417.20776	2.8
421.20328	3.5
435.21622	4.4
447.21536	4.3
465.22958	5.6
567.30389	1.6
587.26080	4.6
603.22247	4.0
669.30371	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	687.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97339	0.5
51.02389	1.0
53.03944	2.0
55.01875	2.0
55.05504	2.5
65.03937	1.0
67.05508	1.8
69.03433	3.6
69.07080	1.2
77.03915	1.0
79.05502	4.2
81.03416	1.3
81.07065	1.9
83.05003	3.6
83.08634	0.6
83.97241	0.5
85.59052	0.5
91.05485	7.0
93.07050	3.7
95.04972	4.9
95.08628	2.8
100.42689	0.6
103.05479	49.4
104.05841	0.6
105.04554	1.1
105.07033	10.7
105.07686	0.9
107.05000	1.3
107.08605	3.4
109.06528	2.3
111.04436	0.7
115.05470	2.4
116.06294	0.6
117.07026	5.7
119.04930	0.8
119.08574	5.7
121.06522	1.9
121.10157	1.9
128.06241	1.7
129.07014	3.7
130.07811	1.0
131.04939	100.0
131.08585	4.8
132.05280	1.4
133.06499	4.0
133.10143	10.2
135.08084	2.7
141.07008	2.4
142.07806	3.9
143.08580	6.3
145.06520	3.6
145.10129	6.1
146.07158	0.7
147.08067	5.0
147.11681	1.0
149.09625	2.4
153.07011	0.7
155.08557	3.6
156.09343	4.9
157.06546	0.7
157.10123	9.5
158.07251	0.9
159.08067	4.1
159.11705	4.6
161.05978	7.4
161.09631	5.7
163.07555	7.3
163.11189	2.0
165.07013	2.3
165.09137	0.6
167.08566	1.5
168.09392	1.5
169.10143	5.2
170.10905	4.5
171.08070	4.8
171.11700	16.0
171.13148	1.0
172.08833	1.5
173.09644	5.5
173.13272	2.0
175.07567	2.3
175.11206	1.6
177.09158	3.3
179.07043	0.9
179.08522	1.5
180.09380	1.4
181.10144	2.5
182.10817	1.1
183.08038	1.5
183.11716	17.8
184.08846	1.6
184.12477	0.6
185.09677	4.5
185.13275	13.3
186.10429	0.9
187.07523	1.6
187.11191	4.5
189.05482	2.7
189.09146	3.0
191.07040	0.7
191.10712	0.7
192.09178	1.4
193.10156	1.8
194.10930	0.9
195.08098	0.6
195.11696	5.9
197.09637	3.0
197.13298	4.8
198.10400	3.2
199.07620	0.7
199.11192	7.0
200.11960	1.7
201.09152	2.5
201.12817	3.6
203.10687	1.2
203.14343	0.6
205.10248	0.7
205.12228	1.3
206.10934	1.3
207.11783	2.6
207.13544	0.6
208.08878	0.7
208.12486	1.3
209.09648	1.4
209.13287	2.3
211.11206	4.2
211.14903	0.8
213.09134	2.1
213.12753	27.8
215.08896	0.8
215.10712	2.5
215.14343	0.7
217.08534	1.4
217.10355	0.9
217.12215	1.2
218.10846	1.0
219.11726	1.6
220.12450	1.4
221.09720	0.6
221.13364	2.8
222.10345	0.6
222.14130	0.6
223.11145	2.7
223.14896	1.5
224.12094	0.7
225.09026	0.6
225.12807	1.0
229.10255	1.0
229.12236	1.6
231.10165	2.4
231.11969	1.1
231.13885	2.0
232.12398	1.0
233.13440	2.8
234.14052	1.1
235.11223	1.2
235.14886	1.9
237.12787	1.7
237.16383	0.7
239.10733	1.0
239.14291	1.0
241.12277	4.5
243.11818	1.1
243.13844	2.2
244.12430	1.8
245.13277	1.9
245.15439	5.7
246.14098	0.9
247.11182	1.0
247.14850	2.5
249.12798	1.4
249.16447	2.0
251.10660	0.6
251.14304	1.5
251.17784	0.8
253.12361	1.1
255.13869	4.6
256.12286	0.8
257.13229	1.8
257.15530	1.0
258.14066	0.8
259.11014	0.8
259.13144	0.8
259.14893	2.0
261.12656	0.9
261.16559	1.4
262.13507	0.6
263.14127	0.7
267.13956	0.9
269.13254	0.8
271.14890	1.3
273.11987	0.9
273.14825	18.3
275.12589	3.0
277.15927	1.1
279.13672	0.6
283.14539	0.7
285.12741	1.4
285.16367	0.8
286.13397	0.7
287.14487	1.0
287.17975	1.2
289.15692	1.1
291.16098	1.9
296.15500	0.8
297.16086	0.7
299.14273	0.8
300.14865	0.9
301.15704	1.1
303.13730	1.1
303.17410	0.6
305.15292	1.1
305.18875	0.7
307.16760	0.7
313.15964	0.8
314.16724	0.6
315.13937	1.1
315.17419	1.3
317.15250	1.8
319.13678	0.7
319.16977	2.7
323.20154	0.8
327.17303	0.7
329.15308	1.1
329.18961	1.4
331.17014	2.3
333.18463	3.0
334.19388	0.7
337.18076	0.9
342.16162	1.6
343.16888	5.1
345.18387	1.5
347.20074	1.3
351.19556	0.9
357.18500	6.8
359.18970	0.8
361.18149	5.0
367.15524	0.6
373.18030	1.8
375.19678	5.9
379.19086	1.8
385.17957	3.0
393.21045	1.0
403.19067	8.0
405.20615	2.3
407.22675	1.0
417.20609	5.3
421.20221	3.1
423.21521	0.6
435.21768	9.8
447.21497	0.8
453.22824	3.6
467.20578	0.9
507.23557	0.7
521.25452	1.3
539.26373	0.8
655.27936	0.7
669.30408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	3.6
53.03933	10.5
55.01855	15.0
55.05491	7.3
65.03918	3.4
67.05506	7.6
69.03077	3.9
69.03430	32.0
69.07077	3.1
79.05482	7.8
81.03418	12.4
81.07061	7.6
83.04968	14.3
85.04487	2.7
91.05487	32.5
93.07021	13.3
95.04984	19.3
95.08623	4.8
98.20772	7.0
103.05467	7.4
105.02717	6.6
105.03394	100.0
105.04473	6.5
105.07037	23.2
107.04941	9.6
107.08607	6.2
109.06535	4.1
115.05460	14.8
117.07034	20.8
119.08584	33.8
121.06504	6.1
121.10156	5.0
128.06221	12.4
129.06999	20.6
130.07750	3.5
130.18533	3.1
131.04922	8.6
131.08556	26.6
133.10124	23.8
140.30490	3.1
141.06975	9.9
142.07770	9.9
143.08557	25.0
144.05688	3.9
145.06494	26.1
145.10150	20.6
147.08054	74.3
149.09566	8.3
153.06973	3.2
155.08553	8.9
156.09337	10.5
157.10109	33.5
158.07254	4.2
159.08073	43.0
159.11696	4.3
161.09628	43.2
163.07509	10.2
163.11140	3.7
165.95805	3.0
167.08565	5.6
168.09296	4.0
169.10100	15.8
170.10905	9.0
171.08034	12.1
171.11667	46.9
173.06073	7.7
173.09644	29.4
175.07538	20.6
179.08559	6.2
180.09180	4.6
181.10158	7.8
182.11021	3.5
183.11723	38.0
184.08897	3.8
185.09660	17.6
185.13272	43.6
187.07568	7.0
187.11125	12.1
189.09100	4.0
191.10652	5.3
193.10175	3.6
195.11693	9.5
197.09650	10.5
197.13225	8.6
199.11185	22.3
205.12186	4.9
207.11699	6.3
209.09523	4.2
209.13315	5.0
211.11163	8.3
212.16330	3.2
213.09232	3.5
213.12776	43.4
215.10634	4.3
218.10931	5.5
221.13185	4.2
223.11232	5.8
225.12830	6.1
227.10715	4.7
229.10054	4.8
229.12291	7.7
231.11812	4.8
231.13811	8.0
233.13283	4.4
235.11172	3.3
237.12727	4.9
239.10764	6.3
241.12239	6.5
243.11743	7.3
243.13853	5.9
245.09621	4.3
245.13431	3.5
245.15430	26.1
246.10365	3.6
248.11852	5.5
249.12718	4.2
253.09959	3.7
255.13878	9.0
257.13272	5.3
259.13174	6.3
263.14243	4.2
269.13196	6.4
273.14865	20.0
275.14392	4.6
282.13940	3.9
284.15448	3.6
285.12622	6.0
287.10257	3.6
287.14301	6.1
289.12415	4.2
297.12552	7.1
298.13251	4.7
299.14243	7.3
299.17599	3.7
300.15237	5.1
301.15848	8.5
311.14249	8.6
312.15060	5.8
313.15799	6.3
315.17365	10.6
317.18909	11.7
326.16602	5.3
327.17331	15.0
329.15378	12.9
329.18967	6.5
340.14737	4.7
341.19153	16.0
345.18469	12.1
357.18457	9.4
359.20053	10.9
361.18192	5.3
369.18570	22.8
387.19547	30.5
389.21106	11.3
401.21161	21.4
405.20856	4.2
419.22241	36.1
447.21561	6.5
479.24380	9.9
497.19232	3.2
542.90643	3.8
655.25452	4.7
669.30359	16.3
687.31262	27.2
687.41479	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	687.316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.7
53.03943	6.9
55.01867	4.6
55.05513	20.7
65.33475	1.3
66.94065	1.4
67.05519	2.2
69.03415	2.2
78.02278	1.5
79.05514	3.6
81.03431	6.3
81.07027	2.4
83.04984	28.6
83.20937	1.5
91.05490	15.3
93.07057	4.5
95.04957	9.5
105.03399	100.0
105.04529	3.4
105.07034	10.3
107.04948	2.9
107.08611	3.3
109.06483	2.4
115.05471	5.4
116.06248	2.3
117.07014	12.0
118.14339	1.5
119.08586	11.4
121.06531	2.4
126.04967	1.6
128.06244	4.3
129.07022	10.2
129.47243	1.4
131.08580	11.0
133.10127	9.4
135.08076	3.4
141.06998	1.8
142.07809	4.6
143.08540	10.7
145.06516	9.9
145.09160	1.5
145.10132	7.7
147.08061	38.1
147.09235	2.2
149.09616	2.6
155.08572	3.8
156.09383	7.8
157.06496	2.2
157.10164	14.8
158.07222	1.7
159.08086	15.0
159.11696	2.9
161.09627	14.3
163.07568	4.6
164.01036	1.4
165.06967	2.8
166.07756	1.4
167.08525	1.7
168.09232	1.7
169.10143	4.8
170.10930	5.4
171.08083	6.4
171.11699	22.4
173.06017	4.3
173.09651	12.6
173.13164	1.7
175.07545	7.3
175.11238	1.7
179.08623	2.0
181.10201	2.1
183.08170	2.5
183.11707	14.6
184.08691	1.8
185.09613	8.3
185.13264	14.7
187.07571	2.1
187.11209	3.5
189.09081	3.5
191.10728	2.3
193.10143	3.2
195.11688	5.4
197.09644	5.0
197.13226	3.5
198.10399	2.0
199.11195	13.0
200.11960	2.7
201.09126	1.6
201.12747	2.6
203.10658	2.0
207.11729	4.9
209.09715	2.2
209.13226	2.2
211.11224	4.7
213.12692	14.4
215.10736	4.2
221.13338	1.7
223.11214	3.3
229.10155	1.8
229.12317	5.6
231.10078	2.1
231.11804	2.0
231.13799	23.7
235.11192	1.8
237.12794	3.1
239.10713	2.1
241.12201	11.0
244.12431	2.1
245.11656	2.7
251.14424	2.0
257.13403	2.6
259.10962	3.0
259.13287	18.1
261.12704	1.9
263.14349	2.4
269.13229	2.9
271.11157	2.5
272.12152	1.7
273.12888	2.9
275.14117	1.7
285.12784	2.8
286.13239	1.5
287.14560	1.6
297.12665	2.5
299.14230	3.5
301.15823	3.7
302.16626	1.6
311.14041	2.3
313.15659	3.5
315.17480	3.1
317.15646	1.9
317.19064	5.0
327.17502	7.4
328.17984	2.5
329.15384	2.3
341.18939	5.2
345.18710	5.4
354.16010	2.7
357.18399	2.4
359.20035	5.2
369.18454	7.9
375.19586	4.8
377.21158	6.0
387.19528	26.1
405.20621	30.4
406.20865	2.3
423.21808	2.7
447.21817	4.5
465.22614	10.0
509.22620	2.4
565.27264	2.4
569.25134	2.3
587.26166	2.7
669.30164	4.1
687.31647	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34356	2.3
51.02375	3.2
53.03937	7.8
54.08323	1.9
54.59481	2.5
55.01871	9.2
55.05270	4.6
55.05516	59.3
58.62978	2.2
67.05497	2.3
67.50753	2.0
69.07070	2.7
77.25955	2.2
79.05513	5.4
81.03428	7.0
81.07057	2.7
83.04988	100.0
91.05488	19.0
93.07057	7.5
95.04981	7.9
98.20767	4.8
103.05476	4.4
105.03407	48.4
105.07024	11.0
107.04965	8.6
107.08625	5.9
109.06544	4.5
115.05443	10.5
116.06252	3.9
117.07054	15.4
119.08597	17.9
121.06557	4.8
128.06212	7.1
129.06999	15.1
131.08601	14.3
133.10132	11.0
135.08064	4.5
141.07010	5.8
142.07768	8.8
143.08566	10.4
145.06505	19.8
145.10092	11.2
147.08055	56.3
147.11679	2.7
149.09639	2.8
155.08548	3.6
156.09323	10.6
157.10158	23.1
159.08064	24.1
159.11707	4.9
161.09637	30.0
163.07523	7.1
165.07016	2.7
167.08459	3.0
169.10164	8.4
170.07495	2.1
170.10884	5.1
171.08038	9.5
171.11684	34.6
173.06026	5.1
173.09633	17.1
173.13185	2.4
175.07562	14.5
181.10127	5.2
183.08083	3.7
183.11710	15.4
184.08737	3.1
185.09688	11.5
185.13260	22.8
187.07561	4.0
187.11240	5.3
191.10654	4.0
192.09271	2.7
193.10156	3.9
195.11739	6.0
197.09654	6.6
197.13249	5.0
199.11174	17.6
200.11983	5.7
201.09190	4.2
207.11749	4.6
209.13268	3.0
211.11124	3.8
213.09171	3.1
213.12769	22.3
215.10645	5.7
216.11476	2.7
217.08536	4.5
217.12292	5.0
223.11209	3.3
225.09262	2.7
225.12727	2.3
229.12288	9.7
231.13821	27.0
233.13306	3.7
235.11191	3.4
237.12730	4.8
241.12253	10.0
244.12439	3.1
245.11584	3.1
247.11217	2.7
257.13495	2.5
259.10846	4.2
259.13223	26.7
261.12589	2.7
271.14713	2.9
273.12735	5.7
274.13278	2.4
285.12833	4.0
287.14270	5.0
297.12781	5.9
299.14267	3.0
301.15805	5.2
303.13937	3.3
311.14041	3.8
312.15048	4.4
313.12534	2.6
313.15848	8.0
315.17465	6.4
317.15509	2.9
317.19138	3.8
325.12100	2.6
327.17426	7.0
329.15366	4.4
329.18964	2.6
341.19092	5.9
345.18466	5.8
347.16379	3.6
357.18604	5.3
359.20078	10.5
361.31592	2.2
369.18509	12.9
375.19656	8.5
377.21130	11.4
387.19604	45.8
405.20633	47.0
423.21692	6.5
447.21747	7.7
465.22665	16.8
487.25702	2.4
527.24402	2.8
570.53009	2.8
570.71954	2.3
587.26453	9.2
669.30402	8.1
687.31628	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	687.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	3.2
51.86205	1.4
53.03951	9.1
55.01888	7.7
55.02108	1.6
55.05516	28.6
61.14913	1.5
61.79955	1.4
62.39246	1.2
67.05501	2.1
69.07044	3.3
77.03925	2.3
79.05515	7.4
81.03409	6.2
81.07065	5.6
83.04992	38.5
89.00932	1.4
91.05492	18.2
93.07044	7.7
95.04980	11.5
95.08610	4.6
97.06555	1.7
98.20751	2.4
103.05476	12.5
105.03403	100.0
105.04520	3.6
105.07030	16.9
107.04967	5.5
107.08612	4.3
109.06521	3.7
109.10123	2.0
112.92474	1.3
115.05460	8.2
116.06258	2.5
117.07030	14.4
119.04987	2.3
119.08599	17.8
121.06531	4.8
121.10160	2.4
123.08083	2.2
128.06207	3.4
129.07019	11.8
130.07777	1.8
131.04950	22.1
131.05844	2.6
131.08589	13.8
133.06491	5.8
133.10141	13.7
135.08060	4.9
141.06978	4.2
142.07787	6.2
143.08560	16.0
145.06506	12.4
145.10158	10.6
147.08063	37.0
147.11699	2.7
147.19907	1.5
149.09698	3.1
153.07042	2.4
154.07750	2.1
155.08607	8.9
156.09410	9.0
157.06500	2.6
157.10150	18.1
158.07281	2.6
159.08086	19.0
159.11736	6.2
161.05984	5.4
161.09639	16.8
163.07553	5.7
163.11211	3.1
165.07025	3.4
167.08582	4.3
168.09360	2.3
169.10127	11.9
170.07301	2.0
170.10876	6.0
171.08069	8.1
171.11713	33.3
173.06053	4.0
173.09608	14.1
173.13310	3.0
175.07556	10.5
175.11142	2.4
177.09149	1.4
179.08572	3.0
180.09216	1.5
181.10129	5.3
183.08096	1.6
183.11722	20.0
184.08755	2.4
185.09633	11.6
185.13264	21.4
186.10309	1.6
187.07576	3.6
187.11208	6.5
189.09140	4.1
191.10623	3.0
193.10188	3.6
194.10942	2.1
195.08032	3.1
195.11729	7.8
197.09645	7.2
197.13300	4.7
198.10278	1.8
199.07544	1.8
199.11243	15.2
200.12027	3.0
201.09079	4.0
201.12773	2.5
205.10141	1.6
205.12193	1.9
206.10919	2.9
207.11740	5.0
209.09653	4.1
209.13315	3.3
211.11197	4.4
213.09363	2.0
213.12762	20.7
215.10655	3.8
215.14296	1.8
217.08536	3.1
217.12238	2.1
218.10912	3.0
219.11766	2.7
220.12433	2.9
221.09604	1.8
221.13217	4.3
222.10564	1.9
223.11241	3.9
223.14799	1.8
225.12775	2.1
227.10744	3.3
229.12276	5.9
230.11026	2.2
231.11754	2.8
231.13815	20.9
233.09529	1.8
233.13257	5.1
233.15440	1.7
235.11305	2.5
235.14905	2.8
237.12723	3.5
239.10645	2.5
241.10002	2.5
241.12137	11.1
243.11765	3.9
243.14000	3.0
244.12396	2.4
245.11768	4.9
245.15407	3.4
246.13980	1.8
247.11116	2.4
247.14862	2.9
249.12820	1.8
249.16405	1.5
251.10612	3.3
251.14288	2.6
257.13300	2.3
258.14026	2.2
259.13150	16.8
261.12967	3.0
261.16312	3.1
263.14426	2.7
269.13220	2.8
271.14871	2.2
272.11789	2.4
273.12485	2.2
275.14304	4.0
279.13959	1.6
281.12958	1.5
283.10944	1.8
283.14856	2.0
285.12952	2.7
285.16415	2.4
286.13531	1.9
287.14371	5.0
289.12418	1.9
289.15878	3.8
297.12820	2.5
298.13403	2.7
299.14297	3.1
301.15805	4.7
303.13556	1.8
303.17563	1.9
305.15363	1.9
311.14407	3.6
313.15961	4.4
315.17368	4.7
317.15408	2.0
317.18921	2.9
327.13873	2.2
327.17432	6.8
328.18192	3.0
329.15311	5.1
331.16962	4.2
337.18234	2.2
339.13489	2.1
340.14432	2.1
341.15317	2.0
341.19150	4.8
343.16766	2.7
345.18503	6.2
347.16412	1.8
357.18661	3.2
359.16177	2.2
359.20004	7.7
363.19653	3.0
369.18466	8.6
373.18277	2.0
375.19553	5.9
377.21069	5.8
387.19614	28.0
391.18771	2.6
405.20685	27.9
409.20135	2.8
423.21640	4.3
433.19995	2.1
447.21600	6.1
451.20877	3.3
465.22726	11.7
469.22113	6.1
501.24564	4.8
509.23779	2.1
565.27911	2.4
569.25671	4.1
587.26141	2.7
669.29865	3.2
687.30981	9.5
709.68018	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.6
57.03450	1.1
62.85156	0.8
67.05511	7.1
69.07087	1.4
71.19639	0.8
79.05508	3.7
81.07061	3.4
82.07414	1.2
83.28334	0.8
87.44930	0.8
91.05488	2.3
92.71333	0.7
93.07047	2.6
95.04961	0.7
95.08624	2.5
105.07098	1.0
107.08613	1.7
109.10161	4.7
121.06555	0.9
123.08070	0.8
128.42274	0.8
133.10176	1.8
134.24695	0.7
147.11819	0.7
156.25406	0.7
159.11807	1.0
173.11812	1.3
185.07343	0.9
219.79585	0.8
221.10678	1.0
223.12389	1.7
225.13823	1.0
229.14389	2.9
230.14868	1.2
235.12283	0.9
237.13893	2.9
238.14522	1.8
239.15498	1.4
247.12202	0.9
263.11661	0.9
276.15103	1.0
318.16055	1.0
335.25812	1.4
336.26260	1.9
340.18152	0.8
351.16394	1.2
353.17554	1.8
354.19073	1.2
365.17801	1.5
366.18765	1.5
367.19318	2.7
377.18063	1.0
379.19308	1.7
381.16660	1.6
381.20828	2.9
382.17984	1.1
391.19870	1.1
393.20984	2.1
395.18915	2.4
396.19656	1.2
397.20508	1.1
404.16776	0.9
405.17102	3.0
407.18530	2.2
408.19562	1.2
409.20398	5.3
410.21158	4.6
411.21930	6.8
419.18600	1.1
420.19611	1.8
421.20309	2.6
422.21106	3.5
423.21942	3.2
425.23505	2.0
426.24261	1.5
436.19183	1.0
437.18979	1.3
437.23743	2.8
438.20602	0.9
440.21301	0.8
447.21933	2.8
448.18997	10.7
449.19739	3.0
451.21771	1.2
453.23010	3.6
461.19653	1.7
463.21228	1.1
465.18713	1.7
466.23557	1.7
468.25528	7.7
469.26135	1.3
475.17831	3.7
476.18243	2.1
477.19388	1.5
479.24680	2.3
480.21469	14.1
481.22455	2.4
482.23239	0.9
483.24158	1.9
489.19226	1.1
490.36069	3.0
492.21701	1.1
493.18631	3.1
494.19357	1.5
496.24802	5.8
497.25732	7.4
498.26263	13.4
507.22202	1.6
508.21558	1.7
509.22012	1.4
511.27225	2.9
512.27991	1.7
521.21869	1.2
522.93787	0.9
524.24567	3.9
525.25177	7.3
526.25482	2.0
534.23004	3.6
535.23328	1.2
539.26874	5.2
540.27142	4.4
550.23358	1.0
552.23730	1.2
553.24023	2.5
563.22980	3.3
566.25854	1.9
567.26147	6.5
580.23389	1.4
581.23700	1.9
584.26672	4.6
585.27118	5.6
594.24707	9.6
595.25555	3.6
597.25635	1.0
599.28784	3.1
609.27051	1.9
612.25812	17.9
613.26556	5.9
623.24683	1.1
627.28156	22.7
628.27844	1.8
637.26227	4.5
655.27704	40.6
656.28961	1.4
687.30249	100.0
688.30902	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	687.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98979	3.1
56.31289	3.4
57.07098	3.1
59.07822	2.7
59.32068	2.5
65.68433	2.3
67.05509	29.4
68.05848	3.2
69.03454	3.0
69.07064	5.1
69.99384	6.2
69.99762	9.7
79.05492	14.6
81.03413	4.1
81.07058	13.8
83.08652	4.2
91.05459	6.9
93.07049	9.9
95.08607	9.4
105.07050	5.3
107.08611	5.4
109.10168	12.1
110.10449	3.6
119.08598	4.8
121.10191	3.5
131.08580	3.0
133.10162	3.6
229.14340	5.7
230.14592	4.7
255.23390	4.6
335.25873	4.1
336.26260	5.3
366.18564	3.2
367.19495	4.6
377.17856	3.5
381.21182	5.0
405.16888	13.2
407.18826	6.4
409.20325	6.4
411.21948	4.2
420.19550	12.1
421.20218	6.3
422.21259	8.4
423.22479	5.3
433.16721	4.0
437.19534	6.7
448.18958	52.7
448.24792	3.8
449.19415	5.8
461.20300	4.8
465.19135	5.9
468.25662	20.6
469.26007	4.0
475.17844	9.2
476.18457	8.4
480.21558	59.3
481.22464	3.6
490.36240	4.6
493.22238	5.4
495.24280	3.0
496.24719	5.5
497.25406	6.4
498.26151	4.4
507.20303	4.5
508.21057	4.2
534.22815	10.8
535.23706	4.5
539.26080	5.5
553.24609	6.2
563.22333	6.7
566.25336	5.9
594.24786	56.2
595.25531	21.7
609.27112	22.6
612.25580	24.5
613.26575	10.9
620.99200	3.1
627.28436	10.9
637.26514	61.0
655.27631	97.9
655.38403	6.1
656.28217	4.5
687.30280	100.0
687.48132	5.9
708.30164	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	687.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01852	0.8
55.05504	1.0
56.09220	0.8
67.05499	2.0
69.03436	1.2
69.07074	0.9
71.56003	1.4
79.05489	2.0
81.07050	1.7
83.05000	1.2
91.05491	3.2
93.07052	2.1
95.04994	1.8
95.08608	1.8
99.04462	0.8
103.05473	10.1
105.03378	1.7
105.07015	1.6
107.08620	2.2
117.07058	2.2
119.08609	2.2
128.06198	0.8
129.06946	1.0
131.04929	18.6
131.08595	1.3
133.10168	1.9
135.08138	0.9
143.08591	0.8
144.08139	0.9
145.06543	1.1
145.10158	0.9
147.08095	2.8
157.10185	1.9
159.08070	2.0
159.11699	0.9
161.09578	1.0
163.07591	1.4
171.11723	1.6
172.07607	1.3
173.09637	1.1
183.11740	2.0
185.13275	1.3
197.10791	1.9
199.08748	1.6
207.09088	1.0
208.09872	1.3
209.10703	6.0
210.11629	3.2
211.12309	2.2
213.12704	1.1
222.11360	1.5
223.08681	1.5
223.12263	4.5
224.13150	3.6
225.13927	2.4
226.14886	1.0
227.08260	1.7
232.09821	1.0
234.11380	0.8
236.13022	1.0
237.10352	1.6
237.13928	11.9
238.11017	1.1
238.14626	6.2
239.15433	4.1
241.09868	2.0
241.12363	0.9
251.11867	1.0
252.12613	1.3
253.10141	0.9
253.13469	2.2
254.06964	0.8
255.07788	0.9
255.11426	1.2
265.13300	7.7
266.14130	3.5
267.15021	3.7
269.09155	1.1
273.12286	0.9
275.16000	0.9
282.13736	0.9
283.20511	0.8
287.14270	1.0
297.09183	1.0
297.12216	4.2
299.10272	1.0
301.11951	1.1
309.15997	1.6
314.16760	0.9
315.13599	2.5
325.15488	7.5
327.17331	2.9
328.14407	1.0
335.13950	1.0
336.14725	1.3
340.14484	1.2
347.14954	1.0
364.17938	0.9
365.17844	1.0
372.17102	0.9
373.17297	0.8
386.19223	1.1
388.20297	1.3
395.18851	1.5
399.15939	1.1
400.16507	2.2
401.21100	1.3
402.21957	1.4
404.23676	0.9
408.19662	1.0
409.20456	1.9
437.19556	1.3
461.19543	1.3
479.21439	0.9
480.22568	1.1
482.23672	1.1
490.23492	1.7
491.24182	1.0
493.22653	1.2
497.25732	2.9
506.23645	1.6
507.24057	3.0
511.23599	1.4
521.26025	1.5
524.24371	1.1
525.25122	4.4
539.26532	2.6
540.27893	1.4
549.25024	2.2
553.24561	1.6
565.29388	1.4
567.25934	3.0
568.26880	1.1
584.26849	1.0
585.27423	1.1
595.25287	4.7
599.25397	1.7
609.26959	9.5
623.24963	5.0
625.26044	1.6
627.28302	25.4
637.26379	6.1
643.27844	1.4
651.24982	1.1
655.27631	100.0
656.28033	2.6
669.26117	1.3
687.32642	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01881	0.9
55.05515	12.0
57.03443	12.0
57.07072	2.2
59.05016	3.7
61.02928	5.0
65.03929	2.1
67.05511	99.0
67.75492	0.8
69.03411	2.1
69.06777	0.8
69.07079	8.2
69.45285	5.3
71.05006	4.4
73.02908	0.9
79.05505	16.2
81.03410	0.8
81.07063	39.6
83.04987	0.8
83.08620	7.9
85.02919	4.0
85.06544	2.6
91.03947	1.3
91.04967	1.2
91.05492	14.6
93.07056	21.5
95.04987	1.8
95.08614	26.3
97.02886	2.1
97.06546	1.0
97.10154	1.8
99.08096	1.0
105.07021	6.5
107.08604	16.1
108.55845	0.8
109.10165	78.1
110.10490	0.8
111.08074	3.6
117.07015	3.4
119.08581	9.0
121.10152	10.6
123.11702	3.3
125.09640	1.7
127.11148	0.9
131.08588	4.3
131.09395	0.9
133.10165	4.1
135.11707	7.1
137.09616	3.1
137.13263	1.2
140.74809	0.8
140.75822	0.8
145.10123	3.6
147.11745	4.4
149.13292	6.0
149.14304	1.2
155.10696	12.8
159.11720	3.2
161.13280	2.1
163.14790	2.7
173.11777	20.3
173.13257	2.8
187.14848	1.8
199.14902	0.9
207.59454	0.7
227.12830	5.3
229.14371	100.0
230.14705	2.0
243.21127	5.2
247.03362	0.7
261.22162	16.4
262.22464	1.0
303.05511	0.8
317.24744	2.4
335.25821	68.1
336.26349	1.1
375.12866	0.8
397.31189	1.1
415.32172	1.4
489.35834	45.4
490.35776	2.1
507.36545	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	686.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41832	0.7
53.03946	2.3
55.05513	12.4
55.30709	0.8
57.03439	12.9
57.07080	1.6
59.04994	3.1
59.52061	0.9
61.02922	4.6
65.03943	2.8
67.05508	100.0
68.05840	1.0
69.03430	1.6
69.07072	8.2
71.04200	1.1
71.04545	1.6
71.04979	3.3
71.08601	0.9
73.02898	1.4
79.05498	21.9
81.07060	43.6
83.08620	8.6
85.02908	4.9
85.06549	3.6
91.03983	1.1
91.05481	14.3
93.07047	29.1
95.04982	1.5
95.08612	31.2
97.02895	2.6
97.06536	2.0
97.10155	2.5
99.08072	1.0
105.07047	6.9
107.08593	14.3
108.62561	1.0
109.06543	1.5
109.10162	78.4
111.08085	2.8
117.07025	2.5
119.08583	11.2
121.10153	13.9
123.11689	3.7
125.09638	1.4
131.08571	5.9
133.10143	8.4
135.11700	10.6
137.09648	3.5
137.13264	1.6
145.10127	5.4
145.11143	0.9
147.11697	3.8
149.13246	5.7
155.10704	10.8
159.11719	4.8
161.13258	2.7
163.14818	2.6
173.11754	16.5
173.13271	3.8
175.14838	1.1
187.14807	1.2
189.71864	0.9
215.95137	1.0
227.12796	4.3
229.14360	93.2
230.14711	1.7
230.42747	0.9
243.21053	4.7
261.22156	19.2
301.40469	1.1
317.24725	3.9
335.25809	85.0
336.26285	2.1
378.48141	1.0
400.52621	0.9
415.32068	1.7
437.27826	0.9
447.84677	0.8
471.34793	1.4
472.41119	1.0
489.35788	61.6
490.36008	2.3
504.11865	0.9
507.36844	5.2
523.00995	1.0
677.01904	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34676	3.5
53.03938	6.0
55.01868	4.5
55.05514	62.3
67.05508	5.7
69.03410	5.4
69.07050	5.1
69.25892	36.8
79.05497	10.2
79.65321	3.4
80.21442	3.5
81.07037	8.1
82.76505	3.7
83.04987	100.0
84.05319	10.2
91.05479	28.1
91.43803	3.3
93.07045	12.4
95.04961	9.3
95.08595	9.0
103.05422	7.9
105.03388	12.8
105.07037	29.3
107.04966	4.7
107.08603	12.8
109.06551	7.2
109.10123	3.9
115.05422	8.4
117.07019	15.5
119.04959	5.5
119.08586	29.8
123.08070	4.3
128.06268	4.1
129.06996	11.7
131.04930	13.1
131.08586	17.8
132.09010	4.1
133.06511	14.5
133.10152	36.6
135.08063	7.7
142.07788	8.2
143.08563	16.5
145.06473	11.5
145.09128	3.8
145.10112	19.0
147.08043	15.4
149.09647	9.7
155.08551	10.9
156.09363	14.1
156.16086	4.1
157.06433	4.1
157.10150	40.2
159.08066	12.5
159.11719	15.0
161.05994	16.3
161.09651	15.8
163.07574	4.7
163.11290	6.9
165.07053	4.4
167.08612	5.1
169.10112	21.6
170.10867	15.7
171.08017	9.4
171.11708	56.6
172.08430	4.1
172.12102	7.4
173.06067	4.3
173.09604	14.6
173.13240	5.7
175.07600	13.2
175.11145	4.8
177.09065	7.2
179.07028	4.6
179.08485	6.2
180.09297	4.0
181.10052	8.7
182.10728	5.1
183.08063	7.4
183.11681	46.9
184.12160	8.3
185.09615	16.9
185.13266	43.5
186.13605	7.7
187.07419	4.7
187.11188	7.9
189.05432	8.5
191.06979	5.9
193.08609	8.1
193.10179	8.9
195.08012	6.5
195.11737	17.3
197.09541	8.3
197.13292	13.7
199.11211	15.3
200.11815	4.3
201.12773	10.3
206.10756	5.5
207.11647	5.9
208.12357	4.7
209.13226	7.4
211.11168	15.5
213.09239	3.6
213.12726	50.3
214.13126	13.8
215.10773	5.3
215.14603	3.6
217.08400	5.7
217.12134	6.5
221.13283	10.8
223.11198	10.0
225.09293	4.4
225.12711	6.4
227.10504	4.3
229.10190	4.9
229.12267	8.3
231.11812	6.2
231.13896	12.3
233.13272	5.2
235.11073	4.8
235.14830	6.3
237.09192	4.7
237.12596	5.3
241.12360	12.8
243.11711	6.7
243.13835	10.9
244.12286	5.2
245.13275	5.8
245.15323	25.0
246.13817	4.7
246.15987	6.1
247.14914	6.5
253.12209	6.1
255.11618	4.9
255.13931	7.6
256.12396	4.6
257.13275	8.8
258.13943	5.6
259.15045	5.5
261.12589	4.3
263.14230	4.7
272.15350	4.0
273.12119	4.3
273.14801	23.3
274.15195	6.1
282.13916	5.6
284.15634	4.7
285.12558	6.3
285.16141	9.9
299.18069	3.9
301.16043	8.7
303.13809	4.4
312.15256	4.4
313.15710	8.1
315.17297	5.3
316.14539	5.0
317.15198	5.6
327.17380	6.7
329.15067	7.9
331.16943	12.7
332.17191	5.0
341.15256	6.6
345.18378	8.2
347.16452	7.5
349.17889	7.3
355.16916	9.0
359.16458	17.0
360.17062	4.9
363.19647	7.3
371.16238	5.6
373.17868	31.8
374.18228	7.5
375.19821	6.0
377.17426	16.3
383.16089	5.8
387.19507	5.1
391.19138	20.5
401.17468	28.0
402.17847	7.2
403.18866	8.7
405.20486	12.7
406.21060	4.9
409.19943	6.2
415.19016	10.3
419.18582	35.3
421.19998	13.0
423.21695	16.0
433.20184	41.5
434.20694	10.0
436.21994	5.0
437.19629	7.3
448.21750	5.1
451.21246	57.4
452.21704	4.2
465.22839	4.2
466.22928	7.6
469.22266	12.0
481.87744	4.0
494.22098	4.1
537.24872	5.6
551.26196	5.7
569.27588	6.4
637.29871	8.5
669.32709	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	685.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93167	0.8
53.03941	3.5
55.01875	11.0
55.05509	9.0
57.62483	0.8
67.05504	4.7
67.76794	0.9
69.03426	2.7
69.07064	1.8
69.51976	5.6
71.37687	0.8
77.03962	1.9
79.05498	7.4
81.03416	6.7
81.07056	5.9
83.04984	14.4
91.05478	20.7
91.06017	1.8
93.07045	7.7
95.04961	7.7
95.08594	3.9
97.02875	0.9
97.06555	1.5
103.05465	47.8
105.07027	15.0
107.04951	4.9
107.08581	6.6
109.06500	3.5
109.10161	1.9
111.58698	0.8
113.05980	1.3
115.03927	2.1
115.05453	6.5
116.06216	1.1
117.07015	14.6
119.04942	0.8
119.08580	20.2
121.06483	2.9
121.10142	2.9
123.08010	1.2
128.06216	4.9
129.07008	14.5
130.07774	2.6
131.04927	100.0
131.08571	12.6
133.06461	2.2
133.10136	23.0
135.08070	4.3
135.11703	0.9
141.07002	2.9
142.07793	6.0
143.08560	12.7
144.05679	1.6
144.09323	1.7
145.06493	10.0
145.10114	13.0
146.07224	1.3
147.04399	0.9
147.08046	50.8
147.11682	1.9
149.09612	7.5
152.06026	1.0
153.06964	1.2
155.08542	6.9
156.09343	11.3
157.06528	1.0
157.10110	20.8
158.07294	2.0
159.08054	18.6
159.11688	12.5
161.06038	1.6
161.09610	24.1
161.13234	1.6
163.07549	23.8
163.08945	1.2
163.11125	4.7
165.06943	2.2
165.09183	1.2
166.07721	1.7
167.08548	1.9
168.09351	2.4
169.10110	11.3
170.10924	6.6
171.08072	5.5
171.11678	34.2
172.08804	1.7
173.05992	3.4
173.09615	14.4
173.13211	3.2
175.07520	6.5
175.11179	3.9
177.09084	1.2
179.08614	2.3
179.10583	0.9
180.09323	2.2
181.10103	4.8
182.10887	1.7
183.08055	2.6
183.11676	22.7
185.09656	10.4
185.13248	27.4
186.10464	1.4
187.07524	2.1
187.11192	8.2
189.09103	2.4
189.12784	2.4
192.09451	1.3
193.10075	2.1
194.11011	1.3
195.11710	6.6
197.09613	3.9
197.13261	11.8
198.10435	2.2
199.07430	1.3
199.11180	11.8
200.11871	1.4
201.09108	7.3
201.12689	4.6
203.10628	2.9
203.14334	2.5
205.10313	1.0
205.12238	3.1
206.10907	1.1
207.11711	4.0
208.12396	1.8
209.09569	1.6
209.13264	2.6
211.11166	4.1
213.09323	1.5
213.12732	26.6
215.10736	2.9
215.14368	1.9
216.15167	0.8
217.10248	1.7
217.12245	2.9
219.11783	2.3
220.12459	1.4
221.09557	0.9
221.13226	3.4
223.11192	4.5
223.14766	1.8
225.09952	1.0
225.12590	2.1
227.10643	2.5
229.12251	2.5
231.11812	1.8
231.13695	4.2
233.13367	1.9
233.15388	2.1
235.11156	2.0
235.14870	1.5
237.10414	1.3
237.12675	2.7
241.10071	1.6
241.12207	9.3
243.11621	2.0
243.13821	5.9
244.12425	1.1
245.11505	1.2
245.13449	0.9
245.15396	17.4
246.10570	1.1
247.11197	1.9
247.14745	2.5
248.12054	1.0
249.12708	2.3
249.16322	1.6
251.11818	1.3
251.14369	2.3
253.13330	4.1
255.11609	1.5
255.13844	7.0
256.12454	1.0
257.09778	1.0
257.13132	1.8
257.15433	3.0
258.14084	2.1
259.10849	1.8
259.13138	10.5
260.11948	1.0
261.12610	2.4
261.14969	1.6
263.16425	2.2
267.11508	1.1
269.13162	2.6
270.13824	1.4
273.12411	1.8
273.14871	16.3
275.14282	2.7
277.09753	1.7
277.15918	1.5
283.11041	1.0
283.14734	1.9
284.11945	0.9
284.15417	1.1
285.12924	1.3
285.16309	0.9
286.13431	1.6
287.14340	3.0
288.14713	1.3
289.16153	1.7
291.16010	3.0
293.15482	1.3
297.12750	3.4
298.13358	1.6
299.14175	2.5
299.17566	1.2
300.15027	1.6
300.60455	1.0
301.15915	3.3
302.16635	1.4
303.07532	1.1
303.17474	1.5
305.18872	1.4
311.14090	1.5
312.14941	1.3
313.15790	3.7
313.19189	1.4
315.13797	1.6
315.17352	4.7
317.15698	1.3
317.18954	5.6
319.16727	1.1
323.16742	1.1
325.11844	1.1
326.16522	2.7
327.17447	9.2
328.18106	1.9
329.15234	1.4
331.20535	2.6
333.18423	2.4
341.18918	6.9
342.12103	1.0
345.18393	7.5
347.19955	1.3
357.18222	2.4
359.16376	1.0
359.20120	6.1
363.19321	1.8
369.18579	4.5
372.17114	1.0
375.19321	1.3
377.21082	1.9
387.15085	1.2
387.19562	11.7
389.21039	3.7
391.22729	6.6
400.16617	4.8
401.16516	1.5
401.21109	15.3
404.19717	1.3
405.20465	4.7
407.22040	3.2
409.23831	1.2
419.22183	25.8
437.23380	9.2
442.58270	0.9
460.18726	6.1
486.16357	1.2
493.22165	1.4
513.29681	1.0
515.20544	1.7
521.38025	1.0
547.23297	1.5
549.26099	2.2
566.24951	1.1
567.27246	3.9
575.22723	6.3
585.28845	1.6
591.26270	1.6
593.23969	1.7
603.22369	19.4
621.23389	2.1
625.26965	1.5
635.24921	17.9
653.25354	14.8
685.28247	4.8
685.39551	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.7
51.02379	0.6
53.03949	3.1
55.01875	5.0
55.05513	4.6
59.93411	0.5
67.05499	1.5
69.46026	0.5
69.46223	1.3
69.46632	3.2
77.03926	0.9
79.05486	2.6
81.03411	2.8
81.07050	1.7
83.04993	7.7
91.05483	6.9
93.07047	1.9
95.04966	4.1
95.08619	1.3
97.06528	0.9
102.55627	0.6
103.05473	60.3
104.05830	0.6
105.04507	1.5
105.07040	5.3
107.04976	2.2
107.08630	2.9
109.06515	1.0
115.03900	0.8
115.05460	1.8
116.06299	1.3
117.07003	4.5
119.04939	0.5
119.08584	7.7
121.06487	1.2
121.10168	1.2
128.06232	2.5
129.07008	6.7
130.07805	1.2
131.04933	100.0
131.08575	5.9
132.05272	0.9
133.06525	1.0
133.10120	6.9
135.08034	2.1
141.07014	1.8
142.07776	2.8
143.08574	5.9
144.05724	0.7
145.06488	4.7
145.10136	4.6
147.08055	22.3
149.09619	3.0
155.08562	2.4
156.09392	4.0
157.10141	10.5
158.07324	0.9
159.08060	10.2
159.11674	4.5
161.09634	12.2
163.07558	9.9
163.11172	0.7
165.06998	1.1
165.09215	0.7
166.07874	0.7
167.08565	1.5
168.09293	0.6
169.10130	5.0
170.10866	2.6
171.08081	1.9
171.11693	16.4
173.06021	0.9
173.09612	6.3
173.13286	1.9
175.07549	2.4
175.11131	1.5
179.08583	1.3
179.10744	0.9
180.09387	1.1
181.10121	1.9
183.08089	1.2
183.11679	10.5
185.09645	4.2
185.13258	13.9
187.07562	1.0
187.11107	2.7
189.09113	1.1
193.10139	1.3
195.11734	2.2
197.09653	1.6
197.13239	3.9
198.10384	1.5
199.11208	5.4
200.12004	0.9
201.09138	2.5
201.12756	2.3
203.10605	1.0
203.14345	0.6
205.12241	0.9
207.11684	1.7
209.09729	0.7
209.13391	1.0
211.11226	1.8
213.09201	0.9
213.12711	10.6
215.10588	0.9
215.14331	0.9
217.12233	1.4
219.11844	1.1
220.12386	0.7
221.13376	0.8
223.11176	2.0
225.12822	1.0
227.10725	2.4
229.12276	1.8
230.10977	1.0
231.13762	3.5
232.12587	0.7
233.15392	1.3
235.11214	0.8
237.12682	1.9
239.10716	0.8
241.12273	3.8
243.13866	2.4
245.15385	7.4
246.10365	1.0
247.11142	0.8
249.12718	1.6
255.13780	1.9
257.15427	2.0
259.13196	4.3
261.12601	1.1
263.14163	1.3
263.16595	1.3
269.13290	1.5
273.14908	7.6
275.14343	1.6
277.16049	0.8
283.14883	1.0
287.14319	1.3
289.12335	1.0
289.15704	1.1
291.16013	1.8
297.12744	1.5
298.13483	1.2
299.14169	0.7
301.15915	1.1
302.16489	0.7
312.14984	1.4
313.16043	1.4
315.17404	2.5
317.19089	2.1
327.17514	4.4
328.18262	0.8
329.15372	1.0
331.17053	0.7
331.20718	1.6
341.19101	3.4
343.16925	0.7
345.18561	3.6
357.18344	1.1
359.19910	4.5
369.18472	2.0
387.19589	6.3
389.21198	2.5
391.22717	2.9
401.21133	9.1
405.20792	2.5
407.21997	0.8
419.22147	13.5
437.23291	5.1
501.26196	1.0
505.25800	1.2
519.27405	1.6
537.28168	1.8
587.35187	0.6
653.30725	0.9
667.33240	1.1
685.29016	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	2.1
53.03939	3.9
55.01872	11.1
55.05515	11.8
67.05455	2.3
70.14021	8.6
70.32912	2.0
76.15790	1.6
79.05485	5.0
81.03401	7.7
81.07072	3.6
83.04983	18.0
86.98971	1.7
91.05492	17.9
93.07027	7.1
93.37629	1.8
95.04967	6.9
95.08604	2.9
103.05470	49.6
105.07047	16.1
107.04937	3.4
107.08616	5.2
109.06501	4.0
115.05439	8.1
117.07029	16.3
119.08600	19.4
121.06504	2.0
121.10166	2.8
128.06204	6.1
129.07016	15.9
130.07802	3.5
131.04935	100.0
131.08603	10.5
133.06511	2.9
133.10132	23.7
135.08015	6.1
141.06990	3.0
142.07747	6.0
143.08548	13.9
144.05704	2.1
144.09312	2.2
145.06497	14.6
145.10114	12.7
147.06950	3.8
147.08054	56.0
149.09601	7.5
155.08559	7.1
156.09315	8.5
157.10112	23.1
159.08063	22.8
159.11716	11.6
161.09628	28.8
161.71089	2.0
163.07552	30.7
163.11203	2.8
166.07794	2.9
167.08522	4.5
169.10138	12.9
170.10886	6.0
171.08023	7.8
171.11696	44.7
173.09641	17.0
173.13242	2.6
175.07626	8.9
175.11166	2.6
179.08556	2.5
181.10097	5.4
182.10847	2.7
183.08057	2.6
183.11699	33.6
185.09622	12.2
185.13264	36.4
187.07491	2.3
187.11171	7.4
189.09058	3.2
193.10126	3.1
195.11723	7.7
197.09618	4.3
197.13248	13.4
198.10460	3.8
199.11172	12.5
201.09154	8.1
201.12744	6.3
203.10670	2.3
206.10794	3.6
207.11809	2.3
209.09613	3.4
209.13144	3.6
211.11127	3.1
213.12758	24.0
215.14281	2.5
217.12181	2.1
219.11768	2.0
221.09470	2.2
221.13234	2.2
223.11189	5.7
225.12680	4.4
227.10696	3.1
229.12218	2.3
230.10748	2.4
231.13771	7.5
233.13176	2.6
233.15323	4.8
237.12572	3.6
241.12187	10.2
243.13789	8.5
244.12477	2.4
245.09674	2.5
245.13277	2.1
245.15402	19.7
247.10982	2.7
249.12723	2.4
255.13782	6.9
257.13123	2.7
257.15503	3.4
259.13226	9.1
261.12573	3.9
263.16513	3.6
273.12512	3.3
273.14917	17.3
275.14139	3.0
276.14941	1.9
285.12799	4.1
285.16064	2.7
291.15933	3.2
297.12579	3.7
299.14297	4.5
303.17462	2.4
311.14136	2.9
312.14999	2.2
313.15729	4.0
315.17413	5.3
315.20932	1.8
317.18842	4.6
327.17343	8.0
329.18967	3.2
333.18396	2.6
341.18961	7.7
345.18442	6.9
357.18204	2.7
359.20032	7.3
369.18369	5.3
387.19504	14.1
389.20856	4.5
391.22687	6.8
395.19150	2.5
401.21146	19.7
405.20541	5.6
407.22137	3.1
419.22144	30.1
437.23145	8.5
482.13123	1.9
501.26324	2.6
505.25812	2.3
519.27148	4.2
537.28668	3.2
603.22491	3.7
635.25299	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	685.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01866	3.4
55.05512	75.0
67.05482	6.4
69.03416	2.7
69.07061	5.4
71.55914	1.9
79.05483	12.5
79.21943	1.6
79.72384	1.5
81.03415	4.5
81.07058	7.3
83.04984	100.0
84.05283	1.7
85.02901	3.4
88.17883	1.6
91.05476	19.5
93.07035	7.5
95.04953	7.2
95.08615	6.2
97.06547	3.0
99.87642	2.0
103.05480	9.5
105.03410	2.8
105.07028	26.4
107.04946	5.0
107.08585	7.6
109.06521	5.4
109.10142	2.2
115.05462	9.4
117.07007	15.3
119.04950	2.5
119.08588	22.2
121.06505	4.2
121.10140	4.0
123.08054	2.0
128.06207	6.5
129.06998	10.0
130.07799	2.0
131.04938	9.0
131.08565	16.2
133.06500	10.4
133.10120	18.2
135.04443	2.1
135.08037	5.6
141.07004	6.7
142.07785	9.1
143.08574	15.5
145.06470	7.9
145.10130	16.1
147.08070	16.4
147.11707	3.3
149.09618	7.2
153.07014	3.1
154.07707	3.5
155.08510	11.7
156.09332	13.7
157.06497	3.7
157.10136	24.8
157.11330	3.0
158.07208	1.9
159.04457	1.9
159.08047	8.6
159.11708	7.7
161.05978	19.4
161.09581	9.5
163.07549	4.7
163.11179	4.0
165.06998	4.2
165.09120	2.5
166.07867	2.7
167.08554	6.8
168.09323	3.7
169.06427	2.0
169.10136	15.7
170.10925	12.7
171.08095	10.0
171.11694	49.8
172.12044	2.0
173.05969	5.3
173.09630	9.6
173.13283	3.9
175.07474	11.0
175.11136	3.4
177.09134	6.2
179.08594	1.8
180.09268	3.9
181.10107	6.8
183.08105	5.0
183.11697	37.9
184.08759	4.0
185.09665	10.7
185.13284	40.9
187.07553	5.6
187.11185	4.6
189.05464	4.0
189.09065	4.2
189.12631	2.3
191.07011	2.7
192.09367	4.0
193.08554	7.0
193.10188	5.5
194.10823	2.3
195.11693	8.8
196.08850	2.4
197.09633	6.6
197.13214	8.0
198.10388	6.8
199.07481	2.8
199.11171	18.5
200.11870	2.8
201.09117	3.3
201.12737	5.8
203.07014	2.9
203.10638	4.7
205.08527	2.5
205.10263	3.7
205.12122	3.2
206.10974	2.8
207.10089	4.3
207.11740	4.8
209.09605	3.9
209.13185	4.6
211.07608	3.4
211.11200	16.2
213.09108	4.7
213.12749	48.9
215.08810	2.5
215.10715	3.5
215.14400	1.8
216.09349	2.4
217.10225	3.3
217.12216	2.5
219.11865	3.6
221.13252	4.9
223.11198	6.5
223.14804	1.8
225.09108	2.9
225.12682	3.1
227.10722	2.1
229.10248	3.7
229.12292	6.0
230.10901	4.8
231.09967	3.0
231.11847	2.7
231.13750	4.3
232.12480	3.5
233.09506	2.1
233.13277	4.5
233.15329	2.6
235.14774	4.6
239.10823	2.0
241.12384	8.9
242.10941	3.5
243.11841	3.6
243.13838	8.8
244.12532	3.6
245.11430	3.3
245.13370	4.1
245.15376	21.2
247.11145	2.5
247.14899	4.1
248.11732	2.0
249.12717	2.6
255.11613	4.1
255.13864	5.6
256.12381	4.0
257.13232	5.5
258.13986	4.2
259.15063	3.0
261.12759	3.3
265.12366	2.0
266.10703	2.5
267.11694	3.5
269.13187	5.6
270.13986	5.7
271.13129	2.2
271.15167	3.6
272.15765	2.9
273.14819	28.1
275.10547	2.6
275.14072	2.3
277.15741	2.0
281.13010	2.9
282.13882	3.5
283.14670	3.2
284.12216	2.5
284.15625	4.1
285.12973	3.2
285.16360	7.3
286.13486	3.0
287.14307	4.6
287.17911	2.8
288.15115	3.1
291.16858	1.8
297.12909	3.6
297.16437	4.8
298.13528	3.1
299.14178	4.9
299.17734	2.7
301.15887	2.0
303.17358	3.4
307.10748	2.1
311.10526	2.4
311.14252	2.4
313.15826	6.8
314.16446	2.3
315.13821	4.6
315.17355	3.1
317.18924	2.0
327.13745	3.8
327.17200	8.5
329.15302	6.8
329.18732	3.1
331.13257	2.8
331.16803	10.3
335.20084	2.2
337.15692	2.3
340.14401	3.9
341.15390	8.5
343.16806	5.0
345.18442	6.0
347.20038	2.8
355.16788	13.1
357.18610	3.5
359.16473	8.0
361.17908	3.3
363.19647	3.3
369.18088	1.6
371.16183	4.5
373.17813	17.3
375.19543	3.3
377.17136	3.3
377.21350	3.1
383.16373	7.7
385.18048	3.3
387.19504	9.1
391.18964	6.3
401.17563	19.2
403.18979	10.1
405.20520	15.1
415.19122	16.4
419.18228	4.4
421.19559	3.0
423.21402	3.3
433.20111	31.7
435.21689	5.1
437.23761	3.5
447.21848	12.1
451.21243	9.4
461.19116	3.2
465.22775	19.9
479.20358	1.9
483.23804	3.5
485.85187	2.4
493.22308	9.7
511.23175	2.8
521.21399	2.8
525.24738	5.1
553.24091	3.3
571.24969	3.3
585.26935	3.4
653.23419	2.7
667.38348	2.4
685.25848	2.2
685.39111	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	685.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.05515	66.9
67.05489	6.8
69.03416	4.0
69.07054	4.0
71.04984	2.8
78.65865	1.8
79.05476	8.5
81.03427	3.6
81.07050	5.2
83.04984	100.0
85.02869	3.3
91.05479	24.5
93.07046	10.8
95.04959	4.3
95.08593	4.7
103.05476	9.9
105.03391	3.9
105.07039	18.0
106.04166	3.2
106.46520	1.7
107.04920	1.8
107.08578	7.9
109.06536	3.6
109.10143	6.0
114.93539	1.9
115.05470	12.9
116.36368	1.9
117.07002	13.6
119.04926	2.8
119.08591	22.6
121.06486	2.3
121.10126	6.8
123.08019	3.1
128.06201	5.6
129.07004	9.5
130.07712	2.7
131.04936	15.2
131.08572	12.3
133.06529	9.8
133.10101	7.2
135.08028	7.4
137.09616	2.9
141.06970	3.3
142.07768	5.9
143.04913	5.7
143.08569	16.7
145.02853	2.2
145.06470	9.0
145.10106	13.1
147.08041	18.8
149.05901	2.7
149.09589	8.2
151.07579	2.7
153.06931	3.3
154.07712	3.7
155.08603	11.8
156.09317	7.3
157.10129	22.1
158.07243	2.5
159.08026	10.1
159.11703	6.4
161.05980	11.5
161.09631	11.1
163.07559	5.7
163.11200	3.7
165.06979	4.5
165.09103	15.6
166.07756	3.7
167.08569	3.7
169.10161	15.0
170.07211	2.4
170.10860	6.7
171.08063	10.5
171.11696	28.2
172.08708	2.8
173.05963	3.5
173.09622	11.7
173.13298	2.3
175.07564	12.8
177.09091	4.8
178.07785	3.8
179.08522	4.6
180.09396	2.5
181.10106	5.8
183.08025	8.1
183.11696	25.7
184.08971	3.6
184.12160	2.3
185.09602	8.6
185.13271	24.9
187.07484	4.8
187.11110	6.3
189.05408	6.3
191.10672	2.3
193.10144	4.9
194.10988	1.9
195.08083	3.0
195.11662	5.8
196.12538	2.0
197.09653	13.1
197.13261	4.8
198.10275	3.4
199.07608	2.5
199.11172	10.3
200.11847	2.6
201.09103	3.7
201.12735	4.8
203.07053	9.9
203.10735	3.3
205.12190	3.4
206.10893	2.9
207.10017	3.4
207.11739	5.2
209.09618	5.2
210.10426	2.1
211.11177	11.1
213.09090	4.8
213.12747	27.9
215.10657	5.4
216.09383	2.2
217.10210	3.2
217.12091	2.8
218.10783	3.0
219.11655	4.0
221.07953	9.6
221.13239	5.3
223.11182	4.1
223.14726	2.5
225.09082	4.3
227.10707	3.4
229.12390	4.9
230.10884	4.1
231.09949	3.9
231.11884	3.2
231.13834	5.2
232.12311	4.3
233.09442	2.5
233.13316	3.8
237.08983	2.2
237.12746	4.3
239.10716	2.4
241.12251	3.7
242.10915	2.9
243.11662	4.8
243.13797	8.4
244.12498	4.2
245.13326	2.9
245.15388	14.2
246.14093	3.4
247.11102	4.3
248.12120	2.5
251.10574	2.8
253.12393	2.4
255.11655	3.7
257.11743	6.1
259.15106	3.4
261.12686	4.4
269.13235	3.9
270.13785	2.2
271.14883	4.5
272.11890	3.4
273.12317	2.3
273.14890	9.8
274.13068	2.6
282.13977	3.7
283.11206	2.7
283.14691	2.9
284.15646	2.4
285.13065	3.3
285.16339	7.4
287.14371	3.9
288.15067	2.9
289.14352	3.4
298.13535	3.6
299.14197	5.8
300.15015	3.9
301.15948	2.8
303.17297	3.1
311.14136	2.2
312.15070	4.8
313.12372	2.8
313.15735	11.4
315.13776	3.8
315.17371	4.7
317.15302	4.2
317.18872	3.8
319.16870	2.5
325.15726	2.5
327.17273	5.3
329.15353	6.1
330.16022	2.9
331.16776	6.1
340.14648	2.5
341.15335	6.5
343.16800	6.0
345.18405	4.6
347.16373	3.8
355.16803	8.3
359.16214	3.7
359.20004	4.2
361.17761	4.0
363.19525	2.9
371.16171	3.8
373.18085	13.4
375.19623	4.3
383.16232	2.3
385.17923	3.4
387.19629	9.3
389.17905	2.2
391.18875	5.2
401.17307	6.4
403.18890	7.1
405.20508	8.5
407.18845	2.6
415.19272	10.3
421.19925	2.5
433.20169	15.2
439.21103	2.4
447.21503	7.7
449.19290	2.6
451.20926	3.3
465.22583	10.4
467.20346	6.4
485.21286	3.0
493.22314	7.2
507.23621	5.6
525.24921	6.1
529.24658	3.4
553.24194	6.8
567.25574	6.0
575.48083	2.4
585.27094	6.9
685.31903	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	685.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01866	5.1
55.05270	4.8
55.05512	70.4
56.86644	2.3
62.09609	2.5
62.73304	2.1
67.05487	5.5
69.03411	3.9
69.07062	4.8
69.85724	13.0
79.05484	11.0
81.03426	2.7
81.07034	4.4
81.78098	2.8
83.04983	100.0
85.02929	3.2
91.05485	20.0
93.07030	9.3
95.04946	5.4
95.08590	4.4
103.05486	20.8
105.03358	5.4
105.07041	23.9
106.04150	2.5
107.04971	4.1
107.08564	9.8
109.06510	7.3
115.05421	13.3
116.06216	2.8
117.07020	18.4
119.04973	3.7
119.08579	25.9
121.06499	4.1
121.10123	7.5
128.06226	9.0
129.06985	11.6
131.04922	34.6
131.08566	13.3
132.05240	7.5
133.06470	15.2
133.10130	16.6
135.04367	2.6
135.08038	5.9
136.82339	2.5
137.05966	3.3
137.09624	3.4
141.06989	4.4
142.07790	5.8
143.04877	6.2
143.08563	15.7
145.06520	13.9
145.10158	15.7
147.08064	19.6
149.09604	9.6
153.06999	6.3
155.08522	12.6
156.09355	13.1
157.10127	27.0
159.08090	16.2
159.11662	8.1
161.05971	19.8
161.09605	9.5
162.06662	2.6
165.07043	5.6
165.09088	15.7
167.08554	6.4
168.09279	3.8
169.06479	3.7
169.10127	19.9
170.10820	7.2
171.08073	11.6
171.11703	34.4
172.12025	3.9
173.06046	6.1
173.09628	10.7
173.13387	3.1
175.07545	18.1
175.11139	2.9
176.08131	2.8
177.09085	14.4
179.08553	4.2
180.09242	2.8
181.08609	3.1
181.10089	6.5
182.07272	2.6
183.08153	11.7
183.11674	24.8
184.08762	4.4
184.12099	2.9
185.09703	11.7
185.13313	23.7
187.07603	5.7
187.11201	9.7
189.05409	7.1
189.09064	6.9
191.10632	4.0
193.08492	5.5
193.10071	6.4
195.07954	3.7
195.11649	7.2
197.09561	16.3
197.13266	5.0
198.10379	5.2
199.07573	6.4
199.11224	16.4
201.09114	7.3
201.12746	5.6
203.07028	7.9
207.09923	3.8
207.11699	5.3
209.09726	4.0
211.11220	12.4
213.09097	5.2
213.12733	34.7
214.13202	3.6
215.10594	4.9
218.10774	3.5
219.11673	4.1
221.08049	9.5
221.13237	5.1
223.11275	5.8
225.09039	4.7
227.10756	3.0
229.12201	7.9
231.09973	4.5
231.13742	4.7
233.09566	3.4
233.13234	3.7
237.12727	4.9
241.12245	5.6
243.13817	6.3
245.13406	3.2
245.15315	11.8
247.15042	3.8
255.11720	4.1
256.12405	4.4
257.11441	3.5
257.13443	4.9
259.14853	7.4
260.15594	3.1
261.14886	4.0
262.13702	3.0
267.11737	2.6
269.13419	5.0
269.93326	2.6
270.13919	3.8
271.15100	4.7
272.12054	2.7
272.15585	3.8
273.12387	3.3
273.14801	19.7
274.13208	2.6
275.14432	4.5
282.13782	3.6
283.14630	3.1
285.12869	3.8
285.16278	8.7
286.13446	3.9
287.14224	6.1
289.14462	6.7
297.12616	7.3
297.16229	4.6
298.13568	4.7
299.17746	5.4
301.12350	2.8
301.15720	6.1
303.13519	2.6
311.14154	5.4
312.14908	3.0
313.12396	3.7
313.15839	9.4
315.13855	5.2
315.17313	5.1
316.14279	3.5
317.15472	3.1
317.18866	2.7
327.13275	3.5
327.17252	6.3
329.15292	8.5
331.16843	10.7
341.15417	6.3
343.16940	4.6
345.18353	9.8
355.16971	9.9
359.16168	4.7
360.17108	3.7
361.17621	3.7
373.18039	15.7
375.19641	5.3
377.21191	5.4
383.16437	3.8
387.19641	12.1
391.18536	5.1
401.17453	8.4
403.18765	7.2
405.20502	11.1
415.19116	14.9
419.18130	3.3
421.19760	3.6
423.21719	4.8
433.20163	15.2
435.21851	4.2
447.21579	9.2
451.21167	6.7
465.22824	14.5
493.22174	9.9
507.23575	8.5
525.24615	8.1
547.26208	3.1
553.24139	5.8
567.25476	5.5
585.26233	7.5
634.30035	3.8
667.30371	5.5
685.32703	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	685.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01865	7.9
55.05512	9.1
55.28960	1.7
61.00192	1.7
65.47827	1.5
67.05495	4.3
69.61203	11.3
71.05002	1.7
79.05493	4.6
81.03413	3.8
83.04985	34.5
91.05467	9.5
93.07040	4.4
95.04967	5.9
95.08611	3.2
103.05478	27.9
105.07027	10.0
107.04957	2.5
107.08568	2.9
109.06485	3.0
115.05447	4.7
117.07019	7.9
119.08590	16.1
121.06547	3.0
121.10144	4.4
128.06213	3.7
129.07028	9.0
130.07776	1.9
131.04930	56.5
131.08563	7.9
133.06483	2.1
133.10124	14.9
135.08025	2.2
136.30136	1.7
142.07777	3.9
143.08562	8.6
145.06494	7.5
145.10117	6.9
147.08058	34.8
147.11716	2.0
149.09659	5.2
153.07086	2.2
155.08618	2.9
156.09334	4.3
157.10181	14.4
159.08087	17.2
159.11703	7.3
160.07686	1.8
161.09604	16.3
163.07565	16.6
165.06972	2.0
165.52145	1.8
166.07684	1.8
167.08496	2.6
169.10110	6.8
170.10851	4.1
171.08098	4.0
171.11705	22.1
173.05968	4.0
173.09589	8.5
173.13304	3.5
175.07521	3.6
183.11667	14.7
185.09660	7.6
185.13222	17.5
185.75449	1.6
187.11188	4.0
189.09102	4.2
193.10136	2.2
195.11668	3.1
197.09512	3.8
197.13235	5.2
199.11151	8.6
200.12099	1.8
201.09113	5.4
201.12851	2.5
207.11876	1.9
209.13252	1.8
211.08617	1.7
211.11194	1.9
213.12767	16.4
217.12315	2.4
220.53299	1.6
221.13287	2.6
223.11075	3.8
225.10216	4.9
226.11047	2.3
229.12279	2.5
229.25064	1.9
231.13803	4.2
237.10310	3.0
237.12683	2.2
238.10962	3.5
239.11797	4.2
239.51688	1.9
241.12343	5.1
243.13936	2.3
245.15335	9.3
251.08330	2.8
251.11787	3.1
253.13408	18.1
255.13803	4.2
259.13275	6.9
265.13342	1.9
273.14917	8.7
275.08118	4.4
277.09537	2.3
280.08423	1.9
285.12787	2.4
287.11026	2.1
287.14255	2.4
291.15933	2.1
297.12643	2.2
300.15039	3.2
303.07678	5.7
312.14792	2.5
314.12784	2.7
315.17328	4.1
317.19232	2.1
326.13376	2.5
327.17438	5.3
328.14639	2.4
329.15091	2.5
329.18851	3.1
331.06995	2.6
333.18454	2.3
341.18951	5.6
345.18900	3.5
359.20056	7.8
360.17227	2.1
372.17065	2.6
374.15118	2.1
387.19757	6.0
389.21448	2.7
391.22607	4.7
400.16556	18.2
401.21097	12.1
404.19800	3.7
405.20981	2.5
419.16315	2.3
419.22250	17.4
421.16641	2.2
426.14484	4.2
433.16797	3.6
435.18094	4.3
437.23224	6.5
457.16797	3.9
459.18054	2.2
460.18723	17.3
461.15994	2.5
463.21683	2.3
485.16217	2.6
487.17142	2.1
491.20792	3.8
493.22079	2.7
501.19122	4.9
515.20557	6.7
516.21082	5.6
523.23651	3.2
533.21515	2.3
543.20282	5.7
545.17841	2.7
547.23157	7.2
565.24316	3.5
566.25195	3.7
575.23041	17.5
579.22522	3.1
591.25562	5.6
593.24078	2.4
597.27441	2.2
603.22412	100.0
604.22449	2.5
609.27350	8.0
621.22968	6.8
625.26428	3.6
635.25012	91.3
636.25446	3.7
653.25958	56.8
654.25940	3.0
685.28448	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	684.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01864	2.8
55.05273	2.1
55.05513	31.9
56.47073	1.7
57.03455	11.0
57.07075	16.2
59.04992	2.6
60.02262	1.8
62.67191	2.0
65.03916	3.5
65.40560	1.8
67.05508	69.9
69.06724	3.4
69.07070	49.1
71.04993	9.9
71.08636	12.4
71.15518	3.5
73.04742	2.1
79.05070	3.0
79.05500	49.6
79.16407	1.9
81.07062	82.4
82.09693	2.0
83.04965	7.9
83.08154	3.0
83.08625	36.5
85.06532	3.2
85.10163	6.1
91.05477	72.0
93.06484	2.5
93.07053	48.3
95.04933	3.5
95.08612	64.2
97.06541	17.8
97.10174	17.3
105.07048	27.8
107.05009	1.9
107.08596	37.6
109.06517	4.6
109.10169	29.6
111.08060	10.7
111.11723	4.6
115.05467	3.4
115.07516	2.5
117.07018	48.1
119.08598	25.9
121.09334	2.8
121.10152	44.6
123.08066	5.3
123.11709	12.4
125.09630	8.9
129.07005	7.3
131.08580	37.2
133.10149	28.9
134.06017	2.3
135.11700	30.3
137.13182	2.0
139.11176	9.5
141.07045	4.8
143.08569	8.5
143.10771	2.4
145.10121	22.4
147.11700	15.4
149.13272	19.4
151.11214	2.7
153.12729	6.4
155.08589	2.5
157.10112	9.9
159.11676	12.7
161.13249	5.4
163.11174	2.9
163.14781	4.1
167.14236	4.4
169.10089	5.3
171.11656	12.0
173.13199	5.3
177.12767	4.0
183.11670	4.9
197.13315	2.9
205.19524	15.9
215.17909	4.8
223.20665	9.8
229.19499	3.6
233.19011	2.4
239.17949	13.3
251.20061	6.1
257.19003	29.8
263.08047	2.0
275.20056	26.2
287.22177	40.2
313.21500	2.5
325.23715	75.8
331.22726	26.1
341.23114	2.3
343.24796	100.0
349.23685	15.8
363.25311	3.3
369.14017	2.4
381.26376	13.9
411.16245	2.6
428.54352	2.4
446.20255	2.3
474.19699	4.4
486.19778	2.9
488.21286	2.4
504.20493	2.4
516.21350	2.2
534.21820	8.2
560.23450	2.3
561.24707	17.8
562.24982	6.1
581.41614	2.3
591.42474	27.3
592.26178	14.1
599.43097	22.0
617.44275	34.6
620.26038	3.6
621.26361	7.0
622.26453	2.7
649.47021	21.7
651.28180	2.6
652.28473	89.0
653.28461	8.7
684.45142	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	684.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38331	2.2
51.46043	2.2
53.03944	2.8
55.01875	4.9
55.05302	2.7
55.05515	30.8
60.34469	2.4
67.05495	6.6
69.03437	12.3
69.07064	4.5
69.34772	2.1
70.06597	23.1
71.61403	2.3
79.05498	8.3
79.07123	2.1
81.07052	9.2
82.02957	16.2
83.01388	3.3
83.04986	43.6
85.02897	3.4
86.06072	22.7
87.04460	13.7
87.62720	2.2
91.05475	15.0
93.07045	13.5
95.04985	6.5
95.08617	9.2
96.08111	2.7
98.06061	92.2
103.05478	9.4
103.08450	2.2
105.07037	14.7
107.04970	3.1
107.08603	8.7
109.06556	3.1
109.10160	3.6
111.04488	2.7
115.05463	5.7
116.07041	2.3
117.07023	34.6
118.06530	2.9
119.08596	23.2
121.06480	2.6
121.10110	6.4
122.06052	13.6
124.07624	10.4
128.06216	5.0
129.07025	9.0
131.04916	12.8
131.08582	20.9
132.05270	3.2
133.06519	5.1
133.10147	20.5
134.09534	3.3
136.06192	4.9
137.05945	3.2
141.07002	4.9
142.07779	6.6
143.04924	8.3
143.08562	18.3
145.06517	12.1
145.10115	11.4
147.08060	9.2
149.09633	5.3
150.05487	17.8
152.07109	3.9
155.08554	7.2
156.09358	10.7
157.06470	3.5
157.10141	21.5
159.08076	10.8
159.11684	7.4
161.06009	3.0
161.09598	14.7
162.09181	3.4
163.11203	2.6
165.06956	4.1
167.08585	7.1
168.06604	22.8
169.06425	3.0
169.10179	9.0
170.10930	9.9
171.08000	5.5
171.11690	29.1
172.08891	2.7
173.08308	2.5
173.09590	15.2
173.13240	4.6
179.08548	3.3
181.10143	8.6
183.08054	9.3
183.11682	21.5
184.08791	3.7
185.09627	8.3
185.13306	13.3
187.07596	3.3
187.11205	10.3
189.12834	3.7
193.10191	6.7
195.08084	6.3
195.11732	8.3
197.09627	13.5
197.13322	4.7
198.10440	4.8
199.07430	3.0
199.11160	19.2
200.10782	10.1
201.12712	2.9
202.12245	15.4
205.10187	3.3
207.11697	5.0
209.09625	7.7
209.13336	3.9
211.11143	5.3
213.12735	27.5
214.12360	3.9
215.10626	5.5
215.14410	3.8
217.10207	3.3
217.12131	4.0
218.10843	2.9
219.07863	2.9
219.11755	6.8
220.12694	2.7
221.09689	5.0
221.13364	6.3
223.11171	4.1
225.09097	3.8
225.12741	2.9
227.10555	3.2
228.10242	10.6
230.11871	20.5
230.15331	5.6
231.11667	11.1
231.13846	6.5
231.15765	3.7
233.13272	6.2
234.13948	3.3
237.09154	5.0
237.12859	3.6
241.12224	4.6
242.11617	3.3
243.11711	6.9
244.12709	7.5
245.13257	7.6
246.11299	4.3
246.13882	3.5
247.11255	5.5
247.14856	6.5
248.12860	26.5
248.15300	3.7
249.09036	2.7
249.12781	6.3
249.16559	4.6
251.10672	3.0
256.09717	5.4
256.12360	3.2
259.11011	4.4
259.14963	7.7
260.11935	3.0
261.12790	7.4
261.16431	5.1
262.13950	5.7
263.14316	5.7
263.18420	3.0
269.13104	4.0
271.14929	5.5
273.12601	3.0
273.16397	3.6
274.10880	5.6
275.11209	2.8
275.14410	6.0
275.17938	5.7
277.15851	3.8
282.14514	3.9
285.12759	4.3
285.16180	5.1
287.14383	6.5
287.17725	4.2
289.15936	4.6
290.16763	3.2
291.17267	3.8
292.19089	4.9
293.19452	8.4
294.19580	3.3
297.16388	2.8
298.14288	3.2
298.90628	2.6
299.14474	4.4
299.17685	3.3
301.15741	6.9
302.16486	5.1
305.15045	2.9
309.12534	3.5
311.17975	6.4
313.19510	3.7
315.17349	5.8
319.16815	6.1
324.15402	3.0
326.13736	3.2
328.15195	4.3
329.15396	4.2
329.18982	6.4
334.15195	2.8
339.17514	7.2
345.18552	2.7
347.20193	3.0
350.17093	2.5
357.18628	9.1
367.16806	5.1
377.17331	3.5
385.18039	4.6
406.20071	2.7
420.19135	4.5
434.26505	2.6
442.23679	13.8
444.25763	3.6
446.23361	4.2
452.22150	8.2
458.23334	5.3
460.25055	12.7
470.23422	19.9
476.24469	6.9
488.24402	44.2
500.21384	2.8
506.25455	40.7
508.20776	21.6
509.21606	28.0
520.26868	4.4
524.26770	15.4
538.27808	9.2
548.26624	21.7
566.27521	100.0
584.28522	85.6
648.31476	10.8
666.32672	52.3
684.37561	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	684.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	26.6
65.03243	0.9
67.05499	1.7
69.03434	3.4
69.07072	1.2
69.32977	6.7
70.06578	2.1
72.04516	3.3
74.06075	1.0
74.09718	1.1
79.05499	3.1
81.07095	1.7
82.02969	2.3
82.06589	0.8
83.04989	36.9
86.04827	0.8
86.06103	1.2
91.05471	7.2
93.07060	3.7
95.04975	2.8
95.08619	2.9
98.06053	5.2
103.05448	2.0
105.07032	7.9
107.08609	3.2
109.06507	1.0
109.10226	1.0
110.06061	3.4
115.05475	3.6
116.06243	1.1
117.07032	7.4
118.06516	0.8
119.08598	10.4
121.06538	2.0
121.10185	1.0
126.05523	14.3
127.07569	3.6
128.06296	1.3
128.07147	1.0
129.07051	3.0
130.07820	1.7
131.07286	0.7
131.07651	1.0
131.08578	8.5
132.08122	1.0
133.06493	1.5
133.10152	8.1
135.08095	1.8
140.07083	1.3
141.07001	2.2
142.07851	2.4
143.08572	5.7
144.08098	1.2
144.09447	0.9
145.06522	3.1
145.08995	1.3
145.10136	8.5
146.09619	1.6
147.08075	3.3
149.09677	3.0
151.66258	0.8
155.08569	3.6
156.09351	4.1
157.10136	10.5
159.08119	2.9
159.11665	4.4
160.07600	0.9
161.09662	3.8
162.09131	1.7
165.07018	1.1
165.09122	1.2
167.08665	1.2
168.09357	1.1
169.10156	4.7
170.10962	2.6
171.11717	14.1
173.09662	5.6
175.11205	1.4
176.10718	1.8
177.09131	0.9
178.12347	1.2
181.10136	2.2
182.11044	1.2
183.08095	1.4
183.11737	8.6
185.09663	3.3
185.13310	8.8
186.09142	1.3
187.11198	2.6
188.10701	7.6
189.09132	1.0
191.10722	1.4
193.10217	1.6
194.10941	1.2
195.11722	2.8
197.09668	1.9
197.13257	2.6
198.10381	0.9
199.11182	5.8
201.09195	1.7
201.12851	1.2
202.12273	1.9
204.10240	5.1
205.10988	1.5
206.11809	16.0
207.11823	3.5
208.12505	1.0
209.09618	1.0
209.13309	1.7
211.11230	2.2
213.12749	10.7
215.10738	1.5
217.08528	1.9
217.12370	1.5
218.11751	3.0
220.13335	4.9
221.13271	2.9
223.11296	2.1
229.12273	1.3
230.11806	1.0
231.11728	2.4
231.13902	5.0
232.09656	1.6
232.12512	0.9
233.13383	2.8
234.11238	3.0
235.14819	1.7
236.11986	0.9
240.13988	1.1
244.12903	1.8
245.13409	2.4
246.14729	1.2
247.11223	1.3
247.14879	2.0
248.12737	1.0
249.16522	2.4
255.59515	0.9
256.12967	1.6
257.13654	1.6
258.14429	1.9
259.13095	1.5
259.15231	1.7
260.15640	1.1
261.12845	1.5
262.13559	1.2
263.14426	1.0
270.14359	0.9
271.14975	1.0
272.15564	1.1
273.16733	1.0
275.14694	1.0
277.15689	0.9
285.16089	0.9
287.14618	1.7
288.15939	1.2
291.17438	2.9
296.45468	1.0
299.14774	1.0
299.18048	1.5
301.16028	2.0
304.15482	1.9
305.15463	1.1
311.14273	1.5
315.17075	1.1
316.15262	1.6
319.16983	1.6
337.18112	1.7
374.21149	1.2
386.21170	0.8
388.18622	0.9
390.20816	1.0
400.22754	1.6
406.01587	0.9
416.22345	1.1
418.24081	2.5
428.22333	3.0
431.20276	0.9
434.23483	1.8
446.23300	8.4
464.24371	7.4
478.26221	2.6
482.25525	1.7
506.25549	3.3
524.26410	5.3
536.26208	4.0
538.28168	2.5
546.28259	1.1
564.29730	1.5
566.27655	3.4
584.28552	13.2
598.30530	5.1
602.29974	1.2
606.31073	1.5
624.31519	2.3
652.31531	1.5
666.32867	9.7
684.33710	100.0
685.34045	3.4
714.27118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01873	2.5
55.05260	1.7
55.05516	25.3
67.05503	4.1
67.92914	0.9
68.05030	1.6
69.03436	10.1
69.07067	2.1
69.94220	5.1
70.06595	26.9
75.97913	1.0
77.03947	1.0
79.05497	4.7
80.05009	1.8
81.07055	6.7
82.02955	14.4
83.01339	3.1
83.04987	31.3
84.04500	1.2
86.06071	15.7
87.04484	9.3
91.05492	11.7
93.07055	6.8
94.06616	2.6
95.04973	3.8
95.08611	3.6
96.08151	1.3
97.06539	3.0
98.06063	87.4
105.07039	10.1
107.04889	0.9
107.08585	4.4
109.06513	3.5
109.10192	2.4
111.08045	1.2
115.05486	6.5
116.06245	1.4
117.07030	33.3
119.04972	1.2
119.08588	18.7
121.06459	1.9
121.10163	4.4
122.06031	12.2
123.08091	2.5
123.11716	1.3
124.07596	9.9
126.05523	2.5
128.06218	4.4
129.07007	10.5
130.07770	1.4
131.08578	15.9
133.06497	3.9
133.10144	12.7
135.08057	3.5
137.09587	1.4
140.07091	5.3
141.07010	4.3
142.07782	5.7
143.04930	7.6
143.08562	15.5
144.09303	1.3
145.06483	12.8
145.10121	8.4
147.08081	7.0
147.10313	0.9
147.11700	3.1
148.07561	1.2
149.09622	3.3
150.05510	17.6
150.09076	1.2
152.07126	2.0
153.07065	1.3
154.07793	2.0
155.08537	7.0
156.09355	9.8
157.06474	3.2
157.10135	17.2
158.07248	1.2
159.08049	9.5
159.11713	5.2
160.07668	1.3
161.09633	10.3
161.13237	1.5
162.09074	1.4
164.07039	1.1
165.06979	4.0
165.09088	1.7
166.07802	2.3
167.07239	1.3
167.08548	6.6
168.06586	27.7
169.06494	2.8
169.10135	7.9
170.10934	5.7
171.08025	6.5
171.11693	21.7
173.05951	1.6
173.09619	9.6
173.13266	2.2
174.10411	1.2
175.11246	1.4
176.10747	1.7
179.08556	3.6
179.10643	1.4
180.09319	2.3
181.10121	6.2
182.07320	1.8
183.08090	6.7
183.11699	12.8
184.08844	3.7
185.05852	1.3
185.09647	6.1
185.13245	14.7
187.07570	1.6
187.11179	3.8
187.14749	2.4
189.09102	1.2
189.12788	1.7
193.10129	4.4
194.10921	1.8
195.08067	4.4
195.11658	6.3
196.08922	2.1
197.09645	10.7
197.13298	3.8
198.10414	5.3
199.07603	1.1
199.09483	1.6
199.11206	20.0
200.10631	7.6
201.12787	2.5
202.12288	13.8
203.08633	1.4
205.10152	2.4
206.10898	1.9
207.08168	1.3
207.11670	5.0
209.09619	7.3
209.13324	3.2
210.10439	1.3
211.07645	1.7
211.11156	7.1
213.09245	1.2
213.12753	27.6
214.12312	3.1
215.10757	1.6
215.14320	2.0
216.13766	1.7
217.08440	1.5
217.10187	2.6
217.12120	1.8
218.10909	2.0
219.11758	3.8
220.12502	2.0
221.09627	3.1
221.13385	5.0
222.10466	1.9
223.07542	2.4
223.11208	4.9
223.14903	1.8
224.11800	1.2
225.09167	4.6
225.12753	2.1
226.12415	1.3
228.10266	8.0
228.13881	1.7
229.10225	2.6
229.12305	1.9
230.11803	19.3
231.11674	5.5
231.13832	6.2
232.09114	1.6
232.12505	2.9
233.09694	2.4
233.13402	5.1
234.14021	2.0
235.11249	2.5
235.14847	4.1
236.11984	1.5
237.09145	2.7
237.12845	3.3
239.10631	2.1
241.12227	4.2
242.11714	1.9
243.11771	4.1
244.13045	5.1
245.09639	1.7
245.13313	7.1
246.11082	3.8
246.14075	3.8
247.11172	5.4
247.14832	3.4
248.12866	23.9
248.15491	1.7
249.12860	4.9
249.16489	2.1
251.10666	2.1
251.14307	2.8
255.11757	1.8
256.09674	6.5
256.12357	1.9
257.13297	4.2
258.11072	4.0
258.14105	3.1
259.11044	1.8
259.13123	3.6
259.14883	5.4
260.12439	3.5
260.15640	3.2
261.09235	1.5
261.12769	6.0
261.16412	3.1
262.14038	4.8
263.14331	2.8
263.18027	1.6
265.12247	2.6
268.12967	1.9
269.13327	3.9
270.11169	1.6
270.14169	2.6
271.11130	3.4
271.14850	4.0
272.12173	2.6
272.15485	2.0
273.12741	3.3
273.16278	4.0
274.10779	7.4
274.13669	1.6
274.17130	1.6
275.14279	4.9
275.17896	2.0
276.12054	1.4
276.15189	1.4
277.12079	1.6
277.16058	2.3
279.13943	1.5
281.13327	3.3
282.14261	3.6
283.14880	2.8
284.11887	1.4
284.15500	2.3
285.12692	3.1
285.16339	3.2
286.13943	4.2
287.14304	6.9
287.17505	1.7
289.12338	1.5
289.15857	4.3
291.17398	3.5
294.14417	1.7
296.15506	1.8
297.12680	2.1
297.16522	2.9
298.13919	2.3
298.17227	1.6
299.14374	3.9
299.17612	2.0
300.15308	1.5
301.12527	1.4
301.15900	5.4
301.19174	2.0
302.16574	2.6
303.17453	1.5
305.15479	2.4
309.12766	3.5
310.14230	2.4
311.14374	2.8
311.17941	2.8
313.16046	2.3
313.19434	2.4
314.16779	1.8
315.13745	1.5
315.17432	3.2
317.15286	1.6
317.18924	1.5
319.16959	4.9
320.17172	1.5
324.15088	2.2
326.13596	1.2
327.13953	2.3
327.17520	3.9
328.15457	2.8
329.19177	5.1
331.20581	1.3
332.16757	1.2
337.16614	1.2
339.17319	8.1
340.15521	1.2
341.15228	1.4
341.19049	2.8
343.16788	1.5
345.18362	1.6
346.16891	1.3
357.18454	10.3
359.20303	1.9
367.16949	3.0
373.18140	1.1
375.19818	2.6
377.20944	1.3
380.18668	1.3
385.17911	6.9
403.19098	3.6
406.20071	2.5
414.24387	1.4
416.22250	1.5
424.22546	3.2
426.25113	2.1
428.22205	3.6
430.19339	2.0
430.24371	1.8
432.25333	2.3
442.24005	9.7
444.25378	3.8
446.23148	3.7
452.22141	3.8
458.23441	6.1
460.24777	8.4
462.26624	1.4
470.23392	19.4
476.24854	4.9
478.25732	3.0
481.22067	1.2
488.24338	34.2
489.24478	1.1
506.25458	37.6
507.25327	1.7
520.27081	1.2
524.26471	17.0
530.25519	1.5
538.27789	5.3
548.26532	18.5
566.27545	100.0
567.27563	3.2
570.28333	1.5
584.28571	77.3
585.29156	1.9
588.29919	1.6
606.30389	1.6
615.53949	1.2
648.32153	6.8
666.32794	49.9
667.32806	1.5
684.33746	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	684.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29020	1.0
52.21457	0.9
53.03944	1.8
53.93051	0.9
55.01886	1.2
55.05513	19.0
57.03447	1.5
59.05009	2.5
59.67066	1.0
67.05509	12.2
69.03437	3.9
70.06599	6.5
74.27806	0.9
79.05499	3.2
80.05013	1.2
81.07062	3.8
82.02959	3.4
82.75762	1.0
83.04986	27.7
83.05463	2.0
83.08612	1.3
85.02909	1.3
86.06071	5.1
87.04471	6.2
91.05476	7.9
93.07053	3.0
93.62029	1.0
95.04990	4.6
95.08613	2.9
97.06538	1.3
98.06056	19.5
103.05476	14.5
104.05807	2.0
105.03436	1.0
105.07037	6.7
106.95244	0.9
107.08607	3.1
108.04474	2.8
109.06535	2.8
109.10158	7.8
115.05495	1.9
116.10728	1.2
116.52676	1.0
117.07032	8.2
119.04959	1.4
119.08595	9.0
119.34435	0.9
121.06540	1.3
121.10164	1.5
122.06050	2.9
123.08128	1.2
124.07578	2.5
126.05495	2.3
127.38592	0.9
128.06250	2.4
129.07042	3.0
131.04930	28.2
131.08591	4.4
132.05266	2.2
133.06546	2.9
133.10168	4.2
135.08043	2.8
136.07646	1.2
140.07065	1.4
142.07785	3.3
143.04900	1.4
143.08569	5.5
143.61023	1.0
145.06505	4.6
145.10152	4.3
147.08080	4.0
149.09648	2.0
150.05537	3.4
151.07611	1.4
152.07103	1.0
155.08595	3.1
155.10692	1.8
156.09383	2.0
157.10088	7.4
159.08080	3.5
159.11732	3.4
161.05968	2.3
161.09676	3.0
163.11281	1.7
165.07025	1.4
166.07759	1.0
167.08591	2.3
168.06584	7.4
169.10187	4.6
170.10942	3.2
171.11685	9.4
172.08905	1.5
173.05992	1.8
173.09615	4.1
175.07625	1.6
175.11211	1.1
177.09167	1.8
178.07727	1.2
179.08609	2.0
180.09439	1.4
181.10124	7.3
183.08081	1.6
183.11690	9.6
184.08827	1.3
185.09698	3.2
185.13272	7.8
187.07549	1.2
187.11205	1.9
188.10677	5.8
193.10185	3.1
194.10910	1.9
195.11736	4.2
197.09680	3.2
197.13274	3.0
198.10373	1.1
199.11244	5.8
199.12918	1.0
200.10619	1.6
201.12794	1.6
202.12444	1.7
203.14417	1.3
205.10219	2.6
206.10997	1.4
207.08047	2.5
207.11752	4.0
208.12624	1.4
209.09714	2.7
209.13281	3.4
211.11194	2.8
213.09178	1.3
213.12788	8.8
214.18086	4.4
215.10701	2.1
216.09436	1.3
217.10240	2.5
218.10966	1.9
219.11763	3.9
221.09723	1.5
221.13301	4.3
223.11154	1.8
223.14851	1.1
225.12941	1.8
227.10721	1.2
229.10164	2.3
229.14296	6.2
230.11133	3.2
231.11757	4.9
231.13849	2.4
232.12433	4.7
233.13329	4.9
234.11282	3.8
235.11267	2.6
235.14842	2.0
237.12738	1.7
239.14429	2.6
241.12373	2.0
242.11081	1.3
243.11806	4.9
243.13867	1.4
244.12463	5.8
245.13275	6.7
245.15515	2.4
246.14003	1.9
247.14951	5.6
249.12791	2.2
249.16568	2.0
255.11761	1.5
256.12479	1.8
257.13495	5.6
258.14145	7.7
259.14960	7.4
260.15601	1.2
261.12723	2.5
261.16537	1.5
262.13638	2.1
263.14334	1.7
263.18048	1.7
265.15918	2.2
266.11066	1.3
267.11560	1.9
268.12411	2.1
269.13202	4.9
270.14066	1.9
271.14883	4.1
272.15549	2.2
273.12473	1.2
273.16678	9.3
274.17264	2.1
275.14328	3.1
275.17752	1.8
281.13361	3.2
282.14215	3.7
283.14896	3.2
284.12357	1.3
284.15564	2.3
285.12976	1.5
285.16412	2.8
287.14151	1.7
287.17828	1.4
288.15024	1.2
289.15784	1.4
291.17444	3.9
295.14758	2.8
296.15720	2.4
297.16434	2.4
298.13620	1.1
299.14365	1.4
299.18005	1.6
301.15976	4.2
303.17426	2.1
311.18018	10.8
312.14972	1.1
313.15958	2.9
313.19717	2.7
315.17682	1.2
319.16968	3.0
329.18906	2.2
331.16898	1.2
339.17288	4.8
345.18546	1.8
357.18408	2.7
367.17026	1.1
373.18088	2.0
375.19330	1.4
377.21243	1.5
383.24396	4.0
388.19000	1.5
391.18912	1.5
401.17328	1.6
405.20731	3.2
416.22095	2.0
423.21997	1.8
424.22913	1.5
426.20605	4.9
428.22601	2.5
433.20038	1.8
434.23489	1.8
438.20114	1.1
442.23712	6.6
444.21793	3.7
451.21606	2.1
452.22101	2.3
456.21677	2.1
456.61884	1.1
460.24854	2.6
464.24414	1.1
469.22241	1.4
470.23260	4.9
474.22409	1.6
478.26080	1.3
488.24448	5.3
492.23706	1.2
506.25381	8.3
524.26392	6.8
552.25818	1.7
556.29199	5.1
566.28192	1.4
584.28931	2.6
631.28589	2.1
652.31079	2.4
666.32739	3.3
684.33783	100.0
685.34174	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	684.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.0
55.05520	18.7
56.05046	3.4
62.59764	1.7
67.05508	2.5
67.31493	1.7
68.05013	2.9
69.03431	17.0
69.07079	4.1
70.06596	12.2
71.35613	2.6
71.35950	2.8
72.04522	3.4
74.06091	6.7
78.53194	2.0
79.05500	8.6
80.05019	2.9
81.03431	2.2
81.07023	4.9
82.02947	17.2
83.01363	2.4
83.04988	24.2
85.02898	2.3
86.06083	6.1
87.04479	3.0
91.05460	14.5
93.07063	10.1
95.04971	3.4
95.08623	6.0
96.04487	2.6
98.06059	31.6
103.05476	3.0
105.07017	12.9
107.08600	7.6
108.04479	3.7
108.08143	3.0
109.06550	3.5
109.37223	2.2
110.06067	2.2
113.05993	3.7
115.05487	6.4
117.07029	20.7
119.08594	24.1
121.06465	2.6
121.10169	3.2
122.06066	6.1
124.07629	3.6
126.05523	100.0
128.06219	3.7
128.18260	1.8
129.07031	8.8
130.06598	2.2
130.07819	2.1
130.77458	2.1
131.04945	2.7
131.08592	11.4
133.06488	4.6
133.10146	16.3
135.08020	3.7
140.07153	2.5
141.06981	4.2
142.07758	9.2
143.08589	19.7
145.06479	11.9
145.09058	3.4
145.10107	14.7
147.07014	1.9
147.08075	10.6
147.11665	2.4
149.09645	4.3
150.05536	5.8
154.07809	2.3
155.08575	8.1
156.09384	10.7
157.06509	3.7
157.10133	24.4
157.11304	2.2
158.07368	2.4
159.08061	9.2
159.11723	7.3
161.09633	12.6
162.09160	3.5
165.07062	5.8
167.08580	5.8
168.06602	5.3
168.09381	2.5
169.06636	2.3
169.10144	12.2
170.11017	10.6
171.08073	8.6
171.11711	41.3
172.08838	3.6
173.09637	13.3
173.13255	4.8
175.10997	2.1
176.10809	2.8
179.08662	3.0
180.09352	3.0
181.10110	5.8
183.08076	6.8
183.11705	25.2
184.08873	3.5
185.09642	7.4
185.13248	32.1
186.09119	4.4
187.11247	7.5
188.10725	22.0
193.10156	6.0
195.11719	7.1
197.09586	9.6
197.13309	5.2
198.10400	6.1
199.11217	21.8
200.10645	3.8
202.12274	9.5
204.10257	7.5
206.11803	35.4
207.11722	8.1
209.09732	4.9
209.13283	4.8
211.11234	12.1
213.12744	48.2
214.08646	4.0
215.10712	2.7
215.14229	2.2
216.10197	4.6
217.08487	2.8
217.10294	3.1
217.12175	2.5
218.11765	6.1
219.11757	6.6
220.13029	4.6
221.09541	3.1
221.13239	5.5
223.11230	8.6
225.09225	2.3
225.12747	2.2
229.12265	3.4
230.11617	7.1
231.11876	3.0
231.13858	5.1
232.09689	9.3
232.12556	3.7
233.09468	3.0
233.13293	7.6
234.11281	7.6
234.13910	3.6
235.11308	2.5
235.14926	5.0
237.12924	2.5
241.12300	4.5
243.11844	5.3
243.13997	3.0
244.12791	7.5
245.13303	6.7
245.15469	7.5
246.11188	3.1
247.11357	6.0
247.14893	6.7
248.13048	10.0
249.12746	3.0
253.10066	2.3
255.14024	3.2
256.13321	4.2
257.13312	5.3
258.11325	3.7
258.14136	5.6
259.11050	3.9
259.15118	11.0
260.12289	4.7
260.15643	3.7
261.12836	7.3
261.16486	6.9
262.13837	4.2
265.12473	3.3
265.15836	2.2
268.13049	3.4
269.13080	3.2
271.11160	3.4
271.15005	3.1
272.12653	3.7
273.12485	3.2
273.15042	11.0
274.14365	8.6
274.17184	2.3
275.14258	3.7
276.15033	2.5
285.12857	3.4
286.13913	4.0
287.14423	9.2
287.17514	2.4
289.15866	5.6
291.17386	6.4
298.14008	3.6
301.16006	6.4
302.13757	2.6
302.16797	5.2
312.15814	2.5
313.15945	2.8
319.16943	5.3
320.17477	2.8
333.17230	2.4
344.15277	2.0
346.16510	2.4
357.18387	3.8
371.19482	2.1
374.21500	3.0
376.22879	2.5
386.21472	9.4
391.40149	2.4
400.22711	5.5
404.22128	3.1
410.20901	4.2
416.22424	6.7
418.24057	4.7
428.22342	24.1
429.22403	2.6
442.23721	4.1
446.23285	29.1
447.24408	2.2
460.24896	16.0
464.24435	5.3
470.23245	5.4
478.25851	13.2
488.24124	9.9
496.25961	3.6
502.25839	3.1
506.25513	24.8
514.26184	6.5
520.27112	5.9
524.26538	11.1
532.26691	2.8
538.28040	7.8
546.28473	3.1
548.26227	6.5
556.28967	4.1
566.27460	22.1
574.28156	4.5
584.28442	11.7
592.29004	3.1
598.30811	4.9
606.30304	2.0
624.32025	3.4
634.30237	18.4
642.32343	3.4
652.31244	46.0
653.31793	2.9
666.32697	28.5
684.33807	88.0
685.34052	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	684.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	10.3
55.01873	8.1
55.05518	32.7
67.05515	21.2
69.03427	8.1
69.07057	7.5
70.06587	14.3
77.03944	4.2
79.05493	16.7
81.07069	11.5
83.01351	5.8
83.04982	38.3
85.06543	6.0
87.04478	7.5
91.05486	39.7
93.07063	24.3
95.04961	36.0
95.08606	11.6
97.06545	6.0
103.05468	18.6
105.03407	100.0
105.04514	6.4
105.06393	6.2
105.07040	80.8
107.04971	4.6
107.08604	21.4
109.06532	8.3
109.10146	16.3
115.05447	18.2
117.07026	41.0
119.08583	72.0
121.06466	11.5
121.10198	9.6
123.04408	4.7
128.06224	10.5
129.06987	18.4
130.99956	4.6
131.04947	21.5
131.08586	40.4
132.05313	4.3
133.06493	38.3
133.10133	29.4
135.08070	18.5
141.06992	13.2
142.07799	15.0
143.08591	37.8
145.06465	15.8
145.10124	30.1
147.08075	22.9
149.05994	7.2
149.09595	32.4
151.07600	5.9
154.07713	5.5
155.08549	17.0
156.09312	18.5
157.10153	88.7
157.11348	3.0
158.10855	5.5
159.04378	4.4
159.08095	27.7
159.11696	51.7
161.05998	44.2
161.09669	11.9
163.07562	23.2
165.06998	6.3
167.08536	10.8
168.09323	6.6
169.10175	37.5
170.10846	19.6
171.08072	13.3
171.11707	67.6
173.05981	16.2
173.09627	29.6
173.11926	4.3
173.13260	19.1
175.07602	20.8
177.05522	6.0
177.09126	49.6
179.07095	8.1
179.08578	8.7
181.10118	24.3
183.08098	14.0
183.11702	93.8
184.12187	5.7
185.09680	21.2
185.13281	28.2
187.07542	12.2
187.11157	27.2
189.05562	22.0
189.09084	8.6
189.12805	5.4
191.06972	9.9
191.10693	5.5
193.08604	6.3
193.10185	12.2
194.10970	4.5
195.11725	20.0
196.12387	5.1
197.09584	14.7
197.13301	7.4
199.07555	7.7
199.11226	23.3
201.09105	6.5
201.12704	29.6
203.10605	7.9
205.08545	8.6
206.10944	9.9
207.11685	23.6
208.12460	5.2
209.09647	12.1
209.13280	16.2
211.11278	24.5
213.09062	18.0
213.12762	18.5
214.13104	7.2
215.10590	8.5
217.12173	8.3
218.10721	5.9
219.11668	12.2
220.12436	8.7
221.09793	5.8
221.13237	18.5
223.11200	12.1
223.14830	12.2
225.09009	8.3
225.12686	10.2
226.09561	4.3
227.10468	8.2
229.10222	7.4
229.12204	23.1
229.14365	18.8
230.10846	6.8
231.11710	13.0
231.13591	23.9
232.12407	7.7
233.09637	6.1
233.13205	15.8
233.15457	12.4
235.11186	10.3
235.14786	9.5
237.09113	5.1
237.12700	12.4
243.11624	13.8
243.13828	15.9
244.12408	15.9
245.13295	14.8
246.10309	6.1
246.13948	9.4
247.11157	7.6
247.14859	11.1
249.12727	11.3
251.10429	6.2
251.14346	14.2
253.12265	6.4
256.12381	7.8
257.13184	19.0
257.15720	5.1
258.13995	16.4
259.14767	15.5
260.15524	5.7
261.12598	6.5
261.14862	10.0
265.12256	6.1
267.11475	8.8
267.14017	5.5
268.12387	8.6
269.13150	13.8
270.14087	8.5
271.11212	6.2
271.14706	12.2
272.12131	5.1
272.15424	13.4
273.12808	10.7
273.16321	13.4
274.13348	5.2
275.14420	9.2
275.17490	5.1
277.12119	9.3
282.14008	5.6
283.14810	13.0
284.15692	6.2
285.12985	9.1
285.16141	8.3
286.13525	15.8
287.14236	6.6
287.17926	5.8
291.17514	5.4
295.13809	5.3
296.11880	6.4
297.16248	9.3
299.14203	7.6
299.18005	7.5
300.15045	9.9
301.12595	4.9
301.15839	20.0
303.13702	6.6
303.17078	7.2
304.14313	4.8
305.15067	6.6
310.13513	5.5
311.13992	5.7
313.11942	11.1
314.12842	5.9
315.13962	7.0
315.17294	19.3
317.15222	11.8
317.18799	5.2
319.16916	18.1
325.15823	14.5
328.14435	5.6
329.15280	40.4
331.16858	17.1
333.18460	9.6
343.13199	6.6
343.16934	35.9
345.14694	7.3
345.18497	11.1
347.16440	53.4
349.14301	17.8
349.18033	11.0
353.15189	7.9
357.14929	6.8
361.18008	53.5
363.15787	16.4
365.17535	19.6
371.16458	32.3
373.18164	6.0
375.15570	8.7
375.19699	9.1
379.19025	15.1
383.24362	14.1
385.17880	6.0
389.17548	70.0
393.20526	12.4
399.15915	10.0
403.19000	42.9
404.19312	7.2
405.20807	9.5
407.18570	36.7
417.16861	18.0
421.20163	97.5
422.20117	5.3
423.17282	6.7
423.22147	8.2
431.18350	15.8
435.17755	29.7
439.21191	54.2
449.19638	65.6
453.18958	8.7
457.22235	10.3
467.20621	74.0
485.21832	38.7
527.22620	7.7
545.23981	23.8
571.23541	5.2
589.24219	28.9
631.27557	5.0
649.26703	6.7
684.33295	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	684.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
53.21467	0.7
54.16645	0.8
55.01875	3.5
55.05511	5.0
56.05856	2.1
57.03448	1.1
58.12366	0.9
61.02937	2.0
68.99776	1.6
69.03436	10.4
71.05006	2.0
73.02931	2.2
79.05506	2.8
81.03424	17.6
81.07069	1.6
82.06613	2.0
83.04995	1.0
83.08641	3.3
84.08957	1.2
85.02909	24.3
87.00833	8.5
91.04021	0.9
91.05511	2.6
95.05000	1.5
97.02898	12.5
99.04479	4.7
100.07632	1.5
100.11265	19.0
101.07967	0.9
101.10967	2.2
101.11575	10.1
102.04732	1.0
102.11930	1.7
103.05470	2.3
105.01855	6.2
105.07052	1.3
107.04981	8.3
108.04488	2.3
109.02881	8.7
109.06538	0.9
111.04500	2.2
112.04833	1.2
115.05431	5.0
116.37537	0.8
117.07034	12.5
123.04459	2.2
124.05271	1.8
126.05511	1.6
127.03928	19.8
127.04792	1.2
128.07120	1.9
129.01801	1.7
129.07185	1.6
131.04961	1.1
131.08607	2.7
133.06499	1.4
137.05959	1.1
141.07066	1.3
144.05727	2.4
145.05006	10.8
145.06519	26.7
147.02954	1.0
147.08121	1.1
149.05927	0.8
150.65567	1.0
152.04741	1.1
153.05556	0.9
155.06082	3.7
156.05701	5.4
156.06868	0.9
157.06522	2.1
159.02927	8.2
159.08035	5.5
161.05939	1.5
167.07051	44.4
169.06473	1.0
173.06000	54.8
175.07614	1.9
181.05032	1.2
181.08670	1.0
182.15375	4.4
183.15816	6.2
184.05191	1.9
184.16132	1.8
187.07501	4.8
190.06262	29.2
193.08589	2.1
202.06313	3.1
203.07057	6.7
205.08612	100.0
208.05496	0.9
209.16570	2.7
210.14957	3.2
210.16907	4.6
211.15276	4.6
211.17204	2.3
212.15472	4.4
213.03931	1.0
213.15654	1.2
215.07166	1.2
217.08614	37.0
219.08226	1.6
219.10143	5.0
223.09764	2.6
226.19283	1.0
228.10808	1.1
231.04956	4.2
231.10204	1.5
235.09651	36.7
247.09689	9.1
248.08008	2.6
249.11374	1.6
263.10852	1.6
265.10745	57.4
269.08096	1.5
271.09702	1.7
275.06851	1.0
279.10370	2.2
291.10257	2.1
299.08945	1.4
307.09784	1.3
313.65033	0.9
315.08612	6.3
319.09708	1.2
323.12915	2.9
328.28677	1.1
330.10950	14.4
331.11737	5.1
336.10089	1.0
337.10803	1.2
342.24313	0.9
343.11908	1.4
345.31564	1.1
351.12540	3.9
351.24588	3.1
351.74545	1.1
352.13092	1.1
369.13599	3.2
371.14972	5.0
383.14981	17.3
401.15985	26.7
401.20840	1.7
640.51825	1.0
661.31561	0.9
665.51630	3.6
683.52332	46.8
684.52332	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	683.4497
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
55.05513	0.7
56.47745	0.5
57.03434	0.6
57.07078	0.8
67.05517	4.5
69.07066	0.9
71.05014	0.7
79.05484	3.1
79.14110	0.4
81.03408	0.5
81.07057	4.4
82.72862	0.5
83.04998	0.5
91.05483	2.2
93.07063	3.3
95.08616	3.1
95.65875	0.5
97.06550	0.6
105.07047	1.7
107.08595	1.4
109.10207	0.8
117.07020	0.6
119.08610	1.4
121.10165	1.7
131.08578	0.8
133.10155	0.7
135.11725	0.8
140.98531	0.5
145.10197	0.6
147.11725	0.9
149.13295	0.9
289.17853	0.9
317.20908	1.5
333.20529	5.0
359.02869	0.6
373.23782	1.0
389.23035	1.3
598.87073	0.5
639.42377	3.8
683.44989	100.0
684.45441	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	684.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
53.21467	0.7
54.16645	0.8
55.01875	3.5
55.05511	5.0
56.05856	2.1
57.03448	1.1
58.12366	0.9
61.02937	2.0
68.99776	1.6
69.03436	10.4
71.05006	2.0
73.02931	2.2
79.05506	2.8
81.03424	17.6
81.07069	1.6
82.06613	2.0
83.04995	1.0
83.08641	3.3
84.08957	1.2
85.02909	24.3
87.00833	8.5
91.04021	0.9
91.05511	2.6
95.05000	1.5
97.02898	12.5
99.04479	4.7
100.07632	1.5
100.11265	19.0
101.07967	0.9
101.10967	2.2
101.11575	10.1
102.04732	1.0
102.11930	1.7
103.05470	2.3
105.01855	6.2
105.07052	1.3
107.04981	8.3
108.04488	2.3
109.02881	8.7
109.06538	0.9
111.04500	2.2
112.04833	1.2
115.05431	5.0
116.37537	0.8
117.07034	12.5
123.04459	2.2
124.05271	1.8
126.05511	1.6
127.03928	19.8
127.04792	1.2
128.07120	1.9
129.01801	1.7
129.07185	1.6
131.04961	1.1
131.08607	2.7
133.06499	1.4
137.05959	1.1
141.07066	1.3
144.05727	2.4
145.05006	10.8
145.06519	26.7
147.02954	1.0
147.08121	1.1
149.05927	0.8
150.65567	1.0
152.04741	1.1
153.05556	0.9
155.06082	3.7
156.05701	5.4
156.06868	0.9
157.06522	2.1
159.02927	8.2
159.08035	5.5
161.05939	1.5
167.07051	44.4
169.06473	1.0
173.06000	54.8
175.07614	1.9
181.05032	1.2
181.08670	1.0
182.15375	4.4
183.15816	6.2
184.05191	1.9
184.16132	1.8
187.07501	4.8
190.06262	29.2
193.08589	2.1
202.06313	3.1
203.07057	6.7
205.08612	100.0
208.05496	0.9
209.16570	2.7
210.14957	3.2
210.16907	4.6
211.15276	4.6
211.17204	2.3
212.15472	4.4
213.03931	1.0
213.15654	1.2
215.07166	1.2
217.08614	37.0
219.08226	1.6
219.10143	5.0
223.09764	2.6
226.19283	1.0
228.10808	1.1
231.04956	4.2
231.10204	1.5
235.09651	36.7
247.09689	9.1
248.08008	2.6
249.11374	1.6
263.10852	1.6
265.10745	57.4
269.08096	1.5
271.09702	1.7
275.06851	1.0
279.10370	2.2
291.10257	2.1
299.08945	1.4
307.09784	1.3
313.65033	0.9
315.08612	6.3
319.09708	1.2
323.12915	2.9
328.28677	1.1
330.10950	14.4
331.11737	5.1
336.10089	1.0
337.10803	1.2
342.24313	0.9
343.11908	1.4
345.31564	1.1
351.12540	3.9
351.24588	3.1
351.74545	1.1
352.13092	1.1
369.13599	3.2
371.14972	5.0
383.14981	17.3
401.15985	26.7
401.20840	1.7
640.51825	1.0
661.31561	0.9
665.51630	3.6
683.52332	46.8
684.52332	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	683.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.1
57.07072	4.0
67.05505	8.2
67.11371	1.7
69.07072	4.5
72.08086	1.6
78.45145	1.5
79.05493	5.2
81.07065	6.7
83.08636	5.1
85.10188	2.7
88.88174	1.9
91.05463	4.3
93.07060	4.8
94.12229	1.7
95.08613	6.3
97.10133	2.2
105.07057	5.1
107.08607	4.1
109.10152	4.3
117.07033	2.2
119.08606	4.4
121.10181	2.8
133.10110	3.0
134.99500	1.7
135.11768	3.0
145.10135	2.5
179.14323	1.8
311.25824	2.5
338.73907	1.8
505.38831	3.4
571.47327	6.6
651.27979	2.8
683.43042	100.0
684.43231	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	683.4491
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
54.71101	0.8
55.05519	1.8
67.05511	3.4
69.07073	2.3
71.55191	1.1
78.88992	0.9
79.05501	3.0
81.07056	4.1
91.05460	1.8
93.07033	2.5
93.33073	0.8
95.08624	2.5
105.07069	1.4
109.10181	1.3
116.03234	0.9
119.08612	1.2
121.10174	2.2
135.11739	0.9
159.11740	1.0
258.15036	1.0
317.20868	1.9
333.20584	1.9
340.52594	0.9
351.25253	1.0
389.23227	1.0
456.00717	0.9
478.61389	1.1
651.27423	1.0
683.44940	100.0
684.45428	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	683.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01868	3.1
55.05511	52.4
57.07059	1.7
57.34476	1.6
63.64824	1.7
67.05505	9.2
69.03414	4.5
69.07059	5.2
69.27427	9.9
69.27847	5.6
71.04987	2.1
72.08147	5.0
72.35046	1.6
73.78175	1.6
79.05479	10.1
81.03418	2.3
81.07057	7.9
83.04979	70.7
84.05299	2.3
85.02898	4.7
87.67882	1.9
91.05484	11.6
93.07047	12.4
95.04955	8.4
95.08616	7.5
97.02887	2.7
97.06534	5.8
103.05429	5.4
105.03425	1.6
105.07028	19.5
107.05000	2.1
107.08590	10.3
109.06507	5.9
109.10133	4.5
111.04413	1.8
114.72768	1.5
115.05442	3.2
116.06273	1.7
117.07017	6.6
119.05044	1.5
119.08591	20.9
121.06494	5.0
121.10112	6.0
123.08015	2.3
128.06213	4.1
129.06992	8.7
131.04947	12.5
131.08562	10.2
133.06494	4.3
133.10136	8.0
135.08043	3.8
141.06982	3.4
142.07774	8.6
143.08559	10.8
145.06480	6.4
145.10094	9.6
147.08046	6.0
147.11679	3.4
149.05952	2.2
149.09601	6.9
153.07002	3.0
154.07747	2.4
155.08566	6.5
156.09352	7.3
157.06435	3.7
157.10132	17.2
159.08054	5.9
159.11700	4.4
161.09622	6.6
165.07002	4.3
167.08556	7.3
168.09283	2.2
169.10156	16.1
170.10855	3.5
171.08017	5.1
171.11708	21.8
172.08871	1.9
173.09605	5.2
173.13182	1.8
175.07472	2.4
175.11165	3.0
178.07802	2.9
179.08539	4.5
180.09309	4.5
181.10130	8.5
182.10747	1.7
183.08055	3.5
183.11702	15.0
185.09657	4.2
185.13222	4.8
187.11157	4.4
187.54655	1.7
192.09279	4.8
193.10164	9.6
194.10909	5.6
195.08037	2.2
195.11687	10.5
196.08818	2.5
197.09639	7.8
197.13321	6.1
199.11191	18.2
203.08492	2.6
204.09367	2.3
205.10088	4.3
206.10826	8.2
207.11691	15.6
208.12459	4.9
209.09618	4.4
209.13284	8.0
210.10306	2.1
211.11157	4.9
211.14885	2.4
213.12743	8.1
215.08559	2.3
215.10512	2.2
217.10143	4.5
217.12216	3.4
218.10925	4.0
219.11684	11.4
220.12466	6.9
221.09735	4.0
221.13228	15.2
222.10461	3.8
222.14018	2.8
223.11273	8.4
223.14786	8.4
224.12010	2.8
225.09146	2.2
225.12701	5.1
229.10078	5.2
229.12158	2.5
230.10869	5.0
231.11673	9.0
231.13751	3.4
232.12469	7.0
233.09727	2.5
233.13197	12.3
234.10452	2.6
234.13950	3.6
235.11133	4.9
235.14804	10.8
236.11913	2.2
237.12718	6.3
237.16376	4.4
238.13539	2.4
239.14287	5.1
242.10966	2.6
243.11761	9.0
244.12494	6.3
245.13231	10.9
245.15405	3.8
246.13956	8.2
247.11015	3.0
247.14848	12.4
248.12006	2.5
248.15430	1.9
249.12784	5.8
249.16318	4.2
250.13487	2.3
251.14272	7.0
253.15781	1.6
256.12506	2.9
257.13263	5.4
258.13992	6.9
259.11243	2.2
259.14777	7.6
260.11874	2.1
260.15558	5.6
261.12726	6.1
261.16409	10.1
263.14362	10.4
264.15121	2.3
265.15921	11.0
267.11597	1.9
269.13062	4.0
270.13812	3.0
271.14734	6.2
272.15576	5.4
273.12643	2.1
273.16238	2.2
274.13385	1.9
274.16934	1.9
275.14255	5.2
275.17899	9.3
277.15857	3.6
277.19489	5.0
279.17429	2.9
281.13193	2.8
283.17062	2.4
284.15466	2.5
285.16266	5.1
286.16919	4.2
287.14386	4.2
287.17889	8.5
288.15048	2.1
289.15903	4.2
289.19214	2.1
291.13907	2.2
291.17297	3.4
293.18823	2.0
299.17816	2.6
301.15854	3.9
301.19312	2.5
303.17438	8.7
305.15604	2.7
305.18988	9.1
307.13342	4.2
309.14850	2.1
313.19531	2.5
317.18903	3.8
319.16977	2.2
319.20529	2.8
321.18323	2.0
323.16324	5.4
323.20016	4.0
327.17368	2.1
329.19043	3.5
331.16940	1.9
331.20596	5.1
333.18430	2.6
345.14716	2.4
345.18436	3.1
347.16379	4.8
347.20001	6.4
351.15726	2.8
357.18411	3.5
359.16055	2.2
359.20020	4.4
361.17804	3.7
361.21671	4.4
363.15808	11.3
363.19589	3.1
365.21185	2.4
375.15680	2.4
375.19611	17.3
377.17004	2.2
377.21146	20.4
379.19046	10.6
381.20581	2.2
387.19482	17.3
393.20508	5.6
395.22177	4.3
405.20596	100.0
406.20886	2.2
423.21695	73.2
465.22339	4.4
483.23599	11.7
505.25851	4.6
523.26752	3.6
665.35223	2.0
683.27338	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	683.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.0
53.03941	3.9
55.01870	6.2
55.05515	17.2
63.64581	0.8
67.05500	1.5
69.03441	2.0
69.45766	4.9
69.46177	1.7
79.05485	7.7
81.03419	8.3
81.07053	1.6
82.58951	0.8
83.04984	31.0
91.05480	10.8
93.07037	2.7
95.04959	6.1
95.08611	1.0
98.20721	1.6
100.08405	0.9
101.39266	0.8
102.04700	1.2
103.05473	68.9
105.04504	1.2
105.07013	5.8
107.04948	7.1
107.08603	1.7
108.04439	1.1
109.06497	2.5
115.05408	1.9
116.06252	1.5
117.07040	4.2
119.04945	0.9
119.08590	13.0
121.06503	1.8
121.10133	1.3
128.06241	2.5
129.07011	10.0
131.04932	100.0
131.08578	8.3
133.06487	2.4
133.10135	3.3
135.08047	2.1
141.07014	2.6
142.07774	2.0
143.08598	5.9
143.09528	1.0
144.09389	1.2
145.06480	6.3
145.10159	4.0
147.08052	30.5
149.09621	12.1
155.08540	1.8
156.09380	2.2
157.10117	12.9
158.07349	0.9
158.10748	1.2
159.06837	1.8
159.08070	23.2
159.11688	15.8
161.09613	13.7
161.38588	1.0
163.07491	1.0
167.08542	1.4
168.09454	1.2
169.10115	8.3
170.10941	0.9
171.08064	2.1
171.11678	10.3
173.06035	1.3
173.09639	3.9
173.13295	4.8
175.07538	10.3
175.11009	1.1
179.08586	2.0
181.10071	2.3
183.08025	1.4
183.11729	9.6
185.09657	3.0
185.13257	2.9
187.11185	4.6
189.09125	1.5
191.10527	1.4
193.10120	1.9
195.11745	2.5
197.09555	4.6
197.13275	2.2
198.43744	0.9
199.11203	4.0
201.09198	1.7
201.12735	3.4
206.10867	1.3
207.11649	2.7
208.12474	1.1
209.09700	2.0
209.13248	1.8
211.11185	3.0
212.11971	0.9
215.10660	3.5
217.12251	2.4
220.12344	1.6
221.13266	3.0
223.11250	2.0
223.14771	1.9
225.12701	5.9
227.10712	1.4
229.12183	6.0
231.11885	1.1
233.13312	1.5
233.15396	4.9
235.14882	1.9
237.12733	1.6
239.14409	1.5
241.12259	1.4
243.13847	3.5
245.15437	1.7
247.11229	1.4
247.14977	1.8
249.12782	2.1
251.14326	1.6
258.10446	1.3
259.11099	1.2
260.11972	1.1
261.14960	3.6
263.14322	2.2
265.15961	1.1
267.13763	1.1
271.14893	1.0
273.12595	1.3
275.14481	1.4
285.12863	1.4
287.14383	1.2
289.15924	1.2
291.13712	1.0
291.17300	1.4
293.15408	1.1
297.16296	1.0
299.14319	2.4
300.15063	1.8
301.16177	1.3
305.18896	1.7
315.17349	7.4
317.15326	1.5
317.18948	1.0
319.16895	1.2
329.18985	3.3
331.16928	1.2
333.18329	7.0
343.16943	3.3
347.20081	5.4
357.18582	4.8
361.17966	1.8
375.19632	9.8
379.22772	1.4
385.18164	2.4
389.20953	8.0
391.23022	1.5
403.18869	5.2
405.20453	1.5
407.22162	19.1
417.20593	11.0
435.21704	16.3
535.26636	1.6
558.20300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.1
55.01878	12.1
55.05266	2.6
55.05513	37.9
61.99984	2.2
67.05508	3.1
69.03420	4.1
69.62653	11.8
79.05492	18.8
81.01987	2.2
81.03415	18.8
81.07038	4.0
83.04982	78.4
84.42148	1.9
91.05485	28.4
93.07018	4.2
95.04941	8.5
95.08627	3.3
98.20800	2.4
103.05471	53.8
105.07051	11.6
107.04958	18.3
107.08575	3.7
109.06537	4.1
115.05427	4.8
117.07016	11.1
119.08597	29.2
121.06539	2.6
128.06186	4.2
129.07016	21.2
131.04932	100.0
131.08583	22.8
133.06468	5.9
133.10110	6.6
135.08075	3.7
141.07056	4.2
142.07770	6.0
143.08531	8.6
144.05690	2.4
144.09337	2.6
145.06494	15.2
145.10124	10.6
147.08046	82.9
149.09633	33.8
153.06996	2.2
155.08559	3.4
156.09311	4.4
157.06494	3.0
157.10123	28.0
159.08061	41.7
159.11682	34.5
161.09605	37.4
167.08484	2.5
169.10106	20.6
170.10887	2.2
171.07971	4.5
171.11719	26.9
173.06000	4.1
173.09607	14.0
173.13310	11.7
175.07532	19.8
175.11060	2.7
177.09129	3.9
180.81010	2.6
181.10043	5.4
183.11699	24.1
185.09618	7.3
185.13217	5.9
187.11203	12.1
189.09122	2.3
191.10672	3.0
193.10197	5.5
195.08096	2.5
195.11749	4.3
197.09615	8.9
197.13237	7.4
199.11169	10.0
201.09039	3.0
201.12784	8.0
206.10971	3.1
207.11676	5.7
209.09590	4.7
209.13264	5.4
211.11162	7.4
211.14746	4.3
215.08743	2.9
215.10649	9.2
217.12132	2.9
219.11615	2.6
221.13286	7.7
223.11203	3.3
223.14857	2.7
225.12764	12.2
226.13734	2.5
227.10695	2.4
229.12233	13.2
231.11736	3.9
231.13805	4.7
233.15359	7.5
235.11086	2.9
236.12035	2.4
237.12775	3.8
239.14197	5.1
241.10020	3.2
241.12233	2.7
243.13806	7.3
247.14891	3.3
248.11871	2.9
249.12646	5.0
251.14389	3.7
256.12415	2.3
259.11099	3.1
261.12411	3.3
261.14844	6.9
263.14157	5.3
265.15958	2.9
267.13937	2.8
273.12738	2.4
281.15561	2.5
285.12555	4.1
287.14447	4.0
287.17755	2.8
289.15640	6.1
299.14029	2.9
301.15985	4.3
305.18942	4.3
315.17358	17.4
317.15298	5.4
325.15741	2.8
329.19012	6.6
331.16873	3.6
333.18539	17.9
343.16904	7.3
347.19952	8.8
357.18521	11.6
361.18039	5.2
375.19620	20.2
385.17761	6.3
389.21219	11.3
403.19113	12.4
405.20743	3.5
407.22162	46.6
417.20654	31.0
435.21655	32.9
494.43823	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	683.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.9
53.03943	2.8
55.01872	6.0
55.05511	5.7
67.05493	1.9
69.03419	1.0
69.07046	0.9
72.08147	0.9
77.03939	1.5
79.05499	8.0
81.02982	0.7
81.03419	8.9
81.07059	2.7
81.39896	0.5
83.04983	13.2
91.05490	9.4
93.07057	2.7
95.01311	0.6
95.04968	5.7
95.08599	1.6
98.21447	1.1
100.07697	0.5
103.05472	48.3
105.00122	0.5
105.04523	1.1
105.07040	6.1
107.04956	7.8
107.08607	1.4
109.06544	1.6
109.10193	0.7
115.05433	2.6
116.06261	1.0
117.07034	4.9
119.04974	0.7
119.08587	12.3
121.06529	1.6
121.10172	0.8
128.06235	1.6
129.07004	8.6
130.07770	0.7
131.04936	100.0
131.08572	7.2
132.05734	0.9
133.06496	1.5
133.10110	4.2
135.08075	1.2
141.06996	1.7
142.07796	1.7
143.08545	5.1
144.08069	0.5
144.09354	0.7
145.06493	5.9
145.10139	3.8
145.71504	0.5
147.08058	27.2
149.06029	1.3
149.09634	12.9
153.06924	0.6
154.07834	1.0
155.08565	2.5
156.09363	2.5
157.06531	0.7
157.10139	9.9
158.10999	0.9
159.08064	15.3
159.11699	14.1
159.13011	0.7
161.06032	0.6
161.09631	12.4
163.07605	0.5
165.06979	1.1
167.08598	1.0
168.09363	0.7
169.06448	0.7
169.10129	7.0
171.08090	2.0
171.11714	8.0
172.08862	0.7
173.06009	1.4
173.09645	4.7
173.13242	4.8
175.07556	8.2
175.11163	0.6
179.08536	0.9
180.09361	0.8
181.10181	1.5
182.07365	0.7
182.10869	1.0
183.08125	0.7
183.11708	6.9
185.09700	2.4
185.13287	1.7
187.07463	0.9
187.11232	3.4
189.09167	1.2
191.10655	1.1
192.09280	0.6
193.10172	1.7
195.08066	0.7
195.11731	1.8
197.09570	3.9
197.13326	2.8
199.11208	3.3
199.14845	1.0
201.09189	0.8
201.12764	2.8
203.10558	0.6
206.10823	0.8
207.11700	2.6
209.09631	1.7
209.13309	1.4
210.10333	0.9
211.11209	2.0
211.14906	1.3
213.09181	1.0
213.12750	2.1
215.10675	2.5
217.10245	1.2
217.12196	1.9
218.10883	0.7
219.11728	1.7
220.12498	0.9
221.09819	0.8
221.13260	2.7
223.11203	2.9
223.14854	2.0
225.09148	0.8
225.12701	4.4
227.10666	1.6
227.14360	0.7
229.12244	4.3
231.11708	1.0
231.13809	1.2
232.12447	0.8
233.09631	0.9
233.13448	1.1
233.15384	3.4
235.11212	1.0
235.14937	1.2
237.12776	1.9
239.14357	1.6
241.12173	0.6
243.11662	0.7
243.13837	1.9
244.12488	0.6
245.09500	0.7
247.11319	1.0
247.14922	1.5
249.12801	1.8
251.14301	1.1
256.12518	0.6
257.13312	0.8
257.15518	1.2
258.14090	0.9
259.14813	0.8
261.12552	0.9
261.14780	3.3
263.14328	2.0
265.15921	1.2
270.13879	0.7
271.14804	0.6
272.12140	0.9
272.15610	1.2
273.12738	1.1
274.13565	0.8
275.14362	1.6
276.15085	0.7
277.12222	0.8
277.15915	0.8
285.12677	1.0
287.14389	1.5
287.17709	1.1
289.15781	1.8
291.14041	0.7
291.17377	1.1
297.12564	0.7
299.14151	0.9
300.15057	1.3
301.15976	1.4
303.13870	0.8
305.19040	1.6
313.15771	1.2
315.17361	5.8
317.15378	1.5
319.20566	0.8
329.15472	0.8
329.18927	2.5
331.16910	2.1
333.18509	6.5
343.16998	3.6
347.20056	4.5
349.17813	0.8
357.18393	4.1
361.17938	2.2
373.17874	0.6
375.19583	9.5
379.22534	1.5
385.18188	2.6
389.21103	6.1
391.18939	1.2
403.19128	4.3
405.20792	1.5
407.22162	19.0
417.20648	12.3
427.52484	0.5
435.21695	13.7
583.26984	1.1
683.27264	1.2
683.38257	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73716	0.3
55.05510	0.9
57.07079	0.3
59.08279	0.3
67.05508	1.7
69.07049	0.7
71.01192	0.7
73.23191	0.3
79.05500	0.9
81.07068	1.4
83.05025	0.3
83.08646	0.5
91.05482	0.5
93.07049	1.1
95.08612	0.8
97.10201	0.5
105.07057	0.7
107.08605	0.6
109.10166	0.4
110.10506	0.3
118.06564	0.9
119.08601	0.5
121.10166	0.7
132.08069	0.3
133.10123	0.4
137.81372	0.3
144.08058	0.5
147.11729	0.4
149.09732	0.3
162.05540	0.4
167.07286	0.3
180.08212	0.3
181.07520	0.3
181.08942	0.4
182.09758	0.4
188.94060	0.3
194.08299	0.5
194.09877	0.4
195.09137	1.5
196.09985	1.2
197.10716	1.4
207.09245	0.9
208.09969	1.0
209.07097	0.4
209.10738	2.4
210.11432	2.0
211.12285	1.7
212.13138	1.2
219.09387	0.4
221.07187	0.5
221.10777	1.1
222.11575	0.7
223.08736	1.3
223.12323	5.1
224.09476	2.3
224.13058	2.3
225.10509	1.5
225.13863	8.3
226.14651	1.9
227.15454	1.1
235.08769	1.3
236.05647	0.5
236.09500	0.9
237.06680	0.7
237.10219	1.7
237.14021	0.4
238.11046	0.7
239.08176	0.7
239.11838	0.6
249.06548	0.4
249.10323	0.4
250.07417	0.5
250.11105	0.6
251.08110	0.6
251.11810	4.5
252.08986	0.4
252.12636	1.6
253.13373	4.2
255.07777	0.5
255.11369	0.7
256.12039	0.9
263.08258	1.2
264.09003	0.3
265.06171	2.1
265.09671	0.9
267.07684	0.4
267.11438	0.4
269.12811	3.1
270.13678	0.6
277.06284	0.5
279.11429	2.1
281.09286	0.7
283.07263	0.9
291.07718	1.0
295.07327	0.5
295.10672	0.5
297.08951	0.5
297.12515	1.1
309.08755	0.7
311.14008	0.5
323.06735	2.0
325.11935	0.6
338.09064	0.4
340.14676	0.4
341.07709	2.1
351.09689	2.0
352.14362	0.5
362.12515	0.4
366.16232	0.6
368.14008	0.6
369.11026	0.9
382.15646	0.4
388.16574	0.4
392.13916	0.5
397.10327	0.4
400.16757	0.6
403.15253	0.4
417.17029	0.4
419.18719	0.7
424.16751	0.7
425.17105	0.4
426.14395	0.4
429.16763	0.5
441.16849	0.4
444.19986	0.5
445.20605	0.4
446.17554	0.6
452.16537	0.8
459.17520	0.4
459.22766	0.5
461.19769	1.7
462.20459	1.0
470.16812	0.4
471.18219	0.5
472.20480	0.4
473.19806	0.9
474.20776	0.5
475.21719	0.6
477.22934	2.9
484.18863	2.8
485.19879	0.5
489.19107	1.0
489.23492	0.4
490.19928	0.4
499.21515	0.6
501.19473	0.8
502.20197	0.6
503.20840	0.7
504.22205	0.5
505.22198	0.6
516.22009	0.5
517.22211	1.7
519.20380	0.4
521.21930	0.5
529.18323	0.4
531.23853	1.0
533.21869	1.2
545.22205	0.4
547.20593	0.6
548.24817	0.7
549.21295	0.4
551.20935	0.4
559.23694	1.9
561.21588	1.3
563.26746	0.6
576.23920	2.2
591.26105	12.8
592.26221	0.6
604.23462	0.5
606.28131	0.5
619.25562	2.9
623.26965	0.4
651.28149	100.0
652.28333	3.8
683.29077	2.8
683.44293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29140	1.0
54.71907	1.1
55.05516	1.6
67.05491	3.3
69.07069	1.8
74.09756	0.9
79.05508	2.4
81.07054	3.8
91.00822	1.3
91.05468	1.1
93.07075	3.1
95.08643	2.6
105.07082	1.4
107.08580	1.7
109.10163	1.6
119.08598	1.4
121.10138	1.6
131.08585	1.1
134.06030	2.4
178.05048	2.7
213.66313	1.1
217.83055	1.2
239.08337	1.1
249.10402	1.4
251.08270	2.7
251.11589	1.1
328.14020	1.1
431.18405	1.6
445.20181	2.5
471.18686	1.2
473.19830	5.6
475.21399	1.6
501.23431	2.4
517.19757	1.6
533.21643	7.9
545.22028	2.5
559.24054	1.4
560.24365	9.0
561.25159	3.9
591.26282	9.5
620.26135	7.4
651.28156	100.0
652.28729	3.3
683.45013	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	683.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.9
67.03875	0.6
67.05498	2.4
69.07053	1.4
71.56862	0.8
79.05499	2.2
81.07041	1.3
91.05489	1.3
93.07057	2.3
94.06544	0.6
95.04977	0.8
95.08606	1.4
105.07020	0.9
107.08577	0.8
109.10214	0.6
117.04718	0.6
117.07022	0.6
120.50767	0.5
131.08533	0.6
132.04466	0.7
134.06032	2.4
138.48370	0.6
157.08884	0.6
159.11699	0.8
178.05034	1.7
180.76389	0.6
204.06659	0.8
221.10701	0.7
222.11505	0.7
223.08679	1.6
223.12329	1.0
235.08688	0.9
235.12308	0.9
237.10181	1.3
239.11920	0.7
249.10275	1.7
251.08170	1.7
251.11787	0.7
252.34583	0.6
253.13550	0.6
277.09821	0.7
313.12491	0.8
314.12973	0.9
326.13028	0.9
337.11871	0.7
340.10928	0.7
340.14670	1.4
355.13470	0.8
369.14529	1.0
379.62604	0.7
384.13538	1.7
415.15521	1.9
416.16537	1.9
417.16962	1.0
428.16412	0.7
429.17258	2.1
430.17950	2.2
442.17880	0.9
443.19040	1.3
445.20853	3.3
457.20520	1.3
469.16638	0.8
473.19235	5.1
474.20474	1.1
484.18701	0.8
485.20139	0.9
487.21509	3.3
499.21347	0.9
500.22305	0.7
501.18710	1.9
501.23334	2.1
502.19498	0.9
503.20380	1.6
505.22519	0.9
515.20557	1.0
517.22113	2.3
528.21655	1.1
529.39349	0.8
531.23694	0.7
533.21729	10.1
535.23193	0.9
545.21997	2.0
559.23438	2.1
560.24207	17.6
561.24841	4.3
577.24646	1.2
588.23419	0.9
591.25970	11.0
619.25781	2.6
620.26221	8.1
621.26837	2.1
651.28113	100.0
652.28345	2.6
683.44690	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	683.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01878	1.6
55.05512	65.3
57.07046	1.9
67.05490	3.9
69.03413	2.5
69.07071	1.8
71.55928	1.3
79.05498	6.6
81.03406	2.5
81.07048	3.9
83.04982	100.0
84.05293	2.1
91.05479	10.4
93.07027	6.0
95.04945	4.1
95.08607	2.5
97.06519	1.6
103.05476	10.6
105.03397	4.3
105.07037	17.6
107.08589	5.3
109.06503	2.7
109.10135	2.0
112.57174	1.4
115.05429	4.1
117.07006	10.1
119.08583	12.7
119.76579	1.1
121.10137	3.2
123.08097	1.6
125.02348	1.9
128.06155	1.8
129.07019	4.3
131.04922	18.8
131.08583	8.5
133.06494	10.7
133.10114	5.8
135.08072	5.3
141.07004	3.0
142.07771	4.2
143.08569	10.5
145.06497	9.7
145.10114	5.9
147.08063	6.6
149.05986	3.0
149.09634	7.5
154.07808	1.6
155.08554	5.1
156.09398	6.2
157.06505	2.9
157.10147	21.3
159.08046	5.9
159.11682	9.7
161.05951	16.0
161.09625	5.0
163.07521	6.7
165.09137	1.8
167.08562	2.8
169.10101	10.6
170.10927	4.3
171.08051	2.9
171.11691	25.3
173.06000	4.3
173.09598	4.2
173.13249	2.4
175.07571	6.9
177.09114	3.1
179.07019	2.1
179.08493	3.2
180.09325	1.5
181.10083	3.2
182.10886	2.3
183.08112	4.0
183.11661	16.2
184.11980	1.7
185.09633	7.1
185.13324	6.2
187.07495	2.7
187.11165	4.7
189.05446	9.3
189.09123	2.3
191.10555	1.4
193.10066	3.7
195.08127	1.5
195.11688	5.6
197.09543	4.4
197.13234	3.5
199.07544	1.6
199.11232	11.5
201.09105	2.3
205.08496	2.4
206.10866	1.8
207.11676	4.7
208.12498	2.9
209.09605	2.4
209.13287	3.9
211.07402	1.6
211.11244	4.3
213.09091	3.7
213.12788	10.5
215.10722	3.2
217.10201	1.7
217.12027	2.6
218.10890	1.7
219.11729	2.5
220.12349	1.4
221.13336	3.4
223.11108	3.5
225.12778	1.6
227.10602	2.9
229.08447	1.5
229.12241	7.1
230.10962	2.0
231.11842	2.1
231.13753	7.8
232.12308	2.3
233.13284	2.4
233.15280	1.9
234.13947	2.3
235.11194	2.1
236.15730	1.5
237.12762	1.9
241.12259	1.7
242.10916	1.5
243.11852	3.2
243.13881	2.0
244.12454	2.3
245.13318	2.9
246.13985	2.4
247.11063	3.0
247.14821	2.8
248.11792	1.5
249.12614	2.2
251.14217	2.4
252.22055	1.5
256.12476	2.7
257.13272	4.0
258.14029	2.7
259.13232	2.8
260.11594	1.9
261.12704	3.4
263.14264	3.6
267.11520	1.7
267.14017	1.7
268.12360	1.9
269.13174	2.8
270.14014	2.0
271.14792	2.9
272.15607	1.9
273.12384	1.7
273.15048	2.3
274.13489	1.9
275.14499	1.9
276.14914	1.3
281.13168	1.9
283.11203	1.7
283.14682	2.5
285.12726	3.5
285.16162	3.1
286.13519	1.7
287.14380	2.8
287.17706	3.0
289.15869	2.3
293.19067	1.7
299.14255	3.8
300.14819	2.1
301.12479	2.3
301.15915	3.9
302.12692	1.5
302.16479	1.3
303.13629	1.6
303.17209	2.3
313.15686	3.8
314.16559	1.8
315.13489	1.5
315.17215	2.9
317.15350	6.1
318.16104	1.8
327.13663	4.7
327.17307	1.5
329.15335	5.5
331.16837	5.5
335.16327	2.2
341.15207	4.9
343.16910	6.5
345.14816	10.0
347.16342	3.5
347.20270	2.2
349.17874	2.5
357.18381	5.1
359.16495	8.5
359.20175	1.7
361.17950	5.7
363.15924	3.0
371.16177	2.9
373.17871	3.9
375.19376	5.4
377.17355	5.1
385.17908	3.5
387.15817	5.8
389.17236	2.1
391.18900	4.6
401.17499	7.6
403.19034	9.3
405.16422	3.0
405.20953	2.6
407.18317	1.6
409.20166	3.0
415.15161	2.1
419.18460	17.1
421.20190	8.8
423.21252	1.6
433.16306	2.4
435.21469	3.8
437.19504	13.9
439.20847	1.4
447.17963	5.2
451.17346	2.8
465.18768	9.5
483.20294	2.7
551.22412	4.2
565.24176	2.9
583.25909	1.9
590.08838	1.5
683.23535	6.7
683.35803	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	683.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01878	1.6
55.05512	65.3
57.07046	1.9
67.05490	3.9
69.03413	2.5
69.07071	1.8
71.55928	1.3
79.05498	6.6
81.03406	2.5
81.07048	3.9
83.04982	100.0
84.05293	2.1
91.05479	10.4
93.07027	6.0
95.04945	4.1
95.08607	2.5
97.06519	1.6
103.05476	10.6
105.03397	4.3
105.07037	17.6
107.08589	5.3
109.06503	2.7
109.10135	2.0
112.57174	1.4
115.05429	4.1
117.07006	10.1
119.08583	12.7
119.76579	1.1
121.10137	3.2
123.08097	1.6
125.02348	1.9
128.06155	1.8
129.07019	4.3
131.04922	18.8
131.08583	8.5
133.06494	10.7
133.10114	5.8
135.08072	5.3
141.07004	3.0
142.07771	4.2
143.08569	10.5
145.06497	9.7
145.10114	5.9
147.08063	6.6
149.05986	3.0
149.09634	7.5
154.07808	1.6
155.08554	5.1
156.09398	6.2
157.06505	2.9
157.10147	21.3
159.08046	5.9
159.11682	9.7
161.05951	16.0
161.09625	5.0
163.07521	6.7
165.09137	1.8
167.08562	2.8
169.10101	10.6
170.10927	4.3
171.08051	2.9
171.11691	25.3
173.06000	4.3
173.09598	4.2
173.13249	2.4
175.07571	6.9
177.09114	3.1
179.07019	2.1
179.08493	3.2
180.09325	1.5
181.10083	3.2
182.10886	2.3
183.08112	4.0
183.11661	16.2
184.11980	1.7
185.09633	7.1
185.13324	6.2
187.07495	2.7
187.11165	4.7
189.05446	9.3
189.09123	2.3
191.10555	1.4
193.10066	3.7
195.08127	1.5
195.11688	5.6
197.09543	4.4
197.13234	3.5
199.07544	1.6
199.11232	11.5
201.09105	2.3
205.08496	2.4
206.10866	1.8
207.11676	4.7
208.12498	2.9
209.09605	2.4
209.13287	3.9
211.07402	1.6
211.11244	4.3
213.09091	3.7
213.12788	10.5
215.10722	3.2
217.10201	1.7
217.12027	2.6
218.10890	1.7
219.11729	2.5
220.12349	1.4
221.13336	3.4
223.11108	3.5
225.12778	1.6
227.10602	2.9
229.08447	1.5
229.12241	7.1
230.10962	2.0
231.11842	2.1
231.13753	7.8
232.12308	2.3
233.13284	2.4
233.15280	1.9
234.13947	2.3
235.11194	2.1
236.15730	1.5
237.12762	1.9
241.12259	1.7
242.10916	1.5
243.11852	3.2
243.13881	2.0
244.12454	2.3
245.13318	2.9
246.13985	2.4
247.11063	3.0
247.14821	2.8
248.11792	1.5
249.12614	2.2
251.14217	2.4
252.22055	1.5
256.12476	2.7
257.13272	4.0
258.14029	2.7
259.13232	2.8
260.11594	1.9
261.12704	3.4
263.14264	3.6
267.11520	1.7
267.14017	1.7
268.12360	1.9
269.13174	2.8
270.14014	2.0
271.14792	2.9
272.15607	1.9
273.12384	1.7
273.15048	2.3
274.13489	1.9
275.14499	1.9
276.14914	1.3
281.13168	1.9
283.11203	1.7
283.14682	2.5
285.12726	3.5
285.16162	3.1
286.13519	1.7
287.14380	2.8
287.17706	3.0
289.15869	2.3
293.19067	1.7
299.14255	3.8
300.14819	2.1
301.12479	2.3
301.15915	3.9
302.12692	1.5
302.16479	1.3
303.13629	1.6
303.17209	2.3
313.15686	3.8
314.16559	1.8
315.13489	1.5
315.17215	2.9
317.15350	6.1
318.16104	1.8
327.13663	4.7
327.17307	1.5
329.15335	5.5
331.16837	5.5
335.16327	2.2
341.15207	4.9
343.16910	6.5
345.14816	10.0
347.16342	3.5
347.20270	2.2
349.17874	2.5
357.18381	5.1
359.16495	8.5
359.20175	1.7
361.17950	5.7
363.15924	3.0
371.16177	2.9
373.17871	3.9
375.19376	5.4
377.17355	5.1
385.17908	3.5
387.15817	5.8
389.17236	2.1
391.18900	4.6
401.17499	7.6
403.19034	9.3
405.16422	3.0
405.20953	2.6
407.18317	1.6
409.20166	3.0
415.15161	2.1
419.18460	17.1
421.20190	8.8
423.21252	1.6
433.16306	2.4
435.21469	3.8
437.19504	13.9
439.20847	1.4
447.17963	5.2
451.17346	2.8
465.18768	9.5
483.20294	2.7
551.22412	4.2
565.24176	2.9
583.25909	1.9
590.08838	1.5
683.23535	6.7
683.35803	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	683.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01878	3.0
55.05267	3.8
55.05516	61.0
66.51300	2.7
67.05516	5.8
69.03432	15.9
69.07073	3.5
69.21758	11.0
69.22186	15.8
79.05489	9.3
81.07054	7.1
83.04989	100.0
84.05332	3.4
91.05498	25.1
93.07059	15.8
95.04948	10.1
95.08617	7.1
97.06498	3.2
98.21471	4.7
103.05475	20.5
105.03371	11.8
105.07040	32.4
107.08585	10.4
109.06561	5.1
109.10088	2.4
115.05444	9.2
117.07027	13.9
119.04958	7.8
119.08582	32.8
121.06497	6.1
121.10140	6.0
123.08066	4.0
123.11790	2.9
125.02382	4.2
128.06221	9.1
128.69597	2.9
129.07079	12.5
131.04942	31.0
131.08601	19.3
132.05261	5.7
133.06534	15.8
133.10147	29.1
135.08063	9.9
137.09584	3.0
141.07025	3.3
142.07750	10.0
143.08571	22.7
145.06554	13.0
145.07492	2.7
145.10110	15.2
147.08038	20.6
147.11731	4.7
149.05988	4.6
149.09627	8.3
153.06970	4.7
154.07846	3.7
155.08565	13.3
156.09393	15.3
157.06517	3.6
157.10127	28.3
159.04408	6.2
159.08075	14.5
159.11705	14.9
161.06021	23.5
161.09627	13.7
163.07542	3.8
165.06973	5.9
167.08554	6.9
168.09216	4.6
169.10153	22.8
170.10915	11.7
171.08054	12.3
171.11696	50.5
173.05954	5.2
173.09613	14.3
173.13246	5.0
175.07574	10.7
175.11176	5.7
177.05493	4.6
177.09125	8.6
178.07791	3.7
179.08537	5.9
180.09222	3.1
181.06473	3.8
181.10106	8.4
183.08041	4.8
183.11710	35.5
184.08740	5.1
185.09595	10.2
185.13274	32.2
187.07495	5.9
187.11145	11.7
187.14876	3.5
189.05479	6.9
189.09044	3.1
189.12791	3.0
191.10701	6.9
192.09276	4.5
193.08539	3.9
193.10147	5.4
194.10976	3.2
195.08121	7.6
195.11742	10.8
197.09659	11.1
197.13261	11.2
198.10368	6.7
199.07558	3.0
199.11191	26.8
200.11833	4.2
201.09070	5.2
201.12750	8.9
203.07022	5.2
203.10577	3.8
205.08481	3.7
205.10257	4.4
206.10762	3.0
207.11717	10.3
209.09639	6.1
209.13220	6.4
211.07588	3.9
211.11157	12.8
213.09218	6.1
213.12758	32.0
214.13136	3.6
215.08690	4.6
215.10690	9.9
215.14337	6.0
216.09361	4.1
217.12343	4.8
218.10716	3.5
219.11850	4.9
220.12393	6.5
221.09692	5.7
221.13254	13.9
222.13785	2.8
223.11206	7.1
224.11826	3.4
225.09158	4.0
225.12712	5.1
227.10619	7.3
228.09389	3.1
229.10291	4.7
229.12305	7.5
230.10831	4.5
231.11720	5.9
231.13765	23.8
232.12253	4.8
233.09692	4.7
233.13481	6.1
234.13882	4.4
235.11215	3.9
235.14801	7.9
237.09108	3.9
237.12708	3.7
239.10760	4.3
239.14236	3.8
241.12308	7.4
242.10907	4.0
243.11775	5.5
243.13892	4.3
244.12439	7.2
245.11577	6.8
245.15472	4.8
247.11215	6.8
247.15056	5.7
249.12801	6.1
254.10793	3.9
255.11743	5.0
256.12390	4.8
257.13452	7.6
258.14096	5.4
259.13431	12.3
260.15472	5.0
261.12698	3.5
263.14215	5.4
265.12170	4.3
267.11572	3.9
267.14026	3.3
270.14075	6.3
271.14844	7.0
272.12094	4.6
272.15140	5.3
273.12573	3.9
273.16464	6.2
275.14325	4.3
275.17499	4.9
283.11154	4.3
284.15509	7.0
285.07574	4.0
285.12912	5.3
285.16397	8.9
286.13773	3.0
286.17349	3.4
287.10577	3.3
287.14203	9.8
287.17618	4.3
289.12036	5.1
289.15860	3.6
297.12762	5.0
298.13428	3.6
299.14352	6.2
299.17847	6.6
301.15750	6.2
303.13763	6.2
303.17438	6.3
312.15030	3.2
313.15790	7.9
315.13733	7.3
315.17444	4.9
316.14526	3.8
317.15421	4.1
317.18893	4.1
319.16846	4.2
325.15723	3.0
327.17386	9.7
329.15259	9.1
331.16840	11.7
333.18411	3.6
340.14508	4.2
341.15384	6.6
343.13147	5.6
343.17130	6.5
345.18527	14.7
347.16318	3.0
349.18018	5.2
355.16925	10.2
357.18539	5.3
359.16406	15.5
361.14319	4.5
361.18317	4.0
371.16354	6.3
373.17960	34.7
375.19641	4.1
377.17358	6.8
383.16394	18.9
389.17358	7.8
391.19080	27.4
392.19592	3.0
401.17542	56.8
403.19211	3.4
405.20377	10.0
407.18323	3.4
409.20245	14.2
419.18536	76.0
421.20062	3.3
423.21686	4.2
433.20337	3.6
437.19537	33.0
451.21402	5.9
461.19565	3.4
479.20697	15.7
487.21600	3.4
497.21695	11.4
505.22385	3.0
583.25537	10.0
683.32568	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	682.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.05274	1.8
55.05516	20.2
57.03444	7.8
57.07074	5.8
59.75244	0.9
65.03929	2.7
66.31005	0.9
67.05506	56.0
69.03425	1.2
69.07069	31.7
69.29328	8.2
71.04985	2.1
71.08634	2.6
79.05495	22.8
81.07059	66.8
83.04961	2.6
83.08617	22.6
85.06525	2.6
85.10140	1.4
91.05479	11.6
93.06475	1.3
93.07045	26.6
95.04930	1.2
95.08606	64.3
97.06520	4.2
97.10170	13.8
99.08096	1.1
101.05969	1.1
105.07031	8.5
107.08598	13.5
109.10154	22.1
110.84304	0.9
111.08099	3.0
111.11720	5.8
114.32928	0.8
117.05522	1.6
117.07007	3.0
119.08563	7.0
121.10149	19.9
122.64030	0.9
123.11724	8.6
131.08568	5.2
133.10124	8.1
135.11707	14.0
137.09676	1.2
137.13242	3.6
139.11247	1.7
145.10152	2.6
147.10648	1.0
147.11678	6.2
149.13223	4.6
151.11220	1.3
151.14812	1.2
153.12764	1.7
159.11678	2.3
161.13286	3.9
163.14911	0.9
165.12782	1.1
171.11688	1.1
173.13271	2.0
175.14796	1.2
179.14352	1.5
187.14870	1.1
195.24850	1.0
217.19543	2.1
235.20580	2.7
243.21107	1.2
255.23346	1.6
261.22220	7.5
279.23138	1.3
303.23093	1.6
321.24310	5.4
327.25293	100.0
328.25629	1.2
335.26062	1.0
351.25336	1.2
369.26154	1.3
371.27744	3.8
395.27960	43.0
456.02405	1.0
585.44989	1.3
587.46143	1.7
647.48840	66.0
648.49207	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	22.6
55.05516	49.7
57.07071	13.2
63.88470	5.8
67.05486	8.4
69.25574	59.4
70.86771	5.0
79.05483	11.5
81.03403	16.5
81.07053	13.6
83.04996	73.2
84.05285	6.3
91.05464	36.6
93.07028	12.4
95.04975	14.6
95.08618	7.1
105.07037	25.2
106.07392	6.3
107.04980	6.9
107.08610	7.9
109.06520	8.1
115.05482	6.6
117.07012	20.7
118.24428	5.3
119.08569	29.7
128.06190	8.5
129.06975	16.6
131.08554	17.8
133.10138	44.0
135.08038	6.8
141.06947	7.3
142.07779	17.6
143.08557	20.2
144.08965	5.7
145.06467	20.9
145.10091	19.1
147.08044	100.0
147.11702	12.5
148.08426	10.2
149.09628	8.3
155.08519	10.0
156.09334	18.8
157.10155	41.9
158.07193	8.7
159.08073	32.8
159.11719	14.8
161.09622	53.2
162.09972	11.9
163.07568	37.4
169.10187	10.1
170.10927	6.5
171.08038	16.5
171.11716	69.3
172.12090	8.4
173.09592	23.6
173.13210	6.1
175.07614	9.8
181.10223	6.3
183.07974	7.3
183.11725	47.8
184.08826	6.4
185.09627	25.6
185.13257	43.2
187.11156	11.4
189.09209	7.2
193.10051	6.0
195.11737	15.6
197.09714	8.8
197.13307	16.2
199.11151	19.8
201.09125	13.2
201.12602	7.6
211.11172	8.6
213.12755	37.5
214.13104	11.6
214.18652	6.5
215.10564	6.3
217.10132	5.9
225.12807	6.0
227.10770	5.9
231.13684	11.4
233.13422	6.6
235.14648	6.2
241.12297	21.2
243.13762	10.7
245.15387	37.9
246.15796	7.2
247.14967	7.7
251.14478	7.9
255.13774	13.5
259.13260	10.8
273.14853	31.2
283.14618	6.8
297.12598	7.9
299.14120	8.4
312.14905	8.2
313.15787	13.2
315.17456	12.4
317.19034	10.1
327.17154	12.1
341.18869	16.4
343.16928	7.5
345.18393	7.7
357.18365	6.6
359.20212	9.9
369.18457	17.6
370.18671	8.8
387.19568	30.5
388.19730	13.8
389.20724	7.6
391.22791	9.6
401.21219	34.2
402.21582	15.8
407.21991	12.3
419.22131	82.6
420.22330	15.9
437.23221	21.3
480.25095	6.8
519.27307	14.1
537.28247	7.8
578.56604	6.6
605.30713	14.3
619.32355	8.8
637.33423	15.2
650.13501	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	682.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.05511	11.6
61.02913	1.5
62.06092	4.3
63.80151	1.4
64.98086	1.3
67.05511	6.0
69.03454	3.6
69.07070	2.4
69.94458	1.4
70.06609	2.1
71.56586	1.9
73.02915	1.9
79.05476	3.4
81.03436	2.9
81.07072	4.5
83.04987	16.3
85.02933	2.6
86.06087	3.1
91.05511	5.4
92.05011	3.3
93.07065	3.4
95.04995	4.8
95.08602	4.2
97.02919	2.3
98.06075	1.8
104.68587	1.7
105.07049	6.3
107.08603	3.5
109.06524	1.4
109.10184	3.2
111.04474	2.2
116.07132	2.8
116.10744	4.1
118.06568	9.5
119.08616	3.8
120.08180	2.3
121.10143	2.3
127.03952	2.4
128.06264	1.7
129.07063	2.4
131.04976	1.6
131.08592	1.8
132.08110	1.9
133.06546	3.2
133.10161	3.0
136.06216	14.6
137.05998	2.6
143.08575	4.2
145.10187	4.4
147.04384	1.8
147.08098	2.3
157.10156	5.3
159.08136	2.7
159.11723	2.1
161.06041	1.8
161.09683	2.1
162.07826	5.0
162.09219	12.7
163.09944	3.6
163.11226	1.7
167.07135	3.2
169.10237	2.5
171.08044	2.5
171.11772	5.7
173.09676	2.2
177.05489	2.1
183.11787	5.1
185.09612	1.9
185.13214	3.8
187.11227	2.8
197.09662	2.1
197.13292	1.7
199.07512	1.8
199.11221	3.7
202.16039	4.1
213.12862	5.2
214.18031	1.5
221.13406	1.7
223.11395	2.0
226.14439	2.4
230.15405	22.9
231.13864	3.6
255.11784	1.8
287.13062	1.7
291.17310	1.6
292.15799	2.8
292.19092	57.0
355.12067	3.0
373.17850	2.5
377.17578	1.8
388.19742	2.0
391.19217	3.2
409.20468	2.3
437.19894	4.7
451.21417	1.8
455.20724	2.3
473.22061	1.6
510.26758	6.9
520.32935	4.6
569.28052	1.6
573.27264	1.7
584.27295	4.9
608.94647	1.7
615.28381	3.0
664.34705	2.1
682.38129	100.0
683.38300	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	682.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01873	2.0
55.05514	6.3
57.27180	1.5
67.05515	3.5
69.07072	3.6
71.56167	2.8
79.05491	6.2
81.07045	6.0
82.02929	1.8
83.04979	7.0
91.05485	10.0
93.07050	8.9
95.04976	6.7
95.08606	7.8
97.06540	8.8
103.05473	44.2
105.03387	2.3
105.07040	13.3
107.04940	2.8
107.08586	7.4
109.06511	3.0
115.05421	2.9
117.07052	3.9
119.08584	16.2
121.06513	8.3
121.10152	4.6
123.08059	7.3
126.05520	9.0
128.06242	2.9
129.07010	3.6
131.04933	100.0
131.08578	8.1
133.06519	2.9
133.10133	16.8
135.08067	3.6
137.09665	2.6
139.07602	2.5
141.06973	2.3
142.07808	4.7
143.08600	9.1
145.10152	13.3
147.08031	5.7
149.09599	3.9
153.07037	3.6
155.08592	8.0
156.09395	7.6
157.10164	16.6
158.11014	1.7
159.08026	3.7
159.11656	8.5
161.05998	1.8
161.09639	8.0
163.11205	2.4
165.07025	4.8
165.09210	2.6
167.08559	3.5
168.09485	2.0
169.10135	11.0
170.10895	5.0
171.08163	3.5
171.11687	21.7
172.08821	2.4
173.09621	7.5
173.13297	5.1
175.07576	1.9
175.11078	2.4
177.09081	2.9
179.08559	2.9
180.09335	2.5
181.10135	5.8
182.10872	5.4
183.08110	2.7
183.11694	15.5
185.09644	7.5
185.13290	10.0
187.07581	2.1
187.11197	5.1
187.14815	1.9
189.12778	2.0
192.09372	3.5
193.10152	4.1
194.10922	3.0
195.11723	27.3
197.09584	4.8
197.13266	14.2
199.11240	12.1
200.11983	4.9
201.09116	2.8
201.12752	6.0
203.10646	2.0
205.10260	2.1
206.11877	4.4
207.11719	8.0
209.09778	2.9
209.13208	8.0
211.11177	4.4
211.14882	2.8
212.11914	1.9
213.12737	19.4
215.14365	5.6
217.10239	2.2
219.11780	4.3
220.12560	2.8
221.13269	5.4
222.14015	2.2
223.11194	3.2
223.14862	3.9
224.11865	1.8
225.12816	10.9
226.13513	2.1
227.14243	3.8
229.10181	2.4
231.11751	2.6
231.13864	3.9
233.13278	4.3
234.13986	1.9
235.14822	4.9
236.11983	2.1
237.12817	2.4
241.12202	4.5
243.11682	3.9
243.13820	18.0
245.13309	3.3
247.14989	3.4
249.16411	5.2
251.14243	2.4
255.11664	1.8
259.13174	2.9
260.15775	3.3
261.16614	3.1
261.67181	1.8
263.14331	1.8
263.17984	3.0
265.16071	1.8
273.12787	2.1
273.16431	3.8
275.17938	6.2
277.15750	2.0
279.14063	1.4
279.17322	2.8
291.17465	3.7
293.19022	7.3
295.16965	4.7
303.17606	7.6
309.18512	2.9
311.20053	5.7
321.18497	22.0
323.19983	2.4
339.19604	24.0
357.20532	2.7
381.20422	2.2
399.21796	9.3
403.18915	2.7
417.22870	2.8
421.20200	5.2
439.20804	4.2
446.24173	2.1
481.22025	2.5
499.23160	4.4
650.32776	1.9
664.32367	1.6
682.34869	2.2
700.93793	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	682.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01860	1.9
55.05500	2.4
57.03423	1.7
58.06604	0.7
61.02913	0.9
65.14243	0.6
67.05479	1.7
69.03428	4.4
69.07056	1.2
69.32140	4.7
70.06591	0.6
70.08949	0.5
71.05012	0.9
72.04502	0.8
72.08175	1.2
73.02903	0.9
79.05478	1.9
81.03417	5.3
81.07041	2.1
83.04973	2.2
83.08617	0.8
85.02911	11.7
86.06080	1.7
87.00826	3.8
91.05491	2.8
93.07036	2.3
95.04958	2.5
95.08609	1.2
97.02885	4.0
97.06496	1.3
98.20703	1.0
99.04445	1.9
100.07615	1.1
100.11285	0.7
104.07095	2.6
105.01865	1.9
105.03378	2.2
105.07069	2.8
107.04940	1.5
107.08574	1.3
108.04465	1.6
109.02874	4.7
109.06507	0.9
109.10122	1.5
114.05524	5.3
114.09202	0.8
115.05457	0.9
116.07091	0.9
117.01852	0.8
117.07017	1.2
118.06552	1.3
119.04967	1.4
119.08575	2.1
120.08102	0.8
121.06498	1.1
121.10130	1.1
123.04422	0.7
126.05509	1.0
127.03925	6.7
129.01849	0.6
129.07013	1.2
130.53101	0.6
131.04935	1.5
131.08598	1.4
133.06505	1.9
133.10136	1.5
135.03090	0.6
135.04404	0.6
136.06203	4.7
137.05972	1.9
138.03156	0.7
142.05016	2.9
143.04961	0.7
143.08585	0.6
144.06560	1.0
145.04959	2.4
145.06476	1.7
145.10120	1.4
147.04407	0.8
147.11671	1.0
151.07512	1.0
152.05667	9.4
153.05458	6.6
155.04938	0.9
157.10144	1.6
158.03612	1.2
159.02879	2.6
159.08055	1.2
161.06067	1.2
161.09663	0.6
162.09119	0.8
163.07510	0.8
163.11197	0.7
165.05568	1.2
165.06995	0.7
167.07039	17.7
169.10101	0.8
171.11665	1.7
173.05966	3.9
174.06639	0.8
175.03947	0.8
175.07631	0.8
178.07727	0.8
179.07036	1.2
179.08466	1.1
180.07825	1.1
181.04971	1.3
182.15489	0.8
183.11700	1.1
185.13306	1.2
186.03116	3.0
187.07619	1.3
189.05482	1.6
189.07018	1.0
191.06972	1.4
193.08603	2.3
197.09682	1.2
197.13266	0.8
199.11171	0.8
201.05464	23.6
203.06985	3.0
205.06548	1.4
206.07281	1.1
207.06389	0.8
207.08124	3.9
209.13315	0.9
211.07376	0.8
213.12883	0.7
215.07025	4.8
215.10614	0.6
217.06476	1.3
218.07326	1.1
219.08081	2.6
220.05208	4.0
221.05952	1.8
224.08319	1.8
230.15338	1.9
231.04880	1.4
231.13919	0.9
232.05260	0.7
233.06041	1.3
233.11600	0.7
234.06776	3.4
235.07556	12.6
236.08243	1.3
237.05434	1.2
237.09128	0.7
238.06277	0.7
243.06508	1.6
246.06766	0.6
247.07518	2.6
247.09697	1.7
248.04698	1.9
248.07976	1.3
249.05469	1.5
249.09105	1.4
250.06375	0.9
251.07080	2.3
251.10799	0.8
252.07822	3.8
261.05389	1.0
262.06277	3.5
263.07040	13.5
264.07758	2.9
265.04919	1.8
266.09201	1.0
267.10159	8.6
269.08197	1.1
275.17743	0.7
276.07770	2.3
277.08578	3.1
279.06537	2.1
280.07324	7.2
281.08118	1.7
290.05746	1.2
291.06482	2.6
291.64001	0.6
292.07401	0.9
292.19086	4.7
293.04617	1.3
293.07886	1.2
294.08881	2.3
295.09647	13.4
295.12823	1.1
296.10406	1.2
297.07538	1.0
303.06586	1.1
304.07352	0.9
305.08102	2.1
307.05927	1.2
307.09546	1.0
308.06744	4.0
309.07553	1.7
309.11212	0.7
312.10013	1.1
320.06696	1.0
322.08151	4.0
323.09106	12.4
327.12314	6.4
335.09140	3.3
337.10675	15.1
340.09299	2.1
347.09238	0.9
355.11761	100.0
356.12015	2.2
365.10294	1.1
367.11777	9.0
369.13364	5.0
379.11761	5.8
385.13040	1.5
387.14395	38.7
388.14902	0.7
391.11917	1.2
397.12762	1.2
399.14383	3.1
403.11713	0.7
417.13251	0.8
421.12848	1.4
431.03296	0.6
445.12891	5.4
463.13800	1.2
503.33722	2.7
549.13696	1.2
567.15643	1.2
585.15979	1.1
603.16974	0.9
628.33099	1.2
646.33820	1.4
664.31494	1.2
681.52710	1.4
682.38745	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	682.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01860	1.9
55.05500	2.4
57.03423	1.7
58.06604	0.7
61.02913	0.9
65.14243	0.6
67.05479	1.7
69.03428	4.4
69.07056	1.2
69.32140	4.7
70.06591	0.6
70.08949	0.5
71.05012	0.9
72.04502	0.8
72.08175	1.2
73.02903	0.9
79.05478	1.9
81.03417	5.3
81.07041	2.1
83.04973	2.2
83.08617	0.8
85.02911	11.7
86.06080	1.7
87.00826	3.8
91.05491	2.8
93.07036	2.3
95.04958	2.5
95.08609	1.2
97.02885	4.0
97.06496	1.3
98.20703	1.0
99.04445	1.9
100.07615	1.1
100.11285	0.7
104.07095	2.6
105.01865	1.9
105.03378	2.2
105.07069	2.8
107.04940	1.5
107.08574	1.3
108.04465	1.6
109.02874	4.7
109.06507	0.9
109.10122	1.5
114.05524	5.3
114.09202	0.8
115.05457	0.9
116.07091	0.9
117.01852	0.8
117.07017	1.2
118.06552	1.3
119.04967	1.4
119.08575	2.1
120.08102	0.8
121.06498	1.1
121.10130	1.1
123.04422	0.7
126.05509	1.0
127.03925	6.7
129.01849	0.6
129.07013	1.2
130.53101	0.6
131.04935	1.5
131.08598	1.4
133.06505	1.9
133.10136	1.5
135.03090	0.6
135.04404	0.6
136.06203	4.7
137.05972	1.9
138.03156	0.7
142.05016	2.9
143.04961	0.7
143.08585	0.6
144.06560	1.0
145.04959	2.4
145.06476	1.7
145.10120	1.4
147.04407	0.8
147.11671	1.0
151.07512	1.0
152.05667	9.4
153.05458	6.6
155.04938	0.9
157.10144	1.6
158.03612	1.2
159.02879	2.6
159.08055	1.2
161.06067	1.2
161.09663	0.6
162.09119	0.8
163.07510	0.8
163.11197	0.7
165.05568	1.2
165.06995	0.7
167.07039	17.7
169.10101	0.8
171.11665	1.7
173.05966	3.9
174.06639	0.8
175.03947	0.8
175.07631	0.8
178.07727	0.8
179.07036	1.2
179.08466	1.1
180.07825	1.1
181.04971	1.3
182.15489	0.8
183.11700	1.1
185.13306	1.2
186.03116	3.0
187.07619	1.3
189.05482	1.6
189.07018	1.0
191.06972	1.4
193.08603	2.3
197.09682	1.2
197.13266	0.8
199.11171	0.8
201.05464	23.6
203.06985	3.0
205.06548	1.4
206.07281	1.1
207.06389	0.8
207.08124	3.9
209.13315	0.9
211.07376	0.8
213.12883	0.7
215.07025	4.8
215.10614	0.6
217.06476	1.3
218.07326	1.1
219.08081	2.6
220.05208	4.0
221.05952	1.8
224.08319	1.8
230.15338	1.9
231.04880	1.4
231.13919	0.9
232.05260	0.7
233.06041	1.3
233.11600	0.7
234.06776	3.4
235.07556	12.6
236.08243	1.3
237.05434	1.2
237.09128	0.7
238.06277	0.7
243.06508	1.6
246.06766	0.6
247.07518	2.6
247.09697	1.7
248.04698	1.9
248.07976	1.3
249.05469	1.5
249.09105	1.4
250.06375	0.9
251.07080	2.3
251.10799	0.8
252.07822	3.8
261.05389	1.0
262.06277	3.5
263.07040	13.5
264.07758	2.9
265.04919	1.8
266.09201	1.0
267.10159	8.6
269.08197	1.1
275.17743	0.7
276.07770	2.3
277.08578	3.1
279.06537	2.1
280.07324	7.2
281.08118	1.7
290.05746	1.2
291.06482	2.6
291.64001	0.6
292.07401	0.9
292.19086	4.7
293.04617	1.3
293.07886	1.2
294.08881	2.3
295.09647	13.4
295.12823	1.1
296.10406	1.2
297.07538	1.0
303.06586	1.1
304.07352	0.9
305.08102	2.1
307.05927	1.2
307.09546	1.0
308.06744	4.0
309.07553	1.7
309.11212	0.7
312.10013	1.1
320.06696	1.0
322.08151	4.0
323.09106	12.4
327.12314	6.4
335.09140	3.3
337.10675	15.1
340.09299	2.1
347.09238	0.9
355.11761	100.0
356.12015	2.2
365.10294	1.1
367.11777	9.0
369.13364	5.0
379.11761	5.8
385.13040	1.5
387.14395	38.7
388.14902	0.7
391.11917	1.2
397.12762	1.2
399.14383	3.1
403.11713	0.7
417.13251	0.8
421.12848	1.4
431.03296	0.6
445.12891	5.4
463.13800	1.2
503.33722	2.7
549.13696	1.2
567.15643	1.2
585.15979	1.1
603.16974	0.9
628.33099	1.2
646.33820	1.4
664.31494	1.2
681.52710	1.4
682.38745	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	681.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.3
54.35470	2.2
55.01867	7.8
55.05515	49.4
57.07069	11.1
67.05506	7.8
69.03445	6.3
69.07076	4.0
69.25383	13.1
69.25820	10.4
75.47331	2.6
79.05496	10.8
81.03426	9.9
81.07075	8.8
83.04992	100.0
91.05486	26.8
93.07056	11.8
95.04967	8.4
95.08604	10.9
105.07029	20.0
107.04961	3.4
107.08604	12.4
109.06517	4.9
109.10179	5.2
115.05451	8.4
116.06248	4.2
117.07059	15.6
119.04924	2.9
119.08596	24.9
121.06545	3.9
121.10152	7.7
128.06261	7.2
129.07013	13.1
131.08601	16.8
133.10155	18.3
135.08076	4.7
141.07001	7.8
142.07796	9.0
143.08551	15.2
145.06482	14.7
145.10144	14.7
147.08052	49.2
149.09633	6.7
155.08594	7.7
156.09343	10.9
157.10143	25.1
158.07213	4.1
159.08057	31.3
159.11726	6.0
161.09619	35.4
163.07617	6.2
163.11176	4.5
167.10686	4.1
168.09357	2.9
169.10162	14.8
170.10962	6.1
171.08051	8.4
171.11700	38.6
173.06006	3.9
173.09607	15.6
175.07574	14.1
181.10094	4.6
183.08031	4.9
183.11707	20.8
185.09642	19.2
185.13258	33.9
187.11232	7.2
193.10107	4.4
195.07965	3.4
195.11707	7.4
197.09619	9.2
197.13310	8.0
198.10492	3.2
199.11221	18.0
201.12816	4.5
205.12227	3.8
207.11697	5.8
209.09735	4.6
211.11151	3.2
213.12755	33.7
215.10773	4.5
221.09589	2.7
221.13394	3.6
223.11128	4.7
229.10201	3.6
229.12317	5.1
231.11816	3.8
231.13875	6.1
232.12491	3.9
233.15431	4.5
237.12724	4.7
239.10623	4.6
241.12244	5.5
243.13824	6.2
244.12540	4.5
245.15427	28.5
249.12851	4.2
255.13916	7.2
257.13373	3.5
258.14227	3.6
259.13425	11.0
269.13101	4.4
271.11414	3.1
273.12466	3.8
273.14932	21.0
275.14264	3.2
283.14795	3.9
286.13528	3.5
287.14417	5.1
297.12878	6.5
301.15875	8.0
311.14117	3.8
312.15170	5.5
313.15875	6.3
315.17380	6.1
317.19077	6.0
326.16583	3.8
327.13980	4.2
327.17432	10.3
329.15356	7.0
331.20386	3.8
341.19061	11.2
345.18521	5.4
357.18619	8.9
359.20099	13.0
369.18555	16.8
387.19711	23.2
389.21161	9.6
391.22888	7.2
401.21112	25.7
419.22226	36.9
437.22839	3.6
461.23141	4.6
479.24448	13.3
579.29718	3.0
581.31049	3.9
649.33643	2.8
663.34827	8.8
681.29877	7.6
681.49225	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	681.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26129	1.2
53.03960	2.8
55.01665	1.4
55.01879	18.6
55.05260	2.2
55.05513	30.9
57.07060	1.6
57.99545	1.1
60.70665	1.3
61.55005	1.2
64.81760	1.2
65.03946	1.7
67.05502	6.2
69.03433	15.4
69.07059	1.4
79.05499	10.4
81.03423	12.8
81.07076	6.5
83.04988	41.3
85.06560	1.9
87.04435	1.3
91.05485	35.3
93.07040	9.6
95.01334	1.4
95.04977	15.3
95.08607	3.8
97.06548	1.8
98.68968	1.3
103.05475	3.0
103.62360	1.3
105.07036	21.5
107.04965	7.7
107.08577	7.6
109.06504	7.1
115.05439	18.4
116.06237	3.8
117.07022	32.9
119.04952	1.5
119.08586	43.3
121.06497	5.7
121.10116	3.2
123.08037	1.6
128.06229	8.8
129.07014	25.1
130.07777	7.2
131.04936	2.5
131.08569	27.0
132.05701	1.5
133.06499	4.6
133.10123	9.8
135.08020	7.9
136.30746	1.3
138.27930	1.4
141.06998	5.7
142.07791	11.2
143.08568	21.5
144.05733	2.3
144.09319	3.9
145.06485	30.4
145.10124	24.7
146.07288	1.8
147.08051	80.3
147.11642	1.7
149.09636	12.0
153.07010	4.7
154.07813	3.0
155.06073	3.0
155.08536	10.8
156.09384	9.2
157.06512	2.5
157.09082	1.0
157.10133	39.2
158.07268	4.8
159.08061	49.8
159.11688	32.1
161.05948	2.2
161.09613	27.5
163.07550	100.0
164.07875	1.8
165.07010	4.0
165.09135	1.5
166.07802	2.5
167.08580	4.1
168.09364	5.3
169.10130	30.0
170.07248	1.6
170.10963	7.9
171.08063	8.0
171.11678	21.0
172.08841	5.7
173.06047	7.7
173.09624	39.5
173.13269	10.1
175.07545	13.0
175.11182	3.4
177.09105	2.3
179.08542	3.1
180.09346	2.7
181.10133	5.5
183.08159	3.7
183.11699	53.8
184.08752	1.7
185.09653	16.2
185.13255	33.3
186.10370	2.0
187.07556	3.4
187.11188	17.0
188.71597	1.4
189.09103	4.8
189.12811	1.9
191.08653	2.4
191.10684	3.4
192.09447	1.7
193.10188	6.7
194.10899	2.1
195.08064	2.6
195.11732	6.3
196.08844	2.9
197.09610	12.8
197.13222	3.9
198.10417	1.6
199.07486	1.6
199.11191	14.1
201.09125	21.4
201.12764	27.5
203.08720	2.0
203.10626	2.3
205.10161	1.9
205.12132	2.4
206.10968	4.6
207.11780	7.5
209.09656	6.4
209.13263	3.0
211.11195	14.1
213.09158	3.7
213.12775	11.3
215.10619	8.0
216.09277	1.9
217.10239	2.0
217.12256	4.0
218.10925	2.9
219.11815	2.6
220.12527	2.7
221.09703	3.0
221.13327	5.4
223.11189	8.0
223.14720	1.9
225.12749	4.1
227.10706	5.2
229.10202	2.3
229.12233	24.2
230.10922	3.2
231.11859	2.4
231.13788	3.0
232.12395	3.1
233.09634	2.9
233.13425	2.4
233.15257	7.4
235.11160	5.8
235.14883	3.6
237.12756	5.8
239.10651	5.4
241.10085	1.6
241.12302	3.0
242.10901	1.8
243.11790	2.3
243.13860	12.5
244.12402	2.7
245.09448	1.7
245.13232	4.4
245.15497	4.5
246.14105	2.8
247.11208	2.6
247.14885	5.0
249.12746	3.8
251.14275	3.2
253.12369	2.3
255.11638	2.1
255.13887	3.0
256.12509	3.6
257.13287	5.7
258.10394	1.9
258.14044	2.7
259.11011	2.9
259.13205	11.7
260.11957	2.8
261.12659	1.9
261.14865	11.8
263.14487	2.8
267.11688	1.8
269.13409	2.0
270.14029	3.9
271.13181	3.0
272.12076	3.1
272.15463	3.0
273.12756	4.7
273.15222	1.8
274.13391	1.8
275.14398	3.0
279.13815	2.3
281.13177	1.5
282.13879	2.4
283.11130	1.9
284.11945	2.1
284.15530	1.4
285.12646	8.7
285.15591	1.3
286.13565	3.5
287.14423	6.8
287.17255	1.4
289.14636	2.1
291.13708	2.2
291.17319	1.5
293.15253	2.0
296.15506	1.6
297.12686	2.3
297.16199	3.2
298.13443	1.7
299.14392	7.6
300.15167	8.9
301.12579	2.3
301.15814	8.0
301.18948	2.0
303.17496	2.6
313.12302	2.5
313.15820	4.3
314.16733	4.5
315.13797	1.7
315.17413	26.9
316.18130	1.9
317.15186	2.2
319.20541	1.5
323.16641	1.9
325.15823	4.3
327.13785	3.5
327.17468	2.9
328.14450	2.2
329.15271	2.4
329.18933	16.5
331.16919	2.6
333.18448	5.5
335.16638	1.7
339.17444	4.8
341.15286	2.7
342.16196	2.6
343.17059	6.8
347.20087	4.1
349.18164	1.7
357.18530	21.1
359.16501	1.9
361.18069	4.4
367.16870	1.4
369.18555	2.0
373.17514	1.7
375.19476	12.5
385.18124	8.3
387.19574	3.7
389.21124	27.7
399.19379	2.7
401.21201	3.5
403.19006	7.8
405.20483	2.3
407.22073	8.6
417.20639	19.5
419.22241	4.9
435.21680	20.3
453.22943	1.8
479.23615	2.7
489.22351	1.5
503.24081	4.3
521.25409	5.1
603.29211	1.7
701.04688	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01867	2.4
55.05515	63.6
57.03439	1.0
59.33099	0.9
67.05499	2.6
69.03427	3.9
69.07060	2.1
69.17953	0.9
70.46922	1.0
79.05512	6.6
80.79939	0.9
81.03421	1.1
81.07061	2.2
83.04987	100.0
87.74399	0.8
91.05479	11.3
93.07064	4.7
95.04978	4.3
95.08590	2.6
96.29200	1.0
97.06522	0.9
103.05462	3.2
104.60482	1.0
105.03436	1.0
105.07042	21.3
107.04971	2.3
107.08611	5.1
109.06532	2.0
115.05446	4.9
117.07041	9.1
119.04895	1.3
119.08578	13.0
121.06509	1.7
121.10135	3.0
128.06235	3.4
129.07031	5.3
130.07811	1.6
131.04881	1.5
131.08572	8.8
133.06493	6.7
133.10132	12.0
135.08040	5.5
137.06033	1.1
141.06996	3.2
142.07785	5.7
143.08582	9.9
144.09418	1.0
145.06493	10.7
145.10127	8.0
145.70044	1.0
147.08075	7.3
149.09616	4.3
153.06958	1.3
154.07784	1.2
155.08549	4.7
156.09378	6.9
157.10143	13.1
159.08076	7.1
159.11646	5.1
161.05992	13.8
161.09628	8.0
163.07556	9.8
165.07016	3.0
165.08931	1.0
166.07770	1.5
167.08582	2.5
168.09297	2.0
169.10114	9.1
170.10904	5.3
171.08049	5.9
171.11699	25.0
172.08838	1.6
173.06021	8.3
173.09631	6.9
173.13229	1.9
175.07558	2.9
175.11183	1.6
177.09125	4.0
179.07007	1.2
179.08557	2.6
180.09291	1.3
181.10094	4.1
183.08090	3.1
183.11717	21.8
183.13216	0.8
184.08902	1.2
185.09621	5.9
185.13284	12.8
186.10391	1.0
187.03973	1.6
187.07585	2.0
187.11191	4.7
187.14886	1.4
189.05489	11.0
189.09084	5.6
191.07019	2.1
191.10689	2.1
192.09358	1.4
193.10158	2.8
194.10886	1.4
195.08121	1.9
195.11742	4.6
197.09660	5.0
197.13382	6.0
198.10356	2.7
199.11189	13.0
200.11951	2.3
201.09094	2.2
201.12799	2.6
203.06932	1.4
203.10559	2.0
206.10866	2.6
207.11687	5.0
209.09616	1.9
209.13248	1.6
211.11195	4.7
213.09128	3.1
213.12730	13.4
215.10703	4.7
217.08461	1.9
217.10362	2.0
217.12222	2.1
218.10970	2.0
219.11707	3.7
220.12408	1.9
221.13257	2.8
223.11185	3.4
227.10612	3.4
229.10199	2.4
229.12280	3.8
230.10954	2.2
231.11720	2.4
231.13763	10.1
233.13280	2.0
234.14046	1.6
235.11307	1.9
235.14812	2.3
236.11844	1.5
237.08997	1.6
237.12677	2.5
239.10663	1.2
239.14265	1.1
241.12228	7.6
243.09930	1.7
243.11942	1.3
243.13939	2.6
244.12488	2.0
245.13397	2.6
245.15431	1.9
246.10454	1.2
246.13939	2.3
247.11243	2.0
247.14919	1.8
248.12009	1.2
248.15555	1.7
249.12871	1.3
249.16374	2.6
251.10542	1.3
251.14397	1.7
253.10014	1.1
257.13300	3.7
258.14044	1.3
259.10941	1.8
259.13062	8.2
261.12845	2.2
261.16248	1.5
262.13535	1.8
263.14478	1.1
267.11575	1.5
267.14014	1.8
269.13123	1.3
270.13849	1.1
271.11029	1.3
271.14871	2.4
273.12692	1.3
273.16452	1.5
274.13693	2.0
274.17184	1.1
275.14383	2.0
281.13116	1.4
282.14069	1.9
283.14932	1.2
284.11777	1.8
284.15540	1.1
285.12708	2.1
285.16205	2.0
287.14273	3.2
287.17798	1.8
291.13974	1.9
291.17334	1.6
297.16583	1.4
299.14304	2.8
300.15085	2.0
301.15784	2.4
302.16794	2.6
305.15369	1.8
307.13110	1.3
313.15952	2.9
314.16501	1.7
315.13934	2.0
315.17496	3.4
317.15421	2.3
317.18906	1.5
319.13187	1.3
319.16806	1.8
320.17526	1.9
323.16367	1.4
324.14960	1.4
326.16562	1.7
327.13693	1.7
328.14499	1.7
329.15463	1.7
329.19110	3.3
331.16882	6.6
333.18481	2.7
339.17426	2.8
343.17075	6.9
345.14700	1.8
345.18396	2.7
347.20084	2.9
357.18527	13.7
359.20248	1.5
361.17999	7.2
367.16962	1.7
373.17984	5.6
375.19656	12.6
385.18008	14.5
388.16391	1.6
391.19067	3.5
393.20605	1.9
403.19049	36.2
409.13171	1.1
417.20963	2.0
421.20132	21.4
435.21475	2.9
439.20911	3.1
463.21225	8.7
481.22147	6.8
485.22919	1.4
496.03732	1.0
499.22931	1.7
503.24243	3.1
563.26312	4.4
581.27271	4.7
663.31396	4.5
681.33508	2.7
696.17719	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.0
55.01869	3.2
55.05515	78.0
64.37624	1.8
67.05523	2.0
68.26438	1.7
69.03445	3.5
69.07040	1.7
76.60304	1.8
79.05497	10.2
83.04987	100.0
91.05480	14.4
93.07043	8.4
95.04986	3.9
95.08612	4.0
97.06503	2.2
103.05492	4.7
103.61882	1.7
103.78880	1.7
105.03395	4.5
105.07047	21.7
107.08586	6.0
109.10172	2.3
111.04488	1.6
115.05456	7.3
117.07030	11.4
119.05006	2.4
119.08579	19.9
121.06495	3.2
121.10139	3.5
123.08067	1.8
125.06031	2.9
128.06230	3.8
129.07025	6.1
131.04956	7.3
131.08553	9.5
133.06499	6.3
133.10147	16.1
133.32523	2.0
135.08061	3.6
141.07019	3.4
142.07828	6.9
143.07623	1.7
143.08554	9.8
145.06500	6.0
145.10159	6.0
147.08078	8.9
147.11705	2.6
149.09653	4.7
154.07825	2.2
155.08516	5.5
156.09377	8.3
157.06497	1.8
157.10152	13.8
159.08089	7.3
159.11708	7.0
161.06000	11.8
161.09601	8.8
163.07561	6.8
166.07825	2.2
167.08554	3.6
168.09381	2.1
169.10155	12.8
170.10861	3.6
171.08087	4.1
171.11722	18.6
173.09654	8.4
175.07559	5.3
175.11234	2.0
177.09166	6.6
179.08588	3.2
180.09372	3.1
181.10135	6.1
182.10966	4.2
183.08066	3.0
183.11703	20.1
184.08858	2.8
185.09616	5.6
185.13255	8.5
187.07533	2.3
187.11278	4.3
189.05518	6.3
189.09200	2.9
191.07059	2.1
192.09261	1.8
193.10175	4.8
195.08116	1.7
195.11710	5.8
197.09622	5.0
197.13313	13.0
198.10446	3.0
199.11165	15.6
201.09169	3.9
201.12796	3.7
203.07106	2.0
205.08493	2.5
205.10217	3.0
206.10941	3.0
207.06320	2.2
207.11673	5.7
208.12497	2.2
209.09605	3.7
209.13235	3.0
211.11218	5.7
213.09096	3.7
213.12770	17.5
215.10675	1.9
215.14253	2.9
216.09450	1.7
217.08540	2.2
217.10316	2.7
217.12209	2.6
219.11710	4.0
220.12561	2.9
221.13287	5.6
222.13843	2.3
223.11261	4.5
224.11807	1.8
225.12785	4.9
227.10707	3.3
229.10187	2.9
229.12268	5.7
230.10927	4.2
231.11903	3.6
231.13873	6.0
233.13300	6.2
234.10356	2.0
235.14726	4.0
237.09190	2.5
237.12796	4.3
241.12309	5.6
243.11736	5.9
244.12572	3.1
245.13319	6.6
247.14944	4.1
248.11983	2.7
249.12666	4.4
251.14343	3.0
256.12347	2.1
257.13461	4.5
258.14212	2.8
259.13141	2.5
259.15244	2.2
261.12787	3.1
261.16321	3.2
267.11615	4.3
268.12451	2.4
269.13333	4.1
271.11584	2.1
271.14728	4.5
272.15671	2.5
273.12781	2.1
273.16379	2.5
277.15915	3.0
282.14023	2.3
283.14771	2.9
284.15735	3.1
285.12793	2.4
285.16504	2.9
287.14258	3.2
287.17825	3.3
289.15778	3.3
297.16309	3.1
299.14359	4.1
299.17755	2.2
301.15826	4.6
303.13965	2.8
303.17340	2.7
309.12759	2.2
311.17935	2.6
313.15985	2.4
315.13760	2.9
315.17429	3.5
325.15598	3.4
327.14114	4.4
327.17551	4.1
329.18930	2.9
331.16965	5.0
339.17520	3.7
342.15973	2.6
343.16980	5.1
345.14780	4.3
345.18533	4.1
347.20093	4.9
355.17032	3.6
357.18622	12.1
361.18030	3.5
363.15833	5.9
363.19821	2.2
367.16553	2.6
373.17947	10.7
375.19522	17.5
377.17123	2.2
385.18008	21.2
391.19064	5.1
393.20685	2.5
403.19046	54.5
417.20804	2.3
421.20105	33.4
435.21863	2.2
439.20993	2.1
445.20093	3.2
463.21179	9.0
481.22321	16.1
485.23438	2.1
503.24261	4.3
521.25458	3.1
563.26483	4.6
581.27386	4.8
663.32245	3.1
681.33118	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	681.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.3
51.02391	1.7
53.03950	9.7
55.01659	1.8
55.01876	19.2
55.05515	5.0
55.79826	1.3
67.05511	4.7
69.03436	6.2
69.07103	1.5
77.03942	2.3
79.05486	11.9
81.03413	13.9
81.07053	5.2
83.04989	3.5
91.05484	36.9
93.07047	11.5
95.04968	16.1
95.08615	4.8
103.05481	5.1
105.03400	87.9
105.04547	5.3
105.07037	26.2
107.04953	7.4
107.08607	9.9
109.06528	6.4
109.10133	1.8
111.74512	1.5
113.06046	1.5
115.03945	3.0
115.05453	15.0
115.40218	1.3
116.06232	3.0
117.07027	27.0
119.04948	2.0
119.08585	39.0
121.06520	8.8
121.10171	7.8
123.04463	3.0
123.08086	2.3
127.05544	1.4
128.06210	12.4
128.75343	1.4
129.07010	29.5
129.07922	2.5
130.07829	3.7
131.04973	1.9
131.08582	25.8
132.05687	2.3
133.06516	4.9
133.10143	36.2
135.08054	9.7
139.07558	1.6
141.06985	7.8
142.07784	13.1
143.08560	28.3
143.47432	1.4
144.05707	2.7
144.09366	3.6
145.06490	22.6
145.10127	22.3
146.07370	1.9
147.08057	100.0
147.11711	2.8
149.09612	12.2
153.06967	3.1
154.07748	3.1
155.06003	2.2
155.08557	12.8
156.09366	21.3
157.06531	2.8
157.10127	40.8
158.07283	4.2
158.11003	1.4
159.08070	36.1
159.11685	27.4
160.08774	2.1
161.06012	2.2
161.09628	40.2
161.13252	3.9
163.07545	58.9
163.11186	6.2
165.07024	4.1
166.07919	3.3
167.08577	5.5
168.09262	3.3
169.10123	20.9
170.10916	11.5
171.08020	10.7
171.11693	79.1
172.08812	2.4
173.06030	5.6
173.09628	28.9
173.13246	9.7
175.07555	19.0
175.11209	5.6
175.14841	2.0
177.09108	2.4
179.08505	4.1
180.09360	2.5
180.94078	1.3
181.10124	6.5
182.07275	1.4
182.10902	3.9
183.08110	4.6
183.11711	52.8
184.08878	2.1
185.09680	19.3
185.13260	60.5
187.07530	3.5
187.11172	12.8
187.14763	2.6
189.09106	5.1
189.12801	4.9
191.10661	1.6
192.09402	1.6
193.10150	4.6
195.11716	11.4
196.09061	1.6
196.12480	1.5
197.09619	7.9
197.13289	14.4
198.10378	5.7
199.07515	2.3
199.11189	24.1
200.11967	4.5
201.09142	10.5
201.12788	8.0
203.10643	4.4
203.14372	3.1
204.09415	1.6
205.10269	2.3
205.12276	2.6
206.10957	2.2
207.11783	3.4
208.08873	2.5
209.09628	5.2
209.13263	5.0
211.11140	9.6
211.14749	1.7
213.09424	2.2
213.12738	47.9
215.10754	5.3
215.14375	3.4
216.09323	2.2
217.10361	2.1
217.12253	5.8
219.11807	2.3
219.13846	2.0
220.12450	2.3
221.09663	1.9
221.13277	4.0
223.11192	6.5
223.14804	2.9
225.12790	4.5
227.10715	5.9
229.10268	2.6
229.12277	7.0
230.10931	3.4
231.09926	1.9
231.13705	8.1
232.12383	2.0
233.13414	2.7
233.15179	7.6
235.11171	2.9
235.14961	2.7
237.12776	4.4
239.10608	2.4
239.14378	2.8
241.12256	20.5
243.11774	2.5
243.13873	11.5
244.12444	1.8
245.09586	2.0
245.13315	2.3
245.15402	39.2
247.11108	1.9
247.14886	2.8
249.12840	3.3
249.16484	2.3
251.14391	3.3
253.12209	1.8
255.11662	1.9
255.13861	14.4
257.13196	4.1
257.15448	4.8
258.14047	2.5
259.10840	2.5
259.13107	16.6
261.12677	3.5
263.14069	1.9
263.16449	8.1
265.12302	1.7
265.15994	2.8
267.11691	1.9
269.13153	2.3
271.11066	2.8
271.13739	2.1
272.11938	1.7
273.14868	30.6
274.13458	2.2
275.14117	1.9
277.15982	2.8
283.11218	3.3
283.14703	3.7
284.12048	2.1
284.15482	2.5
285.12820	4.1
286.13339	2.0
287.14359	6.3
289.15866	3.2
291.16034	4.7
297.12823	6.8
297.16046	2.5
298.13525	2.4
299.14404	4.0
299.17838	3.1
300.14893	1.8
301.12665	1.8
301.15894	5.2
302.16791	1.9
303.13940	1.8
303.17258	3.0
305.19043	1.6
311.14261	4.8
312.15036	4.1
313.15848	4.8
313.19229	1.7
315.14066	1.5
315.17487	10.0
317.15704	2.2
317.18774	7.1
326.16483	3.5
327.14041	1.7
327.17514	16.1
328.18234	4.1
329.18918	3.9
331.17010	2.2
331.20691	4.0
333.18518	3.9
341.19064	12.8
342.15988	1.7
343.16608	1.8
345.18466	14.5
347.16428	1.9
347.20160	3.1
351.19595	1.7
354.16162	2.2
357.18387	6.1
359.19974	13.1
363.19678	1.9
369.18408	9.4
375.19583	3.3
377.21204	3.6
379.18933	2.5
387.19534	21.9
389.21100	9.1
391.22714	9.8
401.21051	24.5
405.20435	6.4
407.22180	6.8
419.22153	45.9
437.23410	7.6
509.23260	2.8
527.24384	3.9
541.25934	5.3
559.26807	2.0
649.28064	9.5
663.29376	2.6
681.29749	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	681.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01871	1.0
55.05518	5.1
67.05507	1.5
69.64038	0.6
69.84063	0.5
71.04999	0.6
71.55178	0.8
79.05506	1.7
81.03414	0.8
81.07067	1.6
81.72173	0.5
82.06157	0.5
83.04981	6.9
90.44025	0.5
91.05493	2.8
91.26495	0.5
93.07059	2.1
95.04981	1.7
95.08600	1.1
97.06528	0.9
103.05482	3.4
105.03400	2.8
105.07042	3.5
107.04980	0.7
107.08604	1.3
107.82422	0.5
109.06541	0.9
109.10166	0.6
115.05463	0.5
117.07079	1.4
119.08587	3.6
121.06556	1.0
121.10187	0.9
129.07002	2.0
131.04953	8.1
131.08611	1.9
132.05302	0.7
132.32663	0.5
133.06450	0.8
133.10143	2.3
135.08026	0.6
142.07799	1.3
143.08591	2.8
145.06544	1.2
145.10112	2.7
147.08073	2.2
149.09595	1.2
155.08536	1.2
156.09373	0.9
157.10110	3.5
158.10440	0.7
159.08089	2.0
159.11746	1.3
161.09659	1.9
163.07553	1.0
164.23608	0.5
167.08545	0.8
169.10092	3.1
170.10847	0.9
171.08067	1.0
171.11725	3.3
173.09686	2.2
173.46310	0.5
176.18062	0.6
179.08569	0.7
180.09367	0.7
181.10159	0.8
183.08118	1.0
183.11711	5.0
185.09669	1.8
185.13271	3.2
187.11188	0.9
189.09238	0.8
193.10246	0.9
195.11731	1.7
197.09671	0.8
197.13278	1.9
199.11205	2.4
201.12608	0.6
206.10979	0.8
207.11797	1.2
209.09621	0.6
209.13306	0.7
211.11255	1.2
213.12762	4.7
217.12172	0.8
221.13351	0.8
225.12738	0.9
233.13199	0.6
235.11244	0.6
235.14769	1.0
243.11674	0.9
245.13199	0.8
247.14893	1.0
249.12735	0.7
271.15021	0.7
281.11646	1.0
288.15042	0.6
301.15848	0.6
341.13681	0.8
357.17010	1.7
375.19730	1.2
381.27328	0.6
391.19623	0.6
393.21072	0.7
403.19107	1.2
417.18826	5.8
421.20145	1.3
431.02417	0.7
455.20718	0.6
459.28415	0.6
472.97733	0.6
481.22324	0.8
501.22583	1.3
561.24719	2.3
614.00665	0.5
621.26727	100.0
622.26508	2.9
681.31732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61714	2.3
53.03937	6.9
55.01862	5.4
55.05511	33.7
57.03447	13.3
57.07079	5.2
59.05005	2.9
65.03924	3.8
65.62180	2.3
67.05508	92.2
68.05819	3.4
69.07077	29.9
70.85477	2.6
71.02151	6.3
71.04989	6.5
79.05495	77.6
81.07059	100.0
83.04982	5.5
83.08616	22.0
85.06542	4.6
91.05482	82.8
93.06476	4.7
93.07045	78.4
94.07373	3.6
95.04980	7.1
95.08611	79.9
97.06516	8.0
97.10162	7.6
98.06897	2.8
99.08081	3.3
103.05463	4.2
105.07033	46.8
107.08593	42.5
109.06503	3.6
109.10168	28.8
111.08092	9.7
111.70103	3.3
117.07013	31.1
119.08587	30.6
121.10146	60.5
123.08079	4.9
123.11720	8.6
125.09651	5.5
129.07008	7.7
131.08577	33.7
133.10152	32.2
135.08113	3.2
135.11682	37.1
143.08575	8.4
144.52449	3.1
145.10126	24.1
147.11685	13.7
149.13258	7.1
157.10143	7.1
159.11728	11.9
160.11984	3.2
161.13280	10.4
171.11690	10.1
177.12701	3.0
179.14372	3.6
183.11717	3.6
185.13417	3.0
187.14848	2.8
239.17972	5.2
242.31964	2.8
249.18507	5.4
257.18970	14.3
261.22247	4.8
275.20047	17.0
279.23166	10.2
323.22195	6.0
331.22879	16.6
349.23798	20.7
351.25198	6.8
353.26877	66.5
367.24747	24.5
369.25665	3.8
475.23755	3.0
545.25372	7.9
585.80035	3.6
601.44684	63.5
605.27173	9.6
609.44934	10.3
627.46143	34.1
645.47198	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	680.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56614	2.2
53.03944	3.7
55.05513	20.8
57.03432	9.7
57.07076	5.0
67.05173	3.9
67.05508	56.0
68.30057	2.3
69.07076	38.3
69.89516	6.3
69.89927	4.4
71.04973	3.0
73.35973	2.1
73.73302	1.9
74.43069	2.4
74.55116	2.3
79.05495	34.1
81.07059	62.9
83.04960	2.7
83.08620	24.7
85.06531	3.1
91.05485	29.7
93.07045	31.2
95.08611	63.5
97.06529	5.1
97.10172	14.4
98.20892	3.5
105.07032	24.1
106.30909	2.1
107.08588	14.9
109.10165	22.6
110.85311	2.2
111.08141	2.9
111.11710	3.8
117.05508	2.2
117.07009	7.6
118.28287	2.1
119.08583	20.4
121.10149	21.1
123.11670	5.6
129.06998	3.8
131.08568	9.9
133.10135	16.8
135.11714	13.4
139.11145	3.0
143.08476	4.7
145.10130	7.7
147.11691	9.6
149.13206	5.4
151.11221	3.0
151.52277	2.1
159.11719	6.9
161.13309	5.4
163.54686	2.3
171.11620	3.1
173.13275	3.5
182.77124	2.1
217.19550	4.2
232.00531	2.3
235.20555	2.5
241.19534	3.0
259.20596	11.6
327.25314	100.0
328.25531	2.5
333.24243	7.9
369.26486	4.0
375.25244	3.9
393.26425	23.7
555.51160	2.4
627.45203	2.6
645.37408	3.8
645.47314	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35864	2.3
52.28495	2.2
55.05504	5.2
57.06837	3.8
57.07080	44.2
60.29407	2.5
64.05059	2.3
67.05498	9.5
67.18512	2.0
69.07082	2.3
71.55267	3.2
73.97681	2.0
77.14740	2.1
79.05485	4.7
81.07063	13.0
83.08639	3.0
85.62069	2.1
91.05473	8.4
93.07030	5.1
95.04942	2.4
95.08613	8.0
96.34734	2.4
97.06530	2.4
106.64783	2.1
107.08576	3.8
109.06546	4.9
109.10148	3.8
111.04411	3.0
119.08575	2.7
121.10117	2.8
131.08600	2.6
137.05989	27.3
147.11688	9.2
151.07683	2.2
165.96205	2.2
192.78574	2.3
231.17522	2.8
233.03743	3.0
251.04669	11.4
277.18011	11.1
295.19296	3.0
307.10873	3.0
327.07822	89.8
330.01410	2.4
337.27286	8.6
351.21829	3.8
383.14056	54.9
383.24289	2.8
439.20367	92.2
495.26645	89.4
551.33002	48.4
585.42041	2.7
607.39166	100.0
608.39270	3.1
613.44708	19.3
645.46924	6.1
663.45416	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49569	1.3
53.03937	2.3
53.91945	1.3
54.63306	1.4
55.01864	3.1
55.05261	1.9
55.05513	22.3
56.52676	1.5
61.91230	1.5
67.05505	2.7
69.03424	2.8
69.07058	1.8
70.06537	1.5
70.44383	1.8
70.44747	5.1
71.51782	1.6
72.08154	4.4
74.06092	1.7
74.09722	100.0
75.75062	1.4
79.05489	5.1
81.03429	3.1
81.07051	5.5
83.04987	31.8
91.05489	7.5
92.01173	1.4
93.07042	5.4
95.04973	6.5
95.08619	3.2
99.04455	1.4
103.05476	7.1
105.03404	9.1
105.07040	11.8
106.07410	1.5
107.04966	2.0
107.08609	4.3
109.06511	2.7
111.08071	2.4
115.05462	3.9
117.06993	9.2
119.08595	9.5
121.06566	1.9
121.10136	3.5
128.06155	2.3
129.06995	5.5
131.04932	9.8
131.08571	6.5
133.06493	6.2
133.10068	7.1
135.08066	5.1
141.07037	1.3
142.07796	1.6
143.08594	7.3
145.05373	1.3
145.06407	7.3
145.10153	4.8
147.08020	6.7
149.09645	5.8
155.08578	5.6
156.09361	2.4
157.10129	9.6
159.08098	6.7
159.11687	4.5
161.05986	5.8
161.09630	4.9
163.07590	4.4
163.11200	2.3
165.09125	3.3
168.09351	1.7
169.10150	8.2
170.10860	3.4
171.08081	2.6
171.11694	15.6
172.08846	1.7
172.12015	1.8
173.05986	2.9
173.09641	4.5
175.07542	2.2
177.09081	1.8
181.10141	3.6
183.08054	3.3
183.11758	10.8
185.09660	3.6
185.13239	12.2
186.13666	2.1
187.11215	6.4
189.09140	1.9
193.10069	2.1
195.11697	4.4
197.09631	4.7
197.13274	2.5
198.10358	2.9
199.11249	8.7
200.11903	1.6
201.09204	1.9
201.12650	2.9
206.10883	1.8
207.11708	1.8
209.09567	2.4
209.13145	2.4
211.11180	2.9
213.09143	2.0
213.12753	13.0
215.10741	2.3
219.11649	2.4
220.12265	1.5
221.09775	1.9
221.13220	2.3
223.11176	3.5
225.12741	2.3
227.10674	2.9
229.12257	3.2
230.10925	1.7
231.13760	3.5
232.12541	1.8
237.12695	3.3
241.12300	3.0
243.11647	2.8
243.13867	2.3
245.11526	2.0
245.15460	4.7
247.14650	1.9
259.15060	2.6
273.14987	5.4
277.15836	1.6
285.16327	1.9
287.14133	2.4
288.14993	1.7
303.17401	2.2
315.17453	3.3
319.17038	2.2
333.18433	2.6
339.17404	2.1
343.17056	3.4
345.18640	2.0
357.18600	3.4
373.18021	1.8
375.19455	2.9
389.21054	1.8
403.19110	5.4
405.20877	2.7
409.19934	2.3
417.20657	4.6
421.19986	1.9
435.21713	9.2
453.22592	4.1
495.23676	2.6
563.27136	2.0
595.29468	7.1
609.30219	3.0
613.29883	2.1
627.31342	4.2
680.25726	2.5
680.33868	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	680.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	15.3
55.05512	61.9
67.05511	19.2
69.03419	6.8
69.07078	6.9
70.27088	5.2
70.74708	6.6
76.08604	5.8
79.05502	26.3
81.07060	46.3
83.04990	63.2
89.56861	6.4
91.05491	35.1
93.07055	29.8
95.04963	24.0
95.08622	34.9
97.06519	7.3
103.05466	11.0
105.03409	75.6
105.07033	52.8
107.04959	13.0
107.08620	34.8
109.06499	13.6
109.10184	11.1
111.02689	5.3
115.05447	11.4
117.07028	26.9
119.08589	64.5
121.06499	15.2
121.10160	21.7
123.08063	9.9
128.06273	10.6
129.07028	11.9
130.07854	7.7
131.04919	28.8
131.08514	30.6
133.06433	6.5
133.10136	72.3
135.08086	9.4
135.11731	6.9
141.07062	14.0
142.07790	20.8
143.08614	33.0
144.46385	5.7
145.06528	13.8
145.10138	41.8
147.08047	21.3
149.09648	11.2
151.07385	6.8
155.08562	19.7
156.09355	23.2
157.10138	64.2
158.10762	7.6
159.08087	22.5
159.11658	32.3
161.06042	8.5
161.09656	20.5
163.07585	11.8
165.07050	14.2
166.07809	7.5
167.08620	15.9
169.10164	44.5
170.10950	12.4
171.08075	21.7
171.11690	77.0
173.06097	6.3
173.09674	23.9
173.13289	17.7
175.07727	5.9
175.11179	9.5
177.73254	5.4
178.07777	7.2
179.08598	13.5
180.09407	6.8
181.10139	17.8
182.10916	17.6
183.08087	8.3
183.11700	71.0
184.08922	7.0
185.09641	22.4
185.13287	41.6
187.07593	13.4
187.11206	21.0
187.14853	10.3
189.09146	14.3
193.08539	6.4
193.10115	13.7
194.10936	6.3
195.11710	43.1
197.09644	14.3
197.13304	42.2
199.11246	43.1
200.11913	14.0
201.12773	17.3
206.10886	12.3
207.11755	42.6
208.12482	9.2
209.09570	7.0
209.13309	16.5
210.10406	8.7
211.11215	20.1
213.12752	37.5
215.14355	25.7
217.10233	14.0
219.11703	16.0
220.12379	7.9
221.13283	20.3
223.11168	10.5
223.14812	11.2
225.09213	6.5
225.12810	23.1
227.14304	7.5
229.12230	14.4
230.11082	8.1
231.11775	11.7
232.12444	12.0
233.13289	18.7
234.14037	8.2
235.11246	8.3
235.14833	17.3
237.12740	9.5
243.11688	11.9
243.13863	18.7
245.13284	20.8
246.13943	11.5
247.14902	25.8
249.12674	19.6
249.16568	11.2
251.14423	6.8
257.13284	11.5
258.14099	10.0
259.14865	7.6
260.15707	7.1
261.16400	15.7
262.13406	8.6
262.17123	11.7
263.14484	12.8
263.17865	17.4
265.15924	13.0
272.15402	12.0
275.14865	8.5
275.17957	34.0
277.19565	59.7
285.16498	6.6
287.17905	29.1
289.15808	12.1
290.16614	8.4
293.19080	21.3
295.20575	15.8
305.18979	100.0
321.18701	9.7
323.20065	85.4
341.21255	15.9
343.17090	8.1
344.17969	7.9
345.18344	8.9
357.18573	10.5
359.20145	21.2
369.18491	22.3
375.19507	11.5
377.21173	8.3
387.19589	52.1
405.20541	63.3
423.21619	21.8
527.26099	6.1
563.29968	12.9
620.29504	7.8
627.29340	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	680.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	18.7
55.05521	13.6
67.05511	18.6
71.55226	15.2
79.05491	29.3
81.07057	27.5
83.04978	42.9
91.05473	52.5
93.07061	18.4
95.04971	37.4
103.05482	27.1
104.89095	13.9
105.03401	100.0
105.07035	30.8
107.04939	17.2
109.10144	21.5
117.07025	20.0
119.08596	35.3
121.06493	22.3
129.07028	23.9
131.04932	60.4
131.08586	42.9
133.10132	37.5
135.08058	17.2
142.07822	21.1
143.08583	24.0
145.06404	18.1
145.10126	35.9
147.08023	74.7
149.09618	20.8
157.10156	43.0
159.08055	73.6
159.11807	14.3
161.09631	40.0
163.07530	40.4
169.10104	22.7
171.08037	14.5
171.11723	41.8
173.09644	43.1
175.07576	17.3
183.11688	29.7
185.09679	20.8
185.13304	24.3
187.07597	13.3
197.09612	25.4
199.11180	25.9
199.95177	18.0
201.12982	12.7
211.11195	22.0
213.12730	20.4
231.13884	17.6
238.53050	13.3
253.67348	14.5
255.20451	14.3
291.76459	12.8
311.78882	12.4
331.16953	13.9
357.18240	18.5
387.19608	21.8
403.18918	13.7
405.20795	17.7
407.22272	17.7
435.21741	26.9
437.23682	14.0
452.19986	14.0
499.70404	14.7
620.28760	31.3
681.29987	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	680.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02382	3.8
53.03948	9.8
55.01863	7.0
55.05265	5.1
55.05513	70.3
67.05502	19.7
69.03413	7.1
69.07064	6.9
69.29982	4.8
70.06588	8.2
75.29803	4.0
79.05492	29.6
81.03413	16.0
81.07071	21.7
83.04983	96.5
85.02908	5.7
86.09785	5.4
87.45869	4.4
91.05486	60.5
93.07041	26.3
95.04988	32.2
95.08615	15.1
97.02869	5.8
97.06540	8.5
100.11274	11.5
100.47404	4.9
101.06004	5.5
103.05471	17.4
105.03380	8.2
105.07034	55.6
107.04980	12.5
107.08610	23.6
109.06499	11.0
110.05968	5.3
111.04475	5.7
115.05447	14.4
117.07018	34.7
119.04970	8.1
119.08581	77.1
121.06522	15.6
121.10148	10.9
123.04460	7.3
123.08065	5.2
125.02296	5.5
128.06221	16.2
129.07021	18.3
130.07765	7.2
131.04916	17.2
131.08562	45.4
133.06487	29.7
133.10124	31.8
135.08029	19.5
136.06192	47.9
141.06996	12.2
142.07784	22.1
143.08556	37.0
144.06580	7.3
145.06528	17.4
145.10141	28.8
147.08044	24.9
149.05980	7.8
149.09627	20.6
151.07541	13.0
153.06984	8.8
154.07732	6.8
155.06079	4.0
155.08585	25.1
156.09364	22.8
157.10139	63.6
159.08089	24.7
159.11691	58.8
161.02386	4.6
161.05978	26.4
161.09584	16.5
163.07588	12.7
163.11104	5.3
165.06984	10.9
165.09084	9.3
166.07774	9.5
167.08574	11.6
168.09309	14.3
169.10144	41.2
169.26016	4.4
170.10896	17.8
171.08037	7.5
171.11674	51.3
172.08810	9.2
173.06046	9.0
173.09645	29.0
173.13258	16.5
175.07587	16.4
175.11224	10.0
177.05482	7.2
177.09091	12.7
178.07640	5.1
179.07126	7.6
179.08566	12.8
180.09444	10.6
181.10130	18.6
183.08092	12.1
183.11699	100.0
184.07349	10.8
184.08847	5.6
184.12180	6.3
185.09595	21.0
185.13245	21.0
186.10291	5.5
187.07643	8.1
187.11174	19.8
189.05522	7.3
189.09178	9.7
191.10680	5.0
192.09373	8.0
193.10135	28.9
193.12102	7.3
194.10886	9.4
195.08138	6.2
195.11687	19.3
196.12329	4.3
197.09608	19.2
197.13249	11.2
199.11234	24.0
201.09152	10.7
201.12743	20.8
203.10748	6.1
205.10229	10.1
206.10933	17.7
207.11742	21.3
208.12361	6.1
209.09613	15.0
209.13287	20.9
210.10506	6.3
211.11215	19.2
213.09103	11.0
213.12775	12.7
215.10707	7.3
216.09494	6.0
217.10289	8.0
217.12158	7.8
218.10861	10.1
219.11737	14.3
220.12469	12.2
221.09724	5.7
221.13316	22.9
223.11234	10.1
223.14890	10.2
225.09152	7.7
225.12756	10.4
227.10555	6.4
229.10258	8.3
229.12276	16.7
230.10910	7.0
231.11707	18.9
231.13792	5.4
232.12480	14.2
233.13281	10.8
234.13899	7.7
235.11287	8.9
235.14911	9.4
237.12646	8.2
241.12352	6.3
243.11765	22.7
243.13913	8.7
244.12486	11.9
245.09523	5.8
245.13222	19.5
246.10188	5.8
246.14053	10.3
247.14784	12.6
248.11693	6.5
248.15668	4.8
249.12698	13.2
249.16290	8.1
251.14377	12.7
253.10120	7.2
255.11725	6.5
256.12619	6.3
257.13467	22.2
258.10455	5.4
258.14087	12.2
259.11133	9.4
259.14798	13.3
260.15491	8.4
261.12604	9.3
262.13303	5.0
263.10840	5.2
263.14313	12.2
263.17825	6.6
265.12131	8.5
269.13174	7.4
270.13785	10.8
271.11096	11.2
271.14651	6.2
272.11789	5.8
272.15512	6.2
273.12881	5.6
273.16437	15.9
275.14142	9.0
282.14142	5.6
283.14731	9.3
285.12833	8.2
285.16272	9.4
286.13452	7.3
287.14349	12.8
287.17725	7.2
288.15170	5.8
289.15942	5.2
291.13812	5.6
291.17288	4.8
299.14005	4.7
300.15005	6.1
301.12198	7.3
301.15982	16.1
303.13870	12.4
303.17398	7.2
305.15518	4.9
307.16965	5.3
311.14130	6.3
313.12274	9.3
314.13245	7.2
315.17435	20.0
317.15222	6.9
319.13504	6.7
319.16934	14.7
325.15848	6.6
329.15237	19.8
331.16919	6.2
333.18445	11.2
337.18179	8.6
343.16858	33.9
345.14774	4.9
347.16455	22.1
361.18091	42.8
363.15817	11.2
365.17392	12.4
371.16266	20.7
375.15714	5.0
377.17581	5.1
379.18915	14.4
389.17514	26.1
403.18872	8.4
407.18442	15.5
417.16721	6.8
421.20071	11.6
438.19669	5.1
439.21094	6.8
449.19574	5.7
630.35016	7.7
640.22107	4.6
645.28528	7.3
663.27551	18.2
680.29559	16.6
680.51294	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	680.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64689	4.6
51.74145	5.2
55.01867	15.4
55.05506	14.1
59.06124	6.6
60.05663	25.8
60.08164	47.8
62.70301	5.8
67.05502	21.5
69.03431	15.0
69.07098	7.9
69.59277	12.3
69.59689	28.3
70.06586	9.4
70.39594	5.5
71.04959	5.4
73.45125	5.2
75.71632	4.8
79.05511	27.6
81.03410	17.2
81.07048	23.5
83.04986	15.8
83.08617	8.2
85.02919	12.2
91.05489	35.3
93.07062	26.2
95.04968	25.6
95.08619	19.3
97.02885	7.1
97.06528	18.3
98.21415	10.6
100.07609	13.7
100.11252	14.9
103.05435	10.1
105.07045	40.6
107.04951	15.6
107.08604	23.2
109.06544	9.7
109.10158	7.6
111.04438	12.0
115.05421	7.5
116.07085	12.1
117.06990	9.9
119.08585	22.9
121.06508	19.5
121.10166	9.8
123.08075	5.7
128.06213	10.7
129.06979	21.9
131.04919	10.7
131.08575	37.1
133.06490	42.3
133.10136	11.5
135.08037	14.0
136.06154	8.9
137.05977	11.0
141.06995	7.0
142.07796	13.2
143.08577	41.5
145.06519	14.0
145.10135	19.2
147.08040	15.9
149.05962	17.4
149.09608	9.7
151.07567	10.0
155.08549	13.4
156.09389	33.8
157.06509	8.4
157.10193	40.8
158.07266	6.0
159.08057	34.8
159.11661	13.7
161.05983	55.9
161.09631	8.7
163.07571	7.7
165.07031	16.3
166.07756	15.3
168.09395	12.6
169.06512	7.9
169.10144	65.2
170.10789	6.6
171.08067	20.6
171.11697	42.3
173.09615	18.7
177.05568	10.6
179.07034	19.0
179.08546	13.9
180.09364	9.1
181.10135	42.4
182.10944	7.8
182.15388	23.4
183.08109	10.6
183.11707	36.4
184.08778	14.2
185.05995	14.9
185.09608	31.8
187.07481	7.6
187.11166	13.0
189.09109	17.9
193.10126	21.2
194.10841	6.8
195.06442	7.8
195.08073	8.4
195.11708	18.8
197.09631	100.0
197.13336	7.3
198.10312	6.8
199.07489	10.0
199.11169	65.2
201.09024	8.6
204.09407	5.9
205.10251	7.5
207.11665	17.8
209.09630	84.1
209.13411	6.5
210.14903	18.0
211.11192	37.5
213.09142	20.9
213.12794	12.3
215.10603	12.2
216.09253	7.1
217.08582	19.1
217.10362	11.7
218.10823	5.8
219.11801	10.4
220.12364	6.7
221.09816	11.1
221.13275	18.8
223.11215	14.8
224.57539	6.0
225.09103	17.2
225.12776	8.2
227.10635	83.9
229.10245	11.9
229.12309	24.5
231.13766	7.5
232.12398	15.0
233.09648	8.6
233.13260	12.1
235.11169	15.0
235.14934	11.7
237.09074	11.7
239.10701	10.4
239.14291	6.8
241.12296	12.1
243.09998	8.7
244.12369	9.3
245.09563	7.7
245.11591	10.6
246.10603	7.6
247.14882	14.1
249.09137	10.5
249.12848	7.4
249.16386	10.1
251.10683	7.7
251.14346	8.4
253.12375	6.0
255.09908	8.8
257.11682	12.5
258.10568	5.8
259.15097	7.9
261.12637	7.2
262.13535	9.0
263.14206	15.4
265.15915	9.2
269.11801	16.6
273.12671	7.0
275.10635	5.5
275.14297	21.8
277.12601	5.8
277.15884	13.4
287.12732	89.6
291.13947	7.3
293.15274	11.8
305.15268	21.9
317.15326	8.0
319.17059	7.6
321.14920	9.0
323.16449	16.6
329.13846	47.9
333.14871	10.5
337.17819	6.5
345.14792	9.3
347.16409	11.3
349.17981	11.2
351.14160	5.5
353.17566	24.5
357.14850	14.0
359.16327	12.2
365.17511	8.0
367.19211	6.7
375.15775	18.1
377.17679	6.3
383.18729	8.3
387.15927	12.3
389.15967	38.9
393.16885	10.5
405.16815	16.9
411.17831	12.0
415.15710	7.7
417.16895	7.2
423.17697	12.1
432.33411	6.1
435.17914	11.7
447.17764	11.0
453.18991	21.9
465.19217	17.2
467.21094	8.2
483.20163	18.2
485.21796	18.6
545.23883	7.9
567.21875	13.2
585.22815	13.8
627.23633	10.0
680.26538	8.0
680.36707	17.0
680.49725	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	679.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01870	10.2
55.05515	60.8
62.73397	1.5
65.03934	1.8
67.05523	2.7
69.03413	2.8
69.07076	1.8
70.73764	3.5
70.74133	3.0
79.05491	5.7
81.03418	5.6
81.07067	3.8
83.04984	100.0
88.92511	1.7
91.05491	15.3
93.07045	6.3
95.04991	7.6
103.05475	7.1
104.05733	1.6
105.04504	1.5
105.07052	11.0
107.04952	4.3
107.08562	2.7
109.06488	2.8
115.05435	8.1
116.06176	2.3
117.07032	12.8
119.08594	18.9
121.06527	2.7
128.06219	6.1
129.07011	11.3
131.04918	12.7
131.08585	12.2
132.05286	1.4
133.06468	1.9
133.10118	9.4
135.08037	2.0
141.06895	1.7
142.07803	5.8
143.08582	12.5
144.05769	2.1
145.06490	12.5
145.10146	13.9
147.08047	43.4
147.11676	1.9
148.08464	1.9
149.09612	6.3
153.06947	1.6
155.08583	6.2
156.09387	9.8
157.10143	20.1
158.07298	2.3
159.08070	28.3
159.11720	5.4
160.08415	2.0
161.09624	25.5
162.10052	2.3
163.07579	5.5
163.11182	3.9
165.06993	2.2
167.08618	1.7
169.06354	1.7
169.10126	7.4
170.10857	6.6
171.08055	6.6
171.11696	36.7
172.12071	2.5
173.05998	4.5
173.09630	15.9
173.13205	2.2
175.07567	7.4
175.11154	2.4
181.10133	5.0
183.08015	2.5
183.11699	16.8
184.08913	1.8
185.09630	13.5
185.13266	23.3
187.07536	2.2
187.11214	4.9
189.09007	2.4
189.12711	1.9
193.10114	2.9
195.11702	5.9
197.09627	6.0
197.13287	5.1
199.11205	13.5
201.09088	2.1
201.12735	2.2
205.10216	2.6
205.12141	1.8
206.10832	1.8
207.11688	4.4
209.09631	2.2
209.13310	3.5
211.11217	6.1
213.09325	2.0
213.12750	25.1
215.10565	3.6
216.09341	2.6
217.10124	2.4
217.12163	2.3
219.11609	2.7
221.13379	2.6
223.11214	3.4
224.12068	2.0
227.10666	3.0
229.12241	7.3
231.13849	3.7
232.12347	2.1
233.09746	2.6
233.13274	1.8
235.11139	1.8
237.12740	2.7
239.10696	3.4
241.12265	5.6
242.11017	2.3
243.11684	3.0
243.13924	5.0
244.12550	2.8
245.13318	2.1
245.15387	23.6
247.11200	1.9
249.12802	2.9
249.16348	1.7
251.14481	3.0
255.13849	4.4
259.11057	3.5
259.13382	5.9
260.11868	2.4
261.12701	3.8
263.14346	2.5
269.13199	2.7
271.15021	3.4
273.12354	3.0
273.14920	13.6
275.14508	2.9
276.14417	2.1
279.14017	1.7
283.11066	2.1
283.14896	2.9
285.12622	3.7
286.13510	2.1
287.14316	4.6
288.14938	1.8
297.12793	4.5
298.13586	2.1
299.14630	2.8
299.18173	2.5
300.15076	2.2
301.15811	4.8
311.14249	2.6
312.14966	3.1
313.15823	4.1
315.17435	6.1
317.15518	1.7
317.19006	4.0
326.16632	4.2
327.13995	2.5
327.17517	12.7
328.18359	1.7
329.15439	4.6
329.19086	3.2
331.20557	2.8
341.15417	2.0
341.18854	10.0
345.18488	7.3
354.16040	2.5
357.18393	6.4
359.20163	9.0
361.17905	4.3
369.18430	12.2
376.20053	3.0
387.19629	19.3
389.20920	7.7
391.22638	8.0
401.21140	16.9
405.20929	2.2
407.22177	2.6
408.22498	4.4
411.21750	1.7
419.22162	30.1
435.21866	2.6
436.21988	4.3
437.23386	1.9
447.21756	5.0
461.23410	2.9
479.24335	12.2
496.24362	2.7
501.26111	2.6
561.28180	2.8
579.29254	5.6
661.33514	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	679.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01877	8.3
55.05515	53.8
65.14559	1.3
69.03429	2.3
69.07070	2.5
69.25896	5.7
69.26319	7.6
79.05499	3.1
81.03402	4.4
81.07028	2.0
83.04986	100.0
91.05490	17.1
93.07034	6.0
95.01291	1.9
95.04961	5.4
95.08588	1.7
96.80031	1.4
97.06451	1.6
103.05458	4.6
105.03378	4.1
105.07053	9.3
107.04935	4.2
107.08576	3.1
109.06515	2.5
115.05469	6.7
116.06232	1.8
117.07032	8.7
119.04942	1.3
119.07893	1.5
119.08601	14.9
121.06487	3.0
128.06221	6.1
129.07004	10.5
130.07825	2.4
131.04961	6.3
131.08589	10.7
132.05255	1.4
133.06557	1.6
133.10147	11.2
135.08067	2.0
141.06998	5.7
142.07788	6.8
143.08580	8.9
145.06494	8.5
145.10130	10.4
147.06941	2.3
147.08061	45.2
149.09602	5.3
153.29233	1.4
154.07787	3.2
155.08531	5.1
155.30333	1.6
156.09338	7.6
157.06471	1.5
157.10114	21.5
158.07166	1.5
159.08058	31.1
159.11719	4.4
161.09619	28.9
163.07555	7.4
163.11163	3.8
167.08588	2.2
168.09299	2.2
169.10124	7.8
170.10872	4.9
171.08070	6.9
171.11690	29.6
173.06006	2.5
173.09647	12.8
173.13237	2.1
175.07590	9.3
179.08537	3.0
180.09323	1.5
181.10106	4.1
182.10791	1.5
183.08015	3.6
183.11702	17.3
184.08871	3.7
185.09666	11.0
185.13257	22.5
187.11159	4.5
189.09160	1.6
191.10741	1.8
193.10170	2.7
194.10956	2.1
195.08128	1.6
195.11739	7.3
197.09666	6.9
197.13287	3.8
198.10332	1.9
199.11186	13.1
200.11884	2.2
201.09146	3.7
201.12744	1.9
203.10684	1.7
205.12244	2.8
207.11652	3.8
209.09645	4.1
209.13301	1.8
211.11185	5.5
213.09206	2.9
213.12778	26.3
215.10680	2.1
217.12210	2.1
221.09628	1.5
221.13316	2.1
223.11272	4.8
225.12700	2.9
227.10631	2.6
229.10234	2.3
229.12186	6.7
231.13777	5.1
233.09665	1.8
233.13353	2.7
235.11298	2.4
235.14905	1.9
237.12720	4.0
239.10728	3.0
241.12314	6.9
243.11685	3.1
243.13843	5.0
244.12383	2.4
245.13280	1.3
245.15399	19.3
247.14890	2.5
249.13014	2.0
249.16159	1.6
255.13852	4.6
256.12411	2.4
257.13409	2.0
259.10995	2.7
259.13379	5.1
261.12640	2.7
263.14386	2.2
264.08258	1.5
265.12180	1.9
269.13171	3.0
270.10385	1.5
270.13907	1.5
271.14651	1.7
272.11987	2.1
273.14835	15.9
275.14200	2.5
277.16031	2.1
283.11121	2.0
283.14630	1.9
285.12634	2.9
286.13528	3.5
287.14334	3.2
297.12631	5.1
298.17166	1.4
299.14200	5.3
300.14981	1.8
301.15848	5.1
302.16757	1.7
303.13715	2.1
303.17297	2.3
311.14139	3.5
312.15039	4.7
313.15765	4.1
314.13165	2.0
314.16531	1.8
315.17432	6.1
317.15466	2.3
317.18982	5.1
326.16638	2.4
327.13812	2.1
327.17374	10.2
328.14609	1.6
328.18152	2.6
329.15283	7.0
329.18732	2.4
339.13657	1.8
341.19043	8.3
345.18591	7.7
354.16080	2.8
357.18414	6.8
359.20120	8.8
361.17801	4.0
369.18387	15.7
375.19687	2.3
387.19522	19.0
389.21231	7.3
391.22751	6.8
401.21167	21.0
419.22226	28.0
437.23224	2.3
447.21475	4.1
461.23538	2.7
479.24295	9.7
487.24908	2.3
519.27386	1.7
547.26721	2.0
579.29114	4.0
661.33209	5.3
668.97565	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01876	8.6
55.05515	57.6
67.05489	1.8
69.03423	1.1
69.07071	2.2
69.42500	6.6
79.05492	3.9
81.03419	5.5
81.07072	2.6
83.04985	100.0
90.11602	1.0
91.05481	13.4
93.07040	3.3
94.43501	1.0
95.04990	4.7
95.08602	1.8
102.04643	0.9
103.05515	4.7
104.05802	1.0
105.07034	9.3
107.04969	4.0
107.08569	2.6
109.06534	2.4
115.05449	4.9
116.06246	1.7
117.07022	8.8
119.04980	1.1
119.08587	17.0
121.06493	2.8
128.06250	5.0
129.07034	10.4
130.07758	2.6
131.04944	5.4
131.08569	11.1
132.05362	1.4
133.06496	2.2
133.10158	11.5
135.08035	1.5
141.06985	3.8
142.07764	5.9
143.08571	12.7
144.05664	1.1
145.06467	10.4
145.10130	9.9
146.07277	1.3
147.08051	40.4
149.09639	3.8
152.06230	1.0
153.07014	1.4
154.07756	2.0
155.08522	5.5
156.09367	7.9
157.06525	1.2
157.10138	18.7
158.07274	2.3
159.08069	26.2
159.11713	3.5
161.09622	29.0
163.07544	7.5
163.11186	2.7
165.06987	2.2
167.08583	1.1
168.09247	1.2
169.10117	6.6
170.10905	3.6
171.08078	5.2
171.11694	30.7
173.05934	2.9
173.09625	15.1
175.07553	6.8
175.11179	1.9
179.08620	0.9
179.52954	0.9
180.09357	1.4
181.10112	3.7
181.14514	1.0
182.10887	1.2
183.08067	3.4
183.11691	16.7
184.08803	1.6
185.09642	9.8
185.13258	23.8
187.07596	3.0
187.11209	4.2
189.09128	2.8
191.10532	1.5
193.10173	1.9
194.10890	1.2
195.11679	5.5
196.12390	1.2
197.09636	5.7
197.13286	5.4
198.10309	2.5
199.11183	14.0
201.09177	2.6
201.12758	3.1
205.12103	2.0
206.10954	1.7
207.11716	3.2
209.09641	2.4
209.13301	1.3
211.07738	1.3
211.11230	4.6
213.09158	2.6
213.12746	22.1
215.10629	3.4
216.09299	1.4
217.10196	1.3
217.12164	1.3
218.10849	1.2
219.11749	2.2
220.12546	1.8
221.13297	3.2
223.11197	3.7
223.14836	2.3
225.09064	1.1
225.12762	2.1
227.10779	2.0
229.10201	1.7
229.12267	5.8
230.10831	2.0
231.10013	1.4
231.13811	4.5
232.12428	1.8
233.09668	1.5
233.13441	1.9
234.36731	1.1
235.11133	1.9
236.12090	1.2
237.12715	2.7
239.10588	2.1
241.12321	5.6
243.11679	1.9
243.13808	4.9
244.12477	2.3
245.13269	2.6
245.15405	22.1
247.11153	1.2
249.12744	1.9
251.14310	1.3
255.13943	4.8
256.12384	1.4
257.13257	3.5
257.15598	1.3
259.10999	2.2
259.12985	5.2
260.12042	1.4
261.12704	2.6
263.14178	2.3
268.12341	1.5
269.13107	2.7
270.10635	1.2
271.11035	2.1
272.12009	2.2
273.12747	1.7
273.14896	15.2
274.13437	1.7
275.14221	2.3
277.12381	1.6
277.15692	1.0
279.13794	1.6
283.11371	2.2
283.14728	2.9
284.15500	1.1
285.12689	2.8
285.16312	1.0
286.13620	2.5
287.14313	3.2
289.15750	2.1
297.12845	4.6
297.16144	1.3
298.13599	1.9
298.17279	1.1
299.14331	2.9
299.17670	1.3
300.15036	2.8
301.15845	4.0
302.16666	1.1
303.13843	2.4
303.17438	1.6
303.77127	1.1
311.14325	3.6
312.15030	2.9
313.12329	1.6
313.15753	4.1
314.13095	1.7
315.13806	1.2
315.17407	4.1
317.19016	4.7
325.12302	1.3
326.16641	2.6
327.13782	2.3
327.17422	10.8
328.14618	1.3
328.18234	2.4
329.15283	5.3
329.18930	3.2
331.17017	1.0
331.20630	2.7
339.13708	1.7
340.14438	1.4
341.19080	9.8
345.18243	6.9
354.16068	2.8
357.18417	4.9
359.16458	1.0
359.20114	7.3
361.17957	3.9
369.18552	15.9
375.19550	1.3
377.21048	1.5
387.19519	17.8
389.21063	7.6
391.22806	6.8
401.21158	18.6
405.20367	1.5
419.22177	29.5
437.23050	1.8
447.21924	4.7
461.23346	2.9
469.23825	2.3
479.24341	12.7
501.26462	1.7
519.27039	1.4
547.27026	2.1
561.28711	1.3
565.27612	1.9
579.29486	8.1
580.90155	1.2
647.32471	2.3
661.33478	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	679.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01869	7.8
55.05515	54.2
67.05487	4.4
69.03431	1.9
70.58022	3.0
70.73904	1.1
77.49683	1.2
79.05521	6.0
79.05894	1.3
81.03413	5.6
81.07040	3.2
83.04989	100.0
89.99012	1.3
91.05064	1.3
91.05496	14.2
91.92830	1.1
93.07034	5.4
95.04958	4.0
95.08599	2.3
103.05476	2.3
105.07032	11.1
107.04945	3.8
107.08570	4.2
109.06496	1.9
109.10219	1.2
115.05492	6.7
116.06187	2.5
116.65733	1.3
117.07026	10.9
119.04974	1.8
119.08586	15.7
121.06529	3.5
121.10187	2.0
128.06235	5.3
129.07008	9.8
130.07799	1.6
131.04857	1.5
131.08592	10.0
133.06480	1.4
133.10155	12.6
135.08031	1.5
141.06984	3.0
142.07785	5.6
143.08588	12.0
145.06480	10.0
145.10114	9.1
145.80904	1.2
147.08057	41.0
147.11667	1.7
149.09616	3.6
153.07025	1.9
154.07825	1.4
155.08575	3.8
156.09380	7.4
157.06450	1.8
157.10139	15.8
158.07283	2.1
159.08070	24.4
159.11684	3.8
161.09644	19.3
163.07530	6.7
163.11192	2.4
165.07043	2.1
166.07829	1.4
167.08571	3.5
169.10146	9.9
170.10916	5.4
171.08043	5.7
171.11710	28.6
172.08812	1.5
173.05995	2.1
173.09633	12.2
173.13232	1.4
175.07555	6.3
175.11179	2.3
179.08543	2.6
180.09343	3.3
181.10078	3.5
182.11037	2.1
183.08113	2.4
183.11720	18.9
185.09682	8.6
185.13277	21.9
187.07544	2.1
187.11145	3.9
189.09151	2.3
191.08379	1.3
193.10172	1.4
195.11707	7.2
197.09608	5.1
197.13287	4.7
198.10373	3.0
199.11217	14.1
200.12029	1.5
201.09155	2.8
201.12740	2.9
203.10701	1.8
205.12180	2.2
206.10959	1.7
207.11668	4.1
209.09608	1.8
209.13351	1.9
211.11183	4.2
213.09280	3.0
213.12764	22.1
215.10667	1.8
215.14401	1.3
217.12325	1.8
219.11642	2.8
221.13400	2.6
223.11198	4.6
225.12852	2.6
227.10683	1.5
229.10156	1.5
229.12184	3.4
231.11873	2.4
231.13815	2.9
232.12596	1.8
233.09654	2.0
233.13316	2.8
235.11163	1.3
237.12701	2.8
239.10725	2.8
241.12251	5.7
243.11571	3.7
243.13896	3.8
244.12453	3.1
245.11653	2.0
245.15401	19.0
247.11211	2.8
247.14844	2.1
249.12688	1.8
251.14386	2.2
255.13870	4.0
257.13300	1.8
258.14035	1.6
259.11020	1.9
259.13278	2.8
260.12228	1.6
261.12677	2.2
269.13092	3.3
271.11111	1.9
272.11957	2.3
273.12573	1.7
273.14890	13.9
275.14352	2.5
277.12265	2.5
283.11142	2.2
283.14697	2.5
284.11987	1.6
284.15433	1.5
285.12753	3.2
286.13449	2.1
287.14261	3.6
289.15897	2.4
297.12701	4.6
297.15964	1.6
298.13513	2.5
299.14349	2.2
299.17929	1.7
300.15015	1.3
301.15881	5.3
311.14081	2.6
312.15079	4.6
313.15970	4.4
314.12979	2.0
315.17413	3.6
317.15524	1.4
317.18942	4.6
325.12195	2.1
326.16672	2.7
327.13898	2.3
327.17319	9.0
328.14731	1.7
328.18243	1.8
329.15335	4.2
329.18942	2.8
331.16705	1.7
331.20581	2.4
333.16925	1.9
339.13486	2.3
341.19046	9.5
343.16995	1.8
345.18521	4.8
351.17252	1.3
355.19650	1.5
357.18478	5.1
359.20117	6.9
361.17899	3.1
369.18491	10.2
387.19601	14.5
389.21030	4.5
391.22617	4.8
401.21121	19.3
411.21567	1.8
419.22198	24.9
437.23038	3.1
447.21674	3.1
461.23282	2.1
469.23642	1.5
469.96838	1.8
479.24368	10.1
481.01096	1.4
519.27570	2.1
547.26373	1.8
561.28271	1.8
565.27942	2.2
579.29529	4.5
647.32422	2.6
661.33337	5.3
679.30603	8.7
707.26196	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.6
53.60583	4.9
54.18063	4.6
54.98705	5.3
55.01865	5.6
55.05511	63.8
63.80199	4.2
65.03935	7.1
67.05504	16.3
69.07059	10.5
70.06516	20.6
71.04977	4.6
71.28667	4.6
79.05490	22.8
81.07042	17.8
83.04982	100.0
91.05493	38.3
93.07037	26.9
95.04947	14.3
95.08598	17.5
97.06522	7.0
103.05473	36.9
105.03401	37.9
105.04612	4.9
105.07027	52.1
106.03720	6.0
107.04955	9.3
107.08595	26.4
109.06506	15.7
115.05440	9.7
117.07021	16.6
119.04969	13.1
119.08582	43.4
121.06509	16.5
121.10103	13.4
123.08069	7.7
128.06201	12.6
129.07016	15.6
131.04921	64.1
131.08511	24.3
132.05180	10.9
133.06520	23.8
133.10121	34.1
135.08020	18.9
137.09720	4.9
142.07750	9.6
143.08577	37.2
145.06451	19.9
145.10149	39.0
147.08051	29.3
148.95917	5.8
149.09621	16.1
154.07841	8.9
155.08571	19.4
156.09360	24.8
157.06459	8.9
157.10161	48.4
159.08038	19.4
159.11699	19.2
161.05989	21.4
161.09596	21.5
163.07513	10.0
163.11209	9.0
165.06886	8.6
165.09088	9.1
167.08565	12.7
169.10147	42.6
170.10899	18.3
171.08086	19.1
171.11678	83.1
173.05997	6.8
173.09659	29.3
173.13281	9.7
175.07530	17.9
175.11182	6.4
177.05589	5.3
177.09117	9.4
179.07092	8.7
181.10146	13.9
183.08063	5.7
183.11705	75.5
184.12454	6.8
185.09647	24.8
185.13261	79.4
186.13673	5.9
187.07556	10.9
187.11163	17.9
189.05435	7.8
189.09181	8.5
191.10727	9.3
193.10097	17.7
193.11833	5.0
195.11716	24.4
197.09641	15.0
197.13240	24.2
198.10411	9.6
199.07648	6.3
199.11214	45.6
200.11891	5.8
201.09123	12.0
201.12767	16.0
206.10939	11.0
207.11688	16.6
209.09737	7.4
209.13255	13.8
211.11192	27.6
211.14853	6.7
213.09322	8.8
213.12762	94.1
215.10730	9.0
215.14241	9.7
217.10225	8.9
217.12041	9.9
219.11655	13.4
220.12480	10.6
221.13252	17.8
223.11156	21.3
223.14606	8.6
225.09261	5.5
225.12740	11.4
229.12212	16.5
230.10974	6.2
231.11723	15.1
231.13849	20.5
232.12398	9.9
233.13255	20.2
235.11203	7.1
235.14828	12.8
237.12752	8.8
239.10963	7.4
241.12254	14.5
243.11790	9.7
243.13867	15.3
244.12466	7.4
245.13193	16.7
245.15424	27.9
246.13864	8.5
247.11139	15.2
247.14992	10.6
249.12730	10.1
249.16551	9.7
251.14467	6.2
251.17896	6.4
255.13783	8.4
256.12524	6.0
257.13379	6.2
257.15567	9.6
258.13947	9.7
259.14899	12.3
260.15506	11.3
261.12625	6.2
261.16376	22.9
262.13474	7.4
263.14288	10.4
265.15366	5.5
269.13278	7.7
270.13861	5.8
271.14978	7.0
272.12094	6.0
272.15405	5.3
273.12424	8.8
273.14804	36.7
275.14322	10.1
275.17813	12.1
277.16034	11.8
279.17264	6.4
283.14590	6.1
285.12811	7.6
285.16342	12.0
287.14383	9.6
288.14978	6.2
289.15884	12.6
291.16141	16.2
293.18994	7.1
295.16928	12.0
297.12671	6.5
299.14377	9.4
299.17581	6.0
301.15909	10.9
303.17517	19.0
307.16827	9.6
313.15771	14.7
315.13791	10.7
315.17285	6.8
317.15381	13.1
317.18979	10.6
318.15967	5.7
319.16873	13.4
321.18488	14.1
325.21829	7.5
327.17346	9.2
329.15198	7.9
331.16904	23.0
333.18530	8.4
335.16403	8.6
335.20071	11.9
341.14807	7.8
342.75992	5.5
345.18466	16.7
349.18039	20.3
351.19250	9.9
353.21075	20.9
355.17047	7.1
359.16351	14.4
361.18008	13.2
363.19467	19.1
373.18045	30.9
375.19647	7.8
377.17340	19.2
381.20407	7.1
387.19290	7.7
391.19089	30.7
395.18057	8.6
401.17529	16.7
403.18509	8.4
405.20505	14.9
409.19949	38.4
411.21799	9.4
415.18628	7.5
419.18652	34.6
421.19736	6.6
423.21625	16.3
427.21158	12.7
433.19955	23.5
437.19489	17.3
441.22415	11.4
451.21228	52.8
469.22284	47.3
479.20673	7.1
483.23486	9.2
487.23410	41.4
493.22256	8.0
497.21490	7.0
501.24402	6.0
511.22986	10.0
529.24139	9.1
551.26190	7.9
569.27094	13.7
586.15906	6.6
611.28546	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	679.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.2
55.01885	5.5
55.05275	5.9
55.05517	54.7
55.97078	4.6
66.25394	4.6
67.05505	11.3
69.03423	5.5
69.07082	6.8
70.99574	10.1
79.05482	15.6
81.03413	5.1
81.07059	17.4
82.31259	4.9
83.04982	100.0
85.02921	6.6
91.05482	29.3
93.07048	23.5
95.04978	11.1
95.08611	22.0
97.06525	5.9
103.05462	16.9
105.03397	27.3
105.07037	38.7
107.04971	10.5
107.08610	17.2
109.06510	10.9
115.05470	5.4
117.07024	15.1
119.04922	9.3
119.08564	34.9
121.06521	13.1
121.10159	6.5
129.07024	10.9
131.04947	26.2
131.08585	17.5
133.06520	17.6
133.10175	26.9
135.08046	12.9
137.05946	5.6
141.07025	5.9
142.07822	11.0
143.08540	23.1
145.06485	12.1
145.10121	20.3
147.08067	22.3
149.05995	8.9
149.09674	10.6
155.08537	10.5
156.09326	15.4
157.10139	42.2
159.08070	10.4
159.11717	14.2
161.06001	15.5
161.09599	12.2
163.07504	6.3
165.09120	5.7
168.09360	6.8
169.10141	19.1
170.10866	16.3
171.08115	13.7
171.11731	57.4
173.09644	16.1
175.07629	9.7
177.09102	7.9
183.08029	5.4
183.11710	52.1
184.12074	5.4
185.09647	15.6
185.13257	44.6
186.10431	5.8
187.07579	9.3
187.11147	12.1
189.07152	5.9
189.09119	5.8
191.07033	6.2
192.09348	5.5
193.10127	7.6
195.11752	11.4
197.09612	10.1
197.13261	19.0
198.10461	9.7
199.07553	7.5
199.11124	28.6
201.09076	6.3
201.12691	9.8
206.10854	9.4
207.11722	13.8
208.12440	6.7
209.09734	8.7
209.13324	9.8
211.11220	19.3
213.12778	47.3
215.10733	9.4
217.10248	7.2
217.12271	5.4
219.11758	11.0
221.13271	12.6
223.11247	13.2
225.12801	9.1
228.30046	5.2
229.10002	5.2
229.12199	14.0
231.11693	15.7
231.13789	11.5
233.13284	17.8
234.14046	10.2
235.14815	10.4
237.12726	11.6
241.12201	16.5
243.13896	9.2
244.12355	7.3
245.13382	10.3
245.15451	19.1
246.10234	6.4
246.14003	10.1
247.11253	6.6
247.14766	17.4
249.12834	8.2
251.14384	10.4
255.11505	8.9
258.14069	7.5
259.15018	8.2
260.15750	6.8
261.12668	7.1
261.16324	17.8
263.14279	9.1
270.14133	9.7
271.14920	10.9
273.12424	7.5
273.14978	9.0
273.16608	5.3
275.14182	7.0
275.17972	9.3
277.15854	7.6
279.17340	7.6
284.15469	6.4
285.12650	8.6
285.16351	7.5
287.14398	9.1
289.15952	8.8
291.16223	5.1
299.14175	12.6
300.15103	6.4
301.15823	10.9
303.13861	5.2
303.17334	10.7
305.15289	5.6
307.16699	6.3
313.15891	8.6
319.17004	10.2
321.18512	15.5
329.15286	9.2
331.16931	10.4
335.16348	9.5
341.15259	5.5
345.18573	15.4
349.18011	12.0
351.19617	9.6
353.21167	7.0
359.16611	8.5
361.17920	6.5
363.19501	13.7
373.17850	21.6
377.17471	13.7
379.19034	7.7
381.20599	7.5
391.19089	25.3
393.20862	5.6
401.17526	10.2
405.20547	8.6
409.20105	25.8
409.66849	6.0
419.18564	15.2
423.21149	9.4
427.20734	10.3
433.20215	16.8
437.19647	13.8
451.21133	31.1
465.22726	11.0
469.22379	27.8
483.23502	6.1
487.23181	15.8
489.53821	6.3
497.21664	7.3
511.23083	7.8
628.60480	5.8
679.33661	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	679.332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	7.2
52.00054	5.0
54.26638	5.5
55.01854	6.0
55.05512	76.0
67.05493	15.7
69.03419	8.9
69.07072	10.7
71.01338	5.9
71.04989	5.8
79.05493	29.2
81.03383	5.7
81.07061	26.0
83.04986	100.0
85.02910	8.1
91.05478	37.7
93.07039	45.7
95.04981	16.9
95.08589	21.8
97.06525	9.6
100.11237	10.1
103.05466	36.8
105.03397	33.8
105.07037	50.5
107.04945	14.7
107.08591	21.8
109.06517	17.1
111.04478	8.1
115.05448	13.6
117.07021	18.9
119.04914	11.7
119.08584	52.1
121.06516	15.6
121.10146	13.2
123.04441	14.2
123.08025	6.4
128.06207	9.0
129.07013	12.9
131.04935	78.0
131.08578	31.7
132.05315	8.7
133.06487	23.0
133.10147	31.7
134.84137	4.8
135.04434	13.4
135.08041	20.6
137.36842	4.7
141.07028	10.0
142.07762	12.1
143.08595	27.3
145.06511	20.8
145.10162	28.4
147.04341	9.6
147.08047	17.2
147.11649	7.4
149.05925	6.5
149.09613	13.2
151.07462	7.0
155.08540	18.1
156.09290	14.3
157.10139	46.0
159.08064	27.8
159.11702	20.8
161.05971	22.2
161.09621	15.7
162.01088	5.0
163.11203	10.5
165.06889	7.0
167.08557	9.9
169.06532	7.4
169.10132	33.2
170.10915	19.2
171.08084	19.1
171.11702	80.0
172.11955	6.8
173.09644	28.0
173.13293	15.1
175.07536	12.2
177.05539	5.8
177.09023	9.3
179.07097	9.1
179.08600	8.1
181.10167	17.2
183.08177	7.7
183.11682	73.9
185.09607	19.2
185.13280	56.1
187.07411	5.9
187.11201	21.7
189.09108	9.5
189.12703	8.5
191.10793	6.9
192.09178	6.5
193.10069	15.2
195.08142	5.9
195.11723	27.8
197.09552	14.2
197.13263	21.3
198.10313	9.7
199.11189	32.5
200.11885	9.5
201.12808	14.1
205.10139	8.4
205.12202	5.6
206.10887	7.8
207.11732	22.8
208.12282	9.1
209.09697	11.4
209.13214	17.3
209.16417	9.2
210.10301	7.5
210.15039	6.1
211.11189	27.0
213.12761	70.6
214.13164	6.5
215.10637	9.3
217.10208	10.8
217.12091	8.6
219.11789	14.1
220.12404	16.1
221.13258	24.1
223.11252	13.1
223.14740	15.3
225.12727	12.8
229.12178	17.6
230.10913	7.0
231.11745	15.9
231.13808	13.1
232.12344	15.2
233.13266	16.4
234.14046	6.3
235.11237	8.1
235.14857	14.6
236.11888	6.4
237.12772	13.1
237.16367	14.1
239.10629	7.2
239.14169	9.4
241.12334	12.3
243.11766	10.1
243.13834	16.4
244.12447	7.0
245.13327	11.9
245.15375	27.6
246.10187	6.2
246.14044	12.2
247.14746	17.7
249.12775	12.6
249.16484	11.6
251.14284	14.5
255.11705	6.5
255.13951	6.9
257.13373	8.1
258.14059	16.0
259.13184	5.7
259.15088	11.0
260.15707	11.1
261.12668	15.4
261.16357	19.3
263.14279	8.9
263.18143	11.6
265.12320	8.5
270.14087	14.3
271.14774	10.5
273.12411	6.1
273.14706	26.9
275.14526	11.2
275.17764	15.5
276.14896	7.4
277.15726	12.7
279.17371	10.5
283.10934	7.4
285.12610	9.3
285.16455	8.8
286.13251	6.1
287.14243	15.3
288.15103	10.5
289.15790	21.6
291.17453	15.4
293.15436	7.5
293.18964	10.2
295.16919	7.1
297.12570	8.9
299.14008	7.1
301.12463	6.9
301.15970	15.8
303.17511	14.9
307.16779	7.7
313.15805	11.0
315.17642	7.0
317.15332	14.3
317.18854	6.2
319.16794	18.3
321.18512	13.7
327.17282	9.9
329.14984	9.1
331.16840	17.1
333.14621	7.3
333.18344	13.1
335.16370	8.0
335.20053	17.3
343.16919	13.2
345.18451	15.5
347.16254	12.5
349.18011	12.9
351.19485	11.8
353.21222	14.8
355.16949	14.9
359.16367	19.1
361.18005	10.6
363.19516	11.8
365.17624	7.4
371.22183	7.1
373.17984	26.9
377.17337	19.8
379.19037	13.0
383.16220	8.1
389.17502	12.8
391.18872	26.7
401.17499	15.3
403.18860	9.4
405.20615	14.9
407.18524	8.9
409.20215	25.6
411.21741	10.6
415.18903	10.4
419.18503	14.3
423.21414	15.5
427.21341	11.5
433.20056	18.3
437.19733	14.8
439.20764	8.1
449.19693	8.9
451.21017	38.5
467.20828	9.5
469.22275	34.8
483.23245	8.0
487.23355	40.6
493.21912	5.7
501.24380	6.4
515.22095	5.9
529.24377	7.2
547.25562	6.2
569.27179	7.0
576.92407	6.0
590.74976	6.8
611.28900	7.6
661.28967	6.4
674.69720	6.5
679.31256	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33063	0.5
50.53351	0.5
53.39114	0.5
54.84452	0.5
55.01849	0.4
69.18471	4.5
69.18873	1.0
88.12722	0.5
98.20799	1.1
104.42012	0.5
105.07013	0.7
119.08605	0.8
121.10146	0.5
133.10141	0.8
143.08562	0.7
145.06537	0.9
145.86566	0.6
147.08032	0.8
159.11835	0.6
161.09717	0.7
169.10152	0.5
170.10968	0.8
171.11717	0.8
173.09564	0.7
179.06705	0.6
185.13403	1.6
197.13231	0.6
213.12732	3.1
217.08531	0.6
231.10228	0.7
266.10855	0.5
273.14572	2.9
291.16049	1.1
313.14240	0.9
315.15866	0.8
331.15335	1.8
359.14700	2.3
375.17682	4.2
459.21600	1.4
519.23553	0.8
559.26013	0.6
601.28131	0.7
619.28784	100.0
620.29120	2.5
679.31042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
55.05511	2.4
66.54370	0.5
67.05516	1.1
69.03437	0.8
71.55145	0.9
71.55541	0.7
78.39920	0.6
79.05479	0.9
81.03422	1.1
81.07082	1.2
83.04984	4.4
91.05470	2.6
93.07066	2.2
95.04974	1.1
95.08611	0.8
103.05521	1.3
105.07051	2.1
107.08617	1.1
115.05495	0.6
117.07020	1.6
119.05060	0.5
119.08579	3.3
121.06512	0.5
121.10134	0.7
128.06209	0.6
129.07050	1.4
131.04942	2.1
131.08583	1.7
133.10167	1.9
135.08067	0.8
142.07861	0.5
143.08635	1.5
145.06537	1.2
145.10168	1.7
147.08105	1.9
149.09644	1.5
155.08559	0.8
157.10173	1.5
159.08066	1.8
161.09676	2.7
167.08682	0.5
169.10168	1.9
171.08098	0.7
171.11745	2.4
173.09665	2.2
183.08115	0.7
183.11786	1.9
185.09685	1.7
185.13261	1.3
195.11787	0.9
197.13243	0.7
199.11217	1.5
207.11789	0.8
211.11223	0.7
213.12747	4.0
221.13274	1.1
259.13144	0.6
273.15033	1.7
281.11694	0.8
291.18210	0.6
348.96854	0.5
364.14505	0.6
459.21588	1.3
482.31952	0.7
519.23535	1.1
536.52258	0.5
579.25482	3.7
601.27795	0.8
619.28979	2.6
661.30017	1.2
679.30920	100.0
680.31213	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	3.0
53.03948	9.7
54.09675	1.1
55.01872	3.0
55.05512	7.2
67.05500	3.5
68.48968	1.3
68.99744	1.2
69.03429	2.2
69.07063	1.6
77.03951	3.6
79.05500	7.3
81.03419	3.5
81.07055	5.3
83.04981	12.9
83.51314	1.1
85.02917	1.3
91.05476	11.4
93.07046	9.7
95.04977	13.4
95.08617	6.8
97.02911	1.3
97.06506	2.0
103.05470	5.3
105.03397	100.0
105.04541	4.2
105.07039	15.1
106.03702	1.6
107.04956	2.0
107.08588	4.5
109.06539	4.0
109.10116	1.7
111.08118	1.9
115.05467	2.1
117.07025	5.8
119.08593	15.9
121.06497	3.4
121.10118	2.5
123.08066	1.5
128.06197	2.8
129.07030	4.3
131.04941	10.8
131.08566	8.7
132.05309	1.2
133.06479	4.7
133.10130	10.5
135.08035	4.2
135.11693	1.3
141.07004	2.8
142.07832	2.6
143.08565	7.8
145.06474	5.3
145.10123	7.4
147.08058	9.0
149.06059	1.6
149.09637	6.1
151.07568	2.0
153.06984	1.9
154.07861	1.3
155.08568	5.6
156.09407	6.0
157.06480	2.5
157.10159	11.4
159.08063	5.4
159.11688	3.7
161.05989	3.8
161.09627	5.4
163.07556	2.9
165.06972	1.4
165.09247	1.7
167.08542	2.0
168.09392	1.7
169.04944	3.1
169.10123	10.0
170.10904	4.7
171.08043	3.5
171.11697	19.8
173.06120	1.6
173.09682	9.6
175.07553	3.1
175.11183	3.5
177.05455	2.0
177.09175	2.4
179.07030	3.0
179.08484	3.0
181.10143	3.3
183.08090	2.9
183.11720	12.2
184.07323	1.8
184.08833	1.3
185.09616	5.9
185.13300	11.2
187.07611	2.3
187.11172	5.5
187.14830	1.3
189.05507	1.5
189.09093	1.7
191.10704	3.5
192.09229	1.6
193.08572	2.0
193.10132	3.6
194.10838	1.8
195.08046	1.7
195.11667	4.5
197.09689	3.5
197.13268	4.9
198.10309	1.6
199.11212	14.7
201.09116	3.4
201.12692	1.7
203.10706	1.4
207.11765	7.1
208.12216	1.9
209.09647	5.1
209.13173	3.1
211.11195	4.9
213.09236	2.6
213.12735	11.3
214.13049	1.7
215.10658	4.0
217.08383	1.8
217.10239	3.0
217.12112	1.6
218.10847	1.8
219.11684	5.0
220.08826	1.7
220.12375	2.7
221.13223	4.7
223.11241	2.9
223.14894	1.5
225.12788	3.1
227.10664	1.8
229.10255	2.6
229.12306	5.7
230.10896	1.6
231.11880	2.7
231.13664	6.9
232.12468	2.2
233.09671	2.3
233.13274	3.8
234.13965	1.9
235.11246	2.6
235.14778	2.4
236.11810	1.7
237.12759	2.2
237.16412	1.8
239.10675	2.2
241.12303	3.8
243.11906	1.8
243.13959	2.1
244.12260	3.0
245.13249	5.1
246.10376	1.5
246.14078	3.1
247.11064	2.9
247.14888	2.2
249.12703	3.1
249.16399	3.4
251.14394	3.8
253.12404	2.4
255.11780	1.6
256.12317	2.1
257.13242	3.6
258.10556	1.6
258.13940	3.2
259.11099	2.2
259.13327	1.2
259.14807	5.1
261.12744	5.2
261.16541	3.2
263.14401	6.2
263.17874	2.2
267.13834	1.7
269.13083	2.0
270.10068	1.4
271.11200	1.9
271.14746	4.8
272.11768	1.7
272.15573	2.5
273.08926	1.2
273.12592	2.7
273.16321	3.4
274.13510	1.5
275.10510	1.6
275.14307	2.9
275.17944	2.5
277.12747	1.8
277.15866	2.7
279.13986	1.8
281.15482	2.5
284.15631	2.2
285.12402	1.6
285.16370	2.0
286.13336	1.4
287.14493	2.3
287.17844	2.4
288.15134	2.0
289.10571	1.5
289.15714	2.7
291.13885	1.5
291.17419	2.9
293.15213	1.6
297.15854	1.7
299.14212	2.8
301.12228	1.8
301.15790	4.4
302.16574	1.9
303.13989	2.8
303.17401	3.9
305.15387	1.7
305.18768	1.9
313.15909	2.1
315.13821	1.9
315.17343	3.0
317.15588	2.9
317.19028	3.3
319.16797	3.2
321.14807	2.2
321.18567	1.9
327.13611	2.3
327.17435	3.5
329.15204	2.0
329.18930	1.9
331.16937	4.3
333.18613	2.8
337.18066	2.1
343.16891	1.6
345.14648	1.8
345.18399	4.0
347.16397	3.6
347.20258	2.0
349.17987	3.7
355.16760	3.2
357.18518	3.4
359.16318	4.6
360.17062	2.7
361.17947	3.7
363.19437	4.1
365.16827	1.5
371.16467	1.6
373.18002	10.1
375.19537	3.4
377.17545	5.7
378.18167	2.1
379.15155	2.8
379.19431	2.3
383.16486	2.2
389.17557	2.9
391.19046	13.9
401.17319	6.7
407.18433	4.6
409.19922	6.9
419.18515	30.9
437.19595	34.3
439.20691	1.6
455.20581	4.4
469.22055	2.3
479.20609	3.7
497.21774	12.3
497.82327	1.7
515.22601	3.8
541.22266	1.5
679.28741	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	679.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.0
52.99166	0.6
53.03939	2.3
55.01853	1.9
55.05497	2.5
61.27077	0.6
63.30719	0.6
64.37168	0.6
65.03914	0.8
67.05510	4.1
69.03426	1.9
69.07071	1.0
69.17850	4.8
69.18279	2.8
77.03937	1.4
77.54205	0.6
79.05495	3.9
81.03427	3.5
81.07044	2.8
83.04980	3.6
91.05495	3.9
92.28016	0.6
93.07041	3.6
94.13451	0.7
95.04971	8.2
95.08598	1.4
97.06499	0.9
102.04684	0.8
103.05469	58.1
104.05796	0.8
105.03413	5.1
105.04539	1.5
105.07008	7.1
107.04925	0.7
107.08579	2.2
109.06525	1.7
109.10161	1.4
115.05446	2.7
117.07020	2.8
119.08612	4.3
121.02831	0.9
121.06493	1.6
121.10139	1.0
123.04353	1.1
123.08054	1.1
128.06204	1.8
129.06981	1.6
130.07684	0.6
131.04930	100.0
131.08566	2.3
132.05266	1.5
133.06482	5.2
133.10129	2.1
135.04446	1.0
135.08047	2.1
137.05969	1.0
141.06969	0.8
142.07785	1.3
143.08577	2.7
145.06490	3.6
145.10123	2.6
147.04500	0.7
147.08061	2.3
149.05981	1.8
154.07869	0.7
155.08519	2.2
156.09325	1.5
157.06497	1.1
157.10141	1.3
159.08063	3.2
159.11723	1.5
161.05980	11.6
163.07553	3.9
165.06995	0.9
167.08565	1.6
169.06483	1.0
169.10068	3.9
170.10895	0.7
171.08072	2.7
171.11656	2.6
173.09647	3.8
175.07571	0.8
179.07085	1.7
179.08577	0.8
181.10127	1.0
182.07269	0.9
183.08102	1.7
183.11746	2.1
184.12167	0.7
185.09634	2.5
187.07527	3.6
187.11189	2.3
189.05296	1.0
189.09096	0.8
189.49768	0.7
193.10207	1.3
195.08081	1.2
197.05930	1.4
197.09679	4.4
199.07602	3.2
199.11157	3.0
201.09131	2.1
203.07086	0.8
205.08527	1.1
209.05949	0.9
209.09602	1.6
211.07533	1.0
211.11217	1.0
213.09129	3.7
213.12762	1.5
215.10777	2.0
217.08450	1.0
223.07726	1.1
223.11301	1.6
225.05508	1.1
225.09111	3.0
227.06981	1.0
231.10091	1.2
233.09711	0.9
233.15385	1.5
241.08461	4.0
243.06451	1.0
243.10217	2.5
245.07890	1.0
251.10750	0.9
257.08044	13.2
258.09055	1.1
259.09601	7.7
271.09747	0.9
273.11282	1.4
275.09186	1.1
283.09656	0.7
285.11288	2.7
301.10764	7.5
303.12222	4.8
312.88492	0.8
315.13480	0.9
319.11746	4.2
331.16763	1.4
339.14218	0.7
345.14609	1.3
355.13120	1.2
357.15207	1.2
385.14230	0.9
391.15085	1.1
401.13632	1.4
403.15424	3.0
413.14172	0.9
419.18921	1.3
421.16406	3.2
431.14899	1.1
433.16333	1.5
437.20035	1.5
445.16718	2.7
449.15887	6.4
450.29553	1.7
451.17505	2.2
453.19080	1.5
463.17548	6.7
469.18881	1.8
481.18503	6.9
482.31888	1.0
497.22116	0.9
499.19717	5.6
499.30457	1.7
551.20850	1.7
583.23077	0.9
593.21497	1.3
611.22870	2.2
629.24463	4.1
679.31366	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95069	1.7
51.02377	2.9
53.03933	8.7
55.05510	8.0
58.43073	1.9
67.05493	4.3
69.03403	4.5
69.07059	3.3
71.55463	2.8
74.14725	1.9
79.05494	9.4
81.03431	2.4
81.07049	4.4
83.04993	11.8
85.02886	2.9
91.05480	21.8
93.07053	7.3
95.04983	17.4
95.08615	3.1
97.06554	2.3
103.04092	2.3
103.05476	7.2
105.03397	100.0
105.04527	5.5
105.07037	32.7
107.04984	3.2
107.08598	8.0
109.06479	3.2
111.04443	2.2
115.05466	5.6
116.06239	2.7
117.07001	12.4
119.08580	21.5
119.39657	2.1
121.06497	2.9
121.10151	6.2
123.08060	4.5
128.06247	6.7
129.07005	6.9
131.04953	11.6
131.08569	14.6
133.06494	14.8
133.10159	10.9
135.08069	6.4
141.07036	4.3
142.07796	8.3
143.08575	16.8
145.06485	7.4
145.10121	14.1
147.08060	11.1
147.11714	3.9
149.09601	8.4
153.06966	4.3
154.07693	3.9
155.08511	9.9
156.09340	12.5
157.06526	3.8
157.10144	21.7
159.04427	3.1
159.08072	12.1
159.11671	5.7
161.05983	24.6
161.09627	8.7
163.07576	8.0
165.07007	6.0
166.07773	2.2
167.08614	5.7
168.09340	3.2
169.10179	15.4
170.10860	10.2
171.08052	7.1
171.11684	39.9
172.12152	2.0
173.06004	4.9
173.09587	11.2
173.13266	4.0
175.07594	10.7
175.11269	3.3
177.05441	2.3
177.09079	9.7
179.07019	4.7
179.08490	3.9
181.10138	6.5
183.08067	4.6
183.11700	34.6
184.08894	5.0
184.12346	2.5
185.09641	10.7
185.13242	19.5
186.13623	2.5
187.03935	2.3
187.07611	4.8
187.11194	8.8
189.05518	7.1
189.09163	4.7
191.10686	4.3
192.09468	2.4
193.08571	3.5
193.10175	10.3
194.10945	3.0
195.08011	2.0
195.11673	9.5
197.09615	8.0
197.13274	5.7
198.10487	4.0
199.07481	3.2
199.11166	16.4
200.11890	4.9
201.09215	2.6
201.12743	6.4
203.10649	2.6
205.08487	2.9
205.10190	4.1
206.10982	4.1
207.11668	9.8
208.12410	5.9
209.09587	3.8
209.13268	9.8
211.11171	12.0
213.09137	7.2
213.12740	23.6
215.10730	5.8
216.09290	4.1
217.08525	5.2
217.10295	4.2
217.12189	4.0
218.10799	3.7
219.11780	5.8
220.12444	6.2
221.09692	3.1
221.13277	11.8
222.13956	3.5
223.11125	5.5
223.14799	8.1
224.11942	2.4
225.09247	2.8
225.12775	2.2
229.10291	3.3
229.12221	13.0
230.10831	3.4
231.11641	7.2
231.13850	19.5
232.12488	6.0
233.13316	5.8
234.13860	3.0
235.11163	4.4
235.14839	4.6
237.12732	4.8
237.16383	11.8
241.12196	7.1
242.10834	3.7
243.11682	6.4
243.13895	3.7
244.12497	5.4
245.13304	7.4
246.14159	3.9
247.11182	4.8
247.14842	5.1
249.12794	7.3
249.16396	2.5
251.14207	10.5
254.10954	2.7
255.11803	5.7
256.12564	3.8
257.13156	6.5
258.14096	5.4
259.13052	12.6
260.11920	2.0
261.12708	7.5
261.16425	3.2
262.13287	2.1
263.14365	4.8
263.18045	3.1
265.12262	2.3
265.15906	5.9
267.11554	3.4
269.13251	6.9
270.10510	3.0
270.14142	5.8
271.10977	2.6
271.14841	6.5
272.11963	2.5
273.12698	4.8
273.16428	4.9
275.14273	6.0
279.17410	5.7
283.11331	2.7
283.14813	5.6
284.12057	2.3
284.15485	3.9
285.12851	4.2
285.16312	5.6
286.13596	3.1
286.17120	2.9
287.10916	2.1
287.14304	7.4
289.15845	5.6
291.13757	2.6
291.17422	2.6
293.15356	2.8
297.12683	2.9
299.14374	4.3
299.17874	2.5
300.14893	2.1
301.15891	5.0
303.13892	3.5
303.17319	3.0
305.15359	3.7
307.16898	9.3
312.14807	2.4
313.12411	2.1
313.15845	7.1
315.13861	4.0
315.17426	5.4
317.15271	5.4
319.16202	2.6
326.12955	2.8
327.17401	5.4
329.15317	5.6
331.16895	9.8
333.18478	3.1
335.16507	3.4
341.15295	6.7
343.16867	5.0
345.18481	7.4
347.16461	4.7
349.18085	5.5
355.16977	7.5
357.18356	2.2
359.16263	11.0
361.14001	3.2
361.18048	10.5
363.19305	4.5
365.17468	3.1
371.16486	6.7
373.17923	20.6
375.15497	2.7
375.19730	3.4
377.17535	6.2
379.19025	5.8
383.16617	6.5
389.17474	19.7
391.19037	16.8
401.17496	26.5
407.18484	11.1
409.20175	5.9
419.18488	55.5
437.19583	27.7
439.21155	3.4
467.20996	9.6
479.20740	11.6
497.21976	7.7
499.22913	4.2
584.29523	2.6
618.51715	2.1
644.31732	4.6
647.27045	2.5
679.29559	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	678.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.6
55.05512	22.8
57.03445	9.5
57.07061	3.1
59.04995	1.7
65.03937	4.6
67.05505	79.2
69.06729	1.9
69.07070	25.5
69.83714	2.9
69.84129	4.8
71.04974	6.2
71.08631	2.0
71.51946	1.4
79.05064	2.3
79.05495	37.8
80.44653	1.4
80.93127	1.4
81.07057	82.5
83.04968	4.6
83.08618	16.2
85.06523	3.7
91.05481	52.6
93.06479	2.1
93.07043	34.0
95.04945	4.7
95.08610	53.6
97.06541	6.7
97.10182	8.5
99.08091	3.1
100.74882	1.3
103.05483	1.7
105.04536	1.7
105.07034	28.9
107.04924	1.7
107.08599	20.4
109.06535	2.6
109.10152	18.7
111.08070	3.2
115.05442	1.6
117.06220	2.6
117.07020	38.7
119.08580	22.4
121.06512	1.5
121.10159	22.9
123.08067	3.3
123.11703	5.3
125.09577	2.2
129.06993	8.6
131.08588	26.5
131.49490	1.4
133.10141	23.3
135.11668	9.1
137.13235	2.4
141.06961	3.5
143.08554	7.1
145.10133	16.7
147.11708	9.3
149.09596	2.3
149.13235	4.9
151.11200	1.4
155.08556	2.2
157.10136	8.3
159.11644	7.0
161.09679	1.6
161.13255	7.5
163.11087	1.9
163.14760	3.5
169.10083	1.8
171.11670	8.1
173.13257	5.1
175.14871	3.2
177.09148	1.5
177.12717	2.9
183.11670	4.1
185.13297	2.9
187.14767	2.1
229.19518	1.6
239.17917	9.1
252.10368	1.4
257.18985	20.6
259.20547	1.9
263.23685	2.5
275.20044	16.6
285.74182	1.7
313.21417	3.3
331.22684	24.5
335.25693	2.0
337.27374	100.0
339.28650	1.8
349.23862	8.6
349.27518	1.4
363.25314	3.3
381.26425	8.7
519.41315	2.2
555.14044	1.5
585.45148	33.9
593.45361	4.9
599.45721	2.2
611.46753	27.1
629.46259	1.9
643.49414	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	679.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
58.99886	1.4
62.83772	1.4
69.03430	3.0
71.54350	2.0
74.13081	1.4
81.03404	2.3
83.01327	2.2
85.02917	5.2
91.05527	1.7
95.01916	1.7
95.04955	1.8
97.02892	4.0
98.97565	2.7
101.00887	18.7
105.00375	6.0
105.03396	100.0
109.02906	2.7
113.00878	3.8
115.02438	2.4
119.01141	2.8
119.01934	32.2
127.02443	4.0
127.03922	2.6
128.98653	1.7
129.00366	4.1
129.43619	1.2
131.01903	13.6
133.03452	2.6
137.02881	3.3
139.02426	1.4
141.14355	1.4
143.01906	37.3
145.03540	15.9
145.04611	2.5
147.01434	7.5
147.04410	4.7
155.01903	28.4
157.03471	9.3
159.01315	2.1
161.02969	28.9
163.03870	2.0
167.01935	14.4
169.03481	6.4
171.01457	2.3
171.05014	3.1
173.02977	29.4
175.00876	2.4
175.04488	2.0
177.02338	1.8
177.05511	5.5
179.01936	5.4
181.03491	19.0
185.02966	45.5
187.00775	2.0
187.04530	6.4
189.02573	1.6
191.04015	2.9
195.05048	4.0
197.02985	16.9
199.04530	23.0
201.02483	1.8
201.84315	1.8
203.04033	14.1
205.03506	15.1
205.05392	2.2
208.04361	1.5
209.03047	3.6
211.04550	1.7
215.04050	8.7
217.01978	1.8
219.05101	10.3
221.05115	4.6
223.04529	83.0
224.04721	1.6
227.04025	10.4
231.05055	3.9
233.01421	3.8
233.06660	1.8
235.04474	7.6
237.02660	1.8
237.06003	9.0
239.04073	2.0
241.05632	3.9
245.05087	85.2
246.05975	3.4
247.04617	4.1
249.06090	6.0
253.05702	4.4
257.05038	6.0
259.03015	6.0
263.03793	3.2
263.06165	9.7
265.05643	6.4
275.02618	4.6
275.06171	9.0
277.03595	7.4
281.04926	1.9
285.04660	3.4
289.05347	2.4
293.07202	3.0
295.06757	2.3
301.01926	3.0
305.04352	2.5
305.07730	7.9
307.06561	16.4
309.04626	2.9
317.04953	1.8
319.02951	14.2
325.07730	13.1
335.08319	2.6
337.04044	6.3
337.09720	2.0
347.06317	2.0
355.05145	10.2
359.04724	3.0
361.04010	7.1
365.09354	12.0
373.09955	3.1
377.05780	6.4
379.05112	22.9
389.07190	9.9
391.05011	3.3
395.06525	3.8
397.05975	20.5
407.08109	4.3
409.06085	11.2
415.07153	1.8
419.40884	1.7
421.06271	2.2
427.07019	3.6
439.07278	7.8
457.07816	6.9
463.07098	9.0
481.08377	25.0
487.13101	10.8
499.09253	28.7
517.10095	7.9
539.10443	2.2
643.13544	10.4
661.14606	18.7
679.15558	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.7
53.03939	7.1
54.73593	2.0
55.01878	3.3
55.05512	23.8
57.03439	9.8
63.28171	2.0
65.03937	5.7
65.62399	2.0
67.05508	99.7
69.07071	24.3
69.20627	19.7
71.04997	5.9
79.05498	85.3
81.03450	1.9
81.07059	95.3
83.04982	5.6
83.08630	14.4
83.23540	1.9
83.92173	2.2
85.06529	3.8
91.05483	100.0
93.07047	82.9
95.04971	8.0
95.08609	54.6
95.09066	1.6
95.80424	1.8
96.11401	1.8
97.06525	6.1
97.10157	4.1
99.08112	2.6
105.04475	2.2
105.07036	49.0
107.04966	4.0
107.08598	44.9
108.22874	1.8
109.06512	3.4
109.10160	17.1
111.08099	5.7
115.05417	2.9
116.06309	1.8
117.07013	34.3
118.19409	1.9
119.08580	41.3
121.06446	2.2
121.10151	72.1
121.11046	3.9
123.11718	3.2
125.09612	2.9
129.06996	9.9
131.08568	45.2
133.10132	33.1
135.08089	4.1
135.11690	36.9
135.12697	2.2
137.09665	4.2
139.19264	1.9
141.06990	4.9
143.08556	10.4
145.10121	30.9
147.11679	17.8
149.09607	5.5
149.13213	9.2
151.11230	2.7
155.08586	3.9
157.10115	9.0
159.11693	17.2
160.74025	2.1
161.13301	12.5
163.11171	5.2
165.12759	3.2
169.10112	2.5
171.11717	12.9
173.13300	8.0
175.14925	2.9
177.12814	6.3
179.14301	4.2
183.11615	2.1
185.13284	5.0
195.13908	2.0
213.16403	2.7
231.17499	2.9
239.17914	9.0
241.19603	4.4
249.18547	5.4
257.19046	17.0
259.20581	18.7
275.20114	22.0
277.21631	17.3
283.92209	2.3
323.22144	12.4
331.22668	9.7
333.24249	14.8
335.25693	2.4
349.23718	26.5
351.25281	60.3
367.24823	27.4
545.38202	2.4
581.41669	5.1
599.43030	51.9
607.43457	9.2
625.44397	20.8
643.45599	34.8
678.47980	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	678.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.01863	3.7
55.05308	1.6
55.05517	17.8
57.03442	9.3
57.07060	1.6
59.04991	1.8
65.03937	4.5
67.05507	94.6
69.07064	22.0
71.04994	3.6
77.03900	1.5
78.45336	1.2
79.05495	72.0
81.00224	1.6
81.07062	100.0
83.04977	3.3
83.08621	17.1
85.06551	5.8
91.04895	2.3
91.05482	70.8
93.07048	84.9
95.04971	5.3
95.08607	52.0
97.06527	8.7
97.10156	4.3
99.08106	2.6
105.04462	1.5
105.07034	33.1
107.04956	3.7
107.07866	2.5
107.08598	38.4
109.06534	3.4
109.10164	16.8
111.08107	7.5
113.72761	1.3
117.07021	20.7
119.07803	2.6
119.08594	31.7
121.06512	5.6
121.10150	61.6
121.11040	3.0
123.08082	3.3
123.11694	3.7
125.09654	3.8
128.06252	1.4
129.06987	6.4
131.08577	31.9
133.10138	31.2
134.10231	1.2
135.08061	12.1
135.11696	33.8
137.09630	6.1
139.11145	2.2
141.07001	2.1
143.08549	5.9
145.10133	23.4
147.08060	1.4
147.11693	19.4
149.09622	8.7
149.13248	12.3
151.11249	1.8
151.88683	1.5
157.10147	8.7
159.11711	22.1
161.09676	1.9
161.13275	13.6
163.11142	7.7
165.12766	2.7
169.10121	2.1
171.11705	11.0
173.13231	10.9
175.14783	3.3
177.12749	16.6
178.27316	1.3
183.11684	2.7
185.13263	5.7
189.12762	1.8
191.14325	2.1
195.13782	2.8
197.13252	3.3
217.15569	1.3
229.19556	2.5
239.18015	6.6
241.19473	8.0
257.19012	9.9
259.20578	26.7
261.22232	1.6
273.18661	2.5
274.10599	1.4
275.20071	39.0
277.21622	25.8
293.21155	1.9
315.19989	1.5
315.23065	6.3
331.22498	1.7
333.24203	19.6
335.25815	1.7
349.23743	90.0
350.23944	2.1
351.25308	68.5
352.25656	1.8
367.24792	74.1
368.24988	2.3
551.40564	1.6
607.43298	5.8
625.44507	20.9
643.45667	72.1
644.45715	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	678.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.9
55.05514	19.9
56.08113	3.8
56.25039	3.5
57.03432	8.8
57.07062	5.1
67.05512	100.0
69.07061	25.0
71.04994	9.5
79.05499	73.7
81.07063	93.2
83.04990	4.4
83.08627	18.6
83.22789	3.8
91.05489	93.1
93.07057	86.7
95.04966	9.7
95.08620	49.3
97.06530	9.8
97.10172	7.7
99.08124	3.7
105.07038	50.6
107.08604	51.2
109.06474	6.1
109.10178	28.1
117.07016	37.1
119.08599	41.3
121.10166	70.3
123.08086	5.0
129.06960	11.3
131.08569	44.2
133.10124	36.4
135.08064	4.5
135.11732	32.6
137.09599	4.9
143.08595	15.4
145.10170	34.3
147.11678	22.9
149.09599	4.3
149.13213	5.5
155.08556	6.5
157.10118	14.0
159.11699	23.1
161.13254	9.8
163.11211	8.5
169.10083	6.1
171.11711	10.3
173.13245	6.7
177.12817	6.5
183.11681	9.7
185.13278	7.7
229.14351	11.3
241.19547	4.7
257.19040	9.1
259.20532	14.5
273.18573	5.5
275.19958	18.9
277.21603	10.7
291.19598	6.6
315.22995	6.6
323.22150	9.7
331.22604	14.5
333.24210	40.7
335.25699	25.1
349.23676	22.8
351.25256	32.6
365.23315	13.0
367.24783	10.5
405.75153	4.0
481.38919	6.4
527.37177	5.7
581.42194	19.3
599.42859	22.8
606.00439	4.3
607.43677	32.5
625.44696	92.7
643.45813	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17152	0.4
53.03938	0.5
55.01864	1.0
55.05495	1.7
56.05038	0.5
57.03426	0.7
57.07072	0.4
57.97572	0.4
61.02940	0.4
65.03934	0.5
65.72070	0.4
67.04209	0.5
67.05496	2.1
69.03420	2.8
69.07050	1.5
70.06581	1.0
70.07330	2.0
71.04989	0.9
72.08137	1.0
73.02918	1.0
78.69891	0.4
79.05499	2.2
80.05006	0.8
81.03395	0.7
81.07053	3.2
82.06578	14.5
83.04984	1.3
83.08608	0.4
84.08129	0.5
85.02893	1.7
85.06519	0.7
86.06043	0.6
91.05470	2.8
93.07046	3.0
93.61197	0.4
95.04953	1.0
95.08620	2.7
96.08177	0.4
97.02904	0.9
97.06516	1.9
100.07616	85.3
101.07940	0.6
103.05434	0.5
104.07078	0.7
105.07034	4.1
106.02952	2.1
107.08594	3.7
109.06527	0.4
109.10149	2.0
113.06049	0.6
115.03944	0.8
115.05453	0.4
117.07019	1.6
119.08575	5.8
121.06489	0.4
121.10148	2.6
123.05552	48.2
123.11699	0.7
124.03970	4.7
124.05112	0.7
124.05901	8.9
125.04295	1.0
125.06045	0.5
125.09711	0.5
127.03919	0.6
128.06268	0.6
129.06984	1.1
131.04919	0.9
131.08585	3.3
133.04962	0.7
133.10146	4.0
135.11705	1.5
137.09601	0.5
139.07539	0.5
142.07690	1.1
142.08723	0.7
143.08582	2.9
144.09303	0.6
145.10132	4.6
146.08142	0.8
147.08098	0.5
147.11700	2.5
148.07594	0.4
149.09586	0.9
153.06960	0.5
153.22414	0.4
155.08559	1.3
156.09335	0.9
157.10152	4.1
159.08055	0.9
159.11688	3.2
160.09689	100.0
161.05983	0.8
161.09822	1.6
161.13269	1.2
165.09061	0.6
167.08505	0.8
169.10106	2.8
170.10927	0.6
171.11694	4.7
173.09561	1.1
173.13283	1.7
175.07538	0.5
177.09198	0.6
179.08546	0.8
180.09196	0.4
181.10060	2.0
182.10747	0.4
183.11679	3.5
185.09642	0.7
185.13264	3.1
187.11179	0.8
187.14905	0.8
188.26985	0.4
191.10588	0.6
193.10181	1.1
194.10957	0.6
195.11734	3.3
196.12537	1.0
197.13313	3.2
198.51729	0.4
199.11205	1.0
199.14844	1.5
201.12723	0.7
203.10637	0.6
205.10153	0.5
207.11746	1.3
208.12329	0.5
209.13260	3.1
211.11197	0.6
211.14810	2.8
213.12743	1.7
213.16406	0.6
217.10234	0.5
219.11794	0.7
221.13344	1.2
223.11292	0.6
223.14799	3.3
224.15646	1.5
225.12817	0.7
225.16399	1.2
227.17860	0.6
231.13864	1.1
235.14745	0.9
237.16408	1.0
239.17970	1.1
247.14734	0.8
249.12662	0.5
249.16505	1.2
251.14372	0.5
251.17978	0.6
255.09750	10.6
256.08069	1.7
256.10342	4.1
257.08588	1.4
257.15640	0.6
265.15961	0.8
265.19421	0.6
267.20804	0.5
275.18039	0.8
283.17169	0.5
326.12497	1.5
326.22125	0.4
327.12781	1.6
339.19394	1.1
357.20581	2.2
381.20627	1.1
419.24753	0.5
423.25406	0.7
441.26630	0.6
459.27753	1.2
678.38501	50.0
679.38519	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63224	1.6
53.03938	2.2
55.01862	2.5
55.05509	18.6
55.47090	1.4
56.05045	7.9
58.06609	14.7
62.06091	1.8
67.05492	6.2
68.05024	2.8
69.03418	5.9
69.07048	3.8
69.36919	10.6
70.06598	3.3
71.04987	1.6
72.04140	2.6
72.04518	28.8
72.08144	1.7
74.06087	11.1
76.91030	1.5
79.05482	7.1
81.03405	4.4
81.07069	9.1
82.06592	1.7
83.04491	1.9
83.04984	34.1
84.08141	3.0
85.02888	4.7
85.06574	1.5
86.06071	54.2
86.09716	1.8
87.04471	2.3
87.31781	1.5
91.05450	8.5
93.07053	10.6
94.57672	1.5
95.04967	5.7
95.08615	8.3
96.04475	1.6
97.06515	4.7
98.06060	3.3
100.07618	15.1
102.05551	2.8
103.06305	3.1
104.07112	100.0
105.07021	10.7
107.04965	2.4
107.08626	9.6
109.06492	4.1
109.10183	3.8
112.03970	2.4
114.05534	31.9
116.07090	5.8
116.10739	3.7
117.07029	3.4
119.04875	2.2
119.08581	13.9
121.06519	5.7
121.10149	4.6
122.05989	2.0
123.04404	2.4
123.08047	2.7
123.11739	1.6
125.05933	1.5
126.05489	6.9
127.03876	2.1
127.07563	2.4
128.06256	2.0
129.06947	2.9
130.04985	1.5
130.07832	1.6
131.08597	9.3
132.06573	20.5
133.06519	3.1
133.10143	10.6
135.04384	1.8
135.08049	4.3
135.11671	1.9
137.05975	3.3
137.09598	2.0
138.05478	2.4
141.06956	1.7
142.04999	40.7
142.07770	3.7
143.08554	6.8
144.06586	23.9
145.06432	2.5
145.10149	7.8
146.08136	1.7
147.08052	7.0
147.11603	2.2
149.09619	2.7
152.10617	2.4
155.08565	4.4
156.09331	3.0
157.10146	11.5
159.08102	3.8
159.11664	7.8
160.06070	27.7
161.09601	6.2
163.07567	3.4
169.10118	5.9
171.08055	4.0
171.11722	13.1
173.09636	4.3
173.13286	3.8
175.11166	2.7
177.09039	2.4
179.10623	2.3
180.10448	1.7
181.10127	4.4
182.10847	1.7
183.11684	6.8
184.07341	3.3
185.09612	5.3
185.13257	5.4
187.11182	2.7
187.14818	2.9
193.10175	2.6
195.11690	6.6
197.09637	4.9
197.13272	5.3
199.11188	6.8
200.11891	1.8
201.09091	3.6
201.12830	2.1
204.08664	6.3
207.11751	5.1
209.13289	4.7
211.11206	3.4
213.12756	6.6
215.14275	3.9
220.12357	2.4
221.13237	3.4
223.14799	2.6
225.12749	3.7
231.11684	3.6
231.13803	3.3
232.12457	2.8
233.13200	4.6
235.11119	2.5
235.14883	2.0
237.16431	2.1
239.14226	1.9
241.12206	2.4
243.11566	2.6
243.13832	2.4
245.13345	3.3
247.15010	2.5
249.12712	3.9
249.16476	3.8
250.17256	2.2
251.14430	3.0
251.17897	2.5
254.17628	1.8
257.13281	3.1
260.15442	1.9
261.16364	4.4
263.14304	2.7
263.17929	2.3
265.15921	2.3
273.12793	1.6
275.17923	7.2
277.15921	2.1
277.19406	2.6
279.17542	1.9
287.14294	2.1
287.18048	4.4
292.09808	1.7
293.19000	4.3
303.17499	2.3
305.15622	1.6
305.18860	7.8
311.20020	2.6
312.70810	1.6
315.17511	1.8
321.18475	6.8
322.14700	1.7
323.20038	6.6
339.19513	6.7
341.21094	5.5
357.19427	1.7
361.17877	2.5
379.18948	3.1
381.20517	3.7
383.22141	1.8
394.29712	1.7
397.20410	2.6
399.21848	3.7
446.22885	2.2
464.24191	3.9
470.80984	1.5
482.25027	4.5
483.27585	11.3
499.26950	5.8
500.25778	2.5
501.28149	3.0
524.26184	3.3
542.26776	2.2
560.28168	2.4
600.31592	3.3
601.32336	2.5
606.30194	3.3
614.32941	5.2
624.31482	12.7
642.32617	37.1
643.31873	1.8
660.33868	65.4
661.32794	1.9
678.34930	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	678.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.5
55.01869	6.6
55.05515	55.7
67.05499	11.1
69.03442	5.7
69.32819	9.2
69.33234	27.3
79.05500	22.2
81.03412	13.5
81.07065	6.5
83.04983	80.5
83.52621	3.9
91.05500	33.4
93.07061	17.5
95.04967	33.5
95.08573	9.0
101.05973	4.5
103.05479	32.4
105.03396	53.7
105.07030	53.5
106.03711	6.4
107.04952	8.9
107.08593	16.4
109.06527	13.1
111.04388	4.3
115.05467	14.1
117.07014	39.5
119.04941	5.7
119.08591	56.1
121.06496	10.7
121.10127	8.0
123.04400	6.1
123.08073	3.8
125.05917	4.4
126.05499	4.9
128.06221	9.0
129.06987	18.7
131.04939	64.1
131.08562	33.8
132.05324	5.0
133.06497	22.5
133.10126	24.5
135.08029	18.7
137.09532	4.7
141.06981	10.4
142.07739	10.3
143.08603	26.1
145.06477	27.8
145.10107	27.8
147.08086	24.8
147.11624	5.8
149.09595	23.6
151.11153	4.8
152.06253	4.9
153.06947	5.7
155.08565	10.2
155.49158	4.3
156.09373	12.4
157.06476	5.9
157.10165	49.9
159.08043	26.7
159.11699	45.9
161.05991	27.7
161.09680	22.6
163.07549	29.1
163.11247	7.2
165.06998	5.4
167.08540	5.4
168.09373	8.7
169.10115	31.8
170.10905	12.7
171.08043	13.8
171.11699	43.6
172.08823	8.7
172.12135	5.6
173.06007	14.7
173.09634	29.1
173.13263	10.8
175.07520	19.9
177.09103	32.2
179.08543	5.4
181.10130	10.3
183.08116	10.5
183.11697	100.0
184.07373	4.3
184.12202	8.3
185.09630	15.2
185.13255	34.1
187.07535	5.3
187.11140	23.6
189.05432	6.2
189.09093	22.7
191.06993	6.6
191.10640	8.9
192.09297	6.7
193.08597	5.0
193.10126	14.7
194.10963	5.3
195.11691	19.4
197.09634	19.2
197.13344	8.7
199.11159	17.4
201.09164	5.5
201.12781	29.4
205.12209	9.4
207.11716	20.3
208.12502	8.6
209.09669	7.6
209.13359	9.2
211.11171	20.7
213.09108	10.4
213.12708	24.1
215.10686	10.2
217.10252	7.2
218.10905	10.4
219.11720	12.1
220.12505	8.5
221.09660	7.2
221.13269	18.3
223.11177	11.3
223.14781	13.6
225.12608	7.0
227.10616	7.9
229.10197	8.5
229.12250	19.0
231.10098	9.8
231.13759	10.5
232.12408	8.2
233.13316	11.7
233.15404	6.6
235.11259	7.5
235.14661	10.7
237.12701	10.8
237.16339	6.2
239.14368	6.7
241.12286	6.3
243.13846	17.4
244.12450	7.2
245.13289	8.8
245.15431	9.2
246.13837	6.5
247.11230	9.3
247.14803	14.5
248.15474	7.2
249.12793	7.0
249.16342	7.9
251.10706	4.9
251.14301	15.4
255.11618	5.4
255.13972	5.0
256.12341	6.5
257.13370	5.8
258.13919	6.4
260.12003	6.0
260.15533	5.2
261.12589	5.3
261.14954	14.9
263.14261	4.5
269.13037	6.8
270.13959	9.7
271.15283	5.1
272.15488	6.6
273.12582	6.7
277.15826	5.7
278.12958	4.4
281.15512	4.2
284.15509	9.6
285.16467	9.0
287.14468	9.7
289.15881	8.1
293.15231	5.1
297.12506	6.0
299.14243	7.2
300.15082	7.6
301.15729	7.5
303.17380	8.9
307.16766	4.6
313.15750	10.7
317.18985	5.6
327.17139	7.3
329.15311	6.1
330.16003	6.6
331.16953	26.6
333.14700	7.9
343.16907	6.0
345.18433	33.7
347.16153	6.3
349.18210	6.7
351.15869	4.9
355.16830	9.2
358.19250	6.0
359.16174	9.8
363.19525	15.5
373.17935	31.7
377.21469	7.4
379.19302	6.0
387.19385	7.2
391.19080	26.8
401.17453	18.3
403.19070	5.4
405.20584	41.3
409.20212	5.9
417.20322	5.2
418.21390	4.5
419.18494	16.6
423.21658	22.6
433.20197	20.7
435.21408	4.8
437.19354	11.4
441.22662	10.0
451.21432	28.7
465.22665	15.7
469.22223	11.6
483.23782	20.6
511.23709	6.5
543.26294	5.1
569.27130	5.6
583.29340	10.4
611.28619	58.2
643.30908	42.3
678.31488	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	678.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	4.4
53.03942	11.6
55.01870	8.7
55.05514	52.1
55.92049	3.7
56.93498	3.6
60.08139	4.2
60.51794	4.4
67.05499	15.6
69.03423	9.4
69.07088	4.2
69.28001	28.5
69.28418	8.0
74.09717	6.9
78.49997	3.8
79.05489	23.1
81.03424	12.6
81.07050	12.2
82.02954	5.5
83.04984	98.8
91.05482	31.9
93.07013	21.6
95.04986	24.5
95.08611	8.8
97.06558	4.9
103.05476	25.7
104.05791	3.7
105.03403	53.3
105.07040	46.3
106.03731	8.5
107.04960	6.5
107.08589	19.1
109.06515	12.1
115.05463	16.4
117.07030	36.6
119.04975	3.8
119.08579	52.4
121.06536	9.5
121.10160	5.2
123.04417	6.5
123.08061	5.9
126.05540	7.9
128.06190	6.3
129.06987	13.0
131.04930	51.3
131.08589	36.9
132.05234	8.6
133.06517	19.7
133.10110	22.3
135.08058	17.1
141.07002	4.5
142.07780	12.5
143.08571	28.3
145.06500	21.7
145.10085	21.5
146.10530	4.4
147.08028	19.9
149.05991	4.9
149.09644	18.6
153.06863	4.4
155.08524	22.3
156.09344	20.2
157.06479	5.4
157.10121	51.9
159.08038	20.5
159.11697	39.9
161.05968	22.8
161.09654	16.9
163.07518	24.2
165.06989	5.5
167.08568	6.1
168.09283	7.3
169.10097	33.4
170.10884	13.6
171.08038	11.3
171.11674	49.7
172.08769	4.8
172.12071	7.9
173.06001	9.9
173.09592	23.8
173.13255	15.7
174.13683	3.7
175.07536	14.9
175.11160	5.5
177.09122	28.7
179.08580	8.2
179.10609	4.4
180.09354	5.7
181.08696	4.3
181.10077	19.2
183.08092	11.1
183.11696	100.0
184.07359	9.4
184.08833	4.1
184.12213	9.3
185.09625	14.1
185.13297	28.3
186.10313	4.0
186.13641	7.1
187.07593	8.5
187.11133	22.5
189.09117	15.8
191.06998	8.7
191.10709	4.8
193.08647	7.6
193.10193	15.8
193.12157	3.8
194.10829	5.6
195.08032	5.1
195.11703	14.2
197.09650	13.3
197.13246	10.6
199.11192	20.8
200.11656	4.7
201.09111	15.2
201.12755	19.7
203.08658	6.1
203.10597	6.2
205.10231	5.0
205.12283	5.4
206.10884	6.2
207.11766	19.9
208.12410	9.3
209.09587	11.9
209.13231	10.9
211.11142	18.3
213.09097	8.2
213.12758	28.0
214.13031	6.2
215.08789	5.7
215.10730	8.8
217.10194	4.6
217.12193	6.5
218.10847	4.3
219.11819	6.4
220.12396	7.4
221.13264	15.7
222.13858	5.3
223.11111	10.4
223.14854	15.8
225.09036	6.1
227.10518	7.4
229.10272	5.1
229.12230	16.2
231.09872	5.4
231.11858	8.4
231.13774	5.0
232.12473	8.7
233.13248	15.2
233.15431	10.8
235.11162	9.5
237.12698	7.2
241.12259	5.1
243.11639	8.2
243.13860	15.1
244.12305	7.5
245.11508	5.8
245.13525	8.0
245.15428	8.5
247.15073	8.3
248.11807	4.6
249.12827	8.7
249.16362	4.5
251.14232	13.1
253.12221	7.0
255.13890	6.8
256.12469	8.8
258.13834	4.8
259.11060	6.9
259.14902	12.0
260.15369	5.2
261.12506	4.8
261.14691	8.3
261.16876	4.7
263.14325	6.2
265.15814	7.3
267.06650	3.5
269.12949	7.3
270.13943	9.0
271.15109	5.8
273.12442	8.7
273.15009	5.4
279.13840	5.3
285.12659	6.7
285.16373	9.2
286.13782	5.6
287.14249	10.4
289.19223	4.4
293.15359	8.0
297.12662	7.4
299.14233	8.2
301.15518	6.9
303.17273	9.5
305.15530	6.8
312.14758	4.5
313.15729	10.2
315.13797	7.0
317.15454	4.3
319.17087	5.6
321.18521	6.9
327.17459	8.3
329.15073	5.7
331.16919	24.1
332.17157	4.5
335.16489	4.9
335.20172	4.2
343.16830	5.4
345.18600	24.5
349.17810	7.4
355.16797	8.2
357.18735	5.4
359.16440	8.3
363.19608	8.1
369.63544	4.6
373.17844	31.9
387.20209	4.5
391.19034	20.8
401.17545	11.7
404.19293	5.4
405.20615	30.5
409.20065	4.9
415.19095	4.9
418.21051	10.4
419.18478	14.3
421.19904	6.4
423.21771	25.3
433.20352	20.7
437.19687	5.4
441.22684	8.4
451.21210	33.9
465.22733	12.6
469.22183	11.3
483.23621	11.8
511.23199	4.6
533.44305	5.0
551.26837	4.2
578.25885	5.6
583.28809	6.0
611.28436	46.8
643.31049	32.9
660.29926	5.2
678.30829	51.8
679.27094	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	678.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01873	1.4
55.05530	2.2
56.05028	0.9
57.03439	1.9
57.54290	0.4
61.02930	0.8
62.06089	0.9
65.03947	0.4
67.05513	4.5
69.03094	0.4
69.03440	6.8
69.07075	5.9
70.06594	2.1
71.04977	1.6
71.19830	0.9
72.08177	2.5
73.02924	1.4
81.03423	5.9
81.07068	3.8
82.06587	1.9
83.04991	0.6
83.08617	0.6
84.04510	0.7
84.08149	1.4
85.02916	6.4
86.06075	24.5
87.00842	2.3
87.06450	0.4
91.05490	5.9
93.07046	4.0
95.08616	10.9
96.08144	4.8
97.02906	4.0
97.06528	2.0
98.06059	1.8
98.09705	9.0
99.04469	2.8
100.07628	6.0
101.02357	0.5
101.06067	0.5
105.01874	0.8
105.07018	1.4
105.07668	0.5
107.08601	1.5
108.08152	2.5
109.02897	5.1
109.06529	1.1
109.10156	3.4
110.09691	0.8
114.09174	1.3
115.07585	3.3
116.10743	63.0
117.07031	1.0
117.11040	0.7
119.08590	10.1
120.08209	0.4
121.06527	0.6
121.10193	0.7
122.09696	1.8
123.08076	1.0
124.07596	2.2
124.11292	0.4
125.05962	0.4
126.09138	0.8
127.03928	5.1
129.01810	0.4
131.08542	0.5
134.09712	0.9
135.08104	0.7
135.11655	0.4
136.11298	0.5
137.09605	6.2
138.09152	1.1
140.10695	1.7
142.08658	5.7
143.08612	0.6
145.05014	0.9
145.10034	0.9
147.02954	0.5
147.08080	2.4
148.11227	0.6
152.10716	0.6
155.10637	0.5
159.02965	0.7
159.11688	0.6
160.09711	1.0
165.09071	1.1
182.15408	0.4
183.13776	0.5
185.11812	1.0
191.10896	0.4
194.19037	0.5
199.11296	0.4
208.17012	0.5
209.11713	0.8
212.16446	2.8
220.17065	0.6
227.12889	0.8
228.16156	0.5
230.17494	0.8
233.11812	0.6
234.18500	0.4
236.20123	0.7
238.18068	1.9
239.16301	0.4
244.15424	1.0
245.13844	2.3
251.12975	0.4
252.19666	0.6
254.21170	6.1
256.19107	4.8
257.08148	0.5
262.18069	0.6
280.19089	6.8
298.20175	5.9
304.13992	0.5
316.21216	100.0
317.21497	1.5
322.14911	2.6
412.26999	1.4
430.28119	3.9
434.06949	0.4
463.17191	0.5
478.26733	3.4
520.27478	6.7
525.71765	0.4
546.24719	1.0
564.26550	64.5
565.26874	1.6
627.39374	0.4
660.32056	1.2
678.32416	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	677.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16413	0.4
53.03938	0.6
55.01877	0.6
55.05508	0.9
57.03424	0.5
67.05518	0.9
69.03432	3.0
69.07066	0.6
70.06573	0.7
70.89843	0.4
70.90173	0.6
73.02920	0.7
78.03454	0.5
79.05493	1.4
80.05006	5.3
81.07059	2.2
82.06576	1.0
83.04977	0.9
83.08584	0.6
85.02905	5.3
91.05468	1.5
92.38587	0.4
93.07044	2.3
95.04977	1.1
95.08607	3.5
95.09174	0.5
96.04491	1.4
96.08145	0.4
97.02893	5.3
97.06483	0.5
100.07610	3.3
101.07902	0.5
103.05426	0.5
105.03434	0.5
105.07021	2.2
106.02923	2.4
107.04974	0.5
107.08578	1.8
108.08144	0.5
109.06521	0.8
109.10168	1.2
115.03927	5.6
117.06984	0.6
119.08590	1.8
120.08128	0.9
121.10120	1.5
122.09679	1.2
123.05555	55.0
123.11725	0.9
124.03955	37.8
124.07573	0.7
125.07121	0.4
128.06198	0.6
129.07010	0.6
131.04883	0.5
131.08578	2.1
133.06441	0.5
133.10149	2.0
134.06001	0.4
135.11670	0.5
137.05942	0.7
140.03415	0.6
141.06569	2.7
142.04985	1.6
143.08546	1.2
145.10110	1.4
147.08110	0.6
147.11702	1.1
148.07574	2.9
149.09599	0.7
155.08530	0.7
156.09235	0.5
157.10121	1.5
159.11690	0.7
160.09711	1.9
161.06020	0.7
161.09778	0.6
165.06721	0.6
165.10240	4.3
166.08647	3.7
169.10121	1.0
171.11714	1.7
171.93672	0.5
173.13268	1.1
175.14845	0.7
178.04985	1.3
183.11549	1.3
184.09793	0.8
185.13258	0.9
187.14748	0.8
188.03366	0.6
189.16394	1.0
195.11624	0.7
196.12119	0.6
197.13274	0.9
199.11131	0.5
199.14745	0.4
205.06081	11.3
206.04483	13.3
207.07681	0.8
211.14807	0.5
213.16347	0.7
223.14784	0.7
224.15230	0.5
225.12785	0.6
231.17419	0.8
233.13377	0.5
235.07033	0.5
236.05447	0.4
238.07185	0.5
243.06046	0.5
253.08208	15.6
254.06592	19.0
255.09764	64.6
256.08157	69.0
275.14139	0.5
280.11838	0.7
281.22543	1.9
297.14465	5.5
298.12900	3.1
299.23801	2.1
317.24704	3.1
325.13947	38.2
326.12335	100.0
327.12680	1.4
330.53720	0.5
343.15027	16.5
535.74512	0.4
550.21960	0.7
587.61786	0.5
627.85492	0.5
641.30499	0.5
659.39844	1.9
660.36664	0.6
677.37219	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	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
53.32903	1.7
55.05513	15.1
57.03440	9.1
57.07073	3.8
58.06590	1.9
60.44036	2.0
61.02930	15.7
65.10172	1.7
67.05508	78.2
69.03423	4.1
69.07079	12.1
69.46534	8.8
69.46944	5.2
71.04984	3.9
71.08595	2.0
73.02912	6.3
77.03978	1.9
78.74416	1.7
79.05070	2.5
79.05495	40.8
81.03416	5.3
81.07058	84.1
83.04974	2.4
83.08606	9.6
83.89495	1.8
85.02911	23.6
85.06535	2.0
88.41759	1.9
88.85757	1.8
88.86364	2.1
91.03957	21.2
91.05486	27.6
93.06474	3.5
93.07046	61.0
95.04957	4.6
95.08609	69.0
97.02909	12.5
97.06528	3.7
97.10165	4.5
99.08093	4.2
103.05463	23.1
105.03394	6.2
105.07044	17.6
107.08593	41.1
109.06518	2.8
109.09474	2.9
109.10162	37.1
111.08045	3.1
113.17448	1.7
117.07053	10.5
119.08583	20.1
121.10149	38.2
122.56824	1.8
123.08049	2.0
123.11716	21.9
125.09598	2.4
127.03900	4.5
130.07831	1.8
131.04936	49.4
131.08563	22.0
133.06516	3.2
133.10143	15.6
135.08023	3.1
135.11699	30.2
137.13234	7.4
143.08643	2.1
145.05011	10.8
145.06415	1.9
145.10124	16.3
147.07986	2.4
147.11716	12.7
149.13275	22.3
150.44052	2.0
151.11183	2.1
157.10097	3.1
159.08029	2.3
159.11702	13.4
161.09563	2.3
161.13228	10.7
163.06033	12.1
163.11130	2.6
163.14842	19.9
165.12726	2.6
169.10117	2.7
171.11702	4.8
173.13261	18.5
175.14862	4.5
177.16360	6.7
179.14304	2.4
180.18369	1.7
183.11711	2.6
185.09547	2.7
185.13277	2.5
187.14816	10.4
191.14365	2.0
197.13257	1.8
199.11133	2.5
201.16359	4.3
205.15900	2.3
211.11298	1.9
213.12662	3.6
233.22711	3.9
243.21111	37.5
261.22150	100.0
279.23267	5.4
321.04739	1.9
335.25775	33.4
353.26886	46.3
358.16400	2.6
358.66147	3.9
406.74802	1.9
497.31244	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	677.317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87075	2.0
53.03944	9.0
55.01870	5.2
55.05309	2.3
55.05518	27.3
59.31679	2.1
61.23559	2.5
67.05516	5.0
69.03422	3.6
69.07066	2.6
69.21724	9.2
69.22146	12.8
73.16644	2.6
76.25002	2.2
77.03927	4.0
77.70464	2.7
79.05490	12.2
81.03408	4.3
81.07079	11.5
83.04984	41.3
85.02927	3.3
90.67602	2.7
91.01816	2.0
91.05483	23.1
93.07040	9.9
95.04979	18.1
95.08620	3.4
98.20795	5.2
101.02367	7.1
103.05493	19.9
103.20271	2.2
105.03400	100.0
105.04472	4.3
105.07030	24.6
107.04960	5.3
107.08566	5.0
109.06537	5.0
115.05474	7.7
117.07024	13.9
119.04916	4.8
119.08593	26.9
120.61945	2.0
121.06504	6.2
121.10173	5.3
123.08086	6.5
128.06223	6.9
129.06989	8.7
131.04938	42.3
131.08586	12.5
133.06534	12.6
133.10133	16.0
135.08073	9.7
141.06990	3.7
142.07797	7.5
143.08582	17.2
145.06497	17.5
145.10138	13.4
146.07253	3.3
147.08060	10.5
147.11705	2.9
149.09630	6.7
152.06233	2.3
155.08575	8.0
156.09372	11.2
157.10127	27.1
158.07236	2.9
158.52133	2.3
159.08054	12.6
159.11725	12.3
161.06000	14.0
161.09613	8.6
162.09099	2.6
163.07600	10.8
163.11169	3.6
165.06990	5.7
165.09142	4.2
167.08565	4.4
169.10123	19.9
170.10899	14.8
171.08061	10.2
171.11699	44.3
173.05983	11.8
173.09590	14.8
173.13295	3.4
175.07611	4.1
175.11194	3.3
177.08986	4.7
179.08551	7.1
180.09328	3.9
181.10152	13.8
182.05235	2.6
182.10887	4.7
183.08182	3.0
183.11691	50.7
184.12317	4.9
185.09682	13.0
185.13290	33.8
187.07593	3.6
187.11201	7.9
189.05463	2.8
189.09123	7.2
191.06989	5.0
192.09319	4.5
193.10205	13.4
194.10895	5.7
195.08058	3.8
195.11702	16.0
196.08846	2.7
197.09628	12.7
197.13281	8.9
198.10391	2.8
199.07600	3.4
199.11211	20.4
200.11806	2.6
201.09206	3.5
201.12820	7.7
203.10612	2.7
205.08453	2.6
205.10310	4.7
206.10936	8.2
207.11745	24.6
208.12450	8.8
209.09711	6.2
209.13307	12.6
210.10590	2.5
211.11194	15.8
211.14622	2.7
213.09219	6.0
213.12704	28.3
216.09329	3.5
217.10207	4.4
217.12209	2.2
218.10928	3.5
219.08144	2.9
219.11725	8.7
220.12436	7.1
221.09636	5.5
221.13243	16.0
222.13971	6.5
223.11174	9.4
223.14735	13.6
224.15656	2.9
225.12685	6.9
227.10641	5.6
229.10205	4.6
229.12286	7.8
230.10905	6.4
231.09918	2.7
231.11937	5.4
231.13852	4.3
232.12471	5.0
233.13234	9.1
234.10292	2.4
234.13994	5.2
235.11179	7.6
235.14778	12.5
236.15587	3.6
237.12709	9.6
237.16374	28.7
239.14337	3.8
241.10042	3.1
241.12256	5.1
243.11763	7.7
243.13968	4.7
244.12453	7.6
245.13237	13.0
245.15448	15.0
246.14111	4.8
247.11211	6.1
247.14819	11.0
248.11931	4.5
248.15594	2.7
249.12732	11.7
249.16403	9.3
250.13437	3.8
251.10628	3.3
251.14413	12.2
255.13884	3.3
256.12479	3.5
257.13293	7.4
258.14026	5.6
259.11050	3.2
259.14828	10.4
260.11874	6.0
260.15497	4.7
261.12683	7.1
261.16446	8.3
262.09943	2.2
262.13571	4.3
263.14304	7.9
263.17856	6.1
264.15079	2.9
265.12265	2.8
265.15872	15.0
267.13943	5.6
269.13458	4.0
270.13974	5.9
271.10934	3.2
271.14862	6.0
271.17645	2.9
272.11835	3.1
272.15625	3.3
273.12549	7.9
273.14828	7.6
273.16833	3.9
274.13428	4.0
275.14221	8.5
277.12592	2.8
277.15674	11.1
278.16504	4.5
279.13907	6.7
279.17468	9.6
281.15390	3.0
283.14395	3.7
284.11890	3.1
285.12811	4.6
285.16370	4.6
286.13541	7.3
287.11215	3.0
287.14258	9.6
287.17465	3.7
288.15152	4.1
289.15692	8.0
291.17282	8.7
293.15378	4.6
295.17017	4.0
299.14316	6.7
300.15222	2.8
301.12537	2.9
301.15894	9.1
303.13824	4.5
303.17212	4.0
305.15356	5.7
307.16998	13.1
309.18442	2.8
313.15695	6.5
315.13800	4.8
315.17322	9.1
317.11853	2.4
317.15463	6.6
319.13455	3.7
319.16946	8.7
321.18475	2.8
325.18484	2.9
327.13904	3.8
327.17468	3.6
329.15396	5.6
329.19070	3.1
331.16968	11.3
333.18423	7.2
335.16434	4.4
337.18005	4.8
343.17041	17.6
345.14655	5.4
345.18552	3.4
347.16318	5.5
357.18600	10.6
359.16263	2.9
361.18051	18.8
363.19772	4.1
365.17566	10.5
367.15198	5.0
367.19357	3.7
371.16345	5.2
373.17914	9.0
375.19598	9.1
377.17386	2.9
379.19046	23.2
381.16916	3.3
385.17914	12.3
389.17413	18.9
389.21768	3.1
393.16742	5.0
397.19971	6.2
399.18558	4.5
403.18848	11.8
405.20883	3.7
407.18365	26.8
417.21216	16.4
421.20096	5.3
423.17874	3.2
425.19601	14.8
435.16794	4.3
435.21631	10.3
439.21075	13.8
441.19077	4.2
453.18573	5.5
457.22250	7.1
467.20709	9.9
485.21625	8.8
495.24103	3.8
499.23590	2.8
503.22647	2.8
537.25647	2.9
545.26917	2.5
575.07751	2.4
645.28827	9.5
659.28040	5.7
677.31885	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	677.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.8
55.05511	36.7
65.03907	4.8
67.05485	6.2
69.24034	25.3
69.24442	9.0
71.01361	4.8
79.05483	15.4
81.07043	10.7
83.04990	66.1
85.02891	5.9
88.57816	4.3
91.05479	14.8
92.43420	3.8
93.07037	13.1
95.04965	18.6
95.08604	11.0
97.01112	3.9
97.02917	4.8
103.05447	16.8
105.03393	13.8
105.07030	15.3
107.04954	5.3
107.08569	8.0
109.06480	6.8
111.04459	4.1
117.07016	6.1
119.04933	4.4
119.08588	23.6
123.08051	6.0
125.97705	4.0
128.06149	4.6
129.06996	9.9
131.04955	32.5
131.08568	11.9
133.06483	13.3
133.10146	11.1
135.08008	4.4
141.07018	4.1
143.08557	15.7
145.06494	11.0
145.10118	7.4
147.08022	11.1
149.09610	7.6
151.06209	3.8
155.08521	5.7
156.09354	7.9
157.10101	25.9
159.08072	22.3
159.11729	13.2
161.05927	8.8
161.09654	6.8
163.07568	6.4
169.10152	19.4
170.10860	12.1
171.08017	5.6
171.11714	20.7
173.05966	5.1
173.09627	17.4
173.13248	7.7
175.07495	6.4
179.08557	8.6
180.93687	4.5
181.10141	11.2
183.08011	6.5
183.11723	41.9
185.09683	9.9
185.13254	13.1
187.07547	5.7
187.11159	9.5
189.12749	4.2
192.09412	5.1
193.10094	11.1
194.10909	8.0
195.11694	14.7
197.09648	10.8
197.13258	6.8
198.10529	7.2
199.11174	16.9
201.12856	9.7
203.08577	6.1
205.10158	9.1
206.10887	7.3
207.11697	21.9
208.12392	6.2
209.09601	7.2
209.13322	9.6
210.10474	4.8
211.11195	17.8
213.09198	5.3
213.12724	13.8
215.08644	4.4
216.09433	4.5
217.10127	11.9
218.10835	6.4
219.11781	10.0
220.12486	12.4
221.13226	19.1
222.14041	8.3
223.11292	7.0
223.14708	8.3
225.12753	10.2
227.10664	6.3
229.10150	12.2
229.12241	7.6
230.10945	13.2
231.11674	18.1
231.13681	5.9
232.12460	17.4
233.09756	7.2
233.13275	22.4
234.13969	12.7
235.11229	10.5
235.14838	13.7
237.12730	8.3
237.16338	13.7
241.12212	4.5
242.10895	8.3
243.11688	14.7
244.12471	17.5
245.13457	23.9
246.10397	6.6
246.13991	13.6
247.11223	16.6
247.14896	28.6
248.15607	13.8
249.12859	19.5
249.16449	14.8
251.14238	9.2
253.10060	4.7
255.11650	4.8
256.12582	8.5
257.09631	6.0
257.13293	14.2
258.14041	10.0
259.11154	10.6
259.14777	13.1
260.11978	9.7
260.15576	8.2
261.12714	18.4
261.16602	20.9
262.13507	16.1
263.14294	13.3
263.18045	23.6
265.15976	10.2
267.11581	4.3
268.12231	4.9
269.09625	9.2
269.12906	5.2
270.10449	5.7
270.13968	4.4
271.11069	14.6
271.14645	12.9
272.11969	7.2
272.15622	6.3
273.12805	7.8
273.16321	19.0
274.13541	13.5
275.10757	4.0
275.14243	25.7
275.17441	6.7
276.15118	10.3
277.12527	5.1
277.15829	23.9
277.18616	3.8
279.14020	3.9
284.11880	8.1
285.12897	18.7
286.13583	11.6
287.14252	14.9
287.17679	8.4
289.16034	22.0
291.14096	7.5
291.17410	44.0
295.16833	4.8
298.13498	5.2
299.10776	7.4
299.14310	16.0
300.15030	7.4
301.12561	6.5
301.15826	29.2
303.13809	8.4
303.17276	4.6
304.14548	7.7
305.15555	8.7
305.18823	5.3
307.16870	12.0
308.86990	3.7
309.18356	9.6
311.14359	5.6
313.12134	9.2
314.13065	6.1
315.13937	7.3
315.17404	29.1
317.15396	12.7
319.16925	31.3
321.18491	6.1
323.19998	6.5
325.15909	6.8
327.13770	11.9
328.14673	10.0
329.15344	16.9
331.16849	7.1
333.18372	14.4
335.16476	7.3
337.18115	11.2
339.19525	5.2
343.16922	36.6
345.14746	11.8
347.16336	25.3
347.20084	5.9
349.18008	7.3
351.19574	13.1
357.14682	9.0
359.16440	10.9
361.18008	41.4
363.15869	5.8
365.17426	10.7
367.19098	28.0
369.20886	5.7
371.16467	32.5
375.15781	10.4
375.19818	8.1
379.19037	26.6
387.16000	5.4
389.17435	34.1
393.16605	5.6
397.19971	8.8
399.15997	8.4
403.19019	12.7
405.16867	5.6
406.35742	4.4
407.18491	29.6
409.19986	7.0
417.16782	12.3
421.19983	14.4
425.19458	15.0
431.18335	12.2
435.17841	15.1
439.21088	11.0
449.19675	13.4
457.22043	13.4
467.20465	15.6
484.16052	8.7
485.21930	10.7
497.16644	5.7
498.18076	8.0
499.17828	23.6
517.24268	6.7
553.24060	5.1
567.27197	4.9
645.23969	7.3
646.24677	5.2
659.25824	9.4
677.26599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15626	3.4
51.00237	2.6
51.58811	3.2
53.03937	12.6
55.05266	5.0
55.05515	72.6
67.05498	12.0
68.66452	2.8
69.03420	10.0
69.07085	3.0
69.30864	22.9
69.31271	7.6
70.26612	3.2
71.04996	3.1
76.16034	2.9
77.36771	3.5
79.05485	13.5
81.03407	5.9
81.07052	12.4
83.04991	97.0
85.02891	6.2
91.05482	25.9
93.07030	13.4
95.04983	21.8
97.02907	3.4
97.06523	5.1
101.02364	12.9
103.05489	31.7
104.17331	3.8
105.03403	51.2
105.04535	4.4
105.07040	29.8
106.03991	3.3
107.05000	5.0
107.08583	12.0
109.06499	9.4
110.06589	3.0
111.04431	10.4
112.77905	3.2
115.05458	7.3
117.07054	20.2
119.08589	25.0
121.06521	18.3
121.10203	4.3
123.08077	17.4
127.03931	6.3
128.06215	4.5
129.06999	9.1
131.04025	4.3
131.04938	53.4
131.08572	12.6
133.06471	10.5
133.10091	12.9
135.08060	10.6
137.02324	9.4
137.05968	7.5
142.07780	8.0
143.08562	18.8
145.06491	9.3
145.10129	11.8
147.08044	12.7
149.05981	7.2
149.09618	6.9
153.06987	7.0
155.08571	13.3
156.09332	12.8
157.06438	3.7
157.10139	33.7
158.10782	3.0
159.08089	17.1
159.11714	12.6
161.05988	10.7
161.09612	9.2
163.07556	8.1
165.07036	5.3
166.07791	6.5
167.08586	12.5
168.09258	4.2
169.10173	29.8
170.10887	20.4
171.08040	12.5
171.11688	36.6
173.09630	16.6
173.13271	6.4
175.07562	6.2
175.11285	3.6
177.05431	4.6
177.09142	12.2
178.07716	5.1
179.08569	16.1
180.09338	8.0
181.10127	24.6
182.10912	4.9
183.08112	7.6
183.10069	4.0
183.11705	63.4
184.12491	12.1
185.09630	12.1
185.13297	20.8
187.11124	7.6
189.09094	4.8
191.08603	3.0
191.10635	5.9
192.09346	10.4
193.08586	5.3
193.10147	30.5
194.10912	18.6
195.08110	6.5
195.11716	32.8
196.08881	3.5
197.09682	17.0
197.13268	12.1
198.10402	6.4
199.11218	18.3
201.09094	4.3
201.12785	10.6
203.08620	5.0
203.10609	4.7
205.08466	6.1
205.10172	7.8
206.10854	10.4
207.11720	46.7
207.13553	6.5
208.12529	30.4
209.09628	12.0
209.13263	36.9
210.10388	9.4
211.07428	4.0
211.11189	27.1
211.14880	6.0
212.11876	6.0
213.09059	6.1
213.12756	19.3
215.08675	3.9
215.10706	5.4
216.09323	5.2
217.10190	8.9
217.12137	4.8
218.10881	7.5
219.11792	17.8
220.12511	18.8
221.09669	5.9
221.13235	47.9
222.10399	9.0
222.13976	17.3
223.11473	16.2
223.14827	50.0
224.15662	6.8
225.09116	4.1
225.12750	13.4
225.16345	8.5
227.10672	7.6
229.10284	6.3
229.12245	7.4
230.10851	11.2
231.11699	24.8
231.13780	8.3
232.12558	16.1
233.09673	7.9
233.13278	23.9
234.14038	11.9
235.11180	30.0
235.14848	26.4
236.11967	7.9
236.15627	10.4
237.12823	22.6
237.16399	85.8
239.10719	7.7
239.14326	12.7
241.12286	7.9
242.10863	3.6
243.11732	11.6
243.13878	5.8
244.12451	9.5
245.09483	6.2
245.13435	16.0
246.10374	5.5
246.14069	14.9
247.11221	15.0
247.14914	22.3
248.11974	9.7
248.15604	7.7
249.12776	26.3
249.16403	15.9
250.13559	4.6
250.17020	3.7
251.10634	3.8
251.14340	64.1
251.17314	4.1
251.17976	4.1
253.12273	7.9
253.15865	5.6
255.11710	4.9
256.12540	5.2
257.13303	9.2
258.13971	10.8
259.11172	4.7
259.14767	13.6
260.11972	8.0
260.15689	6.1
261.12759	20.8
261.16644	17.5
262.13477	9.3
262.17184	4.1
263.14368	23.6
263.17816	17.2
264.15030	10.6
265.12137	5.1
265.13004	4.9
265.15915	40.8
267.13818	10.4
268.12442	5.6
271.11084	6.1
271.14902	9.0
272.12128	3.7
272.15714	4.6
273.12640	11.0
273.16327	11.6
274.13586	7.8
275.14252	12.8
275.17859	3.7
276.14957	4.2
277.12796	4.7
277.15842	21.8
278.16705	6.6
279.13882	19.7
279.17432	46.4
281.15396	10.5
283.16946	12.8
285.12527	6.3
285.16263	6.9
286.13455	6.6
287.11078	3.9
287.14349	14.7
288.15112	6.9
289.15805	14.9
291.13815	9.4
291.17432	15.3
293.12094	5.9
293.15372	11.7
295.13562	7.0
295.16946	16.0
298.13858	3.3
299.14212	10.3
299.17670	3.9
300.15106	5.0
301.15735	9.5
303.13840	10.1
303.17322	6.9
305.15363	14.2
305.18930	4.8
307.13406	6.5
307.16922	49.8
309.15067	5.6
315.13913	5.7
315.17422	10.5
317.15466	20.3
317.18622	4.7
319.16901	14.3
321.14795	8.3
321.18533	8.4
323.16577	5.3
325.18127	27.7
328.14719	7.3
329.15262	8.7
331.16904	8.9
333.14816	5.8
333.18393	7.9
335.16519	23.5
337.17975	7.4
343.16794	17.5
345.14847	7.7
345.18619	7.8
347.16412	18.7
349.14200	7.1
349.18027	6.8
353.17447	13.9
359.16187	4.5
361.13998	6.2
361.18002	48.8
363.15857	12.3
363.19800	5.9
365.17563	26.4
367.15393	8.7
371.16562	12.6
373.18073	9.2
375.15869	5.8
379.19019	41.5
381.16998	6.4
383.18488	4.5
385.19836	8.0
387.15601	4.1
389.17538	74.2
390.85272	3.1
391.15024	6.7
391.19418	5.5
393.16669	7.4
393.20978	5.2
397.20056	23.7
399.18234	31.9
403.19165	4.4
405.16534	5.6
407.18594	100.0
411.21579	10.2
417.16736	30.9
419.18414	8.9
421.20132	9.4
425.19690	62.3
435.17731	28.3
437.19376	7.7
439.21149	19.1
443.20657	4.9
449.19492	9.2
453.19119	12.1
455.20712	7.3
457.22281	33.9
467.20569	25.1
471.20032	12.5
473.21780	7.3
485.21619	19.8
499.22964	13.4
507.23477	3.7
517.24139	11.4
535.23743	5.4
545.27814	6.1
553.23932	6.3
645.29041	17.0
677.31586	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.5
53.57511	4.3
55.01871	6.2
55.05265	5.0
55.05510	61.2
57.03429	5.3
57.69168	4.5
67.05489	17.6
67.62068	4.5
69.03424	9.3
71.04992	4.8
71.55975	7.7
75.76602	4.3
77.18483	4.1
79.05486	20.5
81.03413	10.5
81.07043	17.9
81.07461	4.6
83.04482	6.6
83.04983	100.0
85.02894	8.2
85.06503	5.8
91.05484	35.0
93.07048	24.4
95.04994	25.2
95.08583	13.2
95.20760	5.0
101.02354	8.1
103.05443	13.8
105.03389	60.5
105.07023	35.5
107.04922	8.1
107.08580	21.6
109.06521	10.4
115.05502	6.9
117.07009	19.6
119.04900	8.7
119.08592	36.0
120.08862	5.5
121.06504	11.6
121.10126	8.3
123.04425	4.9
123.08051	17.2
127.03892	8.0
129.07002	12.3
131.04919	14.3
131.08557	20.3
133.06454	13.6
133.10121	20.8
135.08049	11.4
137.02342	8.8
141.06940	7.4
142.07787	8.5
143.08560	13.8
145.06493	13.9
145.10097	18.6
147.08034	17.8
149.09569	8.0
153.06934	5.4
153.81410	4.4
155.08516	19.6
156.09305	14.2
157.10110	41.0
159.08044	21.9
159.11678	17.4
161.05989	15.6
161.09621	10.4
163.07481	6.2
167.08511	9.3
168.09334	9.7
169.10127	30.6
170.10860	21.7
171.08022	8.8
171.11678	50.4
172.12138	6.7
173.05981	16.0
173.09587	16.3
175.07468	7.5
177.05563	6.3
177.09126	11.3
178.07764	5.6
179.08568	13.2
180.09314	9.3
181.10121	19.3
183.08029	7.7
183.11697	78.1
184.12146	12.7
185.09630	20.6
185.13274	32.4
187.11217	8.9
189.09131	9.2
192.09311	7.2
193.10112	26.7
194.10945	8.8
195.08090	5.9
195.11729	24.4
197.09647	13.3
197.13252	13.5
198.10320	7.0
199.11111	17.6
201.12665	12.3
203.10620	7.1
205.08450	5.3
205.10219	8.1
205.12183	5.2
206.10889	13.4
207.11751	33.2
208.12454	24.9
209.09659	7.2
209.13261	26.5
210.10411	5.2
211.11127	26.2
211.14809	7.8
213.09044	8.4
213.12746	25.9
214.13080	6.0
215.10587	6.9
217.10188	9.8
217.12259	7.6
218.10838	6.9
219.08214	8.1
219.11678	15.0
220.12407	10.5
221.09735	6.3
221.13306	31.9
222.14084	13.8
223.11201	12.5
223.14832	43.7
224.11781	8.7
224.15517	7.0
225.12704	14.1
227.10703	7.3
229.12259	11.1
230.10852	8.0
231.11603	18.5
231.13762	9.1
232.12373	12.3
233.13223	18.4
234.10370	5.7
234.13896	10.2
235.11243	25.5
235.14830	25.4
236.11917	7.9
236.15385	6.4
237.12692	20.0
237.16362	59.2
239.10760	7.5
239.14381	10.5
241.12181	5.3
242.10939	6.5
243.11693	7.0
243.13832	11.1
244.12454	17.5
245.09616	6.1
245.13206	23.4
245.15488	9.6
246.14017	14.3
247.11153	11.7
247.14964	24.5
248.15349	8.0
249.12773	19.6
249.16347	13.2
251.14301	40.8
256.12360	6.2
257.13184	7.8
258.14142	11.0
259.11212	6.6
259.14691	14.1
260.11801	7.5
260.15503	7.1
261.12659	15.7
261.16522	11.7
262.13449	7.9
263.14276	19.9
263.17850	15.6
264.15164	5.4
265.12164	6.5
265.15903	24.5
267.13876	13.8
271.11127	6.0
271.14658	8.0
272.11981	6.2
273.16449	7.0
275.14297	21.0
275.17563	6.1
276.14984	6.9
277.12314	8.8
277.15781	16.6
279.13797	13.0
279.17471	22.7
283.17087	6.6
285.12793	8.8
285.16272	6.2
286.13455	8.0
287.10779	5.1
287.14340	14.0
289.12192	7.1
289.15689	11.1
291.14001	8.6
291.17340	18.0
292.14130	5.2
293.15414	11.9
295.16901	8.5
299.14267	11.8
300.14935	7.7
301.15582	7.1
303.13828	7.5
305.15405	8.5
307.16858	32.6
311.13965	5.4
315.17380	15.0
317.15240	8.5
319.16928	12.6
321.18466	9.1
323.16513	7.7
325.17899	19.3
329.15237	9.5
331.13177	5.5
331.16931	9.5
333.18289	9.8
335.16296	15.7
337.18262	5.4
341.15576	5.6
343.16742	19.2
347.16492	18.0
353.17487	6.7
359.16354	5.8
361.17914	43.9
363.15817	10.7
365.17456	11.5
367.15030	5.8
367.19092	7.9
369.09616	18.3
371.16455	4.9
373.17917	6.9
375.19910	7.4
379.19193	29.7
389.17337	57.3
393.20871	5.3
397.19913	9.1
399.17725	16.5
403.19278	5.7
405.20813	6.2
407.18564	73.9
411.21393	10.3
417.16660	20.7
421.19910	11.7
425.19540	37.0
431.39648	5.9
435.17691	25.4
437.19754	6.2
439.21271	28.5
449.19476	9.3
452.21198	5.6
453.19016	11.3
457.22372	26.9
462.29221	12.6
467.20374	13.5
485.21762	14.4
499.23068	11.4
504.38657	5.8
545.26917	6.1
645.28436	10.7
677.32263	36.4
678.31970	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	677.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.1
55.01859	5.8
55.05515	21.7
56.31909	1.8
67.05493	5.8
69.03418	5.3
69.07065	3.1
71.55700	2.8
72.08138	2.8
77.03915	3.0
79.05505	10.8
81.03425	4.3
81.07053	10.1
83.04982	25.2
85.02910	2.0
87.04460	1.7
91.05485	19.2
93.07041	10.8
95.04970	16.4
95.08599	3.2
97.06513	2.5
101.02380	2.1
103.05457	6.6
105.03394	100.0
105.04483	3.0
105.07040	21.6
107.08597	7.6
109.06513	6.6
111.04454	3.7
115.05433	7.6
116.06281	2.5
117.07023	11.9
118.06586	2.4
119.04892	2.4
119.08587	18.5
121.06509	5.9
121.10144	3.7
123.08077	5.0
127.03889	2.1
128.06172	4.6
129.06998	7.5
130.07788	2.3
131.04935	6.2
131.08559	11.4
133.06500	10.2
133.10141	11.1
135.08075	7.2
137.09602	2.3
141.06989	3.5
142.07780	5.8
143.08549	13.1
145.06494	11.4
145.10123	12.4
147.08054	10.0
147.11716	2.6
149.06003	3.3
149.09622	7.8
155.08533	8.6
156.09355	11.9
157.10133	19.5
158.07278	2.9
159.08072	13.8
159.11700	5.8
161.05992	13.9
161.09657	10.0
163.07558	11.0
163.11134	3.1
165.06978	4.1
165.09113	1.8
167.08600	4.7
168.09271	2.0
169.06419	2.0
169.10133	14.3
170.10953	11.3
171.08054	8.0
171.11682	39.4
172.08842	2.4
173.06024	12.0
173.09607	8.4
173.13162	1.8
175.07497	4.0
175.11258	1.8
177.09076	5.0
179.07054	1.8
179.08546	4.9
180.09306	2.4
181.10123	11.9
183.08102	4.2
183.11710	45.6
184.09000	1.5
184.12399	3.2
185.09583	8.5
185.13240	31.4
186.10413	1.7
187.07536	2.2
187.11177	6.0
189.05495	5.5
189.09109	5.6
191.07030	3.6
192.09299	4.5
193.10088	10.6
194.10840	5.3
195.08131	4.8
195.11710	13.2
197.09589	10.3
197.13284	9.6
198.10416	2.4
199.11247	14.5
201.09041	3.6
201.12773	7.6
203.10648	2.7
205.08556	3.7
205.10286	2.8
205.12257	4.7
206.10913	6.3
207.10129	2.1
207.11707	17.3
208.12416	8.1
209.09575	4.9
209.13327	13.0
211.11261	12.5
213.09073	3.2
213.12744	22.4
215.10628	5.7
216.09229	2.5
217.10143	5.5
217.12122	2.3
218.10860	4.7
219.11676	7.0
220.12411	6.2
221.09711	3.2
221.13237	17.6
222.13992	4.9
223.11319	8.0
223.14771	14.4
224.15536	2.4
225.12737	5.3
225.16344	2.9
227.10640	3.7
227.14368	1.7
229.10132	4.0
229.12357	5.7
230.10825	3.0
231.11667	8.9
231.13773	3.9
232.12430	4.6
233.13243	7.3
234.10428	3.2
234.14012	6.3
235.11169	8.4
235.14868	10.5
237.09265	2.4
237.12685	6.3
237.16396	23.5
239.10619	2.2
239.14342	4.7
241.12228	5.5
243.11760	4.5
243.13857	4.8
244.12462	6.8
245.13202	7.8
245.15417	13.4
246.10350	2.0
246.14049	5.0
247.11192	4.5
247.14919	6.8
249.12689	7.8
249.16354	5.6
251.10599	2.7
251.14325	16.9
251.18126	2.1
253.12277	2.8
255.11526	3.5
255.13853	4.2
256.12436	4.0
257.13239	7.4
258.14005	5.0
259.11029	4.0
259.15134	8.3
260.11887	3.1
260.15720	2.6
261.12814	8.4
261.16409	5.8
262.13669	2.2
263.14291	7.2
263.18021	3.0
265.12476	1.7
265.15860	12.0
267.13879	3.2
270.13940	3.9
271.14859	3.4
272.11890	2.7
272.15497	3.0
273.12534	4.4
273.14948	2.9
274.13455	4.0
275.14340	5.6
275.17831	2.4
276.15231	2.2
277.12241	4.0
277.15881	6.8
279.13858	4.9
279.17444	11.9
282.13965	3.2
283.17224	2.1
285.12714	4.2
285.16251	4.0
286.13666	2.7
287.14200	5.6
287.17728	2.5
288.15088	3.0
289.12247	2.5
289.15768	6.6
291.13724	3.0
291.17221	3.8
293.15399	3.4
295.13416	2.3
295.16849	2.4
297.12558	2.1
298.13525	3.1
299.14188	4.7
300.14908	3.2
301.15942	3.8
303.13657	4.4
303.17282	3.5
305.11905	2.2
305.15503	3.5
307.16876	13.7
310.13388	2.1
313.11908	2.1
313.15851	4.9
315.17401	6.5
317.15326	6.2
319.16818	5.9
321.14938	2.3
323.16202	2.5
325.18073	2.9
329.15210	4.8
329.19016	6.5
331.17014	11.9
333.18500	6.0
335.16333	4.2
337.18069	4.2
343.13220	2.8
343.16891	14.0
344.17603	2.7
345.14764	2.4
345.18539	5.0
347.16483	4.8
349.18167	2.5
353.17432	2.9
357.18506	12.5
359.16248	2.2
361.17966	21.7
363.15704	3.7
363.19849	2.3
365.17395	6.6
371.16141	2.4
373.17935	4.6
375.19565	6.7
377.17532	4.2
379.18948	11.5
385.18100	6.0
389.17331	19.1
393.16666	2.5
397.20111	6.2
399.17868	7.2
403.19086	10.1
405.20544	4.6
407.18378	24.4
407.22607	2.6
411.21628	4.1
417.21353	14.7
421.20102	7.2
425.19608	14.9
435.17459	6.1
435.21738	8.4
439.21167	8.6
453.18491	3.7
453.23599	3.3
457.22189	12.7
461.29349	2.7
462.29327	10.1
463.21472	3.1
467.20496	6.0
471.20175	3.5
473.21518	2.1
477.22647	6.3
480.30484	3.2
485.21603	3.6
495.23529	2.2
499.22989	2.5
517.23749	2.1
627.26025	1.9
645.28906	2.6
659.28552	2.6
677.31824	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	677.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.5
53.57511	4.3
55.01871	6.2
55.05265	5.0
55.05510	61.2
57.03429	5.3
57.69168	4.5
67.05489	17.6
67.62068	4.5
69.03424	9.3
71.04992	4.8
71.55975	7.7
75.76602	4.3
77.18483	4.1
79.05486	20.5
81.03413	10.5
81.07043	17.9
81.07461	4.6
83.04482	6.6
83.04983	100.0
85.02894	8.2
85.06503	5.8
91.05484	35.0
93.07048	24.4
95.04994	25.2
95.08583	13.2
95.20760	5.0
101.02354	8.1
103.05443	13.8
105.03389	60.5
105.07023	35.5
107.04922	8.1
107.08580	21.6
109.06521	10.4
115.05502	6.9
117.07009	19.6
119.04900	8.7
119.08592	36.0
120.08862	5.5
121.06504	11.6
121.10126	8.3
123.04425	4.9
123.08051	17.2
127.03892	8.0
129.07002	12.3
131.04919	14.3
131.08557	20.3
133.06454	13.6
133.10121	20.8
135.08049	11.4
137.02342	8.8
141.06940	7.4
142.07787	8.5
143.08560	13.8
145.06493	13.9
145.10097	18.6
147.08034	17.8
149.09569	8.0
153.06934	5.4
153.81410	4.4
155.08516	19.6
156.09305	14.2
157.10110	41.0
159.08044	21.9
159.11678	17.4
161.05989	15.6
161.09621	10.4
163.07481	6.2
167.08511	9.3
168.09334	9.7
169.10127	30.6
170.10860	21.7
171.08022	8.8
171.11678	50.4
172.12138	6.7
173.05981	16.0
173.09587	16.3
175.07468	7.5
177.05563	6.3
177.09126	11.3
178.07764	5.6
179.08568	13.2
180.09314	9.3
181.10121	19.3
183.08029	7.7
183.11697	78.1
184.12146	12.7
185.09630	20.6
185.13274	32.4
187.11217	8.9
189.09131	9.2
192.09311	7.2
193.10112	26.7
194.10945	8.8
195.08090	5.9
195.11729	24.4
197.09647	13.3
197.13252	13.5
198.10320	7.0
199.11111	17.6
201.12665	12.3
203.10620	7.1
205.08450	5.3
205.10219	8.1
205.12183	5.2
206.10889	13.4
207.11751	33.2
208.12454	24.9
209.09659	7.2
209.13261	26.5
210.10411	5.2
211.11127	26.2
211.14809	7.8
213.09044	8.4
213.12746	25.9
214.13080	6.0
215.10587	6.9
217.10188	9.8
217.12259	7.6
218.10838	6.9
219.08214	8.1
219.11678	15.0
220.12407	10.5
221.09735	6.3
221.13306	31.9
222.14084	13.8
223.11201	12.5
223.14832	43.7
224.11781	8.7
224.15517	7.0
225.12704	14.1
227.10703	7.3
229.12259	11.1
230.10852	8.0
231.11603	18.5
231.13762	9.1
232.12373	12.3
233.13223	18.4
234.10370	5.7
234.13896	10.2
235.11243	25.5
235.14830	25.4
236.11917	7.9
236.15385	6.4
237.12692	20.0
237.16362	59.2
239.10760	7.5
239.14381	10.5
241.12181	5.3
242.10939	6.5
243.11693	7.0
243.13832	11.1
244.12454	17.5
245.09616	6.1
245.13206	23.4
245.15488	9.6
246.14017	14.3
247.11153	11.7
247.14964	24.5
248.15349	8.0
249.12773	19.6
249.16347	13.2
251.14301	40.8
256.12360	6.2
257.13184	7.8
258.14142	11.0
259.11212	6.6
259.14691	14.1
260.11801	7.5
260.15503	7.1
261.12659	15.7
261.16522	11.7
262.13449	7.9
263.14276	19.9
263.17850	15.6
264.15164	5.4
265.12164	6.5
265.15903	24.5
267.13876	13.8
271.11127	6.0
271.14658	8.0
272.11981	6.2
273.16449	7.0
275.14297	21.0
275.17563	6.1
276.14984	6.9
277.12314	8.8
277.15781	16.6
279.13797	13.0
279.17471	22.7
283.17087	6.6
285.12793	8.8
285.16272	6.2
286.13455	8.0
287.10779	5.1
287.14340	14.0
289.12192	7.1
289.15689	11.1
291.14001	8.6
291.17340	18.0
292.14130	5.2
293.15414	11.9
295.16901	8.5
299.14267	11.8
300.14935	7.7
301.15582	7.1
303.13828	7.5
305.15405	8.5
307.16858	32.6
311.13965	5.4
315.17380	15.0
317.15240	8.5
319.16928	12.6
321.18466	9.1
323.16513	7.7
325.17899	19.3
329.15237	9.5
331.13177	5.5
331.16931	9.5
333.18289	9.8
335.16296	15.7
337.18262	5.4
341.15576	5.6
343.16742	19.2
347.16492	18.0
353.17487	6.7
359.16354	5.8
361.17914	43.9
363.15817	10.7
365.17456	11.5
367.15030	5.8
367.19092	7.9
369.09616	18.3
371.16455	4.9
373.17917	6.9
375.19910	7.4
379.19193	29.7
389.17337	57.3
393.20871	5.3
397.19913	9.1
399.17725	16.5
403.19278	5.7
405.20813	6.2
407.18564	73.9
411.21393	10.3
417.16660	20.7
421.19910	11.7
425.19540	37.0
431.39648	5.9
435.17691	25.4
437.19754	6.2
439.21271	28.5
449.19476	9.3
452.21198	5.6
453.19016	11.3
457.22372	26.9
462.29221	12.6
467.20374	13.5
485.21762	14.4
499.23068	11.4
504.38657	5.8
545.26917	6.1
645.28436	10.7
677.32263	36.4
678.31970	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	677.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07124	0.7
55.01857	2.5
55.05507	2.2
62.50103	0.8
66.46314	0.7
67.05487	1.9
69.07037	0.8
69.95341	2.6
77.03909	0.8
79.05493	2.8
81.03414	1.7
81.07040	1.2
83.04965	2.8
91.05499	4.1
93.07034	1.6
95.04977	1.3
98.20747	0.9
98.33087	0.7
105.03419	0.8
105.07030	3.4
107.08571	0.9
107.72958	0.7
117.06996	3.0
119.08576	8.7
123.11810	1.1
128.06227	0.9
129.07010	3.3
131.04909	1.8
131.08531	3.4
133.10107	1.9
143.08551	1.8
145.06485	1.4
145.10103	2.6
147.08047	6.4
149.09616	2.3
155.08498	0.8
157.10130	4.0
159.08073	2.7
159.11685	2.0
161.09604	1.7
169.10101	1.6
171.07886	0.8
171.11696	1.7
172.81926	0.8
173.09602	2.4
175.07578	1.2
183.11728	4.1
185.09602	1.2
189.09143	1.4
197.09644	1.3
201.09181	1.0
221.13419	1.0
231.11584	1.0
365.10410	1.5
390.11676	1.0
402.15448	0.9
415.16199	1.2
429.20569	4.6
431.19095	1.1
489.22403	4.9
515.31934	11.2
517.21680	2.4
573.21814	1.4
577.24286	7.7
590.22131	3.0
601.26831	1.3
617.27600	0.9
645.20721	1.5
677.28851	100.0
677.37402	26.8
678.29645	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	677.2968
Annotation	Henriol D
Peak:m/z	Relative Intensity
51.02368	5.4
53.03947	11.8
55.01865	10.5
55.05496	13.7
66.70217	3.0
67.05495	17.3
69.03429	15.6
69.07063	8.5
71.55077	3.8
77.03933	4.8
79.05499	30.1
81.03426	9.7
81.07068	17.6
83.04981	12.3
91.05492	49.1
93.07043	34.6
95.04990	19.9
95.08631	26.1
103.05490	25.7
105.03401	100.0
105.04475	6.1
105.07031	57.8
107.04939	11.2
107.08587	28.1
109.06530	8.7
109.10149	4.2
115.05431	6.5
116.06295	4.0
117.07020	20.6
119.04957	9.3
119.08594	47.2
121.06511	11.1
121.10146	19.7
122.91667	3.3
123.08080	5.4
128.06227	12.8
129.07019	15.7
130.07811	3.9
131.04929	54.2
131.08574	38.5
133.06500	25.5
133.10139	66.9
135.08101	26.1
135.97612	3.6
137.09535	4.3
141.07005	9.2
142.07774	19.2
143.08582	36.4
145.06487	12.0
145.10129	34.8
147.08075	29.7
147.11694	7.2
149.06009	4.5
149.09637	29.6
151.07544	5.1
153.06941	6.1
154.07770	4.8
155.08545	20.1
156.09366	25.5
157.10147	72.5
159.08083	20.8
159.11784	19.1
161.05969	12.1
161.09630	22.9
161.50040	3.3
163.07507	13.8
163.11211	10.6
165.07033	7.1
167.08519	7.7
168.09373	8.4
169.10159	46.8
170.10919	21.0
171.08133	20.9
171.11707	99.5
172.08766	4.2
173.09633	26.7
173.13202	12.6
175.07510	11.9
175.11143	5.9
177.09093	5.8
179.07114	8.1
179.08618	9.1
180.09370	4.9
181.10065	17.7
182.10936	6.6
183.08089	10.3
183.11703	80.0
184.08884	7.5
184.12350	6.1
185.09665	24.6
185.13286	67.9
187.07578	6.5
187.11162	11.3
189.09128	9.3
191.10721	5.6
192.09323	5.6
193.10211	18.6
194.10938	7.5
195.08040	6.8
195.11723	29.3
196.08864	4.5
196.12433	6.1
197.09659	12.1
197.13304	22.8
198.10277	6.1
199.07542	6.6
199.11186	38.6
200.08661	3.5
200.11908	7.5
201.09145	7.3
201.12811	12.7
203.10710	6.2
204.09419	5.4
205.10278	5.8
205.12244	9.1
206.10934	10.9
207.06641	4.4
207.11734	23.4
208.12468	10.4
209.09595	8.7
209.13364	18.7
211.11189	25.1
211.14883	5.7
213.09180	8.2
213.12752	76.1
215.10710	8.4
216.09265	6.8
217.10175	6.9
217.12129	5.6
218.10907	7.4
219.11740	12.7
220.12465	9.1
221.13287	23.6
222.10512	4.7
222.13948	5.0
223.11198	13.2
223.14784	11.0
225.09058	6.0
225.12791	9.7
227.10614	9.4
229.10252	6.1
229.12244	17.6
230.10768	7.2
231.11681	17.2
231.13855	10.0
232.12485	10.4
233.09677	5.4
233.13341	17.5
233.15327	4.9
234.10269	4.9
234.14023	11.8
235.11215	7.1
235.14839	15.2
236.11966	4.5
237.12793	10.8
241.12238	23.1
243.11697	14.1
243.13870	17.5
244.12524	14.1
245.13232	19.9
245.15440	33.6
246.14055	9.3
247.11160	10.3
247.15022	19.6
248.15656	7.4
249.12819	8.4
249.16551	19.4
251.14485	8.5
251.18185	4.6
255.11580	4.6
255.13901	9.4
256.12335	5.7
257.13538	16.6
257.15570	5.4
258.14029	14.0
259.11203	4.8
259.15073	18.3
260.11902	4.0
260.15619	9.7
261.12692	14.9
261.16391	19.1
262.13449	7.4
263.14407	6.1
263.17950	12.6
265.12189	4.1
268.12506	4.2
270.14108	9.9
271.14767	12.0
272.12054	3.8
272.15512	8.0
273.12366	7.6
273.14581	21.4
273.17148	4.3
274.13458	6.4
275.14212	11.3
275.17862	6.4
276.15051	7.1
277.15912	15.9
279.13806	6.4
285.12659	4.6
285.16626	8.4
287.14505	5.4
287.17795	6.4
288.11649	3.5
288.15091	5.9
289.15903	9.6
291.17325	15.0
297.16098	5.4
300.15085	9.2
301.15805	10.6
303.14130	8.0
303.17374	14.7
305.15103	4.6
305.19034	9.9
307.16776	5.3
309.18478	4.3
313.15524	5.0
315.17365	22.1
317.18991	10.6
319.16928	10.8
319.20477	4.5
321.18521	10.4
325.21368	4.2
327.13803	5.1
327.17282	7.9
329.19016	11.8
331.16922	17.7
333.18561	22.6
337.18134	9.8
341.15344	6.7
343.17032	6.0
345.18588	11.0
347.16223	10.4
347.20044	10.1
349.18063	19.0
351.19598	11.2
355.16718	8.3
357.18512	12.5
359.16364	25.9
361.17920	9.9
363.19531	16.0
365.17566	5.1
366.58133	4.5
367.18939	8.4
369.20355	7.3
373.18030	28.2
375.19550	15.3
377.17377	24.5
379.22931	6.5
381.20901	5.8
387.19421	5.9
389.21213	17.3
391.19055	38.7
393.20776	4.8
395.18314	11.8
401.17560	11.4
405.20575	8.4
407.22272	14.0
409.20004	14.8
419.18573	33.4
421.19904	15.0
423.21765	31.3
433.20258	36.3
435.21201	4.9
437.19608	14.4
451.21271	53.5
469.22229	38.5
476.26547	4.4
555.25586	9.7
617.22229	6.1
645.21503	5.0
677.32648	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	677.2952
Annotation	Henriol D
Peak:m/z	Relative Intensity
53.03936	1.3
55.01852	0.9
55.24258	0.7
67.05494	1.7
69.07077	0.9
77.03931	1.1
78.65923	0.7
79.05502	3.3
80.18761	0.7
81.03441	1.0
81.07054	2.6
91.05473	6.0
93.07046	4.2
95.04970	3.0
95.08618	2.9
97.06509	0.8
98.20664	1.2
103.05467	47.1
105.04498	0.8
105.07040	7.2
107.04943	1.1
107.08598	4.2
109.06448	1.4
117.07007	2.3
119.08577	6.5
120.36457	0.7
121.06463	1.1
121.10145	2.4
123.08093	0.9
128.06221	1.2
129.06978	2.0
131.04930	100.0
131.08583	4.4
132.05197	0.8
133.06500	2.5
133.10143	6.4
135.08069	2.5
141.06995	1.2
142.07771	1.9
143.08569	3.8
145.06500	2.2
145.10130	4.3
147.08028	2.9
149.06026	0.8
149.09596	5.5
153.06949	0.7
155.08585	2.6
156.09355	3.2
157.06506	1.1
157.10156	7.9
159.08038	3.3
159.11684	2.2
161.06006	1.6
161.09605	2.7
163.07437	0.9
163.11238	1.6
165.07014	1.0
167.08578	1.3
169.10155	5.0
170.10951	2.2
171.08058	1.5
171.11676	10.3
173.09671	2.7
173.13292	2.2
175.11133	0.9
177.09187	0.9
179.07016	1.2
179.08562	1.5
180.09383	0.9
181.10121	1.8
183.11668	10.3
185.09671	2.7
185.13264	7.6
187.11273	1.6
189.09076	1.2
191.10783	0.9
192.09369	1.1
193.08556	0.8
193.10109	1.6
195.11742	4.1
196.12535	0.9
197.09589	1.5
197.13306	3.4
199.11218	3.8
200.12041	1.1
201.09064	1.1
201.12764	1.1
205.10229	1.7
206.10965	1.7
207.11694	2.7
208.12540	0.7
209.13315	2.0
211.11197	2.5
213.09274	0.8
213.12691	8.4
215.10677	1.1
217.10225	1.0
219.11690	1.7
220.12531	1.6
221.13293	3.4
223.11253	2.0
223.14842	1.6
227.10710	1.4
229.12314	1.7
230.10818	1.6
231.11720	1.8
231.13692	1.4
232.12462	2.4
233.13260	2.5
234.14049	1.5
235.14740	2.2
237.12787	0.9
239.10802	0.9
241.12286	2.5
243.11621	2.2
243.13882	1.8
244.12515	2.6
245.13354	1.5
245.15428	3.4
246.14069	1.7
247.14981	3.6
249.12724	0.8
249.16370	2.0
255.13884	2.0
256.12546	1.2
257.13275	1.4
258.14023	1.8
259.14865	3.0
260.15497	1.0
261.12589	0.9
261.16461	1.4
263.18033	1.1
270.14001	1.4
271.11047	0.8
271.15060	1.3
272.15656	1.7
273.14935	3.0
274.13629	1.2
275.14194	1.8
276.15045	1.2
277.15894	2.6
283.10944	0.8
285.12894	1.0
285.16245	1.4
287.18005	1.5
291.17523	1.6
297.16382	1.1
300.14966	1.2
301.15894	1.7
301.19009	0.9
303.13901	1.2
303.17453	2.5
305.15408	0.9
305.19058	2.0
307.20947	0.7
313.15652	1.3
315.17398	3.1
317.18930	0.9
318.16351	0.9
319.17084	1.5
323.19940	1.3
324.67523	1.0
327.17227	0.8
329.19006	2.9
331.16965	1.0
333.18518	3.6
345.18484	1.8
347.16339	2.6
347.20032	1.6
349.18124	3.1
351.19742	1.1
357.18680	1.4
359.16467	3.9
361.18005	1.4
363.19421	1.8
365.17294	1.2
367.98453	0.8
373.17905	2.5
375.19528	2.2
377.17377	3.8
389.21155	2.3
391.19150	5.1
401.17737	1.2
405.20663	1.2
407.22015	2.5
409.20108	1.2
419.18497	4.2
421.20163	2.2
423.21487	3.5
433.20041	4.8
437.19662	1.1
451.21155	7.2
469.22098	3.4
529.24445	2.1
633.73108	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2957
Annotation	Henriol D
Peak:m/z	Relative Intensity
53.03940	2.1
55.05510	2.1
60.17062	0.9
63.52734	1.0
67.05499	1.7
69.03416	1.2
69.07055	1.6
69.32198	1.0
69.32544	9.0
79.05487	2.8
81.03365	1.4
81.07047	2.1
83.04988	2.6
88.32053	0.9
91.05472	7.4
93.07036	2.9
95.04967	2.8
95.08604	1.8
98.21456	1.6
103.05474	51.3
104.05784	1.2
105.03383	2.4
105.04527	1.5
105.07037	14.3
107.08607	2.6
109.06487	1.4
112.24718	1.0
115.05473	2.3
115.57227	1.0
117.07031	5.9
119.08575	12.0
121.06504	2.3
121.10143	1.9
128.06236	1.3
129.07004	3.1
131.04938	100.0
131.08575	5.8
132.05289	1.6
133.06509	4.3
133.10129	6.7
135.08038	2.2
141.06981	2.2
142.07773	3.0
143.08586	6.9
145.06485	3.5
145.10110	5.6
147.08044	4.9
147.11656	1.8
147.91667	1.0
149.09598	3.5
153.06960	1.6
155.08589	3.6
156.09335	3.8
157.10153	11.7
159.08081	4.6
159.11693	5.3
161.05986	6.4
161.09607	3.0
163.07536	2.1
163.11224	1.6
167.08531	2.2
168.09305	1.9
169.10182	6.7
170.10895	4.4
171.08049	2.9
171.11708	15.4
172.78287	0.9
173.06038	1.7
173.09653	5.3
175.07602	5.1
175.11194	1.5
177.09099	4.0
179.07066	1.6
179.08543	1.4
181.10083	2.3
183.08124	2.4
183.10081	1.5
183.11700	19.6
184.12163	1.9
185.09709	4.7
185.13283	15.5
186.10434	1.4
187.07529	2.2
187.11159	3.6
189.05400	1.3
189.09137	1.7
191.07062	1.2
191.10602	1.2
192.09268	1.4
193.08614	1.6
193.10153	2.6
195.11700	3.7
197.09610	4.0
197.13205	4.7
199.07538	1.5
199.11246	7.1
201.12761	3.8
205.12146	1.9
206.10815	1.6
207.11746	2.4
209.09625	1.5
209.13202	1.2
211.11183	3.6
213.09128	2.8
213.12737	13.7
214.13168	1.6
215.10591	1.9
217.12210	2.0
218.10881	1.1
219.11740	2.2
220.12431	1.6
221.13252	1.8
223.11177	2.7
223.14810	1.6
225.09149	1.2
227.10646	1.5
229.12228	3.2
231.11729	2.1
231.13750	2.3
232.12410	1.4
233.13446	2.1
233.15428	1.3
235.14983	2.1
237.12808	1.6
239.10690	1.4
241.12256	2.3
243.11588	3.1
243.13875	3.4
244.12471	1.9
245.13353	2.2
245.15422	6.9
247.14833	1.2
251.10736	1.8
255.11629	2.0
255.13933	1.9
256.12341	1.6
258.14005	1.8
259.14865	2.8
260.15515	1.3
261.12503	2.3
261.14941	1.2
265.12445	1.1
269.13187	4.3
270.14017	1.7
273.14838	6.0
275.14325	1.7
275.17905	1.1
283.14810	1.6
284.15765	1.3
285.12921	1.1
285.16333	4.3
287.14310	1.8
287.18079	1.3
291.16122	1.4
297.12943	1.3
298.13544	2.1
299.14307	2.0
299.17896	1.7
301.12317	2.1
301.15915	2.1
303.13623	1.4
303.17163	1.7
313.15836	3.8
315.13797	1.7
316.14478	1.4
317.15466	1.3
317.18954	1.4
327.17456	2.7
329.15292	2.3
331.17090	5.1
341.15338	3.1
343.16901	2.2
345.18427	5.2
347.16327	3.5
347.20184	1.4
349.17761	1.9
355.16824	4.3
359.16406	6.0
363.19754	2.2
371.16278	1.4
373.17984	9.4
377.17410	6.4
389.17331	2.5
391.18890	7.1
401.17377	6.2
403.19193	1.5
405.20612	5.3
415.18964	3.0
419.18567	9.4
421.20071	2.4
423.21667	4.0
433.20093	12.8
437.19730	2.6
451.21133	17.2
469.22327	4.3
471.15601	1.2
484.15671	1.2
485.16272	1.4
499.18130	3.9
511.23151	5.0
529.24841	1.2
645.23932	1.7
646.24390	1.2
659.26263	1.7
677.26593	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	677.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.9
53.03955	8.6
55.01867	3.8
55.05509	4.0
57.50977	0.9
67.05534	1.5
69.03424	1.9
72.68294	1.0
77.03926	1.7
79.05486	6.1
81.07056	4.1
83.01337	1.2
83.04997	5.0
85.02937	1.2
91.05490	11.8
93.07059	5.7
95.04977	8.7
95.08609	3.6
103.05470	3.4
105.03405	100.0
105.04548	3.3
105.07042	16.8
107.04956	3.6
107.08595	5.5
109.06518	2.2
115.05473	6.0
117.07021	11.4
119.08599	11.2
121.06479	1.8
121.10129	1.2
128.06241	4.1
129.07039	3.9
130.07828	1.0
131.04938	4.7
131.08594	9.3
132.40828	1.1
133.06512	7.7
133.10179	8.8
135.08049	5.7
137.05980	1.3
141.07039	2.9
142.07800	4.7
143.08583	10.8
145.06508	11.7
145.10155	7.9
147.08051	6.6
147.11728	1.3
149.06012	1.3
149.09612	4.0
153.07033	1.8
154.07782	1.3
155.08562	5.9
156.09329	6.5
157.06548	1.3
157.10141	14.8
159.08060	6.4
159.11703	3.7
161.06006	13.3
161.09641	5.9
163.07555	8.7
163.11252	2.9
165.07001	2.5
165.09117	1.9
166.07935	1.0
167.08580	2.6
168.09300	2.1
169.10103	8.3
170.10957	6.6
171.08109	4.7
171.11700	29.5
172.74651	1.0
172.84795	1.2
173.06012	12.7
173.09627	8.1
173.13257	2.2
175.07558	2.6
175.11185	1.3
177.09158	3.0
178.07704	1.1
179.08620	2.0
180.09343	2.9
181.10156	4.5
183.08112	2.6
183.11710	28.2
184.08850	1.5
185.09665	7.3
185.13263	21.6
187.07564	2.7
187.11197	3.8
189.05502	3.9
189.09123	6.4
191.07077	4.4
192.09425	2.5
193.10118	2.4
194.10930	1.5
195.08104	1.9
195.11746	5.6
196.12534	1.5
197.09616	4.4
197.13219	5.8
198.10445	2.4
199.07652	1.1
199.11232	10.5
201.09128	2.2
201.12794	2.6
203.10718	1.5
204.09421	1.3
205.10333	1.5
205.12279	3.0
206.10896	3.6
207.11755	4.9
208.12534	1.8
209.09656	2.3
209.13272	3.2
211.11259	6.3
213.09126	1.9
213.12755	19.1
215.10657	2.4
217.10228	1.6
218.10995	1.2
219.11754	2.0
220.12483	2.7
221.09662	2.0
221.13344	5.6
222.14061	1.2
223.11241	3.9
223.14888	1.8
225.12677	1.5
227.10667	2.9
229.12259	2.4
230.10979	2.3
231.11691	3.4
231.13858	2.5
232.12419	2.6
233.09784	1.3
233.13283	4.0
234.10400	1.5
234.14043	1.9
235.11182	2.3
235.14851	2.3
237.09293	1.4
237.12735	2.6
237.16438	1.6
239.10716	1.9
241.10036	1.4
241.12245	3.6
243.11810	1.7
243.13890	5.2
244.12509	2.9
245.13248	3.4
245.15384	14.3
246.10316	1.5
247.11240	1.5
247.14865	3.2
248.12035	1.4
249.12773	1.3
249.16420	1.3
251.14226	1.5
251.18318	1.1
253.10115	1.4
255.13850	4.5
256.12405	1.9
257.13248	4.2
258.14108	2.2
259.11139	2.1
259.14899	3.3
260.15335	1.3
261.12854	1.4
261.16428	3.1
263.14267	2.0
263.17941	2.0
265.16101	1.4
271.10974	1.9
271.13568	1.2
271.14951	1.1
273.12402	2.0
273.14835	8.6
274.13367	1.7
275.14420	2.5
275.17316	1.1
277.12659	1.4
277.15909	2.5
279.17557	1.2
281.13306	3.1
283.14761	1.7
284.11993	1.6
285.12692	3.1
285.16199	1.6
286.13593	1.7
286.17114	1.7
287.14294	3.4
287.17935	2.4
289.15967	2.0
291.10156	1.5
291.13794	2.3
291.17349	1.6
297.16446	1.6
299.14337	4.0
300.15018	1.8
301.12421	1.4
301.15863	2.9
302.16714	1.4
303.13968	1.8
303.17413	2.0
305.15643	1.5
307.16812	2.3
309.12692	1.2
310.13538	1.2
313.12378	1.7
313.15900	3.3
314.16440	1.5
315.14114	1.6
315.17468	7.1
317.15466	3.1
319.16782	2.6
324.15143	1.6
325.15955	2.8
327.13895	1.6
327.17386	4.5
328.14688	1.1
329.15305	2.8
329.19073	4.4
331.16995	10.1
333.18460	3.9
339.17407	3.9
341.15259	1.8
343.17114	9.8
345.14810	2.5
345.18668	1.9
347.16367	1.2
347.20099	1.7
351.19400	1.8
355.17056	1.5
357.18481	14.1
361.17978	6.7
373.17859	4.2
375.19604	6.9
377.17676	1.3
379.19165	1.5
385.18011	13.0
387.19519	2.4
389.21237	2.8
399.19427	3.6
403.19128	11.4
405.20654	5.3
407.17981	1.8
407.22711	2.2
411.21634	1.3
417.20700	18.2
421.20102	2.4
435.21872	14.4
453.22595	3.7
463.21289	2.2
477.22836	6.1
495.23965	2.2
537.24390	2.4
549.07758	1.1
645.26672	1.3
659.28113	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.4
51.69310	1.0
53.03939	2.7
53.97929	0.9
55.01868	3.2
55.05505	3.6
66.51044	1.1
67.05507	5.6
69.03432	2.1
69.07065	1.3
69.20419	11.9
72.06763	1.2
72.08167	9.6
74.09726	1.5
79.05492	6.0
81.03391	2.1
81.07063	4.7
83.04987	1.8
91.05476	11.4
93.07056	8.1
95.04992	7.8
95.08612	6.2
98.20721	2.4
101.02355	2.0
103.05476	30.7
105.03405	4.0
105.07036	11.3
107.04982	2.5
107.08588	5.2
109.06529	3.5
115.05462	2.2
117.07003	6.7
119.04942	1.4
119.08598	10.2
121.06516	2.7
121.10141	2.5
123.08079	12.5
128.06236	2.7
129.07024	4.3
130.07825	1.8
131.04938	57.1
131.08585	8.4
133.06502	4.7
133.10135	6.8
135.08049	12.6
135.45096	1.2
137.09639	1.8
141.06941	1.5
142.07841	3.1
143.08534	7.7
145.06499	4.1
145.10126	17.8
147.08060	9.1
147.11703	1.6
149.09613	2.7
155.08598	3.4
156.09351	2.8
157.06555	2.1
157.10127	9.7
158.07283	1.6
159.08066	6.0
159.11720	5.2
161.06111	2.8
161.09663	5.5
163.07549	14.7
163.11205	10.1
165.06993	1.7
165.09129	1.9
167.08600	2.6
169.10138	7.5
170.10889	2.0
171.08032	3.6
171.11688	11.3
172.08820	3.6
172.12373	1.3
173.09653	16.0
173.13268	1.2
175.07509	3.2
175.11192	3.8
177.09186	1.4
178.07697	1.5
179.08537	2.3
181.10139	4.1
182.10846	1.5
183.08127	2.5
183.11691	9.3
184.12422	1.9
185.09653	5.1
185.13287	4.7
186.06831	1.5
187.07607	1.5
187.11163	6.4
193.10135	4.5
194.11026	1.6
195.11703	5.4
196.12529	2.4
197.09644	3.5
197.13313	4.1
198.10425	2.0
199.07671	1.7
199.11205	10.8
200.11966	7.6
201.09163	6.3
201.12753	1.8
204.09471	1.4
205.10254	2.4
205.12267	4.7
206.10930	3.8
207.11815	5.4
207.13503	1.2
208.12523	1.2
209.09583	3.5
209.13246	3.2
210.10493	2.7
211.11206	4.9
213.12698	9.7
214.13452	3.1
215.10672	3.1
217.08524	2.0
218.10976	2.0
219.11765	5.6
220.12497	3.2
221.13272	8.4
222.10512	1.9
222.13991	2.0
222.27438	1.6
223.11287	5.6
223.14839	2.6
224.12024	1.7
225.12770	2.0
225.16281	1.5
227.10756	4.0
229.12196	1.5
230.10785	1.9
231.11713	3.2
232.12497	4.1
233.13284	5.0
234.14029	4.8
235.11206	4.5
235.14786	7.3
236.11887	1.5
236.15512	2.1
237.12758	3.8
237.16273	1.8
239.14273	2.8
241.12267	3.4
242.13013	2.7
243.11760	1.7
244.12517	2.9
245.13264	4.2
245.15492	1.5
246.10468	1.4
246.14035	2.4
247.11246	3.0
247.14850	5.6
248.15588	2.4
249.12746	3.9
249.16415	8.1
250.13962	1.5
251.10654	1.7
251.14304	2.5
253.12347	2.9
253.15970	1.6
256.14621	2.3
257.13297	2.9
258.14203	3.2
259.11154	1.7
259.14911	4.1
260.15610	3.6
261.12808	5.4
261.16415	3.5
262.13531	3.6
263.09171	3.5
263.14273	3.3
263.18002	2.8
264.15265	2.1
265.12216	2.4
265.15784	2.5
267.13638	1.9
267.17548	1.9
270.13760	1.5
271.11136	1.6
271.14883	2.2
273.12457	1.6
273.14835	3.2
273.16882	1.6
274.13602	1.5
275.14511	5.6
275.17511	1.3
276.15094	3.1
277.15897	11.9
280.14563	1.4
281.15231	2.5
285.12579	1.4
285.16187	1.7
287.14441	1.4
289.15820	2.9
291.17487	6.4
293.15500	2.4
295.16989	11.3
298.13605	1.7
299.14276	1.8
301.15866	3.9
303.13821	1.5
303.17352	2.0
307.16882	2.6
309.18521	9.7
315.17310	1.4
317.15436	2.3
319.16812	7.4
331.17014	4.5
333.18469	2.1
335.16339	2.3
337.17969	15.5
345.18390	2.6
347.16541	1.5
349.18198	2.1
351.19626	3.4
353.13681	2.7
355.16687	1.4
357.18750	1.5
359.16376	4.1
361.17938	1.6
363.19821	2.4
365.17456	4.0
367.15048	1.7
367.19034	5.0
369.20645	2.8
373.18054	4.0
377.17517	14.6
379.19055	2.3
381.20593	2.8
391.19046	14.6
395.18542	21.7
401.17459	4.4
407.18103	6.5
409.20190	22.6
419.18570	13.9
433.20245	4.0
437.14102	2.2
437.19669	26.0
439.21161	2.1
451.21057	11.4
469.22269	100.0
487.23380	2.8
529.16577	1.8
529.24377	29.1
617.30133	1.7
677.30896	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	677.2956
Annotation	Henriol D
Peak:m/z	Relative Intensity
50.87532	1.3
51.02366	1.6
53.03937	5.1
55.01854	1.7
55.05504	2.6
60.35505	1.1
67.05492	3.3
69.03424	2.4
69.07058	1.7
69.72608	7.3
77.03922	1.5
79.05496	4.6
81.03393	1.8
81.07047	3.7
83.04985	4.5
91.05486	10.9
93.07075	6.9
95.05003	7.4
95.08588	2.6
97.06519	1.4
98.20753	2.5
103.05473	56.4
104.05820	1.7
105.03407	21.1
105.07021	11.8
106.03710	1.7
107.04967	1.8
107.08591	5.1
109.06508	3.6
111.08104	2.4
115.05470	4.8
117.07007	6.6
119.04952	2.0
119.08585	16.5
121.06483	2.5
121.10163	1.5
125.02380	1.6
128.06219	4.4
129.06972	5.5
131.04936	100.0
131.08594	9.2
132.05315	1.3
133.06494	5.5
133.10132	12.0
135.08044	3.2
141.06967	2.8
142.07732	4.1
143.08551	9.0
145.06477	6.1
145.10138	8.2
147.08054	8.4
149.09625	6.7
151.07611	1.4
155.08542	5.3
156.09326	6.3
157.10139	17.5
158.10764	1.4
159.08017	4.7
159.11732	8.5
161.05998	9.5
161.09618	5.1
161.57603	1.3
163.07539	4.6
165.06960	2.1
165.09117	1.6
167.08534	2.8
168.09209	1.7
169.10146	10.0
170.10918	7.1
171.08134	6.2
171.11726	26.2
172.08778	2.2
173.06007	2.7
173.09619	5.4
173.13260	4.7
175.07539	5.9
177.05507	2.3
177.09111	5.4
178.07822	1.5
179.07068	2.9
179.08496	3.1
179.10675	1.7
180.09496	1.5
181.10126	3.7
183.08060	2.3
183.11711	24.3
184.12215	1.4
185.09689	6.5
185.13258	23.5
187.03828	1.4
187.07573	2.1
187.11139	3.3
189.05455	2.1
193.08589	2.7
193.10112	3.9
193.12067	1.3
195.11719	5.0
197.09564	4.1
197.13225	4.3
198.10373	1.9
199.07510	1.7
199.11198	7.5
200.11823	1.4
201.09099	2.4
201.12697	4.6
205.10176	2.8
207.06461	1.4
207.11703	5.5
209.09653	2.2
209.13176	3.1
211.11206	5.0
213.09276	2.8
213.12738	23.0
214.13046	1.8
215.08604	1.4
215.10617	2.1
216.09227	1.5
218.11061	1.7
219.11754	3.0
221.13211	4.6
223.11095	1.4
223.14815	2.7
225.12817	1.6
229.12218	2.4
230.10835	2.2
231.11801	2.6
231.13818	5.7
232.12364	2.3
233.13268	3.0
235.11296	1.6
235.14761	2.2
241.12256	3.5
242.10944	1.7
243.11835	2.7
243.13794	3.6
244.12456	2.0
245.13307	2.1
245.15361	8.8
247.11032	2.2
247.14909	1.9
255.13759	3.5
256.12231	1.9
257.13226	3.2
258.14001	3.0
259.15033	2.1
260.15527	1.6
261.12561	2.0
269.13205	2.4
270.14029	1.9
271.11072	1.8
271.14764	2.4
272.15302	1.9
273.12418	1.6
273.14899	9.5
283.14578	1.9
284.15442	2.3
285.12784	2.1
285.16364	4.3
287.14301	2.7
287.17795	2.5
288.14996	1.9
297.12787	3.7
299.14120	1.5
300.15063	1.7
301.15662	2.4
302.13242	1.6
302.16672	1.5
303.13745	1.7
303.17346	1.8
305.15161	2.0
312.14792	1.8
313.12360	2.1
313.15723	2.9
315.13791	2.0
315.17444	2.8
316.14716	2.1
319.16855	1.5
327.17380	2.8
329.15247	4.3
330.16061	1.5
331.16794	5.2
333.17944	2.1
341.15219	4.1
343.16858	3.5
345.18396	6.6
347.16309	4.3
347.20102	1.8
349.17856	6.0
355.16837	5.0
359.16269	10.2
361.17941	3.4
363.19461	4.8
371.16498	2.0
373.17972	14.1
375.19556	2.3
377.17413	4.8
383.16470	2.7
389.16977	3.1
391.19067	9.4
401.17487	13.4
405.20554	6.0
406.20941	1.7
407.22406	2.0
409.20245	1.8
415.18976	3.1
419.18500	12.1
421.20261	5.6
423.21457	4.7
433.20209	12.0
435.21088	2.3
437.19504	4.9
439.21255	1.8
451.21130	17.4
469.22162	3.8
497.21747	1.7
677.29071	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	677.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	3.8
53.03949	9.4
55.01860	4.2
55.05516	13.8
67.05499	6.2
69.03427	3.7
69.07067	2.7
69.95907	1.3
70.06588	1.5
70.83260	3.3
70.83604	1.5
77.03915	3.4
79.05499	9.1
81.03427	3.2
81.07059	8.0
83.01334	2.6
83.04975	16.8
84.05301	1.8
89.27261	1.2
91.05482	15.3
93.07045	9.6
95.04985	14.4
95.08586	4.0
103.05473	4.4
105.03397	100.0
105.04511	4.8
105.07034	21.9
107.04952	4.1
107.08607	10.2
109.06496	4.9
109.10116	1.9
115.05435	7.6
117.06277	2.1
117.07024	13.9
119.08564	16.0
120.34835	1.5
121.06526	3.2
121.10098	3.8
122.40759	1.4
125.85984	1.8
128.06207	5.6
129.07022	8.4
131.04944	7.2
131.08580	8.9
133.06477	12.5
133.10141	13.8
135.08081	7.7
137.05997	1.7
141.07042	2.4
142.07753	5.2
143.08568	14.8
145.06490	14.9
145.10147	11.7
147.05528	1.6
147.08041	14.0
147.11673	2.3
149.09598	6.7
152.06190	1.7
153.06949	2.7
155.08554	6.7
156.09349	11.5
157.06503	2.5
157.10138	19.6
158.10443	1.9
159.08032	8.0
159.11655	5.0
161.06003	17.3
161.09618	7.7
163.07571	10.4
163.11130	4.2
165.07047	4.6
165.09125	3.2
166.07700	2.4
167.08589	4.1
168.09384	3.3
169.10150	12.1
170.10938	12.8
171.08075	7.6
171.11693	38.4
172.12224	2.2
173.04701	2.1
173.06015	13.2
173.09618	10.0
173.13206	4.4
175.07552	4.9
175.11212	2.1
177.09106	6.6
179.08582	2.5
180.09329	2.6
181.10179	7.3
182.10934	2.6
183.08051	5.5
183.11697	36.0
184.08865	3.4
184.12228	3.2
185.06059	1.6
185.09657	9.3
185.13249	28.3
186.13594	2.1
187.07529	3.4
187.11180	6.3
189.05499	3.7
189.09094	5.0
191.07103	4.4
193.10294	3.3
194.10922	3.3
195.08151	2.2
195.11665	9.9
197.09612	6.2
197.13336	9.0
198.10303	3.2
199.11186	18.1
201.09113	3.2
201.12767	4.2
203.08675	1.9
203.10638	2.3
205.10210	2.0
205.12094	2.2
206.10847	5.4
207.11681	6.5
208.12407	4.0
209.09596	5.5
209.13210	4.6
211.11186	7.1
213.09288	3.9
213.12733	23.0
214.13039	2.2
215.10600	3.0
216.09390	2.0
217.10219	3.2
217.12224	3.0
219.11752	3.3
220.12419	3.9
221.09679	2.3
221.13213	9.8
222.14099	3.2
223.11153	5.8
223.14822	3.8
225.09233	1.7
225.12711	3.4
227.10675	2.4
229.10158	3.8
229.12314	4.1
230.10806	3.5
231.11678	5.7
231.13885	3.8
232.08809	1.7
232.12363	3.1
233.13225	4.7
234.10481	2.3
234.13928	3.3
235.11273	3.5
235.14882	4.8
237.12766	3.6
237.16362	5.2
239.10614	2.3
241.12175	4.8
242.10631	2.1
243.11636	5.3
243.13823	4.3
244.12480	4.4
245.09724	1.6
245.13193	4.8
245.15401	13.9
246.10312	1.9
246.13945	3.1
247.11221	3.7
247.14780	5.2
249.12631	4.1
249.16393	3.6
251.10524	1.9
251.14272	4.2
251.18005	1.8
255.13916	2.8
256.12390	2.4
257.13144	4.5
258.13904	3.8
259.15042	3.3
260.11752	3.5
260.15662	2.2
261.12717	5.3
261.16611	2.8
263.14249	3.3
268.12277	2.0
269.13235	2.1
270.14090	2.7
271.11044	1.8
271.14737	4.6
272.12186	2.4
272.15588	2.6
273.12289	2.9
273.14627	7.2
275.14270	4.1
275.17532	1.6
277.12186	2.0
277.15930	3.0
279.14114	2.6
279.17386	2.4
283.14832	3.2
285.12701	3.8
285.16382	2.5
286.13562	2.2
287.14191	5.6
287.17627	3.0
288.14835	2.2
289.15891	2.1
291.17230	3.0
299.14340	5.2
300.15186	2.7
301.12448	2.6
301.15842	6.2
302.16614	1.7
303.13724	2.9
303.17337	2.1
307.16913	3.7
309.18524	1.9
313.12039	4.3
313.15744	3.1
314.16556	2.0
315.13977	2.3
315.17242	7.8
317.15207	3.1
319.16806	3.5
321.18570	2.3
325.15671	4.3
327.13739	1.9
327.17377	4.0
328.14389	2.3
329.15390	2.8
329.19006	3.5
331.17068	10.9
333.18420	5.4
339.17337	2.4
342.16165	2.1
343.17014	12.8
344.17255	2.6
345.14673	2.6
345.18594	2.6
347.16309	2.6
347.20099	2.7
355.16986	1.9
357.18396	14.3
359.16290	2.7
361.17871	7.1
369.20667	1.9
370.20822	3.7
371.16537	2.2
373.13892	1.8
373.17920	5.9
375.19617	8.3
376.19760	1.7
379.18872	4.2
385.17883	9.0
387.19675	2.6
389.21249	3.1
391.18994	2.1
395.18536	1.9
399.19370	3.6
403.19037	13.1
404.19458	4.2
405.20526	5.9
407.18518	5.6
417.20712	19.1
419.18210	3.9
421.20065	6.9
422.20535	3.2
425.19495	4.4
435.21860	14.5
439.20874	2.7
453.22678	3.6
455.20633	2.2
457.21924	2.1
461.29062	2.4
462.29333	6.3
463.21051	2.1
477.22458	4.4
480.30313	2.4
495.23840	3.2
537.23987	2.8
542.24664	2.0
574.53473	1.7
624.28674	3.2
659.28900	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	676.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34429	11.7
53.85504	10.4
60.15063	13.6
67.05508	63.8
71.56084	13.9
79.05485	47.3
81.07058	63.0
83.08608	22.2
91.05479	33.3
93.07041	53.0
95.08615	38.2
105.07021	34.3
107.08601	16.3
109.10135	15.2
113.51270	13.3
119.08597	16.8
121.10135	36.7
131.08595	19.2
133.10112	25.8
135.11707	30.7
145.10156	12.1
147.11647	15.4
149.09619	14.3
151.59587	13.4
166.28632	12.6
259.20584	22.1
261.67816	11.7
277.21768	21.9
332.45529	12.2
349.66614	13.4
351.25290	100.0
460.22656	16.8
461.22617	34.2
528.37854	13.0
532.31854	13.9
546.25781	22.2
606.27820	39.8
617.31854	16.4
626.34937	21.8
627.46716	32.6
676.33124	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	676.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01860	3.2
55.05272	1.5
55.05516	20.6
57.03442	10.4
57.07071	2.9
59.05000	1.3
65.03935	5.2
66.55301	1.2
66.64281	1.2
67.05510	87.0
69.03434	1.7
69.07069	23.3
71.05016	7.2
71.19298	1.7
77.03922	1.6
79.05499	68.2
80.08009	1.3
81.03436	1.6
81.07063	78.1
82.67356	1.1
83.04979	3.9
83.08643	10.4
84.07610	1.2
85.06534	3.4
91.05488	76.0
93.07054	69.2
95.04974	6.4
95.08614	55.8
95.63395	1.2
97.06545	6.4
97.10168	3.0
105.04531	3.1
105.07036	39.3
107.04966	1.6
107.08598	32.8
109.06542	3.8
109.09595	1.3
109.10188	17.8
111.08079	3.5
111.11772	1.2
115.05478	2.9
117.07031	47.1
119.08582	31.0
121.06480	1.5
121.10157	29.6
123.08091	3.9
123.11754	6.3
125.09616	2.9
129.07019	9.2
130.07823	1.7
131.08578	37.6
133.10139	25.7
135.08018	1.6
135.11700	14.8
137.09631	2.2
141.06999	5.4
142.07771	2.4
143.08559	8.5
145.10126	26.8
147.11703	11.7
149.09583	2.3
149.13248	6.0
155.08583	3.4
157.10143	8.6
159.11710	18.4
161.13303	6.1
163.11172	2.8
163.14801	1.6
169.10135	2.7
171.11734	8.4
173.13258	8.2
175.14865	2.9
177.12779	2.8
183.11736	3.0
185.13271	3.7
187.14851	3.0
213.16400	3.1
237.48184	1.4
239.18011	10.5
241.19698	1.8
243.21136	2.0
255.17397	1.9
256.76178	1.3
257.19016	23.3
259.20477	4.0
261.22238	6.9
275.20096	20.9
313.21530	1.8
331.22702	19.8
333.24197	4.4
335.25827	100.0
339.48386	1.4
349.23697	8.4
381.26328	11.6
583.43652	40.3
591.43842	5.0
596.02643	1.5
609.45258	20.6
641.47845	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
53.94676	2.2
55.01879	4.6
55.05515	25.2
57.03432	10.1
57.07066	4.2
65.03941	5.2
67.05509	78.5
69.07076	19.7
69.62080	2.2
71.04990	3.5
71.55667	3.3
79.05498	68.9
81.03409	6.5
81.06584	4.6
81.07063	82.2
83.04979	9.0
83.08628	12.8
85.06537	2.7
85.79951	2.2
86.09713	3.4
91.05488	100.0
93.06472	4.3
93.07052	68.3
95.04967	9.5
95.08606	46.8
97.06519	8.8
97.10162	5.9
105.04551	3.2
105.07035	64.6
107.04948	7.7
107.08602	33.3
109.06519	7.5
109.10163	14.5
111.08067	3.3
115.05464	2.7
117.07021	31.0
119.08591	44.8
121.10152	36.3
123.08115	4.7
123.11725	2.9
125.00018	2.9
125.09651	5.6
129.07025	14.6
130.07835	2.1
131.08574	51.9
133.10124	38.1
135.08070	6.1
135.11685	13.9
136.06187	35.4
137.09596	3.4
141.06975	3.7
141.75630	2.1
143.08548	6.7
145.10133	29.3
146.08061	2.5
147.08020	4.3
147.11713	15.2
149.09567	5.6
149.13283	3.3
149.27182	2.1
155.08665	3.8
157.10092	14.4
159.11693	12.5
161.09653	3.8
161.13269	7.2
163.11177	4.0
169.10126	3.7
171.11740	11.8
173.13310	3.8
175.11220	2.4
177.12816	4.0
179.14204	2.4
183.11653	2.4
184.07352	11.6
185.13211	3.4
191.14262	2.9
193.12201	2.8
197.13240	4.2
211.14844	3.9
217.86705	2.2
239.18076	3.5
257.19162	12.7
269.17316	4.5
273.18591	4.9
275.20071	29.2
323.22220	8.0
331.22748	7.6
333.24368	2.6
349.19794	4.4
349.23792	58.9
351.25342	9.0
365.23450	5.3
367.24844	30.2
504.37686	3.9
543.37140	11.8
597.41516	59.4
605.41608	5.6
623.43359	24.5
641.44177	37.4
658.45343	2.9
676.45612	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	676.369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
56.05004	0.4
57.49160	0.4
61.79761	0.3
65.03938	0.4
67.04242	0.9
67.05508	0.7
69.03431	1.9
69.07082	0.4
69.15969	0.4
70.98396	0.3
72.08150	0.9
79.05491	0.9
81.07071	1.1
82.06589	22.8
83.04986	1.1
87.04475	0.6
91.05492	1.2
93.07037	1.2
95.04974	0.4
95.08614	1.1
95.70216	0.4
99.04459	1.9
100.07626	100.0
105.07046	1.2
107.08598	1.4
117.07029	0.7
119.08601	2.2
120.86823	0.4
121.10152	1.0
127.03955	1.1
128.06206	0.5
129.06970	0.7
131.08600	1.5
133.10136	1.3
142.08679	0.8
143.01758	0.4
143.08543	1.4
144.09421	0.5
145.10136	2.3
147.11702	1.2
155.08595	1.4
156.09367	0.7
157.10139	1.7
158.08156	0.5
159.11765	1.3
160.09709	37.0
160.42331	0.4
161.09683	0.5
168.85962	0.4
171.11707	2.0
173.13187	0.6
179.08601	0.9
181.10173	1.8
183.11702	2.9
185.13190	1.0
193.10217	0.6
195.11786	1.7
197.13300	1.5
205.10048	0.5
207.11813	1.4
208.12390	0.5
209.13255	1.8
211.14902	0.7
213.12988	0.5
219.11783	0.6
220.68185	0.4
221.13297	1.6
223.14827	1.4
232.12424	0.6
233.13313	0.7
235.14861	1.4
239.14682	0.5
247.14838	1.0
250.95322	0.4
261.16235	0.6
263.17981	0.6
264.30173	0.5
265.16016	0.5
283.17014	0.6
289.16205	0.4
300.17969	0.5
323.20172	0.4
325.21741	0.6
327.61536	0.4
337.18048	0.6
355.19217	0.5
517.97552	0.4
629.32007	0.4
676.36932	64.7
677.37164	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71866	0.3
55.05500	1.0
56.05027	0.4
57.77537	0.2
58.06591	0.6
65.03947	0.4
67.04233	1.1
67.05502	1.4
69.03433	2.5
69.07063	0.7
69.88850	1.6
71.04962	0.3
72.04507	0.8
72.08160	0.9
79.05485	1.0
80.09428	0.3
81.07041	0.4
82.06584	23.2
83.04980	1.3
85.06557	0.5
86.06067	1.2
87.04474	0.6
88.42369	0.3
91.05485	1.4
93.07044	1.0
94.06577	0.3
95.04966	0.7
95.08601	1.1
96.04514	0.3
96.08110	0.4
98.06033	0.5
99.04448	1.0
100.07623	100.0
101.07940	0.4
104.07145	2.0
105.07043	2.3
107.05048	0.3
107.08600	1.3
109.06481	0.4
109.10162	0.6
109.29247	0.3
111.04427	0.3
113.05976	0.5
114.05476	0.3
117.07014	0.8
119.08580	3.0
121.10115	0.6
127.03908	0.5
128.06218	0.5
129.05435	0.3
129.07042	0.9
131.08588	1.3
133.10164	2.1
135.08049	0.4
135.11716	0.5
142.04996	1.7
142.07791	0.5
142.08679	0.9
143.08589	1.7
145.10150	1.3
147.11691	0.9
153.06975	0.4
153.92145	0.3
155.08569	1.2
156.09361	0.5
157.10127	2.2
158.08148	0.9
159.11710	1.4
160.06165	1.6
160.09702	79.0
161.05853	0.3
161.09814	0.7
167.08601	0.8
168.09291	0.7
171.11740	2.3
173.09590	0.8
173.13208	0.5
175.11267	0.4
179.08624	0.7
181.10123	1.5
183.11682	2.9
185.13261	1.3
191.10548	0.3
193.10165	0.8
194.10889	0.6
195.11719	1.7
196.12437	0.4
197.13266	2.0
199.11305	0.3
199.14923	0.8
206.10780	0.3
207.11754	0.8
208.12466	0.4
209.13315	2.4
211.11183	0.4
211.14949	0.7
213.12773	0.4
219.11778	0.7
220.12334	0.4
221.13264	1.7
222.14166	0.4
223.14827	1.9
225.12907	0.3
225.16420	0.5
233.13342	0.6
235.14795	0.8
237.16478	0.9
247.14983	0.7
249.16470	0.7
251.18092	0.3
261.16415	0.6
263.14316	0.4
263.18039	0.4
265.16135	0.3
265.19427	0.4
273.16306	0.3
291.17203	0.3
325.18057	0.4
325.21558	0.4
337.18088	0.4
342.72797	0.3
355.19119	0.6
616.34937	0.5
650.41632	0.3
676.36926	74.7
677.37390	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	676.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01868	2.6
55.05509	4.0
57.03428	4.6
61.02926	8.6
65.03945	1.1
67.05500	5.0
69.03418	2.9
69.07050	1.5
69.35754	5.8
70.06589	0.8
71.01367	0.9
71.04974	1.3
73.02904	3.5
79.05494	8.3
81.03422	85.2
81.07069	6.6
83.04987	4.1
83.08622	22.2
85.02904	10.2
86.06054	1.9
91.03467	0.8
91.03963	7.0
91.05492	10.0
91.95554	0.8
93.07042	5.5
95.04973	27.9
95.08603	1.9
97.02894	7.6
97.06518	1.1
97.10162	1.7
97.70780	0.7
99.04479	1.0
100.07601	1.2
105.07027	6.8
107.04961	6.7
107.08594	3.6
109.02901	1.9
109.06510	2.3
109.10168	1.7
111.04449	2.7
111.08084	12.3
115.05448	0.9
117.07032	1.2
119.04973	1.3
119.08577	8.3
121.06503	2.1
121.10150	6.2
123.04417	3.9
123.08125	1.5
125.09545	0.9
127.03887	2.4
129.07002	7.6
131.08566	5.7
133.06494	3.1
133.10136	4.7
137.02341	0.9
137.05994	1.1
142.07773	1.6
145.04939	2.7
145.10121	1.7
147.04379	1.4
147.08034	2.1
147.11679	7.1
149.09648	4.7
157.10114	11.0
163.06049	4.6
163.07387	0.7
163.11192	1.9
165.12813	2.2
169.15349	0.8
175.11180	13.2
189.05470	1.4
193.12250	63.1
211.13281	6.5
214.83455	0.8
232.29085	0.7
235.13179	4.3
244.15472	1.7
249.14825	1.0
259.13239	2.3
267.15924	41.7
271.40799	0.9
273.14899	1.8
285.16974	100.0
286.17261	1.1
296.18359	0.9
301.14420	2.3
309.16977	17.3
314.19559	0.9
327.18048	2.5
351.18091	3.4
357.02844	0.8
363.18030	6.0
373.13962	2.4
375.18170	4.6
393.19110	3.4
411.20129	3.5
429.21252	11.0
591.26221	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
54.11794	0.1
54.71257	0.1
55.05515	1.1
56.05036	0.2
57.07070	0.2
58.06587	0.5
62.71987	0.1
65.03937	0.2
66.87614	0.1
67.04254	0.9
67.05512	0.9
69.03435	2.7
69.07063	0.5
70.06567	0.2
71.01370	0.3
71.05006	0.4
71.56084	0.1
71.56456	0.2
72.04516	1.3
72.08154	0.5
74.06071	0.3
79.05511	0.9
80.05009	0.3
81.03410	0.4
81.07076	1.2
82.06583	22.6
83.04977	1.5
84.04506	0.2
85.02917	0.2
85.06532	0.5
86.06073	1.6
87.04469	0.5
91.05473	1.7
93.07059	1.1
94.06579	0.3
95.04971	0.5
95.08611	1.4
96.08141	0.2
97.02899	0.2
97.06544	0.5
98.06073	0.3
99.04453	1.1
100.07623	100.0
101.07883	0.2
103.05471	0.2
104.07113	2.5
105.03413	0.2
105.07043	2.2
107.04963	0.3
107.08596	1.2
107.26218	0.2
109.06524	0.5
109.10175	0.3
111.04443	0.5
111.08086	0.2
113.06016	0.4
114.05528	0.3
115.05460	0.3
116.07085	0.3
117.07006	0.8
119.08587	2.6
120.08099	0.2
121.05671	0.2
121.06502	0.4
121.10170	0.9
123.05586	0.2
123.08070	0.2
123.11742	0.2
127.03913	0.6
127.07597	0.3
128.06198	0.4
129.05518	0.3
129.06979	0.8
130.07748	0.2
131.08562	1.6
132.06607	0.3
133.06483	0.3
133.10136	2.0
135.08066	0.5
135.11717	0.3
137.05998	0.2
139.07503	0.2
141.07030	0.3
142.05000	1.6
142.07751	0.5
142.08725	0.8
143.08572	1.7
144.06593	0.2
144.09317	0.2
145.06514	0.3
145.10129	1.7
147.08116	0.2
147.11723	0.9
149.09590	0.4
153.06920	0.2
153.09056	0.2
155.08542	1.5
156.09341	0.6
157.10136	3.1
158.08133	0.7
158.10716	0.2
159.08064	0.4
159.11702	1.5
160.06137	2.4
160.09695	80.7
160.28436	0.2
161.06009	0.4
161.09758	0.6
161.13303	0.3
163.07587	0.2
165.06970	0.4
167.07176	0.2
167.08487	0.7
168.09354	0.5
170.10919	0.2
171.08055	0.3
171.11682	2.1
172.12257	0.2
173.09662	0.5
173.13269	0.6
175.07625	0.3
177.09109	0.2
178.07939	0.2
179.08421	0.8
180.09312	0.2
181.10103	1.4
182.10901	0.5
183.08127	0.2
183.11720	3.2
183.13234	0.3
184.12427	0.3
185.09618	0.4
185.13246	1.3
187.07529	0.2
187.11191	0.4
187.14952	0.3
189.09062	0.2
193.10139	1.0
193.11841	0.1
194.10919	0.4
195.11699	2.1
196.12492	0.3
197.09531	0.4
197.13269	1.8
199.11208	0.5
199.14857	0.6
201.12723	0.3
205.10254	0.3
206.10869	0.3
207.11682	1.4
208.12447	0.3
209.09756	0.2
209.13289	1.8
210.14102	0.2
211.11269	0.5
211.14891	0.7
213.12735	0.5
213.16463	0.2
215.08929	0.2
215.10733	0.3
217.10349	0.2
217.12260	0.2
218.10976	0.3
219.11775	0.4
220.12450	0.5
221.13310	1.5
222.13927	0.3
223.11264	0.3
223.14833	1.7
225.12814	0.4
225.16455	0.5
227.14301	0.2
229.12263	0.3
229.19981	0.2
231.11766	0.4
231.13812	0.3
232.12456	0.4
233.13278	0.5
235.14815	0.8
237.12776	0.2
237.16451	0.7
239.18047	0.3
241.12387	0.3
241.15828	0.3
244.12357	0.2
247.14787	0.8
248.15556	0.2
249.12711	0.2
249.16399	0.7
255.13866	0.4
261.16672	0.2
263.14322	0.3
263.18060	0.3
265.16116	0.2
265.19406	0.3
269.15604	0.2
273.16458	0.3
279.17468	0.2
283.16980	0.3
289.15881	0.2
291.17184	0.3
309.18445	0.2
315.17340	0.2
319.16705	0.3
321.18558	0.3
325.18161	0.3
325.21774	0.4
333.18494	0.2
337.17911	0.3
339.19556	0.4
355.19162	0.5
357.20764	0.4
400.16315	0.2
616.34906	0.7
658.32098	0.6
676.36920	69.1
677.37158	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53534	6.2
53.03944	10.2
55.01857	18.7
55.05498	27.4
57.03421	6.7
66.93147	6.2
67.05485	17.3
69.03402	7.7
69.07064	14.5
69.44678	48.9
79.05479	26.2
81.03400	28.1
81.07040	29.1
83.04959	22.2
86.06084	7.5
91.05483	62.0
93.07022	27.4
95.05002	33.3
95.08591	15.7
98.06033	6.7
103.05460	17.5
105.03383	53.9
105.04467	7.5
105.07027	53.9
107.04989	13.4
107.08582	15.0
109.06498	8.4
115.05439	22.8
117.07012	37.6
119.08572	51.6
120.33189	6.3
121.06513	15.3
121.10143	12.2
128.06212	19.7
129.06996	29.0
131.04932	35.7
131.08588	46.5
132.05284	6.6
133.06483	17.8
133.09256	6.8
133.10104	39.9
135.08006	6.7
135.59334	6.1
142.07819	12.4
143.08601	34.1
145.06480	36.9
145.10184	30.1
147.08049	100.0
149.09616	12.7
155.08528	15.6
156.09273	17.7
157.10120	62.0
158.07288	8.8
159.08060	53.8
159.11688	18.0
161.05966	25.4
161.09618	46.0
162.06279	8.1
163.07555	59.2
163.11142	13.1
167.08553	7.5
168.06557	25.1
169.10118	23.6
170.10780	15.0
171.08047	26.4
171.11690	75.5
172.08551	7.2
172.12013	13.2
173.09618	37.8
175.07506	34.2
175.11223	7.6
177.09134	9.7
177.90961	6.5
179.08459	8.1
180.09268	5.8
181.10048	13.1
183.08009	15.1
183.11707	58.0
184.12061	17.2
185.09579	22.1
185.13260	43.0
187.11159	21.6
187.14941	7.6
189.09030	10.5
193.10121	8.4
195.11656	16.3
197.09631	19.5
197.13152	10.5
199.07562	7.7
199.11217	36.5
200.11656	10.4
201.09158	8.8
201.12779	13.5
205.12270	8.8
207.11636	16.6
211.11143	19.5
212.53593	6.8
213.09135	10.0
213.12738	75.2
214.13086	15.6
215.14240	8.1
220.86763	6.6
221.13297	10.0
224.11620	7.0
225.09036	16.8
229.12219	9.1
231.13870	10.3
235.14494	7.3
237.12607	10.6
239.10539	7.6
239.14427	10.0
241.12215	13.9
243.13805	15.3
245.15350	33.7
257.13388	6.4
259.13101	10.0
261.12750	7.8
262.14331	8.1
267.16034	9.9
269.13193	8.2
271.14923	7.7
272.11618	6.9
273.14822	36.5
285.12387	7.3
285.16071	9.0
287.14249	7.9
291.16882	6.8
299.14182	14.8
301.15842	8.1
311.13882	7.4
313.15710	11.3
315.13818	9.6
315.17242	14.5
317.18988	8.5
325.21567	7.2
327.17435	10.4
328.18005	7.1
329.15469	8.1
329.18976	7.3
341.18961	9.9
344.17267	8.5
345.18433	15.8
357.18475	12.0
359.19983	10.1
361.17914	10.2
362.18417	9.2
369.18399	14.8
386.18359	7.5
387.19492	20.5
389.21017	18.9
391.22617	8.9
401.21002	22.0
405.20590	9.2
419.22256	54.5
435.21448	15.3
436.21768	10.8
437.23056	10.0
461.28778	8.2
463.85562	6.7
476.27744	16.5
479.24075	28.8
479.30209	13.1
539.26483	30.9
567.26178	14.7
581.27551	43.4
584.22095	8.5
599.28143	48.0
676.26257	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	676.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34749	2.6
53.03941	4.6
55.01875	5.5
55.05517	64.4
57.03419	4.5
59.49439	3.1
66.44285	3.3
67.05493	11.9
69.03426	8.1
69.07069	7.9
79.05504	14.6
81.03419	7.2
81.07067	28.9
83.01330	3.2
83.04987	100.0
83.08639	4.2
85.02882	4.1
91.05484	25.5
93.07048	16.9
95.04958	11.2
95.08610	12.1
103.05433	3.9
105.03398	19.5
105.07032	34.0
107.04999	7.0
107.08614	16.9
109.06499	6.3
115.05439	8.3
117.07020	16.9
119.04984	4.9
119.08585	22.4
121.06484	6.0
121.10133	9.8
123.08103	5.3
123.11644	4.0
128.06206	6.2
129.07001	9.3
131.04953	5.3
131.08572	16.3
133.06499	17.5
133.10135	21.5
135.08061	10.4
135.94543	3.1
137.09656	4.4
141.06989	5.8
142.07793	6.9
143.08636	19.1
145.06488	18.6
145.10110	14.2
147.08086	16.7
147.11667	8.6
149.09677	6.3
155.08600	9.8
156.09320	10.0
157.10136	24.1
158.10593	3.2
159.08047	14.5
159.11679	7.0
161.05983	22.4
161.09650	17.3
163.07549	13.8
165.09125	5.7
167.08545	5.1
169.10144	17.1
170.10915	7.9
171.08078	6.7
171.11703	43.5
172.08868	3.6
172.12064	3.2
173.05988	17.2
173.09613	17.2
173.13324	4.6
175.07555	8.3
175.11156	5.0
177.09099	6.3
179.08592	5.8
181.10124	6.3
183.08090	7.6
183.11710	38.5
184.08778	3.1
184.12256	3.5
185.09590	12.7
185.13254	26.5
186.13724	2.9
187.07498	3.2
187.11201	10.8
189.05455	7.2
189.09137	7.4
191.07008	5.8
191.10663	4.3
193.10121	5.1
195.11632	8.0
197.09421	5.5
197.13263	7.3
199.11160	21.2
200.11816	4.1
201.09071	6.5
201.12695	5.1
202.44991	3.1
203.10692	4.3
206.10869	5.3
206.76282	3.1
207.11755	7.0
209.09607	4.8
209.13197	3.7
211.11200	7.9
213.09203	5.6
213.12793	27.3
215.10640	7.6
217.08571	3.6
217.12318	3.7
218.10931	3.4
221.13234	6.7
223.11174	6.4
223.14931	4.9
225.09102	5.6
227.07156	3.1
227.10728	6.5
229.12154	4.4
231.11778	5.8
231.13667	15.0
233.13338	7.1
234.13696	3.6
235.11234	3.7
235.14847	4.2
237.16577	3.8
241.12260	8.6
243.09962	4.8
243.13995	5.3
244.12415	4.5
245.13351	4.9
245.15457	5.8
246.14069	4.9
247.15050	6.1
248.15540	3.6
249.12694	4.5
251.10704	3.3
251.14204	4.6
256.12329	3.6
259.13336	10.3
261.12924	3.4
261.16281	4.1
263.14178	3.4
267.15793	3.7
271.14859	5.6
273.16589	5.5
275.14151	6.5
277.15854	3.8
285.12973	4.4
285.16309	5.3
287.14529	6.3
287.17599	3.7
289.15479	3.6
291.17493	5.6
301.15833	3.4
302.16617	4.5
307.16629	3.9
313.15805	6.5
315.14001	5.1
315.17480	10.4
319.16879	4.0
329.19016	4.2
331.16913	7.2
333.18369	4.9
342.15900	5.2
343.16949	13.0
345.14603	4.0
345.18484	3.8
357.18439	16.2
361.17978	9.7
369.20654	8.1
370.15512	3.5
373.17969	12.8
375.19644	20.2
377.17368	3.7
385.18057	19.2
391.18982	7.6
393.20749	4.2
403.19128	60.7
417.20074	4.5
421.20132	38.8
433.29547	6.2
435.21964	4.3
439.21268	6.2
443.28107	5.8
461.28989	56.9
463.21158	21.5
479.30518	14.4
481.22293	14.0
487.23288	5.2
499.23071	8.2
503.23587	4.2
523.23132	12.5
541.24188	22.3
563.27185	4.2
623.28436	37.8
641.28448	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	675.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.6
53.03945	6.6
54.06599	1.1
55.01871	9.0
55.05503	1.6
57.07069	5.9
62.40911	1.1
65.62930	1.0
67.05509	6.3
69.03419	2.3
69.07047	2.8
70.99438	2.7
71.04962	1.7
72.08140	3.2
73.07668	1.3
74.51489	1.1
77.03919	2.6
79.05499	8.7
81.03422	7.5
81.07047	3.8
83.04977	2.4
89.06032	1.7
91.05485	21.3
93.07052	7.7
95.04969	14.5
95.08588	3.6
97.06512	2.1
103.05451	4.6
105.03397	100.0
105.04523	4.4
105.07028	13.2
107.04958	6.8
107.08587	4.7
109.06536	2.4
109.10147	1.7
115.05464	6.8
116.06218	1.2
117.07016	12.8
119.04956	2.0
119.08580	17.2
121.06493	4.2
121.10135	2.8
123.08092	1.2
125.05989	1.6
128.06224	4.9
129.07021	13.0
130.07758	1.5
131.04924	6.6
131.08572	12.0
133.06531	5.8
133.10132	12.2
135.08049	3.9
137.05946	1.5
141.06973	4.4
142.07767	5.1
143.08578	13.5
144.09390	1.2
145.06499	12.8
145.10121	11.7
147.08052	37.2
149.05930	1.4
149.09656	2.5
153.05472	1.2
153.06921	2.5
154.07768	2.3
155.08517	6.7
156.09380	7.8
157.06531	2.8
157.10127	18.3
157.13034	1.1
158.07330	2.6
159.08067	20.6
159.11658	5.6
161.05952	9.0
161.09625	17.9
163.07530	5.6
165.06998	3.4
166.07748	1.8
167.08578	2.4
169.06445	1.4
169.10127	7.2
170.10863	4.4
171.08122	8.5
171.11699	27.9
173.06009	4.1
173.09627	12.9
173.13271	1.2
175.07538	12.8
175.11166	2.2
178.07915	1.5
179.07051	1.3
179.08536	3.1
180.09351	2.8
181.10112	5.1
182.07346	1.5
183.08055	3.3
183.11696	13.0
184.08852	2.2
185.09668	12.6
185.13261	16.7
187.07555	3.2
187.11165	4.6
189.09142	3.5
191.10759	1.7
193.10165	4.7
195.08069	1.8
195.11676	5.8
196.08859	1.3
197.05933	1.6
197.09604	7.0
197.13249	4.3
198.10400	1.9
199.07445	2.2
199.11192	15.2
200.11905	3.2
201.09142	5.5
201.12753	2.4
203.10654	1.8
205.10162	2.9
206.10988	1.6
207.08078	2.1
207.11710	3.0
208.08702	1.8
209.09586	3.4
209.13202	3.7
211.11230	4.3
213.09065	3.9
213.12729	14.1
215.10629	4.7
217.08672	4.1
217.12253	3.0
218.11009	1.5
220.12393	1.6
221.09552	3.2
221.13309	2.7
223.11134	4.4
223.14822	1.3
225.09023	9.1
225.12677	1.7
227.10672	3.0
227.20000	1.7
229.10168	2.9
229.12274	4.7
230.10959	1.7
231.11743	2.1
231.13779	20.9
232.12343	1.4
233.13295	2.1
235.11166	1.6
235.14780	1.6
237.08958	1.3
237.12769	2.8
239.10657	3.6
241.08607	2.6
241.12187	8.8
243.09839	1.9
243.11891	2.6
243.13882	2.2
244.12424	1.6
245.11687	3.7
247.14883	2.3
251.10695	4.2
251.14503	1.2
253.09998	1.2
254.10739	1.2
255.11647	1.5
257.08023	1.4
257.11670	2.2
258.14023	1.8
259.10938	2.2
259.13257	15.8
261.12793	2.6
261.16455	1.2
262.13596	1.7
263.14301	1.5
265.12183	1.7
269.13223	3.1
270.14029	1.5
271.11234	2.1
271.14783	1.8
272.11826	1.5
273.12625	2.0
274.13541	1.4
275.14453	2.6
277.12143	1.4
277.15765	1.8
279.10239	2.1
282.10440	1.6
283.14737	2.6
285.11203	1.5
285.12827	1.3
286.13492	2.6
287.14285	2.7
289.12152	1.6
289.15875	2.2
297.12747	2.6
299.14246	3.9
301.15842	3.4
303.13712	1.7
303.17282	1.9
311.14185	3.4
312.15079	1.6
313.15802	4.7
315.17401	3.5
317.15561	1.6
317.18930	3.0
327.13812	2.2
327.17389	6.7
328.18018	2.4
329.15405	5.5
329.18817	1.7
339.13873	1.4
340.14532	2.3
341.19025	3.9
343.13293	1.3
343.16891	1.3
345.14691	2.2
345.18549	4.1
347.16232	3.2
357.18533	3.0
359.19983	5.3
361.12808	1.3
369.18488	6.5
375.19708	5.9
377.21088	6.5
387.19592	29.2
397.20236	1.2
403.15329	1.9
405.20651	29.7
413.13922	1.3
423.21738	2.9
445.16638	1.5
447.21475	4.6
451.17590	1.5
463.17685	5.4
465.22787	9.8
481.18457	3.5
505.18536	1.5
511.19928	1.5
523.19379	6.3
541.20551	5.1
553.27893	3.6
565.23444	2.0
583.25714	1.6
587.26703	2.5
625.26410	1.3
657.30829	9.5
675.31543	11.6
676.32190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.8
53.03947	6.7
55.01870	7.1
55.05520	35.0
57.07077	5.4
60.08163	3.1
62.75698	2.6
65.03927	2.5
67.05499	8.6
69.03418	6.6
69.07084	4.8
71.55253	5.0
74.09721	6.2
79.05502	14.2
81.03423	7.4
81.07054	8.2
83.04990	48.3
91.05496	24.5
93.07076	11.9
95.04990	15.8
95.08600	8.3
103.05470	23.2
105.03403	26.9
105.07037	32.0
107.04958	6.8
107.08598	6.4
109.06517	7.5
111.04497	2.7
115.05464	12.4
117.07021	15.5
119.05005	2.9
119.08588	29.3
121.06508	9.9
121.10153	4.4
123.04497	3.2
123.08106	3.7
124.59129	2.0
128.06242	6.5
129.07028	11.5
131.04932	52.9
131.08592	19.7
133.06511	18.8
133.10146	31.1
135.08061	11.8
137.05994	3.6
139.03914	7.9
141.07016	5.2
142.07809	7.5
143.08585	17.7
145.06493	16.7
145.10135	16.1
147.08064	17.8
149.06021	5.6
149.09637	7.3
151.07692	2.9
153.07120	4.8
154.07826	4.7
155.08586	15.0
156.09338	17.9
157.06558	4.1
157.10135	35.1
158.07349	4.3
159.08107	17.4
159.11705	13.8
161.05995	30.0
161.09636	16.7
163.07574	17.2
163.11185	4.0
165.07027	7.8
166.07631	2.4
167.08604	5.6
168.09364	4.5
169.06416	2.6
169.10188	14.9
170.10931	22.9
171.08086	17.9
171.11707	43.3
172.08833	7.6
173.06020	4.6
173.09642	19.7
173.13284	9.0
175.07573	6.9
175.11151	5.0
177.05515	2.7
177.09145	3.3
178.07849	2.3
179.07088	3.5
179.08559	4.4
180.09439	5.3
181.10110	10.7
182.10898	4.1
183.08101	12.9
183.11714	43.6
184.08911	6.8
185.09660	22.7
185.13271	47.2
186.10381	2.7
187.07578	5.6
187.11169	24.3
187.14873	5.0
189.05472	5.8
189.09088	8.6
189.12756	10.0
191.07060	3.3
191.08676	2.3
193.10173	7.0
194.10918	2.8
195.07961	3.3
195.11668	17.2
196.08865	4.0
197.09679	12.3
197.13295	12.3
198.10439	22.2
199.07503	3.3
199.11162	23.0
200.11993	4.9
201.09157	5.5
201.12781	20.5
203.10698	3.6
206.10951	3.4
207.11676	8.7
209.09698	3.8
209.13242	6.7
211.11166	16.1
211.14963	2.9
213.09407	4.3
213.12746	100.0
214.09923	2.6
215.08763	3.4
215.10707	6.3
215.14349	3.9
216.09430	2.8
217.08607	3.6
218.10858	2.9
219.11812	5.1
220.12411	3.0
221.13261	9.0
223.11157	6.9
223.14970	3.1
225.09109	6.5
225.12773	16.1
227.10713	3.9
227.14221	5.0
229.12259	7.0
231.13756	15.8
233.13263	7.3
235.11140	3.5
235.14986	2.9
237.12842	5.2
239.10744	2.6
241.12299	9.9
243.13838	6.0
245.13333	4.5
245.15480	8.4
249.12593	3.5
249.16612	3.5
251.10625	3.5
251.14310	2.8
255.13832	5.4
257.13190	4.0
263.14264	2.9
271.15137	2.7
272.15399	2.5
273.14774	30.0
275.12695	4.4
277.12317	2.4
277.15771	2.8
287.13986	2.8
289.15900	2.2
293.15326	5.3
301.15851	2.9
313.18088	42.7
314.16489	2.8
315.17465	4.8
319.16919	4.4
329.17673	6.8
331.16586	3.7
333.18481	4.9
343.16760	7.2
345.18417	5.4
347.20099	3.3
357.18311	10.5
361.17926	14.0
363.19507	4.1
373.17740	2.9
375.19641	15.0
377.17755	3.7
385.17926	4.6
389.21384	3.2
391.19016	9.9
393.20947	3.4
395.18530	5.9
403.19067	9.0
407.22433	5.0
409.20178	11.0
417.20773	11.1
427.20911	4.0
431.20526	18.2
435.21838	24.1
453.22791	5.8
461.23166	2.5
463.17078	2.8
479.24493	3.4
509.25140	3.9
565.25140	3.0
583.25348	6.2
657.30688	3.8
675.26660	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	675.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01868	1.2
55.05515	7.8
60.87861	0.9
67.05502	1.5
69.03425	0.9
69.07050	0.8
75.84620	0.9
77.03926	1.2
79.05503	3.8
79.05893	0.8
81.03391	1.4
81.07035	1.3
83.04986	10.9
84.05301	1.1
89.33581	0.7
91.05479	6.9
93.07015	3.9
95.04957	3.1
95.08603	1.7
103.05472	21.2
105.03405	6.3
105.07027	9.6
107.04947	1.3
107.08586	2.4
109.06482	1.5
109.10163	1.0
111.04408	1.3
115.05440	4.2
117.07004	8.2
119.04968	1.0
119.08603	7.1
121.06527	1.8
121.10133	1.6
123.08028	1.2
125.06004	1.4
128.06216	1.7
129.06976	4.4
131.04933	30.0
131.08597	5.6
131.70390	0.7
133.06483	4.2
133.10135	8.6
135.08029	2.7
137.05946	1.1
141.06995	1.6
142.07779	2.6
143.08556	6.3
145.06494	5.4
145.10138	5.3
147.08081	4.8
147.11713	1.0
149.09595	2.6
155.08522	2.5
156.09380	4.0
157.10153	9.6
159.08078	3.7
159.11705	5.6
161.06058	5.2
161.09613	4.3
162.06804	2.1
163.07558	4.3
163.11143	1.6
165.06985	1.8
166.07663	1.0
168.09357	1.4
169.10121	6.1
170.10918	3.4
171.08022	3.0
171.11703	13.4
173.09604	5.5
173.13220	1.5
175.07549	5.1
175.11172	1.9
176.08427	1.0
177.09117	15.5
178.06229	1.4
179.08432	1.0
179.10645	0.8
180.09277	1.6
181.10158	1.8
182.10905	1.3
183.08086	1.7
183.11700	16.2
184.08833	1.2
185.09680	3.8
185.13257	9.4
187.07582	1.1
187.11203	2.3
189.05437	1.5
189.09038	3.9
191.10641	2.1
192.09325	1.1
193.08597	4.7
193.10132	1.7
194.10811	1.0
195.11700	3.6
197.09610	2.3
197.13319	3.9
199.11176	5.5
200.11821	1.2
201.09108	1.5
201.12737	2.2
203.08762	0.8
203.10681	1.9
205.08586	3.2
205.12070	1.4
207.11754	1.9
209.09618	0.9
209.13406	0.9
211.07671	0.9
211.11156	3.6
213.09171	1.5
213.12758	14.4
215.08531	1.2
215.10667	1.4
217.12216	1.5
218.10797	1.2
219.11600	2.1
220.12358	0.9
221.13268	3.1
222.14003	0.9
223.11185	1.0
223.14778	0.9
225.12694	1.0
227.10611	1.5
229.12360	2.7
230.10854	1.5
231.10023	1.5
231.13757	2.6
233.11528	1.0
235.14935	1.2
237.12711	1.5
241.12233	2.4
243.13811	1.8
244.12529	1.0
244.40114	0.8
245.13281	2.4
245.15448	3.5
247.14893	1.4
249.12753	0.9
255.11656	1.0
255.13960	1.0
257.13217	1.5
258.13980	1.1
259.15125	1.2
261.16492	1.3
263.16666	0.9
267.14005	0.9
270.13998	1.1
271.14603	1.0
272.15509	1.3
273.14752	8.2
275.12717	1.3
285.12650	1.2
285.16180	1.4
287.14615	0.9
291.17337	1.1
301.12286	0.9
301.15860	1.5
305.15100	0.8
315.17490	1.8
317.15332	1.6
321.18530	1.0
331.16885	3.5
333.18228	1.7
343.16751	2.5
345.18594	1.9
347.20050	2.4
349.17935	1.0
357.18533	2.9
359.16409	1.1
361.18036	4.5
363.19482	1.5
373.18045	1.8
375.19547	4.8
379.18753	1.0
385.17944	2.0
391.18866	1.5
393.20551	1.9
395.18738	1.2
403.19092	3.9
405.20474	1.9
409.20227	1.4
417.20480	3.5
419.18301	1.1
420.18729	1.3
421.19702	1.1
430.16754	1.0
435.21823	6.6
437.19473	2.5
438.19669	1.3
439.20102	1.2
441.19046	1.2
449.23035	3.4
455.13980	0.8
455.20856	1.6
456.21082	0.9
463.11649	0.9
467.13226	1.4
467.24124	2.6
468.14252	1.8
469.14932	6.1
470.15744	1.5
475.23001	0.9
481.15137	2.4
482.15985	8.6
483.16583	7.3
484.17285	1.0
485.18561	1.1
495.16724	4.5
495.73059	0.9
496.17331	5.4
497.18271	31.3
498.18521	3.4
510.18936	1.9
511.19638	3.6
512.20062	0.9
515.19177	1.1
523.16040	1.1
527.26556	1.1
528.16217	1.7
542.17798	2.0
555.18365	4.1
556.19409	3.1
557.20184	2.5
643.22968	6.2
644.24707	5.5
657.24524	3.8
660.24139	2.5
675.26385	100.0
676.26263	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	675.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.9
54.82204	1.4
55.01876	2.0
55.05508	2.8
56.94728	1.4
63.86834	1.4
67.05513	8.4
69.03432	8.6
69.07085	3.6
69.63683	8.5
77.03936	2.4
79.05495	16.5
81.03418	17.6
81.07066	7.5
82.34464	1.5
83.04958	2.6
83.08626	2.8
87.96935	1.7
91.05495	11.1
93.07053	13.3
95.04971	24.1
95.08618	9.0
95.18170	1.5
98.21449	3.3
103.05492	3.0
105.03397	69.3
105.04515	3.7
105.07021	12.7
106.03650	1.4
107.04950	10.8
107.08592	9.3
109.06521	4.8
109.10155	4.7
115.05463	2.3
117.07016	5.0
119.08585	23.9
121.06535	3.9
121.10134	7.6
123.08076	2.2
128.06238	4.2
129.07069	2.9
131.04947	6.1
131.08604	8.4
133.06474	2.6
133.10104	11.1
135.08031	3.7
141.07068	1.7
142.07719	3.7
143.08553	10.1
145.06522	7.6
145.10123	10.0
147.08028	9.8
149.09717	3.6
153.06906	2.2
155.08569	6.3
156.09364	5.2
157.10139	10.4
159.08044	3.2
159.11728	5.1
161.09634	7.0
165.06998	1.8
165.09212	2.0
166.07738	1.8
167.08565	3.9
169.10150	8.8
171.08080	6.3
171.11674	9.0
173.09557	3.8
173.13275	3.4
175.11284	2.6
179.08534	4.4
180.09335	1.8
181.10204	3.8
182.10919	3.2
183.08032	3.3
183.11720	9.5
184.08762	2.2
185.09656	4.1
185.13277	5.5
187.11218	2.3
187.14893	2.1
191.08572	2.5
192.09325	4.0
193.10147	7.4
194.10913	3.0
195.11707	7.0
196.08945	1.7
197.09616	3.2
197.13280	6.7
199.11169	11.3
199.14896	2.1
201.12784	1.9
203.08452	2.0
204.09337	1.8
205.10019	3.7
206.10919	3.5
207.11736	8.8
208.12376	2.2
209.09583	3.9
209.13185	8.0
211.11147	3.7
211.14847	3.5
213.12767	3.5
215.08636	2.1
216.09317	2.1
217.10150	5.9
218.11081	2.0
219.11659	6.2
220.12535	4.1
221.09747	2.8
221.13252	11.9
222.10452	2.2
222.13927	2.0
223.11165	5.3
223.14816	6.7
225.12720	6.8
225.16348	1.6
227.20114	2.9
229.10129	3.8
230.10899	2.7
231.11720	6.5
232.12502	4.3
233.13231	9.5
234.13988	4.2
235.11177	3.7
235.14836	7.0
237.12798	4.5
237.16374	5.1
239.14377	3.7
242.10886	1.7
243.11771	5.3
244.12491	5.1
245.13301	5.8
246.14075	3.4
247.10997	2.0
247.14839	6.4
248.15526	2.9
249.12755	3.5
249.16339	5.2
251.14325	10.9
251.17987	4.8
255.11594	2.5
255.21028	4.3
257.13290	4.5
258.14059	4.5
259.10950	2.3
259.14856	7.2
261.16400	8.0
263.14340	3.2
263.17899	3.4
265.15976	6.2
268.12720	2.2
271.14642	2.7
272.11707	1.7
273.16559	3.5
274.17151	3.8
275.14365	4.1
275.17813	1.8
277.15921	3.2
277.19382	2.8
279.17493	3.6
282.14276	1.9
285.12927	1.7
285.16220	1.7
287.14352	2.8
287.17972	5.0
289.19470	1.7
291.17264	3.1
293.22659	5.2
297.13034	2.2
297.16498	2.3
299.14420	1.9
300.14786	1.6
301.15750	2.3
303.13684	2.4
305.15735	1.8
309.16364	2.1
311.14215	3.3
313.15955	4.7
315.17294	14.3
325.16101	7.6
326.16608	3.0
327.17419	4.1
329.19058	3.7
331.16852	3.7
331.20538	4.0
331.94882	1.6
340.18158	6.5
343.17038	3.0
343.20593	9.7
345.18466	2.2
345.22141	13.9
355.20587	71.9
358.19318	2.6
361.25180	2.2
373.21637	100.0
391.22897	3.4
415.22528	12.3
433.23767	17.2
433.31024	18.3
462.21823	2.8
477.24246	15.3
477.30795	2.3
493.25955	7.8
675.28595	2.2
675.39966	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25996	0.9
53.03931	2.1
55.01856	1.9
55.05500	2.3
60.41116	0.8
61.11595	0.7
67.05481	2.9
69.03434	1.7
69.07054	1.6
69.85569	4.2
74.62976	0.9
77.88473	0.9
79.05474	3.7
81.03394	2.2
81.07054	2.1
83.04970	2.9
91.05482	7.0
93.07072	4.0
95.04964	4.6
95.08577	2.3
99.04411	1.0
103.05479	38.4
105.03368	1.8
105.04504	0.8
105.07046	9.0
107.04941	2.2
107.08559	2.2
109.06486	1.2
109.10139	1.2
111.04425	1.8
115.05440	3.8
117.07034	9.2
119.07949	0.7
119.08593	8.2
121.06473	2.0
121.10165	1.9
123.04344	0.8
123.08051	1.4
125.05968	0.8
128.06238	1.6
129.06963	3.5
130.07776	1.1
131.04939	71.5
131.08574	7.6
133.06461	3.0
133.10085	4.4
135.08075	1.4
137.09537	0.9
141.06987	1.9
142.07759	2.3
143.08554	5.6
145.06497	6.7
145.10130	6.0
147.08052	3.8
147.11653	1.2
149.05948	1.3
149.09622	4.2
151.07512	1.1
153.06987	1.1
154.07733	0.8
155.08548	2.3
156.09351	5.4
157.06506	1.3
157.10139	9.1
158.11020	1.1
159.08054	7.8
159.11679	5.4
161.05956	3.1
161.09644	4.0
162.06750	1.9
163.07564	3.9
163.11208	0.9
168.09343	1.4
169.10103	4.6
170.10872	1.6
171.08006	2.5
171.11717	9.8
171.43300	0.9
172.08794	1.8
173.09659	4.4
173.13243	2.9
175.07607	5.2
175.11142	1.7
176.08281	1.3
177.07619	1.3
177.09106	15.9
178.06323	1.2
179.08510	1.4
180.09387	1.1
181.10204	1.6
183.08051	1.6
183.11696	12.1
184.08847	1.0
185.09608	2.9
185.13275	6.8
187.07542	1.8
187.11147	2.6
189.05408	1.1
189.09109	4.0
191.10661	3.4
193.08582	4.8
193.10126	1.8
194.10854	0.9
195.10121	0.8
195.11713	2.5
196.08847	1.6
197.09558	1.5
197.13231	2.5
199.07562	1.2
199.11154	5.6
201.09058	1.7
201.12718	5.6
203.10628	2.5
205.08562	3.1
205.12230	1.6
207.11684	2.3
209.13252	1.9
211.11174	3.3
213.12735	6.7
215.10617	1.8
217.12186	1.0
218.10892	1.1
219.11707	1.2
221.13286	2.2
221.34673	0.9
225.09052	1.1
225.12697	1.9
227.10663	2.0
229.12238	7.6
231.10117	1.3
231.13918	1.3
235.14830	1.1
237.12752	1.2
239.14427	1.6
241.12138	1.0
242.10828	0.9
243.11789	1.2
243.13901	1.3
245.13371	1.0
245.15408	1.9
246.14059	1.1
257.13150	1.2
258.13892	1.0
259.13098	1.0
260.15448	1.3
261.12756	1.1
267.13779	1.4
273.14532	2.0
275.14398	1.0
277.15848	1.4
287.18024	1.0
289.15622	1.1
307.16681	0.9
313.14694	0.9
319.17056	1.0
329.15121	1.2
331.16425	2.9
333.18375	1.2
343.17087	2.0
345.18362	1.9
347.16428	1.1
357.18436	1.9
359.16183	1.0
361.17902	3.5
373.18002	0.9
375.19595	1.6
387.17868	0.8
389.17236	1.7
391.18887	1.0
393.20993	1.1
403.18823	2.2
407.18390	2.8
417.20795	1.6
425.19443	1.3
431.21744	1.0
435.21515	2.8
449.23364	2.2
456.13855	1.0
467.24176	2.8
469.14743	5.4
470.15408	1.7
471.16501	1.4
478.28488	1.9
481.14575	1.9
482.15970	8.0
483.16583	8.0
484.17026	1.8
485.18243	1.8
495.17123	4.3
496.17697	4.8
497.18286	30.2
498.19049	4.2
509.25491	1.6
511.19623	4.4
523.16174	1.4
527.27075	1.2
528.16333	1.6
542.17676	1.2
555.18903	5.4
556.19452	3.4
557.20392	2.4
616.21503	2.0
617.22223	1.4
643.22656	5.6
644.24646	5.5
657.25208	5.9
660.23724	2.8
675.26349	100.0
676.26501	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	675.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.8
53.03941	1.9
55.01869	1.0
55.05506	1.7
65.03944	0.7
67.05502	1.7
69.03416	1.1
77.03877	0.8
79.05485	2.1
81.03445	0.7
81.07028	1.3
83.04971	2.4
91.05484	7.5
93.07034	3.4
95.04965	3.5
97.06532	0.8
97.48253	0.8
98.20753	1.4
103.05470	21.7
105.03397	10.3
105.04552	0.8
105.07037	6.9
107.04990	1.0
107.08601	2.5
109.06524	0.9
115.05479	2.7
117.03358	1.7
117.07022	7.1
119.04961	0.9
119.08569	6.3
121.06469	1.8
121.10090	1.3
123.08051	0.8
125.06039	1.0
128.06216	1.8
129.06996	2.2
131.04936	38.9
131.08539	6.3
133.06491	3.1
133.10149	4.0
134.07239	1.3
135.08055	1.8
137.79173	0.9
141.07047	1.5
142.07747	2.3
143.04974	0.9
143.08577	3.9
144.09335	0.9
145.02835	3.6
145.06525	3.9
145.10117	3.5
147.08032	2.6
147.11626	0.8
149.06020	1.0
149.09622	3.5
153.06950	0.9
155.08539	2.7
156.09314	2.9
157.10136	8.8
159.08055	3.6
159.11661	3.9
161.05984	4.8
161.09634	2.4
162.06740	2.1
162.74702	0.8
163.07623	1.9
163.11188	1.5
165.09158	0.9
167.08557	0.9
168.09312	1.0
169.10155	4.4
170.10915	2.8
171.08058	2.2
171.11707	10.3
173.05956	0.9
173.09642	3.1
173.13235	1.2
175.07513	4.8
175.11208	1.8
176.08380	1.0
177.05493	8.6
177.09102	12.1
178.06319	1.1
179.06975	0.8
179.10818	0.8
181.10146	1.8
183.08029	1.3
183.10251	1.2
183.11714	11.6
185.09689	1.8
185.13266	7.9
187.07591	1.0
187.11176	2.1
189.09093	2.8
191.10663	2.6
193.08585	4.4
193.10133	1.5
193.12315	1.2
195.07951	1.1
195.11678	2.4
197.09631	2.3
197.13264	1.8
198.10443	1.2
199.11221	4.1
201.09131	1.9
201.12636	1.1
203.10706	1.2
205.08549	3.6
207.11760	1.1
209.09605	1.0
209.13226	1.2
211.11229	1.8
213.09117	1.6
213.12685	8.7
215.10606	1.3
217.12296	1.7
218.10971	1.2
221.13213	1.9
225.09146	1.5
225.12775	1.1
229.10165	1.1
229.12152	1.8
230.10944	1.0
231.09911	0.9
231.13780	1.2
232.12527	1.2
241.12262	0.9
243.13835	2.0
245.11662	1.0
245.15463	3.5
246.14034	1.1
247.15050	1.0
248.23878	0.8
257.13324	1.7
258.14078	1.1
259.11130	0.9
259.14764	1.5
261.12656	0.9
261.16504	1.2
263.14011	1.0
270.13947	1.2
273.14771	4.2
285.16348	1.1
287.14178	1.1
289.14362	1.6
293.15372	0.9
301.15881	1.1
302.16785	0.9
303.13809	1.1
311.14066	0.9
313.15878	1.1
315.13583	0.9
315.17346	1.3
329.15247	1.9
331.16663	3.9
333.18356	1.4
341.15131	1.1
343.16879	2.3
345.18460	2.5
355.17004	1.3
357.18420	1.6
361.18048	1.4
373.17804	1.4
375.19638	2.2
401.17392	1.0
403.19089	1.4
405.20703	1.0
417.20535	1.3
419.18170	1.0
433.20343	0.9
435.21649	2.2
445.18921	1.0
449.23218	2.4
451.20871	1.3
455.12833	1.1
467.18008	1.0
467.24243	2.8
469.15033	5.3
470.15598	1.9
471.16403	1.9
481.14725	2.2
482.15771	7.0
483.16653	6.6
484.17328	1.5
485.18240	1.5
495.16800	4.8
496.17566	4.4
497.18246	30.1
498.18771	2.2
499.16544	0.8
509.24866	1.4
510.18719	1.5
511.19595	4.3
515.19330	1.4
527.26581	1.7
528.16101	1.7
542.17236	1.3
555.18561	6.5
556.19330	2.6
557.20282	3.2
573.22992	1.5
616.21393	1.3
617.22070	1.7
624.38336	0.9
643.22559	4.2
643.49927	1.0
644.24670	5.6
645.21912	1.3
657.24670	4.2
660.24005	2.5
675.26379	100.0
676.26617	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	675.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01868	1.2
55.05515	7.8
60.87861	0.9
67.05502	1.5
69.03425	0.9
69.07050	0.8
75.84620	0.9
77.03926	1.2
79.05503	3.8
79.05893	0.8
81.03391	1.4
81.07035	1.3
83.04986	10.9
84.05301	1.1
89.33581	0.7
91.05479	6.9
93.07015	3.9
95.04957	3.1
95.08603	1.7
103.05472	21.2
105.03405	6.3
105.07027	9.6
107.04947	1.3
107.08586	2.4
109.06482	1.5
109.10163	1.0
111.04408	1.3
115.05440	4.2
117.07004	8.2
119.04968	1.0
119.08603	7.1
121.06527	1.8
121.10133	1.6
123.08028	1.2
125.06004	1.4
128.06216	1.7
129.06976	4.4
131.04933	30.0
131.08597	5.6
131.70390	0.7
133.06483	4.2
133.10135	8.6
135.08029	2.7
137.05946	1.1
141.06995	1.6
142.07779	2.6
143.08556	6.3
145.06494	5.4
145.10138	5.3
147.08081	4.8
147.11713	1.0
149.09595	2.6
155.08522	2.5
156.09380	4.0
157.10153	9.6
159.08078	3.7
159.11705	5.6
161.06058	5.2
161.09613	4.3
162.06804	2.1
163.07558	4.3
163.11143	1.6
165.06985	1.8
166.07663	1.0
168.09357	1.4
169.10121	6.1
170.10918	3.4
171.08022	3.0
171.11703	13.4
173.09604	5.5
173.13220	1.5
175.07549	5.1
175.11172	1.9
176.08427	1.0
177.09117	15.5
178.06229	1.4
179.08432	1.0
179.10645	0.8
180.09277	1.6
181.10158	1.8
182.10905	1.3
183.08086	1.7
183.11700	16.2
184.08833	1.2
185.09680	3.8
185.13257	9.4
187.07582	1.1
187.11203	2.3
189.05437	1.5
189.09038	3.9
191.10641	2.1
192.09325	1.1
193.08597	4.7
193.10132	1.7
194.10811	1.0
195.11700	3.6
197.09610	2.3
197.13319	3.9
199.11176	5.5
200.11821	1.2
201.09108	1.5
201.12737	2.2
203.08762	0.8
203.10681	1.9
205.08586	3.2
205.12070	1.4
207.11754	1.9
209.09618	0.9
209.13406	0.9
211.07671	0.9
211.11156	3.6
213.09171	1.5
213.12758	14.4
215.08531	1.2
215.10667	1.4
217.12216	1.5
218.10797	1.2
219.11600	2.1
220.12358	0.9
221.13268	3.1
222.14003	0.9
223.11185	1.0
223.14778	0.9
225.12694	1.0
227.10611	1.5
229.12360	2.7
230.10854	1.5
231.10023	1.5
231.13757	2.6
233.11528	1.0
235.14935	1.2
237.12711	1.5
241.12233	2.4
243.13811	1.8
244.12529	1.0
244.40114	0.8
245.13281	2.4
245.15448	3.5
247.14893	1.4
249.12753	0.9
255.11656	1.0
255.13960	1.0
257.13217	1.5
258.13980	1.1
259.15125	1.2
261.16492	1.3
263.16666	0.9
267.14005	0.9
270.13998	1.1
271.14603	1.0
272.15509	1.3
273.14752	8.2
275.12717	1.3
285.12650	1.2
285.16180	1.4
287.14615	0.9
291.17337	1.1
301.12286	0.9
301.15860	1.5
305.15100	0.8
315.17490	1.8
317.15332	1.6
321.18530	1.0
331.16885	3.5
333.18228	1.7
343.16751	2.5
345.18594	1.9
347.20050	2.4
349.17935	1.0
357.18533	2.9
359.16409	1.1
361.18036	4.5
363.19482	1.5
373.18045	1.8
375.19547	4.8
379.18753	1.0
385.17944	2.0
391.18866	1.5
393.20551	1.9
395.18738	1.2
403.19092	3.9
405.20474	1.9
409.20227	1.4
417.20480	3.5
419.18301	1.1
420.18729	1.3
421.19702	1.1
430.16754	1.0
435.21823	6.6
437.19473	2.5
438.19669	1.3
439.20102	1.2
441.19046	1.2
449.23035	3.4
455.13980	0.8
455.20856	1.6
456.21082	0.9
463.11649	0.9
467.13226	1.4
467.24124	2.6
468.14252	1.8
469.14932	6.1
470.15744	1.5
475.23001	0.9
481.15137	2.4
482.15985	8.6
483.16583	7.3
484.17285	1.0
485.18561	1.1
495.16724	4.5
495.73059	0.9
496.17331	5.4
497.18271	31.3
498.18521	3.4
510.18936	1.9
511.19638	3.6
512.20062	0.9
515.19177	1.1
523.16040	1.1
527.26556	1.1
528.16217	1.7
542.17798	2.0
555.18365	4.1
556.19409	3.1
557.20184	2.5
643.22968	6.2
644.24707	5.5
657.24524	3.8
660.24139	2.5
675.26385	100.0
676.26263	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	675.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	12.1
55.01871	9.4
55.05520	59.8
59.64352	4.9
59.84352	5.2
65.03950	7.5
67.05502	25.5
69.03438	39.5
69.07060	11.4
69.97768	10.9
69.98116	23.0
71.01364	9.4
78.68786	5.6
79.05488	23.8
81.03422	17.9
81.07063	39.6
83.04987	100.0
83.08636	8.8
85.02904	14.0
91.05482	51.8
93.07047	38.1
93.40334	5.1
95.04968	24.1
95.08622	35.8
97.02877	5.8
97.78764	5.9
99.84583	5.9
100.07607	11.5
103.05459	12.8
105.03420	13.5
105.07037	66.9
107.04973	16.4
107.08607	26.8
109.02872	7.9
109.06534	13.9
109.10159	12.4
111.04458	9.0
111.08060	6.2
115.05429	9.2
117.07019	20.8
119.04926	9.0
119.08603	47.2
120.08103	5.4
120.09019	6.0
121.06504	23.3
121.10145	20.5
123.04478	9.0
123.05560	41.3
128.06270	8.5
129.07036	13.2
131.04942	21.9
131.08586	40.0
133.06516	26.5
133.10146	47.6
135.08063	17.7
137.05975	17.8
137.93794	4.9
140.66286	5.1
141.07030	13.1
142.07782	15.2
143.08626	26.8
145.06480	19.4
145.10127	31.2
147.08051	22.4
147.11674	12.1
149.06017	15.9
149.09634	15.4
153.06812	5.3
154.07846	5.6
155.08514	20.4
156.09344	21.0
157.06570	8.1
157.10141	51.4
159.08075	25.6
159.11678	15.3
161.06009	24.9
161.09641	15.9
163.07565	10.9
163.11226	14.1
165.06963	10.2
165.09167	6.8
167.08521	6.8
168.09293	9.4
169.10149	46.7
170.10909	22.6
171.08025	17.0
171.11691	95.2
173.09630	30.3
173.13286	8.8
175.07545	19.2
175.11263	8.5
177.09000	6.9
179.07042	7.1
179.08537	11.2
181.10129	21.0
183.08124	14.5
183.11702	87.9
185.09668	15.3
185.13295	59.9
187.11171	14.1
189.05476	7.1
189.09068	5.7
191.10612	8.5
192.09448	10.0
193.10182	13.6
193.12329	9.8
195.11751	22.8
197.09692	19.0
197.13266	20.0
199.07597	7.1
199.11198	37.9
201.09048	7.0
201.12759	13.1
206.10828	9.2
207.06477	6.6
207.11740	27.2
209.09718	6.6
209.13275	16.7
211.11310	26.3
211.13042	8.0
213.09233	10.0
213.12714	51.5
215.10757	13.4
217.10132	13.0
218.10915	13.0
219.11761	7.2
220.12506	14.7
221.09761	8.5
221.13271	19.5
223.11226	10.0
225.09174	7.0
225.12761	9.6
225.75742	5.8
227.10645	7.5
229.10246	8.6
229.12273	11.1
230.10867	9.3
231.11885	11.2
231.13829	19.5
232.12480	12.1
233.09654	7.4
233.13312	25.6
234.14131	14.9
235.11203	10.2
235.14870	25.8
236.15694	9.4
237.12749	10.8
237.16367	9.0
239.14204	7.4
241.12210	13.5
243.11871	12.8
243.13863	15.4
244.12494	21.4
245.13220	23.9
245.15454	22.5
246.14026	10.4
247.11198	11.9
247.14822	18.3
248.11530	6.1
248.15538	7.8
249.12637	12.6
249.16499	13.1
250.13467	8.3
251.14470	6.8
256.12524	7.9
258.14117	10.1
259.11008	9.5
259.14905	20.4
260.12085	9.6
260.15515	18.3
261.12637	13.7
261.16412	24.5
262.13565	7.2
263.14374	18.4
263.17902	13.5
265.15948	9.0
269.12970	9.5
270.14224	9.7
271.11124	6.5
271.14801	7.7
272.11917	7.8
273.16556	7.0
274.13440	11.5
275.14413	16.7
275.17892	11.8
277.15833	13.4
279.13840	8.3
279.17487	6.9
281.15472	9.4
283.11035	9.5
285.12543	6.5
285.16714	11.4
286.13458	11.3
287.10687	6.7
287.14182	15.7
288.14908	6.0
289.12582	6.5
289.15894	22.4
291.17432	21.0
293.18976	10.3
298.13556	8.1
301.15781	10.5
303.05005	16.8
303.17438	24.1
305.15375	7.9
307.16940	13.8
309.18561	9.1
313.15607	13.7
315.09940	6.9
316.14426	6.9
317.15372	10.0
319.17090	15.7
320.17789	6.1
321.18488	23.1
327.17307	13.2
329.11475	7.7
329.15295	6.7
331.16901	20.9
333.18564	9.2
337.18079	13.5
341.15393	6.4
343.13278	7.6
343.17072	12.3
345.18436	15.9
347.16397	11.2
349.17947	14.6
351.19708	8.9
353.21091	10.1
355.16846	16.5
359.16354	11.0
361.17911	11.6
363.19653	9.0
367.18848	12.2
373.18063	32.5
377.17368	24.5
379.19415	7.5
383.16504	6.3
391.19125	35.7
395.18393	12.8
397.20203	16.9
401.17538	11.9
405.20795	7.1
407.18329	10.1
409.20053	21.7
419.18719	43.6
423.21729	8.1
433.20178	11.6
437.19479	63.4
451.21085	30.1
455.20615	25.5
469.22159	25.2
497.21716	16.8
515.22705	15.5
529.24231	18.9
589.25934	6.9
657.25427	8.6
675.27203	16.1
676.25659	6.5
676.36353	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	675.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58350	2.5
53.03946	6.7
55.01883	6.9
55.05514	30.3
55.26819	2.8
56.36662	2.5
60.00007	2.8
62.98825	2.6
63.27187	3.3
67.05499	8.7
68.99778	5.5
69.03436	10.7
69.07090	2.7
70.06586	3.9
71.55668	3.1
73.27988	2.3
79.05507	11.4
81.03428	4.8
81.07066	12.7
83.04989	40.4
83.63853	3.0
85.02893	3.9
91.05494	21.1
93.07050	12.0
95.04983	12.2
95.08624	8.2
97.02901	3.4
97.06528	2.7
103.05481	59.1
105.03400	15.8
105.07035	32.3
107.02476	2.8
107.08605	12.4
109.06544	7.8
109.10179	6.3
109.20172	2.9
115.05465	8.2
116.06359	3.0
117.07077	16.7
119.08591	37.8
121.06523	9.1
121.10172	5.9
123.08047	5.9
125.06048	4.7
128.06247	7.5
129.07022	9.9
131.04936	100.0
131.08583	21.2
133.06517	14.0
133.10167	17.1
135.08064	7.6
141.07037	4.8
142.07816	11.2
143.08534	25.2
145.06503	10.0
145.10150	18.2
147.08061	13.1
149.06000	10.2
149.09657	15.0
153.07018	3.6
155.08586	11.8
156.09351	12.6
157.10127	37.8
158.10722	3.7
159.08063	17.9
159.11685	28.8
161.05969	18.0
161.09636	11.4
163.07552	15.2
163.11241	3.8
165.07040	4.2
165.09180	6.3
166.07983	2.8
167.08577	6.2
168.09337	5.1
169.06448	3.3
169.10144	26.4
170.10841	9.6
171.08060	7.1
171.11717	45.8
173.06010	4.3
173.09656	10.5
173.13269	10.6
175.07576	11.1
177.05540	8.6
177.09088	20.6
179.08577	6.9
181.10149	11.6
183.08112	5.3
183.11729	56.3
184.08827	3.3
184.12262	3.5
185.09682	11.5
185.13283	23.6
187.07539	5.6
187.11217	15.3
189.05460	10.1
189.09138	7.1
191.07100	8.4
191.10680	4.7
193.10127	8.7
195.11740	9.9
197.09663	11.5
197.13263	10.2
199.07532	6.0
199.11188	14.4
201.09027	4.2
201.12802	11.0
203.07022	4.9
205.08548	4.1
205.10249	4.5
206.10966	4.0
207.11792	10.9
209.09741	6.5
209.13277	8.6
211.07613	3.6
211.11198	13.3
213.09239	6.4
213.12761	15.4
214.42586	2.8
215.07076	3.2
215.10709	7.1
217.10219	3.5
217.12238	4.0
218.10953	3.6
219.11766	6.6
219.13721	3.9
220.12541	5.9
221.13280	12.6
223.11253	6.9
223.14864	4.1
225.09166	4.4
225.12831	3.0
229.12256	12.1
230.10941	3.8
231.11852	5.7
231.13878	12.2
232.12425	4.5
233.13322	5.2
233.15422	4.4
235.14786	7.6
237.12744	3.8
241.12404	3.9
243.11725	5.6
243.13835	10.2
244.12486	3.7
245.13223	10.8
245.15506	9.6
246.13911	9.0
247.14978	6.5
253.12320	5.0
254.10878	3.5
255.11705	3.6
256.12543	4.2
257.13254	10.3
258.14087	10.1
259.14883	9.2
260.11691	5.7
260.15631	3.4
261.12680	5.2
261.15015	5.0
265.12250	4.7
269.13174	4.6
271.14908	8.0
272.38733	3.5
273.12726	6.8
273.16507	6.8
275.14673	3.0
275.17740	4.0
277.15854	3.2
283.14813	5.7
284.11905	3.0
285.12912	6.4
285.16492	10.1
286.13629	3.8
287.18021	3.9
288.15256	3.4
289.12183	4.5
289.15814	3.6
299.14383	5.3
301.12265	5.1
301.15887	6.9
303.13925	6.0
303.17099	5.9
313.15927	5.9
315.17349	5.4
317.15314	7.6
319.13330	3.7
319.16937	6.1
327.13629	4.5
329.15384	10.0
331.16937	12.2
335.20020	4.0
337.18198	3.2
340.15457	5.6
341.15668	3.3
343.17029	9.3
345.14731	7.1
345.18515	8.7
347.16431	15.1
349.17990	3.9
359.16251	14.8
361.17905	11.3
371.16364	3.9
373.18082	7.9
375.19855	4.8
377.17447	10.9
379.19028	5.3
387.15970	6.5
389.17572	7.2
391.19162	11.1
393.20682	4.5
401.17569	11.4
403.19110	8.3
405.20963	6.0
409.20190	6.0
419.18576	17.9
421.20169	15.8
433.20447	6.1
435.22006	4.7
437.19913	11.8
447.17950	6.0
449.19547	6.8
451.21259	13.1
453.22842	3.8
455.20612	5.4
465.19055	6.9
469.22241	6.8
479.20856	5.4
483.20270	5.3
485.21750	3.2
497.21732	13.0
575.25781	5.7
657.26978	3.1
675.29163	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	675.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58350	2.5
53.03946	6.7
55.01883	6.9
55.05514	30.3
55.26819	2.8
56.36662	2.5
60.00007	2.8
62.98825	2.6
63.27187	3.3
67.05499	8.7
68.99778	5.5
69.03436	10.7
69.07090	2.7
70.06586	3.9
71.55668	3.1
73.27988	2.3
79.05507	11.4
81.03428	4.8
81.07066	12.7
83.04989	40.4
83.63853	3.0
85.02893	3.9
91.05494	21.1
93.07050	12.0
95.04983	12.2
95.08624	8.2
97.02901	3.4
97.06528	2.7
103.05481	59.1
105.03400	15.8
105.07035	32.3
107.02476	2.8
107.08605	12.4
109.06544	7.8
109.10179	6.3
109.20172	2.9
115.05465	8.2
116.06359	3.0
117.07077	16.7
119.08591	37.8
121.06523	9.1
121.10172	5.9
123.08047	5.9
125.06048	4.7
128.06247	7.5
129.07022	9.9
131.04936	100.0
131.08583	21.2
133.06517	14.0
133.10167	17.1
135.08064	7.6
141.07037	4.8
142.07816	11.2
143.08534	25.2
145.06503	10.0
145.10150	18.2
147.08061	13.1
149.06000	10.2
149.09657	15.0
153.07018	3.6
155.08586	11.8
156.09351	12.6
157.10127	37.8
158.10722	3.7
159.08063	17.9
159.11685	28.8
161.05969	18.0
161.09636	11.4
163.07552	15.2
163.11241	3.8
165.07040	4.2
165.09180	6.3
166.07983	2.8
167.08577	6.2
168.09337	5.1
169.06448	3.3
169.10144	26.4
170.10841	9.6
171.08060	7.1
171.11717	45.8
173.06010	4.3
173.09656	10.5
173.13269	10.6
175.07576	11.1
177.05540	8.6
177.09088	20.6
179.08577	6.9
181.10149	11.6
183.08112	5.3
183.11729	56.3
184.08827	3.3
184.12262	3.5
185.09682	11.5
185.13283	23.6
187.07539	5.6
187.11217	15.3
189.05460	10.1
189.09138	7.1
191.07100	8.4
191.10680	4.7
193.10127	8.7
195.11740	9.9
197.09663	11.5
197.13263	10.2
199.07532	6.0
199.11188	14.4
201.09027	4.2
201.12802	11.0
203.07022	4.9
205.08548	4.1
205.10249	4.5
206.10966	4.0
207.11792	10.9
209.09741	6.5
209.13277	8.6
211.07613	3.6
211.11198	13.3
213.09239	6.4
213.12761	15.4
214.42586	2.8
215.07076	3.2
215.10709	7.1
217.10219	3.5
217.12238	4.0
218.10953	3.6
219.11766	6.6
219.13721	3.9
220.12541	5.9
221.13280	12.6
223.11253	6.9
223.14864	4.1
225.09166	4.4
225.12831	3.0
229.12256	12.1
230.10941	3.8
231.11852	5.7
231.13878	12.2
232.12425	4.5
233.13322	5.2
233.15422	4.4
235.14786	7.6
237.12744	3.8
241.12404	3.9
243.11725	5.6
243.13835	10.2
244.12486	3.7
245.13223	10.8
245.15506	9.6
246.13911	9.0
247.14978	6.5
253.12320	5.0
254.10878	3.5
255.11705	3.6
256.12543	4.2
257.13254	10.3
258.14087	10.1
259.14883	9.2
260.11691	5.7
260.15631	3.4
261.12680	5.2
261.15015	5.0
265.12250	4.7
269.13174	4.6
271.14908	8.0
272.38733	3.5
273.12726	6.8
273.16507	6.8
275.14673	3.0
275.17740	4.0
277.15854	3.2
283.14813	5.7
284.11905	3.0
285.12912	6.4
285.16492	10.1
286.13629	3.8
287.18021	3.9
288.15256	3.4
289.12183	4.5
289.15814	3.6
299.14383	5.3
301.12265	5.1
301.15887	6.9
303.13925	6.0
303.17099	5.9
313.15927	5.9
315.17349	5.4
317.15314	7.6
319.13330	3.7
319.16937	6.1
327.13629	4.5
329.15384	10.0
331.16937	12.2
335.20020	4.0
337.18198	3.2
340.15457	5.6
341.15668	3.3
343.17029	9.3
345.14731	7.1
345.18515	8.7
347.16431	15.1
349.17990	3.9
359.16251	14.8
361.17905	11.3
371.16364	3.9
373.18082	7.9
375.19855	4.8
377.17447	10.9
379.19028	5.3
387.15970	6.5
389.17572	7.2
391.19162	11.1
393.20682	4.5
401.17569	11.4
403.19110	8.3
405.20963	6.0
409.20190	6.0
419.18576	17.9
421.20169	15.8
433.20447	6.1
435.22006	4.7
437.19913	11.8
447.17950	6.0
449.19547	6.8
451.21259	13.1
453.22842	3.8
455.20612	5.4
465.19055	6.9
469.22241	6.8
479.20856	5.4
483.20270	5.3
485.21750	3.2
497.21732	13.0
575.25781	5.7
657.26978	3.1
675.29163	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	675.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01870	4.3
55.05510	3.3
67.05511	4.3
69.03430	17.1
69.07054	6.5
77.03910	3.7
79.05498	10.6
81.07059	8.2
83.01322	2.6
83.04980	6.5
91.05487	15.9
92.36930	2.5
92.38577	2.4
93.07041	11.6
95.04969	10.1
95.08633	4.5
101.21101	2.4
103.05473	40.2
103.92313	2.2
105.03407	2.8
105.07050	26.2
107.04958	5.9
107.08603	9.1
109.06521	5.3
115.05448	6.5
117.07014	15.1
119.08585	25.9
121.06519	6.7
121.10170	4.2
123.08072	3.0
128.06265	6.2
129.07019	7.1
131.04939	85.6
131.08591	19.8
132.05283	2.9
133.06519	16.9
133.07399	3.2
133.10165	15.3
135.08063	10.2
141.07033	3.1
142.07768	10.7
143.04895	2.6
143.08586	18.9
145.06511	11.1
145.10146	15.6
147.08061	15.4
147.11688	2.7
149.06017	5.2
149.09642	7.4
154.07896	3.0
155.08554	15.3
156.09436	13.3
157.06520	5.7
157.10132	28.5
158.07430	2.7
159.08087	16.6
159.11687	11.6
161.05995	15.4
161.09598	8.6
163.07532	4.0
163.11240	4.8
165.07112	4.4
166.07845	3.3
167.08543	5.5
168.09407	5.0
169.10155	18.2
170.10944	12.0
171.08064	9.3
171.11711	44.7
173.06047	4.2
173.09660	19.3
173.13286	10.6
175.07590	6.3
175.11188	3.2
177.05499	5.5
177.09189	3.8
179.07088	6.2
179.08482	3.8
180.09395	4.1
181.10179	7.8
183.08165	4.7
183.11716	36.0
184.08812	3.1
184.12390	3.1
185.09674	9.1
185.13260	32.3
186.10393	2.8
187.07541	3.7
187.11200	7.3
189.05446	3.7
189.09193	3.9
191.10695	5.4
193.08598	2.7
193.10146	7.0
195.08028	2.6
195.11723	10.7
196.12326	3.4
197.09593	6.4
197.13332	9.9
198.10313	3.9
199.07500	3.3
199.11171	13.3
201.09096	5.8
201.12761	14.1
203.10614	2.8
206.10918	3.9
207.11740	9.4
208.49986	2.9
209.09645	5.2
209.13324	7.0
211.11212	12.6
213.09167	3.0
213.12741	26.1
215.10587	2.8
217.10199	5.4
217.12268	3.4
219.11824	6.2
220.12555	5.4
221.13292	9.3
223.11195	7.6
223.14874	5.6
225.09207	4.1
225.12778	3.4
227.10585	3.2
229.10234	4.1
229.12192	22.9
230.10905	4.3
231.11748	4.8
231.13831	6.2
232.12608	3.9
233.09766	2.5
233.13405	4.3
234.10309	3.0
234.14043	4.5
235.11200	4.5
235.14925	4.2
237.12860	4.6
241.12286	4.5
243.11746	3.5
243.13893	8.0
244.12433	4.6
245.13220	6.8
245.15445	16.4
246.14072	6.5
247.11064	3.4
247.14905	7.0
248.12122	3.1
249.12805	4.6
249.16495	5.5
253.12219	2.8
255.11655	3.6
257.13388	5.8
258.13980	5.3
259.11240	3.9
259.14789	5.7
260.15805	2.9
261.12723	5.9
261.16470	5.4
263.14310	5.0
269.13278	3.3
270.14072	4.2
273.14810	5.0
274.13550	3.7
275.14392	4.9
275.17905	4.8
277.15860	4.8
285.16583	5.2
287.14267	3.1
289.12241	2.7
289.15976	5.6
291.17368	2.9
297.12698	3.6
301.15845	5.4
303.17242	3.7
305.15582	2.8
313.15793	4.1
315.17493	5.5
317.15500	3.3
319.16794	2.7
329.18973	3.3
331.16779	6.0
333.18536	2.7
341.15384	4.8
343.16916	7.7
345.18677	7.3
347.16409	7.3
349.17953	5.0
351.15884	2.9
355.16946	6.6
359.16370	11.4
360.16791	3.5
361.18106	6.2
363.19794	3.0
365.17398	6.2
369.20651	2.5
371.15952	3.0
373.18069	13.3
377.17535	6.5
379.19028	7.2
383.16617	3.8
389.17459	9.4
391.19034	12.5
395.18573	3.8
401.17554	8.3
403.18875	3.0
405.20538	5.6
407.18091	11.7
409.20084	12.7
415.18872	6.3
419.18692	10.1
421.20126	3.6
423.21509	3.4
433.20001	16.0
437.19745	10.9
451.21121	12.7
469.15128	7.2
469.22253	7.9
482.15970	10.9
483.17056	7.2
493.22180	5.1
495.16260	3.2
496.17526	4.2
497.17892	26.8
498.18842	4.5
505.22217	2.8
509.21863	4.1
511.20609	4.4
529.24268	6.6
537.24799	6.7
555.19043	4.9
644.25140	3.0
657.26740	12.6
675.26605	100.0
676.27032	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	675.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63260	0.7
53.03929	1.3
55.01864	1.0
55.05500	1.9
57.20705	0.8
58.12836	0.8
67.05494	2.6
67.39440	0.8
67.86266	0.8
69.03425	4.5
79.05476	3.0
81.03442	0.9
81.07055	2.8
83.04974	3.7
87.32127	1.0
91.05502	5.6
93.07034	5.1
95.04972	2.9
95.08602	2.1
96.33132	1.0
98.20779	1.5
103.05495	4.2
105.03396	4.7
105.07024	6.8
107.04958	1.1
107.08584	3.3
109.06550	1.4
110.04150	0.7
115.05427	1.3
117.03345	1.0
117.07016	3.9
119.05003	1.6
119.08592	6.2
121.06499	1.7
121.10134	1.4
123.08072	1.5
128.06247	1.7
129.06981	2.4
131.04924	9.7
131.08534	3.9
133.06496	6.6
133.10110	5.1
135.08047	2.3
137.06033	0.8
141.06940	0.9
142.07762	2.0
143.08569	5.4
145.02864	2.6
145.06494	3.0
145.10109	3.9
147.08070	3.9
149.09616	3.4
153.07002	1.2
154.07588	1.0
154.55127	0.8
155.08574	2.2
156.09302	3.9
157.10147	8.2
159.08003	4.1
159.11694	2.1
161.05948	4.4
161.09645	2.8
163.07567	1.8
163.11156	1.5
165.07045	1.1
167.08685	1.0
169.10152	4.3
170.10889	3.5
171.08080	3.4
171.11676	16.7
171.13133	1.0
171.70421	0.9
173.09644	2.8
173.13271	1.7
175.07529	1.6
177.05539	3.2
177.09103	2.0
179.07042	1.8
179.08571	2.0
181.10103	2.7
182.10875	1.0
183.08005	1.6
183.11711	9.6
184.08786	0.9
184.12239	0.9
185.09572	4.2
185.13246	10.0
187.07692	0.9
187.11215	2.5
189.05490	1.5
189.09218	1.6
193.10133	1.9
195.11693	2.8
197.09650	3.3
197.13289	2.6
198.10329	1.2
199.11160	4.3
200.11890	1.4
201.09105	1.4
201.12692	2.3
203.10695	1.1
205.08459	1.1
206.10948	1.0
207.11659	1.6
208.12605	1.1
209.13275	1.9
211.11180	3.1
213.09198	1.3
213.12750	10.8
215.10651	0.9
216.09369	1.2
217.10092	1.1
219.11734	1.8
220.12561	2.0
221.13272	2.4
223.11270	1.9
227.10645	1.1
229.12276	1.4
230.10904	1.3
231.11723	3.1
231.13800	1.5
233.13303	2.8
235.11220	1.4
237.12805	1.4
241.12276	1.8
243.11679	1.8
243.13857	2.8
244.12508	2.0
245.09651	1.0
245.13266	2.5
245.15425	5.5
245.88443	0.9
246.14105	2.2
247.11308	1.0
247.14839	2.6
248.15536	1.0
249.12788	1.2
249.16449	2.0
250.13278	0.9
251.14415	1.4
255.11676	1.4
255.13948	1.7
256.12466	1.7
257.13226	2.3
258.14108	1.1
259.14911	2.8
261.12708	1.7
261.16382	1.0
262.13300	1.1
262.16812	0.9
270.14047	1.3
271.14828	1.0
272.15707	1.3
273.12451	1.0
273.14560	5.1
275.14395	1.6
275.17990	1.6
277.12289	0.8
277.15997	2.4
283.14911	1.1
285.12637	1.6
285.16415	1.9
287.14264	1.5
287.18036	1.6
289.15872	1.1
291.17361	1.5
298.13394	1.8
299.14249	1.2
300.15204	1.2
301.12427	1.1
301.16043	1.6
302.16522	1.0
303.13831	1.3
303.17490	2.6
305.15640	0.8
313.15845	1.6
315.17441	2.3
317.15341	2.3
317.18948	1.1
318.15985	0.9
319.17078	2.2
327.17545	1.4
329.15662	1.2
329.19098	1.1
331.16928	2.6
333.18497	1.7
341.15530	1.1
345.18527	2.5
347.16321	2.0
347.20218	1.5
349.17926	1.6
355.16721	1.3
357.18555	1.8
359.16559	2.0
360.17065	1.1
361.17935	2.1
363.19406	1.7
365.17773	1.4
373.17981	3.6
375.19675	2.0
377.17517	2.9
379.15210	1.3
389.17200	1.5
389.21579	1.1
391.19113	3.7
393.20703	1.8
395.18408	1.9
401.17535	3.3
405.20697	2.5
407.18619	2.1
409.20291	2.5
415.19058	1.3
419.18423	7.2
433.20114	3.1
435.21887	1.2
437.19669	3.7
439.14587	1.7
439.20709	1.0
445.18823	0.9
451.20972	6.5
452.21664	1.0
457.19800	1.2
467.17648	1.1
469.15527	4.5
469.21335	4.6
470.15308	1.8
481.15164	2.3
482.15848	6.5
483.16895	6.4
484.17468	1.3
485.18298	1.2
495.16724	3.8
496.17563	4.7
497.18045	27.5
498.18796	2.6
499.19800	1.0
510.18820	1.5
511.19388	4.4
528.16681	1.2
529.24536	1.6
537.25409	0.9
541.17200	1.1
542.18182	1.8
555.18707	5.3
556.19623	3.4
557.20605	2.8
643.24066	7.3
644.24768	5.4
645.23621	1.0
657.25757	5.4
660.24066	1.2
675.26556	100.0
676.26843	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	675.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87943	2.5
53.03943	5.1
54.30645	2.6
55.05511	88.5
56.33578	2.7
61.03537	3.6
67.05501	9.6
69.03437	5.5
69.07050	3.9
69.88441	9.2
69.88844	7.2
72.08158	3.4
79.05495	13.4
81.07057	21.3
82.06578	9.3
83.04984	100.0
85.02920	4.4
91.05482	27.1
93.07054	19.7
94.49992	2.9
95.04976	8.7
95.08624	21.0
97.02905	3.8
99.04456	3.1
100.07602	17.1
103.05428	7.1
105.07028	35.4
107.04953	6.0
107.08567	15.5
109.06505	11.6
109.10155	7.1
111.04469	2.8
115.05416	6.3
117.07020	12.0
119.04970	4.6
119.08585	28.8
121.05658	3.4
121.06508	11.3
121.10159	7.1
123.04470	4.1
123.08098	3.9
125.06037	5.0
128.06230	8.0
129.07004	9.7
131.04924	9.0
131.08562	15.7
133.06525	17.7
133.10115	19.4
135.08043	11.3
137.05989	5.9
141.06992	5.3
142.07811	9.4
143.08543	17.2
145.06512	11.1
145.10172	19.7
147.08069	20.1
147.11684	5.8
149.05939	4.1
149.09628	11.7
151.07643	3.9
151.85394	3.3
155.08572	16.1
156.09381	16.6
157.06514	4.6
157.10127	27.0
159.08063	19.2
159.11697	9.0
160.09651	7.1
161.06013	9.8
161.09627	12.3
163.07539	6.6
165.09169	4.7
167.08527	5.6
168.09422	6.4
169.10126	23.6
170.10924	16.4
171.08047	8.9
171.11699	53.5
173.06046	5.0
173.09619	18.4
173.13257	3.3
175.07593	4.8
177.09128	4.2
179.07098	4.1
179.08559	6.9
180.09407	5.4
181.10172	9.6
183.08055	6.5
183.11708	41.7
185.09692	12.2
185.13264	29.5
187.07619	4.4
187.11176	12.1
189.09099	3.3
191.08572	3.6
191.10747	5.4
192.09395	4.7
193.10139	13.4
194.11023	6.8
195.11693	16.1
197.09612	7.6
197.13257	13.6
198.10356	5.3
199.07500	4.3
199.11131	18.3
200.11964	5.3
201.09135	7.3
201.12704	4.4
203.08717	3.7
203.10655	4.5
205.10246	4.6
206.10921	4.2
207.11729	14.6
208.12399	4.1
209.09619	7.1
209.13248	11.0
211.11191	13.9
213.09142	5.8
213.12752	30.0
215.10725	12.2
216.09317	3.7
217.08493	6.9
217.10320	5.1
217.12184	7.0
218.10962	6.7
219.11694	9.0
220.12544	10.7
221.13277	15.9
223.11234	10.2
223.14728	4.5
225.12735	3.3
229.10252	5.0
229.12192	19.1
230.10901	5.2
231.11710	8.0
231.13811	24.7
232.12482	6.5
233.09612	5.3
233.13324	10.5
234.13957	5.8
235.11218	10.1
235.14822	9.4
237.12741	8.3
237.16405	5.8
241.12254	9.6
243.09833	4.1
243.11890	7.2
244.12456	5.5
245.13393	17.9
246.14116	9.3
247.11252	6.8
247.14818	11.9
248.12032	5.3
248.15614	5.2
249.12851	7.3
249.16411	9.6
251.14355	7.3
251.17950	7.6
255.11829	6.0
256.12585	5.2
257.13431	6.2
258.14105	5.1
259.12970	21.8
260.12012	4.4
260.15689	9.2
261.12933	7.0
261.16403	22.4
262.13712	3.1
262.17072	4.7
263.14380	8.5
263.18054	4.8
267.13828	4.0
270.14017	5.2
271.14862	7.6
273.12720	7.3
273.16489	5.5
274.13562	5.9
275.10266	3.4
275.14587	7.7
275.18002	12.2
277.15906	7.1
279.17218	3.3
281.15323	3.8
285.16385	9.3
287.14255	8.7
289.15894	9.2
291.17285	7.4
295.16913	4.6
298.13364	3.9
299.10803	5.3
301.15823	6.5
302.16696	4.8
303.17456	12.6
307.16962	5.8
307.20374	3.2
309.18454	8.8
311.20090	6.4
313.15778	7.2
315.14145	3.5
315.17523	4.7
317.15274	5.7
317.18961	5.1
319.16727	7.0
321.18442	22.0
329.15225	5.6
331.16852	9.4
337.17917	11.4
339.19556	17.3
341.15302	3.5
343.16953	5.1
345.18546	8.4
347.16293	5.6
349.17929	9.9
355.16684	5.3
359.16293	12.5
360.17108	4.2
361.17929	6.4
363.19650	4.5
365.17438	4.2
367.18790	6.3
373.18182	16.7
377.17496	20.7
379.19092	6.5
381.20517	5.3
391.18936	23.0
395.18546	13.0
397.20078	10.6
401.17502	13.2
407.18500	5.9
409.20126	17.0
419.18536	33.2
425.19324	3.7
427.21014	6.0
437.19598	57.2
455.20407	25.1
479.20654	5.1
497.21649	15.7
515.22754	27.8
539.22839	4.9
675.20319	11.5
676.36261	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	675.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11448	5.8
53.03945	7.9
55.01880	7.9
55.05501	24.5
62.78650	6.6
64.30463	5.7
67.05496	20.3
69.03435	39.6
69.07056	10.8
79.05485	19.7
81.07046	36.6
83.04987	33.9
91.05504	40.9
93.07067	36.3
95.04975	15.9
95.08597	26.7
95.35531	5.7
98.20238	5.8
98.20798	16.1
103.05479	21.6
105.03343	11.6
105.07050	60.5
107.04951	12.7
107.08601	23.2
109.06528	18.1
115.05442	13.2
117.07015	23.4
119.04950	8.3
119.08598	58.4
121.06495	16.1
121.10145	10.1
123.04425	6.9
123.08056	6.1
127.00346	6.8
128.06256	10.5
129.07086	15.0
131.04922	27.3
131.08569	21.7
133.06528	34.8
133.07390	9.5
133.10143	31.0
135.08041	16.8
141.06935	7.4
142.07800	15.6
143.08537	37.6
145.06453	24.5
145.10095	32.1
147.08063	41.7
147.11728	7.0
149.06044	10.7
149.09612	11.8
151.07568	11.4
151.20773	6.6
153.06989	6.1
155.08566	19.1
156.09431	31.0
157.10159	61.4
159.08066	23.5
159.11705	17.1
161.05983	20.6
161.09625	22.6
163.07578	10.0
163.11143	10.1
165.07016	13.8
167.08498	6.2
169.10132	51.9
170.10913	25.6
171.08115	19.0
171.11691	100.0
172.08705	6.3
173.06036	10.6
173.09653	34.7
173.13246	12.1
175.07556	10.0
175.11263	13.4
177.05508	6.9
177.09064	10.4
179.08594	8.6
180.09245	8.4
181.08597	6.8
181.10130	20.3
182.10855	8.4
183.08078	9.2
183.11708	77.6
184.12312	6.9
185.09613	25.8
185.13261	66.5
187.11227	15.2
189.05487	8.6
191.10803	7.8
193.10210	13.6
194.10951	8.1
195.11784	31.8
197.09666	29.0
197.13329	19.7
199.11209	35.7
200.12038	7.7
201.09088	13.2
201.12877	14.9
205.10152	10.1
206.11066	9.5
207.11725	26.3
208.12579	8.5
209.09682	12.5
209.13280	20.5
211.11209	20.7
213.12790	59.4
217.10191	16.4
217.12323	8.9
218.10921	8.6
219.11778	14.2
220.12492	15.1
221.13271	31.8
223.11169	21.3
223.14850	13.9
227.10719	10.0
229.12305	11.9
230.10847	9.6
231.11717	28.1
231.13779	16.8
232.12463	11.9
233.09586	12.0
233.13193	15.6
234.14005	8.9
235.11133	15.8
235.14857	25.9
237.12724	13.9
237.16379	7.9
239.14391	8.7
241.12201	14.5
243.13799	25.2
244.12494	18.0
245.13223	19.3
245.15469	30.3
246.14105	21.6
247.11176	10.4
247.14926	18.1
249.12788	10.5
249.16356	21.6
251.14307	10.9
256.12442	6.5
257.13348	9.9
257.15619	10.3
258.13986	14.0
259.11084	14.7
259.15042	14.5
260.15622	17.5
261.12650	14.4
261.16507	38.7
263.14203	11.6
263.18121	10.4
269.13220	10.9
270.14053	8.5
271.10843	7.4
271.14874	12.9
273.12503	13.9
273.14862	15.6
273.16605	8.2
275.14316	18.4
275.17865	17.9
277.12564	6.5
277.15912	11.1
279.17416	8.0
285.12827	10.4
285.16263	13.8
286.13593	8.4
287.14270	19.9
288.14874	12.1
289.15692	19.0
291.17291	14.8
293.18878	9.7
298.13577	11.9
299.14163	9.8
301.15900	20.9
303.17395	25.8
312.14984	10.9
313.15787	21.7
315.13773	9.4
315.17371	8.7
317.15326	16.2
317.18866	8.0
319.16876	13.6
321.18546	17.6
327.17432	15.8
329.15402	9.9
331.16833	19.8
333.18033	6.6
335.16351	9.3
335.20016	13.0
343.16888	13.5
345.18512	15.6
349.17987	11.5
351.19598	12.5
353.20847	12.3
353.24725	7.1
355.16803	15.9
359.16400	13.4
361.17899	14.3
363.19528	9.3
363.79599	6.9
365.17386	7.1
367.19089	8.5
373.18011	25.2
377.17401	19.7
387.19269	11.2
391.19046	37.8
397.84195	7.0
401.17181	11.0
403.19141	8.6
405.20755	15.0
407.18030	10.3
409.20108	22.3
411.21658	12.9
419.18616	35.6
433.20200	22.6
437.19489	53.4
451.21292	35.1
455.20334	7.6
469.22180	40.0
497.21579	13.2
529.24097	26.7
537.25037	8.7
675.24170	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	675.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.2
55.01862	17.4
55.05521	22.8
57.06830	3.8
57.07079	53.7
60.02676	3.6
65.03929	5.0
67.05505	20.2
69.03422	6.4
69.07057	4.8
71.55312	4.2
74.09707	12.5
79.05496	31.9
81.03422	17.5
81.07048	15.6
83.04989	35.2
85.06551	6.4
91.05479	42.2
92.66077	3.8
93.07021	21.7
95.01329	4.7
95.04981	43.6
95.08617	12.5
97.06513	4.3
103.05485	36.7
105.03396	40.3
105.06388	6.2
105.07036	73.8
107.04956	11.3
107.08577	14.7
108.05722	3.7
109.06537	18.5
111.04430	6.3
115.05452	19.3
117.07013	29.4
119.04939	9.6
119.08572	30.6
121.02814	5.0
121.06496	10.2
123.04427	8.3
125.05988	6.2
128.06204	15.5
129.06969	19.5
130.07793	3.6
131.04932	62.4
131.08566	25.6
133.05591	6.7
133.06497	56.5
133.10127	36.8
135.04404	5.1
135.08043	17.6
137.05962	6.9
141.07007	11.8
142.07782	21.3
143.08553	33.8
145.06496	29.8
145.10129	23.2
147.08044	19.3
147.11667	6.5
148.08347	3.8
149.05983	7.1
149.09612	13.9
151.07565	7.4
153.05545	4.2
153.06978	5.7
154.07724	6.6
155.08545	21.6
156.09343	22.5
157.06485	10.0
157.10117	46.0
158.07278	5.8
159.08064	27.1
159.11723	19.7
161.04643	5.1
161.05983	100.0
161.09607	17.1
162.06726	4.9
163.07530	40.2
163.11258	5.2
165.06990	13.6
166.07736	5.5
167.08546	9.5
169.06456	7.4
169.10104	28.5
170.10907	20.0
171.08032	22.4
171.11697	61.8
173.05983	15.0
173.09596	26.2
173.13284	5.3
175.07549	13.2
175.11177	9.1
177.09117	7.0
178.07771	5.4
179.07043	9.8
179.08565	10.4
180.09314	5.0
181.10097	15.7
182.07295	6.2
182.10864	6.2
183.08130	20.4
183.11682	54.0
184.08830	9.6
185.06023	6.3
185.09631	33.5
185.13263	37.6
186.10347	4.8
187.07562	14.6
187.11249	17.3
189.05475	11.3
189.09111	15.7
191.07069	4.5
191.10675	4.0
192.09381	5.6
193.10118	6.9
195.08051	10.9
195.11768	18.0
196.08797	5.3
197.09610	38.6
197.13260	15.5
198.10388	6.5
199.07581	10.8
199.11185	36.3
199.78781	3.6
200.11923	8.1
201.09099	15.6
201.12732	12.6
203.07025	5.4
205.08560	7.8
206.10904	6.2
207.08144	5.4
207.11649	10.4
208.08862	5.6
208.12329	6.0
209.09616	14.0
209.13246	8.9
211.07550	12.4
211.11133	20.1
213.09297	23.4
213.12740	83.4
215.06940	5.8
215.08842	3.8
215.10709	14.7
217.08476	7.1
217.10287	8.0
217.12187	7.1
218.10579	5.3
219.08186	4.8
219.11703	5.8
220.12549	6.1
221.09653	7.2
221.13219	9.9
223.07472	6.0
223.11212	13.3
225.09125	54.2
225.12668	6.9
227.10544	17.3
229.08545	12.0
229.12236	8.0
231.11853	7.5
231.13828	5.6
233.13403	6.3
234.14079	7.0
235.07550	4.9
235.11090	4.9
235.14769	6.3
237.09001	8.8
237.12778	7.6
239.10707	8.7
241.08395	21.2
241.12236	13.9
243.10155	15.5
243.13866	8.7
244.12404	6.2
245.07953	4.9
245.13216	12.1
245.15442	16.1
247.14874	8.7
249.12900	4.9
249.16493	5.3
251.06773	6.3
251.10765	6.5
251.14241	4.2
253.12253	6.8
255.09981	7.6
255.13910	7.7
256.12387	3.9
257.08057	21.6
257.11496	5.5
258.13983	4.7
259.09573	10.1
259.14899	5.5
261.16412	5.4
263.14233	3.8
265.15536	4.2
267.10095	4.8
268.12335	5.5
271.14697	5.6
273.12405	3.9
273.14847	57.2
275.12802	14.7
282.14157	4.7
283.09714	10.4
285.10974	24.9
300.15018	7.1
301.10687	5.3
301.15649	5.6
303.12296	10.9
303.17233	6.3
305.15384	5.6
311.14148	5.4
313.15735	6.9
315.17474	8.9
317.15207	5.1
319.16992	4.7
329.15433	9.4
331.16925	11.3
333.14813	5.4
333.18466	10.0
341.15399	5.0
343.13135	5.9
343.16968	14.5
347.16373	7.1
352.11084	3.7
354.01764	4.3
357.14615	7.9
357.18539	21.1
359.12384	4.1
361.17874	16.0
367.13272	6.0
371.12646	6.3
375.15326	7.9
375.19565	18.1
377.17374	5.9
381.22733	4.2
385.14148	9.4
385.18414	7.5
387.18723	5.7
389.17450	6.8
395.18448	7.2
401.13611	4.6
403.14880	5.7
403.18777	12.5
405.20819	5.1
407.22369	6.3
413.13895	4.3
415.65540	4.0
417.15631	4.6
417.20563	11.7
421.16016	6.8
431.14795	6.5
433.16324	4.6
435.21957	26.3
445.16849	11.8
447.20139	12.3
449.15582	5.8
451.17560	14.7
463.17444	33.0
481.18564	28.1
533.22760	4.1
537.24359	7.6
547.23016	7.1
553.24097	16.0
565.24365	33.3
583.25323	29.8
607.25439	6.8
625.26190	13.9
643.27179	5.0
657.29950	6.2
686.46454	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	675.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.5
55.01868	20.4
55.05503	9.4
55.57357	5.8
56.47548	5.5
56.74482	5.7
57.07079	81.7
58.15902	5.9
65.03929	6.9
67.05497	25.7
67.33891	6.0
69.03432	9.8
69.32587	25.7
69.33021	24.2
72.08159	62.5
73.08475	7.9
79.05508	30.5
81.03416	34.8
81.07071	17.5
85.06539	6.8
89.06029	5.5
91.05478	52.7
93.07026	19.5
95.01369	9.4
95.04967	63.7
95.08578	12.6
103.05458	57.3
105.03387	44.4
105.07024	70.3
107.04950	24.8
107.08588	13.0
109.06551	13.9
115.05457	23.9
117.07016	25.3
119.04929	10.1
119.08582	35.0
121.06539	14.6
123.08016	8.1
125.05977	12.8
127.03998	5.6
128.06232	14.9
129.07005	20.7
131.04930	100.0
131.08546	29.0
133.06487	50.5
133.10130	11.4
135.04419	13.0
135.08052	25.4
137.05949	9.3
141.06985	17.2
142.07768	22.9
142.39548	5.7
143.08636	28.7
145.06450	31.5
145.10143	17.0
147.04436	8.4
147.08061	44.5
149.06009	14.4
151.07553	11.7
153.06995	8.2
154.07747	10.8
155.08539	20.6
156.09425	13.2
157.06454	15.6
157.10121	26.4
159.08000	34.8
159.11711	11.6
161.05974	95.0
161.09651	22.2
163.07570	43.9
165.07022	9.0
167.08559	16.2
169.06502	14.3
169.10124	30.0
170.10870	11.3
171.08025	28.4
171.11684	31.5
173.06006	13.8
173.09645	21.6
173.13214	6.7
175.07585	17.4
177.09145	7.3
179.07069	11.4
179.08559	21.2
181.10103	14.3
182.07298	11.3
183.08063	22.3
183.11662	16.9
184.08841	8.8
185.06009	17.4
185.08134	6.2
185.09592	30.9
185.13210	8.1
187.07535	24.4
187.11159	15.1
189.09070	7.4
195.08023	14.9
195.11674	18.4
196.08942	10.2
197.09601	35.9
197.13298	7.1
199.07529	17.0
199.11154	29.6
201.09071	12.4
201.12692	6.4
203.06998	9.7
203.08705	9.7
205.08420	8.5
207.08173	9.6
207.11714	11.2
209.09619	20.4
209.13258	7.2
211.07613	11.0
211.11160	9.0
211.14973	6.2
213.09132	19.4
215.10710	16.0
217.08461	15.0
218.10901	7.0
219.11815	7.7
221.09627	8.0
221.13284	9.5
223.07552	10.4
223.11174	14.4
225.09067	57.1
225.12595	8.1
227.10652	16.2
229.08484	7.0
229.12250	11.0
233.07933	7.9
233.13235	7.7
235.07497	7.1
235.11258	9.3
237.12794	9.0
239.10692	14.9
241.08574	31.1
243.10011	13.8
245.08067	10.6
247.09723	24.7
249.12865	8.6
249.16397	6.7
253.08385	9.5
255.10188	14.6
256.12546	8.3
257.07867	36.6
257.11664	10.0
259.09641	16.0
263.10550	6.9
283.09845	8.8
285.11121	31.2
299.10632	7.1
299.13995	8.4
301.10904	10.7
301.15689	6.4
303.12714	10.5
311.14178	6.2
313.15802	12.9
321.18457	6.4
327.13776	7.7
329.15222	13.5
339.13635	8.6
341.15240	8.1
343.13135	6.5
343.20618	38.1
361.21585	12.8
367.13245	15.0
371.20059	23.0
373.13950	8.1
375.15747	9.6
385.14276	19.3
387.17749	7.1
389.21021	17.9
401.13715	15.0
403.15182	31.5
407.21872	7.4
419.14850	10.9
421.16446	13.7
431.15097	16.2
431.21353	6.9
433.16544	9.5
435.17941	11.9
445.16351	19.1
447.19971	13.3
449.16193	11.1
449.23468	10.0
451.17380	25.2
463.17603	59.0
481.18332	31.8
505.18927	7.1
511.18570	7.6
523.19489	23.6
541.20709	27.0
547.22791	10.5
553.24268	17.1
565.24280	38.1
583.25159	25.6
625.26813	15.5
643.26837	12.5
675.30621	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	675.3018
Annotation	Trichilin A
Peak:m/z	Relative Intensity
52.58350	2.5
53.03946	6.7
55.01883	6.9
55.05514	30.3
55.26819	2.8
56.36662	2.5
60.00007	2.8
62.98825	2.6
63.27187	3.3
67.05499	8.7
68.99778	5.5
69.03436	10.7
69.07090	2.7
70.06586	3.9
71.55668	3.1
73.27988	2.3
79.05507	11.4
81.03428	4.8
81.07066	12.7
83.04989	40.4
83.63853	3.0
85.02893	3.9
91.05494	21.1
93.07050	12.0
95.04983	12.2
95.08624	8.2
97.02901	3.4
97.06528	2.7
103.05481	59.1
105.03400	15.8
105.07035	32.3
107.02476	2.8
107.08605	12.4
109.06544	7.8
109.10179	6.3
109.20172	2.9
115.05465	8.2
116.06359	3.0
117.07077	16.7
119.08591	37.8
121.06523	9.1
121.10172	5.9
123.08047	5.9
125.06048	4.7
128.06247	7.5
129.07022	9.9
131.04936	100.0
131.08583	21.2
133.06517	14.0
133.10167	17.1
135.08064	7.6
141.07037	4.8
142.07816	11.2
143.08534	25.2
145.06503	10.0
145.10150	18.2
147.08061	13.1
149.06000	10.2
149.09657	15.0
153.07018	3.6
155.08586	11.8
156.09351	12.6
157.10127	37.8
158.10722	3.7
159.08063	17.9
159.11685	28.8
161.05969	18.0
161.09636	11.4
163.07552	15.2
163.11241	3.8
165.07040	4.2
165.09180	6.3
166.07983	2.8
167.08577	6.2
168.09337	5.1
169.06448	3.3
169.10144	26.4
170.10841	9.6
171.08060	7.1
171.11717	45.8
173.06010	4.3
173.09656	10.5
173.13269	10.6
175.07576	11.1
177.05540	8.6
177.09088	20.6
179.08577	6.9
181.10149	11.6
183.08112	5.3
183.11729	56.3
184.08827	3.3
184.12262	3.5
185.09682	11.5
185.13283	23.6
187.07539	5.6
187.11217	15.3
189.05460	10.1
189.09138	7.1
191.07100	8.4
191.10680	4.7
193.10127	8.7
195.11740	9.9
197.09663	11.5
197.13263	10.2
199.07532	6.0
199.11188	14.4
201.09027	4.2
201.12802	11.0
203.07022	4.9
205.08548	4.1
205.10249	4.5
206.10966	4.0
207.11792	10.9
209.09741	6.5
209.13277	8.6
211.07613	3.6
211.11198	13.3
213.09239	6.4
213.12761	15.4
214.42586	2.8
215.07076	3.2
215.10709	7.1
217.10219	3.5
217.12238	4.0
218.10953	3.6
219.11766	6.6
219.13721	3.9
220.12541	5.9
221.13280	12.6
223.11253	6.9
223.14864	4.1
225.09166	4.4
225.12831	3.0
229.12256	12.1
230.10941	3.8
231.11852	5.7
231.13878	12.2
232.12425	4.5
233.13322	5.2
233.15422	4.4
235.14786	7.6
237.12744	3.8
241.12404	3.9
243.11725	5.6
243.13835	10.2
244.12486	3.7
245.13223	10.8
245.15506	9.6
246.13911	9.0
247.14978	6.5
253.12320	5.0
254.10878	3.5
255.11705	3.6
256.12543	4.2
257.13254	10.3
258.14087	10.1
259.14883	9.2
260.11691	5.7
260.15631	3.4
261.12680	5.2
261.15015	5.0
265.12250	4.7
269.13174	4.6
271.14908	8.0
272.38733	3.5
273.12726	6.8
273.16507	6.8
275.14673	3.0
275.17740	4.0
277.15854	3.2
283.14813	5.7
284.11905	3.0
285.12912	6.4
285.16492	10.1
286.13629	3.8
287.18021	3.9
288.15256	3.4
289.12183	4.5
289.15814	3.6
299.14383	5.3
301.12265	5.1
301.15887	6.9
303.13925	6.0
303.17099	5.9
313.15927	5.9
315.17349	5.4
317.15314	7.6
319.13330	3.7
319.16937	6.1
327.13629	4.5
329.15384	10.0
331.16937	12.2
335.20020	4.0
337.18198	3.2
340.15457	5.6
341.15668	3.3
343.17029	9.3
345.14731	7.1
345.18515	8.7
347.16431	15.1
349.17990	3.9
359.16251	14.8
361.17905	11.3
371.16364	3.9
373.18082	7.9
375.19855	4.8
377.17447	10.9
379.19028	5.3
387.15970	6.5
389.17572	7.2
391.19162	11.1
393.20682	4.5
401.17569	11.4
403.19110	8.3
405.20963	6.0
409.20190	6.0
419.18576	17.9
421.20169	15.8
433.20447	6.1
435.22006	4.7
437.19913	11.8
447.17950	6.0
449.19547	6.8
451.21259	13.1
453.22842	3.8
455.20612	5.4
465.19055	6.9
469.22241	6.8
479.20856	5.4
483.20270	5.3
485.21750	3.2
497.21732	13.0
575.25781	5.7
657.26978	3.1
675.29163	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	675.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58350	2.5
53.03946	6.7
55.01883	6.9
55.05514	30.3
55.26819	2.8
56.36662	2.5
60.00007	2.8
62.98825	2.6
63.27187	3.3
67.05499	8.7
68.99778	5.5
69.03436	10.7
69.07090	2.7
70.06586	3.9
71.55668	3.1
73.27988	2.3
79.05507	11.4
81.03428	4.8
81.07066	12.7
83.04989	40.4
83.63853	3.0
85.02893	3.9
91.05494	21.1
93.07050	12.0
95.04983	12.2
95.08624	8.2
97.02901	3.4
97.06528	2.7
103.05481	59.1
105.03400	15.8
105.07035	32.3
107.02476	2.8
107.08605	12.4
109.06544	7.8
109.10179	6.3
109.20172	2.9
115.05465	8.2
116.06359	3.0
117.07077	16.7
119.08591	37.8
121.06523	9.1
121.10172	5.9
123.08047	5.9
125.06048	4.7
128.06247	7.5
129.07022	9.9
131.04936	100.0
131.08583	21.2
133.06517	14.0
133.10167	17.1
135.08064	7.6
141.07037	4.8
142.07816	11.2
143.08534	25.2
145.06503	10.0
145.10150	18.2
147.08061	13.1
149.06000	10.2
149.09657	15.0
153.07018	3.6
155.08586	11.8
156.09351	12.6
157.10127	37.8
158.10722	3.7
159.08063	17.9
159.11685	28.8
161.05969	18.0
161.09636	11.4
163.07552	15.2
163.11241	3.8
165.07040	4.2
165.09180	6.3
166.07983	2.8
167.08577	6.2
168.09337	5.1
169.06448	3.3
169.10144	26.4
170.10841	9.6
171.08060	7.1
171.11717	45.8
173.06010	4.3
173.09656	10.5
173.13269	10.6
175.07576	11.1
177.05540	8.6
177.09088	20.6
179.08577	6.9
181.10149	11.6
183.08112	5.3
183.11729	56.3
184.08827	3.3
184.12262	3.5
185.09682	11.5
185.13283	23.6
187.07539	5.6
187.11217	15.3
189.05460	10.1
189.09138	7.1
191.07100	8.4
191.10680	4.7
193.10127	8.7
195.11740	9.9
197.09663	11.5
197.13263	10.2
199.07532	6.0
199.11188	14.4
201.09027	4.2
201.12802	11.0
203.07022	4.9
205.08548	4.1
205.10249	4.5
206.10966	4.0
207.11792	10.9
209.09741	6.5
209.13277	8.6
211.07613	3.6
211.11198	13.3
213.09239	6.4
213.12761	15.4
214.42586	2.8
215.07076	3.2
215.10709	7.1
217.10219	3.5
217.12238	4.0
218.10953	3.6
219.11766	6.6
219.13721	3.9
220.12541	5.9
221.13280	12.6
223.11253	6.9
223.14864	4.1
225.09166	4.4
225.12831	3.0
229.12256	12.1
230.10941	3.8
231.11852	5.7
231.13878	12.2
232.12425	4.5
233.13322	5.2
233.15422	4.4
235.14786	7.6
237.12744	3.8
241.12404	3.9
243.11725	5.6
243.13835	10.2
244.12486	3.7
245.13223	10.8
245.15506	9.6
246.13911	9.0
247.14978	6.5
253.12320	5.0
254.10878	3.5
255.11705	3.6
256.12543	4.2
257.13254	10.3
258.14087	10.1
259.14883	9.2
260.11691	5.7
260.15631	3.4
261.12680	5.2
261.15015	5.0
265.12250	4.7
269.13174	4.6
271.14908	8.0
272.38733	3.5
273.12726	6.8
273.16507	6.8
275.14673	3.0
275.17740	4.0
277.15854	3.2
283.14813	5.7
284.11905	3.0
285.12912	6.4
285.16492	10.1
286.13629	3.8
287.18021	3.9
288.15256	3.4
289.12183	4.5
289.15814	3.6
299.14383	5.3
301.12265	5.1
301.15887	6.9
303.13925	6.0
303.17099	5.9
313.15927	5.9
315.17349	5.4
317.15314	7.6
319.13330	3.7
319.16937	6.1
327.13629	4.5
329.15384	10.0
331.16937	12.2
335.20020	4.0
337.18198	3.2
340.15457	5.6
341.15668	3.3
343.17029	9.3
345.14731	7.1
345.18515	8.7
347.16431	15.1
349.17990	3.9
359.16251	14.8
361.17905	11.3
371.16364	3.9
373.18082	7.9
375.19855	4.8
377.17447	10.9
379.19028	5.3
387.15970	6.5
389.17572	7.2
391.19162	11.1
393.20682	4.5
401.17569	11.4
403.19110	8.3
405.20963	6.0
409.20190	6.0
419.18576	17.9
421.20169	15.8
433.20447	6.1
435.22006	4.7
437.19913	11.8
447.17950	6.0
449.19547	6.8
451.21259	13.1
453.22842	3.8
455.20612	5.4
465.19055	6.9
469.22241	6.8
479.20856	5.4
483.20270	5.3
485.21750	3.2
497.21732	13.0
575.25781	5.7
657.26978	3.1
675.29163	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	675.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.2
55.01862	17.4
55.05521	22.8
57.06830	3.8
57.07079	53.7
60.02676	3.6
65.03929	5.0
67.05505	20.2
69.03422	6.4
69.07057	4.8
71.55312	4.2
74.09707	12.5
79.05496	31.9
81.03422	17.5
81.07048	15.6
83.04989	35.2
85.06551	6.4
91.05479	42.2
92.66077	3.8
93.07021	21.7
95.01329	4.7
95.04981	43.6
95.08617	12.5
97.06513	4.3
103.05485	36.7
105.03396	40.3
105.06388	6.2
105.07036	73.8
107.04956	11.3
107.08577	14.7
108.05722	3.7
109.06537	18.5
111.04430	6.3
115.05452	19.3
117.07013	29.4
119.04939	9.6
119.08572	30.6
121.02814	5.0
121.06496	10.2
123.04427	8.3
125.05988	6.2
128.06204	15.5
129.06969	19.5
130.07793	3.6
131.04932	62.4
131.08566	25.6
133.05591	6.7
133.06497	56.5
133.10127	36.8
135.04404	5.1
135.08043	17.6
137.05962	6.9
141.07007	11.8
142.07782	21.3
143.08553	33.8
145.06496	29.8
145.10129	23.2
147.08044	19.3
147.11667	6.5
148.08347	3.8
149.05983	7.1
149.09612	13.9
151.07565	7.4
153.05545	4.2
153.06978	5.7
154.07724	6.6
155.08545	21.6
156.09343	22.5
157.06485	10.0
157.10117	46.0
158.07278	5.8
159.08064	27.1
159.11723	19.7
161.04643	5.1
161.05983	100.0
161.09607	17.1
162.06726	4.9
163.07530	40.2
163.11258	5.2
165.06990	13.6
166.07736	5.5
167.08546	9.5
169.06456	7.4
169.10104	28.5
170.10907	20.0
171.08032	22.4
171.11697	61.8
173.05983	15.0
173.09596	26.2
173.13284	5.3
175.07549	13.2
175.11177	9.1
177.09117	7.0
178.07771	5.4
179.07043	9.8
179.08565	10.4
180.09314	5.0
181.10097	15.7
182.07295	6.2
182.10864	6.2
183.08130	20.4
183.11682	54.0
184.08830	9.6
185.06023	6.3
185.09631	33.5
185.13263	37.6
186.10347	4.8
187.07562	14.6
187.11249	17.3
189.05475	11.3
189.09111	15.7
191.07069	4.5
191.10675	4.0
192.09381	5.6
193.10118	6.9
195.08051	10.9
195.11768	18.0
196.08797	5.3
197.09610	38.6
197.13260	15.5
198.10388	6.5
199.07581	10.8
199.11185	36.3
199.78781	3.6
200.11923	8.1
201.09099	15.6
201.12732	12.6
203.07025	5.4
205.08560	7.8
206.10904	6.2
207.08144	5.4
207.11649	10.4
208.08862	5.6
208.12329	6.0
209.09616	14.0
209.13246	8.9
211.07550	12.4
211.11133	20.1
213.09297	23.4
213.12740	83.4
215.06940	5.8
215.08842	3.8
215.10709	14.7
217.08476	7.1
217.10287	8.0
217.12187	7.1
218.10579	5.3
219.08186	4.8
219.11703	5.8
220.12549	6.1
221.09653	7.2
221.13219	9.9
223.07472	6.0
223.11212	13.3
225.09125	54.2
225.12668	6.9
227.10544	17.3
229.08545	12.0
229.12236	8.0
231.11853	7.5
231.13828	5.6
233.13403	6.3
234.14079	7.0
235.07550	4.9
235.11090	4.9
235.14769	6.3
237.09001	8.8
237.12778	7.6
239.10707	8.7
241.08395	21.2
241.12236	13.9
243.10155	15.5
243.13866	8.7
244.12404	6.2
245.07953	4.9
245.13216	12.1
245.15442	16.1
247.14874	8.7
249.12900	4.9
249.16493	5.3
251.06773	6.3
251.10765	6.5
251.14241	4.2
253.12253	6.8
255.09981	7.6
255.13910	7.7
256.12387	3.9
257.08057	21.6
257.11496	5.5
258.13983	4.7
259.09573	10.1
259.14899	5.5
261.16412	5.4
263.14233	3.8
265.15536	4.2
267.10095	4.8
268.12335	5.5
271.14697	5.6
273.12405	3.9
273.14847	57.2
275.12802	14.7
282.14157	4.7
283.09714	10.4
285.10974	24.9
300.15018	7.1
301.10687	5.3
301.15649	5.6
303.12296	10.9
303.17233	6.3
305.15384	5.6
311.14148	5.4
313.15735	6.9
315.17474	8.9
317.15207	5.1
319.16992	4.7
329.15433	9.4
331.16925	11.3
333.14813	5.4
333.18466	10.0
341.15399	5.0
343.13135	5.9
343.16968	14.5
347.16373	7.1
352.11084	3.7
354.01764	4.3
357.14615	7.9
357.18539	21.1
359.12384	4.1
361.17874	16.0
367.13272	6.0
371.12646	6.3
375.15326	7.9
375.19565	18.1
377.17374	5.9
381.22733	4.2
385.14148	9.4
385.18414	7.5
387.18723	5.7
389.17450	6.8
395.18448	7.2
401.13611	4.6
403.14880	5.7
403.18777	12.5
405.20819	5.1
407.22369	6.3
413.13895	4.3
415.65540	4.0
417.15631	4.6
417.20563	11.7
421.16016	6.8
431.14795	6.5
433.16324	4.6
435.21957	26.3
445.16849	11.8
447.20139	12.3
449.15582	5.8
451.17560	14.7
463.17444	33.0
481.18564	28.1
533.22760	4.1
537.24359	7.6
547.23016	7.1
553.24097	16.0
565.24365	33.3
583.25323	29.8
607.25439	6.8
625.26190	13.9
643.27179	5.0
657.29950	6.2
686.46454	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	675.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.4
51.02375	1.0
53.03938	2.0
55.01876	2.4
55.05499	1.1
57.03439	0.6
59.03872	0.5
59.04985	0.4
65.03954	0.7
67.05505	1.4
69.03424	1.4
69.07081	2.3
71.04987	0.6
77.03932	0.8
79.05488	4.1
81.03423	2.0
81.07048	1.6
83.01329	1.8
83.04990	2.0
91.05476	5.8
93.07053	4.2
95.01320	0.6
95.04973	6.6
95.08603	1.7
97.06535	1.2
98.20665	0.7
103.05470	44.9
105.03413	1.1
105.04509	1.0
105.07037	6.7
107.04945	2.1
107.08594	2.1
109.06504	1.2
109.10184	0.6
113.06039	0.6
115.05463	2.1
117.07027	3.0
119.04989	0.6
119.08582	6.5
120.61292	0.6
121.06513	4.1
121.10149	1.1
123.04421	0.7
123.08067	0.9
124.86721	0.5
128.06229	1.5
129.07001	2.9
130.07799	1.2
131.04932	100.0
131.08568	10.0
132.05244	1.2
133.06496	2.6
133.10120	3.4
135.04401	1.1
135.08058	1.7
137.05986	0.8
140.49706	0.4
141.06979	1.6
142.07811	2.6
143.08554	4.6
144.09380	0.7
145.06479	5.1
145.10129	4.9
146.07222	0.7
147.08047	4.6
149.05994	2.9
149.09633	1.9
151.07559	1.0
152.06227	0.7
153.06944	0.9
154.07864	0.5
155.08566	3.1
156.09341	3.8
157.06531	0.8
157.10135	6.8
158.07262	1.2
158.10880	1.3
159.06830	1.0
159.08073	11.9
159.11711	3.1
160.08722	0.5
161.05974	4.1
161.09634	3.6
163.07533	1.7
163.11206	1.1
165.06970	1.8
165.09148	0.6
166.07758	0.9
167.08549	1.1
167.50055	0.5
168.09396	1.3
169.06499	1.2
169.10146	3.3
170.10892	1.8
171.08058	2.8
171.11720	8.3
171.27242	0.5
172.08833	1.9
173.05968	1.4
173.09624	4.1
173.13249	4.3
175.07513	1.2
175.11142	0.7
177.05493	0.7
177.09131	4.2
178.06244	0.8
178.07684	0.8
179.07042	1.9
179.08559	1.1
179.10710	0.7
180.09157	0.6
181.06416	0.9
181.10173	2.5
182.07257	0.8
183.08080	1.8
183.11705	5.7
184.08868	1.4
185.09662	3.4
185.13281	3.9
186.10406	1.9
187.07507	3.5
187.11211	2.3
189.09119	1.7
191.10663	4.0
192.09387	0.7
193.08585	1.4
193.10126	2.7
194.10925	0.8
195.08144	0.9
195.11623	2.8
196.08858	1.4
196.12427	0.6
197.09572	3.1
197.13190	1.1
197.91240	0.5
198.10539	0.6
199.07590	0.9
199.11191	5.1
201.09120	1.3
201.12744	11.5
203.10686	1.1
203.14246	0.6
205.08536	1.0
205.10237	1.2
206.10892	1.2
207.11740	2.4
208.08801	0.5
209.09587	1.5
209.13254	1.6
210.10347	1.2
211.11165	5.0
213.09042	1.3
213.12764	4.9
215.10680	1.7
217.08400	1.0
217.10197	1.2
217.12080	0.9
219.11751	1.5
220.12440	1.1
221.09723	0.7
221.13243	2.3
222.10437	0.7
223.11191	1.8
223.14784	0.9
224.11826	0.6
225.09134	1.1
225.12767	1.9
227.10655	2.2
229.12236	20.8
230.10878	0.9
231.11810	1.1
232.12373	0.8
233.13414	1.0
234.13997	1.2
235.11288	0.8
235.14886	0.8
237.09120	0.6
237.12779	2.1
237.16338	0.6
239.10713	1.2
239.14294	1.6
241.12262	1.1
242.12880	0.6
244.12418	0.6
245.13269	1.3
245.15462	0.8
246.14012	1.5
247.11203	0.9
247.13161	3.5
249.12659	1.1
249.16283	1.1
253.12311	1.1
255.13943	0.6
257.13229	0.8
258.14227	0.6
260.15579	0.5
261.12811	0.7
261.16376	2.0
263.10757	0.7
263.14215	0.6
265.12170	1.1
265.16071	0.8
267.13806	2.7
271.11090	0.6
272.15530	0.7
274.13416	0.8
277.12140	0.5
277.15823	1.9
279.14526	0.5
279.17429	1.4
285.14990	3.0
286.13681	0.5
287.14325	0.8
289.12549	0.5
289.15845	1.8
295.13678	0.6
295.16959	1.1
307.16968	3.0
313.14435	1.1
317.15469	0.7
319.13327	0.7
319.16785	0.9
325.17889	2.1
329.15344	0.7
331.15363	3.5
333.18549	1.2
343.16858	0.9
347.16431	0.8
349.17337	1.5
351.19617	0.6
361.17990	2.4
363.15805	0.6
371.16324	0.7
377.17493	1.9
379.18997	2.2
387.18127	2.1
389.17435	3.9
407.18570	8.3
408.18393	0.5
415.17554	0.9
425.19431	2.1
427.21167	0.9
433.19110	0.8
449.23477	0.6
467.24783	0.5
468.13934	0.6
469.15060	2.2
482.16156	2.5
483.16669	3.5
485.18213	0.8
491.20520	0.9
495.16959	1.0
496.17245	1.4
497.18246	9.2
498.18860	1.1
509.21729	3.9
511.19766	1.4
527.22705	1.5
555.18768	1.4
556.19275	0.9
557.19556	1.1
573.23877	0.6
621.24298	0.6
643.24915	0.7
644.24445	1.8
657.26794	4.2
660.24438	0.9
675.26434	32.7
676.26746	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64098	0.3
55.05507	0.6
69.95868	0.4
83.05003	0.5
104.24822	0.4
105.03428	0.6
130.97209	0.4
171.11641	0.5
177.05605	0.6
177.61960	0.4
195.54140	0.4
213.12872	0.5
272.98938	0.4
332.54733	0.4
442.16531	0.5
445.18686	0.5
454.16898	0.6
455.13745	1.1
456.13870	0.5
457.19119	0.6
467.12558	0.7
468.14047	2.3
469.14835	7.1
470.15833	1.6
471.16971	1.2
472.17618	0.7
481.14542	2.1
482.15894	8.0
483.16660	8.7
484.17523	1.8
485.18417	1.4
495.16794	2.9
496.17584	4.6
497.18271	32.6
498.18930	3.4
499.20236	0.6
510.19122	1.2
511.20041	4.5
512.20410	1.5
515.19885	0.8
523.16223	0.6
528.16101	2.0
541.17487	0.9
542.18048	2.7
555.18726	3.9
556.19470	2.3
557.20593	3.2
569.20740	0.7
571.21893	0.7
573.23254	0.9
616.21619	1.1
617.22345	1.1
625.22540	0.7
629.22424	0.7
643.24097	7.7
643.32397	0.3
644.24805	7.2
645.23981	0.9
645.70947	0.4
657.25464	5.9
660.24023	1.5
675.26654	100.0
676.26825	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	675.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.7
55.79989	1.2
57.07061	1.3
63.03527	1.3
67.05515	7.2
69.07061	3.2
79.05496	4.8
81.07053	4.8
83.04951	1.5
83.08623	1.5
91.05480	3.1
93.07047	3.2
95.04947	1.6
95.08626	3.5
105.07059	2.6
107.08591	2.3
115.71618	1.3
115.72453	1.4
117.07037	2.0
119.08567	1.6
121.10138	1.9
131.04918	1.7
131.08562	2.1
133.10106	2.4
136.06172	1.3
223.57628	1.5
295.09354	1.5
399.14676	4.7
412.15277	5.2
413.16116	13.2
414.17160	12.8
415.18173	4.6
426.16782	4.8
427.17603	16.2
428.18466	20.5
432.18936	1.7
441.19489	14.0
442.19916	26.7
443.20746	8.2
469.18774	30.8
470.19025	29.2
471.17026	2.5
472.17328	4.4
473.18353	7.2
473.24146	1.4
474.18637	8.0
484.13272	2.3
485.13528	1.6
486.18933	2.3
501.21115	3.7
510.19092	2.1
513.17810	20.7
514.17816	29.0
515.17651	2.3
525.21240	5.8
529.23956	2.0
541.20544	1.9
557.24011	84.3
558.24115	3.2
573.22595	1.9
588.25964	24.3
601.22552	3.1
615.24500	15.9
616.24841	100.0
617.24231	4.3
631.28845	2.9
643.24011	41.8
647.26385	2.1
657.28137	2.0
675.26666	14.1
675.43738	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	675.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97450	2.2
51.02378	2.7
53.03936	6.1
55.01880	13.4
55.05504	7.7
64.70014	2.4
65.03934	3.9
67.05511	10.0
69.03419	8.1
69.07066	2.7
70.06580	4.5
70.49593	2.4
71.04993	27.6
71.55370	3.9
77.45036	2.6
79.05505	20.4
79.76500	2.3
81.03433	13.7
81.07040	9.3
81.13441	2.2
83.04984	8.2
84.53791	2.3
85.02917	4.9
91.05487	24.2
93.07059	12.9
95.01348	6.0
95.04974	28.4
95.08604	8.1
97.02886	6.5
98.63255	2.9
99.04457	20.7
99.20760	2.4
103.05456	7.1
105.07035	48.0
107.04976	9.6
107.08602	8.8
109.02853	4.1
109.06503	13.5
111.04465	2.8
115.05440	17.9
117.07040	17.5
119.04962	6.1
119.08626	13.7
121.06503	11.5
121.10176	3.3
123.04424	8.8
123.08096	5.0
125.06013	7.7
127.03930	3.6
128.06204	15.5
129.07016	13.5
130.07803	3.1
131.04912	3.5
131.08597	16.1
133.06497	49.9
133.10130	9.2
135.00208	2.9
135.04413	6.8
135.08023	12.2
137.06000	11.8
141.06992	13.5
142.07797	11.5
143.08569	31.5
145.06471	20.9
145.10136	8.0
147.08073	8.5
149.06010	8.9
149.09554	3.6
151.07478	6.2
153.05536	2.9
153.06984	7.7
154.07785	8.3
155.08591	16.7
156.09331	19.4
157.06497	8.4
157.10158	19.2
158.07187	5.3
159.04416	3.6
159.08067	19.4
159.11703	6.9
161.05994	100.0
161.09645	8.8
163.07550	16.7
165.05566	4.1
165.07024	8.5
166.07780	3.7
167.08566	9.7
168.09370	3.9
169.06512	10.0
169.10127	25.3
170.10918	8.5
171.08002	16.7
171.11688	27.3
172.08823	6.2
173.05995	9.1
173.09608	15.3
173.13255	3.8
175.07539	8.8
177.05473	5.6
177.09119	4.4
179.07071	10.4
179.08569	14.6
181.10124	10.6
182.07326	7.3
182.10890	3.3
183.08078	20.0
183.11711	7.7
184.08850	12.0
185.06029	3.7
185.09608	22.7
185.13237	3.2
187.07516	8.5
187.11224	9.7
189.05522	3.4
189.09160	7.6
190.07738	3.5
191.06999	3.5
192.09375	4.5
193.10207	9.8
195.08078	11.7
195.11739	4.9
196.08789	6.1
197.06012	5.8
197.09641	42.6
197.13310	3.1
198.10448	6.9
199.07547	12.9
199.11198	68.8
201.09116	8.1
203.07030	5.9
203.10681	2.5
204.09386	3.2
205.08507	4.4
206.10916	3.2
207.08076	9.0
207.09955	3.5
207.11688	4.7
209.09665	13.0
209.13284	4.0
211.07570	10.7
211.11240	10.0
213.09119	27.4
213.12732	3.0
215.06998	3.9
215.10591	16.3
217.08595	8.5
217.12138	3.8
219.08263	3.9
223.07567	6.0
223.11224	8.1
225.05667	3.4
225.09094	60.8
225.12610	5.1
227.06978	5.7
227.10698	9.0
229.08571	7.9
235.07552	4.5
235.09468	3.8
235.11488	3.8
237.09077	7.5
237.12779	3.8
239.10712	8.4
241.08592	20.7
243.09883	13.1
245.08011	6.1
249.09109	5.3
249.12764	3.5
251.10629	5.7
253.08569	8.2
255.10173	9.2
257.08041	23.2
257.11734	11.3
259.09415	13.0
261.12906	4.1
263.10812	2.9
263.14368	3.9
265.08768	3.2
265.12332	3.5
267.10104	12.3
271.09772	9.6
272.12042	3.4
279.10175	4.4
281.11697	7.0
283.09756	6.3
285.11154	21.2
289.15918	4.9
299.14212	3.9
301.10818	9.4
301.15955	3.8
303.12320	11.8
307.09738	4.0
309.11435	5.0
319.16873	2.8
327.13531	4.4
329.11465	3.7
329.15329	6.0
331.17032	6.3
333.14795	3.9
339.13629	4.7
341.14969	3.8
343.13254	2.9
349.17892	2.9
355.13004	3.8
357.14746	11.3
359.16479	5.2
367.13318	3.9
373.14459	4.0
375.15811	4.7
377.17523	8.3
385.14276	10.7
387.15216	3.8
395.18329	8.4
401.16177	15.4
403.15359	11.6
410.41086	2.9
417.16214	9.4
419.14777	3.7
421.16556	6.8
431.14932	5.4
433.16122	5.9
435.17743	3.2
439.17233	6.9
445.16388	11.1
449.15845	7.6
451.17563	19.6
453.19217	4.0
459.16129	2.8
461.18250	14.1
463.17542	40.1
477.28323	3.3
481.18533	24.9
499.19684	4.5
501.19287	3.2
519.20557	2.8
537.21063	7.2
561.21069	7.3
567.22089	21.8
579.22192	29.0
597.23279	30.9
615.24353	6.4
621.23553	4.1
625.22601	4.3
639.23480	5.1
657.24683	12.7
675.24713	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	675.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.1
55.01875	16.4
55.05502	7.9
55.94761	2.4
63.11946	2.4
67.05522	14.5
69.03432	8.4
69.18343	2.2
69.18677	27.7
71.05000	37.1
77.08672	2.8
79.05505	19.2
81.03416	14.7
81.07056	6.7
83.01337	2.5
83.04989	11.5
84.08128	4.6
91.05495	29.5
93.07046	14.7
95.01326	4.2
95.04975	31.9
95.08616	11.1
97.02914	4.4
97.06530	5.5
99.04473	23.6
103.05480	11.4
105.03425	3.0
105.04484	4.3
105.06385	4.7
105.07040	53.2
107.04956	18.7
107.08598	5.9
109.02900	3.6
109.06512	12.4
109.10155	4.6
112.27869	2.3
115.05469	15.2
115.71560	2.4
116.06251	3.0
116.07108	4.5
117.07011	16.7
118.70409	2.3
119.04967	7.1
119.08588	14.7
121.06511	14.6
123.04474	5.0
123.08044	4.3
125.05984	10.7
128.06215	15.2
129.07022	21.1
131.04941	4.3
131.08594	21.1
133.06500	54.0
133.07454	4.2
133.10135	5.9
135.04439	7.3
135.08064	15.7
137.05980	14.1
138.01207	2.6
139.03911	4.3
141.07007	16.0
142.07808	16.3
143.08578	29.9
145.06497	23.3
145.10144	8.2
147.04427	5.9
147.08064	10.3
149.06001	13.0
149.09630	3.7
151.03957	4.0
151.07555	7.5
152.06168	3.8
153.05550	4.6
153.07037	9.5
154.07816	8.5
155.08615	16.7
156.09375	25.7
157.06487	11.0
157.10130	24.8
158.07259	7.9
159.04433	3.6
159.08061	21.4
159.11720	9.6
161.05998	100.0
161.09599	8.2
163.07549	20.1
165.05702	3.0
165.07028	10.9
166.07822	6.5
167.08603	12.9
169.06499	10.3
169.10161	25.3
170.07281	2.9
170.10933	6.5
171.08055	17.3
171.11708	26.5
172.08835	6.0
173.05951	6.3
173.09645	10.8
175.07538	10.6
177.05521	8.3
177.09113	4.7
178.07803	4.9
179.07028	15.2
179.08604	12.0
180.09409	6.3
181.06491	6.1
181.10187	13.5
182.07249	7.4
182.10893	3.1
183.08083	23.3
183.11649	13.6
184.08839	19.8
185.05978	9.6
185.09601	24.4
187.07574	11.9
187.11211	10.7
189.05536	3.4
189.09111	10.9
191.07053	5.6
191.08623	4.9
192.09355	3.6
193.10181	7.9
195.08029	14.0
195.11679	8.8
196.08824	4.6
197.06003	3.6
197.09648	46.1
197.13292	3.0
198.06836	4.1
198.10397	4.3
199.07510	13.0
199.11201	76.9
201.09169	8.1
202.07948	3.2
203.07048	8.6
203.10532	3.2
205.08527	6.4
205.10248	3.7
206.10970	3.6
207.08087	8.1
207.11748	6.5
208.08942	3.3
209.09647	11.0
211.07585	10.3
211.11217	11.6
213.05539	3.8
213.09163	23.9
215.06966	4.0
215.08815	4.6
215.10666	16.3
217.08589	11.2
217.10374	3.9
218.10942	3.2
219.08199	3.5
221.09615	6.5
222.10240	3.9
223.07591	9.5
223.11229	11.6
225.09131	64.4
225.12660	5.5
227.06981	4.4
227.10693	7.5
229.08609	10.0
229.12303	6.8
232.12515	4.5
235.11369	4.9
236.11844	3.0
237.09102	7.0
237.12776	6.0
238.09927	3.5
239.06897	3.3
239.10698	9.5
241.08447	24.7
241.12291	4.2
242.11116	3.3
243.10025	17.1
245.08089	9.3
247.09714	9.6
249.09113	7.3
249.12933	3.5
251.10692	5.7
253.08667	8.9
253.12306	6.4
255.09901	12.2
257.07999	17.5
257.11456	13.8
259.07318	2.8
259.09320	13.1
263.10718	3.9
267.10040	12.6
269.08206	3.8
271.09641	9.0
272.12119	5.8
273.12601	3.9
279.10135	5.0
281.11877	6.2
283.09653	5.6
285.11102	28.0
287.14157	5.7
293.15778	2.5
297.11823	2.9
299.14328	6.5
301.10876	10.2
301.15915	4.5
303.12204	12.9
309.11365	4.0
311.14050	3.7
312.11606	3.2
313.12079	5.7
315.10046	3.7
315.13611	6.0
317.11575	4.6
317.15155	3.3
323.12912	4.1
327.13483	3.1
329.15253	8.5
331.16837	6.2
333.14859	4.6
341.15292	6.8
345.14722	5.1
347.16556	7.2
349.18054	5.7
355.13150	3.7
357.14746	9.8
359.16354	7.0
361.14554	3.8
367.13034	3.2
373.14371	7.3
375.15784	9.9
377.17554	10.2
385.14276	12.2
387.15164	2.9
389.14334	3.0
391.15515	4.4
395.18759	5.0
401.16174	21.2
403.15421	18.1
405.17130	4.5
413.14236	3.9
417.16415	6.9
419.14871	7.6
421.16238	10.0
431.15063	10.5
433.16611	5.6
435.17935	4.3
445.16351	12.0
449.15955	13.4
451.17581	13.4
453.19431	3.6
461.18207	14.2
463.17551	37.5
481.18524	29.9
499.19342	3.8
537.21320	12.7
561.21100	10.9
567.22400	19.3
579.22180	28.5
597.23407	31.4
615.24457	6.6
639.24023	8.4
657.26398	14.4
657.35510	4.4
675.27289	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	674.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	14.2
55.05502	9.4
57.03454	5.1
57.07066	13.6
57.07316	3.2
67.05502	14.8
69.03451	6.5
69.07067	7.1
70.58385	7.2
70.58726	5.5
79.05497	19.4
81.03437	15.1
81.07060	11.2
83.05004	6.1
83.08604	3.7
87.71136	3.4
91.05482	36.9
93.07043	13.9
95.04979	21.3
95.08612	7.7
97.06478	4.2
103.05476	6.1
105.07031	24.2
107.04964	10.7
107.08610	9.7
108.13487	3.0
109.06523	8.2
109.09445	3.1
109.10166	9.4
111.08060	4.0
115.05473	10.3
117.07030	30.1
119.08578	47.9
121.06497	7.7
123.08042	5.3
128.06210	7.9
129.07021	26.3
131.04935	5.3
131.08592	29.8
133.10120	7.9
135.08061	7.0
141.07007	3.6
142.07753	5.2
143.08546	16.0
144.05756	4.0
145.06487	24.6
145.10127	18.3
147.08052	100.0
149.09621	17.6
153.06906	4.4
155.08580	10.1
156.09354	5.4
157.10139	29.6
158.07310	5.1
159.08066	46.0
159.09265	4.5
159.11685	36.4
161.09627	29.2
163.07541	82.5
163.11116	3.8
168.09390	4.1
169.10110	22.4
171.08028	6.0
171.11726	15.5
172.08762	3.7
173.06036	6.5
173.09625	33.5
173.13229	7.6
175.07565	15.3
183.11693	50.5
185.09636	10.8
185.13280	29.2
187.07603	5.8
187.11229	13.0
193.10121	9.9
195.11694	4.8
197.09641	13.5
197.13283	3.3
199.11227	10.8
201.09177	15.5
201.12781	19.5
207.11789	6.1
209.09727	7.6
211.11172	11.4
211.14752	3.8
213.12724	9.5
215.10635	4.0
217.12184	5.2
219.11812	4.6
221.13161	6.3
223.11290	5.6
225.12906	4.9
227.10730	6.4
229.12222	23.0
233.15289	4.9
235.11157	3.9
237.12720	6.3
243.13843	12.1
245.13234	4.8
247.14920	5.1
249.12801	5.8
251.14227	3.6
255.13969	4.0
257.13449	4.0
258.14124	3.9
259.10959	3.7
259.13391	11.8
261.12524	4.4
261.14938	14.6
263.14566	3.1
272.12018	4.8
272.15323	3.3
273.12616	6.4
275.14313	4.2
277.12241	3.4
283.10980	3.4
285.12582	5.2
286.13382	3.5
287.14206	4.6
289.14218	4.0
291.13901	4.7
298.13345	4.5
299.14340	7.9
300.15045	6.6
301.16061	4.0
314.16776	5.0
315.14178	3.5
315.17361	22.8
321.18546	4.2
329.18951	14.3
333.18591	4.2
343.16754	7.4
347.20053	5.7
357.18503	19.7
375.19559	15.5
385.17853	4.5
389.21182	35.7
399.19598	4.1
403.19165	11.6
407.22162	21.1
417.20688	32.8
435.21655	41.3
453.22604	4.5
477.22577	9.5
495.23752	27.2
537.28265	4.2
574.95667	3.7
579.29224	4.1
596.26294	3.8
597.30804	5.6
625.29181	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	674.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10991	4.4
53.03923	5.0
55.01871	13.2
55.05524	39.6
58.31884	3.5
69.03435	5.7
75.64055	3.8
79.05476	9.4
80.58077	4.0
81.03410	6.9
81.07053	8.9
83.04996	62.5
91.05476	23.0
93.07037	7.2
95.04962	12.6
103.05441	5.5
105.07018	17.3
107.04913	8.0
107.08583	11.0
109.06533	8.6
115.05443	8.9
117.07018	13.7
119.08579	27.8
128.06221	10.3
129.07019	7.1
129.19429	4.9
131.04910	5.5
131.08545	16.2
133.10152	17.1
141.36685	4.2
142.07767	10.9
143.08543	21.6
145.06494	14.8
145.10147	16.7
147.08051	100.0
149.09651	8.7
155.08554	8.1
156.09360	13.2
157.10138	36.1
159.08069	34.9
159.11714	9.6
161.09650	39.7
163.07573	15.9
163.11177	5.6
167.08588	8.0
169.10103	11.0
170.10803	7.1
171.08049	14.9
171.11691	55.0
173.05980	7.9
173.09633	27.1
175.07553	8.7
175.11154	5.2
179.10660	9.1
181.10146	6.6
183.11690	25.5
184.08896	7.5
185.09601	22.1
185.13271	53.9
187.07426	5.8
187.11208	12.1
189.09122	7.2
193.10178	7.6
195.11729	10.1
197.09680	8.6
197.13298	9.9
198.10226	4.6
199.11270	21.2
201.09050	5.6
201.12723	8.2
209.09573	6.0
211.11195	8.0
213.12761	59.7
217.12213	9.3
217.74606	4.8
221.13240	6.4
225.12669	6.0
229.12369	8.5
231.13873	11.5
233.09761	5.2
236.77119	4.8
237.12721	7.6
241.12212	4.6
244.12390	6.2
245.15401	29.7
255.13884	12.2
259.13110	23.1
261.12698	8.6
262.13370	5.3
263.14194	5.2
263.16589	8.8
266.00580	4.4
269.13113	5.0
273.14789	27.7
275.14243	9.2
285.16272	4.1
287.14355	5.8
291.16110	20.7
298.13394	5.1
299.14099	5.8
311.14236	8.2
312.15271	8.0
313.15842	10.6
315.13797	6.1
315.17432	11.7
317.19043	8.5
326.16629	5.2
327.17572	13.6
329.15292	6.9
329.18854	6.9
341.18903	13.9
345.18433	10.6
359.19998	16.0
369.18445	5.2
375.19571	5.4
377.20987	5.6
387.19440	17.6
389.21365	7.4
391.22595	12.1
401.20990	33.0
405.20432	13.5
407.22293	6.3
419.22174	62.6
437.23416	61.5
447.20959	4.8
465.22650	18.8
479.24170	20.0
497.25266	37.6
537.28656	5.5
565.27429	8.3
579.29626	10.4
597.30566	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
51.79205	0.6
53.03953	4.9
55.01865	2.0
55.05514	24.3
57.03451	1.3
57.07078	4.9
57.18395	0.6
63.16234	0.6
64.04137	0.5
65.03947	5.0
67.05509	87.2
69.07072	26.6
69.76686	1.4
69.77092	2.9
71.04994	3.4
71.08644	1.7
75.65688	0.6
77.03958	1.1
79.05498	58.4
81.03426	0.7
81.07063	88.6
82.07423	0.7
83.04995	1.9
83.08629	17.1
85.06534	2.4
87.37498	0.5
89.06066	0.8
91.05058	0.6
91.05488	28.9
93.07052	62.8
95.04977	4.4
95.08614	70.0
96.08965	0.6
97.06548	7.4
97.10184	8.6
99.08119	2.1
105.04552	2.3
105.07040	19.0
107.07872	1.5
107.08604	31.0
109.06541	1.4
109.10165	25.3
111.08072	3.8
111.11746	2.7
113.09637	1.1
115.05443	0.7
117.07028	4.4
118.06601	0.8
119.08591	15.4
121.10154	47.8
123.11731	9.7
125.09642	2.9
127.11189	0.7
129.07082	0.7
131.08586	7.9
133.10146	10.5
135.08118	1.0
135.11699	23.3
137.09608	1.0
137.13272	2.6
139.11273	1.4
143.08582	0.8
145.10162	8.1
147.11684	8.7
149.09651	0.9
149.13271	8.9
151.11186	1.1
151.14804	1.0
153.12753	1.4
157.10056	0.6
159.11713	4.7
161.13255	8.7
163.14845	2.3
165.12766	2.0
165.16454	0.8
173.13229	3.7
175.14839	2.8
179.14374	2.1
187.14847	2.1
193.16054	0.7
201.16472	1.3
203.39786	0.7
210.61952	0.7
223.16991	0.9
227.12740	0.7
233.22737	0.8
243.21088	3.4
259.20721	1.8
261.22168	15.5
263.23788	1.0
277.21881	0.7
279.23215	14.2
301.42560	0.6
303.23389	2.0
321.24280	8.8
323.25970	0.8
333.24371	1.6
353.27109	0.8
377.26941	4.8
395.28027	3.1
405.34677	0.7
468.37476	1.3
561.41443	1.9
613.48285	1.7
638.46667	1.0
655.48810	1.1
673.50409	100.0
674.50476	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	673.465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.4
57.07080	0.8
59.86636	0.5
66.64368	0.5
67.05513	3.4
67.05827	0.6
69.07066	1.5
78.58593	0.5
79.05511	1.5
81.07060	3.8
81.70295	0.5
83.08635	1.3
89.06019	1.0
91.05494	1.5
93.07059	2.0
95.08631	3.2
97.06625	0.6
98.21458	1.1
105.07027	1.3
107.08604	1.1
109.10187	1.8
119.08601	1.1
121.10144	0.9
131.08578	0.6
133.10156	0.8
135.11720	0.5
149.46100	0.6
204.47899	0.5
298.19196	0.5
347.21973	5.8
349.23645	1.2
403.24524	1.2
625.01898	0.5
634.99365	0.7
673.46539	100.0
674.47028	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	673.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	14.1
55.01868	6.9
55.05517	52.6
57.07074	16.0
58.72474	5.2
67.05488	21.0
69.03420	16.6
69.07059	9.9
71.55704	6.8
73.11131	5.4
77.03944	5.8
79.05493	29.3
81.03403	15.4
81.07070	31.3
83.04976	82.3
84.05301	9.8
85.02917	7.2
85.06542	6.6
91.05480	42.3
93.07050	32.6
95.04966	20.5
95.08594	19.9
97.02869	7.9
97.06551	6.1
99.04371	5.2
101.40884	5.6
103.05462	31.4
105.03400	32.1
105.07037	59.5
107.04951	7.0
107.08617	16.5
109.06512	16.9
115.05457	23.6
117.07011	23.4
119.04997	6.6
119.08592	53.5
121.06551	12.3
121.10136	17.9
123.08096	5.8
128.06213	11.4
129.06996	17.1
131.04936	51.8
131.08582	36.1
133.06488	26.9
133.10147	31.5
135.08025	17.2
141.06993	7.6
142.07819	15.6
143.08569	29.3
145.06474	19.6
145.10126	31.5
147.08046	22.9
149.09656	20.0
153.07008	7.7
155.08568	20.7
156.09302	23.6
157.10161	61.8
159.08058	21.8
159.11732	34.4
161.06001	42.2
161.09604	19.8
163.07524	17.6
163.10986	5.6
165.07034	11.2
165.09140	7.0
167.08551	8.8
169.06519	7.3
169.10100	33.6
170.10884	24.0
171.08011	19.6
171.11711	81.1
172.12042	9.9
173.06003	11.2
173.09619	29.0
173.13245	11.0
175.07570	13.0
175.11154	9.6
177.09171	15.6
179.08531	8.4
180.09380	7.2
181.10156	15.2
181.12135	5.2
183.08102	16.7
183.11703	100.0
184.12306	7.8
185.09631	31.3
185.13280	52.2
186.13625	9.6
187.07579	11.4
187.11166	22.4
189.05470	20.5
189.09085	8.4
191.10692	9.9
193.08504	8.3
193.10120	17.3
193.12114	10.4
195.11736	16.7
197.09616	20.1
197.13251	14.5
198.10397	8.3
199.07576	6.5
199.11249	32.3
200.11807	10.0
201.09131	8.0
201.12776	12.5
205.12248	8.3
206.10828	8.2
207.11697	22.6
209.09679	8.6
209.13324	16.2
211.11238	30.6
211.13171	8.3
213.09166	9.1
213.12750	63.0
214.13060	10.1
215.10585	6.9
217.12198	7.1
219.11697	12.7
221.13239	17.1
223.11182	6.9
223.14839	5.9
225.12740	9.1
228.09344	6.7
229.10182	9.0
229.12131	11.2
231.11790	12.3
231.13794	13.2
232.12360	8.3
233.13254	16.4
235.11224	10.9
235.15028	10.9
237.12662	10.9
239.10579	9.3
241.10112	6.4
241.12247	17.7
243.11823	11.1
243.13852	16.2
245.09679	6.7
245.13318	8.2
245.15440	26.7
246.10353	6.9
246.13824	8.5
255.13809	11.2
257.13260	11.8
258.14142	13.9
259.14856	10.8
261.12604	8.6
261.16241	6.4
267.11600	7.3
269.13187	8.5
270.13974	13.2
271.14883	9.0
273.14832	29.2
275.14191	6.2
275.17880	10.0
277.15680	6.1
282.10645	7.2
283.14981	9.2
284.15500	6.2
285.12698	12.4
285.16409	18.8
287.14227	14.4
288.14902	6.4
298.13602	8.4
299.14319	8.4
299.17667	7.3
301.15576	10.2
303.17523	16.6
311.14029	11.8
313.12231	9.8
313.15802	15.4
315.17242	13.1
317.15298	9.7
327.17502	16.2
329.15314	15.0
329.18930	8.0
331.16959	16.4
333.18481	6.7
335.20145	7.2
341.15390	10.3
343.16983	15.7
345.18521	16.8
347.16428	11.4
349.17828	14.8
355.16757	13.7
359.16174	18.9
359.20129	11.7
361.18097	16.4
371.16025	10.5
373.17987	32.3
375.19583	12.1
377.17328	10.7
387.19540	11.0
389.17239	15.4
391.19177	19.5
393.20609	8.2
401.17322	18.7
403.19058	16.2
405.20505	22.8
415.19089	10.2
417.20462	6.8
419.18347	14.0
421.20059	24.0
423.21222	9.2
427.19827	6.1
433.20078	39.6
437.19345	9.0
449.19754	9.2
451.21085	32.7
461.29001	6.2
511.23581	10.6
555.28137	6.7
655.33978	7.9
673.29236	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	673.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.1
53.03935	3.0
55.01863	5.3
55.05499	4.3
67.05478	3.9
69.03414	1.5
69.07062	1.9
71.55322	2.0
77.03911	1.5
79.05488	5.2
81.03408	5.0
81.07064	3.3
83.04977	7.4
91.05484	10.4
93.07030	5.9
93.07558	1.4
95.04977	7.0
95.08620	2.7
95.66410	1.3
103.05477	47.4
105.07029	9.3
107.04989	4.4
107.08615	3.9
109.06476	2.1
109.15938	1.3
115.05468	5.3
117.07007	8.3
119.08600	10.1
121.06525	2.0
125.05939	1.6
125.44242	1.4
128.06206	2.4
129.07016	7.9
131.04941	100.0
131.08598	8.0
133.06493	4.6
133.10158	7.4
135.08022	3.2
141.06953	2.4
142.07767	3.4
143.08578	7.5
145.06458	7.9
145.10158	8.0
147.08047	22.3
147.11714	1.7
149.09630	3.3
155.08545	3.8
156.09367	4.5
157.10150	13.2
159.08047	13.5
159.11655	5.8
161.05978	5.1
161.09628	10.9
163.07564	22.9
165.07014	2.6
168.02885	1.6
169.10124	5.6
170.10934	3.6
171.08044	4.8
171.11720	19.3
173.05960	2.5
173.09599	9.5
173.13292	1.7
175.07579	11.3
176.23848	1.3
177.09120	1.9
179.08620	1.4
181.10106	2.8
182.10999	1.3
183.08057	2.6
183.11682	10.1
184.08862	2.9
185.09642	6.5
185.13263	11.9
187.07578	7.2
187.11195	4.3
189.09088	4.2
195.11652	4.1
197.09650	5.0
197.13217	3.7
199.11250	11.2
200.11986	1.8
201.09076	2.8
201.12817	2.8
207.11734	2.2
209.09605	1.7
211.11224	3.0
213.09146	2.1
213.12680	10.2
215.10684	2.9
217.08623	2.7
217.12343	2.3
221.13242	2.0
223.11238	2.6
225.09100	5.2
227.10666	3.5
229.10240	2.4
229.12288	3.7
231.09998	2.1
231.13820	11.6
241.12253	7.3
245.11542	2.2
247.11349	1.7
258.14157	1.6
259.13309	10.0
260.11990	2.2
273.12613	2.5
297.12781	2.3
299.14163	2.0
311.14209	1.5
312.15109	1.9
313.15900	3.8
315.17319	2.2
327.17474	3.3
329.15259	2.8
341.18912	3.1
345.18356	2.2
349.43307	1.6
357.18307	1.8
359.20026	3.8
369.18417	3.4
375.19467	3.8
377.21286	3.5
387.19656	17.5
405.20612	16.4
423.21701	4.4
447.21533	2.6
463.17599	2.5
465.22787	7.7
467.59067	1.4
507.23596	2.1
523.19916	2.7
525.24493	3.0
541.20728	3.4
544.46991	1.5
621.13733	1.4
653.68750	1.7
655.28949	3.2
673.28278	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.7
52.34142	0.7
53.03951	9.0
55.01875	9.8
55.05515	42.1
65.03944	0.7
67.05511	4.4
69.03436	1.5
69.07065	2.6
71.04970	0.7
71.55556	1.0
77.03932	1.8
77.64614	0.7
79.05498	7.9
81.03426	10.3
81.07073	5.5
83.04987	71.2
83.08624	1.2
84.05321	0.9
85.55280	0.6
91.05482	17.6
92.05805	0.8
93.07070	5.0
95.04977	15.3
95.08611	3.1
103.05471	3.0
105.03400	100.0
105.04544	3.8
105.07041	9.0
106.03741	1.3
107.04964	6.9
107.08594	4.2
108.02097	0.6
109.06507	2.0
109.10155	1.5
111.08160	0.8
115.05466	4.3
116.06260	1.7
117.07021	9.6
119.04993	1.1
119.08588	19.2
121.02857	0.8
121.06521	2.6
121.10142	1.5
123.04414	0.8
128.06230	3.7
129.07014	14.3
130.07785	1.4
131.04938	1.8
131.08574	12.3
132.05759	1.3
132.58231	0.6
133.06493	3.5
133.10144	4.8
135.04439	0.7
135.08069	3.0
135.11804	0.8
141.07021	3.1
142.07774	5.0
143.08574	8.6
145.06493	8.9
145.10120	6.5
147.08057	63.7
148.08429	0.7
149.08557	1.0
149.09641	11.4
154.07838	1.7
155.08534	4.4
156.09346	7.3
157.06538	2.8
157.10139	40.6
158.07307	2.6
159.08066	17.3
159.11694	15.0
160.05212	0.7
161.05905	1.1
161.09641	10.6
163.07559	7.1
165.07043	2.2
167.08562	2.2
168.09352	1.6
169.06456	0.7
169.10135	12.1
170.07233	0.8
170.10823	1.5
171.08101	3.1
171.11705	37.1
173.06039	3.6
173.09634	8.7
173.13269	3.7
175.06049	1.1
175.07565	22.4
175.11200	2.2
179.08580	2.1
180.09389	1.5
181.06444	0.9
181.10199	2.5
183.06541	0.8
183.08134	2.9
183.11708	18.3
184.08875	0.9
185.09628	9.1
185.13306	1.5
187.07614	2.1
187.11191	7.1
187.58614	0.7
189.09145	2.0
191.10710	0.9
193.10172	2.5
195.08096	1.3
195.11716	2.6
197.09676	8.6
197.13275	2.1
199.07492	1.0
199.11200	11.8
201.09128	1.6
201.12776	1.2
203.08826	0.9
203.10753	2.3
204.09390	0.7
205.10236	1.6
206.10922	2.7
207.11787	3.4
208.12486	0.9
209.09659	2.4
209.13306	3.4
211.11223	2.3
213.09184	2.3
213.12720	0.9
215.10646	3.5
217.10234	1.6
217.12212	8.6
218.10864	0.7
219.07983	0.9
219.11734	1.4
220.12405	1.5
221.09650	0.9
221.13234	3.9
222.10342	0.9
223.11224	3.5
223.14867	1.2
225.09204	1.5
225.12793	2.5
227.10623	8.5
229.10194	1.5
229.12239	8.8
230.10750	1.4
231.11723	1.8
231.13785	15.1
232.12375	0.9
233.09593	1.1
233.13411	1.3
233.15460	2.5
234.14252	1.0
235.11295	1.8
235.14825	3.2
237.12743	4.2
239.10661	0.8
241.12350	1.4
242.10933	1.1
243.11778	1.1
243.13852	2.2
244.12457	1.2
245.09567	1.5
245.11563	1.9
245.13663	1.4
246.10399	1.1
246.14194	1.2
247.11143	1.3
247.14986	1.3
248.11990	1.6
249.12701	2.1
249.14873	1.5
251.10701	1.3
251.14420	1.9
253.10039	0.8
253.12410	0.8
255.11771	1.9
257.13480	1.5
258.14050	1.9
259.11044	1.7
259.13062	5.3
260.11801	1.0
260.15881	0.8
261.12683	2.1
262.13699	0.7
263.14404	3.6
265.12430	0.8
267.13922	1.1
269.13211	1.7
270.14120	1.6
271.11230	1.8
271.14752	1.6
272.12161	1.2
273.12708	2.3
273.15768	0.7
274.13489	1.1
275.14481	1.4
277.14389	1.7
283.11243	2.6
283.14456	0.8
284.11935	1.0
284.15524	1.4
285.12885	3.1
285.16467	2.5
286.13586	1.4
287.12878	2.4
287.17688	1.0
288.15057	1.4
289.15781	2.3
291.13922	1.2
291.19778	0.9
295.14474	0.8
296.15494	0.8
297.12711	2.9
298.13409	3.4
299.14456	3.2
299.17606	0.9
300.15027	1.7
301.15814	1.8
303.17447	8.6
312.15222	1.8
313.15848	7.8
314.16647	2.2
315.17422	5.6
317.15466	0.9
317.18921	1.8
325.12140	0.8
327.14044	1.2
327.17474	4.7
329.19012	2.3
331.16928	16.3
341.15411	1.3
345.18448	6.3
347.20041	0.8
355.16965	4.0
357.18549	1.9
359.16476	3.1
359.29291	0.7
373.17932	12.2
373.21869	1.4
374.18698	0.8
375.19489	1.6
377.21225	3.8
383.16235	1.0
387.19620	6.2
389.21112	5.1
391.18927	1.4
401.17661	3.9
405.20645	32.3
407.22104	4.1
415.19214	1.2
419.18701	2.4
423.21793	3.9
433.20126	19.6
451.21176	6.2
452.19775	0.7
489.26257	0.8
490.30133	2.6
491.30313	4.1
519.23584	1.4
533.25549	2.0
541.22131	1.7
551.26538	2.5
555.23700	3.8
559.22882	1.5
572.71014	0.8
573.24689	7.8
613.34003	2.1
623.28717	1.0
641.27545	3.8
655.29102	20.1
655.40222	1.0
656.29413	1.3
673.30554	0.8
673.43762	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.4
53.03948	8.4
55.01884	9.5
55.02102	2.0
55.05516	73.8
57.03435	2.4
57.07080	21.8
58.07422	2.4
59.63904	1.5
61.02924	8.6
67.05506	7.6
69.03441	3.1
69.07054	4.6
69.24989	15.1
71.08630	12.2
72.08966	2.0
73.02908	3.0
74.32195	1.8
77.03936	1.8
79.05491	6.5
81.03434	10.7
81.07062	11.5
83.04989	100.0
83.08618	4.8
83.75475	1.5
84.05327	1.6
85.02918	8.6
85.10181	9.1
91.03950	7.7
91.05486	19.5
92.88867	1.4
93.07043	7.1
95.04974	10.7
95.08640	9.5
96.08937	3.8
97.02905	3.7
97.10186	1.7
98.20785	3.6
103.05473	9.7
105.03404	39.8
105.04505	2.2
105.07041	7.9
107.04955	6.7
107.08631	3.6
109.06547	2.1
109.10168	5.2
115.05467	4.6
117.07035	10.9
117.80220	1.7
119.08598	19.5
121.06501	4.1
121.10181	2.0
123.11705	2.5
127.03944	1.9
128.06261	3.9
129.07021	14.3
131.04953	18.6
131.08563	10.0
133.06506	4.6
133.10135	5.9
135.08069	3.3
141.07007	1.7
142.07761	6.0
143.08585	10.2
145.05023	3.8
145.06456	9.1
145.10103	6.0
147.08066	59.3
148.08453	1.7
149.09634	13.0
155.08571	4.4
156.09348	7.1
157.06522	2.1
157.10143	38.0
159.08078	19.0
159.11703	16.8
161.09651	10.7
163.06036	5.8
163.07549	7.4
167.08620	2.0
169.10106	14.5
171.08122	2.7
171.11707	34.5
173.06017	4.1
173.09647	9.1
173.13266	4.4
175.07582	25.3
175.11266	1.6
177.09126	2.7
179.08572	2.3
181.10109	5.7
182.07346	1.8
183.08179	1.8
183.11711	21.7
185.09657	6.6
185.13254	1.8
187.07523	2.6
187.11201	8.9
191.10706	2.0
193.10197	2.9
195.08086	2.4
195.11745	3.1
197.09607	7.3
197.13373	2.4
199.11208	14.8
201.09180	3.3
201.12689	1.5
203.10645	3.1
207.11584	3.9
209.09625	1.8
209.13264	2.2
211.11121	3.2
213.09085	2.7
213.12752	1.7
215.10667	5.0
217.12228	6.3
219.11783	2.0
220.12511	2.5
221.13266	3.1
223.11128	3.4
223.14821	1.6
225.12737	1.6
227.10629	9.4
229.10287	2.6
229.12210	8.4
231.13814	13.6
233.15416	3.2
235.11176	2.9
237.12686	2.9
239.23714	4.8
240.24088	4.3
241.12321	2.6
243.13850	2.2
245.11633	2.4
249.12614	2.0
256.12509	1.9
257.13467	1.7
259.13223	8.1
261.12756	2.2
263.14313	2.1
269.13284	2.5
270.14276	2.1
271.14951	2.2
275.14322	1.9
277.14291	2.6
283.11044	2.3
285.12863	3.1
285.16318	2.4
297.12689	3.6
298.13705	2.2
299.14227	4.8
300.15103	2.3
303.17490	6.6
313.15756	7.2
313.27402	25.9
314.27719	28.7
315.17407	7.0
317.18878	3.5
327.17410	5.3
329.18970	3.4
331.16931	13.0
331.28418	11.8
332.28757	13.5
333.18439	1.9
345.14749	1.7
345.18533	7.6
355.16876	3.2
359.16208	2.6
373.18073	10.8
377.21021	2.1
387.19501	5.0
389.20990	7.6
391.19211	1.8
401.17407	5.2
405.20667	22.9
407.22168	4.3
415.19073	1.8
419.18649	3.7
423.21603	4.0
433.20181	19.6
436.22067	3.1
451.21082	7.0
533.25507	2.9
555.23779	1.7
559.22833	2.4
573.24683	10.2
581.24170	1.6
609.88641	1.6
641.26434	16.2
655.29071	21.8
673.29871	39.8
673.40912	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.8
51.02389	1.6
53.03947	5.2
55.01663	0.6
55.01880	7.3
55.05510	1.8
60.90670	0.5
65.03938	1.0
65.19224	0.5
67.05507	2.5
69.03431	5.0
69.07071	2.8
69.22095	4.9
69.24484	0.5
71.05009	0.7
77.03944	2.3
79.05508	6.4
81.03418	5.8
81.07073	3.1
83.04985	3.5
85.06523	0.6
88.94166	0.5
91.05492	17.3
93.07053	5.2
95.01370	0.6
95.04979	11.4
95.08625	2.3
97.06512	0.7
103.05482	3.6
105.03399	100.0
105.04547	4.0
105.07039	10.8
105.07751	0.6
107.04973	3.8
107.08590	3.6
109.06520	1.6
109.10120	0.7
115.05474	5.7
116.06229	2.1
117.07035	11.2
119.04928	0.8
119.08588	14.8
121.06535	2.8
121.10148	3.0
123.08099	0.7
128.06244	4.7
129.07007	11.6
129.07913	0.9
130.07767	2.7
131.04929	5.5
131.08568	11.9
132.05804	0.8
133.06509	1.8
133.10141	10.3
135.07224	0.6
135.08028	3.2
141.07002	2.4
142.07777	5.3
143.08557	9.7
144.05653	0.9
145.06499	10.3
145.10141	8.7
146.07228	0.6
147.08057	34.5
147.11658	1.5
149.09618	2.1
153.07014	1.1
154.07822	1.2
155.06056	1.4
155.08575	3.7
156.09360	8.6
157.06519	1.5
157.10141	15.1
158.07263	1.5
159.08069	20.2
159.11679	2.9
161.06030	1.0
161.09633	18.6
161.13301	0.6
163.07555	4.3
163.11151	0.9
165.07054	2.3
166.07785	0.8
167.08548	2.0
168.09435	1.3
169.06482	0.7
169.10138	6.5
170.07243	0.8
170.10910	3.8
171.08086	6.7
171.11700	24.4
172.08835	0.9
173.06026	4.1
173.09637	12.2
173.13269	1.8
175.07558	11.3
175.11230	2.5
179.08592	2.5
179.10690	0.6
180.09325	1.5
181.10161	3.5
182.10942	1.1
183.08093	2.2
183.11713	10.0
184.08838	1.3
185.09634	8.7
185.13264	14.4
186.27959	0.6
187.07616	0.9
187.11166	4.1
189.09102	1.8
191.10735	1.8
192.09381	0.9
193.10109	3.3
193.11928	0.6
194.10924	0.8
195.11690	5.4
196.09000	0.7
196.12332	0.6
197.09624	4.1
197.13258	3.3
198.10432	2.2
199.07584	0.8
199.11206	9.0
200.11925	3.3
201.09180	2.6
201.12787	1.8
203.10634	1.4
204.09395	0.8
205.10168	1.5
205.12080	0.7
206.10901	1.4
207.11742	2.5
208.12457	0.9
209.09636	2.5
209.13237	3.1
211.11136	3.5
213.09201	2.1
213.12747	14.4
215.08737	1.0
215.10728	2.6
215.14409	1.0
216.09334	0.7
217.08563	3.1
217.10367	1.0
217.11980	3.0
218.10953	0.9
219.08217	1.0
219.10199	1.8
219.11810	1.8
220.12480	1.7
221.09576	1.5
221.13277	2.2
222.13950	0.8
223.11142	4.4
224.11819	0.7
225.09151	1.2
225.12781	2.3
227.10722	1.7
229.10167	1.5
229.12274	4.7
230.10931	1.8
231.08153	0.9
231.11748	1.7
231.13803	20.7
232.08893	0.7
232.12427	1.2
233.09583	1.0
233.13359	2.0
235.11246	1.3
235.14816	1.3
237.12738	2.8
239.10742	2.2
241.12257	6.8
242.10855	0.9
243.11707	2.0
243.13808	1.1
244.12454	1.7
245.09587	1.2
245.11780	3.4
246.10452	1.3
247.11208	1.7
247.14964	1.2
248.12074	0.7
249.12860	1.7
249.16472	1.0
251.10715	2.6
251.14462	1.1
254.10918	1.0
255.11606	1.1
256.12415	0.7
257.13309	2.3
258.14032	0.9
259.11102	1.6
259.13275	15.5
260.11856	1.3
261.09079	0.7
261.12772	2.5
261.16473	0.7
262.13568	1.0
263.14395	1.4
265.12280	1.1
267.14078	0.8
268.12592	0.7
269.13245	2.3
270.10211	0.7
270.14197	1.1
271.11252	2.0
271.14847	2.3
272.11960	1.4
272.15491	0.9
273.12720	2.7
273.16165	0.5
274.13428	0.8
275.14307	2.4
276.14822	0.8
277.12338	1.0
277.15970	0.8
279.10214	0.9
279.13928	1.4
281.12885	1.0
282.10571	0.8
283.11194	2.3
283.14868	1.6
284.12051	0.7
284.15573	1.2
285.12814	1.8
285.16388	1.6
286.13498	2.6
287.11411	0.7
287.14307	3.1
287.17319	0.7
288.15186	1.2
289.12442	1.2
289.15784	1.9
291.13757	0.9
297.12579	4.1
298.13577	1.5
299.10959	0.7
299.14346	2.6
299.17575	1.0
300.15042	1.6
301.16025	3.5
302.16644	0.9
303.13812	1.8
303.17496	1.6
304.14777	0.7
311.14246	2.9
312.15201	3.0
313.12268	1.4
313.15936	3.4
314.13016	1.0
314.16751	0.9
315.14163	0.8
315.17343	3.5
317.15454	1.2
317.19006	2.9
326.16666	1.3
327.13916	1.3
327.17398	6.8
328.14685	1.0
328.18240	1.7
329.15396	4.9
329.18713	0.8
331.16931	1.3
331.20596	1.4
339.13760	1.4
339.17358	0.8
341.18967	4.9
345.14865	1.3
345.18564	4.9
347.16455	2.5
354.15924	1.0
357.14801	0.9
357.18695	2.7
359.20093	5.1
363.19626	0.8
369.18506	8.0
375.19592	5.8
377.21149	7.3
387.19568	26.3
388.19778	1.2
397.20160	1.1
405.20636	25.2
406.21014	1.4
423.21841	2.0
437.23648	0.7
447.21680	4.1
465.22809	7.9
491.23990	2.5
500.46515	0.7
509.23376	1.8
527.24634	0.8
533.25189	1.0
551.26563	4.0
569.25195	1.7
637.27240	0.7
655.29211	7.0
673.29352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.5
51.86670	0.4
53.03944	2.0
55.01881	3.1
55.05515	2.4
57.07056	0.4
60.54314	0.4
62.21979	0.4
63.10948	0.4
64.03871	0.5
65.03925	0.4
67.05487	1.8
69.03419	0.9
69.07057	1.6
72.08138	0.9
77.03938	1.1
79.05508	3.9
81.03414	1.9
81.07047	1.8
83.04983	2.9
91.05491	6.3
93.07063	2.7
95.04971	3.6
95.08616	0.9
97.06508	0.4
97.10165	0.5
98.21594	0.8
102.04700	0.4
103.05475	44.7
105.03389	0.6
105.04509	1.0
105.07056	4.8
107.04961	1.4
107.08595	1.9
109.06552	1.0
109.10183	0.8
115.05475	1.4
117.07021	5.0
119.08590	6.1
120.08998	0.5
121.06477	1.0
121.10168	1.1
123.08012	0.6
124.15587	0.4
128.06224	1.7
129.07008	4.1
130.07822	0.7
131.04938	100.0
131.08601	3.0
131.17097	0.4
132.05318	1.4
132.98294	0.4
133.06508	1.5
133.10153	4.0
135.08081	1.4
141.06984	1.1
142.07776	2.4
142.19800	0.5
143.08595	3.8
144.05708	0.6
145.06480	4.7
145.10130	3.7
147.08057	12.3
147.11719	0.7
149.09654	1.8
153.07013	0.6
154.07803	0.9
155.08582	1.5
156.09399	2.6
157.10126	6.3
158.07358	0.6
159.08083	7.0
159.11722	1.8
161.06030	1.1
161.09636	6.7
163.07549	0.9
167.08571	0.9
169.10170	2.5
170.10933	1.8
171.08105	2.3
171.11700	9.7
172.12262	0.4
173.06067	1.6
173.09619	4.2
173.13303	0.7
175.07562	2.7
175.11261	1.0
177.09094	0.6
179.08472	0.7
181.10162	1.0
183.08063	0.8
183.11685	4.6
184.08891	0.6
185.09650	3.7
185.13281	4.8
186.10001	0.5
187.07603	1.1
187.11183	1.4
189.09189	1.1
191.10796	0.9
192.09370	0.7
193.10136	0.9
195.08015	0.5
195.11742	2.0
196.12357	0.5
197.09729	1.8
197.13248	1.3
198.10385	0.6
199.11180	3.7
200.12035	1.7
201.09172	0.8
201.12891	1.0
205.10262	0.6
207.11789	1.4
208.12488	0.5
209.09741	1.2
209.13237	0.5
211.11317	1.5
213.08966	0.5
213.12706	4.3
213.14481	0.4
214.13255	0.5
215.10742	1.1
217.08551	0.9
217.10445	0.6
217.12338	1.5
219.11893	0.9
221.13254	0.9
223.11351	1.2
223.14955	0.5
225.09206	0.5
225.12599	0.7
227.10771	1.4
229.10240	0.6
229.12369	1.4
231.11777	1.1
231.13803	4.3
233.13278	0.8
239.10876	0.9
241.12343	1.8
243.11748	0.7
243.13904	0.7
244.12338	0.6
245.09625	0.9
245.11893	1.6
245.15489	0.7
246.14130	0.5
247.14975	0.7
248.12003	0.6
259.13220	5.2
261.13007	0.8
263.14301	0.9
269.13220	0.7
271.11304	0.5
271.14868	0.7
272.11960	0.7
273.12848	0.8
273.16257	0.9
275.14453	0.6
277.12244	0.6
283.11356	0.5
283.14914	0.8
284.15668	0.5
285.12701	0.9
286.13635	0.8
287.14435	1.2
288.14951	0.6
289.12543	0.5
296.12109	0.5
297.12921	1.4
297.16275	0.5
298.13690	0.6
299.14343	1.2
301.15988	1.0
302.16690	0.5
303.13989	0.8
311.14349	0.7
312.11661	0.5
312.15182	0.9
313.12210	0.5
313.15970	1.2
314.13251	0.6
315.17444	1.3
317.19113	1.0
319.15921	0.5
325.12265	0.5
326.16965	0.5
327.13983	0.8
327.17725	1.5
328.14627	0.7
328.18268	0.8
329.15506	1.1
329.19131	1.2
331.16925	0.8
331.20493	0.5
341.19083	0.7
345.18710	1.3
346.19440	0.5
347.16614	1.1
357.18790	1.2
359.20157	1.7
369.18600	2.4
375.19562	2.3
377.21167	2.2
387.19632	7.9
405.20648	8.2
421.19785	0.5
423.21808	1.6
447.22134	1.9
453.21841	0.7
465.22827	3.1
483.24121	0.7
507.24731	0.5
525.24963	3.4
595.25745	1.3
605.24292	0.5
609.23822	0.5
613.26855	1.4
623.25311	0.8
639.24927	1.0
641.26044	6.4
655.29956	2.0
673.30194	33.5
674.30066	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01872	3.2
55.05505	5.3
58.41999	1.8
67.05491	2.1
69.03432	2.1
70.39568	1.5
71.56215	2.0
71.56544	1.6
79.05498	4.6
81.03428	5.4
81.07063	3.9
81.13708	1.5
83.04987	8.3
91.05476	12.3
93.07025	3.6
95.05000	7.4
95.08599	2.7
97.06543	1.6
99.02138	1.3
103.05476	43.2
105.07037	10.8
107.04932	2.8
107.08588	3.1
109.06490	2.1
109.10164	1.6
115.05486	3.1
117.07031	7.4
119.08590	10.4
121.10146	2.1
128.06238	3.9
129.07039	8.7
131.04936	100.0
131.08568	7.0
133.06511	2.5
133.10127	6.8
135.08118	2.8
141.06999	3.2
142.07793	4.0
143.08575	8.2
145.06516	6.2
145.10139	6.6
147.08054	26.3
149.09634	2.3
150.09727	1.5
153.07034	1.8
155.08603	4.7
156.09431	3.1
157.06487	2.1
157.10158	11.4
158.07341	2.3
159.08060	12.9
159.11687	3.4
161.06035	4.3
161.09686	8.5
163.07555	23.8
168.09436	1.6
169.10146	4.0
170.10931	1.7
171.08112	4.2
171.11711	18.5
173.09636	10.5
173.13263	2.1
175.07550	9.3
179.08591	2.4
181.10127	2.0
183.08098	1.7
183.11710	14.1
185.09631	7.8
185.13206	10.1
187.07544	4.3
187.11143	2.6
189.09154	2.3
193.10217	2.5
195.11705	3.6
197.09634	3.9
197.13336	3.0
198.10503	1.9
199.11192	7.3
201.09068	3.7
203.10596	1.9
207.11758	3.1
211.11298	2.2
212.11702	1.5
213.09119	3.3
213.12746	9.7
215.10785	3.6
217.08534	2.6
217.10410	1.6
217.12254	2.5
217.75298	1.7
219.11781	2.7
223.11169	2.9
225.09052	2.8
225.12834	1.9
227.10710	2.4
229.12224	4.3
230.10898	1.8
231.11650	2.7
231.13713	15.2
241.12161	8.0
244.12555	1.5
259.13257	10.5
286.13214	1.7
300.15097	2.3
315.17377	2.7
327.13730	2.7
327.17465	2.8
329.15390	2.6
341.18924	2.2
345.18469	3.2
359.19986	3.8
369.18372	2.8
375.19470	3.7
377.21155	4.1
387.19614	16.6
405.20703	16.1
423.21786	2.5
447.21429	2.9
454.16373	1.6
463.17563	1.7
465.22733	9.2
497.14661	1.6
507.23361	1.7
511.20154	1.8
523.19366	2.6
525.24713	4.3
541.19995	2.9
623.24182	2.4
655.29022	3.3
673.28436	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	4.9
53.03932	14.4
55.01877	21.3
55.05311	4.4
55.05512	50.5
58.05365	4.0
67.05502	13.1
67.53828	4.9
69.03429	45.8
70.06937	15.7
79.05491	21.1
81.03423	17.0
81.07069	6.4
82.26871	3.8
82.73577	4.4
83.04984	94.1
91.05486	47.9
93.07024	17.4
95.04974	29.5
103.05460	12.6
105.03390	94.5
105.04512	5.9
105.07027	49.5
107.04948	14.2
107.08583	7.0
109.06532	12.3
111.04440	5.1
115.05450	20.6
116.06237	7.9
117.07021	38.6
119.04909	8.8
119.08580	53.7
121.02722	3.9
121.06493	9.6
121.10166	10.5
126.75000	3.9
127.05468	4.8
128.06236	20.9
129.06993	33.5
130.07780	5.3
131.04927	25.0
131.08565	27.9
132.05212	7.1
133.06491	32.3
133.10146	29.7
135.08041	18.2
141.07016	12.9
142.07768	17.8
143.08569	36.0
145.06491	36.9
145.10132	19.1
147.08058	100.0
148.08453	6.6
148.99428	5.6
149.06001	5.3
149.09528	7.2
153.06969	7.9
154.07809	7.4
155.08537	25.2
156.09322	22.0
157.06464	7.2
157.10110	43.3
158.07300	5.5
159.08061	66.2
159.11708	14.6
161.05992	37.4
161.09612	52.8
163.07539	20.4
163.11237	4.9
167.08513	11.1
169.06505	5.5
169.10123	35.8
170.10989	8.6
171.08031	20.1
171.11678	80.6
172.08740	5.5
173.05975	14.0
173.09627	39.1
175.07547	31.5
175.11134	8.7
175.94179	5.2
177.09171	5.3
179.07120	7.4
179.08562	7.4
180.09190	9.6
181.10147	11.9
182.10840	6.2
183.08038	5.4
183.11739	27.6
184.08777	8.9
185.09621	33.1
185.13225	43.8
187.07535	10.0
187.11209	18.5
189.09111	9.8
191.10675	5.0
193.10194	7.2
195.08075	8.0
195.11673	10.3
196.08821	7.8
197.09637	33.1
197.13297	9.2
198.10355	7.3
199.07538	7.1
199.11230	41.5
200.12032	9.3
201.09081	8.9
201.59496	4.4
203.10643	6.1
204.09367	4.9
207.11696	15.1
209.09612	13.0
209.13188	6.4
211.07561	6.1
211.11235	13.9
213.09116	14.6
213.12720	38.6
215.10661	16.6
217.08560	15.6
217.12267	10.8
219.10100	5.6
221.09642	5.5
221.13264	6.3
223.11186	13.4
225.09145	31.0
225.12651	8.3
227.10663	13.4
229.12288	24.5
231.13779	59.2
233.13316	6.4
235.11153	6.8
237.09102	5.1
237.12766	5.6
239.10732	10.9
241.08498	10.5
241.12196	22.3
242.10876	6.6
243.10030	12.2
245.11795	13.4
256.12521	7.6
257.08002	13.5
257.11697	9.6
259.11026	7.1
259.13248	42.0
263.14374	5.6
268.38773	4.8
271.11118	5.3
272.12134	7.9
273.12814	8.5
275.14322	8.3
279.13815	6.2
286.13367	5.4
287.14514	10.8
289.12292	5.6
293.12393	4.8
297.12506	6.6
299.10718	5.1
301.10675	6.6
301.15775	11.0
311.14185	7.9
312.14938	7.9
313.15732	10.2
315.17316	7.6
327.17377	14.0
329.15335	17.9
331.16971	11.3
333.18524	5.0
339.13412	5.0
341.18835	11.0
345.18433	10.3
347.16299	8.6
354.16183	5.0
357.14581	9.5
359.20084	9.2
369.18576	21.7
375.19534	15.8
377.21033	18.9
385.14294	8.0
387.19617	67.0
403.15179	11.8
405.20557	75.4
417.17056	5.2
423.21396	7.9
445.17267	14.2
447.21814	12.5
451.17493	9.1
463.17621	26.4
465.22711	22.5
473.22943	6.9
481.18384	20.4
510.93857	5.0
533.25684	6.0
551.22687	8.8
563.22607	18.8
581.23676	20.0
655.28680	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	673.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70595	2.4
55.05491	4.1
57.07045	2.8
63.19883	2.2
67.05500	11.9
69.07066	3.5
71.52805	2.5
71.55114	4.6
75.49161	2.7
79.05507	7.5
81.03425	6.5
81.07053	10.9
83.08655	3.1
89.06011	2.4
91.05495	10.1
93.07031	6.9
95.08631	6.3
97.10181	2.7
105.07055	6.6
107.04927	2.8
107.08621	5.1
109.06470	3.0
119.08620	4.3
121.10175	4.5
131.08539	2.6
132.08141	2.9
133.08624	3.4
133.10118	3.8
145.10162	4.3
147.11720	3.7
156.26294	3.0
159.09201	6.4
159.11687	3.6
161.06030	3.6
208.11362	2.8
209.10661	3.5
211.48267	3.2
223.12415	4.6
224.12932	3.0
225.13925	7.5
231.08102	3.3
235.12489	3.2
236.14456	2.7
237.13940	11.8
238.14697	9.7
239.15437	6.5
253.17010	8.3
276.14899	3.5
291.19629	5.0
313.16730	2.7
314.16483	3.0
316.18115	4.3
326.16315	3.0
328.18671	3.4
342.19925	4.7
351.17007	3.1
381.21255	4.2
382.18152	5.5
391.19193	4.3
396.19589	3.8
406.17957	4.0
409.20276	5.0
410.21359	3.1
419.18646	4.7
421.20215	4.1
423.21906	9.4
437.23431	3.7
438.20984	3.6
448.19189	10.5
449.23950	3.6
453.23026	3.2
461.23505	6.2
462.20288	4.1
466.19733	3.9
468.24875	3.9
479.21506	3.0
480.21500	13.3
509.25690	6.0
510.25546	2.9
512.24445	3.0
519.23798	4.9
525.28729	4.6
526.25952	4.0
527.26422	4.2
541.28259	4.9
551.26349	4.1
554.25305	6.0
569.27197	14.6
577.24292	7.3
579.25714	3.0
586.28479	3.7
587.28656	7.0
594.24774	20.7
595.25476	86.4
596.26117	3.8
597.27246	3.6
601.30078	7.6
605.24072	10.4
609.27100	51.9
611.28625	24.0
612.26794	11.2
613.26440	4.6
614.27386	7.1
623.25171	10.3
629.29712	97.7
630.29608	3.7
631.27478	9.6
637.26843	18.0
655.27765	26.2
673.28717	100.0
673.43091	9.7
674.28442	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	673.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.7
55.05501	0.8
58.25542	0.8
67.05494	2.5
69.07088	1.0
69.19408	0.7
70.74879	1.8
70.83466	0.8
73.43261	0.7
79.05507	1.2
81.07053	1.6
91.05495	2.1
93.07050	2.0
95.08624	1.0
105.07040	1.7
107.04990	0.8
109.10168	1.7
117.07005	1.6
119.08537	0.8
121.10149	0.9
129.07025	1.1
131.08585	1.1
133.10165	1.6
135.57127	0.9
147.08093	0.8
172.07611	1.3
179.52946	0.7
183.09264	0.8
184.07417	2.9
196.09967	1.2
197.10835	1.0
210.11488	1.7
211.08742	1.4
211.12445	1.4
212.09499	1.0
223.08740	2.1
224.09448	2.8
224.12932	1.0
225.10350	4.2
225.13829	5.1
226.10991	1.4
227.08203	3.4
227.11781	1.3
235.08720	1.1
237.10310	2.6
238.11002	2.3
239.08209	2.2
239.11804	6.1
240.12636	2.4
241.09785	2.0
241.13397	2.8
251.08192	1.0
251.11913	2.7
253.09700	2.8
253.13365	28.2
265.13538	1.1
267.07870	1.0
269.09094	1.5
280.00140	0.8
281.09232	2.6
283.10901	1.2
288.11386	1.0
295.11127	1.1
304.10815	0.9
309.08826	2.2
313.12042	2.5
314.12784	2.1
316.11163	1.3
328.10742	1.3
329.15524	0.9
341.11539	0.9
342.12445	1.7
343.13171	0.8
356.13943	1.2
358.11966	1.0
359.12537	1.1
360.13309	1.5
372.13193	1.8
372.17157	3.2
374.14908	5.5
384.13467	0.9
388.16681	3.5
389.17474	7.1
393.13629	1.2
400.16565	7.0
404.19751	17.2
406.14810	0.7
408.16415	1.4
409.16779	1.6
416.16168	1.2
421.12997	3.1
422.13571	1.5
423.14426	1.1
432.19385	5.8
435.14490	1.4
436.15201	0.9
437.15759	4.1
449.16257	2.8
451.17664	5.6
453.19601	0.8
460.19019	3.9
463.18097	1.3
465.23462	1.5
466.19876	1.8
467.20959	3.0
474.17059	1.8
475.21277	2.4
477.15366	1.1
479.21246	1.0
481.22586	1.7
489.19315	1.2
490.19302	0.8
491.20688	2.6
492.21371	37.4
493.17853	2.1
493.22714	3.0
494.20096	1.0
495.20633	1.1
497.18683	1.3
503.20950	4.1
506.20209	1.6
507.20590	7.0
511.20126	2.8
521.22089	6.0
522.21948	1.3
525.21490	1.3
531.20239	2.3
535.23077	1.2
539.23364	6.4
549.21173	8.9
553.24310	3.8
554.24915	1.2
563.22772	2.5
565.24689	1.5
580.24036	1.3
581.23956	10.6
585.27826	0.8
591.22443	3.5
595.25848	1.2
609.23566	1.6
611.21686	1.1
613.26599	42.1
614.27081	2.1
623.24390	7.9
641.26031	100.0
642.26276	2.7
655.27490	4.1
673.28656	27.3
673.41266	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01861	3.6
55.05511	29.0
57.03441	14.3
57.07077	36.1
65.03930	3.1
67.05505	51.3
69.03424	2.2
69.07068	18.5
69.45287	1.4
70.85289	3.3
71.04968	2.2
71.08630	26.2
79.05495	30.1
81.03460	2.0
81.07061	37.9
83.05005	2.7
83.08618	20.1
85.06517	1.6
85.10177	16.9
89.06039	3.5
91.05483	23.1
92.05804	1.5
93.07046	33.7
95.04965	7.1
95.08610	37.5
97.06526	10.0
97.10172	23.2
103.07579	1.7
105.04509	1.4
105.07038	17.6
107.04968	2.5
107.08608	19.3
109.06521	8.5
109.10157	61.3
111.08081	5.1
111.11733	1.6
114.76051	1.3
115.05381	1.6
117.07035	10.5
119.08582	29.4
121.06522	2.7
121.10152	11.0
123.08066	35.1
123.11694	5.9
125.09619	15.7
128.06241	1.9
129.06975	2.8
131.08548	10.7
133.06506	2.7
133.10109	9.2
135.08064	10.1
135.11687	4.5
137.09616	22.9
137.13313	1.5
139.07536	1.6
142.07718	2.0
143.08569	6.4
145.06465	2.9
145.10123	10.6
147.08052	7.5
147.11673	5.1
149.09644	6.2
149.13176	2.4
151.07565	9.5
151.11215	1.7
153.09109	2.1
155.08560	4.4
157.10156	8.7
159.08083	9.1
159.11679	8.5
161.09630	5.8
161.13249	1.5
163.07535	2.6
163.11110	2.1
165.09190	1.9
169.10149	3.5
171.10297	1.6
171.11699	2.1
173.09625	38.5
173.13286	2.6
175.11182	3.4
177.09189	1.7
185.09625	1.4
187.11182	1.7
189.11229	6.2
189.12724	1.5
193.12199	1.9
197.13254	2.1
199.14815	4.2
201.12820	1.4
211.11255	1.4
215.14005	1.6
215.17921	2.0
217.15828	3.8
225.16347	3.9
227.12683	14.2
235.16934	2.9
239.16414	4.4
239.23679	3.1
243.17534	6.9
245.15393	5.9
253.15811	5.9
257.24792	1.5
260.21146	1.6
261.18521	13.7
263.16415	17.9
271.16934	20.0
289.17996	30.2
290.45746	1.5
307.19095	15.1
313.27362	100.0
314.27643	2.4
319.19122	1.7
335.22205	2.6
337.19983	5.7
345.20575	15.5
363.21637	20.1
381.22711	36.3
418.97067	1.5
460.96857	1.4
483.36630	3.6
505.38602	2.4
573.44830	6.6
575.42993	13.6
580.87231	1.4
583.43134	4.3
593.44360	9.9
601.44611	43.5
619.45697	83.9
620.45569	3.3
637.47076	7.5
672.48529	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	672.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01866	1.9
55.05272	1.6
55.05517	20.4
57.03435	3.1
57.07079	13.6
61.02931	5.0
67.05509	15.6
69.03428	2.3
69.07063	6.3
69.46719	5.7
69.47147	4.7
71.04993	3.3
71.08635	8.2
73.02882	1.8
79.05478	12.4
81.03421	7.6
81.07059	37.4
83.04492	2.1
83.04984	31.4
83.08611	5.6
85.02905	7.7
85.06506	2.0
85.10183	4.6
91.03948	5.7
91.05484	14.8
92.03884	1.5
93.07060	14.4
95.04978	9.2
95.08607	19.0
97.02892	3.0
97.06525	3.2
97.10141	3.3
99.08080	1.8
100.20176	1.5
105.03395	5.7
105.07042	17.3
107.04966	3.1
107.08591	15.2
109.06512	12.3
109.10172	11.8
111.04485	1.7
111.08106	2.3
115.05566	1.5
117.07025	6.2
119.08576	19.2
121.06535	3.8
121.10152	6.0
123.08091	5.5
123.11739	6.0
125.09640	1.5
125.78246	1.5
127.03923	2.0
128.06148	2.0
129.07011	6.5
131.04958	3.1
131.08586	11.2
133.06537	2.4
133.10143	11.7
135.08066	5.9
135.11694	5.4
137.09636	3.7
137.13318	2.1
139.51450	1.7
141.06976	2.5
142.07788	2.9
143.08568	11.5
145.06529	2.7
145.10121	12.7
147.08060	10.9
147.11708	8.3
149.09619	11.9
151.11177	3.7
155.08566	5.1
156.09325	2.6
157.10141	23.2
159.08044	5.4
159.11717	14.9
161.09612	7.4
161.13274	3.8
163.06068	3.6
163.07492	3.7
163.11252	3.0
167.08542	2.6
169.10126	6.5
171.11707	14.7
173.09663	5.4
173.13228	7.3
175.07581	3.5
175.11198	4.9
177.12700	1.8
179.08569	2.3
181.10101	2.4
183.11691	13.1
185.09686	1.8
185.13246	8.3
187.11232	3.2
187.14836	4.1
189.12781	4.6
194.49461	1.7
195.11768	2.9
197.09666	3.0
197.13300	4.0
199.11176	4.6
201.12714	7.8
201.16373	2.0
203.14333	4.7
207.11746	4.4
209.13292	3.4
211.14795	6.1
213.12657	2.1
213.16298	2.4
215.14354	3.6
221.13217	3.4
223.14954	3.1
225.12747	2.8
225.16437	4.2
227.14531	2.2
227.17944	21.9
229.15872	3.5
235.14806	2.2
237.12840	2.6
239.23694	5.3
241.15862	3.3
243.17427	3.4
245.18961	7.5
263.14252	1.8
267.17520	2.2
269.19043	6.2
283.86600	1.9
287.20084	17.3
295.20660	1.9
307.20407	3.2
309.22079	4.6
313.15778	2.0
313.27362	32.1
325.21674	3.5
327.23254	4.3
331.16907	2.1
331.28369	14.2
335.23541	3.9
336.26276	2.7
349.25150	4.6
351.23190	6.5
353.24820	2.0
356.14603	1.8
367.26276	2.3
377.24741	12.7
395.25839	32.6
405.20969	3.7
433.19904	2.2
440.31525	2.9
449.30389	7.2
467.31586	6.2
477.29788	3.3
490.09860	1.5
495.31049	100.0
496.31577	2.5
502.99503	1.7
540.36694	1.9
573.24481	1.8
612.42383	8.5
614.61072	1.6
636.39465	4.5
639.64429	1.9
640.27966	2.3
641.27386	2.2
654.40643	2.6
655.29053	2.2
672.42413	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01864	2.4
55.05270	0.8
55.05517	10.5
57.03448	3.1
57.07083	31.9
57.14535	0.4
61.02644	0.7
61.02932	11.3
65.03924	0.6
67.05175	0.7
67.05508	9.7
69.03418	2.2
69.07072	7.5
69.33668	2.0
69.34088	2.4
71.04956	0.6
71.08638	27.8
73.02923	4.7
75.04475	1.3
79.05511	2.6
79.72110	0.5
81.03445	3.1
81.07066	15.4
83.04989	13.3
83.08627	11.0
85.02911	15.2
85.06530	0.8
85.10191	16.1
89.06020	1.0
90.26146	0.5
91.03967	14.2
91.05486	4.1
93.07040	1.8
95.04986	2.5
95.08617	22.7
97.02903	7.5
97.10178	5.3
98.20707	0.8
99.04445	0.9
99.11737	0.8
101.06038	1.0
102.48054	0.5
103.05460	1.1
103.07545	0.7
105.03374	0.8
105.07047	2.6
107.04954	1.4
107.08584	1.0
109.02881	0.9
109.06508	0.9
109.10172	11.2
110.87616	0.6
111.11722	1.8
115.05478	1.9
117.07025	3.7
117.09164	0.6
119.08600	5.6
121.06530	0.7
121.10171	0.6
123.11723	4.9
125.13299	0.8
127.03925	5.3
128.06219	0.9
129.07018	2.7
131.04938	4.5
131.08589	2.6
133.06494	0.8
133.10153	1.3
135.08029	0.6
137.13289	2.9
142.07800	1.0
143.08575	1.9
145.04999	7.4
145.06494	4.4
145.10141	2.9
147.08057	11.4
149.09615	2.3
151.14886	0.8
153.07074	0.6
155.08545	1.0
156.09377	1.0
157.10107	4.5
159.08066	6.3
159.11687	4.5
161.09633	3.7
163.06026	13.9
163.07544	7.5
165.16438	0.6
169.10129	3.9
170.10974	0.9
171.08046	0.9
171.11690	4.1
173.06001	0.9
173.09599	4.2
173.13303	1.2
175.07491	2.6
183.11703	6.0
185.09630	1.3
185.13293	3.4
187.11127	2.6
189.09161	0.7
195.11772	1.3
197.09634	1.4
197.13364	0.6
199.11160	2.3
201.09114	2.3
201.12764	2.8
206.33438	0.6
207.11684	1.0
209.09692	1.0
209.13353	0.9
211.11237	1.4
213.12744	1.3
215.10753	1.0
217.12242	0.7
219.11662	0.6
221.13269	1.5
221.22658	1.1
223.11226	1.1
223.14795	0.6
225.12767	0.7
227.10603	1.1
229.12299	4.2
232.36755	0.5
233.13271	0.7
233.15349	1.4
235.14908	0.6
237.12746	1.3
239.23721	20.0
243.11688	1.0
243.13896	1.2
244.12381	0.7
249.12752	0.8
251.14342	0.8
253.13426	0.6
255.13983	0.7
257.11469	0.6
257.24796	4.4
259.13184	0.9
261.14941	2.0
265.15915	0.6
273.12637	1.0
285.12814	0.9
286.13470	0.6
287.14325	0.9
298.27316	0.6
299.14337	1.0
300.14987	0.5
301.16019	0.7
303.17282	0.7
313.27386	100.0
314.27698	2.3
315.14258	0.6
315.17459	3.6
325.15948	0.8
329.19037	2.5
331.28448	48.6
332.28833	0.9
333.18469	1.7
343.16891	1.1
345.18326	0.6
347.20267	0.9
357.18634	2.7
361.18011	0.8
373.17874	0.6
375.19574	2.4
385.18204	0.8
389.21097	4.3
403.19086	1.6
405.20618	1.4
407.22305	3.6
417.20715	3.8
433.20001	0.9
435.21793	6.5
475.32532	0.8
495.23642	1.5
535.26752	1.1
613.31085	1.5
641.26044	0.8
655.30920	0.6
672.41339	1.2
673.29730	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67432	2.7
53.03957	4.6
55.01863	8.1
55.05305	2.9
55.05519	31.1
57.03422	2.4
58.67370	2.4
67.05503	12.7
67.06308	2.3
68.04995	3.3
69.03448	15.7
69.07063	5.2
70.06600	15.2
71.04974	6.5
71.55627	3.9
79.05495	17.6
81.03446	4.3
81.07053	18.6
82.02949	8.5
82.07362	2.7
83.04993	42.0
83.49506	2.6
84.05298	3.2
86.06078	26.3
87.04467	6.7
91.05489	20.9
93.07050	20.1
94.06576	3.6
95.04972	10.7
95.08608	11.4
96.08124	11.1
98.06062	67.7
103.05473	17.7
105.03381	7.3
105.07028	27.7
107.08630	16.1
109.06526	5.7
109.10161	3.5
115.05434	7.3
117.07047	24.0
119.08583	35.9
120.08971	3.0
121.06477	4.1
121.10126	10.3
122.06046	12.5
124.07606	56.4
126.05520	3.7
128.06245	4.6
129.07002	12.4
130.07751	3.3
131.04942	36.8
131.08559	33.3
133.06516	8.9
133.10146	20.8
134.10553	2.5
135.08060	5.7
135.11734	4.1
140.07077	48.0
141.06975	5.0
142.07793	13.8
143.08592	28.8
144.09380	5.3
145.06470	7.9
145.10141	49.3
147.08060	7.5
147.11687	9.5
149.09607	4.5
150.05487	12.5
150.09143	3.9
152.07076	7.2
153.07014	5.6
155.08553	17.8
156.09378	20.0
157.06546	4.7
157.10144	50.4
159.08092	9.5
159.11734	24.6
161.06013	8.5
161.09605	6.2
162.06430	2.7
165.07011	7.0
167.08586	8.0
168.06569	97.5
168.09360	8.5
169.10144	40.6
170.10835	8.2
171.08087	6.8
171.11671	42.0
172.12032	3.3
173.09657	16.3
173.13243	8.8
175.07509	4.0
175.11282	3.8
176.10637	3.5
177.09154	5.7
179.08572	5.7
181.10158	13.7
182.10898	10.9
183.11705	100.0
184.12065	7.5
185.09686	5.3
185.13269	33.6
187.11153	7.4
187.14842	6.7
189.12747	3.3
193.10165	6.9
194.10829	5.6
195.11714	23.9
196.12245	3.6
197.09546	5.6
197.13281	37.8
199.11131	15.2
199.14832	5.6
201.12674	6.2
202.12321	3.5
205.10262	3.6
205.12218	3.3
206.10828	3.3
207.11720	12.7
207.13475	3.1
208.12411	6.5
209.09804	3.2
209.13255	15.5
211.11192	5.9
211.14851	7.7
213.12706	21.1
214.12451	9.1
215.10709	2.6
215.14325	9.0
216.13867	6.1
217.10025	3.3
218.11816	5.5
219.11789	4.1
220.12456	5.3
221.13176	15.5
222.13840	3.7
223.11163	5.3
223.14795	8.5
225.12715	6.5
225.16357	4.8
227.10748	2.9
229.10130	4.5
230.11589	3.7
230.15466	5.2
231.11749	5.1
231.13808	9.7
232.12590	5.7
233.13252	10.1
234.13974	5.2
235.14816	12.7
237.16394	3.3
242.11710	3.3
243.11563	3.2
244.13286	3.7
245.13272	5.9
245.15408	4.4
247.14845	9.9
248.12630	3.0
249.12593	4.1
249.16353	8.4
253.15968	4.8
256.12976	3.5
257.13232	4.7
258.14859	5.3
259.14890	6.8
260.12762	5.7
260.15564	4.7
261.16483	5.7
262.14249	4.2
263.14310	3.2
263.17953	5.5
271.14645	4.7
273.16821	3.5
274.13840	3.1
275.17944	3.6
276.15921	23.5
277.19571	10.6
285.16370	4.8
287.14398	5.2
287.17905	7.2
289.19376	15.5
297.16348	3.7
303.17270	4.1
305.11560	2.8
307.20471	8.4
313.15765	4.6
315.17462	4.4
315.20981	3.6
317.15137	4.5
327.21036	3.1
331.16797	7.1
333.18549	2.9
345.22354	5.3
355.20593	6.0
373.21692	7.5
375.19568	3.5
382.23825	3.9
394.23697	3.9
404.19034	2.8
404.24936	4.6
406.23734	3.7
418.23700	6.8
419.18158	3.3
420.25299	6.2
422.26901	6.0
428.26157	15.5
430.27402	8.0
432.25195	4.1
434.20380	3.4
440.26337	4.7
446.27051	66.7
448.28488	5.5
458.26920	42.8
460.27737	4.5
464.28235	12.5
476.21460	4.1
476.27939	57.6
477.19247	6.3
494.29132	36.8
512.30304	35.2
594.34375	3.7
612.34796	8.3
672.37799	3.8
686.38379	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	672.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.5
55.01858	5.1
55.05516	36.0
55.24404	3.9
60.38900	3.5
67.05497	10.7
69.03432	6.2
74.83781	3.3
79.05481	12.1
81.03424	16.1
81.07037	5.9
83.04552	6.2
83.04988	66.1
91.05475	17.0
93.07047	12.5
94.07372	4.2
95.01328	4.4
95.04961	20.9
95.08591	4.9
98.20726	10.4
102.18223	3.5
103.05468	8.5
105.07037	24.6
109.06528	4.1
117.06988	7.3
119.08604	26.1
121.02886	9.2
121.06532	7.6
123.08037	4.4
126.69894	4.2
128.06268	5.4
129.07007	10.9
131.04950	16.3
131.08578	12.0
132.08852	3.8
133.06497	28.2
133.10124	13.3
135.08147	3.7
141.07101	4.0
142.07893	5.0
143.08548	14.3
145.06490	7.4
145.10104	15.6
147.08083	16.6
155.08571	7.9
157.10112	18.4
159.08040	10.8
161.05980	35.4
161.09637	8.4
163.11156	4.2
169.10132	17.0
170.10710	8.6
171.08147	7.0
171.11710	18.4
172.12125	4.7
173.09663	15.8
175.07492	9.3
179.08589	6.8
181.10135	6.8
183.11725	19.3
184.12082	6.8
185.09750	7.3
185.13300	18.5
187.07559	5.7
187.11191	8.3
189.05452	10.4
189.09131	16.7
192.09428	4.4
193.10175	11.4
194.10995	6.5
195.11720	13.7
197.09706	9.9
199.11143	10.4
200.11803	6.6
201.09218	4.5
203.07071	13.6
205.10194	8.0
207.11717	10.2
208.12392	8.2
209.13255	15.0
211.11250	9.2
213.09352	5.5
213.12750	14.7
214.13130	8.4
220.12488	9.4
221.09688	4.0
221.13159	11.1
223.11182	13.9
223.14890	13.0
229.08583	11.5
235.11148	6.9
235.14839	13.9
237.12643	4.9
241.12193	6.8
243.11693	5.5
244.12331	6.9
245.13179	5.5
246.13948	5.4
247.14851	6.8
248.12004	7.6
249.12700	7.0
251.14342	14.7
257.13290	6.4
258.27872	7.4
263.14264	14.7
271.14810	3.6
273.14932	8.3
274.15247	5.6
275.14276	6.6
277.15924	4.5
281.15543	7.6
287.14203	9.1
288.15054	4.9
289.15817	4.0
298.13303	4.3
299.14301	7.8
303.17358	4.7
312.14896	5.5
313.15887	7.2
315.17490	7.2
317.15344	24.9
327.17502	5.8
329.15326	4.6
329.19064	11.3
331.16934	89.5
333.18283	7.5
343.16983	15.3
345.14856	6.1
345.18588	56.5
355.16992	9.8
357.18527	38.0
361.17923	10.4
373.18002	85.3
374.18362	6.0
375.19650	23.7
385.18045	27.0
391.18942	14.7
392.19266	5.0
403.19101	41.7
405.20654	100.0
406.21161	6.0
417.20544	13.3
420.18759	4.6
421.19986	13.4
435.21680	58.5
463.20911	6.1
481.21899	13.9
495.23505	26.0
581.27350	16.9
623.28522	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	672.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01878	5.6
55.05513	16.9
57.03424	3.8
57.07080	34.7
61.02931	15.5
67.05505	9.9
69.03424	2.6
69.07072	6.2
69.99451	0.8
71.05021	0.9
71.08635	29.7
71.54845	1.5
73.02919	4.3
75.04479	2.9
79.05490	4.9
81.03421	6.0
81.07059	18.2
83.04987	28.7
83.08622	12.1
85.02912	16.8
85.10189	17.8
87.04465	1.5
91.03961	16.4
91.05473	9.9
93.07021	2.8
95.04970	5.0
95.08609	24.3
97.02885	8.5
97.10164	6.4
101.06014	1.0
103.05479	2.6
105.07035	4.9
107.04955	2.5
107.08623	1.5
108.85802	0.9
109.10161	12.1
111.11752	1.6
115.03965	1.0
115.05448	4.1
117.07040	8.5
119.08588	13.4
121.06554	1.4
121.10153	2.2
123.11710	5.9
125.13259	1.7
127.03943	4.3
128.06181	2.2
129.07043	7.5
131.04962	4.6
131.08586	6.1
133.06522	1.9
133.10109	3.1
135.08046	2.5
137.13217	2.2
141.07031	1.1
142.07771	1.3
143.08568	4.9
145.04993	7.6
145.06451	8.0
145.10110	5.1
147.08058	25.7
148.45625	1.0
149.09613	4.3
151.14780	1.1
153.07019	1.2
155.08542	2.7
156.09459	2.0
157.10147	8.5
158.07274	1.5
159.08064	10.3
159.11662	10.4
161.09639	8.2
163.06015	15.9
163.07545	15.6
167.08508	0.9
169.10129	5.5
170.10870	1.3
171.08052	1.7
171.11676	6.8
173.06004	2.6
173.09628	9.3
173.13263	2.7
175.07539	5.4
177.09074	1.0
179.08580	1.4
181.08566	1.2
181.10143	1.4
183.10229	1.5
183.11720	14.4
185.09641	2.3
185.13260	8.0
187.11189	5.0
189.09032	1.6
195.07985	1.0
195.11720	1.7
197.09615	3.2
197.13268	1.2
199.11127	2.9
201.09138	3.7
201.12741	4.3
203.10648	1.2
206.10770	1.2
207.11786	2.6
209.09596	1.6
209.13181	1.3
211.11160	4.3
213.12727	2.5
215.10706	1.6
217.12274	1.1
221.13200	2.4
223.11205	2.4
223.93170	1.0
225.12778	1.4
227.10640	2.4
229.12222	5.8
231.13774	2.1
233.15335	2.3
235.11217	1.3
235.14812	1.2
237.12860	1.2
239.23723	22.4
243.13831	3.2
245.15488	1.7
247.15154	1.4
249.12625	1.1
257.24747	4.6
259.10950	1.4
259.13348	3.7
261.12540	1.2
261.14914	4.1
271.13290	1.2
285.12653	2.0
286.13376	1.0
287.14465	1.1
289.14081	1.1
313.15646	2.3
313.27368	100.0
314.16464	1.2
314.27719	1.1
315.14111	1.1
315.17477	6.8
329.18942	5.0
331.17191	2.0
331.28415	53.7
333.18408	3.6
339.17496	1.3
343.16989	2.8
347.19946	1.6
357.18527	5.0
361.18008	1.0
375.19479	4.1
379.22818	1.2
385.17911	2.7
389.21164	9.8
399.19934	1.5
403.18964	3.8
407.22141	7.8
417.20511	8.4
435.21707	15.3
453.23102	0.9
495.24072	4.7
517.25842	1.5
535.26685	3.9
554.70905	1.0
595.28168	1.1
623.27838	1.9
655.30377	1.3
672.41400	1.7
673.29517	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	672.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.6
53.12092	3.1
55.01857	5.5
55.05511	63.5
57.35400	3.9
65.72379	3.7
67.05507	8.4
69.03433	10.2
69.07069	4.8
70.06598	13.7
71.04961	3.5
71.56013	4.7
72.08155	7.8
79.05489	17.8
81.03377	6.8
81.07044	8.8
83.04984	91.5
86.91687	3.9
91.05472	32.0
92.05838	4.7
93.07047	22.6
95.04980	8.5
95.08614	9.0
103.05463	19.5
105.03427	7.6
105.07035	59.4
107.04919	5.5
107.08592	19.1
109.06525	8.0
115.05470	11.3
116.06297	7.0
116.07093	18.4
117.07008	29.1
119.04939	5.5
119.08583	65.8
121.06518	8.7
121.10160	8.1
128.06210	7.2
129.06992	15.0
131.04918	24.5
131.08566	26.3
133.06554	20.6
133.10129	50.8
135.08047	9.5
141.07013	8.6
142.07808	15.6
143.08574	29.0
145.06511	12.0
145.10135	25.9
147.08058	27.0
149.05922	3.6
149.09633	14.3
155.08525	20.0
156.09338	23.9
157.06519	9.1
157.10124	62.5
158.07260	4.4
159.04480	7.4
159.08035	25.5
159.11679	20.2
161.05992	30.6
161.09596	18.1
162.06247	3.6
163.07529	10.7
163.11224	8.7
165.06970	5.3
165.09140	4.4
167.08548	6.6
168.09387	4.7
169.10126	42.3
170.10863	22.9
171.08069	12.0
171.11691	82.5
172.12180	6.9
173.05933	6.1
173.09630	23.6
173.13191	9.8
175.07526	21.1
175.11198	9.4
177.05589	5.1
177.09129	12.2
179.07085	9.6
179.08568	7.1
181.10141	14.7
182.10883	5.6
183.08136	9.2
183.11687	67.9
184.12212	7.0
185.09633	29.3
185.13277	69.7
186.13689	4.0
187.07552	13.9
187.11143	14.9
189.05426	6.4
189.09085	7.1
189.12727	4.9
191.07019	6.8
192.09372	6.1
193.08537	5.7
193.10123	10.6
194.10762	5.6
195.08096	7.4
195.11668	25.5
196.12346	5.9
197.09598	19.6
197.13283	15.2
198.10425	7.6
199.07510	7.2
199.11182	32.6
200.11815	6.5
201.12799	11.7
203.07031	5.7
203.10526	4.0
205.08513	6.5
205.12126	4.0
206.10861	8.7
207.06464	6.1
207.11754	17.7
208.12318	6.6
209.09662	8.8
211.11156	15.7
212.11427	3.8
213.09145	11.5
213.12717	69.5
214.13219	8.0
215.06993	4.4
215.10678	8.8
215.14326	4.6
216.09341	5.4
217.10220	6.2
217.12305	4.0
218.11008	5.4
219.11687	9.8
220.12477	12.6
221.09824	4.5
221.13278	17.7
222.13835	6.9
223.11148	12.0
223.14728	6.1
225.08989	3.9
225.12708	5.6
227.10727	10.6
229.12135	6.9
230.10851	6.7
231.11710	9.9
231.13844	8.7
232.12418	5.5
233.13213	15.6
233.15317	6.8
234.13858	4.9
235.11180	4.6
235.14757	6.7
237.12732	5.4
237.16269	4.6
239.10764	7.8
241.12248	16.2
242.12938	4.6
243.11823	6.8
243.13838	27.2
244.12410	9.3
245.13222	13.5
245.15367	38.0
246.13954	8.5
247.11206	5.6
247.14749	7.1
249.12637	4.9
249.16231	5.6
251.10706	16.0
255.11673	8.6
255.13919	11.9
256.12427	8.9
257.13242	15.9
258.14005	8.7
259.14694	12.1
261.12656	9.2
267.11456	5.7
268.12369	4.4
269.09857	4.0
269.13232	17.3
270.13971	15.8
271.14798	12.7
272.15262	5.9
273.12357	7.6
273.14700	40.2
275.14267	7.9
275.17935	8.0
277.11780	4.5
281.12997	5.0
282.13992	4.8
283.11188	4.9
283.14749	10.9
284.15540	8.9
285.12704	5.1
285.16302	17.5
286.13275	7.0
286.16956	3.7
287.14615	6.9
289.12158	7.9
289.15686	7.3
291.16214	4.8
296.15643	4.2
297.12851	9.0
297.16199	4.1
298.13480	10.8
299.14221	10.1
299.17905	12.6
300.15057	7.1
301.12155	5.0
301.15683	9.1
303.13947	5.9
303.17422	11.8
311.14316	7.4
312.14694	4.6
313.15891	15.3
314.16852	4.9
315.13837	6.9
315.17361	6.6
316.14459	5.5
317.15161	7.5
319.17035	5.0
323.14429	5.0
326.13052	4.3
327.13812	7.0
327.17422	11.1
329.15298	13.1
330.15930	5.5
331.16885	29.5
332.17337	4.5
333.18329	6.8
340.14630	7.4
341.15234	15.7
342.16229	5.1
343.16882	11.9
345.18600	20.8
347.16360	14.5
349.17920	12.9
355.16763	26.2
357.18341	10.3
359.16208	30.1
359.20126	3.6
361.17984	6.7
362.18353	4.3
363.19547	10.7
371.16458	6.4
373.18057	35.0
374.18204	4.6
375.19525	7.5
377.17349	18.2
383.16522	8.3
385.17914	8.7
387.19510	7.6
389.17419	7.8
391.18973	33.5
401.17404	39.4
403.19095	9.5
405.20734	30.6
409.20047	8.1
415.18924	22.4
419.18494	38.2
421.20068	20.4
422.20468	5.3
423.21558	30.4
433.20117	100.0
435.21735	8.1
437.19601	11.0
451.21115	95.4
469.22028	16.2
480.30862	4.0
499.43936	4.4
519.23669	9.0
523.23468	4.7
533.25519	6.6
537.24835	4.9
551.26343	6.1
601.28046	3.9
623.28589	8.4
637.29987	7.0
655.30652	15.5
672.31531	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.9
55.05264	4.5
55.05517	69.7
59.34630	2.3
66.50219	2.7
67.05504	7.0
67.69879	2.2
69.03442	8.5
69.07082	2.4
72.04527	6.1
72.81872	2.3
74.06096	4.0
79.05476	11.8
81.03461	3.4
81.07073	8.2
83.04987	98.5
84.05330	2.8
85.02924	3.7
86.06065	3.5
91.05479	23.9
93.07072	8.9
95.05006	12.9
95.08618	4.2
97.06544	4.0
98.06069	5.8
103.05501	8.6
105.03407	4.8
105.07036	20.2
107.04980	3.4
107.08593	14.8
109.06522	3.9
109.10194	2.8
110.06068	8.0
115.05501	8.5
117.07039	12.5
118.12231	2.2
119.04959	2.9
119.08588	34.5
121.06524	5.4
121.10155	3.8
122.06103	2.9
126.05550	10.3
127.07557	51.6
128.06258	4.3
128.07124	3.9
129.07045	11.1
130.07773	3.9
131.04933	16.5
131.08559	19.4
133.06546	6.8
133.10139	15.1
135.08073	6.6
140.07082	5.7
141.07001	5.0
142.07785	6.4
143.08594	12.6
145.06544	10.3
145.10147	20.5
146.09666	2.8
147.08086	8.0
147.11755	4.4
149.09641	5.2
155.08614	9.6
156.09311	7.1
157.10149	23.4
158.10661	4.9
159.08145	8.9
159.11684	19.6
161.06038	5.1
161.09634	5.9
161.13266	2.7
167.08771	3.6
169.10106	15.0
170.10912	7.0
171.08095	6.5
171.11729	24.7
172.12120	6.8
173.09642	13.1
173.13315	7.2
174.09151	3.7
175.07597	4.4
175.11203	3.8
176.10728	3.0
178.12372	4.2
181.10156	5.6
182.10803	3.4
183.08205	3.7
183.11691	34.2
184.08711	3.4
184.12157	4.2
185.09694	4.2
185.13293	13.1
186.09102	3.0
186.13544	3.0
187.07509	2.6
187.11301	8.4
188.10777	9.8
191.10785	4.3
193.10219	4.7
195.11769	9.8
197.09683	5.8
197.13261	5.0
199.07700	3.2
199.11281	7.1
201.12846	9.7
204.10251	10.0
205.10725	3.5
206.11797	38.6
207.11778	6.1
209.13441	4.2
211.11189	11.5
213.12717	12.6
214.13187	4.4
215.10779	5.3
218.11809	12.2
220.13493	3.8
221.13249	7.0
222.11365	6.0
223.11275	4.2
225.12868	3.4
227.10748	3.0
229.10320	3.6
229.12300	6.1
230.10637	2.8
231.11752	3.3
232.13129	2.9
233.13535	3.0
234.11284	4.0
235.11116	3.0
235.14830	3.0
243.13918	3.9
244.12535	2.9
245.13309	3.3
245.15553	7.2
246.13817	3.1
247.14822	4.1
249.12759	4.0
253.15828	3.0
257.13422	3.5
259.14883	3.2
260.12967	3.5
260.15594	2.6
261.16202	3.1
268.12863	2.9
273.15015	2.9
275.14334	3.4
279.17624	3.7
288.15314	3.2
289.15723	3.6
298.13367	4.3
300.14948	3.7
301.15927	3.7
303.17355	4.1
313.15817	3.7
314.16458	3.7
318.16928	3.4
321.18451	3.9
331.16968	4.5
345.18240	3.9
346.18805	3.2
391.19250	3.8
416.22662	2.9
424.22269	2.6
430.24710	2.8
434.21011	3.6
448.24744	5.9
452.21576	3.8
462.22928	2.8
466.25882	13.9
476.24396	8.7
480.24146	5.3
484.27252	9.3
494.25436	25.2
512.26593	35.2
530.27856	7.0
544.07526	3.0
544.29114	3.6
554.27899	6.6
572.28619	17.5
576.29761	3.5
594.30817	11.0
601.25281	3.6
612.31616	44.8
640.31006	8.4
654.32721	5.6
672.33856	100.0
673.34198	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	672.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.4
55.01876	6.0
55.05516	54.4
64.23356	3.1
67.05506	4.9
69.03425	8.9
70.06600	8.9
72.08157	3.9
77.84419	2.6
79.05482	13.6
79.15055	2.4
81.03419	4.5
81.07062	8.9
83.04483	4.4
83.04987	82.8
84.05328	2.5
85.02898	3.2
88.74136	2.3
90.69283	2.5
91.05486	32.2
93.07029	19.2
95.04957	9.2
95.08615	12.2
97.06533	3.8
97.37600	2.4
103.05450	14.2
105.03400	7.5
105.06370	5.0
105.07036	48.5
107.04949	5.4
107.08578	18.1
109.06538	8.1
115.05445	15.4
116.06336	4.9
116.07109	14.2
117.07037	20.1
119.08585	50.4
119.09369	4.9
121.02866	2.9
121.06507	8.0
121.10145	7.2
128.06226	5.4
129.07025	16.8
131.04922	18.9
131.08571	29.0
133.06502	23.8
133.10144	47.9
135.08072	12.7
139.07390	2.7
141.07025	7.5
142.07784	11.8
143.08571	25.2
145.06488	14.4
145.10132	27.5
147.08069	29.1
147.11632	3.6
148.21553	2.6
149.09604	12.6
153.07079	3.5
155.08540	17.8
156.09363	19.1
157.10139	53.1
158.10452	2.7
159.04485	4.7
159.08057	13.3
159.11732	19.0
161.06001	23.6
161.09633	18.8
163.07549	10.8
163.11192	7.0
165.07089	7.4
166.07805	3.7
167.08566	11.0
168.09317	7.2
169.10144	33.4
170.10933	16.2
171.08075	11.2
171.11696	85.1
172.12169	5.5
173.06033	7.5
173.09605	21.4
173.13281	8.8
175.07542	21.2
175.11186	5.8
177.05588	3.6
177.09125	10.7
179.07057	5.9
179.08533	5.9
179.10701	3.3
180.09262	5.6
181.10143	10.6
182.10954	3.0
183.08157	7.9
183.11697	71.1
184.08861	3.1
184.12337	7.9
185.09596	22.6
185.13271	61.6
186.10445	3.5
187.03970	3.6
187.07452	5.6
187.11180	12.2
189.05464	11.1
189.09154	3.6
189.12769	2.7
191.07047	4.4
193.08627	7.7
193.10103	10.7
194.10886	5.5
195.08012	4.4
195.11713	18.9
196.12491	3.8
197.09654	12.1
197.13271	13.8
198.10443	5.7
199.07539	5.9
199.11186	32.6
200.11922	5.7
201.09120	5.7
201.12744	10.9
202.07695	2.9
205.08574	4.9
205.10229	6.3
205.12111	4.6
206.10869	5.5
207.06453	4.9
207.11713	12.6
208.12407	5.6
209.09705	6.3
209.13280	10.5
211.07570	4.8
211.11224	21.1
212.11751	3.3
213.09158	12.1
213.12729	64.0
214.13165	7.8
215.10750	6.2
215.14307	4.2
217.10320	3.7
217.12300	7.4
218.10947	5.5
219.11897	3.8
220.12431	5.8
221.13283	15.7
222.14008	5.2
223.07469	3.5
223.11137	12.7
223.14876	7.2
224.11932	3.9
225.12709	7.1
227.10754	9.4
229.10266	5.6
229.12309	9.5
230.10831	6.8
231.09839	6.9
231.11768	7.0
231.13852	11.3
232.12387	6.0
233.13257	11.7
233.15424	5.7
234.10394	4.1
235.11192	4.1
235.14871	7.1
237.12724	9.6
239.10611	4.7
241.08482	5.0
241.12311	19.9
242.10797	3.2
243.11632	10.1
243.13853	20.2
244.12491	8.5
245.13217	7.8
245.15428	30.4
246.13832	5.4
247.11162	7.0
247.14836	9.2
249.12727	4.4
249.16333	5.0
251.10614	13.5
255.11667	9.2
255.13914	7.4
256.12570	7.9
257.13385	15.7
257.15558	4.0
258.14099	11.3
259.11026	4.2
259.14941	9.2
260.15610	3.2
261.12714	5.3
261.16736	4.7
263.10596	2.9
263.14111	3.1
263.16617	4.5
265.12476	4.5
267.11609	3.5
268.12402	4.6
269.13284	11.3
270.14099	14.1
271.14746	11.8
272.15533	5.3
273.12421	5.2
273.14792	37.9
275.10577	3.5
275.14255	6.0
275.17615	4.1
277.16025	3.3
279.14087	4.4
281.13187	4.7
283.14725	7.9
284.15515	9.7
285.12711	7.1
285.16434	17.6
286.17209	5.5
287.14282	9.8
287.17868	5.1
288.15054	2.9
289.15817	3.2
291.16241	4.5
296.25745	3.2
297.12799	6.3
297.16382	7.3
298.13486	7.7
299.14206	7.6
299.17972	9.8
300.15067	5.5
301.12341	6.8
301.16010	7.3
303.13925	5.0
303.17416	8.0
305.15427	4.0
309.16183	4.1
312.15082	3.7
313.15884	11.7
314.16541	6.0
315.13748	7.7
315.17404	6.8
316.14590	5.9
317.15448	8.0
317.19025	5.1
319.16925	6.1
321.18378	4.9
325.12155	3.6
327.13800	4.3
327.17435	15.6
329.15289	12.2
329.18854	4.5
330.15894	5.6
331.13144	4.9
331.16827	27.4
333.18399	3.2
341.15375	15.5
343.16946	11.0
345.18478	20.7
347.16391	11.1
349.18039	11.0
355.16956	20.7
357.18674	5.6
358.15305	3.3
359.16382	24.9
359.20184	3.7
360.16891	4.1
361.14127	3.4
361.18063	9.3
363.19571	9.7
371.16330	7.4
373.18015	46.2
375.19623	7.5
376.20352	3.2
377.17404	21.0
377.21405	3.3
383.16309	8.0
385.18085	3.4
387.19424	8.0
389.17499	8.6
391.19043	28.9
392.19366	3.8
400.16302	3.3
401.17416	36.5
403.19299	15.9
405.20599	35.8
406.21503	3.2
409.20020	5.9
415.18979	21.3
419.18622	45.1
421.20096	20.1
423.21710	25.3
433.20148	100.0
434.20444	6.0
435.21564	7.4
436.22064	4.3
437.19791	9.6
439.21259	7.1
440.21393	2.9
451.21228	94.7
452.21680	3.5
469.22165	20.3
491.24689	3.3
501.22134	2.6
519.23608	10.5
537.24731	6.8
541.24298	2.7
551.26245	11.2
569.27539	3.6
605.27301	3.9
623.28143	10.0
637.29572	5.7
655.31116	11.4
672.32507	7.5
673.26886	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	672.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
55.05515	35.6
56.05023	2.7
67.05505	3.0
69.03442	2.3
70.06589	4.4
74.06091	6.4
79.05498	4.4
81.07050	3.2
82.02951	9.5
83.01333	1.9
83.04990	49.0
83.45678	2.2
87.42841	2.0
91.05474	9.3
93.07050	5.5
95.04978	4.7
98.06055	12.6
98.20735	4.2
105.07026	8.0
107.19640	1.9
108.74001	1.8
109.06526	1.8
110.06059	2.6
117.07037	6.1
119.08595	13.1
121.06550	2.0
126.05522	100.0
127.07559	3.0
128.06235	2.8
129.06993	7.1
131.05003	1.9
131.08557	10.5
133.06555	2.5
133.10146	5.6
135.08110	2.8
135.11792	2.2
141.06924	1.9
141.66515	1.9
142.07735	3.0
143.08575	8.7
144.09262	2.1
145.06483	2.5
145.10135	5.9
147.08032	3.8
149.09601	4.2
152.07120	2.1
156.09389	3.0
157.06516	2.1
157.10141	14.5
159.08044	5.0
159.11681	14.4
161.09657	4.2
167.08551	2.5
168.09360	2.8
169.10097	12.5
170.10901	3.0
171.11705	9.8
173.09644	7.8
173.13297	5.6
174.09134	2.9
175.11382	2.2
176.10649	2.6
178.12270	3.0
181.10143	3.8
183.11702	23.2
185.09671	2.8
185.13268	2.9
187.11259	4.8
188.10728	16.8
190.12213	3.6
193.10139	4.6
195.11752	3.9
197.09601	7.0
199.11162	3.5
200.10681	4.4
201.12766	8.2
202.12292	2.6
204.10300	9.8
206.11792	50.7
207.11684	4.7
209.09624	2.0
209.13414	2.7
211.11191	7.9
215.10771	2.2
216.10153	2.3
217.10228	3.9
218.11888	10.0
219.11757	3.2
221.13264	7.5
222.11362	2.6
229.12250	7.0
230.11452	2.2
231.11774	4.0
232.09650	8.2
232.12727	6.8
233.13274	6.0
233.15430	4.5
234.11313	3.6
235.14859	2.6
243.11652	3.2
243.13858	4.6
244.13220	3.3
245.13364	3.9
245.15454	3.2
246.14267	2.7
247.14912	16.5
249.12659	2.9
249.16379	3.1
256.13065	5.2
257.13306	5.4
258.14499	2.4
259.11066	2.7
260.05142	2.1
260.12155	2.2
261.12646	3.1
261.16422	6.3
263.14294	3.1
265.16013	2.0
271.14844	2.1
272.15656	2.7
274.13495	2.4
275.14285	5.3
288.15903	6.9
289.15640	7.2
296.16418	2.5
319.76462	2.1
372.19492	3.3
374.21222	11.4
384.19788	3.2
388.22739	5.8
398.21112	6.0
402.20670	3.2
416.22336	28.2
418.23907	5.1
426.20267	2.7
434.23428	6.8
444.21814	13.7
448.24832	10.2
450.26715	3.2
458.23383	5.8
462.22754	20.8
466.26035	4.4
476.24249	13.5
480.23679	8.7
484.26810	3.5
494.25446	26.7
498.25879	3.5
512.26508	16.9
516.27258	4.3
526.27106	2.9
540.25787	5.0
544.26862	3.2
554.27496	3.4
558.27808	2.4
562.27838	12.3
572.28381	2.3
576.29437	5.5
580.29065	3.9
594.30621	12.5
612.32037	8.9
622.29926	6.6
640.30994	13.5
654.32800	13.6
672.34082	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.4
55.01876	6.0
55.05516	54.4
64.23356	3.1
67.05506	4.9
69.03425	8.9
70.06600	8.9
72.08157	3.9
77.84419	2.6
79.05482	13.6
79.15055	2.4
81.03419	4.5
81.07062	8.9
83.04483	4.4
83.04987	82.8
84.05328	2.5
85.02898	3.2
88.74136	2.3
90.69283	2.5
91.05486	32.2
93.07029	19.2
95.04957	9.2
95.08615	12.2
97.06533	3.8
97.37600	2.4
103.05450	14.2
105.03400	7.5
105.06370	5.0
105.07036	48.5
107.04949	5.4
107.08578	18.1
109.06538	8.1
115.05445	15.4
116.06336	4.9
116.07109	14.2
117.07037	20.1
119.08585	50.4
119.09369	4.9
121.02866	2.9
121.06507	8.0
121.10145	7.2
128.06226	5.4
129.07025	16.8
131.04922	18.9
131.08571	29.0
133.06502	23.8
133.10144	47.9
135.08072	12.7
139.07390	2.7
141.07025	7.5
142.07784	11.8
143.08571	25.2
145.06488	14.4
145.10132	27.5
147.08069	29.1
147.11632	3.6
148.21553	2.6
149.09604	12.6
153.07079	3.5
155.08540	17.8
156.09363	19.1
157.10139	53.1
158.10452	2.7
159.04485	4.7
159.08057	13.3
159.11732	19.0
161.06001	23.6
161.09633	18.8
163.07549	10.8
163.11192	7.0
165.07089	7.4
166.07805	3.7
167.08566	11.0
168.09317	7.2
169.10144	33.4
170.10933	16.2
171.08075	11.2
171.11696	85.1
172.12169	5.5
173.06033	7.5
173.09605	21.4
173.13281	8.8
175.07542	21.2
175.11186	5.8
177.05588	3.6
177.09125	10.7
179.07057	5.9
179.08533	5.9
179.10701	3.3
180.09262	5.6
181.10143	10.6
182.10954	3.0
183.08157	7.9
183.11697	71.1
184.08861	3.1
184.12337	7.9
185.09596	22.6
185.13271	61.6
186.10445	3.5
187.03970	3.6
187.07452	5.6
187.11180	12.2
189.05464	11.1
189.09154	3.6
189.12769	2.7
191.07047	4.4
193.08627	7.7
193.10103	10.7
194.10886	5.5
195.08012	4.4
195.11713	18.9
196.12491	3.8
197.09654	12.1
197.13271	13.8
198.10443	5.7
199.07539	5.9
199.11186	32.6
200.11922	5.7
201.09120	5.7
201.12744	10.9
202.07695	2.9
205.08574	4.9
205.10229	6.3
205.12111	4.6
206.10869	5.5
207.06453	4.9
207.11713	12.6
208.12407	5.6
209.09705	6.3
209.13280	10.5
211.07570	4.8
211.11224	21.1
212.11751	3.3
213.09158	12.1
213.12729	64.0
214.13165	7.8
215.10750	6.2
215.14307	4.2
217.10320	3.7
217.12300	7.4
218.10947	5.5
219.11897	3.8
220.12431	5.8
221.13283	15.7
222.14008	5.2
223.07469	3.5
223.11137	12.7
223.14876	7.2
224.11932	3.9
225.12709	7.1
227.10754	9.4
229.10266	5.6
229.12309	9.5
230.10831	6.8
231.09839	6.9
231.11768	7.0
231.13852	11.3
232.12387	6.0
233.13257	11.7
233.15424	5.7
234.10394	4.1
235.11192	4.1
235.14871	7.1
237.12724	9.6
239.10611	4.7
241.08482	5.0
241.12311	19.9
242.10797	3.2
243.11632	10.1
243.13853	20.2
244.12491	8.5
245.13217	7.8
245.15428	30.4
246.13832	5.4
247.11162	7.0
247.14836	9.2
249.12727	4.4
249.16333	5.0
251.10614	13.5
255.11667	9.2
255.13914	7.4
256.12570	7.9
257.13385	15.7
257.15558	4.0
258.14099	11.3
259.11026	4.2
259.14941	9.2
260.15610	3.2
261.12714	5.3
261.16736	4.7
263.10596	2.9
263.14111	3.1
263.16617	4.5
265.12476	4.5
267.11609	3.5
268.12402	4.6
269.13284	11.3
270.14099	14.1
271.14746	11.8
272.15533	5.3
273.12421	5.2
273.14792	37.9
275.10577	3.5
275.14255	6.0
275.17615	4.1
277.16025	3.3
279.14087	4.4
281.13187	4.7
283.14725	7.9
284.15515	9.7
285.12711	7.1
285.16434	17.6
286.17209	5.5
287.14282	9.8
287.17868	5.1
288.15054	2.9
289.15817	3.2
291.16241	4.5
296.25745	3.2
297.12799	6.3
297.16382	7.3
298.13486	7.7
299.14206	7.6
299.17972	9.8
300.15067	5.5
301.12341	6.8
301.16010	7.3
303.13925	5.0
303.17416	8.0
305.15427	4.0
309.16183	4.1
312.15082	3.7
313.15884	11.7
314.16541	6.0
315.13748	7.7
315.17404	6.8
316.14590	5.9
317.15448	8.0
317.19025	5.1
319.16925	6.1
321.18378	4.9
325.12155	3.6
327.13800	4.3
327.17435	15.6
329.15289	12.2
329.18854	4.5
330.15894	5.6
331.13144	4.9
331.16827	27.4
333.18399	3.2
341.15375	15.5
343.16946	11.0
345.18478	20.7
347.16391	11.1
349.18039	11.0
355.16956	20.7
357.18674	5.6
358.15305	3.3
359.16382	24.9
359.20184	3.7
360.16891	4.1
361.14127	3.4
361.18063	9.3
363.19571	9.7
371.16330	7.4
373.18015	46.2
375.19623	7.5
376.20352	3.2
377.17404	21.0
377.21405	3.3
383.16309	8.0
385.18085	3.4
387.19424	8.0
389.17499	8.6
391.19043	28.9
392.19366	3.8
400.16302	3.3
401.17416	36.5
403.19299	15.9
405.20599	35.8
406.21503	3.2
409.20020	5.9
415.18979	21.3
419.18622	45.1
421.20096	20.1
423.21710	25.3
433.20148	100.0
434.20444	6.0
435.21564	7.4
436.22064	4.3
437.19791	9.6
439.21259	7.1
440.21393	2.9
451.21228	94.7
452.21680	3.5
469.22165	20.3
491.24689	3.3
501.22134	2.6
519.23608	10.5
537.24731	6.8
541.24298	2.7
551.26245	11.2
569.27539	3.6
605.27301	3.9
623.28143	10.0
637.29572	5.7
655.31116	11.4
672.32507	7.5
673.26886	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	671.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.3
55.01863	5.7
55.05504	22.5
57.03428	3.9
57.07079	12.7
61.02916	4.8
61.22816	2.0
67.05509	27.5
69.03432	15.1
69.07067	62.9
70.06583	3.4
71.04972	3.8
71.08636	3.8
71.56174	2.4
72.08148	2.6
73.02915	3.2
79.05494	16.6
79.65984	2.0
81.03416	8.9
81.07054	88.8
83.04969	8.6
83.08613	35.9
85.02902	67.9
85.03329	1.3
85.03426	2.2
85.06525	6.0
91.03923	3.7
91.05450	8.9
93.07049	17.3
95.05019	4.0
95.08607	100.0
97.02897	15.5
97.06534	5.7
97.10176	25.0
99.04449	3.6
99.08089	5.1
105.07013	10.7
107.04951	5.8
107.08564	14.9
109.02867	7.3
109.06513	6.6
109.10159	69.1
110.21507	2.0
111.08113	2.5
111.11721	27.6
117.07030	2.8
119.08574	8.2
121.06489	4.2
121.10111	12.1
123.08018	3.4
123.11712	45.9
125.09548	2.7
125.13264	23.1
127.03928	18.8
131.04886	2.4
131.08543	6.0
133.06526	3.1
133.10115	7.6
135.11687	6.7
137.05968	7.6
137.13261	36.4
139.14792	3.0
141.12746	2.6
143.08548	3.9
143.14255	2.9
145.04973	33.3
145.06247	2.8
145.06450	2.4
145.10173	3.4
147.08008	4.9
147.11749	2.5
149.13290	12.3
151.14822	21.3
155.14282	5.5
157.10133	2.8
159.08069	4.0
159.11711	2.9
161.09555	3.1
161.13261	2.2
163.06023	19.2
163.14793	9.4
165.16373	13.8
167.07054	2.7
167.08580	2.9
169.10083	2.5
169.15868	12.5
171.11653	3.6
173.13261	3.0
175.11240	2.4
177.16414	4.7
179.17963	11.2
183.17485	4.4
191.17854	4.0
193.10220	2.5
193.19469	6.9
197.18962	3.5
205.19411	3.7
207.21106	3.3
208.08859	2.5
209.11710	2.5
211.20541	4.3
213.12631	4.3
219.21097	5.6
233.15376	2.5
237.22090	2.3
247.41841	2.2
249.25732	3.6
267.15836	2.3
275.27322	20.0
281.28400	2.9
293.28366	47.0
305.28296	3.9
311.29440	3.6
325.11301	10.1
367.22726	4.5
383.29544	3.3
385.23648	6.5
401.30273	5.0
419.31400	7.7
437.32574	3.2
455.33456	4.5
459.27551	13.2
477.28494	9.3
671.36743	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	671.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.8
55.05511	81.5
57.03428	9.0
63.09826	3.0
65.03925	3.4
67.05169	3.6
67.05505	36.0
69.03423	8.5
69.07054	10.1
69.18465	2.8
69.18659	4.0
69.19090	24.6
69.19387	3.5
71.04987	6.8
75.94323	2.7
79.05495	35.3
81.03431	14.1
81.07059	31.2
83.04985	68.9
83.08601	11.3
85.02885	4.9
89.97086	2.6
91.05472	26.6
93.07046	28.3
95.04986	22.7
95.08611	15.4
97.02847	3.7
97.06535	5.9
97.10179	25.5
103.05439	7.8
105.03392	9.1
105.07035	33.7
107.04953	24.7
107.08588	28.7
109.06528	13.6
109.10161	13.8
115.05448	7.8
117.07016	18.7
119.04908	3.6
119.08591	22.4
121.06504	18.0
121.10128	10.7
123.04419	4.0
123.08040	7.5
125.09639	22.0
128.06229	6.0
129.06992	11.1
131.04897	12.7
131.08591	18.8
133.06485	12.8
133.10123	13.9
135.08080	14.3
135.11694	4.5
141.06972	4.7
142.07774	6.5
143.08548	21.8
145.06500	17.6
145.10104	14.8
146.07307	3.0
147.04411	5.3
147.08058	15.9
147.11681	5.2
149.05960	3.7
149.09622	9.3
153.06987	3.1
153.09111	6.1
155.08521	7.8
156.09367	8.3
157.06491	6.4
157.10124	25.0
159.08078	11.8
159.11708	6.8
161.05972	11.9
161.09596	9.8
163.11172	9.4
165.07007	4.5
165.09093	5.1
167.08553	4.3
169.10103	13.6
170.10852	6.7
171.08057	9.7
171.11697	41.5
173.05969	3.8
173.09668	13.5
173.13264	7.0
175.07581	5.6
175.11172	6.5
177.09065	4.7
177.53728	2.7
181.10158	7.3
183.11678	27.0
185.09602	9.1
185.13277	26.0
187.11194	3.5
189.11214	11.1
189.12744	4.2
191.10648	2.9
193.10146	4.1
193.12253	6.2
195.07985	3.8
195.11688	6.6
197.09644	8.5
197.13278	12.1
199.07599	2.9
199.11143	15.7
203.10701	4.8
204.48891	3.4
206.10796	3.3
207.11716	8.7
209.13295	5.4
209.62047	3.4
211.11151	7.1
213.12791	25.2
215.10669	3.4
217.10390	3.2
217.12283	4.4
219.11731	4.8
219.13766	4.3
220.12415	3.9
221.13310	6.8
223.11232	3.9
223.14803	3.4
225.12665	3.6
229.12370	4.3
231.11719	4.1
231.13744	6.5
233.15340	6.8
237.12578	4.6
241.12234	4.3
243.11694	6.0
243.13863	6.5
245.13181	7.0
245.15375	12.2
246.14182	3.4
247.14932	5.7
255.13989	6.2
257.15463	5.0
261.12759	4.8
267.15891	11.1
269.13141	3.2
270.13913	3.9
271.14938	3.7
272.12033	3.1
272.15527	4.3
273.14752	21.2
275.17972	3.8
301.15714	4.3
315.17261	5.9
329.15445	6.3
331.16837	8.4
343.16922	4.6
347.16412	3.6
349.17795	3.5
349.21606	8.1
355.16818	6.9
357.18393	4.0
359.16254	6.0
363.19666	5.3
367.22745	30.1
373.17908	10.5
385.23740	37.2
391.18753	8.1
401.17392	8.5
403.19580	5.1
403.24683	13.8
415.19266	4.0
419.18692	4.7
421.20349	4.7
423.21259	4.5
433.20065	15.9
441.26321	11.8
451.21039	13.1
459.27435	100.0
460.27829	4.2
477.28513	96.3
491.30121	9.6
495.92078	3.8
509.31119	6.2
511.23453	3.4
671.30737	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	671.322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32221	1.1
53.03933	3.4
55.01876	11.8
55.05496	3.8
57.03432	1.2
63.97060	1.0
67.05511	7.0
69.03421	4.4
69.75385	6.5
75.16694	1.0
77.03930	1.6
79.05508	9.6
80.63766	1.0
81.03426	8.3
81.07058	6.1
83.04964	4.3
91.05484	21.3
93.07052	10.1
95.04983	10.1
95.08578	3.4
97.06525	2.2
98.21490	1.2
103.05476	52.8
105.04523	2.3
105.07041	16.7
107.04952	4.6
107.08598	5.2
107.89460	1.0
108.94114	1.0
109.06516	2.7
109.10147	2.2
114.94034	1.1
115.03958	1.6
115.05447	5.0
116.06246	1.8
117.07034	12.6
119.04906	1.6
119.07778	2.0
119.08588	22.3
121.06471	3.3
121.10143	3.3
122.32655	1.0
123.08054	1.6
128.06233	5.5
129.07022	13.0
130.07745	2.2
131.04938	100.0
131.08566	12.3
133.06488	4.2
133.10135	21.8
135.08025	4.0
141.06985	4.1
142.07782	7.0
143.08563	12.9
144.09300	1.1
145.06496	13.3
145.10127	12.0
146.07231	2.2
147.08058	55.0
147.09229	2.8
147.11716	2.9
149.09630	9.1
153.07001	1.5
154.07855	1.1
155.08592	6.1
156.09389	9.8
157.06441	1.6
157.10144	21.1
158.07298	2.6
158.10728	1.2
159.08066	18.1
159.11693	13.5
161.05946	1.2
161.09637	24.1
163.07552	20.9
163.11237	3.0
165.06995	3.2
166.07837	1.8
167.08571	1.9
168.09415	2.5
169.10139	11.2
170.10893	8.8
171.08009	4.9
171.10260	2.4
171.11699	38.2
172.08830	3.0
173.06017	3.6
173.09654	17.3
173.13297	4.7
174.06889	1.1
175.07521	7.6
175.11154	4.9
179.08562	2.7
180.09357	2.1
181.10110	4.6
182.10898	3.2
183.08046	2.5
183.10234	2.1
183.11720	23.4
184.12411	1.8
185.09679	11.3
185.13271	34.1
187.07567	1.5
187.11200	6.2
189.09090	2.8
189.12782	1.9
193.10201	2.8
195.08006	1.2
195.11703	7.4
197.09610	4.7
197.13266	6.6
198.10323	2.6
199.07550	1.9
199.11217	13.4
200.11925	3.2
201.09196	6.4
201.10895	1.0
201.12752	6.6
203.10683	2.2
203.14243	1.5
205.10252	1.6
205.12265	2.4
206.10907	1.5
207.11685	3.2
209.09598	1.5
209.13307	3.2
211.11171	4.3
213.09239	2.0
213.12750	25.8
215.10620	2.9
215.14412	1.5
217.12187	4.4
218.10979	1.4
219.11641	1.8
221.13266	3.7
223.11209	4.0
223.14815	1.6
225.09193	1.4
225.12738	3.3
227.10643	3.3
229.10120	1.6
229.12315	2.6
231.11790	1.7
231.13828	3.9
233.09651	1.4
233.13272	2.9
233.15382	2.7
235.11189	2.6
235.14853	2.3
237.12813	4.1
239.10634	2.3
241.10147	1.7
241.12267	11.7
243.11708	2.4
243.13794	6.5
244.12401	1.4
245.09698	1.8
245.13246	1.9
245.15379	18.7
247.11145	1.7
247.14844	1.6
249.12779	1.6
251.14359	1.7
255.13872	5.5
257.13058	1.4
257.15411	3.3
259.10971	2.2
259.13211	8.5
261.12711	2.9
263.16434	3.1
269.13101	2.9
270.13873	1.3
273.12515	2.0
273.14874	18.2
275.14340	2.3
283.14725	2.4
285.12732	2.7
285.16382	1.2
286.13602	1.5
287.14401	4.0
297.12683	4.2
298.13721	1.5
299.14490	2.6
300.14914	1.7
301.15811	3.4
303.13901	1.2
303.17389	2.2
305.15610	1.7
311.14267	3.8
312.15097	3.4
313.15829	2.0
315.17371	4.8
317.18875	4.6
319.16833	1.5
326.16617	2.3
327.17496	8.6
328.18155	2.5
329.18799	1.7
331.20572	2.4
333.18420	2.4
340.22031	1.3
341.19162	6.7
345.18378	6.6
357.18478	2.5
359.20041	8.6
369.18536	2.8
377.20981	1.4
381.81580	1.3
387.19559	11.8
389.21185	2.9
391.22641	4.2
401.21158	17.1
405.20514	5.1
407.22162	2.9
419.22275	26.6
437.23154	5.1
505.25931	2.5
553.25940	1.5
567.26685	1.9
577.24188	2.0
610.24341	1.3
611.24274	1.5
639.28448	4.2
653.30444	1.4
671.28424	2.5
671.41669	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.5
53.03942	1.7
55.01875	7.8
55.05500	1.6
63.98902	0.4
65.03941	1.0
67.00494	0.5
67.05502	2.7
69.03426	4.4
69.07053	0.8
69.66536	2.9
77.03925	1.0
79.05494	5.1
81.03417	6.0
81.07074	2.9
83.04983	1.5
91.05484	15.0
93.07038	5.0
95.01346	0.5
95.04967	5.7
95.08627	2.7
97.06530	1.4
103.05473	54.9
104.67587	0.5
105.04498	1.0
105.07040	11.5
107.04963	3.1
107.08591	4.3
109.06512	2.3
113.05982	0.7
115.03950	0.9
115.05463	4.9
116.06207	1.1
117.07030	10.7
119.08586	15.0
121.06532	2.5
121.10149	2.1
123.08036	0.8
127.05481	0.7
127.07549	0.4
128.06210	3.7
129.07018	10.1
130.07755	2.0
131.04936	100.0
131.08580	9.6
132.05704	0.4
133.06493	1.7
133.10144	10.8
135.08032	3.6
141.07011	2.8
142.07782	4.8
143.08572	10.0
144.05698	1.3
144.08076	0.6
144.09343	0.8
145.06490	8.0
145.10138	8.4
146.07332	1.3
147.08051	36.0
147.11740	1.5
149.05974	1.0
149.09634	4.3
152.04922	0.5
152.06256	0.6
153.07036	1.3
154.07796	0.9
155.06093	0.6
155.08539	4.4
156.09344	6.7
157.06522	0.9
157.10136	17.6
158.07269	2.0
159.08067	14.8
159.11697	11.1
161.05974	1.3
161.09630	15.3
161.10950	1.1
161.13309	0.9
163.07558	27.3
163.11224	2.2
165.07071	2.4
165.09106	0.7
166.07698	0.8
167.08575	1.4
167.10660	0.6
168.09334	1.3
169.10144	8.2
170.10918	5.0
171.08054	3.6
171.11694	23.9
172.08820	0.9
172.12375	0.6
173.06030	2.1
173.09627	11.0
173.11009	0.8
173.13266	3.3
175.07579	5.0
175.11218	2.7
177.09111	1.0
179.08586	1.6
179.10690	0.9
180.09377	1.4
181.10150	3.1
182.10910	1.4
183.08133	1.5
183.11705	18.4
184.08783	0.7
184.12253	0.6
185.09656	7.4
185.13264	20.3
186.10464	0.8
186.13687	0.5
187.07500	2.4
187.11209	4.9
189.09154	1.7
189.12743	1.4
192.09322	1.0
193.10143	1.9
194.10869	0.9
195.08047	0.9
195.11737	4.8
196.08849	0.6
197.09624	4.0
197.11588	0.9
197.13277	6.8
198.10388	1.3
199.07478	0.6
199.11189	7.7
200.11940	1.1
201.09120	4.3
201.12740	2.7
203.10689	1.4
203.14357	1.3
205.10228	1.1
205.12267	1.2
206.11029	0.6
207.11769	3.0
208.12483	0.7
209.09648	2.1
209.13316	1.8
211.11191	3.0
211.14836	0.7
213.09410	1.1
213.12746	17.1
215.10565	2.3
215.14281	1.0
217.10320	0.9
217.12306	2.3
218.10910	1.1
219.11713	1.6
220.12410	0.8
221.09618	0.6
221.13309	2.2
223.11214	3.7
223.14882	1.2
225.09204	1.1
225.12762	1.9
226.09950	0.6
227.10728	1.8
229.10112	1.2
229.12308	3.8
230.10957	0.6
231.10049	1.1
231.13733	4.6
232.12563	0.5
233.13313	1.4
233.15434	1.7
234.10371	0.6
235.11261	0.9
235.14882	0.7
237.12802	1.9
237.16492	0.6
239.10706	1.1
239.14250	0.6
241.10039	1.0
241.12250	6.1
242.10889	0.7
243.11754	0.8
243.13812	3.7
244.12476	1.4
245.09499	0.7
245.13271	0.7
245.15396	10.3
246.10437	0.8
247.11163	1.3
247.15057	0.9
248.15591	0.5
249.12755	0.6
249.16565	0.8
251.14362	1.2
255.11562	0.6
255.13818	5.7
256.12347	0.8
257.13226	0.9
257.15494	1.5
258.14178	1.1
259.11053	0.9
259.13141	5.7
260.11859	0.8
261.12689	1.6
263.14066	0.9
263.16537	2.7
268.12424	0.6
269.09900	0.6
269.13281	1.6
270.14124	0.6
271.10922	1.0
271.15265	0.6
273.12561	0.8
273.14859	11.0
273.17328	0.7
274.13501	0.9
275.14261	1.0
276.11499	0.5
277.16153	0.7
279.13837	1.1
284.15668	0.9
285.12738	1.6
286.13547	1.0
287.14285	1.7
288.15158	0.9
289.15881	1.0
291.16086	2.3
296.12006	0.6
297.12762	1.5
298.13705	0.8
298.17184	0.7
299.14267	1.7
299.17776	1.0
300.15176	1.2
301.15906	1.9
302.16513	0.8
303.17627	0.6
311.14499	1.4
312.15176	1.4
313.15857	1.8
315.17441	3.2
317.18948	3.4
326.16681	1.1
327.13998	0.7
327.17484	5.3
328.18271	1.4
329.15298	1.3
329.18970	1.2
331.16934	0.6
331.20636	1.5
333.18695	0.8
341.19064	4.8
345.18497	4.9
351.19669	0.6
354.16241	0.6
357.18469	1.9
359.20129	4.4
361.17899	0.9
363.19724	0.6
369.18530	2.9
375.19525	0.8
377.21158	1.0
387.19553	6.7
389.21176	3.0
391.22626	3.7
401.21072	8.2
405.20554	3.1
407.22110	1.9
419.22180	15.1
437.23334	5.1
487.24701	0.8
487.91141	0.6
491.24429	2.7
505.25882	3.1
509.25281	1.2
523.27087	1.1
567.27216	0.6
639.30023	3.4
653.30908	1.3
671.31250	0.8
671.41357	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53671	2.5
51.02371	3.3
53.03951	13.4
55.01314	2.2
55.01890	13.1
55.05517	33.3
67.05490	6.4
69.03432	7.3
69.07044	3.2
70.74023	7.2
77.03931	3.7
79.05499	12.5
81.03415	13.3
81.07066	6.2
83.04990	45.6
91.05489	27.0
93.07040	13.4
95.01339	2.2
95.04978	19.2
95.08634	4.8
103.05465	16.6
103.28609	2.0
104.05785	4.4
105.03397	100.0
105.07024	18.1
107.04961	9.6
107.08611	4.9
109.06532	3.6
109.10172	3.8
115.05473	9.9
117.07043	15.3
119.08578	32.3
120.08948	3.9
121.06487	5.2
121.10149	5.9
126.24967	2.0
128.06221	9.5
129.07007	9.0
130.52347	2.5
131.04924	20.4
131.08565	16.4
132.05280	7.3
132.08858	2.9
132.99934	2.6
133.06473	6.1
133.10161	14.3
135.08044	3.4
141.07016	7.2
142.07777	7.2
143.08611	15.4
145.06537	15.2
145.10173	18.0
146.10568	2.8
147.06934	4.3
147.08054	48.7
147.11728	3.6
148.08423	8.3
149.09625	10.6
153.07051	3.9
155.08574	6.9
156.09329	8.9
157.10159	21.0
158.07291	4.6
158.10547	2.8
159.08087	24.0
159.11720	10.3
160.08456	3.8
160.12039	3.9
161.09642	30.1
162.09985	4.0
163.07504	3.0
165.07008	5.8
166.07809	3.0
167.08545	8.5
168.09373	4.3
169.06483	2.9
169.10172	15.5
170.10962	3.6
171.08081	12.7
171.11714	20.0
173.05954	9.2
173.09595	14.5
173.13258	6.6
175.07550	10.4
175.11209	2.7
176.07918	2.6
178.07826	3.4
179.08629	7.6
180.09326	5.4
181.10094	5.8
182.10950	6.6
183.08084	5.6
183.11682	24.8
184.08835	2.4
185.09645	11.1
185.13310	7.7
187.07587	4.2
187.11200	7.6
187.14821	4.7
189.09099	3.5
192.09387	3.2
193.10135	6.8
194.10805	3.2
195.08072	3.6
195.11696	7.4
196.08826	3.8
197.09593	8.3
197.13260	22.6
198.10187	3.8
199.11267	13.3
201.09160	4.5
201.12773	7.2
203.08553	2.9
205.10088	2.7
207.11746	9.4
208.08907	3.8
209.09596	6.1
209.13263	3.2
211.11147	13.6
213.12672	14.3
215.08502	3.3
215.10730	2.3
215.14345	13.3
217.10071	3.1
218.10829	4.3
219.11514	3.9
221.13266	7.2
223.11250	16.4
225.12823	5.5
229.10222	4.5
229.12215	16.9
230.10814	3.3
231.11655	7.1
233.13222	3.5
233.15430	3.0
235.11162	5.3
235.14772	4.7
237.09070	4.8
237.12762	7.7
239.10770	5.2
241.10069	2.7
242.10901	2.9
243.11624	5.6
243.13895	5.8
245.09583	3.1
245.13333	6.8
246.10358	2.7
247.14902	5.6
249.12421	2.7
249.16484	2.7
254.10867	3.1
255.11623	6.3
256.12488	4.0
257.13113	4.2
258.13889	3.3
259.13266	4.9
260.11874	3.6
261.12714	5.2
263.14337	6.5
268.12494	4.9
269.13235	5.0
270.14081	4.8
272.11801	4.0
273.12714	7.5
274.13452	3.4
275.14331	4.8
275.17877	2.8
277.12320	2.8
280.12329	3.7
281.13138	3.4
283.11096	7.4
283.14590	4.4
285.16327	7.7
286.13623	2.9
287.14355	8.2
288.15167	3.8
289.15817	4.3
295.14694	4.0
297.12787	7.9
297.16074	4.1
298.13559	11.3
299.14218	6.4
299.17761	3.3
301.15646	5.3
303.17334	6.9
308.11798	2.8
309.12747	10.2
310.13602	4.0
311.14413	5.3
312.14948	5.8
313.15900	20.3
314.13065	3.3
314.16461	4.9
315.13644	3.7
315.17310	5.5
317.18661	3.0
323.14343	13.3
324.15048	7.5
325.15967	4.1
325.19595	4.4
326.16574	5.2
327.17163	5.9
328.18161	5.4
329.15314	6.4
329.18924	5.7
331.16891	22.8
338.16763	10.9
340.18396	2.8
341.15530	4.2
341.19110	13.2
343.16858	3.8
343.20560	14.2
345.18497	6.5
347.20087	5.4
353.18994	31.7
359.20114	9.0
361.21671	8.7
371.20062	81.3
389.21146	62.2
407.22015	2.8
408.22681	2.8
417.20685	3.7
431.22147	13.4
449.23260	27.3
450.23416	2.7
493.23410	2.7
653.30573	10.4
671.31165	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	671.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
67.05511	1.9
69.07066	1.2
69.47630	4.4
79.05503	1.1
81.07085	1.2
82.41763	0.6
84.04515	2.2
89.39432	0.5
91.05487	1.1
91.88969	0.6
93.07046	0.7
95.08627	1.0
101.59817	0.6
105.07056	1.2
107.08629	1.0
109.10163	1.4
119.08594	1.4
121.10143	0.7
209.10945	0.6
237.13857	0.7
275.15839	0.7
297.46634	0.7
309.37015	0.7
329.02838	0.7
367.19275	1.0
395.18454	1.2
407.18466	0.9
408.19440	1.2
411.21643	0.8
423.17850	0.9
425.23557	0.8
437.23618	1.3
438.20667	2.5
439.21008	0.8
445.20255	1.4
449.23932	1.3
451.21106	0.9
453.22830	4.9
459.21796	1.0
460.22812	0.8
461.23596	0.9
465.23242	0.8
469.26224	1.9
474.24442	1.1
476.22174	1.2
477.22995	2.5
479.20804	1.7
480.26035	0.8
495.24353	0.7
497.25421	4.4
503.20486	1.6
505.18506	0.9
507.23773	1.3
512.27954	3.1
520.24493	1.2
523.19800	1.0
523.27393	1.1
525.24982	2.6
533.25269	2.1
535.27612	1.0
537.25409	1.2
538.25897	2.8
540.27216	7.3
545.25800	0.8
551.26483	2.4
561.25165	2.0
562.26788	0.7
563.26862	2.9
575.23260	0.7
579.26752	3.1
589.24542	1.6
593.27655	1.2
607.25397	1.7
611.28259	2.2
639.28223	7.9
653.29333	0.9
671.30774	100.0
672.30939	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	671.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.0
67.05500	1.6
79.05493	2.0
79.97918	0.6
81.03441	0.6
81.07056	2.6
83.08601	0.6
91.05482	2.0
91.69556	0.6
93.07065	1.8
95.04996	0.9
95.08620	1.5
105.07065	1.0
107.08566	1.5
118.01224	0.6
119.08625	1.1
121.10123	0.8
129.24022	0.5
131.08565	0.7
135.11739	0.9
161.06114	0.6
209.10687	0.8
225.14012	0.6
235.12512	0.8
237.10321	1.2
237.13826	0.7
243.11334	0.9
277.13376	0.8
328.14618	0.7
333.14893	0.7
365.17648	0.6
367.19440	1.1
377.17908	0.8
379.19473	1.0
393.21112	1.0
395.18832	1.8
401.17477	0.7
405.56628	0.6
407.18463	1.2
409.20206	1.2
410.20996	1.6
411.21790	0.7
421.20572	1.3
422.21262	0.7
423.17975	1.0
431.18808	1.0
433.20566	0.9
435.17624	1.1
435.22858	0.9
436.22964	1.0
437.19684	1.9
437.24481	1.2
438.20532	2.9
439.21429	1.2
445.20480	1.1
446.20819	0.8
447.21985	1.3
449.19855	1.7
450.20734	1.6
451.21329	1.6
453.22980	6.9
454.23904	1.4
459.22260	0.9
460.22784	0.9
463.21405	1.9
465.23758	1.0
469.26303	1.7
473.23587	1.1
474.24271	2.2
475.21118	1.3
476.22141	1.4
477.23166	1.8
479.21445	1.0
482.23563	0.8
483.23972	1.6
491.21198	1.2
492.21289	1.1
497.25717	3.0
501.23059	1.2
502.23776	2.1
503.20755	1.2
507.23843	1.3
509.22092	1.8
512.27942	2.6
520.24524	0.8
521.22192	1.2
522.22260	3.3
523.20471	1.1
524.24097	2.7
525.24835	3.1
529.22546	1.4
530.23065	1.0
533.25732	1.6
535.23938	0.7
536.23920	1.3
537.24377	0.8
538.25610	2.2
540.27374	8.0
545.25275	3.8
551.22058	3.2
552.23859	1.0
561.25153	1.9
563.26569	2.4
564.24286	0.6
565.25214	0.7
567.25909	0.9
579.25385	1.6
589.24384	3.9
593.27905	1.4
595.25201	1.1
599.27686	0.8
607.25793	0.9
611.24939	13.4
627.28143	6.6
639.24640	17.2
640.23840	0.9
653.29718	1.3
671.30762	100.0
672.31274	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	671.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.05268	4.5
55.05515	67.0
79.05479	7.9
81.07079	2.5
83.04986	100.0
91.05469	17.8
93.07033	6.3
95.04979	4.0
95.08599	4.3
98.21541	4.1
103.05485	5.3
105.07034	25.7
107.08579	3.9
107.59609	2.5
115.03882	2.4
115.05450	6.8
117.07006	11.3
119.08595	18.3
121.06511	3.2
125.02349	2.3
128.06230	5.3
129.06992	7.4
129.95461	2.5
131.04933	5.6
131.08559	12.5
133.06525	11.9
133.10136	15.6
135.08113	5.8
141.07019	3.6
142.07770	8.0
143.08565	12.9
145.06485	7.2
145.10118	13.3
147.08012	13.0
147.11600	2.4
149.09625	5.3
155.08510	8.1
156.09360	18.7
157.09085	3.0
157.10143	25.0
158.07346	2.8
159.08051	9.5
161.05986	17.2
161.09547	11.4
163.07487	3.3
163.11169	6.8
165.07004	4.3
167.08540	5.1
168.09311	4.8
169.10138	13.8
169.24553	2.5
170.10875	10.0
171.08037	7.7
171.11696	50.8
173.05954	3.0
173.09587	12.9
173.13307	3.9
175.07529	7.9
175.11200	3.5
177.05420	3.4
177.09097	5.0
179.07101	3.2
179.08568	6.2
180.09334	2.8
181.10117	4.1
182.10942	2.7
183.08043	4.6
183.11685	27.5
185.09624	9.7
185.13266	37.1
187.07605	3.4
187.11217	5.1
189.05467	5.2
192.09258	2.6
193.08591	4.4
193.10098	5.2
195.11600	11.0
197.09605	6.4
197.13263	8.5
198.10414	5.0
199.07686	2.7
199.11201	15.1
201.09090	3.1
201.12761	3.3
204.09308	3.4
205.10242	3.5
205.12213	5.1
207.11665	7.8
209.09612	5.0
211.07698	3.8
211.11209	13.9
213.09251	4.4
213.12756	37.6
217.10220	3.3
219.11716	5.4
221.13301	5.4
223.11151	4.8
229.10217	5.2
229.12215	4.8
230.10936	2.8
231.11810	3.6
231.13849	4.2
233.13303	5.2
234.10262	2.9
235.14865	4.0
241.12267	9.2
243.11650	6.9
243.13821	9.5
245.13380	2.9
245.15402	33.3
251.14516	2.5
255.11584	4.1
255.13895	5.5
256.12427	5.7
257.13278	6.8
259.15073	3.5
261.12726	4.6
267.11572	3.3
270.14038	7.0
271.13278	2.7
271.15057	3.3
273.14932	14.4
275.14096	3.7
282.14059	4.2
283.11050	4.1
283.14670	2.7
285.12964	2.9
285.16214	4.4
287.10992	3.2
287.14096	5.6
288.15656	3.2
297.12613	3.0
298.13544	4.0
299.14374	3.9
299.17935	4.4
301.15924	3.3
303.13937	2.7
303.17496	3.1
313.12277	5.5
313.15689	4.7
315.13794	4.5
315.17319	5.0
317.15308	4.9
317.19040	3.2
323.14484	3.1
327.13937	4.4
327.17392	5.8
329.15280	8.2
330.16400	2.9
331.16879	10.0
333.18094	3.1
341.15427	11.2
343.13107	3.9
343.17044	5.4
345.18521	8.0
347.16528	3.2
349.17960	5.8
355.16974	11.4
359.16403	14.7
361.14212	5.7
371.16406	3.7
373.18015	24.8
377.17480	7.1
383.16446	8.5
387.19415	3.6
389.17233	3.5
391.18991	10.2
401.17596	25.3
403.18860	3.3
405.20639	7.1
415.18954	11.6
419.18484	21.6
421.20511	4.5
423.21591	8.0
433.20102	40.4
451.21271	32.8
469.21463	3.9
479.20493	7.9
493.21881	4.0
497.21725	3.0
511.23331	12.7
539.22833	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	671.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.05513	72.5
60.03334	1.7
67.05508	3.1
69.03431	2.2
69.07061	2.7
71.71478	2.0
79.05496	8.9
81.07037	3.1
83.04984	100.0
91.05463	18.2
93.07043	7.8
95.04971	4.9
95.08618	4.2
103.05460	6.3
105.07040	35.3
107.04876	2.9
107.08580	6.4
109.06554	2.6
111.78510	1.8
115.05469	7.1
117.07027	14.8
119.08586	25.4
121.06459	3.2
121.10132	2.6
123.08092	2.1
128.06221	8.1
129.07027	8.2
130.07750	3.6
131.04929	3.5
131.08578	18.4
133.06488	17.4
133.10106	15.8
135.07993	4.9
141.06989	4.3
142.07762	8.1
143.08575	15.5
145.06477	8.8
145.10147	18.7
147.08063	17.1
149.09637	7.1
153.07013	3.8
155.08548	11.7
156.09422	17.3
157.08923	3.5
157.10130	27.3
159.08073	10.2
159.11693	9.4
161.05984	27.6
161.09633	8.7
163.07567	6.4
163.11174	8.4
165.06961	4.0
166.07764	2.4
167.08571	4.9
168.09300	5.1
169.06435	3.3
169.10150	20.6
170.10904	16.0
171.08044	13.6
171.11696	55.1
172.08797	2.7
173.05984	6.0
173.09639	20.2
173.13222	3.3
175.07539	10.2
177.09088	4.4
179.07031	4.8
179.08560	3.7
180.09242	1.9
181.10147	3.6
182.10843	3.3
183.08083	7.0
183.11699	45.2
183.13243	3.9
184.08865	5.5
184.12454	2.7
185.09636	15.7
185.13263	36.3
187.07520	6.2
187.11238	6.9
189.05461	6.4
189.09158	3.2
191.07062	2.5
191.10675	3.0
192.09424	2.2
193.08546	2.9
193.10143	4.6
195.07982	3.3
195.11694	11.6
197.09647	10.5
197.13217	9.5
198.10361	8.7
199.07535	5.6
199.11169	24.8
200.11980	3.1
201.09135	6.2
201.12720	6.8
205.12213	5.5
206.10973	3.3
207.06551	3.1
207.11719	7.4
209.09657	4.7
209.13225	3.4
211.07596	2.8
211.11159	17.1
213.09094	6.9
213.12737	57.4
215.10623	2.6
218.10913	4.5
219.11697	4.4
220.12433	3.2
221.09859	2.2
221.13239	5.9
223.11166	6.1
225.09036	3.0
225.12766	4.2
227.10602	4.8
227.14299	2.5
229.10199	5.2
229.12212	8.9
230.10907	6.0
231.10016	4.1
231.11919	3.7
231.13779	4.7
232.12431	2.7
233.09683	3.1
233.13423	4.1
235.11115	4.5
237.12741	5.5
239.10617	3.6
241.12303	6.5
243.11691	5.5
243.13858	13.6
244.12471	5.7
245.13341	4.7
245.15364	19.2
246.13947	4.3
247.11163	2.6
249.12779	3.3
251.10567	3.4
251.14351	3.2
255.11638	7.1
255.13950	4.8
256.12418	6.3
257.13232	7.9
258.10291	2.4
258.13989	6.7
259.11002	2.7
259.14859	5.8
261.12671	4.9
261.16489	2.7
263.14322	2.8
267.11667	4.4
268.12390	4.5
269.13174	8.4
270.14041	6.7
271.12851	3.7
271.15140	4.2
272.15793	2.7
273.12497	5.0
273.14828	22.3
274.13309	2.3
275.14395	4.2
275.17993	3.0
279.11603	3.1
282.14142	2.6
283.11194	4.0
283.14761	3.9
284.15579	4.6
285.12827	3.1
285.16290	9.1
286.16953	2.8
287.14261	5.9
288.15015	2.5
294.13922	2.5
297.12747	4.1
298.13519	5.4
299.14206	7.1
299.17859	6.1
300.11401	2.3
301.15778	7.7
303.13876	4.3
303.17371	4.4
303.73923	2.8
311.14117	3.1
311.18884	2.3
312.15094	5.0
313.12384	3.2
313.15707	10.5
314.16623	3.4
315.13715	6.5
315.17139	3.7
316.14563	3.0
317.15350	4.9
317.18970	4.7
327.13867	3.3
327.17447	5.0
329.15256	7.2
331.13434	3.7
331.16876	16.0
335.16565	2.4
340.14838	2.9
341.15347	9.5
343.13110	4.0
343.16995	6.1
345.18637	10.3
347.16370	3.9
349.18005	5.4
355.16800	11.7
358.15613	2.4
359.16434	19.6
359.20264	3.3
363.19510	4.6
371.16293	3.9
373.17932	22.7
377.17429	11.7
383.16364	8.7
387.19437	4.9
391.19037	11.8
401.17453	13.2
403.18994	4.6
405.20517	12.2
415.18994	8.6
419.18472	11.0
421.19852	3.4
423.21518	9.2
433.20151	39.1
437.19595	3.4
451.21234	39.0
469.22250	4.0
479.20621	4.2
493.22174	6.0
511.23376	17.4
539.22827	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	671.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.05516	70.1
67.05468	2.1
69.03391	2.0
69.07070	3.1
70.05171	2.4
73.49417	2.0
76.45758	2.0
79.05499	5.2
81.07048	3.5
83.04983	100.0
91.05489	17.6
93.07041	9.3
95.04986	4.0
95.08593	2.9
101.69262	2.2
103.05463	2.9
105.07037	28.7
107.08566	6.7
109.06481	4.2
109.82276	2.1
115.05480	6.2
116.06277	3.1
117.07018	10.1
119.04956	2.3
119.08576	19.3
121.06528	4.5
121.10155	2.8
128.06206	8.1
129.06985	6.5
131.08607	16.9
133.06514	13.0
133.10112	19.2
135.08044	5.3
141.07004	6.4
142.07857	5.4
143.08588	17.7
145.06465	8.1
145.10144	16.1
147.08031	10.0
147.11670	3.0
149.05978	2.5
149.09604	7.9
154.07738	4.2
155.08527	9.9
156.09386	15.9
157.06502	2.8
157.10141	29.1
159.04399	2.6
159.08070	7.0
159.11700	6.3
161.06001	17.8
161.09607	9.6
163.07545	3.1
163.11156	7.0
165.07034	2.9
167.08603	4.2
168.09375	2.7
169.10098	16.5
170.10927	12.0
171.08057	9.9
171.11696	51.9
173.05997	6.0
173.09616	12.7
173.13249	3.9
175.07558	9.9
177.05463	3.4
177.09071	4.5
179.07065	4.0
179.08521	3.4
180.09317	5.4
181.10132	5.5
182.10941	4.4
183.08038	3.9
183.11710	34.7
184.08847	4.0
185.09634	12.9
185.13249	36.9
187.07510	3.6
187.11224	4.6
189.05504	5.7
193.10193	3.9
195.11708	13.1
197.09674	11.9
197.13286	9.3
198.10326	7.1
199.07599	3.5
199.11220	16.9
199.23503	2.5
200.11963	2.7
201.09114	2.3
201.12563	3.0
205.12250	3.5
206.10854	3.2
207.11780	7.3
211.11142	11.6
213.09203	4.6
213.12735	47.1
215.10657	3.7
217.10245	4.0
217.12088	3.0
219.11653	4.3
220.12476	4.9
221.13231	4.2
223.11353	5.2
225.09050	3.7
229.10283	3.1
229.12254	4.9
230.10962	3.3
231.11806	4.7
231.13791	5.0
232.12462	3.1
233.09586	2.7
233.13210	6.7
235.10994	3.3
235.14818	4.0
237.12723	3.7
239.10623	2.8
241.12320	5.3
243.11612	4.6
243.13843	10.2
244.12428	4.6
245.13316	3.7
245.15401	30.1
246.10493	2.5
247.11031	4.4
247.14859	4.2
249.12784	2.6
255.11612	6.4
255.13893	3.4
256.12500	4.6
257.13290	7.3
258.14056	6.4
259.14868	6.1
260.15674	2.7
261.12640	3.3
267.11765	4.3
269.13184	8.9
270.14063	4.9
271.10828	2.9
271.14908	4.0
273.12289	3.2
273.14749	20.0
275.14297	3.7
275.17841	2.8
282.14063	3.8
283.11237	3.7
283.14731	4.5
284.15573	3.8
285.12827	3.9
285.16370	8.3
286.13425	3.4
287.14371	3.7
297.12643	5.5
298.13474	4.4
299.14313	3.7
300.11514	2.4
301.12173	5.1
301.15680	3.0
303.13895	4.6
303.17267	5.1
311.14258	3.2
313.15872	7.1
315.13733	4.6
315.17163	3.3
317.15237	3.5
317.18750	3.0
327.13757	3.9
327.17377	8.8
329.15198	7.7
329.18735	3.3
331.16681	14.6
341.15305	6.7
343.16962	3.0
345.18488	9.9
347.16245	4.4
349.18222	5.1
355.16782	11.9
358.15448	3.1
359.16367	18.5
361.18082	3.5
363.19370	3.8
371.16507	5.7
373.18143	18.5
377.17398	6.9
383.16214	5.5
387.19235	3.2
389.17465	2.9
391.18948	9.9
401.17416	22.6
405.20490	9.3
409.20163	3.3
415.18958	6.8
419.18576	19.0
421.20099	4.5
423.21484	7.0
433.20181	35.0
451.21164	33.7
469.22403	2.5
475.21393	2.8
479.20627	7.0
493.21912	8.0
511.23505	16.7
553.24438	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	671.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01855	2.6
55.05515	56.8
67.05499	2.9
69.03424	1.7
69.07034	3.1
69.18226	14.7
69.21560	1.6
79.05501	6.8
81.07067	2.9
81.71444	1.3
83.04984	100.0
91.05468	11.1
93.07037	8.4
95.04977	3.3
95.08591	6.3
105.07053	13.3
107.04966	2.7
107.08571	3.5
110.62413	1.5
115.05499	3.9
117.07034	7.4
119.08578	14.3
121.06536	3.8
121.10133	2.8
123.08044	3.4
128.06253	2.7
129.06993	5.2
130.07803	1.5
131.08595	10.5
133.06523	7.5
133.10136	8.4
135.08080	7.0
141.06947	3.4
142.07785	5.4
143.08557	8.9
145.06464	5.8
145.10164	11.4
147.08031	10.1
147.11726	1.7
149.05997	2.9
149.09593	7.9
155.08569	7.4
156.09415	8.2
157.06514	2.2
157.10146	13.1
159.08069	6.6
159.11696	2.9
161.06003	5.8
161.09610	5.5
163.11180	4.3
167.08531	2.9
169.10170	10.8
170.10925	3.8
171.08037	8.0
171.11691	26.2
173.09598	12.2
175.07561	5.9
175.11115	1.7
177.09064	2.7
178.07881	1.5
179.07042	3.5
179.08501	2.1
181.10118	5.4
183.08047	4.4
183.11711	18.4
184.12410	1.9
185.09659	6.8
185.13252	18.5
186.10312	1.7
187.07475	2.0
187.11159	2.6
189.05396	2.5
189.09113	1.9
192.09361	2.5
193.08566	2.8
193.10173	3.0
195.11626	4.0
197.09633	5.6
197.13248	6.3
198.10432	3.3
199.07565	1.6
199.11169	12.0
201.09143	3.5
205.10201	3.5
207.11697	4.9
209.09599	2.1
209.13290	2.0
211.11212	10.5
213.09189	2.1
213.12756	25.3
215.10612	1.7
217.12285	2.1
219.11720	3.2
220.12393	2.3
221.13237	3.8
223.11186	3.8
223.14853	1.9
229.10254	3.2
229.12300	3.6
230.10887	2.4
231.10017	3.3
231.11940	2.2
231.13744	2.7
232.12439	2.9
233.13300	4.6
234.13985	2.1
235.11209	2.3
235.14803	3.1
237.12706	3.7
241.12260	2.6
242.10834	1.5
243.11716	2.4
243.13788	3.6
244.12433	2.2
245.13399	3.4
245.15410	9.1
246.14211	2.4
247.11143	1.7
248.15649	1.5
249.12798	3.9
249.16284	2.3
255.11523	2.4
255.13895	2.8
256.12585	2.6
257.13290	5.3
258.14059	2.7
259.14896	4.9
260.11957	1.5
261.12753	4.1
261.16571	2.6
263.14294	2.5
270.14108	2.8
271.14932	4.3
272.15677	2.7
273.14450	7.8
275.14297	3.8
275.17661	1.8
277.12289	1.6
277.15738	2.1
278.65524	1.5
283.14752	1.8
285.12750	2.9
285.16339	3.7
286.13428	2.7
287.02426	1.6
287.14230	4.2
287.17749	2.3
288.15005	2.4
289.15723	2.9
291.17258	4.0
299.14270	1.9
301.15723	4.5
303.14087	2.0
303.17380	6.5
305.18777	1.8
313.15881	3.5
315.17349	4.4
316.14456	1.7
317.18951	2.5
319.17068	2.6
321.18600	2.0
327.17215	2.3
329.15323	2.2
331.16867	8.3
333.18338	1.6
341.15320	2.6
343.16855	3.6
345.18448	3.7
347.16467	2.0
349.18005	5.8
351.19754	2.4
355.17047	3.1
359.16333	6.0
361.18097	3.3
363.19482	6.1
373.18100	9.8
375.19693	1.9
377.17349	5.6
377.21445	2.4
387.19421	3.1
389.21408	2.2
391.19177	11.4
395.22229	2.1
401.17450	5.9
405.20584	8.8
407.22263	1.9
411.21490	2.9
419.18539	8.9
421.20084	2.0
423.21725	8.3
433.20157	16.0
437.19449	1.9
451.21167	24.8
465.22385	3.5
469.22830	2.9
479.20758	2.6
483.23969	2.6
493.22037	7.7
511.23108	7.0
551.26044	3.9
553.23901	1.9
607.53949	1.7
611.28345	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	671.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98339	1.8
53.03946	3.0
55.01856	2.4
55.05518	64.3
69.07064	2.2
70.26118	7.5
79.05487	6.0
81.07052	4.2
83.01310	2.5
83.04989	100.0
91.05480	11.7
93.07034	5.0
93.49600	2.0
95.04953	5.0
95.08597	4.9
98.20638	2.1
99.63914	1.8
103.02923	1.9
103.05453	3.5
105.07049	11.5
107.04914	1.9
107.08595	6.5
109.06502	2.7
115.05456	3.4
117.07033	7.8
117.64790	1.9
117.91070	1.9
119.04979	2.6
119.08611	14.0
121.10140	3.2
128.06180	4.6
129.07039	4.1
131.04915	3.1
131.08589	9.1
133.06497	5.9
133.10110	9.5
135.08078	4.5
137.09671	2.9
141.06955	3.3
142.07790	3.7
143.08607	11.1
145.06461	4.9
145.10149	11.6
147.08063	8.6
149.09612	8.2
151.07475	2.0
155.08549	7.2
156.09346	7.0
157.06534	2.0
157.10143	19.9
159.08052	7.5
159.11710	3.9
161.05968	8.4
161.09644	6.2
163.11177	6.0
165.06964	4.0
167.08514	3.1
169.10165	9.6
170.10947	5.5
171.08040	6.4
171.11670	24.1
173.09612	13.0
173.13231	2.4
175.07582	6.1
175.11053	1.8
177.05557	3.1
179.07037	5.7
181.10118	4.9
183.08069	3.7
183.11694	17.9
184.12363	1.9
185.09660	7.3
185.13278	18.6
187.11163	5.7
189.09239	3.4
193.10170	4.0
195.11714	6.6
197.09584	7.2
197.13261	5.3
198.10382	2.7
199.11198	12.6
201.12732	2.3
205.12152	2.2
207.11760	6.3
209.09515	2.5
209.13242	2.8
211.11209	7.7
213.09264	3.1
213.12759	28.0
215.10631	2.4
219.11690	4.2
221.09636	2.7
221.13309	4.9
227.10645	2.4
229.12157	4.2
231.09947	2.4
231.11861	3.2
233.13367	4.2
234.14143	2.2
241.12323	3.7
243.11823	3.8
243.13914	6.6
244.12404	3.3
245.13383	2.2
245.15396	11.5
246.13936	3.8
247.14977	3.1
249.12700	2.6
257.13245	3.8
258.14133	3.0
259.14755	6.6
260.15497	2.1
261.12762	5.1
261.16397	3.6
263.14175	3.1
269.13120	2.7
270.14066	3.9
273.14578	11.1
275.14310	3.0
275.17941	3.3
285.16425	4.0
287.14514	4.7
287.17896	3.6
293.15231	2.5
299.14136	2.6
301.15891	3.1
303.17520	5.6
313.15723	5.0
315.17453	4.5
317.15317	3.5
317.18970	3.0
327.17184	3.4
331.16873	8.0
333.18173	2.5
341.15411	3.1
343.16803	3.2
345.18494	5.7
347.16373	2.9
349.18063	5.6
355.17096	4.7
359.16293	6.3
361.17789	2.8
363.19608	4.9
373.17841	10.9
375.19626	2.8
377.17288	6.7
387.19443	3.3
391.19131	12.3
401.17480	7.1
405.20657	9.4
419.18414	6.8
421.19852	3.1
423.21625	8.4
433.20157	18.6
451.21225	22.2
479.20670	2.3
493.22256	10.2
511.23343	11.6
551.26154	3.1
611.28156	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	671.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.01865	4.0
55.03310	2.3
55.05517	70.5
67.05496	6.1
69.03427	4.4
69.07038	4.4
76.61948	2.1
79.05486	10.0
81.03408	7.5
81.07057	5.4
83.04987	100.0
91.05493	23.1
93.07052	13.6
95.01332	10.1
95.04974	9.2
103.05472	29.1
105.07030	24.4
107.04944	4.2
107.08596	7.6
109.06514	6.4
109.10139	2.4
109.39076	2.0
115.05461	7.4
116.06219	2.3
116.35138	2.2
117.07041	11.8
119.04911	3.8
119.08602	21.3
121.06499	10.2
121.10139	6.1
128.06209	9.8
129.06990	10.0
131.04941	55.1
131.08569	14.8
133.06517	11.7
133.10158	19.4
135.08040	6.8
141.07030	5.9
142.07770	8.9
143.08582	18.0
145.06505	12.1
145.10123	10.1
147.08069	11.6
149.06020	5.0
149.09637	4.7
153.06947	3.7
155.08536	14.7
156.09334	16.0
157.06538	3.4
157.10138	24.9
159.08054	16.5
159.11667	9.0
161.06003	19.0
161.09708	11.9
162.06758	5.7
163.07542	4.0
163.11214	4.1
165.06953	6.3
165.09036	4.3
167.08591	3.1
168.09341	5.0
169.06577	2.8
169.10129	18.6
170.10948	15.6
171.08060	14.3
171.11699	42.9
172.08844	5.9
173.05978	5.1
173.09656	14.3
173.13254	4.8
175.07599	2.8
177.05472	9.0
177.09012	4.2
179.08574	5.4
180.09366	4.8
181.06538	3.9
181.10124	7.5
183.08044	10.9
183.11670	29.9
184.12552	3.7
185.09657	13.4
185.13264	29.7
187.07552	4.4
187.11172	5.2
190.06297	5.2
193.10133	4.5
195.08025	4.8
195.11690	11.5
197.09630	10.9
197.13274	9.8
198.10416	6.8
199.07608	4.6
199.11203	17.7
200.08359	7.9
200.12048	2.8
201.09094	6.0
201.12759	4.5
203.08582	2.3
204.09375	2.3
205.10233	5.3
205.12131	3.3
207.11716	7.3
208.12459	2.8
209.09575	6.0
209.13297	5.4
211.11166	7.9
213.09178	4.8
213.12753	42.4
214.13315	3.2
215.10681	3.7
215.14543	3.9
217.10289	3.0
218.11029	4.3
219.11720	3.4
220.12477	3.5
221.09575	2.8
221.13240	6.6
223.11130	6.7
223.14828	4.4
225.09216	2.9
225.12766	5.2
227.10692	3.6
228.07822	8.1
229.10303	4.4
229.12346	4.8
230.10876	4.8
231.09984	3.0
231.11893	3.4
231.13831	4.0
233.09583	2.8
233.13332	5.4
234.14082	3.0
235.14854	3.7
237.12679	6.1
239.08691	3.2
241.08426	3.2
241.12273	5.6
243.11751	3.3
243.13838	8.8
244.12514	2.9
245.13359	4.5
245.15414	14.5
247.11169	2.8
247.14882	5.0
248.12035	3.5
249.12790	6.5
255.11568	4.1
255.13913	4.4
257.13388	4.5
261.12744	5.9
261.16449	3.4
263.14334	4.4
265.15820	2.9
269.09833	2.9
269.12930	3.6
270.14059	2.8
271.14713	5.0
272.15289	2.7
273.12521	2.9
273.14871	23.7
275.14206	3.8
275.17899	4.1
277.12216	3.9
285.12680	3.2
285.16306	3.1
286.13583	3.9
287.14423	4.5
289.15982	3.3
293.15247	3.1
297.12537	3.8
298.13412	3.9
299.13959	4.1
301.12469	3.6
301.15848	7.5
303.13898	4.2
303.17487	6.7
311.14319	6.3
313.12344	2.7
313.15778	6.4
315.14008	3.2
315.17532	3.1
316.14529	4.4
317.15143	2.5
317.18835	2.5
319.16980	3.2
327.13742	3.8
327.17340	6.7
329.15543	4.8
329.18890	3.9
330.16174	4.2
331.16794	8.1
331.20453	3.1
341.15375	4.5
343.16849	11.0
345.18408	8.7
347.16339	2.6
355.16907	4.6
357.18637	6.3
359.16238	7.9
359.20184	5.3
361.18091	6.2
369.18494	4.0
372.17166	2.5
373.17853	10.2
375.19437	6.8
377.21292	3.0
383.16141	3.0
387.19699	11.6
391.19019	4.5
401.17081	3.2
404.19846	2.6
405.20575	20.5
417.20544	4.8
423.21887	4.9
433.20010	7.3
435.21780	5.1
451.21045	5.8
519.23700	3.0
537.24902	3.1
599.15967	2.3
637.30121	5.9
653.29401	5.7
671.27484	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	670.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01858	4.0
55.05515	17.6
57.03434	8.4
57.07084	16.4
57.95622	3.1
58.06594	4.1
67.05510	48.9
69.06776	2.9
69.07076	30.5
69.14439	2.8
69.18964	14.5
69.19394	17.0
70.24355	3.3
71.08615	9.5
75.50182	2.8
79.05504	29.0
81.03393	3.0
81.07059	58.0
83.04952	7.3
83.08632	26.3
85.10176	6.0
91.05487	32.5
93.07067	36.5
95.04931	5.7
95.08620	42.1
97.06520	12.4
97.10165	14.6
105.07037	16.8
107.08577	21.9
109.10175	21.9
109.89571	4.0
111.08076	9.1
111.11739	5.0
117.07005	13.9
119.08566	13.4
121.10159	28.5
123.11719	12.0
125.09652	7.6
131.08543	11.3
133.10153	19.9
135.08022	9.9
135.11691	25.1
137.09599	4.4
139.11125	5.4
143.08466	3.1
145.10120	13.8
147.11658	9.9
149.09602	4.0
149.13264	15.1
156.22243	2.9
157.10141	4.2
159.11705	12.9
161.13245	5.9
173.13237	5.4
177.12750	8.5
183.11659	3.2
205.19557	7.9
223.20677	5.4
257.18991	6.2
275.20032	25.7
287.22192	22.6
325.20230	3.5
325.23773	67.2
327.25156	4.6
343.24826	100.0
349.23752	55.7
367.24869	50.9
450.20630	3.7
472.14111	3.4
491.57413	3.3
497.47336	3.4
592.74042	4.2
596.26135	8.8
597.27612	3.5
617.44110	25.0
635.45166	61.3
639.28650	15.6
670.29572	13.8
671.29962	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	670.359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99398	2.4
53.03939	2.3
55.01870	7.2
55.05273	3.2
55.05517	52.9
56.49936	1.6
67.05502	6.8
69.03420	2.1
69.07025	1.7
71.55388	2.3
74.44669	1.6
79.05486	6.2
81.03414	7.7
81.07058	6.7
83.04990	100.0
91.05488	18.2
93.07053	7.4
95.01324	2.2
95.04971	8.2
95.08598	4.7
103.05477	5.7
105.07043	12.0
107.04932	5.5
107.08590	5.4
109.06499	4.3
115.05455	8.0
116.06237	2.1
117.07024	13.9
119.08580	15.9
121.06479	4.1
121.10133	3.6
128.06212	5.2
129.07037	11.1
130.07733	2.3
131.04938	2.2
131.08580	12.0
133.06491	2.8
133.10143	10.0
135.08061	2.7
140.70749	1.6
141.06943	3.0
142.07788	6.0
142.72006	1.8
143.08571	11.6
145.06522	14.2
145.10136	9.5
147.08061	45.8
149.09612	3.3
155.08545	3.4
156.09384	5.4
157.10147	21.8
158.07199	2.3
159.08063	18.9
159.11725	4.4
161.05931	1.7
161.09619	25.9
163.07626	4.7
165.06995	2.5
167.08543	2.2
169.10136	7.9
170.10875	4.2
171.08153	9.8
171.11707	31.5
172.11909	2.4
173.06015	4.4
173.09663	12.8
173.13290	3.2
175.07553	13.3
177.09056	2.4
181.10167	3.2
183.08054	2.4
183.11755	16.9
185.09592	8.1
185.13295	19.7
187.07545	2.8
187.11205	4.7
189.09142	3.9
191.10698	2.9
193.10126	2.7
193.46120	1.7
195.08192	2.2
195.11725	4.0
197.09596	3.7
197.13275	6.0
198.10356	2.5
199.11198	10.6
200.11974	4.3
201.09077	3.6
201.12790	3.7
203.10722	2.0
207.11621	4.1
209.13254	3.1
211.11172	3.0
213.09123	3.0
213.12753	16.8
215.10651	5.1
215.14131	2.3
217.08507	4.2
217.12189	4.5
221.13322	4.1
223.11113	2.6
225.12675	2.8
227.10690	3.6
229.10152	2.2
229.12302	9.1
231.13815	22.0
233.13318	4.4
235.11151	2.4
235.14803	3.0
237.12921	2.5
241.12239	8.3
245.11700	6.3
246.10440	1.8
247.11061	2.0
247.14993	3.4
249.12785	2.4
253.12218	2.8
255.13916	2.2
259.10995	4.1
259.13251	21.0
261.12869	2.1
269.13275	3.1
271.11050	2.1
273.12601	3.1
273.16867	2.6
275.14276	2.0
283.14636	2.3
287.14447	2.4
289.15854	2.5
296.12201	1.9
297.12631	3.5
301.15912	2.4
303.17322	2.3
311.14246	4.3
312.15067	3.8
313.15897	5.4
315.17355	2.5
317.18945	4.9
321.14798	2.2
327.13831	2.6
327.17514	4.5
328.18146	2.4
329.15195	2.4
341.19138	3.9
345.18466	3.4
347.16199	4.3
357.18475	3.6
359.20117	6.0
363.19604	2.7
369.18500	6.9
375.19553	6.1
377.21063	11.6
387.19644	31.2
397.20422	2.9
405.20639	48.2
423.21725	6.0
447.21539	7.6
465.22845	20.5
476.30930	2.4
507.23663	2.4
525.24902	22.2
547.26752	2.2
607.29028	14.5
625.30273	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	670.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28209	4.9
55.05516	66.4
61.01632	4.2
67.05498	5.8
69.03437	8.3
69.64284	22.2
74.71068	4.8
78.44432	5.2
79.05492	17.4
81.07034	7.6
81.16038	4.9
83.04988	100.0
84.04487	9.8
86.56518	4.5
88.75317	4.4
91.05470	30.2
93.07034	16.6
95.04973	9.1
95.08609	7.5
98.21484	7.6
98.23462	4.3
100.03996	5.9
103.05460	9.9
105.03391	7.1
105.04545	4.8
105.06403	4.4
105.07036	29.6
107.04961	8.5
107.08604	18.9
107.54437	4.6
109.06514	9.6
115.05442	12.4
117.06997	23.3
119.04913	5.4
119.08588	33.3
121.06490	6.8
121.10153	8.3
123.08085	8.2
124.97655	5.0
128.06209	8.2
129.07036	11.3
131.04953	18.8
131.08557	19.1
132.08063	7.9
133.06471	13.1
133.10127	26.9
134.09715	5.6
135.08093	10.7
141.07004	5.9
142.07779	10.2
143.08592	22.4
145.06480	10.2
145.10124	20.4
147.08057	15.7
147.11678	4.5
147.51305	4.3
149.09647	13.2
155.08574	14.3
156.09337	15.5
157.06537	5.3
157.10181	35.3
158.07254	5.5
159.04347	5.6
159.08084	21.8
159.11742	11.2
161.05995	13.2
161.09631	12.4
163.07529	6.4
163.11218	5.1
165.06950	7.2
165.09076	7.0
167.08630	6.1
168.09352	5.4
169.10185	26.6
170.10902	16.0
171.08037	12.0
171.11725	55.9
173.09608	15.6
174.09068	6.8
175.07613	6.8
176.10793	8.0
179.08571	8.0
181.10126	9.8
183.08138	8.3
183.11722	52.6
184.12212	6.2
185.09622	16.8
185.13261	51.6
187.07605	7.9
187.11192	12.7
193.10164	11.9
195.11679	16.9
197.09631	16.7
197.13251	8.6
198.10342	5.7
199.11211	22.0
201.12724	7.1
205.12279	6.4
207.11668	7.7
211.11118	10.7
213.09148	7.8
213.12743	54.1
214.12970	5.3
217.10120	8.3
217.12177	4.8
219.11798	5.9
220.09618	9.9
220.12517	7.6
221.13298	11.4
223.11113	6.9
223.14783	8.4
225.12457	5.0
229.10252	6.8
229.12300	10.8
230.11009	8.0
231.11792	7.5
231.13870	16.8
232.12491	7.0
233.13261	11.9
235.11195	10.6
235.14940	11.1
237.12686	6.9
241.12106	5.8
243.13867	10.7
244.12413	8.8
245.13232	13.7
245.15459	10.7
247.14964	7.7
258.14069	8.0
259.14832	7.2
260.15479	6.6
270.14160	5.3
273.14728	28.5
285.16132	4.6
287.14209	5.9
291.15930	8.0
297.12521	4.9
299.14386	6.4
301.12448	5.6
301.15872	9.9
303.17355	6.8
307.16983	6.2
313.15631	8.0
314.16223	4.9
317.15472	5.3
321.18530	5.7
331.16901	10.9
332.14932	5.7
349.17761	13.1
355.16788	6.7
359.16223	9.0
373.18286	5.7
375.19736	4.8
377.17542	6.4
379.18988	8.4
389.21002	4.8
391.18964	17.3
401.17673	5.4
409.20078	16.2
414.20636	7.0
418.20233	8.7
427.21149	7.4
432.21860	8.2
433.20404	5.6
460.21207	5.6
464.24164	8.2
469.22208	6.4
474.22772	13.6
478.22354	9.4
487.23288	31.5
492.24005	20.9
510.24948	34.9
511.23068	9.5
528.26514	5.1
538.24054	10.2
552.25812	7.5
570.27039	22.5
588.28064	6.3
638.29486	16.4
670.32428	57.7
674.88373	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	670.3221
Annotation	31-Homorifamycin W
Peak:m/z	Relative Intensity
51.13606	1.2
51.65176	1.3
53.03936	1.6
55.01865	3.3
55.05505	6.4
67.05495	6.0
69.03428	18.4
69.07060	2.9
69.45928	10.1
70.06590	21.0
79.05486	7.6
80.05045	1.5
80.73112	1.3
80.74490	1.4
81.07034	5.7
82.02940	13.9
82.06580	1.4
83.01350	2.5
83.04995	8.6
84.04510	2.4
86.06068	17.7
87.04472	12.7
91.05486	11.0
93.07036	8.2
94.06592	1.8
95.04968	6.5
95.08604	5.1
97.02893	1.5
97.06542	2.2
98.05416	3.3
98.06058	68.8
103.05475	2.9
105.07020	11.0
107.04959	2.0
107.08597	7.3
109.06512	3.1
109.10173	4.8
112.07631	1.6
115.05459	6.3
116.06216	1.9
116.07056	1.7
117.07015	27.9
119.08584	19.0
121.06535	2.2
121.10146	4.2
122.06038	10.2
123.08041	3.3
124.07580	9.0
126.05524	4.9
127.03963	1.7
128.06239	4.6
129.07028	7.6
130.07722	1.7
131.04935	8.2
131.08559	14.9
133.06471	1.9
133.10132	15.5
135.08073	4.0
137.09625	2.4
140.07031	3.1
141.06985	2.8
142.07785	3.8
143.04939	4.9
143.08578	13.6
144.05708	1.8
145.06482	13.0
145.10138	9.6
146.07246	1.9
147.08069	9.7
147.11755	2.1
149.09631	5.1
150.05513	15.0
152.07118	3.3
153.07004	2.4
155.08563	9.0
156.09340	7.0
157.06566	4.1
157.10135	17.1
158.07320	2.2
159.08043	10.9
159.11723	7.0
160.08868	1.7
161.09607	11.5
165.07014	3.2
167.08598	3.0
168.06563	14.7
168.09341	2.5
169.06580	2.6
169.10146	9.5
170.10944	6.3
171.08051	8.4
171.11678	19.5
172.08821	4.3
173.06021	2.5
173.09641	10.8
173.13287	3.4
175.07600	1.9
175.11227	3.4
177.09164	1.8
179.08585	4.2
179.10707	3.2
180.09352	2.7
181.10089	6.7
183.08086	5.8
183.11659	13.8
184.08836	2.9
185.09688	5.9
185.13257	14.9
187.11205	3.8
187.14822	1.5
189.12775	3.2
193.10168	5.6
195.08119	3.9
195.11664	6.9
197.09569	10.0
197.13293	3.2
198.10461	4.2
199.07507	2.3
199.11162	25.0
199.12827	2.2
200.10756	6.5
201.09087	2.1
201.12823	1.9
202.12238	14.4
203.06995	1.8
203.08846	1.4
204.09271	1.6
206.10963	2.1
207.11685	5.2
209.09621	8.2
209.13217	3.5
210.10379	1.9
211.07625	2.8
211.11227	3.5
213.09378	1.6
213.12750	29.2
214.12326	3.3
215.10683	3.7
215.14236	2.7
217.10355	2.8
217.12181	2.5
218.10953	2.0
219.11801	3.5
220.12486	2.2
221.09637	3.1
221.13287	4.9
223.11276	4.6
223.14857	2.7
225.09079	2.9
225.12694	3.6
227.10834	2.0
228.10193	7.4
229.10292	1.7
229.12306	3.0
229.14311	3.4
230.11809	18.7
231.11670	4.4
231.13853	7.0
232.12656	2.2
233.09618	3.2
233.13258	5.5
234.10374	1.4
234.13942	1.8
235.11142	4.4
235.14905	2.7
237.12830	3.2
241.12448	2.8
242.11674	1.5
243.11635	4.6
244.12898	4.9
245.09482	1.7
245.13251	5.9
246.11230	3.3
246.14012	2.6
247.11346	4.5
247.14891	3.5
248.12840	20.5
249.08926	1.5
249.12782	3.8
251.14449	3.1
252.14095	1.6
255.11620	1.7
256.09634	3.7
256.12405	2.4
257.13342	1.9
258.11423	3.1
258.14075	4.2
259.11017	2.9
259.13147	4.0
259.15161	3.7
260.12723	1.9
260.15582	2.4
261.12726	5.2
261.16406	3.4
262.14194	5.9
263.14368	5.3
265.12146	3.8
267.11792	1.9
268.12967	2.3
269.13248	4.3
270.11176	2.5
270.13928	2.0
271.11099	2.3
271.14914	3.9
272.12378	1.4
272.15619	2.1
273.12643	2.6
273.16330	2.6
274.10834	5.2
274.13943	2.1
275.14371	3.7
275.17975	3.1
276.12173	1.8
276.15091	2.0
277.12076	1.6
277.16144	2.1
281.13199	2.0
282.14352	3.9
283.15002	2.9
284.15466	2.4
285.12949	2.7
285.16586	4.3
286.13907	1.7
287.14334	8.6
287.17676	3.4
289.12427	2.0
289.15686	2.8
291.17334	4.5
297.16214	3.4
298.13867	2.9
299.14398	4.1
299.17865	3.7
300.15222	2.3
301.16003	7.2
301.19498	1.8
302.16684	2.2
303.17667	2.0
310.14194	2.6
311.14554	2.1
311.17850	3.2
313.15781	3.8
314.16953	2.4
315.17368	2.1
319.16928	5.4
324.15118	3.7
326.13455	2.7
326.17163	2.8
327.13727	2.8
327.17389	2.4
327.72925	1.5
329.19012	5.9
331.20636	2.3
337.12396	1.7
339.17365	8.4
341.19025	2.7
343.16934	1.9
346.16406	2.7
347.20013	1.7
357.18359	10.3
359.20135	3.5
367.17108	3.4
375.19278	4.0
383.00095	1.6
385.18149	5.6
403.19208	2.2
406.20392	3.2
414.24615	1.6
421.20276	2.0
424.22922	3.7
425.20795	1.7
428.22308	3.4
442.23816	8.8
444.25336	4.0
446.23291	3.1
452.22134	3.0
458.23154	4.5
460.24887	8.2
462.26535	1.5
470.23230	18.3
476.24411	2.8
476.49774	1.6
488.24326	35.3
506.25476	34.1
507.25009	1.7
524.26276	8.1
538.26855	2.4
542.66614	1.5
548.26379	21.8
552.27954	1.8
566.18500	3.4
566.27454	64.7
567.27814	2.6
574.27429	2.7
584.28680	12.0
592.29120	4.1
593.50024	1.5
610.30121	3.2
634.30078	18.9
652.31158	100.0
653.31384	3.2
670.32227	53.4
671.32001	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3225
Annotation	Esulatin M, (rel)-
Peak:m/z	Relative Intensity
53.03929	4.4
55.01877	5.7
55.05513	38.4
56.05042	17.1
67.05511	15.9
69.03419	4.9
69.07072	3.2
69.35622	24.2
70.06593	4.8
75.32469	2.7
79.05487	10.7
79.13938	2.9
80.04997	4.8
81.03418	8.1
81.07053	13.5
82.06558	4.0
83.04980	48.6
83.08570	3.8
85.02907	3.2
89.54602	2.6
91.05490	21.6
93.07040	13.5
95.04939	5.2
95.08611	6.9
98.06052	11.3
98.21475	4.6
103.05478	9.9
105.03397	3.8
105.07040	19.2
107.04961	7.0
107.08594	11.2
108.04494	27.1
109.10158	7.9
110.06055	2.9
115.05460	6.5
117.07036	16.0
119.08575	25.9
121.06501	7.3
121.10125	4.1
126.05542	35.8
126.43983	3.8
128.06230	6.9
129.06973	8.8
131.04903	20.0
131.08562	15.1
133.06499	7.7
133.10109	15.7
135.08022	6.4
141.07024	6.5
142.07758	5.8
143.08557	19.3
145.06546	16.3
145.10143	14.6
147.08058	14.1
147.11681	4.3
149.09570	4.7
151.07593	3.1
154.05014	16.2
155.08551	5.4
156.09367	12.2
157.06497	4.9
157.10104	24.3
158.09567	5.2
159.08037	10.5
159.10506	3.6
159.11647	14.4
160.11240	8.1
161.06004	7.5
161.09637	19.3
167.08524	4.2
169.06450	3.7
169.10095	13.8
170.10927	6.2
171.08098	10.0
171.11696	37.7
173.09624	15.6
173.13286	6.1
181.10110	8.2
183.08107	6.6
183.11696	22.9
184.08781	7.7
185.09595	11.2
185.13298	21.2
186.09085	14.6
187.11240	9.7
187.14903	5.9
188.10703	73.6
189.12833	4.8
190.12262	3.1
193.10300	6.4
195.11707	9.1
197.09645	9.4
197.13271	6.5
198.10509	4.9
199.11203	29.3
200.10545	13.9
201.12767	6.7
202.12251	14.0
204.10158	4.6
207.11723	8.7
209.09633	8.4
209.13257	3.8
211.11201	10.6
213.09306	3.9
213.12767	38.9
214.08623	17.1
214.12215	3.4
216.10123	5.7
217.08470	4.8
217.10362	4.8
217.12309	5.3
219.11691	6.0
221.13315	7.4
223.11252	8.4
223.14838	3.2
225.12758	6.8
226.12331	9.3
227.10603	8.1
229.12250	4.0
229.14363	9.8
230.11331	3.0
231.11726	7.6
231.13794	11.6
232.09624	6.1
232.12422	3.8
234.11293	38.2
235.14743	4.7
237.12721	5.9
237.16273	3.3
238.12262	6.1
244.12573	6.5
245.13348	7.1
246.11284	4.6
246.13965	6.1
247.11211	6.3
247.14905	5.9
248.12794	5.0
249.12775	5.1
250.10797	3.8
258.14157	5.3
259.13098	5.3
259.15179	6.3
260.09143	12.8
260.11945	6.2
261.12589	7.0
261.16391	6.1
262.10687	6.0
262.13504	4.4
263.14600	3.4
265.12213	6.0
266.11655	3.9
268.13211	9.2
272.12354	4.5
273.16318	5.0
275.17896	6.4
277.15976	5.4
280.13211	4.5
283.14923	3.4
286.14117	4.2
287.14218	3.4
289.15997	5.0
291.17395	3.3
299.14456	5.5
299.17804	3.8
301.15863	7.9
302.16843	5.1
308.15689	3.4
312.15326	3.9
315.17664	3.6
319.16809	3.0
327.17557	4.1
339.17474	3.7
343.16403	3.4
358.21585	4.1
382.21933	4.1
396.18314	3.6
400.22980	6.5
402.20770	4.2
407.17007	14.8
410.21173	5.6
414.20718	6.2
416.17950	5.5
416.22711	5.6
418.23801	3.9
428.22287	26.4
430.23862	6.8
432.05356	3.2
432.21936	4.5
444.21771	9.6
446.23419	24.0
456.21564	18.1
462.23105	4.0
464.24225	13.7
474.22815	43.1
492.23795	42.1
506.25101	10.1
510.24777	13.0
524.26428	72.6
534.24860	19.7
542.27533	45.5
552.17957	6.1
552.25983	80.6
553.26135	3.7
570.27026	100.0
634.30121	4.3
652.31226	53.5
670.32819	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	670.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01868	3.5
56.96564	10.5
57.03433	9.3
59.04999	2.1
59.67882	2.3
61.02926	14.1
67.05497	4.7
69.03436	41.2
69.07068	4.9
69.21460	16.1
69.21868	6.0
70.77274	2.2
71.04997	3.5
73.02932	11.1
74.06082	2.2
79.05478	8.3
81.03419	16.1
81.07067	5.2
84.96033	3.2
85.02910	94.2
85.97395	2.3
86.03266	2.8
87.04478	12.6
91.03979	5.3
95.04953	10.6
97.02896	41.3
97.06522	10.7
98.03226	3.3
98.20600	4.3
98.97588	39.2
99.04445	6.5
99.08092	3.2
103.03923	4.5
109.02873	9.5
110.01277	3.5
110.97548	12.3
111.04493	4.2
112.99123	3.6
113.05982	2.7
116.98623	10.9
119.01814	4.6
123.04440	2.6
124.99140	3.8
125.05999	19.7
127.03934	27.7
127.82597	2.6
128.98631	10.0
131.00177	3.9
134.99690	3.9
135.04405	2.8
137.05954	4.3
140.98587	3.1
141.05495	5.3
143.00195	6.8
143.07030	5.3
144.98082	2.2
145.01816	4.9
145.02885	4.9
145.04970	18.2
146.99663	4.0
147.04388	14.2
158.99641	20.3
159.03302	2.5
159.04924	10.4
159.06512	8.2
161.01311	6.0
161.08122	6.4
163.03938	6.1
167.07069	3.4
168.05389	11.7
170.99715	6.4
172.64702	2.1
173.01227	3.3
177.00729	14.3
177.05531	7.6
179.04822	3.1
180.03531	4.4
181.04555	11.0
181.54497	2.9
182.03351	5.1
185.01169	3.4
186.04730	2.9
187.02829	4.4
188.74593	2.4
189.00719	3.6
189.04170	20.4
189.54346	3.5
190.04919	47.8
190.55119	4.8
196.04903	3.5
197.05576	2.9
198.04654	2.5
199.02818	3.2
199.05424	4.7
201.00766	10.4
201.12381	3.2
201.55653	2.8
203.02306	4.6
205.03751	4.2
213.04445	4.1
217.08086	3.7
219.01778	51.9
220.02115	2.8
230.84343	2.3
231.05315	3.7
234.98857	2.7
237.00555	3.4
237.02785	47.4
238.03372	3.0
260.07318	6.5
261.06235	4.3
262.07129	10.0
267.08170	3.2
268.08899	5.0
271.07501	15.3
275.04398	3.3
279.03845	2.4
289.05957	14.0
293.05411	5.7
307.07077	3.2
319.06967	44.4
320.07208	5.1
329.05331	4.5
333.10571	3.4
335.10208	2.8
337.08029	23.6
338.10800	5.2
340.09290	3.9
341.09958	74.0
341.13895	5.2
341.60004	18.1
342.10715	100.0
342.60876	24.3
343.10828	6.9
343.60739	2.7
345.60141	3.4
347.59720	3.9
348.10675	67.1
348.60980	15.5
349.07401	4.5
349.11511	63.1
349.61731	9.5
350.09976	2.6
351.09427	4.3
352.10272	26.3
352.60483	5.0
359.06482	6.1
360.10587	3.5
361.08051	5.7
362.09296	2.9
362.59790	2.8
369.11197	9.9
375.09695	3.6
376.11884	4.8
377.07642	13.3
444.66492	2.5
502.15811	2.8
533.15381	6.3
535.16943	5.5
553.22174	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.8
57.03435	1.0
57.07080	0.7
67.05512	9.3
69.07081	3.0
71.08630	0.6
79.05495	7.1
81.07059	7.7
83.04996	0.6
83.08619	1.6
85.48615	0.6
91.05483	7.1
93.07053	7.1
95.04997	0.7
95.08607	6.1
97.06538	1.0
97.10162	1.0
105.07035	4.9
107.08608	3.0
109.10176	2.2
117.07047	1.4
119.08600	4.2
121.10113	4.2
123.08118	0.8
129.07066	0.8
131.08595	2.8
133.10167	2.7
135.11696	2.3
143.08656	0.7
145.10179	2.1
147.11693	2.1
149.13280	0.9
157.10141	1.5
159.11714	1.9
161.13304	1.1
171.11697	1.0
173.13347	0.9
181.10092	0.6
185.13222	0.8
195.11617	0.7
211.14871	0.8
253.13406	0.7
258.19440	0.9
259.20551	2.9
277.21893	0.9
289.57306	0.6
317.20996	1.7
319.22488	2.0
319.26071	0.6
329.18350	0.7
333.24329	2.7
373.23843	1.9
374.26367	0.7
375.25073	1.5
393.26447	0.8
516.58069	0.7
517.40717	0.7
609.44971	2.0
634.48193	1.0
637.26666	1.5
651.27570	0.9
669.28540	2.6
669.47028	100.0
670.47516	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	669.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94578	0.4
53.03945	1.2
55.01875	0.7
55.05517	13.9
67.05506	1.6
68.05001	0.7
69.03436	1.4
69.07063	1.5
70.06599	10.4
70.56637	0.5
71.04976	0.9
71.55104	0.4
71.55521	0.5
72.08163	13.5
76.98143	0.5
79.05486	2.5
80.05032	0.6
81.03403	0.8
81.07064	3.7
82.02943	1.0
82.13979	0.6
83.04988	23.6
84.04509	1.1
84.08150	3.1
85.02896	0.8
91.05466	2.8
93.07054	3.0
95.04980	1.8
95.08612	2.4
96.04495	1.5
96.86717	0.5
97.02905	0.8
97.06532	0.6
98.06082	1.2
98.09707	0.6
105.03397	0.5
105.07029	3.6
106.06579	0.8
107.04967	0.8
107.08608	2.9
108.04488	1.8
108.08128	2.0
109.06554	1.0
109.08906	0.5
109.10140	1.1
115.05492	0.7
117.07058	2.1
118.06574	1.3
119.08578	4.7
120.08128	1.4
121.06515	0.8
121.10184	1.5
122.06068	0.7
123.08068	0.6
127.03890	0.9
129.07028	1.1
131.08585	3.4
133.06508	1.1
133.10147	4.3
135.08081	1.3
135.09167	1.5
136.07585	11.2
136.08557	0.8
136.09914	0.9
137.06006	1.3
137.08365	1.9
138.09167	1.7
141.07043	0.6
142.07809	1.1
143.08569	3.1
145.02917	0.7
145.06509	2.2
145.10112	2.5
146.09659	2.0
147.08087	1.2
147.11700	1.2
149.09642	0.9
150.09142	1.0
151.08647	0.7
153.10236	5.4
154.11076	1.0
154.12309	1.5
155.08571	1.2
156.09363	2.4
157.10075	3.4
159.08112	1.8
159.11717	2.3
161.05940	0.5
161.09663	3.4
162.09163	1.3
163.11269	0.7
164.10718	1.1
165.09163	0.6
167.07076	3.3
169.10168	1.6
170.10950	1.7
171.08080	1.8
171.11697	5.6
172.07607	0.9
173.09657	2.4
173.13261	0.9
174.09148	2.8
177.05484	1.4
177.09215	0.5
181.10129	1.0
183.08141	1.8
183.11694	3.0
184.08858	0.9
185.09613	1.4
185.13248	4.2
186.12798	0.9
187.11176	1.1
188.10699	0.8
189.12920	0.8
193.10214	0.8
195.11725	1.2
197.09764	0.9
197.13286	1.1
198.10460	0.9
199.11212	3.5
200.12106	0.7
201.09021	0.6
201.12956	0.5
207.11710	0.9
209.09709	0.7
209.13333	1.2
211.09590	0.7
211.11327	1.1
213.12685	7.1
214.12247	3.2
215.12941	1.1
216.13872	10.4
217.08554	0.9
217.12332	0.7
219.11819	0.7
221.13382	1.2
223.11253	1.2
226.12270	0.9
228.13901	1.4
230.15401	1.0
231.11807	1.0
231.13942	1.6
232.12512	0.8
233.16533	1.6
235.11307	0.8
235.14702	1.0
237.12775	0.8
237.16226	0.6
240.13788	0.6
241.12280	0.9
242.11848	1.9
244.12666	0.6
245.13445	0.8
247.11282	1.0
247.14754	0.9
249.16420	0.8
258.14148	1.0
259.14853	1.4
260.12079	0.6
261.12747	1.1
261.16382	1.0
263.14349	0.9
263.18170	0.8
273.16339	0.7
275.14365	0.9
277.15912	0.6
287.14474	0.6
289.16031	1.3
291.17456	1.4
301.15945	0.7
302.16714	0.7
313.19199	0.9
315.20758	4.4
319.16925	1.9
322.37674	0.6
341.18820	0.5
403.22311	0.5
428.26123	1.0
436.01538	0.5
438.24725	0.8
444.25909	0.6
445.37683	0.6
446.26913	0.8
455.27390	0.9
456.25574	1.6
473.27832	2.3
474.26648	1.4
478.41870	0.5
491.29230	2.1
509.30225	0.7
516.27875	0.7
534.28619	2.2
551.31244	7.7
552.29639	2.5
555.32599	0.6
569.32184	10.2
570.31293	0.7
573.33234	1.5
591.34283	1.1
633.35400	2.2
634.34119	1.0
651.36407	25.3
652.35358	1.5
669.37506	100.0
670.37823	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73216	1.9
53.03938	4.2
55.05513	64.7
62.88939	2.0
63.49809	2.0
67.05487	7.0
67.78231	1.9
69.03434	5.0
69.07069	4.0
69.23718	9.0
69.24141	10.8
79.05505	10.2
80.94287	2.2
81.03419	2.9
81.07064	5.5
83.04987	100.0
84.05319	2.2
91.04925	2.7
91.05470	18.8
93.07059	10.0
95.04957	6.3
95.08585	6.0
97.06509	2.9
98.21543	3.5
103.05471	11.4
105.03428	4.7
105.07034	22.4
107.04975	2.3
107.08587	9.0
107.36893	1.8
109.06503	4.6
109.10150	2.7
115.05454	8.6
116.06203	1.9
117.07028	12.5
119.04948	2.3
119.07933	1.9
119.08605	21.4
121.06501	6.2
121.10128	4.8
123.08091	3.1
128.06219	5.5
129.06998	9.1
131.04019	2.8
131.04933	27.3
131.08585	13.2
132.05263	6.3
133.06465	11.7
133.10144	14.1
135.08031	9.0
141.06972	3.2
142.07758	7.2
143.08548	14.0
145.06488	7.9
145.10130	10.9
147.08060	8.1
147.11717	2.7
149.06030	3.8
149.09601	7.6
153.07039	2.8
155.08589	7.9
156.09386	10.3
157.06448	3.8
157.10153	28.9
159.04349	2.3
159.08032	12.6
159.11761	10.8
161.06021	15.4
161.09605	7.5
163.07495	4.5
165.06909	2.5
167.08585	5.2
168.09395	2.5
169.10179	12.7
170.10896	6.3
171.08096	8.0
171.11697	37.1
172.12064	2.5
173.05994	4.5
173.09636	13.2
173.13258	6.3
175.07549	7.6
175.11185	3.7
177.09116	3.3
179.07076	3.5
179.08524	3.6
179.10687	3.1
181.10114	4.8
182.10776	2.0
183.08099	4.8
183.11693	28.6
184.08809	2.1
184.12239	2.1
185.09627	7.8
185.13251	17.3
187.07494	2.8
187.11183	8.0
189.05461	4.4
189.09148	2.9
191.07018	3.9
192.09419	2.7
193.08597	3.9
193.10175	4.2
194.10817	2.3
195.08107	4.0
195.11691	7.4
197.09706	5.9
197.13298	5.0
198.10330	5.8
199.07506	4.0
199.11188	15.3
201.09160	4.7
201.12741	8.5
203.06921	2.7
203.08733	2.9
203.10695	6.1
205.12212	2.7
206.10869	3.5
207.11665	5.9
208.12450	2.8
209.09615	4.7
209.13277	4.5
211.07727	2.3
211.11148	8.4
213.09143	5.1
213.12738	22.3
215.10602	3.2
217.10208	2.8
217.12108	3.0
218.10878	2.2
219.11732	3.8
220.12280	3.6
221.13251	6.5
223.11067	2.4
223.14693	3.7
225.09084	3.9
227.10732	2.5
229.12245	6.2
231.08102	3.2
231.11731	5.0
231.13815	10.9
232.12389	2.9
233.13409	3.8
235.11186	3.5
235.14772	6.3
237.12688	3.2
239.10594	4.1
241.12294	5.0
243.11694	3.1
243.13789	5.7
244.12259	3.6
245.13385	4.2
245.15411	4.4
246.13992	3.2
247.14743	3.1
249.12593	3.4
251.10507	4.4
256.12411	3.4
258.13736	3.1
261.12665	6.5
269.13132	3.1
271.14926	3.2
276.14902	2.6
277.15875	2.4
285.12949	3.3
285.16364	5.8
287.14227	3.3
288.14838	2.6
289.15845	3.1
291.16174	2.4
298.13614	2.6
299.14377	2.5
299.17657	2.8
301.12378	3.9
301.15726	4.3
303.13892	2.7
305.18982	3.5
313.15823	3.2
315.13742	2.4
315.17307	4.1
317.15271	5.5
319.16833	3.9
325.15552	2.0
327.17270	4.6
329.11758	2.5
329.15320	4.6
331.16867	6.4
332.17230	3.4
333.18234	4.2
341.15097	3.0
343.17010	3.4
345.18475	5.3
347.12540	2.7
347.16309	5.1
349.17969	4.6
354.17520	2.8
355.16837	4.6
357.18515	4.5
359.16296	7.4
361.18027	4.0
363.19620	4.9
369.20804	2.5
371.16269	2.7
373.17944	13.4
375.19730	3.2
377.17386	3.2
379.18826	3.1
383.16541	3.8
385.17999	3.9
389.17413	6.2
391.18884	11.5
393.20590	2.9
401.17688	14.6
401.22253	2.9
403.18945	6.7
405.20432	8.3
409.20676	2.2
419.18591	20.3
421.19809	6.5
423.21698	10.3
433.20032	13.9
437.19577	13.4
439.20932	4.2
451.21176	28.6
469.22324	22.3
519.23486	3.2
537.24542	5.8
541.27881	2.1
551.26410	3.7
569.27649	17.7
611.24170	9.0
669.24438	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	669.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02920	1.4
53.03949	3.7
55.01871	6.9
55.05513	62.9
55.73285	1.4
57.03458	1.4
61.96093	1.3
65.03924	1.5
67.05494	8.2
69.03426	4.9
69.07056	3.4
79.05495	20.2
81.03412	6.0
81.07054	13.1
83.01337	2.4
83.04982	100.0
85.06539	1.7
91.05479	34.2
93.07043	28.9
95.04973	10.3
95.08620	16.6
97.06509	3.3
101.06000	2.2
103.05467	6.2
105.04504	2.2
105.07034	42.4
107.04950	5.4
107.08595	19.4
109.02978	1.6
109.06488	7.5
109.10156	3.7
115.03904	3.5
115.05428	7.5
116.06259	2.7
117.07035	15.9
119.04937	4.1
119.08584	38.4
121.06483	11.8
121.10136	13.3
123.08064	6.5
125.06107	1.5
128.06216	8.4
129.07021	12.3
130.07843	3.0
131.04904	5.6
131.08574	26.6
133.05690	1.8
133.06516	14.8
133.09116	3.2
133.10135	63.3
135.08064	16.2
137.09613	3.1
141.07022	7.6
142.07802	17.1
143.04768	1.8
143.08557	30.4
144.09306	3.2
145.06493	10.1
145.10127	20.2
146.07277	2.6
147.04398	1.5
147.08043	21.3
147.11684	4.1
149.06021	3.2
149.09615	26.4
151.07556	3.0
152.06261	2.0
153.06963	4.7
154.07796	2.3
155.08534	16.5
156.09349	22.9
157.06497	3.5
157.10135	48.0
158.07245	3.1
158.10875	2.5
159.08037	12.8
159.11707	14.5
161.06041	8.0
161.09613	16.0
163.07561	5.5
163.11238	8.6
165.06929	7.7
165.09129	3.4
166.07787	1.7
166.11929	1.7
167.08566	8.5
168.09343	4.6
169.10132	35.0
170.10904	15.6
171.08083	10.3
171.11699	62.3
172.08731	2.6
172.12407	2.1
173.09624	20.4
173.13289	5.8
175.07585	8.4
175.11131	5.5
177.05434	2.1
177.09109	5.3
179.06995	4.6
179.08566	7.5
179.10599	1.8
180.09331	4.6
181.10056	13.6
182.01912	1.4
182.07173	1.6
182.10966	4.4
183.08096	6.9
183.11697	56.6
184.08823	1.9
184.12421	4.3
185.09648	14.1
185.13251	43.4
186.10286	2.5
187.07501	3.6
187.11171	15.0
187.14842	1.9
189.09109	6.4
189.12796	2.8
191.08714	2.1
191.10651	3.5
192.09361	4.1
193.08539	4.8
193.10138	12.4
193.11929	2.7
194.10947	4.2
195.08142	2.0
195.11702	16.9
196.08983	1.6
196.12413	2.8
197.09645	9.4
197.13271	16.6
198.10378	5.3
199.07570	2.6
199.11192	18.5
200.11954	3.4
201.09143	4.9
201.12773	9.1
202.07779	1.9
203.08641	2.9
203.10678	5.9
205.10158	5.0
205.12265	5.0
206.10947	9.6
207.06433	1.6
207.09943	2.3
207.11726	16.7
208.12453	6.7
209.09737	7.0
209.13268	11.2
210.10461	2.3
211.07768	2.0
211.11127	13.2
211.14766	1.8
212.11954	2.5
213.09329	7.4
213.12758	45.4
214.13356	2.2
215.06836	1.7
215.10718	4.2
215.14302	3.8
216.09344	3.5
217.10126	7.4
217.12285	5.3
218.10945	6.6
219.11771	12.2
220.12473	10.9
221.09773	2.9
221.13280	17.9
222.14069	2.4
223.11272	8.5
223.14766	6.0
224.11879	2.1
225.12723	5.9
227.10588	8.1
229.10139	7.1
229.12228	8.5
230.10924	5.2
231.11696	8.6
231.13817	9.0
232.08867	1.8
232.12515	10.0
233.09659	2.5
233.13443	14.1
233.15422	2.6
234.10434	2.0
234.14015	8.7
235.11148	4.2
235.14876	12.7
236.11894	2.8
237.12793	6.0
237.16365	4.3
239.10756	3.3
239.14357	1.7
241.10179	2.4
241.12250	15.8
242.10867	2.7
242.13115	4.2
243.11633	10.3
243.13832	13.2
244.12491	17.2
245.09653	1.9
245.13257	12.5
245.15405	20.0
246.10419	3.5
246.14066	7.9
247.11154	6.0
247.15019	15.2
248.12006	2.2
248.15559	6.2
249.12785	9.3
249.16484	14.9
250.17154	1.6
251.14240	5.8
251.17798	2.6
252.09389	1.9
253.10133	2.3
255.11562	5.0
255.13869	8.8
256.12363	3.6
257.13364	13.6
257.15543	2.8
258.10239	1.6
258.14124	14.4
259.10999	2.4
259.15112	16.2
260.12006	3.7
260.15567	6.6
261.12845	7.5
261.16464	13.2
262.13440	3.4
263.14163	5.1
263.17969	4.3
265.12338	2.8
265.15942	4.1
267.13950	2.4
268.12418	2.1
269.13223	5.1
270.13971	5.3
271.10999	2.2
271.14755	8.7
272.15518	6.3
273.12299	3.4
273.14438	16.1
274.13419	4.7
275.14401	7.4
275.17886	5.9
276.14954	3.2
277.12573	3.0
277.15839	10.1
282.13937	4.4
283.11041	2.7
283.14499	2.1
284.11890	2.2
284.15506	3.5
285.12671	5.8
285.16342	8.4
286.13498	4.6
286.17017	3.2
287.14359	7.3
287.17941	5.7
288.11749	1.9
288.15167	4.2
289.16016	8.0
289.18997	1.9
290.16650	3.2
291.12708	1.8
291.17508	10.9
293.15308	4.6
293.18750	3.0
295.16977	2.6
296.15436	1.8
297.12866	3.2
297.16217	4.0
298.13559	3.6
299.14215	4.6
299.17780	3.1
300.15204	4.2
301.12579	2.8
301.15826	11.2
302.12918	3.1
302.16373	2.0
303.13925	2.9
303.17419	11.0
305.15576	3.0
305.19016	5.8
309.14838	1.8
313.12296	2.4
313.15875	6.0
314.16562	5.8
315.13947	2.7
315.17426	15.3
317.15350	6.5
317.19009	5.1
318.16153	2.9
319.16904	9.0
319.20459	3.5
321.14786	4.0
321.18542	10.4
323.16531	2.2
323.20096	5.0
327.17416	4.1
329.15231	4.6
329.19031	9.8
330.16144	1.7
331.13461	2.3
331.16937	12.2
333.14987	2.1
333.18509	15.2
335.19931	2.3
337.14392	2.7
337.18054	4.4
341.15195	4.9
343.16931	2.9
345.14664	2.4
345.18390	11.4
347.16556	9.3
347.19800	9.1
349.17935	15.3
350.18823	1.8
351.19562	8.5
355.16776	3.4
357.18408	6.2
359.16458	20.9
360.17065	2.8
361.17990	10.8
363.19531	14.3
365.17258	2.9
365.21167	4.0
367.19052	5.8
369.20459	5.3
373.17978	23.0
375.19611	10.2
377.17337	25.0
377.21304	3.4
379.22818	3.8
381.20630	3.8
383.16241	3.3
387.19644	3.3
389.17282	4.4
389.21704	9.5
391.19070	34.0
393.20584	5.5
395.18484	5.5
395.22830	2.1
401.17392	12.2
405.20560	6.3
407.22189	5.7
409.20123	11.4
411.21771	1.7
415.18698	2.2
419.18530	30.2
421.20139	10.4
423.21674	21.7
433.20062	33.7
437.19617	9.2
439.20993	3.2
441.22812	6.2
451.21097	47.1
469.22183	26.8
533.24902	2.4
548.10413	1.6
551.26416	3.9
569.27240	5.7
669.30841	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	669.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
55.05267	4.8
55.05518	60.2
57.91261	2.2
63.23876	2.5
66.04871	2.4
67.05508	2.9
69.03401	2.8
69.18919	21.0
75.89995	2.5
79.05482	8.7
81.07037	3.2
83.01363	2.6
83.04990	100.0
86.21623	2.8
91.05485	16.9
93.07047	10.8
95.04980	3.9
95.08620	4.9
105.07060	18.3
107.08590	12.0
109.06535	4.0
115.04649	2.6
115.05436	5.8
117.07030	12.3
119.04938	3.4
119.08588	24.8
121.06524	6.5
121.10201	7.1
128.06239	3.2
129.06979	7.2
131.08563	14.7
133.06474	10.0
133.10129	22.4
135.08043	8.9
137.09598	3.8
140.31706	2.6
142.07808	6.0
143.08549	17.4
145.06479	8.1
145.10120	13.3
147.08051	15.3
147.11665	4.2
149.09637	9.8
151.07510	2.8
155.08568	10.5
156.09351	8.9
157.10132	30.4
159.08051	12.8
159.11739	6.5
161.05960	13.3
161.09610	10.3
163.07500	3.3
163.11240	3.1
167.08586	7.1
169.10130	14.1
170.10899	11.7
171.08054	11.4
171.11711	46.4
173.09665	14.2
173.13310	7.1
175.07579	7.4
175.11224	6.0
177.09135	3.9
179.07082	4.4
181.10176	5.9
183.08142	3.6
183.11711	33.6
184.12398	3.2
185.09666	8.0
185.13278	26.2
187.11188	9.9
189.05449	3.2
193.08528	6.5
193.10144	5.4
195.08025	3.8
195.11716	8.9
197.09518	6.3
197.13222	9.9
199.11200	11.5
201.09235	3.3
201.12785	7.6
203.10551	3.8
207.11722	8.7
209.09633	3.1
209.13297	6.9
211.11259	13.4
213.09097	4.6
213.12773	34.4
215.10770	3.2
217.12318	2.9
218.10953	3.2
219.11815	5.2
220.12541	4.6
221.13254	9.7
223.11220	5.7
225.12642	4.5
227.10670	4.3
229.10136	3.7
229.12213	7.1
231.09882	3.8
231.11852	5.3
231.13795	7.8
233.13289	7.1
233.15361	3.6
235.11128	4.1
235.14880	4.5
237.12703	4.8
239.10841	3.7
241.12277	6.0
243.11609	4.2
243.13815	7.9
245.13374	5.3
245.15385	15.0
246.14151	3.2
247.11143	2.8
247.14890	4.8
249.12917	3.2
249.16536	3.3
251.10509	4.0
255.11673	3.0
255.13916	6.1
257.13223	7.7
258.13867	6.3
259.14862	9.3
260.15997	2.9
261.12674	6.2
270.13971	3.1
271.15060	4.1
273.14697	15.1
275.14313	3.0
277.15787	4.3
282.14142	3.5
283.14877	3.3
284.15402	4.0
285.16296	4.5
287.14438	4.9
287.17807	3.5
288.15323	3.2
291.16177	5.1
298.13605	4.1
301.15799	6.0
303.13770	3.2
303.17343	4.5
313.15854	5.9
315.17303	5.6
317.15332	4.4
317.18906	5.5
321.18481	5.0
327.17181	5.5
329.15475	5.6
330.15909	3.8
331.16772	8.1
333.18335	4.3
341.15384	4.9
343.16946	4.3
345.18433	10.2
347.16330	7.3
349.17908	9.4
355.17026	5.4
359.16373	10.0
363.19501	5.1
369.20419	9.9
373.17889	17.3
375.19553	6.2
377.17441	12.1
383.16269	3.7
389.17255	6.1
391.18942	20.5
393.20471	4.5
395.18204	3.1
401.17676	12.9
403.19016	3.6
405.20566	10.1
409.20224	5.3
411.21750	4.1
415.19031	3.8
419.18564	23.2
421.20190	8.8
423.21655	16.6
433.20108	29.6
437.19620	14.6
451.21140	44.5
469.22073	25.4
537.24951	4.5
551.26398	5.9
569.27325	16.9
669.28351	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	669.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89596	2.2
53.03942	4.3
55.01889	2.7
55.05513	75.8
63.14182	1.9
66.65260	1.8
67.05503	3.0
69.03435	3.4
69.07050	2.7
78.27729	1.9
79.05509	5.8
81.07041	5.5
83.04984	100.0
91.05486	16.7
92.35104	2.0
93.07060	10.2
95.04968	5.4
95.08643	4.7
103.05488	5.6
105.03386	2.6
105.07022	24.2
107.04972	6.2
107.08592	8.5
109.06522	3.2
115.05487	6.6
117.07030	7.7
119.04913	5.4
119.08588	20.1
121.06525	5.0
121.10149	3.5
123.04457	2.3
123.08022	3.1
128.06221	5.6
129.07024	5.5
131.04913	6.7
131.08574	15.2
133.06532	13.8
133.10129	18.1
135.08061	5.9
141.07018	4.4
142.07765	7.7
143.08565	20.3
145.06509	8.6
145.10109	14.2
147.08081	11.9
147.11740	3.0
149.06017	5.4
149.09602	9.4
153.07007	2.8
155.08578	8.6
156.09351	9.0
157.06499	3.7
157.10141	22.4
159.04517	2.0
159.08076	11.1
159.11700	8.3
161.05981	12.2
161.09633	7.6
163.07623	5.1
163.11156	4.7
165.06982	5.0
167.08551	3.3
168.09248	2.6
169.10173	16.5
170.10930	10.6
171.08060	8.0
171.11681	38.4
173.06010	4.2
173.09599	11.8
173.13260	5.0
175.07597	4.7
175.11223	6.1
177.05501	11.8
177.09183	4.3
179.07002	5.0
179.08513	4.1
179.10794	3.4
181.10178	5.8
183.08066	5.0
183.11690	32.9
185.09642	10.5
185.13246	28.8
187.11163	7.7
189.05382	4.9
189.09196	2.6
191.06966	3.6
193.08542	4.0
193.10176	7.9
195.11681	8.4
196.08717	2.2
197.09634	6.8
197.13274	7.8
199.07555	4.5
199.11224	12.5
201.09120	4.9
201.12798	5.7
205.10301	2.3
205.12332	3.3
206.10971	5.2
207.11691	7.3
207.13454	2.5
209.09679	3.0
209.13249	3.9
211.11148	11.7
213.09192	5.7
213.12711	26.0
215.10643	3.3
217.10274	4.9
217.12204	3.8
218.11011	3.9
219.11763	7.5
220.12433	2.6
221.13263	8.6
223.11195	5.5
225.12784	3.3
227.10703	5.4
229.10350	2.9
229.12325	8.0
230.10948	4.9
231.09840	3.2
231.11728	5.7
231.13882	7.7
232.12566	2.3
233.09634	4.5
233.13316	5.4
235.11087	3.0
235.14952	3.9
235.61865	2.1
241.12250	4.5
243.11647	6.2
243.13885	10.4
244.12469	5.3
245.09669	2.9
245.13246	9.7
245.15451	15.3
246.14064	5.2
247.11243	5.1
247.14873	5.5
248.15585	2.8
249.16422	4.7
251.14523	2.1
255.11603	3.6
255.13997	4.8
256.12598	3.7
256.56494	2.1
257.13318	8.2
258.14081	4.0
259.11148	4.1
259.14877	13.0
260.15536	4.1
261.12677	5.3
261.16574	5.3
269.13165	4.3
270.10400	2.2
270.13992	4.4
271.11053	3.0
271.14911	4.5
273.15021	9.1
275.14346	4.7
277.15765	3.6
282.14011	2.3
283.14902	4.7
285.12881	3.0
285.16348	8.0
286.13492	3.3
287.14212	6.3
289.10892	2.3
289.15915	5.4
291.16074	4.2
297.12500	2.4
299.10760	2.3
299.14319	7.1
299.17813	4.8
301.12442	3.6
301.15875	4.6
303.14005	3.8
303.17532	5.8
305.15213	2.8
312.15088	5.4
313.16025	6.1
314.12997	2.3
315.13794	4.0
315.17465	5.7
317.15356	3.6
319.16898	5.3
321.18445	2.3
327.17340	4.3
329.15329	5.5
331.16971	13.4
333.18756	3.5
341.15417	6.5
343.16956	5.1
345.18475	6.2
347.16446	8.9
347.20178	2.6
349.17944	8.8
355.16946	5.6
359.16492	10.4
361.18030	4.5
363.19479	5.5
371.16455	2.8
373.18024	16.7
375.19650	3.9
377.17450	11.5
377.21646	3.1
383.16351	3.0
387.19595	3.8
389.17230	5.0
389.21622	3.1
391.18930	13.8
401.17630	12.7
403.18973	2.6
405.20752	11.3
409.20035	7.3
415.19031	5.7
419.18393	12.7
421.20081	12.0
423.21817	9.7
433.20010	24.5
437.19623	7.1
439.21005	2.7
451.21185	36.0
469.22260	21.8
533.25055	2.6
551.26270	10.0
569.27631	5.6
681.38641	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	669.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66182	2.6
55.01863	4.3
55.05517	66.5
63.42439	2.4
67.05500	4.4
69.03455	3.2
69.17029	6.5
69.17439	20.1
77.25882	2.5
79.05496	8.8
81.07024	4.6
83.04990	100.0
89.82445	2.5
91.05494	18.1
93.07041	9.3
94.35506	2.4
95.04948	3.9
95.08625	4.8
97.06564	2.8
103.05461	8.7
105.07035	29.8
107.08606	8.8
109.06533	6.1
109.11613	2.5
115.05443	6.8
116.32019	2.5
117.07046	17.1
119.04955	3.0
119.08592	30.0
121.06551	3.6
121.10149	3.2
123.04460	3.2
128.06212	5.2
128.07108	2.6
129.07018	10.3
130.07774	2.5
131.04915	17.0
131.08583	16.7
133.06494	12.3
133.10149	16.8
135.08054	10.9
142.07811	5.5
143.08536	17.6
145.06497	14.8
145.10156	13.7
147.08060	15.9
147.11658	3.7
149.09627	10.3
152.06168	3.1
155.08549	9.1
156.09348	10.3
157.10126	37.1
159.08107	12.5
159.11697	10.9
161.05956	13.1
161.09654	13.2
163.07574	10.0
163.11230	5.2
165.07031	5.2
165.09128	3.8
166.07841	3.2
168.09294	5.8
168.50710	2.5
169.10167	20.6
170.10884	9.1
171.08060	9.8
171.11697	57.6
173.06033	5.2
173.09680	13.3
173.13254	7.0
175.07489	14.5
175.11198	4.0
177.05510	3.4
177.09175	5.4
179.07149	4.8
179.08571	7.5
179.10733	3.3
180.09302	3.1
181.10178	7.0
183.08051	5.3
183.11710	38.2
184.08919	3.5
185.09642	10.4
185.13274	43.0
187.07549	4.1
187.11133	12.4
187.14993	3.2
189.05527	5.1
189.09164	4.5
191.07126	3.5
192.09343	3.4
193.08549	4.2
193.10147	7.8
194.18164	3.1
195.11697	11.4
196.12622	2.7
197.09596	9.0
197.13251	9.1
198.10379	4.3
199.07510	4.4
199.11244	17.7
201.09074	4.2
201.12759	10.5
203.06943	3.2
205.05026	2.6
205.08508	4.6
206.10889	4.1
207.11734	9.6
209.09618	6.6
209.13190	5.8
210.14108	2.7
211.11232	11.0
213.09094	7.8
213.12753	37.7
215.10640	6.6
216.09241	3.3
217.10257	5.2
217.12280	7.4
219.11809	5.8
220.12349	6.3
221.13222	6.9
223.11156	4.7
225.12846	3.2
227.10783	5.0
229.10303	3.3
229.12263	7.5
230.10948	4.1
231.11909	4.8
231.13872	10.4
233.13390	5.6
233.15430	3.1
235.11284	3.6
235.14812	3.4
237.09091	2.8
237.12524	2.8
241.12234	5.9
243.11708	5.0
243.13844	10.3
244.12541	6.6
245.13342	5.4
245.15384	18.5
247.14848	6.3
248.15498	3.3
249.12723	4.3
250.13586	2.7
253.12303	2.9
255.13879	7.1
256.12360	3.8
257.13370	6.0
258.14029	6.2
259.11087	3.3
259.14755	8.6
261.12622	4.2
269.13226	3.7
270.14117	7.2
273.12418	3.1
273.14868	14.8
275.14435	3.7
275.17950	2.9
281.13089	3.1
283.11346	3.1
285.16281	5.5
287.14291	4.3
291.15927	7.4
297.12872	4.7
297.16476	4.9
298.13425	3.2
299.14420	5.0
299.17761	3.9
301.12418	4.6
301.15952	6.6
303.13718	4.8
303.17319	4.1
313.15747	6.5
315.13815	4.1
315.17374	4.1
316.14651	3.1
317.15469	3.6
319.16779	3.3
319.50397	2.6
327.17252	5.9
329.15213	8.8
329.18884	4.7
331.16898	9.3
341.15311	6.5
343.16934	6.8
345.18390	15.0
347.16467	7.3
349.17972	3.7
355.17001	12.2
359.16251	15.4
361.18137	4.1
363.19684	3.6
371.16220	4.7
373.13770	3.5
373.17996	23.3
377.17456	11.1
377.21667	3.3
383.16574	6.5
385.17227	3.2
389.17340	5.3
391.19125	15.4
401.17563	20.6
403.18979	6.6
405.20526	10.6
415.19144	5.6
419.18506	25.0
421.20169	7.5
423.21649	10.0
433.20160	25.3
437.19699	21.1
451.21198	30.7
469.22195	29.0
533.25922	2.9
537.25189	5.4
551.25940	3.9
555.26221	6.1
569.27429	5.0
614.36548	2.5
669.33502	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	669.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01862	2.5
55.05516	67.0
67.05510	2.4
69.03423	2.3
69.07067	2.2
69.18963	15.0
69.19344	2.9
79.05484	4.8
79.42321	1.5
79.64590	1.4
81.07050	1.7
81.96667	1.4
83.04985	100.0
91.05479	15.8
93.07026	6.2
95.04949	3.4
95.08597	2.7
97.06538	1.5
98.20801	4.0
103.05485	3.5
105.03361	2.4
105.07034	11.0
107.04957	1.9
107.08582	4.0
109.06492	3.3
111.04424	4.1
115.05472	18.5
116.06270	1.7
117.07023	30.8
119.04949	2.6
119.08598	15.5
121.06502	3.8
121.10136	2.7
127.56775	1.7
128.06198	5.4
129.07011	5.9
129.86417	1.5
130.07761	1.8
131.04909	7.9
131.08536	8.4
133.06467	5.2
133.10126	9.8
134.07307	2.0
135.08046	5.6
141.06972	3.8
142.07809	4.8
143.08569	16.0
144.05705	2.3
145.06479	25.1
145.10120	10.8
147.08052	11.6
149.06082	1.7
149.09601	6.6
153.06970	2.6
154.07762	1.8
155.08556	7.4
156.09392	9.5
157.06468	4.6
157.10133	17.4
159.08058	12.6
159.11642	5.6
161.05984	5.6
161.09618	7.2
162.06761	5.5
163.07553	3.6
163.11220	2.0
165.06981	2.2
165.09140	7.2
166.07779	1.6
167.08527	2.8
168.09373	2.1
169.10098	9.4
170.10913	7.0
171.08060	8.7
171.11700	33.4
172.08810	3.9
173.06001	20.9
173.09633	10.4
173.13229	3.7
175.07518	7.5
175.11180	2.4
176.08345	3.5
177.09119	27.2
179.08571	3.2
180.09402	1.8
181.10089	5.0
183.08009	4.2
183.11687	23.8
184.08818	2.6
185.09645	9.3
185.13278	33.4
187.07535	3.7
187.11188	4.1
189.05371	2.0
189.09097	6.9
191.10657	6.0
193.10117	4.2
195.08054	4.3
195.11670	5.9
197.09616	7.0
197.13222	4.1
198.10432	3.4
199.07478	2.8
199.11205	12.6
199.55362	1.6
201.09138	3.5
201.12671	2.4
203.07005	3.8
203.10651	4.6
205.08588	9.1
205.10281	1.8
205.12227	2.4
206.10835	1.8
207.10043	2.6
207.11743	2.5
209.09569	4.2
209.13264	2.2
211.07487	1.7
211.11186	5.1
213.09143	2.5
213.12741	32.9
215.10695	2.4
217.10243	3.4
217.12209	3.2
219.11771	2.6
221.09680	1.7
221.13242	4.0
223.11154	5.0
223.14761	2.1
225.09212	2.8
225.12878	1.8
227.10666	4.1
227.14375	1.8
229.10178	2.3
229.12256	5.8
230.10887	3.2
231.11710	4.6
231.13843	5.8
233.13326	3.6
235.11249	1.8
237.12723	2.9
239.10704	2.9
241.10098	1.8
241.12260	4.2
242.10921	1.7
243.11688	4.1
243.13812	8.0
244.12421	3.2
245.09508	2.5
245.11591	1.9
245.13260	2.4
245.15340	15.9
247.11156	3.8
247.15010	2.3
249.16400	1.9
251.14339	2.0
254.10713	2.1
255.13797	2.8
256.12354	1.9
257.13412	3.4
258.14084	3.1
259.11023	2.7
259.13290	2.4
260.11868	2.2
261.12744	2.6
265.15945	1.8
267.11746	3.1
269.13495	2.3
270.10501	1.6
270.14001	2.6
271.11041	3.4
271.14905	3.0
272.15671	2.5
273.12671	3.0
273.14935	10.8
275.14243	2.4
277.12274	2.2
281.13074	2.2
282.10544	1.8
282.13953	2.9
283.14798	2.8
284.11847	2.6
284.15530	1.6
285.12759	2.5
285.16336	2.8
286.13519	3.0
287.14505	3.7
287.17609	2.1
289.15421	1.6
296.12048	2.2
296.15732	2.3
297.12799	3.0
299.14203	5.0
299.17685	2.3
300.15045	3.1
301.15857	5.0
303.17386	2.0
309.12817	2.9
310.13464	2.2
311.14291	3.1
312.14758	1.9
313.15906	5.2
314.16406	2.0
315.13940	3.1
315.17377	10.1
324.15155	2.3
325.15790	6.4
326.16550	2.7
327.13812	3.2
327.17383	7.5
328.14478	2.0
329.15396	3.2
329.19058	5.7
331.16910	3.0
333.18051	2.4
339.17392	3.9
342.16345	2.3
343.16974	9.3
344.17862	3.5
345.18381	3.6
347.19916	1.9
355.16711	3.0
357.18521	11.7
359.16165	1.9
361.18039	2.4
367.16898	2.2
373.17905	2.5
375.19519	3.6
385.17825	6.6
387.19327	2.7
389.21408	7.0
391.18814	1.9
399.19525	4.3
402.18140	2.8
403.19028	5.3
403.50497	1.6
405.20947	2.6
417.20609	20.3
431.22247	3.1
433.20023	2.1
435.21786	8.3
443.22778	1.6
449.23184	5.3
477.22720	10.0
495.23282	1.6
509.25180	4.2
537.24933	10.0
551.26086	2.1
569.27411	7.7
619.28796	2.1
634.30402	4.2
637.30121	7.5
651.31335	6.3
669.32867	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	669.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
54.44143	1.2
55.01862	2.4
55.05513	71.9
62.10129	1.5
67.05484	3.1
69.03415	2.5
69.07064	2.0
69.22738	13.2
71.04992	1.3
79.05483	5.7
81.03413	2.5
81.07038	3.7
83.04985	100.0
90.80313	1.4
91.04968	1.7
91.05481	19.1
93.07052	7.8
95.04961	4.1
95.08602	3.8
98.21479	2.6
103.05456	3.7
105.03397	3.4
105.07051	15.5
107.04984	1.9
107.08574	5.6
109.06519	3.2
111.04474	1.6
115.05463	11.6
117.07029	29.2
119.04931	1.4
119.08588	17.6
121.06470	2.1
121.10117	5.0
123.08081	1.5
128.06206	6.4
129.07031	8.7
130.07837	2.5
131.04903	4.5
131.08566	12.1
133.06476	5.2
133.10127	10.5
135.08046	5.9
141.06985	3.3
142.07739	5.8
143.08545	14.3
145.06490	16.5
145.10153	13.4
147.08064	12.9
149.09615	6.3
151.07460	1.3
153.07018	3.7
154.07764	3.1
155.08537	7.8
156.09389	6.9
157.06473	4.4
157.10143	18.6
159.08092	10.7
159.11688	6.7
161.06007	6.8
161.09624	8.8
162.06747	3.0
163.07533	2.7
163.11156	3.3
165.06996	3.9
165.09137	5.3
167.08516	2.4
168.09337	3.7
169.06380	1.3
169.10150	12.3
170.10898	7.4
171.08063	7.5
171.11682	35.8
172.08842	2.2
173.05962	11.8
173.09644	8.9
173.13312	2.9
175.07558	8.4
175.11125	2.5
177.09106	19.3
178.07814	1.9
179.07062	1.6
179.08485	2.4
179.10654	1.9
180.09332	3.2
181.10072	4.5
182.07198	1.4
183.08025	4.0
183.11699	26.2
184.08810	3.3
185.09636	9.2
185.13269	30.3
185.14896	3.0
187.07530	3.6
187.11162	7.9
189.05463	2.2
189.09099	5.3
191.08601	1.5
191.10651	2.5
193.08607	1.8
193.10156	3.4
195.08028	3.6
195.11685	6.1
196.08699	2.0
197.09683	8.9
197.13272	5.2
198.10393	4.0
199.07565	2.4
199.11163	12.1
201.09113	3.5
201.12769	3.3
203.06871	2.5
203.10696	2.9
205.08618	8.3
205.10263	2.6
205.12201	3.0
206.10912	2.2
207.11725	5.4
209.09642	4.0
209.13361	2.0
211.07607	1.7
211.11171	8.4
213.09082	3.4
213.12753	27.3
215.10641	3.4
217.10239	2.0
217.12218	2.5
218.10915	2.3
219.11772	2.7
220.12386	1.8
221.13234	3.0
223.07539	1.6
223.11227	2.4
223.14828	1.9
225.09184	2.3
225.12744	2.8
227.10741	3.9
229.12225	5.4
230.10892	2.7
231.10011	2.5
231.13779	5.5
232.12430	2.8
233.13257	4.4
234.10283	1.6
235.14996	1.9
237.09157	2.4
237.12758	1.8
239.10597	2.1
239.14308	2.4
241.12140	3.5
242.10886	1.6
243.13820	4.7
244.12465	2.7
245.11429	2.4
245.13417	2.9
245.15446	13.3
246.14073	2.6
247.11111	2.4
249.12750	2.1
255.11716	3.6
255.13940	2.8
256.12466	4.7
257.13406	3.7
258.13937	1.8
259.13177	2.9
261.12646	1.9
267.11774	4.8
269.13174	2.9
270.14008	3.7
271.15140	3.0
272.11743	2.1
272.15402	1.9
273.12607	1.6
273.14871	12.8
275.14301	2.4
281.13162	4.2
282.14142	2.2
283.11057	2.1
283.14749	2.5
284.11899	2.3
284.15421	2.3
285.12726	3.0
285.15939	2.7
286.13663	1.9
286.17023	1.6
287.17917	2.2
289.15659	1.4
291.16202	2.1
297.12762	3.0
297.16302	4.2
299.14209	4.8
299.17679	3.0
300.15134	3.4
301.12320	2.4
301.15778	4.3
303.13705	2.5
303.17065	1.7
309.12622	2.2
311.17755	1.6
312.15231	3.1
313.15875	5.0
314.16431	2.3
315.13922	3.0
315.17343	7.9
316.17947	1.6
317.15405	2.3
319.16718	1.8
324.15036	1.9
325.15787	5.7
327.13760	3.5
327.17395	6.1
329.15588	2.9
329.19006	4.5
331.16867	5.5
339.17276	3.9
341.15259	4.2
342.16415	1.8
343.16885	7.9
344.17749	1.6
345.18457	3.7
347.16321	3.1
355.16833	3.9
357.18634	8.1
359.16135	2.6
361.17868	3.1
361.21912	2.2
367.17081	2.0
373.17947	7.8
375.19479	4.9
377.17441	3.9
385.18121	2.5
387.19476	3.9
389.21353	7.8
391.18991	4.0
399.19199	3.2
401.17410	4.5
403.18845	5.0
405.20367	3.2
415.19287	2.2
417.20639	15.8
419.18445	5.3
421.19925	1.5
423.21835	1.7
431.22122	3.7
433.20340	8.1
435.21652	4.9
437.19458	6.3
449.23080	5.9
451.21124	10.7
467.24237	1.9
469.22275	6.4
477.22589	5.9
488.66058	1.6
491.24188	2.8
495.23941	2.4
509.25546	3.2
537.24323	4.2
551.26270	5.3
569.27142	5.6
635.28113	2.6
637.29834	3.7
641.91431	1.5
651.31171	13.6
669.32813	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	669.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.01864	1.7
55.05516	67.2
59.05001	1.8
59.54623	1.2
67.05515	1.7
69.03436	1.8
69.07054	1.6
79.05489	4.5
81.03432	1.6
81.07075	1.9
83.04988	100.0
85.59520	1.3
91.05482	14.4
93.07043	4.6
95.04971	2.4
95.59321	1.2
97.06528	1.3
98.21538	2.6
105.03400	1.9
105.07040	13.0
107.04964	3.0
107.08587	2.8
109.06550	1.7
111.04417	3.4
115.05461	12.8
116.06260	1.5
117.07027	27.4
119.04932	2.7
119.08599	17.1
121.06499	2.8
121.10124	2.1
122.59911	1.4
125.02351	1.4
125.05960	1.4
128.06206	6.3
129.07031	8.8
130.07780	1.6
131.08575	8.9
133.06502	4.3
133.10150	7.4
134.07288	2.1
135.08067	5.1
141.06920	3.2
142.07776	7.0
143.08562	11.4
145.06487	20.9
145.10146	10.6
147.04332	1.7
147.08046	7.6
149.09615	6.2
153.06914	2.6
154.07660	1.7
155.08554	6.2
156.09358	10.6
157.06522	2.7
157.10149	18.1
159.08043	11.7
159.11711	5.0
161.05952	5.4
161.09637	7.8
162.06810	3.1
163.07545	5.3
163.11180	2.2
165.06967	3.8
165.09157	6.0
167.08620	4.2
168.09334	1.8
169.10152	9.8
170.10893	8.7
171.08040	10.6
171.11700	33.3
172.08878	2.5
173.06003	17.5
173.09579	7.9
173.13251	1.6
175.07521	10.1
175.11165	2.5
176.08372	2.3
177.09129	23.4
179.08453	2.0
180.09369	2.5
181.10107	5.4
182.10844	1.5
183.08081	5.8
183.11720	23.7
184.08879	2.9
185.06107	1.7
185.09723	8.4
185.13275	33.9
186.10446	2.5
187.07579	4.2
187.11205	5.0
189.09120	8.4
191.08748	1.7
191.10683	8.6
193.10184	2.8
195.08084	2.6
195.11719	6.5
197.09613	6.7
197.13303	4.8
198.10431	3.3
199.07494	1.8
199.11223	10.8
200.11847	1.4
201.09096	3.3
201.12695	3.0
203.07042	2.1
203.10719	4.4
205.08612	12.4
205.10217	1.8
205.12251	2.7
206.10919	1.8
207.11726	3.8
208.12402	2.0
209.09639	4.7
209.13310	2.0
211.11224	8.3
213.09303	3.5
213.12761	26.2
215.10652	3.9
216.09270	1.6
217.10246	2.9
217.12257	2.5
218.10823	2.6
219.11728	4.0
221.13261	4.9
223.11179	4.3
225.09113	2.1
227.10571	3.1
229.10144	2.3
229.12260	3.4
230.10858	2.6
231.09969	2.9
231.11865	2.7
231.13855	3.6
232.12483	1.8
233.13431	3.0
235.11128	2.1
235.14713	2.1
237.12749	2.0
239.10722	1.9
241.12343	4.6
243.11687	4.0
243.13855	6.3
245.11543	3.1
245.13400	2.2
245.15392	16.1
247.11212	2.2
247.15021	2.9
253.12485	2.2
255.11722	3.1
256.12366	2.1
257.13254	4.6
259.11063	3.1
259.13251	2.2
259.15231	1.7
261.12643	4.0
267.11673	4.2
268.12540	1.9
270.14053	2.5
271.15094	2.2
272.12079	1.8
272.15573	2.6
273.12518	1.6
273.14850	15.2
281.13080	2.9
282.14267	2.5
283.11237	2.2
283.14731	4.2
284.11856	3.2
284.15390	1.6
285.12720	3.9
285.16312	4.1
286.13501	2.0
287.17719	2.1
289.14542	4.2
296.11911	1.7
296.15356	2.1
297.12781	3.7
297.16385	3.7
298.13745	2.2
299.14352	4.5
299.17847	2.2
300.14984	3.8
301.12357	1.6
301.15787	4.9
303.17358	1.8
309.12778	1.7
310.13626	2.1
311.14410	2.5
311.17975	1.8
312.15012	1.9
313.12384	2.3
313.15900	6.1
314.16623	2.3
315.13846	2.8
315.17435	8.1
317.15549	2.1
324.15338	1.8
325.15817	4.6
326.16492	1.6
327.13602	3.6
327.17465	7.6
328.14401	1.8
329.15317	3.2
329.19119	5.6
331.16812	2.6
339.17337	5.6
341.15152	1.6
342.16098	1.7
343.16724	7.5
345.18488	1.7
347.16269	1.9
347.20111	2.8
355.16739	2.9
357.18506	12.5
359.16412	4.5
361.17871	2.9
367.16736	2.6
371.20142	3.3
373.17862	3.4
375.19611	5.1
385.18170	7.3
387.19540	4.4
389.21323	7.9
399.19626	6.4
403.18939	4.7
405.20761	3.3
408.64246	1.6
417.20728	22.2
419.22250	2.5
421.24158	1.7
425.20816	1.7
431.22095	6.2
433.20007	2.4
435.21866	7.6
444.14655	1.5
449.23315	8.6
451.21194	2.0
467.24194	2.2
477.22617	8.3
491.24329	2.2
495.23560	1.9
499.24579	1.9
509.25317	9.6
537.24683	7.1
551.26080	5.1
555.25549	2.0
569.27448	14.6
619.29144	1.7
637.30182	10.1
651.31696	18.7
669.21210	1.9
669.32776	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	669.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.6
55.01863	4.3
55.05264	4.7
55.05510	63.9
56.47909	3.1
61.19064	3.3
67.05489	5.3
69.03413	14.6
69.07060	5.4
79.05475	14.3
81.03406	4.4
81.07063	6.6
83.04985	100.0
86.71796	3.2
91.05455	26.9
93.07072	15.6
95.04961	8.1
95.08603	6.7
98.20716	8.6
103.05429	16.0
105.03378	4.8
105.07042	37.3
107.04951	7.3
107.08597	13.0
109.06468	3.9
114.92603	3.0
115.05432	9.2
115.47614	3.1
115.49252	3.0
117.07009	23.1
119.04925	3.4
119.08578	31.0
121.06530	4.8
121.10136	6.0
122.23945	2.9
128.06233	10.9
129.06989	16.4
131.04901	20.1
131.08563	20.7
133.06514	20.6
133.10135	28.3
135.08043	9.0
141.06998	6.6
142.07759	10.1
143.08569	21.4
145.06506	17.9
145.10144	18.7
147.04391	3.6
147.08029	19.0
149.05913	3.2
149.09621	11.4
153.06989	4.0
153.88824	3.0
154.74232	3.7
155.05910	3.4
155.08575	13.7
156.09396	17.4
157.10135	39.5
158.10530	4.1
159.08044	18.0
159.11702	12.5
161.05951	17.5
161.09587	12.7
163.07561	8.1
163.11128	7.0
165.07007	4.6
165.09084	3.4
166.07706	3.2
167.08575	6.5
168.09303	3.3
169.06470	4.0
169.10117	25.0
170.10854	11.1
171.08054	9.6
171.11702	56.8
173.04543	3.4
173.05984	9.1
173.09644	16.8
173.13232	7.4
175.07520	7.8
175.11336	5.3
177.05502	3.6
177.09084	11.4
179.08595	5.1
181.10129	9.9
183.08073	6.5
183.11682	54.1
185.09651	14.9
185.13269	43.2
187.07556	3.8
187.11217	9.3
189.05482	6.0
189.09114	3.5
191.10744	4.7
193.08585	4.1
193.10150	9.9
195.08054	4.7
195.11644	10.7
196.12228	3.8
197.09607	12.5
197.13257	12.8
198.10223	3.8
199.07500	4.4
199.11246	20.7
200.11784	5.0
201.12689	5.0
203.10583	4.9
205.08527	6.8
206.10878	5.3
207.11711	12.7
208.12457	4.0
209.09718	4.3
209.13248	7.3
211.07475	4.7
211.11183	11.9
213.09151	5.5
213.12720	39.4
215.10583	4.4
215.14328	5.6
217.10161	6.1
218.10979	5.2
219.11687	6.1
220.12477	4.1
221.13286	11.3
222.13597	4.8
223.11157	6.8
225.12683	5.0
227.10674	6.4
229.12268	10.6
231.11830	6.2
231.13841	14.3
232.12430	4.4
233.09691	4.2
233.13237	7.6
235.14879	4.7
239.10722	5.2
241.12234	10.5
243.11771	5.4
243.13910	7.6
244.12433	7.7
245.13309	5.8
245.15385	10.1
246.13852	8.1
247.11041	5.3
247.14888	7.8
255.11752	4.2
257.13303	7.7
258.13962	4.1
259.13321	5.3
260.11734	3.6
261.16324	6.6
267.11554	6.3
269.13202	5.1
270.13937	7.5
271.14816	8.7
272.15280	5.4
273.14828	10.1
273.16830	3.1
282.13928	6.5
284.15540	3.7
285.12936	4.8
285.16205	8.1
287.14105	6.3
291.16110	4.6
299.10883	4.0
299.14313	8.3
300.14978	3.3
301.12552	4.2
301.15768	8.1
312.14954	4.8
313.15860	10.5
315.13733	6.3
315.17178	3.9
317.15253	5.8
317.18719	3.7
319.16794	6.0
327.17371	9.5
329.15271	8.5
329.18845	7.8
331.16687	10.3
335.16403	5.1
341.15189	9.0
343.16779	6.1
345.18301	13.2
347.16437	9.1
349.17871	9.4
355.16904	11.8
357.18332	6.4
359.16418	18.4
361.18103	5.9
371.16171	4.6
373.18069	18.0
375.19705	5.2
377.17285	5.1
383.16162	7.4
387.19312	5.3
389.17209	5.0
391.18961	20.0
401.17484	28.8
403.19067	8.1
405.20377	11.8
409.20163	5.0
417.20743	5.9
419.18521	31.0
421.19827	8.1
423.21439	7.3
433.19901	10.9
437.19550	18.0
451.21213	21.6
469.21729	10.3
537.25275	4.4
551.26385	4.8
591.32544	3.5
625.30231	17.8
627.27649	25.4
651.30774	6.3
669.29913	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	669.2921
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
54.17337	0.7
55.05510	3.6
57.03458	0.8
57.07080	1.3
58.85253	0.8
62.62197	0.8
66.29530	0.8
67.05508	12.2
68.05848	1.0
69.07067	5.7
71.04999	1.3
72.08156	4.7
79.05508	6.4
81.07062	13.1
82.07394	1.3
83.08617	3.6
85.06597	1.2
88.20161	1.1
91.05499	7.8
93.07048	6.2
95.04951	0.9
95.08616	9.1
97.06556	0.9
97.10178	2.5
105.07024	4.1
107.08595	2.9
109.10172	4.5
112.60230	0.9
117.07047	3.8
119.08609	3.8
120.08108	1.0
121.10162	3.1
123.11741	0.9
124.56612	0.9
129.07069	1.3
131.08601	4.6
133.10155	2.7
135.11705	2.4
141.07022	0.9
143.08614	1.3
145.10202	2.3
159.11766	1.9
159.50980	0.8
171.11690	2.0
182.91948	1.0
186.57164	0.8
195.09303	0.9
197.10809	1.4
209.10771	2.5
210.11504	1.5
211.08574	0.9
211.12379	1.5
221.10664	1.3
222.11574	1.0
223.08868	0.9
223.12372	4.7
224.13139	3.2
225.13838	7.5
226.14651	1.7
229.71631	0.8
233.10802	0.9
234.11568	1.3
235.12135	1.0
236.09349	0.8
237.13980	3.2
238.14528	1.3
239.08260	0.8
239.15652	2.1
239.17950	1.9
247.12314	1.9
249.13974	3.1
251.11992	0.9
253.13322	1.0
257.19113	2.7
259.12488	1.0
260.12955	1.3
261.14029	1.5
265.13409	2.9
266.14252	1.0
267.14914	4.3
269.13086	0.9
275.15555	3.4
275.20209	1.3
276.16272	1.7
293.12912	2.4
303.15103	2.5
327.13437	1.2
327.25195	5.3
328.25778	1.6
331.22604	1.8
335.17868	1.1
377.18149	1.0
404.16324	1.3
405.17334	1.2
418.18130	1.2
419.18948	1.6
420.19354	1.1
421.20639	1.3
433.16397	1.6
435.21783	2.0
447.18423	2.6
448.19064	1.4
460.19577	1.9
462.20432	2.8
463.21234	5.0
475.21606	2.0
489.19019	2.0
491.20624	3.4
495.24316	1.4
503.21048	1.5
522.22693	1.2
523.27075	2.9
534.23181	0.9
535.23804	1.4
549.25079	11.8
550.25372	1.1
559.23584	1.5
567.26239	2.0
575.43140	2.2
576.43500	1.4
577.24304	7.4
578.25250	1.0
581.27350	1.0
582.28278	2.9
591.25983	3.2
601.44482	1.6
605.23956	10.3
609.27185	21.1
634.47369	1.2
637.26611	58.4
638.27563	1.4
651.28534	1.2
668.45453	2.4
669.29242	100.0
669.45813	7.0
670.29620	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	669.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45827	0.5
52.35748	0.7
55.05487	0.6
58.81178	0.5
67.05450	2.4
69.07015	0.6
69.47413	2.6
69.47826	1.5
79.05455	1.2
81.07001	1.8
83.08553	0.6
91.05408	1.7
91.05920	0.6
92.49094	0.5
93.07009	1.1
94.06516	0.6
95.08543	1.6
96.43033	0.6
98.20657	1.0
102.54070	0.5
105.07001	1.3
107.08519	0.8
109.10082	0.7
115.17070	0.5
118.06474	1.0
119.08533	1.1
120.08042	0.8
121.10117	0.9
129.06970	0.7
131.08533	0.7
133.10046	0.7
134.05959	0.5
135.11722	0.5
145.10088	0.6
146.06023	0.6
146.60876	0.5
169.10106	0.5
169.95564	0.5
188.83842	0.6
189.33131	0.6
197.10623	1.1
207.09152	0.9
209.10719	1.1
210.11354	1.6
211.08720	0.5
211.12192	0.8
220.09923	0.7
221.10709	1.4
222.11406	0.9
223.08682	0.9
223.12271	2.7
225.13779	2.7
226.14659	0.5
234.11429	0.8
235.08685	0.7
235.12216	1.6
237.13814	2.3
247.08763	0.7
247.12337	0.9
249.10178	1.6
249.13965	0.8
251.08034	0.7
253.13275	0.8
265.13620	0.6
275.08093	0.6
277.09793	1.3
291.11349	0.8
314.12827	0.6
325.11850	0.7
326.12897	0.9
331.22110	0.6
338.12912	1.0
340.14307	1.4
354.12186	0.9
366.12231	0.7
368.13797	1.0
380.14005	0.6
394.15860	0.7
399.16425	0.8
400.16949	0.9
405.16840	0.7
410.15753	0.7
413.17773	1.3
414.18890	1.3
415.19260	1.6
417.17188	1.1
418.18021	0.9
419.18497	0.7
426.14432	1.1
427.15625	2.4
428.16229	2.0
429.16592	0.8
429.21490	0.8
439.16495	0.6
441.17227	2.1
442.17743	2.1
443.18567	2.1
452.16385	0.5
455.14233	1.0
455.19485	0.8
456.15237	0.8
456.19983	0.6
457.20624	5.2
458.21072	1.0
459.17902	1.5
460.19244	1.2
463.21277	0.6
467.19016	0.9
469.16248	2.8
470.17294	1.9
471.17383	1.0
471.21951	2.0
472.22800	1.1
474.20407	1.0
475.21686	2.8
484.18884	1.6
485.19888	3.4
487.17053	0.7
489.23154	2.7
490.19962	0.7
491.20779	2.0
497.16022	1.9
498.16977	1.1
499.21317	16.2
500.22299	4.3
501.19464	2.0
502.20029	1.9
503.20779	3.5
504.21286	1.1
509.20120	0.7
510.20007	0.7
511.21579	2.7
512.18610	1.9
513.18781	2.9
515.24634	1.0
517.22473	10.4
518.22882	1.1
520.21271	0.7
527.20831	23.1
528.21204	3.1
531.23730	1.7
543.23883	14.7
545.21759	5.7
546.22906	0.9
549.24677	1.1
555.20526	3.5
559.23346	4.6
560.25116	0.7
563.23035	1.3
577.24609	1.4
587.22913	82.3
588.23346	2.4
591.25916	0.8
605.23907	4.2
609.17944	0.8
619.25507	100.0
620.25787	2.5
637.26508	23.8
638.27295	1.0
669.29510	4.6
669.46759	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19796	1.4
51.25440	1.1
67.05510	2.6
71.31079	1.6
71.31416	1.9
79.05521	1.5
81.07046	2.1
83.35760	1.2
91.05478	2.3
93.07034	2.0
94.06634	1.7
95.08594	1.4
105.07016	1.9
107.08657	1.6
109.10121	1.5
116.10143	1.4
119.08533	1.2
120.08130	2.5
133.10115	1.9
143.08582	1.4
158.09569	1.3
173.13396	1.5
223.12390	2.2
277.09625	1.4
352.11270	1.5
354.12192	1.6
368.14099	1.9
419.18079	1.9
445.16055	2.9
446.16873	2.1
447.17831	2.1
460.18723	2.9
461.19556	2.8
462.20392	1.8
475.21390	4.0
488.18274	2.8
489.18982	4.5
500.14178	2.4
502.20004	2.0
503.20776	15.9
504.21704	2.6
527.20789	2.1
530.19012	2.5
531.20123	10.0
535.23608	8.4
537.24298	1.4
559.23328	2.3
561.25110	25.1
562.21991	2.9
563.22913	43.6
573.20996	1.8
577.24408	4.5
587.22791	3.1
605.23969	100.0
609.26990	3.3
619.25787	7.7
620.25964	2.6
637.26544	53.8
651.28040	6.8
669.29303	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	669.2921
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
51.28346	0.7
59.57119	0.6
66.27287	0.7
68.38751	0.6
71.30116	1.3
74.19203	0.6
79.83210	0.7
100.87650	0.7
103.28710	0.5
120.04447	0.7
120.63377	0.7
132.08054	0.9
132.08989	0.6
144.07994	0.9
146.05984	2.1
165.40337	0.6
166.04965	1.1
171.09135	0.7
172.04016	3.4
172.07655	0.9
174.09152	1.7
178.04977	1.7
195.09171	1.3
196.06059	5.8
196.09889	1.3
197.10715	1.7
199.12180	0.8
204.06508	2.9
207.09171	0.9
209.10684	1.9
210.07637	6.3
210.11537	2.5
211.08601	2.0
211.12215	0.9
212.09410	1.4
213.10295	0.8
214.12257	0.8
221.07130	0.6
221.10753	1.9
222.07739	1.1
223.08533	3.1
223.12193	1.0
224.09418	2.0
225.10187	4.0
225.13753	3.5
226.10973	2.3
227.11772	1.9
233.10741	0.8
235.08633	5.4
236.09441	1.8
237.10271	4.1
238.10982	2.9
239.08151	0.9
239.11784	7.4
240.12593	4.3
241.09813	1.0
241.13441	2.4
248.09299	1.0
249.10262	10.1
250.11043	3.7
251.08229	3.1
251.11717	3.8
252.12552	0.6
253.13376	19.9
261.10376	1.0
263.08173	2.3
263.11868	1.2
264.08835	1.7
265.09808	3.5
265.13492	1.2
268.12122	0.8
274.13544	0.6
276.11438	1.4
277.09683	7.8
278.10358	2.9
279.11093	2.9
281.09357	0.8
281.12726	0.8
288.11499	0.8
289.12540	1.1
290.12885	1.8
291.07672	1.6
293.09216	1.0
295.10843	1.1
298.10001	0.8
299.10480	0.8
300.11523	0.8
300.15018	0.7
301.12399	0.9
302.13031	1.7
305.09238	4.1
307.10828	1.0
309.12372	2.0
310.13181	0.8
311.14044	1.0
312.11423	2.1
313.12286	1.2
314.12784	1.6
316.14505	1.8
322.09561	0.9
323.09821	0.8
324.11459	0.8
325.12061	0.8
326.09317	1.3
326.12927	3.1
327.13675	2.3
328.14545	2.0
329.15289	1.2
330.16180	1.1
333.08597	1.2
335.10077	1.0
337.11804	16.9
337.15903	1.1
338.12921	1.7
339.09967	0.7
340.10806	2.4
340.14560	1.6
341.11490	1.2
341.15247	1.4
342.12451	1.4
342.16190	1.1
343.16769	0.6
353.11349	0.7
354.12338	3.3
354.16217	0.9
355.13101	0.9
356.13968	1.6
358.19159	0.7
360.17160	1.8
362.15283	0.7
363.09802	0.9
366.12482	1.1
368.13770	1.0
369.14706	2.7
370.15579	0.7
382.11758	1.3
384.17099	5.6
386.19067	3.3
389.14148	1.2
397.14029	4.1
400.16748	3.6
402.18472	3.5
403.15680	1.4
404.16364	1.8
405.17343	1.7
412.16602	29.7
412.22128	1.4
413.16684	0.8
414.14508	1.2
416.16544	0.8
417.13562	2.5
417.17963	1.0
418.14084	1.7
418.18790	0.9
419.14761	2.0
419.19128	1.9
428.16174	4.2
429.17010	0.8
430.17752	2.4
431.14557	3.7
431.19965	1.0
432.15317	3.7
433.15781	4.3
433.21515	1.3
443.18182	1.2
444.19269	34.4
445.17169	4.2
446.17505	2.5
447.17853	8.4
448.19214	1.4
458.13913	1.2
459.13464	1.2
459.18338	2.5
460.19244	1.8
461.20547	8.7
462.20544	6.8
463.21255	2.0
473.15305	3.3
475.17618	5.8
475.21960	3.4
476.22403	5.4
487.17496	5.3
488.18433	1.8
489.18988	2.3
489.23215	1.0
490.19562	4.9
491.20712	3.7
493.19278	1.0
501.15433	2.0
502.19989	2.1
503.21103	6.8
504.18124	0.9
505.18933	1.3
506.23764	0.7
507.20450	1.1
509.25589	1.2
515.17218	3.2
517.22607	6.8
518.22314	1.1
519.20520	4.8
520.21014	2.1
521.22028	0.7
530.19781	3.6
531.20551	2.2
533.18359	1.9
533.25555	2.1
534.23425	3.2
535.23456	0.9
545.21844	6.0
547.20056	4.8
548.20752	2.7
549.25134	13.8
550.22784	1.1
555.20569	0.8
561.24097	0.7
562.22272	2.3
563.23059	2.1
573.21234	1.5
577.24493	89.5
578.24854	2.6
587.22919	1.8
593.27942	2.9
595.25464	3.5
605.23956	80.9
606.24329	2.0
609.26978	4.9
619.25317	1.6
620.94672	0.7
623.25458	1.6
637.26575	100.0
638.26611	2.3
669.29236	32.1
669.39398	1.2
670.29425	0.8
689.25952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2921
Annotation	Agrimol G
Peak:m/z	Relative Intensity
50.85944	0.8
53.35590	0.9
54.59370	0.8
55.05507	1.2
57.03462	0.8
58.24202	0.8
67.05517	1.4
71.55090	0.9
79.05495	2.4
81.03425	1.4
81.07063	1.5
83.04976	1.1
84.27004	0.8
91.05486	2.5
93.07073	1.4
94.06580	0.9
95.04978	1.0
95.08625	2.5
97.06549	0.9
101.60582	0.9
103.05483	1.3
105.07034	1.1
118.06548	1.4
119.08561	1.9
120.08128	1.6
129.06998	1.1
131.04964	3.8
133.10205	0.9
134.06026	1.7
144.08096	1.1
145.10146	1.3
147.08101	1.9
149.09627	1.3
162.09196	1.1
165.99626	0.8
174.09213	2.6
178.05016	1.1
183.09256	1.2
197.10844	0.9
209.10727	0.9
210.11507	0.9
211.12321	1.5
222.11491	0.8
223.08766	1.5
225.10260	2.1
225.13991	1.6
227.11838	1.4
235.08766	1.5
237.10349	1.4
239.08165	1.0
239.11826	2.5
241.13420	1.4
249.10345	1.6
251.08195	1.7
253.09784	1.5
253.13322	1.9
255.15062	1.0
263.08130	1.7
265.09842	1.1
267.11362	1.2
277.09830	1.7
285.12497	1.0
299.14081	1.2
314.13095	1.9
315.17618	1.1
316.14328	1.1
326.12766	1.1
327.13733	1.4
330.12512	1.1
334.23834	4.7
335.24203	1.1
337.11960	2.0
338.12808	1.3
340.10901	1.8
340.14661	1.7
344.17859	1.1
354.12564	1.9
358.15604	1.5
400.16724	1.5
403.15317	1.0
412.16772	2.3
419.18997	1.2
421.20184	1.1
430.18503	1.4
432.19617	1.5
435.22083	1.3
444.19183	3.3
445.16348	1.2
447.17987	1.9
448.19257	1.5
449.20016	1.4
459.18503	1.9
461.20004	3.6
462.20724	1.8
463.21506	1.8
465.19485	1.7
471.18433	1.9
473.20459	1.3
474.20392	1.2
475.21356	3.0
476.22150	1.0
479.21091	1.1
487.17664	1.3
489.19183	3.1
490.20087	2.9
491.21106	1.2
493.22812	1.6
494.37628	0.9
499.21280	1.7
501.18826	1.0
502.19989	1.3
503.20856	4.7
505.22537	1.6
507.20163	1.5
507.25058	1.1
517.19373	6.0
519.20184	1.4
525.22125	1.3
534.22913	1.9
535.22784	3.8
539.26410	1.0
545.21753	1.2
547.20685	1.3
548.24249	1.7
549.25446	4.4
550.22260	1.2
561.21161	1.9
562.21954	1.9
567.26263	4.0
576.23370	4.3
577.24493	10.5
581.27661	1.3
587.23071	2.0
591.25519	1.5
595.25897	1.8
604.23547	1.8
605.23871	8.3
609.27069	4.5
619.25482	5.0
627.28241	7.4
637.26685	14.1
641.29749	1.4
651.28198	100.0
652.28351	2.7
668.48676	2.8
669.29272	76.0
669.48914	4.8
670.29431	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2882
Annotation	Agrimol G
Peak:m/z	Relative Intensity
53.03950	0.8
55.05516	6.9
56.05014	0.6
57.03439	3.2
57.07089	0.7
59.05006	0.9
66.90650	0.6
67.05508	13.4
68.05820	1.8
69.03420	1.2
69.07059	1.1
71.04988	1.1
79.05502	3.4
81.03423	9.9
81.07060	4.4
83.04984	9.2
83.08624	3.6
85.02901	1.1
85.06552	0.9
91.05486	5.7
93.07046	2.7
95.04966	3.5
95.08618	1.8
97.06512	0.7
103.05477	2.9
105.03400	1.9
105.07036	4.2
107.04964	1.4
107.08591	2.3
109.02969	0.7
109.06505	1.3
109.10155	11.3
110.10496	3.0
111.04469	1.2
111.08114	1.2
115.05479	1.2
117.07015	2.8
119.08575	4.9
120.08891	1.1
121.06508	1.6
121.10153	1.4
123.04462	0.6
128.06239	0.8
129.07011	1.5
131.04941	4.6
131.08578	2.4
133.06488	2.1
133.10118	1.5
135.08170	0.9
137.09581	0.8
143.08594	1.9
145.06482	1.6
145.10149	2.1
147.08058	2.2
147.11702	1.2
149.09639	1.7
155.08603	1.0
155.10715	1.3
156.09360	1.4
157.10143	5.1
159.08095	2.0
159.11745	2.8
161.06018	1.9
161.09671	1.6
163.07581	1.3
163.11131	1.3
167.10498	0.8
169.10205	2.1
170.10886	1.1
171.08087	2.8
171.11717	5.1
173.06030	0.7
173.09595	2.1
173.11754	2.0
173.13144	0.9
174.11951	0.6
175.11208	1.3
181.10133	1.1
183.08171	0.9
183.11726	3.9
185.09627	1.3
185.13268	5.7
187.11249	1.5
189.05315	0.7
189.09114	0.9
193.10315	0.7
193.12285	2.7
194.12590	1.2
195.11800	1.2
197.09666	0.8
197.13242	0.7
198.10484	0.7
199.11259	2.5
200.57668	0.7
201.09140	0.7
201.12715	1.1
207.11778	0.8
209.09471	0.8
209.13206	0.9
211.11151	1.2
213.09172	0.8
213.12764	8.6
217.12341	1.1
221.13307	1.0
225.08978	0.9
229.12181	1.5
229.14349	15.0
230.14699	5.6
231.13918	1.6
233.13326	1.3
234.14107	0.7
235.14842	1.2
241.12225	1.0
245.13326	0.9
245.15427	1.0
246.13998	1.0
247.14917	0.9
259.13254	0.8
263.14279	0.9
267.15985	9.8
268.16251	7.5
273.14856	1.8
291.16037	2.1
303.17221	0.8
313.14114	1.2
331.17038	0.8
345.18295	0.7
355.16739	0.8
369.20935	0.8
373.17737	1.0
375.17963	4.7
391.19147	1.1
393.20041	1.0
401.17746	1.7
404.25085	1.5
419.18655	1.2
421.25824	7.0
422.26291	16.7
433.20163	1.5
437.19553	1.2
447.21542	2.4
451.21228	1.9
469.22650	0.9
491.20303	0.9
507.23529	0.9
509.21729	2.0
547.26428	1.1
553.28027	0.9
569.23212	1.3
607.28943	1.7
609.26935	1.0
651.27515	3.0
661.89746	0.8
669.28772	100.0
670.29614	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	669.2886
Annotation	Agrimol G
Peak:m/z	Relative Intensity
52.97668	0.7
53.03931	0.9
55.01849	0.9
55.05510	5.8
57.03421	1.7
59.04984	0.5
60.56845	0.6
61.92833	0.6
65.03941	0.8
65.57600	0.5
67.05177	0.9
67.05512	11.1
68.05836	1.1
69.03418	1.0
69.07067	1.2
69.20493	5.9
71.04982	0.9
73.22688	0.7
76.80403	0.6
79.05482	2.5
81.03426	6.8
81.07054	2.8
82.03753	1.0
83.04986	7.2
83.08601	1.8
84.05338	0.5
85.02898	1.0
85.06522	0.6
91.05487	5.3
92.05810	0.6
93.07045	2.0
95.04969	2.6
95.08621	1.5
103.05463	2.5
105.03423	1.3
105.07036	3.5
106.60818	0.6
107.04938	1.1
107.08602	1.8
109.06509	1.0
109.10163	7.4
110.10499	2.2
111.08115	0.8
117.07018	1.3
119.08597	5.1
120.40242	0.6
121.06490	1.0
121.10139	1.3
123.04392	0.9
128.06233	0.6
129.06993	1.5
131.04973	3.3
131.08586	2.6
132.05356	0.8
133.06506	1.3
133.10109	1.7
135.08069	1.0
137.09584	0.6
141.06958	0.7
142.07750	1.3
143.08539	2.1
143.63409	0.6
145.06479	1.6
145.10149	1.9
147.08072	1.8
147.11647	0.6
149.09657	1.1
155.08531	1.1
155.10693	1.1
156.09363	1.1
157.10110	5.0
159.08061	1.7
159.11734	2.0
161.06000	1.5
161.09653	1.3
163.07465	0.6
163.11227	0.8
169.10153	2.2
170.10970	0.9
171.08032	1.8
171.11716	4.2
173.09642	1.9
173.11775	1.6
173.13289	0.9
175.07610	0.8
175.11176	1.3
177.09222	0.7
181.10129	1.1
183.08110	0.7
183.11723	2.7
185.09689	1.4
185.13278	2.9
187.07498	0.6
187.11118	1.2
187.66052	0.6
193.10271	0.7
193.12294	1.8
193.16328	0.7
195.11667	1.2
197.13362	0.9
198.10378	1.0
199.11176	2.2
201.12782	1.3
207.11810	0.8
209.09642	0.8
211.11336	0.8
213.12752	6.8
217.12250	0.6
221.13312	1.0
229.12253	0.9
229.14357	10.2
230.14713	5.3
231.13873	0.8
241.12292	0.9
245.13339	0.9
256.12741	0.7
267.15909	9.3
268.16220	5.6
273.14883	1.9
275.14285	0.7
291.16006	1.6
313.14182	1.1
327.17273	0.7
359.15042	0.6
373.16830	1.0
375.17709	3.1
391.19122	1.2
403.24683	0.7
404.25363	0.9
419.18634	0.9
421.25867	6.1
422.26224	11.2
433.20178	1.4
437.19586	1.1
447.21683	2.2
451.21252	1.4
469.22330	0.9
509.21753	2.0
607.28833	2.4
609.26398	0.9
651.27386	3.3
669.28766	100.0
670.28992	3.3
696.17511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01862	1.2
57.03433	0.5
60.04523	0.5
69.03439	3.0
69.89429	2.5
70.06586	0.8
70.30151	0.4
71.05004	0.6
79.05483	0.8
80.60268	0.5
81.03425	2.5
81.07038	1.2
83.22079	0.4
85.02927	4.1
87.00825	1.8
91.05497	2.2
92.28786	0.5
93.07030	0.7
97.02891	2.8
99.04449	1.1
103.63372	0.6
105.01849	1.1
105.07034	1.5
107.04954	2.1
107.08579	0.5
107.42387	0.4
109.02875	1.8
109.06538	0.5
109.10156	0.9
111.04441	1.8
115.03947	1.4
115.05471	1.1
117.07028	1.4
119.04922	0.4
119.08597	0.8
120.15945	0.5
121.06499	0.8
121.10244	0.6
127.03958	2.7
128.06233	1.8
129.01796	0.5
129.07008	4.7
131.04890	0.7
131.08571	5.3
133.06479	1.2
137.05940	1.0
141.07011	2.3
143.08560	1.9
144.05713	2.0
145.04962	1.3
145.06439	2.3
145.10175	0.5
146.07256	0.9
147.04390	0.7
147.08127	0.5
149.05971	0.5
153.06973	1.0
157.06483	3.3
158.07295	1.4
159.02943	0.8
159.08067	10.4
161.04518	1.0
161.05957	0.8
161.09653	2.3
167.07097	3.1
169.06378	0.6
169.07607	1.4
170.07266	2.1
171.08057	2.3
172.05243	0.6
173.06000	1.8
173.09598	1.9
175.07523	1.4
177.05463	0.6
178.06253	0.7
181.08624	0.6
187.07545	9.2
189.05495	0.9
189.09128	4.9
190.06248	0.6
191.06989	0.7
192.07780	0.8
199.07562	1.0
201.05467	0.9
201.09047	2.7
203.07065	1.6
204.07819	5.3
205.08549	1.5
206.09306	0.5
216.07794	1.3
217.08772	0.7
218.09395	1.1
219.10201	4.7
221.11684	2.8
231.05063	0.7
231.10204	3.0
233.11716	13.4
233.14076	0.7
237.11183	0.7
247.04608	0.6
247.09601	0.6
249.11235	100.0
250.11641	1.5
251.12775	6.1
261.11316	0.5
263.09244	0.7
267.12283	2.2
271.10672	0.5
291.26868	0.6
309.27911	0.6
328.92422	0.5
339.98972	0.5
347.61832	0.5
383.15100	0.5
401.15900	1.0
444.01541	0.5
497.16843	0.7
669.27411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30005	0.9
53.03939	3.2
55.05275	1.9
55.05516	24.6
57.03444	8.1
57.07084	7.0
59.04992	1.0
63.90077	0.8
65.03937	2.5
67.05510	60.6
69.07074	41.1
69.95635	4.4
71.05000	7.6
71.08624	3.1
77.15141	0.9
79.05501	36.1
80.60608	0.9
81.07065	69.4
83.04977	3.1
83.08143	1.8
83.08623	28.4
85.06532	3.8
85.10159	1.3
91.05489	42.0
93.06478	1.8
93.07048	31.3
95.04959	2.9
95.08614	73.4
96.08933	1.4
97.06527	5.2
97.10172	20.1
98.21511	1.2
99.08084	2.1
101.06039	0.9
103.05450	1.4
105.04530	1.3
105.07043	23.3
107.08605	15.7
109.06531	2.4
109.10166	27.4
111.08064	2.9
111.11740	6.9
115.05424	2.9
117.07028	31.3
119.07797	1.4
119.08596	19.7
121.10159	18.4
122.10439	1.1
123.08032	2.0
123.11739	7.6
125.09615	3.3
125.13242	1.3
128.06226	1.9
129.07018	6.5
131.08583	24.5
133.10144	18.4
135.08040	2.4
135.11705	12.8
137.09608	3.3
137.13263	4.3
139.11191	3.0
141.06953	3.4
143.08572	6.8
145.09052	1.3
145.10126	14.5
147.08167	1.2
147.11696	11.3
149.09605	1.5
149.13269	3.6
151.11186	2.9
151.14859	1.2
153.12737	2.7
155.08516	1.2
157.10143	7.6
159.11714	9.3
159.75734	0.9
161.13245	6.7
163.11212	1.8
165.12758	2.8
169.10110	2.3
171.11726	5.9
173.13264	3.4
175.14821	1.8
177.12766	2.3
179.14380	2.1
183.11758	2.2
185.13286	2.8
187.14886	1.3
197.13254	1.5
211.14725	0.9
213.16312	1.0
217.19551	5.2
229.19566	1.8
231.17511	1.9
235.20558	4.2
239.17967	8.9
253.21724	1.7
257.19019	26.5
259.20578	2.1
275.20111	16.3
305.21063	1.9
307.22772	1.0
313.21548	2.9
325.23737	1.9
327.25317	100.0
328.25650	1.7
331.18860	1.9
331.22675	27.9
349.23792	8.6
351.79059	1.0
363.25186	3.8
381.26422	12.6
405.32584	1.0
575.43048	40.9
583.34845	1.3
583.43573	10.4
601.44684	24.9
615.46027	2.6
633.47229	28.0
634.46802	1.4
667.08844	1.1
668.45416	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01872	2.7
55.05515	10.9
57.03443	11.1
59.04992	3.7
60.54457	0.8
63.32914	0.8
65.03944	1.5
66.81864	0.9
67.05511	63.7
69.03423	2.8
69.07060	3.1
70.30707	0.8
71.04987	3.8
71.37454	0.8
73.02915	1.6
73.16645	0.7
79.05497	8.4
81.03424	46.3
81.07061	14.1
83.04984	8.3
83.08627	14.6
84.04491	0.8
85.02905	2.8
85.06568	2.0
91.05489	14.4
93.07054	7.8
95.04980	15.8
95.08611	8.1
97.02892	2.5
97.06545	2.1
97.10151	1.5
103.05461	5.8
105.03386	4.3
105.07047	11.0
107.04963	3.8
107.08623	5.4
109.06507	3.0
109.10165	63.6
111.08088	6.5
115.05475	1.8
117.07001	3.0
119.08581	14.6
121.06499	3.5
121.10147	4.0
123.08090	1.7
124.03948	1.2
127.03934	1.0
128.06194	0.9
129.07062	6.1
131.04945	7.9
131.08583	6.3
132.05261	2.9
133.06502	3.6
133.10147	5.9
135.08025	1.8
136.07553	0.9
137.09619	5.7
142.07793	2.2
143.08556	3.1
145.06503	1.2
145.10133	2.9
147.08051	4.7
147.11736	4.7
148.08420	0.9
149.09613	5.3
155.10666	8.3
157.10155	9.0
159.08055	1.9
159.11760	1.6
161.09688	1.3
163.07561	1.3
163.11227	1.8
169.10165	3.3
170.10934	1.9
171.08018	1.8
171.11671	6.7
172.08655	0.9
172.12105	1.2
173.09566	2.2
173.11761	17.0
173.13144	1.1
175.11186	7.5
180.53166	1.0
181.10117	1.5
183.11749	6.1
184.12019	2.0
185.09613	1.5
185.13269	3.4
186.13631	1.3
187.07535	0.9
193.10365	1.9
193.12253	17.8
195.11679	1.5
197.09508	1.3
197.13310	1.1
199.11208	2.6
205.12138	1.4
207.11617	1.7
211.11258	1.3
213.12749	5.9
214.13177	2.1
215.14127	1.1
220.12582	1.0
221.13136	1.5
229.14368	83.7
230.10773	1.1
230.14835	1.4
231.11636	1.1
231.13811	2.1
236.11824	1.3
244.12276	1.3
249.14807	1.8
251.14128	0.9
260.15625	1.1
263.14218	1.0
267.15939	79.7
268.16254	1.3
273.16284	0.9
275.14075	1.0
275.17859	1.1
277.16037	1.2
292.16376	1.1
298.13318	0.9
303.17554	1.2
329.21240	1.9
331.16745	1.6
369.20663	3.9
370.20953	7.9
375.18085	1.4
391.18893	1.1
401.17911	0.9
403.24884	7.9
409.19955	1.0
410.20364	1.4
419.18045	2.3
421.25882	100.0
422.26218	2.6
428.21658	1.9
430.23450	1.2
463.26462	1.7
463.99649	1.0
470.22565	1.7
488.23477	2.3
520.26282	1.4
651.27625	2.4
668.34558	2.1
669.28888	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	668.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01865	9.6
55.05269	3.0
55.05514	53.5
57.88008	2.1
67.05490	4.9
69.03451	2.0
69.34142	9.5
69.34572	9.0
79.05479	5.2
81.03423	8.4
81.07063	3.2
83.04984	100.0
91.05473	17.0
93.07035	7.9
95.04975	6.6
95.08647	2.9
98.21440	4.2
103.05449	4.8
105.03417	3.6
105.07033	13.1
107.04949	5.3
107.08610	4.6
109.06492	4.0
109.10159	3.4
115.05455	6.6
117.07014	14.7
119.08579	21.0
121.06505	6.3
121.10149	3.3
128.06256	3.7
129.07022	15.1
131.04941	5.9
131.08560	19.4
133.10126	10.5
135.08066	6.5
141.06972	5.1
142.07840	5.1
143.08578	14.1
145.06494	13.5
145.10114	12.5
147.08052	54.2
147.11688	3.2
149.09612	4.7
153.06883	2.7
155.08545	4.9
156.09370	11.2
157.06458	2.3
157.10153	21.3
159.08063	52.4
159.11678	11.5
161.09624	24.7
163.07587	10.8
167.08606	2.7
169.10126	9.3
170.10944	4.0
171.08072	14.3
171.11694	34.1
173.05956	6.6
173.09604	17.8
173.13290	6.3
175.07539	8.3
175.11166	3.1
179.10687	7.8
181.10143	3.3
183.08073	4.1
183.11711	14.5
185.09625	9.2
185.13268	19.1
187.07544	7.6
187.09631	2.1
187.11230	9.3
187.14844	2.8
189.09142	5.9
193.10094	4.5
195.11736	5.1
197.09599	7.4
197.13293	4.6
199.11244	14.0
201.09096	4.5
201.12755	6.1
203.10815	4.0
203.14288	3.6
207.11723	5.0
209.09721	4.5
209.13171	3.0
211.11061	3.3
213.09201	4.1
213.12726	20.9
215.10641	3.2
217.08546	4.3
217.12180	11.5
219.11896	3.1
219.13927	2.8
221.09642	2.4
221.13264	6.0
223.11237	4.4
223.14836	2.6
225.12740	3.5
227.10721	4.1
229.10291	2.5
229.12201	11.5
231.11708	4.1
231.13779	25.6
233.13368	4.8
233.15485	3.0
235.11208	2.9
237.12843	2.5
239.10637	3.4
241.12242	5.6
243.13850	2.6
245.11809	7.8
247.11102	2.3
249.12675	2.6
249.14925	6.5
259.13229	20.5
261.12692	7.1
274.13312	3.0
275.14401	4.1
277.14310	12.6
285.12845	2.9
287.14188	3.2
299.14438	2.8
301.15887	3.7
313.15710	3.4
315.17438	4.1
317.19022	5.0
327.13928	2.5
327.17413	6.0
329.15216	5.3
341.18875	3.5
343.16907	3.7
345.18585	4.8
357.18378	4.4
359.19937	8.5
363.19727	3.8
375.19556	9.4
377.20963	8.1
387.19635	23.2
393.20572	5.1
395.22342	3.7
405.20648	52.7
423.21671	65.9
487.24835	4.0
505.25876	14.5
523.26917	34.7
605.31079	28.9
623.32379	11.6
668.25299	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	668.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85997	3.1
52.69284	3.0
55.01876	22.7
55.05308	3.4
55.05516	37.1
67.05493	11.2
69.03420	7.0
69.07059	7.4
69.81857	16.0
70.18945	3.1
79.05481	15.2
81.03419	18.4
81.07066	16.5
83.04989	54.6
87.04458	3.4
91.05477	33.3
93.07059	16.3
95.04963	14.5
95.08625	5.9
97.06505	5.1
98.21451	4.7
103.05470	6.6
103.72466	3.0
105.07030	26.0
107.04969	9.4
107.08604	8.1
109.06519	5.0
113.32145	2.9
115.05467	11.9
117.07006	17.0
118.06570	3.5
119.04974	3.8
119.08602	36.9
121.06493	6.4
121.10126	7.0
124.35443	3.3
128.06294	6.5
129.07002	21.3
131.04895	3.5
131.08582	17.9
133.10144	36.8
135.08066	5.1
137.58359	3.7
141.06998	4.1
142.07794	12.3
143.08551	21.2
145.05525	3.5
145.06500	18.4
145.10135	17.5
147.06941	5.9
147.08069	100.0
147.09230	5.8
147.11661	4.0
149.09592	13.5
155.08582	11.4
156.09335	12.9
157.10150	34.7
159.08073	34.8
159.11719	15.2
161.09659	46.2
163.07567	39.3
163.11194	7.4
165.07124	3.2
166.07706	3.5
167.08592	3.7
169.10141	17.3
170.10947	12.2
171.08064	7.4
171.11716	59.9
173.05978	4.7
173.09663	32.2
173.13300	9.0
175.07523	7.6
175.11177	7.1
181.10085	7.5
183.11705	50.7
184.12222	3.8
185.09679	18.8
185.13286	40.3
187.11255	10.9
187.14856	3.5
189.09119	6.3
193.10120	7.9
195.08028	3.6
195.11684	10.8
197.09636	12.2
197.13271	10.6
199.11266	19.1
200.11870	3.4
201.09087	6.8
201.12817	10.2
203.10608	7.1
205.12213	4.6
207.11723	7.5
209.09521	6.7
209.13164	6.7
211.11211	9.7
213.12737	33.0
215.10649	7.0
217.12222	7.8
218.10899	3.4
221.13300	5.7
223.11108	7.3
225.12683	4.5
227.10712	6.5
229.12199	5.8
230.15356	4.7
231.13853	8.0
233.15344	5.6
236.16437	9.9
237.12672	5.4
241.12292	20.3
243.11610	3.9
243.13802	13.4
245.15407	34.0
247.14818	3.6
249.12648	5.2
249.16559	3.6
251.14423	4.4
255.13737	11.4
259.13193	17.5
263.16440	4.7
267.15952	9.1
269.13123	6.7
273.14835	38.9
275.14194	7.1
287.14233	4.4
289.15897	3.2
291.16049	6.3
297.12830	3.8
297.26645	3.4
299.14218	3.8
301.15887	7.3
303.17328	4.3
304.26358	12.4
311.14166	4.8
313.15765	5.1
315.17413	6.9
317.19046	9.0
327.17447	21.2
335.25894	3.2
341.18933	10.2
345.18573	10.4
357.18488	5.0
359.20062	14.4
363.19873	3.7
369.18723	7.9
377.21381	4.4
387.19708	22.4
389.20987	7.7
391.22757	11.4
394.86136	3.5
401.21191	37.8
405.20676	6.9
407.22232	10.7
419.22229	68.0
420.22675	3.5
421.79086	3.4
437.23328	22.3
501.02005	3.6
505.25955	3.6
519.27405	13.6
537.28558	6.1
605.31561	17.5
619.32385	7.3
636.25562	17.1
637.24359	4.2
637.33411	11.6
650.45758	6.2
668.27502	9.8
668.45099	10.8
669.28967	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01857	6.9
55.05515	61.9
57.89964	1.5
67.05496	1.7
69.03443	2.5
69.87728	8.3
79.05493	3.6
81.03420	7.2
81.07051	1.4
83.04987	100.0
85.70921	1.4
85.82612	1.5
86.00494	1.5
91.05482	9.7
93.07011	2.5
95.04948	3.9
103.05495	1.7
105.07014	4.9
107.04946	3.3
111.37511	1.5
115.05437	3.5
115.64320	1.5
117.07009	6.9
119.08587	12.6
128.06268	2.8
129.07018	8.5
131.08574	6.9
133.06552	2.1
133.10181	2.2
141.06865	1.8
142.07779	1.9
143.08525	5.6
144.05742	2.1
145.06490	4.9
145.10126	3.4
147.08054	37.4
149.09618	6.9
155.08424	1.5
156.09326	4.1
157.10130	23.2
159.08034	11.5
159.11668	10.3
161.09612	8.3
163.07541	6.5
169.10150	8.7
169.31488	1.5
171.08073	2.3
171.11684	21.0
173.05948	1.8
173.09543	8.4
173.13266	3.2
174.40773	1.5
175.07536	19.2
177.71027	1.5
181.10191	2.7
183.11670	13.4
185.09618	3.9
187.11151	3.8
189.08969	1.7
193.10188	2.5
193.20483	1.6
195.11610	2.9
197.09673	8.0
199.11205	8.1
207.11665	3.1
209.13396	2.4
209.97473	1.5
211.11238	2.6
213.08952	1.6
215.10643	3.8
217.12299	4.0
220.12398	2.2
221.13152	2.7
223.11151	4.3
227.10716	6.3
229.12254	6.8
231.13843	12.3
233.15523	2.7
235.14845	2.2
237.12755	2.3
243.13741	1.8
259.13339	5.1
261.12463	1.9
277.14417	4.6
285.12888	1.8
286.13400	1.6
297.12714	2.0
298.13461	2.5
301.16003	2.2
303.17401	2.8
312.14960	1.6
313.15833	6.6
315.17465	5.8
320.20898	1.7
327.17352	4.7
331.16855	12.3
342.27274	1.8
345.18484	3.0
355.16736	3.5
359.16138	2.0
373.17957	7.9
377.21014	3.6
387.19290	4.1
389.21185	3.6
401.17551	2.6
405.15402	1.1
405.20508	29.8
407.22177	5.5
423.21335	7.4
433.20114	19.4
451.21094	11.4
519.23785	2.0
533.25104	4.8
537.24426	2.2
551.26575	19.9
619.29022	9.4
633.30603	17.4
651.31708	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.0
53.03937	2.7
53.11499	0.9
55.01860	1.1
55.05510	4.2
57.79834	0.7
67.05493	2.1
69.03411	1.2
69.21268	1.3
69.21670	7.1
77.03926	1.0
79.05506	4.6
81.03424	1.1
81.07067	2.4
83.04979	4.2
83.64638	0.8
91.05476	7.7
93.07072	5.0
93.07557	0.9
94.52866	1.1
95.04960	5.1
95.08598	2.7
101.02447	0.8
103.05477	45.3
104.05804	2.6
105.03413	5.9
105.04473	1.1
105.07045	9.0
107.04979	1.9
107.08606	3.8
109.06519	2.9
111.04465	0.9
115.05460	2.7
117.07038	6.6
119.08588	12.8
121.06534	1.9
121.10177	1.3
123.08108	1.6
128.06235	2.1
129.07007	2.9
131.04938	100.0
131.08560	5.3
132.05241	4.9
133.06511	3.1
133.10181	5.0
135.08064	4.1
135.20029	0.9
141.07016	1.5
142.07779	1.8
143.08560	4.6
145.06520	3.8
145.10146	4.7
146.10449	1.1
147.08070	4.0
149.05975	1.6
149.09621	5.4
151.07611	0.9
154.07797	1.5
155.08560	3.1
156.09364	3.6
157.10127	14.8
159.08078	4.2
159.11696	8.6
161.06062	1.8
161.09654	2.6
163.07526	4.5
167.08606	2.2
169.10138	7.5
170.10884	1.3
171.08018	1.6
171.11708	13.1
172.12144	1.9
173.09673	4.0
173.13162	1.8
175.07626	1.4
175.11061	1.0
177.09142	3.5
179.08597	1.1
181.10129	2.0
183.08041	1.1
183.11702	13.5
184.12317	1.2
185.09644	3.3
185.13266	6.3
187.11169	4.8
189.09108	1.7
191.07031	1.0
193.10112	3.4
195.08112	1.5
195.11705	3.8
197.09636	2.9
197.13232	1.6
198.09978	0.9
199.07571	0.8
199.11237	3.8
200.11554	1.2
201.09161	2.3
201.12695	2.0
203.10753	1.1
203.14348	0.8
205.10301	1.2
206.10921	1.8
207.06400	1.8
207.11757	4.2
208.12376	1.6
209.13319	3.1
210.10353	1.3
211.11195	3.0
212.11629	1.4
213.09177	1.2
213.12730	3.2
214.12947	1.3
215.10739	2.5
217.08360	1.0
217.10228	1.6
217.12183	1.9
219.11742	1.3
220.12463	1.3
221.09708	1.5
221.13271	5.1
222.14038	1.3
223.11273	2.1
223.14847	1.4
225.09138	1.5
225.12752	1.4
227.10661	1.7
229.10225	1.4
229.12231	2.7
230.10806	1.2
231.11754	2.4
231.13930	2.4
232.12314	1.9
233.13272	2.3
233.15356	2.7
234.13985	1.9
235.14836	2.3
237.12717	1.1
241.12270	1.2
243.11676	1.6
243.13860	2.3
244.12347	1.7
245.13248	2.5
245.15430	1.6
246.14017	2.0
247.11067	1.9
247.14931	2.4
249.12608	1.3
249.16495	1.6
251.14281	1.1
257.13260	2.9
259.14890	2.3
261.16620	1.7
262.13400	1.1
263.14200	1.3
263.18088	1.0
266.12772	1.2
267.13660	1.0
269.13220	1.1
270.14099	2.0
271.14786	1.1
272.15384	0.9
273.16586	0.9
275.14371	1.1
275.17917	1.2
278.16443	1.0
285.12781	2.0
285.16168	2.3
289.12106	1.3
289.15771	2.9
301.15878	1.4
302.16470	1.1
303.13702	1.7
303.17218	1.4
305.15509	1.0
305.18771	1.6
313.15814	1.1
315.13843	1.4
319.16931	2.1
321.18359	2.2
329.15463	2.0
331.16971	5.1
333.18512	3.0
343.16833	1.3
345.14853	0.9
345.18512	5.2
347.16483	4.2
349.17969	3.4
355.16843	1.0
359.16373	2.1
361.17972	3.1
363.19553	2.6
365.17447	3.2
367.19037	2.3
371.16431	1.1
373.18045	6.9
379.19000	2.1
389.17471	1.8
391.19263	5.1
401.17358	1.6
403.19305	1.2
405.20721	4.3
407.18332	4.3
409.20087	2.0
419.18466	1.9
421.20001	4.4
423.21741	2.7
433.20020	1.6
435.18091	1.8
437.19400	1.1
439.21112	8.2
441.23050	1.2
449.19556	3.0
451.21210	1.7
453.23273	1.2
455.85690	1.0
457.22040	1.1
467.20651	5.3
469.22272	2.6
485.21762	2.6
488.23257	3.1
519.25946	1.1
520.26123	3.1
533.25378	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	668.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.7
55.01839	3.6
55.05512	26.8
57.03431	2.3
67.05506	17.1
68.05021	2.4
69.03426	17.9
69.07088	2.3
70.01948	9.5
70.06593	34.1
71.12637	2.5
79.05481	10.7
80.06475	2.3
81.03416	11.4
81.07068	11.9
82.02943	18.1
83.01337	5.2
83.04989	31.0
83.24122	2.6
84.04484	2.8
86.06071	24.6
87.04485	11.7
87.10894	2.6
91.05478	22.0
93.07053	12.5
95.04980	8.2
95.08605	8.3
96.04515	3.4
96.08144	3.6
97.06550	4.0
98.06059	100.0
103.05460	28.0
104.05814	10.0
105.03379	5.6
105.07043	23.5
107.04892	2.5
107.08591	11.0
108.08133	3.1
109.06516	4.9
109.10136	7.8
115.05449	5.3
116.07061	4.0
117.07034	22.4
117.19899	2.1
119.08588	26.2
121.06506	3.6
121.10173	6.9
122.06024	12.5
123.08057	5.0
124.07596	31.2
126.05537	4.0
128.06195	6.5
129.07019	11.5
131.04924	51.3
131.08571	17.6
132.05270	16.1
133.06488	7.3
133.10132	14.7
135.08067	5.8
136.94495	2.7
137.09668	2.5
141.07022	11.1
141.93202	3.0
142.07793	6.7
143.08548	21.2
145.06488	11.8
145.10143	17.2
147.08075	19.2
147.11620	2.9
149.09619	6.1
150.05533	12.2
153.06998	4.9
154.07750	3.0
155.08560	14.5
156.09322	6.9
156.45662	2.4
157.06509	3.3
157.10165	20.2
158.07303	2.7
159.08061	11.9
159.11713	7.8
160.39455	2.6
161.05960	12.0
161.09613	15.0
162.06303	2.7
162.09009	3.0
165.07076	3.9
166.07648	3.9
167.08574	10.2
168.06619	20.4
168.09326	3.4
169.06500	2.7
169.10144	9.8
170.10855	5.4
171.07997	4.1
171.11765	14.7
173.09669	10.1
173.13289	3.3
175.07581	2.9
175.11189	4.5
177.09192	3.7
179.08563	10.1
180.09329	4.1
181.10164	18.5
182.10861	5.2
183.08099	6.8
183.11717	17.7
184.08812	4.6
185.09560	5.6
185.13280	8.1
187.11177	6.4
190.49570	2.7
192.09303	4.2
193.10147	19.3
194.10852	3.4
195.11720	16.6
196.12593	2.3
197.09637	9.5
197.13171	11.3
199.11169	16.5
201.09140	2.9
201.12672	3.3
202.07831	3.0
202.12231	6.3
203.08594	3.2
205.10150	6.0
206.11076	2.7
207.11650	12.3
208.08847	2.5
208.12531	4.5
209.09622	8.7
209.13255	8.1
211.11229	10.0
213.12729	15.3
215.08656	3.3
215.10634	4.0
215.14479	3.1
216.09195	2.5
217.10138	8.0
218.10895	3.3
219.11732	8.5
220.12469	6.6
221.09708	4.2
221.13298	12.7
223.11171	4.7
225.12779	6.8
226.12201	3.4
228.13498	3.2
229.10133	6.9
229.12245	3.9
229.14392	8.2
230.11273	5.8
231.11716	9.5
232.12482	5.4
233.09642	3.2
233.13214	11.9
234.14044	4.1
235.11197	5.9
235.14958	5.9
237.12785	5.6
241.10056	3.4
243.11710	5.1
244.12669	7.9
245.13576	14.2
246.14119	8.0
247.11299	4.4
247.14807	10.8
248.12698	8.5
249.12631	6.0
251.14342	5.6
254.11562	3.5
255.11757	7.3
256.12488	5.2
257.13315	9.9
258.14029	5.9
259.14844	10.6
260.15549	3.6
261.12833	4.2
261.16394	7.3
263.14346	9.4
263.17682	3.3
266.15375	4.1
267.11758	3.1
267.15942	10.2
269.13266	10.1
270.13925	5.9
271.14847	9.8
272.12762	4.5
272.15735	3.0
273.13101	5.2
273.16360	11.3
275.17892	12.4
276.18228	2.8
277.15857	3.6
281.13269	4.7
282.13937	3.2
283.14871	9.9
284.15482	3.5
285.16333	15.3
286.17236	5.8
287.14560	3.2
287.17871	2.7
289.15790	6.5
293.13226	6.0
295.14832	4.4
297.16293	5.6
298.17023	4.2
299.14325	4.2
299.17987	7.4
301.15933	3.9
303.17459	15.9
305.14075	2.8
306.15012	3.2
308.15518	6.1
309.12766	3.1
311.14246	7.3
311.17844	6.3
312.15543	5.1
313.19537	10.4
315.20959	2.8
319.16800	3.2
321.18622	6.0
323.17953	8.1
324.15988	5.3
326.16736	3.2
329.18936	4.7
331.20651	4.8
341.19043	27.5
343.20535	4.7
357.18430	3.5
359.20129	12.1
369.18466	11.0
387.19342	4.9
414.20343	6.7
421.25867	7.8
426.24509	13.1
430.23975	6.5
442.23645	17.0
444.25412	24.2
446.23279	5.1
448.24728	5.1
452.17618	3.8
454.23914	29.7
460.24698	9.6
462.26379	8.4
470.18869	3.0
472.24893	69.0
490.25952	67.8
504.27179	3.8
508.27249	17.3
514.25348	4.5
522.28674	7.4
532.26971	24.8
550.28070	63.6
568.28998	30.9
572.30634	2.9
618.23950	3.6
650.33136	23.2
668.34418	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	667.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
57.03441	0.5
67.05510	2.8
69.07078	0.9
69.20861	2.3
69.21285	2.7
79.05500	2.2
81.07059	3.1
82.27087	0.5
91.05499	2.2
93.07052	2.7
95.08612	3.5
98.21546	1.1
98.23930	0.5
101.88699	0.4
105.07040	1.0
106.46317	0.5
107.08596	1.2
109.10191	0.6
116.03024	0.6
119.08563	1.2
121.10175	1.2
127.26234	0.5
131.08635	0.9
135.11681	0.5
148.93523	0.5
232.57637	0.4
279.18491	0.5
317.20822	3.4
344.33884	0.6
373.23639	3.7
667.45471	100.0
668.45667	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	667.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
67.05513	3.8
69.07075	1.2
71.14709	0.5
71.15066	0.6
79.05492	2.4
81.07060	2.5
83.08650	0.5
91.05491	2.1
93.07064	2.9
95.03728	0.4
95.08601	2.2
105.07052	1.7
107.08604	1.6
109.10154	1.0
117.07042	0.4
119.08604	1.3
121.10142	1.0
122.10548	0.5
133.10146	0.7
135.11728	0.6
145.10155	0.7
147.11746	0.6
151.29373	0.5
172.44942	0.4
212.86607	0.5
229.23610	0.5
317.20874	3.0
373.23566	2.6
401.17847	0.5
489.29944	0.5
503.43060	0.4
626.09692	0.5
632.46204	0.8
635.25323	0.8
650.02460	0.5
667.45502	100.0
668.45776	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	667.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70610	3.3
51.95291	3.0
53.03931	6.6
55.01870	5.9
55.05275	3.9
55.05515	63.5
59.53053	2.6
65.03946	2.8
67.05499	7.2
69.03423	7.3
69.07065	4.6
69.27106	27.6
79.05494	16.3
81.07043	9.4
83.04987	97.3
84.05338	3.9
85.06512	3.2
86.32902	3.0
91.05483	33.7
93.07053	18.5
95.04957	12.2
95.08611	8.6
96.84351	2.8
97.06517	9.5
103.05489	7.5
105.03415	17.6
105.07037	38.9
107.04968	4.7
107.08602	12.8
109.06529	8.6
111.04456	15.9
115.05422	18.1
116.06245	4.1
117.07023	41.0
119.08585	47.7
121.06493	5.8
121.10162	7.0
123.08098	5.3
125.02354	4.7
125.05947	7.6
128.06212	10.0
129.07027	15.0
130.07843	4.0
130.70566	3.8
131.04938	13.9
131.08563	22.1
132.05249	2.7
133.06482	12.5
133.10129	24.1
134.07257	4.4
134.10567	2.9
135.08049	9.6
141.06969	8.5
142.07755	10.0
143.04955	5.2
143.08572	27.2
145.06487	19.5
145.10143	25.4
145.65353	2.7
145.80432	2.9
147.08035	21.4
149.09625	20.1
151.07588	3.8
152.15997	2.8
153.07033	4.0
154.07779	3.8
155.08531	10.5
156.09352	15.8
157.10138	47.4
159.08046	19.1
159.11699	25.4
160.05226	3.5
161.05998	12.5
161.09639	16.6
162.06760	12.5
162.18033	3.4
163.07578	9.0
163.11218	8.3
165.07004	7.3
167.08519	4.8
168.09369	4.7
169.10153	21.9
170.10927	16.3
171.08064	13.6
171.11682	52.7
173.09653	21.3
173.13353	4.7
175.07584	31.8
175.11182	6.9
176.08360	9.0
177.07616	6.5
177.09117	100.0
178.06271	8.2
179.08507	5.0
180.09328	5.9
181.08571	3.5
181.10101	13.2
182.11024	5.5
183.08112	7.2
183.11697	62.6
185.09659	15.0
185.13281	43.9
187.11169	14.5
189.09090	15.7
191.06976	3.8
191.10658	14.4
192.09320	4.8
193.08597	29.0
193.10175	7.0
193.12178	4.7
194.10846	5.0
195.11681	13.8
197.09624	9.5
197.13223	15.5
198.10365	6.0
199.11269	17.0
201.09085	7.6
201.12697	10.2
203.06987	3.7
203.08882	3.4
203.10675	12.9
205.08549	18.9
205.10239	6.8
205.12242	7.6
206.10895	7.3
207.11713	12.9
208.12318	5.2
209.09653	4.8
209.13356	7.0
211.11188	12.0
211.14740	3.7
213.09239	4.9
213.12744	37.8
215.10699	10.0
217.10211	6.0
217.12228	6.3
219.11800	5.0
220.12514	7.6
221.13264	13.2
222.13907	3.8
223.11107	6.5
223.14796	7.4
225.09247	3.8
225.12749	8.2
227.10666	6.9
229.12209	8.2
230.10701	7.5
231.09872	5.3
231.11708	12.3
231.13826	7.3
232.12428	7.5
233.13249	10.3
233.15407	4.7
234.14079	3.0
235.14772	11.9
237.12665	6.2
237.16394	6.1
241.12187	8.4
243.11703	5.5
243.13843	7.6
244.12328	7.2
245.13448	5.5
245.15451	17.2
246.13916	5.8
247.14915	14.6
249.12814	5.6
249.16370	7.4
251.14253	6.5
255.11609	4.3
257.13208	6.4
259.15030	4.4
260.11838	4.1
261.16321	10.5
263.14108	8.1
265.12131	4.4
270.13831	4.4
272.15515	3.3
273.12384	5.5
273.14731	17.5
275.14258	6.1
277.15906	4.2
285.16318	6.8
287.14383	7.0
289.14615	7.0
300.14960	3.6
301.15796	8.2
303.17355	9.4
305.18726	4.3
307.16943	4.9
315.17374	7.5
317.11243	3.7
317.15286	4.2
317.19009	8.7
319.16937	7.4
321.18509	7.4
327.17493	4.0
329.18442	3.5
331.16855	10.5
333.18442	8.8
343.16815	9.8
345.18427	11.5
347.16351	7.4
347.20129	4.3
349.17639	3.6
357.18362	7.7
359.20227	4.3
361.17941	15.5
365.17450	8.3
373.18051	5.4
375.19553	9.9
377.21204	5.8
379.18973	10.8
385.17682	4.2
389.17307	11.7
391.19186	4.8
393.20490	6.2
403.19370	4.8
405.20578	6.5
407.18506	10.7
411.21588	4.1
417.20621	9.9
419.22348	7.3
421.20047	10.4
431.22327	4.9
435.21536	13.5
437.23361	4.6
449.23358	25.4
467.24725	23.0
535.26630	3.8
549.28149	13.9
567.29529	7.9
635.32025	19.0
649.33856	12.0
667.24628	4.6
667.34882	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	667.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
54.52833	1.3
55.01869	6.2
55.05514	26.5
56.00412	1.3
67.05499	2.1
69.03410	3.0
69.36716	11.5
79.05501	5.1
79.76294	1.3
81.03426	3.3
81.07041	2.6
83.04987	43.6
91.05480	9.8
93.07050	5.8
95.04971	3.8
105.07029	9.8
107.04979	1.8
107.08607	2.3
109.10193	1.4
115.05493	4.6
116.06232	2.2
117.06995	8.0
119.08610	13.2
121.06535	2.7
121.10160	2.5
128.06236	3.6
129.07031	7.5
130.07802	1.3
131.08565	8.1
133.06532	2.5
133.10135	7.1
135.08052	2.0
141.06958	1.8
142.07820	5.3
143.08574	9.6
145.06514	6.0
145.10144	8.3
147.08070	25.6
147.11684	1.3
149.09651	3.8
153.07002	2.4
155.08591	2.9
156.09357	5.6
157.10146	13.5
158.07265	1.8
159.08069	14.3
159.11697	2.6
161.09610	17.1
163.07553	4.2
169.10147	5.2
170.10898	3.4
171.08083	4.5
171.11696	22.5
173.06018	2.3
173.09660	10.1
173.13409	1.6
175.07562	6.0
181.10143	3.8
183.08142	2.1
183.11693	10.7
185.09669	7.0
185.13281	13.4
187.07565	1.9
187.11191	1.9
189.09090	2.4
193.10185	1.7
195.11717	4.3
197.09705	3.9
199.11201	8.7
207.11815	1.8
209.09627	1.8
211.11214	2.2
213.12720	14.6
217.10194	1.8
217.12123	1.9
223.11201	2.7
225.12746	2.0
228.09734	1.5
229.12321	3.0
230.11142	1.6
231.11931	3.4
231.13960	1.7
232.12521	2.1
237.12823	2.5
241.12337	3.9
243.13916	2.5
245.13260	1.8
245.15427	14.2
247.11290	2.0
249.12819	1.9
255.13922	1.8
259.13388	5.3
261.12680	2.0
265.79556	1.5
270.13937	1.4
270.41669	1.3
271.11264	1.9
273.14902	8.8
275.14203	2.0
277.15903	2.1
285.12662	1.8
286.13751	2.6
287.14612	1.8
289.15955	2.7
297.12802	3.6
299.14423	2.5
301.15964	3.2
311.14316	3.8
312.14954	3.3
313.15778	2.0
315.17514	2.4
317.18976	3.0
326.16779	2.0
327.17514	6.0
328.14474	1.7
329.15323	2.5
329.18875	2.9
341.19119	6.1
345.18579	2.7
357.18625	3.8
359.20132	3.5
369.18365	7.4
383.92691	1.5
387.19547	7.2
389.21283	3.2
391.22806	4.0
401.21301	9.3
419.22202	16.4
459.21301	7.3
479.24472	6.1
517.25531	1.8
519.23523	1.9
545.25214	4.3
567.29309	3.2
575.22711	1.7
581.25226	2.3
635.25092	3.7
649.33923	3.6
649.44141	1.7
667.28699	100.0
668.29175	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	667.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01876	10.6
55.05269	3.3
55.05515	53.4
65.03944	2.2
67.05515	5.1
68.85870	2.2
69.03436	3.6
69.07065	4.1
69.34806	12.7
69.35215	4.4
76.43379	2.1
79.05489	8.3
81.03400	5.9
81.07040	7.6
83.04984	100.0
86.12337	2.0
91.05474	25.6
93.07038	9.1
95.04971	7.2
95.08600	5.2
103.05455	2.7
105.03439	2.0
105.07016	11.9
107.04998	4.6
107.08607	6.5
109.06570	2.9
109.10152	3.0
111.08096	1.9
115.05447	7.9
117.07025	16.8
119.08591	22.2
121.06509	5.4
121.10133	4.1
123.08090	3.4
128.06219	4.5
129.07018	16.3
130.07822	2.3
131.04913	4.0
131.08551	16.7
131.23833	1.9
133.06523	3.4
133.10143	16.0
135.08052	4.0
141.06972	6.8
142.07814	10.5
143.08565	16.2
145.06480	11.6
145.10118	12.2
147.08046	51.3
149.09613	5.1
153.07028	2.3
155.08542	6.8
156.09386	10.2
157.10146	23.8
158.07251	3.5
159.08044	29.3
159.11725	3.7
161.09637	40.8
163.07596	6.4
163.11119	3.0
165.06989	6.0
167.08546	4.7
168.09491	1.8
169.08919	1.9
169.10153	10.3
170.10921	6.2
171.08070	10.1
171.11694	40.4
173.06035	4.6
173.09601	17.3
173.13306	2.1
175.07593	9.7
179.08537	4.0
180.09277	2.6
181.10101	4.1
182.10818	2.0
183.08063	4.4
183.11702	17.8
184.08868	2.9
185.09688	15.5
185.13254	31.5
185.85884	2.0
187.07541	2.6
187.11212	8.1
189.09200	3.0
191.60725	2.3
193.10037	3.4
195.08089	2.2
195.11664	8.0
197.09616	7.6
197.13283	7.3
198.10458	2.5
199.11192	15.7
201.09097	2.7
201.12610	1.9
205.12161	3.7
206.10809	2.3
207.11794	4.1
209.09581	2.4
211.11273	4.1
213.09204	2.1
213.12714	31.5
215.10629	4.6
215.14334	2.5
217.10172	2.5
217.12225	3.8
219.11746	3.2
221.13330	3.7
223.11139	6.0
225.12694	3.1
227.10551	2.6
229.10066	2.7
229.12210	3.8
231.13805	4.2
233.13390	3.3
235.11162	3.5
237.12805	2.7
239.10701	3.0
241.12260	6.2
242.29451	1.8
243.11642	4.5
243.13739	4.1
244.12555	2.9
245.11594	2.6
245.15393	24.5
247.11075	2.6
248.11955	2.8
249.12900	2.7
251.14462	2.0
255.11571	2.4
255.13896	3.8
255.55403	2.1
257.13306	3.5
258.14075	3.1
259.10980	3.9
259.13361	7.0
260.11880	2.2
261.12643	2.6
268.12369	3.2
269.13260	4.5
271.10947	2.9
272.11929	2.7
273.12479	3.0
273.14902	23.9
275.14261	5.5
277.16028	2.0
281.13110	2.5
283.11118	4.6
283.14749	4.1
284.15607	2.4
285.12811	4.7
286.13541	2.6
287.14456	4.3
289.16003	3.0
297.12561	4.3
298.13467	3.5
299.11102	2.1
299.14282	7.4
299.17606	2.1
300.14914	2.7
301.15878	7.8
303.13843	2.2
303.17267	2.3
311.14307	4.3
312.14935	4.6
313.12314	2.2
313.15903	5.6
314.13052	2.0
315.17355	5.2
317.18930	5.9
326.16687	3.0
327.17422	15.9
329.15298	5.4
329.18744	2.5
340.14825	2.3
341.19003	11.4
342.15933	2.2
343.17093	2.4
345.18362	9.6
357.18472	7.7
359.20026	10.8
369.18610	17.4
377.21063	2.8
387.19489	19.1
389.21082	10.0
391.22803	7.5
399.15540	2.7
401.21201	20.8
405.20621	2.5
419.22150	30.9
447.21616	5.6
459.21106	2.3
461.23349	4.7
465.22937	3.4
479.24271	10.9
535.26331	2.3
563.35345	4.1
567.29553	3.8
577.46051	2.4
649.33759	5.8
667.28467	24.4
667.38538	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	667.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01871	11.7
55.05268	3.4
55.05515	58.1
67.05486	5.1
69.03429	6.2
69.07052	3.9
72.85701	2.7
79.05487	12.3
81.03417	14.7
81.07046	7.0
83.04985	100.0
91.05470	22.2
93.07019	13.8
95.01331	3.2
95.04981	15.9
95.08604	3.3
98.20703	5.7
103.05455	2.6
105.07029	19.1
107.04951	8.1
107.08608	12.0
109.06510	7.5
115.05469	10.2
116.06253	2.9
117.07053	20.3
119.04926	3.3
119.08591	34.9
121.06506	8.6
121.10203	3.6
124.13263	2.4
127.88755	2.4
128.06219	9.4
129.06995	19.2
131.04929	6.7
131.08577	15.4
133.06506	6.0
133.10112	17.8
135.08057	12.2
141.06985	7.5
142.07761	8.6
143.08557	19.8
145.06474	11.6
145.10135	15.4
146.81227	2.4
147.08049	83.5
147.09215	4.3
147.11646	4.3
149.09656	4.1
153.06998	4.3
155.08540	8.6
156.09377	14.8
156.48085	2.5
157.06413	3.4
157.10124	20.8
159.08086	14.7
159.11697	9.5
161.09636	25.6
163.07547	84.8
165.07050	4.1
166.07793	3.3
167.08551	6.5
168.09352	6.0
169.10121	16.0
170.10808	7.1
171.08044	11.0
171.11699	35.0
173.05933	3.4
173.09630	16.7
173.13272	11.8
175.07571	7.5
175.11237	6.5
179.08513	9.2
181.10100	9.0
182.10909	4.4
183.08063	3.9
183.11726	21.2
184.08795	3.9
185.09612	13.7
185.13222	9.4
187.07588	5.8
187.11182	7.2
187.14789	3.7
189.12738	4.1
192.09367	3.5
193.10162	3.8
194.10886	3.6
195.11700	8.2
197.09544	8.5
197.13290	19.2
199.11272	14.1
199.14738	4.3
201.12741	8.8
205.10168	3.1
206.10847	3.6
207.11702	7.1
209.09662	3.9
209.13239	6.7
211.11240	8.3
213.12738	6.4
215.10651	4.9
215.14333	16.4
217.10188	3.2
217.12199	3.3
217.20132	2.4
218.10829	2.9
219.11638	4.6
220.12434	4.3
221.13202	3.2
223.11153	6.0
223.14784	3.4
225.12714	10.8
227.14384	8.5
229.10316	2.6
229.12234	14.1
231.11749	3.2
231.13803	3.3
233.13222	5.7
235.11137	5.2
235.14894	4.7
237.12762	3.6
243.13884	7.3
245.13277	4.0
245.15506	5.7
247.14523	3.1
249.12767	5.2
251.14116	2.7
253.15831	3.2
259.14810	2.7
261.12579	4.1
261.16473	4.7
263.14246	4.8
270.14026	3.7
271.11151	3.0
273.12860	5.2
277.15869	5.0
281.15280	3.0
283.14603	3.4
284.12024	2.6
284.15485	3.0
287.14230	3.1
293.18765	2.8
299.14438	2.9
303.17279	5.5
309.12622	3.8
313.15784	7.8
327.17111	3.0
328.18280	3.1
329.15164	3.0
329.18637	5.1
338.16769	3.9
343.20514	10.7
345.18399	7.3
347.19827	4.5
353.18945	8.3
356.18005	2.8
359.19965	5.5
361.21548	10.7
371.20038	38.3
389.21161	43.5
407.22302	11.8
412.70151	3.0
431.22064	10.7
449.23401	11.6
467.24417	3.6
471.24518	3.1
531.27319	3.3
533.37946	2.8
549.27887	4.7
567.29126	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	667.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.6
53.03942	5.1
55.01874	12.4
55.05517	37.3
65.03938	1.9
67.05489	2.8
69.03423	3.7
69.07066	3.5
77.03899	0.9
77.63805	0.7
79.05504	11.4
79.77522	0.8
81.03421	8.4
81.07069	4.4
83.04990	60.3
83.39092	0.9
91.05492	21.6
93.07049	9.7
95.01330	2.3
95.04977	12.2
95.08606	3.4
97.06551	1.1
103.05486	2.8
105.03403	44.9
105.04514	2.5
105.07037	16.9
107.04971	9.2
107.08600	11.6
109.06526	7.7
115.05473	7.4
116.06252	1.4
117.07022	19.1
119.04929	1.6
119.08589	26.9
121.06503	7.1
121.10153	3.2
123.08073	1.7
128.06226	6.3
129.06055	1.2
129.07014	17.2
130.07750	2.5
131.04959	1.6
131.08574	15.8
132.05688	1.9
133.06516	5.9
133.09241	1.5
133.10147	14.4
135.07104	1.4
135.08069	16.6
139.07558	1.1
141.07025	4.9
142.07787	7.4
143.08574	14.2
144.05766	1.5
144.09348	2.2
145.06505	10.0
145.10130	13.9
146.07242	1.5
147.08061	77.9
147.11703	2.5
149.09628	3.9
152.06155	1.0
153.07016	1.4
154.07794	1.9
155.08569	7.6
156.09357	11.0
157.06467	1.5
157.10149	20.4
158.07309	1.6
158.10915	2.3
159.08072	25.5
159.11699	10.1
161.05978	3.2
161.09625	17.8
161.13263	1.0
163.07561	100.0
164.07893	1.8
165.07051	3.7
165.09047	1.2
166.07791	1.8
167.08548	4.1
168.09331	3.1
169.06487	1.4
169.10139	10.7
170.07355	1.1
170.10901	3.9
171.08095	6.1
171.11700	36.7
172.08990	1.8
172.12389	1.8
173.06003	3.3
173.09641	14.8
173.13297	13.0
175.07576	12.5
175.11234	4.7
177.09152	3.5
179.08568	5.1
179.10666	1.8
180.09277	2.6
181.06516	1.7
181.10133	6.5
182.07219	1.2
182.10992	5.7
183.08011	2.2
183.11707	15.6
184.12392	1.8
185.09665	10.3
185.13242	14.2
186.10300	2.3
187.07571	2.7
187.11221	6.6
187.14798	6.7
189.09065	2.3
189.12746	3.3
191.10536	1.2
192.09361	2.1
193.10081	3.0
194.10904	3.3
195.07970	1.8
195.11693	8.1
196.08853	1.7
197.09657	6.4
197.11617	1.4
197.13287	14.1
198.10403	2.2
199.07491	1.1
199.11197	10.4
199.14854	3.1
200.11996	1.6
201.09099	3.4
201.12750	8.8
203.10666	3.2
205.10210	1.5
205.12263	1.0
206.10913	2.8
207.11707	5.1
208.12576	1.2
209.09663	2.9
209.13261	8.6
210.10385	2.0
210.14053	1.1
211.11224	6.5
211.14734	1.8
213.09198	1.8
213.12801	8.4
215.10719	3.5
215.14331	16.8
217.08403	1.4
217.10324	1.6
217.12288	2.9
219.09897	1.2
219.11787	2.1
219.13809	1.7
220.12459	1.8
221.09634	2.1
221.13219	3.5
223.11156	4.1
223.14838	3.2
225.09135	1.1
225.12807	6.3
227.10742	2.1
227.14291	10.4
229.10193	1.5
229.12250	8.6
231.11679	2.5
231.13795	9.6
232.12393	1.7
233.09685	1.7
233.13220	2.7
234.10342	1.0
234.14032	1.6
235.11131	3.0
235.14914	4.2
237.12762	3.1
239.14359	2.4
241.12265	3.7
243.11708	1.6
243.13799	5.8
244.12422	1.4
245.11635	2.0
245.15460	2.5
246.10498	1.5
246.13902	2.0
247.11186	1.6
247.14899	1.3
248.11845	1.3
249.12682	1.7
249.16676	1.7
251.10675	1.2
251.14348	2.9
251.17805	1.1
253.12296	1.3
253.15924	2.1
255.13921	1.2
259.10980	1.9
259.13113	4.4
260.11847	1.1
261.12756	2.5
261.16550	2.0
263.14328	1.6
265.12421	1.2
265.15836	1.5
267.13977	1.2
269.13181	1.6
269.15604	1.1
273.12668	2.5
275.13998	1.3
275.16507	1.7
277.14532	1.1
277.15967	1.2
279.13867	1.4
279.17361	1.7
284.12238	1.4
285.12573	1.6
286.13528	1.3
287.14130	2.7
288.14902	0.9
289.15781	1.6
295.16931	3.0
297.12747	1.9
298.13550	1.9
299.14224	2.3
299.17786	1.4
301.15833	1.8
303.13812	1.2
303.17395	2.1
310.17044	1.0
313.15625	2.1
315.17368	2.7
317.18951	3.1
319.16962	1.1
323.14178	1.2
327.17328	3.1
329.15424	1.6
329.18970	3.1
331.16913	2.1
331.20468	1.1
341.19138	1.8
343.20566	5.3
345.18463	5.5
345.21979	1.3
347.20016	3.0
353.19000	3.9
355.19272	1.1
357.18246	1.2
359.20081	4.0
361.21671	7.9
363.19235	1.0
369.18250	1.1
371.20154	19.4
373.20081	1.5
375.19754	1.8
377.21216	2.3
387.19629	4.7
389.21140	36.1
393.20523	1.4
405.20630	10.6
407.22253	9.5
423.21713	7.6
431.22186	4.8
449.23077	7.4
467.24094	4.8
471.25330	1.2
489.26413	3.1
527.23920	2.1
531.27185	1.1
545.25073	2.8
549.27911	2.1
567.29059	2.4
631.32385	1.3
649.27698	3.2
683.78436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01878	10.4
55.05516	63.6
57.07084	15.0
67.05494	2.9
69.03429	3.8
69.07069	3.1
69.60997	11.3
74.97302	1.6
77.53704	1.6
79.05486	8.2
81.03416	9.8
81.07042	3.8
83.04987	100.0
84.89712	1.7
91.05486	19.4
93.07029	9.7
95.04950	11.3
95.08612	2.7
98.20708	2.3
99.80806	1.8
101.02937	1.7
103.05495	2.4
105.07021	14.8
107.04987	5.5
107.08603	6.0
109.06573	2.5
115.05479	9.2
116.06197	1.9
117.07027	15.4
119.08593	21.7
121.06494	4.9
121.10164	3.7
123.08047	2.2
127.85558	1.9
128.06242	6.6
129.07028	14.2
130.07843	3.1
131.08582	15.3
133.10146	15.7
135.08084	3.2
141.06944	3.6
142.07768	6.6
143.08559	17.7
145.06520	19.3
145.10098	10.9
147.08058	61.8
149.09624	4.1
153.07040	2.3
155.08607	5.7
156.09312	14.9
157.06523	2.5
157.10156	22.7
158.07339	3.2
159.08084	26.6
159.11705	5.9
161.09639	29.2
162.96573	1.8
163.07552	8.9
165.07060	3.8
166.07788	1.9
167.08589	3.7
169.10165	8.0
170.10945	4.4
171.08064	8.1
171.11713	33.5
173.06027	8.2
173.09622	18.5
175.07550	15.2
175.11284	3.8
177.09180	2.2
178.07907	1.9
181.10176	3.3
183.08083	1.8
183.11717	20.4
184.12425	1.9
185.09659	17.2
185.13275	24.7
186.10352	1.8
187.07591	5.8
187.11201	5.3
189.09067	3.0
191.10701	3.6
193.10197	3.0
195.11673	9.0
196.12221	2.3
197.09644	4.4
197.13324	6.2
199.11218	16.9
200.11929	5.7
201.09155	4.5
201.12726	3.1
205.10210	2.7
206.10860	2.2
207.11691	4.4
209.09595	4.5
209.13290	3.5
211.11212	4.9
213.09169	3.7
213.12740	22.7
215.10710	5.9
217.08571	4.9
217.12337	4.1
219.11885	2.5
221.13275	3.7
222.10512	2.3
223.11235	5.8
223.14993	2.1
225.12761	2.4
227.08461	1.7
227.10686	5.1
229.10287	3.3
229.12372	7.0
230.10873	2.5
231.11761	4.1
231.13800	27.2
233.13295	2.9
234.10339	2.9
235.11183	3.1
237.12743	4.3
239.10611	2.5
240.11208	2.1
241.12248	12.3
243.11763	3.2
244.12399	3.1
245.11852	6.5
247.11234	2.6
247.14886	2.5
249.12735	2.6
251.10588	2.2
255.11612	2.5
257.13446	2.5
259.10892	3.6
259.13232	24.9
261.12802	4.1
263.14130	2.4
269.13260	3.4
271.10956	2.6
271.14941	1.9
273.12833	5.1
273.15994	2.5
273.63516	2.2
275.14365	4.1
277.14774	2.2
283.14920	2.3
284.15695	2.6
285.12491	3.0
286.13586	3.2
287.14413	4.6
288.15021	2.8
289.15680	2.2
297.12912	4.4
298.13528	3.4
298.17581	1.8
299.14386	3.8
299.17783	3.3
300.14990	4.0
301.15796	6.1
303.13846	2.2
311.14465	5.4
312.15015	3.5
313.15796	5.9
314.12936	3.9
314.16531	2.3
315.13803	3.2
315.17496	4.8
317.15469	3.0
317.19162	5.8
326.16656	3.7
327.13937	3.7
327.17572	8.3
328.18170	4.0
329.15274	5.7
329.18979	3.6
341.19061	6.4
345.18619	8.9
347.16449	2.1
354.16357	2.3
357.18518	3.4
359.20050	8.6
369.18423	11.8
375.19592	7.9
377.21274	9.8
385.52084	2.1
386.82648	2.1
387.19589	42.7
405.20618	40.9
423.21780	6.3
447.21832	10.5
459.21338	3.8
465.22769	23.4
487.24631	2.7
507.27554	2.0
540.12128	2.1
565.27930	4.3
567.29688	6.8
649.33588	7.2
667.28680	58.8
668.29108	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	667.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93494	2.2
55.05507	3.9
59.70649	2.0
63.41822	2.2
67.05506	5.0
68.80795	2.0
69.07036	3.2
79.05476	3.7
81.07058	8.8
83.08622	2.8
91.05477	3.4
93.07034	3.0
95.08617	6.3
98.20782	5.0
107.08634	3.1
109.10159	2.5
121.10140	2.4
124.98974	2.3
146.65240	2.0
151.93613	2.0
158.68959	2.3
223.12263	2.5
420.19879	3.1
441.08972	2.5
463.21286	2.5
491.20941	6.2
501.23572	3.6
503.20721	4.4
518.23151	4.1
550.25909	2.7
560.24286	7.9
565.28375	3.3
568.04681	2.5
575.26569	21.7
588.23944	7.4
593.27594	17.1
603.26251	8.6
635.28796	40.4
649.26678	2.9
667.19598	4.8
667.31274	100.0
667.43280	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	667.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.05514	59.0
59.41704	1.8
67.05499	3.4
67.82877	2.2
69.03417	11.9
70.59255	1.9
71.56262	3.6
79.05495	10.8
81.03413	3.7
81.07065	7.3
83.04987	100.0
85.02915	3.1
91.05481	21.0
93.07050	8.7
95.04987	7.8
95.08613	4.4
97.06542	2.4
99.04455	2.4
103.05466	15.6
105.03410	5.6
105.04538	2.2
105.07040	23.9
107.08595	8.0
109.06535	4.6
109.10146	3.1
115.05455	8.3
117.07022	18.6
119.08590	23.5
121.06503	6.0
121.10149	5.4
128.06218	3.0
129.07030	8.5
131.04942	23.0
131.08629	13.7
132.05278	3.9
133.06509	11.9
133.10135	16.0
135.08080	8.9
141.06978	3.8
142.07813	6.7
143.08583	18.7
145.06520	15.3
145.10158	12.4
147.08032	14.1
149.09584	4.9
154.07761	2.5
155.08543	8.0
156.09352	10.0
157.10152	23.4
159.08070	8.9
159.11694	9.1
161.05974	14.6
161.09642	9.9
163.07562	12.3
165.07054	4.1
166.07785	2.6
167.08563	3.8
168.09448	2.0
169.10126	14.2
170.10938	6.3
171.08047	7.5
171.11688	34.0
173.06029	9.2
173.09639	8.8
173.13313	3.6
175.07535	7.9
175.11270	2.3
177.09119	9.1
179.08516	3.3
181.10130	5.6
183.08173	4.1
183.11705	36.4
184.08800	3.0
185.09625	9.1
185.13272	21.4
187.04129	2.1
187.07584	5.0
187.11212	9.4
188.37762	2.2
189.05487	7.8
189.09111	5.1
191.06985	4.6
192.09290	3.5
193.10179	5.6
195.08104	2.4
195.11676	8.2
197.09610	8.3
197.13222	4.9
199.11212	20.3
200.11949	2.7
201.09094	5.7
201.12753	3.0
203.07083	3.3
203.10687	3.2
207.11708	6.4
208.12392	3.1
209.09731	5.3
209.13263	3.4
211.11229	8.0
213.09196	5.5
213.12752	19.8
215.10715	5.7
215.14296	2.4
217.08563	3.9
217.12192	3.1
219.11682	4.8
220.12477	2.7
221.13361	5.5
223.11192	4.3
223.14847	3.4
224.11992	2.2
225.12848	3.8
227.10666	5.7
229.12257	7.1
231.11888	4.0
231.13866	13.4
233.13309	3.8
235.11201	4.6
235.14825	4.4
237.12856	2.7
241.12251	8.0
242.10988	2.6
243.11803	4.7
243.13850	3.8
244.12447	2.6
245.13411	4.4
245.15489	5.6
247.11201	3.3
257.13428	3.5
259.13367	9.3
260.15765	4.2
261.12735	3.5
261.16470	2.3
262.13489	3.3
263.14313	2.5
269.13367	4.5
270.14066	2.7
271.14966	3.8
272.12170	2.6
273.16541	3.6
274.17111	3.0
275.14279	3.6
277.15811	2.8
283.14764	2.8
285.12912	2.6
285.16354	5.1
286.17285	2.4
287.14551	3.7
287.17920	3.9
289.15894	3.3
299.14420	4.5
301.15961	4.9
302.16473	2.7
313.15906	5.8
315.17419	6.6
317.15497	2.8
319.17081	5.2
320.17667	2.8
327.17334	3.2
328.14548	2.3
329.18698	3.5
331.16803	7.0
333.18448	3.5
339.17496	3.0
343.13141	2.5
343.17001	9.7
345.18289	5.4
347.20117	5.6
357.18576	13.0
361.18146	6.5
369.20596	4.1
373.18024	7.0
375.19815	16.0
385.17963	20.1
387.19498	3.0
393.20517	4.8
403.19003	44.8
409.19427	2.7
417.20578	4.6
421.19971	20.8
439.21323	3.3
463.21201	7.5
471.21774	2.4
481.22067	5.0
567.25964	3.8
649.30164	3.8
667.30927	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	667.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48035	1.5
53.03931	2.0
55.05502	4.0
67.05519	3.1
69.03423	2.0
69.07108	2.0
74.19855	1.3
77.05253	1.3
79.05495	4.6
81.07053	6.3
83.04986	4.7
84.23132	1.3
85.02912	1.6
91.05470	8.8
93.07045	5.7
95.04977	3.4
95.08615	9.0
97.85268	1.3
102.91994	1.2
103.05476	17.8
103.57326	1.3
105.07041	9.8
107.04954	4.4
107.08592	5.9
109.06528	2.7
109.10187	1.7
115.05411	2.4
117.07022	4.6
119.08573	9.0
119.15565	1.9
121.06517	4.8
121.10172	2.4
123.08103	2.1
129.06985	2.1
131.04942	42.8
131.08597	6.8
133.06531	3.7
133.10130	5.5
135.08066	3.8
141.06998	1.6
142.07790	2.4
143.08560	6.4
145.06529	3.4
145.10162	8.2
147.08047	5.5
149.09659	2.3
151.07533	2.3
153.06953	1.3
155.08557	3.9
156.09370	6.1
157.10146	12.5
159.08043	7.8
159.11694	4.5
161.06009	3.5
161.09656	5.7
163.07518	2.8
163.11154	4.4
167.08530	2.1
168.09450	1.4
169.10170	4.9
170.10925	3.9
171.08054	6.9
171.11691	28.0
172.08783	1.6
173.09619	8.2
173.13281	2.6
175.07576	2.3
175.11235	1.5
177.09161	2.3
181.10170	2.4
183.08182	1.8
183.11690	33.9
183.13229	2.6
184.12424	2.2
185.09659	4.8
185.13303	13.6
187.07532	1.9
187.11244	6.0
193.10136	2.2
195.11713	2.5
197.07922	1.4
197.09633	5.2
197.13297	3.9
198.10426	3.9
199.11168	10.4
201.09163	2.2
201.12733	4.9
205.12239	2.1
207.11652	4.3
209.13319	4.0
211.11186	9.2
212.11838	2.0
213.12733	23.0
215.10751	2.0
219.11824	2.3
221.09558	2.3
221.13260	2.4
223.14784	2.9
224.12006	2.0
225.12698	2.6
230.11066	1.7
231.11856	2.1
231.13837	3.3
232.12520	2.5
233.13470	2.3
235.14883	4.1
237.12750	3.8
237.16316	1.7
243.13860	5.2
245.13310	2.2
245.15381	8.0
246.13951	4.2
247.14848	3.7
248.15639	1.5
249.12799	2.4
249.16414	4.1
251.14360	2.2
255.56558	1.3
257.13284	1.9
259.14777	4.2
260.12015	2.1
260.15451	2.2
261.12769	2.0
261.16449	4.3
262.13492	1.8
263.14511	1.5
263.17883	1.5
267.14017	1.5
273.14987	6.3
274.13416	1.8
275.14383	2.7
275.17856	2.5
276.14951	1.6
277.15887	5.7
279.17432	1.7
283.14209	1.5
287.14197	1.8
289.15903	3.2
291.15738	8.9
293.15118	1.6
303.13815	1.8
303.17169	2.5
307.16956	2.6
317.15341	2.3
319.13254	1.8
319.16794	2.3
321.18451	3.2
331.16910	2.7
335.16232	1.9
339.19571	3.0
349.17856	3.1
351.19485	3.0
361.17847	1.6
363.19553	1.8
369.20642	100.0
370.20850	2.9
371.22263	3.4
373.17838	2.4
377.17288	2.1
381.20468	3.1
385.17923	1.6
391.18967	4.1
395.18402	3.4
403.18939	2.5
405.20609	2.9
409.19998	16.9
419.18173	2.1
421.20059	4.2
423.21622	4.1
427.21167	14.2
437.19501	3.8
439.21378	2.0
441.22891	3.2
451.21014	7.7
465.22546	2.0
469.22342	13.8
483.23743	2.1
487.23456	23.0
501.24844	11.2
519.25989	20.2
557.24805	3.1
660.83124	1.5
667.27039	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	667.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.6
53.03939	1.4
55.01872	2.9
55.05510	11.3
64.85442	1.0
67.05501	4.9
69.03436	5.8
69.07056	2.9
71.04974	1.1
79.05511	7.7
81.07063	4.9
83.04980	15.7
85.02889	1.7
85.25678	1.0
85.76637	0.9
91.05482	10.2
93.07043	9.0
95.04970	7.2
95.08608	5.4
95.30779	1.1
97.02900	1.2
97.06528	2.0
98.21456	2.1
101.02367	5.7
103.05471	21.9
105.03374	1.8
105.07038	16.0
107.04958	2.3
107.08598	6.6
109.06522	3.7
111.04443	3.0
111.08112	1.0
112.42995	0.9
115.05483	3.8
116.06249	1.2
117.07010	7.5
119.04965	1.7
119.08591	16.3
121.06519	5.2
121.10141	3.9
123.04420	2.0
123.08056	7.2
128.06241	3.7
129.06993	5.6
130.07758	1.7
131.04939	33.7
131.08563	12.4
133.06473	4.4
133.10155	7.0
135.04439	1.5
135.08057	15.6
137.05966	2.6
137.09674	1.9
141.06947	1.8
142.07767	4.1
143.08592	10.4
145.06569	5.9
145.10129	16.6
147.08055	13.0
147.11681	1.9
149.05988	3.6
149.09648	5.9
151.07538	1.5
153.05431	1.5
153.06967	1.8
155.08568	5.0
156.09377	5.0
157.06502	1.4
157.10135	11.5
158.07260	2.9
159.08044	10.9
159.11743	4.0
161.05986	4.5
161.09624	9.5
163.07542	16.1
163.11192	13.0
164.72606	1.0
165.06923	2.5
167.08556	3.7
168.09348	2.4
169.06548	1.7
169.10159	6.7
170.10951	5.0
171.08081	8.7
171.11694	14.5
172.08817	2.9
173.05995	2.8
173.09618	19.3
173.13257	2.5
175.07574	7.5
175.11162	3.0
177.05472	3.4
177.09129	3.0
178.07764	1.3
179.08540	3.7
179.10645	1.3
180.09386	1.6
181.10091	5.0
182.10948	1.3
183.08128	2.3
183.11714	15.3
184.08900	1.3
185.09648	9.2
185.13281	8.2
186.10396	2.4
187.03989	1.5
187.07545	5.2
187.11252	5.9
189.09129	3.1
191.07051	2.0
192.09329	1.9
193.10132	6.2
194.10933	2.4
195.07997	1.4
195.11717	7.7
196.08846	2.3
197.09601	7.2
197.13260	5.3
198.10454	3.2
199.07532	4.7
199.11183	11.5
200.11920	4.3
201.09117	3.7
201.12759	4.4
202.07588	1.2
203.07025	1.8
203.10631	1.4
204.07753	1.5
205.08524	3.2
205.10262	1.8
205.12082	5.5
206.10922	4.1
207.11812	6.8
207.13640	1.7
208.08871	2.0
208.12489	3.6
209.09645	3.8
209.13248	5.2
210.10464	1.5
210.13928	1.4
211.07594	1.9
211.11169	14.6
212.11897	1.6
213.09119	3.7
213.12755	24.5
213.65738	1.2
214.13550	1.7
215.08606	1.6
215.10661	3.9
215.14336	2.0
216.09354	1.3
217.08434	1.9
217.10309	1.8
217.12169	1.9
218.10802	2.2
219.09956	2.0
219.11771	4.6
220.12514	5.2
221.09792	2.5
221.13306	9.1
222.10422	2.9
222.13850	1.5
223.11244	8.0
223.14706	5.0
224.11957	1.9
225.09070	3.1
225.12741	5.1
226.13707	1.2
227.10672	2.8
229.10274	2.0
229.12305	3.3
230.10916	1.9
231.11842	2.4
231.13896	2.9
232.12459	3.7
233.09634	2.1
233.13422	6.0
234.10394	1.3
234.14043	5.6
235.11191	4.3
235.14763	7.0
236.12125	1.3
236.15538	1.5
237.12740	6.5
237.16434	2.5
238.13406	2.0
239.10670	3.9
239.14297	3.2
241.12271	4.2
243.11729	2.2
243.13846	2.6
244.12486	3.2
245.07974	7.0
245.13303	3.8
245.15402	2.4
246.14040	3.7
247.11238	5.0
247.14989	6.7
248.11931	2.8
248.15700	1.2
249.09094	1.2
249.12849	5.4
249.16429	5.9
250.13518	1.8
251.10619	2.4
251.14352	7.2
253.12228	3.7
253.15796	1.9
255.13916	1.9
256.12411	1.5
257.13342	2.4
258.14102	2.0
259.11136	1.6
259.14713	3.7
260.11880	1.9
260.15662	1.6
261.12811	7.7
261.16379	5.0
262.13510	3.3
263.14297	7.0
263.18149	1.1
264.15253	2.8
265.12140	3.4
265.15872	5.7
267.13931	3.1
267.17435	3.2
269.09314	1.0
269.13153	1.9
270.13925	1.6
271.10989	1.4
271.14633	1.5
272.15543	1.7
273.12415	2.1
273.14981	4.7
274.13525	3.5
275.14301	8.3
275.17371	1.6
276.15021	3.2
277.12793	1.7
277.15900	8.7
278.16748	1.5
279.13867	3.0
279.17462	4.1
281.15594	5.0
281.18552	1.1
283.11136	1.4
285.12808	1.9
285.16095	1.5
286.13434	1.8
287.14243	2.6
288.15137	1.9
289.12466	2.1
289.15833	5.6
290.16611	2.0
291.10635	1.7
291.13803	3.7
291.17377	4.7
293.12381	1.2
293.15381	5.9
295.16986	5.1
297.12875	2.4
298.13574	1.7
299.14282	3.1
301.15872	3.0
302.12924	1.4
303.13727	3.1
303.17444	3.3
305.15344	2.4
307.13538	1.3
307.16919	4.7
309.18567	8.3
313.15701	2.2
315.17407	2.8
317.15326	3.6
318.16052	2.1
319.16946	4.9
321.18494	1.8
325.18246	2.2
329.15073	1.5
331.16809	4.2
333.18494	2.2
335.16296	3.2
337.18042	7.8
341.15094	1.6
343.16736	1.9
344.13882	1.4
345.18546	2.7
347.16455	3.6
349.17914	3.7
351.19571	3.2
355.16611	1.5
357.18610	2.4
359.16373	3.5
361.17972	2.8
362.14362	1.3
363.19672	2.4
365.17529	3.3
367.19046	3.6
369.20752	14.5
373.17920	6.2
375.19727	2.5
377.17453	7.8
379.18918	2.4
381.20737	1.7
383.17471	1.4
385.18106	2.9
387.21686	1.4
389.17444	2.3
391.19022	11.8
395.18573	8.4
401.17331	5.2
403.18936	5.8
405.20221	1.7
407.18521	4.2
409.20108	11.9
413.19305	1.2
415.19092	2.7
419.18533	11.3
421.19928	4.0
423.21780	1.4
427.21198	7.0
433.20062	4.1
437.19604	12.0
439.21213	7.1
441.22635	2.5
451.21179	16.2
455.20786	5.0
459.23486	1.5
469.22244	29.9
471.23587	1.5
481.22473	1.5
487.23315	100.0
501.24829	33.8
507.23532	1.7
519.25922	78.0
617.27466	2.4
631.27490	1.3
649.32483	2.2
667.28223	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	667.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91425	0.7
53.03950	2.0
55.01867	2.0
55.05514	7.4
65.03947	1.3
67.05511	4.7
69.03437	5.0
69.07066	1.5
69.43601	0.9
69.43916	5.3
69.44320	2.0
71.01366	0.9
73.02892	1.0
77.03925	1.1
79.05499	5.3
81.03441	1.1
81.07059	4.5
83.04986	9.9
85.02913	1.1
91.05495	10.0
93.07040	6.5
95.04967	6.5
95.08612	4.7
96.50175	0.8
97.02869	1.2
97.06541	2.0
98.21493	1.7
101.02374	3.9
103.05475	17.9
105.03385	0.9
105.07043	12.6
107.04954	3.3
107.08592	7.3
109.02868	0.9
109.06534	2.8
115.05454	3.5
117.07034	6.4
119.05009	1.4
119.08588	13.5
121.06538	5.7
121.10130	1.7
123.04379	1.8
123.08076	7.5
125.06016	1.1
128.06218	2.8
129.06993	4.1
130.07788	2.7
131.04942	31.3
131.05948	1.6
131.08563	9.4
133.06502	3.0
133.10139	7.8
134.07283	1.0
135.04427	1.5
135.08049	15.5
137.06033	1.0
137.09618	1.9
141.06993	2.0
142.07758	3.2
143.08577	10.6
144.09268	1.1
145.06488	4.7
145.10133	15.9
146.07271	1.5
147.08049	11.5
147.11636	1.8
149.05983	3.5
149.09599	4.4
155.08577	4.7
156.09354	3.6
157.06494	1.7
157.10139	9.8
158.07294	2.3
159.08089	8.5
159.11697	3.1
160.08842	1.2
161.06027	5.4
161.09657	7.4
163.07571	14.8
163.11179	12.5
165.06902	1.8
165.09106	1.3
167.08598	2.5
169.10147	7.3
170.10947	4.7
171.08038	6.2
171.11697	10.1
172.08817	2.5
173.06007	2.0
173.09630	16.7
173.13324	1.2
175.07562	6.7
175.11212	2.9
177.05424	2.2
177.09117	2.6
179.08551	2.6
179.10681	1.3
180.09283	1.1
181.06529	1.0
181.10123	4.9
183.08046	3.1
183.11725	10.1
184.08826	1.4
185.09619	7.5
185.13231	6.1
186.10471	1.7
187.07616	5.1
187.11163	6.3
189.09116	3.7
191.07025	1.1
191.08676	1.4
191.10637	2.3
192.09398	1.6
193.10130	5.0
194.10905	2.5
195.08035	2.5
195.11694	5.5
196.08817	2.0
196.12492	1.1
197.09630	6.6
197.13277	2.7
198.10330	4.5
199.07549	3.4
199.11192	12.6
200.11946	4.4
201.09114	5.6
201.12733	2.5
203.07001	4.2
203.10689	2.0
204.09401	1.2
205.08571	2.6
205.10326	1.8
205.12157	4.1
206.10938	3.4
207.11691	6.6
207.13591	1.5
208.12521	1.0
209.09702	4.7
209.13287	4.4
210.10345	1.1
211.07674	1.0
211.11208	10.7
211.14809	1.2
212.11995	1.5
213.09329	4.1
213.12737	20.4
214.13461	2.0
215.08842	1.2
215.10696	3.9
215.14168	1.2
216.09364	1.2
217.08546	2.2
217.10339	1.8
217.12202	1.6
218.10880	1.6
219.06491	1.2
219.09941	1.5
219.11746	3.9
220.12457	4.6
221.09738	2.1
221.13274	6.5
222.10333	1.6
222.13986	1.6
223.11275	7.2
223.14879	2.9
224.11957	2.7
225.09096	3.2
225.12706	5.2
225.16264	1.2
227.10617	2.1
227.14314	0.9
229.10255	1.2
231.11960	4.4
231.13776	1.3
232.12444	3.3
233.09563	2.1
233.13412	5.8
234.10374	2.0
234.14095	3.3
235.11171	2.5
235.14886	6.5
236.11893	1.5
236.15596	2.3
237.09096	1.8
237.12823	6.3
237.16400	1.5
238.13478	1.4
239.10713	4.6
239.14296	2.4
240.11360	2.1
241.12172	4.3
243.11644	2.9
243.13835	1.6
244.12437	2.4
245.07941	7.4
245.13226	3.4
245.15457	1.9
246.10379	1.1
246.13936	2.4
247.11185	4.7
247.14935	5.9
248.12006	3.1
248.15466	2.0
249.12865	4.2
249.16441	6.1
250.13515	1.5
251.10600	2.5
251.14470	5.1
253.12303	3.1
253.15842	2.5
255.11601	1.4
255.13936	1.6
256.12466	1.4
257.13467	1.1
258.14063	2.6
259.11148	2.4
259.14847	3.3
260.11932	2.5
260.15445	1.0
261.12674	5.1
261.16388	3.6
262.13489	2.3
263.09116	1.6
263.14267	7.1
263.17993	2.2
264.15134	2.5
265.12274	2.6
265.15839	5.8
267.13864	2.3
267.17441	4.6
270.14218	1.4
271.11063	1.3
271.14896	2.6
272.11902	1.1
272.15616	1.4
273.12543	2.1
273.14978	3.5
274.13538	3.5
275.11200	1.1
275.14267	6.4
276.15073	3.6
277.12534	1.9
277.15869	8.4
278.16513	1.1
279.13809	3.7
279.17459	3.0
281.15411	4.2
281.18848	1.1
285.12833	1.3
285.16324	1.2
286.13647	1.3
287.14487	4.0
287.17389	1.2
288.15051	2.0
289.12497	1.6
289.15842	5.3
290.16559	1.2
291.13733	3.1
291.17383	5.7
293.15442	5.7
293.18390	1.4
294.16315	1.4
295.17102	4.8
297.12860	1.8
299.14252	2.0
300.15271	1.5
301.12204	1.0
301.15710	2.8
303.13724	2.8
303.17334	2.2
305.15222	2.9
307.13730	1.3
307.16989	7.1
308.17578	1.2
309.15231	1.4
309.18594	7.2
313.15622	2.0
315.13770	1.6
316.14468	1.1
317.15347	3.9
319.13458	1.4
319.16830	5.2
321.14886	1.2
321.18524	1.8
325.17929	2.5
329.15256	1.3
331.16800	3.2
333.14761	1.6
333.18408	1.7
335.16431	3.7
337.18130	6.1
343.16904	1.5
345.18643	2.4
347.16434	2.1
349.17896	4.3
351.19580	2.8
355.18994	1.4
357.18405	1.2
359.16406	3.7
361.18192	2.2
363.19577	1.9
365.17477	3.7
367.19006	3.4
369.16705	1.3
369.20712	13.1
373.17880	5.3
375.19507	1.2
377.17520	9.6
378.17892	1.1
379.19028	2.0
387.21292	1.3
389.17557	1.7
391.19049	12.0
395.18594	9.0
397.20184	1.0
401.17538	5.2
403.19116	3.5
405.20526	1.6
407.18488	3.7
409.20062	11.4
413.19388	2.9
415.18924	2.0
419.18472	11.1
421.19931	2.1
423.21793	1.9
427.21164	5.8
433.20209	3.2
437.19580	11.6
439.21002	5.5
441.22534	3.8
451.21136	18.8
455.20633	5.1
469.22263	35.7
469.28976	1.7
471.23578	1.6
483.23907	1.3
487.23312	100.0
488.23477	2.6
501.24820	32.4
519.25934	84.6
520.25757	1.3
567.25989	1.9
617.26764	1.6
649.29962	2.7
667.29938	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58665	1.7
67.05509	5.1
69.59036	9.5
72.08158	2.6
79.05489	2.3
81.07076	2.2
91.05508	3.4
93.07066	2.5
93.67229	1.8
95.04990	2.2
95.08641	2.5
97.10253	1.4
98.20807	3.4
107.08600	1.7
143.47157	1.4
171.95174	1.7
221.10760	1.9
313.27524	1.8
322.13535	1.6
389.17798	2.6
390.18851	3.4
391.19409	7.1
398.15213	2.6
403.19461	3.7
404.20483	2.0
405.20728	10.8
406.21426	2.5
416.20172	2.2
417.21417	2.4
418.21490	2.2
419.22449	7.3
420.23270	2.2
421.17270	2.0
433.20398	5.6
435.18265	3.7
445.20642	4.1
447.22440	3.7
449.19687	6.1
450.20602	2.3
458.17480	2.2
460.22644	2.3
461.19357	5.1
463.21078	7.9
464.22040	3.4
465.22894	6.4
473.19727	2.9
474.21170	2.4
478.24100	2.1
479.20508	3.8
489.18753	3.6
493.22305	35.5
494.23004	1.7
501.19150	6.6
505.18604	2.8
515.21039	7.4
516.21454	3.4
521.25592	10.7
531.23724	1.8
533.21844	5.9
537.25043	4.5
547.23395	5.5
551.26941	13.2
553.24377	2.5
565.24524	27.3
570.27850	2.5
575.22906	9.7
579.26270	15.9
580.26807	76.1
589.24207	2.0
607.25616	46.1
608.25677	2.2
635.24994	35.3
639.29022	7.9
649.26508	11.6
667.27710	100.0
668.28015	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	667.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.05505	1.5
57.03430	1.0
57.07064	3.0
67.05495	5.2
69.07043	2.1
69.41284	5.0
69.41685	1.2
71.08622	2.2
79.05481	2.3
81.03407	3.5
81.07063	4.8
83.08602	1.8
85.02903	1.7
85.10193	1.3
91.05482	3.3
93.07044	1.7
95.04968	4.6
95.08607	3.2
97.02840	1.1
97.10169	0.8
103.03896	0.7
105.07018	2.4
107.04953	1.7
107.08591	1.5
109.02847	1.3
109.10153	1.7
111.04431	1.2
119.08590	1.8
121.10149	1.3
123.04430	3.1
128.12405	0.7
131.04938	0.9
131.08540	1.4
133.10115	0.9
135.08006	0.9
137.06003	1.1
145.06483	1.0
145.10121	1.4
147.11646	0.9
155.08534	1.1
163.11195	1.8
178.05046	1.0
193.12189	1.4
207.09224	1.2
220.09805	0.9
235.13310	4.3
237.10255	1.0
245.10828	0.8
249.10239	1.2
259.13205	2.0
261.10193	1.0
263.11908	1.0
273.14880	2.4
277.14371	1.2
301.14203	4.4
313.12204	1.4
313.27451	5.6
314.13028	1.1
325.16089	0.8
326.12936	2.0
327.13568	1.3
328.14441	1.3
337.16357	0.9
340.10864	0.9
340.14520	1.0
341.15182	1.0
342.16266	1.0
354.12161	1.9
358.15762	0.9
368.13922	1.3
370.12112	1.0
372.13586	2.8
375.17883	1.6
378.16519	0.8
385.14474	1.0
388.16788	1.7
396.13660	1.5
399.16211	0.9
400.17160	1.1
401.17926	1.8
402.19055	1.3
413.17862	1.3
414.14352	1.2
414.18970	1.0
415.15063	2.1
416.15952	1.3
427.19348	1.4
428.15558	1.7
429.20981	2.1
431.23001	0.9
443.15079	1.5
445.20645	1.6
449.19781	0.9
457.16180	1.3
458.17310	1.3
459.21869	2.7
463.21356	1.0
472.23029	1.6
473.19833	2.1
483.18060	1.0
485.15683	1.1
487.21289	7.7
498.20453	1.4
500.18454	2.7
501.19211	3.4
515.20892	11.5
516.21582	2.3
519.23792	2.1
529.18732	2.5
531.24341	5.5
543.20190	3.7
547.23413	5.5
547.40155	1.9
551.26373	1.1
557.22034	1.0
561.21234	5.2
575.22839	32.1
579.25861	5.4
603.22314	25.7
604.22833	1.1
607.25732	1.1
613.41156	1.9
621.23889	2.3
631.42590	1.7
635.24969	100.0
636.25183	2.0
649.26990	1.2
649.43237	1.4
667.27325	5.3
667.44171	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76034	1.1
53.03930	3.4
55.01855	1.4
55.05503	4.1
63.44908	1.1
67.05505	2.5
69.03420	1.7
77.03959	1.0
79.05487	3.6
81.03408	2.6
81.07054	2.3
83.04988	5.8
91.05477	6.1
92.74941	1.0
93.07050	3.0
95.04974	7.0
95.08575	2.1
98.06037	1.0
98.21584	2.1
103.05473	41.6
105.03401	1.0
105.04511	1.1
105.07040	10.3
107.08595	1.9
109.06510	2.6
115.05483	3.2
117.07011	3.8
119.08559	4.7
121.06511	2.4
123.04461	1.1
123.08089	2.6
128.06219	2.0
129.07021	2.6
131.04935	100.0
131.08559	3.9
132.05283	1.4
133.06487	7.5
133.10103	2.5
135.08037	3.2
137.05960	1.9
141.06970	2.2
142.07738	2.2
143.08531	4.3
145.06482	4.8
145.10118	1.6
147.08052	3.9
149.05969	2.7
151.07510	1.8
155.08585	2.3
156.09291	3.4
157.06487	1.7
157.10127	3.8
159.08017	5.2
159.11681	2.1
161.05988	17.4
161.09628	1.8
163.07533	4.4
165.09184	1.1
169.06468	1.7
169.10123	2.3
171.08037	2.8
171.11679	4.4
172.08803	1.9
173.09645	6.2
175.07579	2.6
177.05475	2.1
179.07031	2.3
181.10010	3.0
183.08084	3.0
183.11742	1.8
184.08757	2.5
185.05992	1.3
185.09586	3.3
185.13208	1.2
187.07574	3.5
187.11183	3.3
189.05443	1.3
189.09131	1.8
197.09618	4.5
199.07521	2.6
199.11209	6.5
200.08289	1.3
201.09151	3.7
201.12633	1.4
203.07027	1.4
207.11774	1.8
209.09592	3.2
211.11195	1.9
213.09093	2.8
213.12732	3.1
215.10710	2.7
217.08551	2.8
217.12102	1.6
223.11253	1.8
225.09106	2.7
227.06987	4.2
227.10710	6.3
229.08476	6.2
231.10005	2.4
243.10161	2.3
245.08002	1.9
245.11679	14.2
255.09998	1.6
259.09525	2.3
261.11038	2.2
271.09576	1.9
273.11108	6.2
279.14105	1.4
287.12753	2.2
289.10660	2.2
303.12402	1.2
305.13824	3.0
359.16333	1.6
375.15823	2.9
377.17468	1.8
387.15826	1.9
389.13455	1.7
405.16873	3.4
415.14941	1.9
421.16446	3.1
423.17963	2.9
433.16351	3.6
451.17627	9.6
453.19040	1.9
469.18530	8.3
483.20029	4.7
487.19836	1.1
519.25763	1.3
599.23041	5.8
617.23541	3.9
631.25146	1.6
667.32025	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	667.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.5
55.01864	6.4
55.05516	58.3
56.05863	3.6
65.03934	5.4
67.05496	7.4
69.03412	5.5
69.07076	4.3
79.05487	16.5
80.06292	3.1
81.03397	3.8
81.07062	9.2
83.04987	96.7
91.05488	33.3
93.07047	19.9
95.04970	13.4
95.08601	10.6
98.21503	9.4
103.05464	13.8
105.03387	30.1
105.07038	44.4
107.04961	6.1
107.08596	14.3
109.06499	6.2
111.04422	11.9
115.05443	12.6
116.06232	6.1
117.07034	39.1
119.08598	41.7
121.06500	10.5
121.10185	5.5
123.08054	4.2
125.02374	4.1
125.05998	5.6
127.63743	3.2
128.06230	9.6
129.07021	15.5
131.04945	16.3
131.08574	32.1
133.06499	21.2
133.10139	28.5
134.07271	6.1
135.08064	14.0
136.80997	3.0
137.06000	7.4
141.07010	8.3
142.07796	13.1
143.04961	4.3
143.08571	31.5
145.06502	21.7
145.10106	25.2
147.08064	20.7
147.11694	6.2
149.09631	28.2
153.07018	4.1
154.07695	3.0
155.08571	15.6
156.09332	15.8
157.06526	6.2
157.10132	51.0
158.10599	2.9
159.08066	20.9
159.11702	32.3
160.05211	7.2
161.05966	15.3
161.09637	18.8
162.06758	15.3
163.07523	9.8
163.11208	6.3
165.07051	4.7
165.09128	3.7
167.08557	11.0
168.09373	6.8
169.10147	24.6
170.10909	13.2
171.08043	10.1
171.11717	60.0
173.09587	19.9
173.13260	7.1
175.07570	36.0
175.11217	6.5
176.08315	11.2
177.09125	100.0
178.06265	6.6
178.07639	3.7
179.08546	10.9
180.09294	4.2
181.10129	9.3
182.10808	4.7
183.08069	7.3
183.11702	69.3
184.12402	4.2
185.09590	17.0
185.13257	39.9
187.11168	12.7
189.09113	14.2
191.06999	6.7
191.08829	3.7
191.10669	20.0
192.09485	3.1
193.08598	30.9
193.10165	7.7
193.12184	4.5
194.10829	6.7
195.11687	13.4
197.09616	10.5
197.13307	13.8
198.10385	8.2
199.07486	5.1
199.11186	19.1
201.09111	5.8
201.12720	12.0
203.10664	12.8
205.08546	16.3
205.10278	5.5
205.12218	9.5
206.10913	11.5
207.11732	18.1
208.12444	6.1
209.13284	12.1
211.11192	14.3
213.09166	4.6
213.12749	42.1
215.10486	6.0
215.14195	3.4
217.10231	7.3
217.12221	9.3
219.11707	11.7
220.12492	10.3
221.13365	17.7
222.13979	4.5
223.11208	10.2
223.14737	6.7
224.15479	4.2
225.12729	10.5
227.10724	7.3
229.10233	4.8
229.12088	17.8
231.09930	6.4
231.11801	9.6
231.13858	6.7
232.12396	10.0
233.13301	9.0
233.15352	5.2
235.11189	6.9
235.14946	16.3
237.12689	4.0
237.16278	7.3
239.14160	3.5
241.12288	11.4
243.11694	7.9
243.13879	11.9
244.12428	7.1
245.11305	4.6
245.13261	10.7
245.15428	13.8
246.13940	9.7
247.15021	18.0
248.11952	4.3
249.12761	7.5
249.16495	6.4
251.14305	8.6
253.12234	4.3
255.13895	7.0
256.12381	4.5
257.13217	4.0
258.13956	5.5
259.10986	6.1
259.14862	10.1
260.11841	6.3
260.15857	5.0
261.16330	12.4
263.14191	4.4
265.15982	4.6
267.13910	5.9
270.14001	8.6
271.14932	4.0
273.14645	17.8
274.13577	3.5
275.14261	9.0
277.15936	5.5
284.15454	5.1
285.12656	4.0
285.16373	6.2
287.14392	5.6
287.17709	6.9
289.14368	8.8
291.13699	4.3
291.17157	5.8
293.15436	4.9
295.16916	5.5
299.17856	3.8
301.15884	6.7
302.16241	4.0
303.17291	8.0
304.17828	4.5
307.16962	5.1
313.15738	4.2
317.15509	5.0
317.19003	10.9
319.16946	8.4
321.18430	9.7
329.15433	4.3
331.16748	11.7
333.14877	4.5
333.18512	8.4
335.16333	4.1
335.20090	3.7
337.18015	8.2
342.15567	3.9
343.16776	10.7
345.14734	5.0
345.18494	14.2
347.16385	14.0
347.20084	4.6
349.17780	8.1
351.19623	3.5
356.17328	3.4
357.18591	6.0
361.17957	27.7
363.19568	10.4
365.17499	17.1
367.15292	5.4
371.16098	5.1
375.19547	8.8
377.21152	5.3
379.19043	20.9
385.17981	4.1
389.17337	13.4
389.21567	6.0
403.18933	8.6
405.20331	6.3
407.18143	20.9
417.06757	3.4
417.21127	7.3
419.22290	6.8
421.20010	12.0
421.24741	4.2
423.21484	3.9
425.19528	15.2
431.22281	6.6
435.21710	12.1
437.23111	4.9
439.20996	7.3
449.23563	27.0
467.25061	20.8
485.21628	5.3
494.35107	3.4
549.28241	16.8
567.29675	14.6
635.31818	18.1
649.33154	12.3
667.34937	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	667.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
53.67596	0.6
55.05302	0.6
55.05518	7.0
58.05917	0.6
62.46206	0.6
63.19165	0.6
67.05499	1.0
67.28017	0.6
69.38921	5.1
79.05505	1.7
81.07064	1.8
83.04983	8.8
90.05688	0.6
91.05486	4.5
93.07057	3.6
95.04961	1.4
95.08575	1.6
98.20782	1.3
103.05478	2.8
105.03397	1.2
105.07040	3.3
107.04964	1.2
107.08587	1.5
109.06544	1.0
115.05445	1.0
116.06330	0.7
117.07023	2.8
119.08592	4.6
121.06544	1.8
121.10173	1.0
128.06273	1.1
129.07051	1.3
131.04950	5.1
131.08572	2.9
133.06441	1.6
133.10133	4.5
135.08078	2.1
142.07816	1.1
143.08577	2.3
145.06566	1.0
145.10139	3.0
147.08076	2.1
147.14639	0.7
149.05977	1.0
149.09631	1.6
156.09373	1.3
157.10121	4.8
159.08070	1.7
159.11739	2.1
161.09700	1.5
163.07555	1.5
167.08574	1.2
169.10168	3.8
170.10837	1.0
171.11656	3.9
173.09679	2.2
175.07489	1.0
177.09135	0.9
181.10086	1.6
183.08133	0.8
183.11708	3.8
183.78052	0.7
185.09647	2.1
185.13298	1.9
189.09195	0.8
192.07597	0.7
193.10081	0.8
194.10912	0.8
195.11745	1.7
197.09598	1.3
197.13330	2.1
199.11206	3.9
201.09184	0.7
201.12782	1.2
203.10684	0.8
206.11031	1.1
207.11768	2.2
209.09686	0.6
209.13272	1.1
211.11308	1.5
213.12767	2.5
215.10658	0.9
215.14220	0.8
217.10275	0.8
218.10738	0.8
219.11755	0.9
221.13417	1.2
223.14981	1.2
224.12036	0.7
227.10597	0.9
229.12253	0.8
231.11697	1.8
231.13768	1.1
232.12547	1.1
233.13232	1.1
235.14890	1.2
237.09332	0.7
237.12801	1.2
244.12430	1.0
247.11127	0.7
247.14842	1.9
249.12799	1.1
251.10481	1.0
261.16556	1.0
265.12228	1.2
275.18134	0.7
287.14386	0.9
289.15646	0.9
297.11069	2.9
301.15900	0.9
303.17307	0.9
311.14157	0.8
313.14102	1.4
329.19080	0.7
331.17020	1.0
345.18610	0.8
347.16397	1.3
359.20071	0.8
363.15823	1.1
373.18234	1.0
375.19641	1.8
385.17859	1.9
389.21027	1.8
393.20523	1.0
403.19067	5.7
407.22421	1.1
421.20081	4.9
431.18549	0.8
449.19427	6.7
463.20969	2.4
481.21741	1.3
487.23874	0.9
507.19913	1.8
509.21548	13.1
519.25702	0.9
523.23059	3.0
567.21802	7.5
609.26758	22.7
623.28424	1.4
667.27228	100.0
668.27704	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	666.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
54.66810	1.0
55.01867	2.5
55.05271	1.6
55.05515	25.1
57.03443	8.9
57.07076	6.7
64.59886	1.0
65.03922	2.0
67.05508	64.1
69.07071	32.0
71.04984	4.1
71.08614	3.1
75.16386	0.8
77.03905	1.1
79.05500	37.1
81.07061	72.7
83.04984	2.0
83.08144	1.6
83.08624	27.8
85.06532	4.0
85.45988	0.8
91.05485	18.3
93.07047	46.0
94.90105	1.1
95.04967	2.4
95.08609	62.4
97.06528	6.8
97.10181	13.8
99.08068	1.6
105.04510	1.1
105.07034	10.5
107.08597	20.8
109.06544	1.2
109.10162	22.1
111.08069	4.2
111.11716	4.8
117.07014	3.5
119.08585	11.8
121.10148	38.0
123.08089	1.4
123.11707	6.8
125.09628	2.5
125.13300	1.0
131.08545	3.7
133.10132	9.4
135.11707	20.4
137.09515	1.3
137.13260	1.8
145.10095	3.8
147.11671	7.0
149.13257	6.3
151.11183	2.3
153.12737	0.9
159.11642	2.6
161.13287	6.2
163.14833	2.7
171.11656	1.2
173.13358	1.8
175.14801	2.6
179.14270	0.9
187.14890	1.2
241.19487	1.3
243.21057	1.2
245.22583	1.4
259.20538	3.8
261.22104	3.9
263.23816	1.4
273.18509	1.6
275.87125	1.0
277.21576	2.4
279.23203	11.8
291.19562	5.3
333.24271	4.2
341.26691	2.6
351.12854	0.9
351.25308	11.4
353.26868	100.0
354.27136	2.6
355.28427	26.5
393.22495	3.0
613.47968	3.0
631.49347	80.8
632.49744	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	666.494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.8
55.05519	28.5
57.03424	12.4
59.05009	5.9
59.72788	3.7
67.05172	8.0
67.05510	100.0
69.07074	37.2
71.04996	8.4
71.56862	6.3
73.06560	14.8
79.05496	71.0
81.07064	94.1
83.04945	5.7
83.08628	31.4
85.06521	7.0
91.05486	81.9
93.07041	83.2
94.07403	6.2
95.04981	6.3
95.08602	67.7
96.96011	4.4
97.06529	15.1
97.10189	10.9
99.08105	5.0
105.07027	45.2
107.08604	37.6
108.73257	4.6
109.10169	20.5
111.08083	5.1
117.07033	28.7
119.08561	32.8
121.10155	46.9
123.11734	10.2
125.09647	5.2
129.06972	7.0
131.08589	33.2
133.10095	37.4
135.11694	23.6
137.09705	5.3
145.10143	21.6
145.95370	4.1
147.11697	20.7
149.13254	8.0
151.11264	5.8
157.10153	9.0
159.11710	14.6
161.13226	10.1
163.11258	5.1
171.11630	8.7
251.20055	8.1
257.18951	25.5
275.20001	17.3
303.09125	4.9
324.79959	5.1
325.23718	77.9
331.22546	24.3
349.23596	7.3
351.25345	7.9
355.28497	9.1
381.26373	17.6
503.37720	4.0
573.41406	40.7
581.42029	12.0
599.42902	16.7
608.33246	4.4
613.46954	6.7
631.45422	31.3
635.24811	17.1
666.43225	20.7
667.45123	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	666.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.4
60.76820	0.9
61.87231	1.0
63.53360	1.0
67.05515	5.7
69.07063	2.9
69.54259	7.5
71.04990	1.6
73.71743	0.9
76.73455	1.1
79.05506	9.7
81.03409	1.3
81.07061	31.5
83.04981	3.5
83.08602	2.6
85.06536	2.8
91.05473	6.7
93.07051	8.1
95.04965	3.0
95.08624	8.5
97.06535	2.1
99.08120	2.7
105.03407	16.1
105.07042	9.6
107.08611	12.4
109.06518	15.0
109.10162	5.5
111.08080	1.1
115.05373	1.0
117.07029	3.1
119.08582	18.4
121.06493	1.8
121.10139	5.8
123.08081	5.7
123.11693	2.6
125.09599	2.2
129.07024	4.9
131.08614	7.0
133.10156	9.4
135.08067	5.8
135.11678	3.5
137.09613	4.4
142.07774	3.6
143.08563	6.7
145.10126	13.1
147.08133	4.8
147.11693	6.8
148.83768	1.1
149.09616	9.1
151.11232	2.4
153.07013	1.2
155.08566	4.5
156.09355	3.6
157.10143	15.6
158.10960	1.3
159.08089	2.2
159.11696	12.3
161.09644	4.6
161.13281	3.3
163.07605	1.9
163.11171	4.3
165.06886	1.3
165.12753	1.5
168.09364	1.9
169.10115	8.0
170.10880	3.0
171.11679	9.3
173.09615	4.1
173.13268	4.7
175.11194	4.0
175.14861	1.6
177.12778	2.0
181.10150	3.0
182.10788	1.2
183.11702	8.3
184.12450	2.3
185.09586	1.3
185.13242	9.0
187.11208	2.1
187.14857	5.9
189.12733	3.7
191.14305	1.2
193.10260	1.2
193.12183	3.5
194.11020	1.6
195.11703	4.4
197.13226	5.8
199.11162	2.0
199.14830	3.9
201.12794	6.1
201.16461	2.8
203.14316	5.7
207.11713	1.6
209.13290	4.8
211.14777	4.4
213.12775	1.9
214.13251	1.2
215.14322	4.5
218.13046	0.9
221.13239	2.1
223.14783	2.2
225.12769	3.0
225.16444	4.9
226.17018	1.4
227.14409	2.7
227.17949	27.6
229.15881	3.0
235.14784	2.2
237.16519	1.6
239.14366	2.9
239.17964	1.3
241.16005	2.3
243.13832	2.1
243.17479	5.1
245.18980	8.6
247.14728	1.2
249.16473	2.3
251.18033	1.2
267.17511	1.1
269.19012	6.0
283.20465	1.1
285.18530	2.0
287.20059	18.5
291.17743	1.1
293.19003	1.5
307.20837	2.5
309.18805	1.2
309.21957	4.9
325.21497	1.9
327.23184	2.7
333.22241	1.6
335.23630	3.6
349.25171	3.8
351.23178	6.1
353.24817	2.6
359.23703	1.8
367.26343	2.0
377.24774	12.8
384.39740	1.1
395.25842	31.6
449.30453	5.7
467.31659	7.8
499.28421	3.3
517.29523	100.0
518.29541	3.6
550.40985	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01863	4.7
55.05515	3.7
57.03450	1.7
65.03923	2.6
67.05510	14.7
68.05042	1.9
69.03416	4.0
69.07059	2.2
70.06584	3.3
70.70625	1.2
71.05012	2.2
71.55325	1.9
72.04523	10.0
74.06073	4.4
79.05490	6.7
79.26372	1.0
80.05019	3.8
81.03420	14.2
81.07063	7.2
82.02958	6.1
82.06574	3.0
83.04977	4.0
83.08604	2.5
84.08169	2.2
85.02900	2.9
86.06081	2.8
87.04453	1.2
88.03990	2.2
91.05489	11.6
93.03396	2.1
93.05798	1.8
93.07054	9.2
94.06587	1.5
95.04970	9.6
95.08598	4.5
96.04513	1.3
96.08141	1.7
97.06519	3.7
97.10197	1.5
98.06065	8.0
100.07607	2.1
103.05499	2.5
105.07041	13.4
107.04933	2.3
107.08603	5.9
108.04414	1.8
108.08127	9.1
109.06554	2.1
109.10158	2.4
110.06062	6.3
111.04430	1.5
111.08083	2.2
114.05479	1.4
115.05439	5.8
116.07064	2.9
117.07012	6.2
119.03547	1.9
119.04987	1.8
119.08595	14.5
121.06484	2.7
121.10118	3.0
122.06059	2.9
123.08071	3.1
124.07574	1.4
125.05978	1.4
126.05528	56.1
126.09158	4.4
128.06224	3.4
128.07091	1.8
129.07005	8.1
130.07799	2.2
131.04919	3.6
131.07291	2.2
131.08574	11.3
133.06477	4.5
133.10112	6.3
135.08043	4.1
135.11728	1.4
136.06200	100.0
136.07553	11.2
137.04614	1.2
137.09599	2.1
139.07458	1.3
140.07063	1.4
141.07005	2.6
142.07762	3.0
143.08582	13.1
144.06583	13.8
144.09071	1.3
145.06453	2.9
145.10135	14.0
146.08176	1.4
147.04362	1.3
147.08044	5.0
147.11679	3.8
148.08611	1.5
148.09714	1.9
149.05966	1.4
149.09604	3.0
152.05772	1.5
152.07054	2.4
154.07571	1.6
154.08661	19.8
155.08577	4.9
156.06490	1.5
156.09346	3.0
157.10123	10.7
158.07220	2.1
158.09703	2.4
159.08064	8.5
159.11696	5.1
160.07611	1.9
161.05930	1.4
161.09612	3.4
163.11156	5.7
164.07053	7.8
167.08611	1.8
169.10153	3.9
171.08044	4.9
171.11668	10.9
172.08858	2.5
173.09639	16.1
173.13332	1.6
175.07562	1.3
175.11217	3.7
176.10753	4.0
177.09155	2.2
179.08456	1.6
181.10088	2.8
182.08145	34.2
183.08093	4.1
183.11700	6.5
184.08737	1.4
185.09669	8.3
185.13278	1.8
186.09081	2.2
186.10564	1.8
187.11206	9.7
188.10677	3.2
189.09183	1.8
189.12814	1.5
191.10709	3.2
193.10172	3.1
193.12280	3.5
194.10887	1.6
195.11633	1.3
197.09631	4.2
197.13292	1.8
199.11211	22.8
200.09154	2.4
200.11906	1.3
201.09071	6.1
201.12766	4.7
203.10692	11.7
204.10231	22.0
205.10634	1.5
205.12286	3.8
206.11792	29.5
207.11720	4.2
209.09662	2.4
209.13280	3.1
211.11142	5.8
213.09169	2.5
213.12668	2.9
215.10715	5.4
217.10262	1.8
217.12193	2.4
218.11742	2.5
219.11922	1.4
220.09729	2.0
220.12309	1.4
221.13297	3.7
222.11076	2.9
223.11192	3.8
223.14784	2.1
225.08989	1.6
225.12769	1.8
227.10735	5.1
227.14326	1.8
229.12248	2.5
230.11592	1.7
231.13779	2.1
232.13310	6.2
233.11737	3.9
234.14609	3.5
235.11182	2.4
235.14793	3.5
237.12732	3.4
238.10780	1.6
244.13210	1.8
245.11400	7.1
247.11076	1.6
247.13272	3.2
248.12437	1.8
249.12608	2.6
251.14301	2.1
255.09999	1.5
255.13870	1.6
258.11246	4.1
259.13266	13.1
260.12918	7.9
261.12677	1.5
263.14307	1.8
267.16019	6.9
269.15396	2.3
274.13333	1.5
275.14279	1.4
276.12180	3.2
278.13889	6.0
286.14127	2.7
287.14282	1.5
296.14771	2.0
297.14932	4.3
305.14035	4.2
307.16690	1.2
343.15619	1.6
372.19595	1.8
386.20950	3.3
390.20355	1.4
402.20496	2.7
403.17386	3.5
404.22180	4.4
414.20416	4.0
414.26346	1.3
416.22198	1.5
420.21384	1.6
432.21820	16.0
446.23557	2.1
448.21313	3.0
450.22598	11.2
459.27322	2.0
460.21280	4.7
464.24231	4.1
466.21860	2.8
468.23813	2.6
474.22595	1.3
478.22186	5.0
482.25748	1.6
486.32330	1.4
492.23788	2.5
496.22983	3.2
498.24442	1.5
503.33762	4.1
504.34055	12.0
505.24631	1.4
510.24902	3.1
512.64014	1.5
528.25995	2.7
556.25110	1.6
570.27350	1.5
612.34521	5.6
624.75989	1.6
630.35034	14.9
648.35803	2.6
666.26593	5.3
666.37372	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.7
57.03426	0.6
57.07075	0.5
67.05508	6.9
68.05842	0.6
69.07059	1.5
69.09932	0.3
69.25051	2.1
69.25465	1.1
72.39004	0.4
79.05493	4.5
80.05826	0.5
81.07065	6.7
82.07381	0.8
83.04990	0.4
83.08618	1.0
90.73896	0.4
91.05480	3.9
93.07053	5.2
95.04971	0.5
95.08614	3.1
96.08963	0.7
105.07032	1.6
107.08593	2.0
108.08958	0.5
109.10174	1.3
110.10526	0.3
111.08139	0.4
117.07046	0.7
119.08617	2.3
121.10142	3.0
122.10542	0.5
123.11651	0.4
131.08548	1.9
133.10114	1.7
135.11710	1.9
136.12102	0.4
145.10143	1.2
147.11685	0.7
149.13329	0.7
159.11676	0.6
161.13263	0.5
185.13217	0.4
211.21838	0.4
242.19868	0.4
259.20667	0.7
260.21164	0.5
277.21826	0.4
309.12234	0.4
315.19348	3.4
317.20850	1.0
334.24829	0.4
335.25690	0.6
336.26282	0.8
351.25369	1.4
352.25720	1.4
353.26941	1.1
354.27029	0.8
371.22055	2.3
373.23587	1.6
402.30093	0.3
429.20795	0.4
458.24371	0.4
545.25592	3.6
573.24957	0.8
605.27667	6.4
608.95563	0.4
612.47131	0.8
630.47754	1.0
665.43872	100.0
666.44031	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	665.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
55.05510	3.8
67.05515	2.1
69.03421	0.8
69.07056	0.9
79.05472	1.5
81.03408	1.0
81.07053	1.5
83.04992	6.0
90.40311	0.6
91.05476	1.9
93.07056	2.2
95.04995	0.9
95.08621	1.0
97.06533	0.7
103.05482	2.4
104.05853	0.7
105.07041	2.3
107.04994	0.8
107.08579	1.1
109.06491	0.9
109.10143	1.0
115.05399	0.7
117.07031	0.6
119.08604	1.8
121.10177	0.8
129.07013	0.9
131.04945	5.6
131.08578	0.7
132.05312	2.1
133.10149	1.4
143.08525	1.0
145.10152	2.1
147.08093	2.4
149.09659	0.9
149.94537	0.6
155.08543	0.8
157.10167	1.4
159.07973	1.5
161.09656	1.3
163.07635	1.3
171.11739	2.0
173.09703	0.8
183.11745	2.0
185.13280	1.7
186.13678	0.7
195.11742	0.9
199.11200	1.1
207.11594	0.7
209.29933	0.6
213.12785	1.1
216.52005	0.6
229.12236	0.7
245.15512	1.2
251.07671	0.6
273.14990	0.6
275.20322	0.7
306.00061	0.6
369.18680	1.1
387.19708	1.0
401.21106	0.7
405.20773	0.9
412.78070	0.7
565.29388	2.1
569.15582	0.6
605.24103	0.9
605.32562	6.7
665.34473	100.0
666.35046	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	665.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.01861	7.2
55.05510	55.4
65.13892	1.9
67.05503	2.4
69.03403	2.4
69.07056	2.8
69.36533	1.9
77.92955	1.8
79.05467	4.6
81.03407	7.0
81.07056	2.7
83.04980	100.0
91.05478	14.3
93.07028	7.4
95.04970	8.1
95.08580	3.8
103.05452	3.1
105.03385	6.7
105.07048	13.3
107.04934	4.3
107.08585	4.6
109.06536	5.1
115.05458	7.1
117.07020	14.2
119.08578	18.2
121.10146	3.0
128.06213	5.6
129.06993	10.7
131.04935	7.1
131.08594	9.6
133.06458	5.5
133.10130	10.5
135.08037	3.6
141.06895	2.3
142.07747	6.4
143.08575	13.0
145.06509	13.3
145.10141	9.1
147.08054	34.6
149.09613	4.1
155.08488	2.6
156.09372	9.4
156.61656	1.9
157.10107	18.5
158.10657	2.0
159.08057	23.8
159.11668	5.0
161.09612	19.3
163.07532	5.5
167.08574	4.3
169.10164	10.7
170.10818	6.2
171.08003	5.8
171.11690	34.3
173.05968	4.9
173.09660	14.3
173.13422	2.0
175.07515	8.9
175.11214	3.3
177.09074	3.6
180.09349	3.2
181.10118	2.1
182.10745	2.2
183.08058	2.5
183.11688	16.2
184.08861	3.7
184.12032	2.7
185.09648	10.2
185.13264	18.5
187.07564	3.4
187.11165	6.4
189.09088	3.3
191.10577	2.9
193.10164	3.5
195.11632	5.8
197.09615	8.1
197.13258	5.7
198.10362	3.2
199.11163	15.2
200.11902	4.1
201.09116	4.7
201.12788	3.4
203.10649	2.1
206.10974	2.6
207.11755	5.6
208.12445	2.1
209.09645	3.3
209.13124	2.7
211.11218	4.5
213.12758	15.2
215.10655	2.1
215.14247	1.9
217.08545	2.7
217.12222	4.0
219.11678	2.9
221.13246	6.0
223.11151	2.1
225.12669	3.5
227.10704	3.3
229.10083	3.5
229.12193	7.5
231.11592	3.3
231.13762	21.2
233.13228	2.9
235.10999	3.1
237.12643	3.0
239.10553	2.3
241.12343	10.4
243.11497	2.2
243.13771	3.6
244.12379	2.9
245.11618	3.3
246.13818	2.5
247.14828	2.4
249.12715	4.3
251.14212	2.3
254.10800	2.3
257.11566	2.5
259.13214	17.2
261.12811	2.9
265.12424	2.2
270.13931	1.8
271.14505	2.5
273.12686	4.4
273.15613	2.6
274.13525	2.0
287.14459	2.4
288.14853	2.9
289.15927	2.2
297.12671	4.6
299.14212	2.4
301.15781	2.8
303.17426	3.0
311.14297	3.6
312.15225	3.0
313.11838	2.5
315.17468	5.6
317.15189	2.2
317.19003	4.2
327.17410	7.9
328.14633	2.1
328.18103	4.2
329.15259	6.9
341.19180	4.2
345.18484	6.2
347.16095	3.7
349.76892	2.2
354.15948	2.6
357.18286	2.8
359.20050	6.7
361.17523	3.3
369.18436	8.1
375.19568	6.4
377.20953	7.1
387.19556	30.0
390.18167	2.2
405.15735	3.8
405.20648	36.0
423.21695	4.9
447.21698	5.0
456.79559	2.0
465.22681	13.6
486.22012	2.2
547.26825	2.3
565.27856	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	665.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.01879	5.6
55.05515	60.0
56.55415	1.2
62.15616	1.1
67.05504	3.9
69.03429	2.0
79.05504	5.5
81.03437	3.4
81.07079	3.9
83.04989	100.0
85.02870	1.3
91.05507	12.8
93.07042	4.5
95.04984	6.2
95.08619	3.5
95.96848	1.2
97.06532	1.4
98.20692	2.5
103.05477	9.6
105.03374	2.3
105.07037	11.6
107.04945	3.8
107.08612	3.5
109.06508	2.1
114.10567	1.2
115.05486	6.7
117.07056	11.2
119.08601	15.2
121.06472	2.3
121.10162	2.2
123.08096	1.2
126.42731	1.1
128.06233	5.6
129.07013	9.4
130.07774	1.8
131.04959	12.9
131.08595	9.8
132.19513	1.5
133.06499	7.3
133.10141	8.9
133.38641	1.6
135.08041	3.3
141.07005	2.6
142.07800	6.5
143.08586	11.3
145.06505	10.3
145.10152	10.2
146.07324	1.7
147.08063	27.8
149.05978	1.4
149.09639	3.3
153.06932	1.7
154.07829	1.7
155.08565	5.6
156.09346	7.2
157.06630	1.3
157.10133	13.3
159.08076	14.8
159.11710	4.1
161.05998	7.4
161.09625	14.5
163.07552	4.6
163.11256	1.7
165.07010	2.5
167.08565	2.9
168.14067	1.2
169.08902	1.2
169.10173	7.3
170.10912	4.2
171.08052	6.2
171.11726	25.8
173.05998	1.9
173.09618	11.0
173.13271	1.4
175.07538	6.4
175.11191	2.7
180.09377	1.6
181.10149	3.3
183.08110	3.8
183.11696	16.0
184.08821	1.9
185.09637	9.5
185.13284	15.1
187.07527	2.6
187.11230	5.4
187.14873	1.4
189.09129	3.4
191.10716	1.9
193.10158	3.5
195.11806	5.9
197.09666	4.5
197.13306	5.1
198.10463	2.4
199.07515	2.4
199.11192	9.3
200.08412	1.5
200.11945	1.9
201.09117	3.6
201.12822	2.4
203.10609	2.6
205.10178	2.1
206.10909	1.6
207.11703	2.9
209.13271	3.8
211.11217	6.2
213.09186	2.2
213.12759	13.4
215.10762	2.8
215.14304	1.7
217.08534	1.6
217.12202	2.6
218.10873	1.3
219.11732	3.1
221.09734	1.9
221.13292	3.0
223.11172	3.9
225.12782	4.2
227.10872	1.9
229.10123	1.4
229.12285	3.6
230.10907	1.5
231.11723	3.2
231.13725	13.0
232.12375	1.6
233.13367	1.9
235.11195	1.3
235.14923	2.1
237.12775	2.4
239.10655	2.2
241.12207	8.5
243.11804	2.3
243.13901	2.9
244.12601	1.5
245.11539	3.1
245.15489	4.9
247.14851	2.6
249.09290	1.2
249.12738	2.4
249.16344	1.5
255.11559	3.1
256.12524	2.3
257.13449	3.2
258.13989	2.7
259.11002	1.7
259.13300	15.0
260.11905	1.4
261.12909	2.8
265.12488	1.4
267.11716	1.6
269.13318	1.6
270.14050	2.4
271.14740	1.5
272.11877	2.2
273.14880	1.3
274.13705	1.5
275.14374	1.8
275.17969	1.3
277.12085	1.4
283.11154	2.5
283.14679	1.4
284.15640	2.0
285.16318	2.7
287.14233	3.8
297.12723	3.3
298.13315	2.0
299.14398	1.8
299.17883	3.5
301.15903	3.8
303.17334	1.8
311.14331	1.9
312.15213	2.8
313.15930	3.9
315.13867	1.7
315.17487	4.4
317.15186	1.3
317.18781	3.0
327.17331	5.7
329.15509	2.1
331.20535	1.5
341.18860	2.0
343.16940	1.9
345.18549	3.8
357.18610	2.9
359.20041	5.9
361.17935	2.0
363.19705	1.6
369.18536	5.6
373.17905	4.7
375.19489	5.9
377.21039	9.0
387.19550	22.1
405.20645	25.4
423.21674	3.5
447.21683	4.8
465.22766	12.2
469.24487	1.3
482.22571	2.0
487.24875	1.8
505.25497	2.3
547.27405	2.3
565.27722	4.1
630.28235	1.9
647.31842	2.8
665.29022	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01674	0.8
55.01879	9.0
55.05517	56.6
57.03420	1.3
59.77895	1.1
67.05505	2.2
68.61059	1.0
68.65219	1.1
69.03417	4.0
69.07053	3.3
71.55555	1.1
73.14740	0.9
79.05498	6.9
80.72704	1.0
81.03438	7.2
81.07056	3.3
82.56895	1.0
83.04990	100.0
85.02895	1.3
85.61310	0.9
91.00995	1.0
91.05491	15.4
93.07068	6.6
95.04977	7.1
95.08617	3.2
97.06508	1.3
99.04443	1.4
103.05465	2.9
103.80711	1.0
105.03421	2.1
105.07037	11.3
107.04943	4.3
107.08575	4.5
109.06504	3.6
109.10139	1.6
115.05464	6.5
116.06224	2.2
117.07028	11.1
119.04897	1.4
119.08592	18.9
121.06516	3.8
121.10146	3.7
128.06224	4.4
129.07024	12.2
130.07776	1.8
130.36496	1.2
131.04936	4.3
131.08592	12.0
132.05678	1.2
133.06529	2.4
133.10153	10.4
135.08044	2.9
141.06995	3.1
142.07805	5.3
143.08563	12.8
145.06508	12.8
145.10159	10.7
146.07274	1.8
147.08060	37.7
147.09235	1.9
147.11662	3.6
149.09590	3.5
153.06953	2.5
154.07681	1.2
155.08588	5.7
156.09375	6.4
157.06548	1.5
157.10158	19.0
158.07251	2.3
159.08081	21.4
159.11678	5.0
161.09641	19.5
163.07535	7.3
163.11176	1.5
163.70256	1.0
165.06978	2.9
166.07809	1.7
167.08575	3.8
169.06487	1.1
169.10089	8.4
170.07306	1.3
170.10927	5.7
171.08083	7.5
171.11711	31.2
172.12367	1.0
173.06042	5.3
173.09653	13.8
173.13263	2.4
175.07616	9.2
175.11185	2.5
177.09093	1.7
178.07808	1.1
179.08604	3.6
180.09370	1.4
181.10124	3.9
182.10930	1.2
183.08076	3.2
183.11691	15.8
184.08855	2.6
184.18321	1.1
185.09645	11.5
185.13263	15.3
187.07535	4.1
187.11195	5.7
187.14851	1.1
189.09099	2.3
191.10721	2.9
193.10150	2.0
193.12149	1.3
194.10927	1.7
195.11745	7.0
197.09663	5.8
197.13229	5.2
198.10298	1.8
199.07635	1.4
199.11217	14.2
200.11903	3.4
201.09155	3.7
201.12794	3.3
203.06938	1.4
203.08769	1.6
203.10683	2.9
206.10995	1.6
207.11707	3.9
208.08762	1.3
208.12360	1.4
209.09579	1.7
209.13309	3.2
211.11211	3.0
213.09164	2.3
213.12747	17.3
215.10718	3.8
215.14284	2.1
217.08472	2.0
217.12216	3.2
220.12408	1.3
221.09598	1.2
221.13203	3.0
223.11195	4.3
225.09048	1.8
225.12718	2.4
227.10693	2.8
229.10233	1.7
229.12251	6.5
230.10947	1.5
231.10042	2.1
231.11777	2.0
231.13820	19.6
232.12537	1.2
233.09607	1.8
233.13268	2.7
235.11203	1.8
235.15036	1.4
237.12808	2.5
239.10686	2.6
241.12263	11.4
243.11690	1.9
243.13823	3.0
244.12570	1.5
245.09485	1.7
245.11543	2.9
245.15411	1.7
246.10446	1.7
246.14212	1.5
247.11180	1.9
247.14812	2.3
249.12817	1.7
249.16553	1.5
251.14426	1.7
255.11646	1.5
257.13428	2.5
258.14081	1.3
259.10931	1.7
259.13239	18.5
261.12665	3.9
263.10544	1.4
269.09634	1.0
269.13211	3.4
271.11087	2.2
272.11905	1.7
273.12766	2.6
274.13510	1.6
275.14352	3.4
276.14987	1.2
277.14502	1.3
279.13846	1.8
283.11063	1.6
283.14658	2.0
284.11880	1.9
285.12680	2.3
286.13388	1.9
287.14343	3.0
288.15125	1.2
289.12241	1.3
289.15991	1.8
295.17010	1.3
297.12766	4.6
298.13409	2.3
299.14313	3.7
300.15457	1.0
301.12436	1.1
301.15759	2.2
303.14005	1.3
303.17523	2.3
311.14194	1.9
312.15063	2.2
313.15869	3.8
315.17432	2.8
317.18924	4.4
327.17300	6.1
328.18140	2.0
329.15341	4.5
329.19043	3.1
331.20346	1.9
333.15079	3.1
334.15576	1.3
341.19067	4.0
343.16699	1.3
345.18625	5.7
347.16425	2.4
354.16025	2.2
357.18530	3.6
359.20090	8.0
361.21838	1.2
369.18539	8.6
375.19666	6.5
377.21075	9.7
387.19580	28.4
401.21066	1.3
405.20627	34.2
419.22159	1.9
423.21512	3.0
447.21680	6.2
465.22742	14.5
483.24017	1.3
487.24976	3.0
505.25555	2.2
547.26929	4.4
550.54205	1.1
565.28149	6.9
647.31873	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	665.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.2
55.01859	2.0
55.05511	59.5
57.07081	1.8
67.05493	5.7
67.93295	1.4
69.03420	3.3
70.30962	1.7
77.03902	1.7
79.05485	8.3
81.03431	1.9
81.07043	4.2
83.04984	100.0
90.55808	1.4
91.05485	19.9
91.88895	1.6
93.07059	9.8
95.04962	10.1
95.08590	7.2
98.21453	3.5
103.05477	24.3
103.09355	1.8
104.05775	1.8
105.03395	47.2
105.04472	2.6
105.07027	22.2
107.04966	3.2
107.08616	8.9
107.09201	1.6
109.06546	3.9
109.10120	2.1
115.05444	9.0
117.07048	12.9
119.04920	2.1
119.08592	23.6
121.06485	3.1
121.10136	5.8
128.06209	6.6
129.07031	8.4
130.07800	1.7
131.04933	47.7
131.08577	14.8
132.05228	3.8
133.05618	1.7
133.06502	12.0
133.10132	15.7
135.08058	5.4
141.06984	5.1
142.07767	7.4
143.08565	14.8
145.06479	13.4
145.10109	9.3
147.08049	13.3
147.11610	2.7
149.05969	6.1
149.07109	1.5
149.09654	8.7
151.07501	4.3
153.06932	2.3
154.07771	4.3
155.08571	9.3
156.09360	9.9
157.10152	20.2
159.08070	9.2
159.11676	8.4
161.05984	6.2
161.09587	10.0
163.07516	8.7
163.11197	3.4
165.07062	3.3
165.09111	2.9
166.07779	2.2
167.08557	4.7
169.06453	2.8
169.10167	14.7
170.10907	5.4
171.08037	9.0
171.11702	33.7
173.09601	10.0
173.13258	4.8
175.07698	3.3
177.05408	1.8
177.09096	2.9
179.07039	3.2
179.08566	4.2
180.09369	2.3
181.10106	6.8
182.10857	2.7
183.08104	3.8
183.11685	27.1
184.08861	1.9
184.12445	3.1
185.09579	10.5
185.13263	22.7
187.07584	2.8
187.11206	4.0
189.05478	3.5
191.07092	3.1
193.10109	5.5
194.10985	2.4
195.08020	2.5
195.11696	10.7
196.08864	1.8
197.09601	6.8
197.13269	13.6
198.10332	2.5
199.11165	13.7
200.11951	2.9
201.09131	3.6
201.12727	3.8
205.12271	2.2
206.10838	3.7
207.11661	7.0
209.09570	4.4
209.13240	5.0
211.11165	5.1
213.09111	1.9
213.12756	23.6
215.10570	3.2
215.14360	2.5
216.09261	3.0
217.10283	2.2
217.12204	3.1
218.10806	2.1
219.11688	4.3
220.12523	4.2
221.09592	3.4
221.13197	5.4
222.13797	1.8
223.11201	5.6
223.14642	1.8
225.09172	2.4
225.12772	3.6
227.10548	2.1
229.10190	3.5
229.12245	5.4
230.10921	2.5
231.11696	4.3
231.13878	4.5
232.12453	2.0
233.13272	3.8
233.15349	2.1
235.11176	2.0
235.14815	2.8
237.12761	3.7
239.10632	3.2
241.12225	5.0
243.11871	3.6
243.13879	8.6
244.12439	3.7
245.13376	3.0
245.15419	14.3
246.13960	2.6
247.11150	3.6
247.14969	3.5
249.12654	3.4
249.16391	2.3
255.11630	2.8
255.13976	3.7
256.12506	2.9
257.11487	2.2
258.13980	3.3
259.10971	2.1
259.13110	2.3
259.15189	2.6
260.11877	2.8
261.12750	2.1
261.16330	4.8
262.13504	3.1
263.14279	3.6
267.11526	2.0
268.12338	1.8
269.13239	5.4
270.14139	3.8
271.14886	4.1
272.11771	2.1
272.15762	2.0
273.12378	2.7
273.14706	8.4
275.14209	3.3
275.17923	2.1
277.15811	2.4
279.14008	1.7
283.14697	4.5
284.12158	2.4
284.15472	2.7
285.12912	3.0
285.16321	6.3
287.14279	5.8
289.12192	1.8
289.15762	2.8
297.12741	3.3
298.13553	2.9
299.14124	3.7
299.17612	2.8
301.15823	4.8
303.14172	3.8
303.17386	6.4
304.17944	2.1
312.15152	2.8
313.15817	4.4
315.17404	5.6
317.15567	2.0
317.19016	4.4
319.17001	3.8
321.18451	2.8
327.17401	4.2
329.15140	4.0
331.16919	4.9
333.18008	2.3
335.20193	1.9
343.16864	5.1
345.14954	3.2
345.18469	10.3
347.16364	6.4
347.20081	2.5
349.17966	3.4
354.16074	1.9
355.16568	2.8
357.18503	5.1
359.20197	8.4
361.17578	2.9
363.19412	3.8
369.18732	10.7
373.18097	8.7
375.19568	5.8
377.21143	9.4
387.19534	31.9
391.18954	5.0
393.20450	2.6
395.22067	2.8
405.20630	32.8
407.18991	1.8
419.18158	1.9
421.20129	2.2
423.21732	9.4
433.20151	2.6
439.20856	3.3
447.21487	4.0
451.21082	2.0
465.22604	13.4
469.22684	2.1
483.23630	4.3
499.23199	2.4
533.25519	2.1
547.26849	2.2
565.27649	2.8
665.31158	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	665.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.2
55.01859	2.0
55.05511	59.5
57.07081	1.8
67.05493	5.7
67.93295	1.4
69.03420	3.3
70.30962	1.7
77.03902	1.7
79.05485	8.3
81.03431	1.9
81.07043	4.2
83.04984	100.0
90.55808	1.4
91.05485	19.9
91.88895	1.6
93.07059	9.8
95.04962	10.1
95.08590	7.2
98.21453	3.5
103.05477	24.3
103.09355	1.8
104.05775	1.8
105.03395	47.2
105.04472	2.6
105.07027	22.2
107.04966	3.2
107.08616	8.9
107.09201	1.6
109.06546	3.9
109.10120	2.1
115.05444	9.0
117.07048	12.9
119.04920	2.1
119.08592	23.6
121.06485	3.1
121.10136	5.8
128.06209	6.6
129.07031	8.4
130.07800	1.7
131.04933	47.7
131.08577	14.8
132.05228	3.8
133.05618	1.7
133.06502	12.0
133.10132	15.7
135.08058	5.4
141.06984	5.1
142.07767	7.4
143.08565	14.8
145.06479	13.4
145.10109	9.3
147.08049	13.3
147.11610	2.7
149.05969	6.1
149.07109	1.5
149.09654	8.7
151.07501	4.3
153.06932	2.3
154.07771	4.3
155.08571	9.3
156.09360	9.9
157.10152	20.2
159.08070	9.2
159.11676	8.4
161.05984	6.2
161.09587	10.0
163.07516	8.7
163.11197	3.4
165.07062	3.3
165.09111	2.9
166.07779	2.2
167.08557	4.7
169.06453	2.8
169.10167	14.7
170.10907	5.4
171.08037	9.0
171.11702	33.7
173.09601	10.0
173.13258	4.8
175.07698	3.3
177.05408	1.8
177.09096	2.9
179.07039	3.2
179.08566	4.2
180.09369	2.3
181.10106	6.8
182.10857	2.7
183.08104	3.8
183.11685	27.1
184.08861	1.9
184.12445	3.1
185.09579	10.5
185.13263	22.7
187.07584	2.8
187.11206	4.0
189.05478	3.5
191.07092	3.1
193.10109	5.5
194.10985	2.4
195.08020	2.5
195.11696	10.7
196.08864	1.8
197.09601	6.8
197.13269	13.6
198.10332	2.5
199.11165	13.7
200.11951	2.9
201.09131	3.6
201.12727	3.8
205.12271	2.2
206.10838	3.7
207.11661	7.0
209.09570	4.4
209.13240	5.0
211.11165	5.1
213.09111	1.9
213.12756	23.6
215.10570	3.2
215.14360	2.5
216.09261	3.0
217.10283	2.2
217.12204	3.1
218.10806	2.1
219.11688	4.3
220.12523	4.2
221.09592	3.4
221.13197	5.4
222.13797	1.8
223.11201	5.6
223.14642	1.8
225.09172	2.4
225.12772	3.6
227.10548	2.1
229.10190	3.5
229.12245	5.4
230.10921	2.5
231.11696	4.3
231.13878	4.5
232.12453	2.0
233.13272	3.8
233.15349	2.1
235.11176	2.0
235.14815	2.8
237.12761	3.7
239.10632	3.2
241.12225	5.0
243.11871	3.6
243.13879	8.6
244.12439	3.7
245.13376	3.0
245.15419	14.3
246.13960	2.6
247.11150	3.6
247.14969	3.5
249.12654	3.4
249.16391	2.3
255.11630	2.8
255.13976	3.7
256.12506	2.9
257.11487	2.2
258.13980	3.3
259.10971	2.1
259.13110	2.3
259.15189	2.6
260.11877	2.8
261.12750	2.1
261.16330	4.8
262.13504	3.1
263.14279	3.6
267.11526	2.0
268.12338	1.8
269.13239	5.4
270.14139	3.8
271.14886	4.1
272.11771	2.1
272.15762	2.0
273.12378	2.7
273.14706	8.4
275.14209	3.3
275.17923	2.1
277.15811	2.4
279.14008	1.7
283.14697	4.5
284.12158	2.4
284.15472	2.7
285.12912	3.0
285.16321	6.3
287.14279	5.8
289.12192	1.8
289.15762	2.8
297.12741	3.3
298.13553	2.9
299.14124	3.7
299.17612	2.8
301.15823	4.8
303.14172	3.8
303.17386	6.4
304.17944	2.1
312.15152	2.8
313.15817	4.4
315.17404	5.6
317.15567	2.0
317.19016	4.4
319.17001	3.8
321.18451	2.8
327.17401	4.2
329.15140	4.0
331.16919	4.9
333.18008	2.3
335.20193	1.9
343.16864	5.1
345.14954	3.2
345.18469	10.3
347.16364	6.4
347.20081	2.5
349.17966	3.4
354.16074	1.9
355.16568	2.8
357.18503	5.1
359.20197	8.4
361.17578	2.9
363.19412	3.8
369.18732	10.7
373.18097	8.7
375.19568	5.8
377.21143	9.4
387.19534	31.9
391.18954	5.0
393.20450	2.6
395.22067	2.8
405.20630	32.8
407.18991	1.8
419.18158	1.9
421.20129	2.2
423.21732	9.4
433.20151	2.6
439.20856	3.3
447.21487	4.0
451.21082	2.0
465.22604	13.4
469.22684	2.1
483.23630	4.3
499.23199	2.4
533.25519	2.1
547.26849	2.2
565.27649	2.8
665.31158	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	665.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01877	7.0
55.05514	63.6
59.84968	0.9
67.05501	2.4
69.03427	1.9
69.07056	2.4
71.04977	0.8
79.05488	6.6
81.03422	5.6
81.07059	2.3
83.04984	100.0
90.44038	1.0
91.04959	1.6
91.05482	16.7
93.07033	5.8
95.04971	6.7
95.08582	1.4
97.06503	1.1
103.05444	2.6
105.07031	10.5
107.04955	4.2
107.08601	3.9
109.06485	1.4
115.05459	6.0
116.06270	1.8
117.07011	8.6
117.65031	0.8
119.04951	1.1
119.08587	14.2
121.06496	2.5
121.10133	1.8
123.08080	1.5
128.06233	5.8
129.07016	11.5
130.07759	2.2
131.04967	1.5
131.08582	11.5
133.06490	2.3
133.10127	11.1
135.08028	3.4
141.06969	2.5
142.07779	6.5
143.08560	13.4
145.06487	12.8
145.10141	9.0
146.07237	1.4
147.08057	42.0
147.09227	2.3
147.11775	1.0
149.09624	3.1
153.07022	1.1
154.07776	1.6
155.08559	5.7
156.09373	7.4
157.06531	1.3
157.10143	17.4
158.07367	1.8
159.06821	1.6
159.08057	19.3
159.11630	2.7
161.09630	23.3
163.07520	6.9
163.11133	1.3
165.06967	2.8
166.07770	1.3
167.08594	3.0
168.09357	2.5
169.06425	1.1
169.10101	8.6
170.07175	1.6
170.10976	5.2
171.08099	6.8
171.11690	30.6
172.08923	0.9
172.12288	1.1
173.05981	5.5
173.09622	14.7
173.13292	1.1
175.07568	7.9
175.11134	3.3
177.09068	1.7
179.08562	3.6
180.09349	1.7
181.10086	3.8
183.08124	2.3
183.11711	16.8
184.08852	2.4
185.09642	10.8
185.13249	16.9
187.07614	4.4
187.11192	6.5
187.14777	1.6
189.09113	2.4
191.10663	3.0
192.09322	1.3
193.10167	3.1
195.07997	1.9
195.11728	6.0
196.12448	1.4
197.09616	4.5
197.13249	4.7
198.10423	3.1
199.11183	17.3
200.11980	3.6
201.09081	5.3
201.12767	2.6
203.10570	2.3
205.10139	2.0
206.10837	1.5
207.11665	3.2
208.12434	1.5
209.09656	1.7
209.13289	2.9
210.10394	1.0
211.11188	3.9
213.09311	1.6
213.12733	17.1
215.10672	3.5
215.14230	1.4
216.09293	1.1
217.08571	2.5
217.10315	2.1
217.12225	2.9
219.11848	1.6
221.13287	2.8
223.11160	4.7
225.09074	1.3
225.12851	1.8
227.10664	2.1
229.10097	1.9
229.12161	7.2
230.10931	1.6
231.11761	2.3
231.13794	21.3
232.12289	1.1
233.13287	1.8
234.14056	1.7
235.11134	2.4
235.14900	1.6
237.12718	3.7
239.10701	3.4
241.10085	1.5
241.12251	13.3
242.10878	1.0
243.11696	1.9
243.13887	2.2
244.12523	1.8
245.11539	5.1
247.14899	1.3
249.12698	1.9
249.16563	1.1
251.14317	1.2
255.13911	1.3
256.12442	1.1
257.09464	1.2
257.13422	2.3
258.10492	1.2
258.14047	1.1
259.10938	2.1
259.13239	17.5
260.11951	1.5
261.12668	2.8
263.14264	1.3
265.15851	1.4
269.13202	2.1
270.10382	1.4
271.11179	2.2
272.11862	2.2
273.12677	2.5
273.16281	1.7
274.13559	1.2
275.14221	3.2
277.15979	1.8
279.13855	2.2
283.11017	1.5
283.14697	2.1
284.12067	1.0
284.15634	1.2
285.12766	2.2
285.15982	1.1
286.13504	1.9
287.14224	3.3
289.12460	1.7
289.15857	2.1
291.13620	1.5
291.17230	1.2
296.12054	1.3
297.12656	2.8
299.14264	3.2
299.17798	1.8
300.14972	1.0
301.12567	1.2
301.15765	4.3
303.13837	1.6
303.17346	2.1
305.15332	1.3
311.14337	2.4
312.15128	2.1
313.12363	1.3
313.15900	3.2
314.16461	1.2
315.17349	2.7
317.15598	1.6
317.18967	5.0
319.16669	1.1
325.16156	1.0
327.13831	1.6
327.17392	7.3
328.18317	2.5
329.15256	2.7
329.18918	2.0
339.13663	1.6
341.19107	4.2
343.20581	1.6
345.14786	1.2
345.18649	4.3
347.16269	1.7
357.18460	3.1
359.20047	6.4
369.18539	8.7
372.17178	1.6
375.19650	6.0
377.21234	6.7
387.19562	33.3
397.20285	1.6
405.20621	33.7
423.21576	3.5
429.20621	1.1
447.21637	5.9
465.22781	13.6
469.23859	1.1
487.24713	1.9
505.25830	1.7
547.26978	4.6
565.28070	7.6
647.32233	5.4
665.33441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
55.01883	9.0
55.05516	54.2
65.03935	1.0
67.05506	3.2
69.03434	7.4
69.07068	2.6
79.05497	5.2
81.03432	5.1
81.07062	2.8
83.04988	100.0
86.09995	1.0
91.05489	20.9
93.07051	5.9
95.04981	6.3
95.08585	2.7
97.06548	1.2
103.05454	2.8
105.07038	16.1
107.04966	4.2
107.08604	4.7
109.06515	2.9
109.10145	1.6
115.05464	6.9
116.06226	2.1
117.07020	13.2
119.08592	21.2
121.06531	3.2
121.10158	2.2
128.06248	6.4
129.07016	16.5
130.07773	2.3
131.04968	2.3
131.08588	14.3
133.06532	1.5
133.10156	12.6
135.08063	2.1
141.06975	4.2
142.07794	9.1
143.08571	14.3
144.05699	1.5
145.06476	14.0
145.10124	13.3
146.07243	1.6
147.08061	45.8
147.11678	1.3
149.09624	4.1
150.00922	1.0
152.06184	1.4
153.06967	1.3
155.05972	1.3
155.08554	6.6
156.09338	9.9
157.06535	2.4
157.10150	22.5
158.07281	2.8
159.08072	30.0
159.11583	2.3
161.09642	32.4
163.07518	5.7
163.11223	2.8
165.07025	3.6
166.07744	1.7
167.08568	2.7
168.09300	2.2
169.10133	11.1
170.07303	1.4
170.10938	7.3
171.08087	11.8
171.11703	38.0
172.08871	1.2
173.05972	4.2
173.09648	18.1
173.13304	1.7
175.07567	10.6
175.11160	2.3
176.32994	0.9
179.08582	2.7
180.09375	2.8
181.10126	5.3
182.07303	1.2
182.10875	1.4
183.08064	3.5
183.11699	18.4
184.08864	2.6
185.09616	13.1
185.13269	26.0
187.07523	1.8
187.11201	5.9
189.09158	2.8
191.10661	1.8
193.10150	4.2
194.11024	1.4
195.08018	1.8
195.11745	8.1
197.09619	6.8
197.13309	5.8
198.10420	3.5
199.07629	1.2
199.11203	17.8
201.09070	2.7
201.12839	2.1
203.10748	1.6
205.10316	1.0
205.12239	2.4
206.10918	2.6
207.11693	4.4
209.09634	2.8
209.13269	3.3
211.11215	5.4
213.09143	3.7
213.12752	29.8
215.08722	1.5
215.10678	4.1
216.09431	1.5
217.10246	2.1
217.12202	2.2
219.11656	3.2
220.12534	2.1
221.09604	1.3
221.13304	3.6
223.11238	5.6
225.09151	1.3
225.12778	2.4
227.10782	2.4
229.10129	3.4
229.12268	5.2
230.10980	1.3
231.09990	2.0
231.13918	3.1
232.12468	1.1
233.09653	2.2
233.13351	2.6
235.11226	1.2
235.14812	1.7
237.12720	2.4
239.10672	3.5
241.12296	6.8
243.11639	4.3
243.13905	5.0
244.12483	2.3
245.09673	1.3
245.13298	2.5
245.15421	22.6
246.10381	2.4
246.14014	1.8
247.07767	0.9
247.11209	2.6
247.14891	2.3
249.12808	3.0
249.16393	1.0
251.14423	2.0
253.10043	1.4
253.12408	1.7
255.11447	1.4
255.13809	3.9
256.12442	1.9
257.13431	2.3
258.14087	2.5
259.11014	2.4
259.13098	7.5
260.11902	1.2
261.12759	4.2
262.13318	1.4
263.14203	2.0
265.12466	1.3
267.11612	2.0
268.12341	1.8
269.13275	2.9
270.13959	2.1
271.11014	2.3
271.15167	1.3
272.11942	2.1
273.12537	2.1
273.14890	19.2
275.14227	3.5
277.15906	1.8
282.10342	1.3
283.11176	2.9
283.14655	3.0
284.15570	1.7
285.12659	3.9
286.13525	2.7
287.14355	4.6
288.15048	1.4
289.12357	1.9
289.15848	2.8
296.11942	1.7
297.12766	7.4
297.15814	1.6
298.13593	2.8
299.10825	1.7
299.14310	5.4
299.17648	1.5
300.15027	2.7
301.15930	5.7
303.17511	2.1
311.14346	4.0
312.14972	4.6
313.12350	2.0
313.15897	5.8
313.19263	1.3
314.13040	1.1
314.16495	2.4
315.17377	5.0
317.15729	1.2
317.18915	5.4
325.12314	1.6
325.15793	1.5
326.16653	3.0
327.13907	1.7
327.17386	10.3
328.18152	2.3
329.15366	7.0
329.19153	2.9
331.20599	2.3
339.13702	2.3
341.15106	1.8
341.18915	11.4
342.16144	1.3
343.16968	2.0
345.18506	8.8
354.16257	1.9
357.18546	7.8
359.20160	9.6
361.17929	3.9
369.18555	11.6
372.17197	1.3
377.21069	1.1
387.14795	0.8
387.19525	17.5
389.21078	7.9
391.22647	7.1
401.21124	20.4
405.20428	2.2
411.21643	1.3
419.22189	31.2
447.21634	2.8
461.23163	2.2
469.23688	2.1
473.22134	1.0
479.24402	10.1
501.26468	1.9
533.25415	1.7
547.27075	1.7
551.26367	1.6
565.27960	6.9
633.30280	2.8
647.31732	8.0
665.33350	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2956
Annotation	Taxinine B
Peak:m/z	Relative Intensity
52.42550	3.1
53.03934	11.2
53.23656	3.3
55.05521	25.2
59.79845	3.1
65.17888	3.0
67.05489	6.0
69.03413	5.5
69.07050	6.2
73.39635	3.1
75.29683	3.2
79.05486	10.6
81.07069	7.2
83.04994	32.4
84.09220	2.9
91.05495	30.2
93.07062	20.3
95.04978	13.1
95.08613	4.5
105.03396	100.0
105.04491	5.7
105.07021	29.4
107.08583	10.3
109.06524	5.5
115.05459	12.1
117.07026	24.1
119.08568	42.5
121.10137	7.1
128.06223	9.4
129.06993	11.5
131.04970	7.4
131.08562	20.6
133.06464	8.1
133.10194	17.7
135.08113	7.5
142.07762	9.2
143.08604	15.3
145.06502	21.3
145.10112	13.2
147.08043	23.3
149.09639	9.4
151.07634	3.7
155.08485	8.0
156.09354	11.2
157.10115	24.1
158.07152	3.5
159.08073	13.7
159.11690	5.6
161.09645	11.3
163.07584	13.6
165.06996	8.0
165.09119	3.8
166.07790	4.3
167.08534	12.2
169.10103	12.2
170.10858	5.3
171.11722	19.5
173.06006	9.7
173.09615	12.0
173.13290	6.7
177.09077	13.8
178.07761	5.7
179.08546	7.0
181.10101	11.9
182.10870	5.6
183.08051	4.2
183.11736	17.9
184.08867	7.5
185.09576	11.7
185.13219	6.4
187.07564	6.6
187.11234	7.8
193.10123	9.2
194.11073	3.5
195.08138	4.3
195.11717	14.8
196.09018	4.8
197.09648	8.2
197.13298	12.0
199.11150	28.4
201.09142	6.9
201.12671	7.7
203.08614	4.0
205.12158	3.6
207.08128	4.7
207.11670	8.0
209.09599	7.8
209.13283	6.3
211.11218	17.3
213.09303	3.2
213.12744	22.9
215.10788	4.2
217.10129	8.9
219.08047	4.3
219.11673	9.0
220.12381	4.1
221.09753	5.0
221.13242	7.7
223.11163	8.1
225.09164	4.4
225.12764	7.9
227.10725	5.4
229.10147	6.8
229.12286	9.5
230.10968	6.9
231.11789	5.7
232.12471	4.1
233.09567	4.2
233.13271	5.8
235.11267	5.1
236.12094	3.7
237.12674	4.4
239.10741	9.6
241.09926	4.5
242.10873	4.2
243.11714	9.8
245.13293	8.7
247.14925	9.4
248.37839	3.4
249.12686	6.8
249.16467	3.3
251.14240	9.1
252.14844	3.2
255.11667	5.7
257.13217	10.9
258.13977	4.1
259.11041	5.0
259.15143	3.9
261.12769	5.1
263.14413	7.1
265.15744	4.2
268.12253	5.4
269.13251	10.0
270.14032	5.4
271.14941	6.3
273.16565	3.8
275.14355	5.3
277.15906	5.4
281.13217	8.2
282.14026	3.9
283.14847	13.7
284.15674	5.5
285.12717	5.0
285.16196	5.0
286.13336	5.9
287.14371	5.6
287.17734	3.4
289.15918	4.3
295.14713	6.9
298.17239	5.0
299.14270	7.0
301.15887	11.1
303.13733	5.0
311.14240	7.0
313.15961	4.0
325.12180	6.0
326.16547	6.5
327.13940	4.6
329.15326	11.6
331.17151	5.9
341.19028	10.2
343.16638	4.4
345.14758	7.0
345.18692	5.4
347.16391	14.8
357.14633	4.5
357.18521	10.7
359.20117	24.5
361.17758	6.3
363.19537	5.2
369.18457	25.6
375.19424	11.5
377.21124	10.2
387.19543	98.7
405.20596	73.1
406.20731	4.1
423.21686	8.5
447.21536	15.0
465.22607	26.0
483.23605	5.2
507.23633	4.8
596.30676	4.1
598.12347	3.6
629.27966	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	665.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.2
51.02376	1.4
53.03953	6.1
55.01862	3.5
55.05507	5.9
59.04982	1.7
65.03925	1.8
66.60035	1.2
67.05505	5.0
69.03439	2.5
70.08284	1.3
71.19887	2.0
77.03935	1.5
79.05494	9.2
81.03413	3.3
81.07057	5.1
82.47906	1.0
83.01372	1.0
83.04982	8.8
85.06507	1.2
91.05482	16.2
93.07052	7.5
95.01273	1.2
95.04968	14.6
95.08620	2.4
97.06548	2.0
99.04428	2.1
103.05476	46.3
105.02716	1.9
105.03399	27.1
105.04516	2.6
105.07036	19.8
106.03748	1.2
107.04942	3.2
107.08592	5.6
109.06536	7.1
111.04465	4.2
115.05472	6.7
117.07034	18.1
119.04960	5.4
119.08585	16.6
121.02850	1.4
121.06496	5.6
121.10145	1.9
123.04403	2.3
123.08086	2.5
125.02354	1.1
125.06012	2.4
128.06239	5.9
129.07022	6.7
131.04938	100.0
131.08568	10.8
133.06483	13.7
133.10132	8.8
135.04424	1.6
135.08064	5.9
137.05956	3.2
141.06992	3.1
142.07796	3.7
143.08574	13.2
143.64235	1.2
144.09322	2.3
145.06508	13.2
145.10136	9.2
147.04399	1.1
147.08038	7.5
147.11635	1.5
149.05984	3.9
149.09627	5.9
151.07559	1.9
153.05527	1.3
153.06906	1.7
154.07787	2.2
155.08557	7.9
156.09386	6.4
157.06508	3.5
157.10123	18.9
158.07295	2.3
158.10979	1.5
159.04433	2.5
159.08076	13.0
159.11707	14.9
160.05171	2.5
161.05989	16.0
161.09628	6.2
162.06764	3.8
163.07579	11.4
165.05591	1.2
165.07022	3.1
166.07843	1.3
167.08566	3.2
169.06499	2.5
169.10129	14.2
170.10855	6.7
171.08063	6.7
171.11722	15.0
172.08852	2.8
173.06030	3.7
173.09653	11.5
173.13272	3.0
175.07568	12.4
175.11168	2.4
176.08223	2.7
177.05562	1.7
177.07619	2.0
177.09126	28.0
178.06259	2.8
179.07027	2.2
179.08556	3.5
179.10625	1.1
180.09383	1.8
181.06564	1.3
181.10132	4.0
182.07301	1.6
182.10973	1.1
183.08090	4.2
183.11700	20.6
184.08852	1.2
185.05986	2.0
185.09659	8.9
185.13286	10.8
186.10326	2.0
186.13545	1.3
187.07518	5.9
187.11249	7.5
189.05495	2.6
189.09129	12.1
191.07037	3.7
191.08643	1.3
191.10704	5.3
192.09303	2.1
193.08600	7.3
193.10165	5.0
195.08051	1.9
195.11688	6.2
196.08937	1.7
196.12573	1.5
197.09637	9.9
197.13223	3.6
198.10370	1.6
199.07558	4.7
199.11147	9.6
200.08386	1.1
201.05492	1.3
201.09087	4.6
201.12769	7.9
203.06987	2.5
203.10684	4.1
204.11580	1.3
205.08525	6.9
205.12178	1.5
206.10933	3.0
207.09990	2.0
207.11845	5.9
208.12482	4.2
209.09605	3.7
209.13298	2.4
210.10472	2.1
211.07532	2.4
211.11157	6.7
213.09180	6.1
213.12759	9.2
215.06985	2.1
215.08838	1.3
215.10692	3.4
217.08577	3.3
217.10367	2.1
217.12328	3.1
218.10944	3.0
219.09906	1.4
219.11684	3.3
219.13666	1.6
220.12451	2.2
221.09712	1.9
221.13304	6.2
222.14116	1.3
223.11194	4.2
223.14824	5.1
225.09099	4.6
225.12817	1.4
225.16420	1.3
227.10600	2.7
229.08510	2.1
229.12302	5.4
230.10867	1.7
231.09888	2.3
231.11777	3.6
231.13780	1.8
232.12495	1.8
233.09612	1.7
233.13226	3.3
233.15350	2.4
235.11331	2.5
235.14900	2.7
236.12036	2.1
237.12805	2.7
237.16455	3.7
239.10699	1.7
239.14400	1.4
241.08562	3.2
241.12296	2.7
242.10898	1.5
243.10220	3.7
243.13864	2.8
244.12486	1.4
245.11458	2.1
245.13551	2.6
245.15433	1.6
246.13997	1.7
247.14925	2.5
249.12863	2.4
249.16251	1.5
251.14339	6.4
253.12294	2.1
254.10840	1.3
257.08057	9.3
257.11368	1.2
258.14035	1.5
259.09650	4.8
259.13260	1.5
261.12683	2.0
261.14835	1.6
263.14301	3.0
265.15826	2.5
267.13885	1.8
269.13156	1.9
270.13901	2.2
271.11102	1.5
271.14655	3.7
273.16562	1.4
275.14322	1.8
277.12122	2.2
279.13882	1.5
279.17456	2.6
284.15564	1.8
285.12808	2.1
285.16095	2.3
287.14157	2.2
289.14828	1.9
291.16745	1.4
293.15347	2.1
297.12744	2.2
299.14227	2.0
299.17709	1.6
301.11057	1.6
301.15857	2.3
303.12399	4.4
303.17432	2.5
305.15356	1.7
307.16962	2.2
312.15027	1.7
313.15701	1.5
315.13669	1.8
315.17130	1.9
317.15210	2.9
318.15820	1.4
319.12094	1.6
319.16721	2.5
327.17288	2.5
329.15204	3.3
331.16702	5.3
333.14877	2.2
333.18481	1.5
335.16486	2.8
343.16785	2.6
345.18564	6.1
347.16193	4.3
347.20062	1.3
355.16843	2.1
357.14670	1.7
359.16125	1.9
359.20218	1.3
361.17905	4.3
363.19568	2.8
365.17493	3.6
371.16608	2.1
373.18100	5.0
379.19043	2.3
387.19305	3.1
389.17471	4.6
391.19101	2.9
393.16730	1.6
401.17606	2.2
403.19305	2.2
405.20535	5.0
407.18671	4.2
417.16876	1.7
419.17926	2.2
419.22708	2.2
421.20425	2.3
423.21609	2.8
425.19510	2.3
433.19943	3.2
435.17694	1.9
437.23392	2.6
439.21436	2.4
447.21777	1.3
449.15512	2.1
451.21631	2.7
457.21872	1.9
463.17517	4.9
465.22714	7.6
467.21014	1.8
481.18756	4.8
483.23849	8.3
485.22028	1.6
499.18942	8.5
543.26111	1.9
605.27380	7.2
611.22601	2.1
629.23590	2.6
633.27112	5.5
647.24524	5.2
665.29529	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30014	0.5
53.03956	1.1
55.01868	2.0
55.05517	8.0
57.03440	0.7
59.04996	0.9
60.08183	0.6
67.05510	6.5
69.03442	3.6
69.07077	2.0
69.20845	4.5
69.21262	1.0
71.05010	0.7
79.05502	4.1
81.03412	3.5
81.07060	4.4
83.04985	12.3
83.08656	0.8
85.02883	0.6
91.05490	5.5
93.07041	4.7
95.04979	2.4
95.08628	2.4
97.02880	0.9
97.06539	1.9
97.10214	0.7
98.21474	0.9
103.05464	4.3
105.03402	1.9
105.07040	5.8
107.05004	1.4
107.08613	2.9
109.02890	1.2
109.06540	1.3
109.10165	4.0
111.04490	0.6
115.05487	1.7
117.07007	2.7
119.08591	7.6
121.06564	1.5
121.10152	1.4
123.08015	0.8
125.05949	0.7
125.09673	0.6
127.03911	0.7
128.06247	1.2
129.07016	2.6
131.04950	8.4
131.08575	3.9
133.06546	1.2
133.10132	4.0
135.08116	1.4
135.11746	0.7
137.09639	0.7
141.07011	0.7
142.07791	1.7
143.08557	3.5
145.06520	2.5
145.10136	3.1
147.08057	6.9
147.11725	1.6
149.09639	2.4
151.07571	0.7
155.08676	1.4
156.09413	1.7
157.06483	0.6
157.10153	4.4
158.07248	0.8
159.08031	3.9
159.11739	1.8
161.09644	5.5
163.07567	1.2
163.11165	0.8
165.06996	0.8
166.55162	0.5
167.08551	1.2
169.10179	2.0
170.10870	0.8
171.08098	2.2
171.11713	6.5
173.06044	1.0
173.09636	2.1
173.13181	0.9
175.07603	1.8
175.11182	0.7
177.05482	0.9
177.09172	0.9
179.08653	0.9
181.10211	0.8
183.08101	1.0
183.11705	3.4
184.08812	0.8
185.09666	3.3
185.13242	3.2
187.11237	1.7
189.09109	0.5
192.09416	0.6
195.08058	0.6
195.11774	1.7
197.09650	1.7
197.13306	1.4
199.11243	3.2
201.07387	0.7
201.09184	1.0
201.12810	1.3
207.11723	1.5
209.09627	0.9
209.13303	1.1
211.11209	1.3
213.12776	5.7
217.12166	0.8
220.12474	0.8
221.13213	0.7
223.11172	0.8
227.10701	0.6
229.12318	1.1
229.14395	1.1
231.11954	0.7
231.13889	1.9
239.10760	0.7
241.12338	1.8
247.11301	0.6
247.14745	0.9
259.13431	1.8
260.12018	0.7
273.15143	1.1
275.20154	2.8
276.15192	0.7
287.14374	0.8
289.12125	0.6
299.14331	0.8
301.15726	0.7
305.15286	0.6
311.14352	0.9
313.15872	1.0
315.17310	0.9
327.13889	0.6
327.17465	1.3
329.15659	0.6
332.42542	0.6
333.18494	0.7
341.18942	1.0
345.18515	1.1
349.23926	1.6
359.20193	1.6
373.19113	1.1
375.19370	1.0
377.21143	0.8
387.19745	3.3
405.20605	2.9
417.18753	0.9
447.21536	1.1
459.21545	2.2
465.22638	1.6
503.33820	2.1
519.23090	1.2
547.26978	1.1
579.25446	2.8
587.26117	0.8
605.27216	1.9
647.28442	2.3
647.38049	1.3
665.29327	100.0
666.29663	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	665.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
54.28979	0.5
55.01867	1.3
55.05503	1.3
56.96582	0.6
64.83769	0.5
67.05521	1.0
69.03433	1.0
71.55212	0.6
74.09742	0.6
79.05504	1.5
81.03406	1.5
81.07056	1.0
82.33607	0.6
83.04995	2.6
91.05492	2.3
93.07053	1.4
95.04959	2.0
95.08620	1.7
97.02861	0.7
98.93887	0.7
103.05470	3.6
103.30014	0.6
105.03388	1.2
105.07043	2.6
107.04976	0.9
107.08574	0.8
109.06458	0.8
109.10225	0.6
115.05480	0.6
117.07051	1.2
119.08595	2.7
123.49783	0.6
128.06239	0.6
129.07025	2.0
131.00121	0.7
131.04933	8.3
131.08604	2.8
132.05278	2.1
133.10156	1.7
135.08014	1.1
141.07011	0.6
143.08612	1.8
145.06494	1.6
145.10156	1.9
147.03128	1.0
147.08083	5.0
148.08438	0.8
149.01303	0.8
149.05916	0.6
149.09639	1.5
156.03729	0.9
156.09444	0.8
157.10101	2.7
159.08073	3.6
159.11736	1.7
160.08447	1.0
160.12064	0.6
161.09683	2.8
162.09984	0.6
163.07584	0.9
165.06999	0.6
167.08482	0.6
169.10146	1.5
169.25388	0.5
171.08099	1.4
171.11716	2.4
173.09677	1.8
173.13365	1.0
175.07619	1.3
181.10117	0.8
183.11646	1.4
185.09697	0.7
185.13298	2.4
187.11237	1.0
195.11768	1.0
197.09546	0.6
197.13327	0.6
199.11237	1.8
209.13075	0.6
211.11131	1.0
211.38867	0.5
213.12758	5.1
220.30608	0.6
224.11601	0.6
228.05844	0.6
229.12207	1.1
231.10008	0.6
231.13876	1.1
241.12143	0.8
245.15555	0.9
259.13199	0.9
273.14859	3.3
291.16135	0.9
300.14981	0.5
313.84937	0.6
315.16446	0.8
317.18643	1.1
331.15146	1.3
358.16602	1.6
358.66785	0.8
359.14743	2.7
375.17728	3.0
407.22296	1.2
408.22620	2.4
418.20703	0.7
426.23575	1.2
435.21634	1.0
436.22119	2.4
454.22919	0.7
459.21506	1.7
519.23761	2.3
584.27472	0.8
605.27258	100.0
606.27789	3.0
656.31329	0.8
665.38306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23814	0.8
53.03944	2.5
55.01866	1.9
55.05502	2.9
55.98498	0.8
56.16687	0.8
67.05500	1.1
77.03910	0.8
79.05494	2.3
81.03395	1.5
83.04983	4.6
87.92286	1.0
91.05453	2.4
93.07058	1.4
95.04993	6.9
103.05476	46.6
105.03423	1.2
105.04488	1.4
105.07036	7.3
107.04956	1.6
109.06519	2.1
115.05436	1.9
117.07003	3.2
119.04964	1.2
119.08533	2.2
121.06566	1.2
128.06178	0.9
129.07021	1.7
131.04938	100.0
131.08569	1.8
133.06494	6.7
133.10094	1.1
135.04390	1.1
135.08054	1.5
142.07751	2.1
143.08568	3.8
145.06509	4.3
145.10127	1.9
147.08043	2.7
149.06033	1.6
155.08527	2.4
156.09364	1.8
157.10100	2.8
159.08083	4.3
161.06001	10.0
161.09673	1.9
163.07523	4.4
167.08578	1.5
169.06448	1.5
169.10120	3.7
171.08034	3.5
171.11671	2.7
172.08813	1.2
173.05923	1.2
173.09636	2.8
175.07500	1.5
177.05515	1.0
179.07066	2.3
181.10109	1.4
183.08037	1.7
183.11707	1.9
184.08861	1.5
185.05952	1.3
185.09634	3.1
187.07547	4.2
187.11118	1.3
189.09087	1.6
189.12758	0.9
195.07938	1.2
197.05873	1.0
197.09618	4.1
199.07544	3.7
199.11203	5.4
201.09172	1.0
205.08722	1.0
209.09650	1.2
211.11224	1.2
213.09192	5.0
213.12703	1.6
215.07066	1.6
215.10626	2.1
217.08524	1.8
217.12248	2.0
225.05403	2.0
225.09050	3.1
227.07045	1.4
237.09219	1.4
241.08479	4.8
243.06779	1.0
243.10123	3.1
253.08691	1.2
255.10291	1.8
257.08090	13.9
259.09552	6.5
263.14047	1.0
271.09567	2.0
275.09119	1.8
285.11182	2.2
294.25552	1.0
301.10812	7.3
303.12198	9.5
319.11734	4.8
385.14526	1.7
387.19473	1.4
401.13727	1.5
403.15506	2.2
419.14816	1.9
421.16467	2.3
431.14969	1.1
433.16483	1.7
435.17429	1.2
445.16443	2.3
449.16034	6.7
451.17212	1.3
459.79852	0.9
463.17148	5.5
469.18619	1.2
481.18591	6.2
499.19522	4.2
517.20825	1.5
611.22461	2.7
626.54504	1.0
629.23438	2.8
647.24939	2.1
651.79333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.03949	1.5
55.01876	3.0
55.05512	0.6
65.03950	0.8
67.05513	2.2
69.03422	1.5
69.69671	0.3
69.89787	1.4
71.04985	0.3
77.03929	1.3
79.05495	4.3
81.03423	2.8
81.07062	1.2
83.04980	1.0
85.02910	0.5
87.04523	0.3
87.64919	0.3
91.05480	5.8
93.03388	0.3
93.07035	2.3
95.01328	1.1
95.04361	0.6
95.04971	12.1
95.08621	1.2
97.02892	0.7
97.06534	0.9
98.20844	0.6
102.04735	0.4
103.05470	48.9
105.03416	0.8
105.04522	1.3
105.07035	9.2
107.04951	2.3
107.08588	1.0
109.06519	2.3
111.04460	0.8
113.05929	0.4
115.05437	3.6
116.06236	0.5
117.07031	3.5
119.04956	1.5
119.08583	2.7
121.02871	0.9
121.06519	2.5
121.10133	0.4
123.04429	1.0
123.08064	1.3
125.05999	0.6
128.06216	3.0
129.07024	3.1
130.07764	0.4
131.04932	100.0
131.08583	4.0
132.05342	0.4
133.06490	9.0
133.10118	0.9
135.04417	1.4
135.08073	2.7
137.05968	1.9
139.03926	0.7
141.06979	2.2
142.07787	3.0
143.08574	5.0
144.05682	0.4
144.09235	0.4
145.06483	6.1
145.10135	3.0
146.07256	0.5
147.04427	0.7
147.08058	3.3
147.49046	0.3
149.06009	2.6
149.09631	1.1
151.07568	1.0
152.06232	0.7
153.05493	0.8
153.07001	1.4
154.07780	1.3
155.08568	2.3
156.09354	3.5
157.06552	1.7
157.10135	4.5
158.07289	2.0
159.04420	0.6
159.08057	5.6
159.11707	1.4
160.08815	0.5
161.05989	17.7
161.09615	1.6
162.06728	0.5
163.07556	6.0
165.05586	0.6
165.07011	1.7
166.07762	0.9
167.07260	0.3
167.08598	1.4
168.09274	0.5
169.06512	2.8
169.10156	3.8
170.07248	0.8
170.10951	1.0
171.08055	4.7
171.11676	2.8
172.08878	1.9
173.05998	1.7
173.09627	5.3
174.06729	0.4
174.10358	0.3
175.03922	0.7
175.07535	2.3
175.11160	0.8
177.05455	1.0
177.09106	1.4
178.07828	0.6
179.07033	2.4
179.08566	1.7
180.09326	1.0
181.06494	0.7
181.10115	1.3
182.07263	2.1
183.08032	3.6
183.11676	1.0
184.08832	2.2
185.05978	1.5
185.09604	3.9
185.13286	0.6
187.03899	0.4
187.07532	5.6
187.11185	2.1
188.11798	0.4
189.05418	1.0
189.09152	2.0
189.12781	0.6
191.07068	0.9
192.09270	0.5
193.10089	0.9
195.06569	0.4
195.08057	2.1
195.11728	0.9
196.08891	1.1
197.06038	1.5
197.09634	6.8
197.13361	0.4
198.06775	0.8
198.10362	1.0
199.07571	5.4
199.11174	7.4
201.05472	0.6
201.09102	2.6
203.07062	1.2
203.08826	0.4
203.10683	1.0
204.09331	0.6
205.08586	2.3
205.10254	0.7
206.10924	0.7
207.06421	0.7
207.08073	1.2
207.11665	0.9
208.08929	0.5
209.06082	0.9
209.09526	2.2
209.13054	0.3
210.10362	0.3
211.07545	1.7
211.11188	1.0
212.08356	0.4
213.05667	0.4
213.09102	5.8
213.12663	0.7
214.09839	0.5
215.07059	1.7
215.10629	3.9
216.09393	0.5
216.11397	0.7
217.08577	3.5
217.10355	0.6
217.12181	4.5
218.10834	0.4
219.08296	0.4
219.10130	1.4
219.11929	0.5
220.08801	0.5
221.09705	0.8
221.13280	0.6
222.10442	0.7
223.07596	1.4
223.11165	1.4
224.08295	0.5
225.05614	1.8
225.09093	6.2
225.12619	0.7
227.06956	1.8
227.10680	1.4
229.05020	0.5
229.08534	1.3
229.12270	0.8
230.10977	0.7
231.06477	0.8
231.09947	2.0
232.12601	0.3
233.08029	0.9
233.09924	0.6
233.13414	0.7
234.10472	0.5
235.07516	0.8
235.09425	2.6
237.09085	1.0
237.12851	0.5
239.06953	0.4
239.10753	1.0
241.08527	6.7
241.10626	0.4
242.11082	0.6
243.06544	1.4
243.10031	4.7
244.07211	0.7
244.12573	0.6
245.07787	1.9
245.11687	0.6
246.08720	0.7
247.09328	1.9
249.09088	1.2
249.12737	0.8
251.06937	0.8
251.10675	0.9
251.14328	0.5
253.08598	1.3
253.12340	0.7
255.10190	1.3
256.12402	0.4
257.08078	20.3
257.11691	1.2
258.08853	1.3
259.09607	12.4
261.11218	1.0
265.08246	0.4
265.10635	0.9
267.10205	1.2
267.13821	0.4
269.08069	1.0
271.09369	1.9
272.11911	0.5
273.11017	1.5
275.09265	1.5
275.12930	0.5
277.12299	0.5
281.11694	0.6
283.09583	0.8
284.12042	0.6
285.11185	3.7
286.13531	0.7
287.14307	0.5
289.12436	0.6
289.15552	0.4
290.12869	0.5
291.12323	0.6
297.11588	0.4
298.09561	0.5
299.10345	0.4
299.13831	0.5
301.10684	10.5
303.09027	0.7
303.12268	12.2
309.11154	0.7
313.12195	0.7
315.13690	1.2
317.11771	0.6
317.15250	1.0
319.11728	5.4
319.16809	0.6
321.13339	2.1
325.11835	0.4
327.12912	0.4
329.15152	0.6
331.13242	0.8
331.16837	0.6
333.14532	1.1
339.13858	0.6
341.11545	0.5
343.13123	0.9
345.14755	1.3
347.16397	1.0
349.17847	0.4
355.12827	0.4
357.14789	1.7
359.12396	0.4
359.16428	0.6
360.13373	0.4
361.14520	1.5
363.15656	0.5
367.13058	0.9
371.12823	0.7
373.14203	1.2
375.15616	1.1
377.17294	1.2
383.12643	0.6
385.14426	1.8
387.12222	0.6
391.15408	2.0
393.16714	0.9
395.18439	1.1
401.13690	2.8
403.15436	3.7
405.17084	0.4
407.14679	0.6
409.16486	0.6
413.13904	1.0
413.19406	0.6
417.17215	0.6
419.14920	2.8
421.16495	3.2
431.14853	1.8
433.16510	3.2
435.18039	1.2
437.15814	1.5
439.17380	1.7
445.16425	3.2
449.15994	9.2
451.17719	4.0
453.18964	1.0
455.16812	0.9
455.30731	0.4
457.18451	0.4
463.17538	9.5
467.17010	2.1
469.18527	2.2
481.12073	0.6
481.18631	11.2
499.19727	8.1
517.20764	3.8
579.20056	0.4
587.22571	1.1
593.21411	1.1
611.22772	3.3
615.21844	0.5
629.23901	3.9
647.24408	2.0
665.25970	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01877	1.9
55.05514	26.0
57.03445	10.5
57.07064	4.4
59.06126	1.9
61.98001	2.0
65.03938	4.1
67.05506	90.0
68.05856	2.9
69.07076	27.0
71.04987	5.4
77.18015	1.7
79.05494	69.8
80.05820	3.7
81.07057	100.0
82.07388	4.9
83.04954	2.9
83.08619	19.5
85.06540	4.2
87.04419	2.2
91.05482	52.0
93.07045	83.2
94.07333	4.4
95.04976	5.7
95.08606	78.5
96.08961	3.0
97.06519	7.4
97.10159	7.5
99.08077	3.1
102.32623	1.9
103.05433	2.2
105.04472	2.6
105.07028	35.7
107.08599	44.5
109.10153	23.7
110.10465	2.6
111.08077	9.7
117.07025	8.3
119.08581	28.5
121.09325	4.3
121.10147	59.2
122.10478	3.0
123.08053	2.8
123.11735	7.5
125.09667	2.8
129.07021	3.4
131.08588	18.5
133.10129	25.2
135.11702	28.4
139.21115	2.0
143.08546	7.2
145.10143	12.5
147.11662	13.8
148.68584	2.1
149.13249	8.6
155.08453	2.9
157.10092	6.4
158.31877	2.0
159.11694	12.6
161.13281	12.3
161.14433	2.4
163.11194	2.6
163.14809	4.3
171.11705	3.7
173.13257	6.3
175.14807	6.8
179.14095	2.0
185.13254	4.1
185.43440	2.2
199.14766	3.0
221.15300	2.9
241.19553	5.1
259.20563	14.3
260.20737	3.3
261.22107	8.9
277.21640	7.5
279.23245	10.6
315.23065	2.6
333.24216	39.7
334.24234	2.3
335.25534	6.3
337.27350	5.7
351.25299	58.6
352.25552	9.2
353.26837	85.8
395.47916	2.2
519.41968	5.4
537.43292	2.7
542.76208	2.0
555.43420	2.9
593.45776	2.9
608.68665	2.3
611.46631	46.9
629.47668	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	664.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.4
55.05513	17.9
57.03442	9.0
57.07073	3.0
65.03945	4.1
65.68744	1.9
67.05508	100.0
68.05835	1.7
69.07072	20.1
71.05015	6.4
71.20090	3.8
72.78773	2.1
79.05496	63.8
81.07063	99.4
83.05009	4.4
83.08624	16.4
85.06561	6.1
88.20493	1.7
91.05481	43.9
92.05826	2.3
93.07053	64.4
94.07389	2.3
95.05012	3.2
95.08611	74.5
96.08920	2.4
97.06538	6.0
97.10172	4.1
99.08072	2.2
105.07032	32.4
107.08595	35.1
109.10158	21.0
111.08099	6.4
117.07024	13.8
119.08591	23.2
121.10156	69.7
123.08077	4.0
123.11749	6.0
129.07077	4.0
131.08574	20.3
133.10149	24.9
135.11697	32.7
138.27827	1.8
143.08585	4.0
144.09294	2.3
145.10100	13.6
147.11703	18.2
149.09656	3.0
149.13275	11.1
157.10187	4.4
159.11731	14.6
161.13289	11.4
163.11188	2.2
163.14783	2.2
171.11728	5.8
173.13307	7.2
175.14822	4.2
177.12759	3.5
179.14313	2.0
185.13226	3.3
187.14784	2.2
195.13834	2.5
215.17876	1.8
241.19545	9.0
250.19780	2.0
259.20581	31.4
261.22220	8.4
277.21649	19.9
315.23093	3.0
333.24289	23.1
335.25793	39.9
347.18826	1.8
351.25290	76.1
352.25552	4.4
353.26852	53.9
353.30887	3.5
519.41937	2.1
537.42969	5.8
593.45471	3.1
611.46631	19.8
629.47668	27.3
642.08740	2.2
664.44189	1.8
665.43781	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	664.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01865	1.7
55.05518	21.0
57.03444	11.2
57.07088	2.6
65.03929	4.7
67.05505	83.3
69.07070	24.7
71.04992	3.9
71.20428	2.1
71.20738	1.5
72.24836	1.3
72.90546	1.3
79.05493	60.0
80.24898	1.3
81.03409	1.4
81.07057	79.8
83.04974	3.4
83.08619	17.2
85.06540	3.4
91.05481	35.2
93.07041	61.5
95.04974	3.4
95.08603	55.5
97.06532	9.1
97.10180	5.2
99.08100	1.9
105.04509	2.2
105.07020	17.9
107.08598	32.6
109.06483	1.8
109.10156	19.7
111.08078	4.0
117.07015	4.9
119.08575	14.3
121.10142	60.4
123.11699	5.6
129.06987	2.1
131.08592	7.8
133.10121	15.6
135.11681	31.4
137.09589	2.0
137.13173	1.9
143.08578	1.7
145.10117	6.0
147.11684	12.6
149.13268	9.3
151.11150	1.6
159.11739	8.0
161.13231	8.0
163.11179	1.5
163.14777	2.6
171.11665	1.9
173.13228	2.5
175.14902	1.9
177.12820	2.4
181.12148	1.5
185.13293	1.9
195.13765	1.6
209.15385	1.8
241.19518	6.1
242.21170	1.4
259.20566	16.8
261.22150	5.8
277.21588	12.4
279.23166	11.4
315.23016	2.5
333.24222	24.6
335.25745	1.9
351.25287	84.7
352.25336	1.5
353.26849	100.0
354.27280	3.2
446.34454	1.7
484.40433	1.5
491.34674	1.6
529.38617	5.5
611.46826	9.3
629.47736	65.4
630.48132	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	664.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98992	2.5
53.03938	4.5
55.01870	5.5
55.05302	2.9
55.05518	33.5
55.34274	3.0
57.03439	16.9
57.07077	10.8
60.60234	2.7
61.54041	2.6
66.71592	2.5
66.93667	2.3
67.05511	92.0
69.07073	37.2
69.76479	2.8
71.04977	7.1
71.05562	3.5
71.08623	14.2
79.05497	54.8
81.03411	4.5
81.07060	100.0
81.90135	2.9
83.04999	3.9
83.08620	27.8
85.06539	4.3
91.05489	58.8
93.07053	68.3
95.04964	5.0
95.08615	81.5
97.06550	10.3
97.10183	15.0
98.98476	3.0
99.08096	4.7
105.07044	32.5
107.04946	4.7
107.08604	36.0
109.06547	5.6
109.10167	38.6
111.08091	4.1
117.06992	15.5
119.08612	33.4
121.10151	31.6
123.11700	9.5
125.09647	8.6
129.07007	5.0
131.08592	22.7
133.10159	21.8
135.11697	17.2
137.13219	5.3
145.10123	15.4
147.11754	14.4
149.09605	3.3
149.13246	10.3
153.12695	3.7
157.10159	4.6
159.11728	8.7
161.13252	10.4
163.11154	3.6
163.14798	4.1
171.11676	5.1
173.13345	5.1
177.12862	3.9
185.13318	4.5
187.14841	4.0
227.12831	10.3
227.96967	3.3
241.19545	3.5
259.20520	9.3
261.22104	7.0
275.19998	14.4
277.21695	9.9
279.23248	8.2
333.24213	11.4
335.25824	7.8
337.27386	16.3
349.23752	24.5
351.25284	30.3
353.26941	34.8
355.28430	44.5
384.14621	3.6
454.83807	3.4
491.36884	3.2
529.38965	3.9
552.33093	6.1
608.39209	4.0
611.46411	8.5
629.47754	78.0
664.50537	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	664.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
55.05511	6.3
57.03155	0.8
57.03437	10.3
57.07081	21.5
59.05002	3.1
59.89597	0.6
61.02932	4.0
65.03935	0.7
67.05509	59.2
68.05833	0.8
69.03426	0.8
69.07079	5.5
69.38266	3.2
69.38692	2.1
71.04995	3.2
71.08636	14.8
73.02933	1.2
79.05484	4.8
80.05825	0.8
81.07064	17.7
83.08620	9.8
85.02920	4.3
85.06551	1.6
85.09731	0.7
85.10188	9.6
85.50492	0.7
87.04475	0.9
88.31048	0.6
91.03970	2.0
91.05488	5.7
92.05819	0.8
93.07075	5.3
95.04961	0.7
95.08060	1.0
95.08615	16.6
96.08932	0.7
97.02882	2.1
97.03464	0.7
97.06510	0.8
97.10176	2.1
98.74038	0.8
99.08082	1.1
103.07568	1.0
105.07048	2.4
106.07402	0.7
107.08605	3.5
108.52306	0.6
109.10165	62.5
111.08067	2.1
117.07038	1.6
119.08591	6.1
121.10166	2.9
123.11721	2.2
131.08554	2.3
133.10146	2.4
134.10483	1.0
135.11693	2.7
136.94618	0.6
137.09644	3.1
137.67691	0.7
145.10141	1.7
146.10439	0.7
155.10709	5.2
157.10199	0.9
159.11748	1.2
165.09074	0.7
173.11758	15.6
173.13159	0.8
179.14207	0.8
185.13222	0.9
221.15477	1.6
222.15700	1.2
229.14363	100.0
239.23746	1.8
255.87209	0.6
257.24872	1.8
263.22705	0.8
313.27383	75.7
351.25336	2.1
352.25714	1.5
353.26422	1.6
467.37381	61.6
468.37900	1.4
629.46198	1.1
646.47589	0.7
664.48151	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	664.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91262	0.8
53.03939	1.9
55.01859	0.9
55.05502	2.3
57.03419	0.9
57.07072	1.4
60.97445	0.7
67.05505	4.6
69.03420	2.7
69.07069	1.6
71.04996	1.1
79.05499	5.9
81.03413	3.2
81.07066	12.1
83.04982	1.8
83.08624	1.1
85.02909	23.6
87.04469	2.3
91.05492	8.4
93.07056	6.7
95.04974	1.9
95.08616	5.3
97.02894	1.7
97.06522	0.8
105.06381	1.2
105.07037	13.0
107.08624	5.7
109.02867	0.8
109.06498	2.3
109.10149	3.8
111.04432	1.0
117.07005	3.3
119.08585	17.6
121.06486	1.0
121.10160	6.1
123.08059	1.4
123.11720	24.6
125.06002	2.2
127.03948	1.3
129.06990	1.5
130.07777	1.8
131.08588	5.3
133.06503	6.0
133.10136	2.9
135.08099	1.2
135.11705	1.8
137.09622	1.4
143.08591	1.6
145.10132	18.2
147.08031	2.3
147.11700	25.5
149.09598	2.4
151.07549	1.2
155.08614	0.9
156.09319	4.5
157.10176	1.0
159.08011	1.0
159.11702	2.1
161.09604	1.1
161.13298	0.8
163.11211	0.8
165.12727	0.9
171.11705	5.3
174.10349	2.4
183.11707	1.6
189.12756	100.0
207.13802	20.7
225.14853	4.2
369.24149	0.8
387.25299	1.6
405.26273	1.1
577.24139	1.1
632.24768	1.8
653.68988	0.8
664.46198	1.3
679.46625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.9
55.01870	2.8
55.05509	7.2
56.17210	1.0
57.03433	1.1
57.07095	5.0
59.04998	1.3
65.03941	1.3
67.05172	2.0
67.05509	26.7
69.03427	5.5
69.07072	4.5
70.33692	1.0
71.05012	1.4
79.05499	9.2
81.03420	5.4
81.07062	14.7
83.04987	4.3
83.08634	2.6
85.02911	4.0
85.06541	11.9
86.18024	1.0
87.04486	2.0
91.05491	10.0
93.07055	17.4
95.04987	5.4
95.08615	86.3
97.02903	2.5
97.06525	2.0
101.29840	1.0
105.07037	15.0
107.04955	1.7
107.08594	13.2
109.02911	1.8
109.06536	3.9
109.10149	4.8
111.04482	0.9
111.08115	1.5
113.06016	10.9
117.07030	4.7
119.08584	17.7
121.06513	1.8
121.10160	12.8
123.08076	28.9
123.11732	2.9
127.03984	1.4
128.06169	1.2
129.05576	1.2
129.07027	2.4
131.08585	6.9
133.06490	1.7
133.10152	7.8
135.08066	2.7
135.11700	15.7
137.09654	4.2
137.13263	2.1
141.07018	1.2
143.08571	2.8
145.10107	6.0
147.08076	4.0
147.11713	8.5
149.09631	35.7
149.13234	1.7
151.07539	2.3
151.14874	4.2
155.08626	1.4
157.10135	3.1
159.08098	1.5
159.11743	3.3
161.09631	2.1
161.13280	13.4
163.11157	8.5
165.12773	7.2
169.10204	2.3
171.11720	4.5
173.13280	3.0
174.10455	1.9
175.11179	1.2
177.12769	1.0
179.14333	3.8
183.11705	1.8
185.13335	2.1
187.14803	1.1
189.12769	19.4
191.14401	2.2
207.13815	100.0
208.13976	1.3
211.14902	1.3
225.14911	3.1
230.13341	0.9
261.22153	2.6
279.23184	1.1
303.23151	2.6
323.09601	1.1
335.25354	1.1
351.23267	1.3
369.24231	5.4
387.25247	4.8
405.26224	5.7
423.27563	2.6
467.35098	1.4
504.68423	1.1
664.46692	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.5
57.07071	1.8
67.05506	7.3
69.03422	2.1
69.07064	3.2
71.56116	2.7
79.05489	4.7
81.03407	2.6
81.07060	7.3
83.04974	4.4
87.04473	3.2
90.26130	1.6
91.05488	8.1
93.07043	6.4
95.08610	5.3
105.07037	12.7
107.08599	6.2
107.77097	1.7
109.06541	1.6
109.10178	3.3
116.76818	1.6
117.06968	3.2
119.08584	14.3
121.10143	6.1
123.08104	2.1
123.11764	2.5
129.07014	3.3
130.07721	1.9
131.08577	6.8
133.06490	4.8
133.10130	2.6
135.11714	2.0
143.08527	2.5
145.10120	19.9
147.08075	2.6
147.11697	24.4
149.09688	2.4
156.09360	5.9
157.10072	1.7
159.11694	2.2
161.09775	1.9
163.11229	1.9
171.11705	4.2
174.10388	2.6
174.59570	1.7
177.12730	1.7
183.11707	2.0
189.12744	100.0
190.12907	2.0
207.13800	26.4
253.34050	1.6
286.98846	1.9
303.23428	1.8
341.24606	2.1
347.64853	1.7
369.24158	4.1
387.25330	4.6
391.43817	2.0
405.26221	3.3
664.34650	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	664.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01873	2.3
55.05507	3.5
57.03458	1.2
57.07072	3.7
65.03931	1.1
67.05511	7.9
69.03436	3.5
69.07066	3.4
71.04976	2.8
79.05505	13.1
81.03428	1.9
81.07066	34.7
83.05000	5.1
83.08624	2.3
85.06545	1.7
87.04465	1.1
89.06017	2.9
91.05497	10.4
92.29419	1.0
93.07056	13.5
95.04983	5.1
95.08614	8.1
97.06535	2.7
98.20634	1.8
99.08092	2.3
103.05457	1.8
105.03407	19.7
105.04506	1.9
105.07037	17.9
107.04951	3.2
107.07887	1.3
107.08612	14.5
109.06532	19.3
109.10194	6.3
111.08091	4.2
115.05436	2.3
117.06979	5.2
119.08586	15.6
121.06506	5.5
121.10155	9.8
123.08097	5.7
125.09599	1.7
128.06250	2.2
129.07019	5.0
131.04909	1.9
131.08583	13.0
133.08609	2.7
133.10136	10.1
135.08066	29.5
135.11708	2.3
136.06201	3.1
137.09639	11.1
141.06995	3.0
142.07791	3.9
143.08591	12.9
144.09325	1.7
145.06429	1.2
145.10129	19.2
147.08096	6.3
147.11758	4.9
149.09634	19.2
151.11185	1.5
153.06979	1.6
155.08551	5.3
156.09337	3.8
157.10141	14.1
159.08112	3.2
159.11726	11.1
161.09662	9.1
161.13330	1.7
163.11272	5.9
165.07014	1.8
165.09102	1.9
166.07796	1.3
167.08595	2.8
168.09387	1.5
169.10175	8.5
170.10876	2.8
171.08026	2.0
171.11711	9.9
172.08900	1.8
173.09668	9.7
173.13306	6.8
174.10425	1.1
175.11205	5.5
177.09103	2.0
177.12675	1.2
179.08568	1.8
179.10835	1.7
180.09315	1.3
181.10133	5.6
182.10927	2.2
183.11673	9.8
184.12245	1.3
185.09692	2.9
185.13278	9.2
186.10379	1.9
187.11176	9.9
187.14876	2.8
189.12782	3.4
191.10719	1.3
192.09267	1.1
193.10121	4.2
194.10956	1.7
195.11710	7.5
196.12433	3.2
197.09674	1.9
197.13239	6.4
199.11200	4.6
199.14862	4.4
199.16544	1.1
200.12038	1.8
201.12746	13.3
201.16254	1.1
203.14351	2.3
207.11716	4.3
209.13248	5.7
211.11311	2.6
211.14894	3.1
213.12787	7.9
213.16409	1.7
214.13483	1.1
215.14375	4.0
215.18015	1.8
217.12207	1.2
219.11804	1.8
219.13808	1.7
221.13383	3.4
223.14786	3.9
224.11967	1.5
225.12892	5.8
225.16365	8.5
227.14346	4.6
229.16016	2.0
233.13165	1.8
235.11241	1.1
235.14795	2.3
236.85878	1.2
237.12753	2.4
239.14284	4.0
241.15927	7.2
243.13837	3.3
243.17461	24.9
247.14877	3.2
251.14386	1.4
253.15897	3.1
255.17598	1.7
257.15466	2.0
261.16306	2.0
263.14450	1.5
265.15881	1.5
267.17459	3.4
269.19116	1.4
277.15842	1.4
281.18896	1.9
283.17291	1.2
285.18518	17.0
287.17841	1.3
289.19473	1.2
291.17508	1.5
305.18991	2.3
307.20486	7.7
317.18924	1.5
323.20270	1.9
325.21606	5.3
331.20563	1.9
333.22098	1.7
335.20041	2.0
347.23740	3.6
349.21521	10.2
351.23224	10.6
353.20828	1.3
357.21939	2.1
363.23416	1.5
365.24707	4.2
375.23175	11.0
393.24280	35.1
393.29453	1.7
407.22076	2.1
421.27277	3.3
429.27271	1.1
447.29166	4.7
465.30148	7.3
497.26840	4.4
515.27997	100.0
516.28381	1.8
654.66034	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
54.00945	2.2
55.01881	14.5
55.05497	4.4
57.92807	2.4
67.05510	4.0
69.03423	4.0
69.19202	22.1
69.19620	6.1
69.33290	2.4
74.09346	4.7
74.09723	51.8
79.05507	13.1
80.55535	2.2
81.03413	17.0
81.07030	7.8
83.04964	5.3
85.14404	2.5
88.07619	7.5
91.05485	26.0
93.07034	7.1
95.05009	13.6
95.08611	4.6
96.48022	2.5
98.20786	6.1
103.05479	48.4
105.03381	8.7
105.04542	2.6
105.07063	13.5
107.04944	9.9
107.08613	3.9
115.05460	4.8
117.07021	9.3
119.04857	4.0
119.08588	24.8
121.06519	5.8
121.10146	3.1
121.18703	2.8
123.08070	2.4
128.06239	5.6
129.06998	19.6
131.04942	100.0
131.08557	20.1
131.79814	2.8
132.08894	2.5
133.06512	7.2
133.10170	13.1
141.06992	3.3
143.08586	12.1
145.06512	14.1
145.10094	12.7
147.08060	58.9
148.08540	2.7
149.09628	28.1
155.08543	6.4
156.09314	4.7
157.10159	30.6
159.08069	59.5
159.11699	35.4
161.09619	34.5
163.07542	6.3
163.11241	3.5
169.06595	2.6
169.10129	11.6
171.08090	4.3
171.11711	22.2
173.06018	4.2
173.09669	16.0
173.13278	11.4
175.07576	18.2
175.11179	2.8
181.10104	3.6
183.11734	14.9
185.09607	5.8
185.13266	4.9
187.11172	9.6
193.10147	4.3
195.11720	3.2
197.09642	7.0
197.13339	5.0
199.11183	15.9
201.09157	3.4
201.12704	8.9
207.11699	5.3
209.13303	4.3
211.11250	4.8
213.09119	3.8
213.12698	3.4
215.10783	4.0
217.12192	3.3
219.11882	3.1
221.13167	4.3
223.11031	3.3
225.12733	14.8
227.10583	3.3
229.12196	8.0
231.13783	5.7
232.12575	3.3
233.15329	9.9
235.14749	3.7
239.14354	3.9
241.12259	2.9
243.13878	5.8
245.15440	5.4
248.15369	2.9
249.12796	5.0
251.14171	3.3
261.14941	7.7
287.14182	2.8
299.16464	3.8
305.19113	2.7
315.17361	11.3
329.18887	4.1
333.18500	15.9
343.17001	5.0
347.20190	4.1
357.18460	4.8
375.19601	16.7
379.22614	3.0
385.18204	4.4
389.21112	10.6
391.22528	8.0
403.18768	5.0
407.22232	44.4
408.22620	4.1
417.20535	12.9
425.23141	29.0
435.21771	57.2
436.21707	3.4
450.49799	2.9
453.22653	30.2
583.26642	5.5
601.27649	10.6
605.27289	34.4
646.33386	3.0
664.34564	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34973	4.7
54.77356	4.7
55.01871	13.0
55.05505	10.6
57.07078	33.5
59.70558	5.3
67.05499	12.2
69.03419	13.3
69.07087	5.6
69.67738	5.3
71.55179	7.0
79.05495	26.7
79.64087	5.1
81.03427	11.4
81.07065	20.5
83.04974	13.5
85.06576	10.8
91.05495	34.4
93.07066	33.7
95.04986	34.1
95.08628	13.7
97.06548	7.9
102.64435	5.6
103.05485	17.3
105.07050	47.4
107.04948	9.7
107.08590	29.2
109.06539	14.6
115.05397	6.4
117.07021	19.6
119.08594	82.4
121.06522	19.0
121.10166	16.4
128.06297	9.8
129.07019	15.2
131.04968	16.6
131.08585	24.9
133.06491	24.8
133.10123	27.6
135.08081	29.6
142.07777	11.4
143.08572	38.6
145.06566	11.1
145.10146	27.1
147.08069	24.0
147.11746	8.5
149.09694	33.9
155.08607	22.0
156.09349	12.1
157.10141	76.8
158.10913	9.3
159.08066	27.2
159.11719	45.3
161.09642	21.6
163.07596	10.7
167.08675	6.9
169.10136	49.4
170.10895	15.5
171.08038	6.1
171.11720	58.8
172.08852	7.1
173.09621	22.7
173.13245	10.6
175.07605	5.7
177.09071	10.7
179.08615	15.1
181.10136	22.6
183.08028	8.0
183.11710	100.0
184.12305	5.5
185.09634	23.9
185.13293	22.4
187.11208	23.3
189.09161	7.1
193.10144	24.3
193.12207	20.0
194.10971	12.8
195.11731	24.7
197.09601	13.4
197.13232	18.4
197.25259	5.4
199.11205	16.5
201.09203	8.4
201.12814	19.0
203.08638	9.1
204.09407	6.5
205.10072	7.0
206.10913	17.9
207.11728	34.7
208.12595	9.1
209.09714	11.4
209.13280	28.2
210.10449	7.2
211.11215	24.9
213.12744	10.4
215.08659	6.1
215.10655	9.2
216.09286	12.1
217.10193	15.8
217.12213	11.2
218.10960	11.6
219.11725	24.8
220.12506	16.2
221.13281	33.7
222.10509	6.8
223.11336	11.5
223.14781	18.9
225.12735	10.3
227.10756	8.2
229.12271	18.4
230.10985	14.7
231.11691	25.1
231.13716	7.3
232.12485	18.6
233.13234	23.7
233.15300	10.8
234.14001	8.7
235.11223	12.2
235.14885	34.9
237.12770	12.6
239.10757	6.0
241.12280	7.1
243.11702	9.1
243.13867	19.7
244.12343	12.6
245.13405	26.9
246.14134	19.4
247.11172	6.9
247.14960	43.7
248.12065	6.9
249.12798	17.1
249.16400	18.6
251.17813	8.3
255.11676	7.3
255.14037	6.7
257.13376	12.7
258.14023	12.0
259.14963	30.7
260.12030	6.9
260.15439	8.4
261.12668	10.2
261.16602	35.8
263.14288	17.4
265.12314	5.6
265.15906	12.0
269.13309	6.6
270.14056	12.6
272.11975	6.3
272.15552	7.8
273.12708	10.2
273.16360	16.0
275.14337	13.6
275.18124	8.1
276.11624	6.5
277.15692	9.9
279.17535	9.9
285.12506	6.0
285.16144	8.8
287.14053	8.4
289.15930	12.7
291.13782	8.2
293.15509	7.6
301.15863	20.5
302.16571	6.5
303.14215	6.9
303.17465	20.7
305.15582	5.8
309.14627	6.5
309.18607	6.2
317.15491	11.7
317.19046	38.1
319.16891	16.4
321.18536	26.1
327.17538	7.0
329.15311	9.9
331.13345	7.8
331.17084	12.9
333.18719	10.7
335.16550	9.8
335.20129	9.0
337.17932	10.5
339.19504	9.7
343.16763	11.4
345.18362	26.5
347.12866	7.0
347.16415	42.0
349.17935	14.9
351.19531	9.0
361.17944	63.2
363.15720	9.7
363.19748	19.4
365.17459	44.9
367.18915	8.9
371.16415	11.4
377.21130	14.6
379.19107	44.2
389.17563	52.5
393.16785	7.8
395.22263	11.9
407.18573	66.9
411.21884	10.8
417.16742	13.1
421.20096	68.8
423.21793	8.6
425.19910	10.2
435.17957	20.3
439.21155	69.2
449.19763	28.1
453.18906	7.6
457.22171	18.4
467.20688	38.3
471.20618	7.1
485.21506	19.8
664.27783	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	664.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.5
55.05518	43.4
63.51835	4.2
65.03950	4.5
67.05502	12.8
69.03447	4.5
69.23902	39.5
77.42914	4.5
79.05488	13.7
80.05655	3.8
81.03419	15.2
81.07059	12.6
83.04556	5.3
83.04992	65.9
91.05475	19.2
93.07043	15.6
95.04959	19.4
95.08617	10.3
97.06545	4.9
103.05459	29.5
104.05816	6.1
105.03408	17.7
105.07037	31.8
107.04984	7.4
107.08590	17.0
109.06509	8.1
115.05448	8.5
117.07053	21.0
119.04938	4.5
119.08585	45.7
121.02702	4.1
121.06508	11.3
121.10117	8.5
123.04488	6.3
128.06223	7.5
129.07008	7.1
130.07762	4.9
131.04941	50.1
131.08566	17.4
132.05270	9.4
133.06497	16.6
133.10133	17.3
135.08040	11.5
136.06163	18.3
141.07028	7.4
142.07748	9.2
143.08562	16.2
145.06480	19.9
145.10155	21.7
147.08032	16.0
149.05908	6.5
149.09630	13.7
152.05719	6.9
155.08554	14.1
156.09335	12.9
157.10124	44.1
159.08063	17.5
159.11717	45.4
161.05971	21.2
161.09625	15.3
163.07574	22.4
165.07071	5.2
167.08521	4.8
169.10204	24.1
170.10965	13.5
171.08141	7.2
171.11729	33.9
172.08853	5.0
172.12184	5.2
173.06053	7.0
173.09642	20.8
173.13268	11.1
175.07500	10.6
177.09134	13.5
179.08517	5.5
181.10153	8.9
183.11708	100.0
184.12030	7.4
185.09584	15.4
185.13332	22.9
187.11191	12.3
189.09129	12.7
189.12782	6.0
191.07085	8.7
193.10164	6.1
194.10815	5.1
195.11758	8.4
196.11902	5.2
197.09602	11.9
197.13292	10.5
198.13739	5.1
199.11221	15.4
201.09242	6.3
201.12804	24.2
205.12213	7.1
207.11723	16.4
208.12318	9.2
209.09612	6.4
209.13237	11.7
211.11208	22.4
213.09163	8.1
213.12721	14.3
214.18004	4.9
215.10696	8.0
217.10158	8.6
217.12131	5.9
219.11707	13.5
221.13187	14.2
223.11215	7.9
227.10728	6.7
227.14572	5.4
229.12254	19.1
231.11769	8.3
231.13838	7.7
232.12425	7.0
233.13348	8.4
233.15404	10.8
235.11198	5.8
235.14775	7.5
237.12793	5.8
237.16333	5.2
239.10669	7.3
243.11630	5.8
243.13870	8.2
245.13246	10.4
245.15614	7.0
247.11069	7.6
247.14856	7.7
249.12854	5.4
261.12555	5.2
261.14838	13.6
264.14862	5.3
269.15503	6.2
275.14493	9.3
275.17615	5.6
283.11197	7.0
284.15482	5.0
285.16101	6.2
289.14374	4.7
303.17450	5.9
305.15204	4.4
313.15863	11.2
321.18527	7.1
331.16867	17.6
341.44461	5.1
345.18481	19.8
349.18188	6.2
355.16812	6.3
363.19516	8.3
373.18079	22.5
377.32651	5.4
389.22379	5.1
391.18961	13.1
401.17325	6.3
405.20551	16.7
419.18411	9.5
423.21652	15.3
433.20166	13.4
437.19653	8.2
441.22705	6.5
451.21118	23.0
469.22382	10.1
511.22934	7.0
611.28711	44.2
646.30548	5.3
664.34363	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.7
57.07077	49.8
57.07462	1.6
65.03898	0.5
66.70652	0.4
67.05467	0.9
69.07052	0.6
69.24321	4.2
73.16084	0.4
77.03957	0.7
79.05444	1.0
80.80068	0.4
81.07032	0.9
87.04419	0.9
91.05479	7.7
93.07013	0.7
95.04935	0.7
95.08537	0.8
98.21627	0.6
105.07032	2.7
109.10101	0.4
117.06966	0.9
119.08527	1.7
121.10146	0.4
131.08582	0.5
132.09305	0.8
133.10081	0.7
135.11601	0.6
142.50638	0.4
147.11678	6.6
152.06195	1.2
153.07037	2.9
161.13318	0.7
171.07956	0.7
185.76410	0.4
228.09354	1.0
229.10107	1.1
233.03578	5.7
251.04671	16.6
269.84302	0.4
307.10815	1.9
327.07797	100.0
328.08240	1.3
363.17316	0.4
368.10437	0.5
383.14053	71.5
384.14441	1.0
392.05649	0.5
439.20340	74.3
440.20706	1.6
495.26593	61.4
496.26859	1.8
551.32849	83.1
552.33386	2.5
607.39081	79.3
608.39441	2.4
663.35437	1.6
663.45313	20.6
664.45203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18678	0.6
55.05512	3.4
57.03435	0.6
57.07070	0.7
59.04985	0.8
67.05505	6.7
69.03424	3.2
69.07066	6.4
71.04982	1.3
79.05491	1.9
81.07072	6.1
83.04990	5.4
83.08629	3.1
83.20139	0.6
84.08179	0.6
85.02912	1.2
85.06520	1.1
91.05476	1.0
93.07069	3.4
93.09190	0.6
95.08611	10.8
97.06557	0.9
97.10178	0.9
98.21515	1.6
99.08101	1.5
105.07011	3.1
107.08610	7.7
109.06529	4.7
109.10166	41.4
111.08081	1.1
113.09662	0.6
119.08588	13.9
121.06505	0.7
121.10140	5.1
123.08073	5.8
123.11726	3.4
133.10146	9.2
135.11705	39.5
137.09630	8.7
138.65504	0.6
139.11179	0.8
147.11829	0.6
149.13261	2.8
151.11218	4.0
151.14847	5.9
153.12679	1.2
165.16367	2.2
175.14841	16.3
193.15891	22.0
205.12283	0.7
211.16951	100.0
215.10675	0.7
223.94171	0.6
233.73926	0.7
268.38318	0.6
277.61295	0.7
291.12482	1.2
589.51727	0.6
686.94855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.5
55.01869	9.5
55.05515	52.1
56.05849	4.6
64.49416	4.8
67.05505	20.1
69.03431	17.0
69.07082	9.6
69.10034	5.8
71.56440	5.8
71.72403	5.4
71.78738	4.6
72.08128	5.2
79.05486	24.2
79.77895	5.4
81.03423	14.5
81.07052	33.4
83.01324	5.6
83.04990	93.7
85.02898	11.8
86.06062	9.2
87.28209	4.5
91.05490	34.5
93.07049	26.0
95.04969	41.4
95.08597	20.1
97.02892	11.2
97.06522	15.6
97.14890	4.3
101.02393	5.9
103.05461	18.2
103.55280	5.0
105.03391	30.0
105.07043	57.5
107.04965	13.4
107.08601	23.4
109.02900	5.5
109.06513	18.2
109.10166	7.8
111.04450	8.4
111.08007	5.3
115.05462	10.7
116.10749	12.1
116.88551	4.9
117.07011	18.5
119.04913	9.6
119.08585	64.1
121.06527	15.4
121.10144	10.3
123.04440	10.0
123.08065	11.8
128.06241	8.1
129.07004	13.7
131.04947	34.2
131.08582	29.7
133.06514	25.6
133.10121	28.5
135.08037	17.9
136.06175	6.2
137.05890	8.9
142.07729	10.1
143.08563	25.7
145.06480	14.2
145.10153	36.3
147.08031	19.8
149.06004	17.2
149.09622	28.8
155.08527	20.2
156.09338	17.1
157.06450	5.3
157.10155	57.4
159.08107	30.6
159.11717	34.2
161.05952	14.2
161.09660	16.6
163.07523	11.7
165.06927	8.6
167.08548	9.6
169.10153	34.0
170.10895	18.8
171.08049	14.8
171.11722	46.9
173.06023	6.6
173.09639	22.9
173.13277	10.9
175.07585	5.8
175.11159	6.4
177.05479	6.9
177.09128	11.4
179.07104	6.6
179.08606	10.0
180.09340	10.8
181.10129	23.1
183.08070	10.3
183.11711	100.0
184.12418	6.2
185.09622	18.8
185.13304	31.0
186.13710	6.8
187.11137	20.2
189.05489	6.7
189.09241	8.0
191.07089	8.1
191.10661	8.8
193.10184	18.9
194.10931	16.5
195.08086	8.0
195.11754	23.6
197.09616	22.5
197.13257	18.1
199.07553	5.2
199.11218	25.2
200.11755	8.5
201.09081	6.1
201.12668	16.9
203.08656	8.1
203.10580	6.1
205.10263	9.7
206.10962	13.3
207.11697	33.2
208.12453	13.7
209.09633	9.7
209.13245	21.8
211.11176	29.9
211.12984	6.4
213.12735	17.1
215.10626	9.3
216.09369	6.2
217.10187	13.5
217.12244	8.1
219.08156	6.5
219.11671	17.7
219.13684	6.5
220.12457	11.3
221.09753	6.2
221.13264	35.2
222.14008	11.4
223.11201	14.9
223.14746	23.3
225.12759	16.7
227.10774	7.4
229.10115	10.5
229.12241	16.3
230.10843	8.3
231.11633	20.6
231.13843	11.7
232.12369	15.9
233.13280	22.6
233.15274	5.3
234.10226	7.1
234.13988	15.5
235.11145	18.3
235.14784	23.8
236.11739	5.5
237.12709	11.3
237.16371	28.5
239.14412	7.3
241.10162	6.0
241.12312	8.8
243.11659	15.8
243.13850	11.2
244.12462	10.0
245.13292	16.2
246.14098	17.8
247.11165	12.3
247.14981	33.3
248.11945	9.8
248.15561	8.2
249.12790	11.6
249.16434	16.3
251.10634	5.3
251.14311	22.9
257.13269	14.7
258.14108	9.3
259.14908	15.3
260.15533	11.4
261.12695	12.0
261.16333	19.1
263.14276	12.0
263.17923	15.9
265.15945	18.2
271.14951	6.6
273.12830	9.6
273.16357	16.2
275.14243	12.1
276.14752	7.0
277.12186	7.5
277.15771	13.4
278.16479	6.6
279.17438	14.5
281.15414	5.7
283.14648	6.8
285.12665	6.5
286.13690	11.8
287.14255	11.2
287.17834	5.2
288.15182	6.9
289.15677	16.5
290.16678	5.7
291.14209	8.3
291.17404	34.2
293.15408	9.3
295.16983	8.6
299.14273	10.9
300.14963	6.9
301.12341	7.0
301.15851	20.2
305.15494	10.9
305.18842	8.7
307.16937	21.0
309.18295	7.1
315.13644	9.6
315.17300	13.1
319.16925	20.4
321.18436	11.9
323.16531	6.9
323.19916	11.4
328.14389	6.3
329.15210	9.8
331.16965	11.3
333.14709	6.0
333.18411	16.4
335.16504	8.0
343.16888	26.2
345.14694	8.9
347.16278	21.5
351.19617	6.8
359.15863	7.3
359.22070	5.5
361.18011	37.9
363.15552	7.7
365.17484	28.0
367.19080	13.1
369.20844	8.0
371.16455	20.0
373.17868	7.0
375.15543	8.0
375.19852	7.4
379.19022	36.0
383.18668	12.3
389.17474	31.3
393.16644	10.6
397.20074	17.8
403.18863	13.3
407.18457	56.7
417.17270	10.0
421.19931	17.9
425.19519	40.8
435.17972	18.9
439.21246	14.5
443.20688	7.5
444.25336	5.7
445.26053	15.2
449.19943	6.6
453.18951	16.3
457.22275	9.6
467.20605	11.3
471.19962	9.8
485.21603	13.4
503.22900	5.5
525.37189	5.3
545.27039	5.8
549.31134	7.9
588.13788	5.7
645.28217	6.6
663.29523	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	663.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.0
55.01880	3.7
55.05519	22.1
67.05504	7.8
68.23496	2.6
69.03425	8.5
69.24289	19.1
69.24701	5.4
75.09653	2.3
77.03919	3.4
79.05497	8.7
79.09949	3.0
81.03413	5.5
81.07057	14.9
83.04996	32.5
85.02894	4.7
85.91136	2.6
91.05493	23.0
93.07043	12.3
95.04964	18.1
95.08604	8.3
97.02927	2.8
98.20695	5.6
103.05450	12.8
105.03400	100.0
105.04478	6.1
105.07041	23.8
106.03728	3.0
107.04958	4.2
107.08588	11.3
109.06501	5.8
109.10111	2.7
110.70248	2.7
111.08141	2.5
115.05457	9.7
117.07040	13.1
119.04958	3.1
119.08578	28.3
121.06451	7.8
121.10143	5.4
123.04420	3.7
123.08073	4.2
128.06226	7.9
128.19698	2.7
129.06992	8.2
131.04919	23.5
131.08568	17.9
133.06479	7.6
133.10118	17.6
135.08105	5.1
141.07001	4.7
142.07802	7.7
143.08606	13.7
145.06491	8.9
145.10146	9.7
147.08025	14.0
149.09641	5.9
153.06967	5.0
154.07788	3.9
155.08571	12.0
156.09344	10.5
157.06491	3.1
157.10144	28.2
159.04466	3.5
159.08063	15.4
159.11678	13.1
161.05998	9.0
161.09633	10.2
163.07565	11.9
165.06992	3.7
167.08632	3.8
169.10133	20.0
170.10843	10.2
171.08017	10.8
171.11694	32.4
173.09607	15.6
173.13243	5.0
175.07535	7.5
177.09091	7.9
179.08565	7.3
181.10127	11.7
183.08041	6.2
183.11711	39.4
184.08810	5.8
184.12360	3.8
185.09607	12.0
185.13260	18.8
187.07561	5.1
187.11174	11.2
189.05482	7.2
189.09169	3.2
191.06912	3.1
191.10680	3.9
192.09407	4.5
193.10139	9.3
194.10841	3.7
195.08214	3.0
195.11690	12.9
197.09637	8.2
197.13251	8.9
198.10358	4.6
199.11201	35.5
200.11935	4.7
201.09091	6.3
201.12718	5.3
203.06914	4.3
203.08629	3.6
204.09409	4.6
205.10117	4.7
206.10876	9.4
207.11684	18.4
208.12578	6.7
209.09618	7.4
209.13251	10.7
210.10411	3.2
211.11166	12.4
211.14906	3.4
213.09093	9.9
213.12730	20.7
215.08635	3.4
215.10667	8.6
217.08394	4.4
217.10110	8.0
218.10913	6.4
219.11833	12.7
220.12465	7.9
221.09740	4.4
221.13298	15.6
222.10396	5.1
222.13960	5.1
223.11183	7.9
223.14803	6.2
225.09106	4.3
225.12645	6.2
227.10663	6.3
229.10281	5.2
229.12111	5.2
230.10934	9.3
231.11650	10.8
231.13823	11.3
232.12430	9.2
233.09654	3.6
233.13214	11.1
233.15305	3.3
234.10454	5.0
234.13933	6.9
235.11172	8.6
235.14778	9.0
237.09145	3.6
237.12784	9.4
237.16359	10.5
239.10748	3.3
239.14166	3.0
241.12221	5.9
242.10951	4.7
243.11823	16.0
243.13873	4.7
244.12430	13.5
245.09616	3.9
245.13608	13.7
246.10362	6.0
246.14043	6.1
247.11183	6.6
247.14978	19.2
248.11867	5.4
248.15538	5.5
249.12839	12.9
249.16516	7.5
250.13554	3.3
251.14342	6.4
252.14952	3.2
253.10059	5.7
253.12338	2.9
254.10919	3.8
255.11899	3.9
256.12463	5.7
257.09683	3.3
257.13339	14.6
258.14035	12.3
258.87225	2.9
259.10974	7.2
259.12918	4.7
259.14978	9.6
261.12839	13.5
261.16367	11.8
262.13501	8.1
262.16718	4.0
263.10767	3.4
263.14328	9.2
263.17993	16.5
265.12164	4.8
265.15701	4.9
267.11661	10.9
268.12381	3.6
269.13199	9.3
270.14066	5.4
271.11093	12.2
271.14752	10.1
272.11969	5.5
272.15384	4.9
273.12653	9.4
273.16333	14.8
274.13568	7.7
275.14288	17.0
275.17197	3.6
276.15115	7.4
277.16086	12.8
279.13669	4.1
279.17188	2.4
282.14038	2.8
283.11121	4.2
283.14700	3.4
284.11972	7.3
285.09763	3.0
285.12729	15.3
285.16153	6.8
286.13492	8.3
286.16605	3.2
287.10852	5.1
287.14243	7.6
287.17697	6.8
289.12204	7.7
289.15808	14.5
290.12994	3.5
290.16434	4.5
291.13855	7.0
291.17429	34.2
293.15369	3.1
297.12738	6.8
297.16058	3.2
299.10962	4.5
299.14203	14.4
300.11493	4.0
300.15155	7.2
301.12595	4.6
301.15823	21.4
302.16403	3.4
303.13840	6.3
303.17224	5.3
305.11978	3.2
305.15421	6.7
305.18839	4.9
307.16965	5.3
309.18488	3.5
310.13632	3.8
311.14319	3.4
313.12125	9.6
313.15695	4.9
314.12964	4.5
315.13971	4.3
315.17401	19.3
317.11966	4.0
317.15329	14.0
319.16956	20.0
321.18417	5.3
323.16214	3.1
323.19861	5.7
327.13708	7.3
328.14615	6.8
329.15393	13.3
331.13260	4.6
331.16965	9.2
333.18481	19.1
335.16357	7.6
337.17984	8.0
342.16013	3.7
343.16986	37.0
345.14734	12.9
345.18604	5.6
346.15121	3.9
347.16455	11.0
347.20264	4.2
351.19479	3.8
353.15302	4.5
357.18594	15.9
359.16287	4.8
359.20157	5.3
361.17963	32.1
363.15390	5.8
365.17331	7.5
367.19177	16.5
371.16486	16.6
373.17923	7.3
375.15546	6.0
375.19525	18.9
379.19031	17.1
385.17899	27.9
389.17465	19.4
393.16299	4.1
393.20602	9.5
397.19919	3.9
403.19086	54.0
407.18369	21.0
411.21509	3.5
417.16943	5.3
421.20117	36.0
425.19748	7.1
427.02444	3.0
431.18436	3.0
435.17801	7.0
439.21268	12.3
449.19479	8.6
457.22089	8.5
463.21356	13.8
467.20877	6.9
481.21948	8.9
485.21451	7.8
499.23386	4.5
621.25494	3.3
663.30353	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	663.299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.1
55.01866	6.3
55.05303	4.8
55.05518	52.3
67.05498	13.2
69.03433	12.3
69.33388	19.2
69.33812	17.8
78.30084	3.9
79.05495	17.8
80.85710	4.2
81.03418	5.5
81.07041	13.3
83.04988	87.7
85.02894	5.3
91.05482	29.6
93.07047	19.0
95.04944	25.1
95.08618	8.1
97.06547	5.9
98.21514	8.1
101.02394	13.5
103.05482	54.4
104.05806	4.1
105.02945	3.4
105.03413	36.6
105.07036	35.8
106.03735	4.8
107.08629	12.0
109.02892	4.7
109.06515	16.1
111.04479	5.8
117.07036	13.8
119.08590	37.0
121.06552	8.8
121.10132	5.1
123.08062	12.8
127.03959	8.4
128.06264	7.2
129.07048	14.7
131.04936	100.0
131.08566	16.8
132.05232	10.7
133.06483	15.3
133.10139	24.9
135.08054	10.8
141.06941	5.7
142.07776	10.3
143.08574	24.2
145.06503	15.4
145.10152	14.9
147.08047	15.0
149.09628	14.6
155.08539	12.0
156.09357	10.1
157.10139	38.9
159.08057	18.9
159.11710	17.8
161.05989	14.7
161.09619	12.7
163.07556	11.3
165.06972	7.3
165.09143	4.4
166.07761	4.4
167.08620	7.2
168.09314	7.2
169.10118	27.2
170.10851	15.4
171.08037	9.9
171.11707	37.9
173.06039	4.6
173.09656	19.7
175.07552	7.1
175.11192	6.2
177.05522	6.4
177.09174	14.0
179.07091	7.7
179.08597	13.2
181.10165	20.0
182.10901	5.5
183.07994	5.3
183.11699	64.8
184.12257	12.7
185.09621	18.3
185.13342	23.1
187.07481	5.2
187.11195	7.6
189.05507	7.9
192.09344	9.4
193.10165	27.1
194.10892	13.5
195.08076	8.5
195.11688	24.7
197.09650	16.7
197.13274	9.8
198.10301	5.6
199.11203	27.4
200.11816	6.3
201.09154	4.4
201.12759	9.3
205.10175	8.8
206.10924	9.0
207.11725	40.2
208.12466	35.1
209.09642	12.0
209.13261	28.4
210.10512	6.1
211.11147	22.8
212.11693	4.3
213.09087	8.9
213.12772	31.1
215.10641	7.0
217.10190	12.0
218.10974	11.0
219.11726	14.9
220.12360	9.7
221.13281	44.8
222.10316	7.0
222.14063	12.8
223.07545	5.0
223.11172	14.9
223.14807	42.6
224.15570	9.8
225.12839	10.7
229.10295	5.6
229.12126	8.4
230.10855	9.2
231.11668	18.3
231.13768	9.3
232.12463	13.4
233.13286	21.0
234.13992	11.6
235.11206	15.9
235.14792	27.0
236.12007	9.7
236.15512	9.6
237.09087	5.9
237.12766	13.6
237.16389	63.5
239.14531	8.9
241.10249	6.4
241.12355	6.8
243.11711	12.1
244.12338	6.8
245.13394	10.5
246.13968	11.3
247.11191	15.1
247.14879	25.6
248.11855	10.6
249.12746	18.7
249.16510	11.0
250.13461	5.8
251.10727	5.6
251.14403	49.8
251.16936	6.3
251.17943	6.2
253.12369	9.8
253.15854	6.3
256.12433	7.6
257.13464	11.6
258.14038	10.7
259.11035	9.0
259.15170	8.5
260.11896	5.9
260.15335	5.2
261.12787	15.0
261.16388	20.0
263.14340	21.8
263.17880	8.8
265.12488	5.6
265.15860	25.3
267.13980	5.6
269.13281	8.2
270.10248	5.0
270.14096	5.9
271.14917	9.8
273.12869	8.7
273.16306	10.7
275.10626	5.3
275.14322	13.2
276.14734	4.8
277.15802	14.4
278.16669	5.7
279.13928	13.9
279.17450	37.9
281.15640	6.1
283.16901	7.6
285.12692	5.9
286.13278	6.5
287.14331	12.4
287.17798	6.7
288.14917	5.5
289.15869	20.3
291.14032	10.1
291.17337	10.6
293.15488	9.1
295.17038	9.3
299.14188	12.2
301.12354	4.8
301.15875	10.5
302.16498	6.1
303.17285	8.2
305.15332	10.6
305.18787	6.5
307.16946	31.1
309.15134	5.5
309.18497	5.1
310.13287	5.7
313.15622	5.6
315.14008	7.0
315.17426	7.8
317.15372	12.6
319.16959	13.7
321.18350	5.8
323.20209	5.0
325.18448	22.8
327.13617	6.9
329.15292	14.6
329.19012	6.6
331.16852	15.1
333.18655	6.7
335.16440	15.3
337.17847	13.7
343.16968	19.0
345.14859	7.6
345.18774	9.7
347.16272	16.6
347.20099	6.4
353.17465	8.0
357.18402	7.6
359.16364	9.8
361.17944	52.2
365.17502	15.4
367.15622	9.0
371.16434	6.6
373.18164	7.8
375.19485	12.1
379.19113	29.9
381.16730	8.2
385.17975	15.3
389.17511	56.1
390.17743	6.7
391.14853	6.3
391.19266	8.9
397.20007	13.3
399.17810	19.5
403.19003	32.7
407.18542	67.3
408.19028	5.3
417.16681	26.1
419.18445	6.0
421.20117	17.8
422.20584	6.3
425.19577	65.6
435.17691	28.7
437.19852	6.9
439.21198	19.0
443.20959	4.8
449.19354	8.5
453.18881	12.5
457.22238	42.5
463.21170	8.1
467.20673	18.3
473.21689	7.0
481.21985	6.0
485.21683	15.4
517.24268	8.3
531.25513	5.2
539.22937	8.9
563.27026	6.3
631.27301	8.1
645.29279	5.1
663.30530	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	663.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	8.9
55.01863	4.4
55.05515	30.4
55.57346	1.3
59.93633	1.2
67.05487	3.9
69.03423	2.4
69.99846	1.2
70.41243	1.3
70.45917	1.5
70.59560	4.2
77.03913	1.9
79.05485	8.4
79.55547	1.3
81.03411	4.4
81.07055	5.9
83.04984	43.2
85.02856	1.6
91.05485	16.4
93.07052	10.4
95.04973	12.9
95.08591	3.3
98.21526	1.4
103.05475	14.8
105.03400	100.0
105.04539	5.1
105.07030	22.2
107.04964	3.4
107.08591	7.3
109.06501	4.5
109.10084	1.5
112.38411	1.5
115.05465	5.6
117.07034	11.7
119.04915	2.4
119.08584	18.0
121.06504	2.5
121.10159	4.6
128.06229	5.3
129.07008	5.9
131.04936	24.3
131.08575	8.1
133.06473	7.4
133.10139	13.8
135.08086	7.4
141.06999	4.1
142.07764	5.2
143.08585	15.4
145.06503	10.2
145.10191	9.0
147.08067	10.6
147.11658	2.1
149.09644	3.5
151.03990	1.9
153.06993	2.4
154.07806	2.2
155.08528	6.9
156.09334	8.2
157.10152	17.1
158.49492	1.7
159.08067	6.2
159.11710	6.7
161.06017	9.8
161.09641	11.1
163.07501	7.5
166.07733	1.7
167.08607	3.1
168.09363	2.1
169.10147	11.2
170.10936	7.4
171.08054	6.2
171.11693	27.5
172.08850	2.5
173.05975	10.0
173.09636	10.9
173.13264	2.8
175.07561	6.5
175.11195	2.1
177.09128	5.1
178.07904	1.5
179.08606	1.8
181.10150	4.8
183.08119	5.7
183.11710	23.5
184.08844	2.7
184.12422	1.7
185.09583	6.1
185.13249	16.9
187.11197	6.0
189.05434	6.9
189.09138	3.5
191.06964	2.1
191.10689	1.7
193.10170	5.1
194.10869	3.6
195.08095	3.3
195.11714	5.8
197.09613	5.7
197.13222	7.1
199.07495	1.8
199.11212	15.8
200.11945	4.4
201.09125	3.2
201.12772	4.4
207.11720	5.6
208.12457	2.1
209.09702	3.4
209.13196	4.2
211.11151	6.0
213.09274	2.8
213.12727	17.7
215.08684	1.8
215.10678	2.7
217.08391	3.2
217.10133	4.5
217.12111	3.3
218.10971	3.0
219.11787	3.6
220.12488	3.4
221.09790	3.0
221.13313	7.6
222.14021	2.3
223.11198	4.0
223.14807	3.0
225.09090	3.1
225.12766	3.5
227.10567	3.7
229.10205	2.3
229.12222	4.5
230.10812	2.4
231.11748	3.5
231.13821	10.9
232.12392	3.0
233.13228	5.1
234.10313	2.3
234.13986	1.8
235.11166	2.1
235.14859	3.9
237.09081	2.1
237.12708	4.0
237.16452	2.1
239.10687	3.4
241.10161	2.0
241.12302	6.7
243.13861	3.0
244.12413	4.0
245.13239	5.4
245.15413	2.3
246.13907	3.0
247.11230	3.0
247.14713	4.7
249.12721	2.2
249.16382	3.0
251.10446	1.7
251.14262	3.3
253.12361	2.2
257.13321	3.1
258.14090	2.7
259.10934	3.8
259.13397	8.2
261.16354	2.3
262.13370	1.8
263.14297	2.4
269.13055	3.1
270.14038	2.0
271.14877	3.3
272.11728	1.7
272.15463	2.2
273.12689	2.9
273.16232	4.5
275.10788	1.6
275.14288	2.5
277.15985	2.3
279.14111	1.9
282.14099	2.0
283.14594	1.5
284.12024	1.8
285.12750	2.2
285.16565	2.9
286.17230	2.3
287.14313	6.8
287.17709	2.7
289.12085	2.0
289.15710	2.2
291.17380	2.7
295.14719	1.7
297.12836	1.7
297.16187	2.2
298.13690	1.8
299.14267	4.4
299.17813	2.0
300.15030	3.8
301.12329	2.7
301.15747	4.2
302.16675	2.2
303.13794	2.2
303.17136	1.9
305.15237	3.7
311.17896	2.7
313.15848	4.1
315.13718	3.4
315.17307	2.6
317.15488	2.7
319.16779	2.8
324.15161	1.9
326.16492	2.0
327.13773	3.5
327.17505	2.1
329.15256	2.3
329.18982	4.1
331.13144	1.9
331.16858	6.3
339.17395	2.0
343.16974	8.2
344.17865	1.8
345.14835	5.2
345.18552	2.6
347.16315	2.4
347.20108	3.6
355.17117	2.4
357.18536	12.7
359.20087	1.9
361.17999	4.0
363.15894	3.2
367.17099	4.1
373.17972	7.7
375.19608	18.1
385.18030	22.2
391.18924	2.8
393.20657	3.6
403.19086	46.5
421.20132	21.5
433.17514	3.4
437.20377	2.1
439.21475	3.0
442.14862	1.5
455.21326	1.8
456.16080	2.2
457.17496	1.8
459.15225	2.3
463.21378	9.2
469.17664	1.6
470.17712	4.1
474.17361	2.2
481.22028	5.5
485.23032	3.4
497.17096	1.8
498.17563	4.1
499.18042	8.3
503.24323	2.9
515.17773	2.7
516.18701	2.0
523.22992	2.9
525.23334	2.4
526.17078	2.8
530.19647	3.2
555.20477	1.8
558.19617	4.4
563.26251	4.3
571.21008	3.2
585.24225	2.6
589.21338	2.4
599.19659	8.9
603.24347	1.7
620.23242	3.2
621.23615	2.0
631.22650	45.6
645.28113	4.6
663.24573	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.3
53.03953	3.3
55.01868	2.9
55.05514	8.4
67.05511	3.5
69.07071	2.4
69.28654	2.0
69.29053	10.2
77.03937	1.6
79.05504	4.3
79.41697	1.2
81.03416	1.5
81.07062	3.1
83.04977	10.9
91.05485	9.8
93.07047	5.9
95.04953	7.9
95.08609	2.4
96.05293	1.5
97.06549	1.5
98.20735	2.7
98.89429	1.4
101.02399	1.8
103.05471	48.2
105.03401	5.0
105.07037	11.9
107.04941	4.4
107.08611	4.3
109.06551	3.1
109.10134	1.6
115.05446	2.9
117.07045	6.1
119.04938	3.2
119.08574	13.4
120.08887	1.7
121.06508	4.7
121.10178	2.4
123.04450	1.6
123.08089	2.0
125.02365	1.4
126.05521	3.5
128.06158	1.9
129.07018	3.5
130.07698	1.2
131.04938	100.0
131.08577	9.0
132.05299	4.4
133.06490	6.1
133.10141	5.7
135.04343	1.9
135.08121	3.4
137.02356	1.5
141.07028	1.7
142.07793	5.2
143.08557	9.1
145.06494	5.5
145.10114	8.2
147.08067	5.2
149.06088	3.0
149.09654	3.2
153.07054	1.9
155.08578	4.5
156.09351	6.0
157.10141	11.5
158.07283	1.4
159.08057	11.1
159.11679	5.9
161.05946	3.2
161.09653	4.9
163.07556	1.7
165.07028	4.1
167.08588	2.8
168.09392	1.9
169.10196	5.0
170.10858	3.7
171.08063	4.6
171.11703	13.9
172.08769	1.8
172.12172	1.9
173.05994	2.4
173.09653	8.8
173.13286	3.5
175.07591	4.8
175.11176	1.8
177.05495	2.2
177.09190	3.5
178.07784	1.6
179.07095	2.3
179.08562	3.2
180.09412	3.2
181.10136	4.0
183.08046	4.2
183.11676	14.9
184.08788	2.7
184.12222	2.9
185.09651	4.8
185.13274	5.0
187.11160	3.2
189.05478	1.9
189.09143	4.2
191.08626	1.6
191.10638	2.3
192.09396	2.3
193.10126	3.2
194.10913	1.5
195.08043	2.1
195.11659	9.2
196.12250	1.5
197.09604	6.7
197.13304	4.8
198.10327	2.4
199.07518	2.3
199.11177	9.9
200.11908	2.2
201.09119	2.7
201.12738	10.9
203.10712	2.2
205.10239	2.1
206.10751	1.5
207.11726	9.4
208.12453	2.3
209.09673	4.7
209.13232	4.9
210.10452	2.6
211.11163	5.7
213.09259	3.1
213.12769	5.1
215.10652	4.4
217.10352	2.4
217.12253	2.4
218.10904	2.3
219.11749	3.2
220.12436	3.1
221.09596	1.9
221.13245	5.1
223.11198	5.3
223.14789	3.5
225.12726	6.3
227.10698	3.6
229.12276	2.8
231.11691	5.3
231.13702	2.4
233.09587	3.2
233.13304	3.6
234.14024	1.5
235.11150	3.2
235.14886	4.3
237.12762	4.2
237.16389	5.5
239.10817	2.9
241.12262	9.5
243.11806	2.2
243.13947	3.1
244.12344	2.6
245.13570	2.4
246.14061	1.8
247.11201	3.7
247.14882	3.1
249.12706	2.8
251.14346	3.5
253.12283	2.4
255.11703	1.6
256.12479	1.8
258.13931	2.8
259.13004	6.5
261.12759	2.7
261.16458	1.8
262.13644	1.6
263.14520	2.4
265.12320	1.7
265.15921	3.7
267.11539	1.7
273.16507	1.6
275.14359	2.5
276.14908	1.5
277.16043	1.9
279.13788	2.1
279.17389	1.8
284.15390	1.6
286.13516	2.0
287.14426	1.6
290.12503	1.4
291.13589	1.4
291.17319	2.7
293.15396	2.7
295.17105	2.2
301.14572	2.4
302.16446	1.6
307.16956	4.7
309.18549	1.7
314.12997	2.2
315.13855	1.9
315.17310	2.0
317.15564	2.4
319.16797	5.9
322.19122	1.5
329.15421	1.6
331.16656	3.9
333.18420	1.8
335.16461	3.3
337.17267	3.0
343.16641	4.3
344.17380	2.5
347.16412	3.4
349.17865	2.2
357.18344	1.7
359.16333	3.5
361.18176	2.9
363.19849	1.6
365.17593	2.6
371.16449	1.8
373.17984	3.2
375.19733	1.8
377.17453	2.3
379.19067	4.3
389.17508	5.3
391.19363	3.1
395.18478	2.3
397.20001	2.7
401.17316	3.2
403.18704	2.9
407.18594	6.4
408.18750	2.2
419.18719	12.2
421.20325	2.4
422.20276	2.0
423.21686	2.1
425.19730	4.3
433.17444	1.6
437.19751	9.6
439.21234	1.7
440.21399	1.8
446.17801	2.9
449.19614	1.6
456.16406	1.5
457.22241	1.9
458.18015	2.0
459.15277	5.6
467.20480	1.6
468.21097	2.0
471.19046	1.6
473.17206	1.7
474.17590	8.6
479.20950	6.7
485.21771	1.4
497.21661	6.9
499.18277	2.6
533.22260	3.0
543.24200	1.7
558.20032	2.7
560.22455	1.9
561.22009	20.9
589.21521	2.4
590.50806	1.3
613.29272	1.7
621.24152	27.8
627.25702	7.2
631.22595	4.9
663.24683	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	663.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.2
53.03952	12.1
55.01859	6.7
55.05513	26.7
55.78922	2.3
65.51697	2.3
67.05491	8.5
69.03420	3.9
69.07092	2.9
70.48457	2.3
71.49200	2.0
71.54681	2.9
71.55071	4.4
71.93255	2.3
77.03925	2.8
79.05486	10.5
81.03420	7.0
81.07059	7.7
83.04989	40.7
85.02888	4.2
85.06499	2.7
86.49081	2.4
91.05484	19.3
93.07040	9.7
95.04958	22.0
95.08604	3.7
95.80708	2.2
97.06543	5.2
103.05466	17.1
105.03396	100.0
105.04523	5.7
105.07050	20.4
107.08598	8.8
109.06490	4.4
111.39855	2.4
115.05483	6.2
117.07035	7.6
119.08598	28.1
121.06508	5.9
123.04393	3.1
128.06235	5.8
129.07007	8.3
131.04922	31.3
131.08578	20.4
132.05254	4.8
133.06465	4.1
133.10132	11.5
135.08107	5.5
135.29871	2.3
137.05948	2.9
141.06979	4.1
142.07794	5.6
143.08554	9.3
144.05658	2.2
144.09315	3.3
145.06464	5.4
145.10123	10.1
147.08055	12.6
147.11740	2.7
149.09645	4.0
155.08556	6.7
156.09274	3.6
157.10141	18.0
159.08070	34.3
159.11703	6.3
161.05917	4.6
161.09613	5.7
163.07559	4.2
165.07018	4.2
166.07782	3.1
167.08620	5.3
168.09160	3.1
169.10106	19.8
171.08119	3.5
171.11699	13.9
173.09628	17.4
175.11115	2.6
177.09131	3.5
179.08568	4.4
180.09317	4.9
181.10153	6.8
183.08148	3.0
183.11743	16.9
185.09657	5.8
185.13261	6.0
187.11177	4.1
189.05444	3.7
192.09348	4.7
193.10097	12.3
194.10857	4.6
195.11716	10.2
197.09639	8.3
197.13283	4.6
199.11188	8.6
201.09332	2.9
201.12694	3.5
203.08665	3.4
204.09358	2.8
205.10179	5.2
206.10956	7.7
207.11739	12.1
208.12378	3.9
209.09778	4.1
209.13281	6.9
211.11240	5.4
211.14717	3.8
213.12799	5.5
215.08618	3.1
215.10716	9.1
217.10178	5.8
218.10927	4.2
219.11702	6.3
219.13672	2.9
220.12399	6.5
221.09630	2.9
221.13335	11.6
222.14001	3.1
223.11063	7.3
223.14804	5.8
225.12831	3.7
229.10150	6.0
229.12190	5.3
230.10869	3.5
231.11717	10.1
232.12428	3.7
233.09644	3.9
233.13237	8.0
234.10429	3.1
235.11200	2.7
235.14893	10.7
236.15709	2.8
237.12671	3.6
237.16397	9.7
239.10681	2.6
243.11697	8.7
244.12447	5.5
245.13280	9.7
246.10382	3.1
246.14037	4.2
247.14723	8.1
249.12869	3.5
251.14386	3.2
253.12343	2.8
253.16093	2.5
256.12433	3.9
257.13284	10.1
258.13809	3.2
259.11136	5.1
259.14853	8.7
260.15424	2.8
261.12738	5.4
261.16501	3.0
266.10727	2.7
267.11584	3.0
269.13443	4.9
270.14069	4.4
271.14896	12.2
272.15594	4.3
273.16287	2.9
281.13141	6.4
281.15799	3.3
282.13953	4.3
283.14789	5.0
285.12860	4.7
285.16348	4.5
286.17184	4.1
287.14395	7.8
289.15924	3.7
291.13968	2.8
296.15747	3.7
297.16479	5.0
298.13657	3.4
299.14435	5.9
301.15915	3.8
301.19559	3.0
303.17197	3.0
311.17899	4.2
313.12350	4.2
313.15955	5.8
315.13956	5.0
315.17508	8.5
317.15457	4.0
319.13388	3.7
321.14841	5.4
327.13773	3.2
327.17450	4.1
329.15494	3.8
329.19000	14.5
331.16934	3.2
339.17575	7.3
342.15921	3.9
343.16968	2.9
345.14914	6.9
347.20050	10.0
357.14554	3.9
357.18530	43.5
359.16251	5.7
361.18063	3.5
367.17133	3.2
370.15308	3.0
373.17871	6.7
375.15097	4.3
375.19522	52.8
377.17276	4.5
385.17975	26.9
393.20593	8.3
403.19122	43.3
417.19617	3.0
421.20041	15.4
463.21274	18.2
481.22107	5.2
523.22949	6.2
663.28223	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	662.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.5
53.03930	3.7
55.01860	0.9
55.05517	15.2
57.03442	6.6
57.07074	1.2
65.03927	3.4
67.05507	73.0
69.03419	1.0
69.07068	15.6
69.80515	1.5
69.80929	3.7
71.04989	4.5
71.08607	0.9
79.05497	54.9
81.07060	64.6
83.04987	2.3
83.08620	11.2
85.06536	2.9
87.04462	6.4
91.04911	1.5
91.05484	43.4
93.07046	62.5
95.04967	4.6
95.08613	42.0
97.06547	4.8
97.10149	3.5
99.08124	1.4
105.04487	1.4
105.06393	1.5
105.07037	22.3
107.08599	29.4
109.06480	2.7
109.10155	10.5
111.08066	3.8
113.09626	1.1
117.07030	10.3
119.08584	20.9
121.10147	64.5
123.08037	2.5
123.11703	3.0
125.09635	2.2
129.06995	3.6
131.08566	13.9
133.10129	19.8
135.08089	1.9
135.11705	30.6
137.09587	2.6
137.13194	0.9
139.11169	1.4
143.08585	2.1
145.10123	11.8
147.11681	13.6
148.32381	0.9
149.09518	1.4
149.13260	7.8
151.11128	2.0
157.10117	3.5
159.11696	9.0
161.13272	7.9
161.35426	0.8
163.11151	3.1
163.14767	1.4
165.12779	1.1
168.82910	1.0
171.11673	3.4
173.13235	4.3
175.14793	2.2
177.12775	4.1
179.14247	1.4
181.12192	1.9
185.13261	4.0
187.14786	1.5
191.14432	1.4
195.13853	1.8
199.14835	1.9
202.04375	1.0
235.16943	1.3
241.19563	6.4
257.18982	3.0
259.20572	21.5
261.22198	2.0
275.20047	2.5
277.21634	18.8
302.99561	1.0
315.23325	3.2
321.24170	1.0
331.22534	1.1
333.24234	24.7
335.25748	1.4
349.23792	2.8
351.25290	100.0
352.25653	1.7
591.43176	1.2
609.45251	9.3
627.46149	40.5
628.46179	2.0
662.45343	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.6
54.93426	1.6
54.95459	1.5
55.05272	1.5
55.05510	20.2
57.03439	12.6
57.07055	3.0
58.95700	1.7
64.11133	1.5
65.03940	4.1
67.05507	87.1
67.71736	2.4
69.03429	1.8
69.07071	18.3
70.98117	1.5
71.04975	6.8
79.05495	87.6
81.07060	86.1
83.04980	4.9
83.08624	8.5
85.06530	3.8
87.04455	3.4
91.05486	69.9
93.07045	100.0
95.05000	8.0
95.08614	53.9
97.06519	7.3
97.10143	3.5
98.20768	3.5
99.08087	3.1
105.04494	2.9
105.07035	46.4
107.08599	40.0
109.06583	3.1
109.10147	15.4
111.08086	6.6
117.07020	23.8
119.07799	2.5
119.08583	33.7
121.10150	69.5
123.11678	3.7
125.09633	2.2
129.06990	5.9
131.08568	26.3
133.10138	34.9
135.08031	2.2
135.11688	37.8
143.08525	8.7
145.10121	19.6
147.11691	18.1
149.13255	9.9
151.11238	2.2
157.10146	9.1
159.11700	16.7
161.13229	11.5
163.11206	2.3
163.14799	3.4
171.11736	8.8
173.13249	7.0
175.14743	4.5
175.86021	1.7
177.12755	5.4
183.11777	1.9
185.13281	6.7
192.04126	1.7
195.13792	2.0
199.14822	3.7
207.47432	1.8
213.16315	1.7
220.70316	1.9
239.17989	1.9
241.19611	9.9
257.19058	3.3
259.20609	24.4
261.22195	3.8
275.20157	2.3
277.21692	15.2
312.90430	1.7
313.81549	1.9
315.23209	1.8
331.22592	3.1
333.24252	26.5
335.25925	11.8
349.23605	2.7
351.25314	84.3
609.45123	15.3
627.46124	23.7
663.42120	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	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01859	1.6
55.05267	1.2
55.05515	13.2
57.03446	8.6
57.07072	1.9
65.03925	3.0
67.05508	72.4
68.18138	0.8
68.42606	0.7
69.03439	0.9
69.06732	1.1
69.07073	16.2
70.80029	1.7
71.04977	2.6
79.05499	54.5
81.07063	62.1
83.04971	2.5
83.08627	10.4
85.06543	3.0
91.05486	36.5
93.07051	60.2
95.02558	0.8
95.04958	3.8
95.08611	38.1
97.06523	5.2
97.10146	3.0
99.08094	1.7
105.04499	2.0
105.06383	1.5
105.07036	19.6
107.08604	23.0
109.06502	2.2
109.10158	10.0
111.08089	4.2
117.07050	9.2
119.07806	1.3
119.08590	18.2
121.06519	1.3
121.10150	61.9
123.08031	1.5
123.11709	2.5
125.09636	1.0
125.39057	0.8
129.07024	2.3
131.08566	11.6
133.10133	15.2
135.10686	1.7
135.11700	32.9
137.09636	1.7
143.08551	2.3
145.09221	0.8
145.10158	8.8
147.11691	12.4
149.09592	2.0
149.13255	6.5
151.11171	1.3
157.10095	2.7
159.11681	7.9
161.13313	6.3
163.11179	2.6
171.11700	5.3
173.13246	4.1
175.14810	3.3
177.12752	4.5
181.12254	1.3
183.11665	1.3
185.13194	1.7
195.13739	1.9
213.16229	1.3
241.19565	5.6
257.19028	1.8
259.20593	17.3
261.22272	1.1
275.20148	1.9
277.21613	15.9
315.23260	4.0
319.61264	0.8
331.22687	1.0
333.20413	1.5
333.24292	22.3
334.24472	0.8
335.25879	2.0
351.25311	100.0
352.25607	1.4
480.87836	0.8
609.45074	7.4
627.46204	22.1
649.48914	0.9
652.26392	1.0
693.16217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.0
55.05510	24.3
57.03425	11.8
57.07068	10.0
59.74889	2.7
67.05508	100.0
69.07075	27.3
70.26869	2.7
70.84285	3.7
71.04990	3.4
71.32367	7.4
79.05499	72.0
81.03417	4.6
81.07063	91.4
83.04962	3.3
83.08631	19.6
87.04479	50.7
91.05480	72.3
93.07050	68.5
95.04965	7.6
95.08607	63.2
97.06544	12.5
97.10189	5.8
99.08085	3.8
105.07032	46.4
107.04937	4.5
107.08604	45.3
109.10165	25.2
111.08069	7.5
117.07030	17.3
119.08592	29.2
121.10139	41.5
123.08052	4.4
123.11714	4.0
129.06985	5.2
131.08566	34.0
133.10159	23.2
135.11685	24.8
143.08578	7.5
145.10124	17.0
147.11691	13.0
149.13245	12.4
157.10146	7.0
159.11674	10.2
161.13220	7.1
163.11203	3.9
169.10190	3.5
171.11722	3.9
173.13300	7.2
177.12683	4.6
185.13234	3.2
232.69098	3.3
255.15831	5.3
257.19058	5.5
259.20538	7.0
261.22079	4.4
269.17526	5.4
275.19989	18.2
277.21774	7.9
279.23398	4.5
333.24292	4.1
335.25867	37.5
349.23831	40.4
351.25256	19.3
353.26859	44.0
515.37238	4.8
529.38910	28.7
606.28467	5.0
609.44751	9.1
627.36731	5.6
627.46234	80.9
662.44897	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	662.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01859	2.1
55.05508	4.5
56.05039	1.2
57.03421	0.7
62.06081	1.1
67.05512	5.3
69.03426	4.2
69.07077	3.7
70.06585	2.6
71.04977	1.3
71.08640	5.9
72.08153	4.8
79.05493	4.2
81.03411	4.6
81.05800	0.7
81.07063	6.1
83.04969	5.3
83.08598	1.0
84.08148	2.1
85.02895	3.6
86.06071	27.7
86.06599	1.3
87.04487	1.1
91.05482	9.5
93.07047	8.1
95.04974	3.1
95.08608	15.9
96.08139	7.8
97.02893	2.7
97.06525	0.9
98.06059	2.4
98.09692	13.4
99.04455	3.1
99.08102	3.7
103.05478	3.5
105.03395	8.1
105.07030	4.4
107.08593	3.1
108.08125	3.2
109.02885	2.4
109.06513	1.6
109.10170	3.9
110.09641	1.1
111.59698	0.7
112.07598	0.9
114.09117	1.8
116.10737	69.5
117.07020	3.5
119.07784	1.4
119.08594	14.9
121.06526	1.6
121.10162	1.9
122.09680	2.4
123.04350	1.0
123.08030	1.4
124.07583	1.8
126.05535	1.9
126.09159	1.5
127.03894	2.1
128.06216	0.8
129.07022	1.6
131.04918	7.7
131.08545	2.7
133.10109	2.7
135.04404	0.7
135.08063	1.6
136.11145	0.8
137.06033	0.8
137.09613	9.1
140.10693	2.1
142.08679	5.7
142.12279	2.4
143.08539	2.6
143.10696	6.5
145.06491	1.4
145.10126	2.5
147.08046	4.2
149.09631	1.8
151.07535	1.2
152.10796	1.2
154.15935	3.7
155.08574	1.6
155.10600	0.9
156.09319	2.5
157.10135	4.0
159.08060	1.5
159.11707	2.0
161.05980	1.2
161.09610	1.1
163.07545	2.0
165.09142	3.0
166.15918	2.2
167.08543	1.1
168.17564	0.9
169.10135	2.0
170.10786	1.6
171.11722	4.8
172.12102	1.3
173.09549	1.4
177.09138	1.1
178.12315	1.0
178.15924	0.9
181.12292	1.1
183.08122	1.1
183.10281	0.9
183.11700	4.4
183.13785	1.1
184.12169	0.9
185.09593	1.0
185.13226	2.0
187.11194	1.4
190.12267	1.3
191.06880	0.9
193.10091	1.0
196.16945	8.0
197.09576	1.0
197.13292	1.0
199.11133	1.9
201.09184	1.2
206.11815	2.8
207.11699	1.1
208.13362	1.1
209.11679	1.1
211.11153	2.0
213.12773	4.2
214.18031	100.0
220.12379	0.8
229.12398	0.8
230.10944	0.9
231.13840	1.0
234.18121	0.7
236.20021	1.1
237.12711	0.9
245.11490	0.8
245.15530	0.8
247.11079	1.1
254.21060	5.8
256.19101	6.6
259.15063	1.2
261.12759	1.3
261.16196	1.2
263.14313	1.1
263.85556	0.7
273.15369	1.0
279.13998	0.9
280.19159	8.2
298.20139	2.7
301.11777	0.7
316.21228	1.4
332.17456	1.3
336.25214	1.0
338.17722	0.8
340.21274	1.6
357.19052	0.8
358.22305	1.2
373.18167	0.9
374.17853	0.9
396.27460	0.9
403.19022	2.4
421.19913	1.4
424.23370	7.0
442.24313	5.3
456.29688	1.1
460.25458	32.5
478.26373	6.5
488.23230	0.8
522.30768	4.7
540.31458	4.2
558.32764	36.4
564.30157	40.7
576.33667	6.7
644.36566	6.9
662.27374	1.6
662.37549	20.8
680.05841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01867	2.1
55.05512	10.7
56.05023	1.0
56.70580	1.1
57.03429	1.6
67.05516	10.5
69.03426	6.3
69.07063	4.2
70.06581	3.8
71.07397	1.5
71.08623	4.3
71.55824	1.8
72.08147	4.7
73.02901	1.2
74.09722	1.4
78.34570	1.2
79.05500	6.2
81.03429	7.3
81.07066	9.3
83.04999	10.0
84.08140	2.8
85.02911	7.0
85.06494	1.2
86.06074	50.0
87.04462	1.3
91.05486	14.3
92.56802	1.1
93.07044	11.6
95.04949	4.0
95.08617	19.5
96.04485	2.0
96.08147	11.9
97.02901	3.7
97.06520	2.2
98.06038	1.8
98.09701	16.4
99.04463	5.1
99.08079	2.1
100.07588	2.1
100.27299	1.0
101.33600	1.2
103.05476	3.2
105.03397	5.3
105.07043	6.1
107.04949	2.4
107.08574	3.5
108.08114	4.4
109.02870	4.3
109.06529	1.9
109.10180	6.6
114.09171	3.4
115.83969	1.0
116.10741	100.0
117.07018	2.4
119.04939	1.2
119.08578	22.0
121.06494	2.1
121.08919	1.3
121.10152	2.5
122.09652	3.3
123.08080	2.4
124.07587	3.8
127.03915	3.3
128.06226	1.5
129.07027	2.0
131.04912	3.5
131.08560	2.9
133.06500	2.7
133.10138	2.9
135.08076	3.2
135.11684	1.0
137.09612	15.2
138.09076	1.6
140.10654	2.4
142.08646	10.5
142.12285	4.1
143.08559	3.6
143.10686	10.4
145.06468	1.5
145.10110	2.1
147.08029	7.6
147.11632	1.0
149.06042	1.4
149.09650	2.1
152.10735	1.4
155.08553	2.2
155.10666	1.4
156.09299	3.0
157.10132	4.9
159.08054	2.0
159.11737	3.5
161.05988	2.5
161.09572	2.0
162.06313	1.6
162.09129	1.2
163.07532	3.3
165.09108	5.4
169.10149	3.3
170.10767	1.4
171.11748	7.2
173.09605	1.7
173.13348	1.6
178.12204	1.4
181.12141	1.0
183.11696	6.2
183.13640	1.3
185.09528	1.5
185.11719	1.4
185.13242	2.9
186.11382	1.6
193.10028	1.5
195.11772	1.7
196.16983	2.0
197.09645	1.6
198.10260	1.3
199.11165	2.0
206.11725	2.3
207.11711	2.5
209.11606	2.0
211.11163	2.3
213.12708	1.5
214.18016	16.1
219.11647	1.4
221.13278	2.4
224.12926	1.8
229.12248	1.3
231.11681	1.6
231.13751	1.5
232.12431	1.4
233.13225	1.6
234.18562	1.2
235.14713	2.0
236.20102	3.0
237.16452	1.4
238.18050	2.9
243.11768	1.3
244.12395	1.4
245.13336	1.2
247.14922	1.6
249.16289	1.1
254.21190	12.9
256.19122	11.6
277.15695	1.2
280.19092	13.3
284.11884	1.2
287.14270	1.9
298.20074	4.0
301.15775	2.3
316.21320	1.9
319.17087	1.3
329.15323	1.5
336.25244	1.7
343.16806	1.6
347.16254	1.2
358.22354	2.0
361.18085	2.9
379.19022	2.4
382.21997	1.2
392.19101	1.1
396.27643	1.3
403.18927	1.9
406.22458	1.6
407.18405	1.6
424.23438	11.4
439.21243	1.6
442.24350	10.1
460.25418	56.2
467.20084	1.7
478.26666	10.0
498.31030	1.1
522.30780	4.9
524.76923	1.1
540.31891	5.5
544.21777	1.5
558.32758	54.4
559.32318	1.3
564.30188	66.7
576.33844	8.9
600.81879	1.2
607.83136	1.3
617.22412	2.2
644.25183	3.5
644.36151	10.2
662.27264	2.4
662.37445	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.8
55.01876	23.6
55.05505	7.1
57.03449	5.2
59.04995	2.9
67.05495	12.9
69.03422	9.3
69.07062	5.0
79.05499	20.1
81.03420	10.7
81.07054	13.6
83.05009	3.9
85.02873	3.7
87.04453	3.2
89.34837	2.8
91.05480	31.5
91.26594	2.6
93.07053	14.8
95.01324	3.4
95.04971	18.1
95.08604	9.8
97.06541	3.2
103.05447	6.9
105.02718	4.0
105.03399	54.2
105.04485	5.3
105.07050	27.1
107.04952	10.0
107.08594	12.8
107.49285	2.7
109.06489	3.6
109.10143	4.3
115.05446	12.0
117.07021	22.6
119.08598	41.0
121.06510	8.6
121.10147	10.6
123.07981	3.3
128.06229	9.8
129.07018	30.0
131.04959	8.5
131.08554	23.9
133.06511	4.2
133.10152	38.0
135.08051	9.7
141.06996	6.2
142.07809	13.6
143.08623	23.1
145.06509	20.0
145.10133	26.1
147.08063	100.0
147.11668	3.7
149.09612	11.2
155.08540	11.9
156.08141	3.1
156.09320	16.3
157.10133	49.9
158.07259	3.3
159.08069	39.2
159.11681	18.9
161.09641	49.3
163.07556	59.2
163.11163	10.9
166.07805	4.4
168.09358	3.9
169.10143	17.2
170.10927	14.6
171.08047	10.0
171.11703	73.7
173.05975	6.6
173.09669	33.6
173.13309	10.0
175.07532	21.9
175.11148	7.6
177.09102	3.3
181.10124	4.9
182.10918	6.0
183.11705	45.6
185.09677	16.2
185.13289	59.3
187.07593	4.9
187.11171	10.9
189.09102	8.9
195.11674	11.6
197.09645	10.8
197.13234	11.3
198.10431	6.6
199.11102	24.3
201.09137	13.8
201.12782	9.4
203.10715	7.4
205.12270	6.1
206.10976	4.9
207.11684	8.2
208.12643	3.4
209.13280	6.4
211.11177	10.8
213.09006	3.2
213.12752	50.9
215.10655	5.5
215.14314	5.6
217.12296	7.0
221.13248	7.0
223.11076	7.3
223.14746	4.3
225.09044	3.9
225.12758	4.5
227.10637	6.7
229.12189	6.5
229.14282	4.1
231.11742	5.0
231.13799	10.6
233.13391	4.1
241.12218	21.4
243.13927	7.8
245.11440	4.4
245.13368	2.2
245.15384	48.4
247.11243	4.9
249.12703	3.1
255.13889	14.4
257.15500	4.7
259.13165	17.5
261.14923	3.5
263.14029	3.7
263.16434	6.4
270.13922	3.3
271.13596	2.8
273.12521	3.8
273.14908	39.4
275.14175	5.6
279.14178	3.2
285.12692	4.9
287.14261	6.9
291.15994	6.0
297.12759	6.3
301.15945	6.1
303.17343	3.5
305.15323	3.8
312.14926	5.2
313.15900	7.2
315.17499	6.8
317.19061	7.9
327.14011	3.4
327.17337	14.9
331.20410	4.3
333.18433	4.4
341.19083	16.8
345.18488	11.0
346.19489	3.5
357.18646	4.9
359.20035	11.2
369.18576	7.1
377.21149	4.8
387.19672	24.7
389.20892	10.1
391.22665	10.0
401.21140	30.9
405.20627	5.2
407.22290	11.0
419.22192	69.1
437.23364	21.0
523.24902	5.1
527.23926	3.5
541.25732	9.7
559.26654	6.4
596.18085	3.0
613.28314	19.8
627.29333	11.5
645.30408	13.5
662.29584	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	662.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54381	2.9
55.01886	14.9
67.05510	3.5
69.03435	4.9
71.54898	3.6
79.05495	9.8
81.03428	7.1
81.07050	4.5
90.31399	3.2
91.05495	19.4
93.07035	6.6
95.04967	10.7
103.05475	59.2
105.03403	20.4
105.07030	15.7
107.04987	5.4
107.08589	6.6
108.04492	7.3
115.05438	7.3
116.86398	3.0
117.07036	17.6
119.08623	23.0
121.10089	4.3
128.06252	5.7
129.07036	21.1
131.04932	100.0
131.08556	16.6
133.06520	5.7
133.10115	14.1
135.08040	7.3
142.07816	3.9
143.08582	14.7
143.23758	3.1
145.06500	10.1
145.10112	15.7
147.08049	64.7
149.09624	7.7
150.35538	3.2
151.21045	3.4
155.08546	7.7
156.09354	9.4
157.10133	26.9
159.08104	26.5
159.11717	22.0
161.09583	22.5
163.07529	43.2
165.07103	3.7
167.08588	3.7
169.10213	7.0
170.10927	9.9
171.08122	4.1
171.11711	39.4
172.08926	3.6
173.06035	4.4
173.09633	15.8
173.13309	6.5
175.07535	15.8
177.08989	3.2
180.09312	3.8
183.07936	4.1
183.11717	26.9
185.09633	8.9
185.13275	32.3
187.11272	6.2
189.09160	4.1
189.12759	3.6
195.11659	7.8
197.09631	4.4
197.13260	4.5
199.11212	14.6
201.09151	3.9
201.12791	6.8
207.11731	5.3
207.33087	3.1
210.44070	3.4
211.11203	6.8
213.09187	3.3
213.12770	26.2
215.10672	3.0
223.11119	3.4
229.12172	7.0
231.13844	8.8
239.75052	2.9
241.12300	12.3
243.13876	4.7
245.15340	23.6
251.14491	3.1
255.13771	7.9
257.15497	4.0
259.13297	8.7
263.16476	8.6
273.14874	18.3
287.14261	4.2
291.16013	3.7
315.17438	5.6
317.19073	4.4
327.17334	5.5
331.20810	5.2
333.18271	4.2
341.18973	5.7
341.36966	3.8
345.18539	8.5
347.20114	3.9
359.20053	8.9
375.19556	4.8
377.21188	3.6
387.19489	10.4
389.20932	5.5
391.22437	6.0
401.20969	16.1
405.20496	4.3
407.22256	9.3
409.24182	4.2
419.22076	40.9
437.23306	11.4
517.89337	3.8
613.27924	9.3
627.29333	5.0
645.30457	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	662.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
54.40095	1.3
55.01867	2.5
55.05499	1.4
67.05493	2.1
69.72222	1.5
70.06579	3.0
74.06080	3.6
75.08175	1.4
79.05483	3.6
80.05016	1.7
81.07062	3.9
82.02952	7.4
82.06576	1.7
82.70202	1.3
83.04974	3.4
86.06034	1.4
87.47115	1.3
87.78522	1.3
91.05468	6.3
93.07046	4.8
95.04975	3.6
95.08600	2.0
98.06070	9.2
98.20807	3.7
101.03220	1.4
103.04791	2.7
103.05473	44.1
105.03384	1.8
105.07040	8.4
107.04954	2.2
107.08582	4.6
110.06045	1.4
115.05450	3.0
117.06989	5.6
119.08595	8.0
121.06432	1.5
121.10136	2.5
122.06047	1.4
123.08012	2.4
126.05527	75.6
128.06216	1.8
129.06998	4.8
131.04939	100.0
131.08591	7.7
133.10129	8.7
135.08040	4.6
136.06166	3.1
143.08511	6.8
145.06435	3.9
145.10124	4.8
147.08034	2.0
147.11667	1.6
149.09631	2.9
155.08539	4.4
156.09302	4.8
157.10124	11.3
158.74675	1.3
159.08072	6.8
159.11649	6.7
161.09619	5.4
169.10124	5.1
170.10931	2.3
171.08049	2.7
171.11705	14.5
173.09621	4.6
173.13266	3.2
175.07574	1.9
178.12267	2.0
179.08575	1.5
179.10651	6.5
181.10095	3.2
183.08064	2.0
183.11713	26.1
185.09653	2.5
185.13278	11.7
187.11194	4.4
187.14880	1.4
187.55890	1.3
188.10634	7.6
189.12782	1.5
191.10544	2.1
193.10161	2.7
195.11719	3.3
197.09586	2.5
197.13167	1.6
199.11162	5.1
200.10619	2.0
201.12703	4.5
202.12343	1.6
204.10161	4.7
206.11795	37.2
207.11673	4.9
208.12399	1.8
211.11224	1.6
213.12741	10.5
215.14331	2.1
217.10236	2.1
217.12157	1.9
218.11867	7.2
219.11687	2.8
220.13220	5.8
221.13329	3.4
222.11224	4.6
229.12170	2.3
230.11179	1.9
231.11707	2.5
231.13823	3.8
232.09679	4.2
233.13297	2.8
234.10890	1.8
235.11148	1.8
235.14928	2.3
237.12622	2.5
243.11501	1.8
243.13826	3.5
244.13196	3.8
245.13206	2.8
245.15410	3.1
246.14046	2.0
247.14893	3.2
248.15404	1.9
249.12802	1.6
249.16478	2.3
256.13232	2.3
258.14627	2.7
259.15155	3.4
261.12546	1.6
261.16537	2.2
263.14194	1.9
263.18030	1.7
273.14825	3.9
275.14160	2.1
289.15961	2.4
309.17047	4.4
319.16650	1.7
336.15866	3.2
359.65298	1.4
374.21198	3.2
376.22919	3.1
386.21347	1.9
388.22845	1.5
400.22476	1.9
404.22064	2.8
416.22241	6.4
418.23596	5.9
428.22049	5.7
434.23190	1.9
446.23260	9.2
448.24786	4.5
453.62506	1.3
460.24878	3.8
464.24506	10.2
465.24701	1.6
466.25479	2.4
478.26324	6.8
482.25278	9.0
496.27161	8.9
514.28003	4.5
542.34363	1.3
594.28546	2.0
608.29742	1.8
612.29395	3.9
626.30640	2.8
630.30505	22.1
644.32330	13.5
646.12720	1.6
662.33398	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	662.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.8
55.05516	53.1
61.85005	4.7
67.05479	6.2
79.05489	15.7
81.07059	9.7
83.04984	77.3
91.05489	28.1
93.07030	8.6
95.04967	23.7
95.08624	9.7
97.06559	4.5
98.20742	10.3
103.05479	62.2
104.05810	10.5
105.03379	16.6
105.07039	56.3
107.04954	5.7
107.08578	11.6
109.06496	11.4
115.05449	12.4
117.07018	21.5
119.04906	6.2
119.08583	79.6
121.06495	11.7
123.08030	6.7
128.06198	4.7
129.06985	12.9
131.04025	7.1
131.04942	100.0
131.08577	30.1
132.05264	28.8
133.06503	24.6
133.10130	23.5
135.08040	10.2
135.82573	4.0
138.49092	4.3
138.85368	4.3
139.65952	4.1
141.06966	5.3
142.07817	8.0
143.08560	27.3
145.06480	11.2
145.10152	22.0
147.08028	19.3
149.05974	9.0
149.09592	14.9
153.06941	5.3
155.08504	12.7
156.09293	17.2
157.10133	61.6
158.07266	5.7
158.10616	5.5
159.08067	25.3
159.11722	48.7
161.06015	39.6
161.09636	13.5
163.07516	15.5
165.06879	7.4
169.10129	36.8
170.10855	16.2
171.08075	13.3
171.11685	54.7
172.08717	5.1
172.12083	11.8
173.05931	7.2
173.09634	19.7
173.13268	7.7
174.09991	4.4
175.07571	17.7
177.05531	4.4
177.09117	39.8
179.06979	12.0
179.08438	7.9
181.10100	12.3
183.08015	13.8
183.11711	80.6
184.07333	4.8
184.12074	10.1
185.09619	19.8
185.13229	30.9
186.07140	4.9
187.07436	9.6
187.11203	18.1
189.05426	14.3
189.09093	5.2
192.09259	6.1
193.10173	10.3
194.10759	6.0
195.11691	17.4
197.09601	12.9
197.13268	12.4
198.10356	7.3
199.07503	7.3
199.11160	16.3
200.11493	7.7
201.09126	11.8
201.12798	20.5
206.10942	5.8
207.06447	7.2
207.11671	15.2
208.12460	5.8
209.09631	8.2
209.13243	14.1
211.11154	12.9
213.09164	5.8
213.12718	18.2
214.13083	11.9
215.10638	9.9
217.10284	6.4
217.12169	7.5
218.10875	4.8
219.11748	10.5
221.13196	14.1
222.13835	6.8
223.11208	9.9
223.14801	14.5
229.10222	6.2
229.12216	22.6
230.11012	8.0
231.11778	9.4
231.13873	11.5
232.12335	10.3
233.13155	11.7
233.15381	11.9
235.11090	9.8
235.14737	6.5
237.12717	8.9
241.12268	7.8
242.10884	4.7
243.11682	17.4
243.13783	8.2
244.12331	6.8
245.13228	15.1
245.15485	5.8
246.13754	5.1
247.14996	6.5
249.12836	8.3
251.14296	14.2
253.10124	5.6
255.11758	5.4
256.12473	6.1
257.13388	11.2
258.13962	13.5
259.14740	14.1
260.12146	5.7
260.15500	6.9
261.12552	7.0
261.15027	7.1
263.14316	7.8
270.14114	10.2
271.11099	6.4
271.14651	6.0
272.15549	7.3
273.16418	8.8
275.14481	5.1
277.12250	5.2
283.14835	12.9
284.15558	5.3
285.12708	13.6
285.16284	8.0
286.13538	5.4
287.14435	8.7
287.17654	10.2
297.16306	10.3
299.14236	6.8
300.14798	7.8
301.12454	7.1
301.15839	16.2
303.13727	9.6
303.16946	4.9
305.15253	7.5
314.12869	8.9
314.16293	5.7
315.13809	7.6
315.17465	13.0
317.15378	6.2
319.16953	13.2
325.15790	5.3
327.13330	4.8
328.14539	7.8
329.15442	29.7
333.18326	9.9
343.16904	50.5
345.14771	4.8
345.18570	6.8
347.16525	39.3
349.14294	11.7
353.15097	5.5
361.18073	43.0
362.18024	6.1
363.15741	6.8
365.17426	15.7
371.16479	28.3
373.18143	6.1
375.15521	5.6
375.19775	10.7
376.19940	6.9
379.18839	12.3
385.18039	8.8
389.17456	59.8
393.20526	17.5
399.15805	8.2
403.19092	43.1
404.19388	6.8
407.18552	41.7
417.16974	12.9
421.20056	80.2
422.20496	5.9
431.18576	13.7
435.18036	17.2
439.21213	56.2
449.19876	31.8
454.22723	5.8
457.22156	7.4
467.20557	51.4
485.21960	29.0
527.22913	6.4
545.23785	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	662.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.5
55.01879	8.1
55.05518	37.8
57.03405	3.9
59.82320	4.0
67.05515	10.5
68.99795	5.2
69.03413	4.5
69.07078	6.8
69.19451	4.3
69.22030	31.2
79.05499	17.9
81.03416	9.3
81.07055	9.1
83.04987	60.1
83.79673	4.2
84.05354	4.1
91.05504	34.0
93.07050	17.6
95.04984	36.5
95.08646	9.6
96.43830	3.7
98.21489	9.3
103.05495	19.8
105.03410	37.1
105.07036	58.1
106.03703	5.0
107.08604	14.5
109.06529	9.9
109.10185	4.5
115.05468	14.7
115.84349	4.1
117.07038	28.4
119.04952	7.0
119.08592	76.4
120.08895	4.8
121.06530	6.6
121.10139	6.3
125.02386	9.3
128.06239	5.7
129.07018	7.7
130.67239	3.8
131.04947	30.6
131.08571	26.6
132.05304	5.4
133.06509	26.5
133.10139	21.9
134.00392	3.9
135.08055	11.7
135.11671	4.0
141.07043	6.6
142.07803	9.7
143.08565	27.9
145.06450	18.8
145.10136	26.6
147.08028	24.4
147.11790	3.9
149.06021	11.0
149.09628	26.7
154.07831	4.8
155.08600	16.5
156.09375	19.0
157.06540	6.6
157.10149	64.9
159.04393	4.7
159.08072	18.5
159.11682	43.7
161.06023	29.9
161.09660	11.0
163.07596	11.1
165.05421	4.2
165.07018	8.3
167.08583	6.4
167.10974	3.8
168.09389	8.1
169.10167	36.4
170.10919	10.2
171.08060	6.8
171.11717	54.4
172.08804	5.2
172.12083	4.4
173.06010	13.0
173.09615	25.2
173.13290	15.2
175.07570	24.4
177.05522	6.1
177.09116	12.8
179.07062	11.3
179.08534	7.8
180.09348	6.9
181.10106	14.3
183.08141	9.2
183.11713	100.0
184.12248	8.0
185.09653	21.2
185.13283	17.1
187.07588	9.2
187.11183	24.7
189.05481	10.9
189.09116	6.2
191.07143	6.3
191.10706	5.6
192.09406	5.1
193.08597	7.6
193.10164	18.7
193.12077	8.6
194.10925	7.0
195.08150	5.6
195.11736	13.6
196.12370	3.9
197.09639	14.7
197.13258	9.6
199.11186	17.5
201.09186	7.4
201.12737	20.0
203.07106	5.1
203.10693	4.6
205.12187	4.8
207.08208	4.9
207.11769	15.8
208.12483	7.4
209.09673	9.7
209.13326	14.4
209.38062	4.0
211.07529	4.7
211.11177	17.2
211.12982	4.2
213.09128	15.0
213.12766	17.3
215.10663	11.3
216.09393	5.5
217.10225	5.6
217.12262	7.5
218.10997	5.5
219.11736	10.5
219.13821	7.6
220.12425	7.4
221.09711	5.5
221.13318	18.8
222.10469	5.2
223.11292	6.7
223.14694	6.3
225.09245	3.9
225.12698	12.6
227.10661	7.7
229.12320	18.9
230.10938	4.8
231.11760	14.9
231.13870	9.7
232.12366	5.4
233.13284	11.6
233.15442	13.2
234.10376	5.3
234.14153	7.3
235.11293	7.6
235.14859	9.8
237.09369	6.0
237.12724	9.8
238.13641	4.4
239.10678	4.9
241.12341	7.5
243.11703	14.8
243.13899	20.8
244.12479	11.3
245.13263	13.2
245.15443	7.7
246.14066	8.6
247.11142	9.5
249.12814	6.6
251.10403	5.2
255.11797	6.4
255.16078	8.2
256.12503	8.5
257.13303	13.8
258.14191	9.4
259.15021	8.2
261.12561	7.3
261.14886	13.2
263.10742	9.0
263.14139	6.5
267.11667	4.5
268.12460	7.2
269.13327	6.6
270.14047	9.2
271.14941	6.7
272.15640	4.6
273.12704	6.1
273.16492	11.3
275.14417	4.5
275.17767	4.6
277.12265	9.4
282.14090	8.2
283.14688	9.1
284.15485	7.6
285.12918	7.5
285.16409	8.1
286.13721	6.9
286.16861	4.5
287.14481	4.7
287.17889	8.3
289.14813	4.5
297.16379	11.4
299.14233	6.4
300.15021	8.0
301.15884	14.2
303.13928	5.6
303.17374	4.9
305.11658	4.4
314.13132	8.3
315.13947	8.9
315.17496	13.9
317.15347	7.1
319.17007	10.7
325.15652	5.4
327.13550	6.9
327.17422	6.3
328.14651	6.7
329.15433	32.4
331.16913	9.7
333.18533	8.1
343.16992	42.5
347.16394	48.2
349.18082	8.6
357.18903	5.9
361.18018	49.7
363.15945	4.3
365.17435	18.3
371.16574	30.7
375.15811	12.0
375.19833	9.2
379.19122	16.3
389.17426	63.2
391.19073	5.6
395.18335	4.4
399.15878	9.3
403.19080	39.0
405.20425	5.9
407.18524	49.4
417.17148	13.1
420.18402	4.9
421.20142	88.8
423.21857	8.2
431.18466	19.9
435.18005	17.2
439.21100	58.7
447.27454	6.3
449.19629	35.7
453.18948	11.1
457.22266	14.3
465.28397	16.3
467.20776	47.6
482.15945	4.9
483.16077	7.1
485.21982	21.7
497.18002	4.6
498.18469	21.5
513.20959	5.6
557.20178	20.8
567.25464	6.5
585.27698	4.9
619.23657	8.0
620.23694	4.8
630.22681	50.6
662.24921	45.0
663.25232	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	661.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.1
53.03942	5.1
55.01879	20.4
55.05479	2.9
57.06829	1.8
57.07084	18.3
67.05499	6.4
69.03427	4.3
69.07073	2.9
70.60334	2.6
70.60674	4.0
77.03933	2.1
79.05505	9.9
81.03423	12.5
81.07036	4.8
83.04949	2.0
85.06545	3.1
91.05486	37.7
93.07061	10.9
95.01313	2.8
95.04951	12.9
95.08604	6.5
103.05489	3.6
105.03400	33.8
105.04496	3.1
105.07031	24.2
107.04943	7.4
107.08572	8.7
109.06525	7.4
109.10172	2.9
115.03972	1.7
115.05466	12.5
116.06231	5.2
117.07019	25.2
119.08588	36.2
121.06508	5.9
121.10146	3.1
128.06200	11.0
128.60205	1.7
129.07022	27.7
130.07816	4.4
131.08585	22.8
132.05714	1.8
133.06491	4.8
133.10127	28.3
135.08098	10.1
141.06967	7.4
142.07774	11.8
143.08574	24.6
144.05693	2.1
145.06496	21.4
145.10136	22.3
146.07153	2.6
147.08052	100.0
147.11618	2.7
149.09648	12.8
153.06877	2.1
154.07892	2.2
155.08585	14.6
156.09370	19.2
157.06483	2.8
157.10141	43.7
158.07233	4.0
158.10901	2.1
159.08055	35.9
159.11696	31.0
160.08720	2.1
161.09633	39.0
161.13225	2.2
163.07550	56.2
163.11162	6.0
165.06973	3.4
166.07742	2.7
167.08633	3.9
168.09364	3.4
169.10132	18.6
170.10905	13.8
171.08115	10.5
171.11700	65.6
173.05988	9.1
173.09645	29.9
173.13264	9.6
175.07542	22.9
175.11177	4.7
179.08638	3.5
179.10532	2.8
181.10089	7.0
182.10857	3.1
183.08035	3.2
183.11696	47.9
185.09621	19.0
185.13266	57.9
187.07484	3.3
187.11198	14.3
187.14735	2.5
189.09128	3.2
189.12735	3.6
195.11674	8.7
197.09673	9.9
197.13277	14.4
198.10355	5.3
199.11176	22.3
200.11987	4.3
201.09114	8.6
201.12794	9.7
203.10686	5.7
203.14365	3.9
205.10278	2.1
205.12175	4.0
207.11688	6.7
208.12422	2.0
209.09537	3.7
209.13251	3.8
211.11197	8.0
213.09357	2.5
213.12758	49.3
215.10698	4.9
217.10243	3.0
217.12204	4.5
219.11719	2.6
220.12381	2.2
221.09488	2.8
221.13266	4.4
223.11166	7.3
223.14795	3.7
225.09174	2.3
225.12741	6.2
227.10805	4.2
229.10226	3.3
229.12257	6.7
231.13791	10.0
232.12590	1.9
233.13419	2.3
233.15381	6.8
234.10274	2.0
234.14012	2.1
235.11101	4.0
237.12767	6.4
241.12262	20.8
243.11610	3.9
243.13817	8.4
244.12523	2.8
245.13120	3.4
245.15382	35.1
247.11092	3.1
247.14983	3.1
251.14256	3.3
253.12267	2.5
255.13849	10.4
257.15469	4.7
258.13928	2.4
259.11136	3.3
259.13275	14.6
261.12607	4.2
263.16455	10.0
268.12570	2.6
269.13263	2.6
271.13571	2.1
272.12085	2.2
273.12500	3.9
273.14896	31.9
275.14166	2.6
277.15784	2.3
283.11099	2.1
283.14755	2.3
285.12802	3.7
285.16321	2.4
286.13547	3.7
287.14243	4.7
291.15994	5.8
297.12762	5.4
298.13437	3.2
299.14331	3.4
299.18030	3.0
300.15073	3.2
301.15842	7.2
305.15463	3.1
311.14261	3.4
312.15036	3.6
313.15912	5.7
315.17245	8.2
317.15500	2.0
317.18893	8.4
326.16602	3.5
327.17404	12.6
329.19189	2.6
331.16837	2.5
331.20517	4.3
333.18579	4.0
341.19000	11.1
345.18405	11.6
346.19656	1.9
357.18246	4.3
359.20090	12.9
363.19196	2.0
369.18518	7.5
375.19510	3.0
377.20822	2.3
387.19498	16.4
387.27487	2.1
389.21198	6.3
391.22641	7.9
401.21109	23.8
405.20569	5.1
407.22174	6.4
419.22180	43.3
437.23032	10.6
503.28253	2.5
507.27533	2.4
521.28882	4.8
541.25739	2.1
578.62335	1.9
629.31226	10.7
643.32062	2.6
661.33508	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	661.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.9
55.01876	5.6
55.05514	41.4
67.05507	10.3
69.03441	5.6
69.07084	3.1
71.56071	4.7
74.09724	13.5
77.72963	2.6
79.05122	2.7
79.05482	16.2
80.06940	2.8
81.03474	5.0
81.07061	12.2
81.62157	2.7
83.04987	58.7
85.02925	2.9
90.60655	3.1
91.05467	28.8
93.07043	17.7
95.04963	19.5
95.08612	11.0
97.06547	4.9
100.95932	2.6
103.05461	47.4
105.03395	39.7
105.04514	4.1
105.07027	40.9
106.03728	3.3
107.04971	10.3
107.08584	22.9
109.06532	11.6
109.10171	3.0
115.05469	13.7
116.06302	3.0
117.07027	15.2
119.04958	8.0
119.08583	30.3
121.06502	6.4
121.10172	7.2
123.08094	4.6
128.06252	7.1
128.39249	2.6
129.06097	2.8
129.07027	9.9
130.07765	3.4
131.04936	100.0
131.08577	22.2
132.05283	2.9
133.06523	20.7
133.10143	27.0
135.08061	17.4
137.09679	3.8
137.72144	2.8
141.07025	6.8
141.86496	2.7
142.07791	9.3
143.08568	19.3
145.06502	12.5
145.10124	17.8
147.04436	4.1
147.08037	17.7
147.11710	4.4
149.05951	6.6
149.09639	6.3
153.06979	5.7
154.07793	5.4
155.08510	14.4
156.09288	15.8
157.10150	38.2
159.08047	18.0
159.11659	14.4
161.05954	19.9
161.09644	11.1
163.07567	17.9
163.11194	5.6
165.06947	7.3
165.09102	7.7
167.08580	7.2
168.09300	4.0
169.10103	23.2
170.10925	15.2
171.08034	13.3
171.11678	49.0
172.12025	4.1
173.05969	6.1
173.09656	24.4
173.13297	6.4
175.07547	6.9
175.11127	3.3
177.05525	5.1
177.09134	9.1
179.07205	3.1
179.08614	7.2
180.09290	5.0
181.10159	11.0
182.10974	3.7
183.08124	8.2
183.11690	43.0
184.12048	3.3
185.09647	15.7
185.13275	46.6
187.07599	5.3
187.11218	12.3
189.05492	8.9
189.09163	7.1
191.07098	2.9
191.10593	3.8
192.09343	4.6
193.10185	9.0
195.11752	15.9
196.08672	3.2
197.09673	11.0
197.13269	13.9
198.10359	7.8
199.07555	5.7
199.11205	19.9
200.11917	5.1
201.09169	8.4
201.12755	13.2
203.10713	4.9
205.10323	3.8
205.12242	4.9
206.10829	4.1
207.11758	12.4
209.09659	6.9
209.13266	5.5
210.10432	3.5
211.11134	16.0
211.14864	3.7
213.09206	9.0
213.12740	52.4
215.10631	8.1
215.14452	5.1
216.09433	3.4
217.12177	5.1
218.10893	5.3
219.08250	3.5
219.11743	8.8
220.12543	6.2
221.09682	3.5
221.13303	12.4
222.10345	3.6
223.11206	12.4
223.14828	5.2
225.09154	7.2
225.12878	5.3
226.09846	2.7
227.10727	3.9
229.10188	7.3
229.12248	7.5
230.10886	4.9
231.11734	10.3
231.13844	9.3
232.12465	7.1
233.13272	9.0
234.10417	3.7
234.13930	5.3
235.11073	6.6
235.14857	6.9
237.12749	6.8
239.10661	4.5
241.12303	10.5
243.11801	5.6
243.13902	12.7
244.12469	10.3
245.13214	12.3
245.15422	20.2
246.10405	3.5
246.14023	10.9
247.11168	6.1
247.14851	10.9
248.15765	3.8
249.12663	7.1
249.16412	11.0
251.14409	4.1
253.12384	5.3
255.11685	3.5
255.13910	5.8
256.12573	5.2
258.13968	3.7
259.15228	14.6
260.12064	3.6
260.15479	3.7
261.12839	7.9
261.16400	9.8
263.14294	6.6
263.18158	5.8
265.16013	5.3
267.14063	3.1
271.14948	5.6
272.15573	5.6
273.14511	13.6
273.17038	3.7
274.13589	3.3
275.14493	6.1
275.17905	5.8
277.12173	4.1
277.15918	8.2
285.12820	3.8
285.16409	8.6
286.13382	5.1
287.14307	8.5
287.17963	5.9
289.15884	10.7
290.16351	3.3
291.17169	5.8
293.15466	4.5
299.14307	10.7
299.17709	3.3
301.15778	5.5
302.16495	3.9
303.17523	10.3
305.18649	3.1
307.16916	3.6
309.18478	4.5
309.22192	3.1
311.14212	4.5
313.15851	5.2
315.17429	4.9
317.15234	5.7
319.17075	5.4
321.18466	7.0
327.17435	3.5
328.14624	3.3
331.16772	11.0
333.18491	8.7
335.19931	5.4
341.15234	4.4
343.16928	9.9
345.18362	9.6
351.19510	9.3
357.18460	11.3
359.16269	13.6
361.17999	9.1
363.19473	6.1
369.20627	6.0
373.17984	14.9
375.19760	7.0
377.17410	10.2
379.18942	3.8
385.18011	8.3
387.19467	5.0
391.18982	20.6
392.19424	3.7
395.18207	4.3
401.17221	8.7
403.19101	9.5
405.20468	9.8
407.22406	5.8
409.20163	11.1
415.19260	3.4
417.20541	6.3
419.18570	11.4
421.20197	9.9
423.21707	8.2
433.20041	9.5
435.21646	9.5
437.19556	8.4
439.20996	9.8
444.17792	4.2
451.21310	21.8
453.23471	5.2
457.14908	4.9
465.22940	5.9
469.22418	19.9
472.17459	9.5
483.23700	7.0
487.23206	3.8
497.18112	12.4
501.24857	16.2
511.23120	3.3
522.56921	3.4
529.24274	11.5
537.17126	3.2
556.19427	10.7
559.21759	17.9
561.26721	10.6
569.27448	3.7
619.23987	26.7
629.21991	14.6
661.24268	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
53.25412	1.3
55.01870	1.8
55.05511	13.6
67.05504	2.0
69.03416	1.5
69.07064	2.1
77.28891	1.3
79.05479	5.8
79.13198	1.5
81.03445	1.7
81.07062	4.8
83.04993	20.4
85.02936	1.2
87.09155	1.4
90.18111	1.2
91.05499	10.6
93.07034	7.5
95.04962	5.1
95.08591	3.4
96.05352	1.5
97.06524	2.3
103.05481	26.4
105.03419	13.6
105.07040	11.3
107.04986	1.5
107.08591	6.3
109.06519	2.8
115.05452	3.2
117.07018	8.0
119.04881	1.6
119.08599	12.4
121.06507	4.5
121.10148	2.3
128.06209	4.2
129.06984	6.3
131.04939	57.2
131.08617	8.9
133.06506	7.9
133.10106	9.3
135.04390	2.5
135.08049	6.5
137.05991	1.9
141.06987	2.9
142.07782	6.0
143.08540	7.0
145.06494	5.6
145.10127	5.9
147.07996	4.5
149.05956	2.8
149.09593	5.1
151.07684	1.5
153.06982	1.5
155.08522	5.9
156.09352	5.6
157.10164	14.9
159.08029	7.8
159.11668	4.2
161.05968	7.4
161.09669	5.3
163.07533	7.5
163.11230	3.0
165.07007	3.5
167.08583	2.2
168.09221	1.7
169.10117	8.8
170.10924	6.1
171.08060	6.4
171.11696	21.5
173.05986	2.1
173.09613	9.0
173.13290	2.8
175.07529	6.5
175.11206	1.7
177.05482	2.9
177.09138	5.6
180.09320	2.6
180.30432	1.6
181.10153	3.8
182.10786	1.4
183.08165	2.8
183.11705	20.4
184.12234	1.7
185.09686	8.9
185.13289	19.1
187.07462	3.5
187.11162	6.3
189.05486	2.7
189.09123	3.6
191.07004	2.9
191.10640	1.9
193.10147	3.8
195.11781	8.3
197.09557	3.7
197.13229	6.3
198.10310	2.6
199.07530	1.5
199.11160	7.9
200.11768	2.6
201.12756	5.2
205.10170	1.8
205.12291	1.8
207.11685	3.6
208.12373	1.9
209.09549	2.1
209.13274	2.4
211.11165	4.2
213.09178	2.5
213.12766	27.1
214.12991	2.7
215.10623	3.8
216.09273	1.9
217.08484	2.0
217.12289	1.8
217.21071	1.5
218.10945	1.7
219.11798	3.1
221.13338	3.1
223.11105	3.5
225.12764	1.9
227.10661	2.4
229.10123	2.3
229.12289	3.8
230.10915	2.5
231.11801	2.7
231.13812	4.9
232.12320	3.5
234.14064	1.8
235.14806	2.5
237.12738	1.9
239.14322	1.6
241.12320	4.1
243.11838	2.8
243.13789	2.9
244.12305	2.6
245.13310	3.2
245.15396	7.1
247.14767	2.1
248.11754	2.6
248.15685	1.4
249.12643	2.0
249.16530	2.3
255.13832	3.6
257.15637	2.4
259.13232	2.9
261.16400	2.2
263.14343	2.3
265.12445	1.7
271.14761	2.3
273.14838	12.2
275.17908	1.8
279.13724	1.7
283.14987	1.8
284.11774	1.9
285.12659	2.6
285.16248	1.6
287.14319	2.5
289.15869	1.9
291.16281	2.8
299.14374	1.9
302.16104	1.6
303.13745	2.5
303.17108	1.9
313.15860	1.7
314.16547	1.8
317.15402	2.4
317.18866	1.8
321.18491	2.2
327.17340	1.9
331.16815	4.3
333.18347	3.1
343.16971	4.4
345.18503	3.1
347.20276	2.6
357.18558	4.0
359.16232	2.9
361.17862	5.2
367.17883	1.8
373.17892	5.4
375.19562	5.8
377.17206	2.3
385.18079	3.3
385.78165	1.5
387.19498	2.1
391.18958	7.5
393.20743	2.6
401.17465	3.2
403.19116	6.3
404.19250	1.5
405.20413	3.1
409.20157	5.7
412.15692	2.1
419.18167	2.5
421.20059	6.4
423.21780	1.8
425.16235	3.4
433.20261	2.4
435.21747	7.8
440.18802	2.7
451.21326	2.8
453.15524	4.9
453.22763	3.6
454.16388	4.4
455.16940	2.9
456.17783	4.3
457.14813	2.9
467.16812	5.5
468.18347	11.5
469.18716	7.2
470.19098	1.8
471.16492	1.9
472.17157	2.0
481.15298	4.6
482.15765	4.8
483.15891	2.8
487.23178	6.4
488.16968	1.6
495.16327	4.1
496.17712	10.5
497.18149	25.3
498.18585	3.2
499.15720	2.0
511.19812	1.6
513.17865	4.5
514.18384	7.6
515.19336	3.5
524.16669	14.6
528.20367	7.1
529.20343	4.1
530.21564	3.6
553.20935	1.8
555.18451	3.3
556.19586	6.0
569.20221	10.4
570.21149	1.8
585.22614	1.8
587.21130	3.3
597.19885	19.1
601.22485	4.0
609.30273	2.3
618.23572	1.9
629.22473	100.0
630.22626	8.0
643.28802	1.6
661.24908	63.7
662.25616	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.5
53.03565	0.8
53.03941	2.6
53.58393	0.7
55.01864	1.0
55.05500	1.7
64.26711	0.7
65.03945	0.9
67.05493	2.5
67.68710	0.7
69.03445	1.1
69.07068	1.4
71.55619	1.3
76.63790	0.7
77.03909	0.9
79.05493	2.4
81.03397	1.4
81.07066	1.9
83.05000	2.2
85.02906	0.9
91.05496	6.2
93.07047	2.9
95.04994	4.5
95.08614	1.6
97.06519	0.9
98.98942	0.8
99.04458	0.7
102.87160	0.8
103.05475	49.7
104.05803	4.3
105.03441	5.0
105.04514	1.5
105.07044	9.9
107.04974	1.9
107.08601	2.3
109.06525	1.4
111.04477	2.3
115.05442	1.3
117.07011	3.8
119.08587	5.8
121.06539	1.2
121.10146	1.4
123.04410	1.0
128.06233	1.6
129.07001	2.9
130.07796	1.1
131.04936	100.0
131.08574	4.5
132.05272	11.2
133.06491	2.7
133.10150	6.8
135.08057	1.8
141.06969	1.6
142.07837	1.8
143.08551	4.2
145.06502	3.0
145.10130	4.2
147.08052	3.2
149.06096	0.9
149.09627	2.2
155.08551	3.0
156.09396	3.7
157.10133	8.2
159.08063	3.8
159.11691	3.7
161.05959	4.0
161.09624	3.4
163.07532	3.9
163.11162	1.1
165.06999	1.4
166.07819	0.9
167.08562	1.1
168.09355	1.7
169.10146	6.2
170.10899	4.4
171.08041	2.2
171.11711	12.6
172.08766	1.2
172.12169	1.3
173.05963	0.9
173.09642	4.9
173.13266	2.7
175.07544	1.7
175.11104	1.2
177.09096	2.6
179.07043	2.0
179.08563	1.3
180.09288	1.2
181.10114	1.5
183.08127	1.6
183.11699	11.8
184.08823	0.8
184.12177	1.5
185.09706	4.2
185.13251	10.0
186.10400	1.0
186.13683	1.2
186.26930	0.8
187.07555	1.6
187.11201	3.3
189.05489	1.7
189.09116	2.3
193.10194	1.2
194.10870	1.2
195.11711	3.7
196.08821	1.0
197.09573	2.0
197.13266	2.8
198.10246	1.3
199.11186	3.9
200.11868	1.9
201.09070	1.5
201.12720	3.2
206.10844	1.2
207.11777	1.5
208.12321	1.1
209.09708	0.9
209.13297	1.5
211.11209	2.7
213.12753	10.9
214.10008	0.9
214.13072	1.3
215.10559	2.1
215.14316	0.8
217.08444	1.3
217.10312	1.3
217.12234	1.2
218.11118	0.8
219.11714	1.8
220.12376	1.8
221.13260	2.6
223.11198	1.9
223.14763	1.0
224.08403	0.7
225.09177	1.1
225.12686	1.3
227.10626	1.5
229.12250	2.3
230.10849	1.2
231.13712	1.8
232.12276	1.9
233.13335	1.5
233.15416	1.0
235.11276	1.5
235.14861	1.5
237.12904	0.9
239.10617	1.9
241.12233	2.8
242.13078	1.0
243.13838	1.8
245.13284	1.4
245.15433	3.5
246.13969	1.4
247.11188	1.4
247.15030	1.3
249.16504	0.9
253.12198	1.1
255.13869	1.8
256.12250	1.4
257.11807	2.8
259.14902	2.3
260.15561	1.7
261.12469	0.9
270.14020	1.2
271.14679	2.3
273.14819	6.5
275.12775	1.7
275.18011	2.4
284.15350	1.0
285.13025	0.9
285.16339	1.6
290.16376	0.9
291.16229	1.3
299.14343	1.4
314.16751	0.8
315.13791	1.1
315.17383	1.0
317.15414	1.2
319.16959	1.1
329.15375	1.8
331.16855	2.6
333.18430	2.5
342.16116	1.1
343.16962	4.2
345.18390	1.4
347.20203	1.1
349.18161	1.0
355.16791	0.9
357.18433	4.4
361.17960	3.4
362.18185	1.1
373.17685	1.9
375.19690	4.6
385.17993	2.5
393.20496	1.2
402.18161	1.4
403.19138	5.5
405.20493	1.8
406.20990	0.9
407.22214	1.5
417.20822	3.7
421.20132	2.4
435.21967	4.9
453.22525	3.0
508.88483	0.9
661.29352	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.3
51.02393	0.7
53.03951	2.0
55.01877	3.6
55.05510	0.7
57.82126	0.3
65.03939	0.3
67.05508	1.6
69.03438	0.8
69.07080	0.3
69.23111	1.7
69.23515	0.6
71.04964	0.3
77.03912	1.5
79.05492	2.3
79.65111	0.2
81.03418	2.2
81.07076	1.3
83.04987	0.4
87.04459	0.4
91.05486	6.8
93.07047	2.0
95.01316	0.5
95.04973	5.8
95.08626	1.0
97.06526	0.9
97.26863	0.2
102.04691	0.8
103.05474	59.8
104.05779	0.5
105.03416	1.7
105.04519	0.9
105.07035	4.2
107.04980	1.6
107.08617	1.6
109.06529	1.4
109.10175	0.5
111.04434	0.3
115.03939	0.7
115.05467	2.7
116.06257	0.7
117.07013	5.1
119.04957	0.5
119.08589	10.9
121.06527	1.2
121.10151	1.0
123.08031	0.4
125.01608	0.3
125.05999	0.3
128.06247	1.4
129.07014	5.4
130.07787	0.7
131.04935	100.0
131.08563	5.4
132.05301	0.8
133.06496	1.1
133.10149	2.2
135.08075	1.7
141.06990	1.2
142.07780	1.5
143.08551	3.9
144.05705	0.4
144.08112	0.5
144.09346	0.4
145.06487	4.9
145.10139	3.8
147.08054	20.8
147.11728	0.6
149.05975	0.5
149.09642	2.9
153.06944	0.7
153.31010	0.2
154.07767	0.6
155.08527	2.2
156.09393	1.3
157.06483	0.3
157.10130	7.5
158.07280	0.8
158.10870	0.3
159.08067	12.1
159.11696	8.2
161.09624	6.7
163.07549	7.7
163.11179	0.5
165.06981	0.9
165.09169	0.3
166.07805	0.6
167.07149	0.4
167.08575	0.9
168.09286	0.6
169.10129	3.4
170.10883	0.8
171.08090	1.6
171.11697	4.9
172.08818	0.6
173.06024	1.3
173.09641	5.7
173.13228	1.9
175.07559	2.0
175.11188	0.7
177.09125	1.0
178.07726	0.5
179.08565	0.9
179.10587	0.3
180.09398	0.5
181.08669	0.6
181.10141	1.3
182.07314	0.4
183.08125	0.5
183.11703	12.2
184.12192	0.4
185.09618	2.5
185.13249	3.3
186.10371	0.6
187.07585	1.3
187.11188	4.3
189.09082	1.0
189.12749	0.4
191.10730	0.5
192.09381	0.5
193.10135	1.1
193.11894	0.2
194.11015	0.4
195.08064	0.4
195.11710	1.2
196.08864	0.6
197.09625	2.6
197.13248	0.9
198.10338	0.4
199.07552	0.4
199.11208	2.3
201.09140	1.5
201.12758	5.2
203.08757	0.4
203.10739	0.8
205.10309	0.5
205.12230	0.6
206.10918	0.8
207.11740	1.7
208.12376	0.3
209.09595	0.9
209.13266	0.9
210.10434	0.4
211.11238	3.3
211.14784	0.3
213.09100	0.7
213.12762	1.0
215.08887	0.3
215.10701	1.5
215.12503	0.3
216.09290	0.4
217.10193	0.7
217.12251	1.3
218.10928	0.5
219.11852	0.5
220.12399	0.4
221.09579	0.6
221.13298	1.8
222.10385	0.5
223.11217	2.0
223.14787	0.4
225.09068	0.4
225.12672	1.3
227.10698	1.0
229.10153	0.7
229.12228	4.4
230.10873	0.6
231.09862	0.4
231.11746	0.8
231.13867	0.8
232.12468	0.7
233.09676	0.5
233.11496	0.5
233.13313	0.8
233.15298	1.9
234.10460	0.4
235.11142	1.0
235.14839	0.5
237.12843	1.4
237.16434	0.3
239.10716	0.6
239.14340	0.6
241.12225	0.7
243.11781	0.4
243.13885	2.0
244.12448	0.8
245.09566	0.4
245.13234	0.8
245.15451	0.7
246.14070	0.4
247.11063	0.6
247.13327	0.9
248.11992	0.4
249.12735	1.1
250.13464	0.3
251.14328	0.8
253.12283	0.4
255.14038	0.3
256.12531	0.7
257.13156	1.0
258.13965	0.4
259.11057	0.9
259.13318	1.8
260.11917	0.6
261.12610	0.6
261.14850	5.2
263.10657	0.4
263.14490	1.2
265.12268	0.4
265.15903	0.4
267.11505	0.6
268.12375	0.5
269.09473	0.3
270.13962	1.0
271.10846	0.4
271.15015	0.5
272.12015	0.6
272.15604	0.4
273.12686	1.1
274.13434	0.6
275.14145	0.9
277.12277	0.5
278.13101	0.3
279.13757	1.0
279.17578	0.3
281.12912	0.5
282.14008	0.3
283.14697	0.3
284.11975	1.0
285.12680	1.8
285.15979	0.5
286.13339	0.6
286.16995	0.3
287.10788	0.3
287.14252	1.2
287.17975	0.3
289.15649	0.8
291.13916	0.5
291.17279	0.5
293.15445	0.4
297.15985	0.3
298.13541	0.4
299.11227	0.3
299.14288	2.1
300.11917	0.4
300.15076	1.2
301.12280	0.4
301.15674	0.8
301.19247	0.6
303.13702	0.6
303.17294	0.5
311.17896	0.4
313.12027	0.8
313.15790	0.9
314.13281	0.4
314.16650	1.1
315.13779	0.7
315.17368	3.2
317.15363	0.7
317.18820	0.3
323.16644	0.5
325.15768	0.6
327.13699	0.9
327.17487	0.5
328.14569	0.7
329.15359	0.6
329.18958	3.8
331.16809	0.4
333.18503	1.3
339.17343	0.9
341.14899	0.4
342.16223	1.3
343.17017	1.4
347.20184	1.5
349.17853	0.4
357.18530	5.5
359.16379	0.4
361.17877	1.1
363.19534	0.4
367.16977	0.4
369.16901	0.4
373.17807	0.5
375.19510	4.4
381.20114	0.3
385.17877	1.6
389.21173	4.0
391.23001	0.5
403.19049	2.1
407.22144	5.1
409.19638	0.4
417.20590	3.4
421.20111	2.4
425.23209	2.2
435.21713	6.2
453.22662	3.1
481.22107	0.6
629.26758	1.1
643.28418	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01873	8.3
67.05507	1.6
68.00543	1.2
69.03418	1.7
69.07081	1.6
79.05500	5.0
81.03415	6.3
81.07042	3.0
91.05477	14.8
92.65797	1.2
93.07036	3.5
95.04965	11.8
97.68867	1.1
100.54491	1.2
101.32005	1.1
103.05473	51.8
105.07036	7.8
107.04948	2.4
107.08591	4.2
109.06499	3.6
110.79482	1.6
115.03952	1.8
115.05492	6.3
116.06184	1.8
117.07040	14.9
119.08582	21.7
121.06506	2.6
121.10117	2.2
123.08053	1.5
128.06210	3.4
129.07005	9.7
130.07843	1.7
131.04930	100.0
131.08556	11.2
133.06493	2.6
133.10117	5.0
135.08064	4.1
141.06981	3.0
142.07764	4.8
143.08569	8.4
144.05693	1.7
145.06496	12.0
145.10173	8.4
147.08046	50.6
149.09613	3.9
153.06958	1.7
155.08572	4.0
156.09349	3.5
157.10156	15.6
159.08052	25.3
159.11676	18.4
161.09612	12.8
163.07547	20.9
165.06982	1.7
165.09074	1.6
167.08505	1.6
168.09363	2.0
169.10077	9.3
170.10844	1.5
171.08061	3.3
171.11684	12.4
173.06013	2.9
173.09631	14.0
173.13257	5.9
175.07565	5.4
175.11191	2.4
177.09099	2.3
181.10165	2.3
183.11687	32.5
185.09612	4.6
185.13232	6.0
187.07600	2.8
187.11208	10.7
189.09256	2.8
193.10219	2.7
195.07991	1.5
195.11653	2.7
197.09602	4.5
197.13162	1.5
199.11215	5.0
201.09068	3.4
201.12729	9.8
203.10718	1.8
206.10924	2.5
207.11737	3.7
208.08783	1.7
208.12590	1.3
209.09618	2.8
209.13266	2.2
211.11246	6.3
213.12828	2.5
215.10515	2.3
217.12257	2.0
219.11810	1.7
221.13275	3.3
223.11197	3.5
225.12840	2.2
227.10593	2.0
229.12257	10.6
230.10909	1.9
231.11800	1.9
232.12601	1.4
233.13400	1.6
233.15385	5.7
234.10291	1.5
235.11148	1.7
237.12827	2.4
239.14297	1.3
243.11635	2.2
243.13829	5.3
245.15416	1.7
247.11211	2.1
249.12767	2.9
251.14464	1.8
256.12378	1.4
257.13406	2.3
259.13260	2.9
260.11926	2.2
261.12491	2.4
261.14914	8.1
262.13452	1.6
263.14285	2.2
267.11624	1.7
271.14746	2.7
272.12067	1.4
273.12628	3.0
275.14319	2.6
279.13675	1.6
284.12073	2.0
285.12674	3.7
286.17175	1.5
287.14404	1.4
289.14374	1.5
293.15356	1.6
296.15421	1.4
299.14279	2.8
300.15158	2.9
301.15802	1.5
313.15805	1.9
315.17422	6.9
317.15375	2.0
327.13766	2.3
329.19138	6.9
333.18533	3.7
339.17026	2.1
341.15280	2.0
342.16324	1.4
343.17035	2.0
347.20078	2.7
357.18472	12.1
375.19489	11.1
385.17957	2.0
389.21161	11.4
399.20499	1.3
403.19171	4.0
407.22049	7.9
417.20636	5.4
421.19931	4.8
425.23264	3.9
435.21567	13.8
453.22836	6.2
643.28809	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.0
53.03952	6.7
53.36118	0.6
55.01879	6.7
55.05499	2.0
55.23677	0.6
67.05530	2.9
69.03441	1.5
69.07076	2.1
70.02099	2.4
77.03934	2.6
79.05497	3.7
81.03423	5.4
81.07079	3.1
83.04980	2.1
87.82822	0.6
91.05489	14.2
93.07045	4.9
95.01344	0.9
95.04977	10.6
95.08635	1.8
97.06513	0.7
98.21445	0.6
103.05457	4.4
105.03400	100.0
105.04544	4.0
105.07026	11.9
107.04969	2.8
107.08605	3.2
109.06538	1.8
115.05462	6.7
116.06252	1.2
117.07019	9.8
119.04935	0.6
119.08594	15.1
121.06529	2.6
121.10139	1.7
123.08095	1.2
128.06230	4.6
129.07019	10.5
130.07803	1.7
131.04941	8.2
131.08577	11.1
133.06509	2.0
133.10141	11.1
135.08072	1.9
137.09625	0.7
141.06973	3.7
142.07803	6.6
143.08572	10.2
145.06485	9.0
145.10133	7.9
146.07281	1.1
147.08060	33.0
147.11732	1.6
149.09674	3.0
153.06964	0.9
154.07777	1.7
155.08571	5.3
156.09355	7.0
157.06599	1.2
157.10155	16.1
157.11443	0.8
158.07303	2.0
159.08067	20.2
159.11722	2.7
161.06007	1.4
161.09637	19.8
163.07533	3.9
163.11237	2.5
165.07001	1.7
166.07831	1.1
167.08542	1.9
168.09323	1.3
169.06473	0.9
169.10127	8.7
170.07277	0.8
170.10921	5.5
171.08090	6.3
171.11700	29.7
173.06006	2.8
173.09627	11.3
173.13290	1.5
175.07565	7.3
175.11227	2.4
177.09184	0.8
179.08517	1.6
180.09393	1.9
181.10091	3.7
182.07330	1.0
182.10959	1.7
183.08063	2.5
183.11710	13.9
184.08865	3.0
185.09656	8.5
185.13269	18.5
187.07578	1.5
187.11209	4.2
189.09111	1.4
189.12753	1.4
191.10732	1.7
192.09348	1.0
193.10191	2.9
194.11005	1.0
195.08087	1.3
195.11627	5.4
196.08826	0.8
197.09618	4.5
197.13280	4.5
198.10460	2.6
199.11198	12.8
200.11972	1.8
201.09172	1.7
201.12831	1.8
205.10191	1.1
205.12256	1.6
206.10912	1.5
207.11763	2.5
208.12457	0.8
209.09619	2.6
209.13324	2.8
210.10445	0.8
211.11119	3.7
213.09183	1.9
213.12759	21.9
215.08717	0.8
215.10768	1.9
216.09435	0.8
217.10175	1.9
217.12114	1.5
218.10857	1.5
219.11732	1.0
220.12419	1.0
221.09668	1.3
221.13344	2.2
222.10550	0.7
223.11232	2.9
223.14859	0.8
225.09171	0.8
225.12767	1.3
227.10690	1.6
229.10147	1.8
229.12299	2.6
230.10922	1.5
231.09953	1.3
231.11778	2.0
231.13593	3.2
232.12283	1.1
233.09563	0.7
233.13425	1.3
234.13919	1.2
235.11276	1.4
235.14873	1.2
237.12764	2.6
239.10791	2.1
241.10201	1.0
241.12242	3.7
242.10954	1.3
243.11668	2.7
243.13885	3.9
244.12531	1.1
245.09633	0.8
245.13332	1.4
245.15407	14.4
246.10443	1.4
247.11255	2.0
247.14828	1.8
249.12785	2.8
251.10707	2.6
251.14455	1.3
253.10185	1.4
254.10941	1.2
255.11578	1.1
255.13864	3.6
256.12451	1.5
257.13272	2.7
257.15643	1.0
258.10471	0.9
258.14059	2.3
259.11069	1.5
259.13101	4.8
260.11862	1.2
261.12772	2.4
261.16489	0.9
262.13574	0.7
263.14334	1.5
267.11746	0.9
268.12399	1.6
269.13266	2.8
270.13965	1.0
271.11179	2.0
271.14764	1.8
272.12131	1.4
272.15619	1.2
273.12625	1.2
273.14883	12.3
274.13455	0.8
275.14343	3.3
277.15817	0.9
279.13977	0.7
282.10394	1.2
283.11279	1.8
283.14877	2.7
284.11850	1.5
284.15417	1.4
285.12784	2.7
285.16403	1.3
286.13574	1.6
287.11438	0.8
287.14316	4.4
288.15036	1.0
289.12140	1.3
289.15738	1.3
291.13782	1.1
297.12766	3.6
297.15881	1.1
298.13504	1.6
299.14337	3.6
299.17596	1.4
300.15054	1.2
301.15829	3.4
301.37634	0.7
303.14041	1.0
303.17349	0.9
311.14215	4.0
312.14954	3.3
313.12344	1.2
313.15851	2.9
314.13089	1.6
315.17535	4.6
317.15378	1.7
317.19101	4.5
325.15887	0.9
326.16690	1.9
327.13925	1.4
327.17407	8.3
328.18268	1.2
329.15320	4.4
329.19131	2.6
330.16248	1.0
331.17017	1.4
331.20776	1.8
339.13754	1.4
339.17535	0.8
340.14255	1.0
341.15231	1.3
341.18945	7.6
342.16125	1.4
345.14795	1.1
345.18518	6.2
347.16330	0.8
354.16367	1.5
357.18616	5.3
359.20102	5.6
361.17987	2.3
369.18582	8.0
375.19626	1.8
379.19089	0.7
387.19553	10.7
389.21161	5.2
391.22766	5.9
401.21228	12.7
405.20828	1.1
411.21518	1.2
419.22290	17.3
437.23334	2.4
447.21729	1.7
461.23227	2.1
479.24542	7.0
507.23700	0.9
520.45355	0.6
539.26501	4.5
583.27026	1.0
601.24353	1.0
629.27240	1.5
642.27924	0.7
643.29272	4.0
661.29669	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	661.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.7
53.03947	2.0
55.01860	1.6
55.05521	1.2
67.05495	1.7
69.03421	0.6
69.07060	0.7
69.60471	0.5
77.03922	1.1
79.05492	3.8
81.03426	1.0
81.07063	1.7
83.01313	0.7
83.04974	1.5
91.05478	6.9
93.07063	3.2
95.04971	3.2
95.08615	1.5
97.06516	0.5
98.20715	1.2
103.05473	50.4
104.05810	0.6
105.03388	2.5
105.04498	1.0
105.06377	1.0
105.07040	10.5
107.04958	0.7
107.08606	2.5
109.06521	1.9
115.05456	1.5
117.07008	4.2
119.04944	0.9
119.08588	6.4
119.36269	0.5
119.70039	0.5
121.06518	1.6
121.10153	1.4
123.08076	0.9
128.06229	1.7
129.07019	3.0
130.07787	1.0
131.04935	100.0
131.08557	3.8
132.05249	1.1
133.06502	4.7
133.10133	7.9
135.04419	0.6
135.08058	2.3
141.06985	1.9
142.07780	2.7
143.08580	5.6
145.06490	3.4
145.10124	5.1
147.08049	3.1
147.11713	1.3
149.05991	0.8
149.09608	2.1
151.07529	0.6
153.06903	0.8
154.07744	0.9
155.08574	2.4
156.09349	4.4
157.06419	0.6
157.10114	7.2
158.07303	0.6
158.10785	0.6
159.08080	3.7
159.11696	4.0
161.05991	7.8
161.09648	4.9
161.13252	0.6
163.07533	6.8
163.11206	1.4
165.07072	1.7
167.08600	1.4
168.09404	1.5
169.10132	6.2
170.10933	4.2
171.08104	3.0
171.11700	13.2
172.08812	1.0
173.06210	0.7
173.09650	4.4
173.13251	1.9
175.07552	2.0
175.11192	1.6
177.09145	3.2
177.10478	0.5
179.07022	1.8
179.08556	1.3
180.09392	1.9
181.08696	0.7
181.10080	2.6
182.10951	1.5
183.08138	1.2
183.11694	14.8
184.08885	0.6
184.12358	0.5
185.09627	3.5
185.13252	13.8
186.10474	0.6
187.11153	3.0
187.14738	0.6
189.05492	2.5
189.09091	3.3
189.12782	1.1
191.06995	0.9
191.10721	0.9
193.10144	1.1
194.10898	0.8
195.08006	0.7
195.11749	4.5
196.12245	0.7
197.09641	2.0
197.13277	4.8
198.10408	1.5
199.07509	0.8
199.11206	5.9
200.11922	1.9
201.09108	2.5
201.12729	2.4
203.10669	0.8
205.10278	1.0
205.12233	1.0
206.10904	1.5
207.11691	2.4
209.09679	0.6
209.13329	1.9
211.11194	3.5
211.14801	1.0
213.09476	1.0
213.12755	21.5
214.13225	0.7
215.10742	1.7
216.09389	0.8
217.08493	0.9
217.10332	0.8
217.12048	1.0
219.11827	1.1
220.12437	0.9
221.13257	2.4
223.11246	2.5
225.12746	1.0
227.10764	1.0
229.08192	0.6
229.10254	0.7
229.12260	1.7
230.11015	0.7
231.10020	1.2
231.12009	0.7
231.13875	1.7
232.12509	1.1
233.09616	0.7
233.13298	2.1
234.14146	0.6
235.11159	1.1
235.14903	1.9
237.12700	1.3
241.12248	3.8
243.13820	1.5
244.12497	0.7
245.13358	1.2
245.15421	5.0
246.14046	1.1
247.15068	1.1
248.12093	0.8
249.12775	0.7
249.16493	0.8
251.14503	0.5
253.12378	1.0
255.13887	3.8
256.12399	0.6
257.13284	2.1
258.14047	0.7
259.10968	0.8
259.13159	1.4
259.15146	0.7
260.15759	0.8
261.12708	1.0
261.16379	2.0
263.14203	0.9
263.16699	0.8
265.15707	0.6
267.14035	0.6
270.13824	0.7
271.14780	1.6
272.15439	0.6
273.14789	11.0
275.12640	2.7
275.61893	0.6
277.15985	1.1
279.13977	0.7
283.11221	1.0
283.14429	0.8
285.16394	1.0
287.14221	1.3
287.17587	1.0
289.15891	1.1
291.16058	2.7
299.14252	1.5
301.15912	0.8
303.14059	1.0
303.17715	0.7
305.15298	0.7
307.13159	0.6
314.16620	0.8
315.17566	1.4
317.15521	1.4
319.17017	1.3
321.18311	0.9
329.15472	0.9
329.19287	1.2
331.16852	3.1
333.18445	2.3
337.18097	0.8
343.16946	3.8
344.17844	0.7
345.18555	2.1
347.20023	1.6
357.18539	5.3
359.16589	0.8
361.17963	3.5
373.17941	1.8
375.19534	5.7
385.18179	3.4
391.19211	1.2
391.38281	0.6
393.20541	1.2
403.19012	7.3
405.20660	1.8
407.22211	1.4
417.20715	4.5
419.18845	0.8
421.20105	3.2
423.21753	0.8
435.21683	9.1
453.22714	4.0
463.22198	0.5
481.22488	0.8
495.23730	0.7
513.24500	1.3
643.29401	0.7
661.29095	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	1.2
51.02376	1.7
52.57167	0.6
53.03947	6.2
53.55936	0.6
55.01870	7.4
55.05516	1.3
56.70723	0.6
56.78575	0.6
62.25977	0.7
65.03925	0.7
67.05499	1.9
67.63898	0.7
69.03428	1.7
69.07067	1.2
69.20433	4.7
69.20841	1.5
77.03941	2.0
79.05489	3.5
81.03426	3.9
81.07047	2.4
83.04948	0.7
91.05486	13.0
93.07053	3.6
95.04975	9.8
95.08617	1.4
98.21614	1.0
105.03394	100.0
105.04539	3.2
105.07029	9.5
107.04947	2.8
107.08597	3.3
109.06528	1.2
115.05463	5.2
116.06243	2.5
116.18260	0.7
117.07011	10.3
119.07799	0.9
119.08594	12.4
121.06500	1.7
121.10133	1.8
128.06218	4.9
129.07018	9.0
130.07820	1.9
131.04904	1.4
131.08560	11.2
132.05728	1.1
133.06465	2.0
133.10126	9.1
135.08038	1.2
141.06975	2.5
142.07774	5.7
143.08563	10.6
144.05774	0.7
144.09297	1.0
145.06493	9.7
145.10129	9.1
147.08051	30.5
147.11729	1.7
149.09634	2.4
153.06982	1.5
154.07840	0.8
155.06052	0.6
155.08556	4.0
155.92145	0.6
156.09341	6.3
157.06490	1.9
157.10130	13.6
157.11319	1.2
158.07278	1.8
159.06871	0.4
159.08046	20.6
159.11696	2.4
161.09622	23.1
163.07556	2.2
163.11189	2.8
165.07014	2.2
165.09189	1.0
166.07803	0.8
167.08598	1.9
168.09328	1.1
169.10136	7.4
170.10919	6.2
171.08047	5.4
171.11696	24.8
172.08850	1.0
173.05977	2.5
173.09627	10.9
173.13249	1.4
175.07576	8.2
175.11220	1.8
178.07785	0.9
179.08585	1.3
180.09381	1.9
181.10091	3.7
182.07314	1.0
182.10869	1.0
183.08134	1.6
183.11700	12.9
184.08861	1.8
185.09630	8.0
185.13248	19.9
187.07536	1.4
187.11182	2.9
189.09128	1.8
189.12668	0.7
191.10725	1.5
192.09328	1.4
193.10133	2.7
195.08026	0.9
195.11699	4.9
196.08835	0.9
197.09631	4.8
197.13275	4.2
198.10454	2.3
199.11176	11.3
200.11954	0.8
201.09052	1.6
201.12798	1.5
203.08640	0.8
203.10632	1.0
205.10196	1.0
205.12248	1.7
206.10941	1.0
207.11751	2.9
209.09648	1.9
209.13251	1.8
210.10446	0.9
211.11217	3.3
213.09248	1.5
213.12732	19.2
215.10687	2.0
217.10210	1.5
217.12274	1.7
219.08235	0.7
219.11691	1.7
220.12630	0.8
221.09669	1.1
221.13275	2.1
222.10310	0.6
223.11148	3.8
223.14771	1.6
225.12778	1.5
229.10158	1.6
229.12247	1.6
230.10954	1.4
231.09984	1.5
231.11784	1.9
231.13866	2.6
232.12498	1.3
233.09660	1.3
233.13246	1.9
235.11185	1.9
235.15012	0.9
237.12764	2.7
239.10670	1.1
241.10028	1.1
241.12216	4.2
242.11011	0.8
243.11678	2.0
243.13864	3.6
244.12410	1.5
245.09628	1.5
245.13339	1.1
245.15373	17.6
246.10399	1.0
247.11159	1.2
247.14859	1.4
248.11960	0.7
249.12808	2.0
251.10686	1.7
251.14417	1.5
253.10143	0.8
254.10788	0.9
255.11586	1.2
255.13892	2.8
256.12503	1.7
257.09473	0.7
257.13235	1.8
258.13870	1.4
259.11032	1.5
259.13046	3.8
260.12082	1.0
261.12744	2.6
267.11942	1.4
268.12524	1.3
269.09698	0.8
269.13269	2.3
270.10611	1.1
270.13724	1.1
271.11057	2.1
271.14896	1.0
272.12021	1.5
272.15454	0.8
273.12631	1.3
273.14905	11.4
274.13336	0.8
275.10699	0.7
275.14340	1.8
277.12299	1.0
277.15900	0.8
279.10184	1.7
279.13571	0.8
282.14029	0.9
283.11154	1.5
283.14883	2.2
284.11880	1.6
284.15570	1.2
285.12741	2.3
285.15866	0.9
286.13718	1.5
287.14374	3.9
289.12277	2.1
289.15762	1.7
296.11856	1.4
297.12769	4.7
297.16010	1.3
298.13550	1.7
298.17111	0.9
299.10754	1.6
299.14346	3.4
299.17615	1.1
300.15048	1.3
301.15912	4.6
301.18945	1.1
302.16556	1.2
303.13751	1.7
303.17337	1.2
310.13382	0.8
311.14172	3.7
312.15085	2.6
313.12463	1.2
313.15924	2.9
313.19220	0.8
314.13116	1.1
314.16507	1.2
315.14169	1.0
315.17422	4.2
317.15417	1.7
317.18976	3.3
317.48932	0.7
323.14261	1.0
325.12296	1.2
326.16650	2.2
327.13742	1.6
327.17496	7.6
328.14484	1.2
328.18051	1.3
329.15393	4.5
329.18997	2.3
331.16852	1.3
331.20395	0.8
333.17108	1.4
339.13754	1.5
340.14563	1.3
341.15469	1.4
341.19073	5.9
345.18616	5.2
354.16278	1.8
357.18497	5.1
359.20081	5.7
361.18002	1.7
369.18445	9.0
387.19583	11.3
389.21161	4.5
391.22769	4.7
401.21127	12.2
405.20529	1.2
411.21530	0.8
419.22165	17.2
437.23044	3.9
447.21552	1.6
461.23019	1.6
479.24261	7.1
491.22397	1.1
507.23105	0.7
539.26593	3.6
541.25507	0.9
569.25861	0.8
629.27515	2.0
643.28998	4.8
661.27972	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	661.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44117	1.4
53.03937	6.2
55.01880	7.9
67.05504	2.1
69.22794	12.3
74.85028	1.2
77.03911	2.3
79.05500	3.7
81.03413	4.1
81.07069	1.4
85.70042	1.4
91.05486	11.6
93.07048	2.4
95.04993	11.9
95.08586	1.3
103.05476	1.6
105.03401	100.0
105.04543	4.3
105.07038	7.8
107.04955	1.8
107.08609	3.2
109.06528	1.4
115.05447	5.3
117.07012	7.8
119.08600	12.3
121.06480	2.9
128.06264	3.7
129.07007	8.7
130.07816	1.5
131.08585	9.1
133.10129	8.5
135.08014	2.0
141.07002	2.5
142.07808	5.2
143.08583	10.2
145.06511	9.9
145.10130	8.3
147.08060	36.9
149.09619	2.3
154.07764	1.8
155.08534	3.6
156.09349	7.2
157.06544	2.1
157.10138	16.6
158.07317	1.7
159.08058	19.7
159.11766	1.8
161.09627	23.1
163.07564	3.1
163.11201	2.9
165.06978	3.3
167.08528	1.9
169.10173	6.6
170.10925	5.1
171.08060	7.0
171.11703	31.9
173.05978	2.1
173.09625	11.3
175.07587	9.0
175.11066	1.9
179.08525	2.2
181.10216	2.2
182.10973	1.8
183.11694	13.3
185.09683	8.9
185.13269	19.8
187.07475	2.0
187.11093	2.3
189.09108	1.6
195.11713	4.0
197.09593	6.3
197.13435	2.9
198.10495	1.8
199.11177	8.8
205.12088	1.9
206.09100	1.4
207.11687	3.1
209.09758	1.7
209.13342	1.7
211.11227	3.7
213.09189	2.6
213.12740	24.6
215.10583	1.8
217.12045	1.6
219.11697	2.6
221.13461	1.8
223.11147	4.5
225.12660	1.8
229.10086	2.2
231.13795	2.6
233.13330	3.4
235.11235	1.9
235.15034	1.5
237.12749	2.8
239.10712	2.5
241.12262	2.8
243.11690	1.8
243.13927	3.0
245.13193	1.4
245.15407	20.1
251.10663	2.4
251.14432	2.5
255.13831	2.5
256.12814	1.4
257.13223	2.5
258.13898	1.5
259.11105	2.4
259.13443	3.9
260.82568	1.3
261.12793	3.4
265.12146	1.7
269.13333	1.8
270.13989	1.5
271.11136	2.3
271.14716	1.5
273.12646	1.8
273.14923	14.3
275.14090	2.6
283.14780	2.0
285.12729	3.6
286.13464	2.5
287.14322	3.3
289.12512	1.9
289.15802	2.9
297.12625	5.5
297.15942	1.8
299.14319	3.5
299.17770	2.0
301.15771	3.5
303.13840	1.7
303.17380	1.6
311.14252	3.3
312.15103	3.1
313.15988	3.1
315.17514	2.6
317.15729	1.8
317.19113	4.3
325.12161	1.6
326.16541	1.8
327.14136	2.1
327.17334	8.8
329.15323	3.9
329.18985	4.0
331.20355	2.4
339.13721	1.7
340.14438	1.7
341.19238	7.2
342.16080	2.4
345.18588	4.2
354.16125	1.8
357.18387	6.3
359.20316	6.6
361.18039	2.7
369.18427	10.1
387.19586	10.4
389.21246	6.8
391.22607	5.0
401.21198	14.1
419.16818	1.8
419.22183	21.7
437.23212	2.9
447.21655	1.9
454.11230	1.6
461.23212	1.8
479.24258	8.3
538.45148	1.7
539.26227	4.3
643.28351	4.6
661.30334	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.0
53.03951	2.9
55.01865	2.2
55.05506	3.2
56.59049	0.5
61.75330	0.5
67.05492	1.5
69.03419	0.8
69.07064	1.4
70.25779	2.3
79.05482	4.7
81.03408	1.1
81.07068	2.7
83.01320	0.8
83.04985	5.3
91.04964	0.7
91.05483	7.5
93.07035	4.4
95.01350	0.6
95.04969	4.6
95.08587	2.3
97.06538	1.0
102.04663	0.7
103.05473	49.7
105.03394	4.9
105.04497	1.1
105.07037	12.3
107.04930	1.5
107.08595	3.0
109.06521	1.8
109.10162	0.7
115.05448	2.5
117.07043	4.1
119.04958	1.0
119.08588	8.4
121.06505	1.8
121.10150	1.9
123.04419	0.5
123.08050	0.8
128.06236	2.0
129.07010	2.0
130.07779	1.1
131.04930	100.0
131.08572	5.7
132.05261	1.8
133.06502	5.5
133.09230	0.9
133.10141	9.3
135.08072	3.3
141.07001	1.3
142.07755	2.7
143.08554	6.5
145.06490	3.4
145.10132	5.9
147.08084	3.7
147.11691	1.4
149.05971	1.1
149.09654	2.8
153.06944	0.8
155.08531	3.1
156.09367	5.3
157.06548	0.7
157.10144	10.4
158.07317	0.6
159.08069	4.5
159.11696	5.0
161.05997	8.2
161.09608	4.9
161.13252	0.6
163.07555	8.9
163.09804	0.5
163.11127	2.4
165.07040	1.6
166.07803	1.0
167.08563	1.0
168.09355	1.0
169.06477	0.8
169.10107	6.4
170.10901	5.0
171.08063	4.5
171.11691	19.1
172.08887	1.2
172.12335	0.6
173.06044	0.9
173.09645	5.4
173.13284	2.2
175.07527	3.3
175.11217	2.0
177.05473	0.6
177.09116	4.1
179.07068	1.0
179.08574	1.6
179.10704	0.6
180.09311	1.1
181.10118	2.5
182.10922	1.3
183.08104	1.6
183.10037	0.9
183.11693	17.0
184.08875	1.2
184.12392	0.7
185.09631	4.4
185.13260	14.2
186.10306	0.8
187.07549	1.1
187.11127	3.3
189.05452	3.1
189.09137	3.2
189.12787	0.9
191.06891	0.6
191.10641	0.8
193.08595	0.6
193.10155	2.3
194.10884	0.8
195.11691	5.1
196.12401	0.8
197.09608	2.1
197.13249	5.2
198.10501	2.6
199.07597	1.2
199.11194	8.3
200.11903	1.5
201.09137	2.1
201.12666	3.4
203.08707	0.7
203.10591	1.3
203.14490	0.7
205.10365	0.9
205.12271	2.0
206.10869	0.9
207.11731	2.2
208.12471	1.0
209.09671	1.2
209.13251	1.7
211.11172	3.9
212.11906	0.5
213.09167	1.7
213.12752	25.2
215.10739	2.0
215.14299	0.7
217.08493	0.8
217.12219	1.3
218.10905	0.8
219.09959	0.9
219.11765	1.7
221.13248	2.7
223.11240	3.3
223.14885	0.8
225.09212	1.1
225.12798	1.5
227.10696	1.2
229.12212	2.6
230.10965	1.0
231.09886	0.9
231.11697	1.8
231.13568	3.3
232.12500	1.9
233.13333	2.7
234.14012	1.2
235.11182	1.0
235.14862	1.3
237.12775	1.5
239.10782	1.1
239.14380	0.8
241.12335	3.7
243.13829	2.1
244.12476	1.5
245.13249	1.7
245.15404	5.8
246.10223	0.6
246.13976	1.4
247.14880	2.2
248.15564	0.8
249.12849	1.0
249.16383	1.4
251.10780	0.6
251.14272	0.8
253.12216	0.8
255.13855	5.0
257.13208	1.3
257.15543	1.3
258.14117	1.3
259.15164	1.3
260.12021	0.6
260.15619	1.6
261.12756	1.1
261.16385	1.8
263.14197	0.9
263.16531	0.9
269.13300	0.7
270.14093	1.2
271.14859	1.6
273.12018	0.9
273.14780	14.0
275.12604	2.5
275.17957	0.6
277.12134	0.8
277.16052	0.6
282.13950	0.6
283.14716	0.7
285.13043	1.1
285.16513	1.7
286.13647	0.6
287.14374	1.6
287.17892	0.8
289.15802	0.9
291.15854	3.4
298.13498	1.0
299.14490	1.2
301.15854	1.3
303.13785	1.1
305.15430	0.7
311.17581	0.7
315.17200	1.3
316.14627	0.6
317.15442	1.7
319.16895	1.3
321.18481	0.8
323.19858	0.7
324.20996	0.7
329.15344	0.8
329.18991	1.3
331.16830	3.5
333.18613	2.5
335.16187	0.7
343.16953	4.4
345.14771	0.7
345.18573	1.8
347.20026	2.1
351.19705	1.4
355.16568	0.7
357.18475	5.9
359.16095	0.8
361.18155	3.5
363.19717	0.7
373.17984	3.0
375.19598	6.3
377.17258	0.7
379.19101	0.6
385.18100	3.3
391.19095	1.8
393.20721	1.9
403.19064	8.1
405.20691	2.6
407.22498	1.2
409.20261	0.8
417.20703	4.1
419.18564	0.8
421.20206	4.9
423.21747	0.8
433.19934	0.8
435.21661	8.3
451.21198	0.8
453.22897	3.9
469.22437	0.8
495.23816	1.4
661.29602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.4
54.35786	4.1
55.01858	17.6
55.05502	6.8
56.55574	4.2
67.05486	20.3
69.03426	9.6
71.04972	5.6
72.90708	4.7
72.92039	4.3
77.03887	4.6
79.05495	18.3
81.03413	14.4
81.07030	5.6
83.04985	6.0
88.14689	4.8
91.05472	29.7
93.07018	14.5
95.01308	9.1
95.04974	41.8
95.08576	4.4
97.06536	5.8
103.05448	16.5
105.03387	19.0
105.07038	66.7
107.04940	13.0
107.08597	5.1
109.06530	12.1
109.10197	5.6
110.84123	4.9
115.05441	12.2
117.06993	21.8
119.04922	11.8
119.08562	16.1
121.06529	13.3
123.04501	7.9
123.08068	5.2
125.05978	8.8
128.06206	17.4
129.06990	18.6
131.04919	7.1
131.08585	27.2
133.06482	58.3
133.10095	8.0
135.04370	5.2
135.08043	17.3
137.05977	9.3
139.03859	5.9
141.06978	17.3
142.07794	9.9
143.08603	23.1
145.02937	7.1
145.06471	24.3
145.10114	13.5
147.08032	13.2
149.02074	5.1
149.06004	11.5
151.03947	4.9
151.07610	6.3
153.06964	8.4
154.07788	9.4
155.08578	19.8
156.09328	9.4
157.06546	6.8
157.10141	19.2
159.04341	5.3
159.08063	30.8
159.11737	7.7
161.06001	100.0
161.09636	10.9
163.07526	27.6
165.07018	11.4
166.07787	5.7
167.08490	7.9
169.06453	16.1
169.10143	23.6
170.07153	4.7
170.10837	7.5
171.08044	15.6
171.11661	15.9
173.06007	7.7
173.09618	20.1
175.07555	13.5
177.05440	6.3
178.07785	8.6
179.07109	11.7
179.08568	14.9
181.10100	8.6
183.08043	23.3
183.11652	10.1
184.08746	8.9
185.05978	7.0
185.09633	26.5
185.13206	7.6
187.07564	16.7
187.11124	11.4
189.09125	10.5
191.07089	5.6
192.09369	7.5
193.10081	7.2
195.08101	13.2
195.11745	8.7
197.09625	54.2
198.10306	7.1
199.07498	19.5
199.11192	30.3
201.09090	11.7
203.07013	7.6
205.08498	9.9
207.08070	11.7
209.09546	17.5
211.07538	13.8
211.11084	8.9
213.09125	36.4
213.12738	19.4
215.10677	14.7
217.08569	14.0
223.07552	10.9
223.11241	11.2
225.05580	8.9
225.09125	74.6
227.10713	9.9
229.08617	13.6
229.12144	9.2
235.07481	9.2
235.11276	8.2
237.09079	8.4
239.10689	12.3
241.08478	27.5
243.10086	18.7
245.07851	6.8
245.73254	5.6
247.09546	8.4
249.09166	6.8
251.10667	6.4
253.08434	7.9
253.12297	5.9
255.10039	9.7
257.07947	27.7
257.11697	15.3
259.09558	13.3
267.10117	10.6
273.11115	5.5
273.14923	5.2
275.09210	5.2
283.09540	9.3
285.11160	29.3
300.11536	6.0
301.10825	8.3
303.12396	14.1
315.13763	9.0
343.13437	6.0
355.13351	9.7
357.14783	12.9
359.16293	5.7
367.13400	6.0
373.15692	8.5
375.15836	11.9
377.17532	8.2
385.14169	19.5
389.15717	11.9
393.16632	5.9
395.18100	5.7
401.13525	5.2
403.15570	24.0
405.17126	6.5
413.13800	8.8
417.17026	7.3
419.14871	11.3
421.16217	8.6
427.15518	5.2
431.14801	10.5
433.17987	21.9
435.17871	6.1
445.16275	18.5
449.15698	10.1
451.17374	20.5
463.17477	49.0
481.18732	40.1
523.21796	5.3
533.21655	9.3
539.22565	20.5
541.20410	12.8
551.22668	42.0
569.23566	38.9
611.24670	21.2
629.25775	15.8
661.28888	20.5
688.64917	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	661.251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
53.52273	1.1
55.01870	1.6
55.05308	1.1
55.05508	13.0
60.92558	1.1
65.03940	1.8
67.05494	2.2
69.03439	2.4
69.07067	2.1
71.19803	1.5
71.20169	1.9
79.05479	4.7
81.07047	3.8
83.04980	19.1
91.05468	8.5
93.07037	6.7
93.69547	1.1
95.04975	4.3
95.08591	2.6
97.06525	1.2
103.05467	21.7
104.05849	1.7
105.03383	8.2
105.07029	11.6
107.04967	1.8
107.08564	4.2
109.06522	3.7
115.05422	2.7
117.06997	6.3
119.04952	2.3
119.08573	10.3
120.17373	1.2
121.06519	2.7
121.10154	2.7
123.08032	2.2
128.06198	2.1
129.06972	3.5
130.60608	1.2
131.04930	35.7
131.08612	6.3
133.06487	5.3
133.10152	7.6
135.08034	3.6
136.92975	1.1
141.06937	1.6
142.07755	3.3
143.08556	5.5
145.06500	3.6
145.10107	5.2
147.04393	1.4
147.08063	4.2
149.05966	2.6
149.09647	3.4
153.07054	1.4
155.08562	4.2
156.09334	5.3
157.10147	11.1
159.08055	5.8
159.11679	4.6
161.05963	5.1
161.09625	4.3
163.07541	4.6
163.11270	1.5
167.08534	2.2
169.06573	1.9
169.10114	7.0
170.10919	4.8
171.08046	4.9
171.11697	19.1
172.08788	1.4
172.12074	1.4
173.05978	2.5
173.09680	5.7
173.13290	1.4
175.07564	3.4
175.11194	1.9
177.05511	3.1
177.09109	3.3
181.10132	3.4
182.10843	1.6
183.08058	2.6
183.11681	13.9
184.08788	1.3
184.12132	1.5
185.09590	4.4
185.13268	12.8
187.11157	3.9
189.09151	2.4
191.07108	1.6
193.10181	2.4
195.11728	6.0
197.09627	3.8
197.13271	3.9
198.10432	2.8
199.07524	1.6
199.11218	7.3
201.09096	2.0
201.12791	4.2
205.12276	1.7
206.10963	1.6
207.11676	1.8
209.09612	2.0
211.11157	5.2
213.09152	2.1
213.12755	19.3
215.10606	2.3
217.08582	1.8
217.12299	2.3
220.12312	1.3
221.13243	3.3
223.11253	2.7
231.10002	2.4
231.11874	2.4
231.13857	4.4
233.13275	3.0
234.14079	1.2
235.14740	1.8
237.12770	2.8
239.10707	1.8
241.12329	2.0
243.13852	2.9
244.12364	2.3
245.13286	1.8
245.15402	4.4
246.13896	1.7
247.11131	2.8
247.14902	1.5
249.12663	1.5
249.16307	1.5
255.13922	2.0
257.13239	2.4
258.13797	1.9
259.13339	2.7
261.12628	2.0
261.16794	1.6
270.13879	1.2
271.14706	1.9
272.15558	1.4
273.14719	7.2
275.14374	1.5
285.16525	2.2
287.14417	1.5
289.15756	1.9
291.15854	2.9
297.15881	1.4
299.14142	2.3
301.12149	1.4
303.17343	2.4
313.15973	1.4
315.17480	2.0
317.15344	2.6
331.16953	3.3
333.18561	1.9
343.16724	3.9
345.18417	2.3
349.18060	2.6
357.18747	1.8
361.17630	3.1
363.19534	3.0
373.17831	2.6
375.19391	3.4
377.17242	2.2
385.18213	1.6
391.18909	2.6
401.16266	1.5
403.18802	4.9
405.20956	2.4
409.20209	3.7
417.20691	2.9
419.18146	2.0
421.20248	4.6
423.21478	3.4
425.16199	2.8
426.16690	1.9
429.15576	2.0
431.17151	4.9
433.20001	1.9
435.21570	5.0
435.27414	1.3
439.13971	1.8
439.20959	1.6
440.18997	2.7
441.15143	2.0
443.17426	2.4
444.18063	1.6
451.21582	2.2
453.15695	5.9
453.21713	1.6
454.16461	3.4
455.17160	2.3
456.18021	4.0
457.15137	4.1
467.17126	4.7
468.18640	8.3
469.18909	7.1
470.19296	2.6
471.16605	2.4
472.17392	3.7
481.14835	2.4
482.15359	6.7
483.16098	2.3
484.20947	1.6
487.23120	4.1
495.16376	1.6
496.17426	12.7
497.18130	21.0
498.18802	2.1
499.15967	2.0
511.19986	2.4
513.17688	3.5
514.18457	7.9
515.19214	1.8
524.16815	14.3
525.17432	1.9
528.20111	6.3
529.20764	4.2
530.21271	2.3
541.17267	1.4
553.20764	3.6
555.18738	3.4
556.19342	5.8
569.20221	10.9
570.20782	2.4
587.21741	3.7
597.19818	20.4
601.22894	3.0
609.30212	2.8
618.22760	4.3
619.24042	3.9
629.22449	100.0
630.22406	4.4
661.24884	67.0
662.24750	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	661.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05525	4.9
58.26336	1.0
62.72167	0.8
65.72124	0.7
67.05476	0.9
69.26170	7.2
69.26571	1.7
79.05482	1.3
83.04976	7.0
91.05489	2.2
93.07047	2.4
95.04939	1.0
95.08633	1.3
96.01465	0.8
98.21568	1.7
103.05458	2.5
105.03395	2.6
105.07037	4.4
107.04966	1.2
109.06537	1.0
117.07000	1.4
119.08585	3.3
121.06489	1.1
121.10184	1.4
128.06223	0.9
129.07014	1.1
131.04938	6.9
131.08588	2.5
133.06499	2.2
133.10164	2.4
135.08080	1.3
143.08578	2.2
145.10191	1.4
147.08078	1.5
149.06085	1.0
149.09639	1.3
156.09340	2.0
157.10135	4.7
159.11707	1.3
161.06015	1.0
161.09549	1.0
169.10133	2.0
171.08070	1.3
171.11684	5.3
173.09607	2.6
175.07570	2.0
177.44910	0.9
183.08041	1.3
183.11748	3.8
185.09613	1.0
185.13234	3.9
187.11212	2.0
193.10178	1.2
195.03893	0.9
195.11627	0.8
197.13255	1.3
199.11177	3.0
213.12700	5.2
229.12289	1.2
231.13934	1.5
235.14883	1.4
237.12866	1.1
244.12354	1.1
245.13356	1.1
245.15515	1.0
249.12605	1.0
255.11671	1.2
259.15125	1.0
261.16620	1.3
285.13138	0.9
287.17834	0.9
299.14313	1.3
301.15820	0.9
345.18625	1.7
355.17096	0.9
361.17825	1.5
391.19205	1.6
394.17267	1.1
401.16791	1.9
403.18771	1.3
409.20142	1.0
415.13831	1.7
416.18939	1.8
417.16663	1.5
419.18103	1.4
421.20132	1.7
428.15210	1.4
429.15704	6.0
430.16486	3.8
431.17288	6.1
433.19754	1.1
435.17941	1.1
437.19852	1.1
441.15683	1.2
442.16821	2.0
443.12640	1.4
443.17551	2.5
444.18124	10.7
445.18863	3.2
454.16473	3.3
455.17188	3.4
456.18365	4.3
457.14511	18.5
467.17654	1.7
468.17783	1.8
469.18799	3.6
471.15991	7.1
472.07193	1.0
472.17474	25.3
473.18137	3.5
482.15854	2.3
483.16196	1.8
489.17621	1.0
496.17496	1.6
497.18103	10.8
500.17136	2.5
501.17941	2.3
515.19391	3.0
516.20160	1.6
524.16888	1.8
528.20239	1.3
530.21838	1.5
531.22534	9.9
556.19434	8.1
559.21936	68.6
560.22406	4.2
569.20404	2.0
587.21704	5.5
597.20203	2.4
618.23138	3.5
619.24011	90.2
620.23535	4.2
629.22253	16.9
643.23877	2.0
661.25031	100.0
662.25287	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	661.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01880	10.3
55.05493	2.7
57.03413	2.2
58.27635	2.1
59.23881	1.9
67.05495	7.1
69.03429	5.4
70.06586	2.6
71.55958	1.8
71.56312	1.7
75.04487	2.7
79.05485	9.9
81.03409	11.0
81.07039	7.0
83.04967	3.9
85.02913	3.1
91.05482	15.5
93.07050	10.2
94.26164	1.9
95.04960	18.5
95.08599	6.1
103.05444	4.8
105.03349	2.5
105.07034	31.2
107.04955	4.7
107.08601	4.4
109.02866	2.2
109.06512	5.2
115.05468	9.0
117.07013	9.1
119.04912	5.1
119.08573	8.7
121.02852	1.8
121.06511	9.8
123.04410	2.7
123.08062	2.4
125.05981	5.4
128.06206	10.0
129.07005	9.4
131.04895	2.7
131.08575	15.8
133.06483	31.3
133.10143	4.9
135.04361	4.3
135.08047	8.1
137.05936	6.0
141.06999	10.1
142.07742	9.2
143.08554	22.2
145.06522	11.4
145.10144	4.7
146.07190	2.2
147.04361	2.5
147.08046	6.8
149.05971	5.7
149.09595	3.4
151.07547	3.4
153.05588	2.4
153.07037	4.7
154.07800	5.7
155.08540	10.7
156.09341	19.8
157.06474	6.8
157.10153	12.1
158.07272	5.4
159.04373	2.3
159.08051	13.2
159.11710	5.8
161.05988	57.3
161.09637	5.8
163.07539	8.4
165.05499	2.5
165.06992	5.3
166.07782	2.7
167.08557	6.3
168.09354	3.1
169.06485	8.5
169.10146	17.1
170.07248	2.9
170.10846	2.4
171.08006	11.4
171.11696	22.3
172.08763	2.9
173.05956	4.9
173.09656	8.2
175.07593	2.6
177.05475	3.3
177.09097	3.1
179.06998	7.1
179.08563	8.4
180.09291	2.8
181.06609	2.0
181.10109	7.5
182.07300	6.8
183.07990	14.4
183.11681	5.7
184.08769	11.1
185.06018	2.1
185.09604	12.6
185.13335	2.9
187.07550	8.6
187.11169	7.5
189.09184	3.5
191.07104	3.5
191.08704	2.6
192.09343	3.6
193.10129	7.4
195.08080	6.9
195.11659	4.8
197.09625	24.8
198.10376	4.7
199.07518	6.0
199.11183	100.0
201.09129	5.7
201.12631	1.9
203.07027	5.2
205.08545	3.2
205.10210	3.1
207.08195	3.7
207.11716	4.4
209.09608	8.0
209.13304	2.8
211.07576	5.3
211.11185	7.6
213.05685	2.0
213.09068	13.0
213.12750	2.9
215.06967	3.1
215.10542	9.7
217.08580	6.7
217.10376	3.4
217.12143	3.5
219.10097	2.2
221.09630	5.7
221.12984	2.0
223.07507	6.3
223.11179	6.8
224.08182	2.1
225.09113	42.1
225.12646	2.9
227.07062	3.5
227.10704	5.5
229.08502	4.6
229.12189	3.2
231.11821	2.5
235.07527	4.7
235.09512	3.4
236.45091	2.0
237.09032	3.6
237.12729	3.2
239.10661	4.7
241.08525	13.7
241.12306	2.7
243.09927	11.6
245.07863	5.2
245.13374	2.2
247.07457	2.2
247.09578	5.3
249.09082	3.2
251.10748	4.5
252.11378	2.2
253.08466	3.6
253.12402	2.6
255.10085	3.7
257.07895	10.5
257.11749	8.3
259.09705	5.8
263.10657	2.8
267.05771	2.3
267.10178	6.0
271.09747	6.4
274.13327	2.8
275.14233	3.0
281.11920	4.4
285.11105	15.8
289.12213	3.0
291.13446	2.8
296.12164	2.3
301.11569	3.5
303.12335	7.5
303.17438	2.1
313.12018	4.4
315.13898	2.9
317.15396	3.1
329.15338	4.7
331.16971	3.6
339.13452	1.9
341.15085	3.4
343.13202	2.9
347.16464	3.4
357.14957	4.4
359.16391	5.5
367.12930	2.3
373.14426	4.5
375.15970	3.4
377.17410	7.0
385.14432	5.6
387.14651	8.9
395.18430	6.6
401.13840	3.6
403.14810	9.0
405.16650	4.3
413.13690	3.3
419.14938	3.7
421.16367	4.4
431.14645	4.9
433.16644	3.4
437.19644	2.6
445.16330	7.5
447.16522	24.9
451.17322	6.6
463.17560	16.2
469.18451	7.7
481.18872	12.6
499.19611	2.4
523.19720	2.4
553.20746	3.9
565.20740	10.6
583.21716	12.6
625.22943	6.9
643.23608	5.5
661.24023	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.0
53.03943	6.4
55.01884	3.0
55.05515	23.0
57.03432	7.5
62.64080	1.8
64.38242	1.7
65.03948	4.8
66.89374	1.9
67.05508	93.8
69.07070	24.1
70.79808	4.3
70.80172	4.1
71.04993	2.9
77.03920	2.3
79.05497	78.9
81.07060	86.5
83.04981	6.1
83.08615	12.5
85.06549	3.5
91.05488	100.0
91.42461	2.0
93.07048	81.5
95.04965	6.2
95.08611	55.8
97.06543	10.6
97.10175	6.7
99.08092	2.6
103.05498	2.1
105.07033	54.2
107.08607	37.3
109.06536	3.6
109.10169	14.8
111.08083	3.4
115.05446	3.6
117.07022	26.5
119.08591	41.6
121.10146	58.2
123.08060	3.7
123.11712	6.1
125.09623	3.8
128.06258	3.3
129.06999	9.4
131.08580	54.0
132.62595	2.2
133.10133	38.7
135.08047	4.8
135.11687	30.7
136.17320	2.2
137.09641	2.9
141.07053	4.1
143.08609	6.4
145.10126	23.0
147.11685	17.8
149.09637	2.2
149.13257	7.7
155.08528	3.6
157.10114	10.8
159.11700	13.5
161.13261	7.3
169.10100	7.1
171.11687	9.8
173.13275	4.3
177.12701	4.5
182.67273	2.1
183.11743	3.6
185.13243	4.4
197.13301	3.5
211.14690	2.8
213.05470	1.9
229.19443	2.4
231.26921	2.1
239.14182	2.4
241.19547	3.9
257.18948	6.6
259.20645	13.6
275.20059	14.8
277.21667	8.9
304.62161	1.9
315.23148	3.0
333.24274	27.4
349.23749	75.5
351.25302	90.8
432.78577	2.2
554.46277	2.2
583.26880	2.1
607.43542	17.1
625.44659	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95174	3.5
53.03924	4.0
54.70095	3.6
55.05526	18.4
57.03435	10.4
67.05172	6.2
67.05508	88.9
69.07079	22.4
69.46094	9.2
69.46507	19.0
71.04971	4.8
79.05499	70.7
80.98939	3.8
81.07061	78.0
83.04958	4.1
83.08603	15.3
89.06047	3.9
91.05486	100.0
93.06491	4.3
93.07050	65.2
95.04952	7.2
95.08614	47.0
97.06518	10.3
105.07037	53.1
107.08603	38.7
107.89315	3.4
109.10137	12.2
117.07020	27.6
119.08597	44.5
121.10159	45.5
129.07005	11.7
131.08572	55.3
133.10121	49.1
135.11693	22.9
143.08524	7.0
145.10168	22.7
147.11679	18.6
149.13228	4.6
149.50677	4.2
157.10106	15.2
159.11717	13.4
161.13254	10.3
169.10146	4.8
171.11659	10.0
173.13217	7.7
185.13223	5.6
257.19009	8.4
259.20523	11.8
275.20087	19.6
277.21811	5.5
333.24261	38.4
349.23755	74.3
351.25269	59.6
402.87268	4.6
607.43158	13.8
625.44592	40.1
660.45612	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	660.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.01879	3.4
55.05515	31.7
57.03439	8.9
57.21725	1.5
63.75233	1.8
65.03930	5.1
67.05509	87.4
69.06789	1.6
69.07074	20.3
71.04984	5.5
71.15906	2.3
77.67114	1.8
79.05496	79.0
81.07063	89.7
83.04977	6.2
83.08618	13.4
85.06526	2.5
91.05487	100.0
91.68158	1.5
93.07048	67.0
95.04989	6.5
95.08613	47.9
97.06547	10.4
97.10177	6.1
98.21626	1.6
99.08085	2.3
103.05485	1.6
104.29977	1.6
105.07042	51.5
107.04928	2.8
107.08598	35.1
109.06519	3.1
109.10158	16.9
111.08087	4.0
115.05444	4.1
117.07020	27.8
119.08591	41.7
121.06350	1.8
121.10154	47.6
123.08052	4.3
123.11764	2.3
125.09627	2.8
128.06218	7.3
129.07004	17.2
129.76823	1.7
130.07835	3.7
131.08582	66.8
133.10132	33.8
135.08057	3.6
135.11716	23.3
137.09613	3.5
141.06995	6.8
142.07776	2.9
143.08578	30.3
145.10132	44.5
147.08023	4.0
147.11694	14.6
149.09645	3.4
149.13280	6.5
151.06169	2.1
151.11145	1.8
155.08522	5.9
157.10141	14.5
159.11720	16.9
161.09593	3.6
161.13258	6.9
163.11195	2.8
169.10127	5.8
171.11668	13.2
173.11855	2.2
173.13272	5.6
175.14818	2.8
177.12776	4.2
181.10153	4.9
183.11699	6.5
185.13260	5.2
187.14804	2.2
195.11667	6.5
195.13512	1.9
197.13316	3.3
227.18030	2.8
237.16383	7.5
239.18051	1.8
255.17438	7.5
257.19016	3.9
259.20587	11.3
273.18484	19.4
275.10172	2.2
275.20123	11.4
277.21588	9.4
329.21387	1.9
331.22531	2.1
333.24182	15.2
335.25784	28.3
347.22131	14.3
349.23773	46.4
351.25296	64.4
445.32120	1.7
607.43622	32.5
625.44647	82.1
660.46985	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	660.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47018	3.5
53.03959	5.7
55.01878	21.7
55.05515	35.9
67.05506	15.9
69.03427	14.8
69.07069	8.9
77.37624	3.7
79.05507	23.9
81.03421	14.4
81.07064	22.9
83.04994	65.0
85.06563	5.0
91.05485	35.8
93.07056	23.8
95.04972	18.4
95.08649	9.8
97.06557	6.1
100.46677	3.8
103.05466	15.3
105.07027	23.4
107.04929	4.0
107.08614	14.1
109.06549	7.6
109.10169	8.8
115.05509	8.8
117.07017	21.1
119.08588	46.7
121.06532	13.1
121.10157	5.7
123.08069	6.4
128.06258	6.9
129.07011	26.7
131.04944	16.8
131.08582	27.1
133.06523	5.3
133.10155	30.5
135.08080	7.9
135.11700	5.3
137.09608	7.6
141.07014	5.3
142.07755	14.1
143.08572	25.0
145.06468	19.8
145.10124	20.5
145.72647	4.6
147.08063	100.0
149.09669	5.9
153.07120	4.1
154.07787	4.3
155.08548	10.1
156.09338	14.3
157.10147	37.6
159.08102	40.6
159.11728	12.6
161.05981	5.7
161.09628	55.7
163.07593	18.8
168.09419	5.0
169.10187	17.3
170.10959	8.2
171.08099	17.7
171.11696	60.5
173.06050	7.4
173.09615	22.4
173.13281	6.4
175.07590	13.4
179.08475	6.2
179.10719	5.7
181.10118	9.0
183.11746	36.4
184.08794	8.8
185.09694	28.4
185.13284	52.2
187.07457	4.7
187.11171	15.3
189.09177	7.5
193.10205	8.5
195.11728	11.7
197.09578	10.1
197.13263	10.5
198.10422	5.5
199.11220	41.2
201.09209	6.2
201.12791	8.8
206.10901	4.8
207.11717	8.4
208.12328	5.2
209.09694	4.7
209.13368	7.1
211.11166	9.2
213.09380	5.2
213.12775	65.0
215.10722	4.9
217.08739	5.7
217.12302	6.7
221.13339	5.5
223.11232	10.0
223.14880	3.9
225.12886	4.8
229.10007	4.4
229.12224	11.1
231.13829	10.2
235.11284	5.2
235.14954	4.7
237.12720	6.9
239.10643	6.2
241.12367	12.1
243.13783	9.2
245.15437	34.3
247.14839	6.5
249.12616	6.3
253.12271	5.2
255.13774	7.9
259.10938	6.0
259.13248	23.6
261.12796	8.2
263.16620	5.7
269.13077	6.1
269.17523	10.9
273.14838	25.1
275.14221	5.4
279.20172	3.9
283.10977	4.5
287.14243	5.1
288.14899	4.9
291.16046	30.8
297.12723	13.0
299.14319	6.4
301.15845	9.1
302.16653	5.0
312.15039	6.8
313.12332	4.4
313.15732	5.6
315.17511	6.4
323.16736	5.5
326.16687	6.1
327.17444	24.1
328.18213	5.9
330.16068	5.1
331.20392	4.6
341.18979	12.0
345.14853	5.6
345.18597	17.9
355.18924	4.2
358.15164	4.0
359.20078	17.1
361.18106	4.8
369.18405	9.6
387.19598	24.5
389.21216	9.7
391.22583	9.5
401.21072	25.4
405.20496	14.8
419.22253	71.9
437.23468	51.8
447.21689	6.3
461.23129	5.3
463.30447	30.8
465.22818	22.3
479.24478	25.0
497.25592	33.5
519.27856	5.9
565.28180	11.0
579.29358	12.4
583.28717	24.0
597.30774	27.1
660.36334	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	660.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48598	2.4
55.01883	18.1
55.05515	8.2
59.11066	2.4
67.05502	9.8
69.03441	39.0
69.07081	8.7
69.21533	10.6
69.21957	16.8
70.06590	3.8
79.05492	12.2
81.03421	14.4
81.07050	11.4
82.29487	2.5
83.04991	9.6
84.08138	2.9
85.02855	2.8
85.06511	3.1
88.07649	4.1
91.05492	29.6
93.07055	13.1
94.17424	3.0
95.04963	14.9
95.08620	11.1
97.06535	6.0
102.09211	3.6
103.05452	5.9
105.07048	27.9
107.04958	6.8
107.08604	10.3
109.06526	10.1
109.10171	6.7
115.05472	10.4
117.07037	22.1
119.08588	33.6
121.06504	8.7
121.10174	6.0
128.06230	8.3
129.07040	23.5
131.04938	6.4
131.08578	21.5
133.06496	7.8
133.10133	29.8
135.08083	6.6
137.09605	5.6
141.06996	4.8
142.07779	12.5
143.08554	29.8
145.06496	16.4
145.10143	24.6
147.08046	100.0
149.02367	6.7
149.09636	4.4
154.07759	4.0
155.08583	8.1
156.09355	20.9
157.06508	4.8
157.10152	34.5
158.10468	3.0
159.08061	42.0
159.11700	10.3
161.09647	59.6
163.07579	11.1
163.11246	6.3
165.07089	4.9
165.09232	4.7
166.07814	3.4
167.08562	6.3
169.10098	20.6
170.10880	10.6
171.08052	22.7
171.11707	52.3
173.06024	9.0
173.09628	26.3
173.13292	4.4
175.07573	10.1
175.11125	6.7
179.08604	3.9
179.10733	10.3
181.10059	6.9
183.08069	6.5
183.11693	25.4
184.08809	4.5
185.09674	21.2
185.13269	51.3
187.07588	8.8
187.11232	16.3
189.09145	6.0
193.05019	6.4
193.10185	4.6
194.05374	4.4
195.08000	3.7
195.11713	11.0
196.08936	3.4
197.09679	9.9
197.13274	10.7
198.10455	8.8
199.07622	3.5
199.11197	34.4
200.11865	3.4
201.12752	8.0
203.10666	4.7
203.14366	4.1
205.12276	4.2
207.11726	3.8
209.09601	7.0
209.13298	3.5
211.11220	11.8
213.09351	5.5
213.12761	56.4
215.10727	6.3
215.14221	3.1
217.12215	6.8
220.12303	3.2
221.09703	5.4
221.13258	7.8
223.11148	11.1
225.12845	3.3
227.10747	3.3
229.10196	3.9
229.12257	6.8
231.10126	8.0
231.13869	12.6
233.09662	5.4
235.11131	7.8
237.12814	7.0
239.10666	5.4
241.12271	9.0
242.11180	2.8
243.10034	5.5
243.13843	9.6
244.12500	4.6
245.13438	4.8
245.15430	28.0
248.12090	4.0
249.12770	10.1
251.14464	3.9
255.13832	10.7
256.26474	3.4
257.13266	5.7
257.26791	2.9
258.14029	3.9
259.13193	25.2
261.12686	7.5
263.14105	4.9
263.16602	5.8
269.13232	5.7
273.12396	3.6
273.14938	25.0
275.14166	5.2
277.12241	4.9
277.15924	4.9
281.15524	3.4
283.14871	3.8
285.12784	7.9
285.16257	4.8
286.13412	4.7
287.14371	6.7
289.12613	3.8
291.15982	20.0
297.12790	8.4
298.13696	3.7
299.14392	3.5
299.17883	4.3
301.15942	9.1
311.14236	7.1
312.15186	8.1
313.15881	8.8
314.16635	3.3
315.17477	14.7
317.15497	4.1
317.19058	7.7
323.16351	6.2
326.16769	4.0
327.13867	4.4
327.17438	30.5
328.18082	5.4
329.15372	6.8
329.18991	4.8
331.20615	4.9
332.53067	3.5
341.19070	16.8
345.18469	12.5
357.18469	4.1
359.19968	13.3
369.18527	4.4
375.19446	4.4
377.21167	4.6
387.19522	29.7
389.21054	10.2
391.22589	8.4
401.21118	35.9
405.20581	21.2
407.22220	6.9
419.22241	68.7
431.12085	4.1
437.23328	62.9
447.21445	4.7
461.23343	7.6
463.30417	6.4
465.22870	24.8
472.59763	3.2
479.24164	21.3
497.25381	36.0
505.25903	4.0
523.27039	6.2
551.26282	15.4
565.27710	18.2
583.29083	71.9
597.30463	5.4
660.28052	2.7
660.36786	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.9
55.01876	3.6
55.05515	28.6
57.03430	7.9
57.07072	3.6
63.72522	2.7
65.03945	6.3
67.05509	99.7
69.07072	19.6
70.60769	6.1
71.05000	7.7
79.05499	68.9
81.07064	100.0
83.08627	16.0
85.06567	3.7
91.05490	92.5
93.07053	70.3
95.04989	7.3
95.08056	4.7
95.08614	64.9
97.06542	9.1
97.10162	6.0
99.08120	3.9
103.05479	2.9
105.04535	3.1
105.07039	45.2
107.04960	4.1
107.08601	34.1
109.06495	4.7
109.10163	24.1
111.08121	6.0
115.05450	6.6
117.06222	4.3
117.07030	57.8
119.08589	36.9
121.10152	44.6
123.08073	5.5
123.11692	4.2
125.09601	6.4
128.06223	2.4
129.07008	13.7
131.08574	57.5
132.67790	2.6
133.10127	32.4
135.08020	3.5
135.11697	25.7
137.09575	4.3
137.13228	3.4
141.06946	5.1
143.08582	14.4
145.10126	31.4
147.11699	21.4
149.09621	6.2
149.13269	11.5
155.08525	5.1
157.10138	11.7
159.11702	23.5
161.13251	13.8
163.11171	3.0
164.04274	2.4
169.10098	6.8
171.11705	11.0
173.13206	11.9
175.14838	4.0
177.12753	4.7
179.14432	3.6
183.11745	8.4
185.13347	5.3
195.11801	2.7
197.13205	3.0
211.14859	3.5
239.17924	12.0
243.21005	3.2
257.19055	37.4
259.20523	15.5
261.22202	5.8
269.27481	2.5
275.20074	25.6
276.20493	3.0
277.21701	5.8
301.30023	2.6
317.25079	2.9
331.22714	22.7
333.24167	16.2
335.25803	43.4
349.23846	13.1
351.25333	8.9
353.26920	12.6
529.38354	3.1
535.41534	3.9
609.37122	3.1
609.45294	26.5
624.43237	5.9
627.46130	20.1
641.47614	13.1
659.44751	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	659.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.8
55.01869	7.8
55.05518	28.6
57.03446	23.5
57.07073	2.3
61.02933	85.2
65.03944	2.0
67.05512	45.4
69.03433	36.2
69.07088	10.2
69.36222	1.8
69.36566	18.3
70.06596	3.7
71.01344	2.9
71.04987	8.2
73.02930	24.1
75.04501	3.2
79.05501	32.9
81.03426	29.1
81.07067	52.2
83.04987	34.4
83.08618	3.2
85.02912	100.0
85.06596	2.1
87.04469	4.2
88.07642	2.9
90.54182	2.2
91.03407	3.6
91.03963	54.1
91.05489	29.8
93.07050	34.8
95.04982	13.7
95.08620	39.2
97.02904	73.8
97.06561	4.8
97.10164	2.6
99.04461	13.4
101.02402	9.4
103.03963	9.7
103.05460	7.0
105.03400	27.4
105.07034	21.2
107.04958	4.5
107.08593	19.5
109.02903	15.4
109.06548	5.2
109.10163	17.5
110.97708	2.2
111.04440	3.9
111.08083	2.8
115.03943	7.7
115.05460	6.7
116.06276	2.7
117.05466	2.0
117.07027	13.9
119.04976	2.4
119.08602	27.4
121.10156	16.3
123.11726	7.5
127.03921	36.1
128.06200	5.1
129.05453	5.0
129.07021	11.5
131.04942	7.9
131.08583	22.4
133.06502	4.3
133.10141	15.8
135.08061	3.5
135.11699	14.1
137.13240	2.4
141.07018	4.7
142.07794	5.4
143.08557	11.7
145.04980	18.3
145.06479	8.4
145.10146	18.4
147.08054	23.3
147.11711	8.1
149.02364	3.2
149.09669	4.1
149.13248	6.7
151.14832	2.4
155.08557	4.6
156.09360	7.5
157.10115	18.9
159.06664	4.5
159.08049	28.9
159.11691	13.9
161.05980	3.6
161.09665	17.9
161.13277	7.0
163.06017	6.7
163.07544	5.5
163.11147	3.0
163.14847	4.9
169.10127	10.0
171.08052	6.2
171.11707	24.0
173.06044	5.1
173.09651	8.5
173.13301	7.9
175.07590	4.0
175.14835	4.9
179.08545	2.3
180.09308	2.3
181.10199	4.0
183.06522	12.4
183.08052	4.1
183.11696	11.5
185.09641	7.7
185.13271	17.2
187.07578	3.6
187.11192	7.8
187.14774	4.6
189.12738	2.9
193.04984	5.0
193.10164	3.7
195.07959	2.3
195.11792	4.6
197.09663	4.8
197.13231	3.2
199.11143	10.5
201.07625	10.5
207.11673	3.5
209.09628	3.1
211.11169	3.6
213.12817	17.1
215.10608	2.7
215.17950	2.7
217.12314	3.2
219.08612	2.5
219.11702	2.1
221.13274	3.5
223.11035	2.5
225.09099	3.0
229.12283	5.3
231.13873	5.8
241.12279	4.6
243.14012	2.3
243.21088	5.4
245.15375	8.5
247.13283	2.5
256.26355	2.9
257.26404	2.4
261.22162	19.2
263.16431	2.7
273.14960	10.9
279.23276	2.4
283.11493	2.6
285.22223	3.8
287.14200	2.6
291.16208	3.4
301.15817	2.7
303.23300	4.1
303.49557	2.1
311.14578	2.4
313.12286	2.6
313.15753	2.5
315.17471	4.6
317.19180	4.0
320.77615	2.3
326.17166	2.2
327.13837	3.0
329.15250	3.7
332.64209	2.8
335.25836	94.6
343.16931	2.6
348.33145	2.8
357.18619	4.2
359.20419	3.6
363.25519	2.3
369.24396	4.2
377.27011	3.6
387.19681	6.2
389.21143	4.6
401.21143	4.6
405.20621	6.9
419.22336	10.1
437.23187	12.5
443.28046	3.7
461.28851	3.9
479.30106	8.9
497.31229	4.9
641.29932	2.0
659.37396	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	659.321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	3.3
53.03942	9.3
55.01875	8.1
55.05514	17.5
61.02913	2.1
67.05493	5.8
69.03424	3.2
69.07044	2.1
70.06559	2.1
71.55972	1.5
71.56397	1.7
77.87653	1.6
79.05489	6.1
81.03413	6.7
81.07047	7.3
83.04984	26.0
88.07638	4.0
91.05482	21.8
93.07043	7.6
95.04974	11.4
95.08617	3.6
97.02885	1.6
97.06579	1.8
102.09206	1.9
103.05457	4.3
105.03399	100.0
105.07034	12.4
107.04943	4.6
107.08560	3.5
109.06547	2.5
109.10115	2.2
115.05464	7.3
116.06272	2.3
117.07021	11.3
119.08595	19.4
121.06494	3.2
121.10137	3.1
128.06221	5.5
129.06993	10.0
130.07767	2.0
131.04938	7.9
131.08577	13.4
133.06476	1.9
133.10141	12.1
135.08038	5.7
141.07021	4.4
142.07777	9.4
143.08568	12.1
145.06474	11.9
145.10100	10.3
147.08058	32.0
149.02345	3.6
149.09621	5.5
155.08577	5.2
156.09348	6.8
157.06477	2.8
157.10112	25.1
159.08069	40.2
159.11644	8.0
161.09613	22.7
161.13213	2.0
163.07574	3.4
163.11200	2.3
167.08630	1.8
169.10159	7.8
170.10889	4.7
171.08124	9.7
171.11697	29.2
172.01025	1.6
172.11932	1.5
173.06006	4.2
173.09633	12.2
173.13261	3.4
175.07561	5.1
175.11188	3.0
178.07906	1.8
179.08543	1.9
179.10551	2.9
180.09323	2.3
181.10056	4.7
183.08006	3.1
183.11708	15.4
185.09683	11.3
185.13246	21.9
187.07491	2.2
187.11185	6.5
189.09038	2.9
189.12686	1.9
193.04958	4.4
193.10146	3.4
195.11682	5.4
197.09624	6.2
197.13235	4.6
198.10402	3.5
199.11240	12.4
199.33150	1.5
201.12791	2.2
203.14174	1.8
207.11760	1.9
209.09590	3.0
209.13197	2.3
211.11209	2.9
213.09123	2.3
213.12738	20.2
215.10625	3.0
217.10182	2.8
217.12178	4.0
219.11755	1.8
221.13277	2.7
223.11180	2.3
229.10123	3.2
229.12228	3.5
230.10905	3.2
231.13783	9.4
233.09808	1.6
233.13364	2.4
233.15439	3.6
234.10454	1.7
234.13890	1.9
236.15149	1.6
237.12717	2.8
239.10718	2.4
241.12311	2.4
243.11678	3.6
243.13899	3.1
244.12585	1.8
245.13408	2.1
245.15408	16.7
246.10295	1.8
247.11081	2.6
251.10655	3.5
255.11623	2.5
255.13884	2.0
256.26373	3.1
257.26743	2.6
259.10876	2.4
259.13406	4.7
261.12610	2.8
263.16565	3.1
269.13306	2.1
273.12469	1.8
273.14838	12.0
275.14346	2.9
277.15982	1.7
283.11465	2.0
283.14789	2.0
284.11792	1.7
285.12830	2.0
287.10501	1.7
287.14258	4.5
289.12204	2.6
291.16034	7.6
295.11234	2.5
297.12534	3.5
300.15106	2.7
301.15848	5.3
311.14090	2.8
312.15027	3.1
313.15741	3.0
315.17514	3.2
317.15320	3.3
317.18857	3.2
327.17456	7.8
329.15256	4.1
329.18945	4.4
341.19031	5.9
343.16919	3.5
345.14862	2.3
345.18521	5.7
359.19952	6.4
361.17877	2.3
365.21640	1.9
369.18414	4.3
385.09021	1.7
386.09659	2.1
387.19632	10.8
389.21051	4.6
391.22495	4.5
401.21265	8.4
405.20609	13.1
419.22198	20.3
437.23291	21.0
502.65045	1.7
537.28314	2.0
541.26813	1.6
608.97260	1.7
627.29144	3.8
641.30798	3.8
659.24121	3.0
659.35626	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	659.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.1
55.01877	21.1
55.05519	22.5
55.36129	1.7
67.05501	3.8
68.77850	1.8
69.03441	3.5
70.70500	3.8
76.33775	1.8
79.05481	10.7
81.03422	11.3
81.07068	3.4
83.04990	36.3
83.05463	3.7
91.04965	2.8
91.05486	32.8
93.07066	12.6
93.81390	1.6
95.04976	13.0
95.08607	5.3
97.06546	2.5
103.05466	2.9
105.03404	36.6
105.04479	2.5
105.07044	23.0
107.04945	7.7
107.08572	9.1
109.06543	6.7
110.40410	2.0
112.22459	1.8
115.03941	4.2
115.05444	10.8
116.06263	4.5
117.07012	19.2
119.05011	2.2
119.08581	35.1
120.44316	1.7
121.06493	4.4
121.10162	4.5
128.06227	10.3
129.07004	26.4
130.07788	4.6
131.04953	1.9
131.08575	21.8
132.05786	2.1
133.06494	5.9
133.10141	44.7
135.08043	6.3
141.06987	6.5
142.07813	9.9
143.08566	23.3
144.09328	1.9
145.06497	20.5
145.10120	19.5
146.07343	3.4
147.08063	100.0
149.09637	11.9
153.07016	4.0
155.08525	10.9
156.09351	20.8
157.06450	2.9
157.10150	45.7
158.07291	5.5
159.08070	35.5
159.11688	24.1
161.06055	2.7
161.09637	40.4
161.13295	2.4
163.07568	40.3
163.11176	7.4
165.07079	3.9
167.08583	3.3
168.09377	3.8
169.10118	18.8
170.10881	13.5
171.08141	11.2
171.11697	67.9
172.08890	2.8
173.06017	7.4
173.09647	31.5
173.11038	3.1
173.13246	9.4
175.07623	12.8
175.11208	6.8
179.08611	3.8
181.10156	6.5
182.10963	5.5
183.08081	5.9
183.11710	48.4
184.08887	2.6
185.09637	19.0
185.13271	55.9
186.13745	2.0
187.07573	3.8
187.11182	10.2
187.14944	2.2
189.09128	5.9
189.12793	4.4
191.10696	2.9
192.09395	2.1
193.10106	4.7
195.07993	2.1
195.11674	13.7
197.09608	12.8
197.13261	13.4
198.10388	4.1
199.11168	22.7
200.11993	2.5
201.09134	10.0
201.12704	9.2
203.10709	3.7
203.14360	1.9
205.10367	2.1
205.12236	4.9
206.10938	3.5
207.11746	6.2
207.63992	2.0
209.09674	4.0
209.13266	7.1
211.11168	10.1
213.09348	3.5
213.12767	55.4
213.14807	3.1
214.13261	1.8
215.10658	6.0
215.14186	2.4
217.12314	5.6
218.10834	3.0
219.11781	2.6
220.12425	2.7
221.09642	2.1
221.13333	4.6
223.11192	7.8
223.14890	3.3
225.09181	2.1
225.12791	5.4
227.10712	5.6
229.10178	2.2
229.12280	5.5
231.09897	2.3
231.11859	3.2
231.13762	9.0
232.12613	2.8
233.13306	3.7
233.15434	4.9
235.11241	3.3
235.14900	3.3
237.12747	6.3
239.10777	3.3
241.12225	24.5
243.11766	2.6
243.13782	9.2
244.12442	3.5
245.13135	4.1
245.15387	34.8
247.11171	3.9
247.14931	3.8
249.12749	4.0
251.10805	1.8
251.14339	2.3
255.11624	2.8
255.13904	12.9
256.12375	2.3
257.15515	4.2
259.13220	13.8
260.12036	2.1
261.12704	3.9
262.13675	2.9
263.16406	6.5
269.13187	2.1
272.11942	2.4
273.14920	34.3
275.14304	6.7
277.15964	2.7
283.11334	2.6
283.14801	3.4
284.15613	3.4
285.12866	3.7
286.13251	1.9
287.14368	6.2
289.15909	4.0
291.15936	5.8
297.12738	5.2
298.13428	2.9
299.14133	5.3
299.17761	2.5
301.15909	5.6
302.16602	2.6
303.14151	2.1
311.14337	3.5
312.15204	3.8
313.15778	6.0
313.19116	2.1
315.17413	9.2
317.19025	6.5
327.17432	17.2
328.18146	2.4
329.15341	3.4
329.18954	4.1
331.20557	4.8
333.18692	2.4
341.19080	12.2
345.18512	10.9
354.16360	2.6
357.18466	4.1
359.20084	14.3
369.18369	7.0
375.19669	3.2
377.20990	2.9
385.47360	2.0
387.19528	20.7
389.21039	6.3
391.22736	9.8
401.21127	24.2
405.20496	3.1
407.22043	5.5
409.23773	2.3
419.22238	44.8
437.23477	9.5
501.26511	3.1
519.27032	4.2
627.29285	8.4
641.30664	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	659.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80262	3.4
53.03944	11.8
55.01876	5.4
55.05515	43.8
55.88499	3.5
66.94860	3.8
67.05499	5.8
69.03435	11.1
71.55408	5.7
72.08150	3.6
77.65889	3.2
79.05495	12.5
81.03427	6.3
81.07059	13.2
82.81815	3.9
83.04984	55.4
91.05479	27.3
93.07045	19.3
95.04978	15.1
95.08625	10.5
103.05483	16.7
105.03401	100.0
105.04475	5.4
105.07040	30.0
107.04983	6.5
107.08604	12.9
109.06522	8.1
115.05458	14.7
117.07046	18.8
119.04935	4.9
119.08602	24.4
121.06524	10.9
123.08077	7.3
128.06223	7.2
129.06993	11.1
131.04947	25.3
131.08578	18.5
133.06487	13.0
133.10153	26.0
135.08055	14.1
137.05969	4.6
141.07066	7.2
142.07790	8.6
143.08549	19.2
145.06529	20.7
145.10124	22.3
147.08047	16.6
147.11732	5.1
149.05936	7.2
149.09669	9.2
151.07585	6.1
154.18594	3.9
155.08557	6.5
156.09344	15.6
157.10135	31.7
159.08052	19.3
159.11699	14.7
161.06000	12.4
161.09636	15.6
163.07565	8.9
165.09184	6.4
167.08588	4.6
168.09355	7.2
169.06575	4.5
169.10118	26.2
170.10846	8.8
171.08072	10.8
171.11697	48.6
172.08853	4.9
172.12016	5.2
173.06042	17.6
173.09659	17.7
173.13263	8.7
175.07559	4.2
177.05498	4.4
177.09186	7.1
179.07074	7.4
179.08611	4.2
179.10706	3.7
181.10136	6.8
182.10866	4.4
183.08054	6.5
183.11699	60.4
184.08792	4.1
184.29506	3.8
185.09648	14.3
185.13274	31.8
187.07584	6.4
187.11211	13.6
189.05531	6.7
189.09039	4.5
191.08629	4.3
191.10707	6.4
192.09406	5.1
193.08630	6.5
193.10109	8.7
194.10851	4.8
195.08096	4.8
195.11713	13.4
197.09647	12.9
197.13196	7.1
198.10457	5.9
199.07631	5.0
199.11226	19.8
201.09163	5.5
201.12720	9.6
203.10616	4.6
205.10201	6.5
207.11673	16.9
209.09737	6.1
209.13335	6.4
211.11163	14.7
213.09157	5.6
213.12752	29.3
215.10577	8.6
217.10170	6.4
217.12216	4.3
219.09981	7.0
219.11832	8.6
220.12471	5.9
221.09679	5.3
221.13289	6.8
223.11243	7.6
225.12791	5.7
229.10292	5.2
229.12308	10.2
231.11755	11.6
231.13852	12.9
232.12476	6.7
234.13914	5.5
235.11151	5.2
235.14839	5.7
237.12796	6.8
241.12302	7.3
242.10692	4.9
243.11691	10.3
243.13884	6.4
244.12596	5.8
245.13353	8.6
245.15448	9.1
246.14049	7.4
247.11166	8.7
247.14873	9.6
249.12650	5.5
251.10596	4.9
257.13315	12.3
258.13989	6.9
259.11108	6.2
259.15167	6.8
260.11545	4.7
260.15524	6.2
261.12759	9.2
262.13113	7.3
263.14267	8.7
267.11536	6.5
271.11050	7.3
271.14743	11.2
272.12006	4.2
273.12567	5.5
274.13495	4.8
275.14270	9.2
284.11832	4.8
285.12735	9.0
287.14264	6.2
287.17642	5.3
289.15909	7.0
291.17422	6.1
299.14316	10.0
301.12311	5.3
301.15662	8.4
303.13928	6.3
305.15369	5.0
305.18643	4.8
313.15891	6.2
315.17465	13.5
317.15201	7.0
319.16888	7.9
325.16010	4.8
327.17383	5.4
329.15344	9.7
329.18994	5.8
331.16904	6.4
333.18030	7.8
339.16852	4.7
341.15222	6.1
343.16876	20.7
345.18478	10.7
347.16376	5.3
349.17944	6.1
357.18573	6.3
359.16083	5.0
361.18042	9.8
363.19836	6.5
371.16309	7.9
373.18069	8.1
375.19589	9.2
377.17255	6.3
379.18860	7.2
385.18066	13.0
389.17490	10.7
391.19220	18.0
393.20490	8.2
399.19803	5.1
401.17557	9.5
403.18790	11.0
407.18027	5.3
409.20163	9.1
411.21555	4.3
417.20441	13.0
419.18369	17.0
421.19827	10.6
427.21188	6.0
435.21176	7.7
437.19565	37.4
455.20636	32.2
467.20544	5.7
473.21622	9.5
481.22260	8.6
541.24152	7.8
559.26190	8.5
623.28784	8.3
641.27985	22.6
643.52094	4.6
659.28528	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3067
Annotation	Meliatoxin B1
Peak:m/z	Relative Intensity
53.03930	14.1
55.01860	8.0
55.05511	66.0
58.05336	4.7
66.04694	4.5
67.05490	15.2
69.03420	12.0
69.07071	11.8
69.82711	25.7
79.05489	28.1
81.03380	6.0
81.07038	20.1
83.04992	100.0
85.02922	8.5
91.05488	49.8
93.07051	23.8
95.04960	18.1
95.08616	14.4
97.02894	5.2
97.06544	5.8
103.05473	54.9
105.03396	38.3
105.07038	70.7
107.04929	12.7
107.08586	22.7
109.06518	11.0
115.05441	15.1
117.07021	40.2
119.08601	63.2
121.06484	10.9
121.10155	13.9
123.08052	6.4
128.06252	14.7
129.07019	26.6
130.07803	4.6
131.04945	88.9
131.08551	37.4
133.06476	19.6
133.10136	47.3
135.08041	16.7
141.06995	15.9
142.07771	18.8
143.08565	40.3
144.09311	7.0
145.06483	22.4
145.10129	37.7
147.08044	51.8
147.11577	5.5
149.05908	8.8
149.09624	15.8
153.06915	7.7
155.08536	15.4
156.09317	22.5
157.10146	66.4
159.08064	21.4
159.11717	39.1
161.05977	22.0
161.09604	40.4
163.07515	19.0
163.11234	8.5
165.07034	8.5
167.08539	12.0
168.09354	5.5
169.10104	36.9
170.10890	17.1
171.08072	21.7
171.11682	78.0
173.06012	15.7
173.09682	26.1
173.13217	14.1
175.07550	21.2
175.11176	10.7
177.09113	10.1
179.07045	10.4
179.08557	15.5
180.09367	9.3
181.10112	13.9
183.08047	9.2
183.11694	57.6
184.08835	8.8
185.09691	23.6
185.13319	29.8
187.07539	9.6
187.11157	18.3
189.05446	5.7
189.09161	6.5
191.07019	6.9
192.09251	4.7
193.10168	12.6
195.08087	10.9
195.11647	20.9
197.09608	19.5
197.11464	4.8
197.13266	19.7
198.10339	6.9
199.07565	5.9
199.11156	33.5
201.09097	8.7
201.12659	19.4
203.06972	6.0
203.10641	8.7
205.10144	10.7
205.11949	5.9
206.10928	7.1
207.11786	25.7
208.14552	5.0
209.09663	15.4
209.13177	13.1
211.11154	21.0
213.09093	11.7
213.12772	34.1
215.10742	10.2
215.14355	6.4
216.09335	9.5
218.10828	5.4
219.11646	19.6
220.12518	11.1
221.13246	15.2
222.10336	7.2
223.11154	15.1
223.14705	7.3
225.09154	8.1
225.12740	14.0
227.10538	10.0
229.10187	9.1
229.12259	18.6
230.10834	9.4
231.11736	15.5
231.13809	8.5
232.08864	6.4
232.12474	13.7
233.13234	15.6
234.13911	7.8
235.11151	11.0
235.14763	13.1
237.12894	12.6
237.16386	7.3
241.09947	6.7
241.12213	9.9
242.10948	8.8
243.11688	11.1
243.13792	19.8
244.12453	14.5
245.13362	24.9
245.15439	7.4
246.13989	9.5
247.14883	12.2
248.11938	6.2
249.12811	11.4
249.16240	8.7
251.10759	5.6
251.14403	9.5
255.11787	6.1
256.12421	10.2
257.13226	18.6
258.13995	11.9
259.14883	14.7
260.15744	10.2
261.12622	8.6
261.16614	6.5
263.14407	13.1
267.11542	7.4
269.13174	14.2
270.13940	10.1
271.14755	19.2
272.15591	7.2
273.12650	13.2
273.16455	8.9
275.14407	8.5
275.17953	11.7
277.15756	7.2
279.17157	6.5
281.13077	6.8
283.14758	9.1
284.11792	6.2
285.12656	13.1
285.16330	14.8
286.13525	8.0
286.16669	6.3
287.14316	7.7
289.12268	5.8
289.15750	9.1
291.17413	7.5
296.15488	8.5
297.12985	6.0
299.14230	12.1
301.12000	6.9
301.15662	7.0
303.13992	5.4
303.17377	11.1
313.15732	12.8
315.13785	7.5
315.17349	12.1
317.15280	11.7
317.18655	6.0
319.16757	8.9
321.18555	7.0
327.13882	8.5
327.17389	11.0
328.14468	6.4
329.18930	16.8
331.16891	16.3
333.18277	9.5
337.17957	6.4
339.17590	9.8
343.16824	16.6
345.18378	14.8
347.19968	11.2
349.18066	8.5
355.16824	12.2
357.18591	34.5
359.16306	15.5
361.14160	6.7
361.18069	15.8
363.19522	11.6
365.17587	5.9
367.16937	5.4
370.15680	5.5
373.17905	21.6
375.19489	50.8
377.17230	10.3
379.19205	10.8
385.18033	46.1
391.18921	19.7
393.20517	31.4
394.12585	5.1
399.19397	6.0
403.19052	95.8
405.20688	12.0
417.20755	10.6
419.18085	5.7
421.20148	93.9
423.21866	7.5
433.19965	12.3
435.21826	6.6
439.21097	19.2
451.21298	8.0
463.21118	24.4
481.22443	23.1
493.21951	10.4
496.31702	5.9
499.16428	6.8
499.23312	51.2
516.88666	6.0
641.27094	22.2
659.28455	46.8
663.38666	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	659.306
Annotation	Meliatoxin B1
Peak:m/z	Relative Intensity
55.01857	11.2
55.04790	5.5
55.05514	62.5
57.07072	22.3
67.05491	18.0
67.67149	6.0
69.03401	15.2
69.07079	13.4
69.44981	20.2
69.45396	21.2
79.05486	28.7
81.03369	7.3
81.07047	18.5
83.04985	100.0
84.05304	9.1
86.33041	6.0
91.05482	48.7
93.07040	28.2
95.04974	17.6
95.08597	12.5
97.02833	6.1
97.06556	10.1
98.21481	12.1
103.05470	38.6
105.00324	6.2
105.03370	9.9
105.07037	67.3
107.08578	21.5
109.06538	9.7
111.04485	6.9
115.05444	18.5
115.23081	5.3
117.07030	34.7
118.07354	7.6
119.04922	13.2
119.08578	53.4
121.06477	10.8
121.10147	11.8
123.08084	6.3
125.02389	6.2
128.06248	18.1
129.07001	26.9
131.04935	58.9
131.08575	38.2
133.06503	37.0
133.10146	42.4
135.08017	20.1
141.06970	13.6
142.07780	15.8
143.08575	42.0
145.06474	29.9
145.10167	33.9
147.08051	23.7
149.05927	8.5
149.09610	14.5
155.08444	30.8
156.09329	34.9
157.10144	57.8
158.10484	7.0
159.04448	8.3
159.08078	16.9
159.11678	21.8
161.06009	44.3
161.09616	29.3
162.09956	6.2
163.07549	20.6
165.06932	10.1
167.08568	18.4
168.09383	8.3
169.10110	37.4
170.10873	24.1
171.08087	16.6
171.11717	79.5
172.12152	12.7
173.04417	6.1
173.05995	14.7
173.09644	32.0
173.13326	13.2
175.07433	13.1
177.05368	8.6
177.09105	14.9
179.08499	7.9
181.10126	12.6
183.08043	18.5
183.11713	64.7
184.08865	8.5
184.12187	10.7
185.09616	22.5
185.13268	56.6
187.11145	20.6
189.05434	10.8
189.09035	9.7
192.09503	7.4
193.10106	19.8
195.08095	8.0
195.11713	14.2
196.08618	8.0
197.09599	25.8
197.13289	17.3
198.10120	9.8
199.11189	59.2
201.12601	13.2
203.07039	7.7
203.10696	8.1
206.10837	9.6
207.08044	8.2
207.11575	15.4
209.09592	12.9
209.13277	18.4
210.10468	8.1
211.11150	25.4
213.09122	9.6
213.12752	63.2
214.09628	5.6
214.13026	9.7
215.10588	12.7
216.09393	7.8
217.08574	13.2
217.12192	6.1
218.10887	6.9
219.11772	8.8
221.13306	16.5
223.11226	11.0
225.09076	19.7
225.12643	12.5
227.10704	6.9
229.10226	11.8
229.12184	15.1
231.11780	10.8
231.13840	16.9
233.13333	11.8
237.12659	13.5
237.65683	6.8
238.13167	7.7
241.12308	12.2
243.11794	9.2
244.12439	9.0
245.09460	8.1
245.13312	12.6
245.15405	16.4
247.11247	9.2
247.14729	8.2
249.12790	10.1
257.13309	11.2
259.15027	8.8
261.12875	9.8
269.13153	11.4
270.13907	11.2
272.15567	13.1
273.14874	8.6
287.14264	13.3
287.17664	7.5
288.15253	8.8
289.15689	9.6
297.12531	9.6
299.14307	12.2
299.17807	9.3
301.15884	14.0
303.17294	10.9
313.15970	12.5
315.13818	10.5
327.13837	10.4
327.17526	10.9
329.15045	10.9
331.16959	20.1
341.15244	17.8
343.16776	11.3
345.18210	13.0
349.18002	10.1
355.16980	9.8
357.18353	7.9
359.16440	21.5
361.18115	9.6
363.19662	11.2
371.16400	12.7
373.18060	46.8
375.19489	14.5
377.17255	11.7
383.16177	15.1
389.17410	14.8
391.19058	26.6
393.20868	8.3
401.17480	52.9
403.19193	10.4
405.20511	13.7
409.19910	10.7
419.18582	64.6
421.20029	12.6
423.21326	7.4
433.20059	17.8
437.19421	27.4
439.20859	8.2
443.28006	7.6
444.28195	24.3
451.21207	12.7
461.28659	12.5
462.29312	27.4
479.20679	19.3
497.22040	9.4
539.22516	8.0
563.22485	8.9
581.23334	7.9
659.23993	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	659.3073
Annotation	Meliatoxin B1
Peak:m/z	Relative Intensity
50.80262	3.4
53.03944	11.8
55.01876	5.4
55.05515	43.8
55.88499	3.5
66.94860	3.8
67.05499	5.8
69.03435	11.1
71.55408	5.7
72.08150	3.6
77.65889	3.2
79.05495	12.5
81.03427	6.3
81.07059	13.2
82.81815	3.9
83.04984	55.4
91.05479	27.3
93.07045	19.3
95.04978	15.1
95.08625	10.5
103.05483	16.7
105.03401	100.0
105.04475	5.4
105.07040	30.0
107.04983	6.5
107.08604	12.9
109.06522	8.1
115.05458	14.7
117.07046	18.8
119.04935	4.9
119.08602	24.4
121.06524	10.9
123.08077	7.3
128.06223	7.2
129.06993	11.1
131.04947	25.3
131.08578	18.5
133.06487	13.0
133.10153	26.0
135.08055	14.1
137.05969	4.6
141.07066	7.2
142.07790	8.6
143.08549	19.2
145.06529	20.7
145.10124	22.3
147.08047	16.6
147.11732	5.1
149.05936	7.2
149.09669	9.2
151.07585	6.1
154.18594	3.9
155.08557	6.5
156.09344	15.6
157.10135	31.7
159.08052	19.3
159.11699	14.7
161.06000	12.4
161.09636	15.6
163.07565	8.9
165.09184	6.4
167.08588	4.6
168.09355	7.2
169.06575	4.5
169.10118	26.2
170.10846	8.8
171.08072	10.8
171.11697	48.6
172.08853	4.9
172.12016	5.2
173.06042	17.6
173.09659	17.7
173.13263	8.7
175.07559	4.2
177.05498	4.4
177.09186	7.1
179.07074	7.4
179.08611	4.2
179.10706	3.7
181.10136	6.8
182.10866	4.4
183.08054	6.5
183.11699	60.4
184.08792	4.1
184.29506	3.8
185.09648	14.3
185.13274	31.8
187.07584	6.4
187.11211	13.6
189.05531	6.7
189.09039	4.5
191.08629	4.3
191.10707	6.4
192.09406	5.1
193.08630	6.5
193.10109	8.7
194.10851	4.8
195.08096	4.8
195.11713	13.4
197.09647	12.9
197.13196	7.1
198.10457	5.9
199.07631	5.0
199.11226	19.8
201.09163	5.5
201.12720	9.6
203.10616	4.6
205.10201	6.5
207.11673	16.9
209.09737	6.1
209.13335	6.4
211.11163	14.7
213.09157	5.6
213.12752	29.3
215.10577	8.6
217.10170	6.4
217.12216	4.3
219.09981	7.0
219.11832	8.6
220.12471	5.9
221.09679	5.3
221.13289	6.8
223.11243	7.6
225.12791	5.7
229.10292	5.2
229.12308	10.2
231.11755	11.6
231.13852	12.9
232.12476	6.7
234.13914	5.5
235.11151	5.2
235.14839	5.7
237.12796	6.8
241.12302	7.3
242.10692	4.9
243.11691	10.3
243.13884	6.4
244.12596	5.8
245.13353	8.6
245.15448	9.1
246.14049	7.4
247.11166	8.7
247.14873	9.6
249.12650	5.5
251.10596	4.9
257.13315	12.3
258.13989	6.9
259.11108	6.2
259.15167	6.8
260.11545	4.7
260.15524	6.2
261.12759	9.2
262.13113	7.3
263.14267	8.7
267.11536	6.5
271.11050	7.3
271.14743	11.2
272.12006	4.2
273.12567	5.5
274.13495	4.8
275.14270	9.2
284.11832	4.8
285.12735	9.0
287.14264	6.2
287.17642	5.3
289.15909	7.0
291.17422	6.1
299.14316	10.0
301.12311	5.3
301.15662	8.4
303.13928	6.3
305.15369	5.0
305.18643	4.8
313.15891	6.2
315.17465	13.5
317.15201	7.0
319.16888	7.9
325.16010	4.8
327.17383	5.4
329.15344	9.7
329.18994	5.8
331.16904	6.4
333.18030	7.8
339.16852	4.7
341.15222	6.1
343.16876	20.7
345.18478	10.7
347.16376	5.3
349.17944	6.1
357.18573	6.3
359.16083	5.0
361.18042	9.8
363.19836	6.5
371.16309	7.9
373.18069	8.1
375.19589	9.2
377.17255	6.3
379.18860	7.2
385.18066	13.0
389.17490	10.7
391.19220	18.0
393.20490	8.2
399.19803	5.1
401.17557	9.5
403.18790	11.0
407.18027	5.3
409.20163	9.1
411.21555	4.3
417.20441	13.0
419.18369	17.0
421.19827	10.6
427.21188	6.0
435.21176	7.7
437.19565	37.4
455.20636	32.2
467.20544	5.7
473.21622	9.5
481.22260	8.6
541.24152	7.8
559.26190	8.5
623.28784	8.3
641.27985	22.6
643.52094	4.6
659.28528	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	11.2
55.04790	5.5
55.05514	62.5
57.07072	22.3
67.05491	18.0
67.67149	6.0
69.03401	15.2
69.07079	13.4
69.44981	20.2
69.45396	21.2
79.05486	28.7
81.03369	7.3
81.07047	18.5
83.04985	100.0
84.05304	9.1
86.33041	6.0
91.05482	48.7
93.07040	28.2
95.04974	17.6
95.08597	12.5
97.02833	6.1
97.06556	10.1
98.21481	12.1
103.05470	38.6
105.00324	6.2
105.03370	9.9
105.07037	67.3
107.08578	21.5
109.06538	9.7
111.04485	6.9
115.05444	18.5
115.23081	5.3
117.07030	34.7
118.07354	7.6
119.04922	13.2
119.08578	53.4
121.06477	10.8
121.10147	11.8
123.08084	6.3
125.02389	6.2
128.06248	18.1
129.07001	26.9
131.04935	58.9
131.08575	38.2
133.06503	37.0
133.10146	42.4
135.08017	20.1
141.06970	13.6
142.07780	15.8
143.08575	42.0
145.06474	29.9
145.10167	33.9
147.08051	23.7
149.05927	8.5
149.09610	14.5
155.08444	30.8
156.09329	34.9
157.10144	57.8
158.10484	7.0
159.04448	8.3
159.08078	16.9
159.11678	21.8
161.06009	44.3
161.09616	29.3
162.09956	6.2
163.07549	20.6
165.06932	10.1
167.08568	18.4
168.09383	8.3
169.10110	37.4
170.10873	24.1
171.08087	16.6
171.11717	79.5
172.12152	12.7
173.04417	6.1
173.05995	14.7
173.09644	32.0
173.13326	13.2
175.07433	13.1
177.05368	8.6
177.09105	14.9
179.08499	7.9
181.10126	12.6
183.08043	18.5
183.11713	64.7
184.08865	8.5
184.12187	10.7
185.09616	22.5
185.13268	56.6
187.11145	20.6
189.05434	10.8
189.09035	9.7
192.09503	7.4
193.10106	19.8
195.08095	8.0
195.11713	14.2
196.08618	8.0
197.09599	25.8
197.13289	17.3
198.10120	9.8
199.11189	59.2
201.12601	13.2
203.07039	7.7
203.10696	8.1
206.10837	9.6
207.08044	8.2
207.11575	15.4
209.09592	12.9
209.13277	18.4
210.10468	8.1
211.11150	25.4
213.09122	9.6
213.12752	63.2
214.09628	5.6
214.13026	9.7
215.10588	12.7
216.09393	7.8
217.08574	13.2
217.12192	6.1
218.10887	6.9
219.11772	8.8
221.13306	16.5
223.11226	11.0
225.09076	19.7
225.12643	12.5
227.10704	6.9
229.10226	11.8
229.12184	15.1
231.11780	10.8
231.13840	16.9
233.13333	11.8
237.12659	13.5
237.65683	6.8
238.13167	7.7
241.12308	12.2
243.11794	9.2
244.12439	9.0
245.09460	8.1
245.13312	12.6
245.15405	16.4
247.11247	9.2
247.14729	8.2
249.12790	10.1
257.13309	11.2
259.15027	8.8
261.12875	9.8
269.13153	11.4
270.13907	11.2
272.15567	13.1
273.14874	8.6
287.14264	13.3
287.17664	7.5
288.15253	8.8
289.15689	9.6
297.12531	9.6
299.14307	12.2
299.17807	9.3
301.15884	14.0
303.17294	10.9
313.15970	12.5
315.13818	10.5
327.13837	10.4
327.17526	10.9
329.15045	10.9
331.16959	20.1
341.15244	17.8
343.16776	11.3
345.18210	13.0
349.18002	10.1
355.16980	9.8
357.18353	7.9
359.16440	21.5
361.18115	9.6
363.19662	11.2
371.16400	12.7
373.18060	46.8
375.19489	14.5
377.17255	11.7
383.16177	15.1
389.17410	14.8
391.19058	26.6
393.20868	8.3
401.17480	52.9
403.19193	10.4
405.20511	13.7
409.19910	10.7
419.18582	64.6
421.20029	12.6
423.21326	7.4
433.20059	17.8
437.19421	27.4
439.20859	8.2
443.28006	7.6
444.28195	24.3
451.21207	12.7
461.28659	12.5
462.29312	27.4
479.20679	19.3
497.22040	9.4
539.22516	8.0
563.22485	8.9
581.23334	7.9
659.23993	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	659.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.8
51.02378	2.7
53.03949	8.7
55.01876	8.2
55.05513	3.7
57.03417	0.8
65.03929	1.0
67.05497	6.1
69.03437	4.3
69.07058	1.4
69.30454	6.6
77.03931	2.0
79.05488	9.1
81.03426	10.9
81.07065	6.9
83.04989	1.4
83.08623	0.8
91.04971	1.2
91.05489	16.5
93.07060	6.5
95.01337	1.2
95.04385	1.0
95.04972	13.2
95.08617	3.8
103.05476	11.0
105.03398	100.0
105.04545	5.7
105.07037	10.4
106.03719	1.1
107.04966	7.4
107.08603	4.2
108.08878	0.7
109.06528	2.7
109.10165	1.6
110.65101	0.9
113.14621	0.9
115.05467	3.5
116.06233	1.3
117.07019	8.7
117.72892	0.7
119.04964	0.7
119.08588	18.4
121.06533	2.8
121.10145	1.6
123.04493	0.8
123.08058	1.1
128.06219	3.9
129.07008	11.0
130.07785	1.0
131.04941	18.0
131.08586	9.7
132.05630	1.1
133.06528	3.5
133.10136	5.1
135.08064	2.8
141.06979	3.8
142.07764	4.7
143.08574	6.8
144.05775	1.0
145.06496	8.0
145.10136	5.4
145.42897	0.7
147.08055	55.1
147.11729	1.5
149.09639	9.1
153.07034	1.6
154.07776	1.6
155.08577	3.1
156.09387	5.4
157.06552	2.1
157.10138	31.9
158.07281	1.2
159.08066	14.4
159.11688	12.5
161.05998	1.0
161.09619	8.3
163.07550	5.6
163.11153	0.8
165.07019	1.8
165.09103	0.9
166.07799	1.7
167.08621	2.5
168.09262	0.8
169.06654	0.8
169.10144	9.2
170.10951	1.1
171.08163	3.9
171.11700	29.6
171.13153	1.5
173.06044	2.7
173.09647	7.2
173.13263	2.9
175.07573	23.1
175.11191	1.7
177.09227	0.9
179.08600	2.4
179.14345	0.8
180.09340	1.2
181.10178	2.7
183.08128	2.2
183.11702	13.4
185.09639	7.0
185.13255	1.5
187.07620	1.5
187.11212	5.2
189.09261	0.9
189.12755	1.1
191.08647	0.8
193.10219	2.3
194.10829	1.4
195.08174	1.2
195.11732	2.4
196.08772	1.2
197.09650	7.2
197.13286	2.2
198.10478	0.7
199.11189	9.9
201.09187	1.1
201.12733	1.0
202.69295	0.8
203.10693	2.0
205.10248	0.9
206.10889	1.4
207.11647	3.6
208.08923	1.0
208.12448	1.0
209.09660	2.6
209.13318	3.1
210.10408	1.0
211.11221	2.1
213.09125	2.3
213.12747	1.2
215.10732	2.6
217.10330	1.3
217.12286	4.8
219.08090	0.9
219.11757	1.3
220.12486	1.6
221.09657	1.0
221.13245	4.2
223.11290	2.6
223.14819	1.7
225.12865	1.5
227.10719	4.5
227.14305	0.8
229.12242	7.3
230.10872	1.1
231.11693	1.5
231.13797	12.3
232.12384	1.1
233.09631	1.2
233.13319	1.3
233.15421	0.9
235.11418	0.9
235.14775	1.3
237.12682	3.5
239.14343	0.8
241.12244	1.3
243.11916	1.2
243.13983	1.7
244.12453	1.7
245.09612	1.1
245.11525	1.2
245.13629	1.5
247.11240	1.4
247.14857	2.2
249.12749	1.5
251.10741	1.2
251.14325	1.4
255.11772	1.2
255.14027	0.9
256.12335	0.9
257.13388	1.7
258.14050	1.3
259.11041	1.0
259.13062	3.5
260.11984	0.7
260.15720	1.1
261.12857	2.4
261.16376	1.3
263.14377	1.6
265.16086	0.8
267.11755	1.2
269.09863	0.9
269.13263	2.3
270.14056	2.2
271.11182	1.0
271.14880	1.6
272.11844	1.2
273.13104	1.6
275.14288	1.5
275.20160	2.1
277.14438	1.6
279.13870	1.2
283.11340	1.8
284.12088	1.9
284.15302	1.1
285.12756	2.4
285.16449	1.9
286.13391	1.1
287.14166	2.3
288.15030	1.2
289.15973	1.6
297.12610	1.4
297.16190	0.8
298.13608	2.3
299.14420	2.8
300.15024	1.4
301.15833	1.2
303.14124	1.6
303.17499	7.2
312.15109	1.2
313.15869	7.0
314.16656	2.1
315.13974	1.1
315.17468	6.0
317.15509	1.2
317.19058	2.5
327.17480	4.9
329.19226	1.5
331.16913	17.5
340.14655	1.3
342.16357	1.2
345.18399	5.3
345.22165	1.0
349.24008	1.1
355.17017	3.5
355.20776	1.3
357.18799	1.2
359.16464	2.1
373.17786	10.2
373.21866	3.0
377.21246	3.0
387.19528	4.9
389.21198	2.7
391.22815	3.0
401.17462	2.7
405.20612	25.1
407.22491	1.8
415.19003	1.1
423.21832	1.5
433.20029	14.1
451.20633	1.9
519.23730	1.5
526.57452	0.8
537.24725	1.5
555.23914	2.8
561.38666	1.2
573.24768	1.3
627.26013	2.1
641.27551	21.4
659.34161	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	659.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.0
55.01865	4.4
55.05511	4.7
57.07063	1.7
58.06576	2.2
59.06118	1.8
63.78092	1.2
65.03929	1.4
67.05503	5.0
67.29274	1.2
69.03425	5.3
69.07065	3.2
69.18178	1.2
71.04971	1.1
71.55183	1.6
74.09711	4.1
77.18678	1.0
79.05489	8.6
81.03400	3.4
81.07050	4.6
83.01336	1.8
83.04980	4.5
85.02908	1.3
91.05501	10.5
93.07031	8.1
95.04994	11.8
95.08624	4.5
97.06534	2.0
103.05473	49.8
105.03379	2.9
105.04535	2.0
105.07037	14.1
107.04956	4.1
107.08579	2.5
109.06515	4.4
109.10196	2.0
111.04476	1.1
111.08081	1.9
115.05504	1.5
117.07019	5.3
119.08575	11.2
121.06517	4.7
121.10132	2.6
123.04419	2.2
123.08121	1.9
124.30859	1.2
128.06230	3.4
129.06999	4.5
131.04938	100.0
131.08572	11.8
132.05249	1.3
133.06500	7.4
133.10143	8.1
135.04498	1.7
135.08035	5.0
135.11713	1.3
136.08101	1.2
137.05992	2.0
141.06990	2.8
142.07800	4.2
143.08583	8.7
145.06538	6.6
145.10168	5.9
147.08046	6.8
147.11600	1.3
149.05986	4.1
149.09625	3.1
155.08594	4.7
156.09319	7.6
157.10115	8.9
158.07378	1.8
158.10936	1.7
159.04333	1.2
159.08070	15.5
159.11720	5.0
161.05989	10.4
161.09578	3.9
163.07581	3.4
165.07013	2.3
167.08589	2.5
168.09370	2.3
169.06458	1.5
169.10132	4.7
170.10939	2.6
171.08078	3.4
171.11684	12.7
172.08791	2.5
172.12169	1.2
173.05966	1.4
173.09644	9.2
173.13345	6.5
175.07637	2.1
175.11220	1.4
177.09181	1.9
179.07077	2.5
179.08554	3.5
180.09282	1.4
181.10129	3.4
183.08116	2.1
183.11707	11.6
184.08797	1.5
185.09630	6.3
185.13289	5.6
186.10368	2.9
187.07579	5.0
187.11163	3.9
189.09161	2.9
191.10706	1.8
193.10109	5.0
195.11725	5.7
196.08734	2.0
197.09605	4.1
197.13307	2.2
198.10269	1.7
199.07567	1.8
199.11259	6.5
200.11879	1.2
201.09175	2.0
201.12790	15.6
205.08322	1.5
205.10149	1.8
206.10869	3.0
207.11697	4.1
208.12457	1.3
209.09616	2.3
209.13258	3.6
211.11180	8.4
213.09055	2.3
213.12827	6.1
215.10648	3.5
219.11732	2.3
220.12437	2.4
221.13248	4.2
223.11252	1.9
223.14749	2.6
225.12747	2.6
227.10718	2.0
229.12245	22.6
230.11050	1.4
231.11697	3.5
231.13843	2.5
232.12419	2.9
233.13374	1.7
234.14146	1.4
235.11261	2.6
235.14722	2.7
237.09004	1.4
237.12788	2.1
239.10652	1.4
241.12273	2.1
244.12433	2.4
246.13956	2.0
247.11159	1.8
247.13237	3.5
248.15680	1.2
249.12744	3.0
249.16589	1.4
251.14278	4.1
259.14941	2.0
260.12662	1.3
261.16367	4.7
263.14322	1.5
265.12152	1.5
265.15833	1.6
267.13870	3.4
272.12015	1.2
273.12631	1.4
274.13495	1.9
275.14331	1.8
277.15845	4.7
279.14035	1.6
279.17459	4.3
285.14954	5.5
289.15891	2.6
307.16891	6.7
315.16125	2.6
325.18051	4.1
329.15335	1.7
331.16809	2.7
345.18253	2.4
347.16489	2.0
349.17938	1.4
355.17007	1.4
359.16452	1.8
361.17981	2.6
371.16397	1.4
373.18018	4.3
379.19150	2.4
389.17487	7.4
391.19119	1.3
399.17892	1.4
407.18527	10.9
411.21817	1.7
425.19522	1.7
426.96246	1.6
481.18195	1.5
489.67853	1.4
493.22110	6.4
511.23383	1.7
641.26819	3.6
652.18347	1.4
659.27924	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	659.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50359	2.2
53.03933	6.1
55.01875	15.6
55.05275	3.4
55.05516	53.1
55.56432	1.7
57.03436	2.3
65.03922	3.1
67.05507	13.5
69.03416	7.4
69.07066	3.0
71.55325	3.5
79.05492	16.8
81.03428	12.7
81.07061	10.1
83.04989	100.0
83.08597	2.6
86.98402	2.2
87.08073	1.8
88.07600	2.0
91.05487	35.0
93.07047	19.2
95.04974	27.3
95.08617	8.0
97.02889	2.6
97.06532	3.1
99.04480	2.5
101.06027	4.6
103.05489	11.5
103.06036	2.2
104.40208	1.8
105.03407	22.5
105.04527	2.5
105.06387	3.2
105.07036	35.9
107.04974	11.9
107.08607	10.4
109.06500	6.7
109.10154	2.9
111.04429	2.1
113.06034	3.4
115.03954	2.1
115.05473	13.4
117.07012	20.3
118.67611	1.9
119.04967	3.8
119.08591	25.4
121.02806	2.1
121.06538	10.4
123.04371	2.5
123.08118	3.3
125.06006	5.8
126.13184	2.0
128.06216	14.9
129.06996	17.8
130.07788	5.5
130.39105	1.8
131.04935	16.2
131.08566	21.5
133.06491	23.6
133.10135	24.3
135.04437	2.0
135.08026	9.0
137.06026	2.3
139.03938	2.5
141.07004	9.9
142.07803	12.0
143.08577	27.3
144.09370	2.1
145.06500	22.2
145.10153	14.6
147.06929	4.1
147.08055	58.8
147.11719	2.8
149.02383	3.9
149.05975	7.6
149.09610	8.7
153.06981	5.7
154.07759	3.4
155.08539	13.1
156.09375	12.3
157.06497	5.2
157.10155	27.8
158.07324	4.0
159.08054	26.9
159.11710	19.5
161.05988	38.1
161.09627	26.2
162.68971	2.2
163.07550	31.3
163.11171	4.3
165.06964	8.5
166.07773	4.0
167.08551	5.6
168.09311	2.7
169.06493	6.7
169.10117	19.7
170.10904	9.4
171.08063	13.5
171.11711	40.1
172.08835	3.4
173.05975	9.5
173.09644	21.5
173.13254	7.4
175.07562	8.1
175.11182	5.4
177.05569	2.8
178.07773	4.1
179.07094	4.3
179.08580	7.5
180.09346	3.7
181.06432	2.2
181.10152	6.5
182.10889	3.5
183.08047	6.4
183.11707	32.9
184.08821	4.5
185.06030	3.6
185.09618	21.8
185.13266	28.5
187.07584	10.7
187.11151	10.1
189.05495	2.5
189.09074	7.7
189.12714	2.4
191.10771	2.3
192.09279	2.9
193.04909	2.5
193.10115	4.4
195.08093	4.9
195.11710	10.4
196.08838	3.0
197.05991	4.7
197.09576	19.7
197.13272	9.8
198.10379	6.2
199.07518	8.2
199.11224	16.9
201.09109	9.7
201.12822	5.6
203.06958	3.7
203.08736	2.3
203.10655	4.5
205.08578	4.4
207.08116	4.6
207.11664	6.4
208.08778	3.2
209.09612	8.4
209.13234	3.6
211.07620	4.1
211.11162	8.2
213.05513	2.7
213.09152	14.4
213.12718	26.9
215.07018	3.5
215.10643	6.3
217.08588	8.0
217.12148	3.5
219.11848	3.7
221.09639	3.8
222.10318	2.5
223.07626	4.7
223.11200	6.9
225.05513	4.3
225.09106	33.3
225.12663	3.6
227.07137	3.2
227.10681	8.5
229.08470	4.7
229.12238	4.3
231.13823	4.0
233.09871	2.6
233.13268	3.5
235.07515	3.0
235.11346	3.9
237.09152	3.0
237.12743	3.3
237.16261	2.3
239.10739	5.5
241.08424	12.6
241.12219	7.2
243.13849	4.2
245.08142	7.5
245.15350	20.9
247.09508	3.0
247.14922	2.8
249.09059	2.3
249.12781	4.9
253.08540	4.4
255.10248	5.8
255.13861	8.5
257.08084	27.6
257.11484	4.5
259.09622	8.6
259.13364	8.3
265.12311	2.8
267.10016	4.8
269.08008	4.3
273.12396	3.4
273.14981	18.7
275.14270	2.2
283.09521	10.3
285.11194	14.6
286.13293	2.7
287.14304	4.1
287.17358	2.2
291.16437	2.3
297.12823	4.2
301.10611	9.5
301.15826	3.6
303.12289	2.6
303.17398	3.1
311.14288	2.7
312.15182	3.6
313.15775	4.1
315.13739	2.7
315.17303	4.7
317.15442	2.4
317.18954	4.1
327.13773	2.5
327.17429	6.9
329.15323	4.2
331.20361	2.9
341.15204	2.5
341.19077	6.2
345.18478	6.1
357.14673	2.9
359.15518	3.6
359.20059	7.4
369.18576	5.4
377.21213	4.5
385.16214	7.6
387.19733	11.7
391.22482	6.4
401.15991	8.1
401.21149	12.1
403.15298	5.4
404.16348	2.5
405.20526	5.3
407.22546	2.8
413.13904	3.4
419.16351	2.7
419.22165	21.6
421.16638	2.9
431.15082	2.4
433.16309	3.2
437.23157	5.2
443.16904	5.0
445.18338	10.4
449.15744	5.8
451.17502	7.6
463.17487	15.5
481.18631	11.0
499.19370	2.9
505.24872	2.2
551.23077	9.8
551.30487	2.0
561.37354	2.5
563.22717	13.0
581.23718	10.8
623.25140	4.0
627.28638	4.0
641.25964	5.3
659.36078	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	659.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	5.7
55.01672	2.3
55.01882	21.1
55.05519	15.9
57.03437	8.4
61.02412	2.6
61.02931	26.7
61.75066	2.6
63.78122	2.6
65.03951	4.0
67.05513	29.6
69.03437	64.8
69.07067	5.7
71.04986	3.3
73.02913	9.0
77.03908	3.8
79.05518	21.1
81.03426	21.6
81.07073	20.6
83.04988	25.2
85.02914	36.8
91.03975	20.7
91.05493	37.6
93.03430	5.6
93.07052	21.7
95.01319	5.6
95.04980	48.7
95.08604	18.9
97.02910	32.6
97.06556	5.1
99.04416	5.5
103.05470	18.5
105.03406	16.6
105.07040	65.3
107.04966	19.4
107.08607	13.1
109.02902	7.3
109.06527	11.6
109.10173	6.0
111.04436	6.8
115.05471	21.0
116.06270	3.2
117.07047	25.2
119.04947	5.2
119.08570	18.6
121.02844	6.2
121.06516	10.3
121.10132	7.4
123.04412	7.3
123.08061	6.0
125.06035	8.6
127.03942	12.9
128.06238	17.7
129.05478	4.0
129.06990	23.1
130.07693	3.5
131.04961	14.2
131.08589	25.8
133.06517	50.6
133.10123	8.7
135.04411	7.5
135.08084	13.3
137.05963	9.4
139.03889	6.1
141.07040	15.6
142.07750	15.9
143.08585	27.8
144.05692	3.4
145.04979	7.0
145.06502	25.9
145.10117	16.3
147.04436	6.0
147.08069	18.6
149.05998	8.4
149.09622	6.1
151.03856	5.0
151.07576	7.4
152.06302	3.2
153.05606	3.1
153.07005	5.8
154.07793	9.2
155.08585	19.5
156.09323	13.5
157.06485	15.1
157.10159	24.3
159.04478	3.7
159.08087	33.6
159.11685	9.9
161.06000	100.0
161.09630	12.1
162.06680	3.3
163.07542	34.3
165.07016	8.6
166.07822	3.8
167.08546	12.3
168.09305	3.6
169.06506	10.9
169.10146	27.8
170.10860	5.6
171.08057	18.6
171.11731	22.0
172.08836	8.2
173.05968	12.2
173.09660	18.3
173.13260	5.2
175.07571	10.9
177.09090	7.1
179.07066	7.5
179.08577	15.7
180.09320	4.3
181.06529	4.9
181.10129	10.5
182.07321	7.4
183.06500	6.8
183.08069	20.9
183.11688	9.7
184.08846	7.7
185.06007	8.8
185.09624	33.6
185.13271	6.2
186.10443	4.5
187.07645	15.5
187.11191	14.2
189.05441	3.5
189.09091	11.2
191.06909	5.0
191.08600	3.2
193.10161	7.0
195.08086	12.8
195.11642	6.4
196.08810	7.4
197.05997	8.6
197.09639	46.9
198.10393	9.6
199.07562	12.1
199.11212	29.9
201.05516	4.1
201.07437	4.9
201.09180	9.1
203.07051	4.6
203.08714	3.8
203.10672	4.2
205.08521	6.6
207.08026	9.7
207.11755	6.1
208.08763	3.8
209.09625	10.5
211.07561	12.6
211.11169	7.8
213.09122	29.2
213.12764	8.7
214.17676	3.1
215.06966	6.9
215.08850	4.2
215.10713	10.2
216.09424	3.2
217.08606	10.3
217.10420	4.5
217.12210	3.4
219.10011	4.4
221.09618	6.9
223.07559	9.3
223.11217	8.9
224.08418	3.0
225.09122	79.1
225.12607	4.8
227.07080	4.8
227.10696	11.8
229.08624	9.2
229.12280	6.2
230.10933	3.4
231.10114	7.1
233.09912	4.2
233.13391	4.5
235.07520	7.7
235.11404	5.9
237.09096	10.5
237.12837	4.4
238.09883	3.8
239.06931	3.8
239.10699	9.0
241.08560	32.2
241.12350	4.2
243.10184	13.2
245.08095	13.4
246.10512	3.3
247.09506	15.8
249.09013	5.2
249.12927	4.0
251.07086	7.3
251.10698	7.3
253.08644	8.6
253.12361	6.4
255.10217	13.3
257.07938	25.4
257.11813	13.4
259.09485	14.4
261.09125	4.2
261.22189	6.9
263.10684	8.2
265.08945	3.7
267.10272	12.6
271.11353	4.3
272.11877	5.4
273.11227	6.0
273.15082	4.0
279.10141	4.4
281.09506	4.5
283.09433	15.6
285.11176	27.2
286.13651	4.5
287.14227	8.3
297.12506	6.7
298.13568	5.6
299.10602	5.2
301.10822	9.9
301.15820	3.6
303.12531	9.8
305.11557	4.1
309.11276	6.3
312.11658	3.6
313.12299	4.3
315.13693	5.4
317.15302	4.8
325.12183	4.9
327.13846	7.0
329.15237	11.3
331.16864	6.7
333.14877	3.9
335.25903	32.6
339.13602	5.8
345.14771	4.6
347.16220	4.1
355.13232	4.4
357.14828	11.9
359.16211	4.4
367.13306	10.4
371.14844	12.8
373.14227	5.9
375.15762	8.7
377.17377	5.2
385.14456	19.9
387.14481	11.7
391.15417	4.5
395.18384	4.1
403.15427	20.8
405.20813	4.1
413.13739	7.6
417.16458	7.4
419.14816	4.0
421.16434	6.5
427.15323	4.9
429.15955	5.1
431.16223	13.4
433.16391	7.1
435.18073	9.5
437.23022	5.4
437.67657	3.2
445.16309	18.5
449.15878	10.7
451.17651	23.1
463.17627	56.1
471.18085	7.7
481.18445	33.4
489.18668	3.8
503.19089	4.5
521.21429	11.6
523.19489	4.0
531.20190	10.4
535.18951	4.2
537.21216	27.0
549.21204	44.7
567.22253	35.4
591.21936	4.7
609.23175	13.8
627.24030	4.9
641.26013	4.3
659.25720	5.6
659.36237	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	659.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
55.01876	5.5
55.05265	4.7
55.05517	66.7
56.05855	3.1
67.05498	9.8
69.03425	11.0
71.55830	5.4
79.05479	14.1
81.03438	5.2
81.07066	5.6
83.04983	100.0
85.02905	5.0
90.62106	2.5
91.05491	22.3
93.07039	10.9
95.04992	16.1
95.08604	8.5
101.68589	3.6
103.05461	11.1
105.03413	5.7
105.07032	44.3
106.07347	3.9
107.05002	6.6
107.08600	9.3
108.08195	3.2
109.06526	7.9
110.46759	2.5
115.05468	10.0
117.07025	11.6
119.04959	4.4
119.08564	17.8
121.06520	7.6
121.41008	2.9
123.04469	6.0
125.06005	4.3
128.06229	8.2
129.07011	9.5
131.04933	6.4
131.08644	14.6
133.06494	27.1
133.10146	9.1
135.08075	7.9
137.05992	4.9
141.06985	6.5
142.07736	9.1
143.08582	22.7
145.06502	10.6
145.10129	9.8
147.08063	13.1
149.06001	6.8
149.09662	5.8
151.07494	4.4
153.06944	5.6
155.08537	9.6
156.09366	10.8
157.06523	5.0
157.10176	18.9
158.07378	5.1
158.10583	3.3
159.08118	14.4
159.11678	8.4
161.05988	43.0
161.09637	6.0
163.07544	12.6
165.05473	5.5
165.06961	4.8
166.07809	6.3
167.08577	7.0
168.09375	4.6
169.06520	5.8
169.10144	16.4
170.10956	5.4
171.08067	12.7
171.11710	33.5
172.12099	4.3
173.06004	7.3
173.09639	9.2
173.13269	4.2
175.07561	5.6
175.11211	3.3
177.05569	4.4
179.07100	6.5
179.08600	8.0
180.09303	4.6
181.10143	9.2
183.08049	9.4
183.11726	18.5
184.08788	4.4
185.06219	3.7
185.09583	15.3
185.13318	10.2
187.07556	7.8
187.11194	8.3
189.09215	4.4
189.12537	3.5
191.08591	4.1
192.09409	4.9
193.10118	7.2
195.08092	4.9
195.11638	7.1
196.09055	3.9
197.09604	25.3
197.13309	7.9
199.07513	3.5
199.11200	40.0
201.09113	6.2
205.08449	3.9
207.08000	4.3
207.11687	7.0
209.09573	8.3
209.13309	4.9
210.10510	3.2
211.07463	6.8
211.11223	3.7
213.09102	11.1
213.12744	14.6
215.10646	7.1
216.09323	4.2
217.08464	6.3
217.10323	4.6
217.12175	4.1
219.11777	4.9
220.12363	3.7
221.09619	3.5
221.13255	7.2
222.13826	3.5
223.07729	3.7
223.11221	5.5
223.14868	3.0
225.09160	21.3
225.12727	6.3
227.10678	8.2
229.10236	5.0
229.12268	5.9
231.11691	7.8
232.12456	7.5
233.13370	6.2
235.07619	4.1
237.12808	3.2
239.10634	4.3
241.08379	6.0
243.11678	6.4
244.12358	4.6
245.08115	6.9
245.13300	8.1
246.13994	4.6
247.09593	3.3
247.14836	5.0
249.12663	3.7
249.16476	3.5
253.12366	3.2
255.10088	3.2
257.08121	4.0
257.11542	3.9
259.14999	4.5
261.12659	3.7
261.16434	7.0
262.13354	3.0
263.10645	4.8
263.14398	3.7
267.10132	4.1
271.09705	4.1
271.14780	4.0
272.11926	4.3
273.12619	5.8
273.16644	3.9
274.13318	3.4
285.11511	10.5
285.16055	4.8
287.14450	6.4
287.17838	5.7
288.11273	3.0
288.14944	3.1
289.15866	5.5
294.23297	3.5
300.14969	4.0
301.11893	3.4
303.13361	5.2
303.17410	7.2
305.15097	3.4
305.18732	5.4
307.16742	3.5
315.13690	3.5
315.17560	5.1
319.16794	5.3
329.11731	3.2
329.15167	6.6
331.16925	5.9
333.18439	3.4
341.15274	3.2
343.13232	3.8
345.14780	3.7
345.18588	3.8
349.17902	4.5
361.17944	8.6
375.15497	4.8
375.19827	5.2
377.17548	6.9
379.18991	3.6
385.17532	5.3
395.18811	4.2
403.18936	9.0
407.18353	3.4
413.13690	4.1
420.18701	6.4
421.20105	12.8
431.14578	4.8
433.16101	5.5
438.20071	7.5
439.20953	10.3
449.16138	3.5
451.17117	5.1
463.17267	20.7
481.18558	6.5
499.23099	5.6
551.22711	6.6
563.22662	13.9
581.23474	13.1
599.24255	4.5
623.24225	3.4
641.25665	4.0
659.23865	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	659.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43049	4.2
53.03949	5.5
55.01864	15.8
55.05510	9.7
57.74666	4.2
65.03920	7.6
67.05499	18.3
69.03439	59.7
70.06589	4.7
79.05505	27.6
80.44556	4.1
81.03425	20.1
81.07061	15.9
83.04974	14.1
91.05488	31.4
93.07056	23.9
95.01364	4.4
95.04980	43.1
95.08620	16.2
97.02834	7.4
102.84473	3.7
103.05486	28.9
105.03403	22.7
105.07041	72.8
105.98708	4.6
107.04988	9.4
107.08622	10.6
107.51785	4.0
109.06527	10.9
109.10157	5.5
111.04455	5.4
112.35576	4.3
115.05476	22.3
117.07014	24.5
119.04935	7.7
119.08591	22.3
121.02863	8.3
121.06521	14.1
121.10204	6.7
123.04459	10.1
123.08117	6.5
125.05986	12.3
128.06241	14.1
129.05507	5.7
129.07059	23.0
131.04919	38.8
131.08574	26.6
133.06509	45.3
133.10156	13.5
135.04431	4.7
135.08090	12.1
137.06020	10.0
141.07010	14.4
142.07768	9.0
143.08560	17.8
145.06500	30.6
145.10115	12.5
147.08072	13.2
149.05989	13.9
149.09660	5.7
151.07591	9.8
152.06232	7.1
153.06943	7.1
154.07785	9.3
155.08569	16.2
156.09361	14.1
157.06490	10.7
157.10138	26.3
158.07262	5.3
159.08061	22.4
159.11697	12.4
161.06000	100.0
161.09634	9.7
163.07509	24.6
165.05737	4.7
165.07071	12.5
167.08609	11.6
169.06465	10.6
169.10136	34.0
170.10898	8.2
171.08040	12.5
171.11697	25.3
173.05988	12.6
173.09671	15.1
175.07559	11.3
177.09219	5.4
178.07941	7.7
179.07034	16.1
179.08607	11.4
180.09317	8.1
181.06496	10.0
181.10185	12.2
182.07283	9.0
183.08032	29.2
183.11713	18.1
185.05983	9.4
185.09662	22.8
185.13336	11.0
187.07507	15.9
187.11171	15.4
189.09145	7.3
195.08086	12.9
195.11682	14.1
196.08833	7.0
197.09650	46.2
197.13277	9.5
198.10393	8.2
199.07602	13.0
199.11246	26.5
201.09113	11.5
205.08481	5.7
207.08113	14.6
207.11705	8.5
209.09612	14.4
210.10394	5.0
211.07567	14.3
211.11092	10.7
213.09109	37.0
213.12729	8.7
215.06979	5.9
215.10741	15.5
217.08574	8.2
219.08035	5.8
223.07544	9.9
223.11143	9.6
225.09125	75.3
225.12733	19.0
227.07030	6.4
227.10658	11.9
229.08473	8.6
229.12282	6.3
231.11850	6.4
231.13873	13.0
235.07686	8.0
235.11244	8.4
237.09103	5.4
239.10629	9.7
241.08397	23.2
243.10182	14.1
245.08096	12.1
245.15535	4.9
247.09526	8.6
249.08998	5.0
251.10591	6.9
253.08704	6.8
253.12212	8.7
255.09984	8.2
257.07953	24.3
257.11746	16.7
259.09555	10.3
267.10056	6.4
269.08112	6.9
279.10187	7.7
284.12024	5.0
285.11264	25.1
299.10526	6.4
299.14105	5.2
301.10657	12.5
301.15823	6.6
303.12515	6.3
313.12323	5.5
314.12668	5.7
315.13766	6.7
324.11578	6.0
326.62570	5.7
327.13937	5.0
329.15268	6.6
331.13132	7.1
331.16678	8.4
355.13464	5.7
357.14706	8.2
367.13071	6.1
371.15213	6.4
375.16077	6.8
377.17636	8.9
385.14276	12.1
387.14603	13.2
391.15128	6.3
395.13080	6.5
395.18539	7.2
403.15179	12.4
404.32144	4.7
417.16669	9.9
419.14801	6.5
421.16052	7.9
431.16266	16.3
433.15979	6.5
443.40948	5.1
445.16412	19.9
449.15955	15.0
451.17548	19.9
463.17441	52.8
463.30432	9.1
471.18396	8.5
481.18433	36.3
531.19989	8.4
537.21399	23.4
541.24121	7.0
549.21124	52.2
567.22253	42.4
609.23077	9.9
627.24347	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	658.526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	20.4
57.03445	12.7
57.07080	34.6
66.92126	8.8
67.05516	64.6
69.07047	16.3
71.08625	27.1
79.05499	28.5
81.07054	37.7
83.08605	20.4
85.10183	18.7
89.06047	34.4
89.06533	6.8
91.05476	26.2
93.07028	27.5
93.92113	6.7
95.08611	50.4
97.06548	6.6
97.10187	10.1
105.07035	19.4
107.08599	21.1
109.10172	39.9
114.25957	7.5
117.07023	13.1
119.08578	20.9
121.10118	17.0
131.08582	10.0
133.08588	13.8
133.10117	10.6
135.11691	9.5
145.10104	12.7
147.08025	19.2
147.11598	7.0
150.36333	7.2
154.81566	6.5
159.56221	6.9
161.13321	8.0
173.11748	8.4
177.11259	9.0
179.12669	6.9
227.12766	20.2
229.14328	49.6
269.17505	19.6
275.20078	30.8
289.17972	25.3
302.77954	7.0
313.27414	100.0
349.23727	16.3
367.24719	15.7
467.37338	40.0
507.40558	53.7
587.46173	30.0
605.47150	9.5
623.42914	17.3
659.24164	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	658.468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.7
51.62181	1.0
53.03948	2.0
54.48487	1.0
55.01877	2.1
55.05300	1.4
55.05519	16.2
57.03435	5.6
57.07072	2.9
65.03936	3.7
67.05512	52.0
69.07072	14.5
71.04971	1.5
71.55723	2.0
71.68879	1.2
75.92311	1.2
77.03893	1.2
79.05502	50.3
81.03455	1.8
81.07069	51.2
83.04989	7.1
83.08194	1.2
83.08624	8.2
85.06555	2.5
89.06052	8.2
91.05489	85.6
93.07055	42.2
95.04975	4.5
95.08615	32.2
97.06549	4.9
97.10181	3.6
101.51157	1.4
103.05506	1.7
105.07041	41.1
107.04889	2.2
107.08606	22.7
109.06522	5.4
109.10172	11.7
117.07037	21.4
119.08590	37.2
121.10154	22.6
123.11708	1.7
124.79861	1.3
128.06245	2.3
129.06984	7.0
130.07805	2.1
131.08585	39.5
131.09531	2.8
132.08922	1.8
133.08615	3.5
133.10135	31.3
134.10400	1.2
135.08066	3.8
135.11716	9.2
137.09590	2.5
141.07010	2.7
142.07826	1.5
143.08542	6.5
145.10139	19.3
147.08040	2.8
147.11711	9.5
149.09605	3.9
149.13266	3.8
155.08580	3.4
157.10136	9.0
159.11716	8.0
161.13266	4.0
163.11270	2.4
169.10152	2.7
171.11650	9.1
173.13287	4.5
175.11134	2.1
175.14859	2.1
177.11223	2.7
177.12691	2.5
182.13365	1.3
183.11668	4.9
185.13277	2.5
187.14870	1.7
197.13237	2.8
197.18990	1.3
200.03262	1.3
239.17943	2.8
247.20911	1.6
257.19012	7.9
275.20087	19.4
331.22595	3.8
349.23761	91.6
381.27740	1.9
392.57452	1.5
463.31662	1.6
481.33212	8.7
543.36517	1.5
605.42188	2.9
612.62421	1.4
623.43097	100.0
624.43085	3.8
634.05109	1.4
659.44666	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	658.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.1
57.07076	6.0
58.06590	1.6
65.03622	0.5
65.03950	0.8
70.06595	15.9
71.08624	2.4
72.08141	0.5
72.29536	0.4
81.03415	0.9
81.07081	0.4
83.08618	0.4
85.10204	0.7
88.07632	19.5
91.05485	0.6
95.75108	0.4
102.09182	14.2
102.35991	0.4
105.07013	0.7
107.05007	0.5
109.06499	0.5
121.02822	0.4
131.04944	1.3
131.08536	0.6
134.67444	0.3
138.27138	0.4
147.08055	0.5
149.02345	28.4
149.03314	1.2
152.58481	0.4
159.08084	0.4
161.09669	0.4
175.03946	1.2
177.05504	0.8
191.44380	0.5
193.04970	37.8
212.23758	0.9
219.06537	0.8
225.05467	1.0
237.07564	10.7
256.26355	40.5
269.04456	1.3
297.03915	1.9
300.29013	0.7
313.07016	2.1
321.73709	0.4
339.10605	0.5
341.06525	10.7
359.07626	5.9
385.09158	18.1
429.11829	25.1
473.14700	0.5
555.32648	0.6
640.34680	1.0
658.35864	100.0
659.36658	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	658.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.5
55.01858	19.9
55.05513	29.3
57.07088	5.9
64.47079	4.8
67.05497	11.4
69.07021	4.8
70.06584	12.1
74.09723	66.0
79.05488	21.5
81.03409	13.9
81.07043	20.2
83.04978	33.2
88.07635	15.0
91.05480	37.8
93.07055	12.8
95.04950	19.3
95.08610	11.5
98.89076	5.3
102.09172	10.0
103.05450	14.6
105.03410	100.0
105.07042	28.5
107.04962	11.3
107.08594	10.2
109.06544	13.0
109.10100	5.3
115.05479	12.1
117.07032	24.0
119.08586	37.4
121.06544	8.8
121.10162	5.9
128.06259	6.0
129.07018	28.8
130.87442	5.0
131.04916	23.3
131.08591	31.7
133.06470	8.1
133.10164	28.4
135.08054	9.3
141.06947	8.7
142.07779	10.5
143.08559	17.3
145.06483	23.4
145.10091	17.0
147.08064	76.3
147.11667	7.5
149.02335	32.6
149.09557	11.0
153.07002	8.2
155.08624	12.2
156.09346	10.0
157.10178	33.2
159.08054	60.2
159.11682	14.7
160.08476	4.5
161.09650	36.0
163.07544	19.7
163.11153	4.7
169.10118	19.7
170.10866	6.8
171.08076	17.0
171.11708	39.7
173.09625	24.1
173.13237	9.5
175.07567	7.9
183.08076	5.7
183.11772	34.9
185.09563	13.8
185.13249	30.5
193.05019	28.8
193.10187	8.5
195.08049	5.1
195.11591	8.7
197.09610	12.1
197.13367	8.2
198.10439	4.9
199.11148	19.5
201.12746	11.5
207.11720	8.8
209.09630	8.0
211.11185	9.0
213.09238	5.3
213.12762	31.5
217.12366	6.8
223.11057	6.5
223.14474	5.7
227.10638	7.0
229.12366	12.5
231.13795	11.0
233.15393	8.6
239.10806	6.2
243.13843	10.5
245.15440	13.1
256.26352	29.2
259.13260	5.8
261.12582	7.3
273.14905	10.3
275.14450	7.4
280.12338	5.7
286.13525	6.5
287.14426	10.3
299.14392	9.3
310.40927	5.6
312.15036	6.5
315.17410	13.7
317.19080	10.2
327.17438	12.3
329.19034	11.2
331.17010	6.0
333.18723	7.0
341.19009	6.2
345.18658	8.6
357.18271	9.9
359.07361	5.2
359.19910	8.3
369.18457	5.6
375.19681	7.3
385.09100	14.2
387.19559	10.4
389.21133	12.1
405.20523	12.5
407.22366	14.8
419.22101	19.4
425.23425	7.0
429.11517	15.6
435.21634	10.7
437.23257	29.6
453.22635	8.9
471.55768	5.5
641.30920	6.3
658.25305	6.3
658.35876	73.3
659.22650	18.9
659.31653	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.1
57.07076	6.0
58.06590	1.6
65.03622	0.5
65.03950	0.8
70.06595	15.9
71.08624	2.4
72.08141	0.5
72.29536	0.4
81.03415	0.9
81.07081	0.4
83.08618	0.4
85.10204	0.7
88.07632	19.5
91.05485	0.6
95.75108	0.4
102.09182	14.2
102.35991	0.4
105.07013	0.7
107.05007	0.5
109.06499	0.5
121.02822	0.4
131.04944	1.3
131.08536	0.6
134.67444	0.3
138.27138	0.4
147.08055	0.5
149.02345	28.4
149.03314	1.2
152.58481	0.4
159.08084	0.4
161.09669	0.4
175.03946	1.2
177.05504	0.8
191.44380	0.5
193.04970	37.8
212.23758	0.9
219.06537	0.8
225.05467	1.0
237.07564	10.7
256.26355	40.5
269.04456	1.3
297.03915	1.9
300.29013	0.7
313.07016	2.1
321.73709	0.4
339.10605	0.5
341.06525	10.7
359.07626	5.9
385.09158	18.1
429.11829	25.1
473.14700	0.5
555.32648	0.6
640.34680	1.0
658.35864	100.0
659.36658	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	658.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
55.05508	7.3
55.86674	1.5
56.05023	2.3
67.05507	2.1
69.03429	4.8
70.06588	4.1
72.04516	2.9
74.06087	4.8
79.05503	6.2
81.07072	4.5
82.02946	11.0
83.04999	10.1
87.04528	2.1
91.05476	10.4
93.07034	4.5
95.04966	5.3
95.08620	2.5
98.06040	13.6
99.00420	1.8
103.05447	1.7
105.07040	13.0
107.08607	5.6
108.04521	2.1
109.06556	2.6
110.06024	3.2
113.06018	3.1
115.05466	5.3
117.07034	6.9
118.93642	1.7
119.08576	15.3
121.06504	1.8
121.10189	2.1
122.09644	1.9
126.05524	100.0
128.06232	3.1
129.07022	8.8
131.04953	2.2
131.08604	11.8
133.06503	3.1
133.10172	6.4
135.08098	3.7
136.07581	2.0
139.59674	1.4
141.07014	5.2
142.07765	3.5
143.08525	9.0
144.09395	2.1
145.06491	4.8
145.10147	6.6
145.57907	1.8
147.08040	4.5
147.11710	1.9
149.09610	4.6
154.07750	2.0
155.08589	3.9
156.09349	4.7
157.06442	2.1
157.10147	15.1
159.08078	4.8
159.11690	14.1
161.05974	1.8
161.09647	4.9
165.06960	1.6
167.08592	3.0
168.09337	2.2
169.10170	9.6
169.65524	1.8
170.10936	3.1
171.08086	5.0
171.11740	14.5
172.08830	1.7
173.09647	8.6
173.13329	5.9
176.10701	2.5
177.69495	1.8
178.12277	5.0
179.08571	1.8
180.09364	2.0
181.10107	4.1
183.08189	2.3
183.11729	29.4
185.09665	3.8
185.13272	8.4
186.09071	3.8
187.11163	9.0
188.10674	9.7
190.12354	2.1
192.09238	1.9
193.10121	5.5
195.08128	2.1
195.11714	5.5
197.09703	8.7
197.13297	2.8
199.11209	4.7
200.10553	4.1
201.12778	8.7
202.12238	2.1
204.10205	7.7
205.10245	2.4
206.11797	46.1
207.11699	7.2
209.09714	2.8
209.13286	2.2
211.11203	8.9
213.12729	3.1
214.12335	3.1
216.10181	2.3
217.10234	3.6
218.11829	13.0
219.11752	2.6
220.13371	2.6
221.13235	6.1
222.11279	3.7
223.14981	2.2
225.12750	1.8
229.12318	5.2
231.11772	5.8
232.09666	8.2
232.12476	4.9
233.13387	3.3
233.15442	2.5
234.11211	6.1
235.11288	2.9
235.14819	3.2
237.16518	2.4
243.11658	2.7
243.13887	4.3
244.13132	3.5
245.15591	2.0
246.14214	5.0
247.11163	2.3
247.14906	16.5
248.12656	1.9
248.15720	2.5
249.12674	2.3
249.16432	3.8
256.13318	6.9
257.13159	5.1
258.14621	2.3
259.11234	2.5
260.12430	1.9
261.16379	5.8
265.16025	2.6
271.14835	3.0
272.15353	2.5
274.13882	4.2
275.14273	4.2
282.14600	2.4
285.16376	2.1
289.05249	2.0
289.15936	5.5
299.13660	1.8
316.17056	2.0
374.21463	8.3
376.22598	5.6
388.22696	5.9
398.21112	5.3
402.20605	2.8
416.22174	24.8
418.23810	4.9
426.20709	2.6
434.23322	5.3
438.19751	1.9
444.21890	12.6
448.24890	9.2
458.23312	4.4
462.22873	16.7
466.25967	3.2
476.24332	14.7
480.23938	3.4
494.25214	19.7
512.26709	12.6
540.25433	2.4
548.26660	8.7
572.28296	4.1
580.29102	5.3
598.30267	13.5
608.28485	2.7
626.29211	6.5
640.31055	10.1
658.32092	31.0
664.19757	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.8
55.05515	11.9
56.96562	3.7
57.07088	4.8
58.06606	3.4
58.49064	2.4
67.05505	10.9
69.03436	11.6
69.07057	4.4
71.55102	2.7
74.09707	20.5
75.10049	3.3
76.07653	10.7
79.05504	8.3
81.03413	14.5
81.07061	7.1
83.04984	18.6
91.05492	12.1
93.07050	9.2
95.04976	17.9
95.08593	3.6
97.02869	3.0
103.05466	4.6
105.03425	4.4
105.07052	24.0
107.04980	3.1
107.08601	5.9
115.05486	4.7
116.98622	3.0
117.07063	4.8
119.08580	20.3
121.02864	9.8
121.06499	7.3
121.10153	2.7
123.04425	2.7
129.07019	6.3
131.04955	6.6
131.08604	8.4
133.06502	23.2
133.10130	11.4
135.08080	5.1
136.97382	2.5
142.07784	4.5
143.08577	11.7
145.06526	5.1
145.10135	7.5
147.08076	9.7
149.58691	2.6
155.08588	4.4
156.09366	4.7
157.06509	3.1
157.10135	11.1
157.11353	2.7
159.08037	10.2
159.11720	4.0
161.06001	28.3
161.09657	4.7
163.07617	2.7
163.11282	2.9
165.07053	4.4
167.08606	3.6
169.10187	16.6
170.10847	5.3
171.08031	3.5
171.11707	11.1
172.11969	2.9
173.09618	8.8
175.07620	4.8
179.08504	3.0
181.10129	9.4
183.11702	14.6
184.08791	3.1
184.12302	3.6
185.09642	5.5
185.13281	17.0
187.07585	3.4
187.11197	5.6
189.05501	6.9
189.09175	17.6
192.09550	3.2
193.10056	4.2
194.10930	4.6
195.11734	14.4
197.09630	4.5
197.13316	4.0
199.11234	9.4
201.09070	4.8
201.12752	3.2
203.07065	5.5
206.10959	4.2
207.11694	9.9
208.12389	5.4
209.09657	4.6
209.13248	15.5
211.05731	3.2
211.11206	5.8
213.09200	3.2
213.12794	8.2
215.10635	3.7
220.12625	7.0
221.13261	13.5
223.11307	16.5
223.14833	7.7
225.12842	3.4
229.12383	3.3
231.11717	3.5
233.13368	4.6
235.11246	4.6
235.14809	10.7
237.12735	9.1
244.12392	3.6
245.13284	5.9
247.11230	4.6
248.12123	4.1
249.12663	5.2
251.14235	14.1
257.13162	3.2
259.14890	4.4
260.15451	3.9
261.12689	3.5
263.14383	13.0
267.11679	2.7
269.13434	3.8
270.13895	4.1
271.14902	3.2
273.12674	3.7
275.14285	4.1
285.16135	3.8
287.14294	6.4
288.15125	5.3
289.15854	2.9
297.12814	3.0
298.13397	5.8
301.15839	4.1
302.16550	2.6
303.17313	4.1
312.15192	5.9
313.16019	8.3
315.17499	5.9
317.15509	14.6
319.13217	3.5
327.17545	7.5
329.15582	4.1
329.19113	9.6
331.16928	100.0
331.20889	5.2
333.18521	3.8
343.16815	10.9
345.14365	4.7
345.18488	69.2
355.16901	8.2
357.18594	18.1
361.17889	8.8
367.16879	3.6
373.17996	67.7
374.18253	3.3
375.19586	10.2
385.18045	15.6
391.19153	16.4
403.19135	15.8
405.20660	87.0
417.20554	6.8
435.21793	17.7
445.19800	4.2
471.21909	3.5
495.23996	6.6
519.37463	2.9
521.25189	6.1
546.20831	2.7
549.25012	4.2
555.33002	3.1
567.25745	20.0
609.26868	6.5
617.33362	3.4
659.27869	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	657.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.5
53.03945	7.2
55.01875	2.3
55.05265	2.3
55.05508	26.1
57.03424	4.8
57.07067	2.8
57.62173	1.5
59.04986	1.9
65.03941	5.9
67.05503	97.1
69.07064	19.8
71.04985	9.6
79.05490	78.4
81.03431	2.0
81.07054	97.9
83.04987	6.8
83.08614	13.7
85.06534	4.7
91.05477	100.0
93.07042	77.9
95.04953	8.2
95.08601	57.1
97.06519	9.4
97.10173	6.0
99.08092	1.9
102.14012	1.1
105.04514	4.4
105.07030	50.4
107.04940	3.4
107.08585	40.0
109.06539	4.9
109.10158	16.8
111.08084	7.3
112.74283	1.3
115.05465	3.8
116.06230	2.0
117.07011	45.1
119.08578	44.6
121.06509	4.6
121.10137	62.6
123.08064	6.1
123.11707	4.3
125.09615	4.1
128.06247	3.8
129.07001	14.0
130.07768	2.0
131.08565	46.2
133.06482	2.3
133.10130	35.8
135.08057	5.5
135.11688	31.3
137.09605	4.3
141.06969	6.8
141.09029	1.4
142.07767	2.1
143.08551	13.6
145.10123	35.3
147.08070	3.1
147.11690	21.1
149.09650	3.8
149.13226	8.6
151.11160	3.4
155.08530	5.4
157.10147	13.4
159.11688	18.4
161.13232	10.1
163.11211	3.8
163.14883	1.8
165.12869	2.5
167.08600	2.1
169.10127	7.2
171.10202	2.3
171.11655	16.6
171.63367	1.5
173.13242	10.2
175.11203	2.8
175.14838	2.3
177.12746	7.0
179.14330	2.6
181.10063	3.5
183.11705	6.6
185.13222	7.0
187.14819	2.3
189.11310	3.5
189.16470	1.4
195.11719	3.2
195.13754	1.5
197.13272	5.4
199.14853	4.1
209.13326	2.2
211.14789	2.9
213.16438	2.8
223.14911	1.4
227.12729	3.1
229.19676	2.3
233.15472	1.8
237.16426	2.7
239.17984	6.0
241.19633	3.1
255.17506	1.3
257.19016	19.7
259.20544	13.4
261.22034	1.7
273.18539	5.0
275.20032	28.9
277.21649	10.3
289.21759	2.3
293.21170	1.8
307.22556	2.7
313.21634	4.0
315.23135	3.3
331.22592	14.4
333.24304	17.2
335.25891	8.0
347.22198	3.8
349.23611	7.7
351.25378	9.2
363.25320	4.2
365.26971	2.5
379.24701	2.8
513.35248	2.1
515.38745	2.1
527.37177	5.0
529.38593	2.3
533.39630	2.7
543.36853	2.1
545.38562	2.2
607.43433	31.7
613.44769	3.6
625.44574	25.3
639.46136	8.6
657.47192	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	657.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.5
55.05508	17.1
57.03422	6.9
65.03932	3.6
67.05505	70.7
69.07070	15.9
69.44746	4.5
69.45150	17.8
71.04967	5.9
71.08666	2.4
77.04016	2.9
79.05492	64.7
79.05952	3.1
81.03399	2.6
81.07053	68.7
83.04985	5.5
83.08616	8.5
85.06489	3.4
91.05479	100.0
93.07045	63.8
95.04955	6.9
95.08604	47.3
97.06512	10.2
97.10162	6.6
99.08112	4.0
103.05484	3.1
105.04522	3.0
105.07028	52.1
107.04936	4.7
107.08589	29.3
109.06512	5.8
109.10157	16.3
111.08083	3.7
113.75625	2.7
115.05453	3.9
117.07019	54.1
119.08578	40.7
121.10130	34.2
123.08031	3.3
129.07013	23.0
131.08565	48.5
133.10132	38.8
135.08040	3.5
135.11694	20.8
137.09613	3.9
141.06963	6.8
143.08565	21.6
145.10115	34.0
147.11667	23.3
149.09593	4.4
149.13280	4.9
155.08578	8.3
157.10114	16.3
159.11679	20.3
161.13252	10.8
163.11247	4.1
169.10115	10.6
171.11700	15.8
173.13217	13.1
175.11111	3.0
177.12784	6.1
181.10088	7.7
183.11687	9.7
185.13257	7.8
187.14917	3.6
189.12744	3.2
195.11621	4.6
197.13269	5.1
199.14806	3.9
211.14775	5.4
239.17894	8.6
257.19037	20.4
259.20517	13.0
261.22232	3.4
273.18530	5.8
275.20087	17.3
315.23175	4.1
331.22656	18.0
333.24362	35.4
335.25809	4.1
349.23651	11.2
351.25186	7.3
363.25381	3.6
381.26721	4.2
515.38477	3.9
527.37598	3.9
589.41663	3.3
607.43750	35.7
613.28503	3.0
625.44403	19.4
639.46063	14.2
657.31506	5.3
657.43762	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	657.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33751	5.1
53.03950	8.9
55.01864	25.5
55.05503	21.0
57.44902	4.8
67.05505	9.4
69.03433	8.7
69.19097	50.3
73.85858	5.2
79.05508	12.1
81.03421	10.5
81.07056	16.2
83.04976	41.5
90.09193	5.1
91.05485	39.6
93.07031	15.3
95.04958	15.2
96.85012	4.9
105.07027	22.9
107.04938	6.4
107.08558	8.1
115.05461	12.9
117.07024	27.8
119.08578	42.0
121.06522	6.5
128.06247	9.1
129.07002	29.6
131.08557	25.3
133.10124	21.1
133.61230	5.1
135.08057	7.6
141.07045	5.7
142.07767	7.9
143.08563	22.0
145.06502	26.6
145.10120	20.9
147.08047	100.0
147.09192	5.8
147.11627	4.9
149.09621	14.7
155.08548	10.1
156.09373	18.9
157.10135	41.2
159.08086	42.3
159.11699	23.2
161.09613	45.9
161.13353	5.6
163.07574	59.4
163.11145	5.7
169.10110	15.9
169.31198	5.3
169.64943	4.9
170.10858	10.0
171.08051	13.2
171.11679	54.3
173.09581	27.0
173.13156	6.8
175.07536	13.1
181.10152	9.7
183.08064	5.7
183.11679	50.9
185.09637	19.1
185.13289	53.0
187.11177	6.2
189.09114	9.7
193.10115	6.5
195.11737	13.0
196.27626	5.5
197.09593	6.8
197.13281	14.7
199.11249	23.1
201.09180	11.9
201.12784	9.1
207.11778	7.5
211.11264	8.6
213.12785	41.7
217.12364	10.8
221.13258	12.2
223.11183	11.3
225.12906	7.8
229.12181	10.1
231.13785	12.0
237.12816	8.4
241.12283	10.9
243.13777	24.3
245.13196	6.8
245.15434	31.7
249.12723	8.8
255.13829	7.8
259.13309	15.5
261.14969	6.5
269.13461	6.3
273.14911	20.5
287.14316	6.8
301.15857	5.8
315.17361	11.5
317.18994	9.2
323.70358	5.6
327.21921	5.8
329.18988	9.7
333.18369	6.6
341.18924	10.0
345.18738	9.8
357.18552	9.8
359.19803	6.5
361.17984	6.3
375.19473	6.7
377.21155	7.4
387.19608	16.1
389.21118	22.7
391.22653	8.8
401.21164	8.7
407.22202	10.8
419.22226	40.3
420.22653	5.5
437.23175	15.8
653.48505	6.4
657.23907	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	657.3256
Annotation	Chisonimbolinin A
Peak:m/z	Relative Intensity
55.01881	23.5
55.05524	32.9
55.75175	4.1
57.03442	10.5
57.20467	4.5
65.30247	3.8
67.05513	34.6
69.03423	14.1
69.07071	9.1
71.55529	5.8
71.55901	4.1
76.14420	4.3
79.05505	23.4
81.03422	35.0
81.07043	24.0
83.04989	54.4
83.08617	7.3
85.02916	7.1
91.05492	39.4
93.07069	24.3
95.04975	20.3
95.08613	18.0
97.02897	4.3
103.05473	5.8
103.75864	4.1
105.07039	38.2
107.04957	14.6
107.07919	4.4
107.08584	22.4
109.06507	7.7
109.10164	12.1
110.06007	4.5
115.05450	13.6
117.07047	26.6
119.08595	46.4
121.06483	7.5
121.10150	9.4
124.59911	3.9
125.09611	7.2
128.06230	9.8
129.05478	5.2
129.07042	22.5
130.07820	6.0
131.04926	15.0
131.08604	25.5
132.08916	5.5
133.06540	5.2
133.10172	28.6
135.08038	10.1
137.09621	6.5
141.06987	6.9
142.07790	9.9
143.08586	30.0
145.06499	22.4
145.10136	20.0
147.08064	100.0
149.09631	15.7
149.13260	7.3
155.08571	12.9
156.09343	13.9
157.10164	48.3
159.08092	36.4
159.11739	23.1
161.09659	47.5
163.07529	48.7
163.11172	4.6
165.07057	5.1
167.08698	6.0
168.09402	8.2
169.10141	18.7
170.10855	11.9
171.08055	10.4
171.11708	69.4
173.04489	10.1
173.05894	7.0
173.09682	28.7
173.11835	6.2
173.13231	8.5
175.07524	8.1
175.11194	6.4
181.10048	9.0
183.08066	10.0
183.11725	64.2
184.12065	5.5
185.09641	18.5
185.13280	47.7
186.13548	4.6
187.07481	11.0
187.11165	17.3
189.09041	6.1
193.10193	8.0
195.11682	15.3
195.13800	5.6
197.09634	12.9
197.13272	11.6
198.10268	7.1
199.11203	20.1
201.09119	10.5
201.12747	12.7
203.10677	5.5
206.11072	4.7
207.11586	6.3
209.09628	7.3
211.11183	14.0
213.12787	41.1
214.13118	7.3
215.10660	5.2
217.12384	8.2
220.12360	4.6
221.13205	7.0
223.11185	10.7
227.10632	8.2
229.12218	12.1
229.14362	8.8
231.13857	14.6
233.09535	5.8
235.14787	6.4
237.12704	10.5
237.16243	5.0
241.12250	11.3
243.13826	14.7
244.12592	6.7
245.13268	6.5
245.15424	30.1
249.12682	5.6
251.14415	8.4
259.13284	8.8
261.14972	8.7
263.14255	7.5
269.17529	7.5
270.13965	4.6
273.14932	30.0
275.14462	7.4
281.15421	4.2
285.12820	6.2
287.14346	6.3
291.15894	11.7
299.14261	6.8
305.18802	5.3
313.15710	6.9
315.17490	14.0
317.19073	5.7
327.17419	9.5
332.17636	4.7
333.17825	5.3
341.18973	6.5
344.74634	4.4
345.18631	8.3
347.15891	5.1
357.18192	4.8
359.19943	9.6
375.19357	6.5
379.19196	5.2
387.19580	12.9
389.20993	15.4
391.22662	12.0
397.19528	4.8
401.21100	15.6
405.20377	6.8
407.22180	16.9
419.22238	42.5
437.23120	18.6
479.24255	7.2
497.25006	7.0
505.25610	4.8
539.26111	6.4
657.28967	7.3
658.36072	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	657.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.2
53.03946	2.5
55.01862	3.0
55.05509	6.9
57.03423	2.7
57.68272	1.2
59.30068	1.1
66.25134	0.9
67.05508	9.3
67.83308	1.0
68.11855	1.0
69.03419	4.9
69.07066	2.7
71.04996	1.2
71.55127	1.5
79.05499	6.4
81.03413	5.8
81.07065	8.8
83.04975	7.7
85.02896	1.7
91.05492	13.1
91.06030	1.8
93.07037	9.8
95.04980	5.7
95.08613	4.9
97.02857	2.0
97.06544	1.9
99.17546	1.0
103.05476	45.5
105.03397	1.2
105.07033	14.8
107.04924	1.4
107.08595	7.7
109.06510	3.1
109.10144	2.4
111.04434	2.0
111.08100	2.5
115.05475	3.2
117.07074	5.6
119.08588	16.2
121.06502	2.6
121.10149	4.6
123.08048	1.8
127.03940	1.9
128.06190	3.2
129.07005	5.0
130.07645	1.1
131.04936	100.0
131.08571	11.5
132.05423	1.1
133.06477	4.7
133.10136	17.1
135.08067	3.6
135.11708	1.9
141.06995	4.6
142.07784	3.4
143.08549	8.7
145.06496	4.0
145.10106	8.2
147.08073	6.6
147.11661	2.1
149.09595	3.5
155.08563	5.1
156.09352	6.4
157.06427	1.3
157.10133	11.9
158.07262	1.8
159.08089	7.6
159.11684	6.8
161.05975	2.6
161.09583	5.9
163.07549	6.4
163.11185	1.2
165.07028	2.5
166.07768	1.5
167.08612	3.5
168.09355	1.5
169.10146	9.9
170.10899	2.8
171.08110	2.8
171.11697	12.5
173.04541	1.1
173.05978	2.1
173.09618	6.4
173.13240	2.0
175.07561	2.2
177.09167	2.8
177.12856	1.4
179.08580	2.8
181.10114	4.4
182.10916	1.9
183.08029	2.4
183.11710	10.4
184.08777	1.7
185.09645	5.0
185.13239	7.6
187.07571	3.8
187.11169	2.0
189.09097	2.4
189.12823	1.6
192.09338	2.6
193.10123	4.4
194.10847	1.4
195.08014	2.1
195.11732	7.7
196.08873	1.4
197.09627	4.2
197.13257	5.4
198.10184	1.1
199.11154	9.2
200.11967	3.9
201.09138	3.2
201.12747	3.0
202.27342	1.3
205.08537	1.9
205.10219	2.2
206.10899	2.6
207.11688	5.4
208.12465	1.7
209.09663	1.9
209.13284	3.1
211.11220	5.3
213.09174	2.6
213.12724	13.3
215.10712	1.9
215.14348	2.8
217.10210	2.5
218.10899	1.6
219.11731	5.4
220.12440	3.8
221.13239	4.6
223.11200	2.5
223.14764	2.0
225.09135	2.0
225.12766	5.7
227.10603	2.5
227.14526	1.5
229.10219	2.6
229.12241	2.7
231.11705	4.5
231.13818	1.6
232.12341	2.3
233.09520	1.3
233.13263	4.4
234.13899	2.0
235.11069	2.4
235.14932	2.7
237.12773	3.7
239.10820	2.2
239.14229	1.4
241.10126	1.7
241.12242	2.0
243.11661	2.8
243.13811	6.3
244.12431	2.2
245.13318	3.1
246.14023	2.9
247.11256	1.8
247.14839	4.5
249.12828	2.7
249.16489	2.9
251.14294	3.1
253.08623	2.3
255.11624	3.3
256.12399	1.4
257.13312	3.7
258.13986	2.2
259.14923	3.5
260.15555	1.6
261.12698	2.5
261.16318	3.4
263.14365	2.4
265.15759	1.5
269.13132	2.8
269.17456	1.7
270.13986	2.0
271.09650	1.7
271.14841	4.9
272.15448	2.0
273.16293	3.6
274.13452	1.3
275.18018	2.4
277.15909	1.9
283.14694	1.5
285.16406	1.9
286.16992	1.7
289.15732	2.0
297.12891	1.6
297.16232	2.5
299.14209	2.8
303.13828	1.7
303.17453	3.3
303.20911	1.2
304.18192	2.2
311.14145	1.7
313.19464	1.8
315.17404	1.5
317.18958	1.8
321.18362	3.0
322.19101	1.4
328.22369	1.2
329.15244	3.2
329.19006	2.4
333.18365	3.1
339.19846	1.7
341.19003	3.8
343.16946	3.4
345.18549	2.9
347.16177	2.8
347.20038	2.1
357.18442	11.6
358.76147	1.3
359.20123	10.8
361.17993	2.0
363.19400	1.8
369.18576	10.2
372.17212	1.3
375.19403	5.5
377.21011	5.0
387.19611	31.9
405.20621	27.5
406.20880	1.3
423.21530	7.2
463.30576	3.1
473.23068	2.9
491.24362	5.3
509.25522	5.6
657.29034	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36323	2.7
53.03945	9.1
55.01875	21.2
55.05264	3.8
55.05514	55.2
62.76466	2.2
65.03950	2.9
67.05515	4.1
69.03474	3.6
69.28396	5.9
69.28806	16.7
77.03946	4.2
79.05493	30.0
81.03409	25.6
81.07052	8.5
83.04481	4.8
83.04986	100.0
83.70905	2.5
91.05489	32.0
93.07044	7.0
95.04974	17.5
95.08595	3.5
101.06019	4.0
103.05464	4.0
105.03389	19.2
105.04453	2.6
105.07031	18.0
107.04960	25.7
107.08597	5.3
109.06541	5.7
115.05441	7.7
116.06235	3.4
117.07021	18.8
118.17982	2.8
119.08594	50.2
121.06528	9.4
128.06223	8.2
129.07019	29.0
130.07803	3.9
131.04959	7.5
131.08582	21.4
133.06500	9.2
133.10136	11.6
135.08075	4.1
141.07011	5.2
142.07776	5.8
143.08580	18.4
144.05704	3.9
144.09338	5.6
145.06482	21.2
145.10126	13.7
147.08057	89.8
147.09227	5.1
149.09634	45.3
152.06219	3.1
155.08612	3.3
156.09355	9.0
157.06519	6.2
157.10147	45.0
159.08060	51.6
159.11703	49.2
161.09605	51.2
163.07526	2.9
165.07039	3.3
167.08597	3.1
169.10120	25.0
170.10950	3.9
171.08128	5.7
171.11711	29.5
173.05974	5.5
173.09650	19.1
173.13266	15.1
175.07558	29.8
179.08636	4.3
181.10075	4.7
183.08073	5.5
183.11714	30.8
185.09599	8.5
185.13280	5.2
187.07645	3.3
187.11252	15.3
189.09126	6.1
191.10690	6.8
193.10165	7.7
195.11719	7.5
196.08855	3.1
197.09575	14.0
197.13240	6.6
199.11191	12.0
201.09084	3.9
201.12701	12.3
203.10623	3.2
205.10292	3.2
206.10718	2.7
207.11699	9.2
209.09706	4.4
209.13219	7.1
210.10353	3.5
211.11226	10.7
211.14828	3.8
213.12805	2.9
215.10660	8.7
217.12193	6.9
219.11765	6.9
220.12421	4.4
221.13258	9.5
222.13992	3.0
223.11198	7.0
223.14796	6.5
225.12784	23.8
227.10690	5.6
227.14114	3.0
229.10225	4.3
229.12172	13.0
231.13753	5.8
233.09612	4.1
233.13350	5.2
233.15280	13.3
235.11259	4.1
235.14842	3.3
237.12677	6.9
239.10780	4.1
239.14224	6.4
241.12239	2.8
243.13860	6.8
244.12389	3.3
246.13844	2.7
247.15178	3.1
247.92593	2.9
249.12772	8.6
251.14339	8.4
258.14169	3.0
259.11130	3.8
261.12546	5.5
261.14935	11.9
263.14200	4.8
265.15961	7.6
267.13956	3.8
272.15823	2.8
273.12802	3.4
275.14273	4.4
277.12299	2.9
284.11777	3.4
285.12668	4.6
287.14005	3.5
287.18018	3.9
289.15836	4.2
291.17294	5.0
297.16171	3.0
299.14233	5.8
301.15817	4.0
303.17435	4.1
305.18832	4.8
313.15738	5.3
315.17419	22.4
317.15402	3.5
319.16925	3.7
319.20483	4.7
329.15488	4.0
329.19003	9.7
331.16995	5.2
333.18546	20.4
334.37549	2.9
339.17560	3.4
343.16833	10.2
343.20566	5.1
345.18567	3.5
347.20248	14.4
357.18530	13.1
361.17749	4.2
375.19565	27.6
379.22873	3.1
385.17853	5.9
389.21072	19.0
391.18906	5.0
403.19104	12.5
407.13412	3.8
407.22208	60.5
417.20679	31.7
435.21713	41.7
535.27386	4.7
555.22845	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	657.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.4
52.41830	1.1
53.03931	3.7
54.08291	1.2
55.01870	6.9
55.05498	4.5
55.45181	1.2
57.07068	4.5
57.99710	1.1
65.03954	1.9
67.05502	10.8
69.03424	8.0
69.07063	2.8
71.56608	1.8
79.05498	9.8
80.15903	1.0
81.03423	11.7
81.07048	5.8
83.04987	5.8
84.78355	1.3
85.02908	26.3
85.06515	1.6
91.05492	17.4
93.07043	10.4
95.04971	33.2
95.08597	3.7
103.04791	2.2
103.05474	45.4
105.04553	1.6
105.07033	19.3
107.04947	7.9
107.08578	5.0
109.06508	5.9
109.10152	1.7
115.05421	5.7
116.06214	1.2
117.07020	12.1
119.04890	1.6
119.08589	20.2
121.06486	7.2
121.10117	2.0
123.08068	1.8
128.06216	5.9
129.07008	12.9
131.04930	100.0
131.08553	10.8
132.05272	1.9
133.06483	5.9
133.10144	4.7
135.08070	5.5
141.06958	4.5
142.07785	9.4
143.08562	13.0
145.06479	14.1
145.10110	10.0
147.08046	26.4
149.09634	5.5
153.07002	2.9
154.07787	3.7
155.08563	6.4
156.09290	4.4
157.10130	14.9
158.07312	1.8
159.08041	17.6
159.11676	11.5
161.09621	6.7
163.07550	22.9
163.11028	1.3
165.06982	3.5
167.08591	5.1
168.09326	3.3
169.10130	27.5
170.07272	3.6
170.10930	2.6
171.08070	4.3
171.11711	9.5
173.06076	1.5
173.09627	14.3
173.13312	2.3
175.07553	3.9
175.11247	1.8
179.08569	5.6
180.09358	2.0
181.08691	1.2
181.10048	6.5
183.08022	1.7
183.11700	17.4
185.09616	18.8
185.13249	9.4
187.07558	1.7
187.11205	12.3
188.11519	1.3
189.09113	1.3
191.08690	1.6
192.09320	3.3
193.10091	6.8
194.10905	4.3
195.11667	8.3
196.08766	1.6
196.12463	1.4
197.09628	7.4
197.13347	4.2
199.11177	4.3
201.09108	4.9
201.12839	6.2
203.08531	2.1
203.10583	1.6
204.09308	1.6
205.10120	3.2
206.10950	6.9
207.11630	10.8
208.12445	3.3
209.09679	3.3
209.13268	10.5
211.11163	4.3
211.14850	7.1
213.12746	5.4
215.10600	3.3
217.10083	4.8
218.10933	2.6
219.11763	6.5
220.12564	5.6
221.09718	2.1
221.13245	14.5
223.11166	5.5
223.14799	5.6
225.12752	3.8
225.16496	1.5
229.10069	5.5
229.12294	5.7
230.10802	5.7
231.11743	10.7
231.13806	2.2
232.08688	1.8
232.12405	5.8
233.09528	2.0
233.13295	8.7
233.15315	2.1
234.14024	1.9
235.11264	2.9
235.14861	9.2
237.12781	5.9
237.16251	2.9
239.10768	1.4
239.14323	4.3
241.10139	1.8
242.10887	3.4
243.11630	3.5
243.13737	2.7
244.12471	4.0
245.13251	9.4
246.14044	5.3
247.11220	2.4
247.14903	10.0
249.12764	4.0
249.16455	9.8
251.14346	1.9
253.09880	1.6
253.15855	2.3
255.11696	3.8
256.12497	2.5
257.09561	2.6
257.13486	6.1
258.10458	1.6
258.14023	4.4
259.10999	2.6
259.14838	4.3
260.11841	2.5
260.15549	3.1
261.12598	2.7
261.16367	4.2
262.17181	1.7
263.14261	2.8
265.15955	2.0
267.11591	1.7
269.13171	3.5
270.10202	1.8
270.13907	3.2
271.11200	5.0
271.14743	4.2
272.11996	3.6
272.15488	2.3
273.12671	5.0
273.16302	3.4
275.14874	1.9
275.17801	8.1
276.15204	1.4
277.15839	3.6
281.13257	2.8
283.11203	2.3
283.14734	2.9
284.11850	2.7
284.15295	1.9
285.12753	6.0
285.15887	2.3
286.13464	4.8
287.14380	4.6
287.17828	1.9
289.15973	3.4
295.14795	3.3
297.12936	2.5
297.16318	2.1
298.13464	4.1
299.14334	8.1
299.17648	2.7
300.15018	6.7
301.12378	2.1
301.15839	5.3
303.17383	4.3
305.15295	3.2
305.18741	1.9
307.16830	3.0
310.17245	1.8
313.15952	6.8
314.16626	3.7
315.14035	1.4
315.17426	19.0
315.20932	2.7
316.17902	1.4
317.18933	1.6
321.18439	1.6
325.15979	2.3
325.19553	2.9
327.17374	10.7
328.18152	6.0
329.15631	1.5
329.19061	8.4
330.16092	3.2
333.18585	1.8
333.22098	1.7
341.18961	3.8
342.19617	3.8
343.17004	4.3
343.20569	69.7
345.18527	12.5
353.19125	7.1
353.22754	1.5
357.18491	5.2
359.16339	1.3
361.17935	1.9
361.21667	18.2
371.20050	27.5
375.19705	2.9
385.18265	1.6
389.21088	26.7
390.21628	1.5
403.18967	3.9
407.22266	2.2
409.85800	1.2
417.20773	4.3
431.22214	25.4
435.21497	5.0
449.23428	5.8
577.81659	1.2
639.27313	1.5
657.30109	2.9
657.41010	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.9
61.22895	0.7
67.05506	6.6
69.07068	1.9
79.05503	6.5
80.14339	0.8
81.07059	7.1
83.08617	1.1
88.53327	0.8
91.05479	7.6
93.07058	5.6
95.08598	3.3
97.06499	1.0
97.10182	1.0
98.21627	1.5
105.07019	2.8
107.08567	2.9
109.10149	1.3
117.07042	1.7
119.08572	2.4
121.10141	3.8
131.08553	2.7
132.08122	1.4
133.10149	2.4
135.11653	1.1
141.07010	1.0
144.08138	0.8
145.10104	1.0
147.11687	1.4
153.46870	0.9
159.11690	1.5
161.13232	0.9
171.11670	1.0
197.98111	0.8
221.10782	1.3
223.12302	1.5
234.11377	0.8
235.12334	1.4
236.13011	1.0
237.13931	1.0
246.11549	1.2
247.12271	1.7
249.13837	1.1
259.12405	1.2
259.54272	0.9
260.11722	1.0
261.13910	1.5
273.13803	1.3
275.14877	1.3
275.19995	1.7
276.15112	1.0
288.16223	1.1
289.16510	1.3
306.27817	1.0
308.76953	1.0
327.76419	0.9
330.15677	1.1
337.15353	1.0
337.22668	0.9
338.16376	1.5
340.18164	1.3
345.11230	0.8
349.15073	1.1
350.16400	1.3
351.16504	0.9
351.25195	1.1
352.17859	1.3
353.18622	1.3
363.16388	1.2
364.17572	1.4
365.17551	2.7
366.18906	1.0
375.16412	1.3
376.17386	2.3
377.17804	3.1
378.19107	2.0
379.19263	3.8
380.20377	1.5
381.20755	1.0
389.17664	1.4
391.19354	4.0
392.20041	2.7
393.16949	2.5
393.21002	2.4
394.17596	1.5
394.22043	1.3
395.18222	1.2
403.15085	1.1
403.19739	1.1
405.21021	1.9
406.22052	1.2
407.18439	3.1
407.22421	2.9
408.19250	2.6
409.20465	5.4
419.18250	2.0
419.23007	1.1
419.50583	1.3
421.19650	5.3
422.20966	3.7
423.21948	17.2
424.22345	1.5
433.20233	1.7
434.21332	1.2
435.22324	5.4
436.23334	3.9
437.23776	4.2
442.21191	1.7
444.22623	1.2
447.22128	1.8
449.18765	1.7
449.23593	3.5
450.24481	1.2
451.20673	5.0
452.22864	1.2
453.23206	1.1
454.19977	2.9
460.22083	0.9
461.23666	6.7
462.21271	1.7
463.21161	3.0
464.22333	2.0
465.23544	3.9
466.21637	1.0
467.24390	3.3
468.25430	2.3
476.21982	1.2
477.23178	6.0
478.23181	2.8
479.24152	5.7
481.22141	2.5
493.21512	6.0
494.27310	5.1
495.23822	10.0
496.24515	3.6
505.22446	1.5
507.23880	1.3
508.24893	10.0
509.25797	10.4
510.26517	8.6
511.27280	10.9
521.26086	4.8
522.26038	2.6
523.23151	4.4
526.29205	1.8
537.25244	16.2
538.25836	9.8
549.24860	1.1
551.22791	1.8
553.28754	6.3
555.26178	1.4
565.24091	3.3
566.24854	1.1
570.28131	4.1
581.27612	18.5
582.26917	1.1
583.25482	4.8
596.27509	1.1
597.27148	42.3
598.27710	4.7
613.30261	72.3
614.30432	2.5
625.26624	100.0
626.26654	2.6
657.29517	9.6
657.46625	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	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.05511	3.3
56.28107	0.6
60.05658	1.1
67.05506	7.4
68.05817	0.9
69.07062	1.7
79.05502	4.9
81.07061	6.2
83.08610	1.7
85.06568	0.6
91.05482	6.6
93.07037	5.9
95.08614	4.4
97.10172	1.3
98.21508	1.6
105.07034	2.7
107.08599	2.8
109.10187	1.6
117.06995	3.1
119.08601	2.0
121.10142	3.7
129.07045	1.3
131.08592	2.4
132.08087	0.9
133.10159	2.3
135.11726	2.3
145.10149	2.5
147.11697	1.5
149.13303	0.7
157.10120	1.3
158.09599	0.9
159.11676	1.5
161.10712	0.7
161.13292	0.6
171.11725	0.9
173.13351	0.7
185.10884	0.7
197.10593	0.7
209.10735	0.9
220.09819	0.8
222.11566	0.6
223.12271	0.7
233.10870	1.2
235.12355	0.9
237.13942	1.1
239.15491	1.0
247.12457	1.5
249.13988	1.4
257.19034	0.8
259.12341	1.2
261.13818	2.7
262.14624	0.8
263.11813	0.8
273.13950	2.1
274.13565	1.3
275.15430	1.3
275.20123	1.9
276.15100	0.8
287.15634	0.9
288.15771	1.1
302.16730	0.7
314.16623	0.8
316.14429	1.3
318.16092	1.3
322.13632	0.6
323.14093	0.8
324.14722	0.6
326.16370	1.3
327.17651	0.7
331.22714	1.2
332.17676	1.3
333.24225	0.7
337.15585	1.1
338.16547	1.7
339.17426	0.7
340.18137	1.2
348.14615	0.8
350.16330	1.0
351.16656	1.0
351.25327	0.9
352.18106	1.0
353.18588	0.8
361.14914	0.9
362.15628	1.1
363.15979	1.8
364.17291	1.9
365.17783	1.8
375.16211	1.5
376.17703	2.1
377.17923	3.1
378.19019	1.9
379.19672	4.0
380.20825	0.8
381.21237	1.4
389.17880	0.9
390.19043	1.4
391.19568	3.4
392.20160	2.8
393.17166	2.7
393.21100	2.2
394.17761	1.5
395.18518	1.0
403.19589	1.0
404.16708	0.8
405.16476	0.9
405.20850	2.5
406.17740	0.9
406.22247	1.5
407.17792	4.0
407.22693	2.4
408.19235	3.9
409.20291	4.9
414.22241	0.7
417.17334	0.7
419.18683	2.2
419.23242	1.1
420.19324	0.8
421.19644	6.1
421.24890	1.8
422.21655	3.2
423.21841	17.4
424.23047	1.3
426.21603	1.5
433.20273	1.1
434.21222	1.3
435.22025	9.5
436.23349	3.3
437.24036	4.4
438.21970	1.0
440.23053	0.9
444.23154	0.8
446.13620	1.2
446.21072	1.9
447.22452	1.5
449.18951	1.3
449.23773	2.6
450.24213	2.7
451.20605	4.0
452.22202	1.4
453.23538	1.0
454.19858	4.7
461.23795	6.7
463.21176	3.4
464.22058	2.5
465.23087	4.8
466.23575	1.2
467.25143	3.7
468.24939	2.7
476.22495	1.8
477.22952	5.7
478.24493	3.2
479.25089	6.7
480.22549	0.9
481.22226	3.7
489.22577	0.7
491.20908	1.3
493.21371	6.1
494.27289	5.2
495.23645	12.4
496.24783	5.0
503.23526	0.7
505.22784	2.1
507.23758	1.9
508.24911	14.5
509.25922	11.3
510.26608	10.1
511.27301	14.6
516.25500	0.8
519.24329	1.4
521.25793	5.6
522.26044	2.5
523.23193	5.4
525.28394	2.6
526.29224	2.4
537.25055	18.5
538.25916	8.4
539.26166	1.2
545.38641	0.7
549.25006	1.2
551.23096	1.9
553.28632	8.1
555.26111	2.1
565.24316	3.5
566.25574	1.3
567.22998	0.8
570.28674	3.6
581.27606	16.9
582.26892	0.8
583.25391	5.3
595.28894	0.8
596.27545	1.0
597.27094	43.5
598.27771	4.7
607.25757	1.5
607.43927	1.6
613.30249	71.0
614.30499	2.5
625.26569	100.0
626.26929	3.8
657.29364	11.6
657.47211	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	657.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
53.41353	1.7
55.01861	4.4
55.05514	61.5
59.99346	1.5
65.03943	2.2
67.05516	7.6
68.53358	1.3
69.03419	6.9
69.07056	6.3
71.01350	1.4
79.05496	8.0
81.03416	4.5
81.07050	5.5
83.04984	100.0
85.02897	3.5
91.05489	17.0
93.07050	10.0
95.04977	8.4
95.08610	8.4
97.06535	1.8
98.21570	2.5
101.02365	1.6
103.05458	8.6
105.03375	5.0
105.04501	1.6
105.07021	17.1
107.04945	5.5
107.08611	8.6
109.02887	1.6
109.06513	4.3
109.10192	2.2
111.04438	2.4
115.05448	5.5
117.07032	10.6
119.04919	3.7
119.08586	21.6
121.06503	5.7
121.10151	7.3
123.04427	4.2
123.08087	3.0
126.05548	2.3
127.03875	1.6
128.06219	5.6
129.06993	5.3
130.07780	2.0
131.04948	13.0
131.08572	11.8
131.15402	1.4
132.05278	1.9
133.06512	9.6
133.10147	13.2
135.08044	6.4
140.07059	3.1
141.06973	5.1
142.07782	5.5
143.08566	9.9
145.06523	8.0
145.10117	11.0
147.08069	16.0
147.11722	2.1
149.05995	3.1
149.09616	5.6
151.07530	2.5
153.07008	2.4
155.08553	8.1
156.09344	6.9
157.06483	3.3
157.10158	16.6
159.04541	1.6
159.08038	12.1
159.11690	5.8
161.06021	10.5
161.09598	11.4
163.07492	3.0
165.06920	2.7
165.09132	4.3
166.07805	2.3
167.08592	3.3
168.09334	2.2
169.10132	14.3
170.10852	5.9
171.08081	9.1
171.11687	30.3
172.08847	3.5
172.12038	1.9
173.06013	4.2
173.09647	12.0
173.13298	2.4
174.10020	1.8
175.07520	4.3
175.11281	2.5
177.05443	3.3
177.09125	3.5
179.07037	1.6
179.08528	2.5
180.09331	2.2
181.10121	5.0
183.08046	2.9
183.11708	21.1
184.08813	2.4
184.12201	2.2
185.09711	8.8
185.13258	19.6
186.13733	3.1
187.11172	5.2
189.05453	4.3
189.09135	4.5
189.11005	1.4
189.12811	2.0
191.10695	3.3
192.09236	2.7
193.10141	4.2
195.07991	3.0
195.11694	7.8
197.09610	6.4
197.13277	3.7
198.10339	2.4
199.07523	2.0
199.11197	18.7
200.11769	3.8
201.09027	3.2
201.12689	2.2
205.10201	2.4
206.10977	2.7
207.11673	6.4
209.09590	4.8
209.13200	4.5
211.07510	3.2
211.11143	6.0
213.09102	4.2
213.12733	14.2
214.13132	3.0
215.10641	4.0
217.10271	3.5
217.12112	4.0
219.09879	2.6
219.11763	4.1
220.12448	3.9
221.13196	4.0
222.13765	2.0
223.11157	5.3
225.09047	4.4
225.12740	4.5
226.09875	2.9
227.10817	2.3
229.10271	2.6
229.12292	4.9
230.10884	3.6
231.11655	4.2
231.13861	6.6
232.12393	4.2
233.09659	2.5
233.13219	5.0
234.10388	2.3
234.14009	2.3
235.11157	2.9
235.14792	3.2
237.12650	4.8
239.10815	1.8
241.10068	1.6
241.12241	3.8
243.09756	2.0
243.11836	3.2
243.13913	3.3
244.12440	3.5
245.13179	4.8
245.15421	5.0
246.14105	1.9
247.11166	4.6
247.14784	6.5
248.12022	2.7
249.12601	3.0
249.16364	4.5
251.14368	4.9
253.12370	2.8
255.11592	2.1
256.12509	1.6
258.13995	2.9
259.10962	2.9
259.13422	7.6
261.12741	2.9
261.16409	6.2
262.13480	3.6
263.14359	6.3
265.15689	1.6
266.12961	1.5
267.13828	1.9
269.13037	2.0
270.14127	2.7
271.11081	2.5
271.14719	4.6
272.11871	2.7
272.15643	2.1
273.12521	3.6
273.16501	1.6
274.13312	3.5
275.14316	5.4
275.17984	6.8
276.15244	2.6
277.12213	2.1
277.15848	2.4
279.17435	1.9
281.15384	3.1
283.11176	2.0
284.11725	2.3
285.16257	2.8
287.14191	7.7
287.17221	2.0
288.14963	3.5
289.15793	4.6
290.16605	5.6
291.17328	4.5
296.15631	2.1
299.14310	3.6
299.17767	2.2
301.15894	2.2
302.16574	3.3
303.13849	2.2
303.17352	6.8
312.15125	2.0
313.12231	2.6
313.15909	4.3
317.15121	3.3
319.16577	2.5
320.17834	2.4
321.18222	7.7
327.17303	3.0
329.15219	2.4
329.18936	1.9
331.16956	8.6
343.16934	5.7
345.18420	5.3
349.17859	4.9
355.16754	3.1
357.18484	2.4
359.16235	6.0
360.17090	2.0
361.17917	4.2
363.19522	5.3
371.16278	1.9
373.18021	10.8
377.17328	7.9
379.15372	4.6
383.16040	2.6
387.19455	1.8
389.17514	6.8
391.19193	8.2
401.17371	5.6
403.18839	2.1
405.20581	4.4
407.18512	2.3
409.19937	6.2
417.20798	2.6
419.18427	24.3
433.19778	3.9
437.19604	36.0
438.19824	2.8
451.20895	5.2
455.20261	3.5
479.20612	2.5
497.21729	12.2
515.08875	1.8
515.22748	5.8
519.23993	2.9
529.24023	2.0
539.22620	2.9
657.33734	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	657.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
55.01869	6.4
55.05511	22.6
55.76551	3.2
62.19979	4.3
67.05497	8.6
69.03431	32.3
69.07084	6.3
79.05492	15.6
81.07062	8.2
83.04974	26.0
91.05492	37.1
93.07037	17.0
95.04978	8.5
95.08618	8.3
103.05469	14.0
105.07036	61.4
107.08606	8.8
109.06510	3.8
115.05484	21.3
117.07012	27.4
119.08593	54.8
120.79908	3.3
121.06551	8.2
128.06242	14.9
129.06985	21.3
130.07796	6.8
131.04933	5.6
131.08595	29.2
133.06483	28.3
133.10115	26.3
135.08064	5.1
141.06967	9.0
142.07767	19.0
143.08560	33.1
145.06508	13.5
145.10121	28.1
147.08072	26.1
147.11714	5.2
149.06010	5.5
149.09622	14.9
153.07016	6.4
154.07736	5.6
155.08600	17.5
156.09303	22.3
157.06575	4.6
157.10146	48.7
159.04419	7.9
159.08102	19.4
159.11708	10.8
161.05969	43.9
161.09647	15.7
163.07536	8.0
163.11151	4.9
165.07027	8.8
165.09129	4.8
166.07791	3.7
167.08530	6.5
168.09297	7.2
169.06551	4.4
169.10155	37.6
170.10924	25.9
171.08025	18.5
171.11696	94.2
173.06029	9.0
173.09619	26.7
173.13229	7.3
175.07594	26.4
175.11246	4.9
177.05466	6.8
177.09123	11.7
179.07037	8.5
179.08530	6.5
180.09370	5.9
181.10136	14.6
182.10822	4.3
183.08058	7.9
183.11687	75.5
184.08878	5.0
184.12335	6.0
185.09615	19.6
185.13261	77.7
187.03891	4.7
187.07608	7.9
187.11220	13.9
189.05455	17.7
189.09091	5.1
191.08604	3.7
192.09305	4.2
193.08594	7.7
193.10214	9.6
194.10913	6.1
195.11763	17.0
197.09586	17.8
197.13254	18.8
198.10292	5.1
199.07510	8.3
199.11157	42.5
200.11906	5.0
201.12773	13.3
203.07021	5.6
205.10263	6.4
205.12254	8.8
206.10968	6.1
207.11707	10.5
209.09662	5.0
209.13260	8.4
211.07558	6.4
211.11194	24.8
213.09373	8.4
213.12762	100.0
214.13086	5.3
215.10698	7.9
217.08386	5.1
217.10242	6.0
219.11751	13.0
220.12450	7.2
221.13249	9.8
223.11244	9.2
225.09059	6.2
229.12270	13.5
230.10904	8.2
231.11708	11.9
231.13861	9.1
232.12389	6.3
233.13403	8.2
235.11130	8.2
239.10693	6.0
241.10164	5.2
241.12263	15.3
242.10791	7.2
243.11684	14.8
243.13840	22.3
245.13235	9.9
245.15407	47.7
247.11147	9.6
251.10670	5.5
254.10928	4.7
255.11714	9.5
255.13922	10.8
256.12411	8.8
257.13254	12.1
258.14069	11.7
259.11032	6.7
259.15204	5.1
260.11902	5.7
261.12650	5.8
269.13336	23.3
270.14011	19.7
271.14749	13.5
272.15436	6.5
273.14899	43.2
274.13452	5.3
275.10590	4.3
275.14334	4.3
275.17853	5.6
281.13266	7.8
282.10342	5.2
282.14029	5.4
283.11343	6.1
283.14859	8.1
284.12436	5.0
284.15576	11.2
285.12875	6.5
285.16299	17.0
286.13403	5.6
286.16943	6.1
287.14221	8.9
287.17725	5.5
289.14395	4.1
295.14777	4.4
297.12793	12.3
298.13431	11.1
299.14294	6.8
300.15164	7.1
301.12399	7.3
301.15845	10.1
303.13947	7.2
303.17355	9.8
312.15042	8.7
313.15814	18.5
315.13904	6.6
315.17151	8.6
317.15311	8.8
325.12195	8.0
326.13052	5.4
327.17386	18.9
329.15430	12.9
331.16931	26.9
340.14691	5.2
341.15173	22.9
343.13168	7.4
343.16962	10.1
345.14923	4.0
345.18497	25.5
347.16220	9.1
349.17706	11.8
355.16852	26.6
359.16333	26.6
360.17108	4.3
361.14215	8.8
363.19656	5.8
371.16339	6.5
373.18005	52.7
377.17392	13.0
383.16412	14.3
387.19531	5.5
389.17245	5.8
391.18982	21.0
401.17401	43.6
403.19055	10.1
405.20636	23.6
415.18872	20.9
419.18323	23.4
421.20395	7.4
423.21710	16.5
433.20148	72.2
451.21255	49.8
479.20663	11.9
493.22244	8.8
501.22906	4.2
511.23096	16.2
657.31659	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	657.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.9
55.01854	9.7
55.05500	23.4
65.93711	6.9
67.05485	19.4
69.03429	58.3
79.05481	30.0
81.03415	11.5
81.07048	19.8
83.04976	22.3
91.05466	59.8
93.07040	35.0
95.04966	16.9
95.08604	24.3
103.05438	15.9
105.07045	56.5
107.04956	13.2
107.08591	22.4
109.06499	14.6
109.10126	6.9
115.03825	8.7
115.05457	15.3
117.07001	27.4
119.04949	7.5
119.08567	42.6
121.06509	12.5
121.10141	12.0
123.08100	7.3
128.06221	13.0
129.07001	19.7
129.53958	6.2
130.07738	7.6
131.04939	29.4
131.08595	40.5
133.06483	27.0
133.10106	43.8
135.08040	22.6
141.07072	10.9
141.40993	6.3
142.07785	18.1
143.08524	36.8
145.06477	18.7
145.10126	29.9
147.08081	38.6
147.11679	7.9
149.06026	9.3
149.09593	18.5
151.07524	7.7
153.06969	11.0
154.07726	8.0
155.08568	29.1
156.09299	28.8
157.06496	9.1
157.10130	53.6
159.08066	20.4
159.11687	14.0
161.05994	39.0
161.09608	23.0
163.07518	14.9
163.11192	12.9
165.06918	12.6
169.10136	31.2
170.10938	21.4
171.08029	34.8
171.11684	90.2
173.05948	12.3
173.09650	33.5
175.07617	18.9
175.11110	12.8
177.05464	19.1
179.07011	20.9
179.08600	12.6
183.08084	7.2
183.11697	82.8
184.12256	8.3
185.09616	36.2
185.13281	64.2
187.07526	11.3
187.11140	9.4
189.05487	9.9
192.09250	7.2
193.06302	6.4
193.08528	11.3
193.10156	15.7
195.11699	30.0
195.13387	6.7
197.09615	23.8
197.13234	19.2
199.11139	26.7
201.09077	17.3
201.12755	16.1
203.10724	7.6
205.12251	14.2
206.10938	11.1
207.11710	22.5
208.12338	7.8
209.09785	8.7
209.13342	12.0
210.10329	7.1
211.11140	22.7
213.09155	13.0
213.12706	72.6
215.10652	7.5
217.10211	9.7
217.12233	9.1
219.11717	16.9
221.13300	9.5
223.11137	12.9
225.12785	8.5
229.12245	17.6
229.14343	7.1
231.11740	19.7
232.12439	18.1
233.13333	9.8
234.13962	10.9
235.11275	8.1
237.12708	10.9
241.12219	15.5
243.11620	21.8
243.13834	36.1
244.12524	11.8
245.13531	13.9
245.15454	32.5
246.14090	8.3
249.16429	11.0
256.12622	10.9
257.13196	23.4
258.14072	14.3
259.14832	26.3
259.69891	6.9
261.12714	17.4
263.14124	6.9
269.13214	10.1
270.14032	14.8
271.14777	17.2
273.14966	24.9
283.14499	8.1
285.12784	10.6
285.16348	22.1
286.13544	10.8
287.14307	14.1
288.15012	8.3
289.11557	6.3
289.15692	12.3
291.17389	10.4
298.13535	10.2
299.14206	11.4
301.15891	14.0
303.17285	13.7
313.15778	27.6
315.17355	9.7
316.14386	7.7
317.18906	7.7
319.16766	9.1
327.17395	14.8
331.16806	40.0
333.18604	7.8
341.15402	8.8
345.18414	26.4
347.16315	17.3
349.17834	23.0
355.16705	11.2
359.16397	38.8
361.17709	10.3
363.19629	14.0
373.17972	61.4
375.19702	16.7
377.17444	32.2
387.19412	8.7
389.17029	11.7
391.18762	43.5
401.17490	23.5
403.19064	10.8
405.20486	24.2
415.19046	25.4
419.18399	34.8
421.19751	20.1
423.21555	20.4
433.20145	75.9
445.19968	8.4
451.21152	100.0
469.22229	10.5
493.22217	13.7
505.22379	8.7
511.23154	23.9
519.23499	9.7
537.24884	14.0
553.24426	9.9
597.27002	13.3
657.26862	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	657.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
53.41353	1.7
55.01861	4.4
55.05514	61.5
59.99346	1.5
65.03943	2.2
67.05516	7.6
68.53358	1.3
69.03419	6.9
69.07056	6.3
71.01350	1.4
79.05496	8.0
81.03416	4.5
81.07050	5.5
83.04984	100.0
85.02897	3.5
91.05489	17.0
93.07050	10.0
95.04977	8.4
95.08610	8.4
97.06535	1.8
98.21570	2.5
101.02365	1.6
103.05458	8.6
105.03375	5.0
105.04501	1.6
105.07021	17.1
107.04945	5.5
107.08611	8.6
109.02887	1.6
109.06513	4.3
109.10192	2.2
111.04438	2.4
115.05448	5.5
117.07032	10.6
119.04919	3.7
119.08586	21.6
121.06503	5.7
121.10151	7.3
123.04427	4.2
123.08087	3.0
126.05548	2.3
127.03875	1.6
128.06219	5.6
129.06993	5.3
130.07780	2.0
131.04948	13.0
131.08572	11.8
131.15402	1.4
132.05278	1.9
133.06512	9.6
133.10147	13.2
135.08044	6.4
140.07059	3.1
141.06973	5.1
142.07782	5.5
143.08566	9.9
145.06523	8.0
145.10117	11.0
147.08069	16.0
147.11722	2.1
149.05995	3.1
149.09616	5.6
151.07530	2.5
153.07008	2.4
155.08553	8.1
156.09344	6.9
157.06483	3.3
157.10158	16.6
159.04541	1.6
159.08038	12.1
159.11690	5.8
161.06021	10.5
161.09598	11.4
163.07492	3.0
165.06920	2.7
165.09132	4.3
166.07805	2.3
167.08592	3.3
168.09334	2.2
169.10132	14.3
170.10852	5.9
171.08081	9.1
171.11687	30.3
172.08847	3.5
172.12038	1.9
173.06013	4.2
173.09647	12.0
173.13298	2.4
174.10020	1.8
175.07520	4.3
175.11281	2.5
177.05443	3.3
177.09125	3.5
179.07037	1.6
179.08528	2.5
180.09331	2.2
181.10121	5.0
183.08046	2.9
183.11708	21.1
184.08813	2.4
184.12201	2.2
185.09711	8.8
185.13258	19.6
186.13733	3.1
187.11172	5.2
189.05453	4.3
189.09135	4.5
189.11005	1.4
189.12811	2.0
191.10695	3.3
192.09236	2.7
193.10141	4.2
195.07991	3.0
195.11694	7.8
197.09610	6.4
197.13277	3.7
198.10339	2.4
199.07523	2.0
199.11197	18.7
200.11769	3.8
201.09027	3.2
201.12689	2.2
205.10201	2.4
206.10977	2.7
207.11673	6.4
209.09590	4.8
209.13200	4.5
211.07510	3.2
211.11143	6.0
213.09102	4.2
213.12733	14.2
214.13132	3.0
215.10641	4.0
217.10271	3.5
217.12112	4.0
219.09879	2.6
219.11763	4.1
220.12448	3.9
221.13196	4.0
222.13765	2.0
223.11157	5.3
225.09047	4.4
225.12740	4.5
226.09875	2.9
227.10817	2.3
229.10271	2.6
229.12292	4.9
230.10884	3.6
231.11655	4.2
231.13861	6.6
232.12393	4.2
233.09659	2.5
233.13219	5.0
234.10388	2.3
234.14009	2.3
235.11157	2.9
235.14792	3.2
237.12650	4.8
239.10815	1.8
241.10068	1.6
241.12241	3.8
243.09756	2.0
243.11836	3.2
243.13913	3.3
244.12440	3.5
245.13179	4.8
245.15421	5.0
246.14105	1.9
247.11166	4.6
247.14784	6.5
248.12022	2.7
249.12601	3.0
249.16364	4.5
251.14368	4.9
253.12370	2.8
255.11592	2.1
256.12509	1.6
258.13995	2.9
259.10962	2.9
259.13422	7.6
261.12741	2.9
261.16409	6.2
262.13480	3.6
263.14359	6.3
265.15689	1.6
266.12961	1.5
267.13828	1.9
269.13037	2.0
270.14127	2.7
271.11081	2.5
271.14719	4.6
272.11871	2.7
272.15643	2.1
273.12521	3.6
273.16501	1.6
274.13312	3.5
275.14316	5.4
275.17984	6.8
276.15244	2.6
277.12213	2.1
277.15848	2.4
279.17435	1.9
281.15384	3.1
283.11176	2.0
284.11725	2.3
285.16257	2.8
287.14191	7.7
287.17221	2.0
288.14963	3.5
289.15793	4.6
290.16605	5.6
291.17328	4.5
296.15631	2.1
299.14310	3.6
299.17767	2.2
301.15894	2.2
302.16574	3.3
303.13849	2.2
303.17352	6.8
312.15125	2.0
313.12231	2.6
313.15909	4.3
317.15121	3.3
319.16577	2.5
320.17834	2.4
321.18222	7.7
327.17303	3.0
329.15219	2.4
329.18936	1.9
331.16956	8.6
343.16934	5.7
345.18420	5.3
349.17859	4.9
355.16754	3.1
357.18484	2.4
359.16235	6.0
360.17090	2.0
361.17917	4.2
363.19522	5.3
371.16278	1.9
373.18021	10.8
377.17328	7.9
379.15372	4.6
383.16040	2.6
387.19455	1.8
389.17514	6.8
391.19193	8.2
401.17371	5.6
403.18839	2.1
405.20581	4.4
407.18512	2.3
409.19937	6.2
417.20798	2.6
419.18427	24.3
433.19778	3.9
437.19604	36.0
438.19824	2.8
451.20895	5.2
455.20261	3.5
479.20612	2.5
497.21729	12.2
515.08875	1.8
515.22748	5.8
519.23993	2.9
529.24023	2.0
539.22620	2.9
657.33734	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	657.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
55.01862	10.4
55.05513	19.4
57.03420	4.5
57.90051	3.2
61.17717	2.6
64.79881	2.8
65.03898	3.7
67.05508	17.0
67.98371	2.8
69.03432	42.0
69.07069	4.3
69.19335	31.6
71.05000	5.1
79.05490	33.5
81.03428	13.9
81.07060	19.0
83.04999	18.0
85.02889	4.4
85.06551	3.3
91.05482	38.6
92.84525	2.4
93.07052	36.1
95.04976	24.5
95.08604	30.1
97.02898	4.8
98.20786	7.2
103.05461	12.8
105.03349	4.1
105.07031	60.9
107.04948	9.1
107.08582	19.1
109.06506	12.6
109.10142	7.8
111.08102	3.1
115.05449	9.9
117.07008	29.7
119.04924	4.6
119.08584	41.6
121.06493	11.1
121.10139	11.6
123.08076	12.1
128.06241	8.1
129.07014	20.8
129.96973	2.6
130.07773	3.7
131.04929	13.2
131.08578	34.5
133.06523	29.9
133.10143	34.2
135.08052	17.7
137.06001	3.3
137.09618	6.6
141.06938	9.8
142.07802	15.9
143.08566	27.9
144.05682	2.6
144.09418	2.9
145.06462	16.7
145.10126	31.8
147.08038	24.0
147.11702	6.0
149.06007	7.1
149.09613	31.8
150.06757	18.4
151.07512	12.2
153.07007	5.7
155.08578	20.5
156.09358	30.0
157.06444	3.3
157.10132	50.9
159.08084	19.5
159.11696	13.4
161.06015	18.9
161.09575	20.4
163.07503	6.0
163.11189	11.5
165.07001	8.1
166.07773	3.9
167.08560	8.8
168.09343	6.1
169.10127	38.7
170.10939	23.8
171.08090	14.5
171.10260	5.7
171.11697	100.0
172.08768	3.8
173.05923	4.2
173.09615	30.6
173.13239	7.3
175.07539	10.6
175.11166	8.1
177.05511	7.0
177.09142	5.7
179.07031	44.2
179.08559	11.5
180.09331	5.8
181.10127	12.2
183.08076	10.1
183.11696	86.3
184.12335	4.8
185.05809	3.0
185.09688	18.2
185.13258	84.8
187.07581	3.9
187.11137	13.2
187.14764	3.7
189.05432	6.2
189.09004	4.6
192.09309	6.6
193.10104	15.0
194.10870	8.1
195.08105	5.0
195.11700	24.1
197.09619	18.8
197.13226	20.6
198.10417	4.1
199.07533	5.1
199.11169	32.0
200.11925	4.5
201.09151	6.2
201.12708	9.9
202.12978	3.2
203.10652	4.8
204.09325	4.0
205.10228	7.0
205.12222	6.1
206.10883	11.4
207.06435	3.4
207.11699	20.8
208.12587	4.1
209.09657	6.7
209.13249	14.1
211.11198	20.6
213.09138	6.7
213.12723	62.9
215.08582	6.0
215.10664	6.4
215.14259	3.8
216.09433	3.3
217.10069	9.5
217.12172	7.4
218.10904	7.3
219.11728	9.5
220.12431	8.1
221.09769	4.0
221.13338	21.4
222.14125	3.4
223.11172	11.0
223.14705	5.4
225.12691	7.1
227.10631	6.1
229.10109	7.4
229.12244	13.6
230.10863	5.6
231.11656	14.8
231.13805	9.2
232.12373	9.8
233.13301	17.4
233.15205	4.5
234.14046	7.9
235.11189	5.1
235.14856	11.8
237.12718	8.3
237.16370	4.6
239.14200	3.6
241.12288	13.9
242.10730	3.4
243.11612	20.8
243.13829	27.9
244.12456	13.4
245.09712	4.8
245.13199	15.6
245.15382	56.7
246.10370	3.1
246.13986	8.4
247.11084	6.2
247.15114	14.8
248.11946	4.2
248.15536	7.6
249.12769	7.8
249.16336	12.7
251.14279	7.2
254.10802	3.6
255.11530	6.3
255.13843	11.9
256.12518	4.5
257.13242	12.1
257.15616	4.8
258.14035	16.5
259.15106	23.8
260.11954	5.9
260.15598	9.4
261.12741	7.4
261.16351	6.5
262.13730	3.4
262.17218	3.3
263.14417	5.8
263.18088	5.0
267.13962	4.2
269.13150	5.5
270.13998	9.8
271.15079	5.7
272.12183	5.1
272.15439	6.9
273.12341	6.7
273.14600	28.6
273.16858	4.0
274.13510	3.9
275.14264	11.2
275.17911	7.3
276.14948	4.0
277.12155	2.9
277.15866	11.1
283.11124	7.0
283.14319	3.7
284.15530	4.0
285.12860	8.5
285.16370	12.8
286.13773	6.9
286.16794	4.0
287.14188	7.8
288.15018	7.2
289.15930	5.9
291.17477	3.8
293.15274	5.4
297.12576	5.4
298.13068	3.7
299.14294	9.2
299.17981	8.9
300.15015	7.1
301.12476	4.8
301.15884	12.8
303.14029	3.6
303.17343	14.6
305.15268	3.3
305.18927	7.0
312.14941	4.0
313.15799	11.8
314.16605	4.2
315.13864	4.6
315.17377	11.8
317.15298	7.2
317.18958	11.3
319.16974	6.0
321.18530	6.9
325.12219	3.7
327.17502	14.5
329.15375	5.3
329.19043	6.3
331.17014	20.4
332.17407	3.7
333.18237	5.2
335.20114	5.5
343.16858	7.2
345.18442	23.6
347.16165	6.5
349.17905	21.3
351.19699	7.1
355.16812	12.5
357.18475	4.0
359.16388	23.1
361.18063	7.6
363.19507	20.9
373.18008	30.8
375.19601	5.5
377.17242	12.6
377.21259	13.3
387.19580	8.9
391.18997	31.6
395.22284	8.3
401.17447	17.0
403.18875	4.7
405.20627	35.9
407.21899	3.9
419.18506	24.6
423.21576	35.6
433.20334	27.9
437.19299	5.2
441.22110	4.8
451.21259	32.9
459.27695	4.7
460.27628	10.9
465.22638	5.5
469.21790	4.5
479.20074	4.0
483.23535	8.0
511.23349	7.2
569.28052	4.2
639.27441	6.6
657.25110	4.7
657.34711	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	657.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23330	1.9
53.03950	3.2
55.01884	4.2
55.05514	66.5
56.05847	2.7
57.07066	2.8
57.92220	1.7
67.05496	7.8
69.03445	2.4
69.07068	5.3
69.19833	3.2
69.20240	15.7
79.05499	12.9
81.03425	2.1
81.07076	8.8
83.04989	100.0
84.05305	2.7
85.02899	2.6
91.05479	19.9
93.07059	12.4
94.98308	1.9
95.04977	8.0
95.08590	5.4
97.06541	2.2
97.10174	3.3
97.89240	1.9
98.20808	4.7
103.05471	4.6
105.07040	19.8
107.04988	3.9
107.08618	11.9
109.06521	3.7
109.10147	2.7
115.05478	5.2
117.07016	13.3
119.04966	2.6
119.08600	22.8
121.06493	5.4
121.10123	5.3
123.04482	1.9
123.08096	3.7
125.06018	2.4
125.09620	3.9
128.06241	4.1
129.07037	8.9
131.04886	4.0
131.08591	12.8
133.06487	10.1
133.10139	15.0
135.08034	10.6
141.07031	3.7
142.07718	4.3
143.08556	13.5
145.02905	2.6
145.06473	5.8
145.10123	11.4
147.08047	12.8
149.05966	4.5
149.09659	7.4
151.07529	3.4
153.06985	3.8
155.08572	5.7
156.09373	9.3
157.06462	1.8
157.10133	18.8
158.07225	2.8
159.08083	9.0
159.11711	7.0
161.06020	9.4
161.09685	9.6
163.07542	2.6
165.06998	2.0
165.09166	2.9
169.05072	2.6
169.08884	1.8
169.10107	11.2
170.10896	4.5
171.08049	8.1
171.11703	31.4
173.06047	3.2
173.09639	8.4
175.07535	5.0
175.11137	2.4
177.05460	6.7
177.09155	4.1
179.07074	3.6
179.08574	3.4
181.10197	4.0
183.08049	3.6
183.11700	21.8
184.08813	2.5
185.09653	9.3
185.13287	14.3
187.07677	2.4
187.11198	4.1
187.14969	2.5
189.09138	2.8
191.10693	3.1
193.10176	3.2
194.10878	2.4
195.11700	7.9
197.09613	6.0
197.13341	8.8
198.10352	2.3
199.07530	2.2
199.11180	22.8
201.09169	3.1
201.12723	3.7
203.10710	2.2
206.10924	3.0
207.11736	3.8
208.08746	2.3
209.09587	3.2
209.13315	3.1
210.10376	2.3
211.07507	2.0
211.11227	5.2
213.09181	3.9
213.12726	15.7
215.10709	6.1
215.14272	4.4
216.14735	2.5
216.51974	2.3
217.08571	3.8
217.10364	2.9
217.12170	3.2
219.11728	4.9
220.12489	3.0
221.09653	3.5
221.13368	3.6
223.11186	7.0
223.14806	3.6
225.09100	3.4
225.12781	4.7
227.10696	2.6
227.12625	3.1
229.12218	6.8
230.11023	3.2
231.09854	2.8
231.11893	3.4
231.13872	8.3
232.12494	2.9
233.13307	5.2
234.13927	2.8
235.11304	2.7
235.14778	4.3
236.11879	2.7
237.09090	2.5
237.12845	2.9
241.08496	2.8
241.12183	4.5
243.11729	3.6
243.13757	4.0
244.12451	5.9
245.13358	3.8
245.15501	3.6
246.14085	4.5
247.11057	2.7
247.14886	4.9
248.15739	2.0
249.12550	3.8
249.16525	3.4
251.14301	8.3
256.12762	1.9
257.13504	3.1
258.14069	4.7
259.11029	2.7
259.13358	7.8
260.11740	2.8
260.15701	3.3
261.12814	4.4
261.16385	4.6
263.14365	6.2
263.17444	2.2
271.14764	1.9
273.16324	5.6
275.14377	2.2
275.17908	4.1
277.15799	2.9
279.13879	3.2
281.15558	4.8
285.12704	4.8
285.16119	3.4
286.13458	3.8
287.14386	4.4
289.15948	4.6
291.17590	3.7
293.19040	1.9
299.14212	3.0
301.15906	5.1
302.16666	2.8
303.13950	2.1
303.17490	5.4
305.15341	3.1
305.18869	2.1
313.16043	4.6
315.13760	3.6
315.17294	3.4
317.15244	5.9
317.18903	3.7
319.16687	3.6
327.17450	4.1
329.15329	3.1
329.18948	2.8
331.16940	7.5
333.14584	2.5
333.18369	3.2
335.16357	2.6
335.19968	2.2
337.18106	2.7
343.16901	4.0
345.14700	3.1
345.18259	9.3
347.16400	5.1
347.20203	2.6
349.17950	5.6
355.17035	3.5
357.18417	5.3
359.16333	5.2
360.17157	3.1
361.17908	4.6
363.19528	8.2
373.18030	10.7
375.19635	4.9
377.17468	6.6
379.15347	5.2
381.20520	5.3
383.16473	2.8
385.23285	2.3
389.17322	2.2
391.19122	18.5
393.20450	2.8
401.17426	8.0
407.18521	4.1
409.20163	12.9
419.18536	40.1
437.19583	42.6
442.26654	7.4
455.20401	4.4
459.27347	6.1
460.27740	17.6
477.28696	3.0
479.20624	6.3
497.21680	16.4
515.22638	4.1
529.23987	2.2
539.22687	2.6
557.23749	2.7
599.28125	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	657.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.9
55.05500	14.7
62.84068	3.6
67.05508	5.7
69.03430	31.5
69.07062	9.1
79.05471	15.6
81.07063	4.7
83.04985	20.5
85.06544	4.3
91.05477	35.8
93.07034	14.7
95.08597	9.9
96.05401	3.7
97.06539	4.5
100.93783	4.3
103.05462	10.6
105.07038	59.3
107.08597	12.1
108.45223	4.1
109.06497	7.1
115.05459	18.3
116.06245	5.4
117.07029	30.1
119.07936	4.1
119.08604	51.1
121.06509	10.4
121.10155	5.8
128.06236	14.0
129.07007	16.1
131.04941	6.3
131.08572	32.4
133.06476	23.7
133.10144	24.3
135.04471	4.3
135.08073	9.9
135.45831	4.1
142.07742	14.4
143.08565	30.5
145.06465	15.2
145.10147	30.1
147.08060	30.5
149.09598	11.7
149.42656	4.1
153.06998	8.9
154.07808	6.2
155.08551	15.8
156.09370	27.8
157.06511	7.3
157.09154	4.3
157.10138	54.1
159.08046	18.9
159.11699	12.8
161.05992	46.5
161.09639	11.8
163.07521	15.6
163.11159	13.4
165.07034	8.7
166.07779	4.3
167.08513	8.1
169.10118	27.7
170.10896	26.2
171.08095	20.7
171.11688	100.0
173.06010	14.9
173.09595	27.7
173.13245	8.2
175.07559	23.5
175.11174	5.8
177.05492	8.7
177.09090	12.6
179.07079	8.7
179.08534	6.0
181.10170	12.6
182.10957	4.0
183.08075	12.3
183.11702	78.2
185.09715	18.8
185.13283	72.2
187.07507	11.1
187.11212	17.5
189.05499	15.1
189.09081	5.0
189.12813	5.0
191.06943	5.6
191.10596	8.7
193.08588	5.4
193.10132	9.0
195.08084	6.5
195.11687	20.3
196.12383	5.3
197.09621	13.8
197.13261	20.6
198.10376	5.8
199.07483	9.7
199.11206	33.9
200.12090	4.5
201.09038	5.2
201.12698	8.8
203.10762	7.0
205.12248	9.4
207.11754	9.1
209.13240	6.7
211.11212	20.2
213.09113	9.3
213.12746	83.8
214.13043	4.9
215.10645	5.0
216.09259	5.1
217.12212	6.4
219.11771	6.4
220.12383	5.6
221.13245	9.9
223.11223	12.0
225.09035	4.9
225.12732	4.6
227.10619	9.0
229.10121	10.1
229.12268	17.3
229.21730	5.3
230.10899	6.0
231.09906	5.8
231.11862	6.8
231.13803	10.4
232.12445	5.3
233.13469	4.8
235.11121	5.3
235.14806	9.5
239.10724	7.5
241.10130	5.0
241.12231	15.3
242.10886	5.6
243.11652	14.6
243.13779	19.1
244.12425	8.6
245.13216	14.3
245.15390	43.7
247.14873	5.9
254.10867	4.8
255.11624	12.6
255.13860	14.3
256.12421	9.4
257.13208	16.1
258.14014	14.8
259.15045	7.4
260.11819	6.1
261.12643	11.1
267.11615	5.2
268.12347	6.2
269.13254	15.0
270.13977	17.0
271.10916	5.4
271.14740	13.7
272.15613	10.5
273.12442	5.4
273.14838	31.1
275.14203	5.6
277.12057	4.6
283.11298	5.6
283.14853	8.3
284.12012	4.8
284.15555	6.6
285.16293	15.3
297.12738	15.1
297.16193	5.1
298.13541	7.8
299.14185	13.2
299.17679	6.2
301.15839	5.2
309.16409	6.2
311.14191	5.4
312.11340	4.5
312.14938	9.2
313.12259	4.8
313.15753	17.6
315.13782	10.7
315.17242	6.6
316.14459	6.5
317.18845	6.8
319.16898	5.0
325.12308	6.1
327.13956	4.5
327.17389	18.6
329.15277	14.3
330.16034	4.4
331.16806	27.2
333.17346	4.3
340.14886	5.1
341.15182	19.6
343.13150	7.5
343.17032	11.0
345.18463	19.3
347.16364	9.3
349.17972	11.4
355.16837	31.6
359.16379	28.8
359.20224	4.9
361.14136	5.6
363.19431	8.3
371.16525	6.6
373.17953	55.5
377.17404	10.8
383.16278	18.0
387.19705	10.6
389.17548	4.9
391.18973	20.6
401.17529	46.6
403.19196	6.8
405.20499	19.3
415.18954	18.4
419.18500	25.1
421.20145	5.1
423.21619	13.7
433.20148	69.2
451.21216	50.7
493.22107	9.5
511.22989	13.4
521.21588	4.8
630.69928	4.2
657.31885	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	657.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56948	1.6
53.03935	5.9
55.05514	61.7
55.31693	1.7
67.05505	6.1
69.03424	3.0
69.07059	4.0
76.87637	1.7
79.05491	5.0
79.14632	1.6
81.03417	4.1
81.07051	5.9
83.04985	100.0
85.02934	1.6
91.05473	11.2
93.07043	6.6
95.04955	3.1
95.08597	4.7
98.20693	4.0
103.05457	3.3
105.03426	2.4
105.07049	13.6
107.04968	1.9
107.08607	6.2
109.10140	1.7
111.08019	1.7
115.05442	3.6
117.07008	7.9
119.04964	2.1
119.08591	15.7
121.06510	4.8
121.10153	4.4
125.05951	1.6
128.06190	2.6
129.06992	3.6
131.04887	4.9
131.08597	8.6
133.06502	9.4
133.10129	8.3
135.08054	4.3
137.01205	1.8
140.44839	1.7
142.07732	3.3
143.08559	10.6
145.06479	6.3
145.10089	7.0
146.07278	2.5
147.08035	13.1
147.11649	2.1
149.05991	3.5
149.09639	4.7
153.06975	1.8
155.08562	6.8
156.09343	7.1
157.06494	1.7
157.10201	13.0
159.08061	6.1
159.11679	4.2
161.05969	7.0
161.09598	7.0
163.07594	2.4
165.07036	2.5
165.09085	2.3
167.08583	2.3
169.10208	9.8
170.11015	3.0
171.08087	4.6
171.11667	19.4
173.05966	4.7
173.09628	9.8
175.07602	3.8
177.05464	4.7
179.08539	2.4
181.10132	4.4
181.86310	1.7
183.08105	3.6
183.11728	16.5
185.09666	4.4
185.13228	13.1
187.11188	6.2
189.05431	2.7
193.10133	4.7
194.10880	2.5
195.08011	3.5
195.11751	5.0
197.09627	4.8
197.13295	5.4
199.11209	17.3
200.11821	2.8
201.09163	4.0
201.12689	2.5
205.10132	3.0
206.10823	2.2
207.06494	2.0
207.11760	6.6
209.09471	2.1
209.13246	5.5
211.07462	2.9
211.11224	5.2
213.12769	15.5
215.10773	2.9
217.08543	2.5
217.10316	3.0
217.12132	3.5
218.10811	2.2
219.11742	2.7
221.13341	4.5
222.13971	2.4
223.11206	6.8
225.09123	2.5
225.12750	3.1
229.10257	3.3
229.12276	4.7
230.10890	2.9
231.11874	3.4
231.13843	5.4
233.13251	4.4
235.07758	2.0
235.11060	2.6
235.14789	3.9
237.12810	4.5
241.12251	3.3
243.11815	2.4
244.12563	2.8
245.13266	4.3
245.15462	3.7
246.13957	3.1
247.11220	3.8
247.14844	3.1
249.12770	3.6
249.16467	2.7
251.14294	2.6
257.13440	4.1
259.11063	2.7
259.14896	5.4
260.15619	2.8
261.12689	4.2
261.16415	4.8
262.13571	3.3
263.10840	2.0
263.14294	5.7
267.13763	2.7
271.14713	2.5
272.15503	2.3
273.12564	2.6
273.16516	2.4
275.14249	3.2
275.18097	2.9
277.16061	4.2
283.14526	2.2
285.12631	2.9
285.16034	2.2
287.14322	4.4
288.14938	2.1
289.12411	2.2
289.15652	5.1
291.17374	4.3
293.18970	3.4
297.12900	2.1
299.14221	2.6
300.15009	2.3
301.15884	3.3
302.16599	2.5
303.14087	2.1
303.17377	7.3
305.15421	2.1
313.16013	3.4
315.17224	3.1
317.15610	2.5
317.19052	2.5
320.17792	3.4
321.18542	4.5
326.89511	2.1
331.16940	4.9
343.16861	3.8
345.18689	4.4
347.16428	4.5
349.17963	2.1
357.18060	2.5
359.16360	6.6
359.40735	1.8
361.17889	3.2
363.19446	4.0
371.15967	2.0
373.17969	8.1
377.17566	6.4
379.15155	3.9
381.20868	2.0
387.20175	2.0
389.17432	4.6
391.18985	8.2
393.20258	3.7
401.17477	9.2
407.18417	5.2
409.19928	5.4
419.18515	29.1
435.21689	4.4
437.19604	44.5
451.21234	2.2
455.20963	10.1
479.20670	8.0
497.21741	24.0
515.22528	5.8
539.22754	3.4
615.27527	2.8
657.26904	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	657.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
55.01869	6.4
55.05511	22.6
55.76551	3.2
62.19979	4.3
67.05497	8.6
69.03431	32.3
69.07084	6.3
79.05492	15.6
81.07062	8.2
83.04974	26.0
91.05492	37.1
93.07037	17.0
95.04978	8.5
95.08618	8.3
103.05469	14.0
105.07036	61.4
107.08606	8.8
109.06510	3.8
115.05484	21.3
117.07012	27.4
119.08593	54.8
120.79908	3.3
121.06551	8.2
128.06242	14.9
129.06985	21.3
130.07796	6.8
131.04933	5.6
131.08595	29.2
133.06483	28.3
133.10115	26.3
135.08064	5.1
141.06967	9.0
142.07767	19.0
143.08560	33.1
145.06508	13.5
145.10121	28.1
147.08072	26.1
147.11714	5.2
149.06010	5.5
149.09622	14.9
153.07016	6.4
154.07736	5.6
155.08600	17.5
156.09303	22.3
157.06575	4.6
157.10146	48.7
159.04419	7.9
159.08102	19.4
159.11708	10.8
161.05969	43.9
161.09647	15.7
163.07536	8.0
163.11151	4.9
165.07027	8.8
165.09129	4.8
166.07791	3.7
167.08530	6.5
168.09297	7.2
169.06551	4.4
169.10155	37.6
170.10924	25.9
171.08025	18.5
171.11696	94.2
173.06029	9.0
173.09619	26.7
173.13229	7.3
175.07594	26.4
175.11246	4.9
177.05466	6.8
177.09123	11.7
179.07037	8.5
179.08530	6.5
180.09370	5.9
181.10136	14.6
182.10822	4.3
183.08058	7.9
183.11687	75.5
184.08878	5.0
184.12335	6.0
185.09615	19.6
185.13261	77.7
187.03891	4.7
187.07608	7.9
187.11220	13.9
189.05455	17.7
189.09091	5.1
191.08604	3.7
192.09305	4.2
193.08594	7.7
193.10214	9.6
194.10913	6.1
195.11763	17.0
197.09586	17.8
197.13254	18.8
198.10292	5.1
199.07510	8.3
199.11157	42.5
200.11906	5.0
201.12773	13.3
203.07021	5.6
205.10263	6.4
205.12254	8.8
206.10968	6.1
207.11707	10.5
209.09662	5.0
209.13260	8.4
211.07558	6.4
211.11194	24.8
213.09373	8.4
213.12762	100.0
214.13086	5.3
215.10698	7.9
217.08386	5.1
217.10242	6.0
219.11751	13.0
220.12450	7.2
221.13249	9.8
223.11244	9.2
225.09059	6.2
229.12270	13.5
230.10904	8.2
231.11708	11.9
231.13861	9.1
232.12389	6.3
233.13403	8.2
235.11130	8.2
239.10693	6.0
241.10164	5.2
241.12263	15.3
242.10791	7.2
243.11684	14.8
243.13840	22.3
245.13235	9.9
245.15407	47.7
247.11147	9.6
251.10670	5.5
254.10928	4.7
255.11714	9.5
255.13922	10.8
256.12411	8.8
257.13254	12.1
258.14069	11.7
259.11032	6.7
259.15204	5.1
260.11902	5.7
261.12650	5.8
269.13336	23.3
270.14011	19.7
271.14749	13.5
272.15436	6.5
273.14899	43.2
274.13452	5.3
275.10590	4.3
275.14334	4.3
275.17853	5.6
281.13266	7.8
282.10342	5.2
282.14029	5.4
283.11343	6.1
283.14859	8.1
284.12436	5.0
284.15576	11.2
285.12875	6.5
285.16299	17.0
286.13403	5.6
286.16943	6.1
287.14221	8.9
287.17725	5.5
289.14395	4.1
295.14777	4.4
297.12793	12.3
298.13431	11.1
299.14294	6.8
300.15164	7.1
301.12399	7.3
301.15845	10.1
303.13947	7.2
303.17355	9.8
312.15042	8.7
313.15814	18.5
315.13904	6.6
315.17151	8.6
317.15311	8.8
325.12195	8.0
326.13052	5.4
327.17386	18.9
329.15430	12.9
331.16931	26.9
340.14691	5.2
341.15173	22.9
343.13168	7.4
343.16962	10.1
345.14923	4.0
345.18497	25.5
347.16220	9.1
349.17706	11.8
355.16852	26.6
359.16333	26.6
360.17108	4.3
361.14215	8.8
363.19656	5.8
371.16339	6.5
373.18005	52.7
377.17392	13.0
383.16412	14.3
387.19531	5.5
389.17245	5.8
391.18982	21.0
401.17401	43.6
403.19055	10.1
405.20636	23.6
415.18872	20.9
419.18323	23.4
421.20395	7.4
423.21710	16.5
433.20148	72.2
451.21255	49.8
479.20663	11.9
493.22244	8.8
501.22906	4.2
511.23096	16.2
657.31659	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	657.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02414	4.4
53.03930	10.9
55.01870	14.4
55.05506	22.4
60.50405	6.4
60.94828	6.1
67.05521	25.6
69.00927	6.2
69.03432	47.4
69.07069	11.0
72.08161	42.7
74.09728	13.1
79.05502	35.8
81.03412	24.9
81.07062	24.6
83.04989	22.2
83.08662	6.0
85.02917	11.6
91.05498	48.4
91.66322	4.6
93.07050	36.0
95.01347	27.6
95.04963	21.0
95.08614	13.6
96.31688	4.9
98.20679	9.6
103.05482	49.5
105.03400	7.2
105.07041	47.1
107.04964	9.0
107.08603	10.9
109.02841	6.2
109.06553	11.3
109.10172	18.9
111.04485	5.1
111.08095	7.4
115.05447	9.1
117.07047	28.6
119.04978	12.3
119.08588	39.3
121.06522	22.7
121.10178	8.8
123.08095	8.5
125.09644	6.6
128.06221	17.8
129.06992	26.1
131.04942	100.0
131.08574	25.9
133.06482	36.5
133.10136	28.7
135.08037	13.4
141.06969	11.3
142.07773	18.3
143.08574	32.0
145.06506	17.4
145.10124	19.5
147.08032	23.4
149.05978	12.8
149.09607	9.6
153.06937	7.5
155.08598	24.7
156.09366	27.9
157.06502	7.8
157.10141	50.9
159.08092	31.8
159.11682	16.3
161.06021	60.3
161.09621	19.8
162.06755	21.4
163.07512	15.2
165.06998	13.5
165.09232	8.1
166.07883	6.6
169.06425	6.0
169.10164	37.7
170.09657	5.4
170.10938	38.9
171.08067	25.9
171.11705	82.1
172.08858	14.2
173.06001	16.3
173.09627	27.0
173.13281	8.4
175.07553	6.4
175.11092	7.1
177.05490	21.7
179.08655	8.7
181.10146	11.1
183.08127	12.2
183.11719	71.6
184.08812	10.8
184.12450	10.0
185.09608	24.8
185.13272	62.6
187.07655	6.5
187.11258	10.6
189.05504	13.7
190.06268	17.0
192.09500	6.2
193.10112	13.7
195.11765	22.2
197.09659	15.6
197.13293	19.2
198.10413	9.4
199.07518	10.8
199.11252	37.3
201.09171	10.2
201.12668	13.1
205.12209	6.5
206.10806	7.0
207.11696	13.9
209.09596	13.1
211.11237	25.7
213.09135	15.2
213.12755	75.3
215.08682	6.3
215.10623	6.2
219.11768	9.4
220.12405	6.9
221.13260	7.2
223.11133	13.0
225.12732	9.0
227.10701	15.2
228.07825	12.6
229.12231	13.9
229.14351	10.3
231.11760	9.0
231.13831	14.2
233.13353	7.3
235.11162	8.6
239.10735	10.0
241.12294	12.7
243.13824	16.8
245.11624	8.6
245.15466	16.7
249.12682	9.5
251.10478	6.1
255.13913	10.3
256.12555	6.4
259.11060	8.0
260.11792	6.5
261.12689	8.2
263.14325	10.3
269.13449	8.1
269.17575	6.7
273.15103	28.0
275.14362	8.9
279.13983	5.9
281.12842	6.1
283.11255	7.2
285.12793	10.0
285.16327	10.1
286.13553	11.7
287.14185	11.9
289.16071	10.3
297.12720	10.3
298.13608	7.2
299.14221	10.6
301.15854	13.3
309.12201	6.3
311.14008	9.7
312.14963	7.4
313.15759	16.0
314.16226	6.2
315.13806	12.7
315.17346	10.7
317.15347	9.1
325.15701	9.8
327.17426	11.0
329.15433	7.7
329.18979	6.9
330.16196	18.4
331.16959	14.5
333.17847	6.3
341.15244	13.2
343.13278	6.4
343.16907	18.6
344.17502	7.4
345.18451	16.6
347.16394	7.1
355.16754	9.9
357.18753	9.2
359.16327	16.1
361.17987	8.6
363.20441	5.6
373.17911	23.2
375.19250	6.7
384.17084	9.2
387.19455	11.2
391.18930	8.4
401.17548	13.0
404.19812	7.5
405.20795	11.1
417.20590	12.3
419.18271	12.7
433.20169	13.5
435.21381	5.7
451.21136	8.1
475.21085	9.4
504.21274	5.7
623.28503	8.6
639.28107	16.2
657.27112	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75161	0.6
51.70816	0.7
55.01879	0.9
55.05515	4.7
60.54372	0.6
67.05516	4.1
67.23734	0.6
69.03425	2.2
69.07062	1.1
71.55758	0.7
79.05498	2.5
81.03425	2.8
81.07043	3.8
83.04984	6.8
83.08609	1.1
85.02904	1.1
91.05470	3.2
93.07049	3.1
95.04990	1.6
95.08616	1.9
97.02885	1.0
97.06511	1.2
103.05464	4.4
105.07064	2.7
107.08604	2.2
109.06535	1.6
109.10165	2.0
117.07051	1.6
119.08612	3.3
121.06529	1.1
121.10123	1.4
127.03885	0.9
131.04927	8.8
131.05820	0.8
131.08533	3.0
133.10155	2.5
135.08090	1.5
141.06999	0.8
142.07800	1.0
143.08589	1.4
145.06554	0.7
145.10138	2.0
147.08102	0.9
147.11757	1.0
149.09633	1.0
149.13203	0.7
155.08600	0.9
156.09352	0.8
157.08936	0.6
157.10106	3.4
159.07988	1.3
159.11729	1.7
161.05960	1.6
161.09673	1.6
163.11221	1.0
169.10152	1.5
170.10826	0.9
171.08066	1.2
171.11694	3.7
173.04521	1.0
173.09584	2.3
173.11882	0.7
173.13463	0.7
175.07576	1.0
181.10092	0.7
183.11748	4.0
185.09602	1.9
185.13297	2.1
187.11243	1.0
193.10147	1.3
195.11765	1.5
197.09688	1.1
197.13373	1.4
199.11217	2.2
201.12801	0.9
207.11717	1.6
209.13257	1.3
211.11201	1.4
213.12729	5.5
215.10574	0.9
221.13269	1.0
225.12784	0.7
229.14389	1.5
231.13977	0.9
235.11340	0.9
239.14175	0.7
251.10538	1.9
273.15005	2.0
285.12656	0.7
331.16809	1.3
345.18353	1.2
359.16727	0.8
373.18076	1.5
375.19000	1.0
377.17410	0.9
379.26956	0.7
391.18851	0.9
407.18622	1.0
409.19928	2.5
419.18320	1.1
433.19879	1.5
437.19662	1.4
451.14587	1.5
451.20911	27.8
460.27908	0.8
465.22574	7.9
467.20718	1.6
493.22269	1.2
509.21432	4.9
599.26172	31.0
613.27789	3.3
615.25452	3.8
657.26648	100.0
658.27515	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	656.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.1
53.30090	2.8
55.01873	9.9
55.05517	26.1
57.03446	14.9
57.07082	51.3
64.68961	3.0
67.05176	5.8
67.05508	69.7
67.74516	3.2
69.06730	5.4
69.07075	70.8
71.05004	27.9
71.08637	42.5
71.55023	3.3
71.55433	3.7
73.02914	6.9
79.05499	59.1
81.03407	8.7
81.07063	73.3
83.04983	18.0
83.08617	20.5
85.06524	3.7
85.10191	25.6
89.06039	4.5
89.74381	3.0
91.04977	3.6
91.05492	38.1
93.07060	45.5
95.04994	16.0
95.08607	63.3
97.05914	5.8
97.06540	100.0
97.10171	8.2
99.08102	5.4
105.07039	27.6
107.04940	9.8
107.08628	20.1
109.06506	10.5
109.10167	25.2
115.07576	42.9
117.07036	22.2
119.08609	19.6
121.06509	6.3
121.10165	18.6
123.08122	4.1
123.11732	9.3
125.09599	5.5
125.10454	3.1
129.07016	9.5
131.08571	20.9
133.06447	3.9
133.10135	18.1
135.08092	7.3
135.11679	6.4
143.08580	9.4
145.10135	10.6
147.08066	5.4
147.11624	5.8
149.09645	7.6
149.13277	6.6
151.11182	3.2
155.08580	4.6
157.10092	6.0
159.11705	11.3
161.09570	5.7
171.11684	3.6
177.12791	8.7
185.13264	3.5
195.13831	5.2
196.50354	3.1
204.38692	2.9
217.15892	12.0
221.15541	3.7
227.17848	4.3
233.15411	3.8
239.23761	6.6
245.18990	6.0
253.14394	8.6
269.17456	11.0
273.18475	27.9
291.19543	17.9
293.10916	3.5
299.22128	4.1
307.19229	4.5
313.24078	6.0
313.27414	85.9
327.25446	3.6
341.27002	4.9
347.22046	5.7
365.23190	12.9
405.21155	3.2
406.02982	3.1
507.40521	58.0
535.39429	4.6
565.38464	3.6
603.46460	16.8
621.46735	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	656.343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18757	7.6
55.01875	9.7
55.05512	63.2
67.05539	8.7
79.05498	14.3
81.03433	15.6
81.07038	8.0
83.04985	100.0
91.05480	16.2
95.04973	8.0
95.08586	8.1
97.75061	6.9
98.21567	12.9
103.05441	11.9
105.07024	17.3
107.04993	9.2
117.07025	20.9
119.08604	27.6
129.07018	11.2
131.08598	17.6
133.06535	9.0
133.10159	10.5
143.08583	12.6
145.06526	19.2
145.10109	17.0
147.08066	38.7
157.10051	19.2
159.08073	21.6
161.06009	11.2
161.09613	36.9
163.07556	21.2
169.10187	13.0
170.10872	8.9
171.08012	12.0
171.11653	41.0
173.09642	9.6
181.10152	12.2
183.11656	26.2
184.12042	10.5
185.09641	12.3
185.13249	32.7
187.11330	9.9
197.13322	10.1
199.11179	14.3
204.28233	7.6
211.11136	10.2
213.12703	51.5
214.13144	13.5
221.13002	7.5
245.15372	17.5
273.14944	28.6
274.15320	10.9
327.17612	9.8
357.18521	8.6
374.18192	10.3
387.19418	8.2
401.21136	14.1
405.21133	8.3
406.29666	8.2
419.22134	27.5
479.24573	10.1
539.26141	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	656.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10540	2.0
53.03934	3.3
55.05516	27.7
57.03433	9.3
57.07080	15.5
58.16664	2.0
67.05179	3.6
67.05513	50.8
67.76617	2.1
69.06727	2.9
69.07075	43.4
71.04994	2.6
71.08624	9.2
76.63031	1.8
79.05502	26.9
81.06585	3.0
81.07066	59.1
82.07392	2.2
83.04977	3.9
83.08624	31.4
85.06542	4.1
85.10159	3.7
91.05482	16.0
93.07056	37.8
95.04932	2.7
95.08616	61.2
97.06549	12.9
97.10176	16.7
105.07024	7.8
107.08612	22.1
109.10175	23.6
111.08085	7.2
111.11701	5.3
117.07023	3.6
119.08584	9.8
120.43382	1.9
121.10155	35.0
123.11733	11.0
125.09650	4.4
129.09093	3.4
131.08545	3.7
133.10136	7.7
135.10820	2.6
135.11711	24.9
139.11145	4.5
145.31673	2.2
147.11697	7.2
149.13261	8.5
153.12735	5.9
159.11732	3.1
161.13309	4.4
163.14832	4.8
189.79089	2.3
193.34875	2.5
205.19518	8.6
223.20554	6.6
233.18983	2.6
251.20139	2.6
279.23154	5.9
287.22131	14.8
313.27261	4.5
325.23761	71.0
327.25534	4.4
343.24814	81.0
351.25385	5.9
353.26877	58.5
369.26321	3.7
544.37048	2.3
596.25610	3.6
603.45105	8.6
621.47308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.8
53.82359	2.2
55.01874	3.8
55.05518	45.3
56.05855	3.7
59.95617	2.0
67.05508	6.6
69.03422	12.0
69.07078	5.5
70.06600	13.7
70.16225	10.0
73.80695	1.9
79.05513	13.0
81.03427	5.2
81.07074	10.4
82.02921	2.7
83.04989	72.6
84.05328	8.9
86.06094	12.8
87.04471	4.1
91.05485	20.9
92.05823	2.4
93.07036	14.6
95.04977	6.5
95.08628	8.9
97.06550	4.0
98.06058	32.6
103.05500	4.6
105.03398	3.1
105.07034	25.4
106.07401	2.4
107.04964	3.9
107.08581	10.2
109.06568	5.2
109.10173	3.3
111.04446	3.0
111.08080	2.6
115.05507	6.1
116.10799	3.2
117.07014	15.0
119.08602	30.4
120.08939	2.3
121.06530	5.5
121.10149	4.1
122.06042	5.1
123.08096	4.5
124.07621	7.5
126.05494	2.2
127.03914	2.6
128.06281	3.5
129.07043	9.4
130.07811	2.3
131.04948	7.9
131.08575	19.4
133.06551	6.5
133.10155	18.0
134.10524	4.6
135.08093	9.9
137.06044	2.1
140.07100	3.7
141.07028	2.9
142.07797	2.2
143.08568	17.1
144.08908	3.2
145.06480	19.6
145.10112	17.9
147.08112	13.7
147.11755	4.7
149.09651	9.1
152.07156	3.2
153.06941	4.0
155.08627	7.1
156.09358	8.4
157.10129	30.9
159.08098	14.9
159.11722	12.3
160.08444	2.4
161.06049	7.6
161.09627	13.3
162.09167	2.9
163.07594	8.2
163.11258	5.5
165.09152	3.0
168.06596	5.6
168.09392	3.3
169.08936	2.9
169.10110	13.1
170.10867	9.0
171.08084	15.5
171.11719	37.2
172.08769	2.5
172.12115	5.3
173.06026	6.0
173.09576	13.3
173.13326	4.1
175.07611	3.5
175.11264	5.3
177.09149	3.3
179.08623	3.8
180.09354	2.8
181.10161	8.4
183.08138	4.7
183.11697	65.8
184.08853	4.3
184.12167	8.2
185.09602	11.2
185.13248	27.5
186.10435	2.9
186.13611	4.7
187.11145	10.4
189.09215	5.6
193.10150	6.3
194.10867	3.8
195.11743	10.3
196.09018	2.8
196.12201	2.6
197.09642	8.5
197.13336	7.2
198.10435	4.1
199.07602	2.3
199.11247	14.4
200.11845	7.2
201.09154	5.4
201.12798	6.8
202.12253	10.8
203.10695	4.1
205.10332	2.5
205.12146	3.0
207.11777	7.5
209.09615	3.6
209.13312	5.2
211.11160	11.8
213.09276	3.0
213.12769	40.2
214.13155	5.4
214.18126	5.3
215.10728	2.4
216.13832	2.8
217.08560	2.5
217.10425	2.4
217.12321	4.2
219.11890	3.6
220.12392	2.6
221.13290	12.7
222.14063	2.9
223.11208	3.6
223.14949	3.7
225.09111	3.7
225.12830	4.8
226.18153	2.4
227.10655	3.3
229.12311	6.1
230.11734	8.6
231.13918	8.0
233.13463	4.7
234.14146	4.6
235.11266	5.2
235.14989	4.0
237.12811	5.5
237.16589	3.7
239.10938	3.1
241.12234	2.6
243.11813	3.5
244.12265	4.2
245.13324	6.2
245.15479	7.7
246.11606	2.8
246.13884	4.9
247.15135	5.5
248.12946	15.4
249.12720	5.6
249.16420	6.7
251.14417	2.9
252.14819	2.5
255.13942	2.8
257.13364	4.5
258.14120	6.3
259.13525	9.3
260.13034	3.2
260.15518	4.3
261.16495	5.0
262.14243	6.3
263.18109	3.0
265.15973	4.7
267.17459	2.2
269.13199	3.1
270.13998	4.3
271.11060	2.7
271.14948	3.5
273.14789	20.8
274.15274	4.4
275.14505	2.6
277.16235	2.9
279.14041	2.5
282.14020	2.8
285.12866	2.4
285.16269	5.1
286.14148	2.7
287.14337	4.7
287.17969	5.2
289.15955	3.1
291.16251	8.6
295.17160	3.6
297.16489	2.4
298.13858	4.1
299.14355	3.3
301.15823	2.8
309.18668	5.1
313.15921	4.0
315.17599	4.9
319.17078	4.0
325.16165	2.4
327.17630	3.0
329.18909	3.9
331.16885	3.2
332.17236	2.8
334.19424	3.2
337.18100	3.7
339.16989	2.3
343.17020	4.0
351.19876	3.4
358.18823	4.4
360.17514	2.8
369.20755	7.8
375.19635	2.8
376.19907	4.4
385.18103	3.6
386.18091	3.4
387.21765	9.9
391.19116	3.7
392.19196	3.7
403.19257	2.8
404.19666	6.0
406.21017	2.7
414.24570	2.7
417.20825	3.7
418.20947	6.7
420.19110	3.3
421.20090	2.7
432.25418	5.3
435.22137	2.8
436.21951	6.5
437.19901	3.8
438.20065	6.1
442.23407	3.4
442.29056	2.4
450.26068	2.7
456.21292	3.7
460.24741	3.2
470.23587	4.9
488.24249	4.6
490.26111	8.4
492.27304	4.3
502.26239	4.9
506.25656	6.9
508.27185	9.4
520.27222	11.8
524.26440	7.5
538.28156	33.6
556.29236	49.5
558.21582	3.8
574.30414	10.4
596.32257	4.9
624.31415	4.1
638.33728	10.1
656.34357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01859	5.9
55.05505	2.9
57.03419	2.4
60.04509	6.5
60.17199	1.5
65.03942	1.6
67.05493	6.1
69.03418	8.5
69.07043	1.9
69.18481	5.8
69.18913	8.2
70.66020	1.3
71.04972	2.2
75.04482	3.9
79.05497	10.3
81.03428	7.2
81.07044	10.5
82.06567	2.4
83.01285	1.7
83.04967	5.6
84.08131	1.7
85.02918	6.9
86.06072	7.4
91.05495	10.0
93.07056	8.4
95.01328	2.7
95.04977	15.3
95.08595	5.9
96.08128	3.4
97.02892	3.9
97.06512	4.6
98.09676	3.7
98.21465	3.1
100.07576	2.5
101.06030	2.6
103.05447	2.6
105.03325	1.8
105.07036	24.8
107.04930	4.8
107.08595	4.1
109.02904	3.3
109.06519	18.1
109.10152	2.7
111.04435	5.6
113.05996	2.6
115.05430	4.8
115.58189	1.3
116.10702	6.8
116.17072	1.5
117.07034	7.1
119.04950	5.9
119.08589	13.1
121.02859	3.8
121.06500	10.1
121.10108	3.0
121.64893	1.8
123.04439	5.2
123.08064	2.1
127.03905	5.0
128.06221	3.5
129.07005	8.2
131.04901	3.8
131.08556	17.2
133.02821	1.4
133.06506	19.2
133.10117	7.0
135.04408	4.4
135.08000	4.3
137.02357	1.8
137.05974	10.4
139.03918	12.9
141.06975	4.4
142.07736	4.8
143.08562	14.4
144.09273	1.5
145.02831	2.3
145.05325	2.1
145.06464	17.3
145.10117	7.5
147.04373	3.6
147.08051	8.3
147.11630	1.5
149.05963	5.1
149.09581	3.0
151.07585	8.3
153.05443	4.9
153.07047	1.7
155.08524	5.1
156.09329	6.0
157.06447	2.7
157.10152	9.0
158.07288	3.0
158.10936	2.1
159.04381	1.6
159.08076	12.6
159.11668	6.0
161.05983	41.9
161.09627	10.2
163.07504	6.6
165.05461	2.1
165.09097	2.0
167.07079	2.5
167.08505	3.1
168.09398	1.9
169.06473	2.3
169.10092	5.3
171.08072	13.1
171.11688	10.3
172.05200	1.8
172.08791	3.3
173.05957	5.2
173.09660	6.8
173.13255	8.0
175.07489	4.8
175.11273	1.7
175.14792	2.4
177.05453	9.0
177.09096	2.5
179.07091	9.7
179.08472	2.0
181.10114	4.9
183.08028	4.8
183.11650	3.5
184.08830	1.9
185.05956	4.3
185.09613	8.8
186.10442	3.2
187.07509	7.0
187.11157	4.7
189.09088	11.4
191.07010	2.1
191.10579	1.9
193.08551	2.0
193.10167	2.0
193.15927	2.8
195.08125	2.8
195.11777	2.1
196.08914	1.9
197.06032	1.9
197.09602	10.5
197.13271	2.3
198.10219	1.6
199.07541	11.6
199.11182	23.7
200.11839	3.5
201.05490	3.2
201.09175	3.6
201.12717	21.6
203.07033	3.2
203.10614	3.3
205.08543	6.4
207.10078	1.9
209.09628	4.2
211.11221	4.5
211.16942	2.4
213.05457	4.8
213.09073	8.6
213.12567	1.8
215.07019	2.0
215.10762	4.1
217.08624	11.2
217.12189	3.8
219.10123	3.8
223.11182	4.0
225.09087	7.7
226.14351	5.7
227.07021	2.2
227.10632	28.0
229.08542	2.5
229.12154	2.3
231.10184	4.8
231.13817	2.0
235.09576	10.7
237.09117	2.0
237.12691	3.0
239.08273	1.8
239.10585	2.5
241.12216	3.3
243.10127	5.1
245.08092	21.2
245.11671	6.7
249.11192	31.4
253.12126	2.9
255.10121	5.9
257.07932	2.1
257.11703	3.5
259.13373	2.2
263.10699	2.3
265.12338	1.9
269.11792	3.2
273.11398	1.8
285.11319	3.2
287.12790	45.1
299.13358	1.9
303.12308	9.1
305.13828	43.3
321.13461	2.6
323.14694	2.0
332.28259	2.1
345.14551	1.7
347.14917	6.1
350.28793	2.6
352.17407	2.9
355.11893	2.1
359.15250	2.4
361.16501	2.1
369.15448	8.7
370.18536	2.1
375.15332	1.8
379.18777	2.5
387.15781	3.0
388.19601	5.9
405.15631	6.4
406.16055	4.1
407.16989	100.0
408.17117	2.4
423.16522	20.7
425.18042	17.0
447.17816	6.0
449.18539	2.1
460.37943	1.4
461.18088	8.3
465.18991	12.9
479.19186	12.3
481.20663	6.0
483.20200	18.9
499.23004	5.1
501.20892	7.0
542.22205	9.9
543.21844	1.6
567.22296	10.6
573.22870	3.3
585.23315	27.1
586.23694	2.0
603.24438	47.5
621.25409	17.8
656.38977	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	655.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.4
55.01865	9.8
55.05511	68.9
57.03438	3.9
57.07065	11.9
62.85294	2.7
67.05496	10.8
69.03411	8.9
69.07050	4.9
69.32513	17.6
70.85068	2.6
79.05499	17.9
81.03412	17.9
81.07048	11.1
83.04483	5.0
83.04980	100.0
91.05482	35.1
93.07059	14.0
95.04971	21.3
95.08595	9.2
98.21568	4.8
103.05441	12.3
105.07030	59.9
107.04929	10.0
107.08575	17.5
109.06510	7.1
109.10164	3.0
115.05451	10.7
117.07024	18.3
118.00524	2.6
119.04927	5.3
119.08583	34.7
121.02864	10.8
121.06477	10.5
121.10104	5.6
122.68298	2.4
123.04400	6.4
128.06236	10.7
129.07030	15.3
131.04926	12.6
131.08574	21.9
133.06494	39.4
133.10135	49.7
135.08023	11.5
141.06967	7.3
142.07762	11.2
143.08574	36.2
145.06490	12.7
145.10095	26.5
146.07304	3.7
147.08046	21.8
147.11749	4.6
149.05908	2.9
149.09616	7.4
153.07002	5.8
155.08578	12.6
156.09338	21.8
157.10133	42.4
159.08063	18.9
159.11693	18.0
161.05981	56.6
161.09596	24.0
163.07555	22.4
163.11171	9.0
165.07002	7.8
166.07741	3.6
167.08588	7.2
168.09285	6.7
169.10133	34.5
170.10896	18.2
171.08066	22.9
171.11682	63.5
172.08801	6.4
172.12427	2.7
173.05965	4.7
173.09610	27.1
173.13243	6.9
175.07567	14.4
175.11200	5.3
177.09048	10.7
179.07109	4.8
179.08582	10.0
180.09332	5.0
181.10150	16.0
182.10841	4.8
183.08063	9.6
183.11697	67.7
184.08765	3.8
184.12283	3.9
185.06044	2.6
185.09616	25.9
185.13277	51.4
187.07596	5.0
187.11195	17.3
189.05440	21.1
189.09117	30.9
192.09280	3.3
193.10204	12.7
194.10904	5.7
195.08054	5.1
195.11655	24.4
196.08699	2.6
196.12389	3.5
197.09628	13.0
197.13307	17.5
198.10347	10.4
199.07506	4.8
199.11169	30.4
200.11978	12.4
201.09064	10.8
201.12727	11.2
203.06992	15.8
203.10471	5.0
205.10178	4.3
205.12242	5.3
206.10950	5.9
207.11708	15.9
208.12425	8.4
209.09732	6.1
209.13237	16.6
210.10364	3.9
211.07619	3.2
211.11163	16.5
213.09058	9.2
213.12743	92.8
215.10678	10.7
215.14378	4.4
216.09219	2.8
217.08490	3.6
217.10373	3.1
217.12225	5.7
218.10825	4.2
219.11800	4.6
220.12447	10.2
221.09656	4.9
221.13173	14.0
223.11205	16.5
223.14806	15.2
224.11914	2.8
225.09120	4.6
225.12747	6.0
227.10776	6.1
229.08466	5.8
229.12234	5.7
230.10907	6.1
231.10023	6.2
231.13840	9.0
232.12407	5.3
233.09685	3.4
233.13258	7.6
234.10448	5.1
235.11243	6.3
235.14810	26.0
236.11952	4.6
237.12721	12.2
239.10637	5.9
239.14375	4.1
241.12259	20.2
243.11783	5.0
243.13785	5.0
244.12480	7.9
245.13181	10.4
245.15405	19.6
246.14053	4.3
247.11182	3.4
247.14853	8.4
248.11896	5.3
248.15706	3.6
249.08986	2.8
249.12701	7.9
249.16499	6.2
251.14287	15.0
255.13814	9.3
256.12363	3.6
257.13333	5.8
257.15515	4.3
258.13947	6.5
259.11057	5.0
259.14893	7.5
260.11935	4.3
260.15399	4.2
261.12860	5.9
261.16336	5.6
263.14197	18.9
265.12311	3.5
265.15796	4.3
269.13205	3.9
270.13986	7.8
271.14856	6.8
272.15775	5.8
273.14819	62.8
275.12881	11.2
277.12433	3.6
277.15570	4.0
279.14096	3.2
281.15552	4.3
283.11218	4.1
283.14777	3.1
285.12662	7.5
285.16388	6.9
286.13385	5.8
287.14246	8.6
287.17447	3.2
289.12256	4.3
289.15704	7.0
291.16037	6.3
295.11111	3.4
297.12933	3.6
297.16342	2.9
298.13638	5.5
299.14279	5.6
299.17737	3.1
300.15018	6.0
301.12335	3.8
301.15836	6.6
301.19244	2.7
303.13864	5.4
303.17401	4.7
307.13068	4.0
309.12582	3.7
309.81900	2.7
311.17865	2.7
312.14960	4.9
313.12488	3.2
313.15863	6.9
314.16412	5.8
315.13693	7.3
315.17419	7.9
317.15350	19.8
319.16846	4.2
325.15872	3.8
327.17346	6.4
328.14539	4.0
329.15448	5.0
329.18982	18.3
331.16888	93.0
332.67795	3.3
333.18448	13.6
339.17294	5.2
342.16000	5.8
343.16913	27.2
345.14444	4.5
345.18506	58.4
347.20032	10.1
351.19788	4.0
355.17014	8.5
357.18457	48.3
359.20511	3.6
361.14435	2.5
361.17969	22.0
367.16708	4.6
373.17926	73.6
375.19534	42.5
385.18039	35.6
387.19656	5.5
389.21133	4.2
391.18936	9.9
393.20395	5.2
403.19095	54.7
405.15720	4.3
405.20633	48.4
406.21118	3.2
407.21994	8.7
417.20758	27.2
421.20111	24.2
435.21664	68.2
453.22711	15.9
463.21118	7.0
481.21930	6.8
495.23853	13.9
503.23886	2.8
573.76630	2.7
581.27118	4.0
637.32452	3.4
655.27960	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
49.99986	1.0
55.05515	5.0
57.07064	1.5
61.00742	0.9
64.28787	0.9
67.05489	4.9
69.07062	1.7
69.36816	7.7
71.04976	1.4
78.70882	1.0
79.05482	3.0
81.07065	4.7
83.04987	9.2
83.08635	0.9
91.05489	5.0
93.07034	3.2
95.04961	1.1
95.08604	2.4
105.07068	2.3
107.08596	2.4
109.10148	1.7
117.06982	1.6
119.08552	1.6
121.10092	1.6
129.07014	1.7
131.08582	1.3
133.10150	1.8
137.09651	1.2
141.07042	1.4
145.10120	1.5
147.08060	1.3
147.11682	1.4
155.08478	1.0
163.11192	1.1
171.11728	1.2
175.01556	3.6
175.87943	1.0
181.02632	6.5
183.11728	1.2
185.13342	1.2
210.11397	1.8
211.12216	1.4
221.10934	1.2
223.12354	2.1
224.13124	1.5
225.10135	1.5
225.13908	6.0
226.14565	1.2
227.04736	1.8
239.15488	1.3
249.13857	1.6
267.14847	4.3
313.12027	3.4
316.17822	1.3
325.86298	1.0
369.18265	1.6
389.17618	1.2
391.19220	1.4
402.18082	1.5
403.19086	3.5
404.19958	1.3
405.20950	2.1
415.19278	2.7
416.19864	3.2
417.20627	4.6
418.21860	1.9
421.23907	1.6
429.20795	2.6
430.22028	1.1
431.17786	1.4
431.22388	3.3
432.23181	2.1
433.24344	6.1
435.21506	2.3
445.19263	1.8
445.24261	3.3
448.18997	1.7
448.25760	1.2
459.21310	11.5
460.22217	4.5
461.19366	1.2
462.20499	4.2
463.21225	2.5
471.21710	1.4
472.22296	1.3
473.22974	3.6
474.24631	2.3
475.21411	6.4
476.21649	1.3
477.22977	13.8
480.21750	1.1
485.23102	2.1
487.24982	6.8
489.23004	2.0
491.24658	4.7
505.26190	2.4
506.26874	2.8
514.87823	1.5
515.24847	2.2
517.22211	1.7
519.27350	1.6
531.23816	2.2
532.24628	1.1
535.23242	2.2
543.18756	3.4
545.25385	13.3
546.25964	1.4
547.19220	1.6
547.27014	19.3
549.25110	14.5
550.25867	13.0
551.24835	1.7
563.26135	5.1
564.26923	4.3
565.24524	1.4
577.27966	2.7
579.29852	6.0
591.26007	13.1
595.28583	3.5
599.25592	6.3
605.27649	27.1
606.28424	20.4
612.25653	3.1
623.28656	100.0
624.28510	2.7
627.27448	1.3
637.30499	13.3
655.27759	27.2
655.40649	4.6
656.27643	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.5
55.66650	0.2
59.75585	0.2
67.05511	0.7
75.04497	0.5
76.27023	0.2
79.05510	0.7
81.07072	0.5
83.04987	0.6
91.05483	0.5
93.07040	0.4
95.05000	0.3
95.08623	0.4
97.75051	0.2
105.07051	0.5
105.38174	0.2
107.07307	0.2
107.08619	0.4
117.07011	0.3
119.08538	0.5
121.10194	0.3
130.38231	0.2
131.08621	0.4
133.10149	0.4
145.10172	0.2
157.10191	0.3
171.11749	0.2
191.42294	0.2
200.91107	0.2
277.13345	0.3
375.30045	0.2
377.17767	0.4
391.19385	0.8
392.20544	0.3
393.21085	0.4
404.20303	0.4
405.16595	1.8
405.21213	0.6
406.17548	0.4
406.22116	0.4
407.17581	0.3
407.22400	4.1
418.18066	0.6
419.18130	2.7
419.23248	0.6
420.19244	1.2
421.20340	0.9
423.21805	0.3
431.22531	0.3
432.19397	0.4
433.20627	4.9
434.21158	4.0
435.21863	7.6
436.22736	0.9
445.20648	0.3
446.21179	0.5
447.17792	1.2
447.22217	1.7
448.19034	1.1
449.19232	1.8
459.22311	0.3
461.18616	1.5
461.24310	0.7
462.20398	4.7
463.21274	4.0
475.21664	1.5
476.22202	0.8
477.23032	1.5
478.23987	0.3
479.20392	1.1
489.22824	1.0
491.20642	0.3
493.22321	0.9
494.23160	0.7
495.23709	1.1
505.22119	0.3
506.23148	0.3
507.20477	0.8
507.24188	0.8
508.24857	1.8
509.25687	2.1
521.25653	10.7
522.26373	0.5
535.25903	0.5
547.27301	0.3
549.25006	16.9
550.25177	0.4
553.25092	0.7
554.21198	1.0
563.26715	3.0
564.27130	0.9
565.28149	0.4
573.20746	0.3
577.24835	0.8
581.27698	3.4
591.24945	0.3
595.29303	10.9
596.30298	0.4
605.24054	1.6
607.28436	0.5
609.27124	11.0
610.27325	0.4
614.24377	0.3
623.28912	1.7
637.26135	0.4
655.31287	100.0
656.31696	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01625	1.7
55.01876	22.3
55.02663	1.2
55.05515	34.9
57.03432	2.3
57.07076	7.7
61.02916	1.5
65.03936	3.1
67.05512	8.3
69.03411	4.1
69.07061	4.4
70.04829	2.5
70.05217	3.3
71.08618	5.6
73.06571	1.6
79.05499	12.3
81.03423	13.3
81.07066	7.6
83.04985	52.2
83.08624	2.0
85.02921	2.1
85.10166	4.4
91.05484	35.9
93.07047	11.2
95.01315	4.0
95.04969	15.6
95.08598	5.9
97.02886	1.8
97.06487	1.7
97.10128	1.7
101.18089	1.1
103.05462	4.7
105.03374	1.9
105.07038	24.4
105.88094	1.3
107.04966	9.5
107.08610	7.2
109.06544	7.7
109.10144	4.1
115.03901	1.7
115.05455	14.8
116.06211	4.0
117.07027	33.4
119.04962	2.7
119.08588	49.6
121.06498	5.4
121.10144	3.7
123.08047	1.6
128.06248	8.4
129.07007	25.3
130.07765	6.7
131.04907	3.9
131.08569	26.1
132.05688	1.8
133.06494	6.8
133.10156	9.6
135.08035	10.6
141.06982	5.3
142.07771	11.2
143.08551	18.3
144.05692	3.0
144.09343	3.5
145.06493	30.0
145.10133	29.5
147.08057	94.4
149.06024	1.5
149.09644	11.5
151.07649	1.3
153.07008	4.1
154.07790	4.5
155.05907	1.7
155.08553	12.4
156.09373	7.2
156.25177	1.4
157.06473	3.9
157.10147	39.6
158.07274	5.6
158.10902	1.8
159.08064	51.1
159.11696	35.3
161.05986	4.9
161.08321	1.4
161.09634	25.0
163.07552	100.0
165.06975	5.7
166.07788	3.1
167.08548	5.4
168.09320	4.3
169.06410	1.7
169.10115	30.3
170.07332	1.7
170.10915	6.7
171.08115	6.8
171.11693	25.6
172.08832	5.8
173.06062	7.6
173.09641	43.6
173.13266	8.8
175.07568	12.2
175.11179	4.0
177.09102	2.1
179.08521	2.9
180.09322	1.7
180.54517	1.2
181.08708	1.5
181.10159	7.6
182.07260	1.8
183.08086	4.8
183.11707	56.1
185.09657	12.4
185.13261	29.3
186.10297	3.0
187.06064	1.2
187.07547	7.4
187.11198	21.1
189.09100	4.0
189.12714	1.2
191.10678	2.3
192.09343	2.3
193.10216	6.9
193.11746	1.4
194.10992	3.1
195.08041	1.7
195.11768	7.6
196.08878	1.8
197.09605	15.2
197.13245	3.0
199.07510	1.5
199.11172	17.8
201.09120	19.5
201.12758	25.4
203.08585	2.4
203.10664	3.9
204.09447	1.5
205.10378	1.8
205.12238	2.0
206.10898	3.1
207.08228	1.5
207.11787	8.4
208.12402	2.4
209.09612	5.6
209.13274	5.5
210.10492	1.4
211.11183	16.1
211.14711	1.5
213.09158	3.4
213.12762	11.0
215.08693	2.4
215.10666	7.1
217.10187	3.4
217.12251	3.8
218.10849	1.7
219.11731	3.0
220.12471	2.3
221.09721	2.6
221.13202	8.0
222.10353	1.8
223.11139	8.1
223.14798	1.8
225.09189	1.9
225.12744	4.4
227.10669	5.1
229.10190	3.0
229.12244	24.1
230.10849	2.8
231.11722	3.6
231.13892	4.2
232.12473	3.8
233.09662	2.1
233.11488	1.8
233.13394	2.1
233.15248	8.2
234.10277	1.4
235.11160	3.2
235.14825	3.6
236.12004	1.7
237.12733	7.4
237.16368	1.6
239.10657	3.6
239.14404	1.8
239.23709	3.1
241.10036	1.5
241.12239	2.8
242.10701	1.8
243.11690	2.8
243.13879	15.2
245.09613	1.9
245.13313	2.1
245.15428	2.8
246.10330	1.6
246.13980	1.5
247.11115	2.8
247.14993	6.6
249.12762	4.7
251.14279	4.5
253.12187	2.2
255.11687	3.0
255.13956	2.8
256.12299	2.5
257.09384	2.1
257.11472	2.0
257.13580	3.2
258.14041	3.3
259.11044	2.2
259.13196	11.6
260.11877	2.7
261.12515	2.9
261.14764	14.9
263.14227	4.0
267.11676	3.2
269.13235	1.8
270.13843	2.2
271.10876	2.5
271.13300	2.7
271.15109	2.6
272.11902	1.5
272.15607	2.1
273.12656	5.6
274.13510	3.2
275.14255	5.3
277.12277	2.7
277.15735	1.4
279.13873	2.0
281.13159	4.0
282.13995	2.6
283.14432	1.6
284.12012	2.4
285.12653	10.1
285.15482	1.9
286.13541	4.1
286.16943	1.6
287.14185	5.4
287.17426	1.7
289.14374	3.7
291.13831	1.7
296.11850	1.7
296.15567	2.0
299.14240	5.3
300.12033	1.4
300.14944	6.6
301.15750	3.1
302.13229	1.6
303.13831	1.4
303.17560	2.4
305.15335	2.1
309.15131	2.5
311.14011	2.0
313.12393	1.9
313.15768	5.6
313.27405	22.0
314.16580	3.5
315.14001	2.3
315.17429	26.8
317.15369	3.5
323.16647	2.7
325.15839	5.1
326.16696	1.8
327.13782	2.0
328.14661	1.5
329.15271	2.5
329.18954	15.0
331.16818	4.1
331.28424	4.9
333.14758	2.3
333.18423	7.0
339.17358	6.6
341.15271	1.9
342.16248	2.7
343.16928	8.0
347.20056	5.0
357.18481	23.4
361.17944	6.9
367.16794	2.3
373.17850	2.3
375.19568	13.8
385.18121	8.4
387.19382	1.7
389.16730	1.9
389.21179	26.4
391.18771	2.4
393.20248	2.0
399.19577	2.2
403.18976	10.6
407.22061	10.1
417.20609	23.3
421.20300	2.0
435.21713	23.5
453.22510	2.9
463.21054	3.9
477.22772	5.2
495.23474	7.6
523.23059	2.0
566.86719	1.6
577.26300	1.7
623.25098	2.6
637.26581	2.6
655.27930	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	655.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.6
55.01857	14.4
55.05263	5.2
55.05511	68.6
57.07059	13.8
62.18677	3.6
65.03943	3.6
67.05499	21.5
68.34474	3.1
69.03417	13.3
69.07072	10.1
69.58929	21.0
70.09354	3.1
71.04990	5.6
79.05501	26.3
79.19124	3.1
81.03428	21.9
81.07059	17.3
83.04987	100.0
83.08604	4.2
91.05480	51.0
93.07034	25.6
95.04977	14.7
95.08595	15.7
97.02892	3.5
97.06535	5.4
103.05466	8.2
105.07035	55.9
107.04947	9.2
107.08591	25.5
107.41093	3.6
109.06496	10.0
109.10162	5.6
111.04425	6.7
115.05431	15.8
115.07453	3.4
116.06228	5.1
117.07021	27.7
119.08592	46.7
121.06499	12.8
121.10118	9.6
125.23619	3.6
128.06221	10.1
129.07008	23.5
131.04922	8.4
131.08586	41.1
133.06512	20.7
133.10136	37.5
135.08031	13.6
141.06993	6.4
141.91350	3.4
142.07785	14.0
143.08568	27.5
145.06468	24.2
145.10146	30.1
147.08051	33.7
147.11674	7.4
149.09656	17.0
155.08582	16.9
156.09314	19.5
157.06512	7.2
157.10133	59.7
158.07283	4.1
159.08051	57.8
159.11655	22.1
161.05977	26.6
161.09587	22.3
163.07538	23.7
163.11174	11.7
165.07004	10.8
165.09108	4.0
167.08585	7.1
168.09335	6.4
169.10158	37.0
170.07274	3.3
170.10942	16.3
171.08104	23.9
171.11705	73.1
173.04544	4.2
173.05913	7.1
173.09605	28.4
173.13255	8.8
174.64517	3.5
175.07524	18.9
175.11226	7.7
177.09114	34.1
179.08502	4.3
180.09303	6.4
181.10126	13.9
183.08090	6.5
183.11713	62.8
185.09685	17.4
185.13249	43.4
187.07591	3.9
187.11159	27.3
189.05307	4.8
189.09113	9.8
193.10117	10.2
193.12036	4.1
194.10910	4.8
195.11732	20.4
196.08835	5.8
197.09688	17.7
197.13264	17.3
198.10300	6.3
199.11166	28.4
200.11855	4.6
201.09111	11.7
201.12747	16.0
201.24498	3.3
203.08507	5.9
203.10640	5.8
205.08478	6.3
205.12204	7.8
206.10962	5.5
207.11707	13.5
209.09627	7.5
209.13284	10.5
210.10175	3.9
211.11192	17.8
211.12944	4.3
213.09288	7.3
213.12753	77.8
215.10596	8.5
217.12212	5.7
219.11742	8.8
220.12421	7.7
221.13258	13.8
223.11191	7.7
225.12582	3.9
227.10695	4.9
229.10312	4.2
229.12201	19.3
231.09999	6.7
231.11905	6.4
231.13829	8.7
232.12372	5.0
233.13420	6.5
235.11119	6.5
235.14957	5.5
237.12808	8.4
239.14497	4.4
241.12241	15.1
243.13832	13.8
245.13336	6.6
245.15424	19.3
246.13791	8.9
247.14777	5.7
249.12724	6.0
249.16550	6.7
251.14262	4.4
255.13791	9.5
257.09521	5.6
257.13312	7.3
258.14154	4.2
259.14880	9.7
261.12604	6.7
262.13480	5.0
263.14221	6.8
265.15768	4.1
271.14709	7.6
273.12271	4.1
273.14819	54.7
275.12991	5.2
277.16013	4.5
285.12720	8.5
285.16257	6.9
289.15207	3.9
291.16296	3.8
297.16339	4.5
299.14349	7.8
300.14911	7.6
301.15891	8.0
303.17645	3.8
315.13953	5.7
315.17337	22.6
317.15179	6.9
317.18863	5.0
325.16006	5.4
328.14609	3.8
329.19067	10.1
331.16876	6.2
333.18417	15.0
343.17014	21.1
345.18253	6.6
347.19995	5.7
349.17822	4.4
351.19360	5.3
357.18451	22.0
361.17825	15.3
373.17905	9.4
375.19620	15.9
379.19138	4.7
385.18091	11.8
389.21268	20.5
391.18842	6.4
403.19131	22.7
405.20532	10.1
407.22076	9.6
417.20715	27.2
421.20227	6.6
423.21277	5.2
435.21744	42.4
435.27274	6.4
439.21136	4.4
443.28046	5.9
453.22321	11.3
461.28992	17.9
493.31757	7.8
537.24841	4.7
595.25867	3.8
619.84338	4.6
655.35352	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	3.3
55.01867	4.1
55.05514	59.4
55.87374	1.8
67.05508	2.1
69.03387	2.5
79.05490	9.0
80.94038	2.0
81.03419	2.1
81.07055	1.7
83.04983	100.0
83.37276	2.2
91.05464	13.4
93.07031	4.3
95.04994	3.0
95.08588	3.2
98.08315	1.8
98.20741	5.7
105.07022	15.7
107.08585	5.3
109.06510	2.9
110.85828	1.7
111.62158	1.8
115.05457	5.6
115.39291	1.7
117.07032	10.0
119.08599	10.8
121.10123	1.9
129.07018	5.6
131.08578	7.2
131.18326	1.9
133.06514	7.0
133.10150	8.4
135.08058	5.2
141.06847	2.0
142.07771	5.0
143.08545	8.1
145.06499	12.6
145.10139	11.5
147.08043	12.0
149.09608	4.7
153.07103	2.2
155.08577	5.4
156.09366	9.0
157.06477	3.1
157.10133	17.6
159.08098	6.5
159.11700	4.3
161.06009	13.0
161.09555	9.1
163.07578	10.9
163.11160	3.8
165.06981	2.2
165.09177	2.2
169.10103	7.5
170.10951	9.5
171.08075	5.4
171.11696	32.0
173.06020	11.4
173.09578	10.8
175.07597	2.9
175.11392	2.0
177.09103	4.9
179.08524	2.5
180.09290	3.0
181.10123	5.1
183.08078	4.0
183.11714	31.4
184.08849	2.7
185.09622	7.3
185.13269	28.5
186.10649	1.8
187.07564	1.9
187.11151	5.4
189.05441	5.5
189.09142	4.2
191.07156	1.9
193.10185	3.7
194.10947	2.0
195.08057	2.4
195.11685	7.9
197.09621	5.4
197.13298	5.6
198.10411	2.2
199.11143	11.9
201.09093	3.5
201.12820	2.8
207.11708	6.4
209.09666	4.0
211.07513	1.8
211.11185	7.5
213.09193	3.2
213.12775	27.2
215.10745	3.3
217.12157	2.1
221.13319	4.1
222.14030	2.3
223.11217	4.0
225.09149	2.7
227.10654	2.5
229.08664	3.0
229.12119	3.5
231.11847	3.3
231.13791	2.3
233.13324	2.5
235.14828	2.7
237.12749	2.1
239.10732	2.1
241.12283	5.1
243.13820	6.7
244.12683	2.2
245.13373	3.1
245.15428	19.3
247.11060	1.8
247.14995	2.6
249.12769	2.4
249.16345	1.9
251.10716	2.0
255.13870	5.3
256.12534	3.0
257.11569	2.3
259.15024	3.0
261.12552	1.9
270.13919	1.8
271.14792	4.0
272.15482	2.0
273.14844	12.1
284.15628	2.1
285.12665	2.7
287.14337	3.8
287.18036	3.3
297.12830	2.1
297.16101	2.5
298.13574	2.3
299.14346	4.2
300.15170	2.9
302.13089	2.3
302.16779	2.2
303.17105	2.4
313.12366	2.4
313.15814	3.2
315.17377	5.8
315.59171	2.1
317.15393	3.9
325.15845	3.1
328.14804	2.7
329.15424	3.2
329.19028	5.6
331.16937	13.6
333.18405	2.8
339.17413	3.2
343.16904	13.4
344.17703	2.2
345.14682	2.6
345.18546	2.1
347.20184	3.5
357.18555	16.4
359.16443	2.3
361.17969	6.4
373.17880	5.4
375.19522	10.8
385.17953	12.0
389.20926	5.1
399.19516	4.0
403.19022	12.8
405.20786	7.3
407.22006	5.3
417.20566	21.3
421.20032	2.7
435.21646	17.4
453.22458	5.6
477.22430	7.5
493.86526	1.9
495.23639	2.8
537.24799	4.6
584.61847	1.8
637.29834	3.4
655.30304	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	655.3112
Annotation	Moluccensin C
Peak:m/z	Relative Intensity
51.72136	1.3
53.03948	2.2
53.20546	1.3
55.01864	1.6
55.05514	54.3
67.05487	3.9
69.03415	2.1
79.05487	4.5
81.07042	2.3
83.04984	100.0
91.05479	13.0
93.07037	4.3
95.04953	2.0
95.08629	2.0
103.05480	2.3
105.07034	12.0
107.08591	5.1
109.06511	2.9
115.05458	6.7
116.06330	1.4
117.07018	10.6
119.08582	16.1
121.06501	2.0
121.10111	2.3
128.06203	3.4
129.06993	6.0
131.05008	1.4
131.08557	10.9
133.06477	4.6
133.10130	14.1
135.08073	5.0
141.06984	3.7
142.07753	5.9
143.08560	13.8
145.06491	5.7
145.10132	10.0
145.34937	1.4
147.08017	9.1
148.08095	1.5
149.09613	4.1
152.44505	1.2
153.07039	2.0
154.07755	2.3
155.08545	6.2
156.09334	11.5
157.06509	2.5
157.10120	18.1
158.07249	1.6
158.24023	1.4
159.08020	4.1
159.11696	3.5
161.05949	6.3
161.09630	7.1
163.07521	10.3
163.11200	3.2
165.07016	3.8
166.07797	2.1
167.08545	3.9
168.09250	1.4
169.10168	11.1
170.10887	6.4
171.08063	7.3
171.11696	39.0
172.08835	2.1
173.09639	8.8
173.13333	2.2
174.98615	1.4
175.07558	3.7
175.11125	2.8
177.09155	4.9
179.08586	3.4
180.09375	2.5
181.10094	4.2
183.08089	3.4
183.11711	17.8
184.08827	3.2
184.12416	1.5
185.09691	8.1
185.13254	28.8
187.07552	2.4
187.11188	4.3
189.05487	3.4
189.09100	3.2
191.07050	1.9
191.10640	2.9
193.10129	2.2
194.10846	2.4
195.08105	1.7
195.11690	10.3
196.08873	1.7
197.09650	4.6
197.13290	4.7
198.10417	4.1
199.11192	22.2
200.11900	2.2
201.09076	4.1
203.10640	1.6
205.10239	2.4
206.10898	1.9
207.11667	4.9
209.09642	2.9
209.13226	3.2
211.11159	4.1
213.09171	2.5
213.12749	38.5
215.10645	2.7
217.10233	2.8
217.12209	2.2
218.10905	2.4
219.11688	3.6
221.13255	3.8
223.11188	5.6
223.14755	1.7
225.12845	1.6
227.10597	2.7
229.12178	3.0
231.09880	1.9
231.11824	3.0
231.13808	3.2
232.12462	1.8
233.13272	3.7
235.14905	1.6
237.12706	2.4
239.10648	2.7
241.12276	7.1
243.11656	2.3
243.13843	4.4
244.12485	2.1
245.13182	3.2
245.15398	19.3
246.14075	1.6
247.14864	3.0
251.10765	1.7
251.14131	1.7
253.10008	1.9
254.10986	2.3
255.13789	4.6
256.12195	2.1
257.13281	2.2
258.13913	1.8
259.13226	2.4
260.12057	1.8
261.12909	1.6
267.11639	2.1
269.13232	4.2
271.14856	1.9
273.12173	0.9
273.14810	20.4
279.13922	2.3
282.14148	2.6
283.14813	3.8
285.12729	1.6
285.16492	2.4
287.14331	2.6
291.13522	1.9
296.15652	1.7
297.16342	2.7
299.14307	3.2
301.15790	1.9
303.13846	3.1
303.17267	1.8
313.12363	1.9
313.15829	2.4
315.13745	3.1
315.17291	1.8
317.15378	3.8
319.13269	2.3
319.16800	2.5
325.15781	1.6
327.13721	2.2
327.17175	2.1
328.14655	2.5
329.15363	2.2
329.18973	2.5
331.16794	7.5
333.18655	7.8
342.16229	2.5
343.13141	2.6
343.16885	14.0
345.14832	5.2
345.18655	4.6
347.20084	5.2
357.18469	18.6
359.16263	1.9
361.17972	8.5
367.16727	2.6
373.17941	8.3
375.19583	17.6
385.17944	16.1
393.20325	1.9
401.17435	1.7
403.19058	25.8
405.20593	3.7
407.22311	5.0
413.19583	2.0
417.20618	15.8
419.18781	2.4
419.60306	1.7
421.20035	3.6
435.21704	26.0
437.19635	3.6
439.20911	1.4
453.22775	3.2
455.20288	3.9
463.21063	8.9
481.22076	2.5
495.23557	5.6
523.23151	1.8
537.24579	1.7
541.24323	3.7
555.25909	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	655.3113
Annotation	Moluccensin C
Peak:m/z	Relative Intensity
50.60072	1.2
53.03939	2.3
55.01863	2.6
55.05514	56.6
69.03426	1.8
79.05499	6.6
81.07048	3.4
83.04986	100.0
91.05481	14.3
93.07049	5.6
95.04983	4.4
95.08593	2.5
98.21588	2.9
103.05449	1.5
105.07042	21.2
106.22728	1.3
107.04965	2.6
107.08601	4.8
109.06591	2.6
115.05458	7.2
116.06190	1.4
117.07025	13.3
119.08578	14.4
121.06519	2.1
121.10126	3.2
128.06226	4.5
129.07034	6.5
130.07776	1.5
131.05017	1.5
131.08585	11.9
133.06490	7.0
133.10139	13.4
135.08046	4.1
141.06978	4.3
142.07788	5.6
143.08566	12.7
145.06499	11.6
145.10123	11.0
147.08037	8.9
147.11594	2.4
149.09610	3.2
154.07689	1.7
155.08563	5.9
156.09361	10.3
157.06483	2.0
157.10136	16.6
159.08047	5.6
159.11705	5.6
161.05975	10.8
161.09563	7.3
163.07556	11.1
163.11209	3.4
165.06993	2.6
165.09088	1.8
166.07829	2.3
167.08607	2.1
168.09314	2.7
169.10126	11.8
170.10896	10.1
171.08142	6.6
171.11696	33.8
173.05994	8.6
173.09628	10.1
173.13287	1.8
175.07549	4.0
175.11186	2.0
177.09081	6.0
178.07823	1.8
179.08618	3.2
180.09294	2.8
181.10114	4.5
183.08121	3.7
183.11714	28.5
184.08731	2.6
184.21378	1.3
185.09628	8.2
185.13264	22.6
187.07538	2.0
187.11211	4.7
189.05473	2.7
189.09116	7.0
191.07039	3.3
193.10170	3.6
195.08014	1.5
195.11636	9.0
196.08731	1.4
197.09677	4.5
197.13261	5.8
198.10489	2.0
199.11194	16.1
201.09120	3.6
201.12790	3.0
203.08754	1.4
203.10657	3.2
205.12207	4.0
206.10924	1.7
207.11696	4.6
209.09702	3.0
209.13197	2.6
211.07463	1.5
211.11249	6.4
213.09177	2.5
213.12749	27.3
215.10756	2.6
217.10226	3.2
217.12131	1.7
219.11726	3.4
220.12544	2.3
221.13272	5.9
223.11217	4.7
225.09012	1.6
225.12766	1.7
227.10689	3.6
229.08449	1.7
229.10355	1.5
229.12271	3.8
230.10831	1.7
231.09883	2.0
231.11896	3.0
231.13896	3.2
232.12491	1.8
233.13445	2.5
235.11139	1.7
235.14809	2.1
237.09096	1.9
241.12263	4.7
243.11757	2.9
243.13873	4.7
244.12538	1.9
245.09766	1.5
245.13367	3.1
245.15421	16.9
247.11267	2.5
249.12729	2.6
251.14168	1.4
255.13861	4.5
256.12598	1.9
257.13425	3.4
259.10953	1.6
259.15143	3.2
260.15771	1.5
261.12637	2.1
261.16687	1.8
267.11545	1.8
269.13318	2.5
270.14053	2.1
271.10971	2.3
271.14972	3.1
272.15692	1.6
273.14838	15.2
275.12933	2.4
277.11987	1.9
279.13818	1.8
281.12952	1.7
282.13916	1.7
283.14636	1.6
284.15317	1.7
285.12769	2.9
285.16583	2.5
287.14423	2.9
287.17801	2.3
291.16248	2.2
299.14261	3.4
300.15244	3.3
301.15662	2.4
307.13089	2.2
311.17984	2.4
312.14874	1.6
313.12228	2.3
313.15820	2.8
315.13708	4.1
315.17480	4.8
316.14673	1.7
317.15460	3.3
317.18991	2.0
319.13504	1.7
319.16971	2.7
324.15100	2.0
325.15897	3.7
327.13779	2.0
327.17441	2.0
329.15469	2.9
329.19022	4.7
331.16895	13.7
333.18527	3.4
339.17535	3.9
343.16916	15.8
345.14688	3.7
345.18478	3.0
347.20129	3.1
357.18475	15.5
361.17987	6.0
373.17926	8.6
375.19562	10.1
385.17960	13.9
389.21158	3.3
399.19226	3.0
403.19003	19.4
405.20844	7.2
407.22061	2.8
417.20676	17.6
421.20126	3.5
435.21695	21.2
453.22729	5.6
463.21158	4.4
477.22729	2.9
481.22919	1.8
495.23538	3.9
517.25861	2.0
537.24530	1.8
549.29968	1.8
555.25854	1.9
637.30042	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	655.311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01665	1.4
53.03951	3.8
55.01873	3.5
55.05516	63.1
62.53716	1.4
67.05510	2.2
69.03418	1.8
71.01678	1.4
77.84439	1.6
79.05505	5.1
81.03421	3.4
81.07066	3.6
83.01337	2.2
83.04988	100.0
86.13380	1.4
89.97493	1.4
91.05502	16.4
93.07071	7.8
95.04967	4.8
95.08611	2.8
98.06012	1.7
103.05454	2.7
105.07038	19.7
107.04986	2.6
107.08604	4.1
109.06518	1.9
115.05428	7.2
116.06313	1.7
117.07024	17.2
119.08586	15.3
121.06506	1.6
121.10175	3.9
128.06197	5.7
129.07005	6.9
130.07814	1.4
131.04895	1.6
131.08551	10.1
133.06488	7.8
133.10152	14.5
135.08080	5.3
141.07036	2.6
142.07785	6.1
143.08578	10.0
145.06497	14.4
145.10109	10.6
146.07259	1.7
147.08063	10.2
149.09630	5.2
153.06902	2.1
154.63867	1.5
155.08585	6.5
156.09381	9.9
157.06538	2.5
157.10141	20.9
159.08119	7.9
159.11652	4.6
161.05988	16.7
161.09639	9.9
163.07553	13.8
163.11197	3.7
165.07083	4.0
165.09077	2.1
166.07780	1.9
167.08589	1.9
168.09409	2.2
169.10165	10.3
170.10910	10.4
171.08131	7.8
171.11697	36.8
172.08751	1.9
173.06036	12.2
173.09627	10.4
173.13300	2.3
175.07564	5.1
177.09059	7.9
179.08490	2.1
180.09344	2.0
181.10150	6.1
183.08087	3.0
183.11699	34.7
184.08855	2.2
184.12341	2.1
185.09662	8.4
185.13268	35.0
186.10490	1.9
187.07541	2.7
187.11180	4.3
189.05501	5.0
189.09135	7.8
191.07051	3.7
193.10118	5.0
194.10832	1.9
195.11697	6.2
197.09641	5.5
197.13271	6.0
198.10448	2.6
199.11160	17.2
201.09114	4.1
201.12735	3.9
203.08818	1.8
203.10658	2.7
205.10262	2.0
205.12187	3.4
207.11739	6.1
208.12437	2.2
209.09639	4.1
209.13347	2.7
211.07423	1.6
211.11183	12.0
213.09335	3.3
213.12755	29.3
215.10739	3.7
215.14384	2.0
217.10205	2.8
217.12108	2.1
218.10866	2.4
219.11769	3.9
220.12378	2.3
221.09669	2.7
221.13286	7.8
223.11209	4.9
225.12611	2.0
227.10635	3.8
229.12283	4.2
229.21817	2.3
230.10895	1.7
231.11905	3.2
231.13786	2.8
232.12360	2.8
233.13313	4.7
235.14816	2.3
239.10690	1.6
241.12234	6.0
243.11810	2.6
243.13892	7.0
244.12242	3.2
245.13356	3.1
245.15419	18.0
246.14030	1.9
247.14822	2.4
249.12959	2.1
249.16330	2.3
255.09808	2.4
255.13887	3.9
256.12558	2.7
257.13217	5.2
259.15100	3.1
260.11942	2.6
261.12762	4.3
261.16321	3.1
262.13406	1.8
265.12170	3.1
269.13248	2.2
271.14767	3.1
272.12054	1.8
272.15216	2.2
273.12411	1.7
273.14780	13.6
273.27295	1.5
275.14194	2.4
277.15985	2.1
281.13208	2.3
282.13754	1.8
285.12875	3.9
285.16400	2.2
286.13452	2.5
287.14224	4.0
287.17813	2.2
297.16180	2.3
299.14243	3.1
300.15073	2.6
301.15768	1.8
302.16544	2.4
303.17072	1.6
310.13614	2.8
313.12369	2.4
313.15976	4.1
315.17502	4.8
317.15283	4.1
319.16934	1.6
325.15872	3.0
327.13821	3.0
327.17523	4.8
328.14511	2.3
329.15457	2.0
329.18964	5.5
331.16989	13.0
333.18536	3.6
339.17154	4.3
343.16968	11.9
345.14752	3.3
345.18497	3.5
357.18582	14.0
361.18076	7.3
367.16974	2.4
371.27866	1.6
373.17892	6.3
375.19815	8.2
385.18149	11.9
389.21091	3.6
399.19525	3.2
403.19043	14.0
405.20554	6.8
407.22208	3.1
417.20551	18.0
421.20093	2.8
435.21710	22.6
453.22766	6.8
463.21365	1.8
477.22455	7.3
495.23761	5.8
499.24579	1.7
517.25159	2.4
537.24677	4.8
637.30127	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	655.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60926	1.4
53.03936	2.9
53.06478	1.5
55.01881	3.6
55.05515	71.1
61.28257	1.5
65.75662	1.5
67.05502	2.2
69.03413	2.7
79.05476	6.5
81.03410	3.1
81.07037	3.2
83.04987	100.0
85.38218	2.0
91.05486	11.7
93.07025	7.6
95.04955	4.4
95.08582	3.1
100.74723	1.6
103.05519	1.8
105.07041	21.2
107.04973	4.3
107.08585	5.5
109.06538	3.2
115.05457	10.5
117.07015	16.6
119.04939	2.3
119.08580	14.2
121.06496	2.5
121.10150	3.8
128.06223	4.8
129.06973	6.3
131.08548	11.6
133.06491	8.8
133.10114	14.6
135.08025	7.0
141.06975	2.8
142.07741	5.3
143.08566	10.6
145.06503	14.5
145.10135	13.7
147.08060	9.3
147.11746	1.9
149.09608	5.9
153.07016	2.7
155.08582	8.8
156.09398	10.8
157.06509	2.4
157.10156	18.1
158.84566	1.6
159.08060	8.7
159.11707	3.3
160.83676	1.6
161.05994	15.3
161.09621	10.5
163.07524	12.5
163.11169	5.3
165.06979	2.4
165.09097	2.2
169.10120	13.1
170.10960	8.8
171.08041	5.3
171.11703	38.1
173.05997	12.3
173.09621	13.1
173.13362	2.0
175.07547	5.0
177.09114	5.1
179.08507	3.8
181.10089	6.1
183.08121	3.9
183.11725	36.8
184.12442	2.4
185.09669	9.8
185.13271	28.8
187.07533	2.8
187.11200	5.8
189.05443	4.6
189.09114	8.1
191.07008	3.6
193.10117	4.0
195.11716	9.2
197.09641	5.0
197.13242	6.1
198.10384	2.6
199.11201	16.9
201.09033	2.9
201.12715	6.7
205.12184	2.2
206.10728	1.8
207.11694	4.7
208.12498	2.3
209.09654	3.8
209.13220	2.9
211.11226	9.1
213.09285	3.3
213.12755	28.5
215.10612	4.0
215.14200	2.2
217.12189	2.1
218.10762	1.9
220.12489	3.5
221.13196	5.1
222.14116	1.8
223.11143	5.2
225.09056	2.0
225.12816	1.8
227.10728	3.8
229.12231	5.5
230.10948	2.4
231.09978	1.8
231.13785	3.8
232.12386	4.4
233.09660	2.2
234.14008	2.2
235.11208	3.2
235.14751	2.1
238.13385	2.2
239.10681	1.6
241.12213	5.1
243.11806	2.1
243.13814	5.5
244.12395	2.8
245.09467	1.8
245.13234	5.6
245.15443	22.4
246.13861	2.3
248.11879	1.8
249.12845	3.2
255.13757	6.7
257.13312	2.8
257.15613	2.0
259.14871	5.0
261.12756	3.1
261.16489	3.3
263.14282	2.4
267.11597	1.8
270.13959	2.2
271.14841	3.9
273.12451	1.9
273.14722	14.1
283.11038	2.1
284.12210	1.9
284.15463	2.5
285.12750	4.8
285.16190	2.4
287.14227	4.4
288.14755	2.0
296.15399	1.9
297.16577	2.1
299.14227	2.9
300.15173	2.3
301.15848	2.0
302.16620	2.6
303.13763	3.3
309.12930	2.4
311.14343	1.8
311.17709	2.0
313.15793	3.2
314.16617	1.9
315.17300	5.7
317.15378	3.0
319.17126	2.7
325.15860	2.8
327.13937	2.1
328.14233	2.0
329.15356	2.4
329.18979	5.9
331.16898	14.7
333.18549	3.9
339.17490	2.9
343.16946	13.5
344.17526	1.9
345.14786	2.8
345.18530	4.2
347.20169	1.9
357.18484	16.5
361.18011	10.2
373.17834	5.1
375.19543	12.0
385.17969	17.5
387.19263	3.5
389.20917	4.1
399.19492	4.9
403.18994	16.9
405.20563	6.7
407.22260	2.9
417.20691	23.9
421.20395	2.9
435.21667	22.3
453.22626	4.5
463.21295	3.2
477.22610	5.6
481.22009	2.5
495.23697	4.6
517.25635	3.1
555.25537	2.3
637.29700	5.7
655.30157	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	655.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
53.50040	2.0
55.01863	5.3
55.05513	60.6
67.05511	3.0
69.03427	3.4
69.07060	2.8
69.38194	5.8
69.38612	8.4
75.39347	1.6
79.05495	6.6
81.07059	5.0
83.04987	100.0
90.63499	1.9
91.05489	19.1
92.13695	1.9
93.07037	8.6
95.04919	2.3
95.08608	3.1
98.20807	3.9
103.05447	2.3
105.07039	30.9
107.08588	6.6
109.06514	3.4
115.05445	10.6
116.06212	2.2
117.07007	15.7
119.08582	15.4
121.05661	1.8
121.06509	3.8
121.10155	2.5
128.06206	4.5
129.07033	9.4
131.04955	2.4
131.08571	11.9
133.06514	12.8
133.10144	13.9
135.08109	8.9
141.07019	3.1
142.07761	8.2
143.08562	14.9
143.60553	1.8
145.06500	17.7
145.10141	14.2
147.08093	12.7
147.09048	2.0
149.09616	7.6
153.06989	4.5
154.07765	2.5
155.08530	9.7
156.09337	12.0
157.06525	3.6
157.10110	21.9
159.08076	12.6
159.11696	6.2
161.05978	21.1
161.09653	13.4
163.07561	10.5
163.11142	4.1
165.07022	4.1
165.09145	4.2
166.07780	2.3
168.09340	3.0
169.10117	12.2
170.10938	9.3
171.08185	8.8
171.11693	40.6
172.08815	4.1
173.05992	14.7
173.09650	14.1
173.13264	3.4
175.07594	3.8
175.11171	2.6
177.09113	9.9
180.09453	2.3
181.10118	5.7
183.08032	4.6
183.11705	40.6
184.08844	2.8
185.09679	9.4
185.13261	31.6
187.11163	5.0
187.14769	1.9
189.05460	3.9
189.09071	9.9
191.07021	6.2
193.10159	4.6
194.10887	2.4
195.11676	9.3
197.09634	8.3
197.13269	11.1
198.10345	4.2
199.11166	15.9
200.11905	3.0
201.09045	4.1
201.12738	6.2
203.08734	2.1
203.10652	3.1
205.12224	4.4
207.11656	6.9
209.13210	3.7
211.11191	8.5
213.09116	5.0
213.12755	29.9
215.10745	4.0
217.12158	2.4
218.11070	2.1
219.11899	2.3
221.13286	7.9
222.13998	3.0
225.12773	3.1
227.10576	3.9
229.10321	2.9
229.12230	3.6
230.10963	3.6
231.10020	2.3
231.11960	2.9
231.13931	3.3
231.35184	2.1
232.12503	3.2
233.11586	2.8
235.11096	2.3
235.14929	3.1
237.12726	4.1
241.12257	3.4
243.11725	3.5
243.13834	8.5
245.13222	6.1
245.15390	20.6
247.11078	2.5
247.14906	3.0
248.15521	3.1
249.12729	4.3
249.16382	3.3
255.13814	6.2
256.12491	2.7
258.13956	4.1
259.11093	3.1
259.14911	5.5
260.11856	2.3
261.12762	2.4
261.16394	2.0
269.13232	2.3
270.13980	2.7
271.15063	2.8
273.12466	2.3
273.14789	12.5
285.12872	3.4
285.16464	2.3
286.13501	2.6
287.14365	6.2
289.15753	2.9
297.16406	2.4
299.14377	4.8
299.17868	2.2
300.15002	3.2
301.12286	2.0
303.17584	3.1
307.13437	2.4
311.17801	2.5
312.14963	2.8
314.16693	2.1
315.14020	2.0
315.17358	7.4
324.15045	3.1
325.15930	3.4
327.13559	2.9
327.17209	4.5
329.19006	3.6
331.17001	17.5
333.18628	3.3
339.17270	4.8
343.16934	18.3
345.18500	2.3
347.19977	4.3
357.18539	14.9
361.17963	7.0
373.17834	5.3
375.19635	9.6
385.17953	14.4
387.19394	2.2
389.21194	3.1
399.19455	4.0
403.19089	16.4
405.20523	9.4
407.22052	5.6
417.20670	28.5
421.20108	3.2
435.21695	26.1
453.22549	7.1
477.22693	8.3
481.22012	2.7
495.23468	3.9
623.28815	2.2
637.29803	4.3
655.31018	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
53.68976	1.6
55.01860	7.3
55.05517	33.2
66.61111	1.8
67.05486	6.6
69.03412	5.8
69.07069	2.9
74.58808	1.7
74.88869	1.9
79.05482	8.1
81.03436	16.6
81.07030	5.1
83.04983	57.6
86.44738	1.9
88.21819	1.7
91.05490	17.2
93.07043	10.3
95.01295	2.6
95.04979	21.7
95.08624	2.2
103.05447	5.5
105.07034	31.8
105.07691	3.5
107.04975	2.6
107.08581	3.1
109.06507	4.3
115.05453	4.7
117.07039	10.3
119.04946	2.1
119.08572	21.5
121.02884	11.5
121.06512	6.1
123.08038	1.9
128.06229	4.1
129.07001	9.7
131.04910	6.2
131.08542	9.9
133.05605	2.4
133.06517	27.3
133.10112	11.6
135.08018	2.1
141.07031	4.5
142.07764	5.1
143.08569	16.1
145.06483	7.1
145.10132	19.3
147.08060	18.5
147.11674	2.0
149.09630	3.2
153.07027	3.4
154.07794	2.1
155.06070	1.9
155.08568	7.0
156.09296	5.8
157.06473	2.6
157.10162	16.3
159.08060	9.1
159.11665	4.2
161.05998	38.0
161.09648	13.9
163.07530	8.2
163.11180	4.0
165.06944	4.5
166.07771	2.5
167.08594	4.5
168.09370	2.5
169.10120	17.2
170.10928	6.9
171.08052	8.0
171.11717	22.2
172.08859	2.6
173.06041	2.1
173.09608	15.2
175.07507	10.3
179.08611	5.2
180.09315	5.3
181.10110	7.9
183.08051	4.4
183.11687	19.1
185.05978	2.6
185.09595	12.4
185.13281	17.1
187.07532	2.9
187.11166	6.3
189.05492	12.1
189.09119	19.9
193.10110	11.8
194.10892	6.2
195.11700	17.4
196.08804	3.0
196.12492	3.1
197.09618	8.3
197.11459	2.3
197.13214	10.1
198.10425	2.1
199.11172	12.7
200.11952	6.5
201.09117	8.3
203.07047	16.1
205.10172	4.8
205.12148	2.6
206.10924	4.6
207.11720	11.0
208.12477	5.8
209.09624	7.6
209.13277	15.8
211.11176	7.1
213.09160	2.9
213.12724	18.3
215.10664	3.6
215.14113	2.6
217.08476	3.5
217.10324	2.8
217.12218	2.7
218.10783	2.1
219.11690	3.9
220.12457	8.8
221.09697	5.8
221.13257	12.7
222.10385	2.1
223.11226	16.9
223.14735	14.4
224.11884	2.0
225.09140	2.4
225.12624	4.3
227.10680	4.4
229.08485	9.6
230.11015	3.3
231.11862	2.8
232.12491	4.1
233.09558	3.7
233.13326	5.4
234.10326	4.3
235.11246	3.9
235.14876	18.5
237.12770	8.7
239.10689	5.4
241.12173	6.6
243.11810	3.4
243.13847	3.8
244.12454	5.8
245.13254	3.6
245.15410	4.5
246.13980	5.2
247.11209	4.7
247.14925	4.2
248.11974	10.2
249.12749	6.9
249.16393	2.6
251.14285	14.4
255.11603	3.6
255.13983	2.9
256.12350	2.7
257.13309	3.0
258.14001	2.6
259.11145	6.2
259.14966	4.1
260.11926	2.3
261.12805	4.0
261.16348	2.6
262.13376	2.7
263.11636	2.9
263.14310	21.4
265.15646	2.2
270.14072	4.0
271.11105	3.6
271.14862	4.5
272.11890	3.9
273.12393	3.4
273.14990	11.3
274.13477	4.4
275.14511	2.2
279.14096	1.9
281.15411	5.5
283.11017	3.9
284.15463	2.4
285.12686	4.9
285.16333	3.6
286.10077	2.4
286.13577	2.3
287.14282	6.9
289.15750	4.1
291.13693	2.7
297.12680	6.9
298.13458	7.1
299.10941	2.3
299.14307	6.2
300.14975	4.7
301.15845	3.9
303.13837	3.8
303.17270	2.7
305.15286	3.9
309.12622	3.4
311.14124	3.7
312.15125	4.2
313.12210	3.4
313.15771	7.2
314.16714	3.0
315.13779	3.7
315.17490	4.7
317.15430	16.8
317.18845	3.2
319.13345	3.7
324.15070	2.7
325.11804	2.1
327.13910	3.8
327.17474	8.0
329.15442	2.9
329.18997	13.0
331.16946	100.0
332.17175	2.6
333.14728	3.4
333.18585	9.9
339.17343	2.7
341.18750	2.8
342.16113	4.5
343.16946	18.0
345.18521	83.3
347.20050	3.6
355.16879	9.9
357.18515	43.7
361.18021	15.5
367.16940	6.1
373.17978	77.4
375.19617	26.3
385.18005	37.8
387.19528	5.9
389.21136	2.6
391.18967	9.8
403.13947	2.8
403.19064	43.9
405.20654	59.8
417.20743	17.2
421.20267	14.5
435.21735	42.7
453.22635	2.9
463.20920	7.9
481.22049	7.9
485.22968	2.4
495.23682	14.5
581.27185	9.4
655.27844	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	655.2769
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
53.03950	0.7
55.01887	1.0
55.05525	3.1
65.58558	0.6
67.05496	2.0
68.83700	0.6
69.07085	0.9
71.55018	1.0
72.22265	0.6
77.70232	0.6
79.05506	2.0
81.03441	1.2
81.07071	2.4
83.04995	5.1
83.08567	0.6
91.05462	3.1
93.07066	1.8
94.06564	1.0
95.04987	2.4
95.08611	1.6
103.05453	0.7
105.07059	3.3
107.08598	1.9
109.06522	1.8
115.05484	0.8
117.07031	1.7
119.08600	2.3
121.10137	1.1
129.07031	1.4
131.08589	1.5
133.10185	1.6
135.08125	0.7
142.07884	0.7
143.08589	1.4
145.06516	1.2
145.10187	1.4
147.08075	2.8
149.09663	1.6
155.08542	0.7
157.10158	2.1
159.08092	1.9
159.11726	1.0
161.09650	1.4
162.74936	0.7
163.07605	2.1
169.10231	1.1
171.11784	2.2
173.05983	0.9
173.09688	1.7
173.13295	0.7
183.11763	1.9
184.56938	0.7
185.13295	1.7
188.03552	0.8
195.11716	0.7
196.09915	1.0
197.10815	0.7
199.11189	1.0
201.99434	0.7
207.11832	0.7
209.10912	1.0
213.12770	1.9
213.89720	0.6
217.12257	0.6
223.12279	1.0
227.11865	1.3
235.12379	0.7
237.10129	1.0
245.15465	1.2
251.11852	1.2
253.13336	1.0
255.11572	0.7
259.15195	0.6
260.12036	0.6
262.13562	0.7
273.14865	0.7
274.13513	1.8
275.14633	0.8
276.14984	0.9
285.13068	0.8
286.13464	1.8
287.14432	0.7
288.14984	0.8
290.16470	0.9
298.13571	0.8
300.15088	2.1
301.15915	0.8
302.16544	1.2
310.12958	0.6
311.14102	0.7
312.14932	1.1
314.13046	1.0
315.13870	0.7
315.17599	1.2
316.18152	1.0
328.14566	1.2
330.16278	0.7
340.14615	1.0
342.16281	1.0
343.16827	0.7
370.15588	0.8
375.22372	0.7
383.12314	0.8
384.17545	0.7
398.15115	0.8
403.19366	2.3
405.16730	1.0
407.22449	1.3
415.19766	0.9
416.20297	0.9
417.20850	2.6
418.21426	0.9
419.18387	1.4
426.14694	1.1
428.19998	1.1
430.21988	1.5
431.22824	0.9
433.16043	0.9
434.21332	0.9
435.21707	2.4
440.16055	1.1
447.17322	1.4
447.22794	1.1
449.19745	2.0
457.20630	0.9
458.17126	2.0
459.22333	0.9
462.20419	0.8
463.21509	1.4
475.21457	3.1
476.22452	0.9
477.18652	5.3
481.26312	0.9
486.21021	0.8
489.19373	2.5
490.18918	1.1
491.20691	2.0
493.18857	1.0
501.22873	1.0
503.21008	1.5
505.22415	1.5
507.19733	0.8
517.22321	2.2
521.25293	1.1
533.18872	0.8
533.26300	1.1
534.22870	1.2
535.23102	3.5
537.25146	2.4
543.36493	0.7
545.21503	1.3
549.25409	5.4
559.23511	11.7
561.25348	4.1
563.23059	6.5
564.23877	2.1
577.24463	14.4
579.26300	1.0
581.24390	1.9
587.23224	0.8
591.25708	1.4
595.25244	1.2
605.23969	29.3
605.33759	1.5
609.27393	1.0
619.25610	4.3
623.24860	6.1
637.26611	100.0
638.26953	3.4
655.27551	20.6
655.41321	1.0
656.27612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2765
Annotation	Karajinone A
Peak:m/z	Relative Intensity
53.30993	0.5
54.10022	0.4
55.05520	2.4
57.03465	0.4
67.05506	1.9
69.07089	0.6
69.18700	0.4
69.20604	4.8
71.04966	0.5
79.05499	2.5
81.07056	1.9
83.04997	4.2
83.08587	0.5
91.05471	2.3
93.07047	1.7
95.08615	1.3
97.10183	0.6
98.20747	0.7
105.07045	1.4
107.08615	1.0
109.10162	0.7
117.06991	1.0
119.08576	1.8
121.10161	0.9
122.09647	0.5
127.97736	0.5
128.06245	0.5
129.07060	0.5
131.08572	1.2
133.10133	1.1
135.11690	0.7
137.05986	0.9
141.07063	0.4
143.08557	0.8
145.06451	1.0
145.10135	1.3
147.07964	0.5
157.10114	0.6
171.09209	0.7
171.11743	0.9
175.01595	0.8
181.02641	1.8
191.10789	0.7
197.11906	0.6
199.08696	0.5
209.10852	0.9
210.11493	0.7
213.26443	0.5
215.08237	0.5
221.10730	1.3
223.12286	2.4
224.13097	1.8
225.13914	1.6
227.04680	0.7
235.12321	1.9
236.13116	1.9
237.13864	4.1
238.14633	3.5
239.15509	1.8
246.11548	1.0
247.12460	0.7
249.10228	0.7
249.13937	2.9
250.14911	0.6
251.15463	4.8
252.16216	1.4
253.17061	3.3
259.10788	0.8
261.13959	5.3
262.14819	1.1
263.11902	0.7
263.15488	0.8
264.12628	0.7
265.13370	0.6
267.15256	0.5
275.15524	0.9
277.13599	0.5
277.16895	0.8
279.14966	2.0
280.15802	0.8
283.11438	0.5
288.15787	0.5
300.15356	0.5
313.12070	1.5
315.17322	0.5
325.93658	0.5
326.16333	0.6
337.14572	0.5
339.16714	0.6
340.18237	1.0
342.19583	0.6
343.24850	0.7
350.16644	0.7
352.17725	1.4
353.17862	0.6
362.15884	0.8
364.18005	0.9
365.18094	1.7
366.19611	1.2
367.19601	2.4
368.20258	1.1
369.17920	0.7
377.17755	2.1
378.19275	1.0
379.15225	0.9
379.19452	1.9
380.16284	1.0
381.16757	1.0
381.20975	1.4
382.21786	0.8
383.22449	0.6
390.19479	0.5
391.15289	1.0
391.19647	0.9
392.19971	1.5
393.16727	1.1
393.21072	1.6
394.18057	1.4
395.18661	3.3
396.19620	1.1
400.20276	1.0
402.21750	0.6
404.16696	1.1
405.17209	1.9
405.21680	1.1
406.17749	1.3
407.18668	2.8
408.19751	0.7
409.20309	1.5
411.21930	1.3
419.18719	1.5
420.19650	1.4
421.20111	1.6
422.21188	1.9
423.17862	1.1
425.19632	1.2
426.21774	0.6
427.22141	1.0
433.16373	0.8
435.17654	2.6
437.19833	1.5
438.20853	1.6
439.21649	2.3
440.22726	0.7
441.23071	0.9
448.18790	2.4
449.19778	3.3
450.21317	2.5
451.22028	1.1
452.23175	0.8
453.22635	1.5
454.23969	1.3
455.20654	0.9
461.20285	1.2
463.21960	1.2
465.18820	6.2
466.19510	0.6
467.20810	1.5
469.26590	2.9
470.23901	0.8
473.30765	0.5
475.21158	0.9
476.17993	2.5
477.18784	0.8
479.24854	2.7
480.21872	2.2
481.22327	2.1
482.23218	3.2
483.20590	1.8
493.22455	1.7
496.24658	0.6
497.25778	5.6
499.23877	0.8
507.24304	4.4
508.20493	3.3
509.22040	1.0
510.22635	2.5
512.25372	0.6
513.25238	0.7
514.25800	5.2
521.21783	0.9
525.25104	9.3
529.28076	5.4
535.23505	3.2
536.23907	1.0
538.22284	0.8
539.26758	1.0
541.27460	0.6
542.25458	2.0
552.23907	1.1
553.24341	3.8
557.27606	3.6
563.22766	2.9
567.26129	5.4
569.27582	1.7
570.24896	1.8
580.23145	0.7
581.24261	3.9
585.27051	15.7
595.25531	91.9
596.25977	3.7
599.25171	2.5
613.26581	100.0
614.27008	3.5
623.25256	3.7
627.28687	1.6
655.27612	9.1
655.42651	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01887	1.0
55.05525	3.1
65.58558	0.6
67.05496	2.0
68.83700	0.6
69.07085	0.9
71.55018	1.0
72.22265	0.6
77.70232	0.6
79.05506	2.0
81.03441	1.2
81.07071	2.4
83.04995	5.1
83.08567	0.6
91.05462	3.1
93.07066	1.8
94.06564	1.0
95.04987	2.4
95.08611	1.6
103.05453	0.7
105.07059	3.3
107.08598	1.9
109.06522	1.8
115.05484	0.8
117.07031	1.7
119.08600	2.3
121.10137	1.1
129.07031	1.4
131.08589	1.5
133.10185	1.6
135.08125	0.7
142.07884	0.7
143.08589	1.4
145.06516	1.2
145.10187	1.4
147.08075	2.8
149.09663	1.6
155.08542	0.7
157.10158	2.1
159.08092	1.9
159.11726	1.0
161.09650	1.4
162.74936	0.7
163.07605	2.1
169.10231	1.1
171.11784	2.2
173.05983	0.9
173.09688	1.7
173.13295	0.7
183.11763	1.9
184.56938	0.7
185.13295	1.7
188.03552	0.8
195.11716	0.7
196.09915	1.0
197.10815	0.7
199.11189	1.0
201.99434	0.7
207.11832	0.7
209.10912	1.0
213.12770	1.9
213.89720	0.6
217.12257	0.6
223.12279	1.0
227.11865	1.3
235.12379	0.7
237.10129	1.0
245.15465	1.2
251.11852	1.2
253.13336	1.0
255.11572	0.7
259.15195	0.6
260.12036	0.6
262.13562	0.7
273.14865	0.7
274.13513	1.8
275.14633	0.8
276.14984	0.9
285.13068	0.8
286.13464	1.8
287.14432	0.7
288.14984	0.8
290.16470	0.9
298.13571	0.8
300.15088	2.1
301.15915	0.8
302.16544	1.2
310.12958	0.6
311.14102	0.7
312.14932	1.1
314.13046	1.0
315.13870	0.7
315.17599	1.2
316.18152	1.0
328.14566	1.2
330.16278	0.7
340.14615	1.0
342.16281	1.0
343.16827	0.7
370.15588	0.8
375.22372	0.7
383.12314	0.8
384.17545	0.7
398.15115	0.8
403.19366	2.3
405.16730	1.0
407.22449	1.3
415.19766	0.9
416.20297	0.9
417.20850	2.6
418.21426	0.9
419.18387	1.4
426.14694	1.1
428.19998	1.1
430.21988	1.5
431.22824	0.9
433.16043	0.9
434.21332	0.9
435.21707	2.4
440.16055	1.1
447.17322	1.4
447.22794	1.1
449.19745	2.0
457.20630	0.9
458.17126	2.0
459.22333	0.9
462.20419	0.8
463.21509	1.4
475.21457	3.1
476.22452	0.9
477.18652	5.3
481.26312	0.9
486.21021	0.8
489.19373	2.5
490.18918	1.1
491.20691	2.0
493.18857	1.0
501.22873	1.0
503.21008	1.5
505.22415	1.5
507.19733	0.8
517.22321	2.2
521.25293	1.1
533.18872	0.8
533.26300	1.1
534.22870	1.2
535.23102	3.5
537.25146	2.4
543.36493	0.7
545.21503	1.3
549.25409	5.4
559.23511	11.7
561.25348	4.1
563.23059	6.5
564.23877	2.1
577.24463	14.4
579.26300	1.0
581.24390	1.9
587.23224	0.8
591.25708	1.4
595.25244	1.2
605.23969	29.3
605.33759	1.5
609.27393	1.0
619.25610	4.3
623.24860	6.1
637.26611	100.0
638.26953	3.4
655.27551	20.6
655.41321	1.0
656.27612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23688	1.9
53.03932	6.4
54.06227	2.1
55.01863	3.1
55.05519	22.4
57.03445	13.2
57.07079	15.6
59.05016	2.2
65.03936	2.8
67.05509	76.4
69.06730	3.0
69.07074	41.0
71.04984	3.3
71.08645	10.2
71.26392	4.7
73.06561	2.8
79.05067	3.7
79.05500	49.3
81.07065	78.4
83.04981	6.3
83.08625	32.5
85.06551	5.4
85.10188	4.5
91.04963	3.4
91.05486	39.1
93.06483	2.8
93.07051	53.5
94.86615	2.0
95.04955	3.8
95.08057	3.6
95.08614	57.3
97.06545	15.9
97.10179	18.1
99.08056	2.8
105.07040	15.4
105.52748	2.2
107.08604	33.8
109.10173	24.2
111.08096	12.0
111.11698	3.2
117.06987	12.1
119.08585	17.7
119.27841	2.1
121.09322	3.8
121.10146	57.7
123.11694	10.9
125.09645	6.4
129.06992	3.1
131.08600	13.9
133.10129	24.7
135.08078	2.2
135.11702	38.7
137.09624	2.7
139.11188	5.8
142.89967	2.0
144.45627	2.1
145.10135	12.8
147.11702	10.8
149.13266	17.3
151.11176	2.3
153.12772	6.3
157.10172	2.9
159.11682	8.0
161.13293	6.5
163.11201	3.2
163.14789	5.9
167.14343	4.6
171.11728	3.6
173.13222	4.4
175.80035	1.9
177.12686	4.4
181.12337	2.5
185.13319	3.1
203.07980	1.9
205.19548	10.9
214.93373	2.1
215.18037	3.5
223.20557	8.3
233.19101	2.6
241.19543	6.7
257.18912	1.9
259.20575	25.6
275.20068	3.0
277.21649	16.0
287.22195	24.9
306.80170	2.2
315.23038	2.7
325.23758	78.0
327.25421	3.4
333.24243	14.6
341.23178	3.1
343.24817	100.0
351.21170	2.9
351.25339	47.3
389.22464	1.9
490.75537	2.1
494.15115	3.5
521.06830	2.7
521.37720	2.4
522.12897	2.8
527.40179	2.2
583.44409	2.2
594.16736	7.9
595.17383	2.7
601.44678	16.3
619.45770	52.7
622.27161	5.5
654.29767	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	654.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01856	2.1
55.05515	35.2
57.03425	8.2
57.07079	21.4
57.96743	1.8
58.06587	2.6
65.03941	7.0
67.05508	91.0
69.07074	48.4
69.07450	2.4
69.18036	20.3
71.04990	4.1
71.08626	3.4
79.05496	39.7
81.07059	97.7
83.04990	8.1
83.08622	31.2
85.06530	7.1
91.05485	48.8
93.07042	45.9
95.04969	3.9
95.08613	91.0
97.06511	9.2
97.10176	21.3
99.02679	31.4
100.03010	5.3
105.07021	27.0
107.04990	2.2
107.08596	25.2
109.10157	31.0
111.08084	6.2
111.11723	5.7
113.06090	1.9
117.07027	16.3
119.08599	20.5
121.10149	25.9
123.08055	3.9
123.11729	10.8
125.09609	3.4
125.13287	2.9
129.07037	4.7
131.08580	18.9
133.10147	24.8
135.08092	10.3
135.11714	15.2
137.09660	2.1
137.13219	3.4
139.11160	3.4
141.06981	2.6
143.08629	3.0
145.10118	16.0
147.11691	22.0
147.59590	2.1
148.12030	3.6
149.09634	6.5
149.13258	5.8
151.11218	2.2
153.12756	2.8
157.10123	3.5
159.11725	12.0
161.13301	4.8
163.11166	3.1
164.85445	2.0
165.12746	3.3
171.11681	5.2
173.13249	7.7
175.01624	4.1
177.12770	7.5
179.14316	3.8
185.13399	2.8
197.13312	2.1
213.63675	2.0
217.19450	3.6
235.20563	2.4
239.17935	6.1
257.18991	9.8
273.03467	2.3
275.20074	22.2
303.91641	2.0
313.23752	20.8
325.23584	2.8
327.25308	100.0
329.09692	5.3
331.22665	6.0
343.24930	2.3
349.23743	65.0
353.00046	4.9
354.00455	2.7
367.24792	41.9
381.26480	2.9
486.09717	2.5
488.22040	2.2
542.15643	8.3
561.41571	9.5
569.41577	2.7
587.43372	3.7
597.21588	2.9
598.22217	24.0
599.21558	2.6
601.44476	5.3
619.45679	92.0
622.27899	3.7
654.28888	30.2
655.29053	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	654.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
53.19072	1.5
53.79524	1.5
55.01865	4.7
55.05262	2.2
55.05513	24.6
57.03429	9.4
57.07069	1.5
59.04993	3.7
61.02922	2.2
61.28857	1.5
65.03941	2.9
67.05508	58.1
69.03434	12.1
69.07069	18.0
69.29736	1.4
71.04983	4.6
72.77973	1.6
73.02927	1.8
79.05495	14.9
81.03419	47.3
81.07059	33.1
83.04990	22.7
83.08620	16.0
85.02923	14.5
85.06542	3.8
87.00827	3.4
87.04459	1.6
91.05489	23.8
93.07056	16.0
95.04981	21.7
95.08613	30.3
97.02908	8.3
97.06559	8.6
97.10151	5.3
98.06061	3.9
98.21548	2.3
99.08076	4.9
103.05464	4.6
104.79784	1.5
105.01857	3.4
105.03406	3.8
105.07035	17.8
107.04962	4.7
107.08611	14.6
109.02869	5.9
109.06499	6.4
109.10160	65.9
111.04441	2.7
111.08067	6.8
115.05466	2.9
117.07021	6.3
119.08588	23.3
121.06511	3.9
121.10160	10.4
123.04430	2.0
123.08082	4.5
123.11708	2.6
125.09633	3.3
127.03931	8.6
129.06993	5.9
131.04907	7.2
131.08565	10.8
133.06490	5.1
133.10114	10.0
135.08051	3.5
135.11685	6.6
135.21674	1.7
137.05968	8.7
137.09613	4.6
139.11174	5.3
142.07787	2.6
143.08533	6.7
145.05049	1.4
145.06461	5.0
145.10118	7.6
147.08025	5.2
147.11685	12.0
149.09612	5.7
149.13223	3.0
151.07570	6.9
151.14801	4.7
155.08585	3.6
155.10664	7.4
156.09375	2.6
157.10173	13.6
159.02937	2.1
159.08078	2.8
159.11691	4.6
161.05975	4.5
161.09593	3.7
161.13298	1.9
163.07544	3.2
163.11211	2.5
165.09158	1.8
165.16597	1.4
167.07051	2.9
168.06604	2.2
169.06374	1.8
169.10100	5.6
171.07991	2.1
171.11716	9.6
172.12036	2.6
173.09579	5.2
173.11740	14.5
173.13216	3.6
175.07567	2.6
175.11168	5.9
175.14867	12.7
176.07826	2.1
177.09120	3.0
178.07822	1.8
181.08652	3.9
181.10175	1.9
183.08107	2.7
183.11687	6.8
185.09589	3.4
185.13274	6.1
187.11122	3.8
191.07047	1.8
193.10507	2.4
193.12213	16.5
193.15897	6.7
197.09602	2.5
199.11172	7.4
201.09131	1.7
203.14273	1.7
207.11807	2.2
209.09608	1.7
209.13298	2.1
211.11182	3.1
211.13190	2.9
213.12701	4.3
215.10847	2.1
219.11703	2.8
221.13193	3.5
227.10651	1.8
229.12428	2.8
229.14360	70.2
231.04872	2.3
231.13840	2.4
231.21564	1.7
245.11697	3.4
247.13173	2.2
265.25296	4.2
267.15936	54.0
267.23273	8.8
285.16333	1.8
291.23300	8.6
309.24271	9.7
312.15445	2.1
313.15939	2.1
327.25314	100.0
327.42694	1.8
353.26831	2.9
355.28244	1.7
369.20691	3.9
371.18533	2.3
383.26367	1.6
389.19470	6.8
394.21490	1.5
403.19675	1.9
403.24619	7.9
417.21088	1.9
421.25888	72.6
539.28046	3.7
557.29791	2.3
575.30212	8.4
653.89545	1.7
654.32330	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	654.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28710	2.8
53.03952	3.3
55.01876	3.0
55.05515	27.8
60.76718	3.1
63.06178	3.5
65.91456	3.2
67.05504	9.6
69.03413	8.3
69.07089	4.4
70.06571	3.8
74.31712	3.2
79.05484	11.9
81.03414	10.4
81.07054	5.8
83.05000	46.0
87.85224	3.8
91.05487	11.8
93.07043	13.2
95.04980	9.1
95.08617	5.8
98.06055	3.8
103.05486	34.7
105.03380	4.0
105.07039	21.4
107.08601	8.9
108.05613	3.5
109.06567	3.1
115.05459	5.0
117.07027	10.9
117.31191	3.2
119.08611	20.3
121.06567	4.3
121.10187	4.1
129.07007	6.8
131.04944	100.0
131.08592	12.3
132.05305	5.9
133.06499	9.2
133.10168	17.2
135.08072	7.1
143.08588	12.0
145.06459	16.4
145.10147	11.6
147.08046	14.9
149.09657	4.1
155.08569	4.6
156.09354	4.9
157.10155	20.6
159.08061	12.3
159.11717	10.6
161.05994	10.8
161.09663	8.8
163.07506	10.4
169.10188	10.0
171.08075	9.6
171.11714	26.2
172.12103	3.4
173.09656	12.1
173.13277	5.3
175.07549	5.8
177.09167	5.4
183.11728	26.8
184.12170	3.3
185.09625	8.4
185.13315	31.9
187.11212	7.9
189.05560	4.8
189.09116	5.6
189.67223	3.3
191.10672	3.9
193.10260	5.0
195.11685	10.0
197.09589	5.0
197.13263	7.4
198.10416	5.5
199.07478	3.9
199.11247	12.7
200.11856	3.9
201.09067	4.8
201.12697	9.6
205.12331	3.6
207.11720	6.5
209.13503	3.9
211.11174	7.6
213.09288	3.7
213.12761	48.9
214.13051	4.4
215.10663	4.9
221.13254	7.6
224.11882	3.1
225.12724	4.6
227.10675	4.2
231.10023	3.6
231.13802	6.5
237.12732	4.3
237.16492	4.1
239.10791	3.8
241.12428	3.9
243.13948	5.2
245.13223	4.1
245.15424	10.5
255.13800	6.1
261.16409	3.5
262.13486	4.0
267.15909	3.8
273.14856	22.1
285.16495	6.3
291.16055	10.0
315.17401	3.9
317.15472	4.0
331.16867	5.0
343.16953	7.3
344.17615	3.6
345.18387	3.2
347.20071	3.4
357.18478	5.9
361.17975	5.1
373.17984	4.4
375.19611	8.5
403.19022	13.2
417.20648	8.6
421.19986	12.1
435.21606	24.3
439.20920	4.9
453.22903	22.1
463.21384	4.1
470.22885	4.0
471.24115	5.7
487.23633	4.5
601.27789	20.3
612.66620	3.3
619.28931	17.2
636.30316	4.9
654.29803	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	653.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.7
67.05502	1.9
69.07068	1.4
71.28181	1.2
79.05515	0.8
81.07061	2.4
83.08609	0.9
93.07026	0.7
95.08614	2.2
109.10170	0.9
119.08611	1.7
141.05652	0.7
257.98044	0.6
317.20837	5.0
373.23727	1.9
491.48019	0.7
653.47534	100.0
654.47937	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	654.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
53.98050	0.7
55.01870	5.0
55.05500	2.8
57.03424	3.0
60.05611	0.7
60.59721	0.9
61.02923	1.7
67.05506	5.7
68.99790	1.8
69.03434	12.6
69.07071	1.2
69.26926	6.4
70.06589	0.9
71.04996	1.2
73.02910	3.0
74.97712	0.8
78.24888	0.7
79.05486	1.8
80.04970	0.7
81.02988	1.0
81.03424	15.5
81.07054	2.7
82.06599	1.0
83.04984	4.5
83.08621	1.5
85.02908	28.9
85.06499	0.7
87.00828	11.0
91.03965	0.7
91.05480	3.2
93.07054	2.0
94.04200	1.8
95.04974	2.1
95.08600	2.2
97.02898	13.3
98.06088	0.9
99.04453	6.9
100.07629	3.3
103.05459	1.4
104.34496	0.8
105.01868	7.1
105.07030	4.3
107.04935	1.4
107.08611	1.5
108.04522	0.7
109.02885	16.1
109.06492	1.2
109.10161	4.1
111.04421	1.1
117.01830	1.1
117.07025	1.8
119.04950	0.7
119.08589	3.4
121.06496	1.4
121.10160	1.1
122.03644	4.7
126.05520	1.4
127.03913	19.7
128.06244	1.3
129.01857	1.4
129.06966	2.1
131.04916	3.0
131.08580	1.0
133.06497	6.2
133.10120	1.8
135.08089	1.7
136.05185	1.6
137.05981	100.0
142.07707	0.8
143.08556	2.2
145.04953	8.2
145.06491	2.8
145.10097	1.5
146.08144	5.5
147.08072	3.3
148.05165	2.7
149.05954	1.2
149.09666	1.5
151.07532	5.0
157.06424	1.5
157.10143	2.6
159.02898	5.3
159.08058	1.5
159.11752	0.8
161.06010	3.6
163.07549	5.4
163.11250	0.9
165.09096	2.6
166.06270	7.4
167.07080	1.6
171.11722	3.3
173.06081	1.0
173.09615	1.2
175.07518	1.8
176.08379	4.3
177.05501	0.9
177.09109	4.6
180.07848	1.0
181.08598	48.3
182.08998	1.1
183.11719	5.4
185.13322	1.7
187.07582	1.5
189.09079	3.6
190.09975	1.1
192.07797	1.0
193.08629	4.0
193.12195	1.1
195.10159	2.4
195.11790	1.5
197.09587	1.0
201.09177	1.2
202.09723	0.9
203.10689	2.0
205.08560	2.1
207.10094	6.4
207.11746	1.0
211.11227	1.1
213.04100	1.0
219.10193	0.9
221.11475	1.2
229.12303	1.4
229.14320	6.2
231.04951	3.8
233.11768	2.9
246.13994	1.0
267.15881	4.5
271.14804	0.8
291.17316	1.1
339.15897	1.9
340.16885	2.1
356.16248	8.7
369.16730	1.0
369.20740	9.8
371.18542	36.8
389.19595	93.3
390.19931	1.8
391.86832	0.9
395.18491	1.2
404.88501	0.7
413.19455	2.6
421.25748	6.2
455.20346	2.0
479.14441	0.8
479.20734	3.3
487.23349	1.8
497.21710	1.9
654.31616	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	653.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
53.48820	2.0
55.01883	6.4
55.05516	24.2
57.03445	2.6
67.05511	10.9
69.03438	12.0
69.07063	3.9
79.05494	18.6
81.03425	18.1
81.07073	12.5
83.04978	38.6
89.06015	2.6
91.05486	23.6
93.07058	16.1
95.04966	18.1
95.08625	9.4
105.07045	20.6
107.04967	12.6
107.08569	7.8
109.06499	5.5
109.10157	4.7
115.05441	6.7
117.07023	13.3
119.04903	2.7
119.08585	27.3
121.06496	8.5
121.10139	5.0
128.06239	5.6
129.07016	8.8
130.07811	3.7
131.04933	5.5
131.08530	11.6
133.06540	4.5
133.10175	13.2
135.08066	7.7
141.07022	3.7
142.07837	7.5
143.08566	15.1
145.06497	13.6
145.10138	15.5
147.08052	30.5
149.09641	7.8
153.07112	2.4
154.07877	2.3
155.08577	7.7
156.09299	7.1
157.06509	3.3
157.10144	17.9
159.08052	14.4
159.11699	2.4
161.09627	15.0
163.07562	9.2
165.06995	3.5
165.09253	2.8
166.07724	3.6
166.12257	2.1
167.08521	6.9
169.10176	7.9
169.93896	2.3
170.10887	5.6
171.08066	7.7
171.11685	19.9
173.09656	9.3
173.13254	2.8
175.07614	6.4
175.11096	2.8
179.08551	6.8
180.09326	3.9
181.10155	8.5
182.10950	3.4
183.08022	3.3
183.11713	13.7
185.09645	9.6
185.13255	14.8
187.11191	4.2
193.10103	6.2
194.10887	4.2
195.08252	2.4
195.11685	9.3
197.09605	4.4
197.13268	7.8
199.11179	15.2
201.12711	2.6
206.10951	6.2
207.11768	7.5
208.12645	3.1
208.76231	2.4
209.09604	4.1
209.13301	6.8
211.11140	5.4
211.14952	4.3
213.12732	16.1
217.10199	5.3
219.11775	4.9
221.13292	9.9
222.13892	2.9
223.11229	6.1
223.14854	6.3
225.12845	8.1
227.20058	6.2
231.11740	6.9
232.12418	5.4
233.13289	6.9
234.14017	3.9
235.11215	4.3
235.14854	6.7
237.12788	5.3
237.16328	6.2
239.10680	3.6
241.10138	2.5
243.11650	4.3
243.13861	3.4
244.12572	3.9
245.13219	5.3
245.15421	7.8
246.14163	5.0
247.11226	3.5
247.14867	5.8
248.15526	2.8
249.12811	5.0
249.16396	5.5
251.14363	9.2
253.13045	2.2
255.14169	3.1
256.12570	3.6
257.13251	4.5
258.14063	2.9
259.14908	4.1
260.12192	3.3
261.12589	2.8
261.16409	5.2
263.14383	4.8
265.15985	5.5
266.16644	2.8
268.12509	2.6
269.13162	4.5
270.13925	3.2
271.10971	2.8
271.14740	2.9
272.15506	3.8
273.14865	2.8
273.16721	2.8
274.17096	2.9
275.14261	6.5
279.17401	4.3
281.12869	9.8
283.10870	2.5
285.12814	4.2
286.13391	2.6
287.14520	2.9
287.18085	4.3
297.12543	2.7
297.16418	3.0
299.14264	4.7
301.15787	2.5
305.19064	2.8
312.14941	4.8
313.15979	4.3
315.17477	18.6
317.19052	3.6
325.15820	5.6
326.16492	3.3
327.17383	8.6
328.17938	3.6
329.15460	4.0
329.19156	6.1
331.16824	4.9
331.20563	3.8
340.18161	3.6
341.19095	5.5
343.16818	2.8
343.20544	9.6
345.18481	3.1
345.22092	14.3
355.20560	50.2
361.25592	2.7
369.18533	5.8
373.21628	100.0
387.19470	8.0
389.21173	2.7
391.22818	4.2
401.21249	4.5
415.22913	7.2
419.22168	9.0
421.19760	2.6
433.23917	17.6
455.25790	12.1
461.19745	4.3
493.25888	7.2
547.23267	5.6
552.28705	2.9
575.22699	4.5
593.24030	9.4
594.26068	2.8
635.24738	9.4
653.25964	52.4
653.41431	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	653.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
55.01864	5.0
55.05262	2.3
55.05514	21.8
57.07097	1.5
67.05507	6.6
69.03448	8.0
69.07071	4.1
69.17219	15.2
79.05499	11.7
81.03425	11.7
81.07049	6.9
83.04985	30.6
91.05491	11.7
93.07041	9.3
95.04971	13.2
95.08625	4.4
98.20738	3.8
103.05453	3.7
105.07008	10.0
105.71947	1.6
107.04958	9.8
107.08604	7.1
109.06516	5.5
109.10142	1.8
115.05463	5.0
117.07032	6.7
119.08549	14.5
121.06477	4.2
121.10164	4.9
128.06229	3.5
129.07011	4.6
129.30237	1.6
131.04910	3.3
131.08611	8.6
133.06470	3.8
133.10139	9.5
135.08099	4.4
141.07014	1.9
142.07768	6.1
143.08588	13.2
145.06496	9.0
145.10127	6.8
147.08064	19.5
147.11647	1.7
149.09628	4.8
155.08569	6.4
156.09366	4.5
157.06525	1.9
157.10132	13.1
159.08107	8.4
159.11696	3.6
161.09615	11.9
163.07582	5.3
163.11215	1.7
165.07039	2.9
167.08594	3.3
169.10150	8.7
170.10954	3.3
171.08061	7.4
171.11693	11.9
173.09618	5.2
175.07584	3.8
179.08554	4.2
181.10135	4.9
182.11055	2.1
183.11719	8.9
184.08873	2.5
185.09608	6.9
185.13266	6.9
187.11177	2.5
192.09431	3.6
193.10146	6.3
194.10901	3.4
195.11679	8.6
196.08737	1.7
197.09673	4.4
197.13261	5.9
198.10452	1.7
199.11206	14.1
203.08514	2.3
205.10226	2.5
206.10921	3.9
207.11720	8.1
208.12437	3.5
209.09641	2.6
209.13156	7.5
211.11201	4.3
211.14859	1.8
213.12737	11.2
217.10158	2.9
218.10916	3.6
219.11676	5.9
220.12596	3.8
221.13269	8.9
223.11163	1.8
223.14824	6.9
225.12744	8.7
227.20004	2.1
229.10114	3.6
230.10944	3.4
231.11722	5.7
232.12463	3.5
233.13261	6.4
234.14020	2.1
235.11206	3.1
235.14836	5.8
236.11949	3.1
237.12759	4.2
237.16417	4.6
239.10730	2.1
239.14267	2.8
243.11710	4.4
244.12363	2.6
245.13232	5.4
245.15437	3.7
246.14095	2.6
247.11137	2.8
247.14838	6.4
249.12799	2.0
249.16391	3.9
250.13779	1.7
251.14326	7.8
251.18033	4.1
256.12640	1.9
257.13239	4.8
258.14050	3.2
259.10962	2.5
259.14886	4.9
261.12811	3.1
261.16443	6.9
263.14377	2.7
265.15982	4.7
269.13379	3.0
271.14670	2.2
273.12518	2.3
274.17200	3.1
275.14380	1.6
275.17831	2.1
277.15936	2.8
279.17401	3.6
281.12991	3.3
283.14737	3.2
284.15564	2.3
285.12653	2.5
286.13193	1.7
287.14447	2.7
287.17978	4.0
289.16107	2.0
296.11768	1.8
297.12698	3.8
298.13748	2.5
299.14471	1.9
299.18027	1.8
300.14954	1.6
301.15924	2.1
303.13770	1.8
310.13547	2.2
311.14105	1.8
311.17841	1.6
312.18661	1.8
313.15854	3.8
315.17444	15.8
317.15613	1.7
317.19107	3.1
325.15848	4.7
327.17383	5.7
329.15421	2.2
329.18991	2.9
331.16904	4.5
331.20609	3.3
340.18103	3.1
341.18643	2.2
343.16855	1.7
343.20566	8.1
345.18390	3.3
345.22119	13.0
355.16348	3.1
355.20612	43.9
369.18689	3.0
373.21661	100.0
374.22040	2.0
387.19336	3.7
391.22485	6.5
401.20972	5.9
415.22882	8.8
419.22263	5.6
433.23868	17.2
433.30295	2.5
451.25552	1.9
455.25812	9.0
473.26846	1.6
475.24994	2.4
479.24368	3.1
493.26117	5.3
653.26080	11.0
653.40747	7.3
654.25928	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3325
Annotation	Gnididilatin
Peak:m/z	Relative Intensity
51.29653	2.7
51.76949	2.7
53.03938	7.8
54.48059	2.7
55.01851	6.8
55.05264	4.4
55.05510	67.5
67.05500	3.8
69.03415	6.1
69.07069	3.3
69.19571	4.1
69.19975	22.9
73.70035	2.9
79.05489	15.6
81.03416	5.4
81.07052	7.4
83.04980	100.0
84.05279	3.0
90.17294	3.2
91.05486	28.0
93.07037	16.4
95.04951	12.7
95.08574	6.8
98.82176	2.8
103.05457	8.2
105.07032	42.1
107.04958	5.3
107.08577	8.0
109.06530	9.8
115.05468	10.4
117.07009	22.8
119.04959	5.0
119.08586	25.3
121.06506	7.3
121.10128	8.3
123.08065	3.1
128.06227	8.0
129.06984	10.5
131.04903	14.9
131.08575	25.0
133.06493	17.1
133.10118	45.3
135.08072	9.3
141.06947	6.9
142.07796	14.6
143.08598	26.8
145.06470	14.4
145.10156	21.8
146.07230	4.2
147.08025	17.1
147.11693	5.5
149.09605	10.8
153.07040	4.7
154.07759	5.1
155.08549	15.6
156.09369	18.7
157.06444	3.0
157.10126	37.8
159.08022	15.7
159.11673	18.6
161.05984	18.9
161.09628	22.6
163.07591	17.8
163.08778	3.4
163.11211	5.3
165.06984	7.1
166.07794	3.0
167.08542	5.7
168.09361	5.3
169.10130	22.8
170.10896	18.0
171.08072	21.9
171.11681	63.3
172.08795	3.4
173.05959	5.0
173.09628	19.4
173.13277	4.8
175.07559	6.7
175.11218	5.7
177.09125	10.9
179.07028	5.0
179.08601	5.4
179.10490	2.9
179.45920	2.6
180.09392	4.9
181.10089	10.3
182.10901	4.5
183.08107	5.7
183.10054	3.4
183.11697	69.7
184.08971	3.0
185.09624	17.2
185.13246	50.6
187.11201	14.2
189.05457	3.4
189.09111	11.3
193.10085	6.4
194.10881	3.4
195.11577	14.0
197.09616	14.0
197.13168	16.3
198.10370	7.9
199.11208	24.7
200.11894	9.8
201.09090	10.8
201.12712	11.7
203.10710	2.7
204.09326	3.2
205.10161	4.3
205.12108	3.1
207.11693	12.0
207.46686	3.0
209.09686	2.9
209.13269	6.8
211.11278	17.0
213.09262	6.2
213.10796	6.0
213.12741	99.6
214.13431	3.2
215.10738	8.3
217.08473	4.5
217.10342	3.7
217.12225	5.5
219.11737	6.0
220.12445	5.7
221.13263	11.7
223.11179	9.3
223.14728	6.7
225.09137	4.5
225.12756	6.3
227.10654	4.0
229.10265	3.9
229.12318	8.5
231.09886	5.5
231.11871	5.6
231.13765	7.6
232.12523	3.3
233.09604	3.6
233.13269	8.7
235.14813	8.0
237.12802	3.4
241.12244	15.7
243.11806	5.1
243.13786	8.0
244.12378	8.6
245.13304	4.9
245.15373	16.1
247.14822	4.9
249.12538	3.4
249.16356	6.8
251.10658	3.9
251.14340	3.6
255.13866	9.7
256.12427	3.8
257.13333	6.0
257.15509	4.8
258.13998	4.4
259.10986	5.1
259.15094	5.0
261.12686	6.5
261.16574	3.8
263.14285	5.1
266.27933	3.2
267.11542	3.1
270.14008	5.5
271.15057	4.8
273.12070	4.3
273.14822	62.9
275.12817	8.6
277.15848	4.3
285.12738	6.4
285.16251	3.6
286.13583	4.2
287.14230	5.1
293.15424	4.9
299.14209	5.9
300.15018	4.5
303.13861	3.6
305.15314	3.7
313.15918	3.2
315.13824	3.8
315.17346	9.5
329.15356	5.7
329.18954	5.7
331.16882	8.6
333.18408	11.0
343.16888	17.3
345.18613	4.4
347.20016	5.8
357.18433	16.5
361.17892	19.5
373.18350	2.7
375.19507	19.5
385.17896	14.5
391.19000	3.6
393.20398	7.0
403.19162	20.8
405.20511	4.9
407.22208	7.4
417.20621	22.1
421.20016	5.3
435.21716	35.2
453.22495	9.4
535.26544	7.6
635.31458	6.3
653.27155	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	653.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01868	12.8
55.05514	24.7
57.07079	25.8
67.05499	8.3
68.81593	2.9
69.03436	53.9
69.07058	4.4
74.42360	3.2
79.05476	11.7
81.03420	11.5
81.07045	7.1
83.04987	40.2
89.42237	2.7
91.05493	42.8
93.07043	11.8
95.04955	10.4
95.08615	4.5
95.96598	3.0
97.06549	4.9
103.05453	6.9
105.03413	7.4
105.07023	26.0
105.92472	2.8
107.04964	12.2
107.08601	9.8
109.06531	8.0
115.05453	15.7
116.06245	5.3
117.07022	28.0
119.08590	42.8
121.06512	8.6
121.10183	6.9
128.06198	10.6
129.07021	28.2
130.07764	7.2
131.04926	5.6
131.08560	29.7
132.80882	3.3
133.06465	5.2
133.10120	25.4
135.08064	8.1
141.06958	8.1
142.07820	15.9
143.08563	27.9
145.06497	25.2
145.10121	28.0
147.08058	100.0
147.11740	6.3
149.09601	9.1
153.06935	5.0
155.08566	11.3
156.09352	12.0
157.10138	35.3
158.07309	5.7
159.08072	48.9
159.11722	9.4
161.09616	42.1
163.07533	11.7
165.07024	6.2
166.07793	3.7
167.08557	8.8
168.09348	3.6
169.10162	23.1
170.10954	7.5
171.08122	15.1
171.11702	60.1
173.06020	9.1
173.09642	32.2
173.13213	7.4
175.07568	27.4
175.11275	5.5
179.08545	5.9
180.09303	3.4
181.10114	9.1
183.11691	33.5
184.08844	3.5
185.09682	24.4
185.13249	36.2
187.07613	5.1
187.11206	11.7
189.09152	4.4
191.10713	9.2
192.09372	5.6
193.10179	8.1
195.11708	14.8
196.08931	3.4
197.09578	11.1
197.13260	13.9
198.10373	6.1
199.11214	31.4
200.12000	6.2
201.09158	6.7
201.12830	3.5
203.10759	3.8
205.10139	3.1
206.10907	5.0
207.11772	6.9
209.09595	3.4
209.13229	5.2
211.11206	8.9
211.14742	3.9
213.09090	9.2
213.12762	34.9
215.10631	14.8
215.14236	5.1
217.08618	5.8
217.12169	9.5
218.10745	3.9
219.11795	4.9
220.12451	3.8
221.13313	8.1
223.11189	9.9
223.14769	5.7
225.09026	3.4
227.10799	3.2
229.12122	14.8
230.10858	4.1
231.10036	4.6
231.11839	4.2
231.13818	46.5
233.13333	6.6
235.14793	5.7
236.15642	5.2
237.12805	5.6
239.10599	7.9
241.12280	17.4
243.09917	5.5
243.13881	5.3
244.12447	4.1
245.11674	10.6
246.14055	4.4
247.11264	4.9
247.14818	9.3
249.12642	6.3
257.13397	4.9
258.13995	6.2
259.13190	34.4
260.11697	3.6
261.12659	5.8
269.09552	4.1
269.13181	8.6
270.13901	4.2
273.12653	7.9
275.14377	4.2
281.12842	5.4
283.11401	4.3
283.14661	6.5
284.15689	5.0
285.12747	6.3
287.14270	8.0
289.12222	4.7
297.12708	9.4
298.13626	3.5
299.14294	8.6
301.15918	5.7
303.13715	4.7
311.14343	4.2
312.14984	5.1
313.12485	4.5
313.15942	11.2
315.13931	3.9
315.17593	8.0
317.18939	8.5
326.16635	4.1
327.17453	14.7
328.18201	7.2
329.15305	9.1
329.18970	4.9
335.19989	7.2
339.13654	3.5
341.18939	9.0
345.18481	11.5
346.19260	4.6
347.16299	7.1
354.16211	4.9
357.18573	5.1
359.19995	11.9
363.19281	4.1
369.18500	17.9
375.19351	12.0
375.23541	16.6
377.20990	13.4
387.19547	64.4
393.24158	24.0
405.20630	64.6
423.21817	5.3
447.21606	13.1
453.26230	12.0
465.22708	26.9
491.24606	4.5
533.25372	4.0
551.26654	7.6
567.29694	5.6
635.32318	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	653.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.7
55.01862	8.9
55.05515	55.8
55.20424	1.5
60.46064	1.3
67.05495	3.7
69.03434	4.5
69.07063	3.6
69.23763	10.7
69.24160	3.2
79.05497	7.8
81.03409	6.5
81.07050	5.4
83.04987	100.0
87.23710	1.6
91.05489	20.1
93.07030	7.2
95.04981	11.1
95.08620	2.5
103.05468	4.5
105.03400	13.9
105.07047	16.6
107.04955	8.6
107.08607	6.6
109.06496	4.5
115.05436	7.3
116.06236	3.2
117.07021	14.6
119.04962	1.9
119.08605	20.9
121.06532	2.2
121.10151	2.7
128.06227	7.5
129.06999	14.0
130.07771	1.8
131.04948	3.2
131.08572	13.7
133.06477	2.5
133.10110	14.1
135.08028	3.2
141.06993	4.8
142.07777	10.2
143.08574	14.6
145.06485	12.9
145.10150	12.3
147.08054	57.4
147.09230	3.2
147.11665	2.1
149.09607	4.1
153.06973	1.6
154.07831	3.0
155.08522	7.8
156.09363	8.9
157.10139	19.4
158.07216	3.6
159.06816	3.1
159.08051	31.8
159.09264	2.9
159.11700	3.8
161.06018	2.8
161.09642	32.0
163.07523	9.0
165.07014	4.8
167.08578	2.9
168.09340	1.9
169.06381	1.8
169.10165	10.5
170.10924	2.7
171.08067	10.3
171.11703	34.9
173.06027	7.0
173.09645	21.9
173.13385	2.1
175.07552	14.9
175.11177	2.9
179.08588	2.7
181.10126	5.7
182.10883	2.5
183.08061	3.7
183.11707	20.7
184.08769	2.5
185.05823	1.9
185.09644	18.3
185.13254	18.4
187.07547	3.4
187.11186	6.2
189.09213	2.5
191.10666	4.4
192.09311	2.0
193.10115	4.4
195.08058	3.3
195.11690	5.3
196.08847	2.0
197.09642	8.0
197.13298	4.3
198.10352	2.3
199.11179	18.4
200.11990	4.3
201.09117	6.0
203.10677	2.2
205.10165	1.8
206.10884	2.3
207.11737	3.9
209.09679	3.1
209.13211	4.5
211.11177	5.7
213.09195	3.7
213.12723	21.1
215.10674	3.0
217.08508	4.9
217.12247	5.2
219.10010	2.2
221.09697	2.1
221.13245	4.3
223.11171	6.4
223.14708	2.0
225.09106	2.1
227.10687	4.3
229.10263	2.8
229.12251	7.5
230.10902	2.0
231.13770	26.8
233.09581	1.8
233.13313	2.6
235.11179	3.1
235.14909	1.9
237.12657	4.1
239.10793	2.8
241.12231	11.5
243.13863	2.7
244.12418	1.9
245.11719	6.2
247.11153	2.3
248.11980	1.8
249.12718	2.9
255.11719	1.8
256.12570	2.8
259.10974	2.9
259.13272	26.5
260.12054	3.0
261.12714	4.9
265.12186	2.9
268.12457	2.1
269.13235	4.4
271.11438	1.9
271.14685	2.1
272.11893	1.9
273.12622	2.9
274.13358	2.6
275.14420	4.3
283.11102	2.5
283.14713	2.2
284.15674	1.6
285.12662	4.4
285.16248	1.7
286.13727	2.2
287.14291	4.1
289.12296	1.9
289.15756	1.8
293.15479	1.9
296.12134	2.1
297.12665	7.7
298.13577	3.3
299.14377	6.8
299.17676	2.7
300.14813	2.6
301.15881	4.5
302.16541	1.9
303.13672	2.0
303.17059	1.7
311.14325	4.5
312.15134	4.0
313.12338	3.5
313.15887	8.2
315.17438	5.6
317.15497	2.4
317.19122	6.3
326.16861	1.8
327.13766	3.6
327.17514	10.0
328.18243	3.5
329.15353	5.2
329.18924	2.5
331.16977	1.7
331.20566	2.8
340.14194	2.3
341.18930	5.8
345.18399	7.9
347.16333	4.0
353.19089	2.7
354.16162	1.8
357.18427	4.8
359.20111	7.8
363.19458	2.2
369.18494	11.1
371.20081	4.4
372.17169	2.6
375.19568	9.7
377.21170	16.5
387.19571	42.9
405.20630	42.7
423.21667	4.6
447.21790	5.2
465.22882	18.3
487.24692	2.2
493.26080	3.2
535.26630	2.3
547.26758	1.9
553.27917	10.3
635.32263	9.4
653.30951	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	653.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.01865	5.3
55.05515	64.0
60.34503	1.6
63.81892	1.6
67.05501	4.8
69.03443	4.5
69.07056	2.2
71.55881	3.0
73.06557	2.3
79.05491	13.0
81.03417	4.2
81.07062	10.6
83.04987	100.0
91.05490	22.1
91.08350	2.0
93.07043	11.2
95.04987	6.2
95.08610	7.3
96.04488	4.7
97.06540	2.5
99.04418	2.3
103.05476	24.0
105.07035	26.1
107.04952	6.3
107.08586	11.8
109.06517	4.2
109.10131	2.3
115.05470	10.0
117.07009	20.5
119.04929	1.9
119.08592	28.6
121.06524	4.4
121.10142	5.6
123.08051	3.5
127.88614	1.7
128.06241	9.1
129.06978	10.9
130.07729	2.0
131.04944	43.2
131.08580	16.4
133.06505	11.3
133.07359	1.9
133.10141	22.1
135.08067	10.6
137.05983	2.4
141.06987	6.0
142.07784	6.6
143.08560	18.9
145.06499	18.9
145.10143	14.2
146.07243	2.7
147.08083	18.4
147.11678	3.0
149.06009	3.5
149.09633	5.3
152.04262	2.0
153.07048	2.9
153.09100	2.2
154.07756	2.3
155.08586	7.7
156.09364	13.6
157.06569	3.6
157.10143	24.6
158.07228	2.4
159.08043	15.5
159.11702	18.2
161.05988	16.3
161.09618	16.0
161.13208	2.6
163.07587	13.8
163.11255	4.6
165.07024	3.7
167.08589	2.9
168.09392	3.8
169.10147	15.2
170.10870	9.7
171.08057	13.4
171.11697	44.9
172.08891	2.2
173.06000	9.6
173.09689	16.3
173.13275	8.4
175.07510	10.5
175.11197	3.3
177.09128	17.2
179.08554	3.7
179.10649	6.1
180.09283	2.4
181.10126	7.5
182.10944	3.4
183.08028	5.2
183.11690	38.2
184.08960	4.5
185.09662	11.1
185.13286	33.6
186.10406	2.7
187.07545	3.8
187.11183	11.7
189.05495	4.2
189.09123	10.4
189.12772	2.6
191.07034	3.6
191.10696	5.2
193.08612	2.7
193.10150	5.3
193.12289	2.1
194.10965	2.0
195.08167	3.7
195.11687	10.4
197.09662	11.8
197.13287	6.6
198.10338	6.7
199.07497	2.2
199.11217	19.5
201.09148	6.3
201.12766	11.1
203.07065	3.1
203.14334	2.2
205.08534	3.4
205.12143	3.3
207.11716	9.6
209.09618	4.9
209.13283	4.5
210.10481	2.0
211.11156	11.2
213.09311	4.7
213.12766	34.3
215.10709	7.2
215.14333	3.1
216.09332	2.7
217.08618	3.2
217.12279	8.5
219.11803	3.7
221.09712	3.1
221.13252	7.3
222.14011	2.4
223.11211	4.7
223.14835	2.6
225.09113	2.9
225.12845	2.4
227.10701	4.3
229.10287	3.7
229.12299	7.8
230.10950	2.8
231.09906	3.0
231.11757	4.8
231.13722	11.5
232.12445	3.7
233.13263	6.0
233.15440	3.4
234.14005	2.3
235.11205	4.5
235.14798	4.4
237.12698	5.3
241.12254	7.7
243.11703	4.0
243.13837	6.6
244.12433	3.5
245.13356	4.6
245.15378	13.3
246.14067	3.0
247.11154	4.2
247.14844	5.7
248.15651	2.5
249.12767	4.2
249.16574	2.3
251.14346	2.5
255.13950	3.4
256.12555	2.5
257.13303	5.7
257.31851	1.9
258.14038	2.6
259.10983	2.4
259.13162	5.6
259.15115	3.3
260.12057	2.2
260.15564	3.5
261.12741	4.3
261.16519	4.3
263.14252	2.4
263.16586	2.8
265.15961	2.6
267.13950	2.4
269.13208	4.1
270.14017	3.5
271.14786	3.4
273.14700	10.2
275.14227	2.9
275.17200	2.1
277.16043	1.9
283.14914	2.8
285.12802	3.0
285.16534	4.6
287.14261	4.8
287.17941	2.4
288.15155	2.4
289.12372	2.2
289.15918	3.4
291.16003	4.5
293.15552	3.3
297.12628	3.2
299.14133	6.8
300.15045	3.0
301.15952	5.3
302.13007	2.1
302.16614	2.3
303.14035	2.2
303.17468	4.6
305.15240	2.6
310.13498	2.8
312.14734	2.7
313.15790	4.1
314.16565	3.0
315.13892	3.2
315.17377	6.5
319.16956	4.3
321.18497	2.9
327.13733	3.3
327.17328	2.5
328.14542	2.1
329.15311	4.0
329.18939	4.5
331.16840	8.6
333.18515	7.0
339.17462	3.9
341.15329	3.0
343.16870	7.7
345.18533	6.3
347.20050	4.5
349.17969	3.7
355.16940	2.2
357.18463	14.2
359.16269	4.2
361.18005	6.8
363.19360	2.2
369.20483	12.2
371.21664	2.1
373.18008	7.5
375.19537	11.8
377.17307	3.1
379.19312	2.4
385.17883	8.0
391.19028	6.8
393.20563	3.0
401.17172	2.1
403.19174	16.1
405.20471	6.8
407.22638	3.6
409.19904	3.2
417.20749	15.4
421.20132	9.6
423.21915	2.9
433.20294	3.1
435.21777	26.0
437.19308	2.2
439.21686	2.7
451.21503	4.3
453.22668	22.8
469.22202	3.8
487.23297	8.6
505.24295	4.9
521.25275	2.7
535.26978	6.9
553.28082	14.1
635.32654	9.9
653.33313	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	653.332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03153	1.4
53.03951	3.3
55.01877	14.1
55.05515	28.0
65.03958	2.0
65.97041	1.2
67.05513	4.5
69.03438	6.8
69.07073	4.2
70.99225	3.1
71.85342	1.4
77.03911	1.3
79.05496	11.2
81.03422	11.6
81.07071	6.7
83.04989	39.7
91.05482	19.8
93.07045	11.0
95.01345	3.4
95.04973	10.3
95.08605	4.8
97.06513	1.9
103.05482	3.9
105.03409	5.2
105.07051	15.5
106.03710	1.6
107.04978	7.2
107.08601	12.3
109.06552	6.7
109.10188	1.5
111.08060	1.4
115.05467	6.8
117.07027	19.5
119.04953	2.7
119.08591	25.2
121.06525	8.0
121.10192	4.0
123.08130	2.7
128.06232	5.8
129.07019	16.2
131.04950	4.7
131.08578	13.5
133.06546	8.0
133.10139	16.0
133.98186	1.2
135.04413	1.3
135.08070	17.5
141.06989	3.1
141.28403	1.3
142.07782	8.3
143.08562	13.3
144.05667	1.3
144.09329	2.6
145.06505	9.7
145.10162	10.9
147.08058	77.5
147.11731	2.8
149.09619	3.4
153.06996	1.9
155.08553	7.0
156.09335	12.8
157.06595	1.7
157.10144	20.3
158.10898	2.4
159.08090	14.3
159.11687	9.0
161.06042	3.9
161.09633	13.4
163.07562	100.0
164.07845	2.0
165.07047	4.4
166.07660	2.6
167.08583	5.0
168.09425	3.2
169.06459	1.9
169.10144	13.1
170.07385	1.6
170.10881	4.7
171.08073	5.4
171.11700	33.3
172.08795	1.9
172.12399	4.1
173.05942	2.1
173.09616	12.4
173.13269	9.9
175.07558	13.4
175.11200	5.1
179.08598	6.0
180.09409	2.9
181.10132	5.6
182.10953	6.8
183.08067	4.1
183.11693	14.6
184.12410	3.0
185.09593	7.2
185.13284	12.1
186.10420	3.5
187.07530	1.5
187.11221	4.6
187.14853	7.0
189.09117	2.3
189.12778	2.4
191.08633	1.9
191.10616	1.5
192.09375	2.0
193.10172	4.7
194.10989	2.2
195.11726	12.3
196.08841	1.8
197.09615	7.5
197.13297	18.0
199.11182	9.4
199.14857	4.0
200.11916	2.6
201.09201	2.8
201.12766	11.1
203.10725	3.9
206.10936	2.8
207.11736	4.7
209.09534	2.2
209.13246	9.9
211.11221	6.2
211.14920	1.9
212.11905	2.0
213.09222	2.8
213.12740	10.8
215.10719	4.7
215.14322	16.7
217.12273	4.1
219.11824	1.7
220.12463	2.8
221.13377	4.6
223.11189	5.4
223.14813	3.8
225.12659	7.2
227.14374	6.3
229.08276	1.7
229.12273	8.8
230.10959	1.4
231.08037	1.3
231.11790	2.3
231.13846	5.7
232.12381	1.6
233.09531	1.6
233.13326	2.3
234.13994	2.0
235.11214	1.9
235.14868	3.2
236.11687	1.9
237.12912	2.4
239.10661	2.3
239.14328	2.3
241.12239	5.7
243.11768	2.2
243.13806	6.8
245.13303	2.1
245.15466	3.9
246.10400	1.9
247.11156	3.0
247.14905	2.1
249.12785	2.6
251.14320	4.0
253.15953	3.2
255.13963	1.5
257.13345	2.0
257.67059	1.3
258.14294	1.8
259.13229	1.7
260.72592	1.4
261.12732	2.0
265.15897	2.7
267.17514	1.9
270.13809	1.8
273.12714	2.2
275.14230	2.1
277.15903	3.4
279.17358	2.0
281.15463	2.2
283.14288	1.6
285.12930	1.5
285.16464	1.7
287.14285	3.4
289.15820	1.9
295.17007	2.5
301.15576	1.6
301.19342	1.7
303.17392	2.1
311.14252	1.4
313.15845	3.9
315.17188	1.7
317.18860	2.7
319.20413	2.3
323.14389	3.4
327.17300	2.9
329.15350	2.0
329.19006	3.8
331.16656	2.4
339.19830	1.7
341.19128	1.9
342.15613	1.7
343.16867	1.6
343.20667	4.9
345.18521	6.2
347.20020	4.0
353.18860	2.2
356.17511	2.5
359.20044	4.0
361.21643	8.8
371.20203	17.7
374.18643	1.5
375.19312	1.5
379.22614	1.5
389.21152	36.1
407.22336	11.3
431.21896	4.3
449.23242	6.3
467.24722	3.3
477.30612	1.5
535.26318	1.6
617.30328	1.8
653.29620	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	653.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
53.62560	1.7
55.01867	5.2
55.05513	71.9
61.30434	1.8
65.03941	2.6
67.05503	6.0
69.03427	4.6
69.07074	3.6
71.05022	2.0
73.06528	1.9
79.05499	15.2
81.03425	6.1
81.07056	9.5
82.86962	1.9
83.04984	100.0
91.04967	2.8
91.05484	28.2
93.07045	13.0
95.04985	9.0
95.08590	4.1
97.02910	1.8
103.05471	8.0
105.03365	3.2
105.07034	35.8
107.04970	7.3
107.08582	8.8
109.02888	2.7
109.06518	8.5
109.10168	2.7
111.08109	2.2
115.05423	9.3
117.07014	19.9
119.08587	25.7
121.06519	6.1
121.10142	4.9
123.08110	2.5
128.06207	8.9
129.07010	11.4
130.07761	3.2
131.04947	9.4
131.08580	18.0
132.05261	4.2
133.05591	2.4
133.06483	14.3
133.10129	37.3
134.06859	1.9
135.04431	2.2
135.08049	11.2
137.05940	2.0
141.07005	6.6
142.07747	11.3
143.08559	21.9
145.06497	19.6
145.10129	17.7
147.08051	10.0
147.11646	3.0
149.09584	9.2
151.07571	2.1
153.07008	5.4
155.08607	9.9
156.09331	15.8
157.06560	3.9
157.10139	39.5
158.07224	3.0
159.08049	15.7
159.11685	16.4
161.06003	20.1
161.09650	17.7
161.13254	2.1
161.70718	2.1
163.07568	17.7
163.11198	7.0
165.06982	5.1
165.19429	1.8
166.07809	3.3
167.08578	5.6
168.09322	4.0
169.06419	1.7
169.10152	20.3
170.10934	15.7
171.08076	12.9
171.11702	48.7
172.08820	3.3
173.06038	6.2
173.09647	18.0
173.13315	5.3
175.07559	9.4
175.11203	4.9
176.22047	1.8
177.09138	6.5
179.07123	3.5
179.08601	8.5
179.10703	2.4
180.09290	4.5
181.10130	9.9
182.10910	4.1
183.08112	5.6
183.11702	57.5
184.12384	3.1
185.09669	17.6
185.13280	45.5
187.07553	3.7
187.11211	11.1
189.05498	8.5
189.09111	10.8
189.12801	3.9
191.07042	2.9
193.10161	6.8
194.10898	2.4
195.11697	17.7
196.08826	2.7
197.09666	8.7
197.13237	9.2
197.77411	1.8
198.10316	6.4
199.07558	4.1
199.11200	23.7
200.11867	5.3
201.09137	4.9
201.12659	10.4
203.10654	3.5
203.14384	3.4
205.10260	2.2
205.12169	3.4
206.10963	2.3
207.11705	7.6
208.08829	2.2
208.12508	3.7
209.13203	3.5
210.13618	2.0
211.11195	14.7
212.08113	2.3
213.09190	3.7
213.12749	68.2
213.14809	3.3
215.08786	2.9
215.10724	6.2
215.14279	2.8
217.10338	3.1
217.12318	7.2
218.10822	2.3
219.11691	3.7
221.09744	2.6
221.13226	9.2
222.13963	2.0
223.11148	6.5
223.14857	4.0
225.09200	3.0
225.12646	2.7
227.10696	6.3
227.14090	2.2
228.11099	3.1
229.08366	2.9
229.10313	2.5
229.12215	6.5
230.10815	2.9
231.09912	2.8
231.11896	3.5
231.13843	6.8
232.12469	2.7
233.09685	2.4
233.13290	4.9
233.15367	3.7
235.11089	4.7
235.14835	5.9
237.12701	4.9
239.10692	2.1
239.14291	2.2
241.12169	14.4
243.11890	4.0
243.13890	6.5
244.12460	5.4
245.11470	3.4
245.13403	3.5
245.15385	17.9
247.11252	3.1
247.14825	5.8
248.15691	2.6
249.12773	6.1
249.16353	3.0
251.14337	5.3
255.13864	7.6
256.12347	2.6
257.13388	4.3
257.15643	2.4
258.14084	2.6
259.10956	3.3
259.13321	6.1
261.12662	6.0
261.16449	3.5
263.14206	3.6
263.16620	2.6
267.11588	2.0
267.14029	2.2
270.13950	3.5
271.11066	2.9
271.13733	1.6
271.14862	1.9
272.15558	2.0
273.12109	2.6
273.14822	38.6
275.12683	4.1
277.15555	2.1
281.13251	2.0
282.14035	3.6
283.14615	3.1
285.12753	5.1
285.16339	4.3
286.13580	2.7
287.14227	6.0
287.17578	3.2
291.15979	5.1
297.16141	2.4
298.13513	3.3
299.11060	1.9
299.14297	7.1
300.14935	4.1
301.15671	4.1
301.18988	2.2
302.16455	3.0
303.13870	2.5
303.17346	4.2
313.15695	3.3
314.16623	2.0
315.13940	3.2
315.17490	8.5
317.15314	3.7
319.16895	3.8
321.18329	3.4
324.15073	3.3
325.15823	2.8
329.19031	5.2
331.16928	10.3
333.18497	7.7
339.17426	2.9
342.16168	2.5
343.16876	15.7
345.18439	4.8
347.19931	5.2
355.17084	2.6
357.18442	19.2
359.16138	2.9
361.17999	17.2
367.16641	2.3
373.17981	7.4
375.19638	14.4
385.18051	11.8
389.21008	3.0
391.19055	6.0
393.20538	2.5
399.19662	3.1
403.19083	23.0
405.20615	7.9
407.22214	3.8
417.20584	21.4
421.20096	9.1
435.21634	33.0
453.22766	13.9
517.25916	2.7
535.26740	6.1
553.27209	2.5
635.31799	5.9
653.29486	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.01866	4.3
55.05264	3.1
55.05516	58.3
55.05782	3.6
61.56461	2.0
66.43071	1.9
67.05496	7.7
69.03425	6.0
69.07070	2.2
71.04987	3.5
71.56158	3.1
77.03920	2.7
79.05506	11.6
81.03422	4.4
81.07053	9.8
83.01322	2.3
83.04987	100.0
85.02925	2.6
91.05484	20.5
93.07066	12.0
95.04977	5.1
95.08619	6.4
96.04511	3.0
97.06516	3.2
99.04443	2.3
103.05478	21.5
105.03397	3.2
105.07043	28.2
107.04951	3.6
107.08598	9.1
107.37323	1.8
109.06516	5.3
109.10152	5.1
115.05476	11.3
117.07025	20.9
118.83449	1.8
119.08587	23.3
121.06546	5.4
121.10146	5.0
122.84371	2.2
123.08092	1.9
128.06219	6.9
129.07031	10.7
131.04933	39.3
131.08560	15.6
133.06502	16.2
133.10153	17.6
135.08055	9.2
141.06972	4.8
142.07767	6.9
143.08586	17.7
145.06491	17.0
145.10132	17.5
147.08057	17.2
147.11681	4.6
149.09625	9.4
153.09052	2.3
154.07918	2.1
155.08585	7.9
156.09351	13.5
157.06512	4.8
157.10147	27.1
159.06895	2.7
159.08018	14.2
159.11765	12.4
160.30205	1.9
161.06003	14.3
161.09616	11.4
161.13329	2.2
163.07527	14.0
163.11192	4.2
165.07045	2.8
167.08586	4.2
168.09431	3.1
169.10112	16.0
170.10907	9.2
171.08061	9.7
171.11700	46.0
172.08862	2.9
173.05989	8.2
173.09668	16.0
173.13271	9.5
175.07587	10.2
175.11244	4.9
177.09126	14.3
179.08580	4.9
179.10683	3.9
181.10185	6.5
182.10904	3.7
183.08093	7.2
183.11705	36.8
185.09673	11.4
185.13254	32.7
187.07500	5.0
187.11131	11.0
189.05516	5.8
189.09103	8.1
189.12714	4.3
191.10651	4.2
193.10178	5.0
195.07860	2.2
195.11728	10.3
197.09561	9.4
197.13225	8.0
198.10439	5.2
199.07681	2.9
199.11206	17.0
200.11909	3.4
201.09221	2.4
201.12798	6.9
203.10735	4.2
205.10370	2.7
205.12218	3.4
206.10970	3.4
207.11722	10.6
208.12509	2.2
209.09634	4.7
209.13261	3.3
211.11122	9.8
213.09265	4.8
213.12749	32.6
215.10692	5.5
217.12285	6.4
219.11812	4.8
219.13794	3.2
220.12431	3.6
221.13307	6.0
223.11211	5.6
223.14922	3.1
225.12808	6.2
227.10704	6.3
229.10252	3.3
229.12271	7.1
230.10959	3.3
231.11757	5.9
231.13889	7.7
232.12450	2.5
233.13390	4.7
234.13927	3.4
235.11156	2.9
235.14853	4.7
237.12733	4.9
239.10629	4.1
239.14398	2.7
241.12241	7.8
243.11642	4.3
243.13821	6.7
244.12474	2.9
245.11505	3.0
245.13460	3.4
245.15456	13.1
246.14082	3.3
247.11108	3.9
247.14964	3.5
249.12813	3.6
249.16377	2.4
252.14876	2.1
253.12349	2.7
255.11647	2.3
255.13925	3.2
257.13385	5.0
258.13974	3.2
259.13412	7.8
260.15527	3.4
261.16589	4.1
263.16519	2.8
271.14929	3.2
273.14676	11.3
275.14282	2.6
276.15219	2.2
283.15140	2.8
285.16296	3.8
289.15884	2.8
291.16013	7.9
297.12625	4.2
297.15967	2.5
299.14264	5.9
300.15118	3.4
301.19199	2.2
303.13861	2.6
303.17422	4.6
313.15884	5.0
315.13879	2.5
315.17404	6.3
317.15317	3.3
325.15692	2.6
329.15417	2.8
329.19128	2.9
331.16916	9.9
333.18411	4.0
339.17786	2.8
343.17035	9.5
345.18658	2.8
347.16330	4.1
349.17984	2.8
357.18515	9.5
359.16284	4.6
361.18112	7.0
369.20718	13.8
373.18079	4.1
375.19598	11.3
377.17307	3.4
385.17981	7.0
387.19232	2.5
389.20844	3.2
391.18909	7.0
393.20679	4.9
403.19092	12.9
405.20706	7.8
409.19858	4.1
415.19342	2.4
417.20612	12.7
421.20102	9.9
435.21750	22.7
451.21442	3.5
453.22632	19.3
455.20844	3.5
469.22171	4.5
473.21835	2.5
487.23233	7.7
505.24283	4.0
535.26605	5.0
553.28278	14.7
635.32654	10.6
653.33643	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	653.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.0
55.01889	6.6
55.05267	3.5
55.05513	58.8
67.05497	7.2
68.66121	2.4
69.03426	4.0
69.07072	5.4
69.27765	3.2
69.28167	19.8
79.05496	12.7
81.03415	7.5
81.07044	9.8
83.04981	100.0
91.05470	23.9
93.07053	13.4
93.39070	2.3
95.01356	6.3
95.04979	7.9
95.08588	6.1
103.05496	9.3
105.03389	9.9
105.07021	33.0
107.04984	3.8
107.08578	11.9
109.06504	4.1
109.10167	4.0
115.03936	4.7
115.05457	5.9
117.07005	15.1
119.08566	27.9
120.66914	2.5
121.06471	3.7
121.10152	6.1
128.06223	6.5
129.06972	8.3
131.04932	14.4
131.08589	18.8
133.05519	3.6
133.06412	13.4
133.10123	63.3
135.08057	6.0
141.06999	5.7
142.07790	9.8
143.08589	18.7
145.06517	7.8
145.10123	16.8
146.41037	2.5
147.08041	18.2
147.11691	3.9
149.09668	7.4
155.08508	12.6
156.09361	14.2
157.10139	30.1
158.07265	3.1
159.08040	15.3
159.11719	11.6
161.05980	10.5
161.09625	17.0
162.06776	3.0
163.07516	12.3
163.11156	6.3
165.07022	7.6
167.08521	3.7
168.09294	4.1
169.10130	23.7
170.10846	14.7
171.08037	7.0
171.11681	47.0
172.12057	4.0
173.09615	13.9
173.13234	4.2
175.07596	6.2
175.11037	3.8
177.09090	18.1
179.06947	3.3
179.08490	5.4
179.51892	2.6
180.09407	5.9
181.10110	7.6
182.10934	4.7
183.08018	6.4
183.11679	35.9
184.08995	3.4
184.12271	8.1
185.09627	13.2
185.13251	23.1
186.13420	3.0
187.07516	5.6
187.11209	13.3
189.05516	3.7
189.09064	10.6
191.10640	2.8
193.10130	9.0
194.10867	5.3
195.11763	13.5
197.09593	7.9
197.13281	9.9
198.10355	4.7
199.11159	17.3
200.11794	7.3
201.09084	8.1
201.12698	5.8
203.10658	5.2
206.10854	6.0
207.11676	9.9
209.09688	6.1
209.13271	6.8
211.11166	10.0
213.09171	7.1
213.12704	25.3
214.13185	3.0
215.10663	9.8
215.14265	3.4
217.10262	5.2
217.12189	5.0
219.11647	5.7
220.12416	5.6
221.13313	10.6
223.11211	5.8
223.14833	8.6
227.10686	8.0
229.12239	6.3
231.09868	3.6
231.11769	7.4
231.13844	8.3
232.12383	4.7
233.13223	7.5
235.14859	7.0
237.12700	5.9
237.16524	3.2
241.12273	12.1
242.13007	4.7
243.11832	3.7
243.13878	4.9
244.12508	7.5
245.13353	4.3
245.15399	10.3
246.13879	4.1
247.14903	5.7
249.12791	4.5
255.13951	3.1
256.12369	2.8
257.13412	4.2
258.13995	5.9
259.15057	4.2
260.15552	4.7
263.14374	7.0
265.12262	3.9
265.91141	2.7
269.13208	6.4
270.13892	8.9
271.14755	6.3
272.15298	3.1
273.12262	3.9
273.14758	20.6
275.12622	12.9
277.12125	2.8
279.13730	3.6
281.13278	4.0
282.14020	3.5
283.01270	3.3
283.14896	5.5
285.12637	2.6
285.16425	4.9
287.14423	3.1
291.13544	3.1
297.16367	4.6
299.14169	4.8
301.15735	6.1
303.14066	3.9
303.17426	3.6
311.14279	3.1
313.12250	4.6
313.15613	3.7
314.16318	3.8
315.13766	3.2
315.17398	7.7
319.16980	4.2
321.18396	3.7
325.15799	4.0
327.13809	5.6
328.14548	4.8
329.15302	5.3
329.18936	6.3
330.15695	3.4
331.16968	17.2
333.14893	5.6
333.18558	11.1
342.15878	6.1
343.16821	23.5
344.17471	5.5
345.18472	9.0
347.20157	5.6
357.18451	24.8
360.16980	3.9
361.17981	15.4
367.16867	2.6
373.17911	11.2
375.19501	29.9
385.17810	8.5
389.20859	4.5
391.18933	3.2
393.20532	7.0
399.19830	2.9
403.19064	26.8
405.20352	8.9
406.59952	2.9
407.22067	12.7
417.20609	37.4
421.20078	6.6
423.21936	4.2
435.21704	37.0
453.22614	14.3
533.24994	3.4
621.22900	5.7
653.26746	21.0
683.45715	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	653.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
54.88594	3.5
55.01876	18.2
55.05303	4.2
55.05519	39.4
57.07081	27.7
67.05498	13.7
69.03141	4.5
69.03441	52.4
69.07061	9.4
71.55557	6.1
79.05496	20.8
81.03439	21.7
81.07059	15.9
83.04988	50.1
85.06560	4.4
91.05483	44.2
93.07059	21.0
95.04962	14.0
95.08603	7.5
97.06548	4.7
103.05444	11.3
105.03391	23.5
105.07036	37.1
107.04958	15.0
107.08575	14.9
109.06517	14.3
109.10151	4.6
115.05473	17.7
116.06219	5.5
117.07017	24.0
119.08589	46.6
121.10145	8.6
124.32369	3.5
128.06229	13.7
129.07056	25.9
130.07787	7.3
131.04976	6.0
131.08585	35.9
133.06502	8.6
133.10133	28.3
135.08057	9.5
141.07021	9.3
142.07767	16.4
143.08600	25.0
144.05727	4.4
145.06493	25.6
145.10112	26.4
147.08058	100.0
147.11670	5.0
149.09644	9.3
155.08542	15.5
156.09369	22.2
157.06525	4.5
157.10126	50.5
159.08069	51.6
159.11685	13.3
161.09641	51.2
163.07564	14.0
165.06953	7.3
166.07750	4.5
167.08597	12.0
169.06590	3.8
169.10147	24.2
170.10936	9.8
171.08047	16.5
171.11690	65.0
173.05957	8.9
173.09642	42.7
173.13287	4.6
175.07541	31.1
179.08629	7.3
180.09337	5.9
181.10184	11.7
182.10863	5.2
183.07996	4.9
183.11725	40.6
184.08899	4.6
185.09665	24.7
185.13243	34.3
187.07436	5.0
187.11154	18.8
189.09154	5.0
189.12674	4.9
191.08635	4.9
191.10606	9.6
193.10243	10.0
195.11700	14.2
197.09584	10.4
197.13234	20.6
199.11189	35.6
200.11963	6.4
201.09109	11.4
201.12822	7.5
203.10760	5.8
205.10269	4.3
207.11676	12.1
209.09590	4.3
209.13235	6.0
211.11200	10.0
213.09058	7.4
213.12747	44.8
215.10715	15.4
217.08516	5.0
217.12207	9.0
219.11810	5.6
220.12434	4.2
221.09668	5.4
221.13309	6.9
223.11177	13.1
223.14700	5.4
225.09256	4.3
225.12695	6.1
227.10742	5.8
227.20197	4.0
229.10243	4.9
229.12280	11.9
230.10902	4.8
231.10033	6.4
231.11943	6.1
231.13818	39.8
233.13243	5.3
235.14937	6.5
237.12802	7.5
239.10658	6.2
241.12263	22.6
243.10056	9.9
243.13844	7.4
245.11649	9.8
245.15424	6.2
246.14050	5.0
247.11250	7.9
247.14867	10.0
251.14201	4.5
257.13336	5.5
258.10330	3.8
259.10956	5.0
259.13205	39.2
261.12704	10.1
262.09979	4.1
264.15497	3.9
269.13181	10.1
270.13873	4.9
271.10995	4.1
272.11948	4.1
273.12509	6.6
275.14297	5.3
281.12894	6.1
283.11111	8.5
283.14658	8.1
284.15536	4.9
285.12674	6.4
285.16385	5.9
286.13498	6.1
287.14267	11.5
289.15787	4.8
297.12753	11.4
299.14240	9.0
301.15927	8.4
305.15421	4.8
311.14258	10.6
312.15112	9.9
313.15814	11.6
315.17328	6.7
316.18100	5.1
317.19028	11.0
327.13721	4.2
327.17386	16.0
329.15460	9.8
331.16776	5.1
341.15268	5.2
341.19122	13.4
343.16879	4.7
345.18405	13.2
347.16473	5.0
351.09708	6.2
353.19025	8.7
357.18317	9.0
359.19931	13.4
369.18344	22.3
370.19418	4.6
371.20087	6.9
375.19382	12.2
375.23456	6.4
377.21185	21.1
387.19653	76.1
393.24203	12.7
401.20969	4.9
405.20630	65.4
423.21661	7.9
447.21793	9.2
465.22852	26.4
533.25018	5.5
551.26379	8.4
567.29547	7.0
575.23413	4.6
635.31934	13.2
653.30237	13.6
653.40967	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	653.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56211	0.6
67.05488	0.9
69.07050	0.6
70.33244	0.5
75.57435	0.6
80.34213	0.6
81.07072	0.9
82.67985	0.6
91.05467	0.7
93.07063	0.7
105.07047	0.7
133.25429	0.6
141.32816	0.5
171.77278	0.5
180.34058	0.5
189.76767	0.5
199.88080	0.6
275.82208	0.6
321.13113	0.6
377.17749	0.7
380.30627	0.6
389.18527	0.7
390.18674	0.8
391.19202	3.9
392.19913	1.6
403.20227	0.6
404.20187	1.0
405.20700	7.6
406.21582	5.5
407.22543	1.1
419.22534	2.7
420.23145	5.5
421.23898	9.3
429.20993	0.9
432.23306	0.8
433.19492	3.4
434.24536	1.6
435.17789	1.1
436.18924	2.0
445.20520	2.0
447.21820	1.2
449.19708	0.9
450.20941	1.7
451.21381	1.0
452.22186	2.2
459.17227	0.6
460.22812	1.4
463.22168	0.7
465.22879	33.1
466.23492	0.7
473.19675	2.4
478.23792	1.2
479.24445	6.3
480.25195	3.5
487.21103	1.6
488.22089	3.5
491.20468	0.9
492.21500	1.7
501.22903	1.4
503.24457	38.7
504.24945	1.0
505.22522	0.9
507.27359	2.5
535.27081	25.7
551.26575	3.7
561.25165	1.9
566.29321	1.2
579.26062	28.3
580.26331	0.7
594.28387	9.7
621.27118	11.1
653.29718	100.0
654.29828	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	653.2974
Annotation	Haplophytine
Peak:m/z	Relative Intensity
57.07077	1.0
66.10145	0.7
67.05509	1.0
68.24831	0.7
79.05489	1.7
80.30742	0.8
81.07067	1.2
82.02446	0.8
83.08591	0.9
90.40159	0.9
91.05580	1.1
95.08609	1.1
102.31089	0.8
107.08584	0.8
119.50812	0.9
140.14038	0.8
162.56187	0.8
195.09125	1.2
197.10822	2.2
209.10760	2.7
210.07945	1.1
210.11536	1.4
211.12358	2.5
221.10812	0.9
222.11534	0.9
223.08769	1.0
223.12390	3.5
224.13153	3.3
225.13995	2.6
229.09361	1.0
237.10440	1.0
237.13908	2.5
239.08194	1.1
239.15521	2.3
251.11920	1.0
264.61288	0.9
266.14243	1.2
296.28738	0.8
304.15823	1.1
334.57999	1.0
390.18723	0.9
393.20761	1.4
401.17673	1.4
403.19547	1.7
405.20996	1.5
419.22620	1.3
421.20508	2.9
429.20901	1.5
433.44440	0.8
434.17255	0.9
435.17963	1.1
445.20029	1.6
447.21857	0.9
449.19696	2.0
457.20074	2.2
459.22559	1.3
463.21613	1.8
464.22034	1.5
473.23593	2.6
474.20993	0.8
479.24829	5.4
487.21561	4.9
489.22995	2.8
490.20236	1.4
491.20969	2.6
500.22449	2.4
501.18817	2.4
501.23358	2.4
503.21005	1.1
503.24570	0.8
507.27728	2.8
514.20490	1.0
517.22314	1.9
519.24292	4.5
522.26202	1.5
523.27802	1.1
528.21460	1.8
529.22241	1.4
532.24811	3.1
533.25208	1.7
537.24939	1.7
541.35254	1.1
543.23883	1.5
545.22046	1.3
551.26624	17.4
560.24390	12.5
561.24982	2.1
565.28418	3.0
566.28967	8.0
573.21423	1.4
575.26642	31.8
588.23755	6.8
593.28497	1.3
603.26111	7.1
621.27185	3.8
635.28656	61.5
636.28827	1.4
653.29736	100.0
654.29956	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	653.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.9
55.05466	0.7
67.05472	0.8
70.74233	1.4
70.74589	0.9
79.05447	1.0
81.06979	0.7
83.04910	0.7
91.05433	1.6
93.07015	0.8
97.06528	0.7
118.06509	1.2
120.08093	0.8
191.04555	0.7
196.09776	0.8
197.10815	0.8
207.09084	1.1
208.09821	1.1
209.10635	2.0
210.11443	1.8
211.12241	1.8
221.10672	1.9
222.11459	1.0
223.08612	1.2
223.12308	2.7
224.13086	1.1
225.10155	0.8
225.13875	5.4
226.14644	1.7
234.08083	0.9
234.11517	1.0
235.08679	1.3
235.12273	1.1
237.10205	1.2
237.13808	3.3
238.14626	1.1
239.15369	1.3
247.08656	0.9
247.12225	0.7
249.10190	3.2
249.13782	1.6
251.08255	1.1
251.11646	0.7
275.15433	1.0
277.09766	2.0
309.12814	0.8
310.13373	0.9
326.12875	1.1
329.50754	0.9
337.11917	2.1
338.12802	1.8
351.13461	1.1
366.16360	1.1
382.15753	1.0
389.17807	1.1
394.15503	0.8
396.13107	1.0
400.17523	0.8
401.18213	1.1
402.18887	0.8
403.19434	1.0
415.15625	2.2
416.15729	1.3
417.16287	1.1
417.20868	2.2
429.16937	3.7
430.17950	2.8
431.18558	3.1
431.22974	2.3
443.18912	2.3
444.19565	2.4
445.20544	4.1
446.20996	2.9
447.21942	3.9
454.17575	2.7
457.16162	1.5
459.22583	6.4
460.22775	1.0
471.18240	1.1
473.19232	1.0
474.20044	1.5
475.21237	2.0
487.21423	11.2
488.22482	1.4
501.22791	6.2
502.19861	1.0
503.20947	2.2
515.20776	2.5
517.22614	1.2
518.23859	0.9
519.23846	2.8
529.22363	4.8
533.25787	5.1
534.23370	1.3
547.23560	1.9
561.25018	97.2
562.25330	2.8
589.24487	8.8
593.27698	1.4
603.22388	3.2
621.27142	100.0
622.27777	3.8
653.28192	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30424	0.3
55.29674	0.3
58.58725	0.3
65.86179	0.3
67.05441	0.6
67.45443	0.4
76.91264	0.3
78.80725	0.3
79.05403	0.4
81.06995	0.4
93.07009	0.4
94.06485	0.4
118.06491	0.7
120.08009	0.7
131.08475	0.3
138.05418	0.7
158.09456	0.4
168.08034	0.5
172.03888	0.6
183.09058	0.5
194.08124	0.6
195.09103	0.5
196.09811	0.7
197.10568	0.8
204.06573	0.5
207.08960	0.5
208.09805	1.0
209.10609	1.5
210.11478	1.6
211.08667	0.3
211.12276	1.6
212.12953	0.6
215.64619	0.3
220.09926	0.6
221.10701	1.8
222.11418	1.0
223.08618	0.6
223.12292	3.1
224.12964	1.0
225.09915	0.3
225.13884	4.4
226.14656	1.6
233.10646	0.6
234.11203	0.5
235.08501	1.2
235.12114	1.2
236.12930	0.4
237.10139	1.2
237.13835	2.7
238.14563	0.6
239.11816	0.4
239.15257	1.1
247.08496	0.5
247.12375	0.5
248.09331	0.5
249.10294	2.3
249.13692	1.5
250.10915	0.9
251.08061	1.1
251.11610	1.1
253.13347	0.5
263.08102	0.5
263.11697	0.8
264.12418	0.3
265.09714	0.7
265.13156	0.7
269.12692	0.4
275.15341	0.8
276.16205	0.4
277.09567	1.4
279.11020	0.4
286.13461	0.5
293.09152	0.4
298.13290	0.5
299.14481	0.5
300.14737	0.5
303.07529	0.4
304.96033	0.4
305.09152	0.5
309.12451	0.5
310.13275	0.5
311.13855	0.5
312.11368	0.4
312.14844	0.6
314.13126	0.6
314.16492	0.4
322.13443	0.5
323.10425	0.5
324.14957	0.7
325.11996	0.7
326.12729	0.9
326.16345	0.5
336.11392	0.8
337.11929	2.0
338.12814	1.6
339.13837	0.6
340.14532	0.8
341.11530	0.4
350.12735	0.5
351.13641	0.8
352.14374	0.8
354.12161	0.9
354.16040	0.7
366.15933	1.6
368.13956	0.7
370.15591	0.4
374.15353	0.5
379.12985	0.4
380.13998	0.6
381.10593	0.5
382.15607	0.8
387.15909	0.5
388.16809	0.4
389.17993	0.4
394.15414	1.0
395.12305	0.4
396.13358	1.3
397.14044	0.4
399.16794	0.6
400.17651	0.7
401.13153	0.5
401.17697	1.3
402.18442	1.2
403.19092	1.2
411.15811	0.6
412.16595	0.5
414.14313	0.5
415.15308	1.2
415.19489	1.2
416.16125	1.2
416.20633	0.6
417.16400	1.0
417.20850	1.7
418.17337	0.7
424.12723	0.5
426.18091	1.0
427.19193	0.4
428.16458	0.4
429.16989	2.8
430.18036	1.3
431.17786	3.2
431.23071	1.2
432.19189	0.8
433.20227	0.9
435.21970	0.6
440.16473	0.6
443.19183	1.7
444.19580	2.0
445.20218	4.2
446.20865	3.6
447.21933	3.4
454.17673	1.7
457.15723	0.7
457.20810	0.6
458.21060	0.8
459.22610	5.7
460.22549	1.2
461.23651	0.8
471.18069	1.4
472.18909	1.5
473.18970	1.2
473.24139	1.1
474.19263	1.7
475.21277	3.1
476.21848	0.6
486.22946	0.4
487.21442	11.2
488.21863	1.4
489.23157	0.6
491.20978	0.4
499.91409	0.4
500.18466	0.6
501.23074	5.4
502.20325	1.1
502.23007	1.0
503.20755	1.2
504.21484	0.8
515.20776	2.7
516.22125	0.7
518.23364	0.9
519.24158	4.7
521.25543	0.7
529.22491	4.8
531.20361	1.2
532.24481	0.5
533.25848	4.1
534.22870	1.3
535.22955	0.7
546.22815	1.2
547.23279	2.2
561.25012	86.7
562.25214	3.1
579.25110	0.4
589.24524	7.9
592.26404	2.1
593.30396	0.8
621.27130	100.0
622.27625	3.7
635.26593	0.7
653.31403	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	653.2973
Annotation	Haplophytine
Peak:m/z	Relative Intensity
55.05506	1.1
67.05502	3.5
68.44525	0.6
69.07081	0.9
69.35715	4.8
79.05504	1.4
81.03439	0.8
81.07060	2.4
83.04967	0.8
91.05476	1.7
93.07062	1.7
95.04977	0.6
95.08604	1.9
105.07025	1.1
107.08611	1.2
109.10170	2.2
117.06991	0.8
119.08632	1.1
120.08125	2.3
121.10120	0.7
131.08601	0.8
133.10139	0.7
134.05968	0.8
138.09161	0.5
144.08064	0.6
145.10132	0.8
145.41931	0.5
146.06001	0.6
159.11740	0.6
169.10205	0.8
171.11610	0.6
195.09100	0.6
204.06583	1.0
209.10751	1.5
210.11382	0.6
221.10915	0.8
223.12256	0.7
227.11823	0.8
235.08723	0.7
237.10237	1.6
237.16331	0.6
249.10301	1.4
251.11934	1.4
253.13399	1.1
259.59641	0.5
261.10468	0.6
265.09872	0.7
267.11029	0.7
277.09543	0.7
279.11230	0.8
293.12994	0.6
311.14059	0.8
312.11502	0.9
312.14981	0.9
314.13062	0.8
324.14685	0.6
325.12045	1.2
326.12967	1.3
326.16565	0.7
328.14630	0.9
337.12122	1.7
338.13028	1.3
340.10873	0.7
340.14627	1.8
352.14453	1.4
353.15372	1.2
354.12320	1.0
354.16208	1.2
356.13904	1.2
368.13971	1.4
369.14578	1.3
370.15741	0.7
380.13953	0.9
386.14902	1.4
387.16254	0.7
388.16809	0.7
389.17526	1.2
390.18738	0.8
394.15656	0.7
396.13330	1.3
398.14926	0.8
401.17868	0.8
402.18738	1.1
403.19153	2.1
405.20792	2.1
410.15042	0.6
415.15234	1.2
416.16257	1.3
417.17032	2.2
417.21292	1.7
418.17850	1.6
419.18039	0.8
419.22787	1.2
420.23257	5.7
424.12573	0.7
428.16168	1.2
429.16751	0.9
430.17853	1.9
431.18582	4.4
432.19568	2.4
433.20132	5.5
435.21921	0.7
442.17892	0.8
443.18805	1.0
444.19492	1.2
445.20267	2.0
446.21118	7.8
447.22055	5.0
448.22791	6.2
449.19638	0.7
459.17337	1.4
459.22189	1.8
460.23184	0.7
461.24350	0.9
471.18027	1.3
472.18491	0.7
473.19748	1.9
474.20581	1.2
475.21130	2.1
476.22064	1.0
477.22708	1.0
484.14661	0.7
486.20386	1.4
487.21478	1.7
488.21976	0.7
491.20569	1.2
501.22620	1.1
503.20517	1.4
504.21518	0.7
505.22131	1.3
516.17944	0.6
517.23077	0.9
518.22931	1.7
519.24408	3.4
529.22211	0.9
533.25775	7.4
534.26563	3.4
535.23267	1.1
546.22528	3.5
547.23309	0.9
561.25092	30.0
562.25604	1.8
563.26477	3.5
565.27649	1.6
575.23444	0.7
579.25317	1.0
589.24811	5.0
593.27655	24.3
594.27716	1.1
621.27155	100.0
622.27686	7.0
623.27753	0.7
635.24640	1.1
653.29834	42.6
654.29828	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
67.05508	1.0
67.16218	0.7
69.32137	6.1
79.05494	1.0
81.07032	1.4
91.05460	0.7
93.07041	0.9
104.05016	1.2
106.06535	0.9
109.10112	0.8
113.04398	0.7
118.06526	0.9
120.08138	0.8
134.05998	3.6
152.84718	0.8
159.73425	0.8
178.05038	4.6
195.09148	1.1
196.09950	0.9
197.07031	0.8
197.10727	1.5
198.11507	0.8
207.09148	1.1
209.10669	2.3
210.11450	1.9
211.08617	0.9
211.12326	1.4
221.10829	1.4
222.11482	1.5
223.08638	1.5
223.12231	2.5
225.10283	2.0
225.13818	4.2
226.14531	1.3
235.08617	1.6
235.12338	2.0
236.09357	0.8
237.10199	2.1
237.13895	2.3
239.15364	1.1
247.12361	1.0
249.10204	2.3
249.13863	1.4
251.08076	1.6
253.13376	1.3
263.08240	1.2
265.09555	1.1
265.13147	0.9
274.13232	0.8
275.08130	2.6
275.15448	1.3
277.09628	2.3
279.11218	1.0
297.12485	0.9
303.07587	1.6
305.09360	1.2
309.08737	1.0
312.14996	1.0
314.12866	1.1
323.10291	1.1
324.11218	0.9
324.15045	0.9
325.12247	1.6
326.13034	0.9
328.10800	0.9
328.14334	1.5
333.04666	0.9
336.11322	1.1
337.12024	3.1
338.12888	2.1
340.14453	1.1
347.86816	0.8
351.13580	1.0
352.14471	1.5
353.11386	1.8
354.12311	1.9
354.16238	1.2
355.12842	1.0
364.10635	1.1
366.12192	1.3
367.13150	1.5
368.13937	1.4
370.15686	1.0
380.13916	1.9
382.15784	1.1
388.16736	1.7
394.11276	1.1
402.18506	1.4
403.14996	1.9
408.13467	1.5
415.15091	2.0
416.16144	2.7
417.16492	1.5
417.21313	1.4
428.16028	1.0
429.17078	3.1
430.17896	1.7
431.18204	4.7
432.19211	1.9
433.20264	1.8
443.19098	2.1
444.19928	1.1
445.20471	4.0
446.20932	3.5
447.22009	4.8
458.16696	1.3
459.22598	5.9
460.22598	1.4
464.21585	1.4
471.18051	1.5
472.18942	1.1
473.19696	2.4
475.21527	3.6
476.22214	1.1
486.16425	1.2
487.21774	9.3
488.22217	0.9
491.20770	1.8
496.15140	1.0
501.22659	2.9
502.20285	1.6
503.20538	1.4
515.20770	2.9
519.23480	2.8
529.22003	1.8
531.20355	1.6
533.24750	3.2
534.22443	2.2
543.20081	2.2
547.23358	3.2
550.24255	1.3
559.23785	4.1
561.25037	73.0
562.25067	3.3
571.19836	2.1
589.24805	6.9
593.24152	4.1
603.22375	46.5
604.22186	1.2
621.27130	100.0
622.27313	4.7
635.25159	5.3
653.28271	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.297
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54429	1.5
69.54848	1.1
71.63618	0.4
74.16103	0.4
87.79079	0.4
94.06497	0.6
95.95338	0.4
118.06458	0.9
120.08028	1.4
146.05930	0.4
172.03893	0.7
194.08112	0.9
194.09697	0.7
195.09151	0.8
197.10689	1.0
204.06496	0.7
207.09126	0.8
208.09785	0.6
209.10609	1.6
210.11415	1.8
211.08656	0.7
211.12170	1.0
212.12962	0.5
220.09717	0.7
221.10658	2.0
222.11389	1.5
223.08534	1.0
223.12306	3.3
224.13025	1.0
225.13875	5.4
226.14479	0.7
233.10654	0.8
234.11551	0.6
235.08636	1.5
235.12181	1.6
236.09427	0.8
237.10109	1.4
237.13878	3.7
238.14507	1.3
239.15381	1.1
247.12242	1.0
249.10210	3.0
249.13869	1.5
250.10954	0.7
251.08090	1.0
251.11688	1.3
252.12451	0.5
263.08127	0.7
265.09702	0.9
265.13379	0.9
269.12988	0.6
275.15286	1.0
276.16098	0.5
277.09576	1.5
281.09122	0.5
281.12662	0.5
286.13586	0.5
293.09232	0.7
298.13358	0.6
309.12335	0.7
310.13495	0.6
312.15076	0.6
314.12933	0.8
324.11420	0.7
324.14944	0.9
326.12949	0.8
327.13687	0.5
335.10272	0.8
336.11325	0.8
337.11804	2.1
338.12787	1.2
338.16437	0.6
339.13593	0.5
340.14343	0.6
342.16064	0.7
350.12695	0.9
351.13895	0.8
352.14386	1.3
354.12405	0.5
354.16251	0.5
356.13834	0.6
356.17770	0.7
366.16104	1.7
368.13837	0.7
381.11093	0.5
382.11319	0.8
382.15622	0.6
387.16077	0.6
388.17148	0.6
389.18033	0.5
394.15192	1.3
396.13293	1.2
397.13846	0.8
399.16370	0.6
401.13345	0.6
401.17773	1.3
402.18512	1.5
403.19107	1.6
411.15833	0.7
412.16699	0.9
414.14749	0.6
415.15454	1.8
416.16104	1.5
417.16342	1.2
417.20883	2.1
418.17365	0.7
418.22137	0.6
428.16782	1.3
429.17230	3.9
430.17996	2.3
431.17633	4.1
431.22870	2.0
432.19281	0.9
442.18817	0.6
443.18967	2.3
444.19772	2.1
445.20630	3.8
446.20807	3.7
447.21899	4.3
454.17606	2.6
456.15805	0.6
457.16257	1.1
458.16751	0.7
459.22482	6.6
460.22394	1.3
461.23236	0.6
471.17566	2.0
472.18887	1.7
473.18951	1.2
473.24045	1.1
474.19766	2.3
475.21304	3.4
486.20462	1.3
487.21487	12.8
488.22324	2.1
489.23035	1.0
491.20749	0.8
501.23181	4.1
502.20538	0.8
503.20966	1.7
504.21387	1.1
512.21881	0.5
515.20734	2.6
517.22455	1.1
518.22784	0.8
519.24280	3.0
529.22455	3.7
531.20392	1.4
533.25842	4.9
534.22388	1.6
546.22729	0.8
547.23383	1.8
561.24988	97.5
562.25372	4.0
589.24451	8.2
593.27411	0.7
621.27106	100.0
622.27356	4.4
653.29620	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98827	0.3
61.57442	0.3
70.75267	0.7
81.06970	0.3
90.12910	0.3
91.05408	0.4
93.06995	0.4
94.06495	0.5
95.08549	0.3
102.55827	0.3
106.06525	0.3
118.06435	0.3
120.07999	0.7
134.05960	0.3
136.47049	0.3
143.79784	0.3
144.04362	0.3
144.07964	0.3
158.09511	0.5
164.71559	0.3
172.03799	0.5
195.09030	0.7
196.09889	0.6
197.10698	0.8
207.09116	0.6
208.09834	0.4
209.10713	1.4
210.11436	1.8
211.12219	1.3
221.10638	1.4
222.11421	0.8
223.08620	1.0
223.12251	2.1
224.12933	1.4
225.10210	0.6
225.13872	4.2
226.14490	0.9
227.08717	0.4
227.11612	0.3
233.10561	0.7
234.11406	0.3
235.08577	1.1
235.12320	1.4
237.10071	0.9
237.13901	2.7
238.14517	0.4
239.11775	0.5
239.15302	1.2
247.08455	0.5
247.12263	0.6
248.09534	0.4
249.10204	1.9
249.13762	1.2
250.11020	0.6
251.08052	0.8
251.11708	0.5
253.13379	0.5
263.08130	0.4
264.08636	0.4
264.12369	0.4
265.09641	0.7
265.13379	0.4
269.12842	0.6
270.13583	0.5
271.12134	0.5
275.08173	0.4
275.11575	0.4
275.15512	0.5
276.16019	0.5
277.09628	1.2
293.09149	0.5
299.14301	0.4
301.12332	0.4
307.10501	0.4
310.13406	0.4
314.12830	0.7
314.16217	0.4
316.14728	0.5
325.12158	0.4
326.12817	0.7
326.16339	0.4
328.14474	0.5
335.10284	0.8
336.11441	0.5
337.11880	1.9
338.12753	0.8
338.16513	0.5
339.13480	0.4
341.15222	0.4
342.15872	0.8
351.13535	0.6
352.14328	0.8
354.12143	0.5
354.15988	0.7
356.13980	0.4
363.09512	0.4
366.15897	1.1
368.14014	0.4
370.15436	0.4
382.15619	0.6
387.15887	0.5
394.15466	0.7
396.13348	0.8
397.14169	0.4
401.17725	0.9
402.18558	0.7
403.19229	1.2
404.16922	0.4
413.18396	0.3
414.14166	0.5
414.19110	0.4
415.15433	1.2
415.19946	0.6
415.82602	0.3
416.16068	1.0
416.20380	0.8
417.16745	1.0
417.20868	1.2
418.17792	0.7
426.18524	0.7
427.15753	0.4
428.15866	0.8
429.16837	2.6
430.17776	2.0
431.17966	3.1
431.23065	1.0
432.19498	1.2
433.19696	0.4
440.15698	0.4
443.18774	1.8
444.19876	1.7
445.20313	3.2
446.20993	3.8
447.21826	4.1
454.17487	0.8
455.18405	0.6
456.15927	0.4
457.16614	1.1
458.21146	0.6
459.22528	4.4
460.23019	1.7
463.21158	0.4
470.17944	0.4
471.18176	1.3
472.18781	1.3
473.19409	1.4
473.24164	1.0
474.19449	1.6
475.21341	3.0
476.22272	0.8
486.20612	0.5
487.21542	9.8
488.22006	1.7
489.23050	0.5
491.20105	0.8
499.16849	0.5
501.23062	4.4
502.20465	1.0
502.23178	1.1
503.20779	0.7
504.21686	0.7
505.26154	0.5
507.13617	0.3
515.20892	3.3
516.23206	0.4
517.26093	0.4
518.22968	0.7
519.24182	3.8
520.24426	0.5
529.22375	4.0
531.20410	1.2
532.21851	0.6
533.25684	3.5
534.22675	2.1
543.23932	0.4
546.22668	1.1
547.23425	2.8
561.24976	64.2
562.25317	1.9
565.27319	0.4
589.24561	6.1
593.27490	0.9
607.25342	0.3
621.27094	100.0
622.27588	3.1
635.25793	0.4
653.29572	2.6
675.70142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.05515	61.2
55.05787	3.0
62.18728	1.1
65.03957	1.6
67.05510	6.0
69.03414	2.2
69.07056	1.3
69.44090	3.0
69.44489	8.9
71.04984	1.4
79.05500	6.3
81.07061	5.5
82.62379	1.3
83.04987	100.0
84.37919	1.4
91.05485	12.3
93.07044	5.8
95.01321	2.2
95.04973	4.7
95.08652	2.0
97.06540	2.5
98.21461	2.4
98.95329	1.2
103.05461	8.3
105.03390	3.8
105.07035	15.9
107.04954	3.5
107.08607	5.2
109.06489	2.9
109.10195	2.2
115.05428	7.3
116.06200	1.4
117.07008	7.5
119.04967	2.0
119.08592	13.6
121.06538	2.6
121.10130	2.9
123.95827	1.3
128.06213	4.0
129.06998	5.4
131.04929	11.5
131.08588	8.8
133.06490	13.1
133.10110	10.2
133.22891	1.3
135.08034	2.3
141.06958	4.0
142.07742	3.1
143.04921	2.5
143.08603	9.8
145.06499	7.9
145.10146	7.8
147.08052	10.6
147.11697	2.0
149.05910	1.7
149.09619	5.3
153.07025	2.8
154.07770	2.1
155.08571	10.2
156.09361	7.2
157.06497	3.2
157.10165	14.7
159.04462	2.4
159.08113	7.0
159.11710	4.9
161.05989	23.2
161.09644	5.1
163.07547	1.8
163.11154	3.6
165.06984	2.9
165.09055	2.6
167.08595	2.4
168.09331	1.6
169.06447	2.3
169.10117	11.2
170.10950	4.4
171.08037	8.5
171.11696	23.3
173.04677	1.6
173.05981	9.6
173.09604	10.8
173.11862	1.7
173.13266	1.8
175.07567	16.4
175.11166	1.9
177.05449	2.0
179.08543	3.5
181.06471	2.1
181.10124	3.9
183.08040	4.3
183.11737	21.2
185.05974	1.7
185.09619	7.9
185.13264	18.8
187.07587	3.8
187.11208	4.5
189.05437	9.8
189.09164	1.7
189.43115	1.3
193.10149	3.4
195.08122	2.5
195.11707	5.5
197.09599	6.1
197.13269	4.6
198.10425	2.3
199.07515	5.0
199.11214	9.9
201.09099	4.1
201.12761	3.4
203.10677	1.7
205.10239	2.0
205.12163	1.9
207.11699	3.7
209.09698	3.3
211.11188	6.4
213.09145	4.6
213.12695	20.6
215.08705	1.7
215.10574	2.3
216.09418	1.3
217.12201	1.9
219.08006	1.4
219.11783	3.1
220.12372	1.4
221.13374	1.9
223.07506	2.1
223.11200	3.0
225.09105	2.7
229.10306	1.7
229.12302	4.5
230.10925	1.9
231.11836	2.1
231.13799	2.8
234.14021	1.4
237.12706	1.8
239.10689	1.8
241.12251	2.8
243.09836	1.8
243.11833	1.9
243.13824	4.1
244.12605	2.4
245.15378	11.2
246.10320	1.9
247.11259	2.1
247.14822	1.7
251.10648	2.3
254.11166	1.7
255.11636	2.6
255.13954	1.9
256.12405	3.1
257.11493	1.9
257.13513	2.2
258.10376	2.2
258.14127	2.7
259.11066	2.2
259.15054	1.7
261.12607	2.3
262.13531	1.4
269.13220	4.5
270.10349	2.1
270.14084	3.8
271.14896	3.9
272.12012	1.4
272.15845	1.3
273.14859	9.5
274.13431	1.8
281.13153	2.1
283.11356	3.0
283.14853	2.7
284.11996	2.3
284.15494	2.5
285.12729	5.1
285.16357	6.1
286.13382	1.7
287.14291	2.3
289.12140	1.6
297.12628	4.1
297.16055	1.9
298.13510	3.7
299.14359	3.7
299.17865	2.9
300.14996	1.7
301.12491	2.0
301.15833	2.8
303.17526	3.2
311.10574	2.0
311.14258	1.9
312.15134	3.2
313.12311	2.8
313.15503	6.1
314.16653	1.8
315.13721	3.5
315.17261	3.2
317.15234	4.2
317.18753	2.3
325.12274	1.7
326.12961	2.1
327.13779	2.2
327.17422	4.1
328.14606	1.7
329.15302	5.7
330.16302	1.8
331.16934	10.5
341.15237	10.3
343.13312	1.7
343.17014	7.1
345.14798	1.5
345.18262	6.3
355.16809	8.2
357.18463	1.7
359.16342	8.4
361.18069	1.8
371.16385	2.8
373.17999	12.5
383.16284	3.2
387.19562	4.3
389.17148	1.8
391.19061	3.2
401.17560	7.6
403.18991	5.1
405.20734	11.8
415.18857	13.2
416.19543	1.4
419.18585	2.6
421.20236	1.7
433.20187	21.9
451.21201	3.6
455.22009	1.6
475.20935	1.4
493.22104	8.0
511.23029	2.5
553.24030	7.8
554.44806	1.4
653.29053	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	653.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01866	1.7
55.05514	67.2
67.05519	1.8
69.87251	3.2
69.87666	4.9
79.05476	3.9
81.07056	3.9
83.04984	100.0
91.05471	12.2
93.07037	6.4
95.04932	3.5
95.08609	3.5
103.05475	14.4
104.05811	3.0
105.07037	13.6
106.07291	1.6
107.05000	1.4
107.08584	6.2
109.06513	1.7
115.05476	9.4
117.07029	11.7
119.04929	7.2
119.08583	15.7
121.06508	3.5
121.10117	3.2
123.08063	2.0
128.06219	4.9
129.07013	10.8
131.04012	2.5
131.04929	28.5
131.08588	11.2
132.05254	5.6
133.06494	6.9
133.10130	12.0
135.04405	1.6
135.08051	5.5
141.06984	4.2
142.07748	5.0
143.04913	4.2
143.08557	13.0
145.06534	7.2
145.10132	12.6
147.08043	7.3
149.09663	6.7
150.09760	1.8
153.06934	3.0
154.07779	3.7
155.08540	11.8
156.09358	8.5
157.06491	3.8
157.10130	15.3
159.08080	7.3
159.11676	5.0
161.05978	22.3
161.09674	7.4
163.07494	3.3
165.06992	2.9
165.09114	4.2
167.08545	3.4
168.09380	3.2
169.06343	1.6
169.10130	14.2
170.10872	5.8
171.04509	1.9
171.08055	9.2
171.11702	32.8
172.08798	1.9
173.05997	6.7
173.09628	7.5
173.13315	2.0
175.07545	4.3
175.11157	2.4
177.05469	1.9
177.09142	3.1
178.07933	1.8
179.08588	3.4
181.10187	4.3
183.08055	4.4
183.11699	28.3
184.08835	1.6
184.12144	2.1
185.09654	8.0
185.13251	27.1
186.13605	2.2
187.07550	3.0
187.11171	5.6
189.05408	11.0
189.08888	1.8
193.10143	6.1
194.10847	2.0
195.08017	2.6
195.11713	7.6
197.09557	7.4
197.13290	5.6
198.10355	4.0
199.07571	2.7
199.11165	9.8
201.09053	4.6
201.12691	3.7
205.10237	3.2
205.12077	3.0
206.10837	2.6
207.08139	2.4
207.09982	2.0
207.11676	5.2
209.09706	3.0
209.13226	2.4
211.11140	11.8
212.11551	1.6
213.09131	5.3
213.12755	24.9
214.13052	3.3
215.06979	2.4
215.10561	2.6
216.09212	2.1
217.10277	3.1
219.11710	4.3
221.13246	3.8
223.11150	2.6
225.09077	3.3
227.10580	2.8
229.10062	4.9
229.12251	7.0
230.10851	3.4
231.08122	2.1
231.09877	2.3
231.11726	5.2
231.13774	2.5
232.12456	2.1
233.13280	3.0
234.10406	1.6
235.11171	1.6
236.15059	1.8
237.09160	1.7
237.12506	2.0
239.10803	2.3
241.10173	2.9
241.12234	4.1
242.10889	4.4
243.11626	5.9
243.13837	10.3
244.12347	4.1
245.09581	2.4
245.11528	2.6
245.13403	2.2
245.15416	18.5
246.13672	1.7
247.11119	2.6
248.15515	1.9
249.12523	2.3
249.16304	1.8
255.11855	6.6
255.13841	3.5
256.12479	7.5
257.13483	7.9
258.13928	2.4
259.11130	1.8
259.14859	4.1
261.16473	2.1
263.14273	2.5
265.12308	2.2
265.15628	1.8
267.11670	4.2
269.13275	7.7
270.14026	7.7
271.14737	12.1
272.12228	2.1
272.15482	3.9
273.11267	6.0
273.14578	9.4
277.12274	2.9
281.13196	4.4
282.14053	3.2
283.14807	6.7
284.12109	2.6
284.15570	3.8
285.12955	3.0
285.16382	11.8
287.14334	3.1
287.17838	3.3
295.14664	2.7
297.12659	3.3
297.15958	3.1
298.13565	1.9
299.14255	6.3
299.17935	4.2
300.15030	1.9
301.12274	2.8
301.15918	3.3
301.19400	2.6
303.13684	3.8
303.17383	3.3
309.16348	3.0
311.14282	1.5
312.14886	1.9
313.12625	1.9
313.15802	9.3
314.16440	2.6
315.13840	3.4
315.17505	3.7
316.14505	2.2
317.15170	3.9
317.18823	1.6
318.15982	2.4
326.12885	2.1
327.13806	2.4
327.17386	7.0
329.15262	9.3
329.18652	2.5
330.15964	2.7
331.16885	13.5
341.15335	5.9
343.13257	2.0
343.16742	6.6
345.14957	1.7
345.18655	10.8
355.16910	11.5
356.17676	1.9
357.18372	3.6
359.16382	12.4
359.20020	2.5
360.17130	2.2
361.17859	1.9
369.20297	1.9
370.20828	2.0
371.16144	2.3
373.17993	15.0
383.16248	3.4
387.19623	4.7
389.21054	2.6
391.19034	3.6
401.17477	9.9
403.19003	6.4
405.20590	15.4
415.19070	7.7
419.18326	3.2
420.18906	1.8
421.20102	2.3
433.20154	28.4
434.20154	1.8
451.21106	6.5
452.21060	2.1
461.19565	1.7
469.22351	2.2
487.23468	2.4
493.22263	9.2
511.23093	1.9
553.24310	13.0
636.28387	2.3
653.28729	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	653.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07108	1.0
64.73357	0.9
68.64732	0.8
69.63158	5.2
74.55360	0.9
79.05497	1.2
81.07067	1.1
95.08627	1.1
96.42123	0.8
109.10242	1.1
198.11798	0.8
198.85735	0.8
222.77075	0.9
302.86972	1.0
445.19925	1.4
449.17953	0.9
458.20947	1.5
459.21808	13.0
460.22772	2.2
461.14069	1.2
463.20328	1.0
475.16473	1.1
476.16818	1.5
477.17307	1.9
490.18436	1.4
491.19052	8.3
492.19931	1.6
493.20554	1.7
507.22305	1.2
519.23608	2.3
541.38629	1.0
545.25482	2.1
547.27142	5.3
551.21021	11.1
563.20929	2.2
574.26483	1.1
593.25970	15.6
593.34705	1.7
606.28436	3.4
623.23334	1.7
652.46509	1.2
653.27997	100.0
653.46875	3.6
654.28247	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
54.15003	1.6
55.01867	2.4
55.05511	70.3
57.03436	3.1
65.03929	2.9
67.05508	14.9
69.03426	5.2
69.07072	2.1
70.57841	5.0
71.04971	2.2
77.03938	1.7
79.05494	15.7
81.03426	10.3
81.07064	14.8
83.04985	100.0
83.08617	3.9
85.02883	2.2
91.05474	25.8
93.07062	16.1
95.04953	9.8
95.08585	8.1
97.02894	2.5
98.21330	1.8
103.05471	25.3
104.05805	6.7
105.03394	3.2
105.07039	22.6
107.04954	4.2
107.08575	8.0
109.06535	2.1
109.10144	6.8
110.10384	2.1
115.05458	14.4
117.07034	13.8
119.04920	4.0
119.08560	18.4
120.08940	1.8
121.06497	5.6
121.10152	7.1
123.04388	2.0
123.08051	2.9
123.11713	1.9
128.06224	7.9
129.07014	11.0
130.07768	2.3
131.04021	3.0
131.04936	37.4
131.05841	3.4
131.08614	13.7
132.05254	8.3
133.06517	11.0
133.10114	13.0
135.08031	3.2
141.07022	4.9
142.07788	5.9
143.04903	4.3
143.08565	18.2
145.06474	7.5
145.10115	13.4
147.08046	7.6
147.11678	5.6
149.09599	5.2
153.07024	3.6
154.07733	2.9
155.08562	14.8
156.09325	8.0
157.06470	3.6
157.10144	23.6
159.08034	9.4
159.11652	6.3
161.05983	28.5
161.09634	7.3
161.13272	2.1
163.11200	4.4
165.07179	1.9
165.09059	3.5
166.07675	2.2
167.08577	6.0
168.09357	4.6
169.06458	2.2
169.10133	17.4
170.10855	5.5
171.08051	9.3
171.11665	29.2
172.08737	2.4
172.12018	2.6
173.05971	10.7
173.09624	12.0
173.13237	2.9
175.07523	5.5
177.05463	3.6
177.09058	4.6
179.08539	6.3
181.10083	6.6
183.08029	6.2
183.11708	30.1
184.08929	2.0
184.12329	2.7
185.09650	7.6
185.13260	21.4
186.13538	1.9
187.07538	3.9
187.11195	7.4
189.05478	12.1
189.09093	2.2
189.12801	2.8
193.10175	5.2
193.12051	2.1
195.08087	2.5
195.11668	7.0
197.09639	7.1
197.13225	6.3
198.10393	3.7
199.07478	2.9
199.11163	13.8
201.09082	5.0
201.12711	6.0
205.10226	3.6
206.10663	2.2
207.11746	3.6
207.13959	2.6
209.09581	3.5
209.13197	2.1
211.07668	2.5
211.11234	9.2
213.09134	6.7
213.12715	28.7
214.13135	2.1
215.08623	1.8
215.10608	3.7
216.09360	2.4
217.10242	4.3
217.12251	3.3
218.10789	3.5
219.11650	4.1
221.09550	2.8
221.13284	4.0
223.11171	2.7
225.09236	4.0
227.10664	3.7
229.10120	5.0
229.12241	5.5
230.10924	3.1
231.09973	4.1
231.13852	4.6
232.12416	2.8
233.13347	3.4
235.11053	3.6
235.14885	2.6
237.12695	2.4
239.10718	2.8
241.10194	3.4
241.12268	2.7
242.10985	5.2
243.11638	7.3
243.13846	8.2
244.12399	5.9
245.13220	7.5
245.15419	13.1
246.13980	3.2
247.11118	3.3
251.10611	3.6
255.11644	5.8
255.13969	3.3
256.12405	5.5
257.13562	10.5
258.13934	3.9
259.11047	3.7
259.15045	2.7
261.12628	3.8
267.11761	2.9
267.15930	4.5
269.13214	5.6
270.13992	8.7
271.15103	10.7
272.15540	3.9
273.11539	5.0
273.14694	13.0
275.14032	2.1
277.15771	1.8
280.12381	2.4
281.13046	3.3
281.17624	6.5
282.13959	4.2
283.11188	2.9
283.14722	6.8
284.11868	3.5
284.15494	2.9
285.12787	5.2
285.16394	9.1
287.10849	2.0
287.14420	4.2
287.17859	3.4
289.12003	2.7
289.15399	2.3
295.14777	3.1
297.12634	4.9
297.16260	4.4
298.13544	3.2
299.14191	5.4
299.17770	4.0
301.15875	2.7
302.13089	2.6
303.13675	4.0
311.17941	2.2
313.12381	2.5
313.15851	8.3
315.13687	4.5
315.17096	3.7
317.15274	4.7
325.15784	3.4
327.13815	3.5
327.17462	6.6
329.15567	8.4
329.18823	2.8
330.15945	3.6
331.13498	2.4
331.16983	13.1
340.14526	2.9
341.15244	7.3
343.16934	7.1
345.14746	3.5
345.18436	9.0
347.16354	2.5
355.16693	10.4
357.18503	4.0
359.16376	13.8
359.19800	2.7
361.18097	3.2
369.20663	6.3
371.16397	3.0
373.18060	16.3
374.18192	2.7
375.19592	3.8
383.16510	4.2
387.19507	5.0
389.21051	3.5
391.19055	3.3
398.26123	2.5
401.17392	10.3
403.19144	10.1
405.20715	12.8
415.19153	11.2
419.18588	3.8
421.19791	3.8
423.21667	2.2
424.27426	2.3
433.20169	28.6
434.20245	2.3
435.21094	2.9
451.21054	7.5
452.21271	3.7
456.30322	6.1
469.22021	3.4
470.22284	3.9
473.23190	2.0
473.29083	12.1
487.23199	4.0
493.22083	13.0
509.20917	4.1
533.25256	2.8
553.24426	12.7
567.22113	4.2
595.24792	5.3
635.28754	2.4
636.28693	3.4
653.25500	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	653.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	10.4
71.55978	1.3
74.43571	1.0
74.60583	0.8
83.04979	12.5
91.05477	2.2
93.07060	1.9
95.04967	1.1
96.82886	1.1
103.05481	3.6
105.07026	3.2
107.08590	0.9
117.07060	0.9
119.08559	2.5
131.04921	9.3
133.10153	1.1
143.08595	2.1
145.10219	1.7
146.33601	0.9
147.08054	1.0
156.09389	1.2
157.10168	1.7
161.06026	1.3
171.11761	2.5
183.11684	1.2
183.89259	0.9
213.12878	1.3
273.11142	1.6
386.22766	0.9
424.57465	0.9
614.22028	1.1
653.27502	100.0
654.27600	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	652.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.7
52.57146	0.7
53.03938	2.5
55.01878	1.1
55.05511	5.8
56.67254	0.7
57.03420	0.7
67.05505	9.7
68.99769	0.8
69.03432	1.2
69.07065	1.3
71.04984	1.9
71.55188	1.1
79.05485	3.1
81.07065	7.0
82.02957	7.3
83.04989	10.1
83.08611	1.0
85.02890	0.9
85.06542	0.9
91.05491	6.2
93.07052	4.6
95.04965	3.6
95.08621	2.3
97.06548	1.1
103.05476	54.1
105.03405	2.6
105.04510	1.1
105.07045	9.3
107.04967	0.9
107.08598	3.3
109.06525	1.6
109.10165	8.9
115.05439	2.0
117.07028	3.9
119.04922	0.7
119.08586	6.6
121.06525	1.0
121.10124	1.4
123.08102	0.7
128.06186	1.3
129.06992	2.1
130.07747	1.2
131.04938	100.0
131.08559	5.1
132.05214	1.6
133.06519	3.5
133.10153	6.4
135.08076	1.2
141.06979	1.3
142.07794	1.5
143.08586	6.2
145.06491	2.3
145.10129	4.5
147.08060	4.0
147.11729	0.8
149.09630	2.9
154.07834	1.1
155.08572	2.5
155.10657	0.7
156.09332	2.3
157.10156	9.7
158.10721	0.9
159.08102	2.9
159.11703	4.9
160.07497	0.8
161.05997	3.2
161.09676	2.5
162.09145	5.9
163.07571	0.9
163.11249	1.6
165.06999	0.9
167.08566	1.7
168.09404	0.8
169.10172	5.1
170.10851	3.4
171.08075	2.5
171.11693	13.6
172.12283	0.8
173.05994	1.9
173.09612	4.0
173.11847	1.1
173.13283	2.1
175.07561	3.4
175.11134	1.1
177.09079	1.2
179.08524	0.9
181.10062	1.5
182.50969	0.8
183.08131	1.7
183.11719	9.1
184.12192	0.9
185.09624	3.7
185.13275	11.4
187.07561	1.1
187.11195	3.4
187.14882	1.1
188.07095	1.1
189.05629	1.0
189.09151	1.2
189.12816	1.0
193.08615	0.9
193.10168	1.5
194.10901	1.0
195.11719	3.2
197.09659	2.4
197.13341	3.0
199.07613	1.7
199.11266	3.6
201.09129	1.4
201.12764	2.0
205.12271	0.9
206.10965	2.0
207.11768	2.1
208.12471	0.9
209.09737	0.9
209.13292	1.3
211.11218	2.6
213.09203	1.8
213.12724	10.2
214.12914	0.8
215.10835	1.1
217.12207	1.9
218.10815	0.8
219.11720	2.5
220.12367	0.9
221.09656	1.0
221.13252	1.1
222.13831	0.8
223.11227	1.3
225.12749	1.1
229.10278	1.0
229.12241	2.0
229.14449	2.4
230.10883	1.1
231.11778	1.7
231.13849	1.7
232.12524	1.0
233.13281	2.0
233.15395	1.1
234.13823	0.8
235.11320	0.9
235.14877	1.3
241.12318	1.4
243.11644	2.6
243.13937	1.7
244.12419	2.0
245.13177	2.6
245.15465	3.5
247.11157	1.3
247.15086	1.1
249.12862	1.4
249.16190	0.8
255.11708	0.8
256.12512	0.9
257.13235	1.7
258.14105	2.1
259.15021	1.6
260.11945	1.3
260.15369	0.8
261.12622	1.5
263.16653	1.0
265.12311	0.8
267.11554	1.1
269.13327	1.0
270.14145	1.4
271.15048	1.3
272.15387	1.2
273.14801	3.6
275.14053	1.2
283.11102	0.9
283.14774	0.9
284.11865	0.8
285.16330	2.0
287.14520	0.8
287.18304	1.1
289.16037	0.8
291.16113	2.9
299.17944	1.2
300.18280	0.8
301.12305	1.3
301.15756	1.1
301.20084	1.2
303.13983	0.9
303.17361	1.5
305.15237	0.9
317.15405	1.2
327.17542	1.6
329.15497	1.7
331.16922	3.2
341.15427	1.7
343.16913	1.5
345.18524	3.1
347.16437	2.1
348.17136	0.9
349.17975	2.1
355.17041	3.3
356.20236	1.7
359.16431	2.9
361.18103	1.5
363.19601	1.2
371.16553	0.9
372.20331	0.8
373.17880	4.2
374.21594	1.0
377.17566	2.4
384.19785	1.6
387.19635	0.9
389.17569	1.6
391.19049	3.7
397.25854	6.1
401.17450	3.3
402.20752	2.3
403.19366	1.3
405.20749	2.0
408.22073	0.9
415.18964	1.3
416.22635	0.8
419.18301	4.1
421.20239	1.8
423.21649	3.0
423.27576	3.0
433.20084	7.6
437.19583	4.1
439.21143	1.3
441.23117	1.3
451.21182	13.2
452.21539	1.1
455.20715	2.4
455.30072	10.3
469.22217	16.1
487.23541	5.4
488.34293	0.9
595.24603	1.2
617.27234	1.8
620.31982	1.2
635.28607	5.3
652.33759	1.0
653.25885	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	652.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84778	1.0
51.02384	1.1
53.03944	5.2
53.58357	1.0
55.05517	5.6
67.05171	1.6
67.05506	21.4
69.03415	1.5
70.06568	1.6
71.04987	4.9
71.55245	1.7
79.05488	6.2
81.07053	18.4
83.04984	3.8
83.08636	1.3
85.02922	1.7
85.06535	2.7
91.05499	9.4
93.07060	5.8
95.04961	6.8
95.08600	3.2
97.06557	1.6
103.05479	61.7
104.05786	3.2
105.03419	6.0
105.04533	1.8
105.07030	10.4
106.03771	1.7
107.04976	1.5
107.08585	5.5
109.06508	1.3
109.10156	20.2
111.08115	2.1
115.05401	1.9
117.07018	5.5
119.08573	10.3
121.06526	1.9
121.10130	2.8
123.04455	1.1
123.11694	2.7
124.12153	1.2
125.02406	1.3
129.06985	3.5
131.04936	100.0
131.08588	6.8
132.05246	7.7
133.05602	2.1
133.06445	5.3
133.10152	10.3
135.08073	3.4
135.11760	1.4
141.07005	1.4
142.07733	1.5
143.08566	5.5
145.06490	4.3
145.10141	5.4
147.08023	6.6
149.09644	4.2
151.11188	2.0
153.07036	1.7
155.08527	2.5
156.09317	5.5
157.06454	1.2
157.10147	11.1
158.10583	1.4
159.08047	3.8
159.11696	8.5
160.12047	1.2
161.05984	5.4
161.09651	4.3
163.07559	1.4
163.11205	1.5
165.07024	2.0
167.08562	1.8
168.09160	1.5
169.10147	6.6
170.10870	3.3
171.08076	1.4
171.11714	14.1
172.12053	2.5
173.06024	1.6
173.09639	3.4
173.11778	3.2
173.13319	3.5
175.07538	4.7
177.09132	1.7
179.07050	1.4
181.10103	1.9
182.10806	1.1
183.08060	2.1
183.11679	10.3
184.12070	1.7
185.09662	3.0
185.13280	9.9
186.13643	1.7
187.11205	5.0
189.05446	1.5
189.09163	1.4
193.08580	1.9
193.10168	2.7
195.11732	2.2
197.09682	2.3
197.13225	2.3
199.07434	1.9
199.11136	4.8
200.11638	1.5
201.12747	2.0
205.10115	1.8
207.11751	3.6
209.09723	1.8
209.13292	2.4
211.11192	2.5
212.11813	1.3
213.09142	1.8
213.12781	8.0
217.12172	1.3
220.12311	1.7
221.13213	3.3
223.14799	1.3
227.10713	1.8
229.12248	2.6
229.14371	5.7
231.09908	1.5
231.13831	3.0
233.13332	2.3
233.15378	2.4
235.11072	1.5
235.14857	1.6
241.12257	2.2
243.11623	1.4
243.13789	3.1
244.12395	1.7
245.13269	2.4
245.15457	4.6
247.14865	2.1
248.15346	1.2
255.13765	1.5
257.13199	2.3
269.13348	1.8
269.17273	1.2
270.13940	2.1
272.15610	1.6
273.14932	4.8
275.16470	1.4
285.16159	1.4
287.14218	1.6
291.15912	4.3
301.15793	2.3
301.19989	2.6
303.13797	1.4
303.17352	2.6
309.17108	1.6
313.12317	1.4
313.15857	2.1
315.17349	1.6
317.18753	1.5
331.16937	3.6
332.17371	1.6
337.18228	1.8
343.16656	1.8
345.18668	2.9
347.16367	2.7
349.17996	2.2
355.16833	1.9
356.17291	1.3
358.15311	1.2
359.16415	3.5
361.18008	4.0
363.19574	2.7
364.19797	1.5
365.17249	1.7
373.18018	6.1
377.17422	2.4
387.19623	1.6
389.17453	1.7
391.18875	5.5
397.25827	16.1
401.17395	4.1
403.19089	1.5
405.20514	3.3
407.18411	1.5
415.19019	2.3
419.18396	5.2
421.19995	4.8
423.21582	2.7
423.27411	8.2
433.20151	6.2
434.20450	2.1
437.19421	5.3
438.19824	1.7
439.20901	1.6
443.01587	1.2
451.21176	14.0
452.21756	1.9
455.20554	3.7
455.30087	22.8
469.22229	9.8
486.21506	1.4
487.23383	2.5
504.22339	1.5
603.25720	3.2
634.27258	1.6
635.28857	2.6
652.27460	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.0
53.03941	1.6
55.01873	1.5
55.05511	4.5
67.05502	2.0
69.07061	1.2
69.18032	8.8
77.03904	1.6
79.05491	3.7
81.07048	2.7
83.04977	5.8
85.80972	0.9
91.05482	8.7
93.07051	5.0
95.04966	3.5
95.08604	3.3
100.35120	0.9
103.05473	48.7
105.03397	6.1
105.07033	15.7
107.08617	4.7
109.06537	2.0
109.10117	1.7
115.03936	1.5
115.05437	2.8
116.06216	1.4
117.07023	6.9
119.08595	12.0
121.06494	1.8
121.10158	3.6
125.05919	0.9
128.06212	1.6
129.07010	4.0
131.04933	100.0
131.08559	7.5
132.05260	1.2
133.06488	6.4
133.10136	9.5
135.04376	0.9
135.08017	4.1
141.06985	2.4
142.07774	3.5
143.08575	8.4
145.06487	4.2
145.10141	7.9
147.08026	7.8
147.11650	1.4
149.06018	2.0
149.09624	4.0
151.07607	1.0
153.06923	0.9
155.08560	3.8
155.29260	1.1
156.09341	3.7
157.06511	1.5
157.10124	15.4
159.08011	7.2
159.11722	10.2
159.45639	0.8
160.76924	1.0
161.06010	8.0
161.09610	5.2
161.13177	1.1
163.07549	3.3
163.11185	2.6
167.08531	1.9
168.09340	1.9
169.10141	7.1
170.10890	5.0
171.08038	3.9
171.11705	22.4
172.08775	1.3
173.05956	3.7
173.09630	6.6
173.13274	3.8
175.07547	5.8
175.11162	2.8
175.95473	0.8
177.09087	2.5
179.07146	1.6
179.08534	2.2
179.10629	1.1
180.09264	1.0
181.10094	3.3
183.08046	2.2
183.11699	18.4
184.12321	1.6
185.09669	6.1
185.13255	16.0
186.10358	1.8
187.07489	3.2
187.11140	5.1
189.09077	2.3
189.12695	1.2
191.10689	1.6
192.09273	1.2
193.08612	2.1
193.10138	3.7
194.10780	1.1
195.07930	1.1
195.11684	3.7
197.09631	4.1
197.13286	4.1
198.10480	1.3
199.07532	2.2
199.11169	8.4
200.11894	2.2
201.09158	2.2
201.12766	4.7
203.07054	1.1
203.14355	1.4
205.10249	1.7
205.12186	2.2
206.10986	1.5
207.11736	4.2
208.12393	1.2
209.09692	1.6
209.13232	2.9
210.10359	0.9
211.11247	4.9
213.09129	3.9
213.12723	15.1
215.10684	2.5
215.14262	1.6
217.10310	1.2
217.12195	2.0
218.10912	2.0
219.11649	2.3
220.12349	1.1
221.13271	2.5
222.10356	1.0
223.11169	2.7
223.14850	2.1
227.10664	2.1
229.10265	1.4
229.12320	2.8
230.11032	1.3
231.09871	1.3
231.11729	2.8
231.13835	4.7
232.12494	1.7
233.13290	2.5
233.15405	2.1
234.14189	1.2
235.11189	2.1
235.14848	1.5
237.12773	2.1
239.10773	1.6
241.12234	3.2
242.10780	1.4
243.11821	1.8
243.13824	4.6
244.12491	2.2
245.11447	1.6
245.13403	2.0
245.15393	4.4
246.13992	1.3
247.11124	2.1
247.13130	2.1
249.12746	2.0
251.14491	2.0
253.12270	1.7
255.11429	1.2
256.12363	2.3
257.13235	4.0
258.14044	1.9
259.10992	1.6
259.12958	1.6
259.15121	1.9
260.15488	1.5
261.12622	1.9
263.10605	1.1
263.14050	1.3
265.06500	1.0
265.12225	1.3
269.13220	2.4
270.14023	2.5
271.14697	3.2
273.12341	1.7
273.14816	6.2
275.10641	1.3
275.14313	1.6
275.17758	1.2
277.12308	1.7
279.13867	1.4
283.14487	1.5
284.15482	2.1
285.12674	1.2
285.16333	3.9
287.10587	1.1
287.14371	1.9
289.11896	1.3
289.16275	1.1
291.16101	3.4
293.11823	1.0
293.15247	1.2
295.14743	1.2
297.12766	1.7
298.13501	2.3
299.14426	1.9
299.17755	1.9
301.12048	1.5
301.15823	2.1
303.14032	1.8
303.17334	2.5
312.15015	1.8
313.15845	3.0
315.13696	2.7
315.17624	1.1
316.14569	2.2
317.18991	1.4
319.17010	1.8
321.15079	1.1
327.17392	3.9
329.15338	4.7
331.16788	5.6
333.15009	1.5
337.18094	1.9
340.14496	1.2
341.15363	4.5
343.16861	3.3
344.13934	1.2
345.18549	5.6
346.19064	1.0
347.16284	3.2
349.17917	3.5
355.17123	4.9
357.18561	1.5
359.16327	6.8
361.17844	2.9
363.19473	2.4
365.17636	2.0
371.16492	1.8
373.18048	10.7
377.17276	5.5
379.18817	1.4
383.16269	1.8
387.19556	1.3
389.17407	3.3
391.18976	8.6
401.17389	6.3
403.19077	4.0
405.20636	5.8
407.18478	2.8
409.19922	3.3
415.18860	4.2
419.18588	10.3
421.20218	5.8
423.21674	7.4
433.20178	16.4
437.19458	8.6
439.21167	2.4
441.22961	1.1
451.21133	34.5
452.21460	1.5
455.20547	5.1
469.22247	38.8
470.22589	1.3
487.23480	5.3
585.24481	1.2
599.26361	3.1
603.25519	1.9
617.27423	7.0
635.28497	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	652.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03939	2.5
55.01855	1.3
55.05506	1.5
67.05507	1.5
77.03909	0.9
79.05495	3.3
81.03411	1.2
81.07076	1.5
83.04967	1.5
91.05482	4.7
93.07053	4.2
95.04974	4.2
95.08620	2.1
96.60745	0.7
103.05477	48.9
105.03402	3.6
105.04504	1.5
105.07051	6.1
107.04986	1.0
107.08601	3.4
109.06512	1.1
109.10155	0.7
115.05419	0.7
117.07053	2.7
119.08582	6.1
121.06525	2.0
121.10162	2.0
123.08049	0.9
128.06230	0.9
129.06999	1.3
131.04938	100.0
131.08598	4.2
132.05260	1.0
133.06509	2.3
133.10123	6.6
135.08044	3.3
135.99222	0.7
141.06978	1.3
142.07756	1.3
143.08578	4.3
145.06493	1.7
145.10173	3.0
147.08055	3.9
149.05972	0.7
149.09602	5.1
155.08574	2.0
156.09361	2.4
157.06458	0.7
157.10149	7.1
159.08073	3.0
159.11728	3.5
161.05984	0.8
161.09598	2.4
163.11259	1.0
167.08603	1.4
169.10101	3.5
170.10889	2.1
171.08034	1.0
171.11684	10.2
172.08849	1.1
173.09613	2.7
173.13300	1.8
175.14819	0.7
177.09183	0.7
179.07080	0.7
179.08652	0.7
181.10175	1.3
183.08151	1.4
183.11719	6.8
184.12498	0.8
185.09636	2.5
185.13289	7.2
186.10330	0.7
187.11200	2.4
191.10773	0.8
193.10191	1.6
195.11728	2.9
197.09682	1.8
197.13258	2.1
199.07523	0.7
199.11192	3.8
201.12799	2.6
205.10193	1.2
206.10820	1.1
207.11748	2.3
208.12354	0.8
209.09628	1.1
209.13257	1.7
211.11234	1.9
213.09200	0.7
213.12743	7.5
215.10735	1.5
217.10286	0.9
217.12300	1.5
219.11803	1.4
220.12404	1.1
221.13344	3.1
223.11232	0.9
223.14760	1.3
224.11938	0.8
227.10699	1.1
229.12247	1.5
231.11931	1.5
231.13876	1.6
232.12468	1.5
233.09718	0.8
233.13301	1.9
234.14050	0.9
235.11314	1.1
235.14890	1.3
237.12898	0.8
241.12202	1.0
243.11705	1.5
243.13914	2.2
244.12518	1.4
245.13364	1.5
245.15443	3.5
246.14064	2.1
247.11066	0.9
247.14883	2.4
249.12817	1.3
249.16396	2.2
251.14426	1.3
255.13853	1.2
256.12424	0.7
257.13373	1.2
258.14041	0.9
259.15167	1.4
261.12686	1.3
261.16394	2.6
262.17230	0.8
271.14825	1.7
273.12347	0.8
273.14984	2.2
275.14200	1.6
277.15704	1.5
285.13004	0.7
285.16476	1.3
287.14264	0.7
288.15048	0.8
289.16006	0.9
290.16611	0.9
291.16309	1.9
293.19019	1.4
301.16064	1.3
301.19199	0.7
303.17471	1.7
305.18869	1.4
307.16913	0.9
315.17325	1.5
317.19125	1.4
319.17041	0.9
319.20447	1.0
321.18552	1.4
327.17554	1.3
329.19107	1.0
331.16937	1.1
333.18381	1.7
335.16266	1.1
337.18106	1.5
345.18695	2.0
347.16342	1.9
347.20065	1.1
349.17960	2.7
351.19540	0.9
357.18457	0.8
359.16422	2.5
361.18005	2.4
363.19745	2.1
365.17291	1.0
367.19263	1.1
369.20779	1.7
373.18036	2.6
375.19418	1.0
377.17441	2.7
377.21463	1.0
378.17715	1.0
389.21414	0.9
391.19061	4.6
401.17267	1.1
405.20474	1.6
407.22275	1.2
409.20108	2.3
411.21741	1.2
419.18451	4.0
421.20068	2.7
423.21811	5.3
433.20169	3.8
437.19406	3.5
439.21008	1.7
441.23026	3.1
451.21255	9.4
455.20676	2.0
469.22305	9.6
487.23328	6.3
607.28973	0.9
635.28473	3.0
652.26563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
53.03949	1.8
55.01882	0.8
55.05513	2.0
55.44948	0.8
67.05496	2.0
69.03436	1.6
69.07062	1.0
77.03925	1.6
79.05492	3.6
81.07031	2.5
83.04971	2.0
91.05499	3.9
91.09908	0.9
93.07071	4.2
95.04948	3.0
95.08586	2.8
103.05479	52.9
105.03397	2.7
105.04533	1.1
105.07040	5.2
107.08591	3.6
109.06520	1.7
115.05449	1.0
117.07038	2.9
119.04925	0.9
119.08591	6.1
121.06498	2.0
121.10159	1.7
123.08051	1.1
128.06294	0.9
129.07007	2.5
131.04939	100.0
131.08582	4.5
132.05243	1.0
133.06482	2.9
133.10112	5.1
135.08087	4.3
137.09576	1.0
139.07599	0.8
141.08167	0.8
142.07762	1.3
143.08562	3.7
145.06438	1.3
145.10104	4.8
147.08046	3.8
147.11629	0.9
149.09653	4.6
153.06950	1.0
153.09140	0.8
155.08583	1.0
156.09325	2.5
157.10123	7.7
159.08080	2.7
159.11685	3.6
161.05977	2.5
161.09637	3.4
163.07547	3.9
163.11151	2.2
167.08580	1.7
169.10066	3.8
170.10849	1.5
171.08083	1.9
171.11705	9.8
172.08812	1.1
173.09650	6.4
173.13272	0.9
175.07614	1.6
177.09117	0.8
179.07140	1.3
180.09210	0.8
181.10144	1.8
183.08075	1.5
183.11697	7.8
184.12177	1.0
185.09615	3.2
185.13257	5.5
187.11160	3.1
193.10114	1.3
195.11684	1.2
197.09612	2.8
197.13295	1.7
198.10374	1.6
199.11139	4.9
199.84277	0.9
201.09178	1.4
201.12814	1.8
207.11670	2.7
209.09659	1.0
209.13242	1.2
211.11275	4.2
211.14861	1.0
213.09236	1.5
213.12770	11.0
218.10907	1.0
221.13237	1.9
223.14795	1.7
224.11885	1.0
225.12627	1.1
229.12265	1.5
231.09962	1.1
231.13756	1.8
232.12617	0.9
233.13399	1.6
233.15288	1.0
235.14792	1.7
237.12766	1.7
241.12103	1.5
243.13860	2.4
245.13309	1.1
245.15425	2.1
246.14063	1.8
248.15555	1.6
249.12772	1.8
249.16428	1.6
258.14047	1.3
261.12741	1.2
261.16336	1.9
263.14343	1.0
263.18030	1.1
265.15973	1.4
271.13367	0.9
273.14957	2.7
275.14279	1.7
277.15793	2.1
285.16357	1.0
289.15891	0.9
290.16895	1.0
291.15860	2.5
295.16882	1.1
299.13950	1.0
301.15741	1.6
302.13217	1.0
303.17422	1.5
305.19107	1.7
307.17026	1.3
309.13257	1.9
309.18417	1.5
315.17422	1.8
317.15326	1.2
319.17090	1.2
331.16873	2.2
337.17981	2.9
347.16180	1.1
347.20157	1.1
349.17963	2.3
355.16394	1.1
359.16568	1.1
361.17743	1.0
363.19623	1.6
365.17462	1.8
367.19125	1.1
369.20847	5.5
373.17923	2.5
377.17429	3.1
387.21802	1.2
391.19046	5.0
395.18588	3.8
407.22491	1.6
409.20013	4.3
419.18677	3.9
421.20264	1.0
423.21475	2.0
425.23123	1.3
433.20026	2.1
437.19574	5.2
439.21121	1.1
441.22714	1.2
451.21338	8.0
455.20969	4.4
469.22278	18.4
487.23318	28.7
548.12476	0.9
635.28186	2.3
652.27698	1.2
670.71820	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
54.67076	0.9
55.01878	5.0
55.05519	4.9
56.06889	0.8
57.03431	1.3
61.02910	1.8
61.86448	0.8
64.02191	0.8
67.05503	3.4
69.03436	7.4
69.07071	1.9
70.06593	1.8
71.04980	1.7
73.02892	1.1
73.12500	0.8
79.05489	3.9
81.03426	7.4
81.07054	3.9
83.04989	5.1
85.02912	19.7
87.00832	6.1
91.05496	5.8
91.47533	0.8
93.07019	2.8
94.04148	1.5
95.04977	4.2
95.08603	3.8
97.02895	9.3
98.20776	2.0
99.04438	3.3
100.07616	1.7
103.05468	4.5
104.05818	1.0
105.01864	4.9
105.07037	5.4
107.04932	2.1
107.08587	3.5
109.02900	6.5
109.06505	1.6
109.10137	2.6
110.76746	0.8
111.08095	1.0
115.05501	1.0
117.01869	0.9
117.06982	2.3
119.04926	2.2
119.08568	2.6
120.51140	1.1
121.06502	3.1
121.10146	1.6
122.03633	3.4
123.08003	1.0
125.09564	1.0
127.03928	13.8
128.06236	1.0
128.47495	0.9
129.07016	1.1
131.04929	11.4
131.08575	1.7
132.01158	1.2
132.05257	3.3
133.06456	2.4
133.10097	2.3
135.08060	2.1
137.05988	63.5
143.08566	1.8
145.04976	7.3
145.06425	2.5
145.10141	2.6
147.04353	1.4
147.07990	1.7
149.05957	3.4
149.09566	1.1
150.06671	1.7
151.03912	3.8
151.07510	1.4
155.08430	0.8
157.10075	2.0
159.02948	5.1
159.04077	1.0
159.08072	1.6
159.11707	2.3
161.06009	6.1
161.09583	2.0
162.06462	1.0
163.07559	1.9
165.09073	1.1
166.07597	1.0
169.10056	1.6
171.07928	1.1
171.11691	3.1
173.05974	2.5
173.09628	1.4
175.03940	1.4
175.07512	2.0
183.11710	1.3
185.09645	1.1
185.13283	1.6
186.03090	3.5
189.05461	1.8
191.07068	2.0
193.10129	1.1
194.07243	1.2
199.11118	1.3
201.05496	12.6
201.12729	1.2
203.07011	2.9
205.06529	8.4
207.06436	1.5
207.11652	1.4
209.09662	2.0
213.12675	2.2
215.06995	1.2
217.06575	1.2
217.12265	1.2
217.39926	0.9
219.08150	1.9
221.06067	1.8
221.07936	4.6
222.06776	3.5
225.09021	1.3
227.06946	1.2
231.04880	1.7
231.13866	1.2
233.05965	9.2
233.08022	1.8
234.06763	2.6
235.07567	1.2
237.09114	8.3
239.07129	1.2
243.06569	2.5
245.08070	1.8
247.07556	2.5
249.09097	1.7
250.06274	5.9
255.10059	1.3
261.05453	1.5
262.06207	2.2
263.06979	1.6
264.07758	3.4
265.08630	21.3
266.09344	1.1
267.06525	1.8
275.07031	1.6
277.08719	4.8
278.05698	5.1
279.06812	1.0
279.10141	2.6
282.08914	2.0
283.09616	1.1
290.05621	2.6
292.07254	6.7
293.08047	17.4
294.08884	1.3
295.06082	1.4
295.09427	0.9
297.11252	6.7
305.08105	5.8
307.06168	1.7
307.09665	23.8
309.11102	1.3
310.08359	2.9
325.10727	100.0
327.12537	1.4
333.20712	1.1
335.09210	1.3
337.10712	17.0
345.11053	2.3
347.09195	1.1
349.10651	9.6
351.25577	1.1
355.11890	5.2
357.13364	25.7
361.10629	2.2
367.11731	1.4
369.13443	4.3
373.10464	2.2
379.11670	2.2
391.11560	4.5
397.10455	1.4
403.17422	2.0
415.11783	11.4
420.18692	1.0
433.12811	1.4
438.19943	1.4
474.22012	1.2
498.22055	1.2
516.23096	1.2
519.13037	1.5
537.13922	6.1
555.15106	1.3
581.23932	1.3
599.24603	1.2
652.37604	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	652.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
54.57819	0.9
55.01874	4.4
55.05498	2.7
55.62005	0.9
61.02913	0.9
62.26938	0.9
67.05491	3.9
68.99777	1.2
69.03426	5.1
69.07076	1.6
71.04971	2.7
71.55691	1.2
73.02900	1.7
78.65091	0.9
79.05492	2.1
81.03423	6.7
81.07046	3.7
83.04977	3.2
85.02913	15.6
87.00837	5.1
87.04477	1.2
91.05464	3.4
93.07027	2.0
95.04948	2.8
95.08604	2.1
97.02895	8.6
99.04461	3.7
103.05463	2.5
105.01852	4.0
105.03386	1.3
105.07018	2.9
107.04955	1.7
107.08591	2.2
109.02875	6.1
109.06531	1.4
109.10139	3.4
114.05573	0.9
117.01987	0.9
117.06985	1.2
119.04918	0.9
119.08589	1.9
121.06551	1.3
121.10081	1.4
123.04350	0.9
123.11604	1.1
125.09785	0.8
127.03941	10.9
129.07016	1.1
131.04927	5.8
131.08607	1.0
132.01239	2.1
132.05232	1.1
133.06444	2.0
133.10124	2.0
135.04413	0.8
135.08061	1.4
135.11755	1.2
136.06139	2.6
137.05975	20.0
143.08485	1.2
144.06573	3.8
145.04977	6.2
145.06467	2.6
145.10118	1.2
147.04370	1.3
149.06021	1.9
149.09645	1.1
150.06743	1.3
151.03902	4.0
151.07561	1.4
155.08516	1.4
157.10110	1.4
158.03680	1.6
159.02863	3.2
161.05977	3.9
161.27126	0.9
167.07048	1.2
171.11713	1.6
173.05978	4.2
173.09592	1.5
175.03937	2.0
175.07541	1.0
177.06998	1.4
186.03093	3.6
187.07584	1.6
189.05482	1.4
189.09048	1.0
194.07132	1.1
201.05449	16.1
203.07095	2.0
205.06500	10.1
209.09590	1.2
211.07585	1.4
213.12604	1.2
215.06975	1.4
219.07991	1.1
221.06047	1.2
222.06688	5.3
227.06987	1.6
231.04868	1.2
233.05989	12.7
234.06659	3.4
236.08148	1.1
237.09128	12.4
243.06566	3.8
245.08087	1.5
247.07523	2.1
249.05513	1.9
249.09166	1.7
250.06264	10.3
251.06937	2.8
261.05405	1.9
262.06192	2.0
264.07816	3.4
265.08618	33.3
266.09299	2.2
267.06580	1.9
275.06848	1.0
277.04889	2.4
277.08545	2.8
278.05762	5.8
279.10114	2.8
281.07965	1.1
282.08826	3.0
286.06345	1.2
290.05734	2.0
292.07300	13.3
293.08057	24.6
294.09116	1.2
295.06186	1.0
297.11282	8.3
302.05685	1.1
305.08051	4.0
307.09637	36.8
309.07516	1.1
309.11087	1.1
310.08337	3.1
313.08484	1.7
316.07236	1.1
317.07959	1.4
325.10715	100.0
331.09674	2.6
337.10706	14.1
345.11200	3.6
347.09018	1.8
349.10687	11.9
357.13324	32.3
361.10757	2.6
363.12155	1.8
367.11710	2.5
369.13300	2.4
373.10513	2.1
379.11646	3.7
391.11737	5.1
397.10623	2.2
415.11801	15.6
433.12668	2.1
447.14145	1.2
454.29929	1.8
519.12805	3.5
537.14258	5.1
555.15021	2.8
567.45911	1.0
573.15936	2.2
652.36761	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.46
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.9
67.05505	5.4
69.07058	2.0
71.54990	1.3
79.05504	2.8
81.07050	5.2
91.05478	2.6
93.07027	1.8
95.08609	3.4
99.56189	1.4
317.20886	5.6
373.23401	2.6
413.34293	1.6
507.40427	1.9
516.53516	1.7
539.42920	3.0
632.70502	1.7
651.45947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.5202
Annotation	1-[18-hydroxyoeoyl]-2-[18-hydroxy-lioleoyl]-sn-glycerol
Peak:m/z	Relative Intensity
53.03933	4.5
54.10022	2.7
55.05273	3.2
55.05516	41.8
57.03439	10.6
57.07079	6.8
67.05507	91.4
69.07072	52.1
70.60738	7.7
71.04980	6.5
79.05064	3.1
79.05498	31.0
81.06580	5.5
81.07063	100.0
83.08626	33.1
85.06555	7.3
91.05494	24.3
93.07050	37.6
95.04922	3.4
95.08610	85.4
97.06542	9.0
97.10188	19.1
102.45451	2.7
105.07047	17.6
107.08589	23.6
109.06537	3.1
109.10158	36.5
111.08077	4.3
111.11731	6.6
117.06998	3.6
119.08588	16.7
121.10131	29.3
123.08105	4.3
123.11675	13.5
125.09615	4.5
131.08569	6.0
133.10141	13.6
135.08975	2.7
135.11679	16.7
137.13243	3.2
139.11183	4.6
145.10126	9.3
147.11711	10.6
149.13266	7.4
159.11720	6.3
161.13264	10.0
163.11229	3.4
163.14859	5.2
164.06143	2.9
165.12794	4.9
175.14885	3.3
177.16307	2.7
179.14398	4.7
243.21127	5.0
245.22618	4.5
255.03615	3.0
261.22128	12.1
263.23712	10.2
279.23196	5.3
286.41998	3.3
335.25946	17.3
337.27380	21.5
353.22488	4.5
353.26877	84.2
355.28427	85.8
523.44873	3.1
541.46143	3.3
615.49762	10.2
633.50928	33.7
651.27771	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	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.2
53.03942	3.6
55.01867	2.5
55.05269	1.4
55.05514	21.4
56.63493	1.2
57.03448	11.6
57.07068	4.6
59.04998	3.0
65.03932	4.8
67.05510	100.0
69.03436	22.2
69.07072	14.2
69.41470	2.6
69.41878	5.9
71.05000	6.6
71.08641	1.4
73.02914	1.0
77.03960	1.0
79.05492	27.0
81.03424	24.3
81.07062	47.3
83.04980	11.2
83.08627	11.9
85.02888	4.6
85.06531	4.4
87.04480	2.0
91.05488	24.9
93.06477	2.1
93.07050	31.3
95.04977	8.3
95.08610	29.6
97.02898	8.0
97.06528	4.0
97.10172	9.1
99.04443	2.9
99.08064	1.7
103.03944	1.4
103.05452	1.9
105.07043	19.2
107.04949	3.5
107.08601	17.9
109.02908	6.6
109.06511	4.2
109.10162	60.3
111.04456	5.8
111.08086	3.7
115.05460	1.7
117.07037	9.0
119.08595	22.7
121.06516	2.1
121.10159	12.3
123.04460	1.2
123.08060	3.2
123.11707	5.2
125.09638	8.7
127.03913	4.1
128.06229	2.5
129.05525	5.2
129.07022	7.9
130.07832	1.4
131.04958	1.2
131.08572	13.8
133.06502	3.3
133.10138	11.0
135.08076	5.1
135.11700	8.6
137.05952	1.3
137.09616	6.1
137.13242	1.1
139.11189	3.1
141.06978	2.9
142.07796	1.7
143.08556	5.9
145.06407	2.2
145.10135	10.2
147.08049	2.5
147.11703	9.8
149.05966	1.3
149.09630	2.9
149.13232	4.4
150.14017	1.1
151.07518	2.3
151.11157	1.5
153.06972	1.5
153.09128	1.7
154.07814	1.6
155.08592	4.1
155.10715	3.5
157.06526	2.5
157.10132	8.9
159.08049	2.8
159.11702	6.6
161.09583	3.1
161.13228	5.0
163.07597	1.2
163.11211	2.5
163.14809	2.0
165.12752	1.6
167.08537	1.7
169.10120	5.1
171.08064	2.7
171.11694	5.1
173.09581	2.7
173.10341	1.4
173.11742	16.3
173.13264	5.6
175.07510	1.4
175.11188	2.8
175.14799	2.6
177.12825	1.6
179.10570	1.2
181.10120	2.4
183.11687	3.0
185.09561	1.5
185.13272	4.4
187.11105	2.1
187.14783	2.8
189.11197	4.9
189.12727	2.3
191.10802	1.3
193.12289	1.3
195.11681	2.2
197.09534	1.3
197.13266	4.0
199.11221	1.9
199.14880	4.4
201.12808	1.5
205.15977	1.7
207.13792	1.1
209.13264	1.8
211.11337	1.6
211.13110	1.8
211.14920	1.8
213.12825	1.8
213.16342	1.3
223.14809	1.2
227.12640	6.1
229.12076	2.5
229.14359	45.3
245.13794	1.9
259.17120	1.2
259.20517	3.1
261.18530	1.0
261.22086	4.4
263.23740	1.4
277.21689	2.2
285.21973	1.4
299.14838	1.8
301.21661	4.9
315.23209	1.6
319.22623	3.1
327.23285	1.7
335.25848	5.7
337.27399	2.4
341.24570	2.6
345.24362	1.8
351.23190	4.9
352.53021	1.1
353.24469	1.5
357.24231	1.6
369.24323	10.9
371.17130	1.6
371.25476	2.6
373.18463	4.3
375.25082	1.9
387.25278	7.5
405.26230	3.4
417.26038	1.2
443.27792	3.6
461.28973	6.0
479.30133	4.0
487.33908	1.7
489.35968	5.2
513.24469	1.3
559.36121	2.0
573.38068	2.5
585.37976	1.7
597.38007	10.3
615.38849	10.0
633.39972	31.3
651.41089	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	651.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67462	0.9
53.03951	5.8
55.01867	3.6
55.05517	25.8
57.03443	10.8
57.07075	2.8
59.05000	3.6
65.03933	4.1
67.05511	100.0
69.03083	1.4
69.03437	28.4
69.07073	15.8
71.01354	1.3
71.04996	7.4
71.08633	2.8
71.55116	0.9
71.55554	1.2
73.02905	1.3
77.54241	1.0
79.05500	35.4
79.05968	2.0
81.03426	37.7
81.07064	54.3
83.04988	15.0
83.08627	14.7
83.27328	1.0
85.02922	4.7
85.06545	4.0
87.04481	1.5
91.05489	31.1
93.03399	1.0
93.07053	32.1
93.17605	1.0
95.04974	9.5
95.08615	36.2
97.02898	12.3
97.06544	4.6
97.10182	10.7
99.04459	4.8
99.08081	1.4
101.06026	1.0
103.03935	2.4
103.05415	1.3
105.04530	1.6
105.07039	23.3
107.04964	4.6
107.08600	22.4
109.02884	9.2
109.06531	5.4
109.10169	66.0
111.04459	5.9
111.08126	4.9
113.06026	1.2
115.05463	2.5
117.07030	13.9
119.08592	22.0
121.06514	4.2
121.10156	15.4
123.04489	1.5
123.08087	3.2
123.11695	6.9
125.09647	9.7
127.03941	5.0
128.06238	3.7
129.05537	7.6
129.07002	8.8
130.07826	1.1
131.04991	2.4
131.08588	15.0
133.06502	3.3
133.10155	14.7
135.08061	5.5
135.11722	10.4
137.05960	1.7
137.09621	5.3
137.13261	1.5
139.11203	1.8
140.95628	1.0
141.07018	3.3
142.07761	1.5
143.08582	8.7
145.06512	2.4
145.10123	14.2
147.04349	1.0
147.08087	3.3
147.11708	9.3
149.09621	4.0
149.13235	5.9
151.07579	1.5
151.11189	1.6
155.07315	1.1
155.08540	5.6
155.10681	4.0
157.10127	7.3
158.07170	1.1
159.08054	3.8
159.11732	11.9
161.09666	1.8
161.13254	6.0
163.11250	2.0
163.14845	2.0
165.07033	1.3
165.09076	1.2
165.12851	1.9
167.08630	2.0
169.10117	5.2
171.08017	2.6
171.10330	1.5
171.11697	6.6
173.09651	2.8
173.11748	16.7
173.13292	6.3
174.76801	1.1
175.11241	2.2
175.14833	1.7
177.09164	1.2
177.12770	1.6
179.08533	1.2
181.10173	2.1
183.11673	4.3
185.09709	2.1
185.13248	6.2
187.11243	2.8
187.14827	2.9
189.11263	6.5
189.12761	1.7
191.10643	1.6
191.14372	1.1
193.12317	1.9
195.11716	2.3
197.13219	2.4
199.11166	1.7
199.14885	3.6
201.12805	1.9
209.13390	2.2
211.14970	1.3
213.12747	2.0
213.14671	1.6
215.14232	1.1
223.14938	1.1
225.12895	1.5
227.12741	9.4
229.14349	35.8
229.16557	1.9
245.13686	4.6
259.20602	3.2
261.22229	5.3
263.23557	1.9
271.20551	1.2
273.22241	1.5
277.21637	3.8
283.20599	1.4
285.22296	1.8
289.21585	2.2
297.22037	1.6
299.14890	2.6
301.21722	5.9
303.23267	1.7
309.21896	1.5
315.23257	2.6
317.24905	1.6
319.22696	2.9
327.23288	3.5
331.22818	1.5
333.21936	1.2
335.25867	14.9
337.27551	5.6
341.25043	1.7
345.24298	2.9
351.23206	7.0
353.24899	1.5
357.24213	1.3
369.24234	13.9
371.17038	3.0
371.26007	1.0
373.18521	6.0
375.25046	1.9
385.23413	1.8
387.25278	7.6
405.26416	4.2
425.27090	2.0
443.27908	4.5
445.29755	1.2
461.29089	6.8
479.30283	6.2
489.35843	7.4
507.36896	3.8
529.35126	1.2
541.34949	1.1
559.36188	2.3
573.37640	1.1
585.37543	1.5
597.37958	7.1
601.20599	7.1
603.39160	1.1
615.38934	8.3
633.39996	43.7
651.24640	1.3
651.40845	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	651.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.2
55.01863	2.7
55.05266	1.9
55.05510	25.7
56.63131	1.2
57.03437	12.3
57.07056	3.5
59.04990	3.4
59.79882	1.0
65.03918	3.5
65.59441	1.3
67.05505	100.0
69.03429	20.8
69.07075	15.0
69.35591	8.4
71.05002	5.9
73.02908	2.4
76.02440	1.2
79.05061	2.1
79.05492	31.1
81.03419	46.3
81.07058	54.1
83.04975	17.8
83.08618	15.8
85.02901	6.1
85.06513	3.5
87.04503	1.2
91.05486	25.2
93.07049	36.2
95.04969	7.7
95.08601	36.6
97.02881	13.7
97.06515	5.6
97.10168	12.0
98.23403	1.3
99.04389	3.1
99.08078	3.0
103.05486	1.6
105.07037	20.6
107.04961	4.6
107.08591	23.1
109.02863	7.6
109.06529	5.2
109.10156	67.1
111.04440	8.8
111.08088	6.9
115.05428	1.8
117.07021	13.3
119.04922	1.3
119.08585	21.1
119.09369	2.4
121.06495	3.5
121.10138	15.7
123.08053	4.2
123.11697	5.3
125.09624	12.9
127.03946	7.6
128.06210	2.3
129.05510	7.9
129.07008	7.2
130.07784	2.1
131.08580	16.2
133.06474	3.7
133.10136	13.8
135.08055	4.9
135.11667	8.4
137.09627	5.9
137.13229	1.3
139.11177	2.6
141.06982	3.7
142.07761	3.4
143.08551	8.7
144.09299	1.8
145.06461	2.9
145.10149	12.9
147.08037	3.4
147.11678	7.9
149.09607	3.7
149.13239	4.5
151.07529	2.3
151.11145	2.5
153.09081	2.0
153.95900	1.2
155.08545	4.2
155.10655	5.2
157.10147	6.7
159.08083	2.7
159.11676	9.5
161.09618	4.0
161.13225	6.2
163.07439	1.7
163.11223	2.5
163.14851	2.6
165.07140	1.5
165.09100	2.0
165.12746	2.2
166.93549	1.3
169.10109	5.5
171.08061	2.0
171.10332	1.3
171.11638	6.5
173.09567	1.9
173.11726	18.4
173.13258	5.6
175.07500	1.7
175.11169	2.3
175.14893	3.1
177.12810	2.7
181.10071	2.4
183.11676	4.7
185.09636	2.1
185.13235	6.1
187.11150	2.3
187.14799	3.1
189.09676	1.8
189.11201	9.0
189.12645	2.6
195.11861	2.7
197.13231	3.3
199.11223	2.0
199.14883	2.8
200.15288	1.3
201.12733	2.0
203.14240	1.7
205.12300	1.3
209.13271	3.1
211.11432	1.8
211.13240	2.4
211.15051	1.4
213.12842	3.1
227.12744	14.8
229.12083	2.9
229.14340	40.5
231.13783	1.8
245.13847	5.4
259.20505	3.8
261.22116	3.8
271.20709	1.4
273.22214	1.4
277.21634	2.2
285.22037	2.0
291.23169	1.5
297.13095	2.0
299.14917	3.3
301.21689	4.4
303.23184	2.7
309.22012	1.2
315.23087	1.9
319.22748	2.0
327.23059	1.7
335.25861	8.2
337.27255	8.0
339.23206	1.4
345.24261	2.1
351.23129	5.7
353.24747	2.4
369.24222	12.7
371.16895	6.0
371.25833	1.6
373.18680	7.7
387.25217	7.2
405.26236	4.8
443.27612	3.2
445.29382	1.4
461.28738	5.2
479.29883	3.7
487.34052	2.9
489.35641	7.1
507.36633	2.9
520.36462	1.4
529.35980	1.5
531.36530	2.2
543.36591	1.7
559.36322	2.6
573.36951	1.5
579.36505	2.0
597.37720	7.5
601.21082	1.4
615.38727	10.5
633.40045	33.5
649.33929	1.6
651.40826	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.41
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.4
53.03957	6.4
55.01864	3.8
55.05508	26.9
55.49692	1.3
57.03445	10.6
57.07072	2.8
59.04994	3.7
65.03939	2.8
67.05505	100.0
69.03433	26.0
69.07066	13.8
69.37688	1.3
70.46618	1.2
71.04996	8.4
73.02920	2.1
78.05623	1.2
79.05058	2.6
79.05492	32.0
81.02928	1.6
81.03420	44.8
81.07059	55.9
83.04990	22.7
83.08606	14.4
85.02889	5.6
85.06524	2.7
87.04485	2.2
91.05478	27.1
93.07043	37.7
95.04971	9.7
95.08607	35.9
97.02898	16.4
97.06524	4.1
97.10165	12.5
99.04470	4.3
99.08104	1.7
103.03949	1.6
103.05459	1.7
105.07035	21.6
107.04977	4.0
107.08601	23.5
109.02888	7.2
109.06528	5.0
109.10159	62.0
111.04448	9.5
111.08062	4.0
115.95869	1.3
117.06997	11.5
117.66233	1.2
119.04922	1.5
119.08594	23.3
119.09408	0.9
121.06511	3.2
121.10143	14.6
121.10944	2.0
123.08102	2.7
123.11706	8.1
125.09653	10.7
127.03919	7.2
128.06233	1.9
129.05482	13.4
129.06995	4.8
131.04903	2.1
131.08582	15.7
133.06517	2.1
133.10124	15.5
135.08049	6.0
135.11673	11.0
137.09634	4.7
139.07524	1.5
139.11098	1.4
141.06956	4.7
143.08569	8.7
145.06480	2.1
145.10112	13.1
147.08040	3.6
147.11687	8.5
149.09641	3.3
149.13246	5.4
151.11255	1.5
153.09200	1.9
155.08559	4.9
155.10683	4.9
157.10138	8.8
159.08061	2.5
159.11684	12.2
161.09621	3.4
161.13243	5.8
163.11116	1.4
163.14835	3.8
165.12738	1.9
169.10141	4.9
171.08063	1.5
171.11716	5.3
173.09648	2.3
173.11737	18.4
173.13260	6.9
175.11258	1.8
175.14851	3.5
177.12801	1.8
181.10083	3.0
183.11687	4.5
185.09682	2.5
185.13321	6.2
187.11105	2.1
187.14832	3.6
189.11232	11.5
189.12720	2.4
193.12340	1.7
195.11745	2.2
197.13306	3.6
199.11253	1.9
199.14856	3.1
201.12695	1.7
207.11826	2.1
211.11197	1.5
211.14812	1.5
213.12869	2.4
223.14906	2.1
227.12691	14.4
229.14320	31.9
243.21013	1.8
245.13824	5.2
259.20578	2.4
261.22144	6.4
263.23624	2.1
273.22122	1.7
277.21686	2.7
299.14758	2.1
301.21609	5.3
303.23022	2.8
315.23013	2.2
319.22989	2.1
327.23169	2.5
331.97623	1.3
333.24551	1.7
335.25790	20.4
337.27332	11.3
339.23068	1.5
341.24796	3.3
351.23178	4.8
357.24573	1.8
369.24329	11.1
371.17136	7.0
373.18353	8.4
387.25266	7.2
393.25824	1.8
405.26328	5.3
425.26761	1.6
431.28152	1.5
443.28070	2.7
461.28909	4.4
479.29877	3.8
489.35669	7.8
505.35178	1.7
507.36688	5.9
573.37903	1.6
597.37982	6.9
598.78210	1.5
601.21216	2.5
615.38947	10.1
633.39838	33.3
651.28326	2.3
651.40869	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	651.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01875	10.2
55.05516	63.6
67.05508	4.7
69.03433	9.1
69.07076	3.5
69.27425	9.5
69.27851	5.4
69.77954	1.4
79.05494	6.4
81.03419	4.9
81.07056	3.7
83.04987	100.0
91.05484	20.3
93.07049	9.6
95.04971	6.4
95.08646	3.6
97.06544	1.7
97.91044	1.8
103.05476	6.1
105.03400	8.9
105.07038	17.3
107.04981	6.9
107.08600	6.9
109.06519	4.2
115.05476	10.6
116.06242	3.8
117.07030	15.0
119.04932	2.1
119.08569	22.0
121.06490	3.8
121.10148	3.3
128.06242	8.0
129.07025	15.7
131.04901	8.7
131.08571	17.5
133.06497	5.6
133.10139	15.1
135.08044	4.5
141.06973	4.4
142.07800	7.4
143.08569	14.7
144.05670	1.6
145.06519	16.3
145.10138	12.4
146.07193	2.1
146.93231	1.6
147.04341	1.6
147.08051	45.6
149.09641	5.1
153.06953	1.6
155.08542	7.2
156.09338	12.9
157.06520	2.0
157.10147	21.7
158.07318	3.4
159.08067	20.7
159.11696	8.7
161.06012	5.4
161.09627	26.8
163.07541	4.4
165.07011	3.9
166.07785	3.6
167.08554	3.4
168.09370	4.0
169.10118	10.2
170.10945	5.4
171.08090	8.7
171.11696	36.3
172.08855	1.9
173.06013	6.4
173.09641	16.3
173.13287	3.7
175.07625	9.2
175.11217	3.2
177.05362	2.0
179.08531	2.9
181.10130	4.7
182.10896	2.3
183.08017	3.9
183.11728	17.4
184.08853	2.4
184.12270	2.0
185.09686	13.4
185.13257	23.9
187.07602	4.9
187.11186	6.5
189.09044	3.5
193.10155	5.5
194.10951	2.7
195.08073	1.7
195.11734	6.2
197.09615	7.5
197.13295	6.7
198.10344	2.6
199.07513	2.2
199.11229	15.8
200.12007	5.3
201.09106	4.8
201.12732	2.6
203.10622	2.4
203.14278	1.7
205.10149	2.6
206.11014	1.8
207.11725	4.6
209.09705	3.8
209.13307	4.0
211.11263	6.2
211.38596	1.7
213.09248	3.0
213.12744	23.4
215.10663	5.6
217.08495	3.3
217.10353	2.6
217.12291	4.7
218.10963	3.0
219.11676	4.7
220.12515	2.7
221.09767	2.1
223.11189	2.9
225.12718	2.0
227.10753	4.4
229.10193	4.0
229.12270	9.4
230.10921	2.9
231.10002	2.1
231.11778	3.7
231.13782	20.1
233.09651	2.2
233.13411	2.6
235.11267	2.8
237.12784	4.9
239.10812	3.3
239.14223	2.3
241.12256	9.2
242.10910	2.3
243.11780	3.0
243.13879	4.0
244.12485	2.8
244.77841	1.7
245.11722	6.6
245.15453	3.6
246.14221	1.7
247.11186	2.0
247.14902	3.4
249.12660	2.2
253.12386	2.0
255.11696	2.9
256.12534	3.1
256.77652	1.8
257.13300	3.1
258.14069	2.7
259.13135	19.6
260.12003	2.5
261.12689	3.6
269.13275	3.5
270.14087	3.9
271.11267	2.2
271.14865	4.4
273.12531	2.7
273.16541	2.0
275.14090	2.4
277.12112	1.7
277.15698	2.4
282.13834	2.0
283.11285	1.9
283.14731	3.2
284.15543	2.6
285.12762	5.0
285.16434	1.9
286.13629	2.3
287.14120	3.7
288.14981	2.1
289.15985	2.6
297.12781	5.0
298.13562	3.5
299.14093	3.7
300.14905	2.3
301.12589	2.5
301.15970	7.2
302.16788	1.9
303.13980	3.8
303.17386	3.8
305.15024	1.9
311.14142	3.3
312.15298	3.3
313.15869	6.1
315.13446	2.7
315.17590	4.5
317.15552	1.8
317.19144	5.1
325.15765	1.9
327.13861	3.4
327.17432	7.4
328.18057	1.9
329.15311	7.1
329.18771	2.8
331.16913	4.3
341.15103	2.0
341.18985	4.8
345.14816	1.7
345.18451	7.9
346.18851	1.8
347.16397	4.9
354.16187	1.9
357.18411	3.6
359.16205	2.3
359.20212	8.5
361.17542	2.1
363.19629	3.4
367.99734	1.5
369.18393	9.4
373.18024	4.5
375.19547	7.1
377.21237	9.5
387.19513	33.8
391.19052	2.1
405.20630	32.4
419.18524	2.9
423.21722	5.3
433.20428	3.6
447.21533	5.4
451.21170	10.3
465.22916	12.3
469.22482	1.6
491.24265	2.1
533.25360	3.4
547.26514	2.5
551.26544	9.9
593.27148	16.4
633.30304	8.3
651.27545	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01878	5.4
55.05518	67.6
67.05498	2.4
69.03429	2.5
69.27892	6.0
69.28312	2.6
79.05496	4.9
81.03423	7.3
81.07048	1.8
83.04990	100.0
91.05487	10.4
93.07053	3.0
95.01286	0.9
95.04990	4.7
95.08611	1.6
103.05503	1.2
105.03370	1.7
105.07047	5.2
107.04950	3.5
107.08603	3.5
109.06537	1.9
109.10130	1.2
115.05466	2.9
116.06219	1.3
117.07022	5.1
119.08599	12.9
121.06504	2.2
121.10194	0.9
128.06227	3.6
129.07016	8.0
131.08568	6.7
133.06525	1.6
133.10126	3.4
135.08072	2.9
141.06996	1.8
142.07785	3.7
143.08577	5.8
145.06505	6.4
145.10133	2.9
147.08058	36.2
149.09630	7.0
153.06999	1.1
154.07695	1.3
155.08562	3.4
156.09357	6.0
157.06508	2.2
157.10143	24.6
159.08070	11.7
159.11717	10.9
161.09688	7.2
163.07544	5.3
165.06966	1.4
166.07799	1.0
167.08557	2.0
169.10150	8.4
170.10977	1.0
171.08150	2.2
171.10266	1.4
171.11708	20.0
173.06004	1.8
173.09621	6.7
173.13290	1.5
175.07588	12.5
175.11203	1.3
177.09222	1.0
179.08623	2.4
180.09430	1.0
181.10155	3.4
182.11075	1.2
183.08060	1.1
183.11682	12.1
185.09639	3.9
185.13202	1.4
187.11200	4.8
189.09163	1.3
192.09370	1.4
193.10150	2.3
194.10849	1.3
195.08113	1.5
195.11702	2.6
197.09618	6.5
199.11177	9.2
201.09079	1.6
201.12735	1.1
203.08578	1.0
203.10695	2.3
205.10022	1.1
206.10974	2.2
207.11688	3.9
209.09576	2.7
209.13252	3.3
211.11160	2.1
213.09109	1.4
215.10695	2.6
217.12247	6.7
218.10941	1.6
220.12486	2.9
221.13187	5.3
223.11220	3.9
223.14816	1.5
225.12785	2.1
227.10709	4.8
227.16249	1.0
229.10266	1.7
229.12270	5.0
231.11722	2.2
231.13797	8.3
232.12361	1.6
233.13239	2.8
233.15430	2.0
234.10414	1.0
234.14117	1.0
235.11238	1.6
235.14868	1.8
237.12746	3.5
237.16435	1.5
239.14343	1.5
241.12158	1.0
243.13881	2.1
244.12750	1.6
245.13344	2.7
246.14165	1.1
247.11137	1.9
247.14955	2.8
249.12695	1.2
251.14261	2.6
255.11845	2.3
257.09592	1.1
257.13354	1.6
258.14166	1.1
259.10992	2.2
259.13394	3.3
260.11783	1.5
261.12781	1.9
261.16479	0.9
263.14432	1.5
270.14047	2.0
271.14685	1.1
272.15503	1.1
273.12790	1.4
275.14304	2.1
277.14487	1.3
279.17297	1.1
285.12814	1.5
285.16248	2.0
287.14514	2.3
289.15781	2.3
291.17230	1.2
297.12695	1.5
298.13455	1.8
299.14328	3.1
300.15002	1.0
301.15945	1.5
301.19382	1.4
303.17303	4.4
313.15869	6.4
314.16666	2.1
315.17529	5.0
317.19019	1.2
325.16016	1.0
327.13785	1.4
327.17432	3.4
329.19058	1.7
331.17023	9.9
331.20587	1.8
333.18365	1.2
343.20663	1.8
345.18533	3.1
345.22336	1.7
347.19922	1.1
355.16797	1.3
355.20572	1.9
359.16418	1.7
360.16638	1.0
373.17801	5.4
373.21667	14.3
375.19696	1.5
377.21039	1.2
387.19513	3.2
389.21136	3.7
391.22794	12.8
401.17569	2.2
405.20609	18.4
407.22147	3.7
415.19049	1.5
423.21588	3.8
433.20117	13.9
451.20660	6.2
519.23688	2.6
526.07330	1.0
533.25006	1.6
537.24725	3.2
551.26379	9.1
551.41559	1.1
619.29138	2.3
633.30579	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	651.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01875	10.2
55.05516	63.6
67.05508	4.7
69.03433	9.1
69.07076	3.5
69.27425	9.5
69.27851	5.4
69.77954	1.4
79.05494	6.4
81.03419	4.9
81.07056	3.7
83.04987	100.0
91.05484	20.3
93.07049	9.6
95.04971	6.4
95.08646	3.6
97.06544	1.7
97.91044	1.8
103.05476	6.1
105.03400	8.9
105.07038	17.3
107.04981	6.9
107.08600	6.9
109.06519	4.2
115.05476	10.6
116.06242	3.8
117.07030	15.0
119.04932	2.1
119.08569	22.0
121.06490	3.8
121.10148	3.3
128.06242	8.0
129.07025	15.7
131.04901	8.7
131.08571	17.5
133.06497	5.6
133.10139	15.1
135.08044	4.5
141.06973	4.4
142.07800	7.4
143.08569	14.7
144.05670	1.6
145.06519	16.3
145.10138	12.4
146.07193	2.1
146.93231	1.6
147.04341	1.6
147.08051	45.6
149.09641	5.1
153.06953	1.6
155.08542	7.2
156.09338	12.9
157.06520	2.0
157.10147	21.7
158.07318	3.4
159.08067	20.7
159.11696	8.7
161.06012	5.4
161.09627	26.8
163.07541	4.4
165.07011	3.9
166.07785	3.6
167.08554	3.4
168.09370	4.0
169.10118	10.2
170.10945	5.4
171.08090	8.7
171.11696	36.3
172.08855	1.9
173.06013	6.4
173.09641	16.3
173.13287	3.7
175.07625	9.2
175.11217	3.2
177.05362	2.0
179.08531	2.9
181.10130	4.7
182.10896	2.3
183.08017	3.9
183.11728	17.4
184.08853	2.4
184.12270	2.0
185.09686	13.4
185.13257	23.9
187.07602	4.9
187.11186	6.5
189.09044	3.5
193.10155	5.5
194.10951	2.7
195.08073	1.7
195.11734	6.2
197.09615	7.5
197.13295	6.7
198.10344	2.6
199.07513	2.2
199.11229	15.8
200.12007	5.3
201.09106	4.8
201.12732	2.6
203.10622	2.4
203.14278	1.7
205.10149	2.6
206.11014	1.8
207.11725	4.6
209.09705	3.8
209.13307	4.0
211.11263	6.2
211.38596	1.7
213.09248	3.0
213.12744	23.4
215.10663	5.6
217.08495	3.3
217.10353	2.6
217.12291	4.7
218.10963	3.0
219.11676	4.7
220.12515	2.7
221.09767	2.1
223.11189	2.9
225.12718	2.0
227.10753	4.4
229.10193	4.0
229.12270	9.4
230.10921	2.9
231.10002	2.1
231.11778	3.7
231.13782	20.1
233.09651	2.2
233.13411	2.6
235.11267	2.8
237.12784	4.9
239.10812	3.3
239.14223	2.3
241.12256	9.2
242.10910	2.3
243.11780	3.0
243.13879	4.0
244.12485	2.8
244.77841	1.7
245.11722	6.6
245.15453	3.6
246.14221	1.7
247.11186	2.0
247.14902	3.4
249.12660	2.2
253.12386	2.0
255.11696	2.9
256.12534	3.1
256.77652	1.8
257.13300	3.1
258.14069	2.7
259.13135	19.6
260.12003	2.5
261.12689	3.6
269.13275	3.5
270.14087	3.9
271.11267	2.2
271.14865	4.4
273.12531	2.7
273.16541	2.0
275.14090	2.4
277.12112	1.7
277.15698	2.4
282.13834	2.0
283.11285	1.9
283.14731	3.2
284.15543	2.6
285.12762	5.0
285.16434	1.9
286.13629	2.3
287.14120	3.7
288.14981	2.1
289.15985	2.6
297.12781	5.0
298.13562	3.5
299.14093	3.7
300.14905	2.3
301.12589	2.5
301.15970	7.2
302.16788	1.9
303.13980	3.8
303.17386	3.8
305.15024	1.9
311.14142	3.3
312.15298	3.3
313.15869	6.1
315.13446	2.7
315.17590	4.5
317.15552	1.8
317.19144	5.1
325.15765	1.9
327.13861	3.4
327.17432	7.4
328.18057	1.9
329.15311	7.1
329.18771	2.8
331.16913	4.3
341.15103	2.0
341.18985	4.8
345.14816	1.7
345.18451	7.9
346.18851	1.8
347.16397	4.9
354.16187	1.9
357.18411	3.6
359.16205	2.3
359.20212	8.5
361.17542	2.1
363.19629	3.4
367.99734	1.5
369.18393	9.4
373.18024	4.5
375.19547	7.1
377.21237	9.5
387.19513	33.8
391.19052	2.1
405.20630	32.4
419.18524	2.9
423.21722	5.3
433.20428	3.6
447.21533	5.4
451.21170	10.3
465.22916	12.3
469.22482	1.6
491.24265	2.1
533.25360	3.4
547.26514	2.5
551.26544	9.9
593.27148	16.4
633.30304	8.3
651.27545	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	20.3
55.05505	6.4
61.75691	2.2
67.05500	6.1
69.03437	72.2
69.07074	4.0
69.27359	13.8
69.27765	4.3
79.05499	11.8
81.03414	12.8
81.07068	5.0
83.04984	10.3
91.05488	40.8
93.07059	14.7
95.04976	13.2
95.08641	4.8
97.06514	2.8
103.05481	2.7
105.07046	27.9
107.04948	9.5
107.08622	11.2
109.06535	5.9
109.10184	2.5
115.03938	2.2
115.05441	16.3
116.06269	5.4
117.07034	28.3
119.08584	41.9
121.06509	5.7
121.10197	3.8
123.08028	2.9
128.06207	14.2
129.06993	30.9
130.07794	6.5
131.04927	4.8
131.08566	30.7
133.06523	5.6
133.10172	24.5
135.08026	6.1
141.07008	8.6
142.07800	21.2
143.08572	31.1
144.05753	3.4
144.09346	2.5
145.06514	28.6
145.10139	23.2
147.08058	100.0
147.11687	4.7
149.09602	9.8
152.06273	3.4
153.06895	3.4
154.07834	4.6
155.06047	2.3
155.08551	12.1
156.09375	17.3
157.06456	3.3
157.10147	48.4
158.07379	5.5
159.08072	62.1
159.11725	10.2
161.09641	54.4
163.07513	7.1
163.11191	7.0
165.07013	6.4
166.07787	4.7
167.08633	6.0
168.09412	5.7
169.10129	22.1
170.07288	2.9
170.10901	14.3
171.08096	19.1
171.11707	72.4
172.08858	4.8
173.06003	6.8
173.09619	35.6
175.07550	18.4
175.11214	6.0
179.08591	4.5
180.09370	4.3
181.10141	10.3
183.08145	5.5
183.11713	39.8
184.08884	5.4
185.09669	26.1
185.13281	55.3
187.07578	7.3
187.11186	13.5
189.08978	3.0
191.10735	3.3
192.09393	3.6
193.10118	7.0
193.11884	1.9
194.10849	4.7
195.08047	5.0
195.11728	13.2
196.08855	4.5
197.09645	14.0
197.13248	15.8
198.10374	5.0
199.07457	2.7
199.11217	38.1
200.11911	4.0
201.09047	5.5
201.12883	5.0
203.08682	3.0
203.10646	3.4
204.09428	3.5
205.10246	3.4
205.12262	6.1
206.10916	4.8
207.11749	8.6
208.08925	3.0
209.09648	5.1
209.13234	4.0
211.11180	9.6
213.09180	8.3
213.12758	56.7
215.08711	4.4
215.10706	11.6
216.09384	2.6
217.10175	4.7
217.12175	5.2
218.10944	3.1
219.11726	3.6
220.12563	4.4
221.09680	3.8
221.13254	5.7
222.14085	1.9
223.11162	9.5
223.14827	2.7
225.09132	3.6
225.12845	5.5
227.10687	5.5
227.14412	2.6
229.10184	5.3
229.12254	7.6
230.10988	5.0
231.10124	6.7
231.11931	4.8
231.13858	7.5
232.08836	2.3
232.12468	4.7
233.09605	5.6
233.13419	4.8
235.11220	4.5
235.14882	4.5
237.12660	4.9
237.16599	2.3
239.10663	5.7
241.10097	4.9
241.12250	9.5
242.10922	3.6
243.10155	8.7
243.13882	9.5
244.12477	5.1
245.11482	3.2
245.13361	3.5
245.15425	40.1
247.11122	4.3
249.12796	5.9
251.14403	3.8
253.12411	2.5
255.11572	4.5
255.13849	7.7
256.12408	3.4
257.09525	3.0
257.13254	6.4
258.10330	3.8
258.13968	5.7
259.11060	4.2
259.13055	11.4
260.12079	2.5
261.12772	9.0
263.14288	5.2
267.14166	2.3
268.12653	3.3
269.09534	2.8
269.13205	8.1
270.14044	3.8
271.11050	4.6
271.14825	3.5
272.12012	5.5
272.15375	2.3
273.14926	37.1
274.13458	5.3
275.14343	7.6
277.12256	2.9
277.15802	3.1
282.10330	2.9
283.11154	5.2
283.14725	5.8
284.11942	4.5
284.15491	4.5
285.12720	7.4
286.13593	6.4
287.14386	9.7
288.14993	3.6
289.12427	3.4
289.15872	3.0
291.13489	3.4
296.11795	2.7
297.12668	13.7
298.13596	4.7
299.10992	3.3
299.14337	6.4
299.17694	2.6
300.14862	4.4
301.12692	2.3
301.15997	10.8
303.13922	3.8
303.17429	6.2
311.14279	9.0
312.15125	9.4
313.12332	3.7
313.15872	14.4
313.19073	3.3
314.12915	3.0
314.16547	2.6
315.13995	2.8
315.17462	9.7
317.18890	10.6
325.12131	3.4
326.16733	5.0
327.13852	4.4
327.17401	20.6
328.18182	8.0
329.15329	14.9
329.18991	8.4
331.16824	3.1
331.20627	2.5
339.13937	4.0
340.14441	2.8
341.15350	3.6
341.19016	20.8
345.15012	2.8
345.18555	14.4
354.16061	7.2
357.18542	12.6
359.20145	19.8
361.17960	6.1
369.18594	38.8
371.20050	4.7
387.19565	32.7
389.21283	19.8
391.22653	15.2
401.21176	33.7
405.20563	3.8
419.22128	51.4
437.23666	2.6
447.21658	6.5
449.23325	2.8
455.22229	6.2
461.23169	4.2
473.23190	4.8
479.24219	20.0
505.25763	3.2
533.25360	5.8
547.26782	2.9
565.27905	8.7
619.28979	7.0
633.30951	16.9
651.30798	4.0
651.40833	3.2
684.86310	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3163
Annotation	2,9,10,13-Tetraacetoxy-20-cinnamoyloxy-taxa-4(5),11(12)-diene
Peak:m/z	Relative Intensity
53.03948	5.3
55.00769	1.5
55.01871	13.0
55.05514	59.4
67.05499	2.9
69.03430	32.5
69.07056	2.7
69.20711	15.4
71.04974	1.9
79.05479	9.6
81.03430	11.3
81.07041	2.4
83.04986	100.0
91.04977	2.0
91.05498	29.1
91.06045	1.6
93.07057	9.3
95.01324	2.4
95.04967	9.3
95.08602	3.4
103.05453	2.7
105.07040	22.6
107.04955	8.7
107.08586	6.8
109.06532	4.3
109.10191	1.8
115.05470	14.5
116.06232	3.4
117.07026	26.2
119.04906	1.9
119.08584	32.8
121.06493	6.0
121.10135	4.7
128.06183	7.8
129.07008	22.7
130.07831	3.8
131.08569	20.5
133.06445	4.2
133.10135	20.3
135.08031	4.3
141.07001	6.1
142.07776	11.5
143.08577	24.6
144.09357	2.8
145.06494	21.5
145.10118	18.9
147.08054	84.9
147.11710	4.8
149.09610	6.7
153.07025	4.0
154.07747	2.7
155.06042	1.8
155.08586	7.9
156.09344	17.1
157.06540	3.0
157.10127	39.2
158.07318	3.4
159.08067	40.3
159.11700	7.7
161.06053	2.1
161.09630	39.0
163.07545	10.9
165.06987	4.1
166.07817	3.7
167.08588	3.1
169.10155	14.6
170.10928	10.0
170.12173	1.6
171.08089	14.6
171.11696	55.5
173.05983	8.9
173.09637	35.1
175.07567	20.7
175.11168	3.7
177.09070	2.2
179.08510	3.9
180.09340	3.9
181.10120	7.4
182.07242	1.6
182.10789	1.7
183.08154	3.5
183.11697	30.4
184.08893	3.0
185.09659	23.8
185.13248	34.6
187.07532	8.2
187.11180	8.0
189.09079	3.9
189.12770	1.7
191.10686	5.8
192.09215	1.9
193.10143	5.3
194.10904	3.5
195.11731	8.6
196.08922	2.3
197.09601	9.6
197.13257	8.9
198.10445	4.0
199.11191	24.4
200.12003	8.0
201.09117	5.4
201.12700	2.1
203.10670	4.4
205.10187	2.5
206.10962	3.3
207.11732	4.9
208.08858	2.3
209.09648	4.6
209.13249	4.7
211.11145	5.9
213.09186	4.5
213.12758	28.8
215.10699	8.9
217.08630	6.2
217.12224	6.7
218.10991	2.4
219.11761	4.2
221.09515	2.0
221.13264	4.7
223.11209	9.0
223.14778	2.8
225.12712	4.0
227.10672	5.5
229.10294	2.5
229.12256	14.0
230.11115	2.7
231.10063	4.4
231.11864	2.9
231.13783	43.7
233.09583	3.3
233.13342	4.5
235.11121	3.2
235.14746	2.2
237.12700	7.0
239.10692	6.2
241.12233	21.4
242.10817	1.9
243.09949	3.0
243.11935	2.2
243.13857	3.3
244.12491	3.0
245.11499	9.7
246.10255	2.2
247.11205	3.8
247.14864	2.4
249.12778	4.0
251.14442	2.9
253.12250	2.5
256.12561	2.7
257.13419	3.8
258.13885	2.7
259.11133	2.1
259.13220	36.8
260.11911	3.0
261.12677	4.2
263.05792	2.3
265.15750	2.4
268.12561	2.1
269.13171	2.5
270.14127	2.7
271.11093	3.1
271.15036	3.1
272.11987	3.3
272.15289	2.2
273.12714	5.1
273.16290	3.2
274.13638	3.4
275.14325	5.1
276.15024	1.9
277.12189	2.0
283.14755	3.7
284.15659	2.8
285.12747	6.8
285.15958	1.8
286.13455	4.7
287.14197	4.9
288.14877	1.9
289.15762	5.4
294.14038	2.0
297.12604	7.9
298.13504	2.8
299.14224	5.8
299.17725	2.3
300.15036	3.7
301.15851	6.1
302.16574	2.2
303.14053	2.6
303.17395	3.3
311.14270	6.1
312.14960	6.7
313.12503	3.8
313.15884	6.7
314.16660	1.8
315.13962	2.8
315.17493	5.2
317.18942	9.7
326.16690	2.7
327.13901	3.0
327.17395	11.4
328.18143	4.1
329.15271	6.6
329.18872	3.1
331.16721	2.8
331.20395	3.7
334.64926	1.6
339.13782	4.1
340.14548	2.2
341.15115	2.7
341.18903	10.8
345.18658	9.4
347.16397	4.1
354.16107	3.3
357.18594	8.0
359.20139	10.2
369.18549	16.2
375.19623	13.9
377.21161	17.1
387.19577	63.3
405.20624	66.0
423.21713	4.6
447.21497	8.4
455.22055	2.1
465.22824	20.5
473.23550	2.3
491.24182	3.4
533.25299	5.5
551.26556	12.0
565.27985	3.9
578.72632	1.9
633.30365	12.5
651.31189	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	651.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26387	1.8
53.03932	4.7
55.01868	6.1
55.05512	26.1
64.48442	1.9
67.05505	13.0
69.03412	9.1
69.07054	8.3
69.20406	23.0
70.06567	3.6
71.04974	3.9
71.07371	1.8
72.83637	2.1
76.11375	2.2
77.78187	2.0
79.05508	13.0
81.03400	8.1
81.07056	20.8
83.01369	2.4
83.04987	44.4
83.08630	5.2
85.02894	9.7
86.09653	2.1
89.69654	2.0
91.05487	16.0
93.07058	15.0
95.04973	17.0
95.08614	16.4
97.02876	5.6
97.06533	4.9
97.10159	2.2
100.07603	7.5
103.05469	36.1
105.07038	24.3
107.04953	5.3
107.08576	18.9
109.02874	2.7
109.06520	5.4
109.10151	6.6
115.05445	6.2
117.07005	6.4
119.04955	4.1
119.08595	18.4
121.06498	9.4
121.10143	8.2
123.04409	2.4
123.08044	5.3
123.11672	2.6
125.05975	3.7
125.09576	2.5
127.03914	6.8
128.06209	5.6
129.06984	7.0
131.04936	100.0
131.08540	10.8
132.05267	2.2
133.06497	14.7
133.10159	13.0
135.04408	2.9
135.08076	10.1
135.11691	2.0
136.07491	2.2
137.05969	13.1
141.06949	4.6
142.07726	4.9
143.08551	10.8
145.05003	4.4
145.06451	8.7
145.10147	12.9
147.04410	3.3
147.08075	11.9
147.11653	2.8
149.05946	5.2
149.09613	8.2
149.13261	2.5
151.03908	2.5
151.07484	3.6
155.08539	5.1
156.09338	7.5
157.10107	17.2
158.07292	2.6
158.10423	2.4
159.04355	2.5
159.08055	12.0
159.11679	7.4
161.05984	16.5
161.09628	8.8
163.07550	7.1
163.11150	3.7
165.05519	2.8
165.09116	4.0
167.07120	4.7
167.08501	3.1
169.10109	11.5
170.10878	6.5
171.08037	9.2
171.11676	23.3
173.05905	4.1
173.09622	11.0
173.13176	5.7
175.07582	5.1
175.11133	4.2
177.09077	4.9
179.07066	4.9
179.08549	2.0
179.10701	4.4
181.08679	2.4
181.10123	7.0
183.08061	4.5
183.11641	13.1
185.09567	8.3
185.13295	13.1
187.07558	6.1
187.11180	5.9
189.05421	3.7
189.09154	7.2
191.07024	2.9
191.10634	5.7
193.08589	2.6
193.10156	7.2
193.11995	2.2
195.07971	2.5
195.11710	7.1
197.09636	8.3
197.13272	4.3
199.07468	5.3
199.11185	10.6
199.14833	2.3
200.11879	5.1
200.22328	2.0
201.05606	2.1
201.09103	6.0
201.12712	5.5
203.10681	2.8
204.09346	2.9
205.08519	2.8
206.10889	3.2
207.11809	4.7
209.09569	3.1
209.13210	8.3
211.11214	8.0
213.09106	6.4
213.12672	13.8
215.10599	6.4
217.08549	7.2
217.12199	4.9
218.11011	2.8
219.11748	4.0
220.12476	2.9
221.13292	7.4
222.10345	3.2
223.11206	2.9
223.14700	3.9
225.09145	5.6
227.10812	3.3
229.12192	6.9
231.09906	3.1
231.11852	3.8
231.13690	10.8
233.13287	4.2
235.14789	3.9
237.09158	4.0
237.12740	3.9
239.10732	2.3
239.14282	2.4
241.08543	2.8
241.12300	4.2
243.06528	11.6
243.09975	3.1
243.13817	3.4
244.12389	3.2
245.07996	6.7
245.13266	6.8
246.14120	3.5
247.15077	3.2
249.12625	3.0
249.16501	3.4
251.14409	2.9
258.14130	2.8
259.13300	7.7
260.15591	2.5
261.12833	4.7
261.16403	7.3
262.13220	2.1
263.10934	2.4
263.18143	2.4
265.08548	3.0
265.15805	2.6
273.12711	2.7
273.16299	2.4
275.13602	1.9
275.17715	2.9
277.15964	4.0
279.13968	2.5
287.09280	4.2
287.14249	3.8
289.10815	2.4
289.15872	2.9
291.17438	4.1
293.08136	3.5
293.18909	2.7
298.13586	2.8
303.17166	2.8
305.10510	2.8
305.15118	2.2
309.18512	2.7
311.20099	3.1
313.15921	3.9
319.16644	3.1
321.18423	12.4
322.14990	3.7
325.10663	14.8
327.17374	2.8
331.16974	5.9
337.10785	3.0
337.17871	4.1
339.19620	10.8
345.18549	3.4
349.17841	4.0
357.13467	3.1
357.20563	5.4
359.16388	5.8
363.19354	4.3
367.19055	2.8
373.17914	6.3
377.17413	9.3
379.19302	2.8
381.20599	3.1
391.19098	9.8
395.18369	5.6
397.19925	3.1
399.21524	3.4
401.17358	6.3
409.19968	9.0
413.19135	2.9
419.18506	14.8
437.19659	25.1
449.16000	4.7
455.20630	20.3
467.16891	6.7
473.21719	7.6
485.18137	10.7
497.21310	7.7
515.22589	8.3
517.27612	4.5
555.25769	2.8
615.29016	5.1
633.22705	2.5
651.28949	3.2
651.64392	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	651.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.6
54.30333	3.6
55.01868	8.6
55.05515	51.2
57.03434	4.1
64.28400	3.5
67.05515	25.6
69.03429	12.1
69.07061	13.5
70.06594	7.0
71.04977	4.8
71.55768	4.1
73.02972	4.0
79.05495	32.2
81.03406	14.1
81.07062	41.2
83.04991	68.4
83.08613	4.9
85.02900	11.3
85.06536	7.0
86.09721	3.8
91.04995	4.5
91.05474	27.5
93.07058	31.8
95.04968	31.3
95.08602	37.2
97.02911	7.6
97.06511	10.7
97.10159	4.8
99.04444	4.6
100.07606	27.7
101.02363	3.8
102.81682	4.0
103.05476	50.5
105.03391	5.8
105.07034	45.9
107.04968	12.8
107.08597	24.4
109.02852	6.0
109.06514	17.5
109.10133	22.8
111.04425	6.4
111.08143	4.0
115.05501	10.0
117.07023	13.7
119.04919	6.4
119.08593	35.4
121.06517	17.4
121.10144	16.2
123.04422	4.5
123.08050	6.1
123.11687	3.7
125.09612	7.0
128.06177	8.5
129.07045	18.8
131.04938	100.0
131.08589	24.4
133.06483	25.6
133.10144	28.8
135.04407	7.1
135.08043	17.6
135.11679	9.4
136.06253	7.5
137.05998	9.7
137.09537	4.8
141.07011	6.0
142.07797	9.0
143.08588	24.9
145.04933	5.6
145.06522	19.9
145.10149	20.5
147.04381	3.9
147.08057	23.3
147.11685	8.3
149.06007	10.4
149.09619	15.7
151.07507	6.3
154.07877	4.2
155.08545	13.5
156.09349	13.8
157.06496	4.5
157.10179	33.7
159.08101	18.3
159.11693	12.9
161.06020	31.6
161.09612	15.3
162.09930	3.7
163.07573	14.3
163.11217	8.3
165.09183	9.7
167.07138	6.9
167.08543	8.4
169.10098	25.0
170.10957	7.2
171.08072	12.9
171.11717	58.7
173.09613	20.5
173.13257	9.1
175.07565	8.2
175.11166	9.2
177.09128	9.1
179.07083	7.1
179.08553	9.2
180.09358	4.6
181.10110	11.7
182.10873	7.3
183.08041	5.2
183.11728	32.0
185.09644	17.2
185.13266	35.1
187.07579	14.8
187.11256	12.9
187.17102	4.4
189.05492	9.1
189.09157	6.4
189.12735	3.9
191.10707	10.6
193.08626	4.5
193.10210	5.0
195.07956	4.6
195.11734	20.6
197.09586	9.7
197.13293	15.6
198.10364	4.3
199.07518	4.7
199.11162	32.3
200.11926	5.5
201.09117	7.8
201.12717	13.8
203.10645	7.5
205.10184	5.6
205.12042	4.3
207.11737	13.3
209.09750	6.2
209.13223	11.4
211.11151	10.5
213.09122	7.2
213.12737	37.4
215.10690	12.6
217.08543	10.3
217.10376	5.3
217.12192	5.5
218.88620	4.3
219.11719	5.1
221.13301	9.0
223.11232	6.3
225.09206	8.5
225.12723	6.6
227.10701	4.7
229.12247	16.1
231.11833	7.5
231.13805	26.1
232.12497	5.6
233.13438	4.5
235.14961	8.0
237.12674	5.1
239.10779	4.3
241.12289	10.1
243.06412	18.8
243.13826	8.3
245.07968	4.8
245.13269	10.1
246.13977	4.8
247.14810	11.1
249.16458	5.4
251.17992	6.7
255.13931	4.3
257.15607	5.0
259.13159	26.6
260.11966	4.5
261.16553	9.5
263.18082	6.0
265.15982	4.1
265.19571	5.6
273.12650	6.6
273.16226	5.5
274.13571	4.0
277.14435	8.0
279.13974	6.1
279.17285	4.6
281.15872	4.0
285.16339	4.1
287.09229	11.1
287.14230	6.5
289.15848	7.1
291.17426	9.0
293.18954	7.5
295.17212	5.2
303.17346	7.0
307.16870	8.2
309.18552	6.3
311.20081	6.8
313.15521	5.5
317.15369	8.4
319.16879	5.7
321.18488	17.0
322.14948	12.5
329.15219	6.1
331.16919	11.0
335.16513	5.4
337.18100	5.7
339.19537	23.0
345.18375	6.6
349.18048	13.7
355.16968	5.7
357.20551	15.0
359.16486	11.6
363.19635	9.1
367.22787	5.0
373.18188	18.0
377.17368	15.9
378.18140	6.8
381.20511	7.1
385.23758	7.4
391.19153	22.5
395.18500	13.3
397.19913	8.9
399.21500	8.0
401.17508	13.9
403.25107	4.6
409.19934	16.1
419.18448	35.1
427.21008	8.7
437.19678	46.8
449.16052	6.1
451.21329	5.7
455.20627	46.3
459.27295	11.7
467.16699	6.1
473.21646	21.9
477.28345	7.0
479.20273	8.4
497.21335	19.4
515.22644	17.2
517.27979	6.8
533.23450	8.3
555.26575	4.7
573.26868	5.3
587.77405	4.9
597.26880	5.0
633.29022	5.6
651.27002	4.8
655.41907	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	651.2812
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
54.58343	0.4
55.83858	0.3
57.08857	0.4
59.57178	0.4
67.05483	0.7
69.51000	1.4
69.51430	1.2
79.05491	0.6
93.07051	0.5
95.08598	0.6
98.21484	0.8
109.10142	0.6
119.08617	0.4
143.92262	0.5
183.09193	0.4
194.09753	0.4
195.09166	1.0
196.09869	0.7
207.09048	0.4
208.10002	0.5
209.10768	1.4
210.11481	0.6
211.08725	0.7
211.12427	1.0
221.10745	0.4
222.11517	0.5
223.08815	0.9
223.12248	1.4
224.13081	0.8
225.10268	1.0
225.13846	0.6
233.10820	0.4
235.08742	0.4
237.10251	1.8
239.11832	1.5
250.11172	0.9
251.08203	1.5
251.11833	1.6
252.12621	0.5
253.13423	0.6
264.75458	0.4
265.09726	1.1
265.96039	0.3
279.11426	0.5
283.10809	0.7
296.11368	0.4
310.13321	0.5
352.14362	0.5
361.87231	0.5
375.15933	0.5
384.17166	0.6
391.19366	1.3
391.93970	0.4
401.17453	0.4
403.15463	1.3
404.16486	0.5
405.17081	1.2
406.22144	0.7
417.17227	1.4
418.17975	1.2
419.18509	2.8
429.16998	0.7
430.17792	1.0
431.14169	0.6
431.19275	0.7
432.15369	0.6
433.15314	0.6
433.21072	2.2
434.21201	2.3
444.19714	0.6
445.20248	1.3
446.17133	0.8
447.17661	3.1
459.17844	0.6
460.18405	0.5
461.19525	4.0
462.13983	0.5
462.20477	9.6
463.21002	0.8
472.19516	0.5
473.19989	0.6
475.16745	2.0
488.18091	0.5
489.18677	3.2
490.20084	3.3
491.20737	1.0
503.20273	0.7
505.22412	1.6
507.24710	0.4
507.50284	0.4
516.21448	0.7
518.19543	0.4
521.26056	0.7
531.24152	0.9
533.22162	1.3
535.23627	0.5
547.23309	1.3
548.24225	5.1
549.25439	2.4
559.23834	0.6
561.21588	0.8
563.26489	1.9
565.24371	0.6
576.23602	2.6
577.24261	1.4
591.25916	6.3
592.25824	0.7
593.23840	0.5
596.44598	0.5
608.26001	0.7
619.25299	0.7
623.28546	2.0
636.25555	1.2
651.28113	100.0
652.28516	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	651.2808
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
52.83831	0.5
55.05502	1.4
57.07072	1.0
67.05521	2.9
67.13992	0.6
69.07061	1.4
69.28839	5.1
71.08617	0.8
79.05489	2.2
81.07075	3.1
83.04993	0.6
83.08650	0.9
85.14262	0.5
91.05473	2.2
93.07043	2.3
95.08609	2.4
105.07049	1.3
107.08590	1.2
109.10165	0.9
117.07080	0.6
119.08591	1.2
121.10165	1.4
131.08572	0.8
134.08447	0.6
135.11693	0.7
136.51627	0.6
162.05566	0.6
182.09747	0.8
193.07642	1.3
194.08232	0.6
195.09187	3.2
196.09915	1.6
197.10788	1.8
207.09239	2.0
208.09830	2.6
209.07236	0.7
209.10735	4.9
210.11435	2.9
211.12338	2.4
212.13063	3.2
221.07138	0.9
221.10840	1.9
222.11578	1.5
223.08751	2.9
223.12300	6.4
224.09462	5.2
224.13004	3.3
225.10286	2.2
225.13882	10.2
226.14732	1.8
227.15352	1.3
233.10733	1.0
235.08748	2.0
236.05574	0.8
236.09488	0.8
237.06546	0.9
237.10254	3.4
237.13814	0.6
238.11136	0.7
239.08171	1.1
239.11703	0.7
241.09830	0.7
249.06390	0.6
249.10393	0.8
250.11159	0.7
251.08138	1.1
251.11780	6.8
252.12640	1.5
253.06389	0.6
253.09760	0.6
253.10710	0.7
253.13371	7.0
255.07715	1.0
255.11375	1.2
256.12354	0.6
259.20709	0.6
263.08142	1.4
265.06094	3.1
265.09836	1.2
267.07822	0.6
269.12973	4.8
270.13736	0.7
277.06152	1.1
278.06964	0.6
279.08374	0.6
279.11218	3.2
281.09201	1.3
283.07150	1.8
283.10480	1.0
291.07767	2.5
293.09268	0.7
295.07239	1.1
297.08911	1.0
297.12430	2.4
311.14151	0.7
323.06787	3.0
324.11545	0.7
325.11960	1.0
326.12927	0.7
328.64001	0.6
337.27298	0.8
339.13708	0.7
339.28986	2.0
340.29526	1.0
341.07800	2.5
351.09909	2.8
354.16260	0.8
366.16345	0.7
368.09839	0.7
369.10864	1.4
382.15759	0.8
386.15582	0.5
401.17755	0.7
403.15204	0.6
410.15195	0.6
419.18872	0.7
430.18027	0.7
443.18802	1.0
445.16028	1.0
445.21100	1.0
446.17502	1.0
447.17728	0.9
452.16315	0.6
457.20575	1.2
459.18076	1.3
461.19727	1.7
462.20306	1.8
470.17148	0.9
473.19907	1.3
475.21365	1.1
477.23080	4.0
484.18814	3.9
485.19879	1.0
489.19031	1.8
501.19379	1.1
502.19800	1.1
503.20468	0.9
517.22296	2.1
519.20422	0.8
522.38556	0.6
529.18811	0.8
531.23633	1.1
533.21564	1.8
539.40228	0.7
545.21814	1.1
547.19812	0.9
548.23932	0.8
549.25061	0.7
559.23383	1.7
561.21484	2.1
563.25793	1.0
564.23547	1.5
565.48987	0.7
576.23822	2.3
587.22827	0.8
591.26093	23.4
619.25574	5.6
636.25909	1.0
651.28149	100.0
652.28259	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	4.2
53.03938	10.6
55.01872	4.7
55.05520	30.9
63.63556	4.5
67.05493	10.6
69.03415	7.7
69.07082	6.5
69.30294	7.8
69.30695	28.9
69.81498	3.7
74.16493	4.3
79.05492	19.1
81.03422	6.8
81.07045	12.8
83.04987	52.0
86.92833	3.4
90.84360	3.7
91.05476	37.4
93.07041	13.3
95.04993	21.2
95.05472	4.1
95.08599	11.4
97.49148	3.9
98.20774	5.9
103.05476	48.7
105.03410	95.2
105.04486	5.4
105.07038	39.7
107.04963	7.2
107.08602	15.6
109.06514	7.8
109.10187	4.0
112.29790	3.5
115.05457	9.0
117.07035	23.9
119.04939	6.1
119.08583	40.0
121.06534	9.7
121.10143	8.9
123.08028	9.1
128.06252	6.9
129.06975	17.2
131.04945	100.0
131.08600	30.1
133.06520	25.5
133.10133	20.5
135.08017	10.9
141.06906	5.3
142.07774	15.4
143.08606	21.7
145.06459	13.5
145.10120	18.8
147.08055	25.6
147.11598	6.5
149.06013	6.4
149.09607	12.1
155.08588	13.3
156.09393	21.3
157.10162	65.7
159.04414	5.1
159.08093	21.6
159.11731	47.0
161.05980	30.5
161.09637	15.1
161.13498	3.6
163.07544	10.6
163.11221	5.5
165.09184	5.3
167.08548	6.2
168.09232	4.1
169.10184	25.7
170.10870	14.7
171.08049	16.5
171.11699	71.5
172.08894	7.3
173.06020	6.2
173.09685	17.7
173.13257	13.8
175.07607	20.6
175.11185	6.6
177.05461	6.8
177.09190	9.6
179.07050	7.3
179.08536	7.5
180.35905	3.9
181.10143	9.6
183.08183	4.9
183.11703	59.1
185.06024	5.2
185.09624	15.6
185.13292	47.8
187.03967	5.0
187.07597	10.8
187.11232	20.4
189.05478	6.6
189.09137	5.6
191.07011	6.8
193.08562	13.1
193.10201	8.7
194.10904	6.6
195.08047	5.0
195.11737	10.1
197.09615	14.6
197.13268	16.5
198.10333	6.2
199.07478	7.1
199.11147	26.7
201.09160	6.6
201.12749	14.4
202.07927	4.2
203.10793	4.1
205.04910	5.3
205.10204	4.6
206.10948	7.5
207.11685	11.3
208.12428	6.1
209.09743	9.7
209.13246	10.3
211.11238	18.4
213.09032	5.9
213.12781	26.7
215.08879	4.0
215.10751	10.5
215.14328	3.5
217.10338	6.2
217.12349	8.0
218.10942	5.0
219.11760	9.8
220.12444	6.4
221.13271	16.1
222.13968	4.4
223.11191	8.6
223.14781	4.4
225.12756	8.5
227.10646	10.2
229.10231	8.0
229.12280	19.6
230.10843	6.6
231.11742	8.0
231.13850	15.3
232.09073	4.6
232.12265	6.1
233.09647	5.7
233.13243	14.3
233.15419	9.1
234.10320	4.5
235.11183	6.6
235.14853	8.3
237.12703	8.0
239.10587	6.2
241.12251	9.3
243.11700	9.3
243.13809	18.0
244.12521	5.0
245.13391	9.4
245.15434	16.0
246.10378	5.4
246.14005	6.9
247.11198	9.1
247.14885	7.6
249.12852	7.1
251.10612	7.3
255.11626	5.9
255.13899	5.0
256.12378	7.1
257.13474	7.7
258.14154	9.4
259.13406	11.6
260.15622	4.4
263.10480	4.0
263.16599	4.4
269.13171	5.9
271.15112	7.2
273.12582	6.4
273.16290	6.3
275.14447	4.9
283.15048	5.1
284.15628	5.3
285.12711	10.1
285.16281	8.3
286.13446	4.3
287.10480	5.2
287.14365	6.1
287.17819	5.4
289.15939	7.2
293.15451	6.2
297.12817	5.7
297.16321	3.9
298.13422	5.7
299.14264	7.8
301.12506	4.8
301.15829	11.7
302.12906	7.2
303.13812	8.3
303.17142	8.3
305.14191	4.8
311.14294	5.3
313.15839	4.8
315.13855	7.1
315.17477	8.3
317.15359	15.6
319.16803	8.9
326.13083	4.6
327.17441	7.1
329.15292	15.8
331.16876	15.8
335.16403	9.6
341.15329	6.2
343.16821	12.3
345.14911	12.0
345.18668	9.4
347.16418	14.3
349.17804	6.7
355.16910	5.1
357.18710	5.2
359.16342	15.7
361.18079	15.9
363.19748	4.7
368.25162	4.5
371.16199	14.1
373.17908	12.9
375.19553	5.5
377.17395	17.7
387.15317	6.5
387.19534	14.8
389.17395	16.6
391.18927	10.6
401.17432	6.2
403.19086	7.8
405.20590	13.1
407.18625	10.1
408.18246	4.9
409.19876	20.0
415.19211	4.3
417.16959	14.3
419.18576	25.0
421.20386	19.3
431.18732	10.4
433.20047	16.2
435.17960	9.2
437.19681	34.7
439.20987	7.4
449.19574	43.1
451.21140	10.2
453.19180	5.5
455.20920	8.3
467.20740	52.2
469.22305	9.9
485.21750	74.9
503.22858	7.5
633.27185	12.9
651.28485	10.3
661.47205	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	651.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	3.8
53.03951	10.7
55.01878	6.6
55.05508	10.2
67.05499	8.1
69.03447	3.4
69.07072	6.7
70.85332	8.0
77.99347	2.6
79.05494	13.0
81.03407	3.4
81.07043	8.9
81.09708	3.8
82.09187	3.3
83.04974	12.1
87.55848	3.2
91.05482	23.0
93.07068	17.3
95.04982	17.9
95.08597	7.7
95.83217	3.1
96.41410	3.1
97.06504	3.8
99.04475	3.2
101.91571	3.5
103.05475	42.6
104.98300	2.8
105.02711	6.6
105.03400	100.0
105.04485	6.2
105.07030	38.6
107.04966	6.6
107.08600	11.9
109.06520	6.9
115.05454	9.1
117.07026	21.8
119.04969	4.3
119.08586	37.2
121.06512	3.5
121.10124	6.4
121.70673	3.2
128.06210	7.6
129.07025	10.4
130.07826	3.2
131.04929	63.4
131.08585	27.8
133.06490	26.5
133.10156	19.5
135.08034	8.6
135.11745	3.6
142.07803	13.8
143.08582	22.3
145.06499	12.8
145.10115	17.7
147.08051	20.0
149.05981	5.8
149.09607	9.8
151.07564	4.4
155.08571	10.8
156.09334	19.6
157.06537	5.1
157.10135	49.4
159.04462	6.9
159.08072	15.0
159.11716	27.0
161.05977	30.4
161.09633	18.3
163.07558	8.4
163.11227	6.2
165.06993	6.7
166.07738	4.2
167.08629	7.1
168.09314	4.0
169.10129	24.3
170.10919	17.1
171.08087	11.7
171.11694	67.9
172.08788	4.5
173.06056	4.0
173.09668	16.4
173.13269	12.3
175.07590	17.5
175.11157	6.0
177.05508	4.8
177.09096	8.7
179.07037	9.2
179.08485	5.2
181.06375	3.1
181.10117	8.7
182.10918	4.7
183.08130	7.0
183.11725	43.9
185.09660	15.8
185.13272	60.2
187.07582	6.6
187.11266	15.4
189.09126	4.7
191.10789	4.7
193.08633	8.7
193.10205	9.3
194.10966	4.2
195.08093	4.9
195.11707	11.6
197.09656	11.9
197.13274	10.1
198.10402	4.0
199.07524	7.1
199.11232	27.1
200.11928	4.3
201.09175	8.6
201.12770	12.7
203.10695	4.0
205.04965	5.3
205.12204	5.8
206.10999	4.2
207.11732	11.1
208.12485	4.5
209.09608	9.0
209.13239	9.0
211.11180	13.3
213.09189	8.7
213.12753	48.1
215.10641	5.6
215.14270	3.7
217.08528	5.3
217.12213	5.9
219.11659	7.5
219.13690	5.4
220.12563	5.1
221.09712	4.5
221.13318	11.8
223.11234	8.7
223.14751	4.9
225.12796	5.5
226.09827	3.4
227.10678	5.2
229.12170	18.6
229.14284	3.4
230.10814	4.3
231.11708	9.2
231.13826	13.3
233.13341	6.1
233.15453	7.7
234.13806	4.5
235.11209	8.0
237.12842	5.3
239.10641	4.4
241.12242	7.9
243.11699	8.5
243.13951	8.5
244.12474	6.5
245.13237	8.7
245.15363	26.8
247.11177	3.8
247.15062	4.3
249.12703	4.5
251.10797	4.2
255.11694	7.8
255.13988	3.7
256.12494	3.9
257.13303	12.8
258.13998	4.7
259.15128	7.5
260.12009	5.3
261.12717	6.2
263.16446	5.2
268.12363	5.5
269.13235	6.8
270.14099	6.9
271.15097	6.2
272.15640	5.4
273.12436	5.9
273.14963	12.7
275.10641	3.7
277.15643	3.3
280.12561	3.5
283.11365	4.9
283.14914	6.2
284.11899	5.4
285.12692	8.9
285.16306	11.2
287.14529	7.5
287.17767	7.4
289.15775	5.1
291.16061	7.8
297.12640	7.3
297.15988	3.7
298.13403	4.7
299.14008	3.4
301.11868	3.8
301.15909	4.8
303.13876	6.2
303.17245	4.5
313.16031	7.6
315.17453	4.9
317.15384	11.4
319.16931	6.1
327.17612	9.5
329.15521	7.3
330.16241	4.1
331.16840	16.1
333.18698	3.9
341.15427	13.2
343.16690	4.0
345.14719	4.1
345.18530	12.2
347.16473	9.6
349.18057	7.9
355.16940	13.8
357.18726	4.2
359.16479	23.4
361.17984	8.2
363.19775	4.7
371.16318	4.6
373.17880	30.9
375.19543	4.9
377.17456	13.5
383.16299	9.0
387.19641	4.4
389.17529	6.7
391.19113	20.4
401.17462	27.6
405.20813	11.1
407.18451	6.1
409.20056	6.3
415.19043	9.2
417.17120	4.1
419.18536	34.1
421.19791	9.2
423.21973	5.3
431.18524	5.7
433.20078	34.4
435.18115	4.2
437.19675	25.4
449.19458	16.5
451.21039	22.9
455.20514	4.3
467.20795	21.4
469.22369	7.5
479.20398	7.7
485.21939	26.5
503.22687	3.9
511.23279	3.8
601.24115	4.1
651.27679	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	651.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.9
53.03953	13.0
53.77907	2.2
55.01865	3.0
55.05514	13.8
60.98563	2.2
67.05494	6.1
69.03419	8.5
77.03951	2.2
79.05500	10.9
79.15118	2.3
80.29185	2.2
81.03428	8.0
81.07059	4.3
83.04987	30.5
91.05479	21.9
93.07063	13.4
95.01333	11.3
95.04969	21.4
95.08606	5.3
103.05481	7.8
105.03397	100.0
105.04492	5.6
105.07046	23.9
107.04941	4.0
107.08603	8.1
109.06493	5.9
115.05468	7.7
117.07030	9.7
119.04949	4.3
119.08582	21.6
121.06516	8.5
121.10134	6.8
123.08138	3.2
128.06216	6.9
129.06993	10.2
130.07852	3.5
131.04941	9.2
131.08556	12.9
133.06488	14.0
133.10156	14.4
134.07280	3.0
135.04385	4.2
135.08104	5.8
141.06978	5.3
142.07806	7.3
143.08577	15.6
144.05783	2.6
145.06517	11.9
145.10165	14.0
147.08070	13.6
147.11690	5.4
149.06012	5.3
149.09622	6.8
155.08568	10.3
156.09361	15.0
157.06531	3.2
157.10144	25.3
159.04417	3.6
159.08034	14.7
159.11699	8.2
160.05370	2.6
161.06032	22.7
161.09627	14.7
162.06767	10.2
165.07031	5.4
165.09158	5.3
167.08572	7.1
168.09389	3.2
169.06316	3.2
169.10146	17.5
170.10873	15.5
171.08118	15.2
171.11673	39.6
172.08893	2.4
173.06000	5.7
173.09653	12.8
173.13260	6.0
175.07524	4.1
175.11162	5.2
177.05469	8.0
177.09093	2.7
178.06313	3.3
179.07115	3.5
179.08556	4.1
181.10081	5.6
182.10970	3.3
183.08113	8.6
183.11690	33.0
184.08786	2.4
184.12410	2.5
185.09587	8.7
185.13245	36.9
187.07561	6.1
187.11154	8.6
189.05482	4.8
189.09184	3.3
190.06259	3.5
191.08592	3.3
193.10156	6.1
195.08092	3.6
195.11713	10.5
196.08783	3.0
197.09616	7.0
197.13307	8.0
198.10402	2.9
199.07562	6.5
199.11220	13.8
200.08284	4.3
200.11955	2.7
201.09155	3.3
201.12796	7.5
206.10954	4.1
207.11745	6.0
209.09616	7.5
209.13263	3.0
211.11195	7.9
213.09183	10.2
213.12740	40.5
215.10643	5.8
219.11772	3.4
221.09692	3.1
223.11165	6.9
223.14816	3.0
224.11972	3.4
225.09081	3.6
225.12927	4.1
227.10680	4.5
228.07819	5.0
229.12215	5.3
231.11905	3.1
231.13802	6.0
233.09534	3.6
235.11137	3.7
235.14807	4.0
237.12720	6.5
241.12221	6.0
243.11682	4.3
243.13783	7.1
245.09592	4.2
245.13333	3.5
245.15379	13.3
247.11143	5.4
249.09351	3.2
249.12654	5.7
251.10715	3.1
255.13881	4.3
256.12378	4.8
257.09406	3.0
259.11121	4.5
260.11847	3.0
261.12708	6.0
263.10712	4.3
263.14258	3.0
265.12469	3.2
269.13165	3.5
270.10400	2.7
271.11084	6.3
272.12012	6.3
273.14932	11.0
275.14334	4.6
277.11996	3.5
283.11041	3.0
284.11917	2.9
285.16309	2.6
286.13547	5.3
287.10773	2.6
287.14459	5.6
291.15933	7.3
297.12531	4.6
298.13492	3.8
299.14423	5.8
300.14890	3.7
301.12393	4.8
301.15875	8.1
303.13889	3.7
303.17297	3.3
311.14154	3.0
313.12338	3.0
313.15857	10.6
315.13751	6.2
315.17453	4.6
316.14322	3.4
317.15408	6.5
317.18854	2.6
325.16071	3.1
327.17383	4.4
329.15472	4.1
331.16922	8.4
341.15543	5.7
343.16895	8.4
345.18497	6.0
347.16647	4.6
355.16867	6.1
357.18607	4.3
359.16476	6.2
365.16888	2.6
373.18069	12.6
374.18832	5.0
375.19684	5.0
377.17599	9.2
385.18048	3.2
391.19183	4.4
401.17468	5.1
402.18225	4.9
403.19061	4.0
405.20578	4.7
407.18277	4.1
415.19281	4.7
417.20682	4.7
419.18472	7.4
433.20313	6.1
435.21646	6.1
451.21155	10.7
462.20187	12.0
469.22681	3.1
511.23532	4.5
617.27423	8.6
633.26770	12.5
651.30420	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	651.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07077	2.6
50.21764	2.5
51.02391	2.4
53.03941	6.1
55.01870	3.6
55.05510	22.0
57.03429	2.3
57.13661	2.4
59.45158	2.4
60.64226	2.5
67.05480	8.9
69.03442	5.6
69.25871	2.5
69.26218	25.1
78.08321	2.4
79.05490	11.1
81.03426	3.8
81.07052	7.8
83.04989	31.9
86.74471	2.5
91.05483	18.4
91.78209	2.3
93.07055	12.8
95.05002	12.8
95.08601	7.0
97.06518	3.1
103.05482	53.9
105.03426	27.9
105.04494	3.4
105.07042	27.0
107.04938	3.5
107.08593	10.7
109.06494	6.5
109.10120	3.2
115.05457	5.8
116.06464	2.3
117.07030	9.4
119.04969	2.7
119.08582	27.3
121.06485	4.8
121.10152	10.5
123.08062	5.4
128.06221	4.3
129.07022	8.0
131.04939	100.0
131.08578	11.8
132.05255	5.9
133.06499	14.3
133.10152	13.4
135.08040	9.5
136.70064	2.3
139.68399	2.7
141.06984	5.3
142.07788	6.0
143.08548	17.7
145.06479	4.6
145.10130	11.3
147.08044	10.7
149.05956	4.8
149.09637	17.4
155.08521	8.7
156.09305	9.8
157.06485	3.9
157.10138	29.4
159.04440	3.8
159.08049	9.6
159.11688	22.5
161.05991	15.0
161.09639	8.8
163.07507	5.2
163.11108	3.2
165.09019	3.3
167.08521	4.4
169.10150	12.7
170.10936	6.3
171.08066	5.3
171.11690	30.9
173.09625	11.2
173.13210	7.6
175.07515	9.7
175.11041	3.4
177.09123	7.3
178.07690	2.6
179.07057	3.9
179.08598	6.9
181.10132	7.2
183.11690	27.5
185.09575	8.1
185.13316	22.9
187.07571	2.7
187.11249	12.6
189.09068	2.8
192.09317	3.2
193.10147	7.8
194.10896	3.7
195.11700	9.0
197.09650	9.6
197.13303	6.7
199.11195	9.3
201.12740	8.1
203.10635	3.6
207.11682	8.3
209.13269	6.1
210.10432	2.6
211.11217	7.0
213.12808	14.3
215.14255	2.7
217.10252	4.1
217.12221	2.7
218.10895	3.6
219.11737	5.9
219.13678	3.8
220.12474	4.0
221.13272	8.2
223.11154	4.2
223.14810	3.4
225.12675	3.7
227.10750	6.3
229.12276	11.3
231.11787	5.3
231.13800	5.7
232.12439	5.5
233.13208	8.1
233.15434	5.6
235.11333	3.2
235.14825	6.5
237.12743	3.9
239.14320	3.3
241.12236	2.7
243.13812	5.5
244.12556	3.7
245.13397	5.4
245.15462	4.2
246.14067	5.2
247.14812	9.0
249.12698	3.7
249.16496	4.8
259.14948	4.1
260.15463	2.8
261.16605	4.0
262.13623	3.2
263.14243	4.7
265.12180	3.8
265.15842	3.7
271.14880	3.3
273.16461	3.0
274.13513	4.2
275.14481	3.2
275.17816	3.6
277.15897	5.0
279.17703	2.9
283.14496	2.8
285.12445	2.7
285.16306	3.5
287.14435	4.0
287.17728	2.8
289.15735	4.1
299.14618	2.7
301.15894	5.3
303.17227	4.3
305.15509	4.6
313.15771	4.3
315.17352	3.0
317.15421	4.6
319.17010	3.7
321.18353	6.5
327.13818	3.3
327.17371	3.8
329.15204	2.7
331.16873	7.2
333.18704	4.8
335.16144	3.5
337.17703	2.6
341.15338	2.9
343.17099	3.9
345.18414	9.1
347.16330	4.9
349.18097	5.7
355.16916	3.0
359.16342	7.3
361.17981	6.7
363.19482	8.2
367.19141	3.6
373.18097	11.6
375.15607	3.0
375.19815	3.1
377.17233	10.5
379.19031	3.7
389.17200	4.8
391.18884	8.9
393.20731	3.4
395.18338	3.2
403.19293	4.9
405.20862	5.4
406.21295	3.3
407.18213	5.9
409.20029	6.1
411.21524	4.9
417.16858	3.7
419.18503	6.5
421.20090	7.7
423.21725	4.8
427.21161	5.6
433.19852	8.0
437.19455	9.4
439.20947	6.6
445.22137	16.3
449.19659	6.4
451.21130	12.9
455.20227	4.2
467.20584	11.0
485.21500	13.6
503.22687	18.9
633.26422	7.1
651.27094	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	651.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.4
53.03943	9.3
55.01873	16.1
55.05515	6.5
67.05492	6.6
69.03416	6.8
71.54982	2.3
72.51636	2.1
79.05513	12.0
80.26118	2.1
81.03426	13.2
81.07051	7.1
83.04964	10.5
91.04966	3.0
91.05483	34.8
91.72709	2.3
93.07043	9.5
95.01328	2.7
95.04967	20.3
95.08595	3.6
97.59509	2.2
103.05443	12.6
105.03400	100.0
105.04469	4.1
105.07043	23.6
107.04960	6.2
107.08598	10.1
109.06543	5.9
115.05461	13.8
117.07037	25.8
119.04956	3.7
119.08604	37.1
121.06522	9.0
121.10169	4.3
122.54362	2.1
123.08045	2.9
128.06226	9.9
129.07007	22.4
130.07755	3.4
131.04944	23.5
131.08577	19.4
132.05272	2.5
133.06509	6.3
133.10094	11.7
135.08051	9.6
141.06998	4.0
142.07755	7.4
143.08554	21.7
144.09315	2.4
145.06525	22.6
145.10143	18.3
147.08058	87.8
147.11708	3.0
149.09598	9.0
153.07033	3.7
155.08553	7.5
156.09349	10.0
157.06403	3.5
157.10144	48.1
158.07323	4.6
159.08057	25.9
159.11682	18.7
161.06009	6.0
161.09619	24.4
163.07547	66.8
163.11137	2.7
167.08549	7.8
168.09337	6.2
169.10150	19.3
170.10857	4.4
171.08110	13.8
171.11710	46.3
173.05981	4.7
173.09651	27.7
173.13254	6.2
175.07570	21.5
175.11163	7.0
177.09085	5.5
179.07077	2.8
179.08568	5.5
179.10582	2.2
181.10095	8.8
182.11040	3.8
183.08107	4.7
183.11699	49.6
184.08794	2.7
185.09625	20.3
185.13326	12.7
187.07518	4.4
187.11217	11.6
187.14825	2.3
189.09119	6.1
193.10181	7.4
194.10884	4.3
195.11681	7.2
197.09636	10.0
197.13278	6.9
198.10471	2.3
199.07721	2.9
199.11194	29.9
201.09131	10.1
201.12793	7.5
203.10663	5.9
205.10117	2.9
206.10976	2.8
207.11717	8.7
209.09601	5.1
209.13300	4.9
211.11209	11.7
211.14732	2.5
213.09082	7.3
213.12804	13.1
215.10715	5.6
217.08499	4.7
217.10451	2.7
217.12238	8.0
219.11797	3.3
221.13306	7.2
223.11140	8.3
223.14827	2.4
227.10678	15.9
229.12234	11.6
230.10890	3.3
231.09944	3.8
231.11900	3.9
231.13681	11.0
232.12338	3.9
233.15292	3.5
235.11191	4.3
237.12703	6.3
239.14339	3.8
241.12315	7.1
243.11679	5.1
243.13826	5.4
244.12512	5.5
245.11736	7.3
245.15370	4.7
247.11165	3.3
247.15063	3.9
251.14388	3.3
257.13364	3.6
259.13239	18.1
260.12164	3.5
260.15201	2.4
261.12640	4.5
261.15060	3.1
263.14453	3.9
269.13376	3.4
270.13971	4.5
271.14880	5.1
273.12814	6.4
275.14313	6.4
277.14444	5.3
283.11145	4.8
285.12677	5.8
285.16388	4.4
286.13446	5.1
287.13007	5.3
288.14850	3.2
289.12036	2.7
289.15985	3.5
297.12836	4.7
298.13507	6.9
299.14264	8.8
301.12112	2.7
301.15997	4.8
303.13751	3.2
303.17358	7.7
305.13745	3.7
312.14999	5.3
313.15805	9.5
315.17331	12.9
317.15692	2.8
317.19019	5.5
327.17422	14.1
329.19061	5.3
331.16809	10.6
333.18594	3.3
335.16412	3.0
345.18521	12.2
347.16397	4.9
349.18137	4.4
355.16714	4.1
357.18463	5.1
359.16418	7.9
363.19583	5.9
373.17978	20.3
375.19382	5.5
377.21249	3.3
387.19510	5.5
389.21140	8.2
391.18893	10.6
401.17447	9.2
405.20642	25.8
407.22214	7.2
415.18832	3.2
419.18634	8.8
423.21625	8.8
433.20120	22.8
437.19641	6.3
451.21179	31.2
452.21768	2.8
469.22061	11.6
511.23251	5.8
555.24377	2.5
559.23157	2.7
573.17053	2.9
573.24841	22.3
601.24170	4.8
615.26282	4.9
633.26117	3.4
651.25702	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	651.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99684	2.3
53.03947	13.1
55.01876	5.7
55.05515	42.0
60.55895	2.3
67.05499	8.9
69.03425	10.9
69.07072	4.3
71.54765	2.4
71.55142	4.0
77.03910	2.7
79.05484	11.6
81.03423	5.4
81.07048	7.4
82.59956	2.4
83.01338	4.4
83.04986	65.7
90.13446	2.6
91.05479	23.4
93.07050	13.6
95.04976	18.3
95.08624	10.1
103.05480	8.2
105.03397	100.0
105.04507	6.0
105.07032	29.1
107.08601	13.1
109.06506	5.6
109.10147	4.0
115.05458	7.3
116.06207	2.4
117.07007	14.5
119.04996	3.5
119.08591	22.7
121.06470	7.0
121.10191	4.7
123.08035	3.6
126.39613	2.3
128.06227	11.0
129.07014	16.8
130.07784	3.4
131.04945	15.2
131.08543	17.5
132.05257	3.0
133.06511	14.0
133.10143	17.5
135.08040	14.1
141.06992	4.2
142.07802	9.8
143.04858	2.8
143.08566	21.5
145.06470	11.6
145.10152	15.4
147.08057	29.5
149.06000	3.7
149.09613	10.7
151.07518	4.0
153.07011	4.0
154.07805	3.1
155.08560	12.4
156.09332	12.2
157.06563	4.0
157.10123	28.8
159.08081	14.4
159.11707	9.2
161.05911	11.6
161.09654	16.7
163.07549	7.2
163.11215	5.6
165.07014	3.5
167.08598	6.1
168.09251	3.3
169.10139	16.0
170.10945	6.4
171.08066	11.0
171.11702	40.2
173.06039	3.2
173.09608	21.0
173.13260	3.4
175.07596	9.4
175.11215	5.9
177.09146	4.5
179.07043	3.2
179.08472	5.9
181.10229	5.3
182.10855	4.4
183.08057	4.6
183.11687	33.3
184.08784	4.4
185.09679	14.7
185.13283	26.2
187.11244	9.6
189.05461	4.3
192.11205	2.6
193.10143	6.3
194.10918	4.9
195.08072	3.2
195.11725	9.6
197.09593	11.3
197.13274	9.4
198.10402	5.5
198.60265	2.5
199.11168	25.7
200.11896	3.7
201.09082	7.0
201.12706	7.0
203.10591	4.1
205.10213	3.5
205.12193	2.9
206.10832	3.3
207.11661	9.4
209.09593	5.1
209.13266	4.7
211.11221	9.4
211.14815	3.2
213.09305	3.6
213.12743	43.9
213.14555	4.2
215.08720	3.9
215.10689	6.8
217.12227	3.8
219.11774	5.3
221.09602	2.8
221.13304	7.5
223.11130	5.8
223.14709	3.3
225.12845	7.1
227.10522	5.1
229.10175	5.7
229.12254	7.5
230.10886	6.1
231.10011	5.4
231.11885	4.6
231.13727	16.7
233.09666	5.3
233.13298	6.7
235.11229	6.2
235.14806	5.7
237.12790	3.9
239.10962	3.2
241.12318	5.7
243.11667	6.5
243.13834	3.9
244.12546	6.8
245.11427	4.5
245.13403	6.0
245.15457	9.2
247.11208	4.0
247.15045	4.0
249.12831	4.0
249.16327	4.4
255.11549	3.4
255.13942	3.0
256.12393	3.3
257.13379	5.7
258.14069	4.1
259.13364	9.9
259.15384	3.6
261.12729	5.7
267.11670	3.3
269.13257	6.4
271.14761	8.1
273.12421	4.0
273.15015	8.1
275.14133	3.5
277.15674	4.8
281.13153	3.5
284.11899	3.4
285.12799	5.0
285.16321	6.6
287.14346	7.9
287.17676	3.2
289.15915	4.7
291.16083	7.2
298.13397	4.8
301.15802	8.2
303.17419	8.3
311.13974	2.8
313.15924	7.3
315.17294	7.1
317.15329	5.9
317.18918	5.0
319.13232	3.3
319.16837	4.5
327.17532	7.1
329.15247	5.1
329.18967	3.4
331.16922	9.3
333.18417	3.8
341.15204	4.3
343.16946	2.8
345.18402	13.0
347.16483	4.0
349.17859	7.3
355.16946	4.3
357.18829	3.1
359.16217	12.7
361.17685	3.7
363.19550	10.7
373.17862	14.3
374.18710	3.0
375.19427	4.5
377.17194	6.8
377.21280	7.9
387.19449	12.4
391.19119	17.6
401.17230	7.7
405.20691	23.4
409.20142	4.5
415.19168	4.6
419.18436	13.8
421.20038	4.5
423.21405	13.2
433.20120	18.4
437.19550	8.4
441.22849	5.9
451.21310	25.0
465.22678	5.5
469.22256	12.6
551.25800	7.6
651.29590	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13896	3.2
51.02384	4.1
53.03948	11.5
53.29574	3.1
55.01870	7.4
55.05521	17.1
65.03960	3.6
67.05497	14.3
67.14641	3.3
69.07061	4.6
71.55556	4.7
74.46485	3.4
75.56494	3.9
79.05493	21.3
81.03427	5.8
81.07053	17.9
83.01367	4.0
83.04978	25.8
90.19319	3.5
91.05470	34.2
93.07059	21.5
95.04987	23.3
95.08607	18.8
97.06513	5.8
100.01752	3.9
103.05476	39.6
105.03398	81.8
105.04478	4.9
105.07033	45.5
107.04961	7.9
107.08588	13.8
109.06510	12.0
115.05452	10.1
117.07008	24.4
119.07799	5.8
119.08591	57.4
121.06530	8.4
121.10148	6.1
123.04430	6.3
128.06227	8.7
129.07011	14.7
130.07823	4.3
131.04021	6.4
131.04945	76.7
131.08575	28.8
133.06497	17.1
133.10135	18.9
135.08049	14.1
137.09625	4.5
141.06998	5.6
142.07779	10.8
143.08598	25.3
144.09325	4.7
145.06502	11.9
145.10136	24.7
147.08043	21.8
147.11739	5.3
149.05980	4.4
149.09631	17.8
151.07608	4.9
153.06946	4.2
154.07657	5.1
155.08531	14.1
156.09340	14.7
157.10133	61.7
158.07373	4.5
159.08052	24.1
159.11702	67.5
161.05980	17.8
161.09608	9.4
162.23483	3.8
163.07547	45.7
167.08554	5.3
168.09373	7.2
169.10127	30.5
170.10878	8.2
171.08034	9.9
171.11716	52.1
173.05940	4.3
173.09651	26.4
173.13223	16.9
175.07556	16.4
175.11206	4.8
177.09142	17.9
179.07037	6.8
179.08563	4.5
181.10136	10.9
183.08177	6.2
183.11711	100.0
184.12505	6.5
185.09636	16.6
185.13303	25.3
186.10446	5.4
187.07445	5.4
187.11201	25.1
189.05461	11.3
189.09174	11.8
191.07071	11.1
193.08565	4.0
193.10159	10.5
193.12207	4.4
194.10919	4.9
195.11671	10.2
197.09604	14.5
197.13266	13.5
199.07854	4.2
199.11215	11.6
201.09145	4.3
201.12791	19.8
205.10258	4.2
206.10960	7.9
207.11664	20.2
208.12433	7.2
209.13281	16.5
211.11246	21.0
213.09106	9.8
213.12772	9.2
215.10672	13.2
217.10219	6.2
217.12204	6.5
218.10953	3.8
219.11751	9.2
219.13794	3.6
220.12418	5.7
221.09906	4.4
221.13326	21.9
222.14134	6.6
223.11165	9.8
223.14789	10.2
225.12788	5.1
227.10686	8.5
229.12201	22.6
230.11079	4.2
231.11809	6.8
231.13806	9.9
232.12506	8.0
233.09625	4.8
233.13222	13.2
233.15390	13.0
234.13998	7.7
235.11197	5.9
235.14789	9.9
237.16379	4.8
239.10672	7.2
243.13881	13.8
244.12540	5.0
245.13478	7.7
245.15511	5.3
246.13988	10.0
247.14969	25.8
248.15524	7.5
249.12798	5.8
249.16513	12.4
251.14285	7.2
253.12245	5.9
258.14108	5.1
259.14713	10.8
260.11810	5.0
261.14563	9.1
261.16846	6.6
262.13333	4.2
263.14349	8.1
265.12369	3.4
265.15756	5.6
267.13788	6.2
269.13080	5.6
271.14917	6.2
273.12814	4.6
273.16406	6.9
274.13110	4.6
275.14584	8.9
276.15088	5.3
277.12225	4.5
277.15906	4.4
279.17453	4.5
285.16315	6.3
289.15656	7.1
290.16479	6.8
291.13898	5.5
293.15259	6.0
301.12219	4.6
301.16037	5.6
303.17447	7.6
305.15204	6.0
307.13345	4.4
307.16779	9.3
313.15793	5.7
317.18945	6.7
319.16812	8.8
321.18436	16.7
322.19272	9.8
327.17493	6.1
329.15335	6.5
331.16891	31.0
333.18518	6.9
339.19641	8.4
345.18527	22.8
349.17996	13.4
350.19003	4.6
355.16898	9.8
359.16373	11.1
361.18057	7.9
363.19583	12.4
367.19073	7.9
373.17926	33.0
377.17273	5.8
391.18954	22.6
401.17459	8.7
405.20651	32.7
407.18564	5.8
409.20056	5.6
415.19058	4.3
419.18484	7.0
421.19934	5.2
423.21524	15.8
425.19571	5.5
433.20172	15.3
437.19672	6.0
451.21274	21.2
457.22269	4.4
467.20718	4.3
469.21790	6.7
485.21439	5.6
516.80347	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	650.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.2
55.05503	4.9
57.03421	0.9
57.07080	1.8
59.04980	1.6
64.33407	1.3
67.05515	13.1
69.03436	4.5
69.07066	7.6
71.04984	2.7
79.05490	4.2
81.03401	1.3
81.06627	1.8
81.07059	14.2
83.04993	6.5
83.08616	4.9
85.02881	1.7
85.06548	1.9
91.05454	2.8
93.07058	8.5
95.08614	24.0
97.10183	1.2
99.08097	3.4
105.07027	4.9
106.50497	1.2
107.08099	1.0
107.08615	10.9
109.06508	5.2
109.10162	59.0
111.08121	1.6
113.09653	1.7
119.07813	1.6
119.08595	20.4
121.10160	8.0
123.08058	6.3
123.11716	5.8
125.09595	1.6
131.08624	1.6
133.10114	12.9
135.11707	54.3
137.09619	8.7
139.11160	2.0
141.92471	1.1
147.11691	1.2
149.13266	4.2
151.11197	5.9
151.14816	5.7
153.12784	1.3
165.16339	1.2
175.14816	24.5
178.92557	1.2
193.15895	34.6
211.16940	100.0
212.17281	1.3
284.34372	1.3
300.39481	1.3
309.29776	1.4
352.17322	1.1
406.20377	1.3
417.17050	1.6
431.18576	2.0
432.20218	1.5
438.73236	1.2
444.18915	1.9
445.19986	3.5
471.18631	1.4
473.18976	1.7
475.17697	1.8
497.24707	1.4
532.21118	1.9
560.25378	1.4
591.25983	2.9
619.25183	5.7
650.26666	4.4
651.28168	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.9
53.03953	13.0
53.77907	2.2
55.01865	3.0
55.05514	13.8
60.98563	2.2
67.05494	6.1
69.03419	8.5
77.03951	2.2
79.05500	10.9
79.15118	2.3
80.29185	2.2
81.03428	8.0
81.07059	4.3
83.04987	30.5
91.05479	21.9
93.07063	13.4
95.01333	11.3
95.04969	21.4
95.08606	5.3
103.05481	7.8
105.03397	100.0
105.04492	5.6
105.07046	23.9
107.04941	4.0
107.08603	8.1
109.06493	5.9
115.05468	7.7
117.07030	9.7
119.04949	4.3
119.08582	21.6
121.06516	8.5
121.10134	6.8
123.08138	3.2
128.06216	6.9
129.06993	10.2
130.07852	3.5
131.04941	9.2
131.08556	12.9
133.06488	14.0
133.10156	14.4
134.07280	3.0
135.04385	4.2
135.08104	5.8
141.06978	5.3
142.07806	7.3
143.08577	15.6
144.05783	2.6
145.06517	11.9
145.10165	14.0
147.08070	13.6
147.11690	5.4
149.06012	5.3
149.09622	6.8
155.08568	10.3
156.09361	15.0
157.06531	3.2
157.10144	25.3
159.04417	3.6
159.08034	14.7
159.11699	8.2
160.05370	2.6
161.06032	22.7
161.09627	14.7
162.06767	10.2
165.07031	5.4
165.09158	5.3
167.08572	7.1
168.09389	3.2
169.06316	3.2
169.10146	17.5
170.10873	15.5
171.08118	15.2
171.11673	39.6
172.08893	2.4
173.06000	5.7
173.09653	12.8
173.13260	6.0
175.07524	4.1
175.11162	5.2
177.05469	8.0
177.09093	2.7
178.06313	3.3
179.07115	3.5
179.08556	4.1
181.10081	5.6
182.10970	3.3
183.08113	8.6
183.11690	33.0
184.08786	2.4
184.12410	2.5
185.09587	8.7
185.13245	36.9
187.07561	6.1
187.11154	8.6
189.05482	4.8
189.09184	3.3
190.06259	3.5
191.08592	3.3
193.10156	6.1
195.08092	3.6
195.11713	10.5
196.08783	3.0
197.09616	7.0
197.13307	8.0
198.10402	2.9
199.07562	6.5
199.11220	13.8
200.08284	4.3
200.11955	2.7
201.09155	3.3
201.12796	7.5
206.10954	4.1
207.11745	6.0
209.09616	7.5
209.13263	3.0
211.11195	7.9
213.09183	10.2
213.12740	40.5
215.10643	5.8
219.11772	3.4
221.09692	3.1
223.11165	6.9
223.14816	3.0
224.11972	3.4
225.09081	3.6
225.12927	4.1
227.10680	4.5
228.07819	5.0
229.12215	5.3
231.11905	3.1
231.13802	6.0
233.09534	3.6
235.11137	3.7
235.14807	4.0
237.12720	6.5
241.12221	6.0
243.11682	4.3
243.13783	7.1
245.09592	4.2
245.13333	3.5
245.15379	13.3
247.11143	5.4
249.09351	3.2
249.12654	5.7
251.10715	3.1
255.13881	4.3
256.12378	4.8
257.09406	3.0
259.11121	4.5
260.11847	3.0
261.12708	6.0
263.10712	4.3
263.14258	3.0
265.12469	3.2
269.13165	3.5
270.10400	2.7
271.11084	6.3
272.12012	6.3
273.14932	11.0
275.14334	4.6
277.11996	3.5
283.11041	3.0
284.11917	2.9
285.16309	2.6
286.13547	5.3
287.10773	2.6
287.14459	5.6
291.15933	7.3
297.12531	4.6
298.13492	3.8
299.14423	5.8
300.14890	3.7
301.12393	4.8
301.15875	8.1
303.13889	3.7
303.17297	3.3
311.14154	3.0
313.12338	3.0
313.15857	10.6
315.13751	6.2
315.17453	4.6
316.14322	3.4
317.15408	6.5
317.18854	2.6
325.16071	3.1
327.17383	4.4
329.15472	4.1
331.16922	8.4
341.15543	5.7
343.16895	8.4
345.18497	6.0
347.16647	4.6
355.16867	6.1
357.18607	4.3
359.16476	6.2
365.16888	2.6
373.18069	12.6
374.18832	5.0
375.19684	5.0
377.17599	9.2
385.18048	3.2
391.19183	4.4
401.17468	5.1
402.18225	4.9
403.19061	4.0
405.20578	4.7
407.18277	4.1
415.19281	4.7
417.20682	4.7
419.18472	7.4
433.20313	6.1
435.21646	6.1
451.21155	10.7
462.20187	12.0
469.22681	3.1
511.23532	4.5
617.27423	8.6
633.26770	12.5
651.30420	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
54.42151	0.6
55.01876	1.5
55.05519	21.6
57.03442	6.7
57.07077	2.6
65.03949	3.1
67.05510	80.7
67.50766	0.6
69.07074	19.0
71.04999	5.7
71.08656	0.8
79.05501	33.4
81.07063	100.0
83.04988	2.5
83.08627	11.9
85.06541	5.3
91.04899	0.8
91.05489	22.1
93.07050	35.0
95.05000	3.4
95.08614	78.5
97.06528	5.1
97.10182	6.0
99.08102	2.8
105.07039	14.4
107.08604	21.5
109.06462	1.2
109.10165	30.3
110.25362	0.6
111.08102	2.9
111.11731	1.4
115.07597	0.6
117.07003	3.7
119.08590	11.7
121.10154	27.8
123.08087	2.5
123.11722	11.5
125.09636	1.5
127.07573	0.8
127.11132	0.7
129.07007	1.2
131.08566	10.2
133.10138	10.8
135.08081	0.8
135.11705	14.3
137.09641	1.8
137.13254	4.0
139.11227	0.9
143.08633	0.6
145.10135	7.8
147.11714	9.5
149.09703	1.5
149.13290	7.3
151.11197	1.6
151.14813	1.6
157.10214	0.8
159.11732	4.3
161.13257	8.5
163.11221	0.9
163.14806	3.4
165.12804	3.3
173.13243	3.4
175.14864	2.9
177.12872	0.8
177.16431	2.0
179.14377	3.2
181.12276	0.7
187.14821	2.7
191.14343	1.4
195.13821	0.9
201.16452	1.2
205.15845	0.8
209.15468	0.8
223.16914	1.7
233.22569	0.8
243.21127	5.4
259.20605	1.0
261.19400	1.1
261.22156	15.9
264.41403	0.7
277.21536	1.0
279.23181	5.9
298.72369	0.7
317.24765	1.1
328.78705	0.7
335.25809	26.0
353.26883	92.1
354.27386	1.1
390.60352	0.6
521.43262	1.6
539.44421	2.7
557.45526	0.7
606.28296	1.3
613.48260	4.1
631.49310	24.5
649.29797	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	649.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.5
55.01865	2.6
55.05264	2.9
55.05511	39.6
57.03442	11.5
57.07077	8.7
65.03938	6.2
67.05507	92.6
69.07071	56.5
69.86989	1.6
71.05000	11.4
71.08633	4.0
71.56525	1.8
71.56921	2.3
79.05495	69.6
81.03416	2.5
81.07060	100.0
83.04973	3.6
83.08620	35.1
85.02866	1.8
85.06544	4.3
91.05485	52.5
93.07050	80.1
95.04966	6.8
95.08614	75.7
95.09235	2.9
97.06524	9.7
97.10168	24.1
99.08097	3.3
105.04484	3.6
105.07036	38.2
107.08603	42.1
109.06503	2.5
109.09463	2.6
109.10162	33.6
111.08076	6.2
111.11739	6.5
117.07005	11.3
119.08585	31.9
121.09321	3.0
121.10155	47.6
121.11031	2.9
123.08035	2.8
123.11706	9.2
125.09557	3.8
128.06296	2.3
129.06996	4.8
131.08572	21.1
133.10130	29.5
135.11697	29.4
137.09615	4.4
137.13251	3.7
139.11177	3.7
143.08563	4.6
145.10127	14.5
147.11674	17.9
148.90407	1.6
149.13275	15.5
151.11273	3.3
153.12727	1.9
157.10107	5.4
159.11649	11.6
161.13303	13.4
163.11139	2.1
163.14806	6.7
165.12842	2.3
167.14265	1.9
171.11694	6.7
173.13258	7.2
175.14799	8.3
177.12749	3.2
179.14314	3.4
185.13257	6.0
189.16336	3.4
193.15791	2.8
197.13206	1.8
199.14790	3.8
239.18021	2.4
241.19508	8.0
241.64807	1.6
245.22694	4.8
250.47116	1.6
257.18967	2.0
259.20587	23.6
259.58038	1.9
263.23679	7.4
273.14728	1.9
277.21695	12.7
281.24747	2.5
315.23013	2.0
333.24222	20.5
335.25647	3.6
337.27292	23.3
351.25305	70.0
351.29614	3.3
352.25702	2.1
354.80261	1.8
355.28433	87.0
467.84070	2.0
539.44739	5.4
540.22559	2.0
555.45099	1.8
613.48120	11.0
631.49347	24.4
649.30048	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	649.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93907	0.8
53.03933	2.0
57.03420	0.9
59.22863	0.8
67.05493	1.4
69.03417	0.9
71.56202	0.9
79.05473	2.2
81.03400	1.3
81.07051	1.5
83.04980	0.9
85.02904	2.2
91.05482	2.6
93.07047	3.0
95.04989	5.4
95.08630	1.1
97.10146	0.8
103.05427	1.2
105.02717	1.5
105.03400	22.5
105.07025	2.9
105.77430	0.8
107.08599	2.9
109.06512	1.0
115.57757	0.9
119.08587	4.5
121.10150	1.7
123.04280	1.0
129.07007	1.0
131.04947	2.2
131.08591	1.7
133.10103	1.5
135.08070	1.1
140.36627	0.8
143.08589	1.0
145.06494	1.1
145.10136	2.6
147.08038	1.5
155.08574	1.5
157.10097	2.4
158.02879	0.7
159.11702	1.5
159.14948	1.0
169.10077	2.3
176.24110	0.8
179.08531	1.2
183.11720	2.6
185.13213	1.6
193.10126	1.9
194.10925	1.3
195.11646	1.5
197.13208	1.5
206.10809	1.5
207.11659	2.3
208.12717	1.2
209.13312	2.4
219.11664	3.1
220.12418	1.3
221.13252	3.6
223.14830	1.1
230.11057	0.8
231.11644	1.9
233.13239	3.2
235.14786	1.8
237.16371	2.5
239.14409	1.0
245.13303	2.8
246.13968	1.4
247.14789	2.1
249.16484	1.0
251.18149	1.0
259.14990	1.6
260.15598	0.8
261.16403	1.5
272.15527	1.4
275.17926	3.5
277.19467	1.0
285.16260	1.2
299.17969	0.8
313.16046	0.9
315.21002	2.3
317.19122	1.1
333.22162	1.4
343.20380	4.0
345.18417	2.4
361.21597	14.3
363.19669	1.3
371.19974	2.6
379.22729	1.9
389.21127	6.7
465.24326	1.4
479.26520	1.0
489.29791	100.0
490.29767	1.2
511.24652	1.0
530.32495	6.2
549.31787	1.7
552.02838	0.8
589.35016	77.6
590.35071	2.0
649.37134	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	649.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	3.8
55.05519	53.9
57.03448	4.6
65.36382	3.4
66.67901	3.5
67.05492	13.6
67.29720	3.5
67.50048	3.2
69.03426	9.6
69.07056	11.2
70.79723	3.9
70.80070	8.0
79.05493	20.5
81.03421	7.3
81.07063	24.5
83.04988	100.0
85.02886	4.7
91.05485	27.1
93.07055	26.4
95.04958	8.9
95.08595	26.9
97.02869	5.1
97.06516	9.9
103.03931	6.7
105.03374	5.7
105.07049	40.1
107.08599	22.0
109.06508	16.2
111.04437	5.9
117.03367	5.0
117.07005	9.4
119.04934	9.8
119.08578	40.5
121.06496	10.7
121.10162	8.0
123.04456	6.2
123.08090	5.8
125.05980	5.2
128.06252	7.5
129.06985	13.0
131.04939	9.6
131.08559	21.5
133.06487	17.0
133.10132	24.6
135.04390	13.0
135.08066	14.6
136.06183	8.2
137.06009	10.9
138.12395	3.6
141.06961	4.7
142.07794	10.1
143.08574	24.0
145.02855	12.9
145.06467	10.6
145.10106	25.0
147.08093	24.5
147.11687	5.9
149.06010	8.6
149.09598	12.6
153.07005	5.5
155.08540	13.5
156.09329	12.4
157.06429	4.9
157.10150	43.0
158.10945	3.8
159.08049	12.9
159.11694	10.2
161.05981	8.8
161.09612	21.0
163.07523	9.8
165.06955	6.5
165.09094	7.4
165.96803	4.0
166.07780	4.1
167.08556	9.6
168.09409	6.0
169.10139	21.4
169.49425	4.1
170.10849	7.4
171.08104	8.8
171.11696	41.4
173.06075	3.6
173.09642	21.1
173.13223	7.5
175.07545	7.0
175.11162	6.0
177.05521	33.9
178.07701	7.5
179.08617	7.2
180.09344	9.0
181.10114	16.9
182.07349	5.0
182.10892	6.9
183.08078	6.3
183.11702	27.7
184.12279	5.2
185.09599	14.9
185.13246	21.6
187.11168	11.2
191.08635	6.0
193.10123	15.9
194.10843	9.3
195.08167	5.3
195.11717	25.1
196.08842	6.2
196.12447	5.4
196.88545	4.7
197.09587	15.2
197.13261	18.4
199.07523	5.1
199.11165	38.2
200.11810	4.6
201.09163	4.3
201.12746	11.6
202.07649	5.7
203.08594	8.8
203.10535	4.8
205.10190	9.1
206.10846	9.7
207.11745	23.2
208.12468	6.6
209.09674	9.2
209.13225	16.6
210.10312	4.7
211.11191	10.2
213.09268	5.5
213.12753	32.5
216.09285	4.4
217.08252	3.8
217.10223	8.7
217.12172	4.9
218.10927	8.8
219.11725	17.4
220.12465	10.0
221.09720	7.7
221.13260	20.8
222.10399	4.6
223.11208	16.9
223.14798	9.7
224.11929	6.1
225.12851	9.3
227.10725	8.4
229.10095	7.2
229.12192	6.4
230.10713	5.8
231.11629	14.1
231.13728	4.7
232.12321	9.0
233.09729	5.1
233.13315	18.9
234.13797	5.1
235.11227	11.4
235.14819	18.6
237.12785	10.6
237.16420	7.2
239.10759	5.3
239.14351	6.5
241.12320	6.6
242.10822	4.8
243.11638	11.9
243.13855	6.6
244.12451	8.1
245.09598	4.9
245.13399	21.3
246.14096	9.5
247.11186	8.4
247.14856	25.0
248.12175	6.9
248.15564	5.2
249.12756	10.5
249.16350	10.4
250.13441	5.2
251.14326	10.0
256.12457	4.2
257.13181	11.6
258.13986	6.9
259.11032	5.9
259.14755	12.6
260.12158	5.4
260.15671	10.5
261.12744	13.2
261.16483	18.3
262.13416	6.6
262.17072	4.5
262.96777	4.3
263.14294	15.3
263.18036	8.9
265.15906	10.0
267.14001	6.2
271.14795	12.6
272.15613	9.2
273.12552	10.8
273.16550	8.5
274.17148	4.9
275.14270	11.4
275.17883	27.8
276.15158	5.2
277.12280	4.6
277.15842	9.9
277.19421	7.7
279.13776	4.9
279.17279	7.9
281.15518	4.7
285.12717	6.9
285.16321	6.4
286.17102	6.2
287.14426	8.1
287.17920	17.1
288.15121	7.5
289.12384	5.6
289.15814	16.6
291.13684	7.6
291.17264	14.9
293.19003	11.6
297.12527	5.0
299.14282	6.3
300.15152	6.2
301.15826	8.2
302.16495	4.4
303.14124	6.1
303.17435	21.2
304.14523	5.9
304.18033	8.7
305.15454	5.1
305.18915	18.5
307.16742	5.0
313.15723	5.0
315.17453	16.4
316.00363	4.4
317.15543	6.8
317.19223	5.5
319.16870	9.2
321.18430	20.5
323.19785	7.8
329.18948	6.5
331.16913	13.1
333.14822	6.8
333.18439	21.9
335.19934	7.2
339.19650	5.3
343.16757	14.6
345.18463	8.6
347.20010	7.6
349.17975	11.5
351.19403	8.8
357.18347	14.0
361.17972	24.7
363.19635	12.5
365.20453	6.9
367.19025	5.7
373.17999	6.3
375.19656	20.9
377.17249	6.0
379.18796	22.0
381.20441	11.8
383.21448	10.2
385.17880	12.4
391.18997	8.5
393.20560	23.3
397.20215	9.4
399.21805	8.2
403.18900	27.3
409.20056	7.4
411.21594	11.0
417.20959	4.6
421.20145	60.4
435.21777	20.0
439.21252	53.2
453.22864	28.8
457.22198	26.4
469.20520	5.3
471.23840	18.8
481.22083	9.2
489.24899	8.5
495.23706	8.1
499.23022	24.7
513.24799	6.0
531.25751	12.2
532.23608	4.7
539.26385	13.1
545.26849	4.3
563.26855	5.4
581.27026	6.5
599.27966	9.6
613.29291	4.9
617.29230	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	649.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47082	3.4
53.03939	8.5
55.05518	57.5
66.40250	3.8
67.05486	8.6
69.07057	11.8
70.79739	8.3
70.80077	5.2
74.72995	4.1
79.05484	13.0
81.07057	26.4
83.04991	100.0
85.60729	4.7
91.05482	23.1
93.07051	23.6
95.04973	9.1
95.08600	18.6
97.06526	8.4
103.05496	4.3
105.07026	20.8
107.08575	15.5
109.06504	11.0
111.04451	8.4
115.05472	5.5
117.07050	10.5
119.04949	5.9
119.08607	29.9
121.06491	9.5
121.10130	10.2
123.04425	6.7
123.08059	8.1
125.06029	5.4
128.06224	7.6
129.07037	5.2
131.04912	5.3
131.08548	14.1
133.06467	10.6
133.10117	17.6
135.04396	15.1
135.08058	8.4
137.05927	6.2
142.07790	10.9
143.08536	19.0
145.06503	7.0
145.10132	15.5
147.08046	14.0
147.11629	7.0
149.09627	8.7
155.08539	10.9
156.09309	10.3
157.10147	26.3
159.08080	9.0
159.11703	10.1
161.05972	11.4
161.09651	10.5
163.07558	6.3
165.06989	6.1
167.08568	8.4
169.10153	17.9
170.10899	8.7
171.08086	11.0
171.11797	22.1
173.09660	15.4
173.13246	5.1
175.07681	6.2
179.08537	11.2
181.10211	12.9
183.08134	5.5
183.11688	18.7
184.08826	6.6
185.09595	18.9
185.13260	7.1
187.07559	4.6
187.11124	9.3
193.10124	11.4
194.10873	5.9
195.11697	21.3
197.09596	14.0
197.13228	13.0
199.11208	31.4
201.12613	4.9
203.08696	4.9
206.10869	7.6
207.11693	23.4
208.12584	6.5
209.09531	7.8
209.13324	11.8
211.11232	9.9
213.12866	20.5
215.10530	6.4
215.14288	8.8
219.11678	12.8
220.12453	6.6
221.09749	5.4
221.13245	18.3
223.11157	13.3
223.14835	11.8
224.11905	6.1
225.12772	10.0
227.10678	6.2
231.11653	12.0
232.12398	8.1
233.09692	5.2
233.13228	16.1
234.14117	4.2
235.11201	9.9
235.14827	14.4
237.12689	11.3
237.16548	6.0
242.10832	4.1
243.11632	11.2
244.12465	8.4
245.13271	18.9
246.13864	8.6
247.11188	11.3
247.14809	15.8
248.11945	7.4
248.15549	6.3
249.12740	10.2
251.14330	15.7
257.13217	11.5
258.13953	5.8
259.14819	13.2
260.12015	5.0
260.15472	7.4
261.12714	8.4
261.16403	19.5
263.14258	12.7
263.17899	6.8
265.15744	4.6
270.13910	5.2
271.14789	8.6
272.15576	8.8
273.12677	4.1
273.16318	11.4
275.14520	8.3
275.17966	19.3
277.16000	6.3
277.19650	8.0
279.13898	5.5
279.17365	6.3
285.12872	4.8
285.16418	9.0
286.13672	4.7
287.14206	6.1
287.17896	9.6
289.15756	9.6
291.17380	7.7
293.18973	7.3
299.14258	7.6
300.14825	4.5
301.15656	8.5
303.17331	20.5
304.18167	7.4
305.18939	17.5
307.16885	4.8
314.16769	4.2
315.17426	11.3
317.15173	7.6
317.18893	9.4
319.17050	7.8
321.18417	16.1
323.19995	8.2
327.17477	6.1
329.19147	6.1
331.16971	6.6
333.18390	8.9
343.16699	8.4
345.18570	10.0
347.20038	6.0
349.17981	14.1
351.19498	7.6
357.18546	9.5
361.17819	13.3
363.19678	13.3
375.19586	16.9
377.17352	5.8
379.18991	12.5
381.20706	8.6
385.18021	11.1
391.19061	12.3
393.20450	16.5
397.19931	8.1
403.19147	25.1
409.20105	8.8
417.20648	6.3
421.20096	69.3
435.21600	7.0
439.21146	62.5
453.22913	19.1
457.22287	27.8
471.23660	18.1
481.22144	15.3
483.27240	6.3
489.24771	13.5
499.23108	33.6
531.26416	5.7
539.26111	8.7
581.27075	6.3
586.73114	5.1
599.28632	8.5
617.29230	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	649.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00991	3.4
53.03954	7.9
55.01865	9.4
55.05513	54.0
66.13161	4.1
67.05500	13.7
69.03423	10.8
69.07073	7.4
70.06593	6.4
71.04987	6.4
71.56333	6.1
79.05495	23.2
81.03427	9.4
81.07046	24.6
83.04990	100.0
85.02905	14.1
85.06568	5.0
91.05475	29.6
93.07053	28.1
94.67917	3.8
95.04961	18.8
95.08629	19.2
97.02909	6.5
97.06524	11.0
98.97576	4.5
103.05453	11.2
105.07037	29.2
107.04965	10.4
107.08611	23.1
109.06512	14.3
111.04428	19.4
115.05502	7.0
117.07024	15.3
119.04975	8.1
119.08586	39.0
121.06552	17.6
121.10145	11.1
123.04437	8.6
123.08082	10.4
123.11679	3.8
126.05525	11.2
128.06232	5.7
129.07005	8.6
131.04910	13.8
131.08603	20.5
132.05232	5.6
133.06503	18.4
133.10104	17.1
135.08034	13.2
136.06166	10.3
137.06009	13.6
141.07019	6.1
142.07751	8.5
143.08604	19.4
145.06517	7.5
145.10136	21.9
147.08061	29.4
147.11670	5.8
149.09642	10.8
151.03876	5.0
151.07529	5.1
155.08559	11.0
156.09355	11.5
157.10115	31.4
159.08078	13.8
159.11725	12.7
161.05971	5.2
161.09612	18.7
163.07547	7.0
165.05565	8.7
165.06993	6.8
167.07198	3.9
167.08546	9.1
169.05034	5.1
169.10170	20.7
170.10840	5.9
171.08055	7.8
171.11684	29.3
173.09654	22.0
173.13300	8.1
175.07611	4.8
175.11238	8.4
177.09103	3.5
179.06989	3.5
179.08519	9.4
181.10165	10.2
182.10864	4.4
183.08037	4.7
183.11722	24.7
184.08859	5.0
185.09648	16.9
185.13278	16.5
187.11142	12.2
192.09381	5.0
193.10133	15.7
194.10918	8.2
195.11708	22.3
197.09583	10.7
197.13286	16.0
199.07481	5.6
199.11200	34.7
200.11975	4.5
201.12730	6.6
205.10191	6.3
206.10870	7.8
207.11745	16.9
208.12550	3.7
209.09668	8.3
209.13321	11.7
210.10413	7.6
211.11200	13.6
211.14749	4.2
213.09158	4.8
213.12733	28.8
215.14378	6.1
216.09277	4.7
217.10219	9.0
218.11012	4.4
219.08124	4.6
219.11722	14.0
220.12373	8.4
221.09615	3.7
221.13271	16.9
222.10269	4.7
222.14192	4.6
223.11240	19.0
223.14804	9.3
225.09303	3.5
225.12727	12.1
227.10684	5.5
227.14084	4.5
229.10278	6.4
229.12280	5.4
230.10936	4.7
231.11670	13.5
231.13727	5.1
232.12459	9.7
233.13263	14.2
234.14035	6.7
235.11197	9.2
235.14772	18.9
237.12776	10.1
237.16379	6.4
241.12231	4.3
241.15767	3.6
243.11626	6.9
243.13828	8.7
244.12466	5.0
245.13280	14.0
246.13974	10.5
247.11183	11.1
247.14868	15.1
248.12105	4.8
248.15550	5.2
249.12759	12.6
249.16406	6.1
250.13565	4.7
251.14349	9.1
253.12352	5.1
256.12415	4.7
256.77112	3.8
257.13324	8.4
258.14114	5.5
259.11142	9.5
259.14951	8.3
260.15894	5.8
261.12729	11.0
261.16391	10.4
262.13562	4.8
263.14474	19.6
265.12613	5.0
265.15823	16.8
267.11597	3.7
269.15549	4.8
271.11377	4.0
271.14905	9.8
272.15646	5.3
273.12790	7.7
273.16400	9.1
274.13568	8.9
274.17166	5.6
275.14343	7.7
275.17819	8.5
277.15805	10.4
277.19006	3.8
281.15732	4.7
281.18781	4.6
285.12497	4.0
287.14264	12.4
287.17993	14.5
288.15097	9.0
289.15906	8.4
290.16650	5.4
291.14011	5.9
291.17401	10.2
293.18994	4.9
299.14270	6.3
300.14978	6.0
301.15869	7.9
302.16461	7.0
303.13916	5.2
303.17426	14.9
304.18015	6.7
305.15280	8.0
305.19049	10.0
306.16431	4.1
315.14008	4.1
315.17426	15.4
317.15317	7.7
318.16040	4.8
319.13434	5.0
319.16943	9.3
321.18542	17.7
323.20010	7.9
331.16873	13.8
333.18512	12.6
335.20117	5.4
339.19644	7.9
343.16663	6.8
345.18405	6.8
347.20117	5.0
349.17978	9.3
351.19519	10.3
357.18414	10.8
361.18088	30.1
363.19730	8.5
371.74857	4.0
373.18112	6.7
375.19431	19.0
377.17477	5.6
379.19055	29.5
381.20703	9.4
385.18008	10.4
391.19043	5.9
393.20633	10.9
397.20297	5.2
399.21622	8.5
403.19138	23.6
409.20282	5.2
411.21786	8.3
421.19989	52.0
435.21875	8.5
439.21121	50.4
453.22583	24.2
457.22223	35.0
471.23935	29.8
481.22025	13.6
489.24911	13.6
499.23331	12.6
517.24316	7.2
521.25751	6.3
531.25598	14.0
539.26355	30.2
557.27301	10.0
581.26672	4.7
581.34760	10.0
595.29248	4.7
599.28613	25.2
617.29767	17.5
631.31061	18.3
649.31848	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	649.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
53.97136	3.0
55.01873	5.1
55.05516	51.8
56.96563	2.8
57.07065	2.5
57.69617	3.1
65.03928	5.0
67.05492	13.0
68.84349	2.5
69.03418	11.6
69.07059	5.3
69.57263	17.5
70.06586	5.5
71.01335	3.4
71.04974	5.8
77.30244	2.5
79.05498	15.2
81.03407	9.4
81.07063	22.8
83.04987	100.0
85.02885	11.2
86.06047	6.3
91.05486	29.7
93.07045	23.1
95.04986	18.0
95.08604	15.8
97.02905	5.0
97.06537	10.1
98.06046	9.7
100.07632	5.4
103.05455	11.3
104.05805	3.5
105.07035	33.0
107.04955	7.7
107.08607	23.1
109.06521	11.2
109.10146	6.6
111.04443	18.6
113.05974	2.8
115.05425	4.6
116.06245	3.4
117.07001	11.9
119.04920	5.7
119.08586	45.4
121.06504	13.2
121.10146	10.1
123.04408	7.7
123.08041	8.5
125.06078	3.3
126.05489	13.1
128.06242	3.6
129.07027	6.3
131.04916	17.5
131.08585	20.7
133.06514	16.1
133.10123	22.9
135.04382	7.3
135.08046	11.4
136.06210	13.4
137.04570	3.4
137.05966	13.2
137.09618	4.3
139.04001	2.9
141.06976	8.6
142.07745	10.8
143.08575	17.7
144.06543	3.5
145.06464	6.9
145.10100	19.1
147.04449	3.8
147.08081	21.5
147.11691	7.1
149.05959	5.6
149.09645	14.9
151.07526	8.1
153.05487	4.5
153.06937	5.0
155.08545	12.4
156.09343	9.4
157.06506	5.9
157.10138	30.0
159.08054	13.2
159.11682	13.6
161.05962	11.1
161.09671	18.4
163.11200	5.1
165.05466	5.7
165.07019	8.3
165.09122	5.5
167.08521	5.1
168.09334	4.9
169.05022	3.5
169.10132	17.7
170.10878	8.3
171.08054	10.8
171.11691	28.7
172.08862	4.6
172.12201	3.8
173.09621	17.4
173.13264	6.4
175.07581	9.3
175.11150	7.0
178.07933	3.4
179.08514	6.8
179.10600	3.2
180.09337	4.4
181.10149	10.1
182.10872	4.4
183.08022	5.2
183.11707	25.5
184.08810	5.1
185.09578	11.6
185.13332	15.2
186.10503	3.5
187.07565	4.8
187.11191	11.5
187.14891	4.9
189.12669	4.1
191.08582	3.5
192.09367	5.0
193.10170	15.7
194.10986	4.9
195.08051	5.0
195.11696	12.9
196.08786	4.4
196.12245	3.2
197.09596	14.7
197.13220	19.8
198.10219	3.7
199.11195	31.6
201.09085	5.2
201.12750	5.9
205.10214	5.1
206.10913	5.1
207.11687	21.5
208.08786	4.8
208.12431	5.6
209.09561	9.5
209.13181	13.7
211.11176	11.2
211.14752	7.0
213.09129	4.2
213.12753	23.7
215.10628	4.8
215.14267	6.8
217.10173	6.1
217.12207	4.3
218.10866	6.2
219.11691	10.9
219.13707	4.7
220.12457	7.3
221.09663	3.9
221.13284	18.5
222.13892	4.1
223.11311	15.1
223.14819	8.4
225.12833	5.3
227.10706	6.0
227.14346	4.1
229.10234	6.0
229.12125	5.4
230.10864	7.3
231.11656	11.1
231.13748	5.1
232.12442	8.2
233.09680	6.0
233.13242	11.7
234.10335	4.6
234.13974	6.0
235.11116	9.8
235.14877	17.0
236.11931	6.2
236.15471	4.3
237.12740	10.9
237.16344	8.7
239.10764	3.8
239.14238	5.6
241.12253	5.4
243.11630	7.5
243.13834	5.9
244.12459	4.1
245.13232	13.3
246.10269	4.2
246.14003	6.7
247.11115	10.6
247.14865	17.5
248.11890	5.6
249.12807	8.7
249.16536	4.5
251.14374	14.5
257.13190	12.0
258.13983	6.2
259.11041	5.7
259.14722	12.5
260.15683	6.2
261.12817	15.9
261.16586	13.4
262.13477	6.0
262.17163	5.0
263.14401	15.7
263.17908	8.9
265.12164	4.1
265.15836	17.0
269.15628	3.4
270.14090	5.5
271.11240	3.4
271.14664	8.7
272.12036	3.1
272.15543	6.1
273.12735	6.9
273.16296	8.6
274.13467	3.7
275.14209	10.2
275.17859	13.0
277.16040	6.4
277.19333	4.9
279.13873	3.3
279.17380	7.7
283.17050	4.6
285.12744	6.1
285.16513	3.3
286.13440	3.2
287.14334	9.4
287.17996	9.4
288.15009	5.0
289.12521	2.8
289.15851	10.1
290.16489	3.5
291.13977	3.1
291.17224	8.2
293.18912	4.3
299.14233	5.5
300.15115	5.5
301.15872	8.9
302.16400	4.0
303.14053	4.8
303.17389	19.6
304.18152	6.4
305.15417	7.6
305.19052	13.8
307.16855	5.7
313.15894	3.8
315.13943	5.1
315.17401	11.5
317.15308	8.5
319.16873	11.5
321.18530	17.7
322.19373	5.3
323.20078	9.6
329.18777	4.6
331.16879	12.1
333.18436	14.8
335.16351	5.2
337.17932	6.8
339.19601	6.3
341.20737	5.9
343.17017	9.8
345.18567	6.7
347.16129	5.7
347.20087	4.9
349.17947	10.0
351.19452	8.5
357.18384	8.5
359.16434	3.4
361.18069	29.7
362.18524	4.4
363.15698	5.4
363.19684	10.6
365.17252	4.3
367.19089	4.1
375.19479	15.1
377.17365	3.8
379.19052	27.3
380.19714	5.2
381.20453	8.3
383.22147	5.0
385.17764	10.9
389.17490	5.1
391.19147	5.7
393.20953	13.9
395.18512	3.7
397.19830	14.1
399.21744	10.2
403.19006	26.3
407.18640	4.5
411.21606	5.4
417.22458	6.6
421.20074	44.7
422.20517	4.0
427.20743	3.0
435.21490	9.8
439.21085	50.6
453.22906	25.4
457.22229	31.9
463.20752	4.2
465.23846	3.3
471.23871	22.9
481.22137	12.4
483.25851	4.0
489.24915	16.6
489.91483	3.2
499.21970	14.1
501.27396	4.0
513.25049	4.5
517.24762	3.4
521.25061	5.1
531.25903	16.5
539.26349	22.3
541.27789	4.2
545.28650	3.8
553.81305	3.5
555.33594	4.2
557.27344	12.0
581.35034	13.2
599.28497	19.7
613.21448	3.8
613.30444	4.8
617.29541	20.2
631.31262	23.5
649.32007	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	649.302
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
55.05509	1.2
57.86666	1.0
66.55511	0.9
67.05508	3.5
69.07079	1.4
70.07383	1.0
71.55842	1.2
78.53665	0.8
79.05483	2.5
81.07064	3.2
91.05496	2.6
93.07051	2.7
95.08623	2.1
105.07055	1.7
107.08577	2.1
119.08570	1.5
121.10174	3.1
133.10175	1.2
193.70891	0.9
275.62244	0.8
416.20166	1.0
417.20966	1.7
431.18057	4.8
432.19141	1.1
433.24158	2.4
445.20160	7.0
446.21027	1.7
447.22000	1.7
458.20901	1.3
459.22141	5.7
460.22653	3.6
461.23376	3.1
473.18896	4.2
475.25583	1.5
477.22894	1.1
487.21133	2.2
489.22940	1.7
502.23660	3.0
503.24991	6.6
505.22189	1.0
515.24475	1.5
517.22150	1.1
519.24200	2.3
533.22046	1.3
547.27124	12.0
559.23224	1.0
561.25299	3.7
589.28107	21.0
607.29095	2.3
649.30206	100.0
650.30487	2.8
655.31818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	3.0
53.03954	6.8
55.01878	10.1
55.05509	6.0
65.03928	2.0
66.87019	1.3
67.05500	5.5
69.03422	4.3
69.07061	4.4
69.51176	3.2
69.51575	8.3
72.08676	1.4
75.73534	1.4
76.70577	1.5
79.05498	14.9
81.03435	11.8
81.07075	8.0
83.04978	6.3
91.05484	26.1
93.07056	14.9
95.01360	2.2
95.04970	19.1
95.08604	4.7
97.06560	1.9
98.20759	3.0
103.05480	6.1
105.03407	74.0
105.04523	4.7
105.07034	18.3
106.03754	1.8
107.04978	9.6
107.08615	14.0
109.06497	7.9
109.10132	1.8
115.05456	8.0
117.07026	18.4
119.08593	26.8
121.06549	10.8
121.10149	4.5
123.08070	3.0
128.06238	6.0
129.07018	13.1
130.07819	2.1
131.04973	8.3
131.08572	15.8
133.06487	4.2
133.10139	13.8
135.04376	1.5
135.08093	16.6
141.06982	4.7
142.07793	6.7
143.08582	15.8
144.09288	1.5
145.06490	11.1
145.10120	14.4
147.08057	65.7
147.11673	4.6
149.09618	3.9
151.07532	1.8
153.06982	3.4
154.07777	2.5
155.08577	9.8
156.09361	13.9
157.06548	2.7
157.10155	21.4
158.07289	1.9
158.10965	3.6
159.08075	17.8
159.11710	7.9
161.05991	2.2
161.09639	26.1
163.07559	100.0
165.07047	3.8
165.09099	1.9
167.08575	6.1
169.10153	10.2
170.10873	5.2
171.08031	6.4
171.11708	35.7
172.08888	2.0
172.12381	3.1
173.05980	4.2
173.09645	13.3
173.13278	13.0
175.07565	16.9
175.11220	7.1
178.07805	2.0
179.08578	4.8
180.09361	2.4
181.10118	5.7
181.86023	1.5
182.07307	1.9
182.10963	9.0
183.08168	2.0
183.11716	15.7
184.08916	2.4
184.12440	1.7
185.09680	7.7
185.13271	10.2
186.10364	2.3
187.07535	3.8
187.11165	6.1
187.14813	8.9
189.09087	4.2
189.12717	1.9
192.09439	1.5
193.10158	5.4
194.10861	4.0
195.08026	1.8
195.11714	7.3
197.09642	4.5
197.13260	21.5
198.10535	1.8
199.11272	12.1
199.14915	4.1
201.09102	2.3
201.12762	10.6
203.10703	3.4
205.10190	1.9
206.10924	3.2
207.11699	4.9
208.12471	1.8
209.09685	3.9
209.13243	9.4
211.11234	8.8
213.12753	5.6
215.10730	4.6
215.14339	22.4
219.11726	3.4
220.12491	2.9
221.09697	1.8
221.13280	4.9
223.11137	4.3
223.14682	2.6
225.12717	7.1
227.10796	1.5
227.14304	4.9
229.12280	10.8
231.11719	3.3
231.13857	4.1
233.13246	2.0
235.10947	2.0
235.14828	3.8
237.12839	4.1
239.14279	2.1
241.12296	1.8
243.11761	2.3
243.13881	11.5
244.12442	2.6
245.13266	2.2
245.15462	4.0
247.11253	2.2
247.14818	2.4
249.12769	4.5
249.16365	2.8
251.10529	2.3
251.14383	2.1
253.15857	2.8
257.13455	1.7
259.11176	2.3
261.12744	1.9
261.16519	3.1
263.14200	4.0
271.11197	2.1
271.14328	1.6
272.11914	1.8
273.12787	3.4
275.14343	3.5
277.16052	3.2
279.14157	1.7
287.14325	2.6
289.15866	1.7
295.17218	2.3
298.13498	2.2
299.14276	3.3
301.15915	2.5
303.17294	3.4
311.14111	1.7
312.14938	1.9
313.15808	5.0
315.17548	2.2
317.18936	4.5
323.14270	2.2
327.17316	3.1
328.18179	3.2
329.18967	3.8
331.16815	3.0
333.22107	2.1
337.17978	1.8
338.16635	2.3
341.18945	2.4
343.20609	10.0
345.18558	8.9
347.19986	4.8
353.19162	7.6
356.17520	3.2
359.19867	3.5
361.21848	11.2
363.19644	2.6
371.20065	33.2
377.21286	2.1
389.16025	2.4
389.21146	43.5
407.22275	9.5
431.22305	8.5
449.23508	9.4
467.24332	4.6
469.14304	3.2
491.24042	2.5
493.23300	2.1
509.25272	3.1
613.27496	2.1
649.31451	2.0
649.40619	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	649.301
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
53.03944	5.8
53.71193	1.6
55.01889	1.9
55.05511	13.6
65.03957	1.9
67.05511	5.2
69.03448	2.9
69.07075	3.7
77.03944	1.8
79.05484	8.2
81.03432	3.5
81.07082	2.5
83.04988	20.8
83.08614	1.7
87.04478	1.8
91.05475	12.4
93.07065	7.7
95.04998	13.5
95.08602	8.9
96.66282	1.7
97.02917	2.7
101.26297	1.5
103.05487	13.6
105.03402	73.8
105.04556	5.4
105.07043	19.6
106.93461	1.8
107.05006	4.5
107.08616	6.8
109.06537	4.9
111.04486	1.7
115.05457	3.8
117.07018	5.3
119.04966	2.4
119.08576	14.4
121.06544	7.0
121.10139	2.8
123.04478	2.3
123.08096	4.6
128.06236	5.1
129.07011	7.3
131.04938	23.6
131.08594	13.7
132.05231	2.4
133.06499	9.0
133.10165	8.9
135.04445	1.6
135.08090	5.2
136.75473	1.9
137.06000	2.7
139.98007	1.8
141.07011	4.7
142.07785	9.9
143.08556	14.6
145.06508	5.8
145.10107	11.2
147.08034	9.6
147.11740	2.1
148.07526	2.5
149.05986	2.7
149.09631	4.5
151.07588	4.0
153.06978	2.2
154.07806	1.9
155.08571	11.6
156.09367	13.1
157.06535	3.9
157.10139	23.0
158.07291	2.3
159.08073	23.0
159.11710	4.8
161.05980	13.4
161.09663	6.3
161.13312	1.8
163.07567	5.2
163.86496	1.7
165.05756	2.0
165.07050	6.8
167.08484	4.3
168.09364	2.9
169.10152	11.0
170.10934	22.2
171.08116	9.2
171.11711	21.5
172.08856	10.3
173.09627	13.0
173.13260	9.6
175.11171	2.9
177.09113	2.8
179.07074	5.7
179.08577	2.8
180.09367	5.8
181.10146	4.0
182.10913	2.0
183.08109	15.4
183.11714	16.7
184.08879	4.4
185.09697	16.7
185.13254	30.4
186.10423	3.5
187.11195	27.2
187.14919	2.2
189.09138	4.4
189.12758	18.1
191.10742	2.0
193.10201	3.7
194.10873	2.5
195.11763	10.5
196.12416	2.0
197.09691	9.4
197.13232	6.6
198.10435	33.7
198.85796	1.8
199.11261	9.1
201.09352	1.6
201.12759	28.1
203.14233	3.2
207.11691	3.0
209.13260	3.0
211.11214	7.3
211.14874	2.1
213.12762	99.8
215.10605	3.5
215.14240	2.7
220.12270	1.9
221.13281	5.0
223.11259	2.7
227.10670	2.8
229.10278	2.2
229.12311	7.0
231.11768	3.2
231.13818	20.4
233.13275	4.3
235.11137	2.0
237.12901	2.6
241.12354	3.0
244.12408	2.2
246.14189	2.3
247.11133	2.0
251.14272	2.0
255.13925	2.1
257.15594	2.3
259.14847	2.2
275.14423	2.4
286.13568	2.4
301.16141	1.9
305.18924	2.2
313.18137	5.8
329.18982	2.3
331.16760	2.7
335.16440	100.0
345.18396	3.8
347.16269	2.9
347.19955	2.1
349.18002	2.4
351.15845	9.3
353.17453	12.6
361.17743	3.7
363.19751	3.7
365.17404	2.5
373.17941	3.7
391.19000	9.6
409.20248	12.8
427.21179	3.6
453.22842	4.0
531.23700	8.4
649.29712	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	649.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39694	1.5
53.03956	7.8
55.01871	19.4
55.05516	3.4
55.52324	1.5
56.94576	1.5
59.61608	1.8
65.35554	1.4
66.31264	1.7
67.05503	7.0
69.03434	7.9
69.07059	2.4
77.03951	2.0
79.05499	13.2
80.55391	1.5
81.02340	1.7
81.03423	13.2
81.07061	8.1
83.04971	5.8
85.78236	1.4
91.05488	31.7
93.07057	14.0
95.01341	1.7
95.04979	22.4
95.08604	6.7
97.06538	3.1
98.21526	3.2
103.05479	16.6
104.05776	2.0
105.03399	61.3
105.04478	2.6
105.07042	23.4
107.04984	9.0
107.08604	11.3
109.06544	5.7
109.10165	2.6
115.05463	6.8
117.07011	17.1
119.04902	2.6
119.08593	40.2
121.06484	7.4
121.10136	6.7
128.06245	7.7
129.07011	24.3
131.04948	38.3
131.08578	19.0
132.05309	5.4
133.06477	6.1
133.10147	18.1
135.08083	9.8
141.07031	5.4
142.07788	9.4
143.08546	17.0
145.06509	12.5
145.10129	17.2
146.07085	1.8
147.08057	100.0
147.11653	3.3
148.08301	2.4
149.09601	6.2
153.06979	3.1
154.07668	2.3
155.08543	8.4
156.09309	10.7
157.06477	1.7
157.10143	21.0
158.10637	2.3
159.08066	18.7
159.11653	9.0
161.06027	2.5
161.09651	34.5
163.07561	24.7
163.11165	1.9
165.07008	4.3
165.09120	4.1
166.07765	3.3
167.08582	5.5
168.09377	4.4
169.10162	13.3
170.10808	4.9
171.08035	8.4
171.11720	26.3
173.05927	3.8
173.09651	17.2
173.13300	8.0
174.10022	2.4
175.07576	6.4
175.11154	7.6
177.09081	2.1
179.08598	5.3
180.09274	3.4
181.10088	7.6
182.10947	3.1
183.08115	4.9
183.11708	25.5
184.12321	2.7
185.09647	11.2
185.13257	15.3
186.10297	2.2
187.07599	4.5
187.11159	9.0
187.14812	4.1
189.09120	5.8
189.12683	2.0
191.08647	1.7
191.10683	3.3
192.09421	3.0
193.10158	7.9
194.10904	3.0
195.08084	2.3
195.11778	11.0
197.09612	8.8
197.13293	15.4
198.10332	2.7
199.11169	11.4
199.14914	2.2
200.11774	1.8
201.09146	5.1
201.12721	7.3
203.10674	3.1
205.10124	2.3
206.10889	3.3
207.11719	7.5
209.09654	3.1
209.13268	6.3
209.28334	1.5
211.11188	11.3
212.71550	1.7
213.09142	2.6
213.12756	19.8
215.10648	3.8
215.14330	6.7
217.12152	2.2
218.10834	2.7
219.11765	3.3
220.12511	5.2
221.13361	8.3
223.11201	4.8
223.14824	4.7
225.12772	9.2
227.10698	2.8
227.14362	2.6
229.10251	2.9
229.12253	13.7
230.10735	3.4
231.11722	4.4
231.13803	6.5
232.12280	2.1
233.09708	1.9
233.13310	3.6
234.14008	2.5
235.11308	2.1
235.14796	3.9
237.12761	2.4
237.16444	2.6
241.12247	4.8
243.11722	4.0
243.13783	12.9
244.12459	2.4
245.15427	3.7
247.11087	2.3
247.14949	3.2
248.11887	2.8
249.12659	3.1
249.16472	2.4
251.14265	3.2
255.13928	2.1
256.12473	2.1
257.13318	1.9
258.14090	2.6
259.10995	2.2
259.13419	5.6
261.12668	4.6
261.16684	3.1
263.14331	6.0
269.13107	2.8
271.11319	2.0
271.14893	2.1
273.12579	3.7
275.14307	4.4
281.13086	2.8
283.14603	1.8
285.12631	2.5
287.14294	5.7
289.15915	1.9
291.17435	2.5
298.13345	3.8
301.15796	3.3
302.16290	2.6
303.17206	4.0
309.12747	2.1
312.15015	3.2
313.12573	2.2
313.15915	5.4
314.16498	2.1
315.17313	5.6
317.15417	2.2
317.19043	4.4
321.18314	3.4
323.14322	2.1
327.17319	2.4
328.17987	2.3
329.18896	4.9
331.17004	5.3
333.18158	1.9
333.22067	1.9
335.16428	4.0
341.18930	2.8
343.20340	8.3
345.18625	5.7
347.19980	4.4
349.17841	2.5
353.18835	4.7
357.18460	2.5
359.19971	3.6
361.21591	8.6
363.19751	2.1
371.20084	24.7
375.19440	3.8
376.20023	2.3
377.20895	3.6
379.22519	3.4
387.19763	2.5
389.21149	33.4
405.20444	4.6
406.20844	3.1
407.22119	13.7
423.21411	2.8
431.22202	5.3
449.23447	14.3
466.22812	3.7
467.24344	9.3
509.25159	5.3
631.28571	1.8
649.28674	2.9
649.38739	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	649.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.5
50.70227	0.5
51.02379	0.8
53.03952	3.0
55.01865	1.2
55.05511	0.9
55.12033	0.4
55.84660	0.4
63.64331	0.5
65.37453	0.5
67.05483	1.5
69.03432	1.4
77.03927	0.8
79.05506	2.9
81.03413	1.2
81.07066	1.1
83.04983	1.8
91.05492	3.0
93.07067	2.4
95.04963	3.7
95.08615	0.9
97.72078	0.5
103.05473	57.2
105.03400	5.2
105.04530	1.2
105.07030	3.6
106.03712	1.2
107.04936	2.8
107.08576	1.5
109.02909	1.8
109.06532	1.0
109.10183	0.5
115.05435	1.4
117.07008	2.3
119.08595	3.8
121.06514	1.8
121.10113	0.8
123.04423	1.0
123.08096	0.6
125.00565	0.5
128.06236	1.5
129.07019	1.6
131.04933	100.0
131.08568	3.9
132.05260	0.9
133.06490	2.5
133.10124	2.3
135.04439	0.9
135.08025	0.9
137.06012	0.6
139.03972	0.5
141.07018	1.3
142.07787	1.4
142.50929	0.5
143.08562	3.5
144.09341	0.6
145.06494	1.5
145.10146	2.2
147.08051	2.8
149.05997	2.1
149.09627	1.3
151.07542	0.6
153.05511	0.6
153.07013	0.9
154.07753	0.6
155.08565	1.2
156.09416	2.4
157.06430	0.7
157.10159	3.8
159.08069	3.6
159.11670	1.4
161.05992	2.1
161.09647	3.2
163.07535	1.3
163.11198	0.7
165.07033	0.8
166.07811	0.6
167.08530	1.1
168.09369	0.9
169.10164	2.7
170.10851	1.5
171.08078	2.2
171.11699	5.3
172.08858	0.7
172.12090	0.5
173.05930	0.7
173.09615	2.8
173.13252	0.7
175.07503	1.3
175.11118	0.7
177.05487	1.0
177.09164	1.0
179.07043	0.9
179.08565	1.4
179.10533	0.6
180.09401	0.6
181.06451	0.6
181.10135	2.7
183.08061	1.6
183.11668	2.7
184.08849	1.6
185.05965	1.2
185.09641	3.0
185.13312	1.5
187.07512	2.2
187.11172	1.3
187.23038	0.5
189.05516	0.7
189.09084	2.3
191.10777	0.9
193.10135	1.8
194.10950	0.7
195.07999	1.2
195.11710	2.0
197.09624	4.5
197.13316	0.7
198.10397	0.5
199.07564	1.4
199.11218	5.3
200.11946	1.0
201.09146	1.6
201.12811	1.5
203.07001	1.0
203.10689	0.5
206.10999	0.7
207.11713	1.5
209.09720	2.5
209.13292	1.3
210.10379	0.9
211.07722	0.5
211.11185	2.1
211.14743	0.7
213.09108	1.2
213.12752	1.7
215.10652	2.0
217.08582	7.1
217.10350	0.7
217.12263	0.7
218.09097	0.6
218.10988	0.6
219.10019	1.1
219.11848	1.0
219.13655	0.6
220.12540	0.6
221.09772	0.8
221.13290	1.6
223.11201	1.5
223.14815	0.9
224.11893	0.6
225.09128	1.1
227.07104	0.9
227.10675	8.2
229.08368	1.0
229.12315	1.2
230.11049	0.6
233.13396	1.0
234.10350	0.5
235.11287	0.9
235.14824	1.1
237.09131	1.2
237.12743	1.1
237.16557	0.6
239.10698	1.8
239.14442	0.7
240.11598	0.6
241.12260	1.4
243.11739	1.1
243.13834	0.9
245.08064	2.0
245.11606	7.0
246.14024	0.9
247.09518	0.8
247.14949	0.9
249.12923	1.1
251.10645	0.9
253.12424	0.8
255.09985	1.0
259.11011	0.8
261.12784	0.9
261.16534	0.5
262.13461	0.6
263.10580	0.6
265.12244	0.9
267.11743	0.7
267.14194	0.9
269.11664	1.0
271.13571	0.7
275.14520	1.1
276.15247	0.7
277.12244	0.7
277.15924	0.7
279.13840	0.6
287.09543	1.0
287.12897	4.2
287.17657	0.7
288.14761	0.7
289.12192	0.6
289.15848	0.8
291.13687	0.9
299.14133	0.7
301.12326	0.6
303.13828	1.0
303.17307	0.7
305.13754	4.1
313.15717	0.7
315.13455	0.6
319.16837	0.8
321.14883	1.2
323.14923	2.8
327.16269	0.6
331.16971	1.1
333.14572	0.7
335.16382	0.7
341.15350	0.9
345.14883	1.0
347.16553	1.6
349.17914	0.6
359.16370	2.5
361.18234	0.6
363.16055	1.6
365.17105	0.8
369.14719	0.6
375.15863	0.9
377.17603	2.0
385.14389	0.6
387.15805	3.6
389.16266	1.6
389.21060	0.5
395.18436	0.7
397.14578	0.9
403.15378	1.4
405.16605	2.7
415.15271	1.4
421.16440	1.0
423.17697	2.6
433.16562	2.0
435.18036	1.5
447.18091	2.5
451.17145	1.3
453.19080	0.9
465.19019	7.2
483.20212	9.6
501.21362	3.3
509.21280	0.8
589.24127	0.9
597.79572	0.6
613.24335	0.6
631.25256	1.5
649.26245	4.6
656.20197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
55.01872	1.7
55.05500	0.9
67.05525	0.8
69.03429	1.9
69.07076	0.9
70.15565	1.0
70.15917	2.1
70.21621	0.5
77.03919	1.2
79.05502	4.8
81.03430	3.4
81.07049	2.1
82.84646	0.6
83.04983	2.0
88.96700	0.6
91.05487	6.3
93.07057	4.5
95.01365	0.5
95.04980	4.6
95.08617	1.4
97.06561	0.8
103.05479	50.2
104.86266	0.6
105.03417	1.1
105.04585	0.7
105.07034	8.0
107.04960	6.2
107.08598	1.7
109.02877	3.5
109.06505	1.6
111.04435	0.8
115.05475	2.0
116.06181	0.6
117.07016	2.9
119.08595	7.2
121.02908	1.1
121.06528	3.1
121.10157	1.0
123.04438	2.0
123.08054	1.2
125.06007	0.8
128.06239	2.0
129.07016	2.4
131.04941	100.0
131.08572	6.3
132.05272	0.6
133.06487	3.2
133.10162	3.9
135.04439	1.6
135.08057	2.4
135.08984	0.6
137.05963	0.7
141.07018	2.1
142.07837	1.8
143.08603	6.0
144.09360	0.7
145.06505	2.7
145.10135	2.5
147.08047	4.5
149.06015	5.7
149.09593	1.0
151.07581	1.3
153.05496	1.2
153.06984	1.4
154.07780	1.5
155.08554	3.4
156.09337	4.6
157.06555	0.8
157.10129	4.1
158.07266	0.9
159.08076	6.5
159.11713	2.4
161.05980	2.5
161.09618	4.7
162.06873	0.7
163.07581	2.2
165.07024	2.3
166.07776	1.4
167.07152	1.1
167.08589	1.9
168.09354	1.1
169.06517	2.2
169.10146	4.4
170.07076	0.7
170.10962	2.1
171.02931	0.9
171.08105	3.5
171.11722	7.2
172.08881	0.9
173.05998	1.0
173.09659	4.6
173.13292	0.8
175.07567	2.3
175.11198	1.2
177.05486	2.1
177.09152	2.9
178.07834	1.1
179.07130	0.9
179.08609	3.5
179.10757	0.9
180.09448	1.3
181.10110	3.9
182.07314	0.7
183.08089	4.0
183.11688	3.9
184.08902	2.0
184.12572	0.7
185.05983	3.2
185.09608	4.4
185.13232	1.2
186.10532	1.0
187.07550	4.2
187.11206	1.9
189.09149	4.5
191.07050	0.9
192.09341	1.1
193.10199	2.1
194.10954	1.5
195.06531	0.9
195.08138	1.2
195.11739	2.3
196.08847	0.7
197.06145	0.7
197.09648	9.7
199.07579	2.4
199.11192	10.4
200.11961	4.3
201.09206	3.0
201.12787	2.1
203.07024	1.5
203.08777	1.0
203.10703	1.5
204.09567	0.7
205.08495	1.2
205.10316	0.9
206.10918	1.7
207.11754	1.9
208.08896	0.6
208.12526	0.9
209.09692	5.4
209.13315	1.7
210.10391	1.9
211.07635	1.5
211.11185	5.1
211.14775	0.8
212.11993	0.7
213.09103	2.0
213.12758	1.9
215.07019	1.4
215.10696	3.9
216.09341	1.0
217.08575	12.8
217.10275	1.2
217.12292	1.7
218.10995	1.1
219.08339	0.9
219.10219	1.7
219.11922	1.2
220.12506	1.0
221.09624	1.8
221.13300	1.6
223.11177	2.4
223.14734	1.0
224.11844	1.1
225.09207	1.8
225.12773	1.9
226.09895	0.8
227.07182	1.4
227.10683	21.7
227.14203	1.1
229.08493	1.4
229.10347	1.0
229.12323	2.6
230.10904	0.9
231.09955	1.2
231.11960	1.4
232.12581	1.0
233.09662	1.3
233.13394	1.3
235.11311	1.7
235.14894	1.1
236.11911	1.0
237.09195	2.3
237.12752	1.9
238.09985	0.7
239.10733	2.9
239.14320	1.6
241.12286	1.7
243.11868	1.5
244.12578	1.0
245.08069	2.4
245.11685	19.2
247.09427	1.0
247.11528	1.0
247.14928	1.3
248.11769	1.1
249.09010	1.0
249.11151	1.8
249.13208	1.1
249.16516	1.0
250.13551	1.2
251.10703	1.7
251.14433	1.1
252.14909	0.7
253.12407	1.6
255.10057	1.9
256.12595	0.9
257.13541	1.0
259.13321	0.8
260.11978	0.8
261.12830	1.9
262.13489	0.8
263.10559	1.4
263.14462	1.4
265.10522	1.0
265.12595	0.9
267.09903	1.0
269.11621	3.5
271.13373	1.3
273.13046	1.3
274.13550	0.8
275.10599	1.0
275.14334	2.3
276.14804	1.0
277.12286	2.1
277.15610	0.6
279.14001	0.9
281.11734	0.8
284.12085	0.7
285.12610	0.7
287.12640	7.8
289.12164	0.9
289.15930	0.9
295.13452	0.9
298.13782	0.7
299.14230	0.7
303.13870	1.8
303.17227	0.8
305.13757	9.0
307.13263	0.8
315.13602	1.5
317.14249	1.9
319.13376	1.1
319.16910	1.3
321.14948	2.5
323.14816	5.3
326.13077	0.7
327.16260	0.8
329.11807	0.8
329.15411	1.5
331.16959	1.9
333.14673	1.1
335.16479	1.4
341.15408	1.0
345.14914	2.3
347.16360	2.2
349.17792	0.9
350.54269	0.6
351.15799	0.9
357.14960	1.1
359.16440	2.7
361.17725	0.7
363.15887	3.3
369.14560	1.2
371.14951	0.9
373.14392	1.7
375.15988	1.2
377.17471	3.0
381.17072	1.1
383.18610	0.7
385.14182	1.2
387.15750	3.3
389.16135	3.2
391.15555	0.9
395.18900	0.9
401.19659	0.9
403.15430	4.2
405.16904	4.8
415.15509	1.7
419.18671	1.2
421.16254	1.2
423.18185	5.5
433.16492	4.5
435.17972	1.6
437.19287	0.9
441.19275	1.4
447.18161	3.9
451.17502	2.1
453.19174	2.1
465.19128	11.5
469.19394	0.6
483.20172	14.7
501.21262	4.1
509.21585	1.5
589.23553	0.9
613.24091	1.0
631.25470	1.9
649.26398	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	648.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83500	0.7
53.03929	2.2
55.01866	1.0
55.05265	1.1
55.05513	15.6
57.03439	8.3
57.07066	3.1
59.04981	0.8
65.03931	3.6
67.05507	57.1
69.07070	21.2
70.42247	1.9
70.42606	1.3
71.04987	1.5
71.08631	1.1
79.05493	29.6
81.07061	52.2
83.05017	1.0
83.08615	10.1
85.06523	2.0
88.28431	0.7
91.05481	19.1
93.07046	34.9
93.48730	0.8
95.04986	1.8
95.08608	34.9
97.06567	3.6
97.10164	4.3
97.34809	0.7
99.08106	1.4
105.07032	12.2
107.08598	16.3
109.10158	11.5
111.08045	2.5
111.11694	1.1
114.52877	0.7
117.07007	4.4
117.08344	0.8
119.08579	9.8
121.10143	26.0
123.11704	5.7
125.09646	1.0
129.07031	1.3
131.08563	6.0
131.84583	0.8
133.10135	10.4
135.08029	0.8
135.11691	13.8
137.13252	1.4
143.08618	1.0
145.10133	5.0
147.11688	7.6
149.13278	5.0
153.12732	0.8
157.10083	1.1
159.11665	4.0
161.13345	4.5
163.11197	0.8
163.14801	1.8
165.12735	1.0
171.11710	1.9
173.13260	2.0
175.14824	2.5
177.12785	1.5
185.13251	1.4
191.18129	0.8
241.19530	2.9
245.22556	1.6
256.12573	0.8
257.18942	0.8
259.20596	12.1
261.22156	1.1
263.23715	2.3
277.21640	8.8
315.23260	1.9
333.24316	11.1
335.25870	3.3
337.27371	100.0
338.13785	0.7
338.27643	1.7
339.29034	0.8
350.19345	0.8
351.25290	28.3
351.29608	1.3
517.38513	0.9
521.43195	1.0
535.80542	0.8
580.72430	0.9
581.16235	0.7
595.47449	4.1
607.25763	0.8
613.48254	26.4
648.48865	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	649.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01877	0.6
56.96564	2.0
57.03444	2.5
59.04991	0.9
61.02934	3.8
69.03436	12.3
69.07065	1.6
70.03757	0.7
70.06591	0.6
71.05008	1.1
71.53898	0.7
71.54261	0.5
73.02920	3.4
73.06561	0.8
73.37038	0.5
79.05487	1.9
81.03432	3.8
81.07054	2.1
84.08128	0.8
84.96049	0.8
85.02915	21.3
86.03213	0.6
87.04478	3.8
91.03954	1.6
91.05515	0.6
92.11359	0.5
97.02903	9.4
97.06539	4.2
98.97587	4.9
99.04451	1.8
99.08080	1.1
103.03942	1.1
109.02888	2.6
110.97574	1.7
112.99124	1.0
115.07565	0.6
116.98618	2.0
119.01838	0.8
125.05999	5.3
125.53450	0.5
126.06308	0.6
127.00698	0.8
127.03951	5.0
128.02275	1.2
128.98648	1.3
130.72067	0.5
136.55484	0.5
137.05923	0.6
143.00174	0.9
143.07063	1.8
145.01732	1.5
145.04956	2.2
147.04390	0.7
148.03954	0.5
158.99675	3.8
159.04915	3.7
161.01285	0.8
161.08069	2.1
163.04008	0.7
166.03943	0.7
168.05482	4.0
168.55678	0.7
170.99635	1.0
175.04436	5.0
175.55962	0.6
177.00748	1.8
177.05585	0.7
181.04430	5.4
182.03357	1.3
184.04944	1.8
187.02737	2.6
190.03169	0.9
190.04941	19.6
190.55119	2.1
191.03905	0.8
199.02742	0.9
199.05469	2.3
201.00766	2.2
201.55746	1.1
205.03918	1.8
211.02768	0.6
217.03845	0.8
219.01772	12.6
224.07843	0.8
229.03862	1.3
231.07124	0.8
237.02841	10.7
246.07578	2.3
247.06543	1.0
252.07677	0.8
255.03853	0.5
259.04947	0.7
261.08148	3.7
262.07034	1.1
271.04919	1.1
271.07642	0.5
273.08118	0.6
275.04459	1.1
289.06024	4.2
293.05475	1.2
303.09024	0.6
307.06989	1.3
319.07071	16.1
319.10733	1.1
320.07672	0.9
326.09384	0.7
326.60825	2.1
327.10181	32.9
327.60510	5.6
328.11270	0.7
331.07043	1.2
335.10101	0.7
337.08096	11.2
342.10745	100.0
342.60919	16.8
343.10965	1.1
343.60904	0.6
349.07877	1.9
349.11664	1.6
361.08212	0.8
383.61316	0.5
488.16754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01861	1.8
55.05511	26.7
57.03429	8.5
57.07067	2.7
65.03938	4.4
65.61607	1.9
67.05508	100.0
69.06722	3.0
69.07071	34.3
71.15477	3.5
79.05497	56.4
79.05964	2.7
81.07062	85.3
83.05009	2.4
83.08630	17.9
85.15141	1.6
91.05483	39.5
93.07047	55.8
95.04949	4.7
95.08611	64.8
97.06551	4.5
97.10162	8.3
105.07043	20.4
107.08604	25.4
109.10155	23.2
111.08089	3.2
111.11792	2.3
117.07037	6.7
119.08591	21.0
121.10146	48.5
122.51553	1.6
123.11700	6.4
131.08591	9.8
133.10144	22.3
135.11697	22.6
137.13257	2.5
138.83331	1.8
145.10129	9.2
147.11682	12.5
149.13297	9.1
159.11702	5.9
161.13275	8.3
163.14833	4.1
173.13290	4.5
175.14796	4.3
177.12766	2.4
185.13213	3.8
187.14851	2.2
241.19510	5.0
243.21167	3.5
245.22571	2.4
257.18802	2.9
259.20551	21.8
261.22128	5.2
263.23746	5.0
277.21582	13.8
279.23257	3.2
315.23080	3.4
333.24203	13.2
335.25821	52.6
337.27383	65.9
339.28909	2.3
351.25381	21.3
353.26804	18.8
375.27280	1.9
384.90497	1.9
595.46906	13.0
613.48303	95.6
614.47815	2.6
648.49097	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	648.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00243	3.2
53.03922	5.4
55.05516	24.0
57.03435	5.5
57.07072	5.6
67.05177	4.5
67.05505	58.7
69.07059	20.7
71.04983	7.1
78.75203	3.1
79.05128	3.8
79.05495	42.3
81.07057	64.2
83.08611	12.8
91.05492	32.3
93.07040	32.6
95.08614	47.8
97.10120	4.8
98.21121	19.4
105.07032	18.8
107.08608	19.3
109.10152	16.0
117.07029	5.5
119.08548	13.7
121.10157	17.5
123.11668	4.8
131.08528	7.0
133.10110	13.0
135.11674	12.7
145.10114	6.4
147.11774	7.2
149.13281	4.7
159.11681	9.0
161.13239	6.5
163.14825	4.9
173.13139	4.6
241.19377	6.2
245.22527	7.8
249.61841	4.0
259.20621	7.9
263.23703	6.7
277.21344	4.2
331.65207	3.5
333.24231	9.5
335.25803	4.0
337.27344	100.0
351.25189	19.4
393.71069	3.8
476.94458	3.4
565.20850	3.7
613.48096	28.5
628.28705	3.7
629.00092	4.0
648.48779	4.6
649.49786	4.4
670.57135	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.05513	23.2
57.03424	10.1
57.07066	4.3
65.03930	5.4
67.05505	100.0
69.07072	30.3
71.04989	4.1
74.09716	5.1
77.03904	2.2
79.05491	89.0
81.07060	83.3
83.04978	3.1
83.08610	10.6
85.06536	4.7
86.72395	2.3
91.05484	56.0
92.05755	3.5
93.07045	88.3
93.07632	5.7
95.00634	2.2
95.04958	7.2
95.08610	46.8
97.06535	13.4
97.07085	2.0
97.10162	4.3
99.08037	2.2
104.30383	2.4
105.07033	36.3
107.08593	43.5
109.06506	3.0
109.10160	14.1
115.62666	2.7
117.07031	15.1
119.08585	26.2
121.10146	79.4
121.26604	2.4
123.08062	2.7
123.11694	4.1
129.06964	4.4
131.08586	20.9
133.10138	24.7
134.00490	2.8
135.11694	36.9
137.09636	4.3
143.08577	4.2
145.10066	13.3
147.11713	16.5
149.09657	3.2
149.13261	7.4
153.12721	2.5
157.10112	3.7
159.11685	9.8
161.13261	8.4
163.11172	6.5
165.12712	2.7
171.11630	5.5
173.13254	6.9
177.12718	3.1
179.14319	2.6
185.13185	4.7
227.17899	8.1
241.19472	5.8
245.19057	13.0
259.20557	10.8
261.22079	3.4
263.20132	17.7
268.44659	2.6
277.21561	13.6
284.08224	2.8
319.22653	13.9
321.24512	3.6
333.24173	15.8
337.23727	85.0
349.23685	4.5
351.25247	66.3
458.23447	3.1
486.26404	8.1
502.29538	3.5
574.31873	6.1
579.29279	7.1
580.74994	2.7
588.32800	6.5
589.34174	12.6
595.43353	13.0
613.44629	48.0
648.27039	7.7
648.36298	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	648.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.6
55.01868	5.6
55.05518	16.7
57.27016	1.8
63.63644	1.8
67.05502	7.9
69.07065	3.1
69.29191	12.0
69.29603	3.5
76.94496	1.7
78.45074	1.7
79.05502	6.0
81.03436	5.5
81.07050	5.2
83.04981	21.7
84.05311	3.5
91.05492	12.7
93.07078	7.1
93.39470	1.8
95.04981	6.5
95.08614	4.5
97.06512	2.0
97.10188	2.0
103.04800	2.8
103.05476	47.7
105.07037	10.3
107.04942	3.5
107.08602	7.0
109.06544	2.7
109.10184	2.2
114.00278	1.8
114.08357	1.9
115.05466	2.0
117.07031	6.5
119.08589	14.4
121.06544	3.8
121.10161	4.0
129.06993	6.9
131.04939	100.0
131.08562	8.4
132.05273	1.8
133.10147	8.6
135.08110	4.3
141.06943	2.1
142.07823	3.2
143.08586	7.0
145.06491	6.1
145.10146	6.9
147.08060	34.0
149.09622	5.5
156.09352	4.3
157.10107	15.1
159.08078	20.9
159.11668	9.2
161.09657	15.3
163.07545	25.5
163.11168	3.3
164.60341	2.2
169.10155	4.8
170.10924	3.5
171.08136	2.5
171.11682	20.3
172.12604	2.2
173.05946	2.3
173.09634	6.8
173.13226	4.5
175.07553	3.4
175.11198	2.8
183.11720	11.3
185.09669	5.9
185.13261	13.8
187.07623	2.8
187.11237	5.1
189.09042	2.1
189.12823	2.3
193.10153	2.3
195.11717	5.2
197.09671	2.4
197.13287	4.2
199.11230	8.2
201.12773	4.1
203.08556	1.9
209.09621	1.9
211.11200	4.7
211.14862	2.1
213.12776	10.9
217.12202	3.7
221.13390	2.2
223.11205	2.6
225.12769	3.2
231.13786	4.2
233.15369	2.4
237.16315	2.1
239.10695	3.5
241.12256	3.5
243.11572	2.9
243.13889	2.6
245.15450	6.3
249.16115	2.2
251.14163	2.6
259.13330	6.3
263.16635	3.7
273.14981	6.2
274.13150	2.1
285.12637	2.4
287.14066	2.2
291.16064	5.7
298.13278	2.0
299.14291	2.4
300.14874	2.3
303.13974	2.5
311.14276	2.9
312.15106	2.5
315.13232	2.0
315.17432	4.2
317.19186	2.6
327.17300	4.6
328.17523	2.7
330.15741	3.8
333.18286	2.4
341.18951	4.1
345.18372	3.4
359.20380	5.4
369.18658	4.4
370.18881	10.2
387.19623	9.0
388.19931	8.7
391.22678	3.9
401.20908	4.6
405.20569	4.9
407.22086	4.6
419.22186	19.4
423.21545	5.1
437.23386	24.6
455.24448	16.0
548.27155	4.5
566.28613	2.4
567.27148	2.1
571.26904	6.5
585.28278	6.3
603.29730	15.8
648.33929	14.2
649.38794	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	648.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
54.74167	2.3
55.01862	8.5
55.05505	4.5
64.35109	2.3
67.05491	7.4
79.05481	9.7
79.36188	2.2
81.03406	7.8
81.07055	5.7
83.04983	3.5
83.40897	2.0
85.06593	2.8
85.87961	2.1
91.05495	16.9
93.07047	6.7
95.04964	8.4
103.05477	37.5
104.05774	2.9
105.03389	5.5
105.07055	12.7
107.04937	5.1
107.08625	6.8
109.10155	4.4
115.05452	9.5
117.07034	13.1
119.08588	20.5
119.88926	2.2
121.06479	2.8
121.10130	3.7
128.06255	4.0
129.07011	10.7
130.07787	2.9
131.04938	100.0
131.08569	19.0
132.05281	4.5
133.06546	3.7
133.10129	10.8
135.08061	9.1
141.06981	2.9
142.07738	5.8
143.08601	11.0
145.06500	11.5
145.10144	11.4
147.08069	50.8
147.09203	3.1
149.09618	6.5
155.08600	5.5
156.09357	6.4
156.31757	2.6
157.10139	22.3
159.08080	35.8
159.11725	17.5
161.09637	28.1
163.07553	44.7
163.11232	2.6
167.08658	3.5
169.10126	8.4
170.10852	3.4
171.08031	7.6
171.11716	31.2
173.09613	16.6
173.13210	4.3
175.07555	3.8
175.11182	3.6
181.10094	3.7
183.11758	16.4
185.09581	10.0
185.13263	24.6
187.07524	4.1
187.11188	6.8
189.09084	4.4
195.11725	5.8
197.09660	7.0
197.13167	4.2
199.11250	14.3
201.09050	4.2
201.12788	3.9
207.11664	2.9
208.12279	2.3
209.09564	3.0
209.13141	2.5
211.11176	4.3
213.12741	15.0
215.14349	2.6
217.12227	5.5
221.13202	2.7
223.11182	5.7
229.12259	5.4
231.13799	7.1
233.15448	4.2
237.12701	5.3
239.10576	3.6
241.12247	5.9
243.13861	4.9
245.15358	15.5
251.14369	3.8
255.11641	3.3
259.13342	9.2
263.16492	5.9
273.14938	11.0
291.16025	9.9
309.17133	3.5
315.17407	4.8
317.19046	4.8
319.16833	2.4
331.20636	3.2
333.18652	2.8
341.19141	3.9
345.18549	5.6
359.20044	7.4
387.19424	10.3
389.21103	7.4
391.22787	4.6
401.21017	7.8
405.20627	7.2
407.21878	7.0
411.21768	2.9
419.22263	27.8
423.21732	8.2
425.23428	3.2
437.23264	35.2
455.24628	14.4
571.26971	12.3
585.28430	4.3
603.29651	30.2
648.34485	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	648.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
55.01871	3.4
55.05515	40.1
56.91770	3.0
65.03943	3.4
67.05488	6.6
69.03423	8.4
69.07063	5.4
71.55780	4.4
73.28779	2.9
75.03533	2.9
78.45934	2.7
79.05490	13.6
81.03414	7.7
81.07057	9.6
83.04980	65.5
83.89083	2.8
85.02923	3.5
91.05479	30.1
93.07032	16.5
95.04980	18.6
95.08595	9.7
97.58311	3.2
103.05469	26.5
104.05803	5.8
105.03407	21.5
105.04550	4.0
105.07025	30.0
106.03718	3.5
107.03567	3.3
107.04951	7.7
107.08594	13.5
109.06511	11.6
115.05463	7.8
117.07015	24.0
119.04948	3.1
119.08601	32.0
120.08900	4.0
121.06526	7.7
121.10117	8.6
123.04429	4.5
123.08083	5.3
125.05952	5.5
126.05494	13.6
127.03986	3.6
128.06155	5.0
129.07018	11.2
131.04945	61.0
131.08575	18.2
132.05272	14.5
133.06479	11.0
133.10167	22.9
135.08049	12.0
135.11598	3.4
136.06200	32.8
137.05943	5.7
141.06924	4.6
142.07800	6.3
143.08566	20.3
145.06483	13.3
145.10101	17.9
146.07137	3.1
147.08063	15.1
147.11687	3.6
149.06015	4.5
149.09621	9.5
155.08533	9.6
156.09285	6.8
157.06400	3.8
157.10130	28.2
158.10416	3.1
159.08067	17.5
159.10316	3.6
159.11646	16.5
161.05981	13.6
161.09602	14.1
162.06430	3.4
163.07535	10.9
167.08546	7.0
168.09258	5.6
169.10123	12.8
170.10817	9.3
171.08029	10.5
171.11696	40.2
172.12062	6.0
173.06010	5.4
173.09633	16.1
173.13283	4.8
174.13426	3.6
175.07549	13.7
175.11214	6.3
177.09116	25.6
179.08647	6.0
179.10606	5.4
181.10146	3.8
182.10846	3.7
183.08043	10.4
183.11690	31.4
184.12080	10.0
185.09586	10.0
185.13266	26.5
186.13698	4.0
187.07477	4.3
187.11183	6.9
189.09142	6.3
191.07027	3.8
191.10657	7.9
193.10190	5.9
195.11702	8.7
197.09634	9.7
197.13203	3.8
198.10306	6.4
198.13635	4.2
199.07520	4.2
199.11214	14.9
200.11829	3.6
201.09096	6.3
201.12743	8.1
203.06903	3.4
203.10721	5.1
205.10231	5.0
207.11633	9.3
209.09422	5.0
209.13304	5.6
211.11090	6.1
213.09154	5.3
213.12721	26.3
214.18217	3.3
215.10655	5.7
217.08588	4.3
217.12206	7.3
219.11766	5.3
221.13185	6.7
223.11174	7.3
225.12654	7.0
227.10699	7.2
229.12315	7.4
231.11819	5.1
231.13675	16.6
232.12332	7.2
233.13358	5.6
235.11107	4.8
235.14839	7.6
236.15318	4.7
237.12679	5.5
243.13757	4.8
244.12428	3.9
245.13188	5.8
247.14903	7.7
251.14357	6.7
255.13837	4.9
258.13904	6.0
259.13229	8.0
261.12665	8.1
262.13376	5.2
269.13065	4.2
270.13940	4.2
271.14825	5.0
272.15262	3.6
273.16382	5.1
276.14664	4.1
277.14511	4.7
281.13165	3.4
283.14603	4.8
287.14285	3.7
288.14896	3.4
289.15649	5.7
299.14392	4.2
302.16113	4.5
303.17319	5.2
313.12427	3.4
315.17416	4.7
317.15228	5.0
321.18362	5.4
329.18896	5.1
331.16702	7.5
343.16946	9.1
357.18478	8.0
361.17972	7.0
373.17944	9.0
375.19287	5.5
377.17291	5.5
377.21655	4.3
379.19034	3.7
385.18051	6.6
388.19824	6.6
392.19275	4.3
402.18335	4.0
403.19077	15.7
421.20007	14.9
430.23819	6.7
435.21506	10.2
439.21112	5.7
448.24826	6.1
451.08731	3.9
453.22623	10.4
481.22092	6.8
495.23563	4.9
508.27237	4.3
513.25116	20.6
581.27222	9.9
595.28613	8.9
599.28442	15.5
613.30133	100.0
630.33691	4.3
648.30890	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	647.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.7
55.01870	2.0
55.05512	21.1
57.02368	0.6
57.03437	8.4
57.07078	2.1
58.94854	0.6
65.03945	5.2
65.95071	0.6
67.05505	92.5
68.05843	0.8
69.03442	1.1
69.07072	18.9
69.21844	4.3
69.22249	1.7
71.04996	10.7
75.04481	1.1
77.03939	1.1
79.05495	61.6
80.64023	0.6
81.03436	1.0
81.07058	100.0
83.04998	3.1
83.08622	11.5
85.06542	5.6
87.04473	0.7
87.98823	0.7
89.27092	0.6
91.04885	1.4
91.05481	45.6
93.07046	66.9
95.04968	5.6
95.08607	70.7
97.06525	6.1
97.10172	5.5
98.21520	1.5
99.08089	2.8
100.25462	0.6
103.05425	1.0
105.04514	2.4
105.07034	35.2
107.08595	32.6
109.06516	2.6
109.10158	26.2
109.10925	0.8
111.08078	3.2
111.11707	1.4
113.09680	0.8
114.56954	0.5
115.05473	1.2
117.07014	11.5
119.08582	25.0
121.06538	1.1
121.10144	42.2
123.08092	2.9
123.11707	8.5
125.09631	1.3
127.07562	0.9
128.06197	0.8
129.07018	3.4
131.08565	18.6
133.10129	24.3
134.69936	0.6
135.08063	2.1
135.11694	26.9
136.06190	0.9
137.09605	2.4
137.13242	2.2
139.11186	1.7
141.07005	0.8
143.08553	4.3
145.09045	1.0
145.10118	13.9
147.11694	14.9
149.09579	1.4
149.13269	10.1
151.11160	1.4
151.14856	1.3
155.08617	0.6
157.10139	3.5
159.11699	9.0
161.09642	0.8
161.13258	10.1
163.11183	1.5
163.14819	2.2
165.12761	1.9
166.70590	0.5
167.10681	0.7
169.10170	1.0
171.11705	4.8
173.13245	6.9
175.14818	4.4
177.12781	2.3
177.16331	1.5
179.14331	3.0
181.12193	1.1
185.13280	5.2
187.14796	2.2
189.16447	0.7
195.11707	0.7
195.13757	1.1
197.13350	0.9
199.14845	3.2
201.16415	1.1
205.15866	1.2
209.15262	0.9
213.16408	1.2
215.17905	0.7
231.17516	0.9
235.16846	1.1
241.17429	0.9
241.19528	5.3
243.21077	2.2
257.18976	1.0
259.20557	14.4
261.22141	7.9
275.19910	0.8
277.21603	6.8
279.23108	1.9
333.24222	13.5
335.25790	14.7
351.25296	43.2
353.26862	57.7
354.26846	1.4
415.06238	0.6
519.41852	0.9
537.42804	2.5
611.46899	4.8
629.47723	15.3
647.47113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.05271	1.9
55.05515	25.6
57.03426	2.6
57.07070	6.6
57.62457	1.2
65.03936	4.4
67.05509	75.1
69.07070	35.7
69.41721	1.3
69.95756	6.1
71.05001	2.9
71.08635	3.2
71.24808	1.5
79.05064	2.2
79.05496	31.8
81.03401	1.5
81.07063	75.8
83.04966	2.6
83.08622	24.1
85.06555	3.5
91.05486	19.7
93.07050	32.7
95.04964	3.4
95.08613	69.7
97.06513	4.0
97.10186	13.2
98.20818	1.9
99.08068	2.0
105.07051	15.5
107.05069	1.6
107.08597	18.8
107.94178	1.6
109.06531	1.5
109.10162	25.2
110.10508	1.5
111.08086	1.7
111.11699	5.3
117.07033	4.3
119.08598	12.6
121.10152	25.0
123.08070	1.7
123.11700	9.9
123.77783	1.4
125.13274	1.4
131.08606	9.0
133.10118	10.3
135.11713	14.9
137.09566	1.5
137.13260	3.3
139.11194	1.5
145.10109	5.4
147.11720	7.1
149.13263	5.7
151.14879	1.5
153.12778	2.6
153.24420	1.4
159.11694	3.2
161.13264	6.2
163.14813	2.6
165.12781	1.7
173.13274	2.0
174.66696	1.4
175.08044	1.5
175.14830	2.1
187.14879	1.9
217.19585	3.8
224.82423	1.3
235.20596	4.5
237.22054	1.9
243.21149	2.4
259.20352	2.5
261.22214	7.3
277.21423	2.2
279.23233	2.6
303.23358	1.7
321.24286	6.1
365.34015	1.5
377.26782	3.7
391.19086	1.3
535.39789	3.3
587.46954	3.0
647.49207	100.0
648.49133	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	647.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.05516	8.6
57.03430	1.3
57.07078	4.6
59.99788	0.8
60.25425	0.8
65.03935	1.2
67.05508	28.9
69.03434	6.0
69.07068	5.0
71.04984	2.6
71.20746	1.7
79.05495	10.6
81.03427	7.0
81.07062	14.3
83.04989	4.2
83.08602	1.7
85.02905	3.1
85.06551	12.1
86.95747	0.8
91.05486	12.3
93.07048	17.5
95.04991	4.6
95.08613	100.0
96.70197	0.9
97.02894	3.5
97.06535	2.7
97.10171	1.2
99.04482	1.1
99.08095	1.2
103.05492	0.9
105.07034	15.0
107.08603	16.1
109.02913	1.2
109.06509	3.7
109.10162	6.7
111.04427	2.7
111.08104	1.7
113.05324	1.4
113.06020	12.7
115.05407	1.0
117.07029	5.0
119.08591	25.5
121.06548	2.0
121.10149	12.5
123.08076	35.9
123.11686	4.9
125.09648	1.0
127.03890	2.0
127.07612	1.0
128.19966	0.9
128.74060	0.8
128.74997	0.9
129.06996	3.7
130.07799	0.9
131.08589	9.3
133.06462	2.4
133.10156	8.5
135.08081	3.1
135.11703	20.6
137.09653	4.2
137.13246	1.8
139.07600	0.9
143.08583	3.1
145.10133	6.4
147.08043	3.3
147.11705	11.7
149.09633	42.5
149.13277	1.9
151.07574	2.7
151.14819	3.2
156.09340	1.8
157.10147	1.4
159.08046	2.3
159.11707	5.1
161.09656	2.0
161.13269	16.6
163.11205	10.2
165.09105	1.5
165.12749	7.9
169.10161	2.5
171.11684	6.3
173.09689	1.4
173.13271	3.8
174.10425	2.0
179.14297	5.7
183.11697	1.5
185.13275	1.3
187.14793	1.3
189.12764	21.8
191.14362	1.1
199.11192	1.2
201.12842	1.0
203.10777	0.9
204.99254	0.9
207.13817	87.4
208.14287	0.9
213.12764	1.1
215.14308	1.1
225.14809	1.2
259.20303	0.9
261.22168	2.8
277.21655	1.2
279.22879	0.9
291.23154	1.0
301.21948	1.4
303.23163	1.7
315.23288	1.2
341.24619	1.9
351.23062	1.9
369.24246	6.3
387.25412	5.2
405.26401	2.4
423.27454	1.9
492.91919	0.8
647.42499	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
55.01881	1.6
55.05523	5.1
62.59344	0.9
67.05515	5.4
69.03454	1.3
69.07083	2.6
71.05016	1.0
71.55229	1.7
79.05505	7.0
81.03431	1.6
81.07065	12.6
82.07412	3.1
83.05012	5.5
84.05331	1.3
85.06588	2.4
91.05502	6.6
93.07036	7.8
94.07420	2.1
95.05000	3.0
95.08621	4.7
95.14993	0.9
96.08949	1.0
97.06573	1.3
103.05479	11.5
104.05831	4.4
105.03405	2.4
105.07056	6.1
106.07431	1.2
107.07957	0.9
107.08627	4.6
108.08950	2.1
109.06537	5.1
109.10168	3.0
110.06904	1.1
117.07076	2.8
119.08617	8.1
120.08952	2.4
121.06527	1.6
121.10210	3.7
123.04252	2.5
123.08120	1.3
128.06306	1.2
129.07094	2.3
131.04942	17.3
131.05835	1.5
131.08626	4.0
132.05280	6.8
133.05597	1.4
133.06572	1.3
133.10141	5.0
134.10539	1.1
134.75104	1.0
135.08083	2.1
135.11743	1.5
137.09650	2.4
141.07083	1.1
142.07874	1.1
143.08640	4.0
144.09061	1.1
145.06525	1.2
145.10167	4.8
146.10483	1.0
147.08058	5.1
147.11754	2.4
148.12057	1.6
149.09679	2.6
150.09961	1.7
157.10158	8.4
158.10561	2.6
159.02217	1.0
159.08118	2.3
159.11754	3.6
160.12157	2.5
161.09708	2.2
163.07619	1.8
163.11259	2.6
169.10223	2.0
171.11749	4.4
172.12004	1.4
173.09695	2.0
173.13336	1.9
175.11328	1.3
176.07921	1.2
181.10143	1.5
183.11757	2.2
184.12102	1.2
185.13306	3.0
186.10336	1.0
186.13744	1.5
191.75697	1.0
193.12248	1.7
195.11740	1.6
198.13750	1.3
199.11217	1.8
201.12891	1.2
207.11789	1.5
209.39250	1.0
211.14723	1.2
213.12860	3.3
227.18048	3.0
228.18436	4.1
229.18727	2.0
234.13817	1.3
245.15260	1.0
246.19536	1.1
277.18924	1.1
287.20096	1.2
288.20630	2.0
289.20807	2.7
326.17075	1.0
378.25092	1.7
387.21545	1.1
395.19910	1.0
395.25958	1.7
396.26477	3.1
397.26514	4.5
398.27036	3.7
470.33005	1.3
487.28220	98.9
488.29010	2.9
496.31430	6.4
497.31784	9.8
498.32065	20.5
498.38840	1.4
528.30652	10.3
547.30353	1.9
587.33472	100.0
588.33984	2.5
647.37091	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	647.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.6
55.01878	27.2
55.05514	5.8
57.07067	2.8
65.03931	2.7
67.05511	12.8
68.19917	1.8
69.03416	6.0
69.07059	5.3
69.66582	6.8
69.66988	3.4
71.04993	2.0
71.27705	1.7
75.68273	2.0
77.03918	2.5
79.05499	19.4
81.03419	15.7
81.07071	14.7
83.04958	5.1
83.08642	2.0
85.06544	2.5
91.05490	47.8
93.07045	22.3
95.04985	16.7
95.08619	13.9
97.06541	13.1
99.08105	2.6
103.05473	6.9
105.03401	41.1
105.04507	4.2
105.06396	2.6
105.07044	36.4
107.04970	10.4
107.08609	15.6
109.06512	6.3
109.10168	7.7
115.03938	3.0
115.05470	10.3
116.06232	5.2
117.07026	30.5
119.04993	3.5
119.08592	52.9
121.06506	7.9
121.10163	11.4
123.08088	4.4
123.11646	2.0
128.06245	13.8
129.07010	31.6
130.07809	4.3
131.04958	6.3
131.08583	29.8
132.05739	1.9
133.06514	6.2
133.10138	36.8
135.08067	13.0
135.11682	4.4
137.09598	3.5
141.06995	6.6
142.07791	12.6
143.08591	24.6
144.05713	3.6
144.09344	5.6
145.06482	22.6
145.10138	29.0
147.08063	100.0
147.11699	5.6
148.08385	2.5
149.09650	14.7
151.07611	2.5
153.07005	3.2
154.07733	2.8
155.06107	2.0
155.08583	11.3
156.09378	19.2
157.06482	2.1
157.10150	44.9
158.07333	3.4
159.08081	40.0
159.11719	33.3
161.06012	4.2
161.09641	39.7
161.13278	3.1
163.07564	59.6
163.11174	10.6
165.06995	5.9
167.08661	4.5
167.10536	4.5
168.09375	4.3
169.10155	24.8
170.10942	12.9
171.08061	10.3
171.11708	75.7
172.12190	2.6
173.06003	8.9
173.09651	24.6
173.13261	10.9
175.07567	23.5
175.11247	8.5
177.09071	3.9
179.08606	4.2
179.10710	1.9
180.09381	3.2
181.10164	5.9
181.12166	4.3
182.10921	4.3
183.08147	4.2
183.11708	52.6
184.08928	2.8
184.12224	3.2
185.09637	17.2
185.13275	57.1
187.07611	5.1
187.11195	11.9
189.09048	5.3
189.12732	5.6
191.10637	2.6
193.10162	4.1
194.10890	2.4
195.11763	11.3
197.09639	11.2
197.13239	14.9
198.10432	4.1
199.11186	23.5
200.11905	4.0
201.09108	8.7
201.12798	9.3
203.10667	2.6
203.14345	3.5
205.06252	1.8
205.12198	4.5
206.10928	2.3
207.11679	7.4
208.08838	2.4
209.09729	4.8
209.13301	4.7
210.10286	2.2
211.11201	9.0
211.14767	1.9
213.12752	44.8
215.10608	4.2
215.14304	3.9
216.09387	2.4
217.10374	2.7
217.12213	4.8
219.11682	3.2
219.13670	3.1
220.12354	3.6
221.09618	3.0
221.13217	3.8
223.11192	7.0
223.14764	2.5
225.09235	2.1
225.12808	7.2
227.10712	4.1
229.10123	2.8
229.12230	4.1
230.10889	2.9
231.11784	4.2
231.13811	9.5
233.15352	8.0
235.11250	3.7
235.14914	3.1
237.12727	5.6
239.10838	3.6
239.14153	2.1
241.12250	19.5
243.13844	9.6
244.12444	3.2
245.13197	2.8
245.15410	39.9
245.17949	2.2
247.11118	3.3
249.12791	4.6
251.14279	2.4
255.13849	12.1
257.13062	2.1
257.15475	5.0
258.13904	2.6
259.13013	11.5
261.12640	3.3
263.16455	5.6
269.13242	3.6
272.15622	2.9
273.12537	3.9
273.14914	24.9
275.14139	4.4
275.20071	22.0
277.15982	4.0
283.14685	3.7
284.15503	2.4
286.13361	4.2
287.14224	4.4
289.14673	2.0
291.15985	3.2
297.12729	5.8
301.15649	3.2
303.13818	2.2
303.17316	2.6
311.14172	4.3
312.15225	4.6
313.15753	4.3
315.17523	7.9
317.19009	5.9
327.17459	14.2
328.18137	3.3
333.18323	3.3
341.19128	9.5
345.18570	10.4
357.18457	5.2
359.20105	13.2
369.18378	5.4
379.18680	2.5
387.19595	13.9
389.20862	7.3
391.22672	8.2
401.21121	20.4
405.20706	4.4
407.22141	5.8
419.22214	42.6
437.23398	6.8
489.25482	2.8
493.26080	4.7
507.27274	3.8
615.29523	10.9
629.30811	3.3
647.32159	7.7
648.39117	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	647.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.4
55.01851	9.4
55.05262	5.1
55.05511	61.9
66.49898	3.8
67.05491	20.3
69.03438	8.1
69.07056	9.0
77.03928	6.3
78.34477	4.1
79.05482	18.8
79.94180	4.5
81.03392	9.4
81.07063	23.7
83.04990	88.7
91.05484	34.7
93.07047	34.6
95.04971	24.1
95.08595	15.5
97.06508	9.0
103.05450	19.9
105.03398	100.0
105.04499	7.2
105.07038	45.7
107.04947	13.1
107.08592	18.8
109.06509	17.5
115.05446	12.1
116.06244	5.7
117.07030	31.9
119.04970	9.9
119.08581	44.0
121.06482	18.4
121.10120	12.8
128.06248	5.7
129.07030	24.0
130.07831	4.3
131.04944	43.3
131.08577	36.0
133.06491	32.2
133.10123	31.2
135.08063	21.2
137.09563	6.0
141.06949	12.9
142.07774	19.9
143.08585	38.5
145.06482	18.0
145.10133	34.4
147.08044	57.7
147.11722	6.4
149.06000	8.7
149.09642	20.8
151.07512	10.6
153.06964	8.0
155.08542	19.0
156.09309	19.9
157.10130	48.8
159.08066	37.0
159.11684	23.1
161.05948	20.6
161.09659	33.8
163.07536	16.5
163.11118	7.5
165.06917	6.7
167.08543	11.0
168.09380	6.3
169.10086	30.0
170.10895	17.6
171.08043	16.0
171.11690	80.8
173.09615	28.0
173.13251	8.8
175.07562	20.9
175.11096	5.4
179.07069	8.7
179.08549	10.3
180.09309	6.5
181.10124	20.0
182.10936	5.4
183.08066	10.9
183.11702	39.2
184.08858	9.3
185.09676	23.1
185.13289	69.7
187.11185	17.8
189.12704	5.6
191.10655	9.3
193.10147	14.7
194.10817	6.7
195.11749	28.5
197.09624	18.5
197.13261	16.4
198.10292	7.4
199.11200	37.3
200.11868	5.0
201.12752	15.6
203.06871	4.9
205.12093	4.9
206.10982	10.6
207.08104	6.0
207.11670	14.2
208.12524	5.0
209.09641	9.8
209.13211	10.6
211.11172	17.9
213.09077	13.3
213.12755	69.5
214.13042	6.8
215.10715	4.9
215.14268	5.0
217.10275	8.0
217.12119	7.1
218.10826	5.5
219.11624	13.0
219.13629	5.0
220.12381	9.3
221.09622	7.4
221.13220	22.8
223.11137	12.2
223.14827	5.9
225.12680	5.5
227.10738	6.6
229.10159	9.4
229.12184	13.1
231.11835	8.2
231.13799	24.1
232.12477	10.7
233.13135	14.7
233.15295	6.8
234.13850	6.7
235.11153	9.1
235.14740	9.7
237.12857	11.1
241.12288	20.6
243.11736	10.3
243.13809	13.6
244.12471	4.5
245.13193	13.0
245.15302	25.8
246.13994	10.1
247.11308	6.6
247.14871	9.2
249.12703	7.7
249.16501	7.7
251.10721	5.1
251.14293	9.1
253.12312	4.9
255.13921	8.3
256.12411	5.0
258.14087	10.7
259.10974	8.4
259.13159	13.7
259.15176	9.7
260.11948	4.5
261.12653	9.7
261.16556	11.1
263.14191	5.0
269.13306	6.4
272.12250	4.7
272.15576	10.2
273.12289	4.7
273.14670	22.2
275.14249	8.3
277.15930	10.7
279.13837	6.1
285.12738	8.5
285.16183	6.0
286.13568	6.6
287.14279	9.3
288.15125	6.0
289.15698	6.9
291.15887	9.4
295.17120	4.8
299.14343	7.7
300.14841	5.9
301.15842	14.0
303.17334	13.9
307.16867	5.4
313.15759	12.7
314.16119	5.8
315.17337	8.6
317.15250	12.2
317.18744	5.2
318.16003	4.9
319.17004	7.3
319.20508	5.7
321.18335	5.5
327.17212	8.9
329.15323	7.0
329.18893	6.8
331.13187	5.7
331.16818	15.4
333.18448	10.6
341.15027	5.9
343.16895	6.4
345.18433	11.7
347.16238	6.3
349.17963	7.5
351.19302	5.9
355.16678	6.4
359.16269	12.6
359.20120	12.3
361.17825	8.5
363.19742	7.9
367.19165	7.3
369.18280	6.6
373.17792	15.4
375.15509	6.0
375.19666	9.3
377.17392	13.4
379.19073	11.8
383.16205	5.6
387.19458	19.2
391.19016	25.5
393.20642	7.0
395.18512	10.0
401.17468	10.8
405.20630	26.2
407.18112	5.4
409.19894	13.9
419.18634	24.8
423.21548	8.2
425.19000	5.6
427.21033	6.7
433.20026	8.3
437.19626	27.7
439.21606	9.4
441.22479	6.4
451.15265	5.7
451.21161	44.8
455.20834	21.5
465.22366	6.8
469.22198	45.0
487.23297	20.0
497.21893	7.4
511.22577	8.4
515.22235	4.7
569.23737	6.4
629.26331	8.6
647.28516	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	647.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27354	2.6
53.03951	5.0
55.01876	7.6
55.05512	29.8
65.03938	3.0
67.05501	7.9
69.03425	3.9
69.07072	4.5
69.18094	7.5
69.18515	14.6
71.04996	2.1
74.09708	3.5
76.07661	2.2
77.03981	2.1
79.05499	9.8
81.03420	4.5
81.07056	7.2
83.04987	53.4
85.02917	4.6
91.05495	17.0
93.07063	14.4
95.04964	15.9
95.08626	9.9
97.06516	2.8
98.21551	3.4
103.05465	48.1
105.03398	18.3
105.04542	2.4
105.07030	31.5
107.04982	5.5
107.08608	11.5
109.06516	7.7
109.10145	3.6
111.04459	2.4
115.05435	5.6
117.07029	9.8
119.08600	21.6
121.06541	6.2
121.10159	4.7
123.08080	3.6
128.06236	6.3
129.06989	8.1
131.04939	100.0
131.08525	17.3
133.06520	14.8
133.10152	15.5
135.08061	9.7
137.05962	2.9
141.06987	4.0
142.07790	6.6
143.08554	17.9
145.06477	8.9
145.10199	10.1
147.08060	14.0
147.11702	3.7
149.09628	7.6
151.07574	2.9
153.07008	3.8
154.07706	2.3
155.08572	9.8
156.09370	9.3
157.10136	23.8
159.08073	12.6
159.11679	13.7
161.06023	10.8
161.09682	14.6
163.07532	5.7
163.11183	2.2
165.06993	5.1
165.09189	2.4
167.08627	6.0
169.10127	17.4
170.10913	8.9
171.08095	9.8
171.11705	37.8
173.09669	12.1
173.13210	3.1
175.07693	4.3
175.11150	2.9
177.09114	4.9
179.07036	5.6
179.08484	3.5
179.10692	2.8
180.09282	3.4
181.10129	9.3
183.08095	4.6
183.11716	28.7
184.08794	3.0
185.09634	11.9
185.13275	32.9
187.07578	4.9
187.11186	6.7
189.12718	3.0
191.10626	2.8
193.08617	2.6
193.10153	6.1
194.10677	2.5
195.11697	10.5
196.12358	2.1
197.09587	10.1
197.13281	7.8
198.10394	3.9
199.07558	3.4
199.11180	15.1
200.11836	2.4
201.09227	4.0
201.12808	7.9
203.14348	2.4
205.10193	4.8
205.12166	2.6
206.10945	4.7
207.08163	2.4
207.11725	7.8
209.09637	6.2
209.13246	7.4
211.11211	9.2
213.09152	7.0
213.12744	35.9
215.10754	4.2
215.14374	2.5
217.08499	4.8
217.10361	4.4
217.12234	3.7
218.10947	2.7
219.11681	5.1
220.12430	5.1
221.09682	3.7
221.13321	11.4
223.11278	4.6
223.14966	2.5
225.12788	5.7
227.10715	3.9
229.10265	4.4
229.12309	4.9
230.10962	4.4
231.11823	4.6
231.13853	5.2
232.12482	3.2
233.13350	5.9
234.14027	4.1
235.11218	4.2
235.14870	9.8
237.12762	3.7
237.16530	2.6
238.13513	2.3
239.14537	2.2
241.08585	3.9
241.12314	5.3
243.11647	6.1
243.13914	6.0
244.12434	5.5
245.13263	6.2
245.15436	15.4
246.10481	2.9
246.13995	4.0
247.11212	4.3
247.14851	6.8
248.11868	4.1
248.15466	2.2
249.12791	3.4
249.16393	5.7
249.61975	1.9
251.14413	2.9
252.47922	2.1
253.12202	2.9
255.13951	5.1
256.12286	4.4
257.08121	6.8
257.13306	5.2
258.14023	4.9
259.09293	2.9
259.14920	8.3
260.15643	3.5
261.12708	5.1
261.16486	5.7
265.12088	2.8
269.13040	2.5
270.14059	3.6
271.15021	4.7
272.15591	3.5
273.14990	12.4
273.16861	2.6
275.14243	2.6
275.17926	3.7
279.13705	2.8
285.16330	5.5
287.14459	2.6
287.18002	3.5
288.15387	2.9
289.15958	4.0
291.13132	2.8
291.16119	6.9
293.15353	3.3
293.18817	3.0
297.12769	3.0
298.13461	3.0
299.14456	2.7
301.10684	3.7
301.15921	4.6
303.17166	5.6
305.15366	3.9
314.16245	2.3
315.17130	3.2
317.15439	5.1
319.16977	3.2
321.18546	4.2
331.16867	7.3
333.18478	4.8
335.16464	4.3
341.15164	3.4
342.15958	2.5
343.16873	4.6
345.18314	3.7
347.16455	2.9
347.20309	3.2
349.17969	3.6
357.18845	2.3
359.16379	4.9
359.20084	12.9
361.17960	8.3
363.19608	3.7
367.19156	3.4
373.18057	7.0
375.19623	4.6
377.17523	8.9
377.21616	3.8
379.18900	4.1
381.20920	2.4
382.34042	2.1
387.19595	6.4
388.10046	2.2
391.19189	12.6
392.19662	2.7
393.20816	4.5
395.18549	4.3
397.20322	3.6
401.17438	5.3
405.20502	5.8
409.20084	8.3
411.21564	3.0
419.18658	13.5
421.20157	3.7
423.21579	6.8
433.20135	7.4
437.19711	17.7
439.21234	6.0
441.22559	3.4
451.21332	22.8
455.20795	9.0
469.22382	20.4
487.23331	8.2
497.21378	5.0
498.47565	2.7
515.22339	3.8
526.89319	2.4
529.24420	4.0
569.26678	3.1
619.82794	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	647.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36111	5.6
53.03949	12.5
55.01871	7.6
55.05517	64.0
67.05489	12.2
69.03434	9.5
69.07077	12.0
79.05479	14.9
81.03424	12.4
81.07068	16.2
83.04499	6.1
83.04987	100.0
91.05486	38.1
93.07043	36.3
95.04980	24.2
95.08610	14.6
96.36016	6.4
97.06517	9.4
103.05473	26.7
104.43524	6.3
105.03400	87.6
105.07059	48.0
107.04931	10.9
107.08595	23.2
109.06544	17.4
115.05453	8.2
116.10754	7.9
117.07023	25.1
119.04949	5.3
119.08587	60.5
121.06508	9.8
121.10151	11.6
128.06224	14.1
129.06978	15.1
131.04938	44.8
131.08542	29.9
133.06474	39.7
133.10130	34.6
135.08057	19.4
141.06966	10.2
142.07751	12.2
143.08603	32.9
145.06497	21.0
145.10150	32.3
147.08035	36.9
149.06004	7.7
149.09641	21.3
155.08563	27.5
156.09361	20.6
157.10135	52.7
159.08078	25.6
159.11740	15.8
161.06039	24.7
161.09639	23.5
162.90514	6.8
163.07643	6.8
163.11111	9.2
165.07018	11.5
167.08604	7.8
169.10153	39.7
170.10944	19.4
171.08092	24.8
171.11714	87.6
173.06035	7.4
173.09605	30.7
173.13310	14.2
175.07529	14.1
179.08595	11.0
180.09409	9.1
181.10194	20.6
183.08047	10.9
183.11710	67.0
184.08980	8.0
185.09669	24.8
185.13246	71.8
187.07512	9.3
187.11227	18.4
189.09079	6.6
191.10698	9.2
192.09442	6.8
193.10159	20.5
195.11716	27.0
196.12535	8.1
197.09644	18.4
197.13322	25.3
199.11201	42.9
200.12080	6.9
201.09042	10.5
201.12801	13.2
206.10965	7.8
207.11714	25.6
209.13316	15.6
211.11223	19.1
213.09200	11.2
213.12776	90.1
214.18085	53.3
215.10670	9.2
215.18307	33.3
217.10233	10.0
217.12183	9.7
218.10895	6.8
219.11766	16.0
221.13275	22.7
223.11307	9.0
225.12753	25.9
227.10750	7.8
229.12257	11.2
231.11859	11.9
231.13922	16.6
232.12543	9.9
233.13351	12.8
235.14935	14.2
237.12764	12.4
241.12288	19.5
243.11736	11.7
243.13901	19.9
244.12488	9.2
245.13382	9.1
245.15521	34.6
246.13986	10.5
247.11235	14.2
247.14891	15.9
249.12975	9.0
249.16283	10.3
251.14304	9.9
255.14055	11.9
256.12671	8.5
257.13373	13.7
258.14090	8.1
259.14764	18.2
260.12329	6.9
261.12790	11.5
263.14178	6.5
270.13818	6.3
271.14761	20.3
273.14963	22.9
275.14270	6.2
275.17917	7.3
277.15872	11.4
279.14035	8.3
283.14658	7.9
285.16473	11.7
287.14294	13.5
287.17706	6.5
289.15912	6.7
291.16031	17.6
295.16934	8.3
298.13345	9.0
299.14377	7.8
301.16101	8.4
303.17392	11.1
313.15872	11.1
315.17465	17.6
317.15308	9.4
317.19034	11.9
319.16833	13.0
321.18591	11.5
327.17584	8.2
329.15189	9.5
331.17130	10.7
333.18491	19.5
341.15173	6.5
345.18607	11.1
349.17856	10.0
355.17105	8.0
357.18527	36.2
359.16339	8.0
359.20227	13.8
363.19611	9.1
367.18954	6.8
369.18536	21.6
373.17929	13.3
375.19635	11.8
377.17328	11.8
377.21426	10.6
387.19504	44.2
391.19043	21.1
393.20554	8.4
395.18533	12.9
401.17572	16.2
405.20795	27.9
409.20132	17.8
411.21863	7.5
415.18958	7.3
419.18607	26.7
433.19958	17.6
437.19470	36.9
439.21274	16.4
451.21320	50.3
455.20798	16.9
465.22702	8.1
469.22311	38.0
487.23203	15.9
497.21649	11.0
511.22760	10.2
515.22766	14.0
529.24121	7.1
543.33374	10.1
635.02295	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	647.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	15.1
55.01876	6.9
55.05515	63.7
56.42366	2.3
57.39603	2.9
65.03924	3.3
67.05515	6.6
69.03419	7.3
69.07052	5.2
79.05486	13.2
81.03429	3.6
81.07053	9.6
81.13340	2.7
81.25987	2.6
83.04987	100.0
91.05489	20.6
93.07053	11.5
95.04986	14.9
95.08603	7.2
97.06538	5.7
103.05465	34.3
105.03400	68.6
105.07034	25.3
107.04953	7.5
107.08607	10.4
109.06519	8.6
112.98856	2.5
113.06017	2.8
115.05430	6.4
117.07038	8.4
119.04929	5.6
119.08570	22.4
121.06501	11.3
121.10185	5.5
123.04429	4.2
125.06004	6.2
128.06241	5.6
129.07004	5.7
131.04941	57.0
131.08591	19.8
133.06482	18.1
133.10147	14.3
135.04381	4.1
135.08081	4.5
137.05995	5.7
141.07024	3.2
142.07780	4.7
143.08580	20.0
145.06506	10.7
145.10146	10.8
147.08060	14.1
149.06024	17.9
149.09590	6.2
151.07594	3.1
153.05530	6.3
155.08597	15.0
156.09380	13.0
157.10112	28.5
159.08110	13.9
159.11702	12.7
161.06020	17.9
161.09645	13.0
163.07565	6.9
163.11156	6.7
165.06996	5.9
167.07080	6.3
167.08501	4.6
168.09396	3.2
169.06499	3.8
169.10109	18.5
170.10927	9.1
171.08076	14.4
171.11696	40.8
173.09663	18.5
173.13307	5.6
175.07489	5.3
175.11145	4.2
177.05501	9.5
177.09129	8.3
179.07048	4.2
179.08563	4.9
180.09395	4.1
181.10153	9.4
182.10889	4.4
183.08081	6.8
183.11705	39.4
184.12434	3.9
185.09669	13.3
185.13245	29.8
187.07565	4.3
187.11194	8.8
189.09148	4.9
191.10698	3.7
193.10149	8.1
194.10924	5.0
195.06476	6.2
195.08093	3.8
195.11707	13.2
197.09654	7.9
197.13301	32.7
198.10472	3.5
199.07532	4.8
199.11182	14.8
200.11867	3.0
201.09087	5.1
201.12764	9.3
203.08685	3.7
203.10635	4.6
205.08492	4.5
205.10223	4.5
205.12222	3.4
206.10873	5.1
207.11662	8.8
209.09631	4.4
209.13319	8.1
211.11180	11.6
213.09230	5.4
213.12749	34.5
215.14365	11.0
217.08514	4.5
217.10393	3.6
217.12251	4.0
219.11818	3.9
221.13254	7.9
223.11179	6.2
225.09204	3.6
225.12744	16.5
227.10687	4.2
229.10199	4.7
229.12244	6.5
231.11887	5.0
231.13875	7.1
233.13275	9.6
235.11278	6.3
235.14832	6.3
237.12811	6.6
239.10803	2.9
239.14290	3.6
241.12315	6.1
243.11671	5.7
243.13814	14.7
245.13219	7.8
245.15442	10.0
246.14148	3.0
247.14954	5.9
249.12772	3.3
251.14360	5.5
255.11513	4.2
255.13887	6.9
256.12408	2.8
257.15442	8.0
259.15079	4.0
263.14420	4.3
265.12308	3.4
267.13892	3.4
269.12997	3.6
271.14682	6.0
273.12259	3.6
273.14969	9.1
275.14291	6.7
275.17892	4.0
277.12259	3.0
279.13950	3.7
284.15491	4.1
285.16382	4.0
286.13437	3.5
287.14337	4.2
288.15057	4.2
289.12192	3.2
289.15640	4.7
291.16122	3.8
297.15073	4.1
299.14334	3.6
299.17776	4.3
301.15781	3.1
303.17426	8.7
313.15933	5.6
315.16492	3.4
316.88666	2.9
317.15338	6.2
317.18854	4.4
319.16742	4.2
327.17563	3.3
329.15326	4.2
331.16885	8.2
333.14719	4.3
333.18573	3.0
335.20227	3.5
345.18524	10.3
347.16254	3.0
349.17740	4.2
357.18423	3.7
359.16254	5.4
359.20227	3.8
361.17889	5.2
363.19620	7.0
369.18558	2.5
373.17874	11.1
377.17282	5.9
377.21429	4.9
387.19537	7.7
391.19046	10.9
395.18405	3.2
401.17477	7.6
405.20541	14.0
409.20114	7.8
419.18564	9.1
423.21750	5.0
433.20026	7.9
437.19406	14.1
451.21500	12.9
455.20740	6.3
465.22647	6.0
469.22211	10.9
475.23343	9.9
479.21057	4.4
487.23148	4.1
497.21426	6.4
511.23114	3.1
515.23163	3.8
529.24463	5.1
555.25989	4.4
569.26929	3.4
597.26721	11.5
611.28467	27.6
629.28790	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	647.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.5
55.01867	4.2
55.05271	4.8
55.05513	68.9
60.56474	2.7
65.06944	2.9
67.05486	11.8
69.03429	7.2
69.07053	8.6
70.68732	9.8
73.02980	3.2
75.04452	3.1
78.94619	3.4
79.05489	18.1
81.03416	6.1
81.07049	21.2
81.38786	2.8
83.04986	100.0
85.02918	4.0
86.09707	4.0
91.05478	27.2
93.07030	24.5
95.04952	12.0
95.08622	18.7
97.02871	3.9
97.06496	4.3
98.20884	3.6
103.03893	2.8
103.05452	8.8
105.03390	5.4
105.07024	30.2
107.04958	7.2
107.08606	19.5
108.14243	3.1
109.06503	10.1
109.10120	4.3
115.05426	6.6
117.06996	11.8
117.47723	2.8
119.04910	8.1
119.08593	38.6
121.06505	12.8
121.10121	10.2
123.04406	3.7
123.08050	6.1
128.06229	7.3
129.06993	9.1
131.04898	12.0
131.08565	27.4
133.06488	18.6
133.10144	27.6
135.08054	16.2
137.05939	6.2
137.09589	3.6
141.07016	6.5
142.01439	2.6
142.07735	11.2
143.08557	30.0
145.06456	8.6
145.10135	21.9
147.04456	4.1
147.08043	18.2
147.11697	6.5
149.05963	7.1
149.09595	10.5
151.07538	5.0
153.07007	5.7
155.08531	12.6
156.09325	14.2
157.10138	40.9
159.08083	17.3
159.11708	15.2
161.05939	16.7
161.09666	15.2
161.13347	3.0
163.07544	7.5
165.06964	6.1
165.09143	5.0
166.07619	3.4
167.08568	7.4
168.09413	6.4
169.10161	22.9
170.10870	8.2
171.08073	16.3
171.11690	53.1
173.09598	19.8
173.13210	9.9
175.07516	6.8
177.09192	4.5
179.07036	6.5
179.08533	5.7
179.10625	3.5
180.09337	4.5
181.10114	6.6
183.08041	6.9
183.11699	34.0
184.08813	3.6
184.12436	3.4
185.09637	18.1
185.13258	37.2
187.07509	5.1
187.11136	14.6
187.14940	4.5
189.09097	5.8
191.06952	4.1
191.10684	5.0
193.08580	6.4
193.10138	10.7
195.11682	15.9
197.09575	9.8
197.11522	3.2
197.13223	15.0
199.11198	20.5
201.09047	8.1
201.12779	7.0
203.10590	4.0
205.08444	3.7
205.10216	4.6
206.10904	5.7
207.11653	10.5
209.09628	8.2
209.13225	11.8
211.07584	4.3
211.11168	10.8
211.14792	4.3
213.09140	5.0
213.12688	30.4
215.10638	8.6
215.14221	4.8
217.10298	5.4
217.12221	9.7
218.10925	3.8
219.09866	4.5
219.11705	10.2
220.12469	6.8
221.09579	3.1
221.13326	16.2
222.13843	5.0
223.11147	13.7
223.14717	5.0
224.11818	3.8
225.09189	4.9
225.12535	6.1
227.10741	4.2
228.11012	3.2
229.10179	5.8
229.12210	12.3
230.10721	2.9
231.11685	10.3
231.13818	18.5
232.12410	7.6
233.09726	3.5
233.13371	15.7
234.10320	4.2
234.14032	4.4
235.11270	5.4
235.14775	12.7
236.11661	3.8
236.15553	3.5
237.12717	8.2
239.10588	3.8
241.12259	11.9
243.13835	6.0
244.12457	8.0
245.13348	16.1
245.15372	5.4
246.14029	10.1
247.11156	7.3
247.14915	6.0
248.11841	3.6
249.12674	9.6
249.16492	7.2
251.14406	6.5
251.17780	3.9
253.12051	3.9
255.13919	6.0
256.12540	8.2
257.13434	5.2
258.14017	4.6
259.10989	5.9
259.13297	12.9
259.15228	5.4
260.11914	3.9
260.15521	9.1
261.12628	8.3
261.16574	17.7
263.10797	4.2
263.14282	7.5
263.17990	5.9
265.12042	3.7
267.13785	3.9
269.13168	5.0
270.14008	4.5
271.10782	3.9
271.14886	7.1
272.11862	4.4
272.15555	3.4
273.12650	6.8
273.16400	5.9
274.13339	4.8
275.14542	6.5
275.17834	8.2
277.15961	5.3
278.16458	3.3
279.13727	5.4
281.15359	3.7
285.12619	6.3
285.16190	3.3
286.13422	3.7
287.13986	6.0
288.15112	3.9
289.05264	4.3
289.15982	14.3
291.13840	4.8
291.17389	10.1
293.15466	4.0
293.18573	3.6
295.13437	3.5
295.17114	3.4
297.12637	4.5
298.13422	5.8
299.14447	6.0
300.15146	4.4
301.12326	4.3
301.15842	8.4
302.16635	3.8
303.14041	4.1
303.17297	17.4
305.15359	8.3
307.16867	9.1
309.18573	7.5
313.15753	8.9
317.15305	12.0
319.16788	11.4
320.17642	5.2
321.14957	6.2
321.18402	18.2
327.17346	5.5
329.15137	6.3
331.16849	12.2
333.18549	3.4
335.16464	10.1
337.18219	6.9
339.19479	7.9
341.15091	3.3
345.18393	8.5
347.16278	9.2
347.80652	3.6
349.18005	19.0
351.19583	5.3
359.16275	15.4
363.19516	7.0
365.17368	4.1
367.19086	13.7
373.17944	15.8
377.17374	29.3
379.19196	6.4
381.20294	3.8
391.19046	24.2
395.18469	21.2
399.10611	3.9
401.17221	7.8
407.18488	6.5
409.20160	16.2
413.19492	8.5
419.18463	21.9
423.21558	10.9
433.19809	8.6
437.19589	30.5
451.21219	22.2
455.20535	22.6
469.22131	19.4
473.21808	10.0
487.23138	12.2
497.21576	11.3
515.22522	9.0
525.26971	3.0
529.24237	3.3
547.24817	4.7
551.25439	5.5
555.25775	9.8
573.26941	7.0
647.32843	21.6
655.05261	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	647.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.3
55.01896	1.5
55.05517	27.1
67.05506	4.8
69.03423	2.4
69.07068	1.7
77.03931	1.8
79.05517	7.0
81.03426	1.8
81.07053	6.3
83.04989	34.9
85.02920	1.7
87.52695	1.1
88.88234	1.3
88.94057	1.2
91.05489	14.4
93.07039	8.5
95.04996	7.4
95.08620	9.3
97.06524	2.1
103.05479	47.5
105.03407	7.9
105.04525	1.2
105.07037	17.6
107.04976	4.8
107.08630	7.0
109.02872	1.2
109.06541	5.1
109.10178	2.3
111.04486	1.2
115.03938	1.3
115.05468	4.5
115.21514	1.2
117.07021	8.3
119.04964	1.8
119.08584	16.0
121.06529	5.9
121.10203	3.4
123.04384	1.8
123.08110	3.4
128.06232	2.7
129.07051	4.1
131.04941	100.0
131.08560	9.8
133.06508	10.7
133.10133	12.2
135.04417	1.8
135.08028	7.0
137.05995	2.5
141.07037	3.1
142.07791	5.3
143.08582	10.0
145.06485	6.2
145.10141	11.0
147.08063	9.3
147.11708	3.0
149.06003	2.0
149.09647	5.4
153.07014	1.3
155.08586	5.8
156.09354	7.9
157.06560	2.6
157.10159	16.8
159.08078	9.4
159.11710	7.8
161.06010	12.7
161.09639	8.3
163.07584	7.5
163.11296	1.9
165.05672	1.5
165.07033	3.6
166.07758	1.6
167.08559	3.6
168.09373	2.5
169.10141	13.3
170.10881	6.9
171.08054	7.6
171.11716	27.3
172.08733	1.8
173.09616	10.0
173.13292	4.1
175.07567	6.2
175.11237	2.4
177.05518	3.0
177.09164	3.6
179.07063	1.9
179.08635	3.5
179.10597	1.3
180.09268	2.7
181.10135	5.6
182.10886	2.1
183.08035	3.3
183.11708	22.4
184.08862	2.5
184.12440	1.4
185.09677	10.4
185.13268	17.5
187.07562	3.6
187.11230	6.3
189.05511	2.7
189.09116	3.0
191.07047	2.5
191.08633	2.9
191.10677	1.9
192.09431	1.9
193.10184	3.7
194.10905	1.8
195.08112	2.5
195.11703	7.3
196.08868	2.0
196.12592	1.7
196.78621	1.3
197.09589	7.2
197.13258	8.2
198.10487	2.0
199.07559	1.9
199.11217	10.6
200.12010	1.9
201.09062	2.7
201.12735	5.5
203.10704	1.6
203.14301	1.7
205.08521	2.2
205.10222	3.2
206.10992	4.0
207.08080	1.7
207.11751	7.4
208.12456	1.8
209.09689	3.2
209.13298	5.1
211.11195	5.8
213.09143	3.8
213.12761	22.1
215.10693	4.1
215.14273	1.7
217.08369	1.9
217.10172	3.6
217.12239	3.0
219.11794	6.3
220.12421	4.2
221.13225	8.7
222.13936	2.1
223.11235	5.6
223.14828	3.0
224.11972	1.4
225.09250	2.4
225.12782	3.2
227.10774	3.0
229.10341	2.7
229.12160	3.6
230.10889	3.1
231.11697	7.3
231.13844	3.9
232.12488	5.3
233.09613	1.9
233.13416	7.6
234.14133	2.3
235.11299	3.0
235.14847	4.0
237.12790	2.6
237.16417	2.3
239.14215	1.4
241.12338	5.7
243.11665	3.4
243.13898	5.1
244.12453	5.1
245.09682	1.6
245.13252	4.0
245.15509	5.7
246.14046	4.8
247.14951	6.1
248.11902	1.5
248.15688	1.6
249.12863	2.9
249.16345	3.9
251.10672	2.0
251.14413	3.6
251.18050	1.8
253.12302	1.6
255.13869	2.7
256.12555	1.8
257.08041	6.6
258.14120	1.6
259.13150	3.7
259.14975	4.3
260.11862	2.3
260.15704	2.9
261.12787	3.6
261.16516	7.0
263.10550	1.4
263.14288	3.0
263.17978	2.5
265.15854	2.4
268.08792	1.3
269.13239	2.2
270.14059	3.2
271.10947	1.5
271.14886	2.8
273.14667	6.3
274.13486	3.3
275.14200	3.8
275.17978	4.5
277.12177	1.7
277.15918	2.6
279.13934	1.9
279.17493	3.4
283.11203	2.9
283.14676	2.5
284.12289	2.3
285.16525	1.7
287.14297	2.3
287.17950	1.6
288.15146	2.0
289.15839	3.7
291.17819	1.3
293.15381	2.1
295.13571	1.7
299.14310	1.8
301.15906	4.8
303.14371	1.6
303.17514	5.3
305.15289	2.8
307.17010	2.3
313.15634	2.6
317.15393	3.7
319.12234	1.5
319.16974	3.1
321.18509	6.3
323.20157	1.8
325.21591	2.1
327.17441	2.4
329.15323	1.8
331.13339	2.5
331.16928	5.8
333.18518	3.2
335.16464	2.4
335.20157	3.8
337.18066	2.4
341.15469	3.0
343.17032	3.7
345.18552	4.0
347.16235	1.6
347.20123	2.8
349.18021	4.0
351.19427	2.5
353.21182	3.2
355.16589	2.0
357.18472	3.2
359.16333	4.7
359.20148	2.0
361.18036	3.0
363.19601	4.3
367.18942	1.6
373.17819	6.9
375.19901	6.1
377.17264	6.7
379.19409	1.9
385.07718	1.4
387.19495	3.3
389.17404	1.7
391.19101	9.7
393.20648	3.1
395.18393	3.3
401.17548	2.7
403.19247	6.2
405.20694	5.8
409.20056	7.9
411.22321	2.9
415.19241	2.4
419.18381	5.5
421.20184	8.8
423.21640	4.0
427.21210	1.8
433.20050	6.1
437.19666	4.7
439.21317	3.6
451.21567	10.6
463.17273	2.2
469.22296	8.5
481.18405	2.7
487.22906	2.8
511.23050	1.9
529.24353	2.2
572.40021	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33068	2.0
53.03948	5.7
55.01884	3.3
55.05513	66.0
63.76825	2.0
67.05501	6.4
69.03440	5.3
69.07057	5.4
70.05572	4.0
70.05981	7.0
71.04997	2.6
79.05492	21.0
81.03406	2.7
81.07084	11.1
83.04987	100.0
85.02914	4.6
91.05482	22.6
93.07038	21.0
95.04969	10.3
95.08627	16.6
97.02891	2.7
97.06538	5.7
103.03936	2.9
103.05466	8.3
105.07043	33.1
107.04977	9.6
107.08583	17.9
109.06507	8.2
109.10117	3.1
115.05470	5.4
117.07010	7.9
119.04946	9.9
119.08582	28.9
121.06507	8.9
121.10151	9.0
123.04465	3.2
123.08109	5.9
128.06213	5.7
129.06999	9.0
129.45238	2.4
131.04958	6.5
131.08588	22.5
133.06523	15.8
133.10127	17.4
135.04456	3.5
135.08049	13.9
137.05992	5.6
137.09592	2.9
141.07019	6.1
142.07796	8.7
143.08588	24.1
145.06485	11.3
145.10146	19.4
147.04485	2.8
147.08073	13.5
147.11699	4.4
149.05975	4.5
149.09592	11.0
151.07605	3.1
153.06987	6.3
155.08508	12.9
156.09344	13.3
157.06476	4.1
157.10127	33.8
158.07249	4.7
159.08031	17.1
159.11739	11.1
160.08662	2.3
161.06032	16.3
161.09613	16.6
163.07556	9.2
163.11180	2.7
165.06999	4.0
165.09109	4.1
167.08620	5.6
168.09315	5.1
169.10138	21.8
170.10902	13.5
171.08075	14.0
171.11705	47.2
173.06000	3.3
173.09662	21.9
173.13318	5.8
175.07542	7.1
175.11212	6.0
177.05461	3.4
177.09116	6.6
178.07861	3.6
179.07079	5.0
179.08559	5.6
179.10667	2.8
180.09332	3.2
181.10086	6.1
182.10925	5.0
183.08113	6.6
183.11714	31.5
183.13254	3.7
184.08873	2.8
184.12352	2.2
185.09674	15.4
185.13251	32.9
187.07559	7.8
187.11162	13.6
189.05518	4.0
189.09135	6.6
191.07018	4.7
191.08717	3.0
191.10677	6.8
192.09352	5.3
193.08595	5.1
193.10155	14.2
194.10931	7.3
195.11678	14.5
196.12363	2.4
197.09628	9.9
197.13219	10.7
198.10442	4.7
199.07489	3.2
199.11218	19.2
200.11906	4.8
201.09128	7.6
201.12732	9.3
203.08794	2.8
203.10648	5.3
205.10147	6.5
205.12067	2.8
206.10876	7.1
207.11800	15.9
208.12447	5.0
209.09673	7.4
209.13272	6.2
210.10356	2.9
211.07623	4.9
211.11194	9.9
211.14871	4.0
213.09102	5.2
213.12747	25.5
215.08838	3.0
215.10739	10.6
215.14301	4.3
217.08585	7.0
217.10403	3.2
217.12244	8.0
218.10823	2.9
219.09956	3.3
219.11755	9.0
220.12425	7.3
221.09688	3.4
221.13319	12.6
222.10568	2.7
222.13878	4.3
223.11206	8.1
223.14767	6.7
225.09047	6.7
225.12782	6.3
226.09544	2.2
227.10657	5.1
229.10240	5.1
229.12141	12.3
230.10934	5.6
231.09877	5.0
231.11748	7.6
231.13768	22.3
232.12468	6.4
233.09659	5.0
233.13269	9.2
234.10480	2.9
234.13980	6.6
235.11304	4.5
235.14841	10.1
236.11914	3.3
237.12851	7.5
237.16382	4.2
239.10664	3.4
239.14333	3.5
241.12318	11.1
242.10811	3.7
243.09846	3.6
243.11862	4.9
243.13959	6.4
244.12430	10.8
245.13306	15.2
245.15472	4.0
246.14056	9.7
247.11143	5.7
247.15010	11.1
248.11798	3.5
248.15646	2.4
249.12733	5.5
249.16603	12.6
251.10873	2.6
251.14192	4.9
251.17853	4.1
253.12262	3.3
255.11655	2.9
255.13965	3.3
256.12494	3.5
257.13458	6.4
258.14056	7.9
259.13135	9.0
259.15054	8.2
260.11884	6.9
260.15509	5.0
261.12808	5.0
261.16498	13.3
262.13638	4.2
262.17105	3.3
263.10620	3.6
263.14307	4.6
263.18063	4.1
265.12262	3.9
270.13904	3.1
271.14719	4.0
272.15536	4.8
273.12720	5.6
273.16440	7.0
274.13571	3.6
275.14307	7.0
275.17941	9.3
277.16034	5.2
279.13992	3.8
279.17365	4.2
285.16345	4.2
287.14334	6.4
289.12579	2.6
289.15875	11.0
291.17441	10.4
293.15347	4.5
293.18890	5.9
299.14178	4.1
300.15100	3.2
301.15872	6.6
302.16641	3.6
303.14084	5.0
303.17441	11.5
305.15363	6.2
307.16879	7.2
309.18814	4.8
311.20047	3.7
312.15024	2.6
313.15833	6.7
317.15286	7.7
317.18845	4.2
318.15973	3.4
319.17038	11.2
320.17694	2.6
321.15231	2.6
321.18564	14.5
327.17435	3.9
329.14963	3.2
331.16937	15.4
333.18500	5.0
335.16534	4.5
335.20123	4.0
337.18011	12.2
339.19437	6.0
341.14996	5.5
343.16815	2.8
345.14767	2.5
345.18454	9.0
347.16428	5.6
349.17935	14.5
355.19180	4.8
359.16504	14.5
361.17987	4.2
363.19601	7.8
367.18970	7.9
373.18124	16.2
377.17416	24.2
379.18973	3.5
381.20541	7.3
391.19043	24.3
393.20981	2.8
395.18442	26.0
397.19781	2.9
401.17432	13.0
405.20703	4.6
407.18387	4.2
409.20267	15.6
412.00818	2.9
413.19351	2.7
419.18597	19.8
423.21655	6.3
427.21255	3.5
433.20239	11.1
437.19611	33.4
451.21359	21.6
455.20697	21.7
469.22360	22.4
473.21771	8.8
479.20688	4.8
487.23328	15.6
497.21658	5.4
511.22888	3.5
515.22705	7.9
525.20270	2.4
529.24207	7.2
537.24982	3.7
547.24939	6.0
555.25940	12.6
569.26733	3.8
573.26971	4.0
629.30383	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	647.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.3
51.07087	0.9
53.03938	4.7
54.37022	0.9
54.42915	1.1
55.01860	3.5
55.05272	1.9
55.05516	29.0
57.07033	1.2
67.05502	5.7
69.03419	3.4
69.07063	2.9
69.43024	9.0
71.05015	1.5
73.45480	1.2
77.03909	2.5
79.05492	11.3
81.03406	4.0
81.07055	11.7
83.01377	1.3
83.04484	2.5
83.04984	52.3
85.02905	1.6
91.05482	16.4
93.07047	13.2
95.04974	18.8
95.08624	10.2
97.06484	2.6
98.21476	1.7
103.05471	43.7
105.03397	12.3
105.04499	1.4
105.06384	2.0
105.07038	26.8
107.04945	7.0
107.08592	9.7
109.06511	5.2
109.10160	2.5
111.04406	2.0
111.08044	1.1
115.05454	5.1
116.06241	1.2
117.07023	8.0
119.04946	3.9
119.08590	20.8
121.06495	5.7
121.10150	4.5
123.04461	2.4
123.08054	3.8
125.05983	2.6
128.06216	6.0
129.07005	9.2
130.07869	1.6
131.04935	100.0
131.08574	14.0
133.06508	18.5
133.10132	13.0
135.04436	2.0
135.08080	9.9
137.05956	3.0
141.06969	5.1
142.07806	8.0
143.08554	15.5
144.09300	1.5
145.06517	10.8
145.10121	12.4
147.04367	2.1
147.08047	13.3
147.11662	1.8
149.05994	6.4
149.09596	5.8
151.07532	3.7
153.06963	2.5
154.07806	3.2
155.08595	9.8
156.09361	9.4
157.06488	2.3
157.10141	21.5
158.10933	1.4
159.04451	2.0
159.08054	12.4
159.11717	8.4
161.05998	16.9
161.09660	8.1
163.07553	5.6
163.11136	3.4
165.06995	5.3
165.09123	2.2
166.07771	2.4
167.08640	5.8
168.09334	1.8
169.06500	3.3
169.10112	15.9
170.07198	1.3
170.10954	9.1
171.08038	12.3
171.11699	32.2
172.08775	3.4
173.05988	3.6
173.09622	11.6
173.13255	4.6
175.07565	5.4
175.11220	2.4
177.05516	2.8
177.09099	4.8
179.07027	4.4
179.08556	4.9
180.09309	3.2
181.10135	6.9
182.07288	3.2
182.10844	2.7
183.08026	6.2
183.11700	22.7
184.08871	1.8
184.12434	1.9
185.06044	1.4
185.09619	10.1
185.13245	21.8
186.10399	2.5
187.03888	1.1
187.07550	5.2
187.11203	9.1
187.14545	1.1
189.05502	1.7
189.09109	4.4
189.12845	1.8
190.07729	1.9
191.07074	1.5
191.10687	1.9
192.09297	2.9
193.08664	1.8
193.10139	8.1
193.11734	1.5
194.10944	3.4
195.08084	2.5
195.11716	11.6
196.08920	2.2
196.12424	2.5
197.06006	1.9
197.09607	10.7
197.13239	9.6
198.10423	3.8
199.07590	8.1
199.11198	16.1
199.43610	1.2
200.11967	2.4
201.09111	4.0
201.12727	7.2
203.06961	1.8
203.08691	2.1
203.10654	2.9
204.09192	1.3
205.08533	2.8
205.10184	3.7
205.12007	1.3
206.10892	3.6
207.11707	11.3
208.08884	1.6
208.12523	3.1
209.09616	5.1
209.13269	7.4
210.10359	1.2
211.07541	3.2
211.11156	9.1
211.14706	2.0
212.11937	2.2
213.09203	8.2
213.12749	27.1
215.06943	2.0
215.10638	6.3
215.14330	3.4
216.09415	1.8
217.08588	4.3
217.12227	2.9
218.10918	2.9
219.08205	1.9
219.11769	6.5
220.08820	1.5
220.12373	5.8
221.09639	3.1
221.13239	10.6
222.14084	2.8
223.07533	2.2
223.11182	7.3
223.14854	5.0
224.11922	2.3
225.05452	3.2
225.09113	7.2
225.12743	4.0
227.07013	2.8
227.10683	3.4
229.10165	2.8
229.12241	5.6
230.10942	3.8
231.11687	5.3
231.13824	4.7
232.12457	4.3
233.09599	3.2
233.13446	7.7
234.10464	2.9
234.14024	4.6
235.07610	1.5
235.11179	4.8
235.14822	8.5
236.11935	2.1
237.09024	1.4
237.12856	6.5
237.16333	2.5
239.10721	2.2
239.14313	2.5
241.08536	6.9
241.12263	4.5
243.11676	3.7
243.13663	6.1
244.12607	6.4
245.07964	1.5
245.13223	8.0
245.15065	7.9
246.10313	1.9
246.14069	6.4
247.09236	1.5
247.11362	2.2
247.15004	7.0
248.11864	2.3
248.15790	2.4
249.12822	6.5
249.16402	5.3
250.13544	1.7
251.10645	1.6
251.14337	3.7
251.17986	4.0
253.12256	2.7
255.11613	1.8
255.13788	4.1
256.12567	2.6
257.08023	17.0
257.13443	3.2
257.15524	2.8
258.10611	1.4
258.13965	3.9
259.09286	9.1
259.15186	6.6
260.11954	2.0
260.15579	5.1
261.12686	4.7
261.16544	10.1
262.13568	1.6
263.14212	3.1
263.17969	2.4
265.12473	2.2
265.15869	2.6
267.09879	1.5
267.13889	2.3
268.12531	1.3
269.13260	3.4
270.10208	1.3
270.14001	2.7
271.11075	1.5
271.14911	2.6
272.11865	1.4
273.14478	5.6
273.16461	4.0
274.13470	3.3
275.10858	1.5
275.14325	4.1
275.18124	6.7
276.11414	2.0
276.15021	2.3
277.12292	1.7
277.15768	5.3
278.16544	1.4
279.13855	1.7
279.17352	3.3
281.15454	1.8
283.14734	1.3
284.12012	1.6
285.12399	2.0
285.16324	2.9
286.13480	3.0
287.10965	1.5
287.14252	6.2
287.17572	2.3
288.15179	1.9
289.12408	2.1
289.15829	7.5
290.16565	2.0
291.17319	6.7
293.18802	2.4
295.16885	3.6
298.13263	2.7
299.14197	3.8
299.17645	2.4
300.15021	1.6
301.10550	9.8
301.15848	5.2
302.13193	1.3
302.16653	2.6
303.12650	4.2
303.17245	8.9
304.14725	1.5
305.15250	3.1
305.18719	1.3
307.16901	4.2
312.15131	2.0
313.12271	2.4
313.15393	5.4
315.13953	2.2
315.17227	2.9
317.15305	4.7
317.18954	2.7
318.16254	2.0
319.11829	3.5
319.16931	5.7
320.17542	1.8
321.15082	1.8
321.18591	7.1
323.19925	2.2
326.13055	1.8
327.13736	2.4
327.17355	3.1
329.15167	5.0
330.16025	1.4
331.13388	2.0
331.16788	9.0
333.18359	4.3
334.19327	1.7
335.16367	2.7
335.19995	4.7
337.18091	3.3
339.19574	1.6
341.15277	3.1
343.12863	1.8
343.16791	2.3
345.18533	7.7
347.16235	4.6
349.18069	8.7
351.19519	4.5
353.21155	3.0
355.16846	4.0
357.14420	1.9
357.18500	1.5
359.16431	7.6
361.17947	2.7
363.19510	4.8
365.17465	1.8
367.18881	2.3
371.21979	1.9
373.18021	12.5
374.18723	1.4
375.15814	2.2
377.17407	9.5
377.21201	1.4
379.19061	2.7
381.20422	3.9
383.16455	1.6
385.14270	1.7
387.19595	2.4
389.17615	2.9
391.19122	13.2
393.20724	2.3
395.18445	4.5
401.17465	5.1
403.19138	2.1
405.20477	6.1
407.18698	3.5
409.20142	8.2
411.21616	4.6
413.23132	1.4
415.18805	3.3
419.18732	9.2
421.15701	2.0
421.20636	2.3
423.21442	5.2
425.19495	1.3
427.21088	3.7
433.20444	6.8
437.19858	11.7
439.21512	1.7
441.22739	2.1
449.15897	7.3
451.21164	17.7
455.20966	7.4
463.17151	5.4
469.22354	14.4
481.18558	8.0
487.23254	5.6
491.23984	1.4
493.22348	1.8
497.21707	3.5
499.19794	5.7
511.22748	1.7
515.22992	1.6
569.26990	2.1
629.22864	5.0
647.24921	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	647.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.2
51.02380	2.7
51.11041	1.2
53.03951	8.5
55.01881	6.5
55.05511	1.5
62.29813	1.1
62.60119	1.1
67.05502	2.3
69.03425	1.8
69.07064	1.7
77.03916	2.5
79.05486	3.6
81.03434	4.9
81.07069	1.5
83.04974	1.1
91.05485	14.1
93.07030	3.5
95.04976	9.9
95.08558	1.0
103.05488	5.6
105.03400	100.0
105.04513	3.6
105.07033	10.4
107.04957	3.5
107.08581	2.5
109.06543	2.7
115.05452	5.5
116.06258	1.1
117.07051	8.6
119.08580	14.0
121.06506	2.5
121.10146	3.2
121.27168	1.0
124.83155	1.3
128.06203	4.4
129.07011	10.0
130.07785	1.7
131.04938	5.6
131.08574	9.0
132.05606	1.4
133.06488	3.2
133.10146	9.1
135.08028	3.7
141.06985	2.7
142.07785	5.3
143.08556	8.6
145.06496	9.1
145.10124	8.2
147.06934	2.0
147.08058	34.0
147.11673	1.4
149.09579	2.6
153.07021	1.4
155.08560	5.3
156.09351	7.3
157.08923	1.9
157.10123	17.2
159.08067	16.4
159.11705	3.7
161.05963	1.5
161.09625	16.5
162.83955	1.1
163.07541	2.7
163.11150	1.2
165.05501	1.1
165.06950	1.9
167.08513	1.5
169.06419	1.1
169.10130	6.1
170.10872	3.7
171.08067	7.5
171.10252	1.8
171.11694	24.4
173.05956	3.1
173.09610	9.7
175.07590	8.2
175.11119	1.4
177.09058	1.5
179.08563	3.1
181.10118	2.8
182.10858	1.4
183.08080	1.3
183.11703	10.7
184.08754	2.2
185.09665	7.6
185.13293	13.0
187.07465	1.3
187.11165	3.3
189.09122	2.3
191.08688	1.7
191.10664	2.7
193.10133	3.0
193.12120	0.9
195.08034	2.2
195.11644	4.0
197.09613	4.6
197.13280	3.5
198.10466	1.6
199.11183	8.7
200.11922	2.1
201.09004	2.7
201.12663	1.9
203.10513	1.5
205.10155	1.8
206.10941	1.6
207.11671	2.6
208.12378	1.1
209.09639	2.4
211.11171	3.7
213.09140	2.1
213.12778	12.1
215.10701	3.8
217.08481	2.3
217.10324	1.9
217.12166	2.6
218.10904	1.2
219.11818	1.5
220.12422	1.2
221.09554	1.7
221.13278	3.0
222.14091	1.0
223.11153	3.5
223.14778	1.5
224.24062	1.0
225.09064	1.2
225.12827	1.5
227.10663	2.4
229.10068	2.1
229.12257	4.1
230.10786	1.4
231.11717	2.5
231.13760	17.8
233.13235	2.0
235.11244	1.5
237.12779	2.3
241.10001	1.2
241.12219	4.7
243.11697	2.5
244.12463	2.6
245.11650	3.7
245.15442	1.4
246.13834	1.1
247.14867	1.8
249.12744	2.4
251.10683	1.8
251.14355	1.3
255.11630	2.3
256.12491	1.1
257.13354	1.5
258.14105	1.8
259.11304	1.0
259.13232	10.9
260.11948	1.1
261.12814	2.3
263.14270	1.9
265.12149	1.4
265.15741	1.1
269.13083	1.8
270.13989	1.9
271.11224	1.7
272.11923	2.2
272.15546	1.1
273.12686	2.5
273.15939	1.2
275.14380	2.3
283.11237	1.4
283.14746	2.3
284.15436	1.7
285.12830	2.8
285.16135	1.2
286.13528	2.2
287.14230	4.0
288.14957	1.5
289.15744	1.2
297.12726	3.5
299.14288	3.2
299.17795	2.1
300.15060	3.3
301.16159	2.3
311.14273	2.0
312.14795	2.2
313.15802	3.5
315.17337	3.1
317.15399	2.0
317.18945	2.5
319.15897	1.8
327.13840	1.8
327.17319	4.8
328.18066	1.8
329.15271	3.9
329.18933	2.5
331.16949	1.5
340.14703	1.5
341.19009	2.9
343.16882	2.2
345.18420	3.8
347.16391	3.1
354.16208	1.4
357.18552	2.6
359.20264	5.5
369.18564	5.6
375.19504	4.5
377.21225	8.8
387.19589	22.8
405.20645	23.8
423.21686	3.4
447.21762	4.2
465.22748	10.1
509.23215	1.2
525.24646	4.1
527.24969	1.2
551.25189	1.1
569.25061	2.3
609.25732	1.1
629.27429	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	647.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
52.10362	0.9
53.03936	3.5
55.01885	4.7
55.05504	3.3
56.66716	0.9
67.05493	3.9
69.03416	2.4
69.07063	1.9
79.05492	5.4
81.03429	4.7
81.07040	3.0
83.04972	3.7
91.05482	12.0
93.07047	4.6
95.04974	9.4
95.08618	2.2
97.02868	1.4
97.06503	1.6
98.20602	1.7
103.05473	48.5
105.03393	6.7
105.07030	10.6
107.04948	4.1
107.08591	4.8
109.06498	2.8
115.05463	5.6
117.07024	9.6
119.04971	1.2
119.07789	1.6
119.08582	18.3
121.02877	1.0
121.06484	2.5
121.10110	2.8
128.06219	3.8
129.07027	8.9
130.07774	1.3
131.04932	100.0
131.08578	9.7
133.06477	4.6
133.10118	4.4
135.08066	4.5
141.07007	3.6
142.07751	3.2
143.08556	9.1
144.09346	1.6
145.06487	10.8
145.10106	6.6
147.08052	26.7
147.11655	1.3
149.05992	1.1
149.09637	2.5
154.07719	1.4
155.08536	4.2
156.08163	1.1
156.09309	5.3
157.06546	1.3
157.10141	10.8
158.07327	2.1
159.08073	15.9
159.11685	11.4
161.05980	6.6
161.09590	9.6
163.07545	11.3
165.07036	1.9
166.07780	1.7
167.08543	1.3
168.09299	1.9
169.10181	8.4
170.10889	1.3
171.08051	3.2
171.11676	10.3
172.08766	1.4
173.05952	1.9
173.09647	11.6
173.13286	5.5
174.10283	1.1
175.07549	5.6
175.11250	2.0
177.09109	2.3
179.08632	1.5
180.05301	1.0
180.09294	1.4
181.10097	3.9
183.08073	3.3
183.11716	15.9
184.08804	2.8
184.12334	1.1
185.09554	4.7
185.13255	3.6
187.07503	5.4
187.11237	4.8
189.09058	1.5
189.12778	1.8
191.08624	1.1
193.10078	3.0
194.10876	1.6
195.11678	3.8
197.09575	6.3
197.13274	2.9
199.11191	17.5
199.12907	1.9
200.11745	1.1
201.09048	2.7
201.12782	5.3
203.10628	2.1
207.11707	3.1
208.12270	1.0
209.09648	2.5
209.13171	2.3
211.11165	5.4
213.09091	2.1
213.12738	4.7
215.08902	1.0
215.10712	3.3
215.14145	1.2
217.12195	2.8
219.09914	1.6
219.11813	2.0
219.13818	3.0
220.12434	1.2
221.09679	1.8
221.13184	2.8
222.10286	1.1
223.11165	4.2
223.14726	1.3
225.09053	4.7
225.12686	2.8
227.10667	2.5
229.12180	6.7
230.11096	1.6
231.11879	1.3
231.13837	1.5
232.12286	1.1
235.11229	1.3
237.12750	1.9
239.10748	1.3
241.08675	1.1
241.12201	1.2
243.10051	1.3
245.11688	2.9
247.11124	2.2
247.13136	6.9
248.11845	1.3
249.09192	1.3
249.12775	1.9
251.10703	1.5
253.08542	1.0
253.12349	1.6
256.12524	1.4
257.11615	1.8
259.11154	2.2
260.11926	2.0
261.12708	1.6
267.13882	1.7
271.09659	1.1
271.14877	1.2
272.11868	1.3
273.12769	1.5
277.12207	1.8
279.13788	1.3
285.12570	1.8
286.13394	1.2
287.14279	2.2
288.14484	1.0
289.12161	1.0
289.15695	1.4
293.15002	1.4
299.14117	2.2
300.15027	1.1
301.15805	2.1
313.15640	1.2
315.13785	1.4
315.17447	3.0
316.18170	1.6
317.15262	1.7
327.13678	1.9
327.17325	1.2
329.18985	3.1
331.16736	2.2
333.18527	2.6
343.16910	1.9
347.16382	1.1
347.20187	1.9
349.17963	1.5
357.18652	6.0
359.16223	1.5
375.19559	9.5
377.21378	1.6
385.18094	1.8
389.20950	1.4
393.20547	7.7
395.18460	2.6
403.19122	6.7
405.20593	3.9
411.21619	3.4
421.20230	11.4
425.23105	3.2
433.16254	4.0
437.23096	1.3
439.21307	5.5
465.22562	2.0
469.18289	1.7
480.24933	0.9
481.18710	1.3
499.23373	1.8
647.25146	3.5
647.56403	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01878	5.8
55.05509	2.6
65.03936	1.2
67.05493	3.8
69.03409	2.7
69.07073	1.6
71.55755	1.3
77.03920	1.4
79.05495	5.8
81.03427	5.4
81.07040	3.7
81.91661	0.9
83.04975	4.0
91.05482	13.5
93.07035	4.5
95.01286	1.3
95.04979	11.1
95.08601	2.0
97.02889	3.4
97.06505	1.2
103.05470	49.4
105.03398	7.9
105.04504	2.0
105.07026	12.0
107.04950	3.7
107.08588	4.5
109.06518	3.5
109.10130	1.2
115.05460	5.8
116.74929	1.0
117.07005	10.4
119.04912	1.0
119.08586	16.1
121.02959	1.0
121.06503	3.9
121.10137	2.1
123.08073	1.4
128.06218	4.0
129.07014	7.3
130.07851	1.1
131.04935	100.0
131.08582	9.5
133.06487	8.4
133.10126	4.3
135.04405	1.2
135.08028	4.8
135.22165	0.9
137.05959	1.6
141.06949	2.7
142.07747	4.0
143.08583	9.8
144.05655	1.2
145.06497	9.0
145.10127	6.8
147.08058	26.0
147.11748	1.5
149.06010	2.3
149.09616	3.5
151.07521	1.2
153.06996	1.2
154.07848	1.8
155.08562	3.6
156.09326	5.3
157.06596	1.2
157.10141	11.8
158.07339	1.3
159.08072	17.9
159.11705	10.1
160.76511	0.9
161.05968	9.1
161.09590	6.6
163.07558	14.1
165.07001	2.3
166.07808	1.8
167.08551	2.2
168.09241	1.1
169.10164	6.8
170.10834	1.5
171.08073	4.2
171.11699	11.7
172.08727	1.3
173.06004	3.4
173.09645	8.9
173.13254	4.8
175.07541	4.4
175.11156	2.2
177.09128	2.2
179.08556	2.2
181.10100	2.9
183.08057	3.9
183.11705	13.4
184.08842	3.2
185.09622	5.3
185.13251	3.5
187.07600	5.3
187.11124	5.0
189.09177	1.9
189.12790	1.3
191.10693	1.1
192.09340	1.2
193.10104	2.4
195.11707	3.3
196.08806	1.2
197.09624	5.5
197.13326	3.3
198.10405	1.6
199.07489	1.4
199.09462	1.8
199.11192	19.4
200.11653	1.3
201.09096	3.0
201.12723	5.4
203.10638	1.6
205.12125	1.2
207.11682	4.1
209.09598	3.1
209.13185	1.9
211.11211	3.8
213.09119	2.4
213.12726	6.1
215.10614	3.0
217.10336	1.4
217.12268	3.3
218.10966	1.6
219.11763	1.2
219.13809	1.8
221.09685	1.9
221.13258	3.7
222.10394	1.2
223.11154	2.6
223.14902	1.4
225.09148	5.0
225.12712	2.7
227.10670	3.0
229.12222	7.1
230.10982	1.0
231.11778	1.7
231.13777	2.5
235.14943	1.1
237.09027	1.1
237.12790	2.3
239.10652	2.2
245.09520	1.9
245.11758	2.8
246.13835	1.4
247.11116	1.8
247.13174	5.3
249.12733	2.3
249.16383	1.3
251.10605	1.5
256.12378	1.4
257.11682	1.9
258.13934	1.2
259.11163	1.1
263.14114	1.4
267.10117	1.6
267.17523	1.1
271.09665	2.1
273.12640	1.5
279.13757	1.5
281.11734	1.2
285.12598	1.9
287.14304	1.7
289.16049	1.5
293.15402	1.1
299.14392	1.9
300.14957	2.0
301.15869	1.9
304.23364	1.0
313.12292	1.3
313.15750	1.4
315.17535	1.9
327.13788	1.6
329.18726	1.9
331.16806	3.2
333.18436	2.6
343.16895	1.4
347.16257	1.4
347.20105	1.8
349.17645	1.2
354.45361	1.0
357.18524	6.2
359.16214	2.2
359.20065	2.3
361.17773	1.3
371.19720	1.1
373.14139	1.4
375.19666	8.9
377.17288	1.9
385.17987	2.3
387.19635	1.5
393.20590	5.6
395.18478	3.0
403.19083	4.1
405.20688	5.9
411.21643	2.8
421.20111	10.2
425.23322	3.7
433.16403	4.5
439.20941	3.4
465.22800	4.8
499.23090	1.8
647.24133	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	647.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.6
53.03948	6.5
55.01874	7.5
59.12262	1.2
67.05496	1.6
69.03423	2.3
69.07072	2.3
76.25925	1.4
77.03918	1.7
79.05507	3.0
81.03418	4.4
81.07076	1.3
91.05061	1.2
91.05496	13.6
93.07033	4.0
95.04983	10.5
95.08616	2.3
105.03400	100.0
105.04533	4.1
105.07041	9.1
107.04938	3.7
107.08603	3.7
109.06513	2.0
113.37662	1.1
115.05457	6.1
116.06271	1.5
117.07037	9.7
119.08599	14.4
121.06494	2.4
121.10153	2.1
128.06233	3.2
129.07019	8.2
131.04941	1.5
131.07858	1.2
131.08589	11.8
132.05640	1.5
133.06532	1.7
133.10115	7.8
135.08047	3.6
141.06993	3.5
142.07822	6.3
143.08574	10.7
145.06525	9.0
145.10106	8.4
147.06935	2.4
147.08055	35.3
147.11655	1.9
149.09637	2.6
155.08574	3.7
156.09372	7.2
157.06526	2.5
157.10164	15.2
158.07303	2.5
159.08055	19.0
159.11714	2.3
161.09624	16.8
163.07550	3.0
165.29050	1.5
166.07703	1.7
167.08556	1.6
169.10156	6.3
170.10832	3.3
171.08116	7.1
171.11714	22.0
173.06003	1.6
173.09634	10.6
175.07539	10.3
175.11160	2.5
179.08583	2.5
181.10088	3.5
183.11703	11.3
185.09637	9.4
185.13280	13.1
187.07576	1.7
187.11189	4.3
189.09027	1.4
191.10661	3.4
195.11703	2.6
197.09622	2.9
197.13248	4.3
198.10419	1.8
199.07538	1.4
199.11166	9.9
200.11873	1.7
201.09106	3.4
203.10635	2.9
205.10083	1.6
207.11723	2.7
213.12790	12.0
215.10703	2.4
217.08565	3.5
217.12199	3.1
219.10037	2.2
221.13329	2.2
223.11168	2.6
225.12630	1.7
227.10674	2.7
229.12233	4.1
231.11697	2.0
231.13800	18.1
233.13190	1.7
235.11382	1.7
237.12764	2.1
241.12268	5.1
243.11755	1.8
244.12402	1.6
245.11711	5.2
249.12579	2.0
249.16391	1.6
251.10620	2.9
256.12418	1.3
257.13345	1.5
259.10889	2.4
259.13153	14.5
261.12683	2.5
263.14261	1.4
265.12308	1.3
271.14920	1.6
272.12042	1.8
273.16498	1.4
274.13361	1.6
275.14078	1.7
283.11108	1.6
284.11880	1.5
285.12689	2.0
285.16119	1.9
286.13452	2.3
287.14215	3.8
289.12286	2.1
289.15662	1.6
297.12790	3.1
299.14279	3.1
301.15906	2.7
303.13702	2.1
303.17496	1.6
311.14001	2.1
312.15176	2.9
313.15625	3.2
315.17422	3.5
317.18921	4.7
319.16165	1.4
327.13824	1.9
327.17355	6.1
328.18069	2.4
329.15302	4.0
329.18924	1.6
331.16858	1.8
341.19028	3.3
345.18515	4.1
347.16263	2.1
357.18359	3.7
359.20084	4.6
369.18591	6.6
374.06262	1.5
375.19492	7.0
377.21216	9.4
387.19473	24.4
405.20596	27.5
423.21655	3.6
447.21594	4.4
465.22876	9.6
509.23401	2.1
525.24585	5.3
569.25134	1.7
629.27661	6.2
631.93439	1.3
647.28619	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	647.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.4
53.03936	7.1
55.01873	10.8
55.05498	5.2
55.36903	1.6
67.05511	5.3
69.03419	1.7
69.07063	3.2
69.22050	12.0
69.22459	3.5
75.17190	1.4
79.05479	5.7
81.03432	9.9
81.07066	3.2
83.04993	2.9
91.05486	19.0
93.07050	8.3
95.01307	1.7
95.04984	18.8
95.08600	3.2
103.05455	6.8
105.03399	100.0
105.04514	5.5
105.07033	18.3
107.04980	3.4
107.08594	5.9
109.06557	2.1
109.10173	2.0
115.05466	5.2
116.06235	1.8
117.07018	9.7
119.08601	19.0
121.02879	3.9
121.06525	3.5
121.10124	3.8
123.08074	1.5
128.06235	4.2
128.75890	1.4
129.06990	10.9
131.04951	12.6
131.08591	12.3
132.05681	1.7
133.06506	9.1
133.10173	10.5
135.08040	3.3
141.07042	3.7
142.07761	7.5
143.08582	12.4
145.06497	11.3
145.10124	9.0
147.08046	33.8
147.11714	3.0
149.09583	4.2
155.08514	6.9
156.09390	7.7
157.10136	16.3
159.08076	19.0
159.11679	5.1
161.06071	8.7
161.09627	19.3
163.07495	3.2
165.07030	4.3
166.07758	2.1
167.08559	3.6
169.10150	10.5
170.10890	5.7
171.08008	6.4
171.11694	28.2
173.05968	1.7
173.09607	12.6
173.13298	2.4
175.07565	10.8
178.07697	1.7
179.08670	2.9
180.09343	1.7
181.10152	4.3
183.08058	2.8
183.11658	13.5
185.09630	8.0
185.13278	11.9
187.11189	4.9
189.09094	8.3
191.10677	2.6
193.10143	4.8
194.10886	3.2
195.11716	8.4
196.08786	2.4
197.09593	6.0
197.13347	3.1
199.11186	8.3
200.12003	2.5
201.09044	4.1
201.12823	3.3
206.10931	3.2
207.11673	5.6
209.09590	2.5
209.13271	6.8
211.11105	3.9
213.09138	2.1
213.12767	13.0
215.08595	2.1
215.10591	3.1
217.10306	2.7
217.12206	3.8
219.11737	3.3
220.12509	3.5
221.09682	2.9
221.13336	7.2
222.10509	1.7
223.11266	3.5
223.14861	2.4
225.12787	3.3
229.12289	3.0
231.11700	3.8
231.13831	12.4
232.12289	2.8
234.14069	1.5
235.11156	4.2
235.14786	7.2
236.12115	2.2
237.12680	2.2
241.12230	5.5
243.11745	2.9
244.12546	2.3
245.13460	2.6
246.10600	2.0
246.13950	2.8
247.11197	3.0
247.14771	2.6
249.12711	3.2
251.14212	1.6
256.12543	2.6
257.13397	3.9
258.14090	3.2
259.10938	2.7
259.13177	9.3
260.11960	2.0
261.12671	3.7
263.14261	5.5
269.13202	2.2
270.13913	3.0
271.11194	1.9
271.14783	5.6
273.12698	3.5
274.13577	2.2
283.11212	1.9
283.14673	3.6
284.12018	1.5
284.15540	1.8
285.12732	4.1
287.14417	2.7
288.14871	1.8
289.15948	2.4
296.11963	2.1
297.12723	5.8
298.13666	2.4
299.14212	4.3
300.15115	2.4
301.15820	2.8
303.17218	2.5
311.14194	4.0
312.15079	3.4
313.15884	5.0
314.16556	1.8
315.17261	3.0
317.15289	2.2
317.18915	3.7
326.16650	2.4
327.13660	2.2
327.17328	4.5
329.15375	3.5
329.18954	4.0
331.16934	29.0
333.18567	2.4
341.18970	5.9
343.16998	3.4
345.18433	5.9
347.16586	2.2
354.16241	1.7
357.15323	1.6
357.18634	16.5
359.20041	10.5
369.18436	12.2
375.19604	24.3
377.21060	6.9
387.19525	27.7
392.19171	1.8
405.20648	29.2
423.21631	4.5
447.21616	3.3
465.22797	8.5
525.25098	4.0
629.27283	5.7
647.28064	2.7
647.38275	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2689
Annotation	Cineracipadesin E
Peak:m/z	Relative Intensity
53.03937	8.0
55.01863	7.3
55.05513	28.6
67.05492	18.6
69.03419	6.7
71.54945	5.5
73.31270	4.6
79.05496	32.9
81.03395	19.3
81.07029	21.1
83.04988	49.8
91.05483	46.5
93.07050	31.9
95.04962	39.1
95.08594	14.6
97.06525	7.1
103.05468	43.5
105.03398	26.0
105.07047	55.0
107.04932	11.5
107.05631	6.9
107.08617	31.2
109.06504	17.2
115.05468	11.6
117.06996	20.6
119.08584	65.9
121.06491	15.4
121.10139	11.0
123.04404	7.6
123.08031	10.4
127.10695	5.4
128.06218	9.2
129.06987	19.4
131.04932	80.9
131.08563	31.7
132.05205	6.6
132.13629	5.1
133.06526	32.6
133.10133	28.9
134.29083	6.2
135.08034	21.2
141.06978	13.5
142.07787	16.3
143.08563	39.8
145.06483	16.3
145.10083	36.1
147.08028	22.0
149.05978	10.3
149.09627	36.3
152.50784	5.4
154.07767	6.6
155.08531	21.3
156.09296	12.4
157.10127	66.8
159.08075	21.2
159.11662	30.3
161.05962	18.5
161.09607	17.0
163.07507	10.9
165.07002	8.1
165.09201	6.5
166.07776	12.6
167.08482	8.9
168.09358	6.7
169.04993	7.7
169.10149	48.5
170.10876	18.1
171.08002	16.6
171.11713	44.3
173.09612	28.9
173.13159	10.6
177.05482	7.1
179.07054	10.6
179.08542	14.5
180.09308	8.7
181.10127	17.2
183.08041	11.9
183.11688	100.0
184.12317	8.1
185.09601	19.8
185.13295	32.1
187.07597	6.5
187.11172	20.1
189.09042	7.2
192.09315	7.4
193.10146	32.9
194.10854	16.1
195.08089	8.9
195.11713	33.3
197.09567	15.0
197.13179	14.9
199.11168	25.7
201.09145	6.2
201.12756	17.8
205.10103	21.3
206.10889	24.0
207.11729	33.2
208.12431	16.3
209.09637	12.9
209.13216	22.4
211.11137	28.3
211.14828	9.0
213.12764	24.8
215.08575	7.6
215.10703	6.6
216.09280	11.1
217.10233	31.0
217.12051	10.2
218.10902	17.0
219.11739	32.0
220.12425	17.4
221.09666	7.5
221.13278	34.6
222.13744	9.2
223.11171	14.1
223.14835	15.5
224.15501	6.7
225.12639	11.7
227.10661	11.7
229.10081	15.0
229.12231	22.5
230.10919	19.0
231.11725	43.4
232.06564	6.0
232.12419	30.6
233.13278	35.6
234.13979	13.6
235.11119	14.6
235.14693	25.7
237.12639	16.1
237.16324	12.5
239.10741	6.2
241.12155	6.3
243.11674	24.0
243.13864	11.9
244.12517	30.1
245.13301	48.2
246.14194	31.1
247.11118	16.7
247.14899	40.3
248.12167	8.3
248.15157	7.8
249.12640	15.0
249.16547	9.6
251.14232	16.7
255.11606	13.7
255.13930	8.3
256.12488	13.6
257.13275	26.0
258.10358	5.9
258.13937	21.8
259.11182	14.6
259.14984	31.6
260.15546	21.9
261.12561	15.5
261.16455	40.8
262.16748	11.7
263.11044	7.5
263.14212	13.3
263.17908	11.1
265.12408	6.9
265.15622	7.3
267.11523	7.9
268.12445	8.2
269.13232	7.6
270.13928	13.8
271.10895	9.2
271.14697	12.7
272.12021	8.9
272.15262	9.2
273.12662	21.6
273.16452	28.3
274.13535	10.9
275.14352	18.4
275.17911	22.8
276.15082	8.4
277.15811	10.3
277.19119	7.0
279.13876	9.0
283.11209	9.5
283.14651	12.2
284.11899	7.7
285.12640	17.5
285.16241	16.2
286.13589	17.6
287.14227	26.3
287.17896	7.7
288.14981	11.7
289.12271	7.3
289.15741	27.9
291.17303	9.9
295.17322	6.1
297.12677	9.6
297.16125	11.6
299.10754	5.9
299.14255	13.2
299.17639	11.3
300.14993	8.9
301.12509	9.1
301.15683	29.5
302.16403	9.7
303.13824	9.1
303.17361	43.2
305.15567	11.7
305.18808	12.3
307.16837	13.4
311.14291	8.7
313.12177	12.6
314.12781	7.2
315.13989	7.6
315.17419	23.1
316.14368	9.0
317.15298	14.0
317.19043	30.4
319.16858	21.3
321.18561	17.0
325.15695	9.4
327.13611	8.2
327.17334	14.7
328.14453	10.8
329.15430	40.3
331.16895	27.3
333.14761	8.3
333.18402	19.5
335.20108	6.8
343.16956	45.7
345.14685	10.3
345.18533	25.6
347.16373	50.1
348.16589	7.5
349.17783	15.5
359.16248	12.2
359.20120	13.2
361.18005	79.0
363.15543	9.8
363.19415	20.9
365.17432	33.2
367.19031	9.6
369.18256	8.9
371.16354	39.1
373.18115	14.4
375.15591	14.0
377.21069	20.4
379.19055	57.7
380.19476	6.0
387.19708	15.0
389.17334	59.3
391.18903	19.8
393.16595	9.1
399.15796	9.4
403.18808	11.9
405.20529	20.5
407.18408	61.2
417.16742	13.9
419.17761	8.7
421.20270	35.3
423.21454	11.2
435.18033	24.3
439.21152	34.5
449.19357	17.4
453.18790	11.5
467.20813	47.9
513.21173	13.6
516.71149	6.5
577.96368	6.0
621.68262	6.0
647.25800	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	647.2491
Annotation	Voamatin D
Peak:m/z	Relative Intensity
51.02387	0.6
51.51228	0.3
53.03957	1.5
55.01883	1.4
55.05513	2.0
55.96492	0.4
56.05855	0.4
64.95699	0.3
65.03951	0.6
67.05515	2.3
67.67245	0.3
67.95463	0.3
68.91930	0.3
69.03435	1.2
69.07086	0.4
70.06606	0.5
71.55592	0.4
77.03945	1.1
79.05502	2.9
81.03430	1.1
81.07064	1.5
81.75877	0.3
83.04993	2.5
91.05499	3.4
93.07062	1.5
95.01321	0.5
95.04977	5.9
95.08619	1.0
97.06548	0.7
102.04686	0.6
103.05479	44.3
105.03399	2.3
105.04537	0.9
105.06374	0.7
105.07040	7.1
107.04945	0.9
107.08598	1.8
109.06519	1.6
109.10172	0.6
111.04480	0.4
115.05473	2.5
116.06265	0.6
117.07059	2.0
119.04981	0.9
119.08598	3.6
121.02866	0.8
121.06550	2.3
121.10143	1.0
123.04427	1.5
123.08081	0.8
125.06001	1.5
128.06245	1.4
129.07028	1.7
131.04939	100.0
131.08572	3.9
132.05273	0.6
133.06511	5.3
133.10132	2.1
135.08087	2.9
137.06024	0.7
139.03925	0.5
141.07010	1.6
142.07764	1.4
143.08559	2.6
145.06520	2.7
145.10144	1.4
147.04483	0.5
147.08061	2.8
147.11725	0.5
149.02405	0.6
149.06017	2.3
149.09621	1.0
151.07545	1.0
152.14381	0.3
153.05487	1.3
153.06967	0.6
155.08563	1.6
156.09305	1.2
157.06557	0.7
157.10149	2.8
158.07263	0.6
159.04457	0.5
159.08083	4.8
159.11765	1.0
161.05995	12.6
161.09589	2.0
162.06551	0.4
163.07558	4.0
165.05568	0.5
165.07010	1.3
165.09099	0.6
166.07722	0.5
167.08531	1.1
168.09253	0.4
169.06503	1.1
169.10115	2.4
170.10858	0.9
171.08044	2.2
171.11746	3.2
172.08768	0.4
172.12103	0.5
173.06021	1.3
173.09695	1.7
173.13258	0.4
175.07603	1.7
175.11226	0.6
176.73886	0.3
177.05484	1.0
177.09068	1.7
178.07741	0.4
179.07056	1.4
179.08495	0.8
179.10651	0.8
180.09349	0.7
181.06519	0.4
181.10123	1.2
182.07162	0.6
182.10960	0.4
183.08075	1.1
183.11728	3.4
184.07393	0.4
184.08859	0.7
184.12120	0.7
185.06029	0.8
185.09616	1.5
185.13286	1.4
187.07564	2.3
187.11174	0.9
189.05435	0.9
189.09113	1.3
191.07069	0.6
193.08546	0.5
193.10127	1.2
195.08073	0.9
195.11705	1.4
196.08754	0.4
197.09662	2.7
197.13292	0.8
198.06699	0.5
198.10364	0.4
199.07533	1.6
199.11142	2.5
200.11671	0.4
201.05452	0.5
201.09178	1.0
201.12816	0.5
203.07027	1.2
205.08597	3.1
205.10274	0.8
205.12256	0.4
207.08260	0.6
207.10162	1.4
207.11745	1.0
208.12505	0.4
209.05943	0.4
209.09531	0.9
209.13298	0.8
210.10385	0.5
211.07558	0.7
211.11182	1.4
212.11650	0.5
213.09097	1.3
213.12674	1.8
215.07039	1.8
215.08835	0.3
215.10690	1.2
215.14224	0.5
216.09294	0.7
217.08502	2.2
219.09985	0.7
219.11832	0.6
221.13277	0.6
222.10387	0.5
223.07639	0.4
223.11166	1.1
224.11829	0.4
225.05550	0.4
225.09142	2.3
225.12735	0.8
227.10655	0.8
229.08545	0.8
229.12209	0.8
231.09930	0.5
231.13760	0.7
232.12410	0.5
233.07953	0.5
233.13301	0.5
235.07671	0.4
235.09528	1.5
236.11926	0.5
237.09116	0.6
237.12820	0.4
237.16438	0.5
238.13474	0.4
239.10606	0.9
241.08627	1.5
241.12265	0.6
243.06479	0.4
243.10170	1.2
243.13832	0.9
244.12483	0.4
245.13284	0.8
245.15511	0.5
247.09546	1.0
247.14938	0.6
249.12827	0.6
251.10664	0.4
253.08559	0.8
255.09924	0.5
255.13893	0.5
257.07858	2.0
257.11755	0.5
258.13907	0.4
259.09442	1.7
261.11151	0.8
261.16330	0.5
262.13455	0.4
263.10745	0.4
265.10800	0.6
267.10086	0.4
269.11917	0.3
270.13995	0.5
272.15378	0.4
273.12411	0.6
273.15048	0.6
275.10623	0.4
275.14059	0.4
277.15775	0.4
281.11856	0.5
285.11142	1.0
285.16116	0.4
288.14987	0.6
289.15668	0.6
293.11801	0.4
297.11081	0.5
301.10782	0.9
301.15573	0.5
303.12186	2.7
303.17276	0.6
311.13669	0.4
315.13373	0.4
319.11646	0.5
319.16916	0.4
319.87326	0.4
329.15176	0.7
331.16830	0.9
333.14740	0.9
335.16327	0.5
341.15109	0.5
343.13065	0.6
343.16669	0.4
345.14682	0.5
345.18558	0.4
347.16357	0.8
349.18182	0.4
357.14386	0.8
358.14340	0.7
359.15787	0.5
359.20065	0.5
361.14053	0.6
363.19757	0.5
373.17871	1.0
375.15744	1.0
377.17181	0.8
385.14291	1.0
387.19504	0.6
391.19046	1.0
393.16635	0.6
401.18051	0.4
403.15430	1.4
403.19583	0.6
405.20480	0.6
409.20142	0.5
419.18649	0.5
421.16147	1.5
421.20868	0.7
433.20419	0.6
434.20514	0.7
439.17319	1.2
449.15643	1.7
451.21542	0.8
452.21561	0.5
455.16711	0.4
463.17383	2.2
467.16498	0.4
469.22458	0.7
471.15021	0.8
481.18332	4.1
482.19412	0.6
483.18878	3.1
485.16855	1.1
497.18500	0.5
499.19296	3.5
500.19202	0.9
515.20148	2.0
555.25659	0.5
569.22516	2.8
574.22351	0.5
587.23438	3.2
588.24261	0.8
611.22162	0.6
618.21252	0.5
619.26056	0.5
629.23547	2.5
647.24811	7.4
673.72137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.4
51.02381	0.6
53.03946	2.2
55.01876	2.0
55.05521	1.8
57.03416	0.3
63.54585	0.3
63.65679	0.2
64.28694	0.3
65.03943	0.4
65.61077	0.3
67.05509	1.5
69.03429	1.0
69.07030	0.3
70.92149	0.3
77.03944	1.1
79.05499	2.6
80.32062	0.2
81.03420	1.8
81.07063	1.1
82.52641	0.3
83.04984	2.3
91.05473	3.6
93.03384	0.4
93.07034	1.2
95.01328	0.5
95.04967	10.2
95.08604	1.1
97.02879	0.5
97.06521	0.5
98.21522	0.6
102.04695	0.5
103.05470	51.4
104.05811	0.4
105.03397	0.7
105.04537	0.9
105.07028	5.5
107.04964	1.3
107.08581	1.1
109.02875	0.3
109.06499	1.4
111.04423	0.3
115.05450	2.2
117.07021	2.1
119.04928	1.0
119.08589	2.6
121.02845	0.6
121.06513	1.5
121.10085	0.5
123.04427	0.7
123.08075	1.0
125.05984	1.0
128.06209	1.8
129.07002	2.1
130.07799	0.3
131.04930	100.0
131.08577	2.3
132.05270	0.5
133.06494	4.8
133.10112	0.9
135.04436	0.9
135.08034	2.8
137.05975	1.1
139.04004	0.3
141.06963	1.7
142.07787	1.3
143.08549	3.0
144.05673	0.5
144.09315	0.5
145.06485	3.2
145.10136	1.3
146.07219	0.4
147.04347	0.6
147.08064	1.9
149.05975	1.5
149.09636	0.7
151.07510	0.9
153.05452	0.5
153.06958	0.9
154.07771	1.3
155.08549	2.0
156.09343	1.3
157.06483	1.4
157.10139	2.4
158.07283	0.6
159.04399	0.7
159.08066	3.8
159.11708	0.9
161.05994	9.5
161.09636	1.5
163.07544	4.6
163.11128	0.4
165.05531	0.6
165.06987	1.2
166.07738	0.5
167.08565	1.1
168.05617	0.4
168.09306	0.3
169.06471	2.1
169.10127	2.5
170.07243	0.7
170.10881	1.0
171.08046	3.1
171.11687	2.5
172.08806	1.2
173.05951	1.7
173.09608	2.1
175.03943	0.5
175.07556	1.6
175.11165	0.3
177.05452	0.7
177.09082	0.8
178.07805	0.4
179.07051	1.3
179.08530	1.2
180.09360	0.4
181.06587	0.5
181.10130	1.3
182.07288	0.9
183.08054	2.7
183.11615	1.9
184.08804	1.1
185.05962	0.8
185.09584	3.5
185.13205	1.4
187.07535	3.3
187.11154	1.8
188.08405	0.5
189.05481	1.0
189.09006	1.4
191.07007	0.6
191.08580	0.5
191.10489	0.4
193.10141	0.8
195.08084	1.4
195.11673	1.1
196.08783	0.8
197.06087	1.4
197.09636	4.4
197.13315	0.5
198.06775	0.8
198.10373	0.8
199.07533	4.2
199.09232	0.4
199.09587	0.3
199.11191	2.7
201.05487	0.5
201.09094	1.4
201.12775	0.4
203.07056	1.2
203.08833	0.4
203.10660	1.0
204.09445	0.4
205.06786	0.3
205.08553	1.4
205.10237	0.5
207.06462	0.7
207.08147	0.6
207.11664	1.0
208.08810	0.6
209.06000	0.7
209.09631	1.2
209.13211	0.5
210.10452	0.3
211.07573	1.6
211.11191	1.0
213.05508	0.4
213.09116	5.5
213.12668	1.8
214.09993	0.3
215.06976	1.3
215.10617	1.7
217.08517	1.9
217.10353	0.5
217.12138	0.6
219.08223	0.5
219.10052	0.5
220.08891	0.3
221.09691	0.5
221.13229	0.6
223.07512	1.0
223.11186	0.7
223.14874	0.5
224.11880	0.3
225.05521	2.2
225.09064	4.8
225.12639	0.6
227.06966	1.4
227.10698	0.9
229.04883	0.4
229.08502	0.9
229.12259	0.7
231.09898	1.4
231.13757	0.6
232.08955	0.5
233.07814	0.4
233.09769	0.6
234.14049	0.3
235.07442	0.3
235.09357	0.5
235.11374	0.4
237.09001	1.2
237.12761	0.6
239.06949	0.3
239.10651	0.9
241.08537	5.5
241.12254	0.6
243.06522	1.1
243.10080	3.5
245.07881	1.5
245.11516	0.4
247.09593	1.1
249.09161	0.5
249.12822	0.4
251.06970	0.7
251.10799	0.6
251.18004	0.3
253.08490	0.7
253.12288	0.6
255.09927	1.5
257.08060	17.5
258.08798	1.2
259.09613	9.0
259.13171	0.3
261.11063	0.4
261.16394	0.3
263.10666	0.6
263.14050	0.4
267.10022	0.7
269.07974	0.6
271.09650	1.1
273.11072	1.6
275.09088	1.2
279.10165	0.3
281.11807	0.4
283.09531	0.8
285.11011	2.8
287.14273	0.5
289.12213	0.5
289.15436	0.4
291.09918	0.4
297.11615	0.4
300.11462	0.3
301.10684	9.6
301.15692	0.5
303.12274	5.9
303.17346	0.5
309.11334	0.4
313.12024	0.6
317.11716	0.4
317.15405	0.4
319.11789	3.7
329.15186	0.6
331.12955	0.5
331.16940	0.4
339.13214	0.4
341.15231	0.3
343.13196	0.5
347.16159	0.8
347.26752	0.3
355.12775	0.4
357.15097	1.4
359.12585	0.4
361.18100	0.4
371.12717	0.6
373.14044	0.6
375.15347	0.6
377.17325	1.0
385.14407	1.6
389.13522	0.6
391.15201	1.0
393.16858	0.6
395.18237	0.7
401.13739	1.5
403.15338	1.9
413.13922	0.8
417.16916	0.5
419.14685	0.9
421.16055	1.6
423.13843	0.5
431.14825	1.9
433.16071	0.7
435.17944	0.4
437.19727	0.4
439.17261	1.2
445.16644	1.4
449.15918	7.1
451.17212	1.2
455.17081	0.9
463.17480	6.4
467.17053	1.5
475.17163	0.5
481.12073	0.4
481.18549	6.5
487.23334	0.4
499.19620	4.8
500.19846	0.4
527.09003	0.3
587.22247	1.2
593.21484	0.6
597.20746	0.4
611.22296	2.3
629.23602	3.4
647.24469	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	647.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.4
51.02402	0.7
53.03946	1.8
55.01871	2.3
55.05516	1.5
62.44305	0.3
65.03944	0.4
65.86901	0.3
67.05508	1.9
69.03427	1.2
70.07066	0.7
70.07457	0.9
71.65451	0.3
71.96769	0.3
77.03941	0.9
79.05497	2.8
81.03429	1.6
81.07065	1.0
83.04994	2.2
85.02856	0.4
91.05482	4.5
92.58801	0.3
93.07046	2.0
95.01363	0.5
95.04976	13.0
95.08627	1.2
97.06523	0.8
103.05476	46.2
105.03439	0.5
105.04519	1.4
105.07032	7.1
107.04965	2.1
107.08597	1.3
109.06525	1.3
115.05447	2.8
116.84689	0.4
117.07035	2.6
119.04961	1.4
119.08600	2.6
121.02831	0.7
121.06554	2.0
121.10229	0.4
121.22340	0.3
123.04418	0.9
123.08086	1.0
125.05968	1.1
128.06252	2.3
129.06999	3.0
130.07782	0.5
131.04936	100.0
131.08556	3.2
132.05299	0.5
133.05594	0.6
133.06508	6.9
133.10147	1.2
135.04425	1.0
135.08047	2.8
137.05998	1.3
139.03938	0.6
141.07007	2.2
142.07808	1.7
143.08572	3.5
144.05750	0.4
144.09355	0.4
145.06490	5.0
145.10162	1.8
147.04356	0.8
147.08046	2.5
149.05972	1.7
149.09650	0.9
151.07561	0.9
152.06198	0.6
153.05519	0.7
153.06998	1.0
154.07790	1.3
154.63394	0.4
155.08571	1.9
156.09360	1.3
157.06523	1.6
157.10107	3.3
158.07277	1.1
159.04416	0.7
159.08070	5.3
159.11771	1.6
160.08861	0.4
161.05995	11.2
161.09627	1.4
162.06772	0.5
163.03870	0.4
163.07562	5.1
165.05585	0.5
165.06998	1.4
165.09135	0.6
166.07892	0.7
167.08600	1.7
169.06479	2.7
169.10106	3.7
170.07243	1.3
170.10892	1.7
171.08058	3.9
171.11745	1.9
172.08830	1.6
173.05992	1.8
173.09624	2.4
174.06808	0.4
175.03984	0.7
175.07619	2.0
175.11182	0.4
177.05440	0.7
177.09106	0.8
179.07025	2.0
179.08557	1.6
181.06505	1.0
181.10138	1.5
182.07297	1.5
183.08063	2.8
183.11662	1.6
184.08846	1.1
185.05966	1.4
185.09608	3.7
185.13257	0.8
186.06700	0.3
187.03940	0.4
187.07568	4.8
187.11182	2.2
189.05457	0.6
189.09192	2.0
191.07045	0.7
191.10640	0.4
193.10173	1.3
195.08092	0.9
195.11708	1.0
196.08821	0.9
197.05960	2.0
197.09608	5.6
197.13235	0.4
198.06757	0.9
198.10376	0.7
199.07544	5.6
199.11195	2.8
200.08177	0.4
201.05429	0.8
201.09129	2.0
201.12743	0.7
203.07033	1.5
203.08745	0.5
203.10600	0.6
205.08600	2.2
205.10297	0.8
207.06447	1.0
207.08093	0.8
207.10033	0.7
207.11789	0.8
208.08876	0.7
209.06026	1.4
209.09627	1.5
209.13298	0.5
210.10284	0.5
211.07582	2.0
211.11276	1.0
212.08290	1.0
213.05672	0.6
213.09097	5.6
213.12752	1.2
214.09830	0.7
215.07008	2.2
215.10646	3.1
216.09396	0.4
217.08527	3.0
217.10451	0.4
217.12268	0.9
218.10898	0.5
219.06401	0.6
219.08359	0.5
219.10143	1.0
219.11826	0.9
221.09723	0.7
221.13347	0.5
222.10439	0.4
223.07542	1.0
223.11249	0.9
224.08330	0.5
225.05624	2.6
225.09093	6.5
226.09756	0.5
227.07097	1.9
227.10690	1.0
229.08533	1.2
229.12134	0.6
230.10934	0.5
231.06473	0.8
231.09802	1.6
233.07939	0.7
233.09917	0.6
233.13280	0.5
234.06699	0.4
234.10487	0.4
235.07567	0.6
235.09579	1.2
235.11432	0.8
236.11807	0.4
237.09091	1.3
237.12791	0.6
238.09843	0.4
239.07072	0.5
239.10680	1.3
241.08575	7.4
241.12317	0.7
243.06406	1.7
243.10031	3.9
244.07135	0.8
244.12512	0.5
245.07803	2.2
246.10489	0.6
247.09370	1.8
249.09082	0.8
249.12831	0.6
251.07085	0.6
251.10678	1.4
251.14323	0.5
253.08572	1.1
253.12344	0.4
255.06284	0.4
255.10072	2.2
257.08078	24.5
258.08890	1.4
259.09616	12.3
261.08987	0.5
261.11292	0.4
261.16470	0.5
263.10818	0.6
263.14319	0.4
265.10669	0.8
267.10028	0.8
269.08121	1.2
269.11847	0.5
271.09454	2.1
273.11374	1.3
275.08890	1.7
277.10657	0.4
279.13815	0.4
283.09546	0.8
285.11215	4.5
286.13431	0.4
287.09253	0.5
291.10132	0.5
291.13675	0.4
293.11707	0.7
295.09915	0.4
297.11197	0.6
299.10190	0.4
301.10681	12.3
303.12244	7.2
303.17358	0.4
307.09735	0.4
307.13205	0.4
311.12799	0.4
315.13312	0.4
319.11783	4.4
321.10843	0.4
323.13034	0.4
329.15350	0.7
331.12766	0.6
331.16949	0.4
333.14944	0.7
333.18546	0.3
335.12714	0.4
339.13184	0.5
341.15121	0.4
343.13123	0.7
347.16418	0.7
349.17957	0.7
357.14441	1.4
359.12314	0.5
359.16367	0.8
361.14291	0.5
371.12994	0.8
375.15747	1.3
377.17422	1.3
385.14200	1.9
391.15155	1.3
393.16882	0.7
395.13663	0.4
395.18539	1.6
401.13589	1.6
403.15311	2.8
407.14938	0.4
413.13766	1.0
417.16864	0.4
419.14438	1.6
421.16464	2.5
423.14331	0.6
423.21643	0.3
431.14993	2.3
433.16379	1.3
435.17944	0.5
437.15512	1.0
439.17368	2.3
445.16522	2.0
449.09894	0.5
449.15900	7.6
451.16635	1.9
453.19226	0.5
455.16620	0.9
463.17572	6.5
467.16879	1.3
475.17523	0.7
481.18536	8.7
499.19678	5.7
581.20831	0.4
587.22546	2.1
609.85889	0.4
611.22778	2.6
615.21686	0.9
629.23737	4.2
647.25049	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.8
51.17838	0.5
53.03953	2.6
55.01881	3.3
55.05505	1.4
60.52843	0.5
65.03935	0.7
66.52556	0.5
67.05510	3.3
69.03419	1.9
69.23447	3.6
69.93523	0.4
77.03939	1.1
79.05509	5.8
81.03432	3.9
81.07047	2.2
83.01306	0.4
83.04973	1.9
85.02884	0.6
91.05499	5.6
93.03445	0.5
93.07052	3.2
95.01344	1.4
95.04980	9.3
95.08613	2.6
97.02878	1.7
98.21582	0.9
102.04674	0.7
103.05479	48.1
105.03423	2.3
105.04516	1.8
105.07040	15.4
107.04962	2.0
107.08600	1.5
108.62179	0.5
109.06535	2.9
109.10133	0.8
109.97044	0.4
111.04475	0.6
115.05441	3.8
117.07037	3.1
119.04970	1.4
119.08595	3.7
121.02904	0.8
121.06511	2.9
121.10135	0.7
123.04453	1.3
123.08082	1.6
125.05982	0.6
128.06230	4.9
129.07030	5.3
131.04942	100.0
131.08571	3.8
132.05260	0.6
133.06509	14.4
133.10133	1.3
135.04419	1.1
135.08057	2.6
137.05966	2.9
141.06976	4.1
142.07774	4.8
143.08572	12.6
144.05710	0.9
145.06516	4.1
145.10141	2.6
147.08069	3.6
149.05988	2.3
149.09610	0.7
151.07591	1.7
152.06248	1.0
153.07053	1.6
154.07774	2.2
155.08594	4.1
156.09367	10.2
157.06529	2.6
157.10170	6.6
158.07318	1.7
159.08118	4.9
159.11761	2.6
161.05997	22.9
161.09669	1.8
162.06744	0.5
163.07622	3.5
165.05661	0.8
165.06982	2.4
166.07825	2.1
167.08569	2.5
168.09384	1.1
169.06517	4.4
169.10150	9.1
170.07295	1.5
170.10976	1.3
171.08072	5.3
171.11717	10.7
172.08899	1.1
173.06038	1.1
173.09648	3.1
173.13315	1.2
175.07576	2.0
177.05534	1.0
177.09132	0.7
178.07753	1.3
179.07074	2.8
179.08641	2.9
180.09409	0.8
181.06566	0.7
181.10110	4.1
182.07390	1.5
183.08105	6.1
183.11774	2.0
184.08853	7.8
185.06015	0.7
185.09645	5.4
185.13289	1.6
185.44788	0.5
187.07591	1.3
187.11154	2.3
189.09137	1.0
189.12827	0.7
191.07101	0.5
191.08629	0.6
193.10179	2.5
194.07260	0.6
194.11032	0.8
195.08017	2.3
195.11758	1.8
196.08832	1.3
197.06004	0.9
197.09651	10.2
197.11357	0.9
197.13367	1.0
198.10487	1.6
199.07494	2.4
199.11205	49.7
200.11647	0.6
201.09196	1.7
201.12729	0.9
205.08636	0.6
206.11087	0.7
207.08128	1.6
207.11766	1.5
208.08870	0.6
209.09627	2.9
209.13361	1.0
210.10431	1.0
211.07693	2.6
211.11186	2.8
211.15030	0.5
212.08484	1.0
213.09155	5.6
213.12743	1.2
215.08699	1.0
215.10640	6.0
216.09462	0.6
217.08527	1.0
217.10338	1.1
217.12329	1.8
219.08179	0.7
221.09677	2.8
221.13257	1.0
222.10390	1.0
223.07686	1.4
223.11134	2.4
224.08385	0.6
225.05681	0.8
225.09131	12.2
225.12677	1.1
227.07146	0.5
227.10680	2.5
229.08514	0.8
229.12314	1.0
231.11841	0.8
233.09729	1.3
233.13445	0.8
234.10408	0.7
235.07617	1.6
235.11313	2.0
236.08513	0.7
237.09242	1.7
237.12898	1.5
239.07008	0.8
239.10692	2.7
241.08495	2.8
241.12328	0.7
243.10104	5.7
245.07996	0.8
245.13470	0.6
247.11208	1.2
249.09180	2.5
249.12935	0.6
250.10117	1.0
251.07101	0.7
251.10793	1.6
253.08669	1.1
253.12465	1.5
255.09955	3.0
255.14018	0.9
256.12622	0.7
257.07877	2.5
257.11655	4.0
259.09583	1.3
260.12036	0.7
261.12991	0.8
263.10855	0.9
263.14413	1.1
265.08765	0.6
265.12405	0.6
267.09991	2.5
269.08023	0.8
270.10437	0.8
271.09561	6.9
272.12051	0.6
273.11203	0.9
274.13641	0.9
275.10605	0.9
275.14728	0.6
277.15826	0.6
279.10452	1.1
281.11890	1.9
284.11951	0.5
285.11133	4.8
287.14417	1.0
289.16064	0.9
291.10245	0.8
291.14035	0.6
293.15344	0.6
299.10696	0.6
299.14307	1.0
301.10602	2.5
301.15924	0.7
303.12286	3.7
305.15533	1.0
309.11520	1.8
313.12299	1.0
313.15906	0.7
314.13132	0.5
315.14053	0.9
317.15427	1.1
319.12189	1.5
319.16901	0.6
329.15536	1.8
331.13501	0.9
331.16931	2.9
333.15161	0.6
333.18777	1.0
335.16629	0.7
344.67432	0.5
345.14975	1.3
347.16660	2.1
349.18143	2.0
355.13568	1.5
357.14932	1.4
359.12579	0.9
359.16559	2.3
365.17694	0.6
373.14328	3.5
375.16141	1.6
377.13773	0.8
377.17593	3.2
385.14575	1.4
387.15924	1.1
391.15723	1.5
395.13828	0.8
395.18649	5.2
401.14120	1.5
403.15759	1.8
405.16830	2.3
409.16345	0.6
413.14072	0.6
415.15768	1.6
417.17389	1.4
419.14893	0.8
421.16806	2.0
431.15240	0.9
433.16553	13.7
435.18451	0.8
439.17508	4.0
445.16721	1.4
449.16248	1.4
451.17740	2.9
453.19324	0.7
463.17511	5.3
463.22559	0.5
467.16998	0.7
469.18475	3.3
475.18198	1.4
481.18665	4.9
499.19781	3.1
543.23956	1.1
579.21295	0.6
587.22693	4.4
611.23248	2.3
629.24060	2.9
647.27490	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	647.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
56.96296	1.2
56.96564	17.3
57.03422	2.2
61.02912	2.3
68.96566	0.7
69.03130	0.6
69.03433	6.7
70.06578	0.5
71.95252	1.2
73.02901	2.1
77.43780	0.5
79.05505	0.9
81.03434	2.5
81.07025	0.5
84.08106	0.5
84.96033	5.4
85.02429	0.8
85.02913	14.0
86.03213	1.0
87.04459	1.5
91.03951	0.8
91.05481	1.3
97.02895	6.9
97.06489	0.8
97.47343	0.5
97.96815	0.5
98.97588	76.7
99.04431	1.6
103.03963	0.6
105.03436	0.6
106.07153	0.5
109.02885	1.5
110.97575	19.2
112.99136	1.2
115.03968	0.8
116.98632	22.2
117.03403	0.9
119.01853	1.6
119.04951	1.5
124.99109	19.7
125.06002	2.0
127.03938	5.5
128.04305	0.7
128.97681	0.9
128.98621	15.7
131.00182	1.1
134.99692	3.5
135.44987	0.5
136.07556	0.8
137.05981	0.8
137.99112	0.7
139.00687	0.7
140.00214	0.6
140.98605	6.2
141.02275	2.0
143.00175	61.5
143.01959	1.9
144.98112	1.2
145.01733	1.2
145.02849	1.8
145.05020	3.6
146.99686	7.6
147.04385	6.4
148.04683	0.7
149.05963	0.8
152.05685	1.9
152.98605	4.7
152.99660	0.9
155.00136	1.2
156.98108	0.7
157.01727	1.9
158.99664	35.5
159.03300	5.2
159.04886	1.3
159.06453	0.6
160.00468	0.7
161.01234	61.2
161.02791	2.0
161.08090	1.7
162.99100	0.9
163.02730	0.6
163.03957	1.7
168.00180	0.9
168.05424	2.9
168.55681	0.8
169.03380	0.8
170.99667	26.0
173.01204	1.8
173.02914	0.9
174.99123	0.5
175.02797	1.3
177.00734	19.7
177.04301	2.9
177.05673	4.2
179.02295	10.7
181.00946	0.6
181.04536	1.8
182.03429	2.0
182.53651	0.7
182.99657	20.2
183.03287	0.8
183.05081	0.7
184.02930	1.1
185.01230	60.7
187.02759	1.7
187.04538	3.2
188.01633	0.6
188.04720	0.5
189.00719	18.2
189.04308	1.5
190.04967	7.8
190.55064	1.8
191.02357	0.6
191.03879	1.3
194.99704	1.6
195.01714	0.7
199.02794	1.3
201.00722	54.2
201.04311	4.5
203.02286	100.0
205.03848	1.1
206.04337	0.7
206.99820	0.7
207.01833	1.5
211.02589	0.9
213.00749	5.4
215.02261	4.0
217.02019	1.0
217.03897	1.3
219.01785	44.0
219.05403	2.6
220.02271	1.6
221.03371	15.1
221.05382	1.3
224.02336	0.6
226.04019	2.7
227.02219	1.1
229.03868	0.9
231.01727	4.8
231.05396	0.9
232.02559	0.7
233.03383	5.3
237.00493	1.4
237.02834	18.3
238.02992	0.8
239.04402	1.1
242.03488	1.2
243.01793	21.4
245.03314	35.7
247.04958	0.7
251.04500	1.2
255.01776	1.2
255.04063	1.0
257.03314	1.1
259.04837	0.9
261.02832	79.3
262.03534	1.4
262.07007	3.6
262.57263	1.9
263.04364	18.1
269.03564	1.0
271.07623	5.7
271.57822	4.7
272.07819	1.2
273.02765	5.6
273.08234	1.2
275.04367	1.5
279.03903	32.9
286.06030	1.2
287.04343	3.8
289.06079	1.1
291.03848	10.9
291.06879	0.9
302.05646	1.5
305.05438	29.2
305.55542	1.3
307.06937	0.8
309.05063	1.1
309.08521	1.1
314.05734	0.7
315.08578	1.6
319.07080	1.0
321.01102	1.1
321.04950	27.8
323.06516	31.2
325.08936	0.9
329.05380	0.8
333.04971	3.6
334.12177	0.6
337.07965	0.8
341.07516	7.7
342.10666	5.4
342.60883	3.1
343.10867	2.4
344.11346	1.1
345.10437	1.0
346.08096	0.6
347.06451	10.0
351.05991	7.4
351.09790	1.0
352.10257	12.0
352.60422	12.6
353.09995	4.0
353.60434	1.0
354.10318	1.1
359.06534	1.2
361.07999	1.7
362.09421	0.8
365.07568	48.5
377.07535	11.4
379.09189	3.5
380.09497	1.2
381.07089	14.9
389.07516	1.1
395.08563	10.5
399.08115	9.9
407.08585	9.9
419.08731	1.6
423.07925	1.1
425.09677	7.0
431.08685	1.0
437.09494	3.1
441.09198	26.1
449.09634	10.1
458.63077	0.8
463.10352	1.2
466.61777	0.8
467.10779	38.7
476.11417	2.4
485.11816	12.1
501.10574	0.8
509.11954	2.8
527.12885	3.2
557.13531	1.0
622.69116	0.6
629.15710	5.6
647.17078	64.5
648.17120	1.1
673.33142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.3
55.56593	1.3
56.12751	1.5
56.96323	1.9
56.96562	18.7
57.03432	2.3
61.13234	1.5
65.03943	1.7
65.45484	1.5
66.38021	1.6
69.03429	10.2
69.69007	8.3
70.06601	2.2
73.02874	1.9
78.20326	1.7
81.03374	2.7
83.04942	1.7
84.08128	2.0
84.96015	5.3
85.02907	18.8
89.03904	2.1
97.02881	8.4
98.97585	70.2
109.02872	2.4
110.97566	21.1
112.99148	1.9
116.07076	2.8
116.98618	21.5
117.03349	3.4
119.01900	3.5
119.04924	3.3
120.01952	1.6
120.20567	1.4
121.01715	1.5
124.99102	15.7
125.05962	3.1
127.03906	8.7
128.04303	1.6
128.98613	16.6
131.00131	1.7
131.01859	2.6
134.99673	1.9
137.05988	2.9
140.98595	8.8
141.02255	1.8
143.00163	60.8
143.01921	6.9
145.01691	3.8
145.02837	8.6
145.04961	5.0
146.08206	2.3
146.99628	5.8
147.04387	6.5
152.98665	3.7
155.01894	4.2
157.01689	2.5
157.03539	2.0
158.99644	29.8
159.03278	4.4
159.05025	2.7
161.01222	59.3
161.02885	4.4
163.03943	4.9
163.83330	1.5
169.03435	2.2
170.99663	25.3
171.05020	3.2
173.01402	1.8
173.02922	3.7
175.02724	2.7
175.04350	1.8
177.00699	21.8
177.04486	1.7
177.05534	13.4
179.02252	9.7
181.04994	20.1
182.05144	1.5
182.99634	19.5
183.05026	3.1
185.01216	56.6
185.02786	2.3
185.06609	2.7
185.91666	1.6
187.02768	3.5
187.04530	6.1
189.00728	18.3
189.04311	3.2
189.06049	3.8
194.99666	2.5
199.02820	1.7
201.00699	51.0
201.04323	4.9
201.06082	6.2
203.02286	100.0
203.03917	3.7
207.06479	2.3
212.02338	1.6
212.69547	1.5
213.00760	5.1
215.02225	5.1
217.03703	2.0
219.01772	49.3
220.02251	1.9
220.05232	1.6
221.03296	16.3
221.05125	3.3
223.04764	2.5
226.03850	4.1
229.03690	1.9
229.05687	2.0
231.01762	5.1
231.05380	2.5
233.03302	5.9
235.04608	2.4
237.00735	3.4
237.02821	21.6
242.03381	1.7
243.01765	21.3
245.03218	38.1
247.04799	4.1
261.02805	83.7
262.06931	1.8
263.04321	16.2
272.06601	1.8
273.02789	7.1
273.08398	3.3
275.04422	2.5
279.03897	35.6
281.07117	2.1
284.04694	1.6
286.06006	2.5
287.04407	2.9
291.04010	12.2
291.09183	4.8
302.05554	1.7
303.03650	1.6
305.05408	24.5
305.08688	1.7
321.04932	31.5
321.10425	2.4
323.06616	34.4
323.10168	5.8
329.05289	1.8
331.02890	2.0
333.04907	2.5
341.07483	7.7
347.06549	12.0
351.06110	10.2
362.09775	2.6
365.07474	55.3
365.11322	3.4
377.07654	13.0
381.06979	14.0
391.05240	1.8
395.08453	9.8
399.08121	9.7
407.08658	11.3
425.09656	6.3
437.09454	5.2
441.09067	26.1
449.09518	9.8
455.13574	3.4
467.10660	42.1
485.11615	12.0
509.11737	4.5
527.12305	4.6
537.14386	4.2
629.15930	8.2
647.16895	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	646.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82649	1.0
53.03945	3.9
55.01869	1.5
55.05514	17.1
56.38847	0.8
57.03197	0.8
57.03444	10.5
57.07075	2.2
65.03931	3.2
65.11616	1.0
67.05508	70.8
69.03438	1.1
69.07070	15.5
70.35897	0.9
71.04993	1.8
79.05496	54.9
81.07060	67.4
83.04980	2.2
83.08629	7.5
85.06530	1.7
91.05482	37.4
93.07048	63.2
95.04968	4.4
95.08610	50.7
97.06527	2.9
97.10179	1.7
98.21268	5.3
99.08148	1.0
105.04559	1.2
105.07028	20.2
107.08598	27.3
109.06515	1.6
109.10160	14.5
111.08105	1.7
117.07034	9.7
119.08588	17.8
121.10149	40.9
123.08084	1.8
123.11696	3.7
129.07013	1.6
131.08580	13.9
133.10138	15.2
135.11711	20.4
137.09647	1.0
137.13289	1.3
143.08566	2.2
145.10136	10.7
147.11703	10.5
149.13266	6.5
151.11273	0.8
157.10133	1.8
159.11690	8.4
161.13237	5.3
163.11205	0.9
163.14798	1.2
171.11697	2.6
173.13239	5.2
175.14830	3.1
177.12775	3.1
185.13278	3.2
187.14803	1.8
199.14796	1.1
199.99187	0.8
219.44913	0.8
226.19560	0.9
241.19569	4.4
243.21138	1.8
257.18988	2.1
259.20602	16.6
261.22144	6.3
277.21637	9.0
315.23309	1.6
317.24704	0.9
333.24280	12.3
335.25809	100.0
337.27097	1.6
351.25308	36.9
541.31049	1.0
593.45496	2.7
611.46722	25.6
646.47449	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	646.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.8
53.03949	5.4
55.05310	2.0
55.05519	22.1
57.03428	8.7
57.07076	3.4
65.03928	5.8
67.05509	100.0
67.05877	4.8
69.07069	19.8
71.04962	3.0
79.05066	3.7
79.05496	67.9
81.06584	4.0
81.07059	69.9
83.08627	16.1
90.02174	2.5
91.05489	47.0
93.07047	78.8
95.04988	6.4
95.08057	3.9
95.08613	54.2
97.06512	3.1
97.10188	4.6
99.08064	2.8
105.07046	23.0
107.08598	30.8
109.10172	20.1
111.08089	3.0
117.07015	9.9
119.08579	22.7
121.10153	57.3
123.11706	7.6
129.07010	4.5
131.08589	19.0
133.10143	26.2
135.11691	23.0
143.08607	2.9
145.10127	13.8
147.11682	14.7
149.13239	8.4
152.31482	2.2
159.11719	14.0
161.13264	8.8
163.14839	4.3
171.11684	5.0
173.13248	6.1
175.14838	3.7
194.75215	2.3
195.13847	3.1
227.36359	2.2
241.19548	8.3
243.21053	3.6
257.18970	3.1
259.20581	25.1
261.22208	6.1
277.21680	11.7
293.92148	2.6
315.23154	4.1
317.24579	3.5
333.24356	14.3
335.22046	3.9
335.25836	64.4
341.30566	2.4
351.25272	25.2
593.45984	11.3
611.46747	76.3
646.47504	2.5
677.95642	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.6
55.01862	6.3
55.05273	2.1
55.05513	34.7
57.03441	15.8
57.07066	2.0
65.03947	3.0
67.05508	58.4
69.03424	4.6
69.07069	15.8
69.54939	8.0
69.55348	4.2
71.04984	7.5
71.08635	13.9
79.05499	50.1
81.03423	83.1
81.06584	3.3
81.07063	64.3
83.04980	13.6
83.08625	31.5
85.02918	2.9
85.06535	3.2
91.05486	48.2
93.07053	47.6
95.04971	36.3
95.08614	23.1
97.02873	4.6
97.06532	9.8
97.10178	18.7
99.08086	8.0
103.05475	18.1
104.05818	3.4
105.03401	16.3
105.04516	3.4
105.06386	3.0
105.07039	35.8
107.04960	10.4
107.08598	29.7
109.06523	9.6
109.10180	12.6
111.08086	10.2
115.05438	4.0
117.07018	12.7
118.07292	2.4
119.08585	32.2
121.06517	6.7
121.10145	20.6
123.08064	5.7
123.11734	2.6
125.09632	15.0
128.06230	2.8
129.07030	16.5
130.07677	1.9
131.04948	32.7
131.08569	27.0
132.05225	10.1
133.06461	8.4
133.10124	21.0
135.08087	9.1
135.11684	10.8
136.44627	1.8
137.09607	4.5
139.11174	2.2
141.07004	3.7
142.07745	4.9
143.08545	8.7
145.06470	7.2
145.10136	14.3
147.08038	16.5
147.11693	11.8
148.08340	3.4
149.09636	10.9
149.13231	10.5
151.11249	10.7
153.09053	3.2
155.08559	3.9
156.09361	2.5
157.10144	17.2
158.10478	2.1
159.08086	6.2
159.11664	14.8
160.08469	2.3
161.09581	5.4
161.13304	6.4
162.10150	2.0
163.07491	5.1
163.11200	7.9
165.12744	5.4
167.08478	2.2
169.10118	6.5
171.11685	12.3
172.12068	3.8
173.09644	5.0
173.13258	2.5
175.07460	2.9
175.11160	10.0
175.14792	3.3
177.12744	5.6
179.08597	1.9
179.14369	2.9
183.11652	7.9
184.03830	1.7
184.12033	2.1
185.09575	2.5
185.13261	10.3
186.09935	2.0
186.13576	2.9
187.11200	3.9
189.11191	6.7
189.12694	2.1
193.12271	25.0
195.11659	2.2
196.12114	2.2
197.13274	4.0
198.10414	2.3
199.11118	4.9
199.14830	2.4
201.12830	3.3
209.13274	4.2
211.13112	2.3
213.12636	4.0
214.13121	2.9
221.12952	1.8
223.11163	2.1
227.12798	21.2
229.12256	3.1
231.13840	2.3
233.15384	2.9
235.14998	1.8
245.13582	4.1
246.15688	2.1
249.14839	2.8
267.15933	71.2
269.17511	26.5
271.11322	1.9
275.19958	2.9
277.21689	13.8
287.14285	2.4
299.14063	2.2
341.18958	2.6
351.25562	18.3
369.24371	6.5
371.25757	2.5
387.20120	2.3
387.25253	3.5
402.21515	2.4
405.20624	2.7
419.23938	2.6
420.22614	3.4
437.25137	7.9
443.27832	11.9
445.29129	3.4
447.27289	8.2
461.28998	100.0
462.29584	1.8
469.33432	2.9
487.34622	3.0
493.31723	13.8
543.36816	37.2
561.37891	9.6
593.40143	4.9
646.44232	1.9
647.32745	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	646.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.4
55.01847	6.0
55.05513	61.7
55.90889	4.4
57.03428	3.9
57.07063	4.8
60.08175	4.0
60.10790	4.3
62.58258	4.0
67.05500	13.6
69.07064	7.0
70.06579	6.7
71.04967	6.8
71.55984	6.7
77.03934	5.3
79.05485	18.1
81.07048	17.0
83.04981	100.0
88.21963	4.6
91.05479	51.7
93.07050	23.2
95.04942	23.5
95.08591	16.2
97.06567	5.6
103.05476	40.0
105.03387	44.5
105.04510	6.3
105.07037	55.4
107.04929	10.5
107.08585	18.9
109.06503	16.2
115.05454	15.9
117.07014	31.3
119.08580	93.9
120.08907	7.6
121.06496	6.7
121.10162	8.2
123.04475	6.4
128.06244	10.0
129.07001	13.0
130.07832	5.2
131.04927	66.7
131.08530	38.2
132.05247	6.3
132.08932	5.6
133.06480	17.3
133.10139	35.2
135.08055	16.1
137.79155	4.9
142.07761	15.9
143.08565	34.6
144.09084	4.3
145.06470	20.0
145.10109	27.2
147.08101	26.9
148.08368	5.0
149.09615	19.6
151.07559	5.6
154.07672	4.2
155.08551	30.5
156.09244	16.2
157.10149	68.0
158.10574	10.8
159.08090	23.9
159.11711	38.5
160.12010	7.5
161.06009	13.1
161.09596	21.2
162.06355	5.5
163.07527	36.2
165.06990	9.2
167.08501	7.6
168.09325	10.6
169.10121	34.6
170.10829	16.1
171.08064	7.1
171.11707	53.8
172.12105	8.5
173.05939	9.4
173.09608	26.0
173.13275	13.7
175.07535	14.3
177.09119	44.3
178.09521	9.0
179.07036	5.6
179.08525	13.0
180.09203	7.1
181.10146	15.9
182.10979	5.2
183.08087	8.0
183.11707	75.3
184.07263	9.3
184.12111	20.0
185.09631	20.0
185.13188	32.0
186.13689	5.4
187.07614	7.4
187.11172	19.2
189.09094	15.2
191.07051	15.0
191.10632	8.0
193.10115	21.1
193.12225	12.1
194.10840	14.1
195.11662	17.6
197.09673	13.8
197.13246	14.3
198.10219	4.6
199.07607	6.2
199.11143	19.1
200.11729	6.0
200.20117	7.7
201.09158	9.0
201.12740	13.2
203.10596	8.7
205.08487	10.7
205.10263	10.7
206.10927	6.2
207.11676	34.8
208.12303	17.6
209.09561	7.7
209.13155	13.7
211.11176	18.1
212.11568	6.5
213.09149	9.0
213.12740	20.5
214.18108	6.9
215.10631	12.0
216.09265	5.5
217.12204	8.2
219.11751	11.5
220.12337	12.5
221.13222	34.9
222.13844	13.0
223.11221	6.0
223.14789	14.9
224.11591	5.3
225.09067	7.6
225.12732	9.8
227.10666	7.8
229.10243	9.2
229.12115	22.0
230.10796	9.0
231.11819	8.3
231.13832	8.8
232.12370	14.3
233.13229	11.0
233.15340	10.8
234.13876	6.8
235.11070	7.3
235.14778	19.2
236.11839	6.5
237.12660	5.9
239.10713	7.4
241.12297	10.9
242.10965	6.5
243.11632	13.2
243.13869	11.0
244.12288	15.5
245.13135	14.0
246.13911	6.8
247.11238	8.8
247.14891	16.0
248.15326	7.5
249.12718	7.2
253.10054	5.9
255.11755	7.5
255.14027	8.8
256.12341	12.6
257.13373	10.1
258.13983	8.5
259.10995	7.3
259.15091	9.4
261.12659	8.2
262.13232	5.1
267.13855	8.6
269.13123	7.4
270.13989	14.2
270.63138	4.6
271.11115	5.9
271.14728	20.4
272.15509	10.6
273.12619	8.7
273.16534	5.6
274.13419	7.0
274.16614	7.5
275.14261	8.9
279.13684	10.4
284.15549	10.2
285.12668	8.1
285.16302	14.4
286.16876	7.8
287.14197	13.8
287.17813	5.1
288.15210	5.6
289.11978	6.8
289.15561	7.9
290.16150	7.2
291.13742	5.6
298.13315	6.5
299.17953	9.2
301.12228	5.6
303.13754	15.0
303.17096	8.6
304.14453	5.6
305.15411	6.0
312.14795	6.1
315.13593	5.7
316.14407	6.5
317.15302	10.4
317.18881	9.1
318.15723	6.0
319.16867	10.7
321.15002	8.8
321.18466	17.0
327.17456	9.9
329.15253	11.8
330.15884	14.5
331.16934	57.5
332.17230	14.0
333.18515	7.3
335.20285	5.9
341.15384	6.5
344.17410	7.6
345.14606	3.9
345.18503	66.1
346.18796	9.7
347.16382	9.9
349.17908	26.2
355.16907	6.5
357.18558	7.5
359.16229	8.9
359.20291	11.0
362.18463	5.6
363.19434	28.8
364.19965	5.6
369.18243	8.0
373.17908	55.9
374.18359	15.7
387.19516	16.9
389.17197	6.8
391.19070	51.7
391.35928	4.6
393.20538	10.7
395.22137	14.0
401.17361	5.7
403.19098	5.3
404.19904	6.8
405.20657	84.3
406.20880	9.3
408.18427	5.8
419.18506	17.1
420.18204	8.0
421.19922	9.2
422.19894	6.6
423.21634	67.5
424.22623	4.9
433.20169	24.7
434.20035	5.1
437.19705	9.8
440.21243	5.1
441.22583	25.1
451.21310	33.9
469.22290	24.8
471.36325	4.7
482.18951	7.9
487.23190	8.1
508.21335	5.8
511.23419	9.1
514.21722	5.0
568.22668	20.9
573.23175	6.4
586.23438	15.3
587.24249	7.2
646.23773	29.6
657.28259	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	646.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.5
55.01876	18.3
55.05515	69.7
63.56367	3.3
67.05511	14.3
69.03419	6.4
69.07077	4.0
69.19477	25.6
71.04985	2.9
79.05495	20.0
81.03417	14.3
81.07062	15.6
83.04484	5.4
83.04984	100.0
88.58676	3.4
91.05478	27.7
93.07045	12.2
95.01337	20.1
95.04984	19.5
97.06538	5.3
98.20741	5.9
99.66351	2.8
103.05489	10.7
105.03383	4.4
105.07026	23.5
107.04953	8.2
107.08604	12.8
109.06580	4.0
115.05466	12.5
117.07059	20.7
119.08588	40.8
121.06516	7.6
121.10144	7.2
123.08032	2.9
128.06253	4.0
129.07010	26.0
130.07751	5.2
131.04953	11.9
131.08580	20.4
133.06514	8.0
133.10149	11.3
135.08041	6.0
135.11708	5.1
141.06993	4.4
142.07726	7.1
143.08591	19.9
145.06514	19.7
145.10182	14.8
147.08051	91.8
149.09666	14.0
149.13324	3.8
155.08559	9.9
156.09348	13.0
157.06451	5.4
157.10143	58.2
158.10875	3.6
159.08054	38.7
159.11708	25.1
161.05980	4.0
161.09634	19.7
163.07535	42.6
165.06969	4.2
168.09357	4.9
169.10155	18.1
170.10921	5.3
171.08066	12.3
171.11700	57.4
173.05928	6.1
173.09604	26.9
173.13242	6.7
175.07556	36.1
175.11165	7.3
179.08572	4.8
181.06633	3.0
181.10146	6.8
183.08188	3.7
183.11722	47.0
184.08894	4.5
185.09587	15.4
185.13290	12.4
187.07463	3.7
187.11151	16.1
189.09068	5.8
191.70618	2.9
194.10875	5.5
195.11711	10.6
197.09634	14.4
197.13187	6.9
198.10336	4.6
199.11195	27.2
201.09138	9.1
201.12761	7.4
203.07095	3.5
203.10645	5.4
207.11737	6.3
209.09645	8.7
209.13289	6.5
211.11191	11.7
213.09233	6.4
213.12781	34.3
215.10773	4.8
216.09483	5.2
217.08537	5.0
217.12286	8.7
219.11751	4.2
220.12492	5.6
221.13342	9.7
223.11171	8.4
225.12846	4.4
227.10684	15.1
229.12268	10.3
231.10201	5.9
231.13716	17.8
232.12465	4.1
233.09612	4.4
233.15411	4.2
235.11137	4.7
235.14874	5.0
237.12750	8.8
239.10684	5.5
241.12247	3.7
243.13828	5.1
249.12709	4.4
249.14957	7.9
256.12393	3.5
257.13339	4.3
259.13116	15.1
261.12741	7.6
263.14337	3.9
265.12396	6.2
267.13968	5.1
270.14185	4.6
273.12424	4.0
273.14929	11.6
275.14420	5.5
277.14340	3.3
283.11002	3.4
285.12595	4.2
286.13446	3.7
287.14178	2.9
288.14929	3.4
289.15881	5.5
289.94745	3.2
291.16214	6.2
297.13019	4.3
299.14026	3.8
301.16037	6.0
303.17392	5.6
305.13950	3.4
308.85226	3.7
313.15918	12.3
314.16599	3.3
315.17426	9.9
316.14529	3.1
319.42593	3.6
323.16263	3.7
327.13986	3.9
327.17529	13.8
329.19034	6.7
331.16934	10.0
345.18613	8.8
349.17715	3.5
355.16882	8.6
357.18607	4.2
359.16437	7.9
373.18051	21.3
377.17130	3.9
377.21518	5.3
379.22726	4.2
387.19537	8.2
389.21207	9.4
391.19086	9.9
401.17404	8.3
405.20648	35.9
407.22250	7.3
409.20279	4.1
419.18460	11.7
423.21716	26.6
433.20126	27.7
437.19290	6.9
443.39578	3.3
449.28757	17.8
451.21204	41.5
469.22333	27.1
479.20401	6.6
487.23721	4.3
493.21933	4.3
497.21417	7.4
511.23428	28.2
521.63232	4.0
529.24133	13.6
548.38446	3.4
551.26556	29.9
569.27319	4.6
579.25964	16.4
593.27679	14.0
605.27338	21.8
611.28717	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98658	0.6
55.05513	0.7
57.03434	0.7
57.07072	2.2
67.05499	2.0
69.07053	1.1
70.35356	0.5
70.66831	0.7
70.67177	1.3
71.08629	1.5
79.05476	0.9
81.07051	2.4
85.10162	0.7
89.06035	0.7
93.07045	1.0
95.08612	1.8
97.06528	0.5
98.84594	0.5
109.10162	1.1
198.58376	0.5
207.32785	0.5
215.40364	0.5
234.50154	0.5
313.27399	0.9
333.20343	5.6
389.22968	4.1
533.41394	0.8
645.47021	100.0
646.47375	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.8
51.02381	1.5
53.03952	5.4
55.01871	2.6
55.05514	21.4
55.93916	0.7
57.03442	11.8
57.07077	1.2
65.03945	5.6
67.05508	87.9
69.03430	0.9
69.07070	17.9
69.49864	3.3
69.50285	1.7
71.04995	14.2
71.79919	0.7
75.04501	1.1
77.03922	1.4
79.05496	95.0
80.05811	0.8
81.03415	1.3
81.07059	79.5
83.04990	4.6
83.08618	8.6
85.06549	3.7
91.05486	71.7
92.05770	0.8
93.07047	92.7
95.04978	7.9
95.08610	52.5
95.75047	0.7
97.06519	7.0
97.10173	3.3
98.20735	1.0
99.08107	2.3
103.05475	2.1
105.04544	3.2
105.07036	51.3
107.08598	48.6
109.06535	3.3
109.09457	1.5
109.10164	19.1
111.08092	3.0
115.05458	2.6
117.07018	18.4
119.08586	36.3
121.06552	1.3
121.10150	55.7
123.08066	2.7
123.11742	3.8
125.09631	1.9
128.06224	1.1
129.07024	7.2
131.08571	25.4
131.09514	1.6
133.10135	32.4
135.08052	1.5
135.11700	38.0
137.09625	2.8
139.11189	1.6
141.06963	1.6
142.07806	1.3
143.08571	8.4
145.10136	20.8
145.11293	1.4
147.11694	21.2
149.09573	1.4
149.13258	11.1
151.11169	1.5
157.10141	8.4
159.11700	17.0
161.09650	0.9
161.13257	9.2
163.11185	2.5
163.14888	3.2
165.12791	1.6
169.10141	1.0
170.10922	0.8
171.11682	9.5
173.11931	1.1
173.13295	7.7
175.11182	1.0
175.14809	5.2
177.12755	2.5
179.14247	1.0
183.11690	0.8
185.13231	6.6
187.14873	2.1
189.12668	1.2
189.16519	0.9
195.13878	1.8
197.13420	0.9
199.14830	4.0
211.14986	0.9
213.16518	1.4
215.17978	1.0
217.15901	1.1
231.21167	1.3
235.17125	1.2
239.18056	0.9
241.19519	10.0
243.21309	0.7
247.20757	0.8
257.19006	2.6
259.20575	25.2
261.22116	1.7
275.19977	2.1
277.21646	13.6
315.23276	1.7
321.24033	1.0
333.20364	1.7
333.24246	22.8
335.25757	2.3
349.23648	1.0
351.25308	100.0
352.25851	1.1
535.41510	1.1
547.39417	1.5
609.44904	4.4
627.46204	11.9
645.45538	1.5
657.67206	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.2
53.03949	8.8
55.01876	6.8
55.05516	15.3
65.03927	1.2
65.91732	1.0
67.05507	2.4
69.03436	2.6
69.07072	1.1
77.03932	2.4
79.05508	5.2
81.03416	5.8
81.07068	2.3
83.04987	19.8
91.05487	12.4
93.07030	4.0
95.04980	11.6
95.08607	1.8
97.06511	1.4
103.05466	3.2
105.03399	100.0
105.04528	4.0
105.07023	9.9
107.04951	3.9
107.08585	4.4
109.06498	2.1
109.10191	1.3
109.29653	0.9
115.05463	5.2
116.06245	1.7
117.07030	9.4
119.07787	1.4
119.08584	14.7
121.06477	2.2
121.10146	2.4
123.08105	0.9
128.06201	4.8
129.07018	11.5
130.07832	2.4
131.04915	3.4
131.08588	12.2
133.06453	2.0
133.10146	9.2
135.08087	4.7
141.07033	3.3
142.07799	5.6
143.08574	11.3
144.05707	1.5
144.09344	1.1
145.06476	8.0
145.10153	8.8
147.08057	36.2
147.11681	1.5
149.09628	2.1
153.07019	1.1
155.06090	1.0
155.08546	2.5
156.09355	5.7
157.06519	1.6
157.10143	14.9
158.07312	2.0
158.10995	1.0
159.08061	35.4
159.11681	7.8
161.09621	18.5
161.13312	1.8
163.07571	3.6
165.06995	1.7
165.09117	1.1
166.07825	1.0
167.08609	1.6
168.09297	1.1
169.06488	1.1
169.10114	5.8
170.10909	3.1
171.08089	7.0
171.11710	25.8
173.05977	4.0
173.09637	12.4
173.13301	4.0
175.07555	6.3
175.11200	2.7
177.09196	1.4
179.08604	2.7
179.10663	2.8
179.27452	1.0
180.09331	1.2
181.10167	2.1
182.07242	1.0
183.08057	2.1
183.11679	8.4
184.08865	1.4
185.09641	9.4
185.13257	15.0
187.07567	3.9
187.11212	6.1
187.14809	1.5
189.09116	2.5
189.12697	2.0
191.10701	2.4
192.09268	1.1
193.10172	2.0
195.08153	1.2
195.11743	3.6
197.09601	3.3
197.13280	2.0
198.10432	1.4
199.11201	9.1
200.11948	2.1
201.09172	1.4
201.12727	1.8
203.10664	1.5
203.14319	2.5
205.10222	1.3
207.11716	3.3
208.12549	1.0
209.09669	2.6
209.13234	2.5
210.10455	1.0
211.11145	1.9
213.09305	1.2
213.12730	9.7
215.10664	3.3
215.14317	1.4
216.09232	0.9
217.08630	3.8
217.12173	7.5
218.10785	1.0
219.08194	1.1
219.10011	1.2
219.11835	1.8
219.13829	4.0
221.13342	1.3
223.11136	2.8
223.14828	1.0
225.12714	1.5
227.10710	1.3
229.10182	2.0
229.12280	4.6
231.11870	1.1
231.13809	22.0
232.12564	1.2
233.09703	1.8
233.11546	1.2
233.13484	1.4
235.11136	1.9
237.12755	1.8
239.10649	1.7
241.12332	3.3
243.11703	2.0
243.13904	1.2
244.12390	1.3
245.09604	1.4
245.11789	3.2
246.10507	1.9
247.11131	2.1
247.15213	1.3
249.12695	1.1
249.14900	3.9
251.10666	3.2
251.14468	1.2
253.12238	1.1
256.12360	1.2
259.11026	1.7
259.13254	10.9
260.11682	1.3
261.12738	3.3
262.13281	1.0
263.14523	0.8
265.12201	1.6
267.09937	1.1
268.12439	0.9
269.09790	1.0
269.13010	1.6
270.14203	1.3
271.11368	1.1
271.14774	1.9
271.78500	0.9
273.12668	2.1
274.13446	1.4
275.14401	2.1
277.14313	8.1
279.13922	1.4
285.12720	3.5
285.16010	1.2
285.37216	1.1
286.13577	2.1
287.14355	3.1
288.15131	1.2
289.12219	2.3
289.15866	2.0
291.13596	1.1
297.12759	2.4
298.13535	1.2
299.14410	2.6
299.17676	1.5
301.12509	1.2
301.15988	2.8
303.13879	1.1
311.14423	2.1
312.15213	2.2
313.15729	1.8
314.13159	1.4
315.14035	1.4
315.17429	2.4
317.15448	1.3
317.18854	2.1
327.13864	1.5
327.17441	4.1
328.18304	1.9
329.15350	3.0
333.18341	1.3
335.16434	1.2
341.19180	1.9
343.16998	2.7
345.14783	1.3
345.18561	4.5
347.16208	1.4
351.19623	1.2
355.19049	1.8
357.18530	2.8
359.20053	5.0
361.17792	1.1
363.19540	1.8
369.18503	3.3
372.16846	1.2
375.19650	5.1
377.21066	5.2
379.18896	1.6
387.19543	18.0
393.20569	2.5
405.20605	31.0
423.21732	24.0
505.25510	2.0
509.23373	1.7
523.27106	5.5
527.24365	4.5
545.25336	2.9
627.29645	6.7
645.30280	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	645.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44559	0.5
53.03939	1.1
55.01867	1.9
55.05520	3.4
55.05751	0.6
64.67779	0.5
66.15946	0.6
67.05503	1.4
71.55238	0.9
79.05502	1.4
81.03413	1.7
81.07059	1.3
83.04997	4.8
84.03599	0.7
91.05457	3.7
93.07092	0.9
95.04974	1.7
97.06519	0.6
103.05486	7.5
103.17683	0.5
105.03396	2.7
105.07055	2.6
107.08633	1.0
109.06510	0.9
115.05488	1.2
117.07055	2.8
119.08572	3.2
121.06542	0.9
121.10124	0.9
128.06216	1.1
129.07001	1.7
131.04936	16.7
131.08575	2.8
133.06458	0.8
133.10135	1.9
135.08054	1.1
141.06981	1.0
142.07777	0.8
143.08575	2.3
145.06552	2.8
145.10150	2.4
147.08058	5.7
155.08562	1.5
156.09399	1.2
157.10143	4.3
159.08070	3.5
159.11748	1.4
161.09584	3.3
163.07588	4.9
165.06908	1.0
169.10159	1.7
170.10939	1.1
171.08086	2.3
171.11722	4.2
173.09659	2.4
173.13341	0.8
175.07550	1.4
179.08727	1.0
180.09311	0.7
181.10181	1.4
183.11714	3.4
185.09680	1.5
185.13280	4.8
187.11211	1.6
189.12775	0.7
195.11734	0.8
197.09644	1.2
197.13318	1.2
199.11238	1.5
200.11858	0.7
201.12772	0.7
207.11873	1.1
213.12766	4.0
217.12164	0.9
223.11055	0.9
229.12381	0.7
231.11714	0.8
231.13811	0.9
237.12686	0.9
239.10715	0.7
241.12154	1.9
245.15491	1.7
259.13303	1.0
273.14880	1.3
275.20120	0.7
287.14240	0.7
329.15305	0.8
339.68170	0.6
341.17493	2.0
357.18643	0.8
359.19995	0.8
369.18582	0.7
387.19714	1.5
399.17673	0.8
401.19919	2.2
419.22342	1.7
437.23395	0.7
486.27118	0.6
501.26715	1.3
527.23682	0.8
545.25232	6.3
627.28955	3.3
645.30383	100.0
646.30884	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	645.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.5
53.03942	5.4
55.01872	10.1
55.05518	25.0
60.33784	1.5
67.05502	3.6
69.03428	2.9
69.07056	2.0
70.84529	1.6
71.40445	1.7
71.61861	1.7
77.03927	2.9
79.05493	8.3
81.03407	5.8
81.07040	4.5
83.04987	42.8
91.05490	19.8
93.07036	6.2
95.01334	1.7
95.04980	12.3
95.08587	5.6
103.05473	51.2
105.03403	19.1
105.04498	3.4
105.07050	14.2
107.04934	3.3
107.08586	8.6
109.06496	3.3
109.10175	2.4
115.05454	5.4
117.07028	10.3
119.07922	1.6
119.08594	17.1
121.06492	3.1
121.10112	1.9
128.06207	6.7
129.07056	10.6
130.07774	3.3
131.04936	100.0
131.08585	19.8
133.06462	4.7
133.10156	11.7
135.08046	6.2
141.06963	5.1
142.07765	7.7
143.08557	12.7
145.06496	14.2
145.10077	9.9
147.08043	48.9
147.11636	1.9
149.09619	3.3
154.07779	2.2
155.08525	5.8
156.09352	9.1
157.06485	1.8
157.10150	21.4
158.07253	1.9
159.08066	31.9
159.11665	10.8
161.09618	24.1
163.07552	8.4
165.07066	3.2
166.07823	2.5
168.09247	2.1
169.06468	1.9
169.10114	9.3
170.10922	5.9
171.08070	9.9
171.11688	31.1
173.06017	4.7
173.09625	15.2
173.13254	4.0
175.07542	7.4
175.11130	3.5
177.09148	1.9
179.10652	2.7
181.10114	4.1
182.10858	3.4
183.08147	2.9
183.11684	16.4
184.08829	3.3
185.09714	11.7
185.13261	26.4
187.07527	3.7
187.11191	6.8
189.12802	1.8
191.08604	1.6
191.10509	3.0
192.09395	2.0
193.10068	3.3
195.11661	4.1
197.09572	4.6
197.13347	3.6
198.10339	2.3
199.07558	2.0
199.11192	15.2
201.09151	3.4
201.12764	4.9
203.14345	1.7
206.11084	1.7
207.11720	2.5
209.09615	3.8
209.13257	3.4
211.11119	4.2
213.12747	26.4
215.10674	3.7
217.12231	5.4
219.11682	3.1
219.13768	3.3
221.13312	2.8
223.11143	5.2
225.12723	3.5
229.10178	2.2
229.12259	5.0
231.11783	3.7
231.13753	14.5
233.13400	3.0
235.11238	3.1
235.14864	2.3
237.12764	4.8
239.10500	2.0
241.12157	6.0
243.13809	3.4
245.11563	2.3
245.15425	7.1
246.10310	2.4
247.11151	2.8
248.12097	1.9
249.14882	2.5
251.14444	1.8
255.13866	3.4
259.10922	2.2
259.13205	17.0
261.12595	3.8
261.15378	1.7
262.63614	2.1
267.13956	2.2
269.13110	2.1
271.11017	3.8
271.14746	3.2
272.11978	2.8
273.12415	2.3
273.14868	5.7
276.15060	2.2
277.14365	4.3
279.14166	2.0
280.46017	1.9
285.12619	2.5
287.14267	5.2
289.12216	2.5
289.15610	2.1
291.15942	4.4
297.12656	3.2
299.14166	2.3
300.14990	1.8
301.15793	6.1
303.13809	3.1
305.15372	2.2
312.15051	3.1
313.15799	4.4
315.14050	1.9
315.17462	5.7
317.15387	2.9
317.18927	2.9
327.17371	6.3
329.15381	3.0
329.19141	1.8
331.16800	2.3
331.20593	3.2
340.14606	2.4
341.19144	5.3
342.65668	2.1
343.16891	2.3
345.18439	5.3
347.16425	2.3
357.18439	3.1
359.19940	3.1
369.18546	4.4
375.19363	4.9
377.20898	4.8
387.19507	14.9
389.20880	1.9
391.22861	2.2
401.20972	6.2
405.20636	26.2
419.22183	11.6
423.21597	19.5
437.23166	6.3
465.22729	3.2
497.25098	2.8
545.25214	8.2
627.29218	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	645.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.01873	6.7
56.19844	0.8
67.05496	1.7
69.03431	1.3
70.79251	2.2
71.84462	0.9
76.75040	1.0
77.03925	1.1
79.05495	3.9
81.03416	4.2
83.04957	1.3
91.05500	11.6
93.07052	4.8
95.04987	5.3
97.06545	1.2
103.05476	45.5
105.04531	1.0
105.07035	8.9
107.04946	2.9
107.08604	3.2
109.06518	1.5
115.05478	5.4
116.06231	1.4
117.07030	8.4
119.04949	1.0
119.08592	10.2
121.06530	1.7
121.10135	2.2
122.94798	1.0
128.06255	4.3
129.07022	7.9
130.07768	1.7
131.04936	100.0
131.08569	8.3
133.06490	1.8
133.10129	6.0
135.08066	4.3
142.07813	2.8
143.08578	7.7
145.06483	8.7
145.10124	6.4
147.08057	30.2
149.05988	1.1
149.09680	3.1
155.08557	3.7
156.09412	4.4
157.10152	13.2
158.07271	1.6
158.10788	1.1
159.08061	12.2
159.11710	8.5
161.05989	1.1
161.09615	12.8
163.07550	27.5
163.11148	1.5
167.08589	1.2
169.10141	6.6
170.10907	2.7
171.08083	3.4
171.11710	18.8
172.08766	1.1
173.06033	3.3
173.09618	9.3
173.13281	2.6
175.07524	5.2
175.11247	1.5
180.09373	1.9
181.10057	1.8
182.10992	1.1
183.08136	1.5
183.11703	18.4
185.09612	6.2
185.13266	16.7
187.07556	1.7
187.11212	3.8
189.09077	2.4
189.12856	1.2
193.10129	1.8
195.11711	2.8
197.09631	2.8
197.13344	4.6
198.10469	1.2
199.11162	6.1
200.11984	2.1
201.09160	3.4
201.12772	2.8
205.12192	1.2
207.11723	3.1
211.11224	3.0
213.12747	12.6
215.10619	2.4
218.10954	1.0
221.13388	1.5
223.11240	2.3
225.12743	2.0
229.12282	2.7
231.13843	2.7
233.15399	2.4
237.12924	1.6
239.10704	1.2
241.10054	1.1
241.12253	4.3
243.13802	3.0
245.15411	10.4
247.14844	1.4
249.12778	1.5
249.16563	1.1
255.13925	2.9
257.13336	1.2
259.13208	5.1
263.16467	1.8
273.14880	7.8
275.14258	2.0
277.12213	1.5
283.11292	1.1
283.14850	1.2
285.12698	1.7
287.14334	2.1
291.15921	2.3
297.12653	1.2
301.15875	1.6
303.14099	1.7
303.17511	2.1
312.15137	2.0
313.15823	1.8
315.17343	3.3
317.19247	2.1
327.17438	3.9
328.18140	1.3
329.15363	1.4
329.18884	1.3
330.16357	1.2
331.20584	1.3
341.18930	3.6
345.18405	3.2
357.18613	1.5
359.20035	4.1
361.17883	1.2
369.18231	2.9
387.19870	6.7
389.21088	2.7
391.22632	3.1
401.21002	5.8
402.21143	1.0
405.20581	2.1
407.22266	2.1
419.22263	12.5
437.23303	3.0
465.22647	3.0
479.24063	2.7
497.25806	1.4
613.27612	2.6
627.28943	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.4
53.03938	3.0
55.01875	6.5
55.05504	3.0
62.72131	0.7
67.05505	2.4
69.03442	1.8
69.07068	1.4
69.67970	4.4
72.52851	0.6
77.03918	1.6
79.05488	5.2
81.03418	4.4
81.07063	7.2
82.07356	0.8
83.04988	3.4
91.05483	12.0
93.07057	4.8
95.04980	7.0
95.08604	2.7
97.06512	2.0
103.05476	52.2
104.05783	0.7
105.03397	8.0
105.04482	0.9
105.07042	9.8
107.04957	2.9
107.08599	5.3
109.06512	4.0
109.10148	1.7
110.06918	0.8
115.05453	3.6
115.06195	0.8
116.06300	1.6
116.07051	0.8
117.07034	8.5
119.04912	0.8
119.08586	15.0
120.08945	0.7
121.06525	2.4
121.10144	2.3
123.08059	1.7
128.06235	2.8
129.07007	9.6
130.07762	1.6
131.04936	100.0
131.08586	9.0
133.06482	2.7
133.10124	9.7
135.08047	3.3
135.11699	0.9
137.09615	1.1
141.07014	2.1
142.07793	3.1
143.08586	7.6
144.05789	1.0
145.06496	6.6
145.10121	9.8
146.07231	0.8
147.08054	32.6
147.11710	2.0
149.09624	4.6
151.11224	0.9
153.07021	1.1
154.07808	1.2
155.08600	3.3
156.09367	6.1
157.10135	15.5
158.07275	1.4
158.10547	1.1
159.08076	11.4
159.11681	9.2
161.09639	13.3
163.07552	20.9
163.11166	2.4
165.07074	1.3
167.08539	1.3
168.09348	1.1
169.10136	6.8
170.10959	3.4
171.08058	2.1
171.11696	22.9
172.08821	1.1
173.06017	3.0
173.09622	9.7
173.13271	3.6
175.07544	5.9
175.11218	2.1
179.08615	0.8
180.09309	1.0
181.10126	1.8
182.10875	1.6
183.08141	1.1
183.11713	15.3
184.08890	1.4
184.12289	0.9
185.09659	5.1
185.13274	18.7
187.07431	1.0
187.11174	3.9
187.14874	2.1
189.09087	1.6
189.12779	1.7
193.10158	1.5
195.11678	5.2
196.12318	1.0
197.09628	2.6
197.13239	5.4
198.10426	0.9
199.11214	8.8
200.11943	1.0
201.09140	2.9
201.12666	3.4
203.10678	0.9
203.14281	1.9
205.12228	1.5
206.10892	1.1
207.11758	2.4
209.09709	1.3
209.13268	1.6
211.11226	2.7
211.14868	1.6
213.09274	1.0
213.12733	13.4
215.10764	1.5
215.14348	1.9
217.12329	2.3
219.11760	1.1
221.13344	2.3
223.11186	2.1
223.14819	1.3
225.12741	2.0
227.10721	1.7
227.17841	3.4
228.18350	2.2
229.10164	1.1
229.12270	2.8
231.11923	0.9
231.13831	3.8
233.11472	0.8
233.13429	1.2
233.15388	1.5
235.11159	1.1
237.12740	2.0
239.10851	0.9
241.12311	4.5
243.11665	1.5
243.13780	3.3
244.12520	0.8
244.18132	1.2
245.13138	1.3
245.15376	10.5
246.19370	1.1
247.11102	0.9
249.12549	1.1
251.10760	0.7
251.14334	1.2
255.13866	4.6
257.15509	1.0
259.13281	3.0
261.12671	1.2
263.14163	0.9
263.16595	1.7
269.13245	1.0
270.19324	0.8
271.11172	1.3
271.14896	1.2
272.11990	1.0
273.14816	8.8
275.13962	0.9
279.17209	0.8
284.15515	0.9
285.12842	1.4
287.14383	1.6
287.20117	1.3
288.15298	1.0
288.20557	2.0
289.16241	0.7
291.15970	2.7
297.12650	2.0
299.14377	1.1
301.15921	1.0
307.20428	0.9
312.15094	2.2
313.12451	1.2
313.15659	1.5
315.17438	3.5
317.19031	2.4
327.17361	5.0
329.18991	1.9
331.20618	1.5
341.18939	3.2
345.18512	3.3
357.18549	1.4
359.20071	3.1
369.18570	2.9
375.19705	1.4
377.25122	1.3
377.87912	0.7
378.25153	1.9
383.39795	0.7
387.19376	5.7
389.21240	2.2
391.22858	3.5
395.25848	1.8
396.26169	3.4
401.21201	5.9
405.20624	2.6
407.22192	1.7
419.22177	14.0
424.73010	0.9
429.67908	0.8
437.23511	3.4
450.30746	0.9
459.21417	1.2
465.22345	1.0
479.24536	1.9
495.30923	4.7
496.31375	12.3
497.25168	0.8
559.26752	1.0
613.27899	2.7
627.29620	1.5
645.30438	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	645.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	2.1
51.86592	1.7
53.03953	14.1
53.73245	1.8
55.01862	8.1
55.05269	2.7
55.05515	36.2
57.07076	2.0
63.98361	1.6
65.03942	2.6
65.18048	1.7
67.05492	8.8
69.03429	4.4
69.07060	6.1
72.08146	2.8
77.03919	3.0
79.05495	17.1
81.03438	9.5
81.07063	9.5
83.01344	2.5
83.04992	56.9
91.05490	34.8
93.03411	2.5
93.07053	17.4
95.04984	19.4
95.08598	6.3
97.02894	3.6
97.06500	2.3
98.21528	3.4
103.05492	11.9
105.03403	100.0
105.04515	5.9
105.07037	36.5
107.04960	7.7
107.08605	13.2
108.05717	2.8
109.06522	13.5
109.10149	3.3
111.04430	5.5
115.05441	10.3
116.06243	4.2
117.07020	21.9
119.04887	3.3
119.08595	38.1
121.06558	8.9
121.10126	8.3
123.04421	2.1
123.08035	4.4
128.06235	10.1
129.07018	15.3
130.07822	3.7
131.04936	19.8
131.08583	30.2
133.06523	13.0
133.10135	51.7
135.08046	8.6
135.11755	2.8
137.05981	4.0
141.06996	7.9
142.07784	11.4
143.08580	22.5
144.09334	3.8
145.06519	16.9
145.09225	1.7
145.10152	18.5
146.07292	3.2
147.08049	20.8
147.11676	3.7
149.06000	2.9
149.09669	9.8
152.06219	2.5
153.06989	6.3
155.08553	13.4
156.09386	14.1
157.06575	3.1
157.10152	25.4
158.07213	3.0
158.10942	3.8
159.08037	16.2
159.11717	16.7
161.06024	10.4
161.09634	19.4
163.07568	15.3
163.11194	2.4
165.06985	9.9
166.07736	4.3
167.08591	6.8
168.09381	4.0
169.10155	29.2
170.10907	8.8
171.08051	8.4
171.11705	31.4
172.08836	3.8
172.12363	2.0
173.05943	5.4
173.09622	16.6
173.13272	9.7
175.07547	6.5
175.11197	4.4
177.09100	6.1
178.07851	3.4
179.08569	8.5
180.09360	5.0
181.10118	13.9
182.10910	7.0
183.08002	8.9
183.11717	24.3
184.08862	3.2
185.06006	2.4
185.09651	16.7
185.13284	12.9
187.07561	11.6
187.11180	8.4
189.05501	5.7
189.09120	6.7
189.12790	3.5
191.07101	4.4
191.08600	2.6
192.09326	5.1
193.10078	10.1
194.10893	3.7
195.08061	5.7
195.11722	21.5
196.08821	2.9
196.12437	2.2
197.09647	11.0
197.13264	16.1
198.10294	6.5
199.11211	28.2
199.14807	2.8
200.11984	10.5
201.09238	9.2
201.12762	12.2
203.06970	4.7
203.08696	3.7
203.10532	3.2
205.08521	5.0
205.10133	4.9
206.10876	5.2
207.11670	12.2
208.12502	3.8
209.09654	8.0
209.13246	5.8
210.10460	2.9
211.11198	14.9
213.09174	3.5
213.12770	31.9
215.08662	3.5
215.10663	4.2
215.14340	10.0
216.09384	2.4
217.10281	3.6
217.12212	5.0
218.10847	4.3
219.11673	8.7
220.12497	5.7
221.09692	2.9
221.13211	10.2
222.10471	3.0
223.11159	8.1
223.14832	5.3
224.11987	4.4
225.09114	8.1
225.12727	14.0
227.10551	9.2
227.14297	3.8
229.10228	4.4
229.12245	4.6
230.10918	6.5
231.11711	10.2
231.13722	3.5
232.12494	5.3
233.13324	8.6
234.10278	2.6
234.14044	3.5
235.11096	6.7
235.14856	12.4
236.11920	2.3
237.12764	6.3
237.16434	3.6
239.10634	4.7
239.14339	5.0
241.10046	2.6
241.12196	4.4
242.11000	4.1
243.11699	5.6
243.13849	18.5
244.12418	5.6
245.13220	8.4
245.15538	4.3
246.10255	2.5
246.13998	7.0
247.11176	3.9
247.14781	8.7
248.11871	3.7
248.15538	3.7
249.12766	6.7
249.16487	3.8
250.13600	3.0
251.07072	2.9
251.14340	7.6
253.08571	6.1
255.11670	3.6
255.13986	2.1
256.12543	4.3
257.13293	7.4
258.13956	5.2
259.11023	3.2
259.14771	7.0
260.15591	3.2
261.12772	3.2
261.16486	9.0
263.10880	2.3
263.14264	6.4
265.15839	3.7
269.13312	4.6
270.14026	5.6
271.09769	6.1
271.14764	5.5
272.15521	3.8
273.16125	2.4
273.18774	2.7
274.13391	3.5
274.17142	2.3
275.14291	5.7
275.17889	7.7
276.18323	2.6
277.15811	4.7
278.16403	3.1
279.14096	2.2
279.17450	4.0
281.13104	2.6
283.11087	2.9
283.14798	7.2
285.12726	2.4
285.16425	4.0
286.13553	4.7
286.17072	5.4
287.14328	5.0
287.17862	4.2
288.15158	2.4
289.12439	4.3
289.15930	5.4
291.13837	2.6
291.17303	3.9
293.18945	3.5
295.14471	2.4
296.11954	2.4
297.12747	3.0
299.14420	3.4
299.17926	3.0
300.15082	2.4
301.15823	5.3
303.13831	3.5
303.17404	8.6
303.20789	2.3
304.18152	6.1
311.14301	6.3
313.15704	4.5
315.17328	4.5
315.20642	2.5
317.15375	4.4
317.19000	3.8
319.16980	2.9
321.18411	7.3
322.19202	3.9
326.16797	3.6
327.13751	3.0
327.17365	3.2
329.15259	8.8
329.19055	4.8
331.16879	7.3
331.20578	4.3
333.18237	3.7
341.18997	7.9
342.16211	2.5
343.16879	7.0
344.17694	4.5
345.14673	4.4
345.18500	15.4
347.16394	4.0
347.20093	2.7
354.16165	3.7
357.14676	2.3
357.18555	20.7
359.20145	19.7
361.17996	6.9
363.19525	3.0
369.18503	22.1
372.17181	4.6
373.17770	5.3
375.19598	12.9
377.21298	12.2
379.19385	2.2
385.17984	7.0
387.19574	65.0
391.19003	4.1
403.18994	7.8
405.20667	54.9
421.19678	3.0
423.21634	12.8
457.59247	2.5
487.24667	3.4
505.25977	3.9
509.22134	2.3
523.26471	3.3
608.94189	2.2
627.29175	6.8
645.29456	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	645.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.2
53.03947	7.9
55.01881	20.6
55.05506	5.5
57.03433	2.2
65.03947	1.9
67.05503	12.2
69.03068	1.2
69.03432	6.9
69.07066	4.2
70.04234	5.2
71.04989	1.6
74.09740	1.6
77.03910	2.1
79.05500	17.8
81.03416	16.5
81.07065	12.1
83.04980	5.6
83.08635	1.6
85.06493	1.7
91.04904	2.0
91.05486	39.8
93.07045	15.6
94.76369	1.5
95.01329	2.1
95.04980	17.8
95.08607	10.8
97.06541	1.8
98.20819	2.1
103.05471	9.4
105.03403	50.4
105.04515	5.8
105.07043	29.5
107.04969	8.8
107.08597	12.8
109.06539	7.2
109.10147	3.0
111.04432	2.0
113.06030	1.8
115.03908	3.1
115.05460	14.7
116.06223	4.1
117.07027	23.5
119.04946	2.9
119.08591	39.4
120.76500	1.3
121.06509	5.7
121.10139	9.8
123.04412	3.1
123.08062	1.8
128.06227	9.8
129.07011	28.9
130.07813	5.6
131.04948	10.9
131.05801	1.3
131.08586	21.3
132.05692	2.3
133.06499	5.2
133.10143	37.0
135.08081	9.8
137.09590	2.6
141.06982	8.5
142.07774	12.5
143.08578	24.8
144.05708	3.5
144.09331	2.7
145.06519	19.2
145.10149	23.7
146.07274	2.8
147.08060	100.0
147.11711	5.4
148.08398	1.9
149.09616	12.2
153.07021	3.7
154.07771	3.5
155.08537	9.6
156.09360	15.2
157.06540	2.1
157.10144	44.8
158.07288	3.6
159.08073	38.5
159.11703	33.1
161.05983	2.6
161.09639	39.7
161.13232	2.7
163.07562	59.4
163.11209	6.4
165.06995	5.8
166.07732	2.2
167.08597	6.3
168.09343	4.9
169.10130	21.0
170.10918	13.4
171.08156	8.0
171.11708	80.4
172.08862	1.9
172.12321	2.6
173.06056	8.1
173.09634	29.1
173.13297	10.4
175.07562	18.3
175.11171	6.4
175.14801	1.4
177.09113	2.3
179.08540	3.2
179.10533	1.7
180.09349	3.0
181.10185	6.8
182.10934	3.3
183.08122	3.6
183.11710	44.9
184.08862	2.3
185.09665	20.7
185.13272	59.2
187.07564	4.0
187.11198	10.2
187.14801	3.5
189.09122	4.5
189.12790	4.0
191.08438	1.6
191.10660	2.3
193.10161	4.5
195.08141	2.5
195.11737	13.8
196.12556	1.7
197.09627	10.1
197.13257	19.9
198.10336	3.9
199.07468	2.0
199.11201	19.1
200.11990	4.1
201.09106	11.5
201.12755	8.7
203.08839	1.5
203.10690	4.5
203.14323	3.0
205.12215	6.2
206.10931	2.5
207.11693	8.2
208.12401	2.3
209.09663	3.9
209.13234	3.7
211.11166	8.7
213.09435	2.9
213.12761	49.0
213.14822	2.5
215.10703	4.3
215.14314	4.2
217.10249	3.0
217.12247	6.4
218.10928	3.3
219.11784	3.1
219.13644	1.8
221.09592	2.1
221.13275	5.2
222.10378	2.0
223.11227	9.1
223.14813	1.7
225.09186	1.7
225.12811	3.8
227.10608	5.7
227.17862	2.2
229.10208	3.1
229.12253	8.7
230.10934	2.4
231.11807	2.5
231.13774	9.9
232.12463	2.7
233.13261	4.5
233.15419	4.8
235.11111	3.1
235.14880	3.3
237.12764	4.9
239.10638	3.3
241.12262	19.4
243.11714	3.0
243.13841	10.1
244.12505	1.7
245.13181	3.4
245.15414	37.7
246.10344	1.9
247.15097	2.4
248.12105	1.9
249.12764	3.2
249.16447	2.1
251.10678	1.6
251.14262	2.5
255.11691	1.6
255.13853	11.1
257.13254	2.1
257.15488	3.8
258.14014	2.1
259.10950	2.9
259.13171	11.4
261.12717	3.8
263.14075	2.1
263.16495	5.9
269.13266	3.0
270.14047	2.0
273.12729	2.4
273.14911	24.1
275.14313	6.1
277.16028	3.4
283.11203	1.8
283.14856	4.0
284.15555	1.6
285.12741	4.5
285.16129	1.8
287.14413	7.8
288.15024	2.2
289.15546	2.3
291.15915	2.3
297.12668	7.2
298.13486	2.7
299.14352	3.4
299.17740	2.3
300.14804	2.1
301.15683	3.8
302.16705	2.3
303.17239	2.4
305.15463	2.3
305.18933	2.0
311.14276	4.5
311.25729	4.1
312.15039	5.5
313.15872	6.0
313.19272	1.7
315.17514	9.8
317.19016	8.8
325.15707	1.6
326.16766	4.0
327.17505	14.9
328.18097	4.0
329.15341	2.1
329.18945	2.1
331.17090	2.3
331.20636	4.6
333.18359	3.1
335.25870	2.2
341.18939	9.9
345.18521	12.5
357.18332	4.5
359.20047	14.7
363.19696	2.4
369.18634	6.8
375.19476	4.2
377.21268	2.5
387.19629	17.1
389.21225	6.7
391.22635	9.0
396.26184	2.5
401.21124	24.1
405.20682	5.2
407.22238	7.0
419.22183	42.0
437.23175	7.3
445.88086	1.8
495.31195	3.0
496.31415	9.8
505.25800	3.4
527.24274	4.0
541.25836	3.1
613.28168	9.1
627.29437	3.5
647.34540	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.7
55.01881	5.2
55.05516	67.6
55.36796	4.6
61.54859	4.3
67.05512	10.2
68.99796	11.1
69.03429	10.3
69.07083	7.2
71.55943	5.9
79.05482	18.9
81.03415	5.4
81.07030	24.2
83.04988	100.0
91.05481	45.0
93.07059	24.0
95.04965	19.3
95.08597	15.2
97.06534	10.7
99.04494	4.5
103.05482	56.7
105.03403	50.3
105.07047	65.5
107.04946	12.4
107.08612	24.0
109.06519	14.1
109.50398	4.3
115.05484	17.2
116.06252	8.1
117.07017	32.5
119.04952	10.5
119.08589	70.5
120.08926	5.3
121.06497	16.8
121.10135	19.8
123.04359	5.5
125.05872	4.6
128.06213	15.8
129.07007	21.2
131.04042	5.3
131.04951	76.3
131.08572	35.4
132.43787	4.5
133.06522	21.6
133.10135	45.9
135.08087	26.8
141.07016	15.5
142.07788	19.3
143.08580	39.6
145.06476	18.1
145.10127	38.9
147.08032	41.2
147.11649	8.3
149.05956	14.2
149.09634	18.9
153.06984	11.3
154.07835	6.4
155.08589	24.9
156.09367	33.6
157.06517	10.0
157.10156	61.3
158.07294	5.9
158.10776	4.9
159.04457	7.0
159.08067	34.2
159.11719	22.0
161.06000	25.6
161.09659	39.2
163.07542	30.6
165.05701	5.2
165.07033	16.1
165.09103	8.5
166.07765	7.3
167.07037	10.8
167.08527	11.7
168.09392	10.8
169.10175	36.7
170.10989	25.8
171.08092	22.5
171.11699	91.1
172.08812	6.5
173.05960	8.4
173.09628	33.9
173.13211	11.8
175.07562	17.7
175.11174	8.8
177.05447	16.1
177.09140	14.4
178.07744	5.5
179.08618	14.7
179.10588	7.3
180.09314	7.0
181.10138	16.9
182.10814	5.7
183.08061	19.4
183.11694	78.7
184.08855	6.3
184.12289	6.3
185.09683	28.9
185.13289	55.4
186.10312	4.9
187.07584	9.7
187.11179	20.9
189.05516	20.5
189.09142	6.2
189.12807	8.7
191.07057	23.2
191.10724	11.7
193.10162	21.8
194.10855	6.5
195.08049	13.2
195.11716	24.9
196.08893	6.3
196.12421	6.5
197.09616	17.5
197.13229	20.5
198.10370	10.6
199.07646	9.2
199.09529	4.7
199.11235	71.2
200.11842	10.2
201.09143	11.6
201.12712	18.5
203.07031	6.8
203.10745	11.5
205.08501	9.3
205.10219	8.7
207.11714	18.8
208.12390	5.4
209.09718	7.5
209.13319	9.1
210.10461	8.1
211.11211	23.4
213.09120	13.0
213.12758	60.5
215.10640	12.0
217.08540	15.3
217.10353	9.3
217.12312	11.2
219.09821	6.5
219.11685	13.0
219.13664	5.7
220.12437	10.3
221.13272	15.1
223.11189	19.4
223.14850	5.3
224.11751	7.1
225.09120	6.5
225.12717	9.3
227.10681	8.8
229.10310	7.5
229.12283	13.2
230.10793	6.0
231.09961	7.9
231.11893	8.5
231.13756	40.5
232.12520	10.6
233.13327	13.2
234.14120	6.3
235.11319	9.0
235.14844	11.6
237.12776	10.7
237.16345	7.3
239.10690	7.4
241.12251	15.0
243.11755	10.5
243.13885	7.4
244.12422	12.7
245.13196	19.6
247.11188	10.0
247.15080	10.4
249.12682	6.1
251.14333	7.2
253.15555	5.6
255.11752	12.1
256.12546	7.4
257.13208	15.9
258.10486	7.0
258.13913	8.4
259.11035	8.1
259.13388	25.1
261.12848	10.8
261.16354	6.3
263.14426	6.1
265.12305	8.6
268.12354	6.6
269.13113	14.2
270.10388	6.0
270.13916	11.9
271.11160	6.3
271.14774	11.6
272.11911	6.7
272.15323	6.2
273.12759	8.5
273.16330	10.6
275.14478	7.8
277.14438	16.8
282.14014	5.8
283.11380	6.5
283.14783	14.4
284.15515	10.5
285.12607	15.0
285.16357	16.5
286.13437	7.8
287.14444	11.4
287.17700	6.6
288.15024	6.3
289.15646	5.7
291.13782	8.6
291.17291	6.9
296.11963	8.6
297.12811	6.7
297.16248	6.8
298.13110	5.3
299.17734	8.2
300.15009	6.6
301.12247	7.8
301.15912	12.9
302.12943	6.9
303.13803	12.6
303.17331	6.8
311.14310	5.5
313.12170	11.4
313.15930	12.8
314.12891	6.1
315.13742	9.0
315.17322	10.4
317.11847	5.1
317.15390	10.7
317.18829	10.2
319.16977	7.7
325.12131	5.9
325.15723	8.2
327.13791	5.3
329.15268	19.1
331.13211	8.4
331.16934	13.3
333.18488	7.3
341.15289	5.7
342.15851	8.2
343.16888	20.3
344.13806	7.0
345.14761	13.6
345.18591	10.9
347.16321	15.4
353.15326	5.9
355.16916	9.6
357.14822	12.6
359.12537	5.7
359.16492	11.0
361.17914	21.5
371.16370	25.0
373.17941	17.2
375.15674	9.6
375.19827	10.2
377.17465	9.3
379.18924	11.1
383.16214	7.8
385.17966	14.3
387.15497	8.0
389.17465	44.4
391.19122	11.1
393.20462	15.3
399.15939	14.3
401.17554	28.0
403.18964	27.8
405.20837	7.5
407.18491	24.6
417.17255	27.1
419.18570	77.0
420.18933	8.4
421.19821	26.1
425.19077	6.4
431.18640	15.7
435.17978	35.1
437.19720	27.1
439.20798	15.0
449.19745	43.4
453.19235	11.0
463.21271	7.5
467.20599	61.7
479.20755	10.7
481.21988	7.3
485.21521	11.3
497.21536	8.0
509.21884	7.4
527.22815	23.7
541.27844	6.1
545.23767	14.6
645.26868	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.6
53.19616	2.8
55.01862	9.5
55.05264	4.4
55.05514	66.6
57.03439	4.5
57.16095	2.9
65.03954	3.3
67.05503	10.6
69.03437	6.4
69.07063	7.3
71.01340	3.6
77.04982	2.7
79.05499	32.0
81.03419	8.1
81.07079	16.9
83.04986	93.9
85.02892	4.4
91.05490	45.4
93.07046	35.5
93.63750	2.9
95.04980	30.4
95.08609	15.9
97.06525	11.9
100.67123	2.5
101.06004	3.9
103.05450	14.0
105.03418	2.6
105.06384	5.5
105.07033	51.6
107.04930	6.8
107.08593	28.9
109.06522	14.5
115.05473	8.7
117.07029	24.5
119.04957	5.5
119.08586	100.0
121.06526	17.1
121.10136	10.2
123.08109	5.3
125.76684	2.9
128.06210	11.8
129.07001	15.9
130.07780	4.3
131.04941	26.5
131.08571	31.7
133.06480	26.3
133.10136	35.1
134.07195	3.2
134.51015	3.4
135.08069	25.6
137.09647	4.4
141.06989	7.9
142.07785	15.3
143.08574	38.5
144.09250	5.1
145.06479	11.6
145.10143	33.3
147.08061	22.9
147.11662	5.1
149.05998	3.6
149.09631	52.4
151.07561	5.5
153.07022	6.7
154.07712	5.1
155.08556	16.5
156.09366	16.1
157.06502	3.7
157.10136	73.8
158.10820	4.2
159.08049	18.4
159.11707	51.0
160.11969	2.8
161.06006	8.6
161.09660	17.1
163.07536	4.5
165.07018	7.7
166.07823	5.4
167.08578	7.9
168.09369	10.2
169.10173	44.4
170.10869	13.5
171.08073	12.5
171.11702	52.4
172.08855	4.5
173.09634	27.9
173.13289	11.0
175.07565	9.7
175.11200	6.4
177.09123	10.3
178.07829	4.5
179.07062	6.8
179.08553	9.2
180.09360	6.3
181.10144	16.1
182.10924	3.2
183.08093	10.0
183.11714	88.2
184.12425	7.0
185.09665	17.5
185.13268	21.2
187.11180	25.9
189.09128	5.4
190.07596	3.0
191.07104	7.0
191.08734	4.4
191.10593	4.8
192.09407	10.9
193.08539	6.6
193.10141	23.6
193.12224	14.7
194.10948	8.0
195.07983	3.7
195.11700	22.9
197.09663	16.6
197.11337	3.3
197.13312	12.0
199.07547	4.3
199.11191	21.2
201.09070	7.4
201.12741	17.7
203.08603	7.3
203.10547	5.4
204.09325	6.7
205.08508	3.9
205.10181	9.4
206.10973	15.3
207.06485	5.9
207.11757	29.6
208.08839	3.7
208.12483	9.1
209.09677	9.6
209.13278	22.0
211.11209	23.1
211.14778	6.6
213.09111	5.3
213.12727	10.7
215.08632	4.4
215.10652	6.5
216.09312	7.3
217.10168	11.4
217.12234	10.9
218.10918	10.8
219.11708	21.2
220.12506	21.9
221.09773	4.0
221.13255	32.0
222.14020	6.8
223.11206	10.8
223.14703	15.7
225.09100	5.0
225.12767	13.8
226.09827	3.3
227.10637	6.9
229.10094	11.4
229.12247	25.8
230.10873	8.7
231.11693	31.5
231.13837	8.1
232.12526	18.2
233.13268	21.6
233.15417	6.2
234.14026	7.7
235.11156	7.1
235.14841	34.5
236.15422	3.5
237.09090	3.6
237.12726	11.7
237.16383	7.1
239.10681	3.7
241.12302	5.1
242.10973	5.2
243.12003	16.0
243.13722	17.5
244.12437	9.6
245.13464	28.9
246.10294	5.1
246.14096	19.6
247.11172	8.5
247.14966	39.0
248.11943	5.8
249.12677	8.7
249.16460	10.9
251.10635	3.4
251.14310	8.7
251.17987	3.9
253.12337	5.7
255.11639	7.2
255.13971	4.6
256.12518	7.0
257.13181	12.2
257.15625	4.0
258.14056	14.3
259.11142	6.3
259.15051	26.5
260.12042	6.2
260.15591	15.2
261.12668	13.6
261.16788	23.4
263.14282	11.7
263.18033	3.3
265.12460	4.3
265.15894	8.0
267.13889	4.6
269.13229	8.8
270.14069	8.4
271.14911	6.6
272.11847	4.3
273.12622	12.8
273.16205	17.3
274.13470	6.9
274.16910	2.9
275.14648	14.0
275.17807	14.0
276.15414	3.5
277.12253	3.5
277.15866	9.6
279.14001	4.2
279.17416	6.6
281.11914	3.2
281.15295	5.8
284.15503	4.6
285.12723	7.9
285.16388	7.2
286.13565	8.1
287.14236	14.6
287.17694	6.5
288.15082	4.5
289.15741	14.9
289.19128	4.9
291.14072	5.6
291.17419	9.2
293.15558	6.8
293.18951	4.2
299.17966	6.1
301.15881	15.2
302.16571	4.4
303.14038	6.6
303.17426	34.6
305.15353	6.3
305.18961	5.3
307.13593	3.8
307.16937	8.9
307.20529	5.8
311.12878	4.5
313.15698	4.4
315.13904	6.3
315.17352	12.4
317.15579	5.8
317.18942	37.5
319.13443	4.2
319.16904	11.4
321.15002	4.5
321.18469	28.4
323.16248	3.6
325.15820	4.6
327.17365	6.0
329.15286	11.7
330.15826	3.8
331.16797	14.0
333.14758	5.5
333.18484	10.2
335.16339	8.9
335.19943	8.6
337.17960	10.9
339.19559	7.4
343.17026	18.0
345.14740	6.2
345.18466	31.4
347.16397	50.1
349.17957	14.7
351.19513	9.0
359.16180	5.0
359.20218	3.3
361.18024	77.2
362.18384	3.0
363.15738	7.3
363.19589	16.6
365.17496	43.5
371.16504	11.5
373.17786	8.2
375.15958	8.6
377.17145	3.7
377.21426	22.3
379.14484	4.3
379.18991	45.0
381.21045	4.3
389.17502	53.6
391.19324	5.3
393.16925	8.6
395.22055	8.6
397.19952	4.9
403.19070	11.4
405.20950	5.6
407.18588	48.8
409.19992	6.0
411.21548	9.4
417.16940	9.3
421.20197	46.3
423.21771	7.8
425.19547	8.9
431.18433	4.7
435.18140	14.0
437.19247	4.1
439.21149	48.4
449.19791	17.5
453.18771	7.9
457.22083	13.7
467.20618	21.6
485.21747	12.4
622.33655	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.9
55.01872	10.8
55.05511	41.7
67.05514	12.7
69.03432	21.2
69.07101	8.0
70.80154	16.1
79.05488	20.7
81.03416	8.9
81.07067	8.6
83.04987	74.6
85.02912	6.4
91.05492	40.5
91.36775	5.5
93.07053	20.9
95.04976	39.4
97.06555	14.5
103.05483	17.0
105.03419	9.4
105.07039	75.7
107.04951	9.3
107.08627	12.7
109.06503	13.2
115.05444	10.2
117.07025	19.3
119.04988	9.3
119.08581	68.6
121.06499	13.0
121.10146	7.4
125.06000	6.8
128.06203	11.9
129.07004	21.0
131.04951	21.0
131.08598	24.2
133.06488	47.6
133.10147	15.0
134.53223	5.8
135.04453	7.2
135.08081	9.7
135.11810	6.4
137.06017	8.8
141.06955	9.8
142.07739	11.5
142.66234	6.9
143.08582	37.6
145.06479	26.7
145.10208	29.5
147.08035	26.1
147.11807	7.1
149.06001	12.7
149.09622	21.3
151.07561	7.0
153.06999	7.5
154.07721	8.8
155.08533	16.6
156.09344	22.1
157.10126	60.5
159.08080	23.4
159.11690	54.7
161.06010	62.1
161.09650	16.6
163.07608	13.2
167.08578	13.0
169.10126	37.2
170.10883	14.3
171.08075	14.1
171.11697	39.2
173.06047	15.7
173.09683	23.0
173.13254	10.6
175.07549	19.5
177.05466	8.2
177.09192	10.1
179.07101	10.2
179.08562	14.6
181.10229	18.0
183.08142	16.0
183.11716	100.0
184.08849	14.8
184.12572	6.8
185.09645	25.4
185.13292	18.8
187.07492	13.2
187.11186	29.9
189.05408	8.2
189.09180	11.4
192.09380	8.4
193.08626	9.4
193.10191	21.3
194.10970	10.3
195.08075	7.7
195.11687	16.2
196.08783	8.6
197.09683	22.3
197.13185	11.9
199.11212	49.1
201.09178	12.1
201.12775	16.1
206.10945	11.5
207.08235	6.3
207.11752	14.8
208.12352	9.0
209.09673	11.2
209.13399	8.7
210.10301	9.2
211.11133	18.2
213.09198	17.1
213.12798	15.0
215.10538	10.9
217.10371	8.4
217.12369	7.6
219.11823	8.8
220.12477	14.6
221.09807	11.3
221.13269	17.8
223.11224	13.5
223.14735	12.0
225.09146	27.1
229.12311	10.6
231.09915	8.4
231.11913	13.1
233.13332	10.1
234.14046	8.1
235.11208	9.8
235.14842	11.5
237.09076	7.4
237.12863	10.1
241.08424	8.7
243.11864	10.0
243.13890	10.0
244.12433	11.3
245.13426	14.0
247.14891	8.9
249.12756	7.9
249.16406	7.5
257.08047	8.7
257.13388	15.7
258.13980	11.5
265.12128	7.1
269.13535	7.7
273.12909	9.2
273.16248	9.7
277.12296	9.4
278.32269	7.2
287.18298	9.0
291.17349	6.9
299.10602	7.3
301.15756	14.0
305.15384	9.6
311.14481	9.6
315.13971	9.4
315.17377	14.8
319.16898	8.7
329.15442	29.4
331.16858	11.9
343.16919	40.4
347.16318	41.6
361.17938	37.0
363.15735	7.6
365.17477	18.1
371.16467	28.5
373.18054	8.0
375.15771	10.6
389.17645	42.0
403.19174	30.8
407.18784	34.7
417.16849	12.9
421.20126	40.5
423.21634	7.1
431.18747	9.9
435.18130	18.9
439.21283	30.6
449.19812	13.5
453.19025	9.1
463.17496	15.2
467.20981	13.9
481.18176	8.2
485.21436	8.5
537.21179	10.8
549.21124	15.2
552.81744	6.5
559.29980	8.3
567.21790	9.5
645.26288	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71682	3.6
52.77431	2.7
53.03939	5.5
53.11689	3.1
55.01865	8.9
55.05268	4.1
55.05514	48.8
58.94693	2.8
65.03928	3.8
67.05492	7.6
69.07048	3.4
79.05505	18.3
81.03416	5.0
81.07043	10.3
83.04552	4.4
83.04993	57.6
91.05489	43.9
92.05807	3.0
93.07040	16.5
95.04983	28.2
95.08590	5.0
97.06544	9.4
98.21741	2.9
103.05479	18.6
105.03394	9.4
105.04478	3.9
105.07038	55.4
107.08595	17.6
109.06524	10.3
111.04420	7.8
111.08047	4.2
115.05447	15.9
117.07017	39.1
119.04926	7.1
119.08588	77.6
121.06486	11.6
121.10144	7.0
123.08085	3.8
125.02335	10.5
125.05987	4.4
128.06242	14.0
129.07008	19.6
130.07756	4.4
131.04921	26.8
131.08585	32.2
133.06522	32.0
133.10153	23.0
135.08017	14.8
139.03951	3.5
141.06981	11.6
142.07780	16.0
143.04852	3.6
143.08549	33.6
145.06496	23.5
145.10144	32.2
147.08049	22.0
147.11572	3.7
149.05957	4.0
149.09612	27.1
151.07552	5.5
152.06189	3.7
153.06975	6.9
154.07726	4.2
155.08577	20.1
156.09344	10.1
157.06500	5.2
157.10139	51.8
158.10822	6.5
159.04399	4.4
159.08092	24.5
159.10461	4.7
159.11707	62.7
160.05070	3.0
161.06012	34.6
161.09602	12.1
163.07515	12.9
165.07001	9.4
167.08549	9.4
168.09361	6.6
169.10135	39.5
170.10860	16.2
171.08061	11.5
171.11691	53.2
172.08762	3.4
172.12024	4.4
173.05981	10.2
173.09596	21.0
173.13258	12.5
175.07550	21.4
175.11194	5.5
176.08055	3.0
177.05518	6.2
177.09131	36.7
178.06252	4.1
178.07841	4.7
179.06993	11.3
179.08543	8.2
180.09399	4.0
181.10159	18.1
182.10921	5.9
183.08131	7.1
183.11717	100.0
184.08612	3.0
184.12213	6.2
185.09665	21.6
185.13312	19.8
186.10283	4.3
187.07587	5.5
187.11171	20.4
189.05453	8.8
189.09099	13.0
191.06993	8.0
191.10686	10.2
192.09264	6.4
193.08553	11.6
193.10127	13.3
194.10983	9.8
195.08031	4.8
195.11702	19.3
196.12192	3.8
197.09622	19.1
197.13240	11.0
199.07581	4.1
199.11255	17.9
201.09164	12.2
201.12738	21.1
203.08798	3.5
203.10674	9.6
204.09354	4.5
205.08623	9.2
205.10252	5.6
205.11989	4.0
206.10909	11.1
207.11740	19.9
208.12482	7.1
209.09677	7.4
209.13257	11.7
211.07516	3.8
211.11211	24.2
213.09096	9.5
213.12740	10.0
215.10649	7.1
217.10165	8.0
217.12193	6.8
218.10902	5.4
219.11624	14.0
219.13629	5.0
220.08948	3.7
220.12468	10.1
221.09758	4.0
221.13232	19.6
222.10287	4.9
223.11185	10.7
223.14886	7.7
225.09160	7.0
225.12772	7.3
227.10680	10.3
229.10153	9.6
229.12271	25.5
230.10783	6.9
231.11665	11.2
231.13867	7.7
232.12498	6.5
233.13266	14.7
233.15404	13.0
234.10297	3.8
234.14026	6.5
235.11150	7.0
235.14798	12.4
236.15410	3.3
237.12781	6.8
239.10666	6.6
239.14162	5.0
243.11623	14.3
243.13872	17.0
244.12483	10.6
245.13287	10.1
245.15494	4.4
246.10318	4.2
246.13988	5.7
247.11316	6.2
247.15108	7.0
249.08849	3.9
249.12764	7.8
251.10506	3.9
251.14413	6.8
254.10843	4.3
255.11731	8.4
256.12509	6.3
257.13428	14.3
258.14059	12.8
259.11069	7.1
259.14948	7.0
260.15643	7.5
261.12482	7.3
261.14969	11.4
263.14322	8.6
265.12259	4.5
267.11642	4.8
268.12402	7.6
269.13187	12.8
270.10568	5.5
270.13956	9.0
271.11081	5.5
271.14676	10.8
272.15405	8.8
273.12881	6.6
273.16330	16.1
274.13370	3.7
274.17123	3.2
275.14529	6.6
275.17691	4.9
277.12070	3.3
279.13855	4.4
281.13123	4.1
282.14008	7.2
283.11157	3.7
283.14734	10.0
284.15503	4.8
285.12668	8.5
285.16293	9.4
286.13434	9.4
287.14038	4.2
287.17938	7.6
289.15201	4.1
291.17313	3.3
297.16351	7.5
299.14294	7.3
299.17776	4.6
300.14862	5.9
301.15945	14.5
302.16312	4.4
303.13788	8.5
303.17355	6.9
305.15424	8.7
307.13434	3.3
313.15668	3.7
314.12912	9.7
315.13937	7.3
315.17459	15.1
317.15271	6.9
317.18732	4.8
319.16974	8.4
320.17673	3.5
325.15549	4.7
327.17371	6.1
328.14551	6.2
329.15430	26.0
330.15964	6.4
331.16910	13.4
333.14905	4.6
333.18472	8.1
335.16385	4.2
337.14374	5.4
337.18173	3.7
343.17010	35.4
345.14743	6.0
345.18475	13.0
347.16403	33.8
349.17993	5.3
355.16928	5.3
356.14069	4.3
357.14664	7.1
359.20154	4.1
361.17886	46.7
363.15756	5.6
363.19687	7.1
365.17560	13.9
371.16330	24.5
373.17862	11.3
375.15518	4.5
375.19815	7.6
377.21106	7.0
379.18985	16.4
385.17953	3.9
387.19669	6.7
389.17340	52.9
391.18991	6.7
393.16748	5.4
399.15717	6.2
401.17291	4.7
403.19077	27.7
405.20609	12.4
407.18402	30.7
417.16785	16.2
421.20029	49.2
423.21671	6.7
431.18478	9.3
433.19998	7.3
435.17941	10.2
439.21298	35.1
447.21527	5.1
449.19678	23.0
453.19186	13.6
457.22324	5.6
465.22787	9.7
467.20435	19.5
485.21518	7.0
525.24811	7.6
535.24109	3.5
535.53247	3.2
536.38239	3.6
553.24292	4.3
567.26141	6.8
585.26904	10.6
613.27130	5.9
645.28937	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	645.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.5
53.03943	6.5
55.01863	7.4
55.05515	41.6
62.54510	2.6
65.03903	2.5
67.05501	9.5
69.03429	6.6
71.52815	2.4
77.03926	3.3
79.05499	17.2
81.03419	4.1
81.07061	7.1
83.04986	60.7
89.50413	2.5
91.05489	38.7
93.07030	16.3
95.04971	30.6
95.08603	8.2
97.06539	6.4
98.20718	6.3
101.05965	2.8
103.05456	16.3
105.03398	31.8
105.04514	4.5
105.07030	70.4
107.04936	3.4
107.08584	17.4
109.06548	12.7
111.04496	2.9
115.05471	10.0
116.06297	4.5
117.07027	30.0
119.04913	3.2
119.08585	80.0
121.06500	10.6
121.10152	4.6
128.06245	9.5
129.07042	13.1
130.07816	2.5
131.04941	17.4
131.08589	37.3
133.06496	33.8
133.10126	25.2
135.04439	2.9
135.08075	13.0
141.07002	8.1
142.07802	16.4
143.04929	3.9
143.08559	28.5
144.09349	4.8
145.06503	14.0
145.10121	23.3
147.08052	27.1
147.11665	3.6
149.05984	5.4
149.09628	17.9
151.07484	2.9
153.07002	7.2
154.07803	5.7
155.08585	19.2
156.09348	12.6
157.06490	6.9
157.10136	70.6
158.10898	5.1
159.08057	21.4
159.11694	44.9
161.05992	43.2
161.09608	12.7
163.07573	13.1
165.07031	9.4
165.09132	4.8
166.07838	4.5
167.08586	10.0
168.09380	8.8
169.10123	41.7
170.10941	18.8
171.08136	12.7
171.09392	2.9
171.11691	47.8
172.08856	5.0
172.12270	3.3
173.06003	7.7
173.09647	20.1
173.13300	13.5
175.07532	22.0
175.11195	5.9
177.05536	5.7
177.09137	36.3
179.07016	8.8
179.08549	13.1
180.09369	3.8
181.10132	16.9
182.10896	3.3
183.08112	10.7
183.11714	100.0
184.12482	4.2
185.09651	16.4
185.13286	22.1
186.10399	3.1
187.07579	9.7
187.11211	19.2
189.05458	18.6
189.09148	7.5
191.07014	6.8
191.08623	2.8
191.10669	5.2
192.09328	8.3
193.08630	4.4
193.10153	16.3
193.12178	5.4
194.10941	11.0
195.08121	7.0
195.11661	15.8
196.08817	5.6
197.09618	17.1
197.13272	9.9
198.10475	5.6
199.07555	6.6
199.11163	18.9
201.09097	10.7
201.12726	25.9
203.07086	7.7
203.10506	4.2
205.08440	6.1
205.10266	4.6
205.12132	4.1
206.10947	11.1
207.11720	27.9
208.12445	12.3
209.09589	8.6
209.13290	16.5
210.10461	4.5
211.11206	16.2
213.09123	10.4
213.12750	8.0
215.08723	5.0
215.10643	5.1
216.09361	5.3
217.10176	8.8
217.12196	6.3
218.10913	7.5
219.11679	9.8
219.13747	4.2
220.12433	9.2
221.09653	6.0
221.13356	15.0
222.10483	6.7
223.11188	7.2
223.14806	16.3
225.09277	5.2
225.12747	10.8
227.10680	7.5
229.10164	7.4
229.12283	19.3
230.10945	9.9
231.11684	13.3
231.13817	6.5
232.00385	3.0
232.12444	6.2
233.09717	3.7
233.13243	10.2
233.15451	12.7
234.10361	5.8
234.14030	5.6
235.11234	13.1
235.14854	9.9
237.12770	12.4
239.10701	5.5
243.11678	17.2
243.13876	13.0
244.12517	12.9
245.09552	4.6
245.13490	21.7
245.15532	5.4
246.10480	4.1
246.14091	8.7
247.11238	6.3
247.14841	9.3
248.11905	6.3
248.15604	3.6
249.12671	9.5
251.10574	4.4
251.14339	20.0
253.10057	5.1
253.12305	7.4
254.10823	5.2
255.11702	8.1
255.14056	4.0
256.12411	8.1
257.09583	4.2
257.13382	19.4
258.10321	3.1
258.14148	17.5
259.11160	10.3
259.15103	17.4
260.11850	5.9
261.12643	9.7
261.14868	14.0
263.10583	6.0
263.14597	3.1
265.12268	9.1
267.11731	10.2
268.12408	6.1
269.13113	11.8
270.13983	9.8
271.11166	5.1
271.14877	10.7
272.12189	3.7
272.15463	2.9
273.12714	9.0
273.16397	17.2
274.13522	7.8
275.14291	7.7
277.12119	6.3
279.13748	8.5
282.14041	6.5
283.14807	4.4
284.15491	7.1
285.12808	9.2
285.16223	6.1
286.13568	7.6
286.16736	3.5
287.14230	11.7
287.18027	10.3
289.12051	4.9
289.15256	3.2
291.13766	6.9
291.17035	3.6
293.11908	3.1
293.15344	4.6
295.13385	8.0
296.12003	3.9
297.12921	3.6
297.16422	7.0
299.10883	4.3
299.14310	10.6
299.17844	4.7
300.15082	10.3
301.12558	4.0
301.15790	22.1
302.13062	4.8
302.16306	4.5
303.13791	6.3
305.11917	5.2
305.15469	7.4
310.13495	4.6
311.13501	3.2
312.15213	4.0
313.12183	9.6
313.15665	4.1
314.13138	6.9
315.14026	5.3
315.17462	21.9
317.11707	5.1
317.15372	9.0
317.19006	5.2
319.13492	5.7
319.16928	19.3
321.14731	4.0
323.12637	3.1
325.15775	8.4
327.17514	3.5
328.14600	6.6
329.15457	34.7
329.19028	4.8
330.16043	6.2
331.13196	4.1
331.16852	5.9
333.18402	16.2
335.12775	3.4
335.16412	6.4
343.16925	47.4
345.14722	7.2
345.18539	8.6
347.12262	3.4
347.16428	56.9
347.20447	4.7
349.14270	19.7
349.18015	6.9
353.15170	6.8
357.14908	9.5
357.18698	4.6
359.16510	4.9
361.18027	65.4
363.15881	8.8
365.17459	23.7
371.16409	35.2
373.18066	6.3
375.15744	10.5
375.19620	7.9
377.17493	3.6
379.18994	16.0
381.16388	3.6
384.72739	2.9
385.17899	10.0
389.17490	66.7
389.22293	4.7
390.18030	3.6
391.15015	4.4
393.16232	4.8
393.20657	11.2
399.16058	9.5
403.19098	39.3
405.16541	3.7
405.21161	3.2
407.18506	46.7
417.16830	19.5
421.20084	48.4
423.17557	4.5
425.19662	4.3
431.18530	10.3
435.17917	20.4
439.21201	30.9
441.23022	3.4
449.19608	30.1
453.19370	8.3
467.20786	31.3
474.47537	3.1
485.21756	26.4
503.22971	4.3
527.22815	4.3
535.23853	2.8
545.24048	9.4
560.90594	3.1
567.25757	3.5
585.26178	3.2
622.22638	3.2
645.27100	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	645.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.9
55.01866	18.4
55.05514	43.8
57.39083	5.3
58.01607	5.7
59.19789	5.6
65.20370	7.1
67.05503	15.1
69.03432	35.8
71.56306	6.6
77.98563	6.9
79.05493	22.5
81.03423	14.7
81.07068	12.8
83.04975	74.4
85.02848	5.8
91.05489	56.6
93.03381	5.9
93.07046	24.8
95.04974	53.9
95.08608	18.3
97.06532	6.6
103.05479	19.1
105.03376	11.4
105.07034	81.5
107.04962	15.0
107.08627	14.9
109.06499	19.2
115.05460	20.9
117.07023	25.0
119.08586	86.5
121.06524	24.8
121.10200	5.9
125.02312	11.0
125.05996	11.9
128.06238	14.3
129.07022	28.4
131.04932	14.1
131.08577	40.9
132.74756	5.4
133.06517	57.5
133.10130	24.6
135.08075	23.9
137.06004	7.9
141.07010	19.5
142.07788	16.5
142.77199	6.9
143.08562	48.0
145.06480	28.3
145.10158	24.5
147.07983	28.0
149.05997	9.1
149.09657	23.5
151.07520	7.0
153.06960	10.7
154.07784	9.2
155.08560	22.5
156.09380	26.7
157.06544	10.3
157.10121	77.8
158.07256	11.7
159.04445	9.1
159.08061	36.4
159.11703	65.8
161.05991	93.5
161.09584	13.5
163.07559	29.8
165.05597	7.0
165.06943	13.9
166.07849	7.7
167.08585	18.8
168.09363	8.5
169.06485	15.9
169.10097	43.1
170.10889	17.7
171.08067	16.7
171.11714	66.1
172.08810	10.4
173.05998	18.1
173.09656	19.3
173.13280	16.5
175.07562	26.0
175.11203	11.3
177.05580	11.6
177.09119	11.8
178.07773	7.7
179.07057	14.6
179.08556	13.8
180.09261	8.7
181.06534	6.1
181.10144	23.0
183.08035	14.4
183.11691	100.0
184.08777	7.8
184.12442	8.3
185.09578	34.4
185.13289	17.9
187.07549	19.0
187.11156	31.0
189.05525	9.6
189.09129	13.1
189.96152	5.9
191.07077	7.5
191.08582	7.1
192.09441	9.2
193.08557	6.2
193.10127	18.9
195.08014	12.2
195.11757	21.6
197.09605	37.8
197.13214	9.1
198.10492	6.1
199.07477	7.6
199.11209	60.2
201.09163	6.7
201.12756	22.0
203.07021	7.7
205.08754	7.6
206.10927	10.8
207.11725	22.5
208.08966	8.0
208.12407	9.9
209.09732	15.3
209.13293	13.1
211.07550	16.3
211.11151	28.0
213.09149	19.8
213.12683	11.7
215.10683	21.5
217.08488	8.3
218.10905	8.8
219.11844	12.2
220.12447	9.4
221.09776	8.5
221.13312	8.6
223.07515	7.2
223.11174	16.1
223.14769	12.4
225.09077	56.0
225.12758	14.7
227.10640	10.4
229.10397	6.4
229.12315	26.9
230.10774	7.7
231.11674	13.3
231.13820	7.5
232.12430	8.4
233.09763	7.8
233.13319	14.5
233.15318	13.5
235.11247	14.6
235.14838	15.6
237.09117	11.5
237.12814	7.2
237.16402	6.6
239.10672	22.8
241.08687	16.7
243.11809	13.0
243.13872	17.6
244.12384	15.6
245.13362	13.6
246.14043	11.3
247.11346	9.5
251.10645	11.0
251.14229	7.5
253.12418	8.3
255.09782	7.2
256.12476	8.2
257.07901	6.0
257.13461	15.7
258.14200	11.6
259.14911	13.2
260.15552	6.8
261.12564	11.1
261.14859	13.0
263.14429	8.9
265.12222	8.3
267.09927	8.7
271.14630	8.3
272.11917	6.5
272.15753	5.7
273.16406	16.5
275.14117	7.5
277.12186	7.8
283.11093	8.2
283.14694	10.0
285.11243	22.0
286.13605	9.3
287.14343	14.0
287.17926	11.3
295.11108	7.1
297.16180	7.2
299.14276	11.5
301.15823	20.2
305.15558	6.8
311.13641	6.2
313.12195	8.7
314.13028	11.9
315.13876	12.4
315.17328	18.2
317.15396	10.6
319.12894	6.8
319.16928	12.2
323.72571	6.2
328.14407	7.0
329.15390	29.4
331.17181	7.2
333.18344	13.9
343.13348	8.5
343.16833	44.8
345.14713	13.2
345.18570	10.6
346.15277	8.6
347.16470	42.5
353.15402	7.4
357.14731	19.4
359.16425	9.6
361.17926	51.3
365.17517	15.3
371.15985	26.4
375.15765	13.3
377.17395	13.3
379.19037	20.2
389.17505	46.1
395.18503	7.8
399.16010	10.2
403.19031	22.6
407.18527	32.5
417.16956	22.4
421.20200	48.3
431.18512	10.6
435.18057	16.6
439.21155	28.1
445.16248	8.2
449.19467	20.2
451.17407	10.2
453.19040	16.5
463.17499	29.6
463.78101	6.9
467.20642	18.9
481.18256	13.0
485.22055	11.1
537.21436	11.3
549.20935	23.7
567.22284	17.1
601.81079	6.5
609.22900	6.8
645.34009	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	645.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13085	1.0
53.03940	2.5
55.01862	1.2
55.05506	4.5
57.82821	0.9
67.05508	2.1
71.04950	1.0
71.56010	1.0
71.56371	0.8
73.38805	1.1
77.06524	0.9
79.05495	3.5
81.03417	1.9
81.07064	2.4
83.04985	7.5
91.05485	4.8
93.07046	2.9
95.04980	3.2
95.08613	2.1
103.05460	4.6
105.03389	23.4
105.07043	5.7
107.04965	1.1
107.08598	1.6
109.06533	1.7
109.10181	1.1
112.92677	0.8
117.07041	2.2
119.08588	6.4
121.06532	1.9
121.10117	1.9
128.06247	1.1
129.07016	1.6
131.04932	9.2
131.08543	4.8
133.06506	1.5
133.10135	3.9
135.08061	1.9
142.07745	1.0
143.08566	3.5
145.06522	1.6
145.10149	2.2
147.08087	2.7
147.11661	0.9
149.05969	1.1
149.09598	1.8
155.08589	1.7
156.09332	2.6
157.06541	1.2
157.10103	3.8
159.08119	2.1
159.11740	2.8
161.06017	1.8
161.09651	2.7
165.07141	1.4
169.10106	2.6
170.10881	0.8
171.08072	2.0
171.11705	5.8
172.08975	1.0
173.09622	2.8
175.07509	1.2
181.10139	2.5
181.51270	0.9
182.10707	0.9
183.08138	1.8
183.11702	6.6
184.11922	1.0
185.09616	1.2
185.13266	2.5
187.11281	1.4
189.05449	1.4
189.09024	1.1
191.07018	1.1
193.10155	1.2
194.10866	1.1
195.11667	1.5
197.09560	1.3
197.13304	2.1
198.10413	1.1
199.11185	3.5
201.09206	1.4
201.12823	1.4
205.10318	0.9
207.11769	1.6
209.09547	1.2
211.11227	2.0
213.12769	3.5
215.10776	1.4
219.11708	1.4
221.13237	1.6
223.14772	1.1
231.11725	1.5
231.13814	1.3
235.14868	1.3
244.12543	1.0
245.13396	1.3
245.15590	1.5
247.11284	1.4
247.15015	1.3
249.12880	1.1
257.13300	1.6
258.14246	0.9
259.14966	1.7
269.13489	1.1
283.15155	1.1
285.16467	1.2
287.14316	2.3
287.17505	1.3
289.15765	1.5
298.13428	1.2
299.14188	1.0
300.15149	1.2
301.15768	1.7
305.11734	1.4
307.18317	0.9
313.15619	1.0
315.17587	1.2
345.14896	1.6
357.18646	2.2
359.16336	1.3
365.17633	1.1
371.16577	1.3
373.18042	2.1
375.19601	2.0
385.17917	3.0
403.19217	5.5
412.15341	1.3
413.16559	1.8
414.17117	2.0
419.18393	2.6
427.18008	1.4
436.15289	2.1
437.15747	1.0
437.20038	1.2
438.17276	1.5
439.17923	2.1
440.18967	2.2
441.15558	2.7
442.16235	2.1
443.17093	1.4
443.40179	0.9
447.30899	2.6
450.16968	1.7
451.18042	6.9
452.19006	2.1
453.19839	1.6
454.12729	1.2
455.13037	1.7
455.20810	2.8
456.18317	1.6
457.20062	0.9
458.20218	1.5
464.18829	1.4
465.19150	3.0
466.15494	4.3
467.16879	4.2
468.14163	1.4
469.14996	15.8
470.15332	1.7
471.20474	5.5
478.16769	1.7
479.20877	3.0
481.18719	40.2
482.19354	2.6
483.16513	17.3
484.17352	5.9
492.18130	1.0
493.18933	2.1
494.19705	5.3
495.20590	3.5
497.18024	6.1
498.19147	8.9
499.20114	8.4
507.20532	6.7
508.21512	1.5
509.17407	1.2
510.18973	2.1
513.21405	17.8
525.21460	2.1
526.22162	1.2
527.23999	1.0
539.23242	2.4
541.21613	1.3
544.23541	2.0
553.20850	2.8
556.19476	1.5
557.20868	3.0
567.22437	47.5
568.22760	2.3
569.23914	2.4
570.20886	1.7
571.22034	2.8
572.22516	8.8
585.23486	39.0
586.24182	18.5
608.25446	1.7
613.22858	2.2
616.21674	5.3
617.26099	6.0
627.25256	4.8
628.25055	4.3
630.23138	2.8
645.25604	100.0
646.25879	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.2
55.01860	16.2
55.05304	3.8
55.05513	38.1
62.51698	3.5
65.07717	3.6
67.05496	15.1
69.03432	12.3
69.07066	9.9
69.46269	29.3
77.03899	4.1
79.05496	26.7
81.03414	14.8
81.07040	13.5
83.04981	49.9
85.02882	12.0
90.76176	4.2
91.05484	30.5
93.07046	20.5
94.07381	3.6
95.04969	29.6
95.08589	7.1
97.02877	7.2
97.06519	5.5
103.05468	12.6
105.03386	11.1
105.07036	54.1
107.04936	12.4
107.08617	9.2
109.02837	3.8
109.06496	9.8
115.05441	12.6
117.07013	12.9
119.04921	9.3
119.08573	20.7
121.06488	12.4
121.10164	4.7
123.04390	5.3
123.08053	3.9
125.06018	6.0
128.06210	14.9
129.06989	12.8
131.04933	9.9
131.08551	23.5
133.06493	63.1
133.10133	8.2
135.04422	8.0
135.08031	12.5
137.05995	6.1
141.06995	10.7
142.07806	6.7
143.08594	30.5
144.09393	5.5
145.06477	17.1
145.10117	10.1
147.08034	11.6
149.05991	11.3
149.09610	5.2
151.07582	9.5
153.07018	8.6
154.07758	7.3
155.08551	14.4
156.09398	25.0
157.06509	12.1
157.10175	24.4
158.07233	4.7
159.08035	29.4
159.11700	7.7
161.05986	100.0
161.09625	11.0
163.07523	11.1
165.06998	7.6
166.07738	6.8
167.08580	12.0
169.06490	13.9
169.10121	31.6
170.10895	4.7
171.08084	21.7
171.11719	34.7
172.08856	4.8
173.05951	5.6
173.09663	11.2
173.13289	5.9
175.07501	6.1
175.11096	4.4
177.05397	7.5
177.09122	4.7
179.06987	16.1
179.08557	11.8
181.06476	5.3
181.10141	29.7
182.07312	8.7
183.08090	17.8
183.11697	16.8
184.08838	14.5
185.05919	25.1
185.09595	23.8
185.13297	8.4
187.07520	10.8
187.11223	11.1
189.05432	4.5
189.09105	11.4
191.08472	6.5
193.10168	10.5
195.08017	6.5
195.11732	9.0
197.09644	64.3
198.06775	4.0
198.10471	5.7
199.07524	9.8
199.11201	74.3
201.09094	7.6
203.07013	7.7
205.10190	6.5
206.10849	7.3
207.11743	13.7
208.08755	5.6
209.09607	86.7
209.13046	5.1
210.15019	10.7
211.07478	7.4
211.11191	15.1
211.15149	4.8
212.16464	16.8
212.46301	4.4
213.09116	23.0
213.12807	5.7
213.16771	9.1
215.10681	16.1
216.09225	4.2
217.08566	33.1
217.10272	4.8
217.12138	5.1
218.10895	7.2
219.11761	6.6
221.09726	6.0
221.13271	6.5
222.10338	4.9
223.11166	14.4
225.09091	25.2
225.12683	4.9
227.07146	6.4
227.10664	82.1
229.10255	6.5
229.12274	9.8
230.10890	4.9
231.11807	8.7
235.11324	9.0
235.14644	4.3
237.09055	9.5
237.12750	6.5
239.10608	6.9
241.08463	9.1
241.12206	13.2
242.10838	4.2
243.10056	11.1
244.12541	5.0
245.08008	7.4
245.11530	20.8
247.11266	7.1
249.12769	5.3
251.10797	5.1
253.08397	7.5
253.12286	5.1
256.12460	7.4
257.11554	7.7
259.11072	7.0
259.13278	5.6
261.12820	6.2
263.10803	4.2
263.14362	6.0
269.11752	11.0
272.11868	5.1
274.13547	4.3
275.10532	4.5
275.14227	6.8
277.08582	5.1
277.12115	9.1
283.10873	6.1
285.12610	5.6
287.12711	89.4
289.05286	7.0
289.11041	3.8
303.13724	6.7
305.15302	5.9
313.15640	4.5
315.13602	4.8
317.15149	8.6
329.13834	40.1
331.13046	4.4
331.16806	7.1
333.15005	5.5
337.18109	5.2
341.15225	7.6
345.14828	9.7
347.16257	10.9
353.94629	4.3
357.14865	11.7
359.16473	8.2
365.17499	4.8
369.14932	6.7
373.14380	6.8
373.20425	5.3
375.15723	26.7
377.17346	7.0
379.24750	4.4
387.15930	33.4
389.16043	52.2
393.16913	7.2
401.17328	4.7
405.16754	22.1
415.15411	9.4
417.16971	9.7
423.18085	4.6
431.15262	4.1
435.18097	11.1
447.18060	13.3
449.15561	7.9
453.18939	15.5
465.18863	15.4
467.16779	10.9
483.20361	8.9
507.20142	8.3
509.18118	10.4
525.20886	5.7
527.18750	20.0
549.20758	7.6
559.31110	8.2
567.21820	12.2
585.23401	9.0
627.23676	28.7
645.24268	11.3
645.34814	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	644.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61471	4.0
52.83075	3.9
53.03949	5.5
55.05510	20.8
57.03435	10.5
57.07055	7.2
67.05512	54.4
69.07056	18.6
70.13601	12.9
70.13996	9.2
79.05489	32.5
81.07055	54.6
83.08618	7.9
89.06010	13.6
91.05481	52.4
93.07044	43.1
95.04984	5.3
95.08606	36.3
97.10157	5.3
103.01891	3.7
105.07046	31.0
107.08583	16.1
109.10143	11.1
117.07043	12.2
119.08576	18.2
119.31975	3.6
121.10137	17.6
129.06976	7.6
131.08594	27.7
133.08586	8.2
133.10164	19.2
135.11682	9.9
145.10106	12.8
147.11639	8.9
149.09593	4.6
149.13293	8.8
155.08502	4.3
159.11758	8.2
166.17850	4.3
171.11728	6.8
217.85402	4.7
275.20038	9.8
335.22003	7.4
335.25784	100.0
349.23828	32.4
517.24542	4.2
532.40668	5.3
609.45129	69.5
641.14502	4.2
644.45483	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	645.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37845	3.1
53.03960	5.7
55.01862	15.1
55.05515	34.6
65.03938	5.6
67.05502	18.1
69.03434	40.8
74.76546	3.2
78.74025	3.4
79.05490	23.0
79.07347	4.1
81.03410	16.2
81.07054	10.5
83.04987	48.9
85.02893	6.4
91.05479	44.1
93.07037	18.1
95.01305	5.8
95.04968	46.0
95.08610	12.2
97.02914	5.5
97.06541	8.3
98.31898	3.7
103.05481	17.7
105.03432	3.6
105.06382	6.9
105.07037	79.1
107.04951	17.7
107.08573	9.8
109.06514	14.8
111.04459	3.6
115.05431	19.5
116.06268	4.6
117.07019	33.3
119.04930	13.2
119.08596	55.8
121.02879	4.9
121.06535	16.4
121.10104	4.0
123.04437	10.8
123.08052	7.4
125.02416	4.8
125.05989	10.8
128.06245	17.8
128.07047	3.8
129.06989	27.3
131.04936	11.4
131.08575	37.2
133.06491	63.9
133.10120	13.3
135.04460	5.9
135.08025	20.7
137.05956	10.0
139.03899	6.6
139.07545	4.2
141.06982	15.3
142.07806	17.6
142.76233	3.5
143.08591	37.2
145.06480	31.6
145.10127	23.6
147.04395	3.5
147.08025	25.5
147.11650	4.3
149.05977	12.7
149.09608	16.2
151.07549	7.4
153.06999	10.5
154.07802	10.9
155.06056	4.2
155.08621	18.2
156.09360	25.1
157.06522	10.6
157.10138	45.7
158.07231	6.7
159.08035	35.0
159.11697	39.2
161.05997	100.0
161.09633	12.3
163.07544	26.9
165.05666	5.0
165.07031	11.9
166.07776	8.4
167.07256	6.2
167.08621	10.8
168.09355	8.3
169.06482	10.2
169.10155	43.3
170.07297	7.7
170.10957	10.8
171.08072	22.2
171.11688	46.8
172.08810	7.0
172.12263	3.6
173.05992	13.4
173.09631	23.0
173.13249	12.2
175.07541	14.2
177.05533	8.1
177.09085	8.7
178.07785	4.3
179.07048	16.6
179.08594	10.6
180.09398	6.4
181.06511	5.5
181.10129	21.1
182.07230	6.1
183.08089	24.2
183.11697	72.5
184.08818	17.2
184.12477	4.7
185.05992	12.3
185.09613	34.6
185.13283	13.1
187.07585	13.6
187.11156	20.2
189.05470	7.3
189.09183	8.2
189.12758	5.2
191.07016	7.1
191.10660	5.3
192.09377	6.4
193.10150	13.6
194.10892	5.2
195.08098	10.7
195.11710	16.5
196.08833	5.4
197.06015	5.9
197.09595	42.2
197.13283	8.6
198.10339	7.4
199.07535	13.3
199.11209	63.6
200.11882	3.7
201.09140	12.5
201.12704	18.8
202.07838	3.7
203.06955	4.9
203.08696	5.3
203.10692	5.2
205.08510	7.7
205.10201	7.8
205.12029	3.9
206.10913	7.2
207.08078	7.6
207.11668	22.0
208.08759	8.0
208.12534	4.8
209.09662	16.2
209.13231	12.9
211.07523	15.4
211.11195	18.2
212.08391	4.0
213.09052	25.1
213.12761	12.6
215.07076	8.5
215.10611	17.6
217.08376	7.2
217.10138	10.8
217.12183	8.0
218.10890	5.4
219.11859	7.8
220.08972	5.2
220.12424	4.3
221.09631	9.1
221.13228	10.8
222.10335	5.5
223.07562	11.3
223.11079	16.7
223.14822	5.2
225.09132	74.5
225.12752	6.0
227.07002	5.5
227.10687	13.8
229.08540	10.0
229.10429	5.9
229.12294	12.8
230.10855	6.9
231.11722	9.8
232.12491	6.9
233.13374	5.2
233.15446	6.8
234.13823	4.2
235.07507	6.8
235.09441	5.1
235.14920	5.9
237.09125	6.7
237.12715	8.5
239.10674	9.8
241.06529	3.7
241.08421	19.4
243.10179	13.4
243.13954	8.2
244.12469	12.3
245.07851	4.9
245.13388	9.6
245.15479	5.4
247.09410	6.3
247.15073	5.5
248.15562	4.5
249.09142	6.5
251.07062	5.8
251.10776	7.1
251.14351	6.7
253.08578	6.9
253.12297	6.2
255.09929	6.9
255.12001	7.7
257.08124	13.7
257.11517	5.0
257.13544	6.9
258.14023	7.6
259.09457	6.5
259.14874	9.9
261.12845	6.0
263.10648	4.8
267.10214	7.6
267.13879	5.8
268.12454	4.7
269.08023	4.7
269.13174	5.8
270.10260	3.9
270.13873	4.3
271.09509	7.1
271.14789	3.6
272.15613	5.4
273.13058	6.7
273.16309	8.9
275.14392	6.0
277.12140	6.3
279.10242	7.1
279.13742	6.1
283.09851	4.0
285.11014	23.0
285.16202	6.4
286.13568	4.7
287.10791	8.1
287.14200	8.1
289.12146	4.0
289.15353	3.8
299.17636	5.3
300.11655	5.8
300.15109	5.2
301.12360	5.9
301.15826	13.6
303.13480	5.9
305.15207	4.4
311.13998	4.4
314.12921	4.7
315.13925	7.6
315.17453	11.5
317.15298	5.5
319.13116	5.0
319.16806	8.4
327.13483	7.0
329.11789	4.0
329.15283	24.2
331.13287	5.0
331.17001	9.3
333.18463	6.9
341.15277	4.0
343.13147	4.1
343.17017	20.6
345.14828	5.9
347.16428	25.9
349.17850	8.7
357.14664	11.0
359.16284	7.9
361.14230	5.1
361.18069	27.6
363.15891	5.4
365.17474	12.9
371.16043	19.7
375.15921	8.9
377.17551	8.1
379.19290	12.4
385.14200	7.8
387.14819	7.6
389.17642	24.5
391.15289	6.5
393.16928	10.8
395.18616	7.1
399.16135	6.2
401.14075	4.3
403.14807	7.6
403.18988	13.3
405.20966	4.8
407.18515	17.6
413.13947	5.8
417.16974	13.6
421.15182	4.8
421.20798	25.0
425.19516	7.1
431.18091	8.3
433.16324	9.7
435.17932	14.2
439.21286	16.7
445.16443	7.6
449.19794	10.9
451.17535	11.4
453.19125	6.2
463.17401	37.4
467.20621	9.9
481.18454	24.4
485.21661	8.4
507.19858	4.6
523.19550	4.7
531.20129	5.3
535.20026	5.5
537.21521	18.8
549.21094	37.7
567.22388	31.6
585.23157	4.8
609.23474	5.3
627.23743	6.0
645.24200	4.1
645.34210	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	644.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
53.39006	0.9
55.05520	6.9
57.03423	0.9
59.68109	0.9
59.97253	1.0
67.05505	5.0
69.03413	1.1
69.07067	3.1
69.28378	4.8
69.28797	3.1
74.00530	1.0
79.05492	7.5
81.03376	1.1
81.07059	26.5
83.04977	15.3
83.08636	1.9
85.06540	2.7
91.05481	10.3
91.66961	0.9
93.07053	7.6
95.04981	2.6
95.08612	6.7
97.06532	2.0
103.05472	9.6
105.07034	11.3
107.08595	11.9
109.06532	14.7
109.10165	5.1
111.08099	1.8
113.60167	1.2
117.07012	3.6
119.08593	17.7
121.06514	1.1
121.10160	5.6
123.08065	4.8
123.11712	2.4
125.09642	2.1
128.06229	2.0
129.07028	4.8
131.04933	15.6
131.08577	8.9
133.06540	1.0
133.10129	8.6
135.08022	4.9
135.11708	3.6
137.09659	4.3
142.07819	1.8
143.08546	5.9
144.09451	1.7
145.10127	9.0
147.08029	6.3
147.11716	4.6
149.09634	10.4
151.11156	1.2
155.08589	4.1
156.09331	2.5
157.10124	17.0
159.08035	2.0
159.11705	11.0
161.09602	4.8
161.13275	3.8
163.07538	3.2
163.11217	3.4
165.12769	1.9
167.08554	2.0
169.10120	5.3
170.10945	1.5
171.11684	11.6
173.09627	3.3
173.13222	4.6
175.11201	3.4
177.12692	1.7
179.08614	1.4
179.10670	1.5
181.10097	2.9
182.10944	2.0
183.11708	8.1
184.12457	1.3
185.09694	1.9
185.13284	11.0
187.11183	2.7
187.14816	4.5
189.12733	3.2
191.14310	1.1
193.10306	1.7
193.12238	3.1
195.11687	3.4
197.13281	5.6
199.11256	2.4
199.14804	2.2
201.12770	6.2
201.16432	1.5
203.14352	5.0
207.11674	3.1
208.12335	1.1
209.13242	3.0
211.14798	3.1
213.12775	3.0
215.14293	3.5
217.15967	1.2
219.13838	1.0
221.13281	2.0
223.14903	2.5
225.12767	2.6
225.16412	3.2
226.17137	2.2
227.14369	2.1
227.17969	21.2
229.12312	1.2
229.15904	2.0
233.13232	1.2
235.14833	2.4
239.14368	2.0
241.15938	1.8
241.19362	1.0
243.13844	2.6
243.17398	2.7
245.15369	3.1
245.19034	7.1
247.14677	1.3
265.16171	1.4
267.17551	1.4
269.19046	6.0
285.18524	1.6
287.20029	19.8
293.18994	1.7
307.20532	2.4
309.22174	3.1
325.21652	2.8
327.23273	3.6
333.22235	1.6
335.23587	3.3
349.25275	2.9
351.23322	5.0
353.24490	2.4
367.26404	1.8
377.24841	11.2
395.25793	30.4
419.22198	2.4
431.29492	1.7
449.30472	4.4
467.31464	8.2
477.29962	3.2
488.99231	1.3
495.31061	100.0
496.31335	2.3
512.33728	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.05515	41.9
57.07059	1.9
65.02515	0.8
67.05492	5.7
69.07066	1.1
69.60407	4.3
71.04971	1.1
71.08629	1.5
79.05493	4.2
81.03394	0.8
81.07063	11.3
83.04988	100.0
83.08593	1.2
89.06049	6.6
91.05470	3.4
93.07057	4.4
95.04967	1.9
95.08591	2.8
97.06487	1.0
97.10155	0.9
105.07020	4.4
107.08588	3.1
109.06520	3.1
109.10148	2.6
117.06990	1.5
119.08569	3.3
121.10126	3.1
123.08110	1.4
123.11727	1.1
129.06993	1.1
131.08569	1.0
131.63010	1.0
133.08611	3.6
133.10123	2.7
135.08031	1.0
135.11673	1.5
137.09605	1.0
143.08627	1.1
145.10112	2.3
147.08060	1.0
147.11685	1.4
149.09605	1.9
154.61121	0.8
157.10112	1.9
159.11679	1.5
161.09651	2.3
162.79666	0.8
163.11153	2.5
171.11662	0.9
173.09627	0.9
174.70433	0.8
183.11678	1.4
185.13223	1.3
189.96722	0.8
193.12317	1.7
193.51109	0.9
199.14877	0.9
205.12234	0.9
207.84822	0.9
269.19070	1.0
351.23553	0.9
369.24301	1.4
377.24802	4.7
395.25842	2.0
413.26770	1.0
431.29379	1.2
433.27307	0.9
459.28378	2.5
477.30298	4.5
495.31110	47.5
496.31824	1.0
497.32611	0.9
516.64880	0.9
549.35461	0.9
567.36621	1.2
579.97089	1.2
600.42871	0.8
626.46045	4.1
644.46082	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.01875	5.4
55.05515	29.6
57.03445	4.9
57.07052	2.0
58.09084	2.3
65.03941	6.2
67.05509	98.0
69.03429	2.9
69.07076	22.2
71.04988	4.9
74.70928	2.4
79.05499	83.4
81.03423	2.5
81.07063	100.0
83.04987	6.8
83.08630	17.6
85.06543	5.7
91.05491	89.4
92.05797	2.0
93.07050	99.7
95.04966	10.4
95.08611	57.7
97.06518	10.9
97.10155	11.5
99.08092	2.4
105.04521	3.5
105.06307	3.0
105.07032	56.2
107.04945	2.7
107.08604	42.7
109.06528	3.7
109.10152	20.0
111.08090	10.5
117.07032	24.6
119.08584	41.0
121.06519	3.5
121.09316	4.5
121.10149	62.7
123.08074	6.9
123.11699	5.8
125.09652	6.3
128.06172	2.9
129.07014	7.0
131.08582	42.3
133.10141	40.1
133.11093	3.1
135.08067	13.7
135.11707	36.5
137.09590	4.4
141.07001	3.8
143.08591	8.2
145.10139	25.4
147.08066	3.2
147.11681	26.3
149.09628	9.8
149.13278	13.2
153.34462	2.1
155.08583	3.2
157.10132	11.1
159.11688	23.5
160.69319	1.9
161.09683	4.2
161.13269	13.8
163.11215	10.4
165.12715	2.7
169.10139	3.1
171.11671	13.4
173.13248	13.3
175.11118	2.4
175.14873	3.3
177.11295	2.9
177.12729	13.6
183.11671	4.0
185.13246	6.6
195.11974	2.1
195.13841	6.6
197.13356	3.9
211.14742	2.2
213.16373	2.3
239.18034	6.5
241.19586	5.8
257.19086	8.3
259.20566	33.2
261.22409	3.0
273.18585	4.5
275.20102	33.6
277.21655	22.4
291.19583	16.3
293.21603	2.1
315.23331	8.4
333.24207	25.7
335.25851	11.6
342.22437	2.2
347.22699	2.6
349.23758	42.7
351.25290	11.3
364.39539	2.2
365.23355	6.4
367.24893	16.1
545.38293	2.9
551.41925	2.7
599.32257	8.2
607.43542	5.1
625.44696	42.8
643.45728	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	643.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
55.01886	13.5
55.05516	31.3
65.17355	1.6
65.99937	1.8
67.05508	8.5
69.03436	3.7
69.07085	4.3
71.55583	2.4
72.08131	1.8
79.05484	11.3
81.03405	8.5
81.07058	6.1
83.04984	58.1
83.05462	3.6
91.05492	22.4
93.06561	1.9
93.07046	11.8
95.04971	11.5
95.08611	7.5
103.05464	9.3
105.03382	3.9
105.07041	23.4
107.04967	6.1
107.08598	6.8
109.06540	3.3
109.10220	3.3
113.21689	1.9
115.05475	6.4
117.07016	12.8
119.04934	2.0
119.08594	26.4
121.06527	5.3
121.10161	3.7
123.08089	2.1
124.43848	1.8
128.06221	5.6
129.07033	17.5
131.04950	12.4
131.08586	11.6
133.06526	9.6
133.10120	12.1
135.08066	6.0
137.05998	2.3
141.07018	5.7
142.07790	7.1
143.08575	12.9
145.06551	9.0
145.10144	13.5
146.07274	3.3
147.08057	100.0
149.09644	5.1
153.06995	2.8
155.08609	9.4
156.09361	7.2
157.06581	3.0
157.10135	17.8
158.10881	2.2
159.08051	17.0
159.11717	8.4
160.08850	2.1
161.05972	9.5
161.09610	17.9
163.07542	22.2
163.11185	2.0
165.06989	6.0
166.07712	2.5
167.08533	2.5
168.09354	3.6
169.10117	9.4
170.10957	7.7
171.08073	6.1
171.11690	22.2
172.12384	2.5
173.06062	3.4
173.09583	13.0
173.13298	5.2
175.07570	7.0
175.11195	5.1
177.09212	2.0
179.07053	4.6
179.08583	3.2
180.09232	2.5
181.10175	6.0
182.10843	2.7
183.08076	3.7
183.11693	15.4
184.08853	2.2
185.09636	11.9
185.13205	9.3
187.07637	3.7
187.11206	6.1
187.14764	3.2
193.10162	5.5
195.08072	2.8
195.11758	7.3
196.08865	2.5
197.09630	6.9
197.13242	9.3
199.11214	13.5
200.11917	5.0
201.09164	3.8
201.12762	7.8
202.07883	2.1
203.10681	5.2
207.11734	6.5
208.12469	2.4
209.09569	4.1
209.13300	5.4
210.10461	2.5
211.11232	10.0
212.11626	2.5
213.12776	14.5
215.10687	3.9
215.14319	5.7
217.10233	2.8
219.11732	2.1
220.12587	3.3
221.13290	4.8
223.11215	5.0
223.14796	3.9
225.09238	2.1
225.12762	6.1
227.10721	4.0
228.11522	3.7
229.12256	6.5
231.11723	2.9
231.13907	4.2
233.13245	2.7
235.14761	2.7
237.12987	2.6
241.12451	3.2
243.11769	2.5
243.13873	7.2
247.15047	3.6
249.12798	3.9
251.14276	4.4
257.13297	2.2
271.14899	2.3
279.13614	2.0
285.12955	2.3
287.14166	4.0
291.14014	1.9
298.13269	2.1
299.14182	3.0
301.16040	2.8
301.19412	2.3
303.16922	3.2
313.15781	4.1
315.17371	2.2
317.15646	2.4
317.19131	2.6
325.15668	2.3
327.17477	5.6
329.18890	4.5
331.16971	3.7
331.20612	2.8
333.18253	3.1
341.19220	3.7
343.16742	2.8
343.20700	4.8
344.21323	2.5
345.18503	5.7
347.20084	2.7
359.20023	4.0
361.17667	2.4
361.21600	3.6
364.86908	2.3
371.19974	7.1
373.17850	2.8
375.19174	2.0
387.19580	4.9
388.19843	2.4
389.21140	9.0
405.20718	8.6
423.21753	5.1
431.22189	6.3
435.21548	2.7
448.22174	3.5
449.23199	2.0
465.22693	2.9
483.23788	3.7
509.25275	2.7
525.25311	2.2
565.24170	2.1
643.23846	2.2
643.31964	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	643.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.7
55.01860	5.5
55.05510	62.9
56.14810	2.7
57.48206	2.5
57.71297	2.7
67.05494	10.5
69.03419	9.9
69.07067	4.8
71.04995	3.1
76.89683	3.4
78.82108	2.7
79.05486	18.2
81.03413	5.2
81.07055	10.6
83.04482	5.0
83.04984	100.0
91.05489	38.4
93.07037	11.3
95.04971	18.6
95.08635	6.5
97.06525	2.7
98.21574	4.9
99.04435	5.8
103.05461	12.5
103.33353	3.4
105.03394	7.1
105.07031	53.3
107.08592	12.6
109.06525	18.3
109.10144	4.4
115.05455	19.5
117.07029	44.7
117.20993	2.7
119.04912	5.8
119.08583	46.0
121.06497	9.0
121.10110	7.2
123.08060	3.6
125.06006	6.2
128.06207	9.2
129.06993	15.9
130.07787	4.3
131.04926	12.5
131.08580	22.5
133.06499	24.1
133.10144	30.3
135.08076	11.5
137.05975	8.6
141.06984	9.5
141.17723	2.9
142.07791	11.8
143.08568	33.0
145.06505	21.3
145.10132	24.6
147.08054	26.1
149.06084	4.6
149.09641	14.3
151.07555	5.7
152.65616	2.8
153.05568	3.2
153.07062	5.3
155.08594	15.7
156.09351	15.8
157.06482	6.6
157.10136	33.7
158.07181	3.9
159.08090	26.0
159.11720	22.7
161.05994	23.0
161.09589	19.8
163.07545	10.4
163.11176	3.6
165.07028	4.6
165.09102	8.9
166.07762	4.3
167.08572	6.2
169.06601	3.0
169.10141	28.6
170.10970	14.6
171.08101	21.2
171.11690	54.5
172.08910	3.5
173.06082	4.8
173.09627	29.4
173.13220	7.0
175.07550	10.3
175.11121	4.1
177.09108	26.3
179.08528	5.2
179.10698	3.3
180.09389	4.9
181.10141	15.6
182.10805	3.6
183.08099	9.5
183.11684	56.5
184.08748	4.2
185.09639	18.8
185.13283	36.6
187.11191	13.0
187.14856	3.8
189.05458	5.0
189.09160	14.3
191.07121	3.5
191.10580	8.0
192.09358	4.7
193.08562	4.5
193.10112	8.0
194.10927	6.1
195.08014	3.1
195.11739	17.3
196.08940	3.1
197.09634	17.9
197.13200	13.7
198.10371	5.8
199.11182	30.3
201.09135	8.3
201.12791	13.0
203.06897	3.4
203.08673	4.8
203.10651	10.9
205.10300	4.0
205.12193	4.8
206.10899	5.8
207.11682	15.1
208.12482	8.8
209.09572	8.4
209.13277	10.8
211.11171	22.5
211.14735	3.4
213.09178	7.3
213.12737	36.1
215.10645	7.6
217.10246	4.1
217.12187	6.7
218.10960	5.6
219.09918	4.6
219.11728	8.9
220.12384	4.8
221.09570	5.7
221.13268	14.7
223.11154	12.4
223.14787	13.0
225.09116	7.9
225.12636	5.6
227.10666	9.0
228.09384	3.8
229.10263	5.4
229.12250	9.9
230.10901	10.9
231.09895	5.8
231.11726	10.4
231.13815	10.5
232.12509	6.2
233.09531	5.7
233.13324	10.7
234.13889	3.7
235.11224	6.8
235.14780	7.7
237.12746	6.3
239.10680	5.8
241.12286	10.5
242.10854	3.9
243.11876	3.8
243.13908	7.8
244.12488	7.2
245.13229	10.3
245.15240	16.5
246.14075	5.7
247.11151	7.6
247.14836	10.7
248.11867	3.8
251.10724	3.5
251.14326	18.8
253.12204	5.9
254.10939	5.4
255.11682	8.5
256.12396	5.6
257.13419	7.8
258.14008	6.6
259.10992	5.6
259.15164	7.4
260.11911	3.5
260.15482	5.2
261.12595	8.3
261.16595	6.7
263.14209	4.0
265.12250	5.0
267.13943	5.9
269.13159	9.9
270.14017	5.9
271.14914	9.2
272.15601	8.1
273.12482	6.0
273.14841	8.0
275.14291	4.8
275.17868	4.6
277.12289	6.1
277.15799	4.7
279.13840	12.0
283.11044	3.6
284.15482	4.8
285.12921	5.7
285.16373	18.0
286.13522	5.9
286.16873	6.6
287.14227	13.3
287.17722	6.0
288.15106	5.5
289.15753	11.7
291.13593	4.1
293.15366	4.2
297.12674	7.6
298.13556	4.5
299.14206	8.5
299.17520	6.7
300.14993	5.0
301.12375	5.7
301.15869	10.3
302.16638	3.2
303.14014	3.7
303.17416	15.1
305.15515	5.6
309.14938	3.2
312.14990	4.6
313.12506	4.7
313.15750	14.4
314.13019	3.2
315.13745	6.3
315.17432	6.5
317.15356	6.9
317.18893	12.5
319.16788	8.1
321.18427	8.5
327.13876	3.1
327.17520	13.9
329.15411	8.8
329.18979	3.8
330.16302	6.4
331.13477	4.6
331.16907	26.4
333.14932	8.7
333.18469	4.5
335.16440	4.8
335.19995	5.6
341.15298	5.2
342.39432	3.4
343.16846	9.2
345.14624	3.1
345.18469	38.7
347.16132	4.4
347.20059	3.8
349.17868	8.3
355.16931	10.7
357.14584	5.6
357.18488	7.6
359.16342	16.8
359.20261	6.2
361.17947	11.5
363.19644	14.5
365.17438	4.4
373.18018	42.7
375.19498	10.3
377.21182	10.7
383.16626	4.7
385.17960	7.0
387.19461	16.2
389.17261	6.7
391.19028	23.5
395.22510	4.2
401.17465	14.8
403.19360	19.0
405.20706	29.1
407.18399	8.0
409.20114	5.8
415.18890	7.6
419.18295	21.5
421.20102	10.6
423.21771	14.8
433.20221	13.8
435.21783	5.0
437.19012	20.1
439.20807	3.7
447.21756	6.7
451.21271	19.0
465.22794	11.3
483.23828	16.3
497.21725	7.3
525.24811	7.1
526.63513	3.0
543.25800	7.9
611.28601	5.5
643.30591	17.9
660.92273	3.9
673.70825	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53137	2.0
53.03945	3.8
55.01877	19.7
55.05508	6.9
57.07066	1.8
65.03951	3.2
67.05507	11.0
68.09093	1.8
68.19271	1.6
69.03435	7.1
69.07068	5.4
70.06597	3.3
79.05499	16.8
80.10207	2.1
81.03424	19.1
81.07076	12.2
83.05008	3.5
83.08643	2.3
86.63433	2.3
91.05481	42.9
93.07055	13.1
95.04968	20.1
95.08630	6.7
97.02892	2.6
97.06509	2.2
97.10162	2.3
103.05461	6.1
105.07041	32.2
107.04982	7.7
107.08585	13.7
109.06512	6.6
109.10172	2.8
111.08108	3.1
112.37682	2.0
115.03878	2.0
115.05453	20.2
116.06252	4.9
116.07055	3.8
117.07018	36.9
119.08586	49.1
121.06525	10.1
121.10154	7.1
123.08061	4.3
123.93147	2.3
127.05491	2.1
128.06236	8.9
129.07007	30.3
130.07785	5.6
131.04924	3.7
131.08553	26.1
132.05754	2.7
133.06477	3.7
133.10127	8.4
135.08076	9.1
135.11737	2.3
141.07036	6.1
142.07855	9.1
143.08554	22.1
144.05739	3.8
144.09346	2.3
145.06500	25.4
145.10120	29.4
147.08054	87.4
147.11703	2.3
149.09630	12.6
153.07060	2.8
154.07788	4.8
155.08562	13.7
156.09351	8.2
157.06511	3.3
157.10126	40.9
158.07237	4.0
158.10835	2.4
159.08057	50.7
159.11699	35.0
161.09622	25.3
163.07549	100.0
165.06990	2.8
167.08572	6.0
168.09387	6.1
169.10129	26.9
170.10896	6.1
171.08090	4.8
171.11661	21.3
172.08864	4.5
173.06003	8.2
173.09621	41.4
173.13272	10.3
175.07573	16.8
175.11206	4.6
175.83130	2.0
177.09090	2.9
177.75690	2.1
179.08534	3.2
180.09335	4.3
181.10117	6.7
183.08136	4.8
183.11711	50.3
185.09601	12.4
185.13264	34.1
186.10417	2.4
187.07576	5.6
187.11185	20.6
189.09125	2.4
191.10655	3.2
192.09531	2.7
193.10223	6.5
193.12155	1.8
195.08099	3.0
195.11700	8.1
196.08827	2.5
197.09612	17.1
197.13303	4.1
199.11218	15.1
201.09116	19.0
201.12756	23.5
205.10280	3.6
206.10939	3.0
207.11700	10.2
208.12387	3.0
209.09682	4.7
209.13368	4.4
210.10558	2.3
211.11191	16.0
213.09138	3.3
213.12741	7.8
215.10747	7.9
217.10342	3.4
217.12296	9.4
218.11206	2.2
219.11757	2.9
220.08665	1.9
221.13303	7.6
223.11235	6.0
225.12680	3.8
227.10690	4.9
229.12273	26.9
230.10896	4.5
231.11813	4.1
231.13852	3.5
232.12569	3.5
233.09648	4.0
233.13400	3.2
233.15398	8.5
234.10416	2.5
235.11227	3.5
235.14876	4.0
237.12796	6.9
239.10669	4.7
241.12164	2.5
242.11147	2.4
243.11778	3.0
243.13811	11.4
244.12592	4.6
245.09499	3.9
245.13382	3.6
245.15498	3.2
246.10172	2.2
247.11128	3.1
247.14896	5.9
248.12350	2.5
249.12724	6.2
251.14395	2.6
255.13918	3.8
256.12509	3.0
257.13428	4.9
258.14050	3.1
259.10968	4.3
259.13266	12.4
261.12576	4.1
261.14789	13.8
263.10358	2.4
263.14371	5.0
267.16046	4.8
268.16486	4.8
268.34662	1.9
271.10910	2.9
271.15231	2.3
272.15561	3.2
273.12695	6.3
274.13525	2.2
275.14346	6.2
285.12430	9.3
286.13712	4.7
287.14380	4.5
287.17654	2.4
291.13794	2.4
291.19675	4.1
292.19855	5.7
293.15460	2.6
297.16443	2.3
298.13477	2.9
299.14279	8.0
300.15027	6.1
301.16147	4.4
309.12671	3.2
310.13727	3.2
313.12448	2.9
313.15909	5.6
315.14050	3.7
315.17456	24.7
317.15335	4.4
325.15872	4.0
327.13785	4.7
329.15601	2.6
329.19110	14.4
333.18469	7.4
339.17291	3.3
341.15524	3.7
343.16855	8.2
347.20129	6.4
357.18451	17.9
359.16608	2.5
361.17798	2.9
365.23386	2.1
366.23703	4.4
373.18048	2.1
375.19519	14.4
377.17496	2.6
385.18048	9.4
389.21143	30.0
399.19861	4.0
403.19141	9.9
407.22348	11.7
417.20602	22.5
435.21692	25.2
453.22531	3.0
477.22653	6.7
495.23853	11.1
545.38062	3.0
558.34961	12.3
611.28564	2.8
643.24109	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	643.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.01870	6.2
55.05514	74.2
56.11662	0.9
65.03938	1.9
67.05506	9.0
69.03407	3.3
69.07068	4.7
69.75851	5.0
74.09709	3.8
76.29044	0.9
77.03929	1.4
79.05497	16.6
81.03406	5.5
81.07053	9.8
83.04984	100.0
84.29218	1.1
87.78903	1.0
91.05488	25.3
92.19312	1.0
93.07046	24.7
95.04976	11.8
95.08612	13.8
103.05492	5.3
105.04516	1.4
105.07035	34.6
107.04939	4.1
107.08588	11.7
109.06544	7.9
109.10135	1.9
109.73485	1.0
111.08125	1.5
112.09302	1.0
115.05469	7.9
116.06247	1.1
117.07016	14.6
119.04932	3.0
119.08582	22.6
121.06510	9.5
121.10138	12.0
121.92781	1.0
123.04393	1.7
123.08060	8.8
128.06230	5.8
129.07019	8.2
130.07767	1.9
131.04909	4.6
131.08578	19.1
132.05630	1.3
133.06496	21.3
133.10129	17.7
135.07117	1.2
135.08070	15.6
137.09610	1.9
141.05479	1.0
141.06967	6.3
142.07764	10.0
143.07516	1.4
143.08563	21.2
144.09354	2.7
145.06491	9.6
145.10129	13.5
146.07201	1.3
147.08075	9.9
147.11676	4.0
149.05972	5.8
149.09633	25.8
150.06728	5.0
151.07538	8.4
153.06982	3.9
154.07747	3.1
155.08560	12.2
156.09351	21.3
157.06514	2.2
157.10135	36.6
158.07321	2.3
159.04446	1.5
159.08087	11.9
159.11670	10.7
161.06006	10.7
161.09647	9.2
162.48933	1.1
163.07545	3.0
163.11172	5.3
165.06992	4.4
165.09114	1.7
166.07695	2.3
167.08566	4.6
168.09344	5.6
169.06438	2.0
169.10126	21.9
170.10910	20.5
171.08095	13.6
171.11693	86.1
172.08739	3.3
173.08284	1.3
173.09633	14.8
173.13203	6.2
175.07561	2.0
175.11194	4.9
177.05481	1.2
177.09109	2.3
178.07782	1.2
179.07018	9.7
179.08543	3.7
180.09286	4.1
181.08765	1.1
181.10130	8.4
182.10909	4.3
183.08136	5.1
183.11705	61.0
184.08820	3.0
184.12448	2.7
185.09671	13.3
185.13266	67.6
186.10341	1.9
187.07570	1.6
187.11171	9.1
187.14740	1.4
189.09106	3.8
189.12708	1.7
191.08591	1.1
191.10678	2.0
192.09273	1.5
193.10133	6.3
194.10902	3.7
195.07997	1.5
195.11688	13.1
196.08777	1.8
196.12404	1.5
197.09645	8.8
197.13271	13.2
198.10420	4.9
199.07535	4.6
199.11182	20.4
200.11932	4.6
201.09099	4.9
201.12793	7.8
202.07738	1.8
203.08649	1.9
203.10715	2.8
204.09306	2.0
205.10168	2.8
205.12250	4.1
206.10887	3.3
207.11736	10.3
208.12502	2.3
209.09631	3.1
209.13220	5.1
211.11197	13.3
211.14706	1.7
212.11935	1.3
213.09262	2.5
213.12744	77.4
215.08696	1.6
215.10674	3.9
215.14233	1.9
216.09296	1.5
217.08492	2.8
217.10194	3.0
217.12251	3.5
218.10855	2.9
219.11784	5.5
219.13495	1.2
220.12465	4.3
221.09698	2.3
221.13309	8.8
222.10376	1.3
223.11208	8.9
223.14734	3.3
224.11916	1.1
225.09070	1.6
225.12752	5.2
225.16357	1.3
227.10695	3.5
229.10120	3.9
229.12238	11.2
230.10832	2.3
231.07939	1.9
231.10107	7.1
231.11737	5.3
231.13831	4.3
232.12469	5.0
233.09682	1.9
233.13332	8.7
233.15437	1.7
234.10391	1.2
234.13972	1.8
235.11165	3.0
235.14967	6.0
237.12680	6.0
237.16393	1.7
238.13519	1.5
239.10608	2.8
241.10071	1.6
241.12239	9.7
243.11627	4.4
243.13831	23.2
244.12502	4.4
244.14651	1.2
245.09616	1.4
245.13239	8.2
245.15401	48.9
246.10336	2.5
246.13968	3.6
247.11082	3.5
247.15173	5.5
248.12088	1.7
248.15706	1.7
249.12758	3.3
249.16351	3.7
250.13414	1.3
251.14261	2.8
255.11600	5.0
255.13838	8.4
256.12344	1.9
257.11426	3.2
257.13275	3.4
257.15533	2.4
258.13925	4.5
259.11093	3.2
259.12857	2.0
259.14792	5.8
260.11932	2.0
260.15604	4.1
261.12643	2.1
261.16837	5.1
263.10553	1.2
263.14203	3.2
263.18234	1.5
265.15967	2.3
267.13956	1.5
269.13150	4.9
270.14069	4.3
271.13098	7.3
272.11743	1.9
272.15735	1.9
273.14819	47.4
274.13483	2.6
274.17389	1.5
275.14639	5.4
275.17834	5.2
277.15787	4.3
279.14035	2.1
279.17273	1.1
283.11185	2.9
283.14706	2.0
284.15598	2.4
285.12833	1.8
285.16293	7.6
286.13483	2.8
286.16989	1.8
287.14218	4.8
287.17596	1.9
288.15094	3.1
289.14066	4.7
289.19510	2.8
290.16867	1.1
291.13586	1.7
291.17294	3.7
293.19006	2.7
298.13412	3.9
299.14664	2.2
299.17892	4.9
301.12570	1.5
301.15808	6.3
302.16595	2.4
303.14063	1.7
303.17426	15.2
305.15295	2.3
305.19113	2.4
307.20596	1.4
312.15005	3.4
313.15857	8.0
314.16620	1.4
315.13696	1.4
315.17303	3.7
317.15579	1.7
317.18927	9.5
319.16751	2.3
319.20474	1.8
321.15170	1.1
321.18484	6.1
327.17334	8.5
331.16959	12.9
333.17252	3.6
335.19952	3.8
343.17059	1.8
345.18530	19.4
349.17993	7.7
355.17273	1.6
357.18069	1.2
359.20065	3.6
361.17935	3.0
363.19598	11.2
365.21277	1.5
373.17935	10.5
375.19492	2.8
377.21191	11.1
381.20779	1.3
387.19598	6.6
391.19089	9.9
393.20166	3.4
395.22092	7.3
405.20575	23.6
409.20117	1.2
423.21710	22.3
441.22836	3.1
465.22498	3.6
483.23492	3.6
487.24710	1.6
505.25766	2.0
543.25403	2.7
577.72797	1.2
625.29962	1.2
625.90448	1.2
643.23895	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	643.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.3
53.58965	3.6
54.23743	3.7
55.05513	71.7
57.11478	3.2
67.05487	11.6
69.03419	12.4
69.07050	6.9
79.05471	17.0
81.03420	7.9
81.07050	9.6
83.04982	100.0
91.05482	32.6
93.07036	17.2
95.04951	12.2
95.08590	11.3
102.90899	3.5
103.05450	7.7
105.03389	6.7
105.07043	39.8
107.08575	15.9
107.30652	4.5
109.06513	7.8
115.05452	8.5
117.07001	21.5
119.04923	7.3
119.08582	33.4
121.06469	9.1
121.10126	6.9
125.02291	5.2
128.06227	10.9
129.06999	14.4
131.08562	25.5
133.06473	12.9
133.10121	26.3
135.08054	13.5
141.06953	6.0
142.07770	12.1
143.08557	26.1
145.06483	15.6
145.10121	19.5
147.08054	21.2
147.11627	4.1
149.09607	14.0
153.07008	8.2
154.07751	4.6
155.08572	12.9
156.09332	12.7
157.10133	35.2
159.08083	15.6
159.11638	19.0
161.05952	9.2
161.09608	14.0
163.07533	6.7
165.06993	11.8
165.09131	4.6
167.08469	4.8
168.09364	8.1
169.10153	21.7
170.10959	10.4
171.08058	9.6
171.11681	35.0
172.08733	4.3
173.09630	18.0
173.13229	5.7
175.07547	6.2
175.11163	7.7
177.09120	19.9
179.08502	9.5
180.09435	5.3
181.10098	18.2
183.08089	9.6
183.11705	53.0
184.08820	3.7
185.09676	11.0
185.13248	28.9
187.07549	6.4
187.11203	8.9
189.09177	7.3
192.09248	4.5
193.08540	3.8
193.10120	18.4
194.11024	4.8
195.11684	13.1
196.12476	4.6
197.09628	16.5
197.13214	13.4
198.10458	5.3
199.07625	4.2
199.11229	19.8
200.11874	4.1
201.09094	9.2
201.12730	6.1
206.10907	7.2
207.11702	16.0
208.12476	6.9
209.09677	7.2
209.13272	7.6
211.05835	4.2
211.11176	16.6
213.12695	34.8
215.08652	5.4
215.10625	4.4
217.10100	12.4
217.12086	5.3
218.10953	7.2
219.11745	8.1
220.12486	7.2
221.09631	6.4
221.13234	12.6
222.10590	4.7
222.13951	5.4
223.11131	11.8
225.12712	10.0
227.10583	5.4
229.12132	5.4
230.10864	8.3
231.11661	12.3
231.13785	7.9
232.12292	8.6
233.13216	14.6
234.13739	5.0
235.11220	6.5
235.14799	12.1
237.09004	3.9
237.16460	6.8
239.14470	4.1
241.12274	6.8
242.10909	6.5
243.11671	9.6
243.13852	6.0
244.12387	11.6
245.13132	12.2
245.15489	10.8
246.13913	11.9
247.11203	4.5
247.14801	13.5
249.12834	5.5
251.14249	14.2
255.11789	5.0
257.13177	10.9
258.14014	5.9
259.14935	7.5
260.11948	6.7
261.12738	9.8
261.16425	12.0
263.10699	6.2
263.14410	6.6
265.15817	6.3
267.11655	6.6
268.12347	4.6
268.53009	4.1
269.13235	12.3
270.13971	8.3
271.14880	10.2
273.12415	6.2
273.14835	10.6
275.14426	4.2
275.17850	8.2
283.11520	5.2
283.14801	13.1
284.15509	8.2
285.16342	9.3
287.14517	8.2
287.17670	5.0
295.14706	6.6
297.12817	5.3
297.16388	5.7
298.13620	4.0
299.14261	8.3
300.14734	4.3
301.12390	5.2
301.15869	7.5
303.13916	3.8
303.17413	11.7
305.18314	4.3
311.14050	4.9
312.14801	5.9
313.15881	8.2
315.17340	4.1
317.15298	5.7
319.16757	6.8
327.13998	6.0
327.17627	5.7
329.15405	9.8
331.13290	5.5
331.16824	13.8
331.20343	5.3
333.14532	4.8
339.13730	5.4
341.19034	8.5
343.16898	7.6
345.14914	4.5
345.18445	19.0
347.16397	27.2
357.18463	8.1
359.20050	16.7
361.18002	9.2
363.15234	4.3
363.19513	7.7
365.17352	6.6
369.18469	14.1
373.17984	20.7
375.19547	17.1
377.21054	16.0
387.19489	56.8
391.19000	10.8
393.20444	4.8
395.22076	4.0
403.19168	8.5
405.20535	73.8
419.18204	5.8
421.19888	4.1
423.21704	30.4
433.19827	5.8
447.21545	8.5
451.20737	4.8
465.22824	42.5
483.23633	28.7
525.24646	7.2
611.28418	11.3
625.30164	21.3
643.31732	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	643.3118
Annotation	Amotsangin G
Peak:m/z	Relative Intensity
53.03942	4.3
55.01858	1.8
55.05516	59.6
57.07051	1.6
60.22418	1.4
67.05501	5.1
67.88564	1.3
69.03435	2.9
69.07080	2.7
69.68666	2.5
69.68981	9.1
71.01354	6.6
71.04018	1.5
79.05491	8.0
81.07074	8.0
83.04989	100.0
91.05490	13.5
93.07037	7.8
95.04984	5.6
95.08603	8.7
103.05478	6.1
105.03398	3.5
105.07047	17.2
107.04948	4.5
107.08607	8.1
109.06519	4.4
109.10175	1.9
115.05467	4.3
117.07053	8.2
119.04945	2.6
119.08606	13.0
121.06544	5.4
121.10109	3.0
121.83134	1.5
123.04453	1.7
123.08109	2.8
128.06252	4.2
129.06989	4.7
130.07744	1.7
131.04948	6.6
131.08582	10.1
133.06511	10.5
133.10152	9.7
135.04329	1.7
135.08090	5.1
137.05949	1.8
137.09595	1.9
141.07005	2.9
142.07782	5.7
143.08565	10.4
145.06479	5.8
145.10127	11.4
147.04431	1.9
147.08057	12.2
147.11620	1.5
149.05975	13.2
149.09683	5.3
151.07562	4.9
154.07683	1.6
155.08574	6.5
156.09387	10.2
157.10144	19.6
159.08063	7.1
159.11667	8.2
161.05989	6.6
161.09651	11.5
163.07561	6.4
163.11227	3.9
165.06955	3.1
165.09137	6.4
167.08560	3.6
168.09424	1.7
169.10167	9.3
170.10904	6.6
171.08099	9.0
171.11700	39.4
172.08784	2.2
172.12085	2.3
173.05986	2.4
173.09636	9.8
173.13290	2.9
175.07567	3.7
175.11171	2.7
177.09157	5.7
179.07173	3.0
179.08542	3.0
180.09317	2.7
181.10187	4.8
182.10928	2.7
183.08147	3.2
183.11713	22.5
184.08754	2.7
184.12215	1.6
185.09647	9.2
185.13277	30.9
187.07465	2.1
187.11205	6.2
187.14951	2.1
189.09129	4.5
191.10649	2.5
192.09242	1.8
193.08560	3.0
194.11057	2.4
195.11723	6.7
197.09610	6.2
197.13330	7.8
198.10376	3.0
199.11198	12.0
200.11990	2.5
201.09200	3.7
201.12715	4.3
203.08626	2.3
203.10675	2.1
205.10242	3.1
205.12233	4.2
206.10901	3.8
207.11667	4.9
209.09731	2.3
209.13223	4.1
211.11185	7.6
211.14917	2.2
213.09245	2.3
213.12758	36.7
215.10648	2.9
215.14369	1.6
217.12086	2.9
218.10983	2.6
219.11754	4.1
220.12555	2.8
221.13313	5.5
223.11169	3.9
223.14847	2.2
225.12807	2.0
227.10655	2.8
229.12277	4.1
231.11707	4.6
231.13797	3.9
232.12440	2.3
233.11482	1.9
233.13451	2.9
235.14827	3.0
237.12842	1.9
241.12325	4.9
243.11699	2.7
243.13876	4.2
244.12376	3.6
245.13234	6.0
245.15405	18.9
246.14006	3.8
247.11032	2.3
247.14745	4.6
248.15665	1.6
249.12671	3.3
249.16397	4.5
255.11646	2.8
255.13931	4.7
258.14081	3.4
259.14798	4.4
260.11984	2.3
260.15585	3.4
261.12720	3.2
261.16461	6.3
262.13498	2.1
263.14377	3.0
265.16119	2.0
267.13855	2.4
269.13196	2.0
270.14090	2.9
271.14914	1.8
273.12332	2.5
273.14777	15.7
274.13318	1.9
275.14587	1.4
275.17966	5.9
277.15869	2.0
279.13895	2.1
279.17065	2.5
282.14075	1.7
284.15433	1.9
285.12915	2.3
285.16403	3.1
287.14233	2.6
289.15735	2.3
291.17487	2.6
293.19073	2.0
297.12738	1.9
298.13638	2.0
301.15762	3.6
303.13837	3.1
303.17404	6.5
314.12888	2.0
315.17307	3.4
317.18805	2.9
319.17188	2.8
321.18369	4.2
327.17474	4.4
329.15323	2.7
331.16953	7.3
333.18262	3.8
335.20068	5.0
337.18127	1.8
343.16815	3.6
345.18405	10.6
347.16278	2.5
349.17935	5.6
351.19571	1.9
353.21249	3.4
355.16867	2.1
361.17963	5.0
363.19452	6.2
373.17966	7.7
375.19568	2.1
377.21469	2.6
387.19540	4.1
391.19031	9.9
393.20441	6.3
395.22153	3.5
395.56934	1.8
401.17657	2.3
405.20587	12.4
421.20096	2.2
423.21771	15.9
439.21298	2.8
441.22723	3.8
451.21109	4.8
465.22668	3.5
469.22287	1.9
483.23920	8.1
501.24823	2.0
511.23615	1.9
525.24860	1.5
543.25574	3.9
611.28528	1.7
625.30127	2.2
643.23346	2.1
643.32397	2.5
651.62946	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.9
55.01873	9.1
55.05517	68.9
57.07068	12.6
64.69065	3.7
66.92266	3.5
67.05495	11.3
67.58014	3.8
69.03436	31.8
69.07072	10.4
71.05019	4.6
74.90021	3.9
78.04659	3.6
79.05497	25.7
81.03413	7.7
81.07066	10.8
83.04984	100.0
85.02876	4.5
85.69733	4.1
91.05478	47.0
93.07050	20.6
95.04969	13.7
95.08603	15.6
97.06519	8.0
99.04467	4.0
103.05453	13.7
105.03387	10.6
105.07030	66.7
107.04963	5.4
107.08589	16.9
109.06508	16.0
110.17512	4.4
115.05467	18.0
116.06219	6.4
117.07014	44.2
119.04929	10.6
119.07790	6.7
119.08585	76.8
121.02831	4.1
121.06489	11.7
121.10148	9.7
123.08035	5.5
124.03275	4.4
128.06206	17.7
129.07005	23.7
130.07777	8.3
131.04915	17.4
131.08574	40.6
133.06494	38.2
133.10126	42.2
135.08040	14.7
137.06050	4.7
141.06964	11.7
142.07785	13.3
143.08563	33.0
144.09288	5.0
145.06458	28.5
145.10156	36.4
147.08067	37.7
149.05995	5.1
149.09615	16.3
151.07515	5.5
153.07001	10.5
154.07756	5.9
155.08543	23.2
156.09383	24.6
157.06413	7.0
157.10129	59.2
159.04341	6.0
159.08107	24.4
159.11670	16.7
161.06055	22.4
161.09599	25.3
163.07593	14.5
163.11221	6.9
165.09131	6.2
166.07741	5.4
167.08540	11.7
168.09322	13.1
169.06531	4.4
169.10138	34.2
170.10881	19.1
171.08101	23.6
171.11700	79.5
172.08778	4.8
173.06013	5.5
173.09607	38.6
173.13226	9.7
175.07510	14.8
175.11172	8.5
177.09137	23.1
178.07791	5.1
179.07092	6.1
179.08575	11.0
180.09383	8.7
181.10139	19.0
183.08087	8.9
183.11697	71.6
184.08798	9.1
184.12141	4.6
185.06013	4.8
185.09659	21.5
185.13254	61.6
187.07620	6.9
187.11143	15.9
189.05446	8.5
189.07066	3.7
189.09090	13.7
191.07005	7.2
191.10703	6.4
192.09380	5.6
193.08542	9.0
193.10158	16.0
194.10852	6.3
194.85751	4.8
195.08049	5.3
195.11714	25.5
196.08809	4.7
196.12489	4.9
197.09618	18.4
197.13264	16.3
198.10309	8.5
199.07600	6.1
199.11192	48.1
201.09117	9.8
201.12733	11.1
203.07011	6.8
203.10568	5.3
205.10207	7.0
205.12070	5.1
206.10907	9.9
207.11687	18.1
208.08789	7.3
208.12427	12.7
209.09561	11.1
209.13211	12.3
211.07730	4.3
211.11226	23.9
213.09087	13.6
213.12752	51.5
215.08693	5.6
215.10632	9.9
217.10277	8.7
217.12137	6.9
218.10863	9.7
219.11687	13.6
220.12434	10.0
221.09671	8.4
221.13329	23.7
223.11166	14.8
223.14793	6.5
225.09053	8.5
225.12833	9.4
227.10655	9.1
229.10210	9.1
229.12254	13.3
230.10896	4.8
231.11697	11.4
231.13780	15.9
232.12482	12.8
233.13330	19.5
234.10414	5.1
234.13911	6.6
235.11171	9.7
235.14845	10.9
237.12804	9.6
239.10754	4.6
239.14368	5.3
241.12173	13.8
243.11598	13.5
243.13824	10.9
244.12483	8.6
245.13219	19.9
245.15266	21.2
246.14030	9.9
247.11206	8.2
247.14903	9.2
248.11955	4.8
249.12781	11.5
249.16367	8.0
251.10728	6.2
251.14282	17.2
253.12186	8.1
255.11734	10.9
255.13937	7.3
256.12439	9.8
257.13266	14.1
258.13947	11.8
259.11014	9.8
259.12964	7.4
259.15189	9.3
260.11774	7.5
261.12720	12.5
261.16318	12.3
263.14319	6.8
269.13168	16.7
270.13995	16.5
271.10809	4.7
271.14752	13.6
272.11990	6.1
272.15567	5.9
273.12622	12.0
273.15076	5.9
274.13666	6.0
275.14313	7.6
275.17914	11.2
277.15829	7.5
277.18671	4.1
279.13934	6.5
284.15454	5.9
285.12570	5.1
285.16312	14.3
286.13565	7.2
287.14328	13.0
287.17557	5.1
289.15762	7.1
291.14044	5.0
291.17560	7.9
296.15671	4.8
297.12576	8.2
297.16006	6.1
298.13354	5.6
299.14282	10.9
299.17795	9.3
300.15247	4.9
301.12381	6.2
301.15826	13.2
302.16473	9.6
303.14151	6.6
303.17130	20.1
305.15317	9.2
307.16785	4.5
313.15817	12.4
315.13885	12.1
315.17368	14.6
317.15176	5.2
319.17032	8.0
321.18466	11.5
327.17242	13.5
329.15289	10.4
329.19202	6.1
331.16879	33.4
333.18332	10.3
335.20282	7.2
339.19543	5.0
341.15265	10.5
343.16934	9.6
345.18475	34.7
347.16309	8.2
347.20224	6.2
349.17905	8.2
355.16785	12.5
357.14581	5.5
357.18381	15.5
358.19284	5.6
359.16360	13.9
359.20322	8.6
361.17868	9.6
363.19333	15.3
365.17419	6.0
373.17993	39.4
375.19675	21.8
377.17163	8.9
377.21234	9.9
383.16284	7.5
385.18039	9.0
387.19464	12.4
389.17197	4.6
391.19003	36.9
393.20572	12.8
395.22321	8.7
401.17386	17.9
402.28040	4.8
403.19064	29.0
405.20544	26.5
407.18585	5.7
409.20062	12.8
415.19101	6.9
419.18414	43.8
421.20053	21.1
423.21674	22.6
430.18054	4.9
433.19995	13.3
435.21396	5.4
437.19250	46.3
439.21567	4.1
451.21118	11.4
455.20319	4.6
465.22647	14.4
479.20569	5.9
481.22278	8.2
483.23819	20.9
497.21548	16.0
541.24219	6.2
543.25629	7.0
643.32721	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	643.3112
Annotation	Amotsangin G
Peak:m/z	Relative Intensity
53.03936	10.7
55.01886	4.7
55.05265	4.4
55.05511	72.2
65.03951	3.5
66.21159	2.8
67.05479	7.2
68.76267	2.8
69.03438	6.5
69.07065	7.5
69.13747	2.9
79.05485	13.5
81.07058	9.6
83.04987	90.8
91.05479	45.2
93.07056	16.7
95.04958	15.0
95.08626	8.6
97.06512	6.8
103.05456	7.7
105.03354	5.5
105.07038	47.0
107.04944	6.7
107.08596	12.7
109.06511	9.6
111.04441	14.7
115.05448	21.7
116.06191	4.6
117.07018	52.1
118.17842	2.8
119.04961	4.4
119.08591	54.2
121.06527	9.6
121.10147	6.5
123.08077	4.5
125.02301	4.8
125.05991	6.2
128.06242	9.2
129.07025	17.9
129.37068	3.0
129.38080	3.5
130.07800	3.6
131.04921	8.2
131.08589	36.6
133.06503	23.2
133.10120	31.0
134.07321	6.5
135.08047	15.5
137.05930	6.3
141.07002	7.2
142.07785	16.6
143.08572	33.8
144.09341	5.3
145.06497	29.7
145.10146	26.4
146.07204	3.8
147.08034	26.8
147.11664	4.9
149.09654	15.5
150.06749	5.5
151.07501	3.9
153.06976	4.9
154.07822	7.0
155.08543	12.5
156.09335	15.3
157.06554	4.8
157.10149	42.7
158.07170	3.0
159.08083	29.6
159.11699	32.7
160.05193	6.0
160.08788	4.5
161.05957	19.1
161.09598	17.5
162.06769	12.7
163.07530	13.5
165.07059	8.8
165.09030	3.2
166.07817	3.2
167.08542	8.9
168.09253	7.1
169.10141	32.5
170.10864	12.3
171.08046	14.7
171.11691	37.4
172.08859	6.4
173.05945	8.6
173.09628	25.7
173.13268	10.5
174.06783	4.1
175.07555	33.4
175.11147	7.9
176.08293	8.4
177.09111	100.0
178.06242	8.2
178.07712	4.4
179.08551	8.5
179.10603	2.8
180.09271	4.8
181.10078	14.7
182.10916	5.7
183.08070	8.6
183.11702	47.4
184.08749	4.9
184.12102	4.4
185.09612	19.3
185.13245	25.0
187.07504	7.5
187.11168	22.2
188.08482	3.8
189.09113	26.6
189.50568	2.9
191.07007	5.8
191.10699	13.0
192.09303	4.7
193.08588	21.2
193.10185	14.5
194.10846	4.4
195.08009	4.0
195.11708	15.2
197.09569	19.5
197.13278	12.5
198.10233	3.6
198.14096	3.3
199.11211	31.4
200.11916	5.0
201.09087	9.2
201.11154	3.3
201.12724	21.0
202.07829	3.3
203.10658	13.0
205.08589	11.3
206.10893	8.2
207.11676	18.2
208.12471	5.5
209.09679	7.8
209.13303	12.7
210.10428	4.7
211.11246	18.2
213.09120	8.9
213.12788	24.3
215.10681	6.1
215.14227	3.6
216.09369	4.8
217.10175	8.6
217.12215	5.2
218.11050	5.9
219.11685	10.4
221.13283	18.5
223.11171	8.5
223.14769	6.5
225.09149	6.5
225.12712	5.6
227.10709	11.4
229.10245	5.6
229.12299	20.5
230.10867	4.4
231.11685	11.4
231.13754	5.0
232.12439	8.2
233.09641	4.1
233.13387	6.6
233.15347	4.7
235.11169	8.0
235.14847	8.6
237.12677	8.1
239.10629	7.1
239.14507	4.4
242.10796	4.5
243.11697	8.6
243.13852	7.5
244.12436	8.2
245.13234	9.6
246.14160	3.7
247.11130	4.5
247.14745	9.6
249.12718	10.0
251.10649	3.2
251.14316	14.1
254.10663	3.3
255.11713	4.0
255.13910	4.6
256.12091	3.1
257.13358	6.2
258.14038	5.7
259.11072	4.7
259.15027	4.7
260.15570	3.8
261.12579	6.0
261.14859	9.4
263.14340	8.0
264.15161	3.6
265.12256	5.1
265.15894	4.9
269.13205	8.2
270.13971	6.5
271.14764	8.8
272.11972	4.4
272.15579	5.3
273.12747	6.5
275.10449	4.3
275.17792	4.1
277.12299	3.9
277.15842	5.4
279.13977	5.8
281.13083	4.6
283.11252	3.8
283.14761	11.4
284.15591	6.0
285.12906	4.0
285.16330	9.2
287.14554	5.0
287.17770	6.9
289.14621	10.2
297.12683	8.1
297.16162	5.0
298.17355	3.5
299.14258	4.4
301.12167	3.4
301.15744	11.9
302.16574	5.6
303.13879	4.7
303.17264	4.9
305.15402	4.5
311.14090	7.4
312.15210	4.8
313.15802	8.8
313.19363	3.6
314.13007	6.0
315.13721	7.7
315.17303	5.9
317.15430	3.8
319.13373	4.8
319.16956	5.9
321.14880	4.0
323.16541	4.0
325.03210	3.3
326.16620	4.2
327.13684	6.7
327.17313	6.9
329.15378	12.9
331.17102	15.2
331.20538	3.9
333.14780	3.9
341.18875	9.8
343.16913	5.7
345.14935	6.2
345.18546	17.3
347.16437	11.0
347.20230	4.1
349.17767	3.6
355.16760	9.7
357.18491	12.1
359.16260	4.5
359.20096	22.5
361.18039	6.2
363.19617	13.0
369.18466	17.4
372.17136	5.7
373.18005	11.5
375.19504	8.8
377.16965	3.8
377.20993	7.5
387.19528	68.0
391.19098	7.2
401.17471	5.9
405.20648	52.6
407.18268	4.7
409.20120	4.4
415.19131	3.6
419.17670	5.0
419.22498	8.0
423.21436	12.7
433.19858	8.5
437.23141	10.5
447.21896	13.9
451.21179	10.1
455.24167	4.1
465.22827	41.7
483.23785	45.3
511.23196	6.1
516.08423	4.0
525.24762	11.8
543.25616	9.2
565.27875	8.9
583.28955	19.5
607.28577	5.3
611.28162	14.6
625.29529	7.3
643.21918	3.9
643.31311	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	643.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
55.01876	4.3
55.05498	2.6
67.05506	3.3
67.05792	0.6
69.03427	1.7
69.06501	0.7
69.07056	1.7
71.55609	0.8
72.44962	0.7
77.03909	1.4
79.05511	4.8
81.03426	4.5
81.07049	3.0
83.04975	1.7
83.08638	1.1
91.05488	14.1
93.07047	3.6
95.04976	5.5
95.08589	1.6
97.06561	1.1
102.04626	0.7
103.05474	51.9
105.03407	1.6
105.06512	0.6
105.07055	6.6
107.04942	2.3
107.08586	2.5
109.06544	1.8
109.10133	1.3
111.08157	0.8
115.05460	2.7
116.06253	2.0
117.07014	6.6
119.08584	10.9
120.08916	1.0
121.06495	1.8
121.10152	1.8
123.08051	1.3
128.06201	3.4
129.07014	6.2
131.04936	100.0
131.08560	10.9
133.06528	1.4
133.10115	3.1
135.08093	1.8
141.06993	2.7
142.07797	2.9
143.08577	5.7
144.05757	1.4
145.06499	4.7
145.10152	6.2
147.08043	16.4
148.08449	1.3
149.09607	6.3
153.06992	1.4
155.08568	6.1
156.09322	2.9
157.06558	0.9
157.10144	12.7
158.07289	1.9
158.10605	1.0
159.08070	27.2
159.11716	6.1
161.09637	7.5
163.07521	3.3
167.08615	1.2
168.09398	1.3
169.10144	20.3
170.10892	1.7
171.08060	3.2
171.11705	8.7
172.08827	1.3
172.83669	0.8
173.05946	1.1
173.09660	13.4
173.13251	1.3
175.07544	5.4
175.11200	1.3
177.09210	0.8
179.08629	1.6
181.10159	2.1
183.08070	1.4
183.11717	12.7
185.09637	2.1
185.13261	2.4
187.11229	3.9
189.09160	1.7
191.10706	1.5
192.09401	1.0
193.10197	2.5
194.10974	0.9
195.08003	0.8
195.11719	1.3
197.09630	6.0
197.13266	1.7
199.11215	3.0
201.09200	1.6
201.12767	3.6
207.11745	2.0
209.09596	1.8
209.13223	1.1
211.11221	3.1
211.14830	0.8
213.12828	1.5
215.08783	1.0
215.10736	2.9
217.10368	1.5
217.12282	1.7
220.12614	0.7
221.09509	1.0
221.13292	2.2
223.11243	2.0
225.09181	1.3
225.12744	1.5
227.10774	1.1
229.12198	9.2
230.10953	1.6
231.10240	2.7
231.12073	1.6
231.13832	1.2
235.11227	1.7
235.14725	0.8
237.12874	1.4
241.10022	1.0
241.12366	1.1
243.11664	1.3
243.13835	3.5
245.13446	1.5
247.11182	1.4
247.13243	1.5
249.12767	1.6
253.12396	0.9
256.12524	1.4
257.13364	1.0
259.11142	1.1
261.12683	1.7
263.14371	1.0
267.11688	1.0
270.14069	1.2
271.10977	1.0
271.14868	1.4
272.12064	1.5
272.15656	1.2
273.12637	1.8
274.13583	0.9
275.14490	1.3
277.12238	0.9
284.12076	0.8
285.12741	2.6
287.11194	1.0
287.14355	2.5
287.17508	1.2
289.15726	1.3
293.15125	0.8
297.12753	1.0
298.13153	0.8
299.14441	3.1
300.15204	2.6
301.12192	0.9
301.15790	1.7
305.18945	1.0
313.12350	1.2
313.16016	2.1
314.13095	2.5
314.16565	1.5
315.10468	0.7
315.13834	4.0
315.17557	8.7
317.15369	1.0
317.18848	1.1
325.16046	1.1
327.13959	2.0
329.18961	4.5
333.18631	2.4
339.17291	1.4
343.16904	3.6
347.20126	1.7
357.18527	4.7
361.18130	1.4
375.19644	4.1
385.18271	2.3
389.21173	11.9
391.22894	2.0
399.19595	1.5
403.19229	2.1
407.22226	4.8
417.20651	7.6
435.21744	10.2
453.22595	2.0
495.23874	0.9
545.37732	0.8
551.24573	2.1
565.26202	0.9
583.27386	1.4
611.26166	2.8
643.28973	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.1
54.73507	2.1
55.01874	20.5
55.05500	7.3
57.99803	1.9
59.04991	1.8
60.52328	2.5
64.28202	2.0
67.05524	13.5
69.03426	15.8
69.07067	3.2
69.35225	2.0
69.78074	4.6
69.78494	7.9
74.09721	20.3
77.03890	2.4
79.05495	36.5
81.03423	25.3
81.07041	12.2
83.04990	14.8
85.06525	1.9
91.05485	46.5
93.07043	12.1
95.01321	3.5
95.04986	19.5
95.08594	6.2
97.83420	2.0
103.05472	11.9
105.03400	30.9
105.04497	3.3
105.07040	25.4
106.07361	3.0
107.04967	27.4
107.08587	7.2
109.06526	7.6
109.10127	3.6
115.05441	8.3
116.06241	3.3
117.07015	21.5
119.04929	3.8
119.08583	53.9
121.06489	6.7
121.10158	4.1
128.06213	11.2
129.07013	37.8
131.04951	14.8
131.08572	34.3
132.05710	2.0
133.06520	9.7
133.10127	22.4
135.08069	5.9
141.07005	6.0
142.07770	4.8
143.08574	22.8
144.05731	2.5
144.09251	2.0
145.06482	22.5
145.10147	19.4
147.08055	100.0
147.09236	4.9
149.09627	41.9
153.06989	2.5
154.07722	2.6
155.08553	8.5
156.09329	9.3
157.06540	2.9
157.10135	47.3
159.08064	69.2
159.11696	52.6
161.05995	4.9
161.09616	41.3
165.07028	6.0
167.08566	6.0
168.09412	3.2
169.10115	33.8
170.10838	3.9
171.08061	9.1
171.11705	37.6
172.08823	2.9
173.05966	6.7
173.09633	17.9
173.13280	15.4
175.07576	29.5
175.11192	3.9
177.09084	3.5
179.08621	5.5
180.09224	2.4
181.10144	4.5
182.10809	3.8
183.08102	4.2
183.11720	35.1
185.09628	9.1
185.13290	5.0
187.11234	17.0
189.09074	7.4
191.10616	5.5
192.09305	4.1
193.10071	7.0
195.08090	3.1
195.11674	9.0
197.09688	13.5
197.11142	2.1
197.13269	10.0
199.11188	15.8
199.14760	2.3
201.12828	14.1
203.10547	2.9
204.09396	2.9
205.10028	3.4
206.10852	4.1
207.11757	6.7
208.12473	3.1
209.09616	6.8
209.13246	9.8
211.11188	8.6
211.14807	6.1
213.09108	2.3
213.12721	4.0
215.10693	10.3
217.10245	3.9
217.12257	5.9
219.11786	4.7
220.12505	3.7
221.09755	2.8
221.13187	9.9
222.13976	3.4
223.11160	7.0
223.14847	6.0
224.11978	3.0
225.09094	2.5
225.12724	12.3
227.10606	10.5
227.14250	2.4
229.12257	22.3
230.10846	3.0
231.11685	4.9
231.13753	4.1
233.13263	5.8
233.15352	15.6
235.11130	8.6
235.14738	5.8
237.12697	7.6
239.10626	2.7
239.14223	5.3
243.13797	8.1
244.12540	2.3
245.13382	4.0
246.14165	2.6
247.11133	4.4
247.14868	6.2
249.12651	6.9
251.14381	4.1
257.13226	6.1
257.15549	3.7
261.12604	4.8
261.14935	9.4
263.14273	4.2
265.12271	2.5
265.15741	4.7
267.13849	3.3
271.14862	3.0
273.12714	5.9
275.14255	6.4
276.15009	2.7
277.12271	2.5
285.12534	5.0
286.13297	2.6
287.14200	5.5
289.15866	4.8
291.17413	8.5
299.14114	4.4
300.14804	3.6
301.15778	5.8
305.18912	4.2
313.15808	3.9
315.17416	24.9
317.15152	3.7
317.18561	2.8
319.20563	3.7
325.15732	3.8
329.19009	8.9
331.16797	5.6
333.14896	2.6
333.18475	20.6
343.16968	13.1
345.18552	3.7
347.16360	3.0
347.19983	11.4
357.18591	13.8
361.17981	9.0
373.17905	2.9
375.19543	30.7
379.22714	2.6
385.17969	9.1
389.21133	20.3
391.18811	5.3
399.19650	2.7
403.19156	15.2
405.20419	6.2
407.22180	49.2
417.20587	38.5
427.22284	2.3
435.21753	45.3
445.29599	5.4
446.29755	12.9
464.30896	3.1
521.25171	6.3
583.23737	2.9
643.28876	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	1.2
53.03945	3.5
55.01876	7.8
55.05497	1.8
60.79092	1.1
67.05497	2.3
69.03416	2.2
76.47387	1.2
77.03927	2.2
79.05499	10.2
79.64689	1.2
81.03423	11.4
81.07048	2.4
83.04966	3.0
91.05483	18.3
93.07027	3.1
95.04952	7.6
103.05471	44.6
105.03410	2.0
105.04486	1.4
105.07027	9.3
105.09833	1.0
107.04960	10.6
107.08602	2.3
109.06513	2.5
112.20432	1.1
115.05453	3.5
116.06232	2.6
117.07024	9.4
119.08591	20.2
121.06513	2.7
121.10121	1.3
128.06198	3.5
129.06995	12.6
131.04936	100.0
131.08577	16.4
133.06493	3.0
133.10162	7.9
135.08096	2.3
141.06964	4.5
142.07785	2.1
143.08591	8.1
144.09335	2.1
145.06502	7.2
145.10176	7.4
147.08054	50.5
147.09236	2.5
149.09637	17.0
154.07780	1.9
155.08574	3.6
156.09366	3.5
157.06450	2.5
157.10133	19.0
159.08069	37.5
159.11705	29.2
161.09625	16.3
163.11179	1.5
167.08627	2.4
169.10146	13.9
171.08034	2.7
171.11705	16.1
173.05963	1.7
173.09631	8.3
173.13271	6.9
175.07558	14.8
175.11014	1.6
177.09119	2.1
179.08582	1.9
180.79109	1.1
181.10152	3.5
183.08034	1.5
183.11711	12.2
185.09630	3.2
185.13289	2.1
187.07555	1.4
187.11200	9.1
189.09088	2.5
190.69318	1.2
191.10640	2.6
193.10165	3.0
195.07997	1.3
195.11665	3.1
197.09605	5.7
197.13287	2.7
199.11224	6.5
199.14960	1.3
201.09158	1.7
201.12747	6.4
206.10890	1.6
207.11711	4.8
209.09627	3.6
209.13222	2.1
211.11208	4.9
211.14894	2.0
213.09142	2.2
215.10655	5.0
216.09410	1.3
217.12216	2.7
219.11804	1.5
221.09622	1.3
221.13271	5.0
223.11241	3.7
223.14735	1.8
225.12724	6.4
227.10626	3.2
229.12233	10.7
231.11699	2.0
231.13826	3.7
232.12445	1.8
233.15356	6.5
235.11124	2.6
237.12738	2.5
239.10794	1.1
239.14296	2.1
241.12309	1.3
243.13805	4.2
247.10968	1.6
247.14977	2.3
249.12582	2.4
249.22041	1.0
251.14323	2.5
255.13885	1.6
256.12500	1.9
259.11121	2.5
259.14896	1.8
261.12512	2.3
261.14966	4.2
263.14450	1.6
273.12808	1.5
274.13431	1.4
274.84665	1.2
275.14368	2.4
285.12753	2.5
286.13635	1.4
287.14221	1.8
289.15927	2.3
291.17474	1.4
293.15289	1.2
299.14148	1.9
300.14963	1.3
301.15930	1.9
305.18948	1.9
313.15680	2.2
314.16415	1.6
315.17465	10.5
316.18207	1.6
317.15359	1.5
317.18854	1.6
329.19016	4.8
331.17007	1.8
333.18442	10.9
343.16867	5.4
345.18503	1.5
347.20035	4.6
357.18549	7.4
359.16245	1.7
361.17883	3.1
375.19510	12.8
379.22617	1.6
385.18011	4.1
389.21182	9.6
391.22632	2.5
391.27127	1.1
403.18921	7.1
404.31985	1.1
405.20529	1.7
407.22232	23.8
417.20667	17.6
435.21762	22.2
457.85938	1.1
495.23566	4.0
625.28534	1.4
643.27881	3.7
651.31506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.01877	2.7
55.05503	4.8
57.03453	1.6
67.05518	13.5
69.07087	5.0
71.04996	1.9
79.05072	1.0
79.05502	13.0
80.05819	1.0
81.07063	15.1
83.08627	2.6
86.00037	1.0
91.05489	11.6
93.07057	11.3
93.59061	1.1
95.04967	2.4
95.08624	9.1
97.06522	3.7
97.10165	1.8
98.20717	2.7
105.04540	1.3
105.07030	7.7
107.04939	1.4
107.08611	6.5
109.06533	2.3
109.10178	5.6
111.08080	1.4
117.07010	3.7
119.08612	5.2
121.06506	1.1
121.10157	5.8
125.09635	1.7
129.07030	2.9
131.08566	4.7
133.10112	4.8
135.08029	1.4
135.11671	3.5
137.09593	1.3
145.10117	4.6
147.08012	1.3
147.11678	3.8
149.09665	2.0
149.13277	1.5
157.10147	1.2
159.11737	3.4
164.10667	1.5
171.11768	1.4
173.13264	1.3
183.11690	1.4
197.10890	1.0
223.12413	1.7
227.12823	1.3
233.10611	1.4
237.13893	1.8
247.12296	1.4
249.13989	1.4
251.15450	1.4
259.20502	1.8
259.44196	1.3
261.21414	1.1
263.11847	1.5
273.18402	3.2
274.13239	2.7
275.15628	1.5
275.20038	3.0
277.21631	1.9
290.16541	1.4
291.19528	7.0
314.16403	2.6
318.16068	2.6
332.17554	2.3
335.25867	6.8
337.15558	2.9
338.16010	1.2
340.18088	2.4
350.16226	1.8
351.16199	2.5
351.25183	2.1
352.17120	2.5
353.17685	3.2
354.19516	2.1
355.16986	1.4
362.16489	1.4
364.17813	1.5
365.18335	1.8
365.23288	3.3
366.18985	1.8
367.19138	3.2
376.16916	1.4
377.17480	1.3
378.19376	1.2
379.19507	2.2
380.20798	1.3
381.20792	3.5
383.22412	2.2
393.16998	3.0
393.21552	1.2
394.17758	2.0
395.18637	6.0
400.20184	2.3
402.21973	1.2
407.18588	2.6
408.19592	2.6
409.20313	7.0
410.20990	3.2
416.23056	1.2
421.20245	3.7
422.20612	1.3
423.21982	6.4
424.22836	1.9
435.21725	1.7
436.18652	1.8
437.18713	1.7
437.23914	2.3
439.21454	1.5
443.22064	5.9
446.21246	1.3
452.22809	2.3
453.22665	4.4
454.20874	3.2
461.22910	2.4
464.22025	1.5
465.22818	3.2
469.26465	2.8
479.25095	5.0
480.25055	2.1
481.22186	7.7
482.22873	1.3
483.23996	1.5
491.20767	1.4
494.23395	3.9
495.23828	1.1
495.28046	1.6
496.24872	8.3
497.25690	9.8
503.24237	2.8
507.23679	2.3
508.24850	1.9
509.21265	2.2
511.27722	8.0
512.28174	6.4
513.24945	2.0
522.23633	1.2
523.23370	4.0
524.24158	4.0
525.24835	1.3
527.26440	2.2
539.26636	28.9
540.25311	1.2
541.24207	2.4
545.38214	3.6
551.23425	1.4
553.24652	1.4
555.25720	1.9
557.27582	3.7
567.26080	28.3
581.27173	3.8
582.25848	4.1
583.25659	11.5
597.26685	1.6
599.28699	100.0
600.28741	1.6
601.26550	7.2
611.24994	26.6
625.26270	3.6
625.44183	8.4
643.27783	23.1
643.45227	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	643.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.4
55.01870	5.3
55.05513	66.8
60.93927	1.6
64.79849	1.5
65.03928	1.8
67.05501	6.7
69.03429	7.3
69.07068	3.3
71.55605	3.2
79.05500	12.2
79.61049	1.6
81.03426	5.7
81.07050	10.1
83.01338	2.8
83.04984	100.0
84.05302	2.5
85.02901	2.1
91.05486	23.8
93.07042	15.0
95.01335	1.9
95.04958	16.0
95.08620	8.8
97.06518	1.7
103.05474	10.6
105.03405	4.4
105.04582	2.0
105.07028	28.2
107.04950	9.7
107.08601	6.8
109.02882	3.7
109.06498	4.6
109.10085	2.1
111.04410	2.4
114.40034	1.7
115.05494	6.3
115.15866	2.2
116.06244	2.4
117.07056	10.7
119.04938	5.6
119.08591	30.8
120.08987	1.7
121.02895	2.2
121.06517	13.8
121.10150	6.9
123.04434	3.6
123.08046	3.3
125.05909	2.3
126.89257	2.0
128.06189	9.3
129.07034	11.6
130.07779	3.3
131.04942	11.5
131.08575	21.7
132.05573	1.6
133.06483	13.1
133.10146	16.4
135.04401	4.4
135.08063	7.7
137.02289	2.2
137.06000	3.4
141.07010	7.9
142.07785	8.6
143.08568	26.0
144.09253	1.7
145.06476	9.2
145.10133	13.1
147.04440	3.4
147.06996	2.6
147.08029	13.6
147.11641	2.1
149.05975	32.3
149.09650	6.9
151.07552	3.2
152.06189	1.8
153.05511	3.2
153.07005	3.7
154.07785	5.0
155.08548	14.0
156.09334	19.3
157.06519	5.0
157.10155	24.1
158.10590	2.1
159.04413	2.1
159.08078	21.6
159.11670	6.6
160.08868	2.2
161.05960	11.2
161.09615	16.9
163.07553	5.4
163.11183	4.0
165.05698	1.9
165.06998	6.2
165.09096	2.2
166.07776	5.7
167.07181	2.8
167.08594	5.8
168.09377	5.9
169.06438	5.1
169.10115	18.2
170.07288	2.6
170.10912	9.2
171.08047	17.2
171.11703	39.8
172.08791	2.4
173.05899	3.8
173.09602	13.0
173.13280	6.0
175.07567	7.8
175.11212	5.6
177.05453	7.4
177.09061	5.0
178.07808	3.6
179.07040	8.0
179.08607	6.4
179.10683	2.2
180.09372	4.1
181.06569	2.2
181.10124	16.3
182.10915	5.3
183.08037	11.4
183.11694	31.7
184.08937	8.5
184.12309	4.4
185.06001	5.6
185.09622	21.3
185.13274	20.5
186.10332	3.0
187.07555	11.0
187.11223	6.5
189.05421	3.8
189.09113	14.5
191.10706	2.9
192.09348	4.8
193.10068	11.0
195.06529	2.4
195.08093	6.0
195.11664	9.8
197.09616	32.5
197.13239	10.5
198.10446	6.0
199.07555	6.3
199.11191	39.3
200.11945	13.5
201.09125	7.2
201.12778	10.4
203.06929	3.9
203.08681	2.4
203.10677	3.8
204.09431	2.8
205.08560	4.6
205.10208	5.7
205.12102	1.9
206.10901	4.3
207.11732	11.6
208.08826	2.6
208.12531	3.1
209.09596	21.2
209.13269	7.2
210.10391	5.6
211.07652	3.9
211.11171	15.8
211.14792	3.2
212.11610	2.9
213.09154	7.2
213.12753	24.3
215.08794	2.7
215.10719	6.0
215.14395	2.2
217.08516	29.7
217.10219	4.3
217.12215	3.4
218.10924	2.3
219.06395	2.7
219.08333	2.3
219.10083	4.9
219.11705	6.3
220.08914	2.5
220.12463	4.3
221.09692	4.6
221.13264	7.2
222.10323	4.2
223.11334	8.6
223.14781	4.3
224.11932	2.8
225.09091	6.0
225.12738	8.0
226.09927	2.7
227.07135	2.9
227.10672	73.1
228.11292	2.2
229.08264	2.7
229.10176	5.1
229.12253	4.5
230.10855	3.7
231.10098	6.3
231.11775	6.1
231.13748	3.0
232.12424	3.3
233.09663	4.1
233.13214	7.4
234.13977	2.5
235.11272	4.5
235.14828	3.6
237.09142	6.4
237.12755	7.5
237.16397	2.7
238.13683	2.6
239.10690	7.2
239.14409	2.6
241.12282	10.7
243.11717	6.0
243.13933	3.5
244.12454	6.4
245.08006	3.8
245.13251	7.4
245.15463	8.4
246.10344	2.5
246.14006	5.8
247.09373	3.4
247.11418	3.9
247.14830	6.5
248.12090	2.8
249.11272	6.5
249.16518	4.7
251.10741	6.5
251.14238	3.3
253.12305	5.1
255.09874	3.3
255.12006	2.5
255.14027	3.1
256.12357	4.3
257.11493	3.4
257.13654	3.1
258.13983	5.1
259.11102	4.7
259.14847	7.3
260.11835	3.8
260.15442	2.7
261.12686	5.2
261.16434	5.8
262.13605	2.9
263.10590	3.0
263.14319	5.0
265.12262	3.8
267.09900	2.2
269.11481	13.6
270.14072	4.2
271.13470	3.9
272.12024	3.0
272.15506	2.3
273.12463	2.5
273.15039	6.5
274.13596	4.2
275.10538	2.4
275.14197	6.3
275.17374	2.2
276.15085	2.4
277.12350	4.2
277.15897	7.4
279.10165	3.3
279.13495	2.6
285.12973	2.7
285.16333	4.9
286.13382	2.4
287.12717	34.8
288.15018	3.2
289.12067	2.8
289.15945	3.6
291.13568	2.3
293.11713	2.5
293.15170	2.5
295.17120	2.0
299.13739	2.5
301.12225	3.8
303.13681	5.1
303.17398	4.2
305.15372	4.0
307.13312	2.4
307.16660	2.2
311.13113	2.5
313.12173	3.1
313.15756	4.7
315.13602	5.5
315.17337	3.7
317.15210	4.7
317.18765	2.2
319.13260	2.6
319.16913	3.3
321.14853	9.8
321.18292	4.1
329.15274	3.3
331.16956	8.4
332.13861	1.9
333.14734	5.1
333.18347	2.5
335.16190	3.9
337.18253	2.2
341.15305	4.9
342.15805	2.0
343.16882	2.9
345.14658	5.1
345.18573	7.2
347.16586	9.2
349.18021	5.6
355.17120	2.9
357.14694	2.5
357.18591	2.5
358.19037	2.2
359.16321	10.3
359.20288	2.6
361.17972	7.0
363.15851	5.9
363.19748	3.7
365.17239	7.6
369.14609	4.3
371.15054	5.3
373.18002	4.7
375.15714	3.8
377.17297	4.1
383.18561	1.8
387.15549	10.3
388.20007	2.6
389.17072	4.1
391.19156	8.4
393.20474	3.1
395.22351	2.8
397.14383	3.4
401.17426	3.5
403.15015	3.6
405.16769	7.5
405.20715	6.2
407.18701	6.7
415.15366	7.9
419.18573	4.7
421.18689	13.5
423.22037	12.4
429.17154	2.5
431.16898	7.6
433.16434	8.1
435.17938	3.5
437.19473	4.9
439.20633	2.7
441.22577	3.3
447.17535	12.8
451.21732	2.4
465.18777	23.9
483.19818	3.5
483.24600	3.7
525.20856	11.7
565.24359	4.2
583.25079	2.6
625.26459	4.2
643.25909	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	643.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74513	2.4
53.03942	5.1
55.01870	5.5
55.05514	62.3
57.03436	2.6
58.11245	1.9
60.95848	1.9
65.03937	3.0
67.05505	9.7
69.03436	5.7
69.07064	3.5
79.05499	13.4
81.03416	5.8
81.07066	5.9
83.04987	100.0
84.05337	2.6
91.05484	21.4
93.03400	2.0
93.07053	14.9
95.01305	2.9
95.04987	13.6
95.08606	3.1
97.06535	3.2
98.21508	5.5
98.89089	2.0
103.05483	10.0
105.03387	5.4
105.04543	2.1
105.07039	29.7
107.04960	8.8
107.08609	6.3
109.02878	4.9
109.06511	6.0
109.18203	1.9
111.04444	2.3
115.05452	6.1
117.07030	9.8
119.04945	5.0
119.08588	21.1
121.06534	10.8
121.10152	6.7
123.04443	4.8
123.08101	2.7
125.02338	2.6
127.26594	2.0
128.06203	10.6
128.99191	2.1
129.06947	10.8
130.07774	2.1
131.04927	7.3
131.08578	19.3
133.06528	11.4
133.10118	17.8
135.04398	5.0
135.08052	9.2
137.06071	2.8
141.07002	7.0
142.07780	9.0
143.08554	18.7
144.05710	4.0
145.06505	8.9
145.10121	14.1
146.07277	2.3
147.04340	3.7
147.08058	12.3
147.78561	2.2
149.05975	24.4
149.09627	4.8
153.05438	5.6
153.07001	5.4
155.08568	11.4
156.09355	20.1
157.06502	4.5
157.10132	19.6
158.07266	2.9
159.08090	18.0
159.11739	7.4
160.08684	2.2
161.05975	10.6
161.09621	11.3
163.07558	4.2
165.07018	7.8
166.07755	4.4
167.08582	6.7
168.09305	3.8
169.06519	3.3
169.10152	18.8
170.10901	8.1
171.08047	16.4
171.11699	37.2
172.08833	4.1
173.09622	10.1
173.13181	5.8
175.07521	6.2
175.11163	2.8
177.05508	7.2
177.09094	5.7
179.07013	6.7
179.08588	7.1
180.09370	4.9
181.06500	3.7
181.10123	12.9
182.10921	5.7
183.08041	9.5
183.11691	26.3
184.08891	10.9
184.12393	3.3
185.06036	6.0
185.09645	22.8
185.13245	17.6
186.10405	4.4
187.07565	9.5
187.11172	7.7
189.09142	14.3
191.08588	2.7
192.09372	4.6
193.10147	11.2
194.10831	3.0
195.06461	3.3
195.08070	7.0
195.11723	9.8
196.08815	2.5
197.09630	28.0
197.13248	7.1
198.10330	5.4
199.07533	7.6
199.11185	35.8
200.11966	12.6
201.09085	6.1
201.12708	6.3
203.07063	6.0
203.10577	3.5
205.08534	4.8
205.10272	3.6
206.10890	4.2
207.11717	7.1
208.12427	3.7
209.09654	17.0
209.13358	4.1
210.10440	7.2
211.07603	3.5
211.11209	19.1
212.08330	3.0
213.09091	7.4
213.12700	17.1
215.10735	4.9
217.08528	32.6
217.12032	3.6
218.10962	3.7
219.09937	2.6
219.11732	5.7
220.12318	5.0
221.09656	3.4
221.13223	6.2
222.10515	3.3
223.11099	11.7
223.14690	4.3
224.12256	2.3
225.09082	8.6
225.12729	5.0
226.13652	2.1
227.07059	4.6
227.10667	68.4
227.14211	4.1
229.08324	3.7
229.10175	5.8
229.12311	4.4
230.10809	4.5
231.09981	5.3
231.11949	3.0
232.12422	6.0
233.13202	6.8
234.13942	4.2
235.11255	6.0
235.14771	4.4
236.12004	2.2
237.09053	5.8
237.12767	6.6
239.10707	6.4
241.12224	6.8
242.11017	2.9
243.11807	4.5
243.13847	3.5
244.12444	7.1
245.07965	3.9
245.11581	4.7
245.15482	10.6
246.10522	3.5
246.14090	2.5
247.11263	7.2
247.14711	5.9
248.11835	2.7
249.11057	4.6
249.16438	4.9
251.10722	7.1
253.12248	5.3
255.10068	5.5
255.13936	4.7
256.12531	2.8
257.11502	4.4
259.14938	6.5
260.12018	4.9
260.15613	3.5
261.12741	6.7
261.16492	4.3
262.13507	4.5
263.14343	4.0
265.12329	4.7
265.15765	2.7
267.10303	3.0
269.11487	14.7
271.13306	4.4
271.15109	2.3
272.11859	4.2
272.15479	2.1
273.12494	3.9
273.14990	4.9
274.13544	3.5
275.14267	6.8
275.17862	3.5
277.12054	2.6
277.15814	6.8
279.10379	2.3
279.13678	2.8
284.11789	3.0
284.15408	2.7
285.16299	4.0
286.13589	2.9
287.12708	36.0
287.17422	2.5
288.15128	3.3
289.15939	3.7
290.13171	2.8
291.13766	3.9
291.17020	2.6
299.14258	2.5
300.11508	2.4
301.12213	2.1
301.15894	4.9
303.13840	5.2
303.17282	3.7
304.11160	2.2
304.14575	3.5
305.15195	8.7
307.13217	2.7
307.16794	2.2
309.13235	2.9
313.11685	2.6
313.15784	2.9
315.13620	2.7
317.15323	5.1
318.16104	2.4
319.13199	2.2
319.16913	4.5
321.15067	10.9
321.18130	3.4
327.13760	3.8
329.15070	3.3
331.16895	6.9
333.14832	7.1
333.18332	3.1
335.16370	3.4
335.20032	2.5
341.15277	6.2
342.05753	2.7
344.17798	2.3
345.14792	6.0
345.18542	6.3
347.15985	7.7
347.20038	2.0
349.18018	2.6
357.14719	4.1
359.16315	8.2
361.17978	4.5
363.15512	3.8
363.19681	2.9
365.17126	9.2
369.14838	3.0
371.14966	7.1
373.13995	3.0
373.18039	5.7
375.15677	3.3
377.17450	7.0
387.15741	12.8
389.17078	4.5
391.18884	6.7
401.16708	2.5
405.16849	9.1
405.21237	4.2
407.18314	2.9
409.19727	2.8
415.15332	5.5
419.18579	6.4
421.18848	12.1
423.22159	10.6
431.17181	8.1
433.16373	8.0
437.19943	4.6
447.17880	17.4
465.18854	28.1
483.19034	3.7
525.20953	12.0
543.22156	3.3
565.24030	6.4
625.27142	3.1
643.27600	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	643.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05519	3.7
59.54838	0.5
61.92403	0.6
67.05496	0.8
69.03429	0.8
69.07059	0.7
69.32201	2.4
69.32625	2.6
72.05505	0.6
79.05499	1.3
81.07047	1.2
83.04986	5.4
91.05479	2.2
93.07047	0.9
95.05017	0.8
95.08610	0.9
96.99017	0.6
97.06551	0.8
100.77663	0.6
102.21748	0.6
103.05503	1.2
105.07024	2.1
107.04907	0.6
107.08575	0.8
110.06924	0.6
117.07037	0.8
119.08631	1.9
122.88914	0.7
123.08096	0.7
128.06158	0.7
129.07016	0.9
129.43352	0.5
131.04953	1.7
131.08601	1.7
132.05307	1.4
133.06490	0.6
133.10156	1.7
143.08566	1.8
145.06543	0.6
145.10188	1.3
147.08054	1.2
155.08679	0.6
156.09323	0.9
157.10141	1.9
159.08026	0.7
159.11739	0.7
161.09677	0.9
169.10062	1.2
170.10837	1.3
171.11734	3.0
173.05923	0.7
173.09587	0.9
181.10127	0.9
182.10794	0.7
183.11774	1.6
185.09676	1.0
185.13257	1.5
189.88435	0.6
195.11742	1.0
197.13219	1.1
199.11241	1.7
201.09103	0.9
207.11653	0.9
213.12785	1.5
221.13341	0.7
223.15031	1.0
235.14934	0.8
249.16414	0.7
259.10947	0.7
264.31116	0.6
308.52036	0.6
321.18375	0.8
354.86154	0.9
387.23108	1.0
403.19131	0.6
405.20087	1.4
417.24277	0.7
424.42230	0.6
435.25284	3.2
437.19458	0.8
461.23102	0.9
479.24292	2.9
539.26117	8.6
557.27106	1.5
583.25031	2.1
599.28210	13.3
643.27173	100.0
644.27710	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05519	3.7
59.54838	0.5
61.92403	0.6
67.05496	0.8
69.03429	0.8
69.07059	0.7
69.32201	2.4
69.32625	2.6
72.05505	0.6
79.05499	1.3
81.07047	1.2
83.04986	5.4
91.05479	2.2
93.07047	0.9
95.05017	0.8
95.08610	0.9
96.99017	0.6
97.06551	0.8
100.77663	0.6
102.21748	0.6
103.05503	1.2
105.07024	2.1
107.04907	0.6
107.08575	0.8
110.06924	0.6
117.07037	0.8
119.08631	1.9
122.88914	0.7
123.08096	0.7
128.06158	0.7
129.07016	0.9
129.43352	0.5
131.04953	1.7
131.08601	1.7
132.05307	1.4
133.06490	0.6
133.10156	1.7
143.08566	1.8
145.06543	0.6
145.10188	1.3
147.08054	1.2
155.08679	0.6
156.09323	0.9
157.10141	1.9
159.08026	0.7
159.11739	0.7
161.09677	0.9
169.10062	1.2
170.10837	1.3
171.11734	3.0
173.05923	0.7
173.09587	0.9
181.10127	0.9
182.10794	0.7
183.11774	1.6
185.09676	1.0
185.13257	1.5
189.88435	0.6
195.11742	1.0
197.13219	1.1
199.11241	1.7
201.09103	0.9
207.11653	0.9
213.12785	1.5
221.13341	0.7
223.15031	1.0
235.14934	0.8
249.16414	0.7
259.10947	0.7
264.31116	0.6
308.52036	0.6
321.18375	0.8
354.86154	0.9
387.23108	1.0
403.19131	0.6
405.20087	1.4
417.24277	0.7
424.42230	0.6
435.25284	3.2
437.19458	0.8
461.23102	0.9
479.24292	2.9
539.26117	8.6
557.27106	1.5
583.25031	2.1
599.28210	13.3
643.27173	100.0
644.27710	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05351	0.3
56.13705	0.3
91.05428	0.5
109.10092	0.3
163.23451	0.3
168.06172	0.3
277.01236	0.3
396.12320	0.9
397.12967	2.5
398.13995	0.9
399.14722	0.4
410.13708	2.3
411.14539	5.1
412.15378	3.5
413.15985	1.6
423.14606	1.0
424.11102	1.2
424.16330	2.3
425.16373	10.4
426.16974	8.2
427.17776	1.7
428.18481	1.6
437.16031	1.2
438.13156	2.4
438.17529	1.2
439.13654	14.7
440.13565	0.9
440.19260	4.9
441.19333	36.6
442.19714	1.6
452.14420	3.9
453.15286	15.3
454.15967	4.0
455.16260	0.5
458.15894	0.6
463.14383	0.7
465.15555	0.7
467.17206	25.5
468.17972	15.4
469.18896	12.6
470.19714	0.5
471.16937	0.5
472.17276	0.6
480.18283	0.6
481.14801	13.9
482.15448	3.2
485.17874	1.1
486.18570	0.7
494.16809	0.3
495.15714	2.6
496.17273	13.6
497.18124	3.3
498.18954	0.5
499.20453	0.7
508.19025	0.6
509.18237	2.9
512.20709	1.3
513.21625	0.4
514.22327	2.8
522.17993	0.5
523.19800	1.9
524.21045	0.4
527.23279	3.6
537.19641	0.7
540.20233	0.7
542.21625	0.8
545.23926	0.4
555.22443	31.3
556.22632	1.6
568.19733	0.5
583.21936	100.0
584.22144	4.1
586.20630	0.4
587.24756	1.9
611.21771	1.9
614.23645	1.0
615.24512	13.3
643.24011	76.6
644.24170	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	642.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06800	1.0
53.03945	2.3
55.05507	10.3
57.03424	4.3
57.07077	26.2
59.98823	0.9
67.05502	27.9
67.36457	1.0
69.07068	10.9
69.13571	1.1
69.47428	6.1
69.47839	2.0
70.62072	0.8
71.04980	2.7
71.08634	22.3
73.53779	1.0
76.77928	1.1
79.05502	15.4
81.03418	1.5
81.07058	33.0
83.04993	5.5
83.05396	1.0
83.08617	9.9
85.10183	11.1
91.05476	13.6
93.07041	19.6
95.04974	6.3
95.08607	22.9
97.06508	2.3
97.10154	2.9
99.08108	3.4
105.04453	1.3
105.07032	6.5
107.08589	11.5
109.10162	8.1
111.08084	2.4
111.11735	1.6
114.37936	1.1
117.07028	5.2
119.08588	4.6
121.10164	3.9
123.11714	3.6
131.08560	4.1
133.10139	4.7
135.08057	1.2
135.11668	3.6
137.13242	1.1
139.11191	2.4
145.09990	1.5
147.11676	1.4
149.13280	6.3
151.11172	4.2
159.11703	2.9
161.13264	1.1
163.11177	2.3
168.39670	1.0
175.14857	1.9
177.12723	1.6
195.13809	5.4
239.23747	2.6
251.16446	2.6
259.20477	1.9
269.17447	11.5
277.21680	4.6
290.18372	1.0
313.27390	24.9
351.25320	9.8
507.40454	100.0
508.40927	2.0
589.48120	4.5
605.67566	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.0
53.03939	5.5
55.01875	3.3
55.05520	22.8
57.07075	7.1
65.03939	4.8
67.05511	71.0
69.07072	23.1
69.87472	13.7
71.04987	3.0
71.08627	6.5
74.24525	2.3
79.05502	49.2
81.07059	77.5
83.04994	5.8
83.08621	9.9
85.10182	4.5
91.05489	76.7
93.07046	64.0
95.04978	8.7
95.08611	56.0
97.06544	6.0
97.10165	4.3
103.05448	4.2
105.07049	43.8
107.04929	2.7
107.08605	28.6
109.06503	7.0
109.10172	20.8
111.04453	3.9
111.08090	3.2
115.05471	3.6
117.07029	30.4
119.08588	31.6
121.06491	5.5
121.10162	37.9
123.08085	4.6
123.11727	5.9
128.06223	7.0
129.06999	21.3
130.07805	3.6
131.08583	39.0
133.06502	3.1
133.10146	23.8
134.13652	2.3
135.08034	4.0
135.11688	17.3
137.06009	35.6
139.11298	2.4
141.07005	12.3
142.07755	4.9
143.08600	20.7
145.10135	33.7
147.08075	5.4
147.11694	15.6
149.09647	3.4
149.13268	4.5
155.08568	16.3
155.97470	2.5
157.10138	20.0
159.11739	18.4
161.09711	6.9
161.13239	8.1
167.08611	7.2
168.09317	2.7
169.10127	14.0
171.11702	24.1
173.13286	10.7
173.20001	3.0
175.11253	3.1
175.14742	3.4
181.10182	9.3
183.11729	14.6
185.13289	15.6
187.14885	5.9
195.11716	5.7
197.13300	10.4
199.14857	8.3
203.17972	3.0
205.95512	2.8
207.11758	4.3
209.13310	5.1
211.14873	7.1
221.13089	2.6
225.16431	3.3
231.17413	3.4
239.18040	3.1
249.18590	3.8
277.17981	11.8
313.27460	11.6
315.23141	2.6
351.21796	8.1
367.26599	2.7
404.58453	2.6
475.02493	2.8
515.39185	11.8
533.39685	8.8
551.40955	7.0
589.44531	29.9
607.43585	100.0
608.43280	3.6
625.44818	35.4
643.44873	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	642.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20886	3.1
53.03944	10.5
54.83975	3.9
55.01868	5.9
55.05516	24.5
57.03433	6.4
57.07061	5.7
59.46572	3.9
65.03947	5.3
67.05510	84.3
69.07079	26.8
79.05501	52.4
80.05831	3.6
81.06581	6.4
81.07064	100.0
83.04971	3.7
83.08623	22.7
85.06551	7.3
91.05492	81.2
93.07040	56.3
93.90620	3.3
95.04945	3.9
95.08061	5.1
95.08620	73.0
97.06539	8.9
97.10171	7.5
99.08068	3.7
105.07045	39.0
107.08598	36.1
109.10176	18.9
112.14160	4.0
115.05492	8.7
117.07031	40.1
117.47902	3.6
119.08572	25.8
121.10120	28.0
121.96540	3.8
123.08199	3.6
123.11745	5.6
128.06221	12.3
129.07031	36.3
131.08580	63.9
133.10152	21.9
135.11685	13.7
137.09584	5.5
139.11125	3.6
141.06989	23.5
142.07750	5.4
143.08589	37.5
145.06538	4.0
145.10144	36.7
147.11679	12.9
149.13229	4.8
153.06961	3.8
154.07770	5.8
155.08569	36.3
157.10150	25.1
157.19586	3.9
159.11740	11.4
161.13313	8.6
167.08595	14.2
169.10135	32.4
171.11702	24.9
179.08481	7.1
181.10127	23.2
183.11702	21.7
185.13248	12.0
193.10135	6.6
195.11694	15.7
197.13394	6.2
205.10036	6.3
207.11748	10.6
209.13295	8.6
211.14835	6.4
221.13271	4.3
223.14963	5.4
229.04958	5.4
269.17407	7.8
277.19070	4.0
328.25601	5.4
329.25854	4.9
337.25351	6.7
413.30685	6.3
515.38965	19.8
530.39233	5.4
533.39911	13.3
551.41003	9.1
578.92151	5.6
589.42200	8.7
607.42670	53.4
613.24432	3.8
624.46045	6.8
625.44208	12.8
642.30756	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	642.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.2
55.01871	7.4
55.05516	24.5
57.03435	14.1
57.07074	2.2
65.03945	2.8
67.05177	2.8
67.05505	36.8
69.03437	10.9
69.06728	1.9
69.07072	29.4
70.06585	13.4
71.04980	4.6
71.55459	1.7
79.05077	2.6
79.05497	33.4
81.03420	73.6
81.07059	33.4
83.04980	9.5
83.08615	22.2
91.05485	37.9
93.07047	25.8
95.04977	24.0
95.08596	16.3
97.02872	10.3
97.06532	5.8
97.10170	16.0
103.05443	2.1
105.03401	2.9
105.07035	23.6
107.04951	12.5
107.08599	19.9
109.06503	6.5
109.10155	11.9
111.04395	4.4
111.08110	7.3
115.05440	3.5
116.06326	2.8
116.07095	20.2
117.07044	11.3
119.04974	2.5
119.08586	26.1
121.06487	6.3
121.10167	11.8
123.08064	6.2
123.11636	1.9
125.09628	10.0
125.63965	1.4
128.06227	2.0
129.07019	12.7
130.07800	1.4
131.04933	2.2
131.08577	16.7
132.08841	1.9
133.06493	4.9
133.10156	11.9
135.08035	6.5
135.11684	2.5
137.09613	3.5
142.07701	3.2
143.08554	6.6
145.06470	3.3
145.10162	10.4
147.08041	14.8
147.11708	9.9
148.08405	1.8
149.09627	8.1
151.11166	2.2
153.09192	2.6
155.08546	2.3
156.09212	1.5
157.10127	12.2
159.08060	4.0
159.11662	5.8
161.09601	6.4
161.13206	1.7
163.07487	2.1
163.11165	2.9
165.12761	1.6
169.10129	3.1
171.10255	2.0
171.11700	4.1
173.09653	2.3
175.11168	7.0
177.12683	2.4
181.10129	1.9
185.09482	2.2
185.13286	4.5
187.11130	2.2
189.11255	4.3
193.12239	17.7
195.11693	2.2
199.11273	2.3
205.12178	1.7
213.12695	1.8
219.13802	3.4
223.13286	18.4
227.12750	6.8
249.14815	5.6
267.15906	100.0
273.18442	9.3
291.19547	96.3
313.21524	2.6
365.23227	48.9
388.20401	2.1
445.25851	4.2
459.26950	3.2
477.28339	1.9
483.30902	2.9
539.33521	3.9
557.34766	100.0
558.35022	3.0
624.28894	2.2
642.44763	2.2
643.23749	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42951	1.0
53.03944	1.5
55.01884	2.2
55.05519	16.4
57.03435	1.6
59.05032	0.9
65.03935	1.2
67.05516	8.8
69.03426	2.6
69.07064	4.2
70.14189	1.9
71.04993	2.0
79.05499	11.1
81.03413	4.9
81.07067	30.9
83.04997	22.1
83.08623	1.9
85.06531	2.0
91.05497	11.6
93.07055	11.5
95.04973	5.2
95.08605	6.0
97.06544	2.0
97.10235	1.2
98.20778	0.9
105.07040	13.8
107.04963	3.9
107.08608	15.3
109.06538	17.3
109.10152	5.9
111.08087	1.7
115.05405	1.3
117.07065	5.6
119.08601	14.4
121.06511	3.6
121.10143	7.8
123.08050	5.4
125.09624	2.1
128.06218	2.9
129.07018	5.7
130.07832	1.1
131.08582	11.3
133.06503	2.2
133.10138	9.8
135.08067	24.6
135.11681	2.4
137.09627	9.2
141.06998	2.0
142.07784	3.7
143.08582	9.4
145.06496	2.0
145.10143	16.1
147.08086	5.3
147.11685	4.0
148.08421	1.2
149.09645	20.0
151.11172	1.2
154.07738	1.2
155.08549	5.0
156.09311	3.4
157.10136	15.5
158.10770	0.9
159.08051	4.0
159.11674	7.9
161.09628	6.2
161.13235	2.0
163.07591	1.8
163.11195	4.6
165.07028	2.1
166.07756	1.3
167.08577	2.8
168.09329	1.4
169.10124	6.8
170.10909	2.6
171.08052	2.5
171.11742	10.3
172.12056	1.8
173.09633	7.7
173.13301	5.9
174.10294	1.4
175.11230	6.5
177.09081	1.6
179.08536	1.8
180.09491	0.9
181.10066	4.2
181.12126	0.9
182.10904	1.4
183.11725	9.3
184.12183	0.9
185.09586	2.6
185.12065	0.9
185.13300	8.4
186.10353	3.3
187.11240	8.0
187.14838	1.2
189.12816	2.8
193.10153	3.4
193.12077	1.2
194.10886	1.7
195.11708	6.3
196.12437	1.6
197.09627	2.1
197.13283	6.3
198.13879	1.2
199.11203	4.9
199.14815	3.7
200.11870	2.1
201.12782	14.3
201.16388	0.9
203.14313	2.2
206.10947	1.0
207.11697	3.4
208.12480	1.2
209.09647	1.1
209.13266	3.3
210.13972	1.3
211.11180	3.0
211.14832	1.8
213.12723	9.3
213.16405	0.9
214.13182	1.7
215.14340	4.2
217.12239	2.1
218.10825	1.0
219.11766	1.3
219.13762	1.9
220.12454	1.5
221.13280	2.7
223.11232	1.9
223.14821	4.1
224.11975	1.3
225.12732	4.0
225.16415	5.7
226.13495	1.0
227.14305	3.1
229.15826	1.4
233.13232	1.9
234.14203	1.4
235.11356	1.4
235.14830	1.8
237.12721	2.5
237.16275	2.2
239.14282	4.5
240.15044	1.7
241.15898	7.1
243.13812	2.2
243.17480	24.3
245.15453	1.0
247.14867	1.6
249.16376	1.7
251.14523	1.5
253.15996	2.9
257.15604	1.1
261.16495	1.5
265.16031	1.8
267.17737	1.6
271.16943	0.9
277.16028	1.0
279.17508	1.4
283.17014	1.5
285.18527	15.1
289.16010	1.3
289.19629	1.1
291.19720	2.2
297.18408	1.3
305.19101	3.7
307.20502	6.9
323.20163	2.6
325.21609	3.9
331.20642	1.2
333.22174	1.7
347.23792	3.3
349.21649	9.5
351.23184	7.5
363.22943	1.3
365.24484	3.3
375.23172	11.5
377.24710	1.1
385.23550	1.4
393.24268	39.8
421.27460	2.3
429.27740	1.4
447.28677	4.6
465.30109	8.5
475.28366	2.6
481.29440	1.8
493.29553	100.0
494.29660	2.9
525.31873	1.2
557.34406	3.2
565.34973	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.8
55.01868	14.1
55.05515	37.7
57.07062	7.3
67.05511	15.0
69.03431	5.1
69.07070	8.3
69.17558	4.2
69.17957	26.3
70.06594	18.5
70.06906	3.1
79.05493	13.1
81.03432	17.1
81.07046	16.0
83.04985	68.8
83.08624	3.5
85.06555	3.5
88.07645	17.8
91.05474	30.9
93.07040	13.6
95.04966	9.5
95.08608	10.2
97.06534	6.3
102.09187	11.2
105.07030	24.9
107.04919	6.9
107.08578	10.1
109.06541	8.1
109.10155	3.8
111.08144	3.4
115.05399	6.5
117.07010	17.2
119.08567	28.3
121.06537	7.0
121.10126	6.9
128.06270	5.2
129.07030	17.7
131.04913	4.5
131.08580	19.7
133.06548	3.4
133.10162	21.3
135.08038	9.5
141.06972	5.0
142.07793	7.3
143.08560	17.4
145.06483	16.1
145.10095	15.9
147.08052	87.8
149.02330	33.9
149.09613	5.6
155.08551	11.1
156.09341	10.7
157.10104	27.2
158.07283	3.7
159.08058	29.1
159.11722	11.2
161.09642	37.0
162.63887	3.1
163.07585	15.2
163.11165	6.1
165.07005	4.2
169.06403	3.3
169.10080	10.2
170.10869	6.6
171.08049	13.6
171.11684	41.8
172.12086	4.6
173.06017	7.0
173.09676	17.4
173.13261	7.3
175.07585	10.0
175.11090	4.3
179.08572	3.1
181.10129	5.5
183.11728	20.8
185.09616	15.9
185.13228	37.3
187.11203	10.6
189.12842	4.5
193.04965	44.5
195.11716	9.2
197.09552	7.9
197.13301	6.5
198.10429	5.2
199.11148	19.4
201.09033	4.7
205.12239	5.2
207.11748	3.8
210.10239	3.9
211.11322	5.2
213.12735	41.5
217.12199	3.8
219.11913	4.5
223.11211	8.0
225.12827	10.0
229.12172	8.5
231.13808	7.9
233.13332	4.4
237.12775	6.5
241.12306	6.5
243.13882	5.1
245.15378	28.4
249.12735	5.1
255.13870	8.3
259.13281	19.7
273.15027	21.3
275.14386	5.9
277.15820	4.6
284.29486	37.0
287.14484	4.8
287.80145	3.5
291.15921	20.1
299.14194	5.0
311.14151	6.0
315.17386	4.8
317.18967	4.9
327.17511	11.3
341.06619	7.7
341.18988	10.4
345.18491	10.4
357.18423	4.7
359.07553	4.8
359.19992	7.0
375.19452	5.1
377.21194	5.0
385.09113	42.4
387.19522	19.0
389.21381	5.7
391.22675	10.0
401.21124	24.8
405.20584	18.3
407.22070	4.3
419.22186	36.7
437.23251	36.7
445.29688	20.9
447.22668	3.1
463.30508	8.3
465.22897	17.3
479.24280	10.4
497.25403	17.6
509.36584	3.5
565.28528	6.7
579.29437	6.1
597.30145	17.0
642.25708	19.6
642.36078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3279
Annotation	Cycloaspeptide A
Peak:m/z	Relative Intensity
53.03945	3.9
55.01873	3.0
55.05514	35.9
56.05037	1.7
61.02901	1.5
67.05508	5.4
69.03429	3.9
69.07066	3.3
69.57333	5.1
69.57739	2.4
70.06585	6.6
71.05014	2.1
72.04510	3.7
74.06083	4.2
78.46706	1.3
79.05125	1.2
79.05482	7.6
79.62099	1.3
80.05016	1.9
81.03436	3.6
81.07071	10.1
82.02951	6.7
82.06593	1.7
83.04985	52.1
83.08638	1.3
84.05345	2.1
84.08132	3.3
85.02904	4.0
86.06097	1.2
86.09703	2.1
91.05489	12.5
93.07046	7.6
95.04977	3.4
95.08598	9.5
97.02898	2.1
97.06528	2.4
97.10170	1.2
97.12055	1.1
98.06053	8.2
100.07641	1.7
105.03402	1.8
105.07056	10.3
106.07405	1.6
107.08585	9.2
109.02866	1.9
109.06537	3.9
109.10143	5.2
110.06042	4.0
110.07205	1.7
114.05573	1.7
115.05460	2.7
115.97185	1.2
116.07108	3.1
117.07029	11.8
118.07422	1.5
119.08591	16.0
120.08131	1.7
120.08941	1.7
121.06525	3.5
121.10155	6.0
122.06033	2.9
122.78120	1.2
123.08085	2.7
123.11722	1.3
124.07612	1.7
125.00040	1.5
126.05521	50.6
127.03989	1.6
127.05038	1.7
127.07570	4.4
128.06226	2.4
128.07114	2.7
129.07016	4.9
131.04932	3.3
131.08583	10.0
133.06517	3.6
133.10147	10.3
135.08051	4.3
135.11734	2.5
137.06020	2.0
137.09637	1.7
140.07086	2.0
141.06984	2.1
142.07796	3.8
143.08598	11.8
145.06520	5.8
145.10129	10.5
147.08072	4.7
149.06065	1.6
149.09627	3.7
155.08563	4.5
156.09360	6.5
157.10117	13.0
159.06886	1.4
159.08046	6.8
159.11737	6.5
160.97064	1.4
161.05981	3.1
161.09610	6.1
162.09142	1.7
163.07523	1.8
163.11227	1.7
165.07062	2.0
165.09099	2.4
166.08701	2.0
167.07118	2.4
167.08525	2.3
169.10121	7.9
170.10840	5.1
171.08075	3.1
171.11687	16.6
172.08853	1.6
172.12082	3.2
173.05917	1.3
173.09612	6.6
173.13329	3.5
175.07648	1.6
175.11195	1.8
176.10722	2.1
177.09171	2.8
179.08493	1.9
181.10123	5.0
183.08096	2.0
183.11700	11.7
184.07286	2.6
184.12015	1.8
185.09650	5.4
185.13225	10.9
186.09052	2.0
187.11246	3.7
187.14766	1.5
188.10677	9.7
191.07101	1.7
193.10146	2.8
195.08049	1.4
195.11720	6.0
197.09622	3.8
197.13284	3.9
198.10339	2.4
199.11183	6.9
201.09224	1.8
201.12758	2.2
203.14413	2.0
204.10257	5.5
205.10262	1.6
206.11806	21.9
207.11687	3.8
209.09587	2.3
209.13297	3.9
210.10367	1.5
211.11206	4.4
213.09192	2.2
213.12778	14.7
214.08676	1.4
215.10765	1.5
215.14345	1.7
216.13940	1.3
217.10364	1.7
217.12219	3.1
218.11761	5.9
219.11792	2.1
220.13191	3.2
221.13307	1.4
222.11259	4.1
223.11266	2.9
223.14755	1.5
229.10158	2.6
229.12230	2.6
230.11084	1.8
231.11623	4.1
231.13875	5.3
232.09778	4.4
232.12976	2.5
233.09558	1.7
233.13322	2.8
234.11269	4.3
234.14034	1.3
235.11246	1.7
235.14787	3.7
239.10689	2.2
241.12277	2.2
243.11734	3.1
244.12950	1.6
245.04588	1.7
245.13365	3.6
246.13913	2.3
247.11151	4.0
247.14836	4.2
249.12737	2.3
249.16570	2.2
256.13251	2.1
258.14383	2.6
259.14862	5.0
260.15698	2.2
261.12790	2.4
261.16415	3.1
263.14081	1.5
263.17883	1.6
265.12357	1.9
265.15909	1.8
268.12915	1.4
270.14191	1.7
271.14847	1.8
273.16425	4.7
275.14404	2.0
275.17911	1.9
277.15652	1.2
285.16165	1.7
287.14398	2.7
287.17841	1.6
288.15793	2.9
289.16003	3.1
291.17548	4.3
299.14120	1.9
301.15909	2.5
302.16522	1.8
305.24536	1.8
313.16052	2.2
319.16986	3.4
320.17639	1.8
323.25854	3.1
334.18430	1.7
337.18079	2.8
341.26938	2.7
355.18973	3.1
359.19794	1.8
360.19528	1.8
361.17786	1.6
376.19305	2.3
386.21350	2.1
400.22745	2.8
402.24399	1.7
403.19171	2.7
404.19327	4.2
416.22543	2.7
418.23901	3.6
422.20114	2.2
428.22128	8.3
434.23367	3.8
441.22415	1.5
446.23230	14.6
464.24438	19.9
473.25333	2.1
482.25540	11.0
500.26865	3.2
506.25555	5.1
524.26624	12.7
542.27509	21.0
546.28180	3.2
556.28345	2.0
564.29407	5.0
582.30408	9.2
588.29205	1.8
600.31812	11.8
606.30530	4.8
624.31726	42.9
642.32605	100.0
643.23633	2.8
643.33289	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	642.3273
Annotation	Cycloaspeptide A
Peak:m/z	Relative Intensity
50.14140	0.8
53.03934	2.6
55.01866	2.2
55.05513	31.7
56.05854	1.0
59.15933	0.8
67.05506	2.7
69.03420	3.5
69.07069	2.1
69.88357	3.9
70.06596	1.2
71.04997	1.0
72.04510	2.5
74.06065	2.1
79.05544	4.3
81.07069	3.8
82.02940	1.0
83.04987	44.3
84.05334	1.2
91.05486	8.6
93.07039	4.2
95.04974	2.8
95.08608	3.1
98.06035	1.6
98.20831	1.2
103.05474	1.2
105.07033	9.7
107.08575	4.5
109.06528	1.3
109.10140	1.6
110.06062	2.6
115.05463	2.9
117.07030	7.2
119.08601	10.2
120.08930	1.0
121.10159	1.9
122.06042	3.9
126.05527	9.2
127.07578	3.3
128.06230	3.4
128.07109	1.8
129.07039	2.1
131.08591	8.0
132.08080	2.0
133.06488	2.4
133.10126	8.5
135.08052	2.1
140.07074	10.8
141.07019	2.4
142.07793	3.0
143.08575	7.1
144.09056	1.6
145.06491	4.8
145.08968	1.3
145.10110	8.6
146.09631	1.5
147.08061	3.5
147.11717	1.7
148.91463	0.9
149.09636	2.5
155.08574	2.8
156.09430	4.5
157.10139	8.0
158.19460	0.9
159.08092	4.3
159.11708	4.4
161.06013	3.1
161.09599	6.2
162.06352	1.4
162.09253	1.0
163.07556	2.5
164.10620	0.9
165.06978	1.3
165.09109	1.2
168.06566	13.6
169.10110	5.6
170.10904	2.4
171.08051	2.2
171.11688	14.0
172.00348	0.8
172.08722	1.0
172.12141	1.8
173.06049	1.2
173.09645	4.4
173.13295	2.1
174.09038	1.2
176.10771	2.0
177.09128	1.4
178.12244	1.1
179.08572	1.4
179.10654	1.7
181.10144	1.7
183.08049	2.0
183.11740	6.3
184.12128	2.4
185.09644	2.7
185.13268	7.8
186.09125	1.5
186.13667	1.9
187.11182	2.2
188.10638	4.7
189.09232	1.9
189.12920	1.2
190.12256	1.2
191.10799	1.6
193.10150	2.5
195.11737	3.1
197.09590	2.1
197.13316	2.2
198.10432	1.4
199.11200	6.5
200.11862	1.3
201.09094	1.2
201.12669	2.2
203.10667	1.1
204.10249	5.1
205.10895	2.6
206.11771	17.4
207.11819	2.7
209.09761	1.0
211.11215	2.0
211.14752	0.9
213.12769	10.3
214.13029	2.1
215.10809	1.5
217.08669	2.6
218.11844	2.2
219.11705	1.7
220.13448	4.6
221.09827	1.1
221.13431	3.1
222.11345	1.3
223.11130	1.4
225.12738	1.6
228.13860	1.2
229.12415	1.0
231.11888	1.7
231.13739	4.7
232.09929	1.4
233.13338	2.0
234.11281	2.3
234.13689	1.0
239.65233	1.1
241.12340	1.7
244.13142	1.1
247.14896	1.8
249.16570	1.8
258.14340	1.5
259.13190	1.8
261.12842	1.0
261.16223	1.7
273.16565	1.0
277.14294	1.7
284.12070	1.0
285.16397	1.2
286.14185	0.9
287.14523	2.1
287.17889	1.2
288.15945	1.4
289.15775	1.3
301.15851	1.1
304.15305	4.3
316.15100	1.8
332.17386	1.3
332.80432	0.9
344.17157	2.0
348.16080	1.2
357.18384	1.2
358.18906	2.2
374.18073	1.4
376.19971	2.6
386.18146	1.6
403.19180	2.0
404.19434	3.9
416.05240	1.0
422.20670	3.2
428.22131	2.0
434.23587	1.4
446.23331	3.5
464.24667	7.2
478.25180	1.0
482.25690	8.5
500.26501	1.4
524.26471	6.6
542.27551	20.0
560.28448	2.2
564.30151	1.5
582.30530	2.4
610.30194	1.9
624.31738	8.5
642.32727	100.0
643.33020	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	642.3271
Annotation	Proansamycin X
Peak:m/z	Relative Intensity
53.03944	2.5
55.01865	3.6
55.05514	39.2
56.05030	2.3
67.05515	3.0
67.84260	1.3
68.34244	1.0
69.03422	2.7
69.07064	2.2
70.06577	3.5
72.04520	3.3
74.06078	4.4
79.05485	5.1
80.05042	2.1
81.07056	4.0
82.02940	11.7
83.01328	1.1
83.04985	63.6
91.05477	7.6
93.07043	6.3
95.04956	3.0
95.08620	2.6
96.04459	1.2
97.06551	1.5
98.06064	12.7
105.03401	1.0
105.07035	10.2
107.04945	1.4
107.08607	4.9
108.04470	1.6
109.05285	1.9
109.06547	2.1
109.10139	1.4
109.40459	1.2
110.06059	2.0
115.05463	2.2
117.07048	6.3
119.08579	11.9
121.06519	1.9
121.10184	1.7
122.06062	1.2
123.08115	2.4
126.05522	100.0
127.07558	2.8
128.06226	2.7
128.07112	1.8
129.07011	4.9
130.07841	1.4
131.08585	6.7
133.06477	2.5
133.10121	10.6
135.08109	3.1
135.11745	1.2
136.07642	1.4
137.09586	1.4
140.53690	1.1
141.06935	2.2
142.07800	3.5
143.08574	8.5
145.06517	3.9
145.10083	5.7
147.08067	4.9
147.11708	1.6
147.92136	1.2
149.09673	1.7
152.07162	1.4
155.08594	4.4
156.09348	6.9
157.06512	1.5
157.10132	11.3
158.10948	1.1
159.08049	7.0
159.11656	5.2
161.09630	8.8
163.07610	1.6
163.11269	1.3
165.07028	1.9
167.08615	2.8
169.10133	6.0
170.10945	4.4
171.08113	3.6
171.11717	16.4
173.09621	7.3
173.13338	2.4
175.11203	1.9
176.10783	2.5
178.12280	1.6
179.08643	2.5
179.10719	2.1
181.10138	2.4
183.08116	3.5
183.11725	9.5
184.08881	2.5
185.09665	3.2
185.13252	12.2
186.09196	4.8
187.11302	3.2
187.14854	1.3
188.10698	20.7
188.12253	1.9
190.12325	1.1
193.10196	2.9
195.08170	1.6
195.11751	4.3
197.09602	5.0
197.13313	2.4
198.10535	2.3
199.11194	11.8
200.10646	2.0
200.12228	1.9
201.12802	3.0
202.12405	3.1
204.10187	6.8
205.10205	2.5
206.11794	28.9
207.11790	4.1
209.09677	3.0
209.13347	1.4
210.10516	1.6
211.07553	1.4
211.11237	4.3
213.09375	1.3
213.12746	20.6
214.08681	3.8
215.10730	1.1
215.14487	1.3
217.10323	2.3
217.12308	1.5
218.11746	3.9
219.11772	3.7
220.13396	5.5
221.13356	3.9
223.11208	5.3
223.14766	1.4
225.12825	2.2
227.10684	1.3
230.11322	2.2
231.11742	2.5
231.13895	4.7
232.09752	10.0
232.12276	2.3
233.09737	1.9
233.13301	3.9
234.11208	1.7
234.14201	1.5
235.11327	2.5
235.15034	1.9
236.11880	1.3
237.12860	1.8
240.13828	1.9
241.12283	2.2
243.11816	2.8
244.12936	4.9
245.09651	1.8
245.13292	4.9
246.10425	1.4
247.11307	3.9
247.14911	3.6
248.12041	1.4
249.12711	2.7
249.16458	1.9
254.11755	1.2
256.13083	1.9
258.14124	3.3
259.10956	2.5
259.13156	3.3
259.15048	4.3
260.12265	1.3
260.15741	2.6
261.12738	3.3
261.16470	3.0
262.13663	2.9
263.14413	1.6
263.18039	1.8
265.12323	1.9
267.12030	1.1
268.13461	2.9
269.13284	1.5
270.14529	1.4
271.14896	2.8
272.12167	1.2
273.12622	1.6
273.16333	3.7
275.14426	3.2
275.17798	2.3
276.15210	2.1
277.16168	1.4
283.14972	1.4
284.12900	3.3
285.12964	1.5
286.14221	5.2
287.14304	6.2
288.15970	10.5
289.15933	1.7
291.17505	3.2
298.14313	3.4
299.14532	1.3
301.15997	5.4
302.16797	3.0
304.15512	3.0
305.15375	1.7
314.14175	1.8
319.17010	4.5
320.17450	1.6
332.16830	1.6
338.17987	1.4
339.17361	1.4
360.19687	1.4
364.18921	1.6
386.21179	5.1
400.22876	6.4
402.24316	3.3
404.22403	1.9
410.21100	1.3
416.22330	4.1
418.23734	6.8
420.25830	2.3
428.22275	14.9
434.23495	3.2
446.23276	27.0
464.24292	25.5
482.25681	7.3
488.24548	1.4
494.48572	1.3
500.28394	1.4
506.25259	10.0
518.28638	1.3
524.26447	44.4
528.27490	2.7
542.27521	41.5
546.28577	4.5
564.29376	3.9
582.30890	2.2
588.29559	2.0
606.30646	8.1
624.31689	90.1
625.32489	2.5
642.32727	40.2
642.43445	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17596	3.8
53.03949	6.7
55.05516	9.8
62.22635	3.8
65.03926	4.4
67.05500	17.9
69.03439	24.9
69.07076	11.6
70.94397	8.3
70.94724	4.1
71.04987	8.5
79.05499	31.3
81.03415	7.0
81.07050	26.6
83.04985	8.1
83.08659	6.8
85.02889	10.6
85.06568	5.4
87.04466	12.2
89.58688	4.3
91.05487	35.8
93.07050	46.1
95.04961	15.5
95.08634	29.1
97.06544	42.1
99.04439	6.7
103.05486	4.6
105.07035	46.6
107.04987	7.1
107.08607	32.3
109.02869	5.6
109.06520	16.5
109.10146	10.9
111.08122	3.9
113.06034	5.6
117.07014	18.9
119.08592	52.1
121.06504	12.3
121.10137	15.0
123.08120	7.3
125.06062	6.2
127.03918	9.5
128.06252	7.9
128.20667	5.0
129.06999	18.8
131.08569	44.0
133.06490	6.2
133.10181	29.6
135.08043	12.3
135.11729	6.3
137.05988	11.2
137.09586	6.4
139.03880	5.9
139.07521	26.2
141.05426	5.9
141.07013	12.6
142.07784	11.2
143.08563	36.8
145.06491	4.6
145.10112	37.4
147.08041	17.4
147.11705	11.9
149.09622	6.1
151.07527	10.5
153.09077	4.6
155.08527	22.7
156.09282	7.3
157.10161	45.4
159.08040	18.0
159.11679	24.5
161.05994	4.6
161.09636	17.3
161.13275	5.8
163.07578	7.0
163.11229	6.1
165.07082	4.8
165.09119	12.4
167.07124	8.5
167.08492	9.7
168.09393	5.4
169.10132	40.9
171.08118	10.5
171.11693	31.6
173.06020	4.4
173.09622	14.2
173.13321	7.3
175.07526	11.3
175.11194	10.5
177.09137	13.1
179.08620	12.3
180.09341	7.5
181.10149	32.2
182.10902	4.8
183.06572	6.8
183.08057	7.5
183.10234	7.4
183.11685	46.9
185.08075	24.5
185.09674	16.4
185.13211	21.4
187.11220	10.4
189.09114	16.2
191.10670	10.1
192.09404	8.9
193.10052	21.9
194.10855	8.1
195.08086	6.4
195.10112	7.3
195.11732	31.6
196.12415	5.7
197.09599	10.0
197.13309	20.8
199.11189	12.0
199.14874	7.8
201.09109	17.1
201.12775	6.3
203.07021	5.3
203.08832	5.4
203.10645	9.1
205.08365	4.7
205.10165	11.0
205.12126	4.3
206.10930	6.5
207.10023	8.5
207.11827	25.5
208.12611	6.9
209.09668	7.2
209.11560	7.3
209.13367	26.5
210.10410	5.3
211.11188	13.4
211.14857	16.5
212.15637	7.1
213.09094	10.8
213.12794	7.3
215.10724	16.9
215.14320	4.7
217.10263	6.1
219.10072	18.5
219.11781	16.3
220.10579	10.5
220.12462	7.2
221.11435	8.2
221.13429	24.2
222.14189	6.7
223.11191	11.5
223.14780	17.9
225.09113	6.8
225.12790	8.1
225.16385	9.0
227.10736	14.0
227.14259	8.4
229.12288	9.9
230.11078	5.1
231.11713	8.1
231.13773	5.9
232.12436	7.0
233.13266	18.8
235.11140	9.6
235.14870	14.8
237.12726	12.4
237.16367	10.6
239.10666	8.0
239.14270	9.6
241.12195	10.5
241.16014	5.2
245.13274	9.9
247.14897	12.3
249.12851	6.4
249.16542	6.8
251.17931	13.4
253.12340	6.0
255.13829	13.0
259.14862	7.7
261.12885	5.2
261.16379	8.3
263.14267	10.7
263.18073	6.2
265.12231	5.8
265.15891	12.0
267.13678	10.9
269.15421	11.9
275.14349	10.0
277.16043	5.2
279.14105	5.5
279.17529	5.3
281.11893	5.7
281.15384	11.0
289.15759	12.5
291.12518	5.1
291.17462	8.1
293.15558	7.3
295.16959	11.1
301.14670	3.9
307.16965	7.3
309.18478	11.7
311.20084	5.4
315.15918	10.0
317.19031	6.7
325.17896	4.8
327.19620	10.9
333.17603	13.6
335.16412	9.9
335.20020	9.4
337.17896	14.6
351.19604	7.6
353.17404	15.1
353.21262	7.7
355.19104	25.5
357.20670	5.3
359.19968	16.6
363.19397	11.9
371.18341	10.3
371.22418	6.4
373.20178	34.3
375.19299	5.3
377.21002	23.3
379.18857	10.2
381.20587	16.4
387.19528	14.0
389.19452	4.6
393.20547	11.1
395.22263	11.9
397.19901	17.6
399.21640	18.8
405.20630	43.7
409.20145	11.7
411.21829	9.6
415.20767	13.3
417.22748	9.5
421.19803	5.4
423.21634	54.1
425.23334	7.0
427.21167	17.1
433.19922	20.4
439.21164	10.6
441.22903	33.2
445.22208	11.2
451.21191	50.5
457.22012	10.1
459.23764	28.2
469.22342	62.2
475.23248	10.2
487.23309	100.0
505.24509	31.2
616.30579	4.6
642.30157	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	641.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.05513	2.8
57.03442	1.1
57.07064	0.6
66.87484	0.7
67.05515	7.4
68.05824	0.9
69.07076	4.7
71.47910	1.1
79.05500	4.1
81.07059	8.4
82.07410	1.3
83.08626	2.2
85.06548	0.7
91.05493	2.4
93.07047	3.1
95.08616	8.4
96.08920	0.8
97.06515	0.6
97.10168	1.8
105.07055	1.5
107.08613	1.6
109.10138	3.5
110.10533	0.6
117.07063	0.8
119.08629	1.9
121.10176	2.5
123.11749	0.8
131.08603	1.1
132.45364	0.7
133.10146	1.7
135.11761	0.9
145.10172	0.7
147.11743	1.0
161.13290	0.6
202.77248	0.7
226.35933	0.7
315.19388	5.1
320.33823	0.7
327.25330	2.6
328.25739	2.4
335.25891	1.4
336.26160	0.8
349.23633	2.0
354.27493	1.4
363.02783	0.7
371.21991	2.3
396.28070	0.6
461.05161	0.7
529.38885	1.0
588.46979	0.8
606.48126	6.4
641.43933	100.0
642.44067	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01864	7.8
55.05504	3.9
57.03432	3.5
67.05494	10.0
68.41808	2.3
69.03410	5.1
69.51447	4.1
69.51854	12.9
70.06575	2.7
75.04485	2.7
79.05489	14.3
79.28619	2.3
81.03410	9.8
81.07034	6.5
85.02898	5.9
91.05493	7.8
91.77150	2.3
93.07034	11.0
95.04974	13.2
95.08603	8.6
103.05492	2.8
105.07037	42.2
107.04978	5.7
107.08593	5.0
109.06522	9.1
111.04452	2.4
115.05447	4.4
117.07019	7.1
119.04906	4.2
119.08594	12.2
121.06484	9.8
123.04403	4.4
123.08058	7.9
125.02372	8.0
125.06023	3.0
127.03935	2.7
128.06216	6.5
128.49579	2.4
129.07004	6.9
131.08568	31.0
133.06488	59.1
133.10143	2.7
135.08044	9.6
136.06151	11.7
137.05981	8.5
141.06996	3.6
142.07800	4.0
143.08595	15.4
145.06488	24.2
145.10156	16.8
147.08054	13.5
149.05969	7.1
149.09589	2.6
151.07515	11.1
154.07709	2.3
155.08556	8.5
156.09293	3.5
157.06419	3.4
157.10120	10.3
158.07262	4.0
159.08061	39.8
159.11670	7.7
161.05978	84.7
161.09578	6.5
163.07529	3.6
168.09328	3.3
169.06477	4.6
169.10135	5.6
171.08066	9.8
171.11658	11.2
172.08792	5.1
173.05994	3.9
173.09647	14.1
173.13239	12.6
175.07509	3.7
177.05443	4.0
179.06996	18.3
181.10173	3.6
183.11694	8.4
185.09618	7.8
185.13297	3.8
186.10390	5.3
187.07501	7.9
187.11151	7.1
189.09091	5.6
189.12828	2.7
193.16080	3.2
197.09612	7.5
197.26073	2.5
199.07556	5.6
199.11172	17.7
201.09151	4.2
201.12743	39.3
203.07014	5.1
203.33888	3.0
209.09596	3.2
211.11147	4.9
213.09140	4.0
215.10669	4.8
217.08653	4.4
219.13762	7.7
225.09227	2.5
227.10620	17.1
229.08784	3.4
229.12152	3.4
231.06551	20.0
234.13371	12.8
235.09659	18.9
243.10165	4.4
245.07806	2.8
245.11780	9.9
273.11194	46.5
289.10638	6.7
291.12250	86.4
309.06488	2.7
317.10452	3.4
347.15210	3.4
367.60522	2.7
387.15497	3.9
393.15390	39.7
407.18457	3.2
409.14960	10.0
411.16489	92.9
433.16605	2.8
447.16498	3.6
451.17462	18.4
465.17542	3.6
469.18457	16.6
487.19778	7.1
553.20789	12.5
571.21722	100.0
589.22760	35.8
607.23840	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48490	2.0
53.03944	2.5
54.01286	1.9
55.01886	20.4
55.05521	10.1
57.06828	2.9
57.07080	44.8
57.07508	2.4
65.03954	2.2
67.05488	9.3
69.03441	4.8
69.07069	5.3
69.20063	20.0
79.05512	11.7
81.03439	12.8
81.07042	9.0
83.04988	15.5
84.05343	2.1
85.06544	4.5
91.05488	36.0
93.07057	10.0
95.04987	10.4
95.08599	7.0
103.05459	3.5
105.07038	29.7
107.04950	7.4
107.08589	12.0
109.06520	3.7
109.10163	3.6
115.05431	11.2
116.06246	3.5
117.07034	25.9
119.08599	29.4
120.08891	3.0
121.06503	4.2
121.10134	5.4
128.06204	11.8
129.07037	25.6
130.07793	3.8
130.36455	2.1
131.04961	4.1
131.08592	23.2
131.91188	2.0
132.05681	3.4
133.06500	5.1
133.10147	22.2
135.08058	5.1
141.07007	5.6
142.07776	13.0
143.08556	22.2
144.05756	3.5
145.06490	22.1
145.10136	21.5
147.08067	100.0
147.11778	2.5
148.08403	3.3
149.09610	6.3
153.07036	3.0
154.07674	3.3
155.08551	8.6
156.09392	16.6
157.06458	3.6
157.10153	38.2
158.07306	2.4
159.07019	1.7
159.08066	50.3
159.11723	4.8
161.09628	51.0
162.10008	2.3
163.07567	37.7
163.11189	6.9
165.06976	5.8
166.07726	2.9
167.08562	5.2
168.09360	3.0
169.10117	20.6
170.10931	11.0
171.08090	14.5
171.11697	60.8
172.08742	2.3
172.12061	4.1
173.06036	4.3
173.09630	27.3
175.07573	29.9
175.11223	4.3
179.08519	3.6
180.09373	2.9
181.10141	6.1
183.08096	5.0
183.11690	32.0
184.08783	2.3
185.09639	19.9
185.13286	46.3
186.13580	4.2
187.07559	3.2
187.11153	9.1
189.09102	4.7
191.10721	3.7
193.10152	4.2
194.10722	2.2
195.08047	3.2
195.11813	12.2
197.09625	12.3
197.13292	11.6
198.10387	4.9
199.11208	28.9
200.11935	2.5
201.09131	4.2
201.12788	2.3
202.07664	2.7
204.09276	2.5
205.12086	3.0
206.10898	3.7
207.11710	8.4
209.09605	5.1
209.13315	4.6
211.11165	8.8
213.09132	4.8
213.12769	40.8
214.13077	2.9
215.10664	5.3
217.12244	5.6
218.10815	2.7
219.11668	5.9
221.13441	5.1
223.11169	7.5
223.14825	2.8
225.12787	2.5
227.10603	3.7
229.12189	4.5
230.10965	3.2
231.09883	2.9
231.11877	4.0
231.13837	10.8
232.12405	3.7
233.13510	2.8
235.11125	2.9
235.15076	2.7
237.12753	5.3
238.14984	2.1
239.10576	4.2
241.10107	2.7
241.12106	10.4
243.11630	4.0
243.13881	8.6
244.12407	3.3
245.13284	4.4
245.15433	38.4
246.10406	2.6
247.11171	4.6
247.14783	3.3
248.11871	3.0
249.12677	4.2
249.16438	2.6
251.14410	3.2
254.10771	2.9
255.13795	5.6
257.13208	5.6
257.15573	3.5
258.13889	3.3
259.11072	3.5
259.13034	11.3
261.09055	2.4
261.12820	4.0
263.14374	4.3
265.12244	2.9
268.12585	3.6
269.13229	5.0
270.14053	4.9
271.11026	4.5
271.14597	3.1
273.12634	3.4
273.14929	25.6
274.10583	2.0
274.13422	4.8
275.14175	5.7
275.20126	3.0
277.15863	3.2
279.13852	3.7
281.13297	2.2
282.13971	2.2
283.11185	4.6
283.14703	4.9
284.11993	3.0
284.15488	3.2
285.12650	7.8
286.13474	4.5
287.14285	8.0
289.12051	2.3
289.15662	2.6
296.11826	3.5
297.12762	10.5
297.15930	2.6
299.14291	7.6
300.15005	3.8
301.15836	7.3
303.14044	2.8
303.17276	3.6
305.15103	2.3
311.14288	6.1
312.15002	7.6
313.12418	2.3
313.15802	7.3
314.16504	2.7
315.14148	2.4
315.17377	7.8
317.15469	2.8
317.18890	8.8
325.12173	2.5
325.15857	3.2
326.16782	4.1
327.14059	4.5
327.17484	18.3
328.18137	4.1
329.15338	10.3
329.18936	6.5
331.16562	2.8
331.20468	4.4
340.14398	2.9
341.19006	17.1
345.18384	11.7
354.16327	3.5
357.18350	11.3
359.20114	14.3
361.18140	4.0
369.18643	17.2
377.20868	5.1
387.19617	30.4
388.19873	6.0
389.21097	14.1
391.22662	13.6
401.21140	32.8
405.20718	4.5
411.21631	2.3
419.22205	43.4
437.23254	7.1
445.29346	3.3
447.21518	8.5
465.22418	4.2
479.24286	18.5
507.24091	3.1
525.24719	2.5
539.26172	8.3
603.45898	2.5
609.30304	7.4
623.33020	14.6
641.30316	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	641.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.01871	18.3
55.05505	5.1
57.06833	3.0
57.07080	44.9
67.05502	5.8
69.03429	5.5
69.07058	3.1
69.88126	9.5
70.01942	2.9
79.05493	9.4
81.03419	14.8
81.07040	6.1
83.04956	5.0
84.05315	3.1
85.06547	6.7
91.04972	3.6
91.05492	36.8
93.07042	9.8
95.04961	10.4
95.08614	4.8
95.88198	2.3
97.10135	2.5
103.05390	2.4
105.07033	20.7
107.04945	4.9
107.08611	5.9
109.06522	5.7
115.05459	14.5
116.06238	3.2
117.07030	23.1
119.08585	31.5
121.10190	2.7
123.08060	2.7
128.06210	10.3
129.07028	23.1
130.07770	4.1
131.08572	23.9
132.05756	2.6
133.06474	2.4
133.10143	18.1
135.08037	3.2
141.06982	7.1
142.07779	9.8
143.08577	29.9
144.05707	4.0
145.06493	23.1
145.10129	17.1
146.07254	3.2
147.08057	100.0
149.09604	8.6
153.07014	6.4
155.08531	10.2
156.09355	15.4
157.06445	5.3
157.10152	33.3
159.08076	47.9
159.11729	7.0
161.09633	51.4
163.07564	42.8
163.11194	3.5
165.06993	4.6
167.08589	4.7
169.10126	17.9
170.10867	8.6
171.08093	12.3
171.11696	56.5
173.06003	3.9
173.09653	26.1
175.07565	28.1
175.11197	5.8
179.08493	5.2
180.09291	4.4
181.10088	9.4
182.10905	5.1
183.08017	4.0
183.11716	25.6
184.08818	5.0
185.09612	22.3
185.13251	43.2
187.11180	7.3
190.07773	2.9
191.10596	4.2
193.10081	4.2
195.11745	13.3
197.09618	11.0
197.13210	10.3
198.10400	5.1
199.11205	28.0
201.09204	3.2
201.12711	3.6
203.10747	4.2
205.12186	5.5
206.10913	3.4
207.11739	7.4
209.09654	5.9
209.13219	6.0
211.11194	9.4
213.09230	4.6
213.12743	46.5
215.10651	4.8
217.12231	4.7
219.11774	4.7
220.12549	4.0
221.13365	6.6
222.10336	2.8
223.11182	7.8
225.12650	2.8
227.10628	4.8
229.10170	4.0
229.12300	6.9
231.09950	4.2
231.13768	8.2
233.13437	4.0
235.11153	4.8
237.12730	5.4
239.10890	4.1
241.12299	8.8
243.13780	6.9
244.12454	4.7
245.13188	5.3
245.15384	38.1
246.10353	3.5
247.11166	4.6
249.12689	6.4
255.13838	6.5
256.12546	4.5
258.14105	3.0
259.11044	4.3
259.13367	11.1
261.12808	4.9
262.13339	2.7
263.14233	3.0
268.12537	3.4
270.10532	2.7
271.11050	3.3
271.14499	3.0
272.11963	5.6
273.12701	2.7
273.14905	28.3
274.13272	3.0
275.14249	4.0
283.11151	6.1
284.12036	3.9
285.12723	6.7
286.13504	5.9
287.14175	5.6
291.13614	2.6
296.11868	3.1
297.12656	8.8
299.14334	6.7
299.17883	2.8
300.15298	2.7
301.15796	10.0
308.15729	2.8
311.14288	6.1
312.15112	7.6
313.12195	3.6
313.15851	5.3
313.19260	2.7
315.13904	3.2
315.17374	10.4
317.15689	3.4
317.19037	8.2
326.16608	3.4
327.13925	5.1
327.17404	23.9
328.18011	5.3
329.15326	10.3
329.18973	6.3
331.20425	4.0
341.18954	16.5
345.18573	7.6
357.18442	14.4
359.19922	12.1
361.17673	4.1
369.18591	23.8
387.19583	28.3
389.16666	2.9
389.21078	15.5
391.22699	10.8
401.21146	27.8
405.20831	4.4
419.22256	45.8
436.41110	2.7
437.23032	6.8
447.21570	9.5
461.23526	4.5
479.24292	17.1
503.27448	3.8
507.23676	5.2
525.24792	3.5
533.57910	2.7
539.26270	8.6
581.27759	7.7
609.29999	7.3
623.32355	15.4
641.29657	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	641.2969
Annotation	Crooksiine
Peak:m/z	Relative Intensity
51.46841	0.9
53.03942	0.8
55.01856	1.1
55.05508	2.5
57.03419	1.2
58.07565	0.7
62.72826	0.8
64.15580	0.7
67.05499	7.3
69.03422	0.9
69.07054	1.9
69.93479	3.4
79.05491	6.5
81.07071	5.9
82.26717	0.8
83.05010	1.5
83.08627	1.1
91.05475	5.6
93.07037	6.7
95.04931	1.9
95.08626	3.8
97.10184	1.4
105.07056	3.6
107.08614	3.3
109.06524	1.3
109.10155	1.4
117.07024	3.6
119.08600	3.2
121.10155	2.9
129.06972	1.3
131.08575	3.5
133.10135	2.2
135.11775	1.4
143.08614	1.0
145.10152	1.9
147.08099	1.2
147.11705	1.5
157.10118	1.5
159.11676	2.2
163.11215	1.3
171.11667	1.2
173.09659	1.3
198.45918	0.9
273.18701	0.9
289.18027	1.4
312.82419	0.8
335.25958	1.4
340.27661	0.8
340.89658	0.9
391.19287	2.1
393.20850	0.9
405.17102	2.9
407.22574	5.0
419.18301	3.9
420.19418	1.5
421.20175	2.9
433.20953	4.7
434.21259	5.2
435.21729	9.5
438.59738	0.8
447.17450	3.7
448.18640	1.5
449.19925	2.6
451.21036	1.0
461.19788	3.2
462.20370	5.6
463.21173	5.0
475.21481	4.1
477.23181	0.9
489.23169	2.4
493.22723	1.3
521.25720	10.9
529.38507	0.9
543.36578	1.2
549.24994	42.3
550.25275	0.9
563.26276	2.5
581.27673	9.4
595.25903	1.0
609.27069	100.0
610.27570	2.2
623.28589	7.5
623.43243	2.0
624.29297	3.4
641.29688	58.2
641.44897	3.8
642.30511	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2971
Annotation	Crooksiine
Peak:m/z	Relative Intensity
53.03957	0.8
55.05511	1.8
60.93056	0.5
65.93446	0.5
67.05503	5.4
69.03426	0.8
69.07088	1.4
71.04959	0.6
77.38763	0.5
79.05504	5.0
81.03455	0.6
81.07059	5.7
83.04975	1.0
83.08630	0.8
91.05484	4.9
91.94202	0.6
93.07054	4.7
93.95166	0.7
95.04965	1.5
95.08626	3.7
105.07034	3.1
107.08621	2.9
109.10216	0.8
111.08086	0.6
117.07059	1.9
119.08607	4.1
121.06501	0.5
121.10160	1.2
129.07071	1.3
131.08566	3.1
133.10146	1.8
135.11682	1.3
143.08620	0.9
145.10127	2.3
147.11697	1.5
147.91638	0.6
157.10170	0.9
159.08076	0.7
159.11707	0.9
161.13297	0.6
163.11201	0.6
168.08102	0.8
169.30168	0.6
171.11781	1.8
183.11775	1.3
184.09955	1.9
185.13387	1.0
187.11211	0.6
195.09293	0.9
196.09865	0.7
199.08679	0.7
209.10831	1.8
210.11533	3.2
212.09506	1.7
217.10371	0.6
223.08705	1.2
223.12375	0.6
224.13304	1.0
225.10265	2.2
225.13956	1.0
227.11803	5.9
235.08766	1.7
236.09538	1.8
237.10213	2.3
237.13940	0.6
238.11070	1.1
238.14703	0.6
239.11757	3.1
240.12659	1.4
241.13394	1.4
247.08742	0.9
248.09535	0.8
249.10335	2.4
250.10786	0.9
251.08296	1.0
251.11882	0.7
253.10217	0.6
253.10675	0.8
253.13388	7.8
255.14749	0.8
263.08240	1.7
265.09692	3.1
275.08255	1.1
277.09821	3.4
289.09833	0.7
289.18051	1.1
291.07684	1.1
293.08966	0.8
303.07742	0.9
305.09247	0.9
307.10825	2.4
323.10556	0.8
335.25854	1.8
339.13513	0.9
352.14838	0.6
353.11578	0.7
366.12292	0.8
367.13004	1.3
378.12360	0.9
380.14102	1.3
391.19412	0.9
403.15778	1.7
404.16409	1.3
405.16751	1.1
418.18552	0.8
419.18808	2.1
421.20428	0.9
429.13794	0.7
431.15149	2.0
432.16040	2.4
433.15836	2.8
435.22287	0.7
436.22638	1.8
444.16000	0.9
445.16724	1.4
446.17374	0.8
447.17667	3.0
448.18869	1.7
449.19818	4.1
452.21005	0.8
459.17920	2.0
460.14969	0.8
461.19678	2.6
462.20578	9.0
463.21594	3.4
464.22522	1.3
472.15189	0.7
473.16180	1.4
474.16302	0.9
475.17627	2.3
475.22592	0.8
479.20840	1.1
481.22275	1.2
485.17401	0.6
487.17392	2.9
488.18372	0.8
489.18945	1.9
489.23868	0.8
491.20511	0.9
494.22928	0.8
495.24326	0.7
500.20068	0.7
501.19458	1.2
502.19998	1.6
503.20929	1.9
505.18845	1.2
507.19727	3.5
515.17126	0.9
517.22369	3.5
519.20123	1.3
521.21857	1.7
529.19098	0.8
534.22705	1.4
535.24170	0.9
545.21722	2.9
549.25360	5.3
550.25134	0.7
563.25720	0.9
567.25793	1.9
568.26178	5.4
577.24548	15.1
581.27954	0.7
598.27069	1.2
609.27118	76.1
610.27484	2.0
623.27631	1.1
623.43005	1.9
641.29742	100.0
642.30273	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2966
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
69.98930	1.3
69.99335	1.0
158.11481	0.5
179.70790	0.5
180.50473	0.5
201.41888	0.4
221.10573	0.5
223.12404	0.9
276.15234	0.5
373.14600	0.6
389.18127	0.6
391.19473	1.1
392.19586	0.9
401.17770	1.8
402.18802	1.1
403.19302	2.5
404.20325	1.6
405.20883	1.6
406.21616	0.9
407.22263	1.5
415.19360	2.9
416.20016	2.4
417.20996	3.4
418.21439	1.6
419.22427	1.8
421.23895	1.6
428.20239	0.7
429.21347	2.8
430.21649	2.0
431.22903	4.2
432.23096	1.5
433.24225	6.3
434.24951	0.8
435.21896	1.1
443.17947	0.8
444.23163	2.2
445.24899	4.3
446.25089	0.7
447.25482	2.1
448.19214	1.5
449.23502	1.0
457.19876	0.7
458.25259	0.8
459.20941	3.4
460.23050	2.6
461.19785	2.0
462.20401	5.3
463.20932	4.5
472.22556	1.8
473.23636	4.9
474.24310	2.7
475.21228	6.1
476.21979	1.5
477.22861	14.6
478.23648	0.9
485.23575	1.6
486.24213	0.6
487.24908	6.1
488.26080	0.7
489.23090	2.2
490.23190	0.8
491.24548	4.6
494.26834	1.0
503.24298	1.4
505.25903	1.9
506.26666	2.6
515.24487	2.4
517.21722	0.9
518.23102	1.7
519.27661	3.0
521.22284	1.0
531.23883	0.6
532.24744	1.1
534.22260	0.7
535.22778	3.1
545.25439	9.7
546.26166	1.6
547.27045	15.3
549.24988	12.7
550.25751	16.2
559.23254	0.8
561.21875	0.6
563.26709	3.1
564.26886	3.3
576.23639	0.6
577.28052	1.7
579.29529	6.8
591.26074	12.1
605.27600	20.2
623.28638	100.0
624.28967	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	641.2976
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
50.42846	0.3
53.03951	0.4
55.01878	0.5
55.05523	0.9
59.59161	0.3
67.05500	1.2
67.20010	0.4
69.07074	0.6
79.05499	0.5
81.07080	0.7
83.04977	1.1
91.05484	1.1
92.83763	0.4
93.07044	0.8
95.08627	0.5
105.07040	0.5
107.08630	0.5
117.07031	0.6
119.08544	0.8
131.08566	0.6
133.10170	0.8
143.26334	0.4
145.06519	0.5
147.08066	0.9
148.08418	0.7
157.10097	0.5
163.07568	0.5
164.08058	0.4
171.11726	0.6
181.59180	0.4
185.10922	0.5
197.10835	0.4
209.10757	1.1
210.11598	1.2
211.12384	1.0
213.12598	0.5
221.10744	0.4
223.12308	0.9
224.13062	0.7
225.13867	1.8
226.14659	0.4
227.11855	1.4
235.12303	0.6
237.13811	1.1
238.14711	1.0
239.11838	0.7
239.15514	1.8
244.14262	0.4
245.14929	0.4
251.11861	0.5
263.15149	0.5
267.11655	0.4
269.13019	0.5
273.14169	0.5
275.20099	0.5
281.12915	0.5
287.15527	0.4
289.12988	0.4
290.13052	0.4
290.16403	0.6
298.13470	0.5
298.61832	0.5
299.14243	0.6
304.14587	0.5
307.10892	1.2
312.14996	0.5
313.15720	0.9
314.16513	0.5
318.16089	1.3
319.16803	1.3
328.18103	0.6
329.16272	0.5
330.15897	0.7
331.17834	0.8
332.17526	0.8
333.18497	0.4
334.19232	0.6
344.17285	0.8
346.19324	0.9
347.04578	0.5
347.19592	0.4
354.12317	0.4
360.16940	0.6
360.20898	0.7
369.14694	0.6
374.18701	0.8
378.18619	0.6
384.17188	1.5
389.17392	0.5
390.22189	0.6
391.19171	0.8
392.19952	2.0
393.20795	1.1
400.16724	0.4
401.17783	1.2
402.18115	0.6
403.19101	1.9
404.20065	1.5
405.21112	1.1
406.21570	3.3
407.22223	4.1
412.16733	1.5
414.18716	0.9
415.19574	1.8
416.20383	2.2
417.20999	3.1
418.21582	1.9
419.22556	2.6
420.23074	2.2
421.23746	3.9
422.24500	4.9
426.17987	0.8
427.19452	0.6
429.21289	2.8
430.21600	1.6
431.22830	3.0
432.23511	0.8
433.17892	0.5
433.24106	6.0
434.18784	0.6
434.24533	4.1
435.21820	0.9
443.22372	1.2
444.18341	3.5
445.19547	1.4
445.24036	3.0
446.24911	0.8
447.25604	1.2
448.19220	0.5
448.26541	0.6
449.23373	1.2
457.19385	0.6
457.24820	0.6
458.25635	0.5
459.21179	3.3
460.22546	2.2
461.19907	1.4
462.20444	3.5
463.21378	4.0
471.21658	0.5
472.22766	1.3
473.23581	4.2
474.24448	2.7
475.21378	4.2
476.22131	1.7
477.22995	13.0
485.23514	1.3
487.25064	5.5
488.25970	0.5
489.23044	1.7
490.23834	0.7
491.24597	4.9
503.24542	1.3
504.25162	0.5
505.26031	2.2
506.27118	2.2
515.24591	1.5
517.22034	0.6
518.23340	0.7
519.27771	2.3
523.27185	0.8
531.24139	1.0
532.24878	0.8
533.24030	0.4
534.23053	0.4
535.22913	2.6
545.25555	8.0
546.26379	1.1
547.27094	14.4
549.25018	9.4
550.25800	13.1
563.26709	2.8
564.27509	2.6
565.28564	0.8
573.24835	0.9
577.26898	0.7
579.29730	6.1
581.27057	0.9
591.26031	10.8
605.27618	16.7
609.27081	10.1
623.28699	100.0
624.29285	2.0
641.29779	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	641.2959
Annotation	Crooksiine
Peak:m/z	Relative Intensity
50.01532	1.4
53.03954	2.2
54.62350	1.4
55.01880	9.0
55.05519	34.4
65.03944	1.4
66.87829	1.6
67.05489	4.5
68.09916	1.7
69.03429	6.6
69.07043	1.4
69.25989	4.5
69.26410	10.2
69.41936	1.5
79.05486	6.5
81.03414	7.9
81.07045	6.7
83.04487	3.0
83.04987	57.3
83.08556	1.4
91.05491	31.7
93.07047	5.4
94.42295	1.5
95.04963	9.5
95.08605	2.8
103.05460	3.4
105.07028	15.3
107.04967	5.7
107.08588	13.4
109.06535	1.9
115.05479	11.4
116.06232	6.7
117.07029	16.1
119.08594	25.9
121.06487	4.7
121.10129	4.2
128.06215	5.6
129.07018	18.4
130.07773	3.4
131.04959	4.3
131.08592	29.5
133.06430	3.9
133.10143	14.9
135.08051	8.0
141.07005	7.5
142.07809	6.2
143.08563	12.1
144.05669	4.8
144.09367	4.0
145.06512	14.2
145.10129	12.2
146.07285	1.9
147.08057	37.2
149.09654	2.6
153.07057	3.0
154.07788	4.1
154.59262	1.6
155.08594	6.2
156.09387	9.8
157.06512	3.2
157.10141	37.6
158.07350	1.9
159.08070	100.0
159.11697	18.8
161.06010	2.5
161.09633	12.2
163.07564	9.1
165.06992	3.5
166.07739	2.0
167.08511	2.3
168.09346	2.4
169.10138	17.0
170.10854	4.4
171.08134	4.0
171.11717	20.0
173.06053	3.3
173.09631	47.1
173.13234	6.5
175.07567	8.7
175.11153	3.2
177.09071	2.5
179.08572	3.7
180.09361	2.7
181.10170	3.8
182.07378	2.3
183.08130	2.6
183.11700	22.1
185.09673	4.5
185.13228	7.6
187.07597	2.8
187.11191	10.7
189.09111	3.0
193.10075	3.8
195.11728	3.6
197.09641	15.6
197.13264	4.0
198.10303	2.9
199.11185	11.4
201.09027	7.3
201.12790	7.1
203.10645	3.7
206.10905	4.4
207.11671	6.7
208.12210	2.0
209.09644	2.9
209.13234	3.4
210.10394	1.6
211.11194	5.9
213.12744	6.4
215.08681	2.7
215.10704	25.8
217.10310	2.8
217.12245	6.0
218.10951	2.4
219.11871	3.0
219.13832	6.7
220.12640	1.9
221.09772	1.9
221.13234	5.9
223.11160	5.4
223.14806	2.6
225.09149	2.6
225.12808	2.1
227.10805	2.2
229.12170	11.4
230.10901	2.2
231.11908	3.1
231.13829	3.7
232.12401	3.3
233.13396	2.9
234.10367	1.7
235.11172	2.7
235.14819	3.1
237.12720	3.9
241.12265	1.7
243.11778	3.2
244.12483	3.6
245.13438	2.9
246.10385	2.3
247.13126	3.3
249.12766	3.0
251.10672	1.8
251.14388	3.2
256.12482	2.0
257.13455	4.3
258.13962	3.1
259.11118	3.2
259.14911	2.4
260.11917	3.8
261.12756	3.2
263.14301	2.7
267.11584	3.5
270.14069	3.6
271.11206	2.3
271.14771	4.1
273.12622	3.7
275.14447	2.5
277.12332	2.3
282.14041	2.8
285.12750	6.6
285.16104	1.7
286.13489	2.0
287.14255	3.1
287.17566	3.2
297.16321	3.8
298.13489	2.4
299.14325	5.0
300.15060	7.2
301.15842	3.5
307.16989	2.0
311.14395	2.5
313.12280	1.8
313.15811	5.7
315.13889	2.6
315.17386	26.2
316.18121	2.3
317.18967	2.6
319.13190	2.6
324.15103	2.2
325.15869	3.4
327.13614	2.8
329.15469	2.3
329.18976	7.5
333.18353	3.4
339.17517	3.7
341.15378	2.3
343.16867	7.0
345.14920	2.4
347.16309	1.9
347.19977	2.4
357.18628	13.5
359.16232	2.8
359.20197	3.7
361.17972	2.8
367.16794	2.6
373.17804	2.8
375.19580	41.4
385.17801	8.5
393.20557	8.0
403.19052	32.6
421.20129	21.8
435.21558	2.6
445.19876	2.0
463.21170	15.2
481.22128	4.3
523.23358	17.8
541.24188	1.7
623.28235	1.8
641.29230	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	641.2959
Annotation	Euphorbia diterpenoid 1
Peak:m/z	Relative Intensity
53.03948	3.4
55.01868	6.2
55.05519	64.7
56.12318	3.9
56.98821	3.3
64.34831	3.9
67.05490	8.5
69.03430	37.8
69.07056	5.6
69.35920	11.4
69.36346	21.0
79.05495	15.8
81.03430	7.2
81.07053	9.1
83.04990	100.0
91.05489	39.1
93.07038	15.5
95.04958	10.4
95.08609	7.0
98.21519	3.7
103.05479	4.6
105.07041	49.2
107.08591	15.3
109.06520	9.0
115.05482	22.5
117.07021	40.6
119.08601	44.0
121.06496	8.4
121.10152	8.3
128.06224	17.0
129.06989	20.5
130.07832	4.0
131.04956	4.2
131.08591	29.9
133.06516	20.0
133.09390	3.5
133.10164	38.2
135.08051	15.2
137.06079	4.1
141.06975	9.4
142.07779	15.8
143.08569	43.8
145.06476	32.7
145.10138	29.4
147.08052	28.0
149.09583	12.6
153.07030	7.3
154.07803	5.2
155.08563	20.9
156.09377	27.0
157.06508	4.3
157.10156	46.7
159.08040	23.1
159.11732	8.2
161.05971	26.0
161.09628	23.6
163.07547	33.1
163.11212	7.7
165.07050	8.7
165.09076	6.4
166.07784	6.0
167.08543	9.6
168.09285	4.5
169.10118	35.7
170.10934	29.9
171.08058	16.6
171.11703	99.7
172.08794	4.9
173.05983	24.9
173.09618	20.5
173.13290	10.7
175.07509	13.3
175.11229	7.4
177.09116	16.4
179.08629	5.8
180.09344	8.2
181.10170	10.1
182.10884	5.3
183.08054	15.2
183.11699	69.8
184.08844	7.5
185.09642	17.5
185.13266	68.3
187.07611	7.9
187.11174	14.0
187.44206	4.1
189.05525	24.1
189.09119	15.8
191.07031	8.3
191.10698	4.7
193.10182	5.3
195.11749	23.5
197.09618	12.7
197.13287	22.3
198.10416	13.1
199.11195	66.0
201.09087	12.2
201.12759	7.9
203.07045	7.6
203.10655	5.3
205.10139	7.3
207.11748	13.5
208.12402	5.9
209.09676	8.8
209.13321	6.6
211.11052	17.5
213.09175	7.9
213.12773	81.3
215.10582	5.0
216.09326	5.9
217.10233	7.5
217.12062	6.9
219.11775	6.9
220.12457	7.4
221.13403	18.4
222.14137	5.6
223.11255	13.8
223.14726	5.5
224.11908	3.9
227.10582	6.6
229.12164	14.3
230.10901	10.7
231.11868	7.1
231.13765	19.8
232.12495	6.6
233.13261	13.4
235.11104	7.2
235.14880	6.4
237.12772	6.0
239.10718	4.2
239.14413	4.8
241.12250	19.1
243.11865	7.5
243.13914	8.5
244.12564	10.1
245.13220	10.4
245.15405	37.0
246.14063	7.6
247.11232	5.6
247.14905	4.5
249.12828	4.9
251.10667	4.9
255.09909	6.3
255.13895	9.9
256.12555	9.8
257.13388	8.3
258.14041	8.2
259.13153	10.8
259.15256	6.5
260.11899	4.6
260.15512	5.3
261.12820	7.7
265.12161	6.5
267.11667	7.4
268.12476	6.1
269.13278	13.3
271.14850	8.2
272.15530	7.3
273.12494	3.9
273.14877	33.1
275.10483	5.3
277.12210	4.6
282.13782	6.1
283.14758	7.7
284.11993	4.8
284.15619	6.4
285.12778	8.6
285.16476	7.1
286.13492	6.6
287.14377	10.4
289.12161	5.6
289.15613	6.0
291.13736	5.0
296.15564	4.0
297.16226	6.7
298.17188	4.7
299.14386	11.7
301.15936	9.3
303.13760	8.2
313.12445	4.7
313.16071	7.2
315.13889	7.2
315.17404	11.4
317.15332	8.1
319.16904	5.9
325.15942	5.9
327.13705	10.6
327.17410	4.7
328.14508	5.7
329.15347	8.1
329.19016	10.2
331.16919	16.5
333.18591	18.7
339.17285	7.7
343.16934	38.4
345.14734	8.1
345.18622	8.3
347.20126	9.8
355.17102	5.0
357.18524	48.0
361.18011	21.0
370.15576	4.3
373.17975	15.6
375.19653	45.3
385.17963	53.3
393.20630	7.2
403.13974	5.2
403.19070	79.1
405.20877	6.1
407.22186	10.9
417.20673	34.5
421.20074	30.8
435.21600	33.2
453.22800	11.3
463.21222	29.6
481.22287	16.4
503.24005	4.8
523.23218	7.0
541.25024	5.9
609.26422	4.4
623.28485	10.8
641.30170	4.1
641.45844	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	641.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.01865	8.1
55.05515	67.8
67.05519	12.0
69.03433	22.0
69.07070	4.3
69.45121	3.9
69.45535	15.3
71.05023	2.6
79.05489	16.4
81.03416	6.5
81.07072	11.6
83.04483	5.3
83.04984	100.0
91.05481	32.9
92.30202	2.4
93.07072	15.3
95.04980	15.4
95.08640	5.7
97.06537	2.8
103.05482	11.5
105.07027	48.3
107.04977	5.2
107.08609	9.2
109.06517	5.0
109.10215	2.9
115.05458	20.6
116.06213	3.2
117.07041	26.9
119.08583	34.7
121.06522	4.5
121.10149	9.0
123.04411	5.1
123.08079	2.3
125.05932	2.9
128.06250	7.6
129.07013	13.6
130.07832	4.5
131.04950	19.1
131.08577	25.6
132.05327	3.9
133.06500	24.2
133.10138	27.8
135.08017	13.9
137.06006	2.9
141.07011	9.4
141.32193	2.5
142.07779	13.2
143.08559	21.4
145.06509	28.1
145.10143	16.1
147.08073	20.7
149.06032	3.1
149.09651	11.6
151.07600	3.2
154.07658	3.4
155.08589	11.7
156.09433	14.3
157.06488	7.1
157.10123	33.3
158.07347	3.8
159.08084	24.6
159.11713	8.7
161.05989	43.2
161.09644	19.9
163.07559	25.2
163.11182	6.5
165.07077	5.1
165.09079	3.3
166.07811	2.9
167.08566	6.0
168.09369	4.4
169.06537	5.5
169.10168	18.2
170.10916	14.1
171.08134	13.9
171.11696	58.3
172.08797	5.2
172.12230	2.9
173.05998	24.8
173.09642	19.2
173.13254	5.7
175.07573	10.8
175.11183	4.8
177.09056	13.1
178.07649	2.8
179.07124	3.3
179.08580	8.3
180.09357	4.9
181.10123	8.0
183.08144	11.6
183.11705	45.8
184.08888	4.9
185.09665	16.9
185.13274	43.3
186.10275	3.1
187.07556	6.2
187.11191	13.7
189.05472	14.0
189.09131	11.5
191.07025	7.1
191.08617	2.4
191.10555	3.9
193.10127	9.0
194.11008	2.4
195.08051	4.7
195.11688	14.6
197.09627	20.6
197.13286	11.3
198.10368	6.9
199.07593	3.3
199.11180	31.6
200.11948	4.8
201.09111	10.0
201.12735	7.7
203.06987	6.2
203.10661	4.6
205.08492	3.7
206.10965	4.3
207.08234	3.2
207.11623	11.3
208.12363	4.2
209.09642	7.8
209.13252	5.6
210.10393	3.4
211.07732	2.7
211.11151	13.2
213.09114	11.0
213.12746	35.8
215.06934	3.2
215.10751	6.0
215.14250	2.6
217.08583	8.1
217.10410	3.7
217.12233	3.9
218.10892	3.7
219.09944	3.2
219.11768	6.5
220.12518	6.0
221.09706	4.1
221.13310	12.1
222.10442	3.1
223.11142	7.3
223.14819	3.5
225.09125	13.5
225.12701	4.9
226.09850	2.6
227.10699	5.7
229.12245	9.3
230.11021	4.3
230.48466	2.5
231.09990	5.5
231.11908	4.0
231.13704	14.6
232.12469	5.7
233.13277	6.2
235.11295	3.5
235.14749	3.4
236.11745	2.9
237.09335	3.1
237.12836	5.1
239.10762	3.2
241.12177	11.3
243.10007	5.0
243.13884	5.8
244.12469	6.3
245.13246	7.9
245.15408	16.2
246.14044	5.4
247.09491	4.7
247.15031	4.7
249.09145	3.0
249.12746	3.4
249.16441	3.7
251.14119	3.7
253.12225	3.5
255.09952	3.9
255.13940	4.6
257.13495	4.1
258.13998	5.0
259.13031	11.3
260.15717	4.6
265.12262	3.6
269.13443	4.5
270.13971	3.5
271.14890	5.5
272.12131	3.2
272.15393	4.8
273.12402	3.5
273.14999	8.8
275.14346	5.1
277.12433	2.9
277.15814	4.1
278.16849	3.2
281.13303	3.2
283.10767	3.4
285.12637	4.6
285.16306	4.7
286.13544	3.9
286.17392	2.9
287.14282	7.7
287.17606	5.6
289.16101	3.0
295.10886	3.2
297.16281	2.8
298.13342	3.0
299.14362	8.6
299.17712	2.8
300.15216	3.5
301.11441	2.4
301.15720	5.1
311.14240	4.9
312.14963	2.8
313.12363	2.9
313.15903	6.8
314.16730	5.9
315.14075	5.3
315.17398	7.2
317.15329	4.8
319.16891	4.8
325.15823	4.6
327.13809	3.2
327.17465	6.9
329.15448	4.0
329.18997	5.6
331.16965	15.5
333.15033	3.0
333.18561	8.4
339.17563	4.1
340.19925	3.5
342.16135	3.3
343.13416	3.1
343.16910	15.9
345.18478	4.6
347.20065	6.2
354.16550	3.0
357.18405	22.0
361.13901	2.8
361.18027	9.1
367.16931	4.4
373.18146	10.3
375.19632	18.3
385.18051	22.1
389.21234	3.6
391.18909	4.8
393.20654	4.1
399.19574	4.9
403.19196	49.7
405.20746	6.9
417.20642	18.0
419.15155	2.8
421.20221	21.1
435.21933	13.6
439.21518	4.2
453.22882	2.8
463.21368	8.6
477.22723	6.6
481.22012	9.5
523.20349	3.9
541.21252	7.9
589.61292	2.4
596.34924	2.4
623.28430	14.9
637.25555	2.7
641.29077	3.5
642.32288	3.6
666.53503	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.4
55.05518	61.2
55.66771	1.6
63.96651	2.1
67.05533	2.4
69.03438	1.9
69.07071	4.2
69.28555	5.9
69.28980	11.0
79.05492	9.1
81.07055	5.8
83.04988	100.0
91.05488	24.2
93.07070	9.9
95.04972	5.3
95.08609	4.6
103.05463	1.7
105.07033	19.2
107.08607	9.9
109.06533	4.6
109.10192	1.8
112.39252	2.0
115.05457	8.0
117.07027	23.4
119.08585	35.4
121.06530	4.0
121.10139	6.4
123.08124	2.2
128.06223	8.2
129.07018	11.0
130.07761	3.3
131.08578	21.3
133.06485	5.3
133.10147	34.2
135.08078	7.1
141.06995	6.2
142.07774	7.3
143.08575	25.1
145.06548	10.3
145.07498	2.3
145.10124	11.3
147.08105	12.4
147.11670	3.3
149.09598	4.3
153.07053	2.8
154.07756	3.6
155.08592	8.4
156.09375	16.7
157.06541	2.8
157.10121	24.1
158.07341	2.4
159.08069	9.9
159.11713	12.7
161.05981	7.7
161.09595	15.9
163.07558	18.9
165.07021	4.4
166.07732	3.1
167.08525	6.7
169.06450	2.4
169.10127	18.4
170.10927	9.9
171.08069	6.9
171.11694	47.0
171.13152	3.2
172.08865	2.9
173.09665	11.5
173.13278	6.3
175.07533	6.9
177.09113	9.9
179.08565	4.6
180.09300	2.4
181.10172	6.4
182.11052	3.2
183.08049	3.4
183.11714	29.0
184.08873	4.4
185.09702	10.1
185.13275	28.1
187.07585	2.9
187.11206	7.2
187.14848	4.5
189.05493	15.6
189.09085	3.5
189.12820	2.3
191.07013	4.3
191.08560	2.4
191.10632	4.6
193.10124	8.4
194.11003	2.7
195.07982	2.1
195.11693	10.0
196.08830	2.9
197.09636	7.4
197.13376	10.1
198.10411	4.3
199.11201	41.0
201.09050	3.1
201.12692	2.7
203.07014	5.8
204.09328	2.0
205.10205	3.2
205.11984	2.0
206.10881	5.2
207.11755	7.6
208.12469	2.4
209.09595	4.9
209.13300	5.7
211.11247	4.3
213.09186	6.3
213.12729	27.8
214.13448	2.0
215.10669	6.1
215.14328	2.5
217.08514	4.0
217.10310	3.3
217.12283	5.0
218.10893	3.7
219.11798	3.7
220.12576	3.3
221.13321	4.6
223.07677	1.9
223.11195	7.6
223.14819	2.4
225.09126	4.8
225.12680	2.3
227.10606	3.6
229.10277	3.1
229.12285	8.0
230.10970	3.9
231.11708	5.9
231.13780	21.8
232.12389	2.6
233.13193	5.5
235.11186	4.6
237.12733	4.4
239.10718	3.2
241.12224	13.0
243.11719	6.0
243.13965	2.0
244.12450	5.9
245.09540	2.8
245.13298	6.0
246.14113	1.9
247.14883	3.4
249.12819	3.8
251.10623	2.6
251.14410	2.7
254.10826	2.6
255.10017	3.6
257.13342	7.3
258.14069	5.4
259.10950	3.4
259.13162	17.9
261.12836	4.1
261.16516	3.7
263.14380	3.4
267.11688	3.3
268.12482	3.6
269.08044	9.3
269.13254	4.0
270.14069	4.0
271.11215	2.9
271.14893	5.2
272.15540	5.2
273.12695	3.7
273.16339	2.2
274.13657	2.0
275.14511	2.9
277.12021	2.7
281.13245	3.3
282.13943	4.0
283.11188	2.8
283.14874	4.5
284.11884	2.2
284.15387	3.5
285.12741	5.5
285.16202	2.4
287.14569	2.0
287.17804	2.1
289.12238	4.1
293.15442	2.5
297.12769	4.4
297.16290	4.5
299.11188	2.1
299.14426	4.7
299.17929	2.9
301.12228	3.8
301.15701	2.2
303.13815	5.3
305.14957	2.0
311.17899	3.3
313.12097	2.5
315.13690	5.5
315.17404	3.2
321.14935	2.9
324.15039	2.7
325.15732	2.0
327.13971	5.4
328.14532	4.7
329.15396	6.7
329.18985	3.7
331.13406	3.0
331.16849	10.4
333.15094	2.1
333.18576	11.2
342.16147	4.6
343.13290	3.2
343.16910	14.3
344.13730	2.9
345.14774	7.6
345.18573	5.8
347.20114	8.1
355.16943	4.5
357.18509	25.5
359.20050	6.1
360.17264	2.4
361.14175	3.0
361.18134	14.3
363.15674	2.5
367.16794	2.3
370.15652	3.6
373.17960	21.9
375.19568	31.9
377.21515	2.5
385.13116	2.2
385.18024	38.8
391.18857	4.2
393.20609	12.7
403.19052	81.1
421.20117	59.2
439.21402	10.0
445.20999	2.6
463.21136	18.1
481.22217	20.8
481.79892	1.9
485.22910	2.4
499.23129	8.3
541.24341	33.5
631.98425	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	641.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44487	3.1
53.03943	4.1
55.01854	10.8
55.05499	11.5
61.34133	3.1
64.29137	3.2
65.93179	3.7
67.05497	4.5
69.03434	52.0
69.07055	5.0
69.20653	36.4
70.88584	3.2
72.65651	3.4
76.36641	3.2
79.05498	15.7
81.07066	8.8
83.01340	4.9
83.04992	17.1
91.05481	42.0
93.07046	19.3
95.04955	13.3
95.08608	5.8
100.76202	4.0
103.05452	5.0
105.07031	60.3
107.04926	9.9
107.08586	12.5
109.06512	8.4
109.10059	4.7
115.05457	18.6
117.07007	37.6
117.88572	3.4
119.04907	4.2
119.08583	36.0
121.06482	5.9
121.10121	5.3
128.06197	8.7
129.06982	20.1
131.08556	26.7
133.06497	19.5
133.10139	32.6
135.08040	15.1
137.05972	6.7
141.06956	8.3
142.07767	14.5
143.08556	25.2
145.06480	38.9
145.10117	28.8
147.08078	21.4
147.11674	5.3
149.05907	4.0
149.09636	11.4
153.07053	8.9
155.08556	17.8
156.09351	19.5
157.06441	7.9
157.10138	45.7
159.08067	21.3
159.11728	9.0
161.05992	37.2
161.09613	24.6
163.07564	25.0
163.11142	10.0
165.07042	12.1
165.09113	7.9
167.08551	7.5
168.09343	7.3
169.06563	3.7
169.10110	30.3
170.07269	4.1
170.10907	19.0
171.08043	15.1
171.11697	90.0
172.08778	4.8
173.05969	31.7
173.09622	27.5
173.13292	6.2
175.07573	6.5
175.11183	4.4
177.09128	13.3
178.07764	5.4
179.08548	6.9
180.09375	6.5
181.10114	15.5
183.08063	13.7
183.11694	100.0
184.08720	6.7
185.09747	19.9
185.13269	83.6
187.07581	6.2
187.11205	10.1
189.05421	8.2
189.07288	3.9
189.09081	19.4
191.07001	8.9
191.10652	4.7
192.09447	4.2
193.10152	12.5
195.08101	4.5
195.11758	21.6
197.09618	17.5
197.13249	20.1
198.10281	4.6
199.11177	39.7
200.12103	3.9
201.09146	5.9
201.12711	10.2
203.08661	5.0
205.10219	4.9
205.12210	4.9
206.10869	5.9
207.11655	16.2
208.12312	5.2
209.09666	12.0
209.13188	8.5
211.11189	27.5
213.09361	8.8
213.12743	81.6
215.10742	7.4
216.09256	4.4
217.10190	7.3
217.11978	3.8
219.11742	5.0
220.12482	5.1
221.13245	14.4
222.13977	10.9
223.11194	13.2
225.12720	6.1
227.10732	5.6
229.10295	4.7
229.12166	6.1
230.10852	6.8
231.11807	7.9
231.13809	7.4
231.18089	4.0
232.12457	4.6
233.13441	7.7
234.14049	8.5
235.11278	5.6
235.14822	8.0
237.12692	7.7
239.10806	5.4
241.12247	12.2
242.10797	4.0
243.11739	4.9
243.13857	19.6
244.12466	9.4
245.13382	7.0
245.15404	38.9
247.11269	6.3
247.14847	5.8
248.11768	4.6
248.15559	4.0
249.12674	7.5
253.10091	4.5
255.13766	9.7
256.12390	10.1
257.13196	11.9
257.15533	5.3
258.13943	8.9
259.14819	11.8
260.11951	4.9
260.15659	5.0
261.12677	7.1
261.16446	4.7
263.14282	7.5
265.15680	3.9
269.09372	3.7
269.13345	5.4
270.14075	4.7
271.11075	4.7
271.14832	5.5
273.12448	4.5
273.14905	27.1
275.14713	4.3
277.15863	8.9
281.13046	5.8
281.15714	5.5
282.13809	5.9
283.11368	5.3
283.14743	6.1
285.12665	11.5
285.16287	8.6
287.14227	8.2
287.17923	7.1
288.15070	4.7
289.12109	6.8
299.14349	15.2
300.15137	9.5
301.15723	7.8
303.13690	5.0
303.17374	3.8
309.12784	4.4
310.13467	7.4
311.14316	5.1
311.17715	4.7
313.15796	12.6
314.16559	5.5
315.17468	17.9
316.14709	4.3
317.15250	9.0
317.18735	4.8
319.16650	6.2
325.15872	8.9
327.17227	14.5
329.19092	11.6
331.16837	36.5
333.18323	12.4
339.17209	8.4
343.16824	31.4
345.18518	6.8
355.16669	4.6
357.18457	41.1
359.16150	5.5
361.17941	15.9
367.16776	4.9
373.17944	13.1
375.19586	24.0
385.17953	30.4
387.19537	6.0
389.21130	8.8
393.20660	4.1
399.19601	10.4
403.19189	36.3
405.20627	19.8
407.22296	5.7
417.20624	49.0
421.19827	7.8
435.21814	42.6
453.22476	8.0
463.21338	5.4
477.22449	15.0
487.23151	13.5
495.23514	7.7
519.25616	11.4
623.28052	10.6
641.45642	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	641.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63737	0.4
55.01868	1.5
55.05513	1.0
57.07080	2.2
57.15795	0.4
61.84695	0.3
66.54158	0.4
67.05502	1.4
69.03432	0.5
70.17389	0.4
71.55269	0.5
71.70235	0.4
79.05489	1.2
81.03419	1.6
81.07043	1.4
83.05009	1.4
91.05490	3.5
93.07048	1.3
95.04958	0.8
96.91489	0.4
103.05446	0.5
105.07021	2.0
107.04942	0.6
107.08590	1.0
109.06537	0.7
115.05466	0.8
115.72665	0.4
117.07018	1.6
119.08597	3.4
121.06582	0.4
125.09580	0.5
129.07034	1.9
131.04938	1.4
131.08560	1.9
133.10138	1.4
135.08031	0.7
135.11710	0.5
142.07773	0.9
143.08588	1.8
145.06505	1.5
145.10144	2.0
147.08051	5.2
147.11691	0.5
149.09593	0.7
155.08517	0.6
156.09409	0.9
157.10144	2.3
159.08089	2.9
159.11711	1.0
161.09636	2.7
163.07584	2.4
163.11243	0.5
169.10144	1.3
170.11003	0.8
171.08092	0.8
171.11678	3.7
173.06046	0.5
173.09648	1.7
175.07550	1.4
175.11168	0.7
179.08566	0.5
183.08061	0.5
183.11737	2.0
185.09641	1.6
185.13307	2.2
185.22765	0.4
187.11223	0.7
192.07744	0.5
195.11761	0.8
199.11266	1.1
201.09067	0.6
207.11708	0.6
209.09631	0.6
209.13359	0.5
213.12744	2.4
221.13344	0.6
223.11159	0.5
231.09956	0.4
231.13847	0.8
234.10429	0.4
243.13947	0.8
245.15411	2.4
255.11732	0.4
273.14987	1.7
284.11923	0.5
287.14499	0.5
297.12717	0.5
299.14276	0.5
301.15970	0.6
311.14389	0.6
315.17462	0.6
327.17542	0.9
329.15451	0.6
340.14249	0.5
341.18921	0.8
345.18475	0.7
357.18539	0.9
359.20398	0.7
369.18631	0.9
375.19708	0.4
387.19632	1.2
389.21237	0.9
391.22791	0.5
401.21170	1.2
403.19022	0.5
404.15808	0.5
419.22333	2.4
429.20493	0.8
447.21585	2.1
453.90173	0.5
465.22665	1.3
470.59753	0.4
479.24081	0.8
493.22021	21.6
494.22092	0.5
539.26257	0.6
543.37109	0.8
591.23029	0.5
623.24396	2.3
641.27216	100.0
642.27643	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	640.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.01871	2.4
55.05519	29.1
55.38559	1.3
57.03449	9.3
57.07073	6.8
65.03938	2.7
67.05509	80.7
67.09166	1.5
69.07072	46.0
69.17916	16.2
71.05005	4.0
79.05502	27.4
81.07062	88.9
83.04987	1.8
83.08622	31.8
85.06551	4.4
91.05486	15.4
93.07056	22.5
95.08614	86.8
97.06524	4.4
97.10184	19.4
98.21520	3.4
99.08089	1.8
105.07047	11.7
107.08602	13.4
109.06532	2.0
109.10158	36.1
111.08102	1.9
111.11727	7.7
119.08584	7.2
121.10159	20.0
123.11713	13.1
125.13227	1.9
131.08548	5.3
133.10172	8.9
135.11708	15.9
137.09636	4.0
137.13278	3.4
145.10100	4.6
147.11694	5.3
149.13263	3.7
151.11211	2.2
151.14862	2.0
153.12665	2.6
159.11691	2.2
161.13254	7.5
175.14877	2.4
179.14294	2.1
179.74678	1.4
191.31889	1.7
217.19572	5.7
235.20561	4.3
241.35933	1.4
243.20940	1.5
261.22125	5.4
279.23285	1.7
304.63776	1.5
327.25327	83.7
328.25876	2.4
335.25809	42.1
353.26816	17.5
424.22244	3.2
438.23718	2.5
448.22263	1.9
452.21152	2.2
464.21674	2.1
466.23578	1.7
476.21588	2.0
520.24432	2.7
552.26898	2.1
587.46533	14.9
605.47760	100.0
606.48334	2.4
622.27020	5.0
640.28357	21.9
641.28577	1.8
641.44305	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	641.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01876	8.7
55.05518	58.4
55.05786	3.6
56.05845	2.1
65.03928	3.2
67.05511	13.9
68.29566	1.6
69.03424	5.4
71.55673	1.5
72.88432	1.3
79.05500	12.6
81.03414	7.4
81.07063	5.1
83.04987	100.0
83.08636	1.3
84.05322	3.9
90.52142	1.4
91.05486	20.3
93.07059	10.2
95.01328	3.2
95.04970	28.8
95.08618	3.6
97.02888	2.5
97.06544	1.9
103.05483	5.8
105.03423	1.9
105.07038	28.4
107.04961	6.6
107.08593	5.0
109.06530	5.7
111.04471	3.1
113.06030	1.4
113.64671	1.6
115.05414	7.4
116.06269	2.2
117.07018	12.2
118.76180	1.4
119.04946	5.4
119.08583	13.3
121.02876	3.2
121.06533	7.9
121.10155	1.9
123.04433	18.7
123.08109	3.0
125.05978	4.5
128.06233	10.3
129.07027	12.1
130.07756	1.5
131.04932	4.9
131.08577	22.3
131.18945	1.4
133.06496	18.7
133.10139	6.2
135.04457	2.0
135.08057	9.7
137.05998	4.3
139.03917	5.1
141.05562	1.5
141.07010	9.3
142.07773	6.1
143.08578	14.9
144.05742	2.8
145.06483	19.3
145.10135	6.6
146.07320	1.6
147.04375	1.9
147.08057	12.9
148.08437	2.5
149.05992	4.5
149.09621	4.2
151.07506	1.8
152.06262	2.2
153.05475	1.9
153.07065	3.7
154.07811	4.6
155.08542	7.1
156.09372	2.9
157.06517	6.3
157.10146	10.5
158.07372	3.6
159.04453	1.8
159.08060	27.5
159.11723	5.1
160.08765	1.6
161.06004	34.6
161.09677	10.3
163.07532	18.6
165.05649	1.8
165.07018	5.0
166.07738	2.6
167.08603	4.2
169.06534	6.0
169.10112	8.0
170.07256	1.9
170.10837	3.3
171.08049	11.9
171.11697	8.1
172.08810	3.0
172.12073	2.4
173.05972	6.5
173.09613	9.8
175.07538	7.8
175.11140	2.1
177.05603	2.1
177.09172	6.2
178.07820	2.7
179.07071	3.8
179.08553	4.6
180.09406	3.3
181.06488	2.3
181.10150	4.0
182.07288	4.3
183.08133	9.8
183.11650	7.1
184.08771	1.7
185.06017	6.6
185.09607	10.9
185.13293	4.1
186.13623	1.9
187.07564	13.5
187.11215	5.6
189.05507	3.4
189.09143	7.1
191.07103	1.7
193.10158	4.7
195.08087	7.1
195.11693	2.9
196.08949	1.8
197.06020	3.2
197.09662	15.9
198.10420	2.6
199.07562	5.7
199.11238	5.9
200.08308	1.8
201.09134	5.1
203.07053	6.4
203.10732	2.2
205.08585	12.9
205.10185	1.7
207.08098	4.7
207.10123	4.1
207.11774	3.2
208.08847	1.7
209.05875	1.6
209.09634	3.8
209.13147	1.4
211.07623	3.6
211.11183	4.1
213.05496	2.0
213.09111	9.2
213.12767	7.0
215.07053	4.9
215.10722	5.4
217.08572	18.6
217.10310	2.0
217.12042	2.1
219.10097	7.0
221.09636	2.4
223.07593	4.0
223.11220	3.8
225.05698	1.9
225.09113	35.7
225.12584	2.3
227.06996	3.0
227.10712	3.0
227.12753	1.8
229.08575	5.3
229.12253	1.7
231.06590	2.6
231.10130	4.6
233.08136	6.5
235.07520	2.4
235.09431	2.2
235.11365	2.8
237.09201	4.1
239.10681	3.9
241.08513	12.1
241.12263	2.6
243.10233	5.7
243.13812	2.0
245.08078	6.3
245.15335	3.5
247.09573	16.9
249.09106	2.2
250.54532	1.6
251.06900	1.8
251.10696	2.6
252.22507	2.0
253.08694	5.1
253.12395	2.9
255.10086	2.8
257.07986	8.6
257.11688	3.1
259.09494	7.8
263.10684	2.3
267.10175	2.3
269.07916	2.0
269.11978	2.2
273.14792	2.5
277.11115	1.9
279.10263	2.7
281.11926	2.7
285.11185	14.8
288.14963	1.8
289.12262	1.9
297.12827	2.1
301.10858	3.3
313.14557	3.5
315.13751	3.2
317.11945	2.9
327.17188	1.6
328.17935	1.8
329.15213	2.2
343.13147	1.9
345.14578	2.1
349.13928	1.6
357.14639	1.9
359.15207	2.9
361.13275	1.7
375.15897	3.6
385.14291	6.3
389.20364	2.2
393.16644	1.9
401.13428	1.8
403.15259	6.9
419.14893	4.0
421.16385	6.1
431.14761	2.8
439.17468	3.5
445.16571	4.3
449.16299	2.5
451.17633	6.8
453.19043	3.1
463.17480	16.8
467.16895	1.6
481.18454	16.8
499.19662	2.1
505.18430	2.5
521.21600	1.7
523.19751	14.7
541.20831	26.6
563.22833	5.5
581.24005	9.6
591.21924	2.0
623.24695	11.5
641.26770	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
55.05516	23.0
57.03441	7.2
57.07078	6.7
65.03926	2.2
67.05508	51.3
69.07075	34.5
71.04991	2.4
71.08636	2.5
79.05062	1.9
79.05493	20.8
81.07063	54.6
83.04971	2.1
83.08624	22.0
85.06569	2.6
85.10155	1.5
91.05495	12.7
93.07047	25.4
95.04937	1.4
95.08613	59.1
97.06520	4.3
97.10177	13.9
99.08075	1.7
103.81393	1.1
105.07013	8.4
107.08604	15.7
108.33868	1.1
109.10165	22.7
111.08088	2.8
111.11736	4.2
117.07003	2.6
119.08599	8.8
121.10154	20.9
123.11738	7.0
125.09597	2.0
129.07062	2.2
131.08553	4.2
133.10138	5.5
135.11697	14.3
137.13268	2.9
139.11145	1.1
145.10193	2.7
147.11700	4.3
149.13251	3.6
151.14830	1.3
153.12738	2.4
155.08539	1.5
159.11819	2.3
160.96182	1.2
161.13271	3.7
163.14784	1.3
167.60623	1.1
175.14774	1.4
181.12398	1.4
193.07582	1.1
211.09013	1.2
217.19577	2.2
232.25539	1.2
232.70113	1.2
235.20779	1.6
261.22183	2.1
268.54700	1.4
279.23233	5.7
313.27310	1.9
327.25323	54.9
349.24020	1.5
353.26874	33.2
462.20264	1.2
507.40649	2.7
529.38959	1.8
567.25842	3.8
577.24280	1.7
587.46387	2.2
605.47870	100.0
606.48053	2.2
609.27142	6.1
622.26788	2.2
623.42981	2.0
640.28961	4.7
641.29620	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	640.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
53.32198	0.7
54.12378	0.7
55.01870	1.3
55.05518	23.1
57.03444	7.4
57.07080	5.3
59.00397	0.7
65.03928	2.1
67.05512	56.4
69.07076	40.9
71.04990	3.0
71.08624	1.8
71.19405	1.4
79.05499	20.1
79.06183	0.8
81.07065	57.6
83.04994	1.5
83.08623	26.7
85.06551	2.7
91.05495	7.8
93.07053	26.0
95.04953	1.0
95.08614	68.3
97.06524	4.7
97.10178	13.4
99.08100	1.9
105.04473	1.0
105.07055	5.9
107.08593	11.6
109.10168	25.3
111.08092	3.2
111.11724	5.3
117.06988	0.9
119.08605	5.9
121.10158	22.5
123.11723	7.8
125.09619	1.6
125.13268	0.8
131.08614	1.4
133.10144	6.5
135.11707	13.2
137.09586	1.3
137.13242	3.0
139.11189	1.4
145.10147	1.1
147.11757	3.9
149.13269	3.7
151.11165	2.0
151.14861	0.7
153.12791	1.8
159.11667	1.0
161.13268	4.7
165.12833	1.9
175.14861	1.8
179.14262	0.9
217.19550	3.1
235.20541	2.5
236.92070	0.7
253.21742	1.2
261.22217	2.3
279.23193	6.1
313.27139	0.7
327.25323	100.0
328.25717	1.4
353.26892	58.9
372.52338	0.8
411.43793	0.9
605.47803	98.8
640.27271	1.9
640.61761	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01885	2.5
55.05516	24.5
57.03445	5.7
57.07079	14.5
62.47218	0.6
65.03925	1.0
67.05508	23.6
67.43769	0.5
69.03422	2.1
69.07075	10.1
71.04993	1.0
71.08637	11.1
71.47179	0.9
79.05499	20.3
81.07063	18.6
83.04992	3.8
83.08147	0.8
83.08624	15.1
85.06520	0.7
85.10184	5.2
91.05484	10.1
91.73322	0.5
93.07050	10.7
95.04950	1.3
95.08610	13.3
97.06536	1.1
97.10177	30.8
105.07039	9.5
107.04948	1.9
107.08604	29.1
109.06506	1.5
109.10168	10.1
111.08060	1.8
116.38186	0.6
117.07012	4.4
119.08590	6.8
121.06497	0.9
121.10176	3.3
123.11716	2.6
125.09640	30.2
131.08580	3.7
133.10135	5.5
135.08067	3.6
135.11699	2.0
137.13216	0.9
139.11218	0.7
143.08565	0.8
143.10707	1.1
145.10133	5.6
147.11693	2.9
149.09619	2.9
153.09113	1.5
157.10138	1.1
159.11719	2.6
161.13280	1.7
161.50221	0.5
163.11140	0.8
169.10127	0.6
171.10216	2.0
171.11577	0.9
173.11728	0.5
173.13214	1.3
183.11636	0.8
185.13220	0.6
189.11221	14.5
191.14218	0.7
203.14163	0.7
227.12794	100.0
229.19507	0.8
239.17989	1.8
249.96286	0.6
257.19016	5.0
275.20074	21.5
312.26089	0.8
313.27383	36.8
327.25464	1.1
331.22729	2.8
349.23770	22.9
483.36877	8.9
493.38263	0.8
506.39240	0.7
507.39508	2.3
569.45526	0.9
587.46674	23.8
605.47565	2.8
638.75140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.5
53.03941	3.0
55.01868	3.1
55.05510	17.0
57.03436	9.7
57.07079	38.5
65.03954	2.1
67.05507	47.0
69.03434	1.3
69.06731	1.7
69.07073	23.7
69.83982	6.2
71.04997	3.5
71.08637	26.3
78.97250	1.1
79.05061	2.2
79.05492	31.6
80.15975	1.2
81.03393	3.6
81.07060	52.0
83.04976	7.1
83.08623	16.1
85.06545	2.5
85.10185	16.1
89.06018	2.5
91.04913	1.3
91.05479	28.3
93.07047	34.9
93.27789	1.1
95.04989	7.3
95.08612	33.7
97.06518	8.6
97.10170	6.2
98.21442	1.2
99.08089	3.1
103.07590	1.6
105.07029	20.7
107.04951	4.2
107.08598	15.7
109.06509	1.9
109.10159	13.5
111.08074	3.1
117.07014	11.6
119.08574	14.4
121.06488	1.8
121.10160	9.2
123.08108	2.3
123.11698	4.9
125.09590	1.7
129.07022	4.0
131.08553	10.8
133.10144	14.0
135.08046	2.2
135.11700	12.1
137.09602	3.0
137.13191	1.2
137.70654	1.2
143.08627	1.5
145.10141	8.5
147.11693	7.0
149.09590	4.8
149.13261	6.7
151.11136	1.4
155.08681	1.2
157.10139	1.8
159.11670	8.1
161.09486	1.4
161.13280	2.3
163.11220	3.6
169.10190	1.7
171.11623	1.9
173.13327	2.5
177.12756	3.0
181.12309	1.4
183.11732	1.8
185.13263	1.3
195.13812	4.2
199.14928	1.8
217.15919	1.8
231.56325	1.3
235.17038	1.9
235.69107	1.1
239.18059	2.7
239.23688	5.9
247.20564	1.7
251.16692	1.2
255.15956	14.2
257.18985	6.7
267.15894	2.2
269.17474	20.0
275.20053	24.1
293.21014	1.3
313.27374	71.0
336.29404	1.1
341.27124	1.1
349.23730	19.1
367.24841	3.4
396.78867	1.2
493.38965	18.2
507.40463	100.0
508.40695	2.5
547.43353	3.3
587.46906	13.1
605.47217	5.2
641.25006	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	640.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42626	2.2
53.03937	3.9
55.01881	20.3
55.05512	24.8
63.58741	2.6
65.55438	2.3
67.05511	4.5
69.03432	5.6
69.63265	18.9
71.40203	2.5
79.05499	12.7
81.03420	12.4
81.07062	6.6
83.04991	37.4
91.05486	32.2
93.07049	15.1
95.01342	2.9
95.04968	8.3
95.08614	8.3
95.40935	3.0
101.06036	3.9
105.07036	24.3
106.27711	2.4
107.04976	8.2
107.08564	7.5
107.97536	2.8
108.24355	2.5
109.06532	5.4
109.13331	2.5
111.47232	2.7
115.03938	2.9
115.05448	11.9
116.06225	3.0
117.07032	22.7
119.08603	33.8
121.06516	6.0
121.10143	3.3
128.06230	11.3
129.07011	20.3
130.07774	5.7
131.08569	25.6
133.06493	4.2
133.10117	37.7
135.08104	6.3
142.07779	7.8
143.08577	21.1
145.06517	19.1
145.10130	22.6
146.07254	3.7
147.08063	100.0
147.11743	3.3
149.09650	11.8
155.08609	9.5
156.09413	13.8
157.10138	38.9
158.07288	4.0
159.08063	36.7
159.11678	15.0
161.06017	3.1
161.09619	42.4
161.13319	3.0
163.07547	34.0
163.11246	5.7
165.06989	3.5
166.07785	3.1
167.08517	3.0
169.10098	15.6
170.10919	9.2
171.08095	8.4
171.11697	70.1
173.06058	5.0
173.09627	24.9
173.13284	8.6
175.07542	17.1
175.11209	8.3
179.08530	4.8
181.10117	4.2
182.07327	3.0
182.10930	3.3
183.11703	34.8
184.12367	3.2
185.09639	11.1
185.13255	50.7
187.11215	7.7
189.09157	3.8
189.12758	4.3
191.52742	3.0
193.10085	3.0
195.11736	9.2
197.09683	8.7
197.13301	13.5
198.10432	4.0
199.11205	19.5
201.09126	10.7
201.12790	10.4
203.10739	4.7
207.11798	3.8
209.13300	5.0
211.11198	9.6
213.09210	4.5
213.12729	46.9
215.10710	6.7
215.14345	5.0
217.12347	4.4
219.11667	3.5
221.13309	5.6
223.11200	7.9
225.12851	7.7
227.10716	6.9
229.12306	4.0
231.13828	10.2
233.15314	5.7
236.12047	2.9
237.12686	6.9
241.12297	22.0
243.13911	11.2
245.13182	4.8
245.15379	37.3
247.14973	4.4
248.11769	3.3
249.12827	3.4
251.14407	4.7
255.13890	16.4
259.13217	16.1
260.12085	3.6
261.12708	3.6
263.14178	3.4
263.16553	7.7
269.13150	4.1
273.12335	5.0
273.14923	39.2
275.14020	4.5
289.16049	4.4
291.15842	5.1
297.12753	7.3
298.13675	4.7
300.15237	3.2
301.15924	5.6
312.15121	7.3
313.15750	7.5
315.17474	7.5
316.14014	2.7
317.19131	6.5
326.16470	4.3
327.17358	20.6
329.15527	4.8
331.20383	5.0
333.18646	3.3
341.19052	12.1
345.18503	10.5
359.20071	18.0
369.18460	8.7
375.19888	3.2
387.19580	23.8
389.21143	8.3
391.18195	3.6
391.22797	12.9
401.21170	34.3
405.20602	5.7
407.22260	12.0
419.22162	59.8
437.23282	15.2
501.26276	6.8
505.25946	7.5
519.27545	5.0
581.20435	10.3
591.29651	16.7
605.31030	6.7
623.31824	14.5
640.27179	4.1
641.21991	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	640.348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20085	3.4
51.32069	3.4
53.03942	4.8
55.01870	20.4
55.05516	34.7
61.62663	3.3
64.19800	3.7
65.22908	3.9
67.05494	11.0
69.03414	16.2
69.07048	3.6
69.86310	17.7
70.06586	4.0
79.05515	19.2
81.03419	12.8
81.07056	8.6
83.04988	51.2
91.05479	34.7
93.05262	3.6
93.07039	12.0
95.04959	13.7
95.08618	6.9
103.05426	6.3
105.07043	23.9
107.04936	7.5
107.08601	11.2
109.06485	7.7
109.98669	3.7
115.05475	12.1
117.07044	26.8
119.08601	35.6
121.06488	3.8
121.10201	4.1
128.06223	9.1
129.06996	32.7
131.08569	26.5
133.06578	4.2
133.10146	34.2
134.10558	4.1
135.08058	8.1
141.06931	6.4
142.07771	12.8
143.08531	20.5
145.06474	19.0
145.10112	25.4
146.07202	4.7
147.08054	100.0
149.09607	16.7
155.08585	6.3
156.09320	11.9
157.10123	48.9
159.08051	41.2
159.11665	27.9
161.09586	43.5
163.07552	70.1
163.11211	6.1
168.09293	4.0
169.10136	16.9
170.10886	10.7
171.07977	8.5
171.11711	54.5
173.05984	6.0
173.09630	28.7
173.13254	12.2
175.07593	19.5
181.10136	8.4
182.10924	8.3
183.08092	6.0
183.11685	46.2
185.09692	20.6
185.13261	49.8
186.13454	4.4
187.11205	12.9
187.14809	5.7
188.32178	4.1
189.09019	6.0
191.07011	6.4
193.10146	5.7
195.11714	11.8
197.09566	7.3
197.13255	16.3
199.11215	20.7
201.09192	5.9
201.12779	7.4
203.10602	5.9
205.12187	7.0
207.11678	9.7
209.13185	7.3
211.11200	7.9
213.12750	46.4
215.10661	7.0
217.12242	8.0
219.06477	4.0
221.13319	4.7
222.10336	4.3
225.12813	6.4
229.12338	9.4
231.13834	14.2
233.15509	4.2
235.11186	4.0
235.14810	5.4
239.10732	5.9
241.12207	23.0
243.13849	12.2
245.15414	30.9
255.13885	21.1
256.26422	6.2
259.13232	19.6
263.16495	8.7
273.12473	4.5
273.14951	31.2
275.14310	5.1
283.14880	8.0
284.02386	4.3
287.14377	5.4
289.16077	5.9
291.15869	8.1
297.12808	9.4
301.15878	7.7
315.17319	6.5
317.18848	9.7
327.17313	11.9
341.18817	11.9
345.18472	12.6
357.18399	6.8
359.20029	15.6
369.18362	7.2
375.19635	4.7
377.21161	4.4
387.19598	24.3
389.21042	7.6
391.22684	10.2
401.21140	29.8
405.20523	6.6
407.22192	10.4
419.22192	59.6
437.23273	24.4
487.24612	5.2
491.24304	6.7
505.25797	16.2
519.27167	5.5
591.29462	28.2
605.31360	8.0
623.32214	7.0
640.34894	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	640.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.1
53.03937	3.5
55.01871	1.6
55.05513	10.9
56.05849	1.0
64.43336	0.8
67.05492	3.3
69.03423	2.6
69.07069	1.7
71.05022	1.0
79.05503	2.6
81.03434	1.2
81.07047	5.4
82.02941	1.4
83.04987	20.1
84.05319	1.8
91.05470	5.8
93.07033	5.6
95.04953	5.5
95.08600	4.2
97.06546	4.3
99.68710	0.8
103.05478	46.8
105.03398	5.2
105.07038	9.0
107.08585	4.7
109.06516	2.9
109.10143	1.1
115.05430	1.8
117.06989	2.3
119.08589	8.4
121.06496	3.7
121.10144	2.5
123.08060	2.8
125.02351	0.7
128.06219	2.3
129.06998	3.3
131.04936	100.0
131.08572	4.8
133.06473	2.6
133.10173	5.7
135.08037	2.8
137.05986	1.4
137.09637	1.5
139.07516	1.3
142.07782	2.4
143.08554	5.8
145.06473	2.7
145.10124	8.8
147.08026	3.5
147.11649	2.1
149.09610	2.9
151.07587	1.0
155.08571	3.5
156.09381	6.1
157.10149	10.5
158.10649	1.2
159.08049	4.1
159.11671	4.7
161.05989	2.5
161.09619	3.5
163.07541	1.7
163.11169	1.6
165.07045	1.4
165.09143	1.3
167.08562	2.1
169.10143	6.9
170.10884	2.6
171.08061	2.0
171.11699	15.8
172.08736	1.1
172.12114	1.5
173.06065	0.8
173.09676	4.6
173.13222	2.8
173.34093	0.8
175.07562	0.7
175.11156	2.9
179.07065	1.5
179.08539	2.5
179.43909	0.7
180.09346	1.6
181.10095	2.7
182.10905	3.3
183.08148	2.1
183.11722	7.8
185.09627	2.4
185.13292	6.2
187.11197	3.4
188.06947	0.8
189.08966	1.5
191.10658	1.0
192.09363	0.9
193.10124	2.5
194.10895	1.5
195.08020	1.7
195.11700	9.2
196.12511	1.1
197.09598	2.6
197.13269	6.9
198.10345	1.3
199.11205	6.6
199.14786	2.4
200.11942	1.8
201.09109	2.5
201.11046	0.8
201.12640	3.8
203.10732	0.9
205.12076	1.1
206.10919	1.0
207.11710	3.2
208.12222	0.9
209.09517	1.1
209.13255	2.5
211.11205	1.7
211.14796	1.9
213.09271	0.8
213.12837	5.6
214.13165	0.8
215.06935	1.1
215.14314	2.5
217.08449	1.3
217.12022	1.6
217.15836	0.9
218.10876	1.3
219.11723	1.8
221.13240	2.2
222.13895	1.0
223.11171	1.0
225.12703	3.1
227.10791	1.3
227.14293	2.2
229.12241	1.9
229.16054	1.0
231.11792	1.6
231.13693	3.9
232.12399	1.5
233.13326	1.2
233.15404	1.1
235.14828	1.8
237.09123	1.0
241.12120	1.7
241.35568	1.0
243.13831	7.0
245.13228	1.5
245.15471	1.9
247.11153	1.5
247.14821	1.7
248.15395	1.4
249.16476	1.3
251.17958	0.9
255.13852	1.1
258.13895	1.6
259.13260	1.9
261.11099	1.0
261.14856	2.1
263.14133	1.0
263.18115	1.8
265.15854	1.6
271.14709	1.1
272.15445	1.2
273.16299	2.3
275.17926	1.6
277.15848	1.0
279.17508	1.2
281.18799	1.0
289.80344	0.9
291.17181	1.5
293.18967	2.5
299.13885	1.2
302.16635	1.1
303.17386	1.9
309.18579	2.3
311.19958	1.3
315.13583	1.0
321.18399	4.4
323.19983	2.3
339.19571	9.4
341.21063	3.6
343.16943	1.3
357.20715	11.0
359.16220	1.4
363.15781	0.9
370.65491	0.9
373.18173	1.3
374.18259	1.1
375.19699	0.9
377.17432	0.9
391.18912	1.3
393.20609	1.1
402.17844	2.2
419.18579	1.6
420.18521	1.4
421.20721	1.0
437.19412	1.4
439.16605	1.2
439.21649	1.7
457.17484	1.3
457.22772	1.6
465.19275	1.1
507.27307	1.6
605.23376	1.5
622.30170	0.9
640.31091	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.05519	19.0
56.05035	1.2
59.07873	0.8
66.92123	0.9
67.05506	1.3
69.03439	4.4
69.07056	2.0
71.56124	1.7
79.05505	4.5
81.07051	3.0
83.04488	1.6
83.04984	29.5
83.05463	1.8
84.04478	1.2
91.05483	7.0
93.07047	4.9
95.04981	2.9
95.08636	2.6
96.04487	2.1
97.06570	1.2
100.03983	1.6
101.02397	1.9
101.71268	0.9
103.05450	1.8
105.03368	1.4
105.07030	7.9
107.08600	3.1
109.06518	1.3
109.10148	1.7
115.05474	2.3
115.87109	0.9
117.07034	6.7
119.04976	0.9
119.08602	8.3
121.06539	1.5
121.10162	2.3
123.08096	1.7
124.03972	1.0
128.06233	2.4
129.07018	2.7
131.04936	1.7
131.08575	4.2
133.06494	3.4
133.10123	4.9
134.09641	1.1
135.08087	2.4
140.03433	1.8
141.06990	1.3
142.04988	1.9
142.07764	1.6
143.08571	4.6
145.06505	4.2
145.10149	4.7
147.08075	4.3
147.11716	1.3
149.09700	1.9
153.06998	0.9
155.08571	2.5
156.09372	3.3
157.06500	1.1
157.10158	7.9
158.07327	1.1
158.10609	1.7
159.08015	2.2
159.11729	2.1
161.05998	2.5
161.09607	4.4
162.09210	1.6
165.07042	1.3
167.08556	1.5
169.10176	4.0
170.10938	1.8
171.11719	8.4
172.08665	1.0
173.09663	5.1
173.13203	0.9
175.07536	1.7
175.11292	1.0
176.10759	1.4
181.10210	2.0
182.10954	1.1
183.08119	1.7
183.11673	7.6
184.12108	2.1
185.09648	2.8
185.13190	4.4
186.13673	1.0
187.11232	1.5
192.09317	1.3
193.10098	2.6
195.07944	1.1
195.11746	2.9
197.09677	2.9
197.13239	4.6
199.11259	4.9
200.11516	1.5
201.12816	1.5
202.08513	2.2
204.10327	1.2
206.10941	1.5
207.11769	3.0
209.09673	1.9
209.13268	1.1
211.11180	2.3
213.09235	1.2
213.12730	6.5
214.12769	0.9
215.10683	1.2
215.14409	1.2
217.10243	1.1
219.08038	1.0
220.12381	1.0
221.13356	1.5
223.11159	1.2
223.14798	1.2
227.10577	1.2
229.10234	1.4
230.10701	1.4
231.11678	1.8
232.12529	1.6
233.13129	1.6
235.14896	2.5
237.12810	2.2
243.11646	1.5
245.13301	1.5
245.15543	2.0
246.13940	1.7
247.14903	2.0
248.15369	1.0
249.12837	1.0
249.16643	1.0
258.13980	1.4
259.14984	1.9
261.16437	2.0
263.14413	1.0
273.12711	1.8
273.16373	1.3
275.14420	1.1
275.17969	1.0
283.15033	1.0
285.16296	1.1
287.14233	1.1
289.15952	1.0
291.17389	1.4
299.14151	1.4
300.14780	1.5
303.17551	1.1
314.16531	1.4
315.17401	1.0
327.13538	1.6
331.16983	1.1
341.15393	1.2
343.16937	1.4
344.17261	1.0
345.18866	1.1
359.20242	1.0
374.17929	1.1
380.85562	0.9
385.18082	1.6
404.18826	1.7
419.18707	1.1
434.23044	1.4
444.21835	5.5
450.22781	1.3
457.22528	1.1
462.22757	7.7
480.23730	7.3
498.24872	1.3
522.24683	2.0
540.25739	9.1
580.29291	3.5
640.31165	100.0
641.31396	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01859	0.3
55.05494	0.4
56.96548	0.4
57.03433	0.6
61.02922	0.5
67.05515	0.3
68.05016	0.2
69.03439	2.2
69.07065	0.3
71.54692	0.2
73.02920	0.6
79.05498	2.9
80.05016	0.3
80.56760	0.2
81.03412	0.7
81.05798	1.8
81.07061	3.0
82.02905	0.3
85.02907	5.3
86.06059	0.3
86.09691	0.8
87.04465	0.6
87.16686	0.2
91.03945	0.4
91.55533	0.2
93.07061	0.4
94.06572	0.4
94.47372	0.2
95.04950	0.4
96.04497	0.9
96.08131	5.3
97.02890	1.7
97.06535	1.7
98.06036	0.3
98.97588	0.9
99.04462	0.5
101.10935	0.2
103.05479	0.5
106.06542	0.5
107.04995	0.2
109.02872	0.6
110.97569	0.5
112.07610	0.8
116.98658	0.4
120.08109	6.2
122.06034	0.3
124.07596	100.0
125.07891	0.4
125.17847	0.3
127.03909	1.6
127.07554	0.5
135.04417	0.2
137.05984	0.7
142.08641	19.8
143.01949	0.2
145.02873	0.3
145.04970	0.9
147.04427	0.4
149.06010	0.3
150.71767	0.2
157.08601	2.2
158.99706	0.7
159.03183	0.2
161.01216	0.2
163.03897	0.5
166.08672	3.2
167.07076	0.3
170.99585	0.2
175.09702	0.7
177.05484	0.9
177.32045	0.2
181.04897	0.4
197.08136	0.4
201.00531	0.2
213.05704	0.2
219.01793	0.9
227.09332	0.3
231.05424	0.8
233.69254	0.2
237.02837	0.8
259.06329	0.2
269.07864	0.5
304.13919	16.8
356.12088	0.3
375.09698	0.7
464.65167	0.2
472.15225	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38275	0.6
53.03949	6.0
55.01877	6.1
55.05510	3.1
57.03429	2.4
60.04521	1.0
61.02926	3.5
66.34487	0.7
67.05522	3.5
68.99783	2.2
69.03082	1.1
69.03433	18.5
69.07067	1.5
70.06602	1.7
71.04987	3.6
73.02939	3.6
73.03264	0.6
78.04734	0.8
79.05500	5.6
81.03427	17.2
81.07063	6.9
83.04986	2.9
83.08627	1.4
85.02911	37.1
87.00835	17.4
87.04432	1.3
91.05489	5.0
93.07037	2.6
94.04182	1.7
95.04981	3.4
95.08614	6.3
97.02902	15.1
97.03508	0.9
97.06549	1.0
98.06059	0.9
99.04465	8.4
100.07642	1.1
103.05470	7.9
105.01871	10.5
105.07029	5.8
107.04946	6.1
107.08607	4.6
108.04478	2.1
109.02892	17.0
109.06510	1.7
109.10157	3.7
111.04443	1.5
115.03967	1.2
115.05429	1.1
117.01845	2.4
117.03385	0.8
117.07009	1.9
119.04940	1.0
119.08577	3.7
121.06509	2.0
121.10146	2.9
122.03661	4.3
123.04433	1.6
123.08051	1.8
123.11703	1.3
124.05226	1.3
125.05980	1.5
126.05514	1.5
127.03932	26.6
127.07497	0.8
129.01848	2.3
129.06975	2.1
131.04942	16.4
131.08585	2.7
133.06494	7.0
133.10141	1.9
135.08060	6.7
135.11713	1.4
137.05984	100.0
137.13242	1.0
143.08578	1.9
145.02832	1.0
145.04964	10.6
145.06483	1.0
145.10178	1.5
147.02887	1.5
147.04424	1.5
147.08028	2.2
147.11668	0.8
148.07573	0.8
149.05963	1.5
149.13272	1.0
151.07523	9.0
153.05484	1.5
153.06963	0.6
155.08533	0.9
157.06502	1.5
157.10127	1.6
159.02921	8.8
159.08008	1.9
159.11752	1.1
161.06017	4.1
161.09651	1.1
163.07550	39.3
165.09097	2.0
167.07047	51.6
169.10208	0.8
171.08017	1.1
171.11685	1.3
173.09637	1.0
175.07581	4.3
177.04086	0.7
177.05469	3.7
177.09094	1.6
179.07045	2.9
181.08624	2.1
183.11717	1.5
184.07387	1.3
187.07570	4.2
189.09149	3.6
193.08647	5.1
197.09613	1.0
199.11229	1.3
201.09123	1.6
202.10347	0.7
203.10724	1.5
205.08553	1.7
207.10107	1.6
209.13297	0.9
211.09612	0.8
213.03964	1.0
216.51297	0.7
217.08694	1.0
219.10152	4.6
229.08667	1.4
231.04987	5.0
233.09721	0.9
233.11766	1.7
237.11185	1.1
248.07571	0.7
261.09125	1.5
265.12146	0.9
266.08746	1.2
293.11783	2.3
303.04996	1.3
303.23279	2.5
307.20438	0.7
321.24240	7.7
325.14417	9.9
339.25287	2.1
346.50229	0.7
357.16989	35.1
375.18045	76.3
376.18185	1.5
385.16296	1.0
399.18402	4.2
403.19067	0.8
421.19888	1.1
423.18076	1.3
441.19153	1.9
465.19305	4.3
483.20160	2.2
640.32867	3.3
641.69690	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.4
55.01885	0.6
55.05509	2.9
55.63903	0.3
57.07064	1.1
58.06341	0.5
58.06605	5.8
67.05497	1.3
69.07056	1.1
70.06607	0.5
70.99063	0.4
70.99407	0.6
72.08159	11.5
73.06555	1.3
79.05492	1.8
81.07057	2.3
82.39182	0.3
83.04987	3.1
84.08170	0.6
85.08934	0.5
86.09710	21.5
91.05485	2.0
93.07034	2.0
95.04984	0.5
95.08603	1.1
97.10194	0.6
98.06061	0.6
100.11261	100.0
101.06018	3.0
105.07024	1.7
107.04961	0.6
107.08598	1.1
109.06548	0.4
109.10148	0.6
117.07021	0.9
119.08598	0.9
121.10134	0.6
122.85300	0.3
128.06201	0.4
128.10757	0.6
129.07008	0.4
131.08566	1.5
131.19125	0.3
131.24486	0.3
133.10158	0.8
135.08058	0.4
140.14368	3.3
141.06984	0.5
143.08492	0.6
145.10146	0.7
146.11783	2.4
147.08078	1.3
149.09627	0.4
154.12256	2.1
154.15918	0.5
157.10155	1.1
159.08125	0.7
159.11697	0.7
161.09621	0.7
171.11728	1.0
172.13335	3.0
178.04980	0.4
179.06792	0.3
183.11719	0.7
185.13240	0.8
200.16502	1.2
211.14565	0.4
213.12875	0.6
214.14415	1.0
225.13846	0.4
228.15970	7.3
239.11896	0.7
240.12639	0.7
245.15471	0.6
245.18764	0.5
249.19582	0.5
253.13470	0.3
257.18942	0.3
273.18552	0.6
275.20102	0.9
285.21713	5.6
291.19659	0.5
295.20242	0.3
299.23315	8.6
309.21823	0.5
311.14609	0.4
313.21451	0.5
327.22794	12.1
395.25391	1.2
419.22842	0.4
427.28088	0.5
440.31158	3.2
458.32339	6.0
461.23035	0.4
475.21561	0.5
484.33908	0.9
512.33453	0.8
526.34875	1.2
536.23004	0.4
540.36591	0.4
547.23254	0.6
561.25134	1.7
575.22723	0.5
579.26019	2.1
589.24084	0.6
596.25848	0.5
597.26984	0.7
607.25500	3.8
611.43805	34.5
612.43787	1.0
621.26794	2.1
621.41827	0.5
633.30701	0.4
639.27930	4.7
639.43121	17.6
640.28833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.2
59.05003	2.4
67.05511	0.4
69.07061	0.3
69.22493	0.5
69.22897	1.6
79.05498	0.4
81.07069	0.4
86.23253	0.2
91.05485	0.4
93.07068	0.3
95.08619	0.2
97.70007	0.2
107.92181	0.2
120.08019	0.2
121.10162	0.3
124.71565	0.2
137.26752	0.2
225.10249	0.3
376.17099	0.2
377.17661	0.6
389.18030	0.5
390.18668	0.8
391.19299	1.8
392.20117	0.9
393.21078	0.5
396.40234	0.2
403.19315	0.8
404.20078	0.8
405.16965	1.0
405.21539	2.1
406.21881	1.1
407.22446	3.0
417.16269	0.3
417.21738	1.0
418.17365	0.4
418.22168	0.4
419.18585	2.1
419.22614	2.1
420.18701	0.5
420.24042	1.3
421.19543	0.9
421.24881	0.4
431.17990	1.6
431.23804	0.3
432.19681	0.9
433.19751	3.6
433.24954	0.8
434.20377	3.0
434.25922	0.6
435.21790	5.3
441.28513	0.2
445.19995	2.1
446.20883	1.5
447.22177	3.6
448.22656	0.9
449.23361	0.9
452.22330	0.8
459.22018	0.8
460.22653	3.4
461.23703	3.8
462.19717	1.6
463.21109	2.2
464.21933	0.3
465.27203	0.4
473.23929	0.3
475.20996	1.2
476.22150	0.8
477.22772	2.5
478.23682	1.2
479.24896	1.9
489.22443	0.4
491.25067	1.6
492.25357	3.6
493.26413	3.0
503.24631	0.4
505.22818	0.7
505.26245	1.0
506.22522	0.3
515.22693	0.3
518.22919	0.3
519.27429	0.3
521.25702	9.7
524.28101	0.6
533.25385	0.7
535.28485	0.4
536.24121	2.3
537.24902	1.3
547.27209	5.4
548.28027	1.1
549.24762	2.7
551.25616	0.9
552.27313	0.7
561.25421	0.4
563.26355	0.3
564.27814	0.3
565.27606	0.3
575.26666	0.5
579.29755	16.7
580.29669	0.6
581.27728	2.3
589.23694	0.3
593.27625	0.4
607.29230	5.2
608.29834	0.6
609.27466	0.9
610.27539	0.4
611.32245	0.3
621.27081	0.7
622.27917	5.2
639.31812	100.0
640.32068	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	639.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01886	8.1
55.05514	60.3
63.04068	1.6
65.03961	1.8
66.62319	1.4
67.05504	4.6
67.65834	1.6
69.03431	3.9
69.07057	4.1
69.24260	10.3
69.24673	2.9
78.30730	1.2
79.05512	7.2
81.02966	1.2
81.03403	7.2
81.07052	4.0
83.04987	100.0
90.00323	1.4
90.63370	1.7
91.05488	17.2
93.07037	5.4
93.80904	1.4
95.05002	7.0
95.05487	1.3
95.08617	4.0
97.06538	1.7
103.05482	3.2
103.70838	1.6
104.13651	1.4
105.07028	13.3
107.04955	5.1
107.08589	5.3
109.06542	2.8
109.72481	1.4
115.05505	6.9
116.06234	1.9
117.07026	13.1
119.08593	20.8
121.06494	2.9
121.10139	3.6
123.08070	2.0
128.06235	6.0
129.07005	14.3
130.07794	2.9
131.04935	1.7
131.08571	13.9
133.06505	1.9
133.10146	14.8
135.08058	2.2
141.07040	4.4
142.07764	7.9
143.08568	15.4
145.06485	13.4
145.10110	13.0
147.08051	51.7
149.09625	4.4
151.07619	1.4
154.07767	2.0
155.08536	7.0
156.09351	9.3
157.06470	1.5
157.10138	18.1
158.07294	3.6
159.08054	28.0
159.11687	4.5
161.09639	30.8
163.07556	4.8
163.11209	3.3
165.07170	1.5
166.07788	1.7
167.08582	2.1
168.09299	2.2
169.10112	9.9
170.10889	4.7
171.08052	9.3
171.11697	34.6
172.08820	2.2
173.05989	2.8
173.09683	14.8
173.13252	2.1
175.07585	12.0
175.11130	3.4
179.08534	2.3
181.10141	5.7
182.10919	3.5
183.08167	4.1
183.11708	20.3
185.09651	10.8
185.13275	31.4
187.07590	2.5
187.11168	4.8
187.14890	2.3
189.09062	1.8
193.10126	4.0
194.10951	1.6
195.07951	3.2
195.11673	7.8
197.09628	7.0
197.13269	7.6
199.11180	14.9
201.09021	1.7
201.10768	1.5
201.12756	2.6
203.10742	1.4
205.10201	2.3
205.12096	1.6
206.10846	2.9
207.11664	4.9
209.09581	2.5
209.13272	3.6
211.11226	6.4
213.09271	2.8
213.12740	28.7
215.10634	3.4
217.10234	1.7
219.08076	1.5
219.11783	3.8
221.09587	1.7
221.13277	4.7
223.11191	3.5
223.14792	2.4
225.12614	2.4
227.10646	2.5
229.12161	4.2
231.11884	2.8
231.13869	3.8
232.12473	2.8
233.13379	2.6
235.11258	2.2
235.14778	3.1
237.12764	3.9
239.10661	2.3
241.12276	5.3
243.11670	3.4
243.13799	3.5
244.12437	2.3
245.13184	2.7
245.15424	25.7
247.10980	2.4
247.15007	1.9
249.12891	1.8
249.16446	2.2
251.14388	2.1
255.13878	5.0
256.12476	1.5
257.13354	2.5
258.14136	2.1
259.13025	6.9
261.12796	3.2
269.13208	2.5
270.10571	1.5
271.11011	3.3
273.12738	1.6
273.14890	15.3
275.14221	3.4
277.15915	1.9
283.11221	1.9
283.14655	2.2
285.12680	3.6
286.13501	3.2
287.14474	3.2
289.15771	3.5
297.12717	5.2
298.13358	2.4
299.10764	2.0
299.14206	2.7
300.15210	2.3
301.15900	5.0
310.13351	1.8
311.14166	3.9
312.15048	2.7
313.12222	2.4
313.15753	3.5
315.17413	6.1
317.15634	1.7
317.19092	4.4
326.16638	4.1
327.13876	2.8
327.17432	8.6
329.15259	5.1
329.18985	3.5
331.20560	2.8
335.20203	2.1
341.19128	8.7
345.18381	9.1
349.18338	1.6
357.18372	8.3
359.20020	6.6
361.18091	2.1
369.18567	14.6
375.23218	7.8
387.19531	14.7
389.21225	8.8
391.22699	7.5
393.24243	7.6
401.21191	13.3
411.21814	1.7
419.22229	27.6
437.23233	4.1
442.90894	1.6
447.21716	4.5
453.26505	4.7
461.23169	2.6
479.24380	11.7
539.26379	6.6
597.25812	1.7
607.28442	2.5
621.30676	8.9
639.31006	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	639.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29055	1.2
51.71231	0.9
53.03936	4.1
54.09109	0.9
55.01875	12.1
55.05513	50.0
57.28509	1.1
67.05505	3.2
69.03441	1.6
69.07047	2.1
75.63454	1.0
79.05492	5.2
80.37598	0.9
81.03431	6.6
81.07061	2.1
83.04984	100.0
91.05477	17.7
93.07024	4.6
95.04979	5.6
95.08603	2.1
103.05466	1.5
105.07041	10.8
107.04944	3.7
107.08589	2.9
109.06489	2.1
109.42435	1.3
115.03896	1.5
115.05471	6.5
116.06242	1.8
117.06311	1.4
117.07028	11.7
119.04958	1.2
119.08580	17.0
121.06478	1.7
121.10109	2.0
128.06230	6.3
129.07013	13.0
130.07794	1.2
131.04915	2.3
131.08575	15.2
133.06523	1.4
133.10146	13.6
135.08054	1.6
141.06978	3.9
142.07797	7.0
143.08572	13.9
144.05655	0.9
145.06477	11.9
145.10118	10.0
146.07324	1.2
147.08052	48.1
147.09221	2.4
147.11676	1.3
149.09612	3.3
153.06984	1.3
153.76575	1.1
155.06073	1.5
155.08548	6.9
156.09341	9.8
157.06519	1.6
157.10136	21.3
158.07257	1.9
159.08066	32.6
159.11661	4.2
161.09628	33.9
163.07527	4.5
163.11221	3.4
165.06918	2.0
165.09169	1.6
166.07745	1.6
167.08551	4.6
168.09259	2.0
169.06554	1.5
169.10121	10.1
170.10939	6.3
171.08069	7.2
171.10260	2.3
171.11694	34.4
173.05989	3.6
173.09622	17.1
173.13231	2.2
175.07576	12.7
175.11195	3.3
179.08508	1.6
181.10091	4.5
182.07335	1.2
182.10913	1.8
183.08064	2.9
183.11679	16.9
184.08833	2.9
185.09660	15.1
185.13264	27.0
187.07552	1.4
187.11220	5.7
189.09102	3.8
191.10623	1.2
193.10135	3.8
195.11740	6.9
197.09627	6.1
197.13284	4.7
198.10367	2.8
199.11209	15.8
201.12811	1.9
203.10670	1.5
205.10310	2.1
205.12167	2.2
206.10936	1.4
207.11635	3.6
209.09601	2.1
209.13341	2.4
211.11082	5.4
213.09174	2.9
213.12735	29.4
215.10681	4.3
217.10086	1.7
217.12152	2.3
218.10858	1.6
219.11714	1.9
220.12579	1.8
221.13228	1.5
223.11147	4.6
223.14842	1.9
225.12698	2.2
227.10667	2.7
229.10188	2.1
229.12270	4.5
230.10870	1.4
231.09993	2.6
231.11928	1.7
231.13809	3.6
233.09531	2.9
233.11462	1.3
233.13435	1.8
234.14029	1.2
235.11163	2.5
235.14882	1.7
237.12819	2.7
239.10820	1.4
241.12248	6.0
242.10806	1.3
243.11627	2.4
243.13843	4.6
244.12453	2.5
245.09627	1.7
245.13277	2.0
245.15388	24.5
246.10376	1.4
247.11107	2.9
247.14871	2.3
249.12717	2.7
251.14400	1.8
253.10048	1.3
253.12256	1.3
255.13786	4.5
256.12335	1.5
257.13287	1.5
258.10342	1.2
258.14093	2.4
259.10931	2.5
259.13074	8.6
261.12698	3.9
263.10461	1.6
263.14258	1.6
268.12488	2.1
269.13214	2.9
270.10461	1.6
270.13861	2.3
271.11063	2.2
271.14871	1.6
272.11917	3.2
273.14877	21.2
274.13312	1.4
275.14355	3.2
276.11325	1.3
283.11130	2.8
283.14719	3.1
284.11856	1.4
284.15543	1.9
285.12650	4.5
285.16211	1.7
286.13373	3.1
287.14371	5.4
288.14984	1.3
289.12195	1.2
289.15768	1.6
291.13675	1.5
291.17111	1.3
294.13876	1.6
296.11819	1.4
297.12726	5.6
297.15988	1.7
298.13284	1.5
299.11182	1.2
299.14243	5.2
299.17645	1.5
300.15012	3.1
301.15961	6.7
303.13885	2.3
303.17352	3.9
311.14273	4.6
312.15045	3.4
313.12375	2.3
313.15878	4.4
313.19272	1.2
314.13150	1.5
314.16656	2.4
315.14078	1.2
315.17404	5.3
317.19110	5.8
326.16519	2.9
327.13846	1.9
327.17386	12.0
328.14465	2.5
328.18228	1.7
329.15289	5.1
329.19046	4.9
331.20599	3.0
333.17023	1.7
340.14566	1.6
341.19080	10.6
345.18344	6.7
346.18951	1.3
354.16287	1.5
357.18585	9.3
359.20065	8.6
361.17908	4.2
369.18488	11.7
377.21082	1.4
387.19516	17.0
389.21094	7.8
391.22675	8.4
401.21109	19.3
405.20404	2.1
411.21710	1.9
419.22177	29.6
437.23108	5.3
447.21426	4.4
461.22952	3.0
479.24207	14.2
501.26050	1.8
507.23441	1.8
521.24921	1.4
539.26508	10.9
607.29059	2.0
621.30200	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	639.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07692	1.9
52.62337	1.7
53.03946	2.6
54.54797	1.8
55.01874	11.0
55.05518	54.6
59.55623	1.8
64.81421	1.7
67.05491	3.3
69.03423	2.7
69.07059	2.5
71.73724	2.0
74.99123	1.9
79.05492	4.3
81.03411	4.8
83.04987	100.0
91.05489	21.2
93.07028	3.9
95.04981	5.1
103.05453	2.5
105.07031	14.3
106.87602	1.9
107.04967	2.8
107.08602	4.1
109.06523	2.7
111.64258	1.8
115.05459	7.6
116.06232	2.8
117.07002	12.1
119.04922	2.2
119.08600	15.1
121.06511	2.0
121.10151	2.1
128.06194	4.0
129.07022	14.9
130.07796	3.1
131.08582	18.2
133.10144	11.0
135.08113	3.5
137.09639	2.0
139.98547	1.8
141.06984	3.7
142.06758	2.0
142.07782	7.7
143.08568	12.6
145.06496	10.1
145.10109	13.3
146.07118	2.1
147.08051	42.7
149.09650	3.7
155.08528	6.0
156.09355	11.7
157.06538	2.2
157.10152	21.4
158.07240	2.6
159.08054	24.5
159.11691	4.2
159.98676	1.8
161.09630	29.1
163.07529	4.5
165.07054	2.7
166.07848	2.5
167.08524	2.4
168.09430	2.5
169.10185	9.6
170.10895	7.7
171.08038	5.6
171.11707	38.0
173.05962	3.9
173.09660	17.6
173.13176	3.0
175.07579	12.3
175.11157	3.3
179.08685	3.0
179.10620	2.5
181.10144	4.8
183.08113	4.4
183.11713	16.8
184.08867	3.3
185.09694	12.0
185.13277	26.7
187.11145	4.5
189.09099	4.3
193.10103	4.7
194.63908	2.0
195.11713	9.5
196.08772	2.1
197.09593	3.4
197.13289	3.0
198.10480	3.2
199.11217	14.3
201.12677	3.6
207.11667	4.9
209.09712	2.8
209.13263	3.0
211.11263	4.3
213.09221	4.2
213.12740	25.1
215.10727	4.1
217.10150	4.0
223.11142	2.4
225.12868	2.0
229.12167	3.7
233.13350	2.7
237.12726	3.5
239.10721	2.8
241.12225	5.8
243.11639	3.3
243.13771	4.4
245.13351	2.0
245.15411	22.6
247.11024	2.9
247.14967	2.9
254.10915	2.5
255.13799	4.1
257.13229	2.7
259.13330	4.4
260.11990	3.3
261.12799	5.3
269.13199	3.6
271.11084	3.6
271.14743	3.4
272.12054	1.7
273.12375	3.6
273.14941	16.2
275.14255	4.9
277.15714	2.3
283.11243	3.2
283.14890	3.0
284.15488	2.2
285.12643	4.9
286.13831	3.2
287.14233	6.0
297.12787	5.6
299.14194	5.2
301.15933	4.7
303.17288	2.7
311.14334	5.7
312.15079	4.8
313.15909	4.5
315.13779	2.3
315.17606	3.1
317.18973	6.7
326.16656	2.3
327.17392	8.5
328.14417	2.6
329.15320	5.4
329.18958	2.9
331.20685	3.9
335.33047	2.1
341.15271	2.8
341.18893	9.0
342.15842	2.1
345.18494	8.1
354.16202	4.4
357.18341	5.9
359.19974	8.1
361.17926	2.8
369.18457	7.5
387.19632	13.4
389.20969	7.5
391.22711	6.7
401.21042	15.6
419.22260	17.1
437.23093	4.6
447.21625	2.6
461.23300	2.0
479.24182	7.2
539.26129	4.7
637.54462	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.8
53.03947	3.0
55.01880	11.2
55.05517	52.4
59.05001	0.7
60.63892	0.7
65.03950	1.1
66.73165	0.7
67.05508	5.4
69.03434	3.0
69.07060	2.3
70.06604	0.9
79.05510	5.8
81.03424	6.3
81.07050	3.7
83.04990	100.0
85.06571	0.8
91.05488	19.9
93.07058	5.8
94.78199	1.0
95.04969	6.4
95.08598	2.2
97.06513	1.0
103.05482	2.2
105.04545	1.3
105.07041	13.2
107.04943	2.9
107.08598	3.8
109.06535	2.5
115.05457	7.7
116.06244	1.5
117.07019	11.2
119.04993	0.9
119.08602	17.9
121.06503	2.5
121.10180	1.8
128.06227	6.6
129.07021	14.5
130.07796	2.2
131.04942	2.1
131.08571	12.4
132.05750	1.7
133.06503	2.8
133.10138	12.6
135.08046	2.2
138.49486	0.8
141.07037	4.1
142.07813	7.5
143.08574	14.7
144.05739	1.5
145.06493	14.3
145.10147	13.6
146.07172	1.1
147.08064	43.8
149.09662	4.3
153.07014	1.4
154.07770	1.5
155.06027	1.1
155.08553	5.7
156.09354	9.4
157.06575	1.5
157.10141	20.3
158.07321	2.1
159.08061	30.0
159.11725	4.2
161.09639	29.9
163.07536	4.1
163.11249	3.7
165.07004	3.5
165.09186	1.5
166.07857	1.0
167.08566	3.1
168.09369	2.2
169.06418	0.8
169.10147	11.0
170.10950	6.1
171.08087	8.9
171.11705	37.7
172.08867	1.9
173.06010	3.3
173.09641	15.2
173.13339	1.2
175.07574	10.7
175.11174	2.5
177.72153	0.8
178.07828	1.3
179.08588	2.1
180.09300	1.3
181.06578	0.9
181.10172	3.7
182.10965	1.4
183.08095	2.5
183.11726	17.4
184.08876	3.0
185.09656	12.9
185.13268	25.5
187.07675	1.2
187.11221	5.4
188.50941	0.9
189.09114	3.1
191.10651	1.6
192.09375	1.6
193.10184	2.3
194.10982	1.0
195.08070	1.6
195.11774	4.9
196.08908	1.1
197.09625	6.3
197.11252	0.9
197.13243	5.1
198.10435	1.6
199.07671	0.9
199.11188	14.2
200.12047	1.3
201.09192	2.1
201.12794	1.4
203.10814	1.5
203.14319	1.0
204.09500	1.0
205.10280	1.4
205.12296	2.3
206.10925	1.7
207.08223	0.9
207.11710	3.6
208.12563	0.9
209.09615	2.9
209.13335	2.9
211.11139	3.7
213.09178	2.4
213.12750	30.0
215.08652	1.6
215.10663	2.5
216.09351	1.3
217.10326	1.3
217.12267	2.7
218.10904	1.2
219.11757	2.4
220.12460	2.0
221.09653	1.8
221.13316	3.9
222.10454	1.2
223.11128	5.0
223.14825	1.5
225.09030	1.3
225.12767	2.2
227.10661	2.2
229.10115	2.4
229.12270	4.5
230.10881	2.6
231.09946	1.8
231.11748	2.6
231.13515	4.4
233.09637	1.5
233.13370	2.9
234.14034	1.5
235.11229	2.7
235.14838	2.2
237.12779	3.3
239.10629	1.8
241.12209	5.9
242.10835	1.1
243.11699	2.3
243.13831	4.4
244.12456	2.4
245.09671	1.3
245.13281	2.3
245.15404	21.2
246.10451	1.5
246.14047	1.7
247.11223	2.7
247.14908	1.8
248.11974	1.2
249.12793	1.9
249.16389	1.2
251.14394	1.8
253.10112	2.2
255.11633	1.6
255.13904	4.0
256.12439	1.4
257.09579	1.3
257.13477	1.9
258.10196	1.2
258.14063	2.3
259.10995	1.5
259.13055	6.5
260.12012	2.1
261.12689	4.7
261.15332	0.9
262.13553	1.3
263.14325	1.9
265.12393	0.8
265.16089	1.4
267.11584	1.6
268.12524	2.3
269.13202	3.1
270.11032	1.0
270.14133	2.5
271.11224	2.5
271.14749	2.6
272.11847	1.2
273.12729	2.0
273.14926	18.3
274.13486	1.6
275.14359	3.4
277.12164	0.9
277.15793	0.9
279.13873	1.0
281.12750	1.2
282.10449	0.9
283.11096	2.0
283.14645	3.3
284.12122	2.4
284.15732	2.1
285.12738	4.5
285.16061	1.4
286.13562	2.5
287.14371	4.6
287.17590	1.0
288.14917	1.6
289.12390	1.5
289.15738	2.3
291.13522	1.0
294.13721	1.1
296.11887	1.8
297.12686	5.1
297.15799	1.0
298.13623	1.5
298.17084	1.3
299.11063	1.2
299.14349	4.2
299.17639	1.4
300.15048	2.1
301.12558	1.4
301.15817	5.9
302.16638	1.0
303.13702	1.9
303.17273	1.5
311.14203	5.7
312.11792	1.2
312.15112	3.6
313.12296	1.4
313.15897	4.3
313.19446	1.3
314.13120	1.5
314.16672	1.7
315.13785	1.9
315.17459	6.3
317.15503	1.5
317.19083	5.9
325.12332	1.7
325.15930	2.2
326.16708	3.7
327.13782	2.0
327.17456	10.2
328.18216	1.5
329.15372	5.7
329.19150	2.7
330.16113	1.0
331.16901	2.7
331.20670	2.3
333.17105	2.3
339.13757	2.0
340.14539	1.2
341.19012	10.3
342.16138	1.1
343.16977	1.9
344.17877	0.9
345.18433	6.6
347.16177	1.0
354.16406	1.5
357.18463	7.0
359.20157	10.4
361.17935	2.5
369.18591	10.6
375.19687	0.9
377.21097	1.9
387.19580	14.7
389.21167	7.7
391.22668	9.9
401.21176	17.0
405.20590	1.6
411.21921	1.0
419.22174	26.5
437.23404	4.3
441.24063	0.8
447.21707	2.8
461.23038	3.0
465.22540	1.1
474.64026	0.8
479.24338	12.6
497.25122	0.9
501.26370	1.4
507.23935	1.5
525.25098	0.9
539.26581	6.3
561.28162	1.0
607.28406	2.5
614.78644	0.8
621.30774	5.9
639.30420	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	639.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01879	11.1
55.05515	58.1
67.05495	3.7
69.03426	2.6
69.07064	3.1
69.95450	6.0
79.05489	4.1
81.03409	4.1
81.07033	2.9
83.04987	100.0
91.05485	20.6
93.07066	6.3
95.04969	6.0
95.08591	1.9
103.05424	2.0
105.07027	14.1
107.04958	4.4
107.08576	2.8
109.06536	2.8
115.05463	8.3
116.06234	2.5
117.07030	12.7
119.04956	1.3
119.08599	16.9
121.06475	2.0
123.08079	1.3
123.85715	1.3
126.54221	1.2
128.06221	5.8
129.07022	14.2
130.07782	2.7
131.08562	15.6
133.06462	1.8
133.10129	14.3
135.08037	2.5
141.06996	4.0
142.07785	7.9
143.08575	15.9
144.05663	1.2
145.06497	11.6
145.10129	11.1
147.08057	46.7
147.11734	2.3
149.05907	1.3
149.09621	4.5
153.06999	2.1
154.07851	2.0
155.08583	6.7
156.09364	10.5
157.01216	1.3
157.06506	2.7
157.10120	21.4
158.07280	2.3
159.08067	28.4
159.11702	4.7
161.09622	29.3
163.07559	4.4
163.11148	3.9
165.07018	3.4
166.07852	2.9
167.08577	3.2
168.09294	2.2
169.06464	1.9
169.10106	11.2
170.07384	1.8
170.10896	7.1
171.08083	6.9
171.11688	35.9
172.08783	1.9
173.05975	3.8
173.09630	15.2
173.13206	2.0
175.07574	10.5
175.11334	1.9
179.08562	1.4
180.09367	3.1
181.10130	4.2
183.08070	3.5
183.11691	17.1
184.08766	2.6
185.09633	12.8
185.13271	25.8
187.07512	1.9
187.11218	4.8
187.14754	1.2
189.09114	1.9
191.10614	2.2
193.10083	3.3
195.08110	1.4
195.11740	7.7
196.08806	1.8
197.09583	5.1
197.13246	4.8
198.10390	2.8
199.11197	15.1
201.09044	1.7
201.12863	1.4
202.56989	1.3
203.08711	1.7
203.10527	1.5
206.10890	3.1
207.11720	4.2
208.08875	1.7
209.09554	1.9
209.13286	1.8
211.11113	5.3
213.09204	3.4
213.12741	32.7
215.10722	3.7
217.10158	1.5
217.12181	2.7
218.10817	1.5
219.08070	1.7
219.11757	2.6
220.08762	1.6
221.09677	1.8
221.13257	2.1
223.11169	4.8
223.14951	2.3
225.09258	1.4
225.12721	3.2
229.10173	1.8
229.12244	5.6
230.10933	2.9
231.10014	2.7
231.11925	1.8
231.13823	4.7
232.12505	1.6
233.09586	2.4
234.10452	1.6
234.13998	2.3
235.11101	2.9
235.14769	1.9
237.12695	2.7
239.10660	2.7
239.14133	1.4
241.12277	4.2
243.11630	3.4
243.13882	4.7
244.12428	3.6
245.13271	1.7
245.15419	24.4
246.10435	1.3
246.13861	1.6
247.11171	2.7
249.12770	2.9
254.10779	1.5
255.13870	4.6
257.13248	3.6
258.14191	3.2
259.10904	2.9
259.13275	4.9
260.12027	1.5
261.12686	3.0
263.14288	2.9
267.11761	1.5
268.12317	2.1
269.13226	4.4
270.14072	2.2
271.11047	2.1
272.15497	1.5
273.12680	2.2
273.14938	16.9
275.14297	2.9
282.14050	1.3
283.11169	2.4
283.14780	3.9
284.11902	1.5
284.15521	2.5
285.12680	5.5
286.13452	3.5
287.14322	4.8
287.17361	1.4
289.15906	2.0
296.12076	2.2
297.12897	6.0
297.16049	1.8
298.13535	1.8
299.10880	1.9
299.14291	5.6
300.15189	2.3
301.15948	6.1
303.17377	2.5
311.14304	4.6
312.15073	5.1
313.15753	3.6
315.13815	2.0
315.17435	3.6
317.18967	5.2
326.16663	3.3
327.14124	1.7
327.17514	9.1
328.14444	1.7
328.18158	2.3
329.15280	6.9
329.19131	5.0
330.16010	1.6
331.17233	1.8
333.17087	1.8
339.13937	1.9
341.19009	8.3
342.16293	1.8
345.18369	7.2
354.16177	2.2
357.18420	7.1
359.20029	7.2
361.17978	2.0
369.18573	11.0
371.16470	1.3
377.21140	1.6
387.19501	12.6
389.21140	7.4
391.22549	8.7
401.21127	17.7
419.22214	27.2
437.23190	4.0
447.21521	2.2
461.23035	3.5
479.24326	12.8
507.23630	1.4
513.00012	1.9
539.26410	8.2
547.26581	1.6
607.29138	1.5
621.30682	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	639.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25024	1.5
55.05510	3.3
56.51412	1.6
67.05505	7.3
67.89688	2.5
71.54975	2.2
71.55342	2.2
79.05508	3.8
81.07065	6.1
83.04990	3.3
83.08616	3.0
91.05465	3.2
93.07066	2.7
95.08606	4.8
105.07034	3.6
107.08619	2.6
109.10204	2.3
109.58681	1.7
120.08048	2.0
124.32011	1.7
133.10225	2.1
145.10150	2.2
147.11688	1.8
149.04758	1.7
157.10168	2.1
171.11714	2.7
205.79912	1.7
294.11649	1.8
296.27133	1.9
327.25598	1.9
405.20874	5.6
406.21524	2.6
409.62595	1.9
419.22647	4.2
420.22943	2.5
433.20029	2.9
452.22195	2.9
465.22913	28.9
475.25742	2.6
479.24567	6.7
480.25073	5.0
488.22137	2.7
492.21860	2.8
493.26160	4.4
503.24545	14.4
521.25604	11.8
537.24707	6.4
561.25031	3.0
565.24481	42.1
566.25049	2.4
580.26801	9.8
607.25543	10.5
607.42517	1.9
621.27069	3.6
639.28119	100.0
639.44305	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	639.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01863	9.0
55.05514	35.6
65.03973	2.8
66.69743	2.0
67.05513	11.4
69.03439	11.8
69.07055	10.3
69.69444	14.3
71.04990	2.3
79.05492	21.5
81.03407	17.4
81.07056	16.8
83.04983	58.7
83.08623	3.4
85.02879	2.4
87.65285	2.6
91.05482	35.1
93.07051	20.1
95.01266	2.4
95.04962	10.5
95.08610	9.6
103.05498	4.7
104.06202	2.5
105.07028	40.8
107.04906	5.9
107.07981	2.5
107.08589	15.1
109.06512	6.0
109.10101	3.2
111.04472	5.2
111.08092	2.5
115.05463	8.1
117.07009	17.3
119.04914	4.1
119.08588	31.7
121.02837	2.8
121.06530	5.7
121.10132	8.3
123.04475	3.1
123.08125	4.2
128.06212	7.3
129.06947	12.8
131.04935	9.3
131.08568	21.3
133.06480	14.4
133.10121	46.2
135.08060	9.7
141.06969	8.3
142.07814	12.8
143.08553	24.8
145.06520	15.0
145.10126	21.1
147.08037	28.0
147.11658	3.8
149.02258	4.0
149.09593	8.6
153.06940	4.1
155.08554	10.7
156.09351	19.3
157.06453	4.5
157.10120	30.7
158.07187	2.7
159.08044	21.3
159.11684	16.1
160.08884	2.2
161.05992	19.6
161.09636	21.8
163.07500	21.2
163.11203	8.4
165.06985	3.1
167.08563	5.1
168.09242	5.3
169.10086	17.5
170.07195	2.6
170.10936	13.7
171.08052	14.1
171.11690	62.5
172.08789	2.8
173.05974	4.5
173.09613	20.9
173.13274	5.3
175.07573	5.2
175.11153	4.8
177.09105	8.4
179.08545	6.6
180.09346	3.8
181.10147	6.7
182.10924	6.1
183.08038	7.9
183.11696	53.6
184.08804	5.0
184.12306	4.5
185.09610	16.2
185.13251	37.5
186.10338	4.0
187.07567	4.3
187.11201	11.0
189.05441	8.7
189.09117	8.3
191.07013	5.3
193.04887	4.0
193.10083	7.1
194.10925	4.1
195.07988	4.6
195.11777	15.1
195.13362	2.9
197.09615	10.4
197.13228	12.4
198.10387	8.9
199.07635	4.2
199.11165	20.7
200.11908	6.4
201.09116	6.7
201.12749	10.9
205.10277	3.5
205.12224	5.7
206.10902	3.3
207.11684	7.5
208.12515	2.9
209.09561	4.6
209.13260	6.8
211.07671	3.2
211.11177	14.8
213.09427	4.5
213.12747	100.0
213.14807	4.8
215.10664	6.8
217.08537	3.0
217.12215	4.4
218.10905	3.0
219.11821	4.9
221.13289	10.5
223.11176	7.6
223.14760	3.9
225.12889	4.9
227.10583	6.0
229.10149	5.0
229.12239	6.2
230.10904	3.5
231.10144	7.7
231.11948	3.8
231.13759	4.6
232.12518	6.6
233.13280	6.9
235.11179	3.7
235.14891	8.5
237.07452	4.1
237.12698	3.8
239.10663	4.5
241.12215	14.2
243.11772	5.5
243.13908	7.4
244.12421	4.3
245.13289	4.7
245.15297	14.3
247.11087	3.1
249.12779	4.7
249.16444	4.7
251.14287	3.3
251.17926	3.2
253.12291	4.1
255.13861	8.9
257.13174	8.0
258.14087	3.8
259.11118	3.3
259.14948	5.8
261.12753	5.3
261.16565	4.4
263.14426	3.2
267.11615	2.8
267.14063	2.7
268.12659	3.1
271.14938	4.5
272.11868	4.3
272.15613	3.5
273.14774	67.0
275.12894	11.0
275.17722	2.7
276.89883	2.5
277.12027	3.2
277.15756	2.5
279.13583	2.4
284.11993	3.7
285.12711	3.9
285.16083	2.9
286.13568	3.4
287.14270	7.8
287.17728	3.8
289.15744	3.6
291.16202	3.6
300.14954	2.6
301.15909	5.0
305.15582	2.5
313.12286	2.9
313.15646	2.7
315.17474	7.5
317.15454	4.0
319.16797	4.0
321.18549	2.8
325.15857	3.4
327.13718	3.2
329.15234	2.8
329.18896	5.0
331.16858	6.5
333.18521	8.9
342.15762	2.8
343.16974	16.6
345.18365	6.9
347.20099	8.8
349.18066	3.4
357.18402	13.9
361.17926	20.1
373.18045	6.7
375.19562	23.7
385.17819	11.7
391.18924	7.0
393.20367	3.2
403.19003	24.1
405.20453	6.8
407.21939	3.9
409.20120	5.7
417.20563	20.2
421.15106	2.5
421.20062	14.4
435.21622	34.3
439.21198	5.3
453.22696	4.8
477.28616	2.9
503.23907	3.0
535.26959	3.9
621.30573	8.7
639.26062	4.5
639.34363	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05628	1.2
67.05313	0.8
67.05666	1.0
69.84525	0.8
69.84918	1.6
79.05295	1.0
79.05707	0.6
81.06889	0.7
81.07273	0.6
83.04742	1.3
83.05274	0.7
86.90668	0.4
86.91283	0.4
91.05267	0.9
91.05811	0.9
93.06857	0.7
93.07345	0.5
95.04742	0.5
98.20737	0.5
105.06816	1.1
107.08361	0.7
113.14676	0.4
117.06815	0.7
117.07539	0.4
119.08338	0.7
120.07874	0.5
125.12590	0.4
126.02956	0.4
131.08365	0.7
133.09900	0.5
143.08395	0.5
145.09937	0.5
147.07822	0.8
157.09824	0.5
159.07735	0.8
161.09370	0.6
164.36385	0.4
171.11380	0.7
185.13026	0.5
195.02930	0.5
195.08914	0.6
207.08856	0.5
209.10480	1.0
210.11209	0.8
211.11989	0.8
221.10416	1.5
221.12538	0.4
222.11136	0.6
223.08351	0.6
223.12299	2.5
224.12700	1.3
225.06291	0.9
225.13550	1.4
233.10530	0.5
234.11172	0.7
235.08435	0.5
235.11908	1.4
236.12845	1.4
237.09953	0.5
237.13510	3.0
238.14293	2.2
239.07819	0.7
239.15085	1.3
240.16010	0.6
247.11998	1.4
249.09853	0.9
249.13911	2.1
250.14374	0.9
251.11469	0.8
251.15456	2.2
252.15820	0.7
253.16693	0.9
261.13919	2.0
263.11441	0.7
264.12366	1.1
265.12918	0.7
272.11893	0.6
273.11963	0.5
274.13135	0.6
276.14816	0.4
277.13132	1.3
279.14612	1.7
285.12787	0.5
299.10031	1.8
299.14828	0.5
302.16153	0.5
312.14752	1.1
313.15540	0.6
314.16388	0.6
325.12210	0.5
326.16220	0.7
328.17987	0.7
330.15906	0.7
350.16187	0.6
352.13647	0.5
354.15698	0.8
354.19687	0.6
363.16003	0.8
364.17508	0.7
365.17670	1.0
367.19455	0.5
376.17996	0.6
378.18747	1.1
379.19464	2.4
384.16568	0.6
387.19165	0.7
390.15747	0.5
391.15552	0.5
392.16415	0.9
393.16638	0.6
393.21017	0.9
395.18405	0.8
400.20126	0.5
401.21225	0.5
405.17200	0.9
406.17972	0.8
407.18460	2.3
409.19827	1.4
410.20538	1.6
416.16046	0.6
417.16837	1.2
418.17456	0.5
420.15204	0.7
421.20151	1.9
422.21191	2.6
423.21872	2.3
431.18338	1.2
434.17078	0.6
435.17834	1.6
435.22223	0.9
436.18945	0.5
445.20456	0.6
449.19714	2.1
450.20361	2.0
451.21124	1.7
459.18121	0.6
461.20239	0.6
463.17093	1.0
464.22568	0.5
465.23511	0.7
467.20462	1.2
468.21332	0.9
474.19379	0.6
475.21185	0.8
477.18686	0.8
479.20956	2.0
481.25803	1.7
482.22958	1.5
483.23999	1.2
491.20456	0.8
492.22040	0.7
493.22009	1.7
494.23798	2.0
496.24637	1.6
505.22250	0.8
509.25647	17.7
510.25787	1.1
519.24420	2.2
521.22534	0.9
522.22668	1.4
535.27423	0.9
536.24103	1.4
537.25049	13.1
541.27832	1.3
547.23340	1.6
551.26550	4.4
553.24030	0.7
561.24774	1.1
563.26184	0.9
564.23798	0.6
565.24414	12.3
567.29706	2.9
569.27661	16.5
579.26190	4.2
589.24921	0.9
595.29828	1.1
596.26270	3.0
597.27106	100.0
598.27411	2.6
607.25623	9.1
611.28558	14.1
621.27246	4.5
622.26880	0.9
639.28180	32.7
639.40656	1.9
640.28473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2817
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.01875	0.8
55.05519	1.4
57.30312	0.2
63.93419	0.2
67.05518	1.3
69.07069	0.3
71.17200	0.2
74.56547	0.3
79.05494	0.7
81.03436	0.7
81.07072	0.9
83.04996	2.1
86.29668	0.3
91.05489	1.4
93.07056	1.0
95.04987	0.4
95.08625	0.9
97.06542	0.4
98.20805	0.7
105.07039	1.3
107.04936	0.5
107.08610	0.6
117.07050	0.6
119.08609	1.0
121.10091	0.4
128.06282	0.3
129.07007	0.7
131.08577	0.8
133.10139	0.6
135.08069	0.3
143.08582	0.6
145.10202	0.7
147.08008	1.3
157.10149	0.9
159.08095	1.0
159.11761	0.4
161.09651	0.9
163.07576	0.5
169.10164	0.4
171.11734	1.0
173.09680	0.5
183.11723	0.7
185.09639	0.3
185.13301	0.7
195.09308	0.3
197.13205	0.3
204.06616	0.4
211.08702	0.3
213.12585	0.6
225.10292	0.5
227.11740	0.3
231.13751	0.4
236.09354	0.3
237.10323	0.4
239.11859	0.6
245.15495	0.5
249.10263	0.4
249.12599	0.3
253.13390	0.3
273.15033	0.3
273.18521	0.3
275.20203	0.4
285.12659	0.3
311.14172	0.4
315.13812	0.3
340.14709	0.4
341.15314	0.4
342.16110	0.3
354.16217	0.5
377.18106	0.3
379.19196	0.5
380.86325	0.3
391.15491	0.5
392.16180	0.4
393.17044	0.8
393.21445	0.4
394.21567	0.5
405.17426	1.0
406.17712	0.8
407.18488	2.2
409.20160	0.4
417.16962	0.4
418.18164	0.3
419.14407	0.5
419.23053	0.4
420.19550	1.0
421.20432	4.5
422.20996	1.2
423.21887	0.8
432.19427	0.6
433.15366	0.4
433.20990	1.4
434.17465	1.1
435.18173	1.9
435.22531	1.0
436.22961	2.1
445.16382	0.6
447.17267	0.5
447.22925	1.4
448.18576	2.3
449.19641	8.1
450.20300	2.4
451.21243	0.4
459.18390	0.9
460.18958	0.4
461.20004	1.3
462.20718	0.8
463.21616	5.4
464.22141	5.6
465.22775	0.9
473.19507	0.4
474.20569	0.9
475.21622	1.6
477.18893	4.6
478.19849	1.9
479.20947	0.9
480.21667	0.3
487.21332	0.4
491.21021	0.9
492.21475	1.1
493.22308	1.0
495.24069	0.3
505.22165	0.8
507.24072	1.2
509.25885	0.5
521.22217	1.2
523.23175	2.2
533.21136	1.4
535.23547	2.8
536.24109	1.1
537.21790	1.2
549.21423	0.5
550.25574	1.4
551.26703	3.0
561.24872	3.9
563.23291	0.5
564.23627	4.1
565.24554	2.3
579.26001	5.9
581.23895	0.6
592.23254	0.7
594.62854	0.3
595.25494	2.1
596.26758	1.2
597.27142	1.3
607.25702	1.3
610.27570	0.5
611.28406	0.4
621.27026	4.9
624.25781	5.3
639.28143	100.0
640.28510	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	639.2812
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.03944	0.7
55.05511	2.1
57.03434	0.9
57.07084	0.6
67.05175	0.5
67.05510	6.2
69.07066	2.2
70.78522	0.4
71.04993	0.7
73.68076	0.3
79.05496	3.6
81.07059	5.4
83.04993	0.8
83.08614	1.2
89.66647	0.4
91.05489	4.7
93.07049	4.0
94.07366	0.4
95.04993	0.6
95.08613	4.8
97.06515	0.4
97.10172	1.1
98.21509	0.8
105.07055	2.6
107.08624	1.9
109.10161	1.6
111.08035	0.4
117.07027	2.4
119.08547	2.1
121.10119	2.1
123.08090	0.4
123.11706	0.4
129.06929	0.4
131.08571	1.9
133.10120	1.5
135.11688	1.4
143.08531	0.6
145.10118	1.6
147.11717	1.0
157.10121	0.5
159.11717	1.2
161.13283	0.5
169.10211	0.4
171.11778	0.7
173.13263	0.5
181.10246	0.5
183.11700	0.6
185.13249	0.6
195.11696	0.5
210.11615	0.5
211.08705	0.5
223.12279	0.6
237.13995	0.6
239.17816	0.4
249.13936	0.4
258.06757	0.4
259.20563	0.6
295.87936	0.4
326.16803	0.7
327.25314	2.8
328.18048	0.7
328.25653	1.1
351.25253	0.6
375.16809	0.4
377.17636	2.0
378.18283	1.0
388.17834	0.7
389.17819	0.8
390.18518	1.2
391.19254	4.5
392.19977	3.3
393.20731	0.7
403.19290	1.4
404.19815	1.9
405.15884	0.7
405.20801	8.6
406.21552	4.6
407.22348	12.2
417.20612	1.3
418.21628	1.3
419.22604	4.1
420.23093	3.8
421.17651	0.8
421.23874	15.8
422.18155	0.5
422.24600	2.6
429.20764	0.6
431.17853	0.6
431.22830	0.9
433.18884	0.4
433.24402	4.4
434.25137	1.8
435.18246	1.5
436.18802	1.2
437.19586	0.9
445.19830	1.8
446.20850	1.1
447.21176	1.8
448.26312	0.7
449.19675	1.2
449.27802	0.6
450.20557	2.1
451.21225	12.2
452.22235	3.4
459.10773	0.5
460.22540	1.4
461.23923	2.3
462.20361	0.6
463.21616	2.2
464.22156	1.3
465.22876	17.9
466.23669	2.2
472.18613	0.5
473.19464	1.3
475.20663	1.2
475.25259	1.4
476.21750	0.8
477.22614	1.1
478.23755	1.5
479.24118	1.4
487.21384	2.1
488.22009	1.8
489.22800	0.6
491.20090	1.0
491.25073	0.5
492.20563	0.8
492.25153	1.6
493.26007	2.5
501.22778	1.6
502.23471	0.6
503.24478	11.4
504.25174	0.6
505.21500	0.8
507.27625	10.0
508.28308	2.4
519.23682	1.0
521.25391	0.9
523.23419	3.2
533.25604	1.4
535.27136	14.0
536.27448	0.5
537.25018	8.7
547.26599	0.8
551.26471	4.7
552.27350	16.2
561.24768	3.9
562.25055	0.7
563.26251	0.6
579.25653	7.1
580.26672	2.6
585.45508	0.5
586.45447	0.8
593.27478	1.0
595.29065	4.6
603.45862	0.7
604.46198	1.1
607.26294	1.1
607.43781	2.4
621.27167	15.8
622.27478	0.8
639.28088	100.0
639.46002	3.1
640.28107	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	3.3
53.03944	8.3
55.01872	15.5
55.05510	24.7
55.85607	2.7
67.05500	20.9
69.03422	12.1
69.07036	3.8
77.03947	3.5
79.05492	26.4
81.03420	19.7
81.07053	13.3
83.04987	33.3
83.08636	3.1
85.02891	5.0
91.05483	37.1
93.07061	19.6
95.01328	4.3
95.04974	38.3
95.08608	11.6
97.06545	5.6
100.56895	2.6
102.41883	2.5
103.03970	3.3
103.05466	9.6
105.02708	5.0
105.03408	82.1
105.04484	6.3
105.07034	55.8
107.04942	11.5
107.08573	9.9
109.06535	16.1
109.10100	2.7
111.04445	3.8
113.52301	2.9
115.05473	21.6
117.07032	18.3
119.04953	9.0
119.08582	21.8
121.02884	5.1
121.06519	17.4
121.10139	6.6
123.04442	3.3
123.08045	7.1
125.05977	4.4
128.06230	13.8
129.06996	14.3
129.97374	2.7
131.04924	8.6
131.08554	22.8
133.06502	51.1
133.10133	11.3
135.04410	8.8
135.08037	15.4
137.05974	12.5
141.06989	10.7
142.07755	14.8
143.04854	4.4
143.08568	25.1
144.09424	3.8
145.06487	27.7
145.10110	19.6
147.08055	22.7
147.11777	3.7
149.05992	7.9
149.09592	6.2
151.07616	3.2
153.06990	6.3
154.07838	7.1
155.08578	17.7
156.09352	17.2
157.06479	6.1
157.10152	27.1
157.32469	2.9
158.07326	6.0
159.08073	25.0
159.11720	10.9
161.05989	76.4
161.09660	9.1
162.06738	5.0
163.07545	21.1
163.11172	5.4
165.06984	8.0
166.07782	5.4
167.08565	6.0
169.06473	6.9
169.10153	30.0
170.07265	3.5
170.10909	8.8
171.08063	17.8
171.11693	20.1
172.08833	8.1
173.05991	7.8
173.09598	22.6
173.13293	3.5
175.07530	7.8
177.05513	5.0
179.07021	10.3
179.08582	8.4
180.09381	3.9
181.06474	6.0
181.10159	11.6
182.07231	7.6
183.08029	17.5
183.11694	15.8
184.08853	7.9
185.05887	5.4
185.09644	20.9
185.13309	8.8
187.07532	14.6
187.11237	15.2
189.05524	4.6
189.09138	11.8
191.06938	3.4
193.10176	12.1
193.12215	5.6
195.08099	7.4
195.11708	8.3
195.22296	3.1
196.08771	5.6
197.05856	4.3
197.09624	40.1
198.10396	6.0
199.07578	20.2
199.11166	44.3
201.05402	3.5
201.09096	12.2
201.12767	3.9
203.06990	5.6
203.10638	4.8
205.08553	5.8
205.10272	4.1
207.08141	6.8
207.11714	6.5
209.05951	7.2
209.09598	10.0
209.13196	3.2
211.07518	9.1
211.11208	7.4
211.13223	3.8
212.08470	2.8
213.09212	16.4
213.12755	12.0
214.09683	4.0
215.07104	8.4
215.10709	21.3
217.08633	10.1
217.12106	21.6
218.10938	4.6
221.13411	3.4
223.07675	4.9
223.11194	4.9
225.05620	4.3
225.09067	24.4
225.12737	3.8
227.06969	5.3
227.10641	9.1
229.08632	6.9
229.12090	6.4
231.10068	6.3
233.09673	4.3
235.09483	3.7
239.07021	3.7
239.10606	4.8
241.08437	19.2
241.12286	4.4
243.10068	23.7
245.07976	5.2
253.08583	4.5
255.10214	8.7
257.08081	18.3
257.11700	8.1
259.09506	17.9
267.10046	4.5
271.09595	5.9
272.12024	4.7
273.11026	3.1
275.12912	4.0
284.15482	3.2
285.11148	25.1
301.10715	10.0
303.12238	51.9
307.13196	3.6
315.13632	4.4
317.15033	3.8
319.11905	6.6
321.13638	3.5
329.14890	4.6
331.13297	5.0
347.16202	4.4
349.14294	4.0
352.92032	3.4
355.13315	4.6
363.15768	4.5
375.15338	4.6
377.17413	5.6
385.14377	5.2
387.14758	4.0
395.18512	5.5
401.13510	3.9
403.15259	8.4
405.16553	4.9
419.14468	3.8
421.16422	9.5
423.14285	7.5
425.15805	6.5
431.14999	8.7
435.17758	3.7
439.17426	10.8
440.25238	3.5
445.15704	4.0
449.15915	13.1
451.17355	8.2
453.19055	3.8
459.27274	6.2
463.17551	17.3
467.17215	8.7
469.18454	34.0
477.28506	4.1
481.18616	100.0
481.25577	6.1
499.19644	58.6
517.20563	14.6
561.20966	21.7
603.22015	7.9
616.87091	3.7
621.24634	15.2
639.27606	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.9
57.03421	2.1
57.07091	2.0
67.05176	1.6
67.05509	16.6
69.07066	9.7
74.59319	1.4
79.05502	8.9
81.06640	2.3
81.07057	21.2
83.08611	6.9
91.05495	5.7
93.07037	11.4
95.08603	21.0
97.10159	5.7
98.20789	3.4
105.07033	3.8
107.08593	5.7
109.10152	7.3
111.11765	1.7
117.07067	2.7
119.08599	3.0
121.10122	7.4
123.11698	3.4
133.10143	3.5
133.41008	1.4
135.11684	6.6
135.17174	1.5
145.10185	1.4
147.11748	2.5
151.11119	1.4
161.13286	2.6
193.07594	2.2
195.09140	3.3
196.09850	4.1
197.10725	2.4
207.09268	2.7
208.09862	2.7
209.10599	3.0
210.11421	6.2
211.11899	3.6
212.12990	1.6
223.08762	3.5
223.12338	2.6
224.09361	8.9
224.12784	1.9
225.09969	8.0
225.13753	5.7
226.10585	2.3
226.14352	4.0
235.08743	1.9
236.09171	3.6
237.10063	3.1
238.10883	4.8
239.08144	2.1
242.02243	1.6
249.06812	1.4
251.08261	2.9
251.11794	3.7
252.08359	2.3
252.12303	2.3
253.13400	11.4
254.13702	8.9
255.11253	3.3
259.20596	4.7
263.08029	1.9
264.08612	2.2
265.09406	3.2
266.10245	3.2
267.11261	1.5
269.12784	1.8
277.21545	2.7
279.11234	3.1
280.11688	3.6
281.09293	1.8
291.07578	3.9
292.07944	3.1
297.12326	1.9
298.12793	2.4
310.09229	3.1
311.09940	2.2
311.13754	1.5
325.11816	3.8
326.12195	3.2
327.25275	25.7
333.24234	3.6
351.09802	20.8
351.25287	11.5
352.10114	21.6
353.10785	1.9
369.10727	7.5
370.11038	8.7
421.23904	1.8
423.21844	4.3
436.18192	1.8
437.23325	3.5
465.22971	4.5
471.17685	1.6
492.21518	2.1
493.22464	3.9
518.22583	5.3
574.21429	5.1
578.24786	33.1
578.33850	2.0
579.25940	3.3
580.26660	3.5
603.46338	14.0
605.23853	2.2
606.24280	100.0
607.24274	7.1
638.26959	29.0
639.28064	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	638.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01854	1.0
55.05513	30.7
57.03443	11.2
57.07077	7.4
57.11188	0.9
67.05507	83.5
69.07069	50.1
71.05000	6.2
71.08633	2.4
74.09689	1.2
75.87237	0.9
79.05496	42.3
80.55231	0.9
81.07060	87.6
83.04987	3.8
83.08139	2.1
83.08620	31.7
85.06553	3.9
85.10184	1.8
91.05482	38.5
93.07048	46.1
94.83178	1.2
95.04980	3.9
95.08610	88.3
97.06539	6.4
97.10174	19.6
99.08093	2.3
103.05443	1.2
105.04524	1.3
105.07032	28.7
107.04999	1.3
107.08600	23.6
109.06531	1.5
109.10161	32.2
111.08114	6.1
111.11729	6.4
115.05422	1.3
117.07038	8.9
119.08582	21.5
121.10151	28.1
123.08078	2.3
123.11716	10.1
125.09627	1.6
125.13213	1.1
128.06224	1.3
129.06993	4.9
129.09117	1.2
130.07748	1.2
131.08580	14.3
133.10136	19.7
135.08105	1.1
135.11700	21.3
137.05998	2.4
137.09621	2.6
137.13258	3.9
139.11208	2.3
143.08565	4.8
145.10101	10.6
147.11685	14.0
149.13275	6.9
151.11185	1.7
151.14876	1.8
153.12759	3.8
157.10138	4.5
159.11717	7.4
161.13254	8.8
163.11171	1.8
165.12785	2.0
169.10155	1.1
171.11662	4.5
173.13261	4.3
175.14818	4.1
177.12836	1.3
179.14287	1.8
185.13287	4.3
187.14766	1.1
199.14909	1.6
217.19537	4.8
235.16760	1.1
235.20587	3.3
241.19539	5.6
253.21605	1.4
259.20593	13.4
261.22162	1.2
277.21680	4.0
295.22574	0.9
315.23212	1.5
325.23865	1.9
327.25314	100.0
333.24237	26.5
337.27725	1.2
351.25299	23.8
449.19370	1.1
475.39270	2.3
493.40405	7.4
511.41321	3.0
529.42407	2.1
559.43622	3.4
560.24329	2.2
567.43658	3.3
573.44885	2.5
579.25409	1.1
585.45129	37.7
588.23737	1.3
594.30707	1.8
603.46216	51.6
604.46436	1.3
620.26221	1.6
621.26569	2.3
638.29474	8.8
639.28546	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	638.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.7
55.01868	6.3
55.05515	40.2
57.03436	13.0
57.07078	40.0
59.56973	4.5
66.73031	5.4
67.05508	54.8
69.07066	33.6
69.95843	24.8
71.04993	6.8
71.08640	29.1
79.05495	40.6
81.07062	65.3
82.68649	5.6
83.08612	21.3
85.10199	12.4
91.05492	59.8
93.07056	41.1
95.04974	6.1
95.08616	46.1
97.06512	8.2
97.10165	17.0
98.21423	6.7
105.07031	48.8
107.04939	5.1
107.08604	16.7
109.06535	4.9
109.10154	15.0
115.05440	9.5
117.07021	26.3
119.08618	32.2
121.06526	10.5
121.10166	11.1
125.09646	5.6
128.06224	16.0
129.06982	19.2
130.07825	12.1
131.08572	85.9
133.06409	8.7
133.10139	24.2
135.11676	8.3
138.04451	5.0
141.06967	6.9
143.07541	7.2
143.08575	83.9
145.10135	83.5
147.08086	8.7
155.08553	6.3
157.10139	20.2
159.11688	15.1
161.09608	7.9
163.11166	7.1
169.10164	11.9
171.11700	12.6
181.10211	16.2
183.11661	10.1
195.11685	19.6
227.12616	10.1
227.17886	9.8
237.16440	25.7
253.14407	6.1
255.17511	16.3
273.18524	71.2
291.19656	11.0
311.25787	16.2
313.27380	100.0
327.25073	7.1
329.21082	14.0
347.22174	45.1
391.91257	5.7
585.45148	71.9
603.46185	31.0
638.29773	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	638.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.9
55.01868	7.1
55.05269	3.8
55.05513	50.2
57.03445	15.4
57.07078	23.7
67.05177	3.7
67.05508	50.1
69.03435	3.2
69.07070	60.6
71.04996	4.6
71.08639	15.5
79.05057	3.4
79.05494	37.7
81.03415	5.0
81.07062	59.8
82.07423	2.0
83.04980	8.6
83.08618	44.2
84.81350	1.8
85.06551	3.0
85.10172	6.9
87.19657	2.0
89.06015	5.9
91.05478	35.3
93.07049	47.1
95.04958	8.6
95.08610	31.5
97.06520	9.1
97.10177	30.7
97.86372	2.0
105.07035	26.2
107.04935	2.7
107.08598	27.0
109.06525	3.6
109.10167	9.2
111.08084	5.7
111.11716	8.0
117.07007	13.3
119.08585	19.7
121.06520	3.2
121.10130	18.3
123.08097	2.5
123.11718	5.4
125.09627	2.8
128.06224	2.1
129.07016	5.4
131.08553	17.3
133.06540	2.3
133.08606	2.1
133.10149	18.6
135.11685	13.8
137.09644	3.8
143.08626	3.1
145.10147	9.6
147.08101	2.4
147.11685	7.1
149.09598	6.1
149.13245	7.8
151.11159	3.6
155.08537	2.1
157.10136	4.9
159.11688	8.3
161.13290	3.4
163.11246	5.1
169.10172	2.1
173.13336	2.7
177.12767	2.1
195.13741	3.0
219.21109	2.9
237.22205	4.9
239.18030	3.2
253.14360	8.0
255.15955	9.0
257.18964	6.2
267.15717	2.9
269.17514	13.1
275.20096	22.2
291.19543	5.2
311.25803	75.2
313.27325	7.4
327.25284	5.5
344.09680	2.0
349.23727	21.6
351.25479	2.5
352.46811	2.0
365.23279	2.7
367.24713	3.2
491.37320	30.2
505.38919	100.0
509.38385	2.6
585.45087	19.6
603.46411	13.7
638.29968	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	638.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	2.1
57.03379	0.8
67.05108	0.4
67.05430	7.1
69.06992	3.8
69.22527	0.6
69.22920	4.2
79.05421	2.5
81.06975	8.6
83.08607	2.9
91.05399	1.8
93.07047	4.1
95.08615	8.0
97.06416	0.5
97.10076	1.6
105.06939	1.8
105.07579	0.4
107.08501	2.1
109.10159	3.5
111.03822	0.5
119.08518	1.5
121.10161	4.0
123.11607	1.1
133.10072	1.1
135.11688	2.9
147.11649	1.2
161.13177	0.9
187.80495	0.5
230.26947	0.5
235.20384	0.5
241.19417	0.6
259.20529	1.1
277.21631	1.1
315.23193	0.5
327.25327	12.0
333.24258	2.1
351.25259	5.2
389.18323	0.5
390.19070	0.8
391.19049	0.7
392.19449	1.7
393.20486	0.6
400.16821	0.5
401.17365	1.2
402.18137	1.3
403.19260	0.7
404.20322	0.9
405.21152	2.8
406.21143	4.9
407.21799	3.8
413.17462	0.8
414.18069	1.8
415.18985	2.5
416.19800	3.3
417.20761	0.9
418.21558	0.9
420.23141	2.9
421.23660	5.7
422.24338	6.8
428.19452	1.3
429.20703	3.7
430.21289	8.5
431.22061	2.9
432.18405	0.7
432.23471	1.0
433.19183	0.8
433.24243	0.7
434.20200	1.5
434.24585	1.8
435.24902	1.3
443.22336	2.3
444.23007	5.9
445.23810	3.7
446.20221	2.3
447.21527	0.8
448.17853	0.8
449.23209	0.5
455.18616	0.6
456.18997	1.1
457.19159	0.9
457.24585	0.6
458.25253	3.7
459.24823	4.5
460.22220	7.5
461.23474	3.7
462.19644	5.0
471.21396	1.7
472.22180	1.9
473.23224	5.0
474.19611	1.8
474.24649	1.1
475.20749	0.7
476.21555	3.3
477.22269	4.5
478.22736	0.7
484.17401	0.5
485.23706	1.4
486.23938	10.7
487.20691	2.2
487.24756	2.5
488.21094	2.2
489.22357	3.9
490.23044	1.6
491.24005	0.6
500.21521	1.6
501.22556	1.5
502.23404	0.6
503.24387	3.0
504.24783	13.8
506.22693	0.7
508.28094	0.6
514.23370	3.4
515.23895	1.7
517.26062	1.4
518.26416	6.7
530.26276	1.7
531.24335	0.6
535.27069	2.5
536.27441	20.2
537.27472	1.0
545.25537	4.8
546.25836	62.6
547.26233	4.3
548.28534	0.6
563.26392	0.9
564.26886	6.1
565.27930	0.6
574.25336	16.8
575.25500	0.8
578.28564	0.9
585.45062	0.9
603.46167	6.3
605.27454	1.0
606.27924	55.9
607.28235	4.1
638.30542	100.0
639.30927	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	638.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01571	0.7
53.03935	2.2
55.01886	0.9
55.05515	7.1
57.03434	1.2
57.07065	1.8
59.70718	0.7
67.05513	8.7
69.03432	1.2
69.07067	7.5
69.24940	1.9
69.25347	5.6
71.95750	0.7
79.05497	7.7
81.03410	2.6
81.07062	42.2
82.07367	1.0
83.04989	7.3
83.08615	3.8
85.02899	1.1
85.06541	4.9
91.05476	4.2
93.07047	15.7
95.04968	3.1
95.08616	33.6
97.06525	2.3
97.10168	3.3
98.21532	1.3
103.05432	1.0
105.03391	4.9
105.07023	8.1
107.04981	1.2
107.07898	0.7
107.08601	17.1
109.06544	3.9
109.10161	19.4
111.08131	1.1
111.11752	1.4
115.05455	1.2
117.07013	2.8
119.08585	6.4
120.08913	1.0
121.06490	1.3
121.10146	12.4
123.08064	2.3
123.11705	10.3
125.09602	1.3
127.07533	2.8
129.07048	2.1
131.04932	1.7
131.08565	3.2
133.06491	2.3
133.10152	5.2
135.08075	1.7
135.11690	14.7
137.06010	1.5
137.09570	1.4
137.13252	6.3
139.03813	0.9
141.09088	0.9
142.07755	1.2
143.08540	3.1
145.06476	2.0
145.10118	4.1
147.08040	1.5
147.11650	3.0
149.09660	1.6
149.13269	10.3
151.11169	1.8
155.08589	1.8
156.09323	1.1
157.10100	3.3
158.10555	0.8
159.08073	2.8
159.11687	3.0
161.05975	3.7
161.09596	2.5
161.13321	2.2
163.07567	0.9
163.11128	1.5
163.14832	2.4
165.12723	1.7
166.07680	0.9
169.10155	2.3
170.10834	1.1
171.08046	1.2
171.11775	4.3
173.06032	0.8
173.13342	2.5
175.14838	1.1
177.12744	1.7
177.16338	1.8
179.07100	1.1
181.10181	1.0
181.12190	1.2
183.11696	3.7
184.11969	1.0
185.09676	1.7
185.13240	2.0
186.13536	1.6
187.07634	1.1
187.11214	0.9
189.05545	1.1
189.09114	1.3
191.14319	1.5
193.12186	1.3
195.11746	1.2
195.13834	1.7
199.11212	2.3
201.12801	1.6
203.18016	1.1
205.15800	1.0
205.19453	1.3
209.09599	1.1
209.15338	1.5
211.11154	1.6
213.12732	2.2
217.08688	1.4
223.17055	0.8
225.08969	0.8
227.10709	2.3
229.12350	1.7
231.13881	1.3
235.14772	0.9
245.08174	2.6
247.14854	1.0
259.13278	1.1
287.12726	1.8
301.25333	3.1
305.13846	4.4
319.26328	100.0
320.26816	1.1
337.23654	1.5
337.27380	13.7
355.16992	0.8
355.28488	3.7
356.17648	0.8
387.14819	1.3
389.15738	4.1
399.51508	0.9
407.16953	3.8
420.18634	1.7
421.20181	1.9
438.20178	1.3
455.20285	1.1
549.21442	2.1
567.22205	2.8
585.23621	1.8
603.23676	1.5
638.29419	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84040	2.7
51.65061	2.7
53.03934	9.2
53.04453	3.3
55.01868	6.0
55.05268	4.7
55.05515	70.9
60.76735	2.9
67.05495	11.6
69.03407	6.7
69.07056	6.7
70.06562	3.3
71.55878	5.8
76.24748	2.7
79.05504	17.9
80.24325	3.8
81.03406	11.7
81.07051	22.7
82.02947	78.3
83.04987	100.0
84.04501	3.6
91.05481	23.3
93.07087	15.5
95.04957	9.4
95.08601	16.2
103.05476	18.5
105.03389	9.4
105.07033	25.0
107.04971	3.7
107.08578	14.7
109.06512	8.6
109.10131	8.3
115.05428	6.2
117.07024	19.0
119.08592	29.4
121.06478	6.5
121.10127	8.8
123.08070	5.3
128.06213	7.2
129.07030	15.9
131.04938	50.7
131.08565	18.4
132.08070	4.3
133.06491	14.9
133.10158	18.6
134.09666	5.1
135.08044	13.6
135.11685	3.3
137.05989	5.5
141.06990	6.5
142.07780	9.0
143.08575	19.6
145.06479	13.5
145.10112	15.5
147.08043	11.8
147.11668	3.4
149.09660	6.8
153.07018	4.0
155.08517	7.0
156.09340	12.4
157.06560	5.8
157.10127	30.3
157.73352	3.3
159.08075	19.9
159.11717	15.0
159.80901	3.5
160.07597	19.4
160.08762	4.8
161.05942	12.0
161.09631	12.3
162.09125	40.5
163.07625	5.1
163.11249	3.8
165.06935	4.7
166.07788	5.4
169.10109	13.1
170.10884	10.5
171.08066	10.7
171.11716	38.7
173.05986	6.8
173.09622	18.8
173.13225	7.6
174.09129	10.1
175.11137	6.1
176.10701	18.3
177.09096	6.2
179.08553	6.8
179.10704	4.6
181.10107	9.3
182.10869	6.1
183.08020	6.8
183.11710	31.5
184.12074	4.8
185.09653	5.8
185.13246	19.2
186.13773	3.9
187.07527	4.6
187.11162	8.8
188.07072	13.8
189.09164	4.3
193.10120	9.7
195.11647	12.9
197.09607	12.7
197.13239	8.1
198.10439	7.0
199.07494	4.2
199.11198	30.0
200.10623	4.5
201.09090	4.9
201.12718	7.0
203.14236	4.8
205.10252	4.2
206.10861	6.1
207.11754	10.0
208.12454	4.4
209.09637	5.1
209.13367	6.1
211.07617	4.4
211.11194	12.9
213.09102	3.7
213.12756	31.0
215.10719	6.8
217.12218	8.0
218.10806	6.1
219.08289	4.5
219.11732	5.2
220.12479	4.9
221.09764	4.7
221.13318	10.6
223.11194	8.1
226.12524	3.8
227.10658	8.6
229.10194	4.6
229.12384	3.5
231.11708	9.7
231.13803	15.6
232.12433	7.0
233.13206	12.1
234.14058	4.1
235.11287	3.9
235.14775	5.4
237.12685	4.8
238.13017	3.2
241.12155	5.9
242.11627	6.0
243.11835	6.9
244.12498	5.9
245.07802	4.3
245.13174	13.6
246.13991	6.6
247.11116	9.7
247.14755	11.0
248.12000	5.5
248.15445	4.6
249.12802	6.1
254.11772	5.0
257.13284	4.7
258.13928	4.2
259.12976	4.8
259.15161	7.4
260.11954	3.6
261.12735	9.7
261.16400	6.3
263.10889	3.1
263.14127	3.8
271.14737	7.2
273.16162	4.0
275.14255	3.7
283.14905	4.0
287.14230	7.7
289.15839	3.4
296.12076	4.2
301.15915	6.2
302.16238	4.6
319.26239	5.2
327.13779	3.7
330.18607	5.6
332.19916	4.9
337.24057	3.8
342.18439	11.3
344.16534	3.8
344.20233	5.0
356.19949	9.4
359.16461	4.0
360.19955	3.8
372.19534	16.5
374.21042	14.0
378.17126	3.5
384.19537	16.1
389.16138	5.7
390.20581	8.1
391.18954	4.8
392.22192	4.6
401.17334	4.3
402.20724	34.7
407.17203	6.5
408.21616	5.1
409.19839	4.1
419.18558	8.2
420.21750	66.6
421.20386	4.8
437.19489	23.0
438.23053	22.8
455.20465	16.3
456.23880	7.2
473.21527	9.4
520.27203	21.0
538.28003	71.4
567.21869	9.8
602.30432	4.4
603.25653	6.6
616.71851	3.7
620.32141	53.3
638.31299	10.6
639.29144	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
53.85240	1.1
55.05513	6.5
56.87315	1.0
57.07068	1.1
67.05502	5.2
68.54533	1.0
69.03435	7.5
69.07069	5.2
69.45992	6.1
71.04993	3.8
79.05502	7.9
81.03412	2.1
81.07059	9.1
83.04984	4.6
83.08617	1.7
85.06526	1.4
87.04486	6.5
91.05482	8.2
93.07029	10.1
95.04988	1.4
95.08612	12.3
97.06553	2.2
99.04463	12.2
99.08111	1.2
101.06062	2.1
103.05497	1.5
104.73175	1.2
105.07043	17.4
107.04978	1.7
107.08607	16.8
109.06525	3.7
109.10152	6.1
111.08078	2.7
113.05956	1.9
115.03953	2.7
115.05511	1.6
117.07008	5.8
119.08579	22.7
121.06528	2.3
121.10163	9.8
123.08105	1.6
123.11726	1.9
125.06007	1.7
126.36291	1.2
127.03934	10.1
128.06213	3.6
129.07027	5.5
130.07779	1.8
131.08575	13.9
132.70271	1.1
133.06471	2.7
133.10133	15.0
135.04468	1.2
135.07982	2.1
135.11708	4.3
137.06017	1.5
141.07033	4.2
142.07823	6.6
143.08566	20.9
145.04904	2.3
145.10135	18.9
145.11261	1.3
147.08051	2.3
147.11696	9.2
149.09628	2.9
151.07558	2.4
153.06963	2.2
153.09146	1.9
154.07784	1.4
155.08554	10.6
156.09370	6.1
157.10138	27.7
158.10832	1.2
159.08076	2.8
159.11716	17.5
161.09569	5.5
161.13274	5.0
165.07014	3.7
165.09120	1.8
167.08534	7.8
167.10722	1.8
168.09386	2.1
169.08679	2.4
169.10110	20.3
170.10912	3.5
171.08119	1.2
171.11703	19.0
173.09602	3.0
173.13271	6.8
175.07564	1.7
175.11269	2.8
177.09138	2.3
179.08583	5.0
179.10707	3.0
180.09351	4.4
181.10126	18.5
182.10922	5.1
183.08104	1.7
183.11690	25.2
184.12593	2.0
185.09673	1.5
185.13258	11.3
187.11185	2.6
187.14832	1.2
189.09015	1.3
189.12810	2.2
191.10706	2.4
192.09346	1.7
193.10156	12.7
194.10844	6.2
195.11693	27.1
196.12462	6.5
197.09622	2.4
197.13260	20.4
198.14023	2.7
199.11263	2.6
199.14891	5.4
201.12758	2.2
203.10645	2.7
205.10123	3.3
205.12279	4.0
206.10954	3.9
207.10065	1.3
207.11757	14.6
208.12469	4.0
209.10010	1.2
209.11465	2.0
209.13278	26.5
210.14046	4.3
211.11282	3.3
211.14824	18.0
213.09000	1.2
213.12695	3.6
213.16435	2.6
215.10666	2.6
217.10188	2.7
217.12292	6.6
218.10945	1.9
219.11775	6.4
219.13666	2.1
220.12454	3.7
221.13303	17.0
222.14056	4.8
223.11214	3.2
223.14825	37.4
224.15654	2.4
225.12862	2.4
225.16406	7.3
227.14389	1.8
229.12309	3.9
230.10841	1.8
231.11734	3.4
231.13881	4.4
232.12460	3.6
233.13385	8.5
234.14073	3.3
235.11221	2.0
235.14832	15.4
236.15561	2.9
237.12790	3.0
237.16385	11.1
238.17020	1.5
239.14256	2.4
239.17921	7.5
241.12216	3.8
243.13844	2.8
244.12549	1.2
245.13235	3.8
246.14043	3.5
247.14844	11.3
248.15704	1.4
249.12938	1.4
249.16324	5.6
250.17253	1.8
251.14374	3.1
251.18059	4.1
253.12325	2.3
253.15942	1.6
254.20366	2.1
255.13832	4.4
257.15442	2.7
258.14322	1.4
259.14835	2.5
260.15549	1.4
261.12653	1.4
261.16400	5.1
263.14420	5.0
263.17990	9.8
265.12485	1.3
265.16165	6.9
265.19498	12.5
267.13809	2.9
267.17426	1.2
269.15460	5.2
273.16553	1.7
275.14352	2.2
275.18033	2.1
277.15823	2.2
277.19461	1.3
279.17590	2.5
279.21054	4.4
281.15399	4.6
283.16937	8.6
283.20615	3.0
287.18045	1.4
289.16116	1.5
289.19476	4.2
291.17490	3.8
292.78223	1.2
295.16757	1.2
297.14828	1.3
299.19995	1.4
305.15518	1.5
305.18933	12.4
307.17209	2.3
307.20462	12.1
309.14624	1.5
309.18460	1.5
311.16199	2.8
319.17282	1.4
323.16626	2.2
323.20010	10.7
325.18295	3.9
325.21606	100.0
326.22040	1.4
331.20377	3.0
333.18576	2.7
333.22177	2.3
337.17929	4.9
343.22626	2.8
349.21729	2.7
351.19543	3.8
357.22104	3.8
361.21454	1.5
365.25037	1.4
367.22745	3.9
375.23196	10.2
379.18658	2.0
379.23004	11.3
385.23895	5.8
387.18015	3.4
393.24286	8.2
397.19873	3.9
397.23792	5.1
403.22748	4.7
409.23724	3.4
411.25705	1.5
421.23776	20.2
427.24878	16.2
429.22720	32.1
439.24823	42.9
447.23834	2.2
457.25867	29.1
489.24869	21.6
499.26642	3.2
517.28040	1.3
603.27917	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
55.01860	11.7
55.05515	15.4
57.03428	4.8
67.05507	16.2
69.03411	9.3
69.07076	4.5
70.06580	4.9
70.06913	13.0
70.07267	4.1
71.87416	2.8
77.03938	4.1
79.05502	17.0
81.03426	16.5
81.07065	20.0
83.04993	14.6
85.02888	7.1
91.05492	26.1
93.07031	14.2
95.01350	2.8
95.04977	26.9
95.08604	10.5
97.02908	4.0
97.06565	3.8
97.10135	3.0
103.05470	6.7
105.03378	8.2
105.07042	41.2
107.04954	11.5
107.08575	8.8
109.02871	4.9
109.06530	19.7
109.10179	8.3
111.04453	6.6
115.05488	6.4
117.07010	14.0
119.04906	6.8
119.08587	19.4
120.08084	6.9
121.02910	5.0
121.06496	13.7
121.10154	3.5
123.08069	7.5
125.05981	7.1
128.06252	6.8
129.06981	10.7
129.54889	3.3
130.07797	2.8
131.04877	8.4
131.08586	23.9
133.06505	28.8
133.10121	11.7
135.04428	8.0
135.08035	11.4
135.11639	4.3
137.05992	17.0
139.03964	16.7
141.06946	7.6
142.07733	7.3
143.08582	25.4
145.06487	28.0
145.10114	19.2
147.08040	13.4
149.06001	7.7
149.09596	4.4
151.07588	6.7
153.05487	3.9
153.06963	3.1
155.08583	9.9
156.09326	7.6
157.06444	7.8
157.10158	18.2
158.07280	4.1
158.10892	5.3
159.04434	3.2
159.08064	34.6
159.11740	8.5
161.06006	45.1
161.09596	14.5
163.07582	8.0
163.11223	3.7
168.09348	3.5
169.06401	3.7
169.10117	9.9
171.08124	17.3
171.11700	18.2
172.12378	3.1
173.05995	9.1
173.09666	19.3
173.13316	15.6
175.07451	4.6
175.11214	3.8
177.09119	4.5
179.07051	20.7
181.10123	10.3
183.08037	7.1
183.11624	9.2
184.08946	5.7
185.05952	8.8
185.09601	14.4
186.10416	5.8
187.07552	8.8
187.11198	8.5
189.09085	14.1
189.12743	3.5
191.06979	4.0
195.11703	4.4
197.09662	15.3
198.10272	5.5
199.07512	11.4
199.11165	27.2
200.11807	5.5
201.09233	6.1
201.12773	43.3
203.10577	4.3
205.08611	11.6
209.09619	7.1
209.13248	4.0
211.07481	5.9
211.11122	5.4
212.08409	3.9
213.05531	5.3
213.09093	15.1
213.12761	6.7
215.10667	6.7
217.08627	22.9
217.12175	5.3
221.13165	4.3
223.11136	3.4
225.09091	16.2
225.12724	3.3
227.10698	44.4
229.12099	3.6
235.09631	13.1
237.12686	4.5
239.10661	5.1
241.08466	6.8
241.12131	3.5
243.10184	4.9
243.13812	4.0
245.08081	59.1
245.11739	7.7
249.11180	27.9
251.10641	3.8
255.10184	8.6
255.13765	4.0
265.12057	3.7
285.11188	5.8
287.12704	37.8
303.12534	5.8
305.13843	76.4
323.15247	3.0
329.13895	17.9
351.14337	7.2
359.15714	4.6
359.22787	3.2
361.16650	4.4
387.14496	12.0
388.15137	15.4
389.15964	100.0
403.18301	3.5
405.15762	6.6
407.17059	78.9
447.17847	8.0
463.19675	14.1
465.19031	15.7
476.27231	5.5
481.22668	22.5
483.20377	14.4
501.21295	6.7
507.19839	8.2
549.21320	24.8
555.21912	16.1
567.22308	42.7
585.23303	39.5
595.28534	3.2
603.24536	21.9
638.30048	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	637.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.2
55.01872	16.1
55.05274	3.4
55.05519	57.5
56.58432	3.3
67.05496	8.6
69.03434	4.1
69.07051	5.5
70.70564	6.8
70.70910	4.9
71.69483	2.8
78.59350	2.8
79.05490	12.3
81.03423	7.2
81.07056	5.5
83.04984	100.0
91.05490	30.7
93.07040	10.1
95.04982	7.5
95.08609	6.6
103.05460	13.7
105.03387	7.0
105.07058	20.8
106.03699	4.4
107.04974	6.5
107.08590	9.5
115.05460	8.0
116.06241	3.7
117.07019	17.4
119.08588	36.8
120.08945	5.8
121.06522	6.3
121.10132	4.3
128.06227	7.4
129.07027	24.2
130.07851	3.5
131.04964	19.4
131.08597	27.0
132.08940	3.4
133.06511	4.3
133.10168	17.4
135.08061	5.9
141.06972	8.1
142.07771	10.1
142.64726	2.6
143.08577	21.3
144.09232	3.1
145.06505	17.8
145.10153	20.0
146.07245	3.5
147.08067	70.2
148.08348	10.1
149.09651	5.0
155.08537	9.1
156.09325	12.6
157.10139	40.4
158.10492	3.5
159.08070	62.2
159.11693	18.2
160.08409	10.3
160.11989	3.2
161.09639	40.0
163.07585	20.4
163.08745	3.6
164.07947	6.3
165.06992	3.3
167.08600	3.4
168.09253	3.4
169.10135	18.7
170.10751	6.1
171.08122	14.6
171.11697	51.0
173.06075	3.5
173.09631	23.7
173.13242	3.2
175.07550	10.4
177.73735	3.2
181.10083	6.5
183.08115	4.5
183.11734	24.4
184.11977	4.4
185.09654	18.6
185.13326	28.4
185.72086	3.3
186.10065	3.3
187.07567	4.7
187.11192	10.7
192.09279	3.6
193.10146	3.8
195.11717	8.2
197.09532	7.6
197.13274	9.2
199.11134	20.7
201.12639	8.3
202.13164	3.5
207.11694	8.4
209.09711	4.5
209.13075	3.3
211.11237	6.8
213.09145	5.8
213.12740	27.6
215.14330	3.2
217.10222	3.5
217.12312	8.5
221.09856	3.4
221.13208	3.9
223.11333	6.1
229.12230	10.1
231.13779	11.4
235.11290	3.9
237.12677	4.9
241.12320	4.5
243.13806	10.0
244.12392	4.5
245.15384	17.5
246.10452	4.3
247.11153	3.5
249.12744	4.8
251.14275	3.6
258.10565	4.3
258.13849	4.7
261.08884	3.8
261.12595	5.3
263.16489	8.5
271.14905	3.3
273.12387	6.2
273.14957	12.8
274.12918	3.6
275.14139	4.2
283.11072	3.5
286.13342	4.4
287.14651	4.4
287.17914	3.6
288.15277	3.4
289.12057	4.8
289.15457	3.0
291.16077	6.0
299.14362	5.0
301.15887	6.4
303.17279	5.1
305.18970	8.0
313.15756	4.3
315.17331	9.3
317.18951	4.3
323.20160	5.7
327.17401	11.2
329.15176	4.8
329.18890	4.8
341.18915	6.3
343.16727	4.8
345.18427	7.4
357.18570	8.1
359.19916	8.9
363.19382	5.0
369.18607	6.3
375.19446	3.9
387.19690	15.4
389.21078	6.0
391.22156	6.5
401.21082	13.0
405.20398	11.3
419.22354	26.1
437.23218	26.8
505.25705	3.9
523.26776	4.5
537.28619	7.1
605.31006	6.8
619.32202	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	637.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.7
55.01878	13.9
55.05274	3.9
55.05515	57.5
55.05781	3.0
58.43948	1.7
60.07529	2.1
65.98416	1.7
67.05485	3.8
69.03438	2.4
69.07063	4.0
69.29338	16.5
79.05492	6.8
81.03417	7.7
81.07043	3.8
83.04987	100.0
84.14319	2.0
91.05479	20.3
93.07045	6.8
95.04961	5.5
95.08602	4.2
98.21444	4.0
103.05468	3.7
105.07034	11.9
107.04969	5.3
107.08604	4.6
109.06492	3.6
109.10203	2.0
115.05496	10.0
117.07011	12.2
119.08590	23.2
121.06516	3.6
121.10123	2.7
128.06247	9.1
129.07011	15.9
131.04987	3.5
131.08569	18.6
133.06462	2.8
133.10126	15.8
135.08037	5.3
141.07036	4.7
142.07791	8.3
143.08565	22.0
144.05717	3.6
145.06491	14.3
145.10121	13.7
147.08052	54.2
149.09641	5.1
155.08545	6.7
156.09380	12.1
157.06444	2.7
157.10146	28.3
158.07274	2.4
159.08072	59.8
159.11711	13.2
161.09634	33.3
161.13237	2.3
163.07533	11.1
165.07013	3.0
167.08499	2.6
168.09261	1.9
169.10179	10.5
170.10893	7.1
171.08131	10.1
171.11703	43.5
173.05899	2.2
173.09657	17.8
173.13350	5.2
175.07501	7.1
175.11172	4.7
179.08635	3.6
179.10663	4.4
181.10147	4.3
183.08073	2.4
183.11699	19.8
185.09656	12.7
185.13251	35.8
187.07555	3.5
187.11143	10.9
189.01392	2.1
189.09090	4.6
189.12791	4.4
189.45805	2.3
191.10675	2.2
193.10126	4.5
193.12094	1.9
195.11682	3.7
197.09604	7.5
197.13271	5.8
198.10382	3.1
199.11197	17.2
200.11945	2.3
201.12772	6.1
203.10580	2.9
203.14301	3.1
205.12209	3.1
206.10951	2.0
207.11732	5.6
209.09724	3.0
209.13199	2.6
211.11157	5.5
213.09224	3.2
213.12747	30.7
217.10339	2.5
217.12286	8.0
223.11319	2.9
223.14833	2.4
225.12639	3.2
227.10562	2.8
229.12286	6.2
231.09955	2.4
231.11961	2.2
231.13719	9.9
233.13266	3.5
233.15369	4.4
237.12703	4.1
239.10638	2.8
241.12239	5.9
243.13760	5.4
244.12511	2.7
245.09483	2.3
245.13332	3.1
245.15373	18.5
247.11270	3.3
249.12784	4.2
255.13911	3.1
257.13269	2.5
258.14014	2.5
259.10876	2.8
259.13297	5.3
261.12735	3.5
263.16467	5.5
269.13235	3.2
270.13675	2.6
271.14670	2.9
273.15024	13.8
275.14157	2.6
279.13882	2.1
285.12717	6.1
286.13400	3.3
287.14270	4.6
291.15857	8.9
297.12714	4.3
299.14334	4.2
301.15790	6.1
311.14053	2.5
312.15039	3.6
313.15820	4.4
315.17477	9.0
317.15207	3.3
317.18985	4.6
327.17487	10.0
329.15268	4.9
329.18994	3.9
331.20648	3.3
341.18912	7.3
345.18433	5.8
357.18674	3.5
359.19989	8.1
361.18082	3.1
363.19601	4.0
369.18652	4.7
387.19443	10.6
389.21097	5.6
391.22577	6.1
401.21118	8.7
405.20593	10.6
419.22202	24.9
423.21350	2.1
437.23297	28.5
505.25830	3.7
519.26990	3.6
537.28461	4.6
605.31500	3.1
619.32178	6.9
637.29730	14.1
668.88287	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	637.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.01876	8.3
55.05516	33.1
64.00197	1.0
66.90926	1.0
67.05518	2.5
69.03442	3.6
69.07079	1.3
69.26546	7.0
69.26950	2.5
71.21350	1.2
74.09713	1.1
74.90602	1.1
79.05483	3.4
81.03450	5.4
81.07056	2.8
83.04990	66.7
89.96705	1.3
91.05493	12.4
93.07041	4.3
95.04988	5.6
95.08629	2.2
103.05499	3.7
103.63041	1.1
105.03407	1.1
105.07042	9.9
107.04975	1.7
107.08601	4.0
109.06488	2.2
115.05472	4.7
116.06343	1.3
117.07024	11.3
119.08595	13.7
121.06618	2.6
128.06239	4.2
129.07021	9.1
130.07803	1.2
131.04959	4.4
131.08580	11.3
133.06480	2.5
133.10164	9.4
135.08061	2.9
135.61320	1.2
141.07019	3.7
142.07777	7.8
143.08577	9.8
145.06538	9.5
145.10138	9.8
147.08054	33.8
147.11708	2.1
149.09631	3.5
153.07048	1.5
155.08611	3.7
156.09384	8.1
157.10150	15.5
158.07329	3.2
159.08075	37.8
159.11728	8.9
161.09618	21.9
161.13248	1.7
163.07570	6.0
165.06964	1.8
166.07832	1.4
167.08597	1.8
168.09430	1.3
169.10133	6.0
170.10928	4.6
171.08128	7.0
171.11716	23.8
172.08893	1.3
173.05974	1.7
173.09624	14.2
173.13278	3.7
175.07564	3.7
175.11218	2.4
179.10669	3.3
181.10152	3.1
183.08054	2.2
183.11723	12.0
185.09615	10.2
185.13263	18.7
187.07573	2.1
187.11198	6.9
189.09145	2.9
189.12764	2.0
191.10713	2.6
193.10167	2.7
195.08095	1.4
195.11731	4.9
196.08907	1.1
197.09694	4.5
197.13304	4.4
198.10416	1.8
199.11174	12.7
201.12793	2.8
203.10544	1.4
203.14354	1.7
205.12263	1.9
206.10944	1.6
207.11681	3.6
209.09622	2.7
209.13313	1.7
211.11310	3.6
213.09158	3.1
213.12750	21.4
215.10757	2.0
215.14256	1.5
217.10324	1.5
217.12294	3.8
219.13887	1.4
221.09656	1.5
221.13516	1.5
223.11261	4.1
223.14842	1.8
225.12648	1.4
229.10197	1.7
229.12332	3.6
231.13692	6.6
233.09604	1.6
233.13385	2.7
233.15414	2.8
235.11320	1.9
235.14835	2.0
237.12819	1.8
239.10724	2.4
241.12357	2.6
243.11765	1.8
243.13971	3.3
244.12434	1.7
245.09651	1.4
245.15425	12.7
246.14217	1.3
247.11108	1.5
247.13251	1.9
249.12769	1.7
249.16655	1.3
251.14427	1.9
255.11620	1.4
257.13480	1.6
258.14096	1.8
259.11032	1.7
259.13351	4.0
260.11926	1.9
261.12692	2.1
261.14902	1.3
263.14218	1.8
263.16617	2.5
268.12546	1.3
271.14920	1.5
273.14835	12.2
275.14325	2.5
283.14825	1.8
284.15646	1.2
285.12964	1.7
286.13547	1.6
287.14386	3.1
287.17703	1.5
289.12387	1.9
289.15646	1.6
291.16049	4.9
293.15472	1.5
297.12650	1.9
299.14371	2.6
301.15933	2.1
303.17371	2.0
305.15421	1.4
306.14023	1.2
311.14392	1.9
312.15115	1.8
313.12503	1.4
313.16058	2.6
315.17535	4.4
317.15378	1.7
317.18866	2.7
327.13919	1.8
327.17493	6.1
328.14685	1.5
329.15506	2.8
329.18707	2.3
341.19025	5.3
342.16489	1.6
343.17053	2.1
345.14957	1.5
345.18643	4.5
354.16025	1.3
357.18527	4.2
359.20068	4.9
361.18106	2.4
363.19720	1.9
369.18896	3.9
375.19733	2.0
387.19507	10.3
389.21252	4.9
391.22717	3.2
401.21204	7.5
405.20547	7.3
407.22284	1.3
419.22144	18.6
437.23306	18.9
449.28867	1.1
459.21454	3.4
477.22644	6.8
505.25894	2.7
519.27692	1.5
523.27032	1.3
537.24969	3.5
605.31232	3.8
619.32568	2.6
637.29883	100.0
638.29956	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	637.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56273	2.9
53.03946	4.8
55.01879	19.5
55.05514	38.3
67.05492	4.9
69.03452	5.3
69.52218	21.1
79.05496	13.5
81.03415	11.8
81.07059	4.3
82.77679	2.7
83.04986	73.4
91.05495	31.2
91.52861	3.0
93.07049	10.3
95.04996	15.2
95.08601	8.9
97.06527	2.8
98.20753	5.9
103.05443	4.4
105.07047	31.6
107.04935	7.9
107.08610	10.6
109.06531	7.2
115.03938	6.3
115.05492	13.9
116.06242	3.3
117.07028	20.7
119.08603	37.5
121.06531	7.2
121.10166	4.0
128.06230	9.9
129.07018	22.8
130.07805	5.8
131.08574	20.9
132.05716	3.6
133.06529	6.5
133.10136	42.2
135.08070	9.0
141.06969	6.8
142.07799	13.1
143.08597	26.2
144.09384	4.6
145.06519	22.3
145.10147	24.4
145.76837	3.0
146.07243	5.3
147.08061	100.0
147.11761	3.1
149.09641	12.0
153.06996	4.5
155.08562	11.8
156.09386	18.7
157.10147	42.6
158.07266	5.0
159.08061	35.3
159.11693	21.2
161.05881	3.4
161.09633	58.0
163.07555	51.4
163.11270	6.1
165.07048	4.3
167.08578	5.7
168.09438	3.6
169.10155	19.1
170.10846	15.6
171.08073	8.2
171.11699	80.7
172.08855	3.8
173.05945	8.0
173.09627	28.5
173.13324	5.0
175.07571	12.5
175.11169	6.4
175.14871	3.1
180.09373	4.5
180.39252	2.9
181.10188	9.0
182.10976	4.5
183.08167	4.4
183.11717	58.2
185.09631	23.8
185.13260	58.8
185.14868	5.1
187.07654	4.6
187.11192	15.0
189.09138	6.8
193.10156	3.8
195.11722	14.5
197.09645	11.3
197.13275	18.8
198.10501	5.3
199.07620	3.5
199.11226	31.8
200.12012	5.5
201.09082	15.7
201.12785	9.2
203.10638	5.6
205.12320	7.4
207.11797	6.7
209.09645	8.1
209.13216	3.3
211.11186	9.3
213.09270	3.1
213.12764	53.0
215.10646	7.3
215.14319	3.5
217.12308	4.7
219.11552	3.7
221.13277	6.1
223.11168	11.8
225.12721	5.6
227.10667	5.5
229.12195	7.2
231.13831	14.7
233.15433	4.6
234.14151	4.1
235.11227	4.2
235.15021	3.1
237.12708	6.9
241.12256	25.1
243.13748	9.0
244.12517	5.7
245.11497	4.7
245.15367	35.8
246.10381	3.9
247.15044	4.2
249.12717	4.0
251.14253	3.4
255.13831	16.5
257.15479	5.8
259.13162	24.0
261.12582	3.9
263.16513	4.0
272.11917	3.9
273.14822	42.9
275.14374	4.1
277.11636	3.3
277.15747	3.9
279.14105	3.1
284.15677	5.4
287.14096	3.2
289.15887	4.2
291.16019	5.4
297.12762	6.1
298.13565	5.4
299.14313	4.3
301.15845	4.6
305.15558	3.4
311.14249	4.1
312.15210	5.9
313.16040	6.8
315.17499	6.9
317.15497	4.4
317.19028	8.9
327.17361	17.6
328.18234	4.6
331.20419	4.0
341.19077	20.1
345.18558	16.8
357.18399	5.8
359.20169	17.0
369.18512	10.9
377.21442	3.6
387.19489	30.6
389.21100	9.2
391.22760	10.6
401.21158	34.0
405.20624	6.9
407.22180	4.1
419.22238	56.3
437.23224	10.8
484.16272	3.4
501.26273	4.6
505.25729	4.4
519.27338	9.9
523.26874	3.5
605.31085	10.2
619.32727	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	637.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01873	9.5
55.05516	55.5
57.03429	1.8
67.05508	2.9
67.69931	1.5
69.03436	2.6
69.07079	2.7
73.40194	1.4
79.05496	5.9
81.03422	6.5
81.07063	3.6
83.04988	100.0
91.05488	27.7
93.07049	4.9
95.04954	7.2
95.08594	2.9
97.06544	1.9
98.21525	2.7
103.05435	2.7
105.07043	16.4
107.04964	4.5
107.08589	4.6
109.06483	3.4
115.05450	8.1
116.06190	2.6
117.07028	14.5
119.04900	1.8
119.08582	19.2
121.06489	3.8
121.10167	2.5
122.17765	1.6
124.63739	1.6
128.06253	6.0
129.07013	15.6
130.07791	2.2
131.04939	2.6
131.08566	20.3
133.06505	2.7
133.10136	11.8
135.08075	5.2
137.09570	1.6
141.07013	3.9
142.07787	8.4
143.08577	15.4
145.06500	14.5
145.10135	15.0
147.08057	50.3
149.09639	5.0
153.06941	2.0
155.06027	1.6
155.08560	5.9
156.09367	11.0
157.06482	1.5
157.10132	23.5
158.07285	3.0
159.08063	52.8
159.11676	11.5
160.08714	1.5
161.09625	36.2
161.13290	2.1
163.07536	8.4
163.11211	2.5
165.07008	2.7
166.07776	2.8
167.08612	2.5
168.09303	1.6
169.10123	11.4
170.10936	4.7
171.08037	10.0
171.11708	32.1
172.08859	3.1
173.05963	3.1
173.09628	20.9
173.13281	4.6
175.07512	4.8
175.11201	5.8
179.08582	1.8
179.10672	4.6
181.10118	3.4
183.08057	3.8
183.11717	18.2
185.09634	14.6
185.13257	26.6
187.07690	1.7
187.11168	8.5
189.09123	3.5
189.12775	3.6
191.08698	1.7
191.10643	3.4
193.10135	4.2
194.10947	1.9
195.11694	5.2
196.08914	1.8
197.09650	6.1
197.13278	3.3
198.10551	2.7
199.11186	14.2
201.09044	1.7
201.12761	5.6
203.08730	1.9
203.10701	2.9
203.14375	2.5
205.12320	3.4
207.11694	5.1
209.09735	3.3
209.13306	1.8
211.11212	6.1
213.09128	4.4
213.12747	33.7
215.10713	1.8
217.10359	1.8
217.12228	7.6
221.13309	3.7
222.94299	2.2
223.11136	3.7
225.12807	2.2
227.10834	2.0
229.10214	2.7
229.12312	6.8
231.09995	1.9
231.11871	2.3
231.13657	7.9
233.09651	2.4
233.13432	2.3
233.15419	3.6
235.11229	2.6
237.12778	3.2
239.10628	4.7
241.12274	5.3
243.11594	3.8
243.13873	5.9
245.13255	1.6
245.15382	15.6
249.12805	2.5
251.14264	2.8
255.13963	1.8
257.13397	1.8
259.13135	7.3
261.12784	4.2
263.16498	3.8
271.11002	1.6
272.11859	3.1
273.12521	2.6
273.14917	18.1
274.13571	2.1
275.14377	3.1
277.12006	2.3
285.12711	3.6
286.13614	3.2
287.14423	3.6
289.12271	3.3
289.15723	2.1
291.15945	5.8
296.11926	2.1
297.12717	3.2
298.17062	2.0
299.14276	3.3
300.15286	2.0
301.15881	6.0
303.14133	2.3
303.17310	2.6
310.13403	1.9
312.14786	1.8
313.15784	3.0
315.14212	2.6
315.17337	8.7
317.15466	3.1
317.19058	5.1
327.13803	2.4
327.17371	10.7
329.15323	4.2
329.18875	3.6
333.18369	2.0
341.18997	9.1
343.17136	2.2
345.14883	2.1
345.18631	6.0
353.98386	1.7
357.18558	5.0
359.16220	1.9
359.20123	9.8
361.18008	2.6
363.19418	2.7
369.18295	7.8
375.19641	2.2
377.21078	1.7
387.19595	15.8
389.21109	6.0
391.22604	6.3
393.19699	1.7
401.21124	10.1
405.20593	15.0
407.21817	1.7
409.23267	1.7
419.22186	23.1
432.61700	1.6
437.23242	29.5
505.25369	1.9
519.27460	3.7
523.26672	3.9
537.28387	4.4
575.53070	1.6
605.30865	4.7
619.32550	6.5
637.25916	2.4
659.38263	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01876	13.4
55.05518	67.4
64.68619	1.8
67.05505	3.7
69.03410	4.8
70.05235	2.0
76.94345	1.8
79.05486	6.1
81.03415	9.1
81.07040	4.0
83.04987	100.0
91.05488	26.4
93.07038	8.1
95.04975	9.0
95.08588	2.0
105.07040	18.3
107.04963	5.3
107.08639	3.6
107.78560	2.1
109.06506	2.9
115.05476	9.9
116.06242	4.8
117.07022	15.1
119.08595	20.9
121.06507	2.2
121.10152	3.5
128.06236	7.4
129.07027	19.0
131.04939	3.8
131.08591	22.5
133.10170	13.8
135.08049	6.3
137.70967	2.0
141.06989	4.3
142.07803	6.9
143.08565	17.2
144.05678	2.3
144.09377	2.6
145.06470	10.5
145.10138	13.1
147.08049	60.2
147.11699	2.2
149.09604	6.7
153.07031	2.8
154.07678	2.1
155.08519	4.0
156.09384	16.1
157.10149	29.8
158.07297	3.4
159.08078	60.5
159.11665	14.7
161.09618	34.9
163.07565	7.0
165.06995	5.1
165.33551	2.2
167.08607	3.5
168.09348	3.3
169.10118	10.5
170.10886	5.9
171.08073	10.3
171.11691	41.6
173.05937	4.5
173.09671	17.9
173.13240	4.2
175.07571	6.2
175.11159	5.0
179.08519	2.9
179.10648	2.9
181.10098	4.7
183.08105	5.1
183.11684	17.3
185.09624	14.0
185.13255	31.9
187.11194	9.7
189.09073	2.0
189.12747	2.4
193.10156	3.0
195.11655	3.5
197.09633	7.0
197.13281	4.4
198.10457	4.9
199.11168	17.5
201.12849	4.3
203.14485	2.2
205.10149	3.7
207.11676	4.6
209.09604	4.3
209.13316	2.3
211.11272	4.6
213.12753	28.4
215.10641	4.8
215.14320	3.0
217.10281	2.9
217.12230	9.2
217.49890	1.9
219.11792	2.7
219.23033	2.2
221.13182	3.6
223.11185	5.1
225.12672	2.6
227.10542	3.0
229.10220	3.0
229.12305	6.0
231.09952	3.2
231.11902	3.6
231.13794	14.0
233.15370	3.2
235.11189	2.4
237.12654	2.7
241.12227	4.6
243.11638	4.9
243.13846	4.9
244.12511	3.0
245.13287	2.3
245.15413	21.6
247.10989	3.6
247.13303	2.7
249.16252	2.8
253.10007	2.3
257.13229	2.8
258.10699	2.0
258.13998	2.5
259.11032	2.8
259.13394	8.7
260.11938	2.9
261.12601	4.0
261.15109	3.1
263.16479	5.5
269.13263	2.4
270.10431	2.2
270.14130	2.4
271.14893	2.8
273.12418	2.9
273.14828	22.1
285.12711	5.6
287.14490	3.4
289.12219	2.8
289.15881	4.3
291.16006	8.3
297.12799	5.3
299.14172	4.2
299.18079	2.4
301.15723	5.0
302.16660	3.1
303.17331	3.3
312.14853	3.8
313.15765	3.1
314.12726	2.8
315.17416	5.8
317.15509	3.9
317.19006	5.2
323.20248	3.3
326.16635	2.8
327.17438	8.1
329.15442	5.9
329.18930	3.6
331.20657	3.5
333.18689	2.5
341.18936	8.4
343.16956	4.7
345.14664	3.8
345.18512	7.9
357.18427	6.0
359.20242	10.5
361.17838	2.6
369.18381	6.1
375.19495	3.0
377.21255	3.7
387.19595	16.7
389.21155	6.2
391.22894	4.7
401.20996	11.9
405.20499	18.8
419.22247	35.1
437.23257	37.5
501.26639	3.2
505.25961	5.1
519.27423	2.6
537.28461	7.6
594.04950	2.3
605.30908	5.2
619.32391	6.5
637.33740	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98135	0.2
55.05500	0.3
67.05509	0.5
69.07076	0.2
76.86404	0.2
79.05495	0.4
80.58690	0.2
81.07048	0.2
83.08646	0.3
91.05505	0.3
93.07065	0.3
95.08611	0.3
98.21601	0.3
121.10110	0.3
173.08035	0.2
223.12383	0.3
227.41006	0.2
231.88087	0.2
387.16342	0.2
388.17239	0.2
389.17792	0.4
391.19440	0.6
400.16867	0.3
401.17868	0.7
402.18628	0.5
403.19409	1.3
404.20129	0.7
405.20810	0.7
406.21671	0.4
413.17880	0.2
414.18692	0.3
415.14371	0.3
415.19702	1.6
416.20154	0.7
417.16321	0.4
417.21469	2.1
418.22025	0.4
419.22641	1.8
420.23199	0.6
429.16879	0.7
429.21133	0.9
430.17261	2.3
430.22812	0.4
431.18161	3.7
431.23676	0.4
432.18835	0.6
432.24240	1.5
433.19720	1.0
435.21790	0.3
443.18112	2.2
444.18982	2.7
445.20154	12.0
446.21341	2.5
447.22662	1.0
457.20358	1.0
458.21002	9.7
459.21854	6.6
460.22864	7.0
461.19498	4.2
462.20691	0.8
463.20691	0.3
471.22211	0.3
472.22827	0.4
473.24026	0.5
475.21277	2.3
476.21973	1.6
477.22995	2.2
485.23773	0.3
486.24863	0.4
487.25174	0.5
489.18631	0.3
489.23236	0.8
490.24335	0.4
491.24973	1.9
503.21002	1.0
504.26123	1.1
505.22757	1.2
507.24045	0.3
513.22565	0.4
517.21722	1.8
518.23071	6.1
519.23889	0.5
521.23712	0.2
530.23138	0.7
531.23999	1.2
532.24634	0.7
533.25708	3.9
535.23468	2.3
545.25610	3.1
546.26453	2.6
547.26740	0.9
549.24933	1.2
560.24719	0.4
562.25677	0.5
563.23456	0.9
573.25128	1.4
577.28448	4.0
578.26385	0.2
590.25323	0.8
591.26239	0.3
592.26782	0.8
602.45160	0.3
605.27655	17.9
606.28375	1.5
637.30243	100.0
638.30591	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	637.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36359	0.5
69.33263	2.7
69.33671	1.0
98.21455	0.9
131.88025	0.4
389.18542	0.6
390.18399	0.6
391.19153	1.8
392.20065	1.6
399.15787	0.7
400.16852	1.6
401.17661	1.6
402.19324	0.9
403.19650	1.1
404.20822	1.3
405.20657	3.7
406.21490	4.9
413.17661	1.5
414.18283	1.7
415.19128	3.5
417.21066	1.6
418.21814	0.8
419.22501	1.4
420.23154	4.2
421.23907	8.8
427.19278	1.7
428.20221	2.3
429.20886	9.9
430.21567	2.1
431.17990	0.8
431.22858	0.8
433.19724	1.4
433.24249	1.5
434.24857	0.9
442.21707	1.4
443.16693	0.6
443.22464	7.7
444.23370	4.9
445.19760	2.8
446.21060	1.1
447.17953	1.3
455.18564	1.0
456.19366	1.3
457.24976	3.9
458.25089	5.2
459.22031	6.8
460.22806	4.6
461.19537	6.8
470.21021	1.1
471.22345	2.3
472.22626	6.0
473.19611	1.7
473.24347	0.9
475.21231	1.8
476.21970	5.2
477.26703	0.7
485.16891	0.8
485.23459	10.5
486.20563	1.6
486.24152	3.3
487.21524	1.7
488.22049	4.0
489.22726	0.8
491.24393	0.6
498.38092	0.5
499.21359	1.3
500.22055	1.3
502.23865	1.2
503.24472	14.8
505.22137	0.8
513.22626	2.9
514.23584	1.7
517.25983	7.6
518.23029	0.6
520.23663	0.6
529.25958	2.2
530.22711	0.7
535.27106	19.0
545.25525	65.8
546.25629	2.1
549.24664	0.7
563.26465	4.7
573.25012	14.7
577.27966	1.2
605.27594	61.2
606.28113	1.4
637.30231	100.0
638.30481	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	637.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.2
57.07069	0.4
67.05503	0.3
69.33457	1.6
69.51323	0.2
79.33739	0.2
81.07071	0.5
91.05471	0.3
95.08631	0.3
105.07009	0.2
107.08577	0.2
108.61633	0.2
109.10190	0.3
118.06571	0.3
119.08676	0.2
120.08135	0.7
129.07057	0.2
146.06033	0.5
168.08081	0.3
197.10725	0.3
204.06667	0.2
207.09204	0.3
209.10829	0.7
210.11552	0.6
211.12387	0.4
214.16335	0.2
221.10605	0.2
223.12404	0.7
224.13243	0.8
225.10341	0.6
225.13972	0.6
235.08806	0.3
235.12405	0.3
236.13116	0.2
237.10297	0.5
237.13940	0.8
239.11826	0.3
239.15555	0.2
249.10229	0.5
250.11316	0.3
251.08211	0.6
251.11864	0.4
253.13435	0.3
263.11969	0.3
265.13528	0.5
274.13632	0.2
283.10944	0.3
302.12897	0.3
311.14087	0.7
313.27393	0.3
314.13077	0.2
327.13681	0.3
328.14371	0.5
338.12891	0.3
340.14410	0.4
342.16074	0.5
352.14532	0.4
368.13885	0.3
370.15662	0.4
374.15054	0.2
377.18033	0.3
389.17609	0.5
390.18283	0.8
391.19385	0.6
392.20078	0.3
401.17783	0.3
403.19348	0.6
404.20065	0.6
405.16257	0.4
405.21347	1.5
407.22495	0.7
416.20242	0.5
417.17230	1.2
417.21396	0.8
418.17181	1.0
418.22684	0.3
419.17984	1.9
419.23242	0.6
420.23355	0.9
421.23932	0.5
429.21271	0.3
430.17841	0.5
431.18234	1.1
431.23746	0.3
432.18939	1.0
433.19958	3.0
434.21106	0.9
435.21945	0.6
443.18484	0.4
444.19464	0.9
445.20761	1.9
446.21835	1.0
447.22412	2.3
448.22812	2.7
449.23495	0.4
458.21201	0.4
459.22171	4.4
460.23331	1.9
461.18817	1.8
462.20700	0.3
473.19412	0.4
474.20288	0.5
475.21152	4.1
476.22064	5.5
477.23267	1.1
487.21072	0.3
489.23035	1.0
490.23532	0.4
491.24545	1.0
493.22134	0.4
502.23877	0.4
503.25534	1.3
504.21442	0.3
505.22620	0.8
507.23752	0.4
519.23853	1.5
521.26068	2.0
525.41736	0.3
530.22986	0.3
531.23877	1.0
533.21967	0.8
534.26501	1.8
535.26666	1.3
545.25580	2.4
546.26501	1.7
547.24353	1.7
549.25238	0.7
561.25067	1.7
562.25739	5.4
563.26575	9.0
565.24915	0.3
573.25049	0.7
577.28253	7.9
579.26147	1.2
590.25214	0.4
591.26196	0.6
593.26208	0.5
594.28217	1.5
605.27692	2.0
606.28528	1.8
607.25610	0.7
621.27136	1.6
622.27637	2.1
637.30249	100.0
638.30634	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	637.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
67.89311	0.3
69.33281	1.5
69.33681	0.8
103.71063	0.3
108.90137	0.3
195.09155	0.4
197.10670	0.6
198.11479	0.3
209.10828	1.0
210.11569	0.8
211.08867	0.5
211.12360	1.0
221.10873	0.4
222.11519	0.6
223.12303	1.8
224.09624	0.4
224.13100	1.6
225.10272	1.1
225.13902	0.9
226.14670	0.3
235.12334	0.5
236.13112	0.3
237.10278	1.0
237.13797	1.8
238.14642	0.6
239.15518	0.7
249.10222	0.5
250.11078	0.6
251.08261	0.7
251.11887	0.7
253.13382	0.3
265.13431	0.9
266.14276	0.5
275.15503	0.4
277.09790	0.4
283.10806	0.5
296.11734	0.3
300.15030	0.3
311.14182	0.5
349.50003	0.3
366.20914	0.3
390.18274	0.3
391.19315	0.5
403.19312	0.8
404.15643	0.4
404.23654	0.5
405.21103	1.4
417.17221	1.1
418.18112	0.9
419.18207	1.7
431.18259	1.3
432.19547	1.4
433.20004	3.0
434.20782	0.3
445.20441	0.9
446.16913	0.5
447.22824	2.0
448.23334	1.5
459.22592	1.8
460.18631	0.6
461.19031	2.6
462.20221	0.4
463.21289	0.4
473.19791	0.4
474.20511	0.8
475.20966	4.9
476.22110	11.1
477.23038	1.4
487.20712	0.6
489.23468	1.4
491.24576	0.8
493.22186	0.6
502.23804	0.6
503.24292	1.0
504.21472	0.4
505.22571	0.7
507.23541	0.5
508.24634	0.4
515.20905	0.4
519.24396	1.6
521.21814	0.9
530.23047	0.8
533.22559	1.1
534.26172	1.2
535.24152	1.3
536.24237	0.4
545.25452	2.0
547.22797	3.2
548.24158	0.6
549.25012	1.2
551.26416	0.6
561.23059	0.6
562.25812	12.0
563.26501	5.0
565.24200	0.4
577.28082	5.1
578.28833	0.4
579.26196	1.8
590.25659	0.6
593.24341	0.8
594.28284	0.6
605.27527	0.8
606.27960	0.5
607.25195	0.5
608.26074	0.4
622.27826	2.2
637.30219	100.0
638.30115	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	637.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76273	1.3
52.71898	1.1
53.03947	3.8
55.01872	3.8
55.05514	64.7
57.03433	1.4
65.03957	1.4
67.05515	9.8
69.03433	5.5
69.07086	2.7
71.04982	1.8
76.68679	1.2
79.05497	7.0
81.03436	8.8
81.07061	5.8
83.04987	100.0
83.08625	1.8
84.08170	1.2
85.02921	2.8
91.05486	13.6
93.07054	8.5
95.04980	8.0
95.08608	4.1
97.06528	1.8
103.05489	4.0
105.03400	12.3
105.07040	15.1
107.04968	2.8
107.08628	4.1
109.02833	1.5
109.06564	3.3
109.10180	3.4
114.60426	1.1
115.05447	11.6
117.07029	19.7
119.04984	1.8
119.08606	17.3
121.06502	3.6
121.10167	4.7
123.04452	1.8
123.08068	2.5
127.03918	1.4
128.06229	6.7
129.07016	8.5
130.07857	1.5
131.04936	7.1
131.08588	13.6
133.06519	4.1
133.10133	13.2
135.08035	5.7
135.11691	1.5
141.07045	3.8
142.07826	7.7
143.04955	2.3
143.08569	16.7
144.09398	2.0
145.06494	21.5
145.10147	13.3
146.10440	1.5
147.08098	7.5
147.11717	3.4
149.05994	1.4
149.09703	6.5
152.06250	1.3
153.07007	2.7
155.06123	2.0
155.07552	1.1
155.08522	6.9
156.09399	5.9
157.06557	4.7
157.10156	20.5
159.08081	9.3
159.11705	6.1
159.12877	1.2
161.06024	3.8
161.09628	8.6
163.07617	1.8
163.11227	6.6
165.07062	3.3
165.09151	3.7
166.07852	2.2
167.08626	4.2
168.09377	2.8
169.06522	1.5
169.10132	14.5
170.10950	7.8
171.08102	8.9
171.11699	29.4
171.13104	1.9
172.08861	1.7
173.05983	21.7
173.07349	1.9
173.09662	9.7
173.13301	2.7
174.06650	1.4
175.07567	2.7
175.11206	3.7
177.09187	2.1
178.07823	1.9
179.08632	4.3
180.09332	2.1
181.10190	4.2
182.10924	1.8
183.08130	7.3
183.11714	48.5
184.08942	1.9
184.12425	1.4
185.09677	10.9
185.13277	22.1
187.07585	1.6
187.11151	6.8
189.09148	1.4
189.12764	1.3
191.10712	2.2
193.10237	6.1
193.12070	1.3
194.10893	1.9
195.08174	3.0
195.11736	6.5
196.08917	2.0
197.09616	6.3
197.13257	6.4
198.10454	4.6
199.07681	1.8
199.11142	8.8
201.09171	3.4
201.12802	3.3
203.08818	1.2
203.10782	2.7
204.09372	1.8
205.10240	2.8
205.12239	3.1
206.10924	2.9
207.11713	6.4
208.12541	1.7
209.09579	5.7
209.13313	4.0
210.10382	2.0
211.07681	1.4
211.11198	12.6
212.12051	1.7
213.09230	2.6
213.12759	26.6
215.10707	4.2
216.09296	1.6
217.10266	1.9
217.12296	3.2
218.10992	2.9
219.11711	3.6
220.12442	1.9
221.09741	2.9
221.13290	5.0
223.11276	5.1
223.14893	4.3
225.09169	2.8
225.12801	3.8
225.53873	1.2
227.10825	2.9
229.10126	3.1
229.12405	3.8
230.10966	1.7
231.09978	2.8
231.11931	2.6
231.13933	3.9
232.12610	3.2
233.13327	3.7
234.10324	1.3
234.14110	1.4
235.11281	3.0
235.14999	2.4
237.12807	4.4
237.16467	3.9
239.10687	3.0
239.14247	1.9
241.10207	2.8
241.12373	7.0
243.11874	2.2
243.13843	8.3
244.12543	3.0
245.13290	4.5
245.15407	11.5
246.10019	1.4
246.14072	1.5
247.11200	2.6
247.14882	4.6
248.11844	1.5
249.09061	1.3
249.12891	4.1
251.14388	4.2
253.10094	1.7
255.14003	3.0
256.12564	2.2
257.09445	1.9
257.13620	2.2
257.15649	1.8
258.14285	2.2
259.11108	2.4
259.15027	4.2
260.12076	2.8
261.12811	2.9
261.16663	1.5
263.14389	2.2
265.15970	2.5
269.11404	6.1
270.10635	1.4
270.13959	2.3
271.11041	1.5
271.15036	2.7
272.12167	1.7
272.15704	1.7
273.12381	2.5
273.14838	18.2
275.14404	4.1
277.12283	1.8
279.14160	2.4
281.13373	2.2
282.14063	2.1
283.10706	1.8
283.13324	6.2
284.12045	2.2
285.12878	4.7
285.16541	2.6
286.13721	1.9
286.17334	2.4
287.11188	1.6
287.14398	5.4
287.17584	1.2
288.15024	1.4
289.12173	2.1
289.15723	2.3
293.15656	2.1
295.11154	2.2
296.12091	1.3
296.15652	1.8
297.12820	4.0
297.16507	3.7
298.13507	3.4
299.14349	8.1
300.15271	3.7
301.12180	2.5
301.15866	4.9
301.19470	1.4
307.17096	3.5
309.12820	2.2
310.13760	4.1
311.14270	2.1
313.12311	1.2
313.15985	4.9
315.14114	2.7
315.17560	7.4
317.12003	1.6
317.15442	2.1
319.16885	1.7
324.15247	2.6
325.15738	5.9
327.13779	3.4
327.17603	4.2
328.14673	1.4
329.15521	3.8
329.19141	3.0
331.17093	2.3
333.18057	2.9
337.18137	1.4
339.17593	5.5
343.16992	11.7
347.16275	1.7
355.17023	3.0
357.18478	12.2
359.16620	2.1
361.18076	4.6
365.17694	2.0
367.16858	3.1
373.18188	2.4
375.19812	2.3
379.19183	2.9
385.17819	9.3
387.19702	4.1
389.21298	3.5
391.19269	2.3
399.19342	6.4
401.17911	1.9
403.19156	2.0
407.18710	3.5
411.21951	2.3
413.21152	1.8
417.20673	24.4
419.18796	2.6
425.20291	2.2
435.21970	5.7
437.19315	2.6
439.22083	2.8
440.27466	4.6
457.23511	2.0
467.21545	2.5
475.27515	2.2
477.22894	7.5
485.23108	3.7
487.25229	2.5
499.24551	6.5
517.26062	5.4
537.24976	5.5
545.25787	1.7
559.26605	2.1
577.28052	4.5
595.29407	2.2
605.26904	8.6
619.27356	1.2
637.30145	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.0
53.03945	4.4
55.01873	2.8
55.05515	64.0
57.03450	1.5
65.03936	1.4
67.05502	7.7
69.03431	4.5
69.07057	2.4
69.19636	11.4
69.66797	1.0
71.04999	2.5
77.03925	1.1
79.05490	6.7
81.03429	9.3
81.07066	7.1
83.04986	100.0
83.08608	1.9
85.02926	1.8
91.05489	15.5
93.07052	6.2
95.04987	8.1
95.08606	4.3
97.02905	2.1
97.06511	1.1
99.04499	1.6
103.05477	11.8
105.03406	8.1
105.04527	1.0
105.07027	12.1
106.03722	1.8
107.04956	2.4
107.08599	5.8
109.06524	2.7
109.10176	3.4
111.04485	1.5
115.05463	9.2
115.34695	0.9
116.00059	1.1
117.07029	18.8
119.04955	1.8
119.08589	17.1
121.06532	3.3
121.10172	3.7
123.08048	2.3
127.83789	1.1
128.06218	5.4
129.07025	6.7
131.04930	21.9
131.08575	13.7
133.06520	4.6
133.10147	13.3
135.07993	2.5
137.06010	1.2
137.09616	2.3
141.07014	3.6
142.07806	6.7
143.04948	2.6
143.08591	12.2
145.06485	21.6
145.10120	9.6
146.07112	1.3
147.08069	5.4
147.11729	1.5
149.09651	4.6
152.06244	1.3
153.07080	2.5
153.08984	1.0
154.07814	1.2
155.06071	1.0
155.08588	7.6
156.09372	6.8
157.06514	4.5
157.10149	18.8
159.08081	11.6
159.11714	6.0
161.06059	3.7
161.09628	7.4
163.07568	2.2
163.11211	5.0
165.07024	2.6
165.09163	4.7
166.07797	1.5
167.08623	3.3
168.09344	2.1
169.10127	9.6
170.10933	6.7
171.04417	1.6
171.08067	9.7
171.11703	29.7
172.08871	1.2
173.06004	18.2
173.09607	9.9
173.13217	1.7
175.07605	1.6
175.11226	3.9
177.09143	2.0
179.08598	2.9
180.09384	1.5
181.08702	2.1
181.10197	4.4
183.08148	6.9
183.11700	32.6
184.08861	1.6
184.12212	2.2
185.09695	8.1
185.13271	23.4
187.07512	2.1
187.11224	3.9
189.09114	1.9
189.12787	1.9
191.08621	1.0
192.09473	1.2
193.08611	1.7
193.10204	3.2
193.12222	2.1
195.08093	3.5
195.10037	1.1
195.11772	5.5
196.09001	1.2
197.09642	4.8
197.13318	5.5
198.10400	3.0
199.07515	2.3
199.11176	8.8
200.11964	1.7
201.09235	2.1
201.12773	2.8
203.10788	2.1
205.10278	2.3
205.12286	3.1
206.11000	2.5
207.10052	1.3
207.11748	4.8
209.09682	4.8
209.13391	2.5
211.07629	1.3
211.11246	7.6
211.13123	1.9
213.09221	4.0
213.12726	22.2
214.13185	1.1
215.08745	1.9
215.10664	2.1
216.09496	1.2
217.10229	2.7
217.12257	1.6
218.11005	1.8
219.08234	1.5
219.11812	2.3
220.12477	1.9
221.09758	1.8
221.13301	3.4
223.11218	3.6
223.14583	1.2
225.09187	1.8
225.12848	1.7
227.10648	3.3
228.09387	1.6
229.10191	2.7
229.12299	2.9
230.10983	1.3
230.14716	1.4
231.11749	3.6
231.13893	4.6
232.12460	3.0
233.13362	3.6
234.13962	1.3
235.11230	3.0
235.14911	2.4
239.10760	1.3
241.12292	4.8
242.10974	1.8
243.11658	3.9
243.13922	5.5
244.12552	3.2
245.09625	2.1
245.13280	2.9
245.15407	13.4
247.11255	2.5
247.14891	3.6
249.12790	2.5
251.10590	1.7
251.14339	2.3
253.12488	1.7
254.10680	1.3
254.13120	1.2
255.11960	2.2
255.14034	2.5
256.12534	1.9
257.09412	1.9
257.13470	2.8
258.14035	2.2
259.11124	2.0
259.13187	2.6
259.15289	1.8
260.11960	1.2
260.15622	2.5
261.12735	2.0
261.16376	1.5
265.12457	1.5
266.10745	1.4
267.11765	3.9
268.12381	2.0
269.13522	2.6
270.13995	1.8
271.11081	2.2
271.14987	1.9
272.12296	1.4
272.15445	2.2
273.12634	1.9
273.14853	8.9
275.10779	1.5
275.14279	2.5
281.13373	2.5
282.14063	3.2
283.10974	2.4
283.13547	3.4
285.12781	5.3
285.16251	1.7
286.13525	2.9
287.14447	2.4
287.17889	2.1
289.12106	2.0
289.15802	1.9
295.11258	2.2
296.12308	1.4
296.15677	2.0
297.13205	1.9
297.16458	3.8
299.14343	4.2
299.17902	1.7
300.15164	3.5
301.15887	3.0
309.12830	3.1
309.16409	2.1
310.13629	3.0
311.14349	3.5
311.17764	1.3
313.12549	1.8
313.15994	4.7
314.16730	1.7
315.14029	2.1
315.17514	6.6
317.11737	1.4
317.15421	1.3
324.15079	1.9
325.15924	7.7
326.16690	2.1
327.13913	2.5
327.17603	5.0
328.14685	3.1
329.15445	2.1
329.19092	5.1
331.17059	1.1
333.18201	1.6
335.16708	1.1
339.17368	6.3
341.15353	1.3
343.16980	10.4
344.17590	2.8
345.18585	1.6
351.19281	1.6
355.17065	2.0
357.18561	11.5
359.16354	2.0
361.18097	3.3
367.16919	2.9
373.18011	2.3
375.19489	4.0
379.19009	2.1
383.22595	1.4
385.18027	9.0
386.18689	1.4
387.19611	3.5
389.21295	3.9
391.19205	2.0
393.20236	1.6
396.91010	1.2
399.19675	7.4
403.18970	3.7
412.29333	1.1
413.20905	1.1
417.20709	23.7
419.18283	1.5
421.20282	1.7
423.21271	1.4
425.22800	1.4
435.21524	6.4
439.21964	3.5
440.27420	3.7
453.22845	3.0
455.21756	1.6
457.25116	2.2
467.22195	1.7
471.24112	2.2
475.26889	4.0
477.22769	7.5
485.23349	1.5
490.75558	1.2
499.24835	3.0
515.25134	1.6
517.25891	4.0
537.24799	5.7
577.27979	2.9
581.11890	1.3
605.27551	5.0
619.28839	3.0
637.29999	36.8
638.30225	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
55.01875	6.6
55.05515	61.6
60.11092	0.8
65.01366	0.9
65.03928	0.9
67.05506	3.0
69.03435	5.5
69.07077	1.2
71.55386	0.9
72.36646	0.8
79.05495	6.9
81.03430	6.9
81.07065	3.2
83.04987	100.0
91.05487	13.0
93.07057	2.9
95.04962	6.8
95.08620	1.3
103.05486	1.6
105.07051	9.0
107.04967	7.0
107.08590	3.0
109.06546	1.9
115.05464	3.8
115.49941	0.9
116.06235	1.3
117.07013	7.6
119.08577	14.5
121.06507	3.0
121.10126	1.8
128.06245	4.3
129.07008	11.5
130.07829	1.3
131.04932	1.1
131.08585	10.2
132.05753	1.2
133.06516	2.7
133.10162	4.1
135.08107	0.9
137.80440	0.9
141.07001	2.5
142.07782	3.3
143.08565	7.0
145.06490	10.0
145.10146	6.0
147.08054	49.8
148.08438	0.9
149.09619	7.5
154.07756	1.8
155.08577	2.9
156.09322	4.4
157.06540	2.1
157.10139	35.6
159.08054	21.5
159.11700	14.1
160.05151	1.1
161.09639	11.8
163.07596	5.8
168.09354	2.3
169.10139	11.6
170.10846	1.2
171.08026	4.5
171.11694	31.5
173.06001	2.6
173.09613	8.3
173.13263	2.3
175.07570	22.8
178.07813	1.0
179.08545	1.9
181.10132	1.7
183.08023	1.9
183.11705	16.5
185.09677	5.9
185.13255	3.6
187.07593	2.3
187.11256	4.4
189.09152	1.7
191.10699	1.3
193.10170	1.9
194.10953	1.5
195.11722	2.8
197.09665	7.8
197.13229	2.7
199.11194	10.6
201.09198	1.7
201.12764	2.0
203.08853	0.8
203.10715	2.8
204.10231	2.9
205.10393	2.8
207.11703	2.3
209.09686	2.3
209.13339	3.0
210.10471	1.5
211.11186	2.5
213.09135	2.4
213.12741	2.3
215.10663	3.5
217.10349	1.5
217.12286	6.9
220.12477	1.8
221.13239	3.1
222.13828	0.9
223.11209	4.8
223.14841	2.7
225.12755	2.2
227.10643	6.3
229.10182	2.1
229.12271	8.1
230.10948	1.4
231.11789	1.6
231.13800	13.5
232.12491	1.4
233.13431	1.7
233.15434	2.8
235.11319	1.7
235.14850	2.5
237.12779	2.8
241.12395	1.6
242.10869	1.0
243.13802	2.2
244.12540	2.7
245.11545	2.1
245.15494	1.6
246.14221	1.5
247.11163	1.5
248.11699	1.1
249.12651	1.5
249.14838	1.5
251.14441	1.2
255.11575	1.5
255.13914	1.3
256.12561	1.5
257.13281	1.8
259.11050	1.5
259.13162	5.6
260.12100	1.1
261.12674	2.2
262.13565	1.0
263.14325	2.0
265.15991	1.3
269.13315	2.0
270.14011	2.3
271.11026	1.8
271.14752	1.8
272.12033	1.1
273.12668	2.0
274.13416	1.9
275.14334	2.5
275.17535	0.9
277.14453	1.4
279.13998	0.9
279.17026	1.0
283.11081	2.9
285.12778	3.0
285.16394	1.5
286.13647	1.2
287.14163	3.2
287.17746	1.6
289.15857	2.4
293.15182	1.0
296.12024	1.0
297.12747	3.4
298.13687	2.0
299.14301	1.7
300.15091	3.1
301.16016	1.9
303.14246	1.4
303.17401	6.0
311.14200	1.3
312.15128	2.0
313.15918	5.2
314.16486	1.9
315.13998	1.8
315.17368	7.3
317.19019	2.6
327.14020	1.3
327.17471	4.1
329.18976	2.6
331.16949	13.1
332.17383	1.2
333.18597	1.2
343.20770	1.3
345.18600	4.8
345.22269	1.2
347.20203	1.0
355.16968	2.3
355.20923	1.6
357.18542	1.5
359.16147	1.2
373.17737	9.3
373.22034	5.7
375.19766	1.6
377.21149	2.6
383.16046	1.0
387.19717	5.9
389.21167	4.5
391.22928	6.6
401.17520	3.0
405.20633	24.8
407.22018	2.9
415.19043	1.5
419.18176	1.2
423.21631	4.0
430.01501	1.0
433.20117	17.6
437.23553	1.7
451.21207	5.8
475.24548	1.2
491.30301	1.4
505.21970	1.3
519.23724	3.6
523.23291	2.3
533.25317	2.2
537.24487	7.9
551.26343	1.1
577.24261	1.1
605.27142	3.3
619.29077	22.3
628.31946	0.9
637.26489	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	637.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.9
55.01883	2.1
55.05513	67.3
57.23613	0.9
61.52308	1.0
65.03934	1.1
67.05516	2.6
69.03416	2.5
69.07074	1.7
79.05492	4.0
81.03409	4.0
81.07061	2.8
83.04983	100.0
91.05481	12.3
93.07045	4.8
95.04984	5.0
95.08603	2.3
98.21471	3.3
103.05484	2.2
105.03396	10.0
105.07036	7.5
107.04967	2.8
107.08587	5.2
109.06510	1.3
110.00195	1.0
111.04461	1.1
115.05464	12.6
117.07028	17.5
119.04935	1.1
119.08586	12.2
121.06564	1.3
121.10148	2.7
127.69840	1.0
128.06223	5.7
129.07021	6.0
131.04916	4.5
131.08569	11.0
133.06487	3.0
133.10136	9.0
135.08023	2.4
141.06985	4.2
142.07779	4.9
143.04942	2.6
143.08586	12.2
145.06497	24.5
145.10115	7.5
147.08086	6.6
147.11703	1.9
149.09616	3.9
152.06149	1.5
153.07004	2.1
154.07820	1.9
155.06099	1.6
155.08560	7.8
156.09357	7.4
157.06506	6.4
157.10144	18.2
159.08054	11.4
159.11708	4.2
161.06036	1.6
161.09616	7.7
163.11188	3.4
165.07024	4.2
165.09164	3.7
166.07800	1.8
167.08577	3.9
168.09398	1.7
169.06494	1.8
169.10138	8.5
170.10925	5.5
171.04488	1.0
171.08063	8.8
171.11685	28.2
172.08810	1.4
173.05997	24.7
173.09619	9.8
173.13330	1.7
175.07538	1.4
175.11266	2.9
177.09229	1.7
179.08606	3.4
180.09390	2.4
181.10130	4.0
182.10999	1.4
183.08101	7.3
183.11690	31.2
184.08815	1.3
184.12286	1.3
185.09665	7.1
185.13240	20.2
187.07593	2.4
187.11221	2.8
191.10732	1.4
192.09311	1.4
193.10124	1.6
194.10834	1.4
195.08101	2.7
195.11728	3.2
196.12340	1.0
197.09663	6.6
197.13264	5.2
198.10524	2.8
199.07538	2.4
199.11198	7.5
200.11951	1.7
201.09085	1.9
201.12805	2.7
203.10696	1.9
205.10229	1.2
205.12268	2.4
206.10986	1.7
207.09991	1.6
207.11757	3.8
209.09766	4.6
209.13274	2.3
211.07610	1.5
211.11232	6.7
213.09178	3.3
213.12750	21.6
215.10634	2.4
217.10176	2.5
217.12302	2.6
218.10899	1.7
219.11804	2.5
221.09683	2.2
221.13258	2.2
222.10512	1.4
223.11253	3.5
225.09172	2.3
225.12805	2.7
227.10757	4.2
228.09598	1.4
229.10094	2.6
229.12311	3.9
230.10925	2.5
231.11713	4.0
231.13884	2.8
232.12442	2.8
233.09683	1.9
233.13335	2.5
235.11235	2.3
235.15080	1.7
237.09125	2.4
237.12680	1.4
239.14281	1.6
241.10219	1.4
241.12253	5.6
242.10918	1.2
243.11739	3.7
243.13925	6.1
244.12439	2.7
245.13235	3.3
245.15404	14.6
246.10492	1.5
246.13850	1.3
247.11182	2.8
247.14960	1.8
249.12727	2.3
253.10237	1.5
254.10847	1.6
255.11926	1.8
255.13965	2.7
256.12439	3.3
257.13440	2.8
257.15607	1.9
258.14053	2.2
259.11102	2.6
259.13309	1.2
259.15149	2.1
260.11960	1.7
261.12790	2.9
261.16501	1.5
265.12228	1.6
266.10953	1.1
267.11636	5.0
268.12534	1.5
269.11487	1.8
269.13599	3.0
270.14005	2.0
271.11108	3.0
271.13654	1.4
271.15012	1.5
272.11905	2.1
272.15649	1.3
273.12619	2.1
273.14923	9.9
275.10880	1.5
275.14236	2.1
280.12485	1.4
281.13339	3.3
282.14041	2.1
283.10800	1.4
283.13535	3.0
284.12067	2.3
284.15518	1.4
285.12759	4.7
285.15884	1.5
286.13510	2.6
287.14291	4.2
287.17471	1.6
289.12225	1.4
294.96597	1.2
295.11264	2.3
295.14948	2.0
296.12036	1.7
296.15576	1.8
297.12741	2.2
298.13657	2.7
299.14349	4.9
299.17731	2.2
300.15137	1.9
301.12546	1.8
301.15915	3.8
303.13818	2.0
303.16901	1.1
309.12717	3.0
310.13547	3.4
311.14316	3.9
311.17819	1.6
312.11713	1.5
312.15106	2.8
313.12689	1.7
313.15689	6.3
314.16727	2.6
315.13794	2.5
315.17496	8.2
317.15482	1.1
317.19144	1.3
323.14175	1.4
324.15161	2.3
325.15939	8.7
326.13004	1.2
326.16663	2.4
327.13953	2.1
327.17511	5.8
328.14682	1.4
329.15573	1.9
329.19104	3.3
331.16937	1.5
339.17337	7.6
341.17017	0.9
342.16089	1.7
343.16931	12.6
345.18500	1.7
355.16980	3.2
357.14526	1.9
357.18484	11.6
359.16464	2.4
367.16714	2.3
373.18097	3.8
375.19601	3.9
385.17926	9.6
387.19794	3.5
389.21326	5.2
391.19019	2.0
399.19626	8.7
401.17444	1.7
403.18994	2.5
417.20673	24.3
418.19815	1.2
419.18329	2.3
435.21768	5.4
437.19681	3.9
459.21677	1.8
467.22461	1.3
477.22787	9.2
485.23810	1.5
487.24490	1.6
499.24680	1.5
517.26190	3.5
537.24908	8.1
559.26807	1.8
577.27551	2.4
605.27429	4.4
619.28735	2.1
637.30054	37.6
638.30414	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61632	1.1
53.03934	3.6
55.01863	2.7
55.05515	65.7
67.05492	4.0
69.03424	2.9
69.07055	3.2
71.04960	1.3
77.03934	1.3
79.05485	4.5
81.03403	4.5
81.07049	3.3
83.04985	100.0
91.05473	13.8
93.07034	4.8
95.04952	4.1
95.08608	2.4
98.20716	3.3
103.05479	14.8
104.05798	3.9
105.03391	4.8
105.04519	1.7
105.07039	13.6
106.07385	1.2
107.04943	2.7
107.08604	5.8
109.06520	2.9
113.06016	1.2
115.05457	15.4
116.06282	1.5
117.06339	1.7
117.07029	19.2
119.08591	16.8
120.08890	1.7
121.06499	3.2
121.10135	1.7
128.06235	7.0
129.07002	8.3
131.04938	30.1
131.08575	10.0
132.05266	13.7
132.08839	1.7
133.05504	2.1
133.06487	4.0
133.10153	9.7
135.08026	4.5
141.06964	3.6
142.07745	4.6
143.04909	2.8
143.08600	10.9
144.09137	1.2
145.06488	22.6
145.10149	7.8
147.08060	9.5
147.11702	1.7
149.09601	5.2
152.44453	1.2
153.06966	2.9
155.08524	6.5
156.09340	7.6
157.06476	4.7
157.10136	19.1
158.10486	2.1
159.08060	13.8
159.11624	5.1
160.12045	1.5
161.06038	6.7
161.09616	9.3
162.09966	1.2
163.07623	1.4
163.11157	4.8
165.07040	2.3
165.09163	6.2
166.07806	1.8
167.08519	4.0
168.09293	3.7
169.06496	2.7
169.10173	9.0
170.10916	7.1
171.04428	1.3
171.08089	8.7
171.11682	30.3
172.08682	2.8
172.12045	4.5
173.05989	23.3
173.09654	10.4
173.13298	1.9
174.09950	1.2
175.07544	3.4
175.11220	2.8
177.09097	2.4
179.08411	2.7
180.09283	2.8
181.10114	4.6
182.10776	1.9
183.08118	6.7
183.11707	27.3
184.12227	2.0
185.09694	8.0
185.13290	21.0
186.13571	3.2
187.07521	1.3
187.11121	4.0
189.09102	2.8
193.10092	3.4
195.08020	3.6
195.11720	4.5
196.12457	1.5
197.09621	8.4
197.11261	1.4
197.13248	5.9
198.10320	2.0
198.13506	1.5
199.07484	2.0
199.11188	9.5
200.11720	2.3
201.09181	3.2
201.12622	3.3
205.10225	1.7
205.12134	2.3
206.10808	1.4
207.10034	2.0
207.11742	3.8
209.09598	4.0
210.10384	1.4
211.07486	2.4
211.11205	8.6
213.09094	4.4
213.12732	22.5
214.13086	3.7
215.10646	3.5
215.14404	1.2
216.09360	2.3
217.10199	1.9
217.12233	2.1
219.11731	2.5
220.12364	1.7
221.09760	2.7
221.13266	2.9
222.13899	1.6
223.11165	3.4
224.11841	1.4
225.12749	2.2
227.10617	4.8
229.10130	2.2
229.12195	5.6
229.14261	1.3
230.10843	2.2
231.11702	3.2
231.13786	4.2
232.12250	1.8
233.09543	3.2
233.13281	2.7
235.11171	2.4
235.20480	1.3
237.12691	2.1
239.10713	2.3
241.12170	5.0
242.10815	2.5
243.11792	2.0
243.13806	6.9
244.12270	3.4
245.13171	3.4
245.15373	12.8
246.13625	1.7
247.11104	2.7
247.14821	2.4
248.11909	1.3
249.12674	2.3
251.10666	1.3
255.11700	1.8
255.13875	3.5
256.12482	1.4
257.11581	2.7
257.15512	2.2
258.13922	2.1
259.11050	2.4
259.13257	2.2
259.15027	2.2
261.12613	2.9
267.11734	2.8
268.12445	1.8
270.13773	2.4
271.11029	3.2
271.14130	2.6
272.12106	2.0
272.15369	3.8
273.12659	2.0
273.14932	13.9
275.14294	1.5
281.13129	2.7
282.13998	2.3
283.13519	1.9
284.15442	1.4
285.12640	4.8
285.16040	2.1
286.13593	2.4
286.16901	2.1
287.14267	3.0
289.12106	1.7
296.11969	2.4
296.15524	2.2
297.12900	2.8
297.16232	2.8
298.13495	3.5
299.14249	4.9
300.15051	3.0
301.15869	3.2
303.13791	1.4
309.12625	2.2
310.13605	2.7
310.16983	1.4
311.14172	3.6
313.15839	6.0
313.18839	1.5
314.16537	2.3
315.13782	2.1
315.17288	8.4
324.14996	2.8
325.15884	9.4
326.16489	2.2
327.13678	2.7
327.17410	4.5
328.14523	1.4
329.15292	2.7
329.18869	4.6
331.16696	3.4
332.17148	2.1
333.17996	2.2
339.17404	4.8
343.13162	2.0
343.16895	14.2
344.17307	1.9
345.18405	2.4
355.16791	3.1
356.17154	2.2
357.18451	13.8
359.16226	2.8
360.16986	1.4
361.17474	2.2
367.16821	3.5
373.18082	2.8
374.18198	1.6
375.19153	4.6
385.18063	7.9
387.19693	3.6
389.21048	4.9
391.18625	1.7
399.19330	10.5
401.17108	3.0
402.18161	2.3
403.18744	4.0
404.19461	1.7
405.20294	2.5
415.19122	1.5
417.20627	26.0
419.18179	2.5
420.18314	1.5
421.19659	2.4
425.21539	2.0
434.20438	1.5
435.21255	7.1
437.19574	2.9
451.21420	1.4
453.21655	5.3
455.21741	1.5
457.23633	1.9
470.22430	2.5
471.22855	2.4
477.22760	10.8
491.03433	1.4
499.24625	2.8
517.25891	3.4
537.24719	8.0
559.27698	1.6
577.27454	2.3
605.26752	2.7
619.29028	3.2
637.30103	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01862	1.7
55.05513	10.6
55.66604	0.7
65.21928	0.6
66.59322	0.6
67.05502	1.5
67.97489	0.6
69.03428	0.9
69.07066	0.8
69.24470	3.5
69.24885	2.7
70.97759	0.6
79.05481	1.6
81.03410	1.7
81.07037	1.9
83.04981	20.3
91.05479	5.9
93.07060	2.3
94.94811	0.7
95.04987	1.7
95.08598	1.6
103.05463	1.9
104.05766	0.6
105.03429	1.1
105.07020	3.6
107.04945	1.2
107.08575	1.7
109.06542	1.1
109.10164	0.8
114.24126	0.6
115.05477	1.4
117.07032	2.4
119.08588	6.2
121.06484	1.1
121.10130	1.3
125.26289	0.7
128.06232	0.9
129.07011	4.7
130.07800	0.6
130.63120	0.5
131.04959	3.6
131.08578	4.9
133.06491	1.5
133.10126	4.7
135.08064	1.0
141.07014	1.1
142.07773	2.9
143.08557	4.3
145.06445	3.0
145.10135	3.0
147.08058	12.2
147.11713	0.9
149.09648	1.4
155.08597	1.5
156.09364	2.3
157.06490	0.6
157.10106	6.2
157.11096	0.6
158.07265	0.7
159.08051	9.9
159.11710	2.3
161.09625	7.9
163.07561	2.5
165.07063	0.9
165.09102	1.0
167.08582	1.1
168.09311	0.6
169.10155	4.0
170.10851	1.2
171.08078	3.0
171.11694	8.3
173.05963	1.2
173.09685	3.2
173.13243	1.0
175.07561	1.5
175.11166	0.8
181.10124	1.4
183.11673	4.6
185.09666	3.4
185.13213	7.0
187.07602	0.7
187.11182	2.2
189.09216	1.1
193.10231	1.6
195.07997	0.6
195.11732	2.5
197.09717	1.9
197.13278	1.8
198.10532	1.0
198.40723	0.7
199.11234	3.6
201.12697	1.3
205.10205	0.8
207.11673	1.5
209.09651	0.9
209.13368	0.9
211.11211	2.0
213.09204	1.3
213.12758	8.9
215.14334	0.7
217.12186	1.1
220.12521	0.7
221.13269	1.1
223.11188	1.3
223.14873	0.9
225.12810	1.0
229.12262	1.3
230.10982	0.7
231.13824	2.5
233.13309	1.6
233.15436	0.8
235.14943	1.1
239.10686	0.8
241.12132	0.8
243.13890	1.4
245.15439	2.9
247.13170	0.8
259.13278	0.8
261.12900	1.1
273.12393	0.7
273.14883	4.1
274.97122	0.8
275.14383	0.9
287.14432	1.1
291.16135	1.3
297.12997	0.9
301.15915	1.0
302.16681	0.8
311.14096	1.0
312.15146	1.0
315.17514	1.5
317.19049	1.4
327.13962	0.7
327.17523	2.0
329.15332	0.7
341.19049	1.0
345.18597	1.6
357.18582	0.8
359.20215	1.6
369.18628	1.5
375.19443	0.8
377.25006	1.5
387.19806	2.5
389.21222	1.5
391.22641	1.2
395.25745	0.7
401.21274	2.2
405.20749	3.1
419.22223	4.9
437.22989	4.8
459.21402	2.4
477.22507	8.7
489.23822	1.1
505.25919	0.8
537.24310	5.9
577.27716	1.5
587.23273	0.8
605.31567	1.3
619.32233	1.2
637.29791	100.0
638.30701	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
54.69246	0.6
55.05509	2.1
55.72148	0.6
56.61993	0.5
64.07493	0.5
66.83705	0.5
67.05508	0.6
69.03425	0.8
69.16890	0.6
69.17052	1.0
69.17470	5.9
70.06512	0.5
79.05500	1.4
81.03402	1.0
81.07058	1.2
83.04983	2.7
91.05498	2.5
93.07059	1.8
95.04977	1.1
95.08591	0.8
98.20710	1.1
103.05475	1.8
105.03420	1.7
105.07047	2.8
107.08581	1.4
109.10164	0.8
109.30225	0.5
115.05497	0.8
119.08593	1.8
121.06482	0.6
124.03969	1.4
128.06229	1.0
129.06984	1.1
131.04926	4.7
131.08598	1.1
133.10130	2.0
141.06985	0.7
142.07771	0.7
143.08560	1.3
145.06445	0.8
145.10129	1.9
147.08057	1.6
157.10133	1.5
159.08040	1.4
159.11717	1.1
161.09612	1.5
167.08525	1.0
169.10175	0.7
170.10945	0.8
171.11710	1.8
172.43425	0.6
173.09645	1.2
173.13243	0.8
183.11723	1.5
185.09612	1.2
185.13287	1.7
195.11734	0.8
197.13297	0.8
199.11197	0.8
213.12709	4.9
215.14552	0.8
224.48622	0.6
233.11548	0.8
259.23035	0.6
262.17133	0.7
273.14792	2.4
291.16003	0.9
341.13525	0.6
359.14847	2.8
359.19733	0.6
377.47705	0.7
379.26581	0.7
405.20041	0.6
435.21878	0.8
453.22882	1.5
459.21591	1.3
477.22369	4.5
479.84082	0.6
537.24542	5.3
577.27661	1.4
605.27130	3.1
619.29254	1.2
637.29822	100.0
638.29767	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.9
55.01882	2.2
55.05510	7.2
57.03439	2.1
62.93720	1.8
67.05513	12.0
69.03442	9.9
69.07058	6.9
70.08858	1.8
71.04993	4.7
71.23294	3.2
74.19445	1.8
79.05506	13.1
81.03438	3.1
81.07066	15.7
83.04976	8.4
83.08626	3.1
85.02898	5.0
85.06524	4.3
87.04469	6.0
88.18057	1.9
91.05493	23.0
93.07060	23.1
95.04977	6.7
95.08608	16.4
97.02890	2.2
97.06527	6.6
99.04442	5.8
101.06020	2.0
105.07040	27.0
105.95786	1.8
107.05009	2.2
107.08616	21.8
109.06516	13.5
109.10162	9.5
111.08070	4.6
113.06001	2.3
117.07044	10.0
119.04942	2.1
119.08567	27.2
121.06491	4.5
121.10148	14.6
123.08080	6.0
128.06242	5.8
129.06999	11.5
130.07774	3.4
131.08577	25.8
133.06557	3.1
133.10127	22.9
135.08061	8.0
135.11729	3.3
137.06000	2.0
137.09633	4.1
141.07002	6.2
142.07800	8.7
143.08577	24.2
144.09258	2.2
145.06467	2.2
145.10130	30.0
147.08090	4.3
147.11679	7.2
149.09637	5.0
153.05487	3.3
153.06923	3.6
153.09152	2.0
155.07297	3.9
155.08546	23.1
156.09387	9.6
157.10132	43.2
159.08115	4.8
159.11703	16.8
161.09634	7.4
161.13335	5.0
163.07524	3.7
163.11192	4.5
165.07001	8.2
165.09196	2.7
166.07854	2.8
167.08575	7.8
168.09303	4.6
169.08696	2.9
169.10124	22.7
170.10838	3.0
171.08025	4.0
171.11696	18.2
173.09631	7.4
173.13274	7.5
175.11171	4.7
177.09117	5.6
178.07837	2.2
179.08548	13.6
180.09416	7.0
181.10120	28.1
182.10883	8.8
183.11699	24.3
185.09657	3.9
185.13257	11.2
187.11221	5.5
189.09094	3.9
191.08649	6.1
191.10683	7.3
192.09331	7.7
193.10162	26.1
194.10915	9.2
195.10146	3.9
195.11723	33.9
196.12401	3.8
197.09604	3.4
197.13269	23.8
199.11238	6.7
199.14835	3.8
201.12706	3.3
203.08649	3.5
203.10564	4.2
204.09328	4.5
205.10173	9.2
205.12079	2.6
206.10934	10.3
207.10027	3.2
207.11739	32.1
207.13535	3.9
208.12570	9.4
209.09720	3.7
209.11586	2.4
209.13295	29.2
211.11267	6.2
211.14807	14.8
213.12851	4.8
215.10724	6.3
217.10147	6.0
217.12210	4.3
218.10945	6.9
219.11716	16.2
220.12498	12.0
221.09836	2.6
221.13295	41.6
222.14017	6.7
223.14859	25.9
225.12781	4.2
225.16449	6.9
227.10727	3.7
227.14297	3.8
229.10132	2.3
229.12213	5.6
230.10823	2.5
231.11668	9.6
232.12413	7.3
233.09645	3.1
233.13408	20.1
234.10417	2.8
234.14059	5.7
235.11293	3.7
235.14862	30.8
236.15613	2.9
237.12741	3.4
237.16380	11.8
239.10664	2.6
239.14284	5.0
241.12296	3.5
243.11678	4.8
244.12471	3.5
245.13298	9.0
246.14027	7.6
247.14975	16.6
248.15736	5.2
249.12804	5.2
249.16420	9.5
251.14316	6.6
251.17900	6.1
253.12346	4.9
253.16010	2.3
253.19540	5.5
255.14017	3.1
259.14798	7.4
260.15579	2.8
261.12711	4.3
261.16437	17.9
263.14359	8.5
263.17963	20.6
264.18542	2.1
265.15952	4.5
267.13895	5.1
269.13010	2.9
269.15555	2.9
273.16516	4.0
275.18015	4.2
277.15967	4.7
277.19510	5.0
279.13821	4.7
279.17523	4.3
281.15393	15.6
281.19009	10.2
283.17099	3.2
285.16507	2.9
287.17883	5.3
289.15942	2.8
289.19638	4.3
291.17505	2.7
293.18921	2.7
295.17093	2.1
295.20581	4.8
297.18655	2.4
301.19339	2.2
303.17438	8.1
305.15634	3.4
305.19025	12.5
309.14682	2.6
311.20135	2.9
319.16824	2.8
319.20685	2.7
321.18427	19.3
323.16666	2.8
323.20084	57.8
325.17993	3.4
329.19058	3.1
331.16840	3.1
331.20493	4.3
333.18320	3.4
335.16464	3.4
337.14240	2.3
337.17908	5.1
339.19449	4.7
341.21130	100.0
347.20181	2.8
349.17987	3.5
349.21790	3.2
351.19528	5.4
355.20291	2.8
361.21606	3.2
365.21164	4.3
367.22623	3.6
373.21637	14.7
377.21317	9.6
379.18805	3.9
379.23038	3.3
383.22375	17.1
391.22748	24.8
395.22543	10.0
397.20056	3.0
401.22385	3.5
407.22198	3.7
409.23615	6.3
413.23364	5.8
419.22208	14.9
425.23059	8.6
427.20908	2.7
437.23328	36.5
443.24350	9.3
445.22183	18.3
455.24347	35.9
473.25214	13.1
475.26865	4.8
487.23282	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	637.266
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
53.03936	1.7
54.85756	0.9
55.05495	3.1
57.03426	1.0
61.37507	1.0
67.05508	7.4
69.07042	2.9
71.08613	1.3
72.08155	1.7
74.09721	5.1
77.03950	1.0
79.05496	6.5
81.03384	1.1
81.07059	8.6
83.04950	1.2
83.08602	3.0
91.05491	5.3
93.07033	4.4
94.06590	1.3
95.04942	1.7
95.08629	5.5
97.06529	1.0
97.10114	1.1
103.12025	0.8
104.04965	3.7
105.07023	2.2
106.06577	2.0
107.08593	1.6
108.08072	1.0
109.10116	3.3
111.18657	0.9
117.07000	2.2
119.08556	1.7
120.08074	1.8
121.10128	2.0
129.06934	1.0
131.08557	1.9
133.10117	2.3
134.06023	9.5
135.11665	1.3
145.10100	1.1
147.11678	1.4
149.13205	1.0
152.07071	1.4
166.55525	1.0
172.03920	2.3
178.05003	11.9
204.06570	4.3
208.09752	1.0
209.10594	1.2
219.09074	1.0
223.08591	2.5
224.09433	1.6
225.10304	2.2
227.11833	1.9
234.11505	1.1
235.08595	3.5
236.09338	1.8
237.10172	2.4
249.06380	1.3
249.10342	4.3
251.08151	2.7
251.11763	1.8
253.13318	4.0
263.08102	2.9
264.08966	1.3
265.09634	3.0
277.09601	3.6
279.11334	2.0
281.12863	1.6
297.12421	2.0
298.42633	1.0
300.11337	1.5
301.12085	1.2
309.12344	1.6
310.13638	1.0
311.10605	1.5
311.14001	1.5
312.11292	2.0
312.14780	1.3
314.12927	2.1
315.13889	1.2
324.11322	1.5
325.11896	2.2
325.23624	2.7
326.12848	3.0
327.13666	1.3
327.25238	3.5
328.14288	2.6
330.15997	1.6
337.11810	10.2
338.12680	2.0
340.10779	1.8
340.14539	3.0
341.15253	1.1
342.12198	2.2
342.16003	1.3
349.23825	1.6
353.11575	1.4
354.12283	2.5
354.16119	2.1
355.17017	1.2
356.13675	1.6
358.15472	2.2
366.12238	1.3
367.13190	1.6
368.13770	2.6
369.14743	1.4
382.15546	2.2
383.16360	1.3
384.13135	1.2
388.16977	0.9
395.12378	1.3
396.13379	2.5
405.16678	1.3
410.15033	2.8
411.15356	1.1
417.16693	2.0
419.18430	1.7
428.15918	1.6
429.16864	1.5
430.17825	1.4
433.15488	1.4
433.20587	1.8
438.14206	1.8
442.17307	3.9
444.19214	2.1
445.20224	2.1
446.20831	1.8
447.17645	1.3
456.15320	1.3
461.19388	3.5
462.20407	1.3
465.35651	1.4
470.16983	4.8
475.21069	3.7
476.21680	1.5
477.22366	1.3
491.20383	2.0
502.18900	1.0
503.20157	4.2
507.24127	1.2
517.21960	1.5
527.20544	1.1
530.19275	2.4
531.20172	1.4
533.25189	1.8
535.23468	19.9
545.22186	1.7
549.24615	3.3
559.22986	1.3
573.21918	1.3
577.24353	24.3
587.22729	3.3
595.25024	5.4
601.44244	4.9
602.44489	3.5
605.23932	44.6
609.26923	2.1
619.25360	3.2
634.43945	1.2
637.26587	100.0
638.25995	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.7
57.07082	2.6
59.99086	0.7
67.05497	3.3
69.07062	1.6
69.78592	3.0
71.08621	0.9
79.05502	2.7
81.07100	1.7
83.04986	3.3
83.08627	1.1
91.05471	1.5
93.07059	2.1
95.08619	2.8
98.21484	1.4
105.07028	1.9
107.08620	1.5
109.10123	1.1
117.07010	0.9
118.06509	1.3
119.08579	1.5
120.08151	1.2
121.10124	1.1
135.11723	1.2
144.08083	1.0
145.10146	1.3
145.53343	0.8
147.94905	0.8
157.10143	1.0
169.10153	0.8
188.84001	0.9
195.09100	1.0
207.09178	1.4
208.09959	1.6
210.11464	1.2
211.12384	1.2
212.12952	0.9
221.10716	1.6
222.11626	1.1
223.12318	2.3
224.13115	1.3
225.13904	2.5
235.08765	1.5
235.12361	1.8
237.13835	3.4
249.10222	1.9
249.13962	1.6
251.08218	1.3
258.11508	1.3
275.08142	1.2
277.09814	1.8
311.10623	0.9
312.11401	1.1
312.14835	0.9
322.13620	0.9
328.14651	0.9
338.12863	1.7
340.14581	1.3
368.13879	1.4
405.17221	1.6
413.17923	1.7
415.19247	1.3
417.16824	1.8
419.18665	1.2
426.14764	1.6
427.15549	3.1
428.16177	1.5
429.21289	1.9
433.20264	1.3
440.16196	1.0
441.17535	4.9
442.17673	2.7
445.16235	1.2
447.22290	1.2
449.23724	1.3
455.14450	1.2
456.20148	1.3
457.20493	5.9
459.18179	1.0
460.19037	1.1
469.16281	4.1
470.17300	2.4
471.21945	2.9
472.22620	1.5
475.21201	2.2
484.19089	1.8
485.20367	4.2
487.17361	1.5
489.22900	4.1
491.20895	2.5
497.15869	0.9
498.16690	1.7
499.21320	11.6
500.22314	3.9
501.18964	1.8
502.20065	1.3
503.20715	3.6
507.23621	1.1
511.20819	1.8
512.17908	1.8
513.19299	2.4
517.22327	10.5
527.20801	18.3
528.21295	3.5
529.21582	1.1
533.22021	1.1
539.39410	3.3
543.23920	15.7
545.21912	4.1
549.25006	1.4
555.20178	3.3
559.23553	5.8
577.24902	2.0
581.23975	3.0
587.22900	100.0
588.23041	3.2
605.23932	2.0
619.25488	63.1
620.25397	1.6
637.26263	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	637.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05379	0.4
55.05605	0.5
57.07185	0.3
67.05277	0.6
67.05654	1.1
69.06877	0.3
69.07175	0.4
79.05219	0.6
79.05668	0.9
81.07244	1.3
83.08778	0.5
87.00771	0.3
88.91859	0.3
91.05698	1.2
93.06677	0.5
93.07253	0.9
94.06730	0.5
94.16223	0.3
95.08813	1.0
102.17046	0.3
105.07244	0.8
106.06703	0.4
107.07510	0.3
107.08762	0.4
108.08298	0.6
109.09129	0.5
109.10329	0.6
113.64155	0.3
116.05172	0.4
118.06744	0.5
119.08737	0.5
120.08269	0.4
121.10307	0.4
129.07210	0.3
131.07455	0.3
131.08769	0.6
138.05661	0.4
144.04659	0.4
144.08250	0.4
146.06178	0.4
156.08344	0.5
162.05836	1.1
167.07561	0.7
168.06976	0.6
168.08429	1.2
169.07811	0.5
178.06783	0.3
179.06316	0.6
180.06999	0.4
180.08394	0.5
181.07838	0.9
181.09160	1.2
182.08670	0.7
182.09955	0.5
183.09398	0.7
184.10046	0.3
192.06924	0.4
193.07927	2.1
194.08710	1.8
195.09525	4.5
196.08342	0.6
196.10275	2.5
196.11755	0.6
197.07182	0.3
197.11087	2.9
198.08052	0.4
198.13098	0.6
206.06290	0.3
206.08417	0.4
207.09529	3.4
208.08018	0.9
208.10304	3.4
209.05374	0.5
209.07452	1.5
209.11095	6.7
210.08176	0.9
210.11880	5.5
211.07072	0.5
211.09035	1.7
211.12337	2.4
212.09807	1.0
212.13449	1.8
220.10286	0.7
221.07460	2.6
221.11145	1.1
222.07860	1.8
222.11880	0.9
223.06717	0.5
223.08728	7.6
223.12675	5.1
224.07489	0.8
224.09430	13.6
224.13446	2.5
225.06999	0.3
225.10284	6.1
225.13857	6.7
226.07745	0.7
226.11301	0.4
226.14668	2.3
227.15700	0.7
228.09291	0.5
233.11238	0.3
234.08195	0.5
235.08673	5.2
235.12628	0.4
236.05788	0.5
236.09827	3.6
237.06853	1.2
237.10219	4.4
237.14128	0.6
238.07605	0.5
238.08983	0.5
238.11394	2.5
239.08159	1.8
239.12198	1.1
240.12677	0.3
241.09836	0.6
249.06586	1.7
249.10562	0.4
250.07787	1.0
251.08539	4.8
251.12180	4.9
252.08943	1.6
253.10880	1.1
253.13373	20.7
254.07115	0.5
254.14119	0.4
255.11322	3.2
256.08832	0.4
256.09558	0.5
256.12146	2.8
263.08154	4.9
264.08969	3.7
265.06467	1.1
265.10080	2.9
265.13831	0.5
266.07306	0.7
266.10870	1.9
267.08121	1.2
267.11493	0.5
268.08685	0.3
269.09323	1.5
269.13269	1.4
270.14029	1.2
271.14804	1.1
272.08292	0.9
275.08401	0.7
277.06091	1.9
278.07062	0.5
279.08096	2.0
279.11685	6.0
280.08801	0.3
281.06335	0.5
281.09589	3.5
281.13214	2.0
282.10318	0.5
283.07553	0.6
283.11157	1.1
291.07642	6.9
292.08661	0.6
293.09204	1.6
295.07495	1.0
295.11035	0.5
297.09119	0.9
297.12286	4.7
300.11316	0.6
307.11057	0.8
308.07968	0.6
309.08755	1.6
310.09512	3.6
311.10654	1.4
311.14108	0.7
312.11685	0.6
313.27597	0.5
319.07092	2.1
323.10672	1.3
324.07715	0.3
325.11917	4.7
326.12894	0.4
327.10086	0.7
327.25711	0.9
329.11530	0.4
337.08572	0.6
340.14902	0.3
341.11499	0.3
342.12436	0.4
343.13074	0.4
351.09775	27.6
353.11316	0.3
356.14163	0.4
369.10831	15.0
383.12988	0.5
404.16684	0.3
416.16974	0.4
419.18878	0.4
430.17923	0.3
431.15012	0.6
432.15863	0.7
433.20886	0.4
438.14670	0.6
447.18076	0.7
458.17682	1.0
461.20285	0.4
470.16989	1.8
475.21780	0.7
482.18466	0.3
489.22855	1.2
499.21323	0.4
503.20984	1.3
504.73389	0.4
517.22357	5.0
527.20905	0.4
545.21338	1.8
549.24994	0.9
561.25623	0.4
573.21338	3.7
577.24481	28.0
578.24951	0.6
587.22986	1.1
601.44873	1.0
602.44861	0.9
605.23975	100.0
606.24213	1.4
619.25891	0.6
623.24951	0.6
637.26599	29.1
638.26349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97226	0.4
54.52313	0.4
67.05508	0.7
98.21560	1.2
107.05604	0.5
124.77597	0.4
155.04831	0.4
200.80025	0.5
209.10750	0.7
224.13138	0.5
225.13760	0.5
235.12294	0.5
335.48505	0.5
352.14450	0.6
375.16895	0.7
376.16882	0.5
377.17801	2.2
378.18488	1.5
379.19699	0.5
385.14783	0.6
387.16281	0.6
388.17566	0.7
389.18256	0.5
390.19052	0.9
391.19241	3.0
392.19946	2.0
393.20856	2.6
399.16321	1.9
400.16913	2.0
401.17722	2.3
402.18936	1.2
403.19574	0.7
405.16522	0.8
405.20959	1.9
406.21799	0.9
407.22327	5.6
412.17914	0.7
413.17792	2.5
414.18661	2.0
415.19540	4.4
416.15857	0.7
416.20706	0.7
417.21152	0.7
418.17719	0.7
419.18567	1.0
419.23203	0.6
420.19537	1.1
421.20224	4.7
425.18060	0.6
427.19635	0.7
428.20032	1.8
429.21313	4.6
430.21710	1.6
431.18262	2.1
433.16168	0.9
434.20850	0.9
435.21756	3.7
436.22769	1.5
439.19104	0.7
441.16931	1.2
442.17838	0.9
443.18292	2.0
443.22607	2.5
444.18591	2.7
445.20322	1.6
446.21570	0.7
447.18274	1.8
449.18863	0.5
456.19824	0.9
457.20541	3.4
458.21603	2.2
459.17728	2.1
461.19861	1.3
462.25287	0.6
463.20996	1.2
469.17099	0.6
471.22629	4.6
472.23337	3.4
473.19705	4.1
474.20490	1.9
475.16727	0.7
475.21982	1.2
484.18951	0.8
485.19958	3.9
486.20651	3.3
487.21140	1.9
488.22247	0.5
489.19208	1.8
489.23126	2.3
490.19412	3.5
491.20441	2.0
499.21371	8.7
500.23157	2.2
501.18369	0.6
501.23004	0.8
502.20029	1.1
503.25562	2.4
506.21600	0.6
507.23972	0.7
513.19141	5.4
514.20093	1.5
516.21570	1.4
517.22333	12.2
518.22015	0.7
519.20746	0.8
521.25464	1.9
527.20972	3.1
528.21405	1.1
529.22437	1.2
531.24579	7.9
543.23883	1.7
544.20422	0.5
545.21515	1.8
548.23682	0.5
549.24963	6.3
550.25543	0.7
559.23450	54.9
560.23834	1.1
573.21606	0.5
577.24396	3.1
578.25098	0.8
587.22955	11.6
591.25903	3.0
600.61237	0.5
605.23895	6.3
609.27051	0.8
619.25537	56.0
620.25732	1.4
637.26587	100.0
638.26556	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	637.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00754	0.4
65.03846	0.3
70.79427	0.8
71.50697	0.3
99.61178	0.3
107.08566	0.4
112.08611	0.3
114.47858	0.4
120.08124	0.4
129.96295	0.3
133.10126	0.4
182.09657	0.7
209.10703	0.6
221.10568	0.5
222.66965	0.4
245.10576	0.4
245.92500	0.4
263.11642	0.4
270.03384	0.3
296.11682	0.4
300.14899	0.4
363.16119	0.6
374.16193	0.5
376.17514	0.4
377.17773	1.1
378.18381	0.6
385.14713	0.5
386.15543	0.5
387.16183	0.6
388.17950	0.6
390.18817	0.4
391.19101	1.0
392.20013	1.1
393.21094	2.6
398.15936	0.9
399.16248	1.9
400.16870	3.2
401.17694	3.2
402.18527	1.0
403.19275	0.7
404.16507	0.5
405.21075	0.7
407.22437	3.4
412.17715	0.4
413.17697	2.7
414.18637	3.9
415.19434	8.6
416.20047	1.4
417.20667	1.0
421.20139	2.4
425.17676	1.2
426.18512	0.4
427.14923	0.5
427.19733	0.8
428.20581	3.3
429.21237	6.9
430.22137	2.6
431.18491	1.0
435.21915	1.3
436.22873	0.8
439.19302	1.3
441.17297	1.5
442.17871	1.6
443.18277	2.8
443.22601	3.5
444.18695	4.9
445.20410	2.3
447.17868	0.6
448.18341	0.5
456.19302	1.7
457.20767	4.1
458.21057	4.5
459.17786	0.7
461.19467	0.5
462.20154	0.5
470.16748	0.7
471.22272	6.8
472.23099	4.9
473.19397	4.0
474.20404	1.2
484.19226	0.6
485.20020	2.7
486.20557	7.0
487.21292	2.0
488.22491	0.6
489.23325	1.8
490.19577	2.1
491.20880	0.9
499.21402	9.7
500.23022	2.7
501.23001	0.5
502.19482	0.7
503.24768	4.5
513.19366	1.7
514.19946	1.3
515.20959	0.4
516.21552	1.4
517.22430	3.6
521.25940	0.6
527.20941	3.1
528.21411	1.1
530.22943	0.8
531.23999	12.2
541.22333	0.5
543.23816	1.7
544.21497	0.6
545.21991	1.0
549.24817	1.0
559.23450	85.7
560.23810	1.4
577.24585	0.5
587.22937	15.3
605.24042	0.7
619.25537	100.0
620.25769	2.4
637.26642	16.3
637.37256	0.8
638.26605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2646
Annotation	Chloramultilide D
Peak:m/z	Relative Intensity
51.02372	2.9
53.03955	9.9
55.01874	3.2
55.05520	10.4
67.05496	7.7
67.69152	1.9
69.03407	5.0
69.07055	6.3
69.18652	14.8
71.04995	2.2
73.58868	1.8
77.03929	2.3
79.05494	8.9
81.03419	7.2
81.07051	7.9
83.04979	8.9
83.08633	1.9
91.05483	14.3
91.84309	1.8
92.64292	1.7
93.07063	11.7
95.04969	16.1
95.08601	7.8
97.02899	1.9
97.06558	2.3
103.05480	9.8
105.03403	100.0
105.04491	4.3
105.07040	26.4
107.04939	3.4
107.08578	8.2
109.06512	6.6
109.10171	4.9
115.05457	6.8
117.07023	11.6
119.04949	2.8
119.08601	23.3
121.06503	5.0
121.10152	6.8
121.31171	1.9
123.08098	3.2
125.05945	2.6
127.73951	1.6
128.06224	6.2
129.06996	7.9
130.07759	2.5
131.04953	12.0
131.08595	14.2
133.06512	12.0
133.10132	17.6
135.08076	5.2
135.11688	2.5
136.38361	2.0
137.09602	1.8
141.06940	4.3
142.07768	7.3
143.08575	13.1
145.06491	7.0
145.10136	12.2
147.08076	10.9
147.11685	5.2
149.05966	2.2
149.09621	9.2
151.07474	1.9
153.06993	2.5
154.07799	3.0
155.08583	9.0
156.09338	8.0
157.06532	4.1
157.10164	16.8
159.08032	8.7
159.11691	7.7
161.05994	17.3
161.09612	11.6
163.07549	7.3
163.11166	2.9
165.07010	3.3
166.07767	3.6
167.08546	4.3
168.09224	2.3
169.10179	10.5
170.10963	8.4
171.08037	7.9
171.11713	30.6
173.06007	5.9
173.09624	10.1
173.13229	3.1
175.07559	8.1
175.11189	2.8
177.05414	1.9
177.09114	6.6
179.07109	3.6
181.10101	6.8
183.08157	3.0
183.11716	21.3
185.09688	9.8
185.13271	20.2
187.03920	2.7
187.07584	5.1
187.11206	7.3
189.05470	6.8
189.09128	3.3
189.12701	2.9
191.10674	4.0
193.08582	2.2
193.10129	4.7
195.08119	2.2
195.11690	6.1
196.08653	1.9
197.09644	7.8
197.13290	4.8
198.10426	3.8
199.07530	3.5
199.11159	16.8
200.12120	2.7
201.09180	3.6
201.12756	5.5
203.10672	3.2
203.14272	2.4
205.10205	2.8
206.10895	2.4
207.11714	5.1
208.12418	2.5
209.09647	3.2
209.13277	3.5
211.07648	2.7
211.11221	9.4
211.13019	2.3
213.09099	5.0
213.12778	22.4
214.13196	2.0
215.08641	3.2
215.10689	4.5
217.08545	4.2
217.10333	3.3
217.12085	3.7
219.09903	2.3
219.11702	4.9
221.13260	4.6
223.11218	3.0
223.14886	2.5
224.11945	2.2
225.09036	2.9
225.12787	2.1
227.10606	3.8
227.12703	4.4
229.12306	7.7
229.14357	2.4
230.10910	3.4
231.10011	3.2
231.11858	2.8
231.13785	15.6
232.12425	2.9
235.14893	2.0
241.12210	6.4
242.10910	3.6
243.11717	4.9
244.12579	2.9
245.13261	5.5
246.10329	2.9
247.11168	4.1
249.12682	2.3
249.16501	2.0
251.10764	2.5
255.11644	4.1
256.12393	3.5
257.13559	3.1
258.14032	2.7
259.13034	11.3
260.11917	3.8
261.12680	2.1
265.12448	3.7
270.14014	5.6
271.14740	7.9
272.15530	2.0
273.12561	3.3
277.14395	6.1
283.11243	3.2
283.14728	3.5
285.16382	8.1
286.13632	2.5
286.17038	3.3
287.10806	2.4
287.14304	3.6
287.17731	3.8
288.14911	1.9
289.12271	3.0
289.15643	2.6
291.13629	1.9
296.11908	2.3
297.12781	3.0
298.13492	3.4
299.14401	6.1
301.15784	3.3
303.13730	3.6
303.17358	4.8
305.15359	2.3
311.65872	1.9
313.15836	7.7
314.17087	2.0
315.13727	3.0
315.17297	2.9
317.15274	4.4
317.18942	2.2
327.13776	3.0
327.17441	5.5
329.15298	2.1
331.16815	9.4
337.16107	2.0
340.14780	3.4
341.15369	7.0
343.13217	2.8
343.16949	2.4
345.18448	7.4
347.16275	2.6
349.17963	3.1
355.16910	8.3
357.18326	3.8
358.15466	2.4
359.16562	9.4
363.19708	4.1
373.18063	18.9
377.17532	6.1
383.16403	4.3
389.17612	4.5
391.19138	14.8
401.17603	23.3
407.18610	4.0
409.20068	5.1
419.18530	43.7
437.19577	34.3
440.26941	2.8
455.20657	6.8
497.21536	5.7
516.47229	2.2
637.29419	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	637.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	10.7
53.04161	1.9
55.01862	2.8
55.05519	24.2
57.03419	2.4
67.05527	8.5
69.03423	6.2
69.07066	3.8
71.05000	4.3
77.03931	3.1
79.05503	9.4
81.03426	8.2
81.07066	11.1
83.04987	33.9
83.08636	2.1
91.05498	21.5
93.07047	14.7
95.04979	14.1
95.08591	7.3
97.02894	1.8
97.06499	3.1
99.04456	2.5
103.05479	6.5
105.03403	100.0
105.04514	6.4
105.07035	29.2
107.04941	2.0
107.08607	9.9
109.02899	2.6
109.06501	5.6
109.10165	3.2
111.08136	1.7
115.05460	7.2
115.99212	1.7
116.06276	3.2
116.13520	1.7
117.07037	17.5
119.04937	5.3
119.08588	24.1
121.06496	7.4
121.10131	5.7
123.08063	2.6
126.83361	1.9
128.06221	5.0
129.06996	10.9
131.04942	10.3
131.08580	15.0
133.06520	12.1
133.10149	17.0
135.04454	1.8
135.08052	9.0
137.06023	1.9
137.09575	1.9
141.06920	4.0
142.07777	8.0
143.08574	16.9
145.06503	9.6
145.10153	11.4
147.08038	12.9
147.11690	3.4
149.06023	2.6
149.09633	8.2
153.06985	4.2
154.07768	2.8
155.08565	8.1
156.09387	13.6
157.06526	4.3
157.10149	26.2
158.10899	2.3
159.04427	4.1
159.08102	14.6
159.11684	9.2
161.06020	13.6
161.09625	14.5
163.07512	6.5
163.11172	3.0
165.07001	5.7
165.09093	3.1
167.07204	2.0
167.08566	6.2
168.09320	1.8
169.06480	1.9
169.10147	15.3
170.10924	9.6
171.08087	8.1
171.11719	38.3
172.08835	2.3
172.12357	1.9
173.06088	8.3
173.09642	14.9
173.13205	4.2
175.07610	10.2
175.11182	3.8
177.05493	3.5
177.09085	4.9
179.07043	3.6
179.08415	3.6
181.10101	4.8
182.10855	2.7
183.08063	7.0
183.11707	26.4
184.08887	4.0
184.12292	2.4
185.09656	10.3
185.13310	22.8
187.03918	2.4
187.07591	5.0
187.11197	9.5
187.14738	2.4
189.05475	5.7
189.09099	5.3
189.12685	3.3
191.07004	2.4
191.08569	2.2
191.10645	5.1
192.09395	3.6
193.10133	4.9
194.10854	3.2
195.07993	3.2
195.11761	10.2
197.09584	7.9
197.13293	6.3
198.10387	3.8
199.07494	2.9
199.11221	22.4
200.11882	2.0
201.09138	6.2
201.12758	6.2
203.08850	2.1
203.10677	4.9
205.04901	2.3
205.10176	4.3
206.10979	5.0
207.11682	7.5
208.12523	2.7
209.09616	3.4
209.13269	7.1
210.10344	2.3
211.07442	3.3
211.11137	9.4
213.09164	6.6
213.12732	21.0
215.10712	6.4
215.14180	2.7
217.08539	4.8
217.10204	5.3
217.12296	4.8
218.10893	4.9
219.11790	4.8
220.12396	3.7
221.09645	3.4
221.13234	7.5
222.14117	2.3
223.07547	2.5
223.11229	3.7
223.14793	3.4
224.12001	2.0
225.09094	2.7
227.10666	5.2
229.10240	2.3
229.12239	6.8
230.10895	4.2
231.11734	3.9
231.13731	19.1
232.12334	3.6
233.09592	3.8
233.13345	3.3
234.14107	2.7
235.11288	3.6
235.14850	4.4
237.09077	2.4
237.12755	4.5
237.16377	3.2
239.10786	3.7
241.12305	8.8
243.11763	4.4
243.13867	3.1
244.12463	5.0
245.13251	6.9
245.15411	2.8
247.11177	5.7
247.14848	6.1
249.12654	4.6
251.10771	3.2
251.14502	2.6
254.10884	2.5
255.11603	5.7
256.12531	4.4
257.09451	2.4
257.13306	6.5
258.14047	2.9
259.09415	3.3
259.13077	13.8
260.11865	2.5
261.12656	3.3
263.10620	3.7
263.14432	2.9
265.12305	1.9
265.15900	2.4
267.11743	2.9
268.12479	4.4
269.13196	5.4
270.10559	1.6
270.13986	6.5
271.11362	3.4
271.14822	8.2
272.11905	2.1
272.15497	2.8
273.12592	3.7
273.16342	4.1
274.17169	2.1
275.14334	3.5
277.14554	2.6
279.13934	2.5
283.11060	3.2
284.15189	2.8
285.12766	6.7
285.16357	5.6
286.17172	3.1
287.14337	5.3
287.17612	2.3
291.13876	2.9
291.17133	2.4
295.14795	2.1
297.16422	3.7
298.13669	3.5
299.10641	2.3
299.14264	6.1
299.17740	3.7
300.15109	3.9
301.12173	3.6
301.15836	4.8
301.19373	2.4
302.13016	1.9
303.13681	3.6
303.17294	3.3
305.11902	2.4
305.15320	3.9
307.13409	2.4
309.16458	2.2
310.13388	1.9
311.14227	3.6
311.17783	2.4
312.15082	3.9
313.12228	4.0
313.15817	4.5
315.13776	3.5
315.17169	3.1
316.14554	1.9
317.11884	2.0
317.15326	4.4
317.18817	2.8
319.16949	3.2
325.15793	2.7
326.12888	2.5
327.13843	3.7
327.17456	6.6
329.15219	5.1
329.18829	2.3
331.13330	2.5
331.16846	8.9
333.18704	2.2
340.14453	3.5
341.15250	8.0
342.16080	3.5
343.13144	2.2
343.16901	5.6
345.18469	6.6
347.16284	5.2
347.20090	3.9
349.18008	5.0
355.16904	9.8
357.18454	4.0
359.16302	14.1
361.14111	2.7
361.17935	4.2
363.19553	5.1
371.16153	3.4
373.13852	3.0
373.18002	27.4
375.19803	4.3
377.17676	9.7
379.18982	2.8
383.16431	5.8
389.17386	5.7
391.19037	22.1
395.18729	2.8
401.12704	3.3
401.17493	31.0
401.22546	3.3
407.18555	4.3
409.20142	9.1
417.20453	5.7
419.18585	63.1
437.19626	46.4
440.27115	4.1
455.20709	10.0
473.01617	2.2
479.20944	11.3
497.21555	8.6
515.23083	2.7
533.27252	1.8
537.24939	3.5
619.25793	5.4
637.30151	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	636.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
54.86014	1.7
55.01865	4.9
55.05272	2.5
55.05516	34.3
55.07074	1.5
57.03436	5.3
57.07077	12.9
58.29047	1.6
67.05517	20.5
69.03438	3.5
69.07064	11.0
69.21879	1.5
71.08633	8.8
72.59782	1.6
77.77986	1.6
77.78423	1.5
79.05498	17.1
81.07061	18.0
82.93991	1.7
83.04952	1.9
83.08620	20.3
85.10174	5.5
88.57125	1.8
91.05483	20.7
93.07063	9.9
95.04982	2.1
95.08624	11.0
97.10178	42.6
103.05457	1.9
105.07055	5.0
107.08595	15.5
109.06566	2.0
109.10158	9.6
111.08166	2.0
111.77213	1.8
115.05515	2.5
117.07025	15.4
119.08593	35.8
119.32455	1.6
121.06477	2.0
122.78331	2.0
125.09637	32.2
131.08553	3.4
135.08064	6.1
143.08591	4.0
145.06480	14.9
145.10107	2.6
147.08044	2.4
153.09105	4.4
157.10127	2.9
159.08058	5.7
171.10214	1.7
173.09645	4.1
189.11244	23.0
227.12801	100.0
228.13335	1.9
271.16946	32.6
289.17963	7.9
313.27405	19.7
345.20651	9.9
363.21750	9.4
483.36691	8.3
507.40344	2.0
512.72327	2.1
516.78162	1.8
583.43774	10.1
601.44690	23.4
636.49060	3.2
637.28839	2.4
659.32367	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30534	0.9
51.02372	1.0
51.56535	1.1
53.03942	3.2
55.01860	1.5
55.05262	1.4
55.05514	19.2
57.03444	6.7
57.07090	5.6
59.04734	0.9
65.03918	1.8
67.05509	48.6
69.07072	35.6
69.18931	5.9
69.19343	3.9
71.04983	1.6
71.08633	2.5
72.45004	0.8
79.05053	1.8
79.05495	23.9
81.07061	53.3
83.04993	2.2
83.08626	19.0
85.06541	2.9
85.10149	0.8
85.95653	0.9
85.97975	0.9
91.05487	35.2
93.07047	21.9
95.04969	1.7
95.08614	50.8
97.06532	3.4
97.10179	12.3
99.08092	1.5
103.05491	1.2
105.04509	1.3
105.07035	19.3
107.08600	10.3
109.06533	1.4
109.10162	20.6
111.08090	1.2
111.11732	3.5
115.05441	1.2
117.07021	7.5
119.08608	15.2
121.10150	14.0
123.08036	1.6
123.11719	6.7
125.09635	1.2
129.07031	4.6
131.08578	18.0
133.10146	16.3
135.08032	1.8
135.11691	9.7
137.09641	1.7
137.13232	1.1
139.11209	1.6
141.07008	1.5
145.10132	8.4
147.11690	8.4
149.13274	2.3
151.14771	1.4
153.12721	1.5
155.08556	1.5
155.71986	1.0
157.10136	4.1
159.11723	3.0
161.13228	4.8
169.46866	1.1
171.11691	2.8
173.13397	1.2
175.14806	1.3
183.11678	1.4
217.19579	2.8
235.20561	2.1
239.18036	1.1
240.12711	1.0
253.21526	1.4
257.18915	2.3
275.20081	8.8
298.35745	1.2
325.23715	4.3
327.25314	85.4
349.23761	28.4
351.25235	2.6
353.27023	1.1
387.40298	0.9
433.81039	1.1
467.80402	1.2
583.44031	1.7
601.44666	100.0
602.44812	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	636.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01872	0.7
55.05507	4.3
57.03424	0.9
57.07059	1.0
63.07236	0.5
65.03939	0.7
67.05176	1.0
67.05508	16.8
69.03424	6.5
69.07072	4.4
69.71613	0.6
71.01339	1.2
71.05003	3.2
79.05065	0.8
79.05498	12.2
81.03431	7.8
81.07057	20.4
83.04980	4.2
83.08600	1.7
85.02911	3.8
86.06906	0.7
91.05482	9.1
93.07041	15.2
93.07624	0.8
94.06573	1.3
95.04980	3.1
95.08051	1.0
95.08613	13.6
95.75488	0.6
97.02906	5.1
97.06525	1.2
97.10152	0.7
98.21519	1.6
99.04443	1.1
103.05508	0.9
105.07043	10.7
107.04960	0.8
107.08597	30.6
109.02886	2.4
109.06504	2.0
109.10156	79.1
111.04438	3.0
111.08060	1.1
113.05990	3.1
114.57037	0.7
117.07012	2.3
119.08572	9.0
120.72552	0.6
121.06533	1.4
121.10132	7.6
123.04393	1.0
123.08095	0.9
123.11703	23.3
125.09614	1.1
127.03909	3.6
128.06267	1.0
129.07014	1.5
131.08574	5.0
133.06468	1.0
133.10133	45.7
135.11702	7.5
137.09596	5.6
137.51799	0.5
143.08554	2.4
145.06471	1.1
145.10138	4.1
147.08066	1.1
147.11711	2.9
149.09575	1.4
149.13248	2.2
151.11182	73.0
152.11491	0.6
155.08582	0.7
157.10133	1.3
159.11682	3.0
161.09650	3.3
161.13263	1.6
163.14850	1.0
165.09143	0.6
165.51732	0.6
169.10196	1.6
171.11687	2.0
173.09644	1.0
173.13240	2.3
175.14754	0.7
179.10675	100.0
180.10962	0.9
181.10216	0.6
185.09613	0.7
185.13181	1.2
197.11743	20.5
197.13278	0.9
199.14806	0.7
209.10620	0.8
215.14238	0.7
221.10770	0.7
223.08638	0.7
223.12167	0.8
231.21394	0.6
243.21083	1.3
249.10204	1.6
250.10648	0.7
251.11728	0.9
259.20309	0.9
261.22107	3.3
277.21719	3.2
279.23306	0.7
291.23294	1.0
301.21466	0.9
303.23132	1.7
315.23322	0.9
319.22592	0.9
327.23264	1.2
337.11737	1.0
341.24664	1.4
345.24307	1.1
351.23117	1.9
369.24237	6.9
387.25229	6.8
403.15054	0.9
405.26346	5.0
416.15924	1.0
423.27325	2.7
433.19931	0.9
444.19513	0.8
445.24240	1.3
446.21198	0.8
461.19662	1.4
473.23425	1.8
474.19647	0.8
489.19055	2.1
490.19681	1.9
491.20538	1.0
502.19339	2.6
517.21289	0.7
521.22345	0.9
534.22021	0.6
549.21399	2.6
562.21411	0.7
575.22955	1.6
576.22937	20.0
576.29968	6.4
577.23877	1.9
604.30023	6.3
636.25653	25.7
636.41980	0.9
637.26312	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	636.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.3
53.03957	3.1
53.58297	1.1
55.05508	3.1
61.00556	1.1
67.05496	3.1
68.85971	1.1
69.03421	2.6
69.18249	12.6
79.05476	3.0
81.07036	4.0
83.04967	3.2
91.05494	10.6
93.07028	4.3
95.04960	3.1
95.08600	2.8
97.06516	2.2
98.21524	3.0
103.05474	48.3
104.05791	5.5
104.50663	1.2
105.03392	3.9
105.04502	1.5
105.07035	9.7
106.07368	1.9
107.08588	4.2
109.06501	1.6
115.05444	4.1
116.06093	1.3
117.07033	8.2
119.08594	14.5
121.06477	1.9
121.10124	1.7
123.04411	1.4
128.06229	3.4
129.07010	3.9
131.04933	100.0
131.08574	7.5
132.05276	16.7
133.06509	3.3
133.10147	13.7
134.10452	1.3
135.08038	2.4
141.06984	2.0
142.07741	4.1
142.38301	1.2
143.08545	7.4
145.06491	3.8
145.10135	6.9
147.08064	6.0
147.11696	2.2
149.05927	1.4
149.09622	3.8
155.08543	3.4
156.09277	4.5
157.10133	14.0
158.10739	1.6
159.08029	5.7
159.11707	7.0
161.05971	5.3
161.09619	5.9
163.07550	8.4
163.11229	1.3
165.07072	1.9
165.09084	2.0
167.08476	1.3
168.09315	2.3
169.10139	8.4
170.10800	4.0
171.08020	2.9
171.11687	18.8
172.12036	4.0
173.09624	5.1
173.13171	4.2
175.07594	6.8
175.11272	1.6
177.09099	5.7
179.08493	2.3
179.10706	1.9
181.10114	3.9
182.10695	1.5
183.08086	1.2
183.11710	14.7
184.08752	1.7
184.12091	2.1
185.09637	2.5
185.13257	18.4
186.13521	2.3
187.11169	5.1
189.05418	1.9
189.09091	3.6
189.12767	1.6
191.06958	1.6
193.10144	3.5
193.32477	1.2
193.51292	1.4
195.08272	1.2
195.11656	4.4
197.09503	2.7
197.13229	4.2
198.14966	1.3
199.11172	6.8
201.09109	2.8
201.12709	5.4
206.10805	1.5
207.11671	3.5
208.12196	1.7
209.13268	3.4
211.07422	1.3
211.11147	2.9
213.12721	12.5
214.13173	2.3
215.10667	3.4
217.10187	2.1
217.12120	2.3
218.10919	2.3
219.11742	2.8
220.12454	2.0
221.13232	5.7
223.11234	2.0
223.14771	2.0
229.10277	1.7
229.12135	2.4
230.51750	1.2
231.11774	2.3
231.13794	4.2
233.15341	2.5
241.12267	3.8
243.11740	2.3
243.13792	3.6
245.13226	1.9
245.15424	5.1
253.12166	1.6
258.13721	3.7
263.16501	1.5
269.13211	1.5
271.14783	1.3
273.14777	6.2
277.12091	1.6
285.12839	1.7
285.16241	2.1
287.14267	1.7
291.15958	5.2
299.95761	1.6
302.12601	1.4
303.13849	2.0
305.15204	1.6
317.15250	1.8
317.18817	1.4
318.15762	1.6
319.16882	2.1
329.15326	1.6
331.16830	6.4
331.85434	1.7
333.14899	1.7
333.18408	5.9
342.15750	2.0
343.16943	6.7
344.17426	1.6
345.18393	3.6
347.16187	1.7
347.20053	3.2
349.18152	1.7
357.18323	7.8
359.16333	1.6
361.17957	4.7
373.17999	7.0
375.19498	8.3
377.17447	3.3
385.17953	2.2
391.19055	3.0
392.19199	1.9
393.20346	2.0
402.17349	1.4
403.19000	9.1
405.20700	4.3
406.21335	1.6
407.22137	4.2
417.20612	4.1
420.18787	2.6
421.20105	8.6
423.21286	2.9
434.20505	2.1
435.21680	14.7
438.19922	2.7
439.21097	5.0
452.21408	4.8
453.22766	7.4
470.22189	3.9
471.23660	3.3
488.23593	1.7
587.26233	3.9
619.28815	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	636.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.9
51.34700	1.6
53.03941	3.3
55.01876	8.8
56.14149	1.8
60.08152	2.3
63.30375	1.4
67.05506	3.2
69.03421	4.2
69.78096	6.6
69.78517	2.8
79.05495	10.4
80.90601	1.7
81.03416	12.3
81.07065	3.0
91.05486	18.2
93.07048	4.5
95.04964	8.6
96.70013	1.6
103.05467	53.2
103.06143	3.4
105.07030	6.9
107.04958	11.2
107.08608	4.4
109.06534	2.6
115.05451	4.9
116.06266	2.2
117.06979	8.2
119.04881	2.5
119.08588	20.6
119.79314	1.4
121.06532	3.3
121.10194	1.5
128.06271	2.8
129.06972	13.1
131.04929	100.0
131.08575	14.2
133.06467	3.9
133.10110	9.8
135.08099	3.2
142.07771	3.2
143.08528	7.5
144.05594	2.8
145.06490	7.7
145.10149	7.2
147.08043	40.3
149.09610	25.6
155.08537	3.5
156.09393	3.9
157.10130	22.4
158.10800	1.6
159.08058	44.9
159.11690	21.6
161.09610	24.6
169.10095	11.4
171.08054	3.4
171.11691	14.6
173.05984	2.3
173.09618	10.1
173.13219	8.1
175.07515	13.8
175.11227	2.4
177.09161	1.7
181.10094	2.4
182.07236	2.1
183.08105	2.2
183.11696	11.7
185.09657	4.0
185.13269	4.9
187.11217	6.5
189.29547	1.4
191.10687	3.8
195.11632	4.0
197.09619	3.7
197.13316	4.4
199.11119	7.6
201.12778	5.6
203.10773	1.7
207.11674	3.8
209.09445	2.1
209.13373	1.8
211.11238	3.7
211.51167	1.5
213.09186	2.0
213.12701	2.3
215.10655	3.5
215.28987	1.5
217.12218	4.4
218.63420	1.7
221.13210	2.2
223.11267	2.8
223.14838	3.1
225.12784	9.0
227.10738	4.0
229.12250	8.2
231.13852	2.7
233.13301	3.0
233.15240	8.7
235.11195	2.3
235.14864	2.0
237.16325	1.9
239.14342	2.8
243.13809	3.0
245.15446	2.2
247.11255	2.1
247.14822	2.2
249.12804	2.3
251.14372	2.5
261.14978	4.8
263.14285	3.5
265.15906	4.3
275.14359	3.0
287.14554	2.4
303.17398	2.0
315.17325	8.4
317.19125	2.3
319.20682	2.0
329.18936	4.3
333.18555	9.4
343.16998	2.9
345.18481	1.9
347.20056	8.2
357.18484	4.2
361.18036	3.0
367.18887	2.3
375.19543	13.5
379.22852	3.3
389.20908	8.8
391.22635	5.3
403.19034	4.8
405.20914	2.0
407.22122	34.4
417.20572	12.4
425.23245	19.4
435.21655	41.8
453.22855	19.1
583.26569	3.5
601.27777	8.6
637.29486	6.1
639.86530	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00094	2.1
51.02374	2.6
53.03952	5.1
54.47805	2.0
55.01864	3.1
55.05518	6.4
67.05508	9.1
68.62355	1.9
69.03434	4.4
69.07071	6.4
69.26189	4.8
69.26585	18.3
74.09737	2.7
78.56219	2.0
79.05496	11.8
81.03421	9.7
81.07073	10.5
83.04984	14.4
83.08648	2.4
91.05498	15.2
93.07053	11.0
95.04964	13.8
95.08631	7.5
97.06538	2.9
98.20731	2.9
103.05479	46.4
104.05760	2.9
105.03398	37.6
105.07050	24.0
106.03731	7.0
106.07367	2.5
107.04959	3.1
107.08604	15.2
109.02847	2.4
109.06550	7.1
109.10163	8.5
115.05433	4.1
117.07027	12.1
119.04858	2.3
119.08595	18.1
120.81954	2.3
121.06528	4.4
121.10147	4.7
123.08038	3.3
123.11708	3.3
128.06157	3.0
129.07028	4.9
131.04938	100.0
131.08588	11.9
132.05276	10.0
133.06464	10.1
133.10126	17.2
135.08055	6.2
135.11717	2.3
142.07805	4.8
143.08617	10.6
145.06482	14.6
145.10103	11.7
147.08066	9.6
147.11708	4.7
149.05994	3.1
149.09639	9.0
151.11201	7.7
153.07001	2.8
153.37547	2.0
155.08595	5.0
156.09293	8.0
157.10153	20.9
159.08055	6.8
159.11687	11.0
161.06009	13.6
161.09671	7.3
163.07565	9.2
163.11217	5.3
165.09111	3.7
168.09372	2.9
169.10153	9.8
170.10716	2.4
171.08063	6.1
171.11719	25.7
172.08751	3.6
172.12013	4.8
173.06007	4.7
173.09657	9.7
173.13260	3.7
175.11237	2.0
177.09019	4.1
179.08673	3.0
179.10716	3.5
181.10097	4.1
183.08078	3.2
183.11707	27.7
184.12172	5.2
185.09639	6.9
185.13292	19.3
186.13583	5.3
187.07742	2.4
187.11203	8.1
188.11751	2.8
189.09201	5.7
192.09241	2.1
193.10202	3.6
194.10716	2.6
195.11691	11.2
197.09663	5.7
197.13313	4.8
198.10301	5.0
199.07545	2.9
199.11221	10.0
200.11713	3.7
201.12686	3.3
206.11816	6.6
209.13261	4.5
211.11224	9.6
213.12753	36.3
214.13171	7.9
215.06908	3.0
215.10759	3.7
217.08574	3.2
217.12071	3.0
218.10777	2.7
219.11815	2.8
223.11195	2.8
223.14665	3.3
225.09138	3.0
229.12267	5.2
229.14313	3.8
231.10074	4.5
231.13887	6.7
237.12709	3.3
241.12299	5.7
243.13908	5.3
245.13356	3.7
245.15439	6.7
247.14929	3.9
249.12633	3.7
255.11630	2.5
258.13785	2.5
259.10925	2.9
271.14288	2.4
273.12448	2.2
273.14951	17.2
289.15659	2.9
291.15924	10.9
299.14307	2.9
303.13812	2.4
315.17444	3.0
329.19101	3.2
331.16721	3.7
335.25784	11.0
339.17590	2.2
343.16769	4.3
353.26785	4.3
357.18359	4.4
358.18808	3.5
361.17859	3.3
369.20319	2.7
375.19464	7.4
376.19958	2.9
379.18985	2.9
385.17957	5.2
386.18118	3.7
399.08606	2.1
403.19006	7.5
404.19333	4.3
406.20819	2.6
417.20697	4.5
418.20889	4.5
421.20099	7.6
435.21802	10.3
436.22055	5.3
439.26987	7.5
453.22729	11.2
471.23590	3.4
583.27142	2.6
601.27893	5.8
636.32330	17.5
637.26776	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	635.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	3.9
53.03936	6.4
55.01874	4.2
55.05495	12.4
65.03910	3.2
67.05521	17.8
69.03429	6.2
69.07053	3.4
69.87779	15.2
71.04991	5.8
78.16311	2.5
79.05504	25.0
81.03402	10.7
81.07070	15.3
81.18944	3.1
83.05002	13.8
85.02892	6.3
86.62395	2.5
91.05473	33.2
93.07038	22.8
95.04955	24.2
95.08616	17.2
97.06501	7.4
98.21400	4.7
103.05485	23.1
103.36701	2.3
104.05814	3.7
105.02709	4.7
105.03396	66.0
105.04462	5.4
105.07043	41.6
107.04968	8.4
107.08562	15.6
109.06508	12.2
109.10166	4.9
115.05434	5.0
117.07031	20.6
119.08591	30.1
121.06482	7.8
121.10136	8.6
123.08068	24.7
123.31810	3.1
128.06233	8.6
129.07024	17.1
130.07793	4.7
131.04947	44.0
131.08582	29.3
132.05260	9.3
133.06464	9.0
133.10152	22.5
135.08011	10.5
135.11745	3.2
137.31035	2.7
141.06944	5.6
142.07759	11.5
143.08577	27.9
145.06458	12.2
145.10115	35.6
147.08072	13.8
147.11646	4.5
149.09613	10.5
153.06934	5.5
154.07785	3.7
155.08560	16.9
156.09369	15.1
157.06396	4.2
157.10162	37.6
159.08043	12.0
159.11734	16.4
160.74310	3.2
161.05966	13.4
161.09647	18.2
161.13234	3.2
163.07487	9.8
163.11127	8.2
165.06992	6.6
166.07770	5.1
167.08495	7.6
168.09293	8.6
169.10136	66.3
170.10945	16.3
171.08057	10.9
171.11684	61.5
172.12201	3.7
173.06052	6.3
173.09612	19.4
173.13243	10.2
175.07564	9.7
175.11212	3.4
177.09087	7.8
179.08546	9.1
180.09280	4.7
181.10164	13.9
182.10960	4.9
183.08144	5.9
183.11702	100.0
184.12393	9.6
185.09709	13.9
185.13242	34.5
186.10437	4.5
187.07457	3.1
187.11128	13.3
187.14711	3.3
189.09126	8.3
189.12706	3.3
190.09941	4.2
191.08588	3.5
191.10585	3.7
192.09224	3.0
193.10139	12.9
194.10959	5.6
195.11687	18.8
196.12398	3.1
197.09592	9.3
197.13284	20.4
198.10341	5.3
199.11198	39.2
201.12715	7.5
203.08624	3.4
205.10139	8.7
205.11969	3.3
206.10910	7.8
207.11728	15.8
208.12383	3.6
209.09718	6.6
209.13281	15.5
211.11220	16.0
211.14732	4.8
213.09030	3.3
213.12737	35.8
215.08655	3.9
215.10651	2.9
217.10156	3.4
219.11723	8.7
220.12439	5.9
221.13246	14.6
223.11234	5.7
223.14719	14.2
224.11948	2.7
225.12698	4.3
225.16289	4.5
229.12210	3.8
230.10898	3.4
231.11612	9.3
231.13792	12.4
232.12477	8.1
233.13170	9.1
234.13942	5.8
235.11133	4.6
235.14761	10.6
237.12849	6.0
237.16359	10.2
239.14426	4.8
243.11760	3.9
243.13838	4.4
244.12425	5.8
245.13135	8.5
245.15346	8.5
246.13789	5.0
247.11105	3.1
247.15007	13.4
248.15599	3.7
249.12677	4.8
249.16386	10.2
250.13397	3.0
253.12181	4.4
255.13945	4.0
255.17422	3.6
256.12259	3.5
257.13232	4.7
259.14841	8.8
261.12637	5.5
261.16504	6.4
262.13333	3.6
263.17975	4.0
266.10748	3.7
267.17496	5.1
270.14093	4.8
271.14764	6.4
273.16611	4.0
275.14359	8.6
275.17926	7.5
277.19482	3.3
279.17575	6.0
287.14331	4.1
288.15024	3.3
289.15652	4.4
291.17242	2.8
293.19070	9.2
299.17798	3.6
305.18903	3.7
307.20660	4.1
311.17786	3.0
315.17349	8.6
315.20895	3.9
317.15408	4.0
319.16803	3.1
327.17261	4.7
329.15292	3.7
329.18839	4.7
331.16708	4.0
332.17285	4.2
332.21140	3.8
333.18390	5.3
343.16760	7.1
343.20578	14.5
345.22076	5.3
347.20007	7.0
357.18433	8.3
360.20795	5.9
361.17731	5.9
361.21722	6.2
363.19284	5.5
363.23315	3.7
369.20609	3.2
373.21786	6.9
375.19290	7.0
375.23499	6.9
378.21924	3.0
381.20255	4.5
385.17880	9.2
385.22690	2.9
391.22607	10.1
393.24277	4.1
395.22061	9.8
397.23706	4.3
403.18903	9.5
407.22275	3.5
409.23822	25.1
417.20480	8.3
421.23633	9.0
427.24738	3.5
433.19635	3.2
435.21704	11.3
439.25024	15.1
453.22668	6.1
457.25543	13.0
473.28741	4.0
498.31100	3.2
535.25958	3.6
604.33514	3.1
635.30859	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	635.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
54.67909	1.8
55.01876	11.6
55.05267	3.1
55.05516	51.4
67.05496	8.1
69.03424	7.0
69.07087	3.4
69.42265	8.0
69.42686	6.1
77.08205	1.8
79.05500	18.9
81.03425	18.0
81.07066	7.0
83.04988	100.0
85.02959	2.3
91.05483	29.2
93.07026	9.0
95.04971	13.7
95.08619	4.7
97.02847	2.4
101.06007	5.2
103.05455	4.6
105.07047	17.9
107.04967	15.5
107.08598	6.2
109.06547	3.9
109.10141	4.4
115.04071	1.7
115.05449	6.2
116.06210	4.3
117.07047	16.4
119.04949	1.9
119.08588	38.4
119.11990	1.8
121.06532	3.7
121.10146	6.0
128.06223	6.6
129.07008	19.9
131.04926	3.9
131.08568	27.3
133.06503	4.2
133.10164	12.6
135.07999	4.3
141.06975	5.1
142.07782	4.4
143.08583	15.0
144.05757	3.1
145.06497	14.9
145.10120	13.7
147.08061	65.0
149.09634	26.0
155.08534	4.9
155.75395	2.0
156.09331	4.7
157.10136	32.7
159.08063	39.5
159.11694	40.1
161.09639	29.5
165.07013	2.7
167.08578	2.5
169.10152	21.4
170.10976	2.1
171.08052	4.2
171.11694	22.2
173.05981	3.7
173.09633	13.7
173.13268	14.4
175.07564	19.1
175.11230	2.9
179.08595	4.6
181.10144	4.5
183.11705	23.9
185.09642	7.8
185.13329	6.8
187.11205	8.1
189.09155	3.3
191.10812	3.0
193.10146	6.7
194.10925	3.7
195.11728	7.2
196.12410	3.1
197.09685	10.9
197.13268	6.6
199.11229	8.5
199.14870	2.2
201.09290	2.9
201.12721	10.5
202.16064	2.2
206.10968	3.6
207.11719	7.0
208.12549	4.2
209.09634	3.6
209.13275	7.1
211.11214	8.2
211.14793	4.2
213.09131	2.7
213.12810	3.8
215.10739	6.9
215.14203	2.0
217.12192	4.0
219.11748	3.3
220.12439	3.0
221.09584	2.0
221.13303	6.7
223.11208	5.0
223.14691	3.2
225.12686	9.1
227.10727	6.2
229.12219	11.4
231.11810	2.6
231.13844	3.3
232.12485	3.3
233.13373	3.4
233.15352	11.0
235.11351	4.3
235.14825	2.3
237.12807	5.1
243.11647	2.6
243.13863	5.2
246.14148	3.0
249.12730	4.7
251.14331	3.3
256.12543	2.1
259.11191	4.1
261.12531	2.9
261.14819	11.6
263.14340	5.1
265.12482	2.5
273.12585	2.3
275.12473	2.1
285.12836	4.9
286.13434	2.4
287.14395	2.5
287.17871	2.7
289.15839	3.8
291.13855	3.0
291.17166	2.6
299.14352	5.8
300.15347	4.5
301.16080	2.8
301.19565	2.2
303.17358	2.7
305.18869	3.4
313.12387	2.1
313.16028	2.9
314.16583	2.4
315.17404	16.3
317.15378	2.7
319.17105	2.7
323.16211	2.7
325.15857	3.6
329.19028	7.7
331.16983	2.9
331.98575	2.3
333.18585	14.1
343.16968	7.7
347.20148	7.6
357.18420	7.9
361.18076	3.4
371.19656	2.1
373.17822	2.1
375.19461	17.3
385.17780	5.4
389.21094	18.7
399.19788	3.0
403.19110	9.8
405.20471	2.5
407.22205	40.1
417.20660	24.4
435.21655	34.8
517.25696	2.6
535.26556	5.3
575.22827	10.0
635.25061	12.4
635.41327	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	635.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50107	3.0
51.82856	3.3
53.03946	8.3
55.01876	17.9
55.05515	39.6
67.05500	9.9
69.03425	24.0
69.07079	7.7
69.24371	29.4
79.05492	15.3
81.03420	14.4
81.07069	7.8
82.11190	2.8
83.04984	69.7
83.71313	2.7
86.79868	2.9
91.05485	49.2
93.07027	15.6
95.01332	3.8
95.04970	21.5
95.08600	8.3
98.21481	4.7
101.02446	3.1
103.05462	4.2
105.03407	23.7
105.07044	31.4
107.04940	10.3
107.08598	12.2
109.06511	6.0
115.05441	17.1
116.06236	5.2
117.07013	32.2
119.04913	3.3
119.08578	52.5
121.06501	8.3
121.10131	8.9
123.08049	4.1
128.06212	13.6
129.07013	26.6
131.03558	2.8
131.04935	6.2
131.08598	26.0
133.06502	7.2
133.10141	21.0
135.08087	8.6
141.07007	9.9
142.07806	12.4
143.08574	26.8
144.05701	3.3
145.06473	22.9
145.10132	15.7
147.08055	98.7
147.09236	4.8
149.09592	10.0
151.07571	3.2
155.06035	3.8
155.08580	13.1
156.09370	13.4
157.06522	3.5
157.10141	35.4
158.07263	4.1
158.10904	4.4
159.08070	55.8
159.11662	26.0
161.09639	54.1
163.07545	38.6
165.07050	7.4
167.08490	7.3
168.09334	5.3
169.06496	4.6
169.10161	22.2
170.10963	5.9
171.08107	15.3
171.11667	35.0
173.06026	10.2
173.09666	25.7
173.13260	13.0
175.07565	12.3
175.11284	4.1
179.08589	7.6
180.09384	3.7
181.10118	14.0
182.07343	3.7
182.10913	4.9
183.08083	4.2
183.11736	43.3
184.08823	5.4
185.09590	16.7
185.13271	19.1
187.07549	9.1
187.11203	13.9
187.14833	4.3
189.09166	4.8
192.09305	4.1
193.10138	13.1
194.10973	5.5
195.11716	15.0
196.08842	5.3
197.09634	12.0
197.13205	14.6
198.10500	3.2
199.11168	29.4
201.09152	7.9
201.12762	22.7
206.10928	8.3
207.11754	8.3
209.09612	10.7
211.11209	21.9
213.12674	17.4
215.08513	3.7
215.10667	6.7
215.14320	8.4
217.10185	7.2
218.10991	4.5
219.11757	7.3
220.08905	3.7
220.12569	5.0
221.13287	11.2
223.11237	18.2
223.14935	5.4
225.12756	7.4
227.10681	8.4
229.10187	6.3
229.12196	26.0
230.10918	7.3
231.11737	7.0
233.13390	4.0
233.15465	7.3
235.11230	9.5
235.14706	6.8
237.09186	5.1
237.12749	6.4
239.10757	5.3
241.10063	4.7
241.12262	7.1
243.11690	8.7
243.13968	7.6
244.12383	3.8
245.09515	5.4
245.13409	4.4
246.14064	4.6
247.11188	6.5
247.15070	4.5
248.12062	4.4
249.12688	8.7
249.16486	3.3
251.10620	4.3
251.14250	5.1
255.11623	10.6
257.13339	6.7
258.10349	3.8
258.13885	3.4
259.11008	5.9
259.13370	8.7
260.11938	4.3
261.12692	6.4
263.14310	8.7
268.12445	3.7
269.13153	6.5
270.14066	5.8
271.11050	6.5
271.14832	3.6
272.11838	4.4
273.12628	11.0
274.13480	3.7
275.14410	5.1
280.12579	5.8
283.11102	11.7
283.14456	5.0
285.12756	9.7
285.16226	7.4
287.14243	8.7
293.15536	4.4
295.11331	5.5
295.14694	5.9
297.12741	11.2
298.13541	11.1
299.14426	7.8
300.15027	5.0
301.15768	6.0
303.17487	9.6
309.12759	12.1
311.14261	6.2
312.15042	4.5
313.12347	5.0
313.15833	28.2
315.13846	4.6
315.17459	12.9
321.18613	4.6
323.14261	11.4
324.15054	11.7
325.15704	3.6
326.16504	3.6
327.13803	5.7
327.17493	8.9
328.18167	4.8
329.15564	6.5
329.18976	12.0
331.16962	22.5
338.16718	13.6
341.15372	7.1
341.18988	12.1
343.16977	4.2
343.20508	15.0
345.18475	6.7
347.19995	8.2
349.17902	3.5
353.19000	32.4
356.17792	6.2
357.18518	12.4
359.19971	8.9
361.21667	6.2
371.20096	100.0
375.19611	10.1
376.96063	3.1
389.21118	71.1
403.18958	4.7
407.22104	7.7
417.20505	8.1
431.22147	14.7
435.21805	14.7
449.23276	45.7
453.22708	4.8
471.24533	3.0
481.22055	3.4
535.26587	6.5
549.28131	3.7
617.31299	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	635.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.6
53.03938	7.0
55.01877	17.7
55.05515	69.0
65.03944	1.5
67.05501	5.6
69.03418	4.0
69.28253	13.0
79.05062	2.5
79.05496	30.8
81.03415	24.7
81.07047	6.3
83.04983	100.0
91.05486	37.7
93.07049	7.8
95.01337	2.2
95.04964	15.3
95.08590	4.0
101.06017	4.3
103.05457	10.3
104.05709	1.6
104.06313	1.8
105.03381	1.6
105.04510	2.4
105.07024	18.2
107.04278	2.5
107.04958	25.8
107.08568	4.9
109.06512	5.3
109.10203	1.5
115.05494	7.7
116.06246	3.5
117.07043	16.7
119.04983	1.7
119.08588	42.7
121.06492	5.3
121.10106	4.3
123.08057	2.2
128.06210	7.5
129.07010	28.6
130.07768	2.0
131.04933	18.5
131.08563	27.1
132.05258	4.3
133.06512	7.0
133.10130	13.0
135.08034	6.0
141.06984	5.3
142.07811	6.8
143.08562	15.6
144.05672	2.2
144.09373	2.8
145.06488	22.1
145.10138	15.7
146.07242	1.7
147.08052	86.4
147.11618	1.9
149.09624	43.7
153.07019	1.6
154.07788	2.4
155.06033	1.6
155.08572	6.8
156.09355	7.9
157.06528	3.8
157.10136	42.7
158.07249	3.3
158.10721	1.9
159.08064	51.3
159.11707	41.8
161.08284	3.1
161.09622	46.5
163.07555	2.7
163.11206	3.5
167.08566	3.4
168.09320	2.2
169.10138	22.1
170.10870	2.6
171.08055	6.3
171.11694	29.5
172.08864	1.9
173.05942	5.4
173.09645	13.7
173.13246	14.0
175.07559	27.5
175.11143	2.8
177.09103	4.6
179.08653	2.3
180.09196	1.9
181.10121	5.9
182.07170	2.2
182.10916	3.0
183.08063	4.3
183.11705	26.8
185.09602	8.4
185.13258	5.0
187.07571	4.2
187.11166	12.3
189.09105	4.6
191.10617	4.6
192.09329	2.1
193.10074	7.6
193.12292	1.6
194.10803	2.6
195.08066	3.8
195.11763	7.2
196.12408	2.7
197.09618	10.5
197.13281	8.2
197.14865	1.5
199.11191	11.9
199.14839	1.7
201.09021	3.6
201.12708	9.7
203.08598	2.4
203.10768	1.6
204.09337	2.3
205.10066	4.0
206.10909	4.1
207.11713	10.5
208.09329	1.7
208.12569	2.5
209.09654	6.8
209.13237	7.8
210.10446	3.4
211.11134	8.6
211.14671	3.3
213.09094	2.2
215.10667	8.9
217.10213	2.5
217.12238	4.3
219.11732	3.8
220.08842	1.6
220.12440	3.8
221.13329	8.3
223.11142	6.2
223.14851	4.3
225.09157	2.0
225.12819	12.5
227.10667	4.6
227.14346	2.1
229.10139	3.1
229.12250	17.4
230.10883	3.6
231.11646	4.0
231.13803	6.7
232.12399	2.8
233.13248	4.6
233.15387	11.0
235.11195	6.0
235.14813	3.3
237.12762	6.5
237.16449	3.1
239.10622	2.6
239.14378	5.2
243.11655	2.0
243.13908	7.2
245.11455	2.5
245.13464	2.7
245.15469	3.0
246.13885	1.7
247.11118	2.6
247.15074	3.2
249.12694	4.9
250.13623	1.7
251.14363	6.0
253.12352	1.8
256.12531	1.7
257.13177	3.8
257.15497	3.3
258.14160	2.2
259.11154	3.8
260.11832	2.3
261.12604	3.3
261.14798	7.9
263.14316	5.4
265.15714	3.4
267.13959	1.9
271.14856	4.1
272.11908	1.7
272.15503	2.2
273.12808	3.1
274.13489	2.7
275.14215	5.3
277.12317	2.0
285.12549	3.4
286.13422	1.8
287.14252	4.5
287.17780	1.4
289.12491	1.6
289.15826	5.7
291.14099	3.2
291.17480	4.4
296.15536	1.4
299.13898	2.5
300.15051	4.5
301.15878	4.7
301.19278	1.8
303.14096	2.1
303.17361	3.0
305.15540	1.7
305.18967	6.0
313.15704	2.7
315.17419	19.1
317.15274	3.7
317.18823	2.5
319.16544	1.8
325.15814	3.4
329.19028	8.3
331.16891	3.9
333.18472	22.5
339.17294	2.1
343.16953	12.6
345.18515	1.8
347.19983	14.0
349.17761	1.6
357.18463	15.6
359.16156	1.9
361.18060	5.9
373.17947	1.7
375.15042	2.9
375.19534	32.5
379.22800	3.8
385.18030	9.2
389.21127	20.8
391.18878	4.3
399.19214	2.9
403.18909	14.1
405.20444	4.1
405.88922	1.7
407.22174	67.9
408.22586	1.7
417.14999	1.9
417.20587	34.7
435.21738	48.1
535.26697	5.9
635.37738	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	635.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.8
55.01873	18.4
55.05510	32.3
57.05875	2.6
65.03905	3.6
67.05505	6.0
69.03436	19.9
69.07056	6.7
69.18680	10.8
69.19103	17.1
79.05493	14.4
81.03425	12.7
81.07047	8.1
83.04983	50.6
88.60342	2.6
91.05490	42.0
93.07046	18.4
95.01312	3.4
95.04973	27.2
95.08614	6.1
97.06522	2.9
98.05493	2.3
103.05442	3.8
105.03408	25.5
105.04497	3.2
105.07043	25.5
107.04958	9.6
107.08601	5.4
109.06522	11.4
115.05473	16.5
117.07025	27.5
119.04954	3.2
119.07801	3.7
119.08594	49.3
121.06509	7.7
121.10132	7.3
123.08077	3.7
128.06210	12.3
129.06982	27.0
131.04895	4.5
131.08568	29.8
133.06522	9.0
133.10107	17.8
135.08055	7.8
141.06987	8.0
142.07776	15.8
143.08542	22.3
144.05653	4.2
145.06494	20.5
145.10164	25.8
147.08054	100.0
149.09653	13.6
152.06342	2.9
153.06960	5.8
154.07755	5.2
155.08559	13.1
156.09361	13.8
157.10129	36.0
158.07320	4.9
159.08073	56.3
159.11676	32.6
161.09621	45.4
163.07553	57.2
165.07004	9.3
166.07765	4.3
167.08641	5.9
167.99863	3.2
168.09384	3.7
169.10133	24.7
170.10915	7.0
171.08031	12.1
171.11676	26.0
172.08850	3.8
173.05992	7.5
173.09622	30.9
173.13248	12.6
175.07607	14.6
175.11179	7.4
179.08574	8.9
180.09357	6.2
181.10141	6.9
182.10960	6.0
183.08118	5.5
183.11707	42.7
185.09633	15.3
185.13200	16.5
187.07550	9.5
187.11208	12.5
189.09166	4.6
191.10620	3.8
193.10164	11.1
194.10934	3.2
195.08087	4.5
195.11703	11.7
196.08832	5.8
197.09569	15.6
197.13297	17.7
199.11174	26.4
200.11911	3.0
201.09050	7.8
201.12770	21.1
203.08554	3.4
206.10883	4.2
207.11647	12.1
208.08800	4.6
209.09636	7.7
209.13245	5.3
210.10390	3.1
211.11150	23.6
213.09154	5.4
213.12717	13.3
215.10693	8.3
215.14215	6.6
217.10100	4.1
218.10782	5.4
219.11685	3.4
220.12392	4.1
221.09686	5.1
221.13275	10.1
222.10442	4.5
223.11217	18.6
225.12799	8.0
227.10582	5.4
229.12213	26.8
230.10826	6.3
231.11713	6.8
231.13762	4.0
233.09714	3.5
233.13351	5.1
233.15396	5.7
235.11151	5.0
235.14867	6.7
237.09189	3.5
237.12810	6.6
239.10649	6.4
243.13841	5.4
244.12428	3.5
245.13313	6.4
246.10558	3.6
246.13795	2.6
247.11189	4.6
249.12718	8.1
251.14420	3.4
255.11484	4.8
256.12491	3.2
257.13266	5.3
259.11020	5.4
259.13388	7.7
260.12006	6.0
261.12650	6.5
261.14914	6.9
262.13705	3.6
263.14313	8.5
269.13272	4.7
270.14017	5.9
271.15091	3.9
272.12057	4.8
273.12646	10.2
273.15567	3.2
274.13388	4.1
275.14288	6.0
277.15912	3.3
280.12265	3.7
281.13037	4.5
283.11063	7.2
285.12772	9.2
285.16351	7.8
286.13416	4.4
287.14267	10.5
288.15012	4.0
295.14737	5.2
296.11920	4.0
297.12607	5.8
298.13547	8.5
299.14331	9.5
300.14914	2.9
301.15820	7.2
303.14032	3.2
303.17435	8.8
309.12677	8.9
310.13440	4.0
311.14264	8.3
312.15042	4.8
313.15848	23.5
314.16483	6.4
315.13962	5.9
315.17426	10.4
323.14383	9.0
324.14987	5.6
325.15781	9.4
327.13785	5.8
327.17358	6.0
328.18137	4.0
329.15527	5.4
329.18927	8.3
331.17029	25.5
333.18491	5.8
338.16602	8.3
341.15359	6.1
341.19125	14.3
342.16089	6.1
343.16971	6.2
343.20621	12.0
345.18365	5.1
347.19904	5.9
353.19037	34.5
356.17697	5.1
357.18466	10.4
359.20111	8.6
361.17950	4.0
361.21884	4.3
371.20084	86.7
373.17914	3.8
375.19537	9.2
385.18265	3.5
389.21161	62.0
403.19080	5.0
407.22180	7.8
417.20667	8.5
421.20102	2.9
431.22018	11.2
435.21713	15.5
449.23193	34.0
453.23123	7.9
457.22971	3.7
617.31006	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	635.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08386	2.9
53.03940	6.2
55.01868	6.4
55.05274	3.9
55.05515	58.2
57.03444	3.7
67.05524	15.2
69.03423	10.7
69.07050	10.2
70.06581	4.8
71.55370	4.1
72.08160	4.7
79.05511	18.7
81.03405	11.0
81.07072	29.1
82.06595	14.4
83.04985	100.0
83.06924	3.7
84.08147	3.8
85.02892	12.9
85.06507	4.4
88.66070	2.8
91.05484	27.8
93.07051	26.9
95.04951	15.7
95.08605	26.7
97.02895	6.0
97.06515	9.1
97.10155	2.7
99.04436	4.0
100.06989	5.1
100.07621	70.7
101.07937	8.9
103.05468	7.1
105.03348	3.5
105.07029	26.5
106.40930	3.0
107.04949	10.1
107.08612	18.0
109.02879	5.0
109.06525	15.1
109.10159	8.9
111.04477	8.5
115.05439	7.5
117.07014	13.0
119.04930	8.7
119.07931	3.2
119.08598	37.4
121.06496	12.7
121.10133	13.5
123.04420	8.5
123.08035	10.5
123.11787	3.5
125.09634	3.3
127.03889	3.8
128.06242	6.5
129.06984	11.7
131.04918	12.4
131.08612	25.9
133.06476	11.5
133.10153	21.4
134.93417	2.7
135.04337	4.0
135.08055	14.8
135.11714	3.8
137.05969	12.5
137.09586	4.6
141.06952	6.4
142.07764	11.1
143.08565	22.2
145.05005	3.8
145.06465	13.3
145.10152	25.8
147.04358	4.7
147.08029	15.8
147.11655	6.6
149.05942	5.3
149.09595	9.8
151.07564	3.6
153.05602	3.5
155.08505	9.2
156.09315	11.4
157.10153	31.3
159.08063	19.9
159.11711	14.5
160.09724	20.5
161.05997	11.5
161.09608	20.6
163.07529	12.6
163.11172	3.4
165.06950	7.5
165.09113	6.1
167.07126	4.4
167.08542	9.2
169.10164	19.6
170.10828	9.5
171.08032	13.3
171.11711	41.6
172.08788	3.9
173.05943	5.3
173.09659	22.3
173.13260	8.9
175.07471	6.9
175.11147	4.2
177.09132	7.0
178.07797	3.2
179.07053	6.3
179.08600	8.5
179.10608	7.6
181.08588	4.2
181.10109	9.0
182.10811	4.6
183.08041	6.0
183.11671	27.1
184.08893	4.5
185.09572	15.6
185.13257	22.4
187.07491	3.5
187.11156	14.9
189.05518	3.9
189.09018	5.3
189.12753	5.0
191.06889	2.9
191.10788	3.8
193.10193	16.3
193.11818	2.9
194.10893	5.4
195.11734	16.5
197.09634	9.2
197.13333	14.6
198.10391	6.1
199.11235	25.9
201.09204	5.7
201.12735	5.2
203.10533	5.1
204.09390	5.2
205.10182	6.3
205.12071	2.8
206.10866	5.9
207.11684	14.9
208.12421	5.3
209.02498	3.1
209.09651	5.2
209.13272	11.7
211.11166	12.9
211.14847	4.0
213.09099	7.6
213.12720	36.3
215.10680	5.8
215.14252	6.1
216.09302	4.7
217.12172	7.3
218.10884	3.3
219.11687	9.3
220.12347	6.3
221.13251	14.3
223.11168	8.8
223.14783	8.2
224.11963	3.1
225.12712	8.9
227.10628	7.1
229.12239	7.3
231.11705	8.3
231.13658	19.3
232.12433	8.1
233.13210	10.2
235.11172	7.8
235.14897	14.9
237.12688	6.5
237.16377	5.7
239.14270	5.8
241.10011	4.0
241.12239	11.0
243.11623	6.3
243.13780	6.6
244.12410	5.2
245.09492	4.4
245.13231	10.9
246.14125	7.8
247.11162	6.9
247.14935	16.1
249.12781	4.5
249.16423	6.9
250.13510	5.8
251.14243	9.2
253.12364	4.5
255.11403	3.8
257.13293	5.4
258.14066	7.1
259.13388	10.9
259.15030	3.3
260.15585	5.8
261.12613	7.1
261.16397	13.6
262.13376	5.5
263.10440	3.8
263.14215	9.7
265.12158	3.7
265.15671	6.1
267.13818	7.2
271.14774	6.2
272.11615	3.3
272.15567	5.1
273.12839	4.3
273.16324	6.4
274.13449	5.1
275.14285	6.5
275.17819	14.0
276.14877	3.4
277.15994	5.5
277.19330	3.2
279.17322	6.7
285.12653	6.1
287.14441	4.2
287.17599	5.4
289.15802	9.5
291.17297	8.4
293.18936	8.5
297.12521	3.4
299.14157	5.0
300.14963	5.7
301.15799	4.2
303.14111	4.1
303.17432	9.6
304.14578	3.9
305.15414	4.8
305.18713	7.1
307.16937	7.5
311.20001	4.2
313.11853	3.3
315.17340	8.3
317.18881	4.2
319.16794	9.8
321.14886	5.5
321.18381	21.7
323.19843	5.6
331.16672	3.7
333.18338	10.3
335.16367	5.1
337.17917	8.6
339.19470	11.3
343.16965	5.5
345.18527	7.5
347.19901	3.3
349.17783	4.6
351.19440	4.7
357.20926	4.6
359.16168	4.5
361.18024	16.1
361.39999	3.2
363.19464	4.7
373.17972	4.8
375.19559	13.6
379.18997	19.2
381.16620	4.7
381.20877	4.3
383.22104	3.5
385.17923	8.5
391.18939	10.2
393.20392	12.6
397.19995	12.6
399.21823	5.3
403.19052	26.7
409.20032	7.6
411.21484	9.6
417.22330	3.6
421.20132	44.8
439.21194	53.9
453.22348	3.5
455.19672	3.3
457.22205	38.4
463.21274	4.6
475.23419	18.9
481.21939	13.1
499.22946	17.4
517.24310	13.6
521.25336	6.1
539.26355	18.2
557.27094	5.7
581.27130	9.9
599.28815	19.1
617.29559	14.1
635.36774	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.7
55.01864	4.1
55.05513	50.7
67.05501	15.2
69.03425	9.0
69.07067	9.9
70.79477	4.5
70.79837	7.3
79.05495	26.5
81.03397	4.6
81.07068	42.5
83.04987	79.4
83.08572	3.4
91.05481	39.0
93.07052	32.8
95.04987	16.4
95.08620	46.8
97.06542	8.9
101.02402	4.4
103.05468	54.5
105.03403	18.5
105.04492	4.6
105.07031	42.5
107.04966	15.6
107.07108	3.1
107.08601	26.1
109.06538	21.5
109.10164	9.5
115.05431	9.3
117.07028	21.8
119.04941	5.9
119.08584	52.6
121.06506	11.9
121.10168	17.7
123.08095	11.4
123.11700	3.3
125.71885	3.3
128.06238	7.5
129.06999	11.6
130.07784	5.6
130.51387	2.8
131.04935	95.2
131.08580	28.6
133.06497	14.5
133.10123	33.1
135.08058	12.1
135.11671	3.9
141.06958	10.3
142.07793	13.0
143.08580	34.1
145.06502	13.1
145.10138	31.1
147.08052	20.6
147.11699	7.2
149.06015	4.3
149.09605	16.9
154.07753	3.8
155.08565	19.1
156.09346	20.7
157.10155	55.6
159.08109	16.5
159.11716	36.6
161.05983	10.0
161.09642	21.7
163.07561	20.2
163.11159	4.7
165.07010	10.2
165.09093	4.1
167.07210	4.5
167.08600	8.8
169.10143	38.4
170.10889	14.5
170.24161	3.1
171.08084	14.6
171.11687	100.0
172.08817	3.8
173.06003	6.1
173.09665	30.0
173.13254	14.6
175.07556	6.3
175.11203	7.4
177.09105	12.0
179.08595	7.7
179.10645	10.3
180.09372	5.1
181.10040	17.4
183.08102	6.7
183.11708	58.2
184.08978	5.9
184.12228	4.5
185.09694	16.3
185.13268	67.6
187.07616	6.1
187.11203	18.8
187.14813	3.9
189.05484	7.9
189.09122	6.3
189.12685	4.8
191.07043	4.7
191.10684	12.5
193.10181	12.5
194.10788	4.2
195.11731	19.7
197.09624	10.9
197.13312	17.5
198.10376	5.0
199.11176	34.8
199.14784	3.8
200.11838	3.9
201.09155	10.9
201.12730	10.8
203.10771	6.1
205.10201	4.8
206.10767	7.1
207.11728	16.9
208.12512	4.2
209.09605	5.7
209.13243	16.5
210.10522	3.8
211.11208	15.6
211.14857	6.5
213.09207	7.0
213.12762	58.5
215.10696	15.5
215.14227	4.7
216.09401	3.8
217.08556	8.8
217.10362	6.4
217.12094	17.5
219.11710	11.5
219.13683	4.7
220.12503	6.3
221.13312	18.7
222.14163	4.0
223.11215	11.1
223.14845	13.3
225.12836	6.8
227.10696	10.2
229.12267	17.9
230.10982	4.6
231.09920	5.0
231.11746	9.8
231.13725	42.4
232.12450	8.2
233.13245	13.3
233.15300	4.5
234.14021	4.3
235.14961	15.4
237.12712	7.2
237.16418	8.2
241.12263	16.0
243.10034	9.2
243.13847	18.0
244.12411	4.4
245.11447	5.6
245.13565	4.9
245.15414	13.1
246.14058	11.9
247.14836	13.9
248.15417	4.1
249.12738	7.2
249.16374	11.3
250.17328	4.2
251.14320	5.6
251.18002	19.6
253.12318	4.1
255.13931	6.1
258.14206	4.7
259.10995	6.3
259.13159	28.7
260.15509	9.7
261.16547	36.1
262.17249	5.6
263.14493	5.0
263.17947	9.6
265.19510	9.2
271.13425	3.9
273.14835	4.3
275.18079	21.4
277.14438	6.3
277.19370	5.5
279.14426	3.5
279.17368	18.2
283.14542	4.3
283.17361	4.0
286.16812	3.8
288.15009	5.0
289.14438	4.1
291.17123	7.5
293.15668	5.1
293.18890	26.4
295.17050	5.0
303.14053	3.5
303.17365	13.2
309.18515	9.4
311.20090	29.0
313.15790	4.4
315.17465	6.5
317.15393	4.0
321.18521	62.6
327.19720	6.3
331.16721	10.0
333.18573	6.2
339.19614	80.5
343.16998	4.7
345.18451	5.3
351.19348	3.9
357.20724	51.4
361.17929	9.6
363.19800	5.3
369.20532	12.5
373.18112	6.9
375.19586	10.1
381.20624	6.8
391.18604	4.0
393.20663	8.8
399.21725	17.4
401.17374	4.0
403.19107	12.1
405.20828	8.3
409.19955	4.5
411.21561	7.5
417.22388	11.5
421.19867	23.9
433.20200	6.1
435.21643	7.7
439.21115	25.2
441.71439	3.8
451.21292	15.4
457.22217	12.6
469.22458	8.0
475.21753	4.2
481.22372	6.1
487.23260	12.3
499.23218	12.4
517.27899	11.1
546.73083	3.7
599.28754	3.7
617.28912	4.4
635.29932	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	635.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.7
55.01864	4.1
55.05513	50.7
67.05501	15.2
69.03425	9.0
69.07067	9.9
70.79477	4.5
70.79837	7.3
79.05495	26.5
81.03397	4.6
81.07068	42.5
83.04987	79.4
83.08572	3.4
91.05481	39.0
93.07052	32.8
95.04987	16.4
95.08620	46.8
97.06542	8.9
101.02402	4.4
103.05468	54.5
105.03403	18.5
105.04492	4.6
105.07031	42.5
107.04966	15.6
107.07108	3.1
107.08601	26.1
109.06538	21.5
109.10164	9.5
115.05431	9.3
117.07028	21.8
119.04941	5.9
119.08584	52.6
121.06506	11.9
121.10168	17.7
123.08095	11.4
123.11700	3.3
125.71885	3.3
128.06238	7.5
129.06999	11.6
130.07784	5.6
130.51387	2.8
131.04935	95.2
131.08580	28.6
133.06497	14.5
133.10123	33.1
135.08058	12.1
135.11671	3.9
141.06958	10.3
142.07793	13.0
143.08580	34.1
145.06502	13.1
145.10138	31.1
147.08052	20.6
147.11699	7.2
149.06015	4.3
149.09605	16.9
154.07753	3.8
155.08565	19.1
156.09346	20.7
157.10155	55.6
159.08109	16.5
159.11716	36.6
161.05983	10.0
161.09642	21.7
163.07561	20.2
163.11159	4.7
165.07010	10.2
165.09093	4.1
167.07210	4.5
167.08600	8.8
169.10143	38.4
170.10889	14.5
170.24161	3.1
171.08084	14.6
171.11687	100.0
172.08817	3.8
173.06003	6.1
173.09665	30.0
173.13254	14.6
175.07556	6.3
175.11203	7.4
177.09105	12.0
179.08595	7.7
179.10645	10.3
180.09372	5.1
181.10040	17.4
183.08102	6.7
183.11708	58.2
184.08978	5.9
184.12228	4.5
185.09694	16.3
185.13268	67.6
187.07616	6.1
187.11203	18.8
187.14813	3.9
189.05484	7.9
189.09122	6.3
189.12685	4.8
191.07043	4.7
191.10684	12.5
193.10181	12.5
194.10788	4.2
195.11731	19.7
197.09624	10.9
197.13312	17.5
198.10376	5.0
199.11176	34.8
199.14784	3.8
200.11838	3.9
201.09155	10.9
201.12730	10.8
203.10771	6.1
205.10201	4.8
206.10767	7.1
207.11728	16.9
208.12512	4.2
209.09605	5.7
209.13243	16.5
210.10522	3.8
211.11208	15.6
211.14857	6.5
213.09207	7.0
213.12762	58.5
215.10696	15.5
215.14227	4.7
216.09401	3.8
217.08556	8.8
217.10362	6.4
217.12094	17.5
219.11710	11.5
219.13683	4.7
220.12503	6.3
221.13312	18.7
222.14163	4.0
223.11215	11.1
223.14845	13.3
225.12836	6.8
227.10696	10.2
229.12267	17.9
230.10982	4.6
231.09920	5.0
231.11746	9.8
231.13725	42.4
232.12450	8.2
233.13245	13.3
233.15300	4.5
234.14021	4.3
235.14961	15.4
237.12712	7.2
237.16418	8.2
241.12263	16.0
243.10034	9.2
243.13847	18.0
244.12411	4.4
245.11447	5.6
245.13565	4.9
245.15414	13.1
246.14058	11.9
247.14836	13.9
248.15417	4.1
249.12738	7.2
249.16374	11.3
250.17328	4.2
251.14320	5.6
251.18002	19.6
253.12318	4.1
255.13931	6.1
258.14206	4.7
259.10995	6.3
259.13159	28.7
260.15509	9.7
261.16547	36.1
262.17249	5.6
263.14493	5.0
263.17947	9.6
265.19510	9.2
271.13425	3.9
273.14835	4.3
275.18079	21.4
277.14438	6.3
277.19370	5.5
279.14426	3.5
279.17368	18.2
283.14542	4.3
283.17361	4.0
286.16812	3.8
288.15009	5.0
289.14438	4.1
291.17123	7.5
293.15668	5.1
293.18890	26.4
295.17050	5.0
303.14053	3.5
303.17365	13.2
309.18515	9.4
311.20090	29.0
313.15790	4.4
315.17465	6.5
317.15393	4.0
321.18521	62.6
327.19720	6.3
331.16721	10.0
333.18573	6.2
339.19614	80.5
343.16998	4.7
345.18451	5.3
351.19348	3.9
357.20724	51.4
361.17929	9.6
363.19800	5.3
369.20532	12.5
373.18112	6.9
375.19586	10.1
381.20624	6.8
391.18604	4.0
393.20663	8.8
399.21725	17.4
401.17374	4.0
403.19107	12.1
405.20828	8.3
409.19955	4.5
411.21561	7.5
417.22388	11.5
421.19867	23.9
433.20200	6.1
435.21643	7.7
439.21115	25.2
441.71439	3.8
451.21292	15.4
457.22217	12.6
469.22458	8.0
475.21753	4.2
481.22372	6.1
487.23260	12.3
499.23218	12.4
517.27899	11.1
546.73083	3.7
599.28754	3.7
617.28912	4.4
635.29932	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	635.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.6
55.01873	5.0
55.05502	14.0
61.74233	3.8
67.05503	13.6
69.03417	13.4
69.07056	5.3
69.96906	15.5
77.03943	4.9
79.05505	19.4
81.03437	8.3
81.07053	21.1
83.04969	16.2
91.05494	28.3
93.07043	26.4
95.04962	16.0
95.08592	16.6
97.06538	7.5
99.04491	4.4
103.05476	43.0
105.03395	15.5
105.07059	21.8
107.04952	14.5
107.08572	13.5
107.73061	3.8
109.02893	4.2
109.06519	13.8
109.10136	7.6
111.04465	6.8
115.05490	7.4
116.77161	4.0
117.07002	15.9
119.04961	5.1
119.08597	34.2
121.06496	8.5
121.10104	8.4
123.04394	11.1
123.08129	4.6
125.05988	4.8
128.06239	7.1
129.06996	13.8
130.94897	3.8
131.04936	100.0
131.08604	20.7
133.06473	17.5
133.10132	14.9
134.67119	4.0
135.04408	12.6
135.08009	11.9
137.05922	7.3
141.06979	7.7
142.07753	10.3
143.08554	18.4
145.06458	11.7
145.10124	12.8
147.08012	13.9
147.11581	4.9
149.06042	6.5
149.09586	6.8
151.07631	4.9
153.06999	6.7
155.08563	14.6
156.09378	11.3
157.10126	22.6
159.08017	20.9
159.11659	9.8
161.05952	12.3
161.09599	14.1
163.07578	5.8
165.06990	6.3
165.09094	8.9
167.08539	4.7
168.09383	7.3
169.10130	12.7
170.10860	5.6
171.08000	6.2
171.11719	25.9
172.08755	6.3
173.06007	9.0
173.09706	19.7
173.11063	3.5
173.13208	6.1
175.11188	6.0
177.05431	5.0
179.07042	6.8
179.08510	6.6
180.09166	6.7
181.10101	13.0
183.08080	6.0
183.11685	20.2
184.08899	5.8
185.09613	14.9
185.13249	11.7
187.07552	9.9
187.11192	10.9
193.10175	11.2
194.10910	9.6
195.06403	8.0
195.08084	6.1
195.11792	28.2
196.08772	4.9
197.09628	15.2
197.13255	17.8
199.11179	31.8
200.11896	5.3
201.09070	14.7
201.12729	10.0
203.07036	7.8
203.10568	4.4
205.10173	4.7
206.10789	6.3
207.11713	16.9
208.12451	7.0
209.09605	9.5
209.13255	20.9
211.11166	12.2
211.84129	5.0
213.12785	24.2
215.10570	7.2
215.14355	4.9
217.10226	5.5
219.11688	12.6
220.12386	6.9
221.13200	13.7
223.11166	19.4
223.14755	11.8
225.12712	10.8
227.10692	19.1
229.12253	6.3
230.44418	4.0
231.11862	8.3
232.12296	5.9
233.13243	8.0
235.11285	6.0
235.14835	12.8
237.12680	4.9
239.10605	6.2
239.14299	5.4
241.12112	5.6
243.10046	5.6
243.13849	9.4
245.13322	12.4
246.13974	10.0
247.11188	4.6
247.14792	17.1
249.12804	8.4
249.16545	6.1
251.14359	5.2
256.12393	6.0
257.13132	13.2
258.14175	7.1
259.14923	6.1
261.12869	4.5
261.16391	9.4
265.15833	5.3
267.13760	4.5
269.13318	5.5
270.13910	7.4
271.14847	5.6
272.15750	5.0
273.13092	7.5
273.16348	9.1
274.13379	6.0
275.14203	7.6
275.17978	11.0
277.15848	5.1
277.19434	5.7
279.17468	6.4
281.13074	5.4
285.16217	5.4
287.17841	5.0
289.15765	6.6
291.12244	8.2
291.17401	7.3
303.17407	10.5
305.15518	9.8
305.18967	10.2
315.13837	6.0
315.17429	9.8
317.15234	4.7
319.16711	5.2
321.18488	11.3
329.15186	4.9
329.18793	5.9
333.18338	8.8
337.17892	5.9
343.16602	6.9
355.17062	5.6
357.18631	10.0
361.17752	14.8
363.19470	9.5
373.17920	17.1
375.15067	5.5
375.19528	18.3
379.19150	10.7
381.20682	9.0
385.17880	5.9
391.19238	10.5
393.20547	9.0
395.18121	5.4
401.17496	7.1
403.18924	18.8
409.20477	6.5
411.21518	6.2
419.18625	6.0
421.20233	32.6
435.21591	7.4
437.19153	5.1
439.21365	34.7
453.22495	14.6
457.22186	11.1
469.18729	12.7
471.23529	10.0
481.22287	5.4
487.20404	6.4
499.22958	11.6
513.24762	6.8
515.27893	4.8
525.24945	7.8
531.25555	5.7
557.26770	5.1
582.27850	6.3
617.23376	9.0
635.31586	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	635.2866
Annotation	Shizukaol M
Peak:m/z	Relative Intensity
55.05521	1.2
57.07062	0.8
67.05511	3.1
69.68141	0.8
79.05503	1.9
81.07069	2.3
91.05495	1.8
93.07049	2.4
95.08623	2.2
99.53912	0.8
102.47270	0.8
105.07041	2.3
109.10204	1.4
119.08620	1.0
121.10235	1.3
126.04009	0.8
135.11694	1.1
187.91287	0.8
347.99158	0.9
386.52155	1.0
389.17859	1.2
401.17734	1.0
402.18292	1.0
403.19446	2.8
405.21100	1.4
415.15619	2.6
416.20609	1.3
417.16241	1.2
417.21555	4.2
418.22009	1.4
419.22308	4.5
429.17148	1.8
430.18121	3.2
431.18008	6.0
431.23807	1.4
432.19531	2.8
433.24170	4.7
443.18857	2.5
444.19681	2.3
445.19955	11.9
446.21127	2.8
447.21558	4.3
457.20334	1.2
458.21063	2.0
459.21939	8.0
460.22610	12.0
461.23407	8.0
472.22516	1.2
477.23276	1.2
479.34229	0.9
487.21854	0.9
501.19830	0.9
503.25189	1.0
505.21729	1.6
517.22675	2.7
519.24414	3.6
531.24274	2.3
546.26691	3.3
547.27161	16.4
575.24725	1.7
577.24457	2.1
591.26184	4.8
600.40179	1.1
605.27661	1.2
606.28210	10.7
607.29279	22.4
617.27667	1.1
635.28729	100.0
636.28754	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	635.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33485	0.5
55.05517	0.6
55.19004	0.4
57.07078	0.6
67.05505	2.0
69.07054	0.7
69.20657	5.2
79.05509	1.1
81.07051	2.4
86.70490	0.5
91.05470	1.2
93.07048	1.3
95.08629	1.7
95.61546	0.5
96.00567	0.4
105.07047	0.9
107.08627	0.7
109.10201	0.6
119.08607	0.5
121.10199	0.5
131.08553	0.6
145.10248	0.5
205.58536	0.5
209.10713	0.8
234.11462	0.6
237.13998	0.7
248.77550	0.6
249.14272	0.6
251.56694	0.6
265.39505	0.5
282.13440	0.6
389.17532	0.9
401.18011	0.7
402.18579	0.5
403.19348	2.0
404.20117	1.0
405.20749	1.0
416.20285	0.9
417.21463	3.1
418.21881	0.7
419.22626	1.1
430.17661	1.4
431.18051	4.7
431.23892	0.9
432.19058	1.2
433.24374	2.5
443.18741	0.6
444.19424	1.0
445.20154	7.5
446.21268	1.7
453.17645	0.5
459.22549	3.4
460.22806	2.9
461.23743	3.0
473.19312	1.2
473.24405	0.8
475.21356	1.3
475.90878	0.5
477.22662	0.6
488.22137	2.5
489.22968	4.5
501.22891	1.0
515.24701	0.7
518.23102	0.8
519.27814	0.8
523.39453	0.6
532.24927	0.7
533.22144	0.7
547.27472	6.8
565.48230	0.5
575.26599	19.3
575.35748	0.9
578.25024	0.5
599.43439	1.3
600.43335	1.2
603.26190	1.4
607.28864	1.7
635.28668	100.0
636.28986	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.6
51.02381	0.6
53.03947	2.3
55.01867	0.9
55.05505	1.7
64.51009	0.5
67.05499	1.6
69.07080	0.7
69.23547	5.2
69.36957	0.5
77.03922	0.8
79.05507	2.9
80.81598	0.5
81.03427	1.6
81.07069	2.4
83.04980	2.3
91.05476	5.2
93.07046	4.7
95.04969	3.8
95.08626	3.6
103.05479	52.1
105.03401	1.0
105.04524	1.3
105.07040	7.0
106.04191	0.6
107.08597	4.1
109.06518	1.2
109.10181	0.9
115.03951	1.2
115.05479	1.4
117.07018	2.6
119.04935	0.5
119.08584	7.4
119.27274	0.6
121.06508	1.9
121.10165	2.6
122.57447	0.5
123.08102	1.4
124.68853	0.5
128.06261	1.5
129.06985	2.0
130.00502	0.6
130.07736	0.7
131.04939	100.0
131.08575	5.3
133.06517	3.5
133.10143	9.3
135.04475	0.6
135.08046	4.1
141.07037	1.4
142.07806	1.7
143.08583	4.7
145.06485	1.8
145.10132	4.3
147.08080	4.1
147.11710	1.0
149.06010	0.8
149.09654	5.2
151.07562	0.9
153.07085	0.7
154.07800	0.7
155.08577	2.2
156.09360	3.0
157.10144	8.2
159.08090	3.0
159.11726	4.9
161.05989	1.6
161.09605	2.9
163.07545	1.5
163.11247	1.9
165.06963	1.2
166.07632	0.6
167.08562	0.7
168.09424	0.6
169.10124	5.1
170.10916	2.2
171.08066	1.9
171.11711	10.3
172.08838	0.7
172.12363	0.6
173.09648	3.5
173.13309	2.3
175.07570	1.7
175.11220	1.0
177.09059	1.0
179.08533	1.3
179.10716	0.7
180.09375	0.8
181.10133	1.9
183.08073	1.3
183.11717	7.7
184.12416	0.9
185.09636	2.9
185.13252	6.5
186.10529	0.7
187.11194	3.1
189.09062	0.8
189.12787	0.8
191.10587	0.9
192.09370	1.0
193.10199	2.4
194.10965	0.7
195.11714	4.1
197.09657	1.4
197.13287	3.1
198.10405	1.2
199.11177	4.4
200.11942	1.1
201.09267	1.0
201.12697	2.5
203.08682	0.8
203.10634	1.2
204.09299	0.6
205.10318	0.6
205.12241	0.7
206.10976	1.9
207.08182	0.6
207.11742	2.7
208.12453	1.0
209.09741	1.2
209.13223	2.9
210.10442	0.6
211.07762	0.6
211.11279	2.8
213.09312	1.2
213.12764	8.6
215.10680	1.2
215.14290	1.3
217.10329	1.0
217.12289	1.7
218.10948	0.9
219.11752	1.8
219.13751	0.7
220.12503	1.6
221.09859	0.6
221.13242	3.3
222.13983	0.8
223.11272	1.4
223.14848	1.2
225.12749	1.1
227.10695	1.8
229.10324	1.1
229.12296	2.2
230.10770	0.8
231.11746	1.6
231.13892	2.3
232.12495	1.7
233.09509	0.6
233.13467	2.7
233.15292	0.7
234.14008	1.5
235.11308	0.7
235.14795	2.6
236.12141	0.7
237.12743	1.5
237.16376	0.7
239.14418	1.1
241.12312	1.9
243.11710	1.9
243.13901	2.9
244.12579	1.6
245.13254	2.0
245.15474	3.3
246.10352	0.6
246.14116	1.3
247.14931	2.2
248.15712	0.7
249.12782	1.1
249.16408	1.8
251.14349	1.1
255.13925	1.3
256.12527	0.9
257.13315	1.7
258.14072	1.5
259.13211	0.7
259.15100	1.0
260.15582	1.2
261.12701	1.0
261.16449	1.8
262.13696	0.7
263.14328	1.4
263.18222	1.1
265.16022	0.7
269.13156	0.6
271.14737	1.6
272.15567	0.8
273.14572	1.1
273.16867	0.8
275.14359	1.3
275.17953	1.0
277.12445	0.6
277.15775	1.6
279.13971	0.8
281.15631	0.8
285.12744	0.7
286.13599	0.8
287.14417	1.2
287.17920	1.0
289.15912	1.3
291.16101	2.2
293.12006	0.6
293.15604	1.1
293.19073	2.3
297.12283	0.6
298.13635	0.7
299.14383	0.6
299.17908	0.6
300.15320	1.0
301.15970	1.1
302.16611	0.6
303.17542	2.3
305.15732	0.9
305.19077	2.1
311.13553	0.7
315.17346	2.5
317.15488	1.0
317.19022	1.6
319.17087	0.9
319.20520	1.2
321.18515	2.2
323.20053	0.7
327.17465	0.6
329.19043	2.3
331.16971	1.7
332.17636	0.6
333.15002	0.8
333.18494	3.0
335.20193	0.7
337.18079	1.9
343.16711	0.7
345.18497	1.6
347.16464	2.3
347.20148	1.3
349.17926	3.2
351.19604	1.6
357.18704	0.7
359.16452	2.1
360.17276	0.7
361.18097	2.8
363.19424	3.2
365.17447	1.2
369.20709	1.4
373.17972	2.0
375.19562	1.8
377.17508	3.0
379.19034	1.5
383.16522	0.7
389.17285	1.1
389.21661	0.9
391.19058	5.6
393.20956	1.1
395.18542	1.4
395.22797	0.6
401.17566	1.2
405.20471	0.8
407.17834	1.0
407.22321	2.0
409.20163	2.9
411.21841	0.9
415.19107	0.7
419.18622	3.9
421.20261	2.5
423.21613	3.5
427.21674	0.6
433.20020	3.0
435.21573	0.7
437.19452	2.9
441.22653	1.1
451.21228	6.9
455.20758	1.8
469.22180	7.3
475.20959	0.5
487.23257	5.0
635.30475	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	635.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.9
53.03935	4.8
55.01623	1.6
55.01870	17.7
55.05499	2.0
55.43496	1.0
56.33770	1.0
65.03929	1.8
67.05485	4.1
69.03426	3.5
69.07042	1.3
77.03902	1.2
79.05504	9.3
81.03423	10.7
81.07040	4.1
83.04968	1.0
91.05480	36.5
93.07017	7.7
95.01315	2.4
95.04967	18.7
95.08616	2.8
97.06487	1.3
98.21490	2.9
103.05465	4.1
105.03397	37.1
105.04504	2.8
105.07040	19.0
107.04948	8.8
107.08588	7.9
108.05830	1.1
109.06512	6.4
110.01197	1.1
111.08107	1.4
115.05444	13.6
116.06194	4.4
117.07030	26.0
118.35073	1.2
119.04905	1.5
119.08585	38.2
121.06510	5.7
121.10143	2.8
123.04437	1.4
123.08022	1.9
128.06230	7.7
129.06998	27.6
130.07787	3.8
131.04903	2.8
131.08571	31.0
132.05682	2.4
133.06483	4.7
133.10121	9.7
135.08047	9.4
141.07008	5.8
142.07761	7.8
143.08562	15.4
144.05600	1.8
144.09384	1.8
145.06490	19.9
145.10129	21.7
146.07259	2.1
147.08052	100.0
147.11708	1.9
148.36642	1.1
149.09624	13.1
152.06386	1.3
153.06967	2.2
154.07777	3.8
155.06023	1.4
155.08569	10.8
156.09373	7.6
157.06479	2.6
157.10127	36.2
158.07248	4.6
159.08060	61.4
159.11696	34.6
161.06030	2.3
161.09625	28.2
163.07545	66.2
163.11205	2.3
165.06973	3.6
165.09149	1.4
166.07796	2.2
167.07185	1.3
167.08578	3.1
168.09334	4.1
169.10129	19.9
170.10913	5.0
171.08075	7.8
171.11679	19.5
172.08801	3.0
173.06076	6.2
173.09631	34.8
173.13229	9.9
175.07565	14.3
175.11194	4.9
177.09109	4.6
178.07857	1.5
179.08554	3.6
180.09393	1.5
181.08702	1.8
181.09995	5.4
182.10750	1.2
183.08090	3.1
183.11699	41.0
185.09644	12.4
185.11160	1.5
185.11754	1.6
185.13242	14.6
186.10434	2.4
187.07547	4.7
187.11203	19.4
187.58742	1.2
189.09023	3.9
191.10696	3.5
192.09311	1.6
193.10117	4.3
194.10954	1.2
195.07962	2.4
195.11667	5.6
196.08856	2.0
197.09639	13.2
197.13289	4.9
198.10391	1.7
199.07495	1.5
199.11143	12.8
201.09114	11.9
201.10960	2.2
201.12744	21.6
203.08629	1.6
203.10681	3.3
204.09378	1.7
205.10213	2.6
205.12141	1.3
206.10887	3.5
207.11662	6.5
209.09639	3.8
209.13229	2.4
211.11211	12.8
211.14571	1.5
213.09084	3.4
213.12756	5.0
215.08768	1.8
215.10612	8.9
216.09366	2.4
217.10280	2.3
217.12250	4.1
218.10812	1.9
219.09955	1.5
219.11829	2.6
219.13629	1.7
220.12422	2.2
221.09698	1.9
221.13274	5.1
222.10414	1.4
223.11195	7.1
223.14745	2.4
225.09154	1.7
225.12735	3.6
227.10658	5.1
229.10168	2.0
229.12234	17.4
230.10873	3.1
231.11758	3.4
231.13824	2.5
232.12389	2.0
233.09627	1.8
233.11572	2.5
233.13434	1.3
233.15317	10.0
234.14073	1.2
235.11118	3.9
235.14952	2.8
237.12721	7.6
239.10608	3.4
239.14360	1.6
241.12306	2.7
242.10970	1.5
243.11768	2.1
243.13724	6.8
244.12393	2.5
245.09512	1.7
245.11493	6.2
245.15408	1.8
247.11130	2.4
247.13208	3.6
247.15239	1.8
248.12062	2.0
249.12659	4.0
251.14278	3.1
253.12267	1.4
256.12506	2.0
257.13486	2.6
259.11072	1.9
259.13153	6.5
260.11908	2.7
261.12573	3.6
261.14816	11.9
263.14203	3.9
265.12344	1.8
265.15866	1.6
267.11694	1.8
269.13187	1.4
271.13403	2.0
271.15024	1.5
272.12009	2.0
272.15588	2.7
273.12729	4.7
273.16519	1.6
275.14276	3.9
277.12119	1.4
279.13818	1.6
281.12930	1.6
283.10861	2.5
284.11789	1.7
285.12686	5.2
286.13638	2.2
287.14285	5.2
287.17410	1.4
289.14066	6.9
293.15225	1.8
298.13574	1.5
299.14035	6.3
300.15125	4.5
301.15854	4.8
301.19083	1.4
303.17285	1.8
309.12408	1.6
313.12308	2.0
313.15503	5.4
314.16510	2.1
315.13898	1.3
315.17413	16.0
317.15256	4.3
317.18723	1.8
325.15637	2.6
329.15512	1.9
329.18982	11.2
331.16748	4.1
333.18329	6.4
335.16302	2.0
339.17337	2.1
341.14990	1.8
342.16147	2.0
343.16858	7.2
347.20010	4.7
349.18118	1.7
351.15851	1.9
357.18582	16.8
359.16312	3.3
361.17929	5.5
367.17734	1.2
373.18051	2.8
375.19565	15.3
377.17334	1.7
385.17966	5.1
389.21075	15.6
391.18820	4.2
391.23126	2.1
395.18506	2.4
399.19669	2.2
403.19189	9.3
407.22156	11.0
409.19946	4.0
417.20657	10.3
421.20041	3.7
425.23105	2.1
435.21609	25.9
453.22675	10.2
481.22043	3.0
603.25940	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	635.2852
Annotation	Shizukaol C
Peak:m/z	Relative Intensity
53.03938	3.2
55.01866	2.0
55.05516	5.7
56.05816	1.1
65.03928	1.1
67.05494	2.8
68.73361	0.9
69.03429	2.7
69.07073	2.5
70.57095	1.7
70.57489	2.2
77.03925	1.5
79.05495	5.6
81.03409	3.3
81.07064	4.1
83.04977	4.8
83.08643	1.1
91.05492	8.5
91.51801	1.1
93.07051	7.1
95.04974	4.5
95.08608	3.9
97.06512	2.8
103.05475	59.1
104.05825	2.3
105.03386	6.4
105.07034	14.4
107.04967	2.1
107.08621	7.1
109.06544	3.5
109.10187	1.1
111.08109	1.1
115.05444	2.9
116.33427	1.3
117.07035	6.6
119.08582	14.1
121.06544	2.2
121.10138	2.3
128.06226	2.6
129.07010	5.0
131.04941	100.0
131.08591	9.7
132.05287	3.4
133.06512	4.9
133.10144	13.2
135.08067	2.5
141.06993	2.1
142.07806	2.7
143.08548	8.7
144.09431	1.1
145.06523	4.8
145.10092	8.5
147.04422	1.2
147.08051	5.2
147.11662	1.4
149.09636	4.0
151.07578	1.3
153.07040	1.6
155.08588	4.7
156.09346	4.2
157.06500	1.5
157.10112	9.5
159.08089	6.0
159.11671	6.4
161.06026	6.4
161.09616	5.1
161.13338	1.6
163.07571	2.1
163.11278	1.9
165.07001	1.6
167.08600	3.1
169.10158	7.2
170.10857	4.4
171.08072	4.5
171.11711	17.4
173.05977	1.7
173.09631	6.8
173.13234	2.8
175.07515	4.6
177.05508	1.6
177.09131	3.1
178.09488	1.2
179.07057	2.4
179.08530	1.9
179.10709	1.3
180.09343	1.7
181.10132	4.8
183.08118	1.8
183.11697	12.2
185.09610	3.5
185.13271	12.2
186.10379	1.6
187.07574	2.0
187.11281	6.3
189.05507	2.1
189.09079	2.2
189.12730	1.1
191.10606	1.7
192.09322	1.6
193.08572	1.8
193.10194	2.8
194.10867	2.3
195.08197	1.5
195.11664	4.7
197.09624	2.5
197.13229	4.2
198.10287	1.8
199.11127	7.9
201.09090	1.6
201.12732	4.7
205.10210	2.1
205.12166	1.5
206.10933	1.7
207.11656	4.9
208.12482	2.1
209.09656	2.3
209.13307	3.9
211.11235	5.8
211.14923	1.9
213.09317	2.2
213.12770	17.7
215.08749	1.4
215.10742	2.4
215.14343	1.6
217.10394	1.2
217.12276	1.5
218.10979	1.7
219.11771	1.8
220.12463	1.4
221.13245	3.2
223.11246	2.4
223.14766	3.2
227.10657	1.9
229.12265	2.9
231.11813	2.4
231.13884	3.6
232.12402	2.4
233.13266	3.7
234.10320	1.2
235.11031	1.9
235.14833	3.2
237.12674	1.8
239.10661	1.2
241.12320	3.7
242.10812	1.2
243.11745	2.2
243.13928	2.5
244.12410	1.8
245.13290	2.4
245.15425	3.1
246.14018	1.9
247.14928	1.6
248.15796	1.2
249.12761	2.0
249.16551	1.8
251.17809	1.3
255.13928	1.6
257.13290	1.5
258.13809	2.0
259.15042	1.7
260.15695	2.1
261.16470	2.3
265.11935	1.1
267.16476	1.1
270.14011	1.9
271.14679	1.7
273.14944	3.9
274.13608	1.1
274.17188	1.3
275.17810	2.2
285.12778	1.6
285.16364	2.7
287.14392	1.3
287.17697	2.0
289.16104	1.7
291.16071	3.2
298.13614	1.4
301.15808	3.0
303.13998	1.6
303.17526	2.3
313.15826	3.6
315.17361	1.7
317.15408	1.8
327.17386	2.9
329.15582	2.5
329.19119	1.2
331.16956	4.4
333.18469	2.2
341.15201	2.0
343.17020	2.0
345.18530	2.9
349.18027	2.1
351.19577	1.4
355.16843	3.6
359.16403	4.0
361.17850	2.7
363.19351	2.1
369.20645	1.9
373.17938	5.7
377.17346	3.1
379.18710	1.6
379.22855	1.5
381.24268	1.7
383.16214	1.3
385.18042	1.4
387.19565	1.5
389.17395	1.8
391.18817	4.2
391.22678	6.2
401.17480	4.0
403.18933	2.0
405.20593	3.2
407.18338	1.2
409.19202	1.5
409.24350	5.5
415.18875	1.6
419.18387	6.0
421.19931	2.6
423.21902	2.4
433.20264	6.6
437.19519	3.4
451.21155	11.1
469.21274	7.3
487.23065	2.4
617.27551	1.7
635.29834	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	635.2851
Annotation	Shizukaol C
Peak:m/z	Relative Intensity
51.06775	0.9
52.54959	0.9
53.03934	3.3
55.01864	3.0
55.05502	4.0
65.03938	1.4
67.05496	2.5
69.07050	1.7
70.07304	1.1
77.03913	1.2
79.05483	6.0
81.03419	1.4
81.07037	3.7
83.05000	6.5
91.05485	14.0
91.65502	1.0
93.03384	1.0
93.07027	6.1
95.04962	4.2
95.08601	4.3
97.06525	2.5
103.05479	63.5
105.03387	8.0
105.04504	1.5
105.07042	19.8
107.04967	1.2
107.08609	5.1
109.06531	2.7
109.10178	1.4
115.05459	4.6
116.06219	1.6
117.07037	9.7
119.04961	1.8
119.07782	1.7
119.08585	20.3
121.02890	2.3
121.06494	3.6
121.10185	2.5
123.08086	1.1
125.02364	2.4
128.06194	6.2
129.07025	6.7
130.07761	1.1
131.04939	100.0
131.08578	12.7
133.06499	10.2
133.10136	16.8
135.08075	6.8
141.06993	3.6
142.07777	5.6
143.08574	13.6
144.09311	1.1
145.06512	7.4
145.10161	10.4
146.07265	1.1
147.08041	9.1
147.11652	1.8
149.05968	2.1
149.09637	6.9
153.06973	2.0
154.07721	1.7
155.04779	1.0
155.08566	6.2
156.09340	9.6
157.06531	2.7
157.10143	23.1
159.04378	1.8
159.08087	7.8
159.11736	12.2
161.06007	10.4
161.09647	7.3
163.07521	3.7
163.11197	2.0
165.06982	2.4
165.09138	2.4
166.07785	1.8
167.08560	3.6
167.10684	0.9
168.09360	2.5
169.10150	12.2
170.10965	7.4
171.08076	6.7
171.11694	32.3
172.08818	1.8
173.05989	3.3
173.09662	7.9
173.13284	5.8
175.07561	7.6
175.11160	2.9
177.05461	2.0
177.09126	2.0
179.07050	3.6
179.08583	2.6
179.10686	1.3
180.09355	1.6
181.08655	1.9
181.10106	5.6
182.07278	1.2
182.10886	2.0
183.08052	2.8
183.11703	24.6
184.08786	1.6
184.12415	1.8
185.09636	9.4
185.13258	23.8
186.10445	1.9
187.03983	1.5
187.07587	2.2
187.11150	8.2
187.14769	1.6
189.05389	2.3
189.09108	3.0
191.06947	2.5
191.08591	2.2
191.10612	1.6
192.09366	1.8
193.08600	4.4
193.10172	3.8
194.10913	1.9
195.08044	2.9
195.11725	7.5
196.08966	1.4
197.09595	3.5
197.13307	6.2
198.10390	2.3
199.07593	1.2
199.11201	10.4
200.11996	2.4
201.09070	1.9
201.12836	6.7
202.07913	1.0
203.07103	1.7
203.10645	3.1
203.14369	2.3
205.04948	1.6
205.08490	1.6
205.10236	1.7
205.12282	2.1
206.10898	2.1
207.11757	6.0
208.12436	2.5
209.09663	2.5
209.13229	3.1
210.10358	1.2
211.07492	1.1
211.11139	6.5
211.14725	1.1
213.09323	5.0
213.12747	26.0
215.08766	1.3
215.10675	2.9
215.14346	3.9
217.08379	1.2
217.10156	3.4
217.12263	3.3
218.10880	2.2
219.11656	3.6
219.13692	1.6
220.12431	2.5
221.13345	6.5
222.10339	1.3
223.11212	3.8
223.14772	2.3
225.09160	1.2
225.12778	2.5
227.10683	2.5
229.10173	2.2
229.12248	4.1
230.10899	2.5
231.09883	1.6
231.11752	3.1
231.13716	6.5
232.12454	2.7
233.09679	1.5
233.13208	4.0
233.15436	3.9
234.10449	1.3
234.13976	2.0
235.11156	2.6
235.14780	2.7
236.12082	1.2
237.12740	2.8
237.16493	1.7
239.10725	2.8
241.10231	1.6
241.12277	5.9
242.10611	1.0
243.11624	3.2
243.13811	5.6
244.12471	3.2
245.13191	4.6
245.15356	10.0
246.10312	1.6
246.14047	2.7
247.11079	1.9
247.14914	3.3
248.11859	1.2
249.12723	2.7
251.14421	2.0
253.08505	1.4
254.11014	1.6
255.11786	2.3
255.13857	2.9
256.12518	2.2
257.13382	6.0
257.15530	1.7
258.14014	3.4
259.13116	2.9
259.15161	2.7
261.12595	2.4
261.16687	1.7
262.13449	1.4
263.10629	1.6
263.14185	1.2
263.16479	1.7
265.12241	2.7
267.11636	1.8
268.12454	1.3
269.13229	3.7
270.14059	3.9
271.11014	1.0
271.14798	3.9
272.15475	3.0
273.12198	0.9
273.14740	15.0
275.10745	1.6
275.14023	2.5
275.16794	1.3
277.12314	1.7
277.15762	1.8
278.13083	1.2
279.13770	1.6
283.14688	2.9
284.11752	1.9
284.15607	2.3
285.12701	3.0
285.16263	4.8
286.13712	1.8
286.16864	1.1
287.14261	2.7
291.15964	7.0
297.12674	2.5
298.13458	1.9
299.14197	3.3
299.17657	2.2
300.15103	1.5
301.12314	2.6
301.15765	3.9
301.19119	1.2
302.13171	1.2
303.13684	2.8
303.17429	3.0
305.15567	1.5
309.16458	1.6
311.14276	1.3
312.15070	2.8
313.15842	3.3
314.16528	1.8
315.13702	3.8
315.17416	3.5
316.14612	1.6
317.15271	1.8
317.18811	1.7
319.13470	1.9
319.16956	3.1
321.14813	2.0
326.12811	1.4
327.13681	2.0
327.17432	4.2
329.15576	4.7
329.18912	1.8
330.15817	1.5
331.16925	8.1
333.14780	2.1
333.18460	1.3
337.17844	2.8
340.14563	2.2
341.15271	4.8
343.13123	1.4
343.16837	3.9
345.15024	1.0
345.18582	7.1
347.16278	5.1
347.20236	1.3
349.18115	4.8
355.16815	4.8
357.18420	2.9
359.16345	8.7
361.18073	5.5
363.19540	3.1
365.17471	2.7
371.16336	3.7
373.18039	12.4
375.19775	2.4
377.17517	9.2
379.19073	1.5
383.16412	4.5
385.17883	1.4
387.19553	2.0
389.17493	3.7
391.19159	13.3
393.20883	1.3
395.18588	1.9
401.17407	10.3
403.19092	4.1
405.20877	7.7
407.18259	2.1
409.20090	4.8
415.19064	4.8
419.18518	16.6
421.20059	7.2
423.21661	7.6
425.19522	1.5
433.20132	15.1
437.19608	11.6
439.21054	2.6
441.22803	1.7
451.21194	17.5
455.20605	5.8
469.22253	12.7
487.23184	3.6
585.25122	1.4
603.25745	2.3
617.27051	3.2
635.28375	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	635.285
Annotation	Shizukaol C
Peak:m/z	Relative Intensity
51.20807	1.5
53.03938	2.8
55.01884	2.3
55.05516	2.5
67.05519	3.4
69.07051	2.6
77.03934	1.5
79.05515	8.0
81.07056	3.8
87.04449	1.6
91.05502	14.2
93.07042	12.6
95.04970	6.6
95.08601	4.7
103.05474	56.9
105.07037	17.4
107.08599	8.2
109.06509	3.1
115.03944	2.3
115.05436	1.7
117.07001	5.7
119.08581	15.3
121.06507	3.8
121.10143	6.0
123.08084	2.2
128.06256	2.2
129.06970	3.7
131.04936	100.0
131.08543	10.7
132.81624	1.4
133.06506	5.9
133.10144	25.1
135.08081	8.6
141.06993	2.8
142.07806	4.7
143.08585	7.2
145.06442	2.8
145.10150	9.1
147.08063	6.3
149.09622	13.6
153.06993	2.0
155.08554	5.4
156.09369	7.4
157.10121	16.6
159.08037	6.7
159.11731	7.7
161.06030	3.1
161.09639	5.7
163.11243	3.5
165.07059	3.5
167.08578	4.4
168.09332	2.0
169.10175	9.6
170.10889	4.3
171.08102	3.4
171.11694	23.2
172.08842	2.1
173.09563	7.4
173.13295	3.9
175.07591	1.8
175.11211	1.9
177.09064	2.9
179.07146	1.6
179.08600	3.3
179.10674	2.4
181.10109	3.0
183.08099	1.8
183.11726	13.9
184.12451	2.4
185.09647	6.5
185.13280	14.1
187.11194	7.5
187.14828	2.1
191.08569	1.4
192.09422	2.5
193.10115	5.1
195.11707	8.2
197.09604	5.0
197.13329	7.3
199.07625	2.1
199.11200	11.0
201.09189	2.4
201.12715	4.0
203.10600	2.2
205.08516	1.8
205.10233	2.2
205.12262	2.1
206.10983	2.6
207.11699	6.7
208.12527	2.5
209.09686	2.5
209.13232	4.3
211.11226	6.3
211.14886	1.8
213.09091	2.1
213.12762	17.6
214.13501	1.9
215.10608	2.3
215.14354	4.0
217.10242	2.4
217.12216	2.7
219.11728	4.9
220.12390	3.2
221.13329	7.8
222.13954	2.1
223.11288	2.9
223.14667	2.8
225.12862	3.0
227.10667	3.7
229.10233	1.9
229.12367	4.5
230.11047	1.7
231.11758	3.9
231.13832	3.2
232.12500	2.6
233.13252	6.1
234.14052	2.6
235.11223	2.2
235.14922	4.0
237.12735	3.6
239.14449	2.4
241.12343	4.8
243.11708	3.2
243.13882	5.6
244.12444	2.7
245.13358	3.3
245.15488	5.3
246.13924	2.2
247.11253	3.3
247.15044	8.0
249.12805	3.1
249.16415	3.1
251.14424	2.3
253.10081	1.9
255.13837	3.1
257.13370	4.3
258.14090	5.6
259.14896	4.8
260.15674	2.9
261.12704	3.8
261.16467	3.5
263.14334	3.4
265.16025	2.7
271.14896	3.4
272.15665	3.0
273.15005	5.2
275.14258	3.2
277.16019	3.2
284.12338	1.5
284.15558	2.3
285.13113	1.7
285.16367	3.4
287.14529	1.3
287.17963	2.1
289.15976	2.9
289.19226	1.9
291.16083	2.5
293.19055	3.8
299.14636	1.9
300.15073	1.7
301.15704	1.9
303.17429	4.6
305.15619	1.9
305.19055	4.4
307.16898	2.0
315.17468	5.6
317.19104	2.8
319.17072	3.1
319.20416	3.5
321.18604	2.1
327.17194	1.7
329.19107	3.7
331.16916	2.4
333.18658	4.8
337.17941	5.9
345.18475	3.8
347.16333	4.8
347.20132	3.2
349.18079	4.0
351.19598	3.5
357.18427	2.4
359.16342	5.6
361.17883	5.1
363.19733	3.4
365.17233	3.1
365.21213	3.2
369.20651	2.0
373.18201	7.0
375.19641	4.1
377.17285	10.3
381.20554	2.0
389.21234	3.8
391.19016	13.6
393.20621	2.1
401.17328	2.9
405.20999	2.1
407.22113	4.8
409.20096	5.1
411.21771	1.6
419.18442	9.9
421.20184	3.9
423.21643	6.5
423.91559	1.9
425.23148	1.8
433.20190	7.8
437.19650	7.3
439.21368	2.1
441.22824	2.6
451.21225	13.8
455.20633	3.2
469.22205	12.5
487.23444	7.8
617.27222	2.0
635.28265	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58198	1.1
53.03947	1.6
55.01864	2.5
55.05515	1.5
57.35665	1.1
60.81560	1.4
67.05501	2.2
72.90600	1.3
79.05483	2.6
81.07059	1.9
83.04984	1.9
91.05480	10.6
93.07045	3.1
95.04976	4.7
95.08619	1.8
97.06544	1.7
103.04800	2.6
103.05474	45.3
105.07026	17.3
107.08578	5.6
109.06499	2.4
109.10158	1.7
115.05449	2.2
117.07027	7.9
119.08587	15.2
121.06476	3.3
121.10153	3.6
125.05929	2.1
128.06219	2.6
129.06984	5.2
131.04938	100.0
131.08591	8.1
132.05260	2.5
133.06519	7.5
133.10144	12.5
135.08038	3.6
141.06998	1.5
142.07782	2.3
143.08617	6.3
145.06482	3.6
145.10144	6.7
147.08095	8.6
149.09613	5.3
155.08568	2.5
156.09323	6.0
157.06483	1.4
157.10135	13.8
159.04456	2.8
159.08057	7.0
159.11678	7.9
161.05981	9.4
161.09602	5.7
163.07564	3.5
163.11200	3.1
169.10083	8.4
170.10883	6.2
171.08038	4.0
171.11691	23.8
172.08830	1.9
173.05937	2.4
173.09653	9.7
173.13203	3.1
175.07533	6.0
175.11145	2.8
177.09113	4.1
179.07065	3.2
180.09245	1.5
181.10109	3.5
183.08070	3.0
183.11699	14.5
184.11986	1.5
185.09618	5.9
185.13243	14.3
187.07532	3.5
187.11240	7.2
189.05428	2.4
189.09009	1.9
193.08582	3.4
193.10167	3.7
195.08061	1.5
195.11642	2.8
197.09618	3.6
197.13202	2.6
199.07484	2.0
199.11163	8.3
201.05647	1.3
201.09035	2.0
201.12744	5.5
203.10565	2.2
203.14403	1.6
204.73050	1.7
205.12141	3.1
207.11682	4.3
209.13187	2.0
211.11174	5.0
213.09096	5.9
213.12727	17.3
214.13313	1.6
215.10680	1.6
215.14377	2.4
217.10301	1.9
217.12195	3.2
218.10951	2.0
219.11731	2.1
219.13748	2.2
220.12538	2.3
221.13240	3.8
222.13948	1.7
223.11191	2.9
225.09004	1.7
227.10614	2.7
229.10144	3.2
229.12222	2.3
230.10930	2.8
231.11813	2.7
231.13882	3.7
233.13257	2.1
233.15242	1.6
234.14162	1.8
235.11096	2.4
238.13585	1.3
239.10657	2.7
241.12228	4.8
243.11719	2.6
243.13828	3.3
244.12305	2.2
245.13336	2.3
245.15379	4.5
249.12814	3.2
249.16206	1.9
251.10660	1.7
255.13840	2.6
257.13196	3.8
258.14032	3.0
259.13141	1.5
259.15082	1.8
261.12692	2.5
265.12259	2.9
269.13242	2.9
270.13965	3.7
271.14828	2.0
273.14838	7.2
277.12271	1.8
283.14697	2.1
284.15564	2.2
285.12805	2.6
285.16278	4.6
287.14307	2.9
287.17615	1.6
289.12207	2.9
289.15735	1.9
291.15997	2.6
295.14893	1.5
297.13025	1.5
298.13388	2.0
299.14337	1.9
299.17874	3.1
300.15015	1.6
301.12021	1.7
301.15802	3.1
303.13907	3.2
303.17233	2.8
311.14288	1.4
313.15851	5.2
315.13959	1.7
317.15411	2.1
317.18906	2.3
319.16672	2.1
321.14737	1.8
326.12701	1.6
327.17355	3.5
329.15262	4.2
331.13330	2.3
331.16785	6.7
333.18378	2.1
337.18115	1.7
339.36664	1.4
341.15308	4.4
343.16922	3.5
345.18558	6.5
347.16177	3.4
349.17957	3.7
355.16965	9.7
359.16476	7.3
361.18024	3.8
363.19547	4.5
365.17453	1.6
371.16440	1.8
373.18045	12.4
377.17291	4.8
383.16470	2.3
387.19403	1.8
389.17319	3.0
391.19061	11.4
395.18188	1.7
401.17477	10.6
403.19064	3.9
405.20883	6.2
407.18518	1.8
409.19785	2.3
415.18939	4.7
419.18582	12.7
421.19916	4.6
423.21652	3.2
433.20197	14.6
437.19522	5.9
439.21051	1.8
451.21149	22.6
455.20612	1.5
464.46228	1.5
469.22269	13.7
487.23361	2.5
635.30652	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	635.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	18.2
55.01876	42.0
55.05516	44.0
57.03423	10.8
65.03925	9.5
67.05502	41.2
69.03419	23.2
69.21438	38.0
69.21857	23.9
71.01337	7.7
71.04998	55.4
72.08160	7.2
77.03906	8.4
78.51734	5.9
79.05489	69.7
81.03413	29.8
81.07061	59.8
83.01332	7.2
83.04986	68.7
85.02881	20.6
87.00804	6.3
91.05478	92.8
93.07040	77.1
94.06543	8.8
95.01292	6.3
95.04969	57.5
95.08622	56.4
97.02886	22.6
97.06528	26.8
99.04438	28.3
103.05460	27.2
105.03342	9.1
105.06388	7.3
105.07033	87.6
107.04951	37.5
107.08569	48.1
109.02869	16.1
109.06536	43.8
109.10136	14.8
111.04436	19.7
115.05444	17.4
117.07023	30.6
119.04934	27.0
119.08573	75.0
121.02847	16.5
121.06500	51.3
121.10131	31.3
123.04424	22.5
123.08067	29.0
125.05993	21.9
125.09634	8.2
127.03907	10.2
128.06200	30.3
129.07036	46.0
130.07735	9.4
131.04933	33.6
131.08559	71.4
131.39067	5.5
133.06473	26.8
133.10127	36.4
135.04399	28.7
135.08054	36.4
137.05963	26.0
137.09599	7.7
139.03889	16.4
141.05402	6.9
141.06972	23.2
142.07755	26.5
143.08553	85.3
145.06458	27.5
145.10117	43.3
147.04373	17.6
147.08047	58.8
147.11690	6.9
149.06000	41.9
149.08562	7.0
149.09576	35.3
151.07500	11.4
153.05437	31.8
153.06944	16.7
154.07777	13.2
155.08527	47.1
156.09305	23.8
157.06516	15.1
157.10118	60.9
158.07246	12.8
159.08060	67.9
159.11679	20.6
161.05957	29.3
161.09622	50.3
163.07556	17.0
163.11118	11.3
165.05470	35.6
165.06985	36.2
165.09088	11.5
166.07736	19.8
167.06981	26.9
167.08530	23.7
167.81648	7.4
168.09358	17.0
169.06523	11.9
169.10144	41.3
170.07159	7.9
170.10927	8.2
171.08022	38.4
171.11714	62.5
172.08849	9.6
173.05925	16.9
173.09642	37.1
173.13219	29.2
175.03976	6.4
175.07578	29.7
175.11194	11.3
177.05444	20.9
177.09132	12.8
178.07841	7.2
179.07016	29.1
179.08553	29.8
180.09325	16.7
181.10112	40.7
182.07353	10.8
182.10954	10.1
183.08049	31.8
183.11658	58.5
184.08766	15.7
185.05988	11.1
185.09673	41.4
185.13254	28.3
187.07497	19.3
187.11189	23.7
189.05463	13.4
189.09119	37.0
189.12700	9.5
191.06990	10.4
191.08565	8.6
192.09305	16.3
193.10056	36.9
194.10860	15.2
195.06500	42.8
195.08099	25.9
195.11655	31.5
196.08842	10.8
197.05876	8.6
197.09628	48.7
197.13213	18.9
199.07526	27.3
199.11171	72.6
200.08401	7.0
200.11797	7.0
201.05632	7.4
201.09096	30.2
201.12779	38.7
203.06990	20.4
203.08685	9.1
203.10602	7.7
204.09380	10.4
205.08563	23.1
205.10258	9.3
206.10841	12.6
207.06496	20.2
207.08214	8.9
207.11684	26.3
208.08826	11.3
208.12480	7.4
209.09584	34.3
209.13248	23.5
210.10292	12.7
211.07645	12.3
211.11163	49.5
213.09077	22.9
213.12785	38.5
215.10590	14.5
215.14325	7.8
216.09290	11.1
217.08412	31.1
217.10368	10.8
217.12241	16.6
218.10814	11.4
219.09995	14.8
219.11783	18.1
220.12442	7.3
221.09789	11.9
221.13277	20.1
222.10237	9.3
223.07619	8.4
223.11122	34.2
223.14813	7.8
224.11893	6.3
225.09035	21.7
225.12749	25.0
225.85112	6.8
226.09732	7.9
227.10620	58.3
227.14137	11.0
229.08470	12.0
229.12212	28.3
231.08139	11.0
231.09924	42.6
231.13727	14.6
232.12311	7.5
233.09743	7.9
233.13208	20.5
234.13951	11.3
235.07545	9.7
235.09576	22.9
235.11458	11.4
235.14801	15.4
237.09140	14.6
237.12729	24.5
238.13509	6.5
239.10666	22.7
239.14258	25.5
241.08467	9.2
241.12259	21.2
243.09947	13.0
244.12422	10.2
245.11557	14.2
246.14008	8.5
247.11185	17.2
247.14999	10.1
249.09015	8.0
249.11116	21.8
249.13016	11.4
249.16502	11.5
251.10663	15.6
251.14345	13.5
251.17906	6.4
253.12236	18.2
255.10167	9.6
255.13831	16.0
257.11548	7.6
259.13043	15.3
260.11630	7.1
261.12863	13.3
261.16559	15.9
262.13486	10.8
263.10645	17.8
263.14319	12.8
265.12317	29.4
265.15860	11.4
267.13943	11.2
267.17316	12.2
269.11856	19.8
271.10764	7.4
271.13559	10.7
273.12411	6.2
273.16278	10.9
275.17938	9.2
277.11841	8.1
277.14487	7.8
277.16150	9.0
279.13895	10.3
279.17447	16.3
281.11621	12.5
283.13275	14.4
287.12610	35.5
289.14407	11.0
291.13632	9.5
291.17157	7.7
293.11703	10.4
295.16934	14.6
301.14893	8.7
303.13641	9.9
305.13953	46.0
305.18805	8.7
307.16980	8.4
311.12814	12.5
313.11636	12.7
314.12311	10.2
315.12982	14.5
315.16971	8.0
317.14966	16.9
319.16824	7.7
321.14862	11.5
321.18457	16.8
323.16403	8.4
325.14307	21.1
329.14090	14.8
331.16849	12.2
333.14764	13.3
333.18414	13.8
335.16302	11.7
343.15335	34.8
347.15906	11.5
349.18076	12.5
351.15692	11.9
355.11832	17.7
359.16104	11.3
361.16730	20.2
363.15814	7.5
365.17377	28.1
367.18811	8.3
375.15787	9.5
377.17688	7.3
379.18790	24.0
381.16479	14.3
381.20822	8.0
383.18814	39.5
387.15744	9.5
395.18381	14.4
397.20084	14.4
401.19028	8.7
403.17926	13.6
405.16788	32.3
419.18280	16.1
421.20099	18.0
423.17960	23.4
433.16467	17.9
437.19373	26.1
439.21094	21.5
441.19086	21.9
445.18582	8.5
447.17877	20.1
451.17459	18.2
455.20923	9.2
457.22049	26.2
459.20065	24.7
465.19180	46.7
469.18729	14.9
477.21112	9.1
481.22046	9.7
483.20193	64.3
497.21219	7.0
499.23096	18.9
501.21280	37.0
517.24127	10.3
519.22101	17.3
547.22339	7.8
563.22699	13.7
581.23529	36.1
599.24744	100.0
617.25598	39.0
635.26459	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	635.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.5
55.01862	6.2
55.05503	4.4
57.03432	3.5
67.05499	5.2
69.03425	5.7
69.07064	3.2
71.04981	1.6
71.55785	1.9
71.56174	1.8
74.89249	1.5
75.04486	4.2
77.03957	1.6
79.05505	10.3
81.03427	8.9
81.07064	8.2
81.51328	1.7
83.04994	9.6
86.12377	1.6
91.05468	15.6
93.07057	10.9
93.07532	1.8
95.04974	14.0
95.08604	5.8
97.06506	2.2
98.99641	1.6
103.05478	17.9
105.03387	10.1
105.07035	32.0
107.04948	7.3
107.08575	4.7
109.06540	8.0
115.05476	8.8
116.06207	1.7
117.07022	11.2
119.04946	4.3
119.08569	12.4
121.02851	6.3
121.06507	6.7
123.04459	2.7
123.08064	2.0
128.06216	5.6
129.07047	12.8
129.07861	2.5
131.04922	33.5
131.08554	13.5
133.06491	26.6
133.10114	7.3
135.04366	3.4
135.08044	6.4
137.05959	5.6
139.03905	6.0
141.06967	5.5
142.07724	5.4
143.08571	20.8
145.06505	13.8
145.10136	11.0
147.08043	11.2
147.11679	1.7
149.05980	4.3
149.09558	4.1
151.04033	1.8
151.07568	7.5
151.11256	1.9
153.05481	2.9
153.06960	3.5
154.07761	2.0
155.08557	6.7
156.09364	10.5
157.06517	4.4
157.10138	11.9
158.07303	3.3
159.04454	2.4
159.08034	14.2
159.11691	6.6
161.05978	49.7
161.09601	7.2
163.07535	7.7
165.06967	3.9
165.09079	3.4
166.07822	2.3
167.07137	1.9
167.08499	3.4
169.06465	3.8
169.10110	9.7
170.10857	2.8
171.08044	12.0
171.11671	15.6
172.08813	4.6
173.05978	5.9
173.09607	7.3
173.13239	3.8
175.07584	3.5
175.11154	4.2
177.05537	2.9
177.09085	2.2
179.07043	13.4
179.08537	3.2
180.09303	2.1
181.06613	1.7
181.10109	6.8
183.08080	5.5
183.11690	9.7
184.08849	2.7
185.06010	4.6
185.09602	15.1
185.13206	5.7
186.06752	2.1
186.10423	2.0
187.07585	9.1
187.11125	8.6
189.05492	3.3
189.09122	6.5
189.12762	2.2
191.06992	2.3
191.08563	1.9
193.10197	3.8
194.10852	2.0
195.08063	2.3
195.11668	3.9
197.05876	1.8
197.09619	11.5
198.06833	2.0
198.10396	2.7
199.07523	13.6
199.11185	32.0
200.11934	4.6
201.09100	5.5
201.12744	17.6
203.07059	5.1
203.08772	2.2
203.10641	3.5
205.08492	3.6
205.10202	2.7
207.11662	4.8
209.09628	9.1
210.10268	2.4
211.07527	2.8
211.11241	3.9
213.05508	5.9
213.09109	10.3
213.12720	6.9
215.10645	6.5
217.08588	6.8
217.12297	2.3
219.06392	2.2
219.11885	2.8
221.09688	1.9
223.11108	3.8
223.14766	2.3
225.05408	1.8
225.09108	8.7
225.12779	2.5
227.07089	3.0
227.10670	34.8
229.10268	2.7
229.12239	4.8
231.10115	3.3
233.07925	2.7
237.09192	2.6
237.12827	3.2
238.49989	1.9
239.10619	2.8
241.08466	2.7
241.12280	3.6
242.10823	1.9
243.10159	7.0
244.12560	2.1
245.08044	30.9
245.11736	5.0
247.13422	2.3
249.11023	2.9
251.10655	1.8
253.08553	2.7
253.12274	4.4
255.10172	5.7
257.11542	3.3
258.14233	2.3
259.13339	2.1
269.11777	2.7
270.13974	1.8
272.12076	1.8
273.11212	1.9
275.12988	3.6
281.11542	3.4
285.11124	4.9
287.12762	66.3
289.12036	1.9
301.15710	2.1
303.12289	10.6
305.13831	5.7
313.15909	2.0
315.13684	1.9
319.15469	6.3
321.13239	4.4
329.15317	3.5
331.16858	4.4
335.16241	1.9
341.14960	2.9
342.14624	2.1
343.17004	2.1
345.14896	2.6
347.15085	5.8
357.14694	2.4
359.14874	11.2
361.17770	2.9
373.17825	1.9
375.14679	3.2
377.17001	3.9
387.15900	3.8
389.17020	3.4
391.14383	2.2
391.19040	2.6
393.20938	2.0
397.60193	1.9
401.17407	3.1
405.15887	10.7
406.16336	5.6
407.16998	100.0
408.65088	2.0
419.18347	4.8
423.16733	9.4
423.22147	2.4
437.19543	3.5
439.19260	1.9
443.16965	2.2
447.18228	14.2
453.18726	2.4
461.18045	13.4
465.19034	18.4
479.19208	9.4
483.20178	10.4
499.23328	4.1
515.22455	1.9
539.22314	3.8
567.22394	11.0
573.22797	4.6
585.23370	24.5
603.24335	7.3
635.27380	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	635.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
55.01867	1.9
55.05519	5.2
60.54557	0.8
64.88640	0.8
67.05497	2.6
69.03439	1.8
69.07056	0.9
71.07098	1.0
71.07438	1.5
72.45914	1.0
76.28048	0.8
77.03927	1.5
78.67008	0.8
79.05495	4.0
81.03415	2.9
81.07044	3.6
83.04977	6.4
85.02892	1.4
91.05492	7.4
93.07027	3.8
95.01344	0.8
95.04977	7.8
95.08592	3.0
97.06548	1.3
103.05480	45.4
105.03394	7.8
105.07043	12.2
107.04953	1.4
107.08591	3.0
109.06495	2.3
109.10127	1.0
111.04424	1.0
112.40636	0.8
115.05438	3.6
117.07016	3.4
119.04939	1.2
119.08578	5.7
121.06492	1.7
121.10120	1.9
123.04424	1.6
123.08061	1.5
128.06212	2.8
129.07008	3.9
131.04938	100.0
131.08575	4.3
132.05191	1.0
133.06516	4.9
133.10167	4.2
135.04433	1.1
135.08061	3.2
137.09650	1.0
141.05484	0.8
141.06924	1.5
142.07799	3.0
143.08617	5.8
144.09134	0.8
145.06525	4.6
145.10110	3.6
146.07246	0.9
147.08058	4.2
149.05992	2.2
149.09589	2.0
154.07787	1.0
155.08572	2.4
156.09406	3.8
157.06509	0.9
157.10176	4.0
158.07271	1.3
159.08069	4.7
159.11656	2.0
161.04761	1.4
161.05986	10.1
161.09647	2.9
163.07524	2.5
163.10999	1.1
167.08424	1.3
168.09389	1.0
169.06450	1.3
169.10110	3.6
170.10870	1.5
171.08072	2.9
171.11708	6.2
172.08838	1.5
173.06006	1.2
173.09671	6.5
175.07491	1.7
177.05283	0.9
177.09111	1.7
179.07053	2.1
179.08559	2.0
181.10144	2.8
183.08052	2.4
183.11761	5.0
184.08826	2.3
185.09596	2.3
185.13255	3.5
187.07518	2.3
187.11201	1.9
189.09125	3.3
193.10162	1.5
195.11743	1.8
196.08774	1.3
197.09642	2.3
197.13205	1.1
198.10416	1.6
199.07529	1.7
199.11197	7.1
201.09085	2.4
201.12737	1.5
203.10713	1.2
205.08560	1.2
206.11003	0.8
207.11748	1.9
209.09575	2.0
209.13297	1.3
211.11179	2.7
213.09123	2.2
213.12769	4.3
215.10648	2.1
217.08577	2.3
217.12242	2.0
221.09625	1.1
221.13269	1.2
223.11238	2.0
225.09076	1.2
225.12578	1.6
227.07098	2.3
227.10681	3.0
229.08502	5.0
229.12212	1.4
230.10979	1.0
231.09996	1.9
235.09659	2.7
237.12775	1.0
241.12164	1.8
243.09935	1.3
245.08083	1.7
245.11470	4.0
245.15382	1.4
246.13814	1.0
247.14948	1.1
255.10094	1.5
257.13306	1.6
259.10867	0.9
263.12997	1.1
265.12259	1.5
271.09637	1.2
273.11212	5.3
273.14899	1.6
277.12091	0.8
285.12872	1.4
286.13593	1.1
289.10663	1.0
291.12396	3.2
293.11908	0.9
297.12604	1.0
305.15271	1.2
313.67697	0.9
331.16815	2.4
333.14725	1.0
345.18533	2.1
351.05368	1.0
359.16162	1.6
375.19598	1.1
377.17786	0.9
389.13684	1.0
395.18344	1.2
403.19034	1.9
405.16998	3.0
417.20770	1.5
421.16071	1.5
423.17749	1.6
433.16516	2.5
435.21844	1.9
441.19522	1.0
451.17401	6.3
453.22461	1.5
469.18375	5.8
487.19580	2.6
599.22394	2.4
617.23737	5.2
635.28241	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92701	0.7
53.03947	1.8
55.01872	4.8
55.05512	1.7
59.15462	0.7
65.03947	1.1
67.05500	2.8
69.03434	2.1
77.03942	1.1
79.05518	4.6
81.03410	3.2
81.07060	3.2
83.04990	2.3
91.05483	10.8
93.07031	3.6
95.04987	6.3
95.08614	1.7
97.06503	0.9
103.05478	44.9
104.05853	1.1
105.03401	2.4
105.04497	0.8
105.07034	7.8
107.04956	3.3
107.08588	3.5
109.06515	2.2
109.10152	1.5
115.05464	2.4
117.07017	6.5
119.04975	1.1
119.08591	13.1
121.06503	2.7
121.10156	2.2
123.08067	1.2
128.06259	2.5
129.07022	7.3
131.04938	100.0
131.08571	8.8
132.05269	1.2
133.06485	1.6
133.10143	6.4
135.08070	3.5
137.09671	0.8
141.06969	1.1
142.07764	2.0
143.08586	5.8
144.05698	1.2
144.09230	0.9
145.06497	6.9
145.10150	6.2
147.08060	27.5
147.11710	1.0
148.08401	2.2
149.09659	3.9
153.07018	1.1
154.07825	1.1
155.08568	2.8
156.09348	3.5
157.06552	1.2
157.10156	14.4
158.07332	1.1
158.10526	1.4
159.08064	16.0
159.09250	1.3
159.11725	7.9
160.08437	1.4
161.05981	1.0
161.09630	11.1
161.13347	1.0
163.07558	19.1
164.07922	1.7
165.07016	1.5
167.08534	0.9
167.10706	1.2
169.10150	6.5
170.10861	3.2
171.08072	3.0
171.11711	17.0
172.12059	1.3
173.05951	2.3
173.09627	8.6
173.13316	3.7
175.07607	4.1
175.11169	2.4
179.08661	1.0
180.09404	1.1
181.10168	1.9
183.08060	1.3
183.11707	9.7
184.08714	1.1
184.12068	2.0
185.09648	4.0
185.13281	10.9
187.07603	1.6
187.11229	4.0
189.09091	2.4
193.10199	1.9
195.08119	0.9
195.11737	2.1
197.09555	2.5
197.13306	3.0
199.11235	6.7
199.14783	0.8
201.09129	1.6
201.12730	4.0
203.10635	1.0
206.10861	1.2
207.11679	2.3
209.09616	1.4
209.13255	2.0
210.10379	0.9
211.11180	3.2
213.09201	0.9
213.12846	6.4
215.10704	2.1
215.14323	0.9
217.12254	2.2
218.10722	1.1
219.11809	1.1
221.13272	1.1
223.11165	2.6
223.14897	1.0
225.12802	1.9
227.10699	1.9
229.12256	1.9
229.77473	1.0
231.13779	5.3
232.12378	1.0
233.13226	1.2
233.15399	2.2
235.11134	1.1
237.12718	1.8
237.16374	1.1
241.12263	3.4
243.13892	2.4
244.12209	0.8
245.15428	5.4
246.13904	0.9
247.13249	1.2
249.12756	1.0
249.14935	1.3
255.13756	1.1
259.13303	4.1
259.89398	0.9
261.12613	2.1
263.14172	1.4
263.16586	2.0
269.13171	1.1
273.12399	0.9
273.14862	4.5
274.13254	1.2
275.14151	0.8
277.14487	1.1
283.14697	0.9
287.14279	1.2
291.15939	2.0
298.13403	1.0
299.14307	1.1
300.15155	1.0
303.17477	0.8
313.12222	0.9
313.15829	2.1
315.17557	3.8
316.17764	1.5
317.18875	1.7
323.16309	0.9
327.17374	3.1
329.19019	1.3
331.20114	1.1
333.18283	1.3
335.20187	1.0
341.18893	1.7
345.18445	3.3
356.20837	1.5
359.20178	1.9
373.17773	1.1
374.21832	2.6
375.19632	1.9
377.21103	2.0
387.19388	3.6
389.21100	3.0
391.22723	3.1
392.22931	1.1
401.21182	2.2
403.18893	1.0
405.20685	7.2
407.21994	2.6
409.23282	0.9
411.22058	1.3
419.22174	10.6
423.21686	6.7
425.23425	1.6
437.23264	10.0
451.20944	2.0
455.24374	4.8
462.13556	0.9
469.22104	2.9
571.26563	4.0
585.27173	2.6
599.26208	2.8
603.29419	8.0
617.27185	1.3
635.28082	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	634.322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53952	1.7
55.01854	2.9
55.05511	4.2
67.05489	5.4
69.03436	20.0
69.07049	3.0
69.21474	17.2
71.04995	3.3
79.05474	5.9
81.07050	7.1
83.04971	4.4
91.05486	12.8
93.07029	7.8
95.04972	4.2
95.08599	4.9
97.06506	2.9
98.21497	4.6
98.55850	1.7
103.05466	4.8
105.07036	16.2
107.08584	8.1
109.06512	5.6
109.10165	2.9
115.05427	8.7
117.07018	21.9
119.08611	15.9
121.06504	5.2
121.10126	5.2
123.08099	1.9
128.06219	7.3
129.06989	7.7
131.04907	3.9
131.08578	11.0
133.06491	4.8
133.10141	15.1
135.08112	4.5
137.09602	3.4
141.07025	1.9
142.07851	4.3
143.08572	13.2
144.09120	1.8
145.06512	14.4
145.10150	11.4
147.08084	8.8
149.09615	7.4
155.08556	8.1
156.09354	7.2
157.06534	2.4
157.10149	17.3
159.08121	9.2
159.11703	5.2
161.05957	6.4
161.09631	8.6
162.06659	2.0
163.07570	6.8
165.07036	4.2
165.09079	3.2
166.07735	1.9
167.08575	2.7
168.09393	2.4
169.10092	7.8
170.10953	4.9
171.08034	9.0
171.11723	21.1
172.08826	2.6
173.05983	8.0
173.09607	8.3
173.13210	1.8
175.07521	6.0
175.11165	3.0
176.08272	3.6
177.09103	26.8
179.08545	2.4
179.10625	2.6
180.09320	2.9
181.10085	3.0
183.08090	4.4
183.11684	14.5
184.08835	2.2
185.09636	8.1
185.13248	20.3
186.13535	2.1
187.11176	6.6
189.05557	2.2
189.09090	6.9
191.06920	1.9
191.10684	7.0
192.91817	1.8
193.10175	3.4
195.11694	5.7
197.09621	6.0
197.13177	4.6
199.07509	2.3
199.11209	11.5
200.11923	4.1
201.09064	5.4
201.12801	5.3
203.07024	2.9
203.10683	4.6
205.08510	5.1
205.10329	2.2
205.12352	1.8
207.11728	4.2
209.13193	3.1
211.11203	5.2
213.09134	5.7
213.12724	18.6
215.10698	4.6
217.08498	5.9
217.12126	3.1
218.10960	3.5
219.11821	3.4
220.12378	1.9
221.13191	4.0
223.11153	4.1
227.10593	2.4
229.12241	6.0
230.10732	2.2
231.09930	3.0
231.11914	3.4
231.13817	9.6
231.15889	2.3
232.12366	2.3
233.13406	3.7
235.14668	2.5
237.09004	1.8
241.12276	4.6
245.13412	2.3
246.10458	1.9
246.13809	2.0
247.11046	3.0
247.14941	2.9
249.12741	3.5
257.13379	3.1
258.13953	5.1
259.10989	3.1
259.13376	5.6
261.12778	3.5
261.16290	2.7
271.10849	1.9
271.14819	4.6
272.15588	2.2
273.12476	3.0
273.16669	2.8
275.12820	3.0
277.14471	2.6
279.13745	2.4
281.15823	2.4
284.11902	3.4
285.12845	3.7
285.16071	2.2
287.14163	3.6
289.15894	1.9
299.17609	2.4
301.15710	3.7
305.15274	2.6
311.14352	2.4
314.12979	2.6
315.17441	2.6
325.15671	1.9
327.13760	2.9
329.15201	3.4
329.18948	3.7
331.16858	3.3
333.18390	2.2
339.17450	2.3
343.16821	5.7
345.18378	2.0
347.20126	3.2
357.18436	7.8
359.16299	3.0
361.17923	4.4
373.18021	2.8
375.19516	7.7
385.17798	7.8
391.18951	2.8
393.20624	5.6
403.19089	22.1
421.20163	21.5
435.21481	5.5
439.21188	5.0
453.22552	7.7
455.13748	2.3
463.21207	2.9
478.17004	1.8
481.22131	8.1
489.22626	2.1
495.24152	2.9
499.23343	2.1
513.24677	12.3
537.76276	2.1
539.25934	2.9
567.26001	16.9
581.27246	5.8
585.26465	6.6
599.28522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.01860	9.3
55.05262	4.7
55.05514	73.9
57.03447	3.7
57.64288	2.9
65.03935	3.0
65.75113	3.0
67.05505	9.3
69.03412	6.2
69.07053	7.1
69.34634	7.4
69.35056	16.9
79.05497	16.7
81.03408	8.0
81.07043	13.2
83.01304	4.1
83.04987	100.0
91.05489	27.4
93.07063	22.0
95.04973	11.2
95.08591	11.9
97.02919	3.9
97.06494	5.5
98.06051	3.2
103.05456	12.1
105.07032	34.8
107.04919	5.0
107.08575	16.9
109.06533	13.2
109.10162	7.8
115.05458	10.4
116.10725	11.2
117.07027	24.5
119.05008	4.1
119.08576	27.0
121.06492	5.1
121.10146	9.1
123.08030	6.8
126.05533	4.4
128.06186	3.2
129.06985	9.1
131.04936	20.0
131.08553	21.1
133.06468	16.7
133.10129	32.2
135.08044	13.7
135.11723	3.4
137.06001	6.6
137.09615	3.6
141.06976	4.4
142.07793	8.1
143.08566	19.0
145.05460	4.1
145.06459	22.3
145.10144	20.8
147.08057	22.1
147.11678	6.1
149.09618	15.6
155.08516	10.9
156.09351	10.9
157.06477	2.9
157.10172	30.3
159.08054	17.9
159.11678	12.4
161.06023	21.8
161.09587	20.8
163.07515	16.5
165.06970	3.3
165.09129	8.3
169.10130	18.8
170.10825	7.6
171.08020	10.7
171.11697	49.1
173.05962	12.4
173.09622	19.5
173.13283	8.3
175.07590	6.7
175.11171	4.7
177.09135	13.4
179.08649	3.5
179.10677	4.3
180.09282	4.0
181.10162	6.7
183.08046	5.0
183.11708	37.4
184.08902	4.6
184.12321	3.8
185.09641	12.4
185.13254	37.1
187.07587	4.7
187.11220	14.1
189.05469	5.8
189.09106	6.6
189.12851	3.6
191.07013	5.3
191.10703	7.8
192.09460	3.2
193.10156	5.0
194.10924	5.6
195.08037	2.8
195.11691	14.0
196.12456	5.0
197.09639	15.1
197.13309	9.1
198.10359	4.5
199.11201	23.7
200.11908	7.6
201.09163	9.3
201.12791	11.4
203.10661	4.4
206.11589	2.9
207.08076	3.8
207.11679	11.6
208.12292	6.9
209.09645	5.1
209.13286	5.5
211.11148	10.5
213.09180	4.9
213.12791	34.0
214.17928	14.8
215.10649	10.0
217.08508	5.3
217.10367	4.0
217.12250	8.8
219.11766	4.6
220.12473	5.5
221.13248	8.9
222.10429	3.8
223.11217	4.9
223.14865	3.0
225.09174	3.7
225.12726	4.1
227.10654	5.9
229.12228	11.7
231.09941	6.6
231.11885	5.4
231.13728	22.8
233.13373	6.0
235.11162	4.4
235.14825	6.6
237.12714	4.2
239.10709	3.6
239.14262	3.5
241.12306	13.8
243.13884	6.2
245.13364	5.8
246.14091	3.9
247.11143	3.3
247.14894	7.2
248.12234	3.4
248.15225	3.4
249.12732	6.4
251.14429	3.7
257.13272	7.4
258.14203	3.7
259.13116	18.6
260.12073	3.7
260.15601	4.2
261.16650	5.8
263.14417	4.7
265.12506	4.4
269.13321	3.6
271.11127	4.2
271.14804	6.7
272.11768	3.6
272.15509	3.3
273.12527	5.7
273.16541	5.0
274.17575	3.1
275.17728	3.7
276.15067	4.5
277.14432	6.1
279.13626	3.5
285.12622	4.3
285.16351	3.6
286.13400	3.3
287.10706	4.4
287.14383	3.9
287.17801	3.6
289.15784	5.8
297.12708	4.2
297.16336	3.7
298.13544	4.4
298.17300	3.6
300.14758	3.5
301.15863	5.9
303.17404	5.0
305.15387	5.1
307.13312	3.5
313.15768	6.4
314.16479	4.7
315.13693	4.0
315.17261	6.2
319.17157	5.1
320.17761	3.4
321.14847	3.7
329.18997	3.3
331.16837	11.0
333.18469	6.7
337.17880	4.2
343.16699	14.9
345.14716	3.7
345.18610	3.9
347.19888	7.5
357.18433	15.6
359.16180	4.3
361.17935	12.8
373.17929	4.8
375.19589	21.7
385.17935	17.8
391.18994	6.6
393.20508	10.6
403.19049	58.4
409.20105	4.2
421.20154	69.1
432.22507	5.3
439.21198	19.5
463.20883	10.4
481.22241	32.8
499.23407	31.9
530.29987	5.4
563.26141	6.5
581.27509	52.1
599.28613	19.2
616.30560	3.9
634.33258	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01863	7.4
55.05506	3.2
56.12273	1.6
57.03440	3.5
59.46439	1.5
66.59428	1.8
67.05500	7.6
69.03430	4.0
69.07075	2.4
74.26741	1.7
79.05502	12.0
80.05006	2.0
80.76902	1.9
81.03400	8.9
81.07048	7.7
83.04987	4.5
91.05492	12.1
93.07056	8.5
95.04975	16.0
95.08616	6.0
103.05446	15.1
104.05796	2.8
105.03391	4.1
105.07044	27.1
107.04950	5.5
107.08591	7.4
109.06502	10.6
109.10132	2.2
115.05456	6.6
115.09704	1.6
117.07023	8.6
119.04958	3.0
119.08585	11.5
121.02879	2.5
121.06485	8.2
121.10133	3.5
123.04370	2.8
123.08082	4.7
128.06232	4.0
129.07001	10.1
131.04918	20.8
131.08580	14.7
132.05260	6.6
133.06503	21.1
133.10123	5.8
135.08092	8.3
137.05983	5.1
139.03896	3.5
141.06993	5.2
142.07755	6.4
143.08604	17.0
145.06485	16.2
145.10100	10.6
147.08055	7.7
149.06001	4.3
149.09659	2.2
151.07542	7.9
153.07030	1.8
154.07730	3.1
155.08531	7.3
156.09377	7.1
157.06482	5.0
157.10112	11.4
158.07272	2.0
159.04440	2.5
159.08058	15.5
159.11705	6.8
161.05988	38.8
161.09668	8.8
163.07542	11.5
163.11169	2.5
165.05513	1.9
165.06967	2.3
166.07762	4.2
167.07076	1.8
167.08516	3.7
168.09361	2.9
169.06483	4.2
169.10162	10.2
171.08058	6.5
171.11662	16.5
172.08746	2.4
173.05988	3.7
173.09601	8.0
173.13301	5.2
175.07498	4.6
175.11205	3.7
179.07066	9.2
179.08464	2.6
181.10089	6.6
183.08144	3.6
183.11708	6.0
184.08835	6.0
184.12091	2.0
185.06015	3.9
185.09598	11.7
185.13254	3.1
186.06783	1.8
186.10365	2.1
187.07578	4.8
187.11163	5.1
189.09111	6.0
193.10173	2.3
193.73553	1.7
195.08118	3.2
195.11630	4.3
197.09627	13.1
197.13402	2.2
199.07509	9.4
199.11189	22.0
200.11896	4.1
201.08957	2.8
201.12773	23.9
202.12991	2.3
203.08710	2.2
205.08562	3.7
207.11716	4.3
208.08853	2.0
209.09660	7.1
211.11150	4.5
212.08318	2.3
213.05499	7.6
213.09145	8.5
213.12766	3.1
215.10751	6.3
217.08575	11.2
219.06477	1.8
221.13213	2.6
221.15208	1.8
223.11159	3.6
225.09148	10.9
227.10677	30.2
229.08592	2.4
229.12325	5.8
230.05643	3.0
231.13779	3.5
235.09579	2.7
237.09082	2.6
237.12738	2.7
239.10693	3.2
239.98647	1.8
241.12152	4.1
245.08101	63.9
245.11775	3.6
249.11244	5.6
251.10701	3.6
253.08475	3.3
255.10063	4.2
255.13994	2.2
257.08063	4.7
257.11774	4.1
259.13470	3.3
260.12000	2.1
263.10458	2.6
265.08707	1.8
269.11679	3.3
275.10370	2.0
281.11887	1.8
285.11142	4.7
287.12799	39.5
303.12381	5.9
303.15796	2.0
314.12979	2.2
319.15479	14.0
329.13928	11.1
331.16983	2.1
342.14700	2.9
347.16504	2.1
357.13553	5.2
359.16104	2.2
385.59467	2.2
387.14413	14.4
388.15189	21.3
389.15973	100.0
405.15704	7.6
421.18469	13.6
437.19492	2.4
447.18002	14.8
453.18857	3.2
461.18253	2.2
465.19159	13.3
479.21008	2.3
481.22238	11.2
483.20078	7.3
485.38858	1.9
489.19180	2.8
491.19760	2.3
507.20230	17.1
521.21649	2.1
539.23059	4.6
549.21295	30.3
555.22589	9.1
557.84094	1.9
567.22198	42.1
585.23499	15.9
617.26031	14.9
634.41705	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	633.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10565	1.3
51.02374	1.7
53.03940	4.8
53.99295	1.3
54.06561	1.4
55.01883	3.0
55.05266	2.2
55.05519	34.7
57.03429	4.2
57.07075	8.1
65.03937	4.8
65.89445	1.4
67.05509	87.5
69.07072	46.0
69.07458	1.8
69.20171	11.2
71.04991	10.8
71.08626	5.1
78.07651	1.5
79.05499	48.9
81.07062	100.0
83.04978	6.1
83.08143	2.4
83.08623	33.5
85.02901	1.6
85.06543	3.8
85.10171	2.9
91.05488	67.6
93.07052	47.0
95.04990	7.0
95.08614	78.0
97.06553	10.6
97.10172	18.6
98.20721	3.1
101.73460	1.6
105.07034	41.0
107.04966	4.2
107.08607	24.5
109.06508	3.7
109.10165	29.4
111.08098	5.1
111.11730	6.2
113.09643	1.9
115.05447	3.2
117.07024	31.7
119.08592	30.7
121.06547	3.9
121.10149	26.8
123.08095	5.0
123.11716	9.4
125.09642	4.6
128.06248	2.9
129.07021	11.0
131.08572	34.3
133.10144	27.3
135.08052	3.0
135.11711	20.0
135.60710	1.6
137.09659	5.1
137.13254	2.7
139.11217	4.1
141.07034	5.9
143.08569	11.1
145.10136	25.0
147.11679	12.9
149.09631	3.9
149.13310	5.2
151.11208	3.7
153.12741	3.0
155.08540	7.1
155.10617	1.7
157.10118	8.8
157.12262	1.5
159.11694	12.4
161.09630	2.1
161.13272	7.9
163.11235	4.6
165.12752	3.2
169.10172	5.3
171.11700	9.4
173.13255	7.2
175.14844	3.6
177.12721	3.4
179.14296	3.6
181.10091	2.1
183.11708	3.1
185.13307	4.9
193.12206	1.8
196.70810	1.4
197.13292	3.1
199.14876	1.8
207.13882	1.6
209.15495	1.7
217.19568	5.5
227.12779	3.0
231.17537	2.4
233.15405	2.3
235.20561	3.4
239.18044	5.7
257.19022	21.2
259.20676	2.6
273.18649	1.9
275.20062	27.1
289.21750	2.4
293.21408	1.7
311.25861	5.6
313.21671	4.2
325.23846	6.6
327.25302	25.3
327.28906	2.0
331.22684	19.4
341.26962	4.2
349.23853	1.6
363.25516	4.2
369.97986	1.4
397.33603	1.6
448.34140	1.5
461.65710	1.6
487.10645	1.9
487.38046	2.0
491.38770	2.6
505.38977	4.0
507.36847	1.8
509.39993	2.3
521.38171	9.3
557.41656	2.8
583.43622	31.1
589.44751	4.1
601.44592	24.4
615.46777	5.2
633.47314	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01878	0.5
55.05515	8.2
57.07066	2.1
59.05008	2.0
65.03945	1.2
67.05511	19.5
69.03433	8.0
69.07075	12.5
71.04988	2.8
71.08635	0.7
77.11861	0.4
79.05486	4.7
79.05833	0.4
81.03422	3.0
81.07063	22.8
83.04987	9.8
83.05466	0.9
83.08626	6.7
85.02908	1.7
85.06551	2.9
87.08155	0.7
91.05473	5.8
93.07053	11.9
94.22378	0.4
95.04973	2.6
95.08614	33.9
97.02901	1.7
97.06551	1.5
97.10199	2.4
98.20731	1.3
99.04444	0.7
99.08096	3.8
102.69057	0.4
105.07038	9.0
107.04906	0.5
107.08609	19.7
109.02885	1.2
109.06522	10.1
109.10164	96.8
110.10519	0.4
111.04451	0.6
111.08100	3.1
111.11761	0.6
113.09666	1.6
117.07037	1.2
119.08589	31.3
121.06544	0.7
121.10147	13.0
121.50563	0.4
123.08070	13.7
123.11726	8.9
125.09641	1.0
127.03906	0.8
127.11245	1.3
129.06995	0.7
131.08601	1.8
133.10141	21.6
135.11702	86.6
136.12013	0.5
137.09624	16.6
138.10439	0.5
139.11201	2.6
143.08560	0.6
145.04974	0.8
145.10120	2.0
147.08057	0.5
147.11674	2.2
149.12148	0.8
149.13271	7.0
151.11197	9.2
151.13670	0.8
151.14838	12.7
153.12737	1.9
155.08493	0.5
156.78152	0.5
157.10106	0.7
159.11716	1.4
161.13208	0.6
165.12811	0.8
165.16422	3.2
169.10225	0.6
171.11766	0.6
173.13194	0.6
175.14838	40.7
185.13239	0.4
187.14861	0.6
193.15895	48.6
197.13309	0.6
211.16943	100.0
239.04269	0.5
261.22180	0.9
303.22913	0.5
369.24155	0.6
387.25266	0.6
405.26166	0.9
633.41107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36670	1.0
53.03941	5.2
55.01860	4.2
55.05512	19.9
57.03442	5.5
57.07067	3.8
59.04991	3.8
62.54029	1.1
65.03630	1.0
65.03936	5.4
67.05508	100.0
69.03433	34.9
69.07069	14.9
69.21194	11.0
71.05009	6.0
79.05495	34.3
80.12626	1.0
81.03422	23.3
81.06579	2.3
81.07060	44.3
82.36074	0.9
82.64998	1.0
83.04985	10.0
83.08618	10.3
85.02901	4.3
85.06535	3.8
87.04467	1.3
91.05485	35.2
93.07043	35.5
95.04974	13.3
95.08614	29.3
97.02879	5.2
97.06544	3.8
97.10172	4.6
99.04454	4.4
99.08074	1.7
103.05479	3.3
103.56936	1.2
105.03375	1.9
105.04507	1.2
105.07038	26.4
107.04963	3.8
107.08601	22.2
109.02886	4.7
109.06522	4.9
109.10159	60.8
111.04463	6.8
111.08080	3.8
113.06010	1.4
115.05456	3.1
117.07025	14.0
119.08579	23.9
119.09364	2.0
121.06501	4.5
121.10139	17.1
123.08090	4.5
123.11732	1.9
125.09618	5.2
127.03912	4.6
128.06252	3.7
129.05513	2.2
129.06998	7.7
130.07779	1.6
131.04913	2.0
131.08565	21.3
133.06538	3.7
133.10132	17.7
135.08063	5.4
135.11679	7.6
137.05981	1.8
137.09634	5.9
141.07024	2.7
142.07814	2.0
143.08557	9.5
145.06509	3.8
145.10149	15.6
147.08075	5.4
147.11702	10.8
149.09653	4.2
149.13292	2.9
151.07582	2.1
155.08592	5.0
155.10640	5.6
157.06505	2.6
157.10153	10.4
157.75250	1.1
159.08073	4.3
159.11707	11.2
161.09625	3.6
161.13229	5.3
163.11192	2.6
163.14841	1.2
165.09135	1.3
167.08556	2.9
169.10136	6.2
171.08066	1.5
171.11691	7.8
173.09673	2.7
173.11763	15.7
173.13297	7.0
175.11189	3.5
175.14732	2.4
177.12869	2.1
179.08627	1.4
181.10190	3.5
181.12325	1.4
183.11708	5.2
185.09671	2.0
185.13261	5.4
187.11276	3.7
187.13289	1.0
187.14873	4.0
189.09229	1.0
189.11259	3.7
189.12750	2.8
193.12245	1.6
194.11003	1.0
195.11668	1.9
197.13272	4.2
199.11255	2.0
199.14873	2.9
203.14316	2.1
207.13835	1.2
209.13354	1.9
211.14966	2.3
213.12793	1.6
215.14334	1.1
217.16064	1.1
221.13391	1.9
221.15343	1.5
223.15004	1.4
225.12880	1.1
225.16429	1.6
227.12613	2.0
227.14626	1.3
229.12202	0.9
229.14339	19.2
241.19441	1.4
243.21135	1.3
259.20663	2.4
261.22244	2.2
271.20816	1.2
275.20239	1.1
277.21686	2.9
283.20651	1.6
285.18945	1.2
285.22116	2.4
287.16296	1.1
287.20135	1.1
297.22232	1.2
299.14990	4.1
301.21851	5.1
303.23331	1.4
313.21597	2.3
315.19675	1.4
315.23453	1.5
319.22827	3.3
323.23737	2.6
327.23178	2.5
339.23672	1.4
341.24921	2.2
345.24350	3.1
351.22983	7.4
353.24661	2.9
355.17603	3.5
357.24402	1.7
369.24277	12.7
371.25876	1.2
387.25256	7.9
405.26257	3.3
425.26767	1.4
443.28204	4.5
461.28745	8.7
489.36389	2.3
547.36914	1.6
565.76117	1.2
585.37885	1.8
597.38177	6.0
615.38745	12.7
633.40027	72.5
634.39886	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.3
55.01864	1.1
55.05516	4.7
57.03424	0.6
59.05005	0.7
67.05526	2.4
69.03436	1.9
69.07080	2.2
69.43716	3.2
69.44124	1.5
69.56273	0.6
70.06601	1.7
71.05005	0.7
77.00901	0.6
77.56679	0.6
79.05501	3.5
81.03430	1.5
81.07066	3.7
83.04984	8.5
85.02921	2.0
85.06599	0.9
89.80497	0.7
91.05476	3.1
93.07037	3.1
95.04974	2.0
95.08624	2.5
97.02906	0.6
97.06551	1.7
99.04491	1.1
100.07670	0.9
103.01702	0.5
103.03930	0.7
103.05466	0.6
105.07042	4.6
107.05016	0.9
107.08597	2.9
109.02943	0.6
109.06561	1.7
109.10175	1.9
111.04440	0.7
111.08130	0.8
117.07045	1.6
119.08589	3.6
121.06544	2.0
121.10195	1.7
123.08079	0.9
127.03986	0.8
129.07036	1.3
131.04955	0.9
131.08595	2.0
133.06548	1.8
133.10161	2.6
135.08015	1.3
137.06024	1.3
142.07819	1.2
143.08585	2.6
145.06573	1.4
145.10188	1.8
147.08049	3.2
147.11716	0.9
149.05991	1.0
149.09641	1.2
151.07623	1.0
155.08629	1.8
156.09325	1.1
157.10173	3.3
159.08060	1.5
159.11722	0.9
160.09811	0.7
161.06065	1.8
161.09685	2.1
161.81335	0.6
163.07478	0.8
167.08575	1.0
169.10182	2.5
170.10944	0.9
171.08064	1.6
171.11697	4.3
173.09660	2.3
177.05560	0.7
179.07137	0.9
179.08652	1.1
181.10269	0.7
183.08147	1.0
183.11740	2.6
185.09703	1.7
185.13295	1.9
187.11247	1.0
193.10161	1.2
195.11734	2.4
197.09808	1.1
197.13335	1.5
199.07654	0.9
199.11258	2.0
201.09204	1.3
201.12758	0.7
203.05327	1.6
203.10835	0.7
205.12215	0.7
206.10934	1.2
207.11803	1.1
209.13326	1.1
211.11168	1.1
213.12857	2.7
215.10834	0.9
215.14459	0.7
218.10902	0.7
220.12183	0.8
223.11247	0.8
225.12766	1.3
227.10696	0.6
229.12318	1.2
231.11877	0.9
231.14017	1.6
233.13348	1.1
244.12463	0.8
245.06242	5.0
245.13110	2.7
246.14204	0.8
247.11292	0.9
247.15022	0.8
255.14911	1.1
258.14182	0.9
259.13440	1.8
261.16592	1.0
263.14377	0.7
273.16080	0.7
275.18146	0.8
279.14139	0.7
279.17368	0.9
288.14981	0.7
289.05298	11.9
289.15958	0.9
291.17474	1.1
299.14075	0.8
301.15945	1.1
303.13669	0.8
303.17276	0.7
311.20407	0.6
317.15466	1.2
317.19049	0.9
319.17090	1.0
321.18701	2.1
331.16873	1.0
331.23389	0.6
333.18655	0.8
337.17963	1.1
337.26163	1.9
339.19736	1.4
345.14664	0.8
345.18594	0.8
349.18149	1.2
349.27185	1.7
359.16501	0.8
363.19632	0.7
366.26843	0.7
367.19070	0.8
367.28192	18.4
373.18109	1.8
375.78452	0.6
377.17535	1.7
385.29089	5.4
387.67252	0.7
391.19189	1.8
395.18491	0.9
397.19849	0.9
401.17526	1.2
409.20483	1.2
419.18613	3.2
420.19345	0.7
437.19797	4.7
438.19830	1.2
455.20593	3.3
473.21750	1.7
497.22116	0.9
498.22577	0.9
515.22870	1.1
516.23431	2.0
547.34308	4.6
571.34625	1.2
589.35632	9.9
615.25116	1.3
615.33978	3.9
633.34650	100.0
634.34802	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.3
55.01864	1.1
55.05516	4.7
57.03424	0.6
59.05005	0.7
67.05526	2.4
69.03436	1.9
69.07080	2.2
69.43716	3.2
69.44124	1.5
69.56273	0.6
70.06601	1.7
71.05005	0.7
77.00901	0.6
77.56679	0.6
79.05501	3.5
81.03430	1.5
81.07066	3.7
83.04984	8.5
85.02921	2.0
85.06599	0.9
89.80497	0.7
91.05476	3.1
93.07037	3.1
95.04974	2.0
95.08624	2.5
97.02906	0.6
97.06551	1.7
99.04491	1.1
100.07670	0.9
103.01702	0.5
103.03930	0.7
103.05466	0.6
105.07042	4.6
107.05016	0.9
107.08597	2.9
109.02943	0.6
109.06561	1.7
109.10175	1.9
111.04440	0.7
111.08130	0.8
117.07045	1.6
119.08589	3.6
121.06544	2.0
121.10195	1.7
123.08079	0.9
127.03986	0.8
129.07036	1.3
131.04955	0.9
131.08595	2.0
133.06548	1.8
133.10161	2.6
135.08015	1.3
137.06024	1.3
142.07819	1.2
143.08585	2.6
145.06573	1.4
145.10188	1.8
147.08049	3.2
147.11716	0.9
149.05991	1.0
149.09641	1.2
151.07623	1.0
155.08629	1.8
156.09325	1.1
157.10173	3.3
159.08060	1.5
159.11722	0.9
160.09811	0.7
161.06065	1.8
161.09685	2.1
161.81335	0.6
163.07478	0.8
167.08575	1.0
169.10182	2.5
170.10944	0.9
171.08064	1.6
171.11697	4.3
173.09660	2.3
177.05560	0.7
179.07137	0.9
179.08652	1.1
181.10269	0.7
183.08147	1.0
183.11740	2.6
185.09703	1.7
185.13295	1.9
187.11247	1.0
193.10161	1.2
195.11734	2.4
197.09808	1.1
197.13335	1.5
199.07654	0.9
199.11258	2.0
201.09204	1.3
201.12758	0.7
203.05327	1.6
203.10835	0.7
205.12215	0.7
206.10934	1.2
207.11803	1.1
209.13326	1.1
211.11168	1.1
213.12857	2.7
215.10834	0.9
215.14459	0.7
218.10902	0.7
220.12183	0.8
223.11247	0.8
225.12766	1.3
227.10696	0.6
229.12318	1.2
231.11877	0.9
231.14017	1.6
233.13348	1.1
244.12463	0.8
245.06242	5.0
245.13110	2.7
246.14204	0.8
247.11292	0.9
247.15022	0.8
255.14911	1.1
258.14182	0.9
259.13440	1.8
261.16592	1.0
263.14377	0.7
273.16080	0.7
275.18146	0.8
279.14139	0.7
279.17368	0.9
288.14981	0.7
289.05298	11.9
289.15958	0.9
291.17474	1.1
299.14075	0.8
301.15945	1.1
303.13669	0.8
303.17276	0.7
311.20407	0.6
317.15466	1.2
317.19049	0.9
319.17090	1.0
321.18701	2.1
331.16873	1.0
331.23389	0.6
333.18655	0.8
337.17963	1.1
337.26163	1.9
339.19736	1.4
345.14664	0.8
345.18594	0.8
349.18149	1.2
349.27185	1.7
359.16501	0.8
363.19632	0.7
366.26843	0.7
367.19070	0.8
367.28192	18.4
373.18109	1.8
375.78452	0.6
377.17535	1.7
385.29089	5.4
387.67252	0.7
391.19189	1.8
395.18491	0.9
397.19849	0.9
401.17526	1.2
409.20483	1.2
419.18613	3.2
420.19345	0.7
437.19797	4.7
438.19830	1.2
455.20593	3.3
473.21750	1.7
497.22116	0.9
498.22577	0.9
515.22870	1.1
516.23431	2.0
547.34308	4.6
571.34625	1.2
589.35632	9.9
615.25116	1.3
615.33978	3.9
633.34650	100.0
634.34802	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01875	2.2
55.05516	2.5
62.04479	1.9
66.39719	2.4
67.05511	5.0
69.03437	2.8
69.07063	3.5
69.63772	12.0
79.05495	9.2
80.02611	2.1
81.03405	2.7
81.07045	4.8
83.04990	5.8
91.05487	18.8
93.07039	9.5
95.04971	9.2
95.08602	3.1
98.20728	2.2
103.05475	47.9
104.05764	3.6
105.03400	22.8
105.07037	17.2
107.08582	6.1
109.06493	3.4
111.04460	5.9
115.05453	4.1
117.07007	22.6
119.08574	20.2
121.06501	7.1
121.10144	3.4
123.08091	2.2
123.66426	2.4
125.05995	4.2
128.06239	5.3
129.07014	7.9
131.04938	100.0
131.08591	15.4
132.05254	10.1
133.05556	2.9
133.06509	10.5
133.10176	10.3
133.97562	2.2
135.08029	3.7
141.06956	4.6
142.07759	5.8
143.08604	13.7
145.06509	14.1
145.10110	11.6
147.08055	8.6
147.11658	2.7
149.09650	6.8
151.07524	2.9
153.06956	2.8
155.08551	6.6
156.09320	5.8
157.06451	2.5
157.10141	21.4
159.08064	13.3
159.11713	13.9
161.05981	8.9
161.09587	7.0
162.06700	3.8
163.07576	7.0
163.11185	3.9
165.06976	2.9
167.08575	2.4
168.09314	3.6
169.10143	13.1
170.10854	3.9
171.08026	4.2
171.11696	24.2
173.09653	10.0
173.13304	2.6
175.07614	11.8
175.11096	4.5
177.09116	25.2
178.06247	5.1
179.08562	3.6
180.09303	2.3
181.10136	5.1
183.08009	6.1
183.11729	22.1
185.09621	7.2
185.13268	16.5
187.11185	7.8
189.09131	10.1
191.10735	6.9
193.08630	19.7
193.10139	3.8
194.85049	2.2
195.08162	2.8
195.11720	4.9
197.09622	6.8
197.13185	3.7
197.23653	2.5
199.11218	8.1
201.09018	4.5
201.12747	3.8
203.10655	3.8
205.08580	6.0
205.12271	3.0
207.11732	7.5
208.12233	2.0
209.09492	2.4
209.13243	4.6
211.11201	7.2
213.12759	14.6
215.10703	3.4
217.08356	2.8
217.10231	2.7
219.11823	4.3
221.13272	7.1
223.11246	2.8
225.09090	4.3
225.12904	3.1
227.10732	4.3
229.12244	6.9
230.10918	3.6
231.10013	3.6
231.13791	5.2
232.12338	2.6
233.13318	3.1
234.10397	2.3
235.11206	2.1
237.12762	3.7
241.12187	2.8
243.09972	2.9
243.13855	3.2
245.15437	5.0
247.15025	3.0
255.11594	2.2
257.13266	2.5
258.13962	4.4
260.15698	3.2
261.12640	3.4
267.13806	2.4
270.13959	2.6
273.12369	2.7
273.14966	2.4
285.12979	2.4
285.16318	3.5
287.14490	2.9
303.17282	5.0
305.15161	2.4
317.15323	3.6
319.16675	2.5
331.16788	9.7
333.18713	2.6
343.16904	3.2
345.18481	8.5
355.17087	2.4
357.18637	3.6
361.17896	3.9
373.17780	8.3
375.19489	3.9
377.17218	2.7
389.21008	3.0
391.18771	4.3
405.20615	4.5
417.20593	2.9
419.18298	3.1
421.19843	3.0
435.22055	4.7
449.23157	2.5
451.21201	3.5
453.22571	6.0
467.19040	4.5
467.24365	7.2
485.25275	10.4
510.42566	2.3
601.27747	6.2
615.29285	5.7
618.35309	2.4
633.30902	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	633.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
55.05518	33.7
55.14480	2.5
67.05516	6.0
69.03424	5.2
69.07064	4.6
69.77290	4.1
69.77695	9.9
70.73344	2.5
71.04966	3.0
79.05485	11.3
81.07038	8.3
83.04984	52.5
91.05480	24.5
93.07039	11.8
95.04966	9.3
95.08594	10.1
97.06535	2.8
103.05482	51.6
105.03394	3.1
105.07027	29.0
107.04889	4.0
107.08585	12.4
109.06498	6.6
111.04416	4.4
115.05439	7.9
117.07021	23.3
119.04920	4.5
119.08576	29.3
121.06500	12.4
121.10169	6.3
128.06236	8.0
129.07002	9.7
130.07750	5.7
131.04938	100.0
131.08575	21.1
133.06456	13.1
133.10138	21.7
135.08032	10.7
141.06958	4.5
142.07777	9.2
143.08566	23.0
144.09436	3.1
145.06462	12.2
145.10124	18.6
147.08031	11.2
147.11702	3.6
149.09615	16.2
151.07489	4.2
153.07027	4.0
155.08549	8.9
156.09312	11.1
157.06392	3.6
157.10152	27.7
159.08101	15.3
159.11679	13.2
161.05965	10.0
161.09644	15.3
162.06773	4.3
163.07523	8.6
163.11200	3.2
165.06995	4.9
165.09062	3.9
167.08487	4.2
168.09329	3.2
169.10159	20.0
170.10924	7.0
171.08032	6.5
171.11700	41.5
171.80312	3.0
173.05917	5.8
173.09605	16.0
173.13266	6.4
175.07541	10.3
175.11153	3.2
177.09100	26.6
178.06264	5.1
179.06979	5.6
179.08472	4.2
179.10634	3.7
180.09392	5.6
181.10120	6.7
183.08055	9.0
183.11716	34.6
185.09669	15.3
185.13248	25.4
186.16589	2.8
187.07552	3.8
187.11142	14.6
189.09097	11.2
189.12691	4.5
191.10648	8.8
193.08623	13.8
193.10152	6.4
195.11688	10.9
197.09647	7.7
197.13165	6.4
199.11177	18.9
200.11903	4.5
201.09152	8.2
201.12698	7.9
203.10651	6.6
205.08522	5.8
207.11639	8.9
209.09624	4.9
209.13245	7.4
211.11163	13.5
213.09151	4.2
213.12740	31.8
215.08675	3.4
215.10616	5.4
217.08560	7.0
217.12224	3.8
219.11827	5.3
220.12294	5.4
221.13202	11.8
223.11206	6.9
223.14813	4.0
225.12798	4.0
227.10800	3.5
228.91933	2.9
229.12267	6.0
231.09883	4.6
231.11841	4.0
231.13704	18.5
232.08803	3.3
233.13321	7.2
234.14127	4.0
235.11278	5.9
235.14783	6.3
237.09140	3.4
237.12740	5.0
241.12143	6.2
243.11681	5.1
243.13908	5.8
244.12535	5.6
245.13194	8.1
245.15468	4.2
246.14101	4.1
247.11319	5.0
247.14807	9.4
249.16635	5.4
251.10527	3.4
257.13220	5.1
258.13934	4.0
259.12891	13.2
260.15665	4.8
261.12799	5.5
261.16379	5.8
263.17999	3.8
267.11935	3.2
270.13989	4.4
271.14746	5.9
272.12048	3.0
273.12515	5.6
274.13498	4.8
274.17007	4.0
275.14392	6.3
275.17679	5.1
285.12296	3.3
285.16333	4.5
287.14508	4.0
287.17871	3.0
289.12238	3.5
289.15671	4.5
300.15070	3.7
301.12384	3.3
301.15887	3.2
303.13736	6.8
303.17239	4.9
307.16980	5.0
313.15747	3.2
315.17154	4.2
317.15210	4.8
319.16928	6.0
329.15256	5.0
331.16885	7.7
333.18356	7.1
343.16946	5.5
345.18445	10.6
347.16263	3.0
347.20111	5.4
349.18036	5.7
355.16705	3.9
357.18448	4.4
359.16382	8.4
361.17877	8.9
363.19577	5.2
365.17548	3.4
373.17978	12.0
375.19495	6.4
377.17328	9.5
379.19077	5.2
389.17160	5.4
391.18936	12.2
393.20767	6.6
395.18207	6.2
401.17438	7.5
409.19833	13.1
410.20322	3.5
419.18393	20.4
423.22467	3.6
425.19797	3.6
427.21078	5.8
435.21802	7.0
437.19623	39.4
453.22559	9.2
455.20541	29.3
457.22141	5.0
467.24377	10.6
473.21603	6.9
485.25568	14.5
497.21451	9.8
515.22662	10.7
601.27344	7.3
615.28717	8.2
633.22247	2.9
633.30750	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	633.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	13.4
54.69568	4.5
55.01869	13.6
55.05520	26.7
67.05496	16.5
69.03426	12.2
69.07066	6.3
69.18387	11.7
69.18791	46.9
79.05500	25.1
81.03415	11.2
81.07040	18.6
83.04987	58.4
91.05486	42.6
93.07043	33.0
95.04961	26.3
95.08597	14.3
97.06537	6.2
103.05479	60.5
105.03398	11.8
105.07030	53.1
107.04947	10.2
107.08587	18.4
109.02872	5.0
109.06525	10.9
115.05455	17.0
117.07014	16.9
119.04967	5.0
119.08578	43.9
119.39640	4.6
120.89775	5.7
121.06480	18.1
121.10118	7.5
123.04412	9.7
123.08044	6.5
128.06271	9.5
129.06981	17.6
131.04938	97.0
131.08568	23.7
133.06482	36.4
133.10114	19.3
135.08043	12.9
137.05981	8.0
137.61198	4.9
141.06996	12.3
142.07784	11.0
143.08539	33.7
145.06491	22.1
145.10132	16.9
147.07980	29.7
149.05972	21.5
149.09619	17.8
151.03946	4.8
151.07526	6.0
153.05496	11.6
153.06967	11.5
154.07790	6.1
155.08510	32.9
156.09348	19.7
157.06442	6.8
157.10130	39.7
159.04373	7.4
159.08051	22.1
159.11679	16.9
161.05998	40.6
161.09634	20.1
163.07472	12.2
163.11166	8.1
165.06982	11.8
167.08566	17.5
168.09320	8.1
169.06505	12.9
169.10144	32.5
170.10847	8.4
171.08055	15.7
171.11684	40.2
173.09625	23.8
173.13232	9.3
175.07582	8.4
177.05473	19.0
177.09068	9.9
179.07074	7.3
179.08536	13.3
180.09314	9.2
181.10094	14.9
182.10895	12.8
183.08058	34.7
183.11681	35.4
184.08752	7.7
184.12102	7.2
185.05966	7.7
185.09610	17.9
185.13271	19.9
187.07594	12.7
187.11186	12.1
189.08997	6.7
193.10149	10.7
195.06438	8.2
195.11697	36.4
196.08858	10.6
196.12280	5.4
197.09616	33.4
197.13274	49.1
199.07556	12.1
199.11194	44.2
201.12788	9.8
206.10977	6.4
207.11650	16.3
209.09532	10.3
209.13268	13.1
210.10371	8.1
211.07542	6.0
211.11134	17.7
213.09114	12.0
213.12726	20.9
215.07079	5.1
215.10680	11.6
215.14386	10.4
216.09361	7.5
217.08525	8.3
217.10405	5.4
217.12302	13.6
218.10899	5.6
219.11789	8.6
220.12462	7.2
221.13219	13.8
223.07527	5.7
223.11195	13.1
223.14728	6.0
224.11996	6.1
225.09227	10.5
225.12753	89.1
227.14299	9.2
233.13091	6.4
235.14749	7.8
237.12816	6.6
241.08504	10.8
241.12346	7.6
243.09914	8.7
243.13785	64.1
245.13341	9.2
247.14851	6.5
251.10669	6.3
257.08008	11.8
259.09714	20.6
261.14780	13.6
285.14819	6.5
287.10376	5.3
301.10544	8.4
303.12286	22.5
303.15796	7.2
319.16989	7.5
347.16278	10.7
349.14059	6.5
355.16946	11.4
361.18100	9.9
373.18063	6.8
375.16229	5.2
377.17563	7.7
389.17499	8.5
395.18546	6.4
401.17630	10.6
407.18661	7.6
419.18500	40.5
421.20517	7.4
437.19739	34.0
455.20618	22.1
459.22821	5.4
463.17572	9.0
475.23239	8.1
481.18503	18.8
497.21710	37.1
499.19568	18.3
515.22748	100.0
597.26855	17.9
615.27264	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47018	3.6
53.03938	7.1
55.01881	21.5
55.05506	9.9
57.07077	39.1
65.03944	4.2
67.05509	20.5
69.03425	10.4
69.07085	3.9
69.22834	22.1
69.23257	19.2
79.05499	24.6
81.03404	15.8
81.07053	13.0
83.04979	11.3
85.06518	6.9
87.48390	4.0
91.05486	38.3
93.07056	24.6
95.01319	5.6
95.04981	51.8
95.08598	15.7
97.06535	8.3
98.20785	9.2
103.05493	22.2
105.03412	29.7
105.07034	52.9
107.04964	12.1
107.08604	15.4
109.06518	17.4
109.10232	5.9
115.05450	18.5
117.07017	27.8
119.04937	8.3
119.08588	26.0
120.73208	4.1
121.02870	6.3
121.06509	12.8
121.10137	13.3
123.08088	7.9
123.60701	4.3
125.06001	8.2
128.06227	12.8
129.06982	15.4
131.04944	32.6
131.08594	22.7
133.06514	43.9
133.10130	13.8
135.04466	6.0
135.08038	21.6
137.05965	8.7
141.06998	11.5
142.07751	14.6
143.08560	25.6
145.06500	31.3
145.10130	15.5
147.08058	26.9
149.05992	8.5
149.09648	8.5
151.07565	12.2
154.07780	8.7
155.08577	16.1
156.09302	12.5
157.06496	10.7
157.10127	22.0
158.07352	4.6
159.08070	24.7
159.11684	13.8
161.04642	5.4
161.06003	100.0
161.09624	16.2
163.07571	34.3
165.06921	7.3
169.06462	8.9
169.10147	24.1
170.10864	7.8
171.08028	21.5
171.11664	17.0
172.08833	11.6
173.05971	6.4
173.09648	32.9
175.07489	10.9
175.11220	5.9
179.07030	11.8
179.08568	13.9
181.06543	5.7
181.10144	10.6
182.07234	9.2
183.08038	16.7
183.11731	10.4
184.08862	9.2
185.05965	8.1
185.09659	22.5
185.13211	10.6
186.10400	5.4
187.07603	23.2
187.11148	17.9
189.09114	10.3
191.10640	4.4
195.08130	7.3
195.11688	9.4
197.05937	5.5
197.09637	32.4
197.13284	6.2
199.07602	28.0
199.11119	16.6
201.09106	13.8
203.06920	4.7
205.08614	9.5
207.08105	7.0
209.05954	7.3
209.09557	10.8
209.13266	7.2
211.07552	11.1
211.11189	10.3
212.67198	4.4
213.09157	22.4
213.12773	15.3
215.06941	10.3
215.10651	22.5
217.08614	10.2
218.10934	5.5
221.15370	8.9
223.07532	6.9
225.05353	7.6
225.09146	30.6
227.07069	9.7
227.10648	11.0
229.08531	7.7
229.12294	8.7
231.10062	7.9
235.11226	6.0
237.08943	4.7
239.10611	6.0
241.08598	35.1
241.12231	6.2
243.06577	7.1
243.10068	30.9
245.07979	10.2
245.11717	6.4
247.09608	7.8
249.09053	5.0
251.10703	5.3
253.08427	6.4
255.10056	7.4
257.08087	52.4
257.11755	8.1
259.09601	41.4
260.11792	7.8
269.08170	4.5
271.09622	5.4
273.14841	7.8
275.09207	7.3
280.49377	4.7
283.09567	7.2
285.11105	27.0
289.12265	4.7
299.13989	4.8
301.10785	21.1
303.12250	49.7
319.11792	24.4
325.15140	4.7
331.13159	6.5
373.20932	6.7
375.15488	8.8
385.14453	10.3
389.21478	5.7
391.15445	7.0
395.18451	5.9
401.13785	7.1
403.17609	29.2
413.19531	7.8
421.16266	20.2
431.14920	9.3
433.16479	5.1
435.18173	7.5
439.17566	10.7
445.16458	15.9
449.15878	13.9
451.17297	13.6
453.19089	13.8
455.17123	7.3
463.17545	42.8
467.16855	5.2
469.18414	15.6
477.99109	4.6
481.18643	72.3
499.19614	62.4
531.22559	5.9
537.24548	7.5
541.24158	9.2
547.23645	5.6
565.24146	7.6
583.25458	26.4
600.42853	5.2
601.26379	19.1
615.27832	14.2
615.76599	6.2
633.28668	41.3
633.37524	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	633.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72821	3.2
53.03943	4.9
55.01884	9.3
55.05510	15.9
57.03423	3.6
65.03949	4.3
66.94543	3.7
67.05500	16.2
67.97422	3.1
69.03420	6.8
69.07072	8.6
69.41615	3.5
69.86084	17.0
71.05019	6.3
79.05493	34.1
81.03431	7.5
81.07047	18.4
83.04977	17.7
85.02914	4.4
90.09830	4.2
91.05482	47.3
93.07045	41.4
95.04980	30.8
95.08607	18.4
97.06526	8.8
102.20773	3.3
103.05467	31.2
105.03400	14.2
105.07031	61.5
105.07683	5.7
107.04951	12.5
107.08599	33.5
109.06503	16.0
109.10139	6.9
111.04467	3.5
115.05487	4.3
117.07028	23.8
119.08583	91.2
121.06506	20.3
121.10168	16.1
123.08076	9.8
128.06236	13.4
129.07016	14.7
131.04932	57.0
131.08566	33.3
133.06496	17.6
133.10138	33.3
135.08060	30.7
141.06966	8.9
142.07811	16.4
143.08591	36.0
144.09274	5.2
145.06480	14.6
145.10118	33.4
147.08098	29.3
149.09630	44.6
151.07573	7.1
153.06956	3.9
154.02290	4.8
154.07788	6.4
155.08528	21.3
156.09383	18.0
157.10135	84.3
158.11026	6.5
159.08054	25.9
159.11685	44.2
161.06015	11.2
161.09645	21.3
163.07584	10.7
165.07028	9.1
167.08591	15.1
168.09338	6.5
169.10117	40.2
170.10974	18.9
171.08040	9.5
171.11682	57.8
172.08746	5.8
173.09642	22.4
173.13261	12.9
175.11214	7.1
177.05453	4.9
177.09081	9.6
179.07179	4.8
179.08588	15.4
180.09315	8.9
181.10083	18.3
182.07422	5.2
182.10921	5.7
183.08134	9.7
183.11696	100.0
185.09659	19.1
185.13278	28.1
187.07680	5.4
187.11255	21.5
189.09204	6.4
191.10686	6.5
192.09352	10.9
193.10149	23.3
193.12263	16.9
194.10854	9.5
195.07977	4.7
195.11694	21.2
196.12474	5.6
197.09613	14.8
197.13182	19.1
199.11227	20.0
201.09148	9.3
201.12704	12.1
203.08521	7.3
205.10194	10.2
206.10873	19.6
207.11734	33.1
207.13553	5.4
208.12433	8.5
209.09618	11.0
209.13237	15.4
210.10457	5.8
211.11221	20.7
211.14735	6.9
212.11697	5.4
213.09067	5.3
213.12755	14.7
215.10715	9.5
216.09369	7.3
217.10146	25.1
217.12190	8.0
218.10918	10.7
219.11768	24.1
220.12454	19.4
221.13213	39.3
223.11191	9.9
223.14821	13.2
224.47017	4.2
225.12775	11.4
227.10710	6.4
229.10143	13.1
229.12271	18.4
230.10860	6.4
231.11844	30.4
231.13773	6.1
232.12411	28.8
233.09741	4.8
233.13266	26.8
233.15396	10.7
234.14038	9.1
235.11307	6.1
235.14890	28.1
237.12767	14.8
237.16449	8.7
239.10789	5.8
239.14328	7.7
241.12267	7.4
242.10938	5.1
243.11626	18.5
243.13631	20.0
244.12543	21.6
245.09450	4.9
245.13470	26.5
245.15517	7.1
246.10260	6.1
246.14082	26.4
247.11201	8.8
247.14925	38.6
249.12770	14.8
249.16371	15.0
251.10635	4.6
251.14265	13.0
255.11646	10.8
255.13959	5.8
256.12375	8.1
257.13388	9.4
258.14114	12.6
259.11212	8.8
259.14963	26.8
260.11951	6.0
260.15524	15.4
261.12622	11.6
261.16650	33.9
262.13464	5.5
263.10535	4.0
263.14340	15.0
265.12036	4.7
265.15930	8.5
267.13873	9.7
269.13263	10.6
270.13928	5.7
271.10928	4.6
271.14691	14.3
273.12747	13.8
273.16409	14.1
274.17023	5.4
275.14340	11.4
275.17941	16.6
277.15741	8.6
279.17404	6.3
282.14127	4.9
284.15488	8.6
285.12604	3.8
285.16367	8.9
286.13672	7.9
287.14389	8.9
287.17706	6.4
289.16287	18.8
289.19278	8.2
291.14056	5.8
291.17368	8.8
293.15454	7.3
299.14426	5.3
299.17929	9.3
300.11224	5.0
300.14899	5.0
301.12567	4.7
301.15872	21.7
303.14233	6.6
303.17291	30.5
305.15305	5.7
305.19067	5.7
307.16946	10.2
311.13254	4.6
312.15189	5.5
313.15759	6.4
315.13779	5.3
315.17484	11.2
317.15485	7.2
317.18890	32.5
319.17014	11.3
321.15186	5.5
321.18591	22.4
323.16360	5.9
323.20020	7.2
327.17410	9.1
329.15244	13.5
331.16885	13.7
333.14905	5.2
333.18491	7.0
335.16403	9.3
335.20102	10.7
339.19687	6.9
343.16782	15.1
345.18491	16.9
347.16379	34.0
349.17990	24.3
351.19388	9.5
359.16385	6.6
361.17947	71.6
363.15552	9.2
363.19550	17.4
365.17508	31.6
371.16409	10.2
373.17932	9.3
377.21219	21.1
379.19086	34.3
381.20496	5.5
389.17401	50.0
391.18845	7.1
393.16556	6.2
395.22156	5.2
403.19174	7.5
405.20663	7.5
407.18506	43.5
409.19940	8.4
411.21716	9.0
417.16965	10.3
421.20233	45.3
423.21759	6.8
425.19595	5.8
431.18698	6.2
435.17990	15.6
439.21158	36.6
449.19498	13.9
453.18610	4.6
457.22009	9.4
467.20496	20.6
471.19681	6.4
485.22040	8.0
580.79181	4.7
633.26697	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	633.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.5
55.01853	7.5
55.05495	8.8
57.07081	7.1
59.40605	4.0
67.05504	22.5
69.03418	14.7
69.30688	35.5
75.75803	3.4
79.05481	15.9
81.03422	8.2
81.07043	18.2
83.04976	11.6
91.05489	21.8
93.07049	18.3
94.60455	4.3
95.04965	31.9
95.08595	11.6
97.06515	5.6
98.21564	7.9
103.05463	52.6
105.03388	18.2
105.07025	33.1
107.08578	17.3
109.06523	6.3
109.10155	7.9
115.05416	7.1
117.07005	16.6
119.04908	5.6
119.08575	35.9
121.06497	16.9
121.10130	9.1
123.08093	21.0
128.06256	6.5
129.06975	11.3
131.04926	100.0
131.08536	16.1
133.06502	19.8
133.10141	13.4
135.08006	13.6
141.07068	6.4
142.07729	11.9
143.08522	20.3
145.06465	13.4
145.10097	12.8
147.08063	14.8
149.06006	6.9
149.09558	13.1
151.07571	7.5
155.08501	12.7
156.09312	9.1
157.06422	7.2
157.10100	35.6
159.08058	20.0
159.11697	20.2
161.05975	27.0
161.09621	10.6
161.13271	5.2
163.07545	10.5
165.06943	4.6
167.08585	7.7
167.10733	3.9
169.10118	23.9
170.10905	14.6
171.08031	17.1
171.11688	29.8
173.05946	5.4
173.09619	10.8
173.13261	8.6
175.07574	6.2
177.05466	4.6
177.09122	6.1
179.07054	5.2
179.08540	8.0
180.09390	4.9
181.10075	14.0
182.10663	5.3
183.08028	6.1
183.11691	51.1
184.12460	10.7
185.09703	21.4
185.11176	3.6
185.13260	20.0
187.07541	4.4
187.11185	11.9
189.09016	4.3
192.09320	9.1
193.10095	13.9
193.11929	3.9
194.10861	11.4
195.11649	18.5
197.09627	10.6
197.13310	13.0
198.10492	5.0
199.11206	9.9
201.09111	4.4
201.12727	12.0
204.09373	5.7
206.10887	8.8
207.11725	23.9
208.12462	14.3
209.09549	5.5
209.13203	30.0
211.11148	15.1
213.09071	9.5
213.12695	11.4
215.14185	4.7
217.10092	10.9
217.12108	7.3
218.10945	6.4
219.11667	11.1
220.12482	13.8
221.09738	5.4
221.13252	16.5
221.15250	4.2
222.14000	8.6
223.11247	8.6
223.14816	26.1
224.15567	16.5
225.09050	5.7
225.12723	7.9
225.16319	4.3
227.10529	4.7
229.12192	12.7
230.10814	5.8
231.11670	13.8
232.12527	9.3
233.13274	18.2
234.13947	9.2
235.11194	7.1
235.14816	18.9
237.12750	14.6
237.16354	14.2
239.14297	4.8
241.12198	8.6
242.11084	5.7
243.11784	8.3
244.12399	8.7
245.13293	18.0
246.14046	14.6
247.11163	6.0
247.14854	21.2
249.12749	18.0
249.16365	13.9
251.14250	12.2
255.14049	4.8
256.12482	8.2
257.07919	21.0
257.13312	7.1
258.14114	6.7
259.14838	23.1
260.11960	4.0
260.15573	5.3
261.12662	7.9
261.16351	14.9
262.13428	6.4
263.14297	13.2
263.17752	5.2
264.15045	4.8
265.15820	12.2
271.14755	6.7
272.15540	4.5
273.12668	7.3
273.16354	7.2
274.13303	4.6
275.14337	10.8
275.17856	11.6
277.15860	13.2
279.13654	4.9
279.17450	12.2
281.15222	7.0
285.16119	4.4
287.14313	8.1
287.17789	5.5
289.12112	4.3
289.15717	14.3
291.13815	6.7
291.17371	5.1
293.15341	7.5
295.16904	7.7
301.10977	7.6
301.15866	8.2
303.13873	6.6
303.17334	11.9
305.15564	8.5
305.18747	4.4
307.16776	18.9
315.13547	4.5
315.17053	5.8
317.15347	8.3
317.18710	4.6
319.16940	17.7
321.18329	12.5
323.16367	10.1
333.18582	9.1
335.16113	4.7
337.17850	16.1
339.19574	5.8
345.18359	5.5
347.16391	10.3
349.18008	5.9
361.17935	17.0
363.15656	5.6
363.19763	8.9
365.17429	41.5
367.15323	31.8
367.19189	7.5
373.17856	4.2
375.15765	7.8
379.19067	59.6
381.16840	14.0
383.18344	5.5
389.17383	17.1
393.16772	10.4
397.19946	4.6
403.17429	13.2
407.18506	76.6
417.16760	10.2
421.20276	5.2
425.19629	67.2
433.19427	4.8
435.18240	22.2
436.27649	7.6
439.21088	8.9
441.18976	8.1
453.19095	13.5
463.18088	5.6
467.20563	25.8
471.20078	13.9
482.17981	4.2
485.21539	15.1
533.27173	6.0
547.23065	4.8
583.24713	6.1
601.26343	5.1
633.28412	27.4
633.38733	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2904
Annotation	16alpha-Acetoxyasclepin
Peak:m/z	Relative Intensity
50.29922	3.9
53.03940	5.0
54.18902	2.7
55.01878	4.3
55.05270	4.4
55.05514	67.2
57.03442	3.4
67.05492	10.1
67.68430	3.1
69.03423	10.1
69.07088	7.9
71.01367	3.5
79.05496	17.4
81.07066	23.6
83.04485	6.5
83.04983	100.0
85.02884	9.2
91.05495	25.9
93.07044	19.2
95.04975	11.5
95.08596	21.7
97.06535	8.1
103.05460	7.5
105.07024	31.5
107.04907	4.2
107.08576	24.1
109.06517	14.1
109.10150	5.7
111.04466	3.2
115.05427	5.3
117.07049	10.1
119.04978	5.8
119.08587	37.4
121.06502	13.4
121.10148	12.7
123.04469	5.2
123.08078	7.0
127.03959	3.9
128.06239	6.7
129.07016	10.6
131.04944	6.0
131.08594	22.9
133.06528	22.3
133.10150	28.6
135.08029	12.9
137.06001	3.6
141.06992	5.5
142.07771	8.7
143.08598	17.9
145.06479	12.5
145.10139	19.2
147.08008	27.0
147.11702	6.8
149.05957	8.8
149.09621	13.3
151.07553	6.6
153.07018	4.7
155.08533	12.5
156.09346	14.4
157.10120	38.8
159.08014	16.6
159.11713	16.7
161.05988	13.7
161.09654	18.0
163.07585	6.5
163.11133	3.8
165.05536	3.0
165.09116	3.4
166.08707	4.1
167.07034	17.2
167.08435	7.5
168.09312	5.4
169.10121	29.4
170.10884	15.9
171.08032	12.6
171.11684	57.1
173.09624	25.1
173.13277	10.2
175.07559	10.0
175.11177	6.7
177.05463	5.7
177.09131	5.5
179.07063	4.3
179.08524	7.5
179.10628	3.9
180.09389	4.4
181.10094	18.5
182.10934	6.3
183.08064	5.3
183.11700	42.8
184.12422	4.2
185.09621	11.7
185.13280	32.9
187.07549	6.0
187.11218	16.9
187.14842	3.8
188.03450	4.5
189.05383	3.8
189.09167	4.6
191.08653	3.7
191.10602	7.1
192.09367	4.4
193.08571	7.0
193.10143	13.7
194.10912	7.1
195.08105	4.4
195.11681	18.9
196.12508	3.4
197.09605	10.3
197.13324	18.1
198.10477	5.4
199.07460	3.9
199.11166	29.7
199.14861	3.7
200.11858	4.0
201.09172	7.1
201.12694	7.1
203.10689	3.9
205.10167	7.2
207.11778	18.7
208.12469	7.6
209.09612	8.0
209.13300	21.2
211.11215	12.9
211.14841	7.3
213.09088	8.7
213.12778	29.6
215.10626	6.7
215.14352	6.9
217.08501	7.7
217.10312	5.5
217.12129	7.4
218.10985	5.2
219.11690	11.6
220.12454	6.2
221.09549	7.7
221.13292	13.4
221.15497	2.9
222.14040	3.5
223.11224	9.7
223.14809	20.4
225.09052	4.9
225.12712	6.5
229.12245	13.0
230.10904	5.8
231.11642	14.1
231.13849	20.2
233.09651	4.7
233.13242	13.9
234.14113	5.8
235.11241	7.7
235.14771	15.4
236.11937	5.5
237.12718	8.6
241.12256	12.0
243.11797	5.8
243.13925	6.8
244.12579	9.1
245.09564	4.8
245.13284	13.6
246.10419	4.6
246.14023	6.4
247.11133	5.4
247.15024	16.6
248.12012	3.3
248.15515	3.9
249.12686	6.1
249.16522	16.0
251.10776	3.3
251.14288	8.8
251.18007	7.8
253.12305	4.9
255.13916	3.9
257.13422	5.2
258.14056	3.9
259.11026	5.5
259.12949	18.6
260.15506	8.9
261.12653	6.7
261.16531	17.2
262.13531	5.4
263.14194	7.4
263.17990	7.8
265.16016	5.2
265.19437	12.2
269.13245	7.5
271.14706	5.5
273.12659	6.9
273.16379	6.4
275.14444	6.5
275.17966	9.9
276.15228	3.6
277.14258	5.9
277.15942	3.7
277.76004	4.0
279.13791	4.6
279.17484	7.1
281.15485	4.6
283.11362	3.8
285.12750	3.8
285.16248	5.4
287.14307	7.9
288.14926	4.9
289.15869	11.0
290.16553	4.8
291.13989	6.2
291.17477	10.2
293.15524	5.3
293.19034	9.8
297.12469	3.7
301.12106	6.0
301.15665	5.6
302.61942	3.3
303.13782	7.3
303.17374	17.0
305.15335	6.9
307.16992	7.7
309.18481	5.5
311.20074	4.0
313.15851	6.4
315.13812	4.2
317.15286	6.3
319.16858	11.4
320.17761	9.2
321.18497	23.9
325.21606	10.0
331.16864	9.8
335.16406	4.6
337.18079	6.9
338.18661	5.5
339.19550	14.1
341.11371	6.5
341.15189	3.7
345.18497	9.3
347.16403	8.2
349.17969	14.4
355.16702	4.4
357.20749	7.3
359.16425	8.4
360.17209	4.7
361.18039	6.3
363.19473	8.3
365.17511	4.0
367.19046	7.7
373.17999	17.8
377.17349	23.6
379.19052	7.1
381.20706	5.7
389.17316	5.0
391.18961	26.4
395.18506	17.0
397.20078	11.7
399.21765	5.0
401.17535	13.5
407.18512	8.3
409.20081	18.8
413.19669	6.0
419.18475	29.8
427.21265	10.7
437.19595	62.9
455.20645	48.5
459.97491	3.2
469.25800	13.6
473.21667	18.1
497.21552	14.3
515.22589	10.7
533.23682	3.5
615.27563	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2907
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
53.03940	6.6
53.06331	3.9
55.01869	5.4
55.05517	62.7
65.03931	4.3
67.05493	12.2
69.03429	14.0
69.07068	7.9
71.55368	5.5
79.05493	25.7
81.07058	35.1
83.04480	6.2
83.04987	100.0
85.02884	5.1
87.99100	4.3
88.82621	4.2
91.05477	24.1
93.07066	27.7
95.04957	14.6
95.08611	30.8
97.06532	4.9
103.05450	18.0
105.03407	9.8
105.07040	53.3
107.04967	7.8
107.08571	21.4
109.06510	16.9
109.10136	5.1
115.05470	5.7
117.07008	13.6
119.04934	4.8
119.08595	37.1
121.06492	10.1
121.10130	12.1
123.08086	7.6
128.06216	8.7
129.07005	12.6
131.04924	30.8
131.08577	27.7
133.06488	19.8
133.10143	35.6
135.04378	4.3
135.08049	17.2
136.14018	3.8
137.05952	7.5
141.06960	7.3
142.07828	5.3
143.08586	34.9
145.06496	10.8
145.10129	28.0
147.08038	19.9
149.05991	6.8
149.09630	14.4
151.07574	6.0
153.06940	6.1
154.07674	4.8
155.08551	14.0
156.09348	19.7
157.10133	47.2
159.08029	17.5
159.11658	21.6
161.06000	28.2
161.09685	22.0
161.37996	3.8
163.07564	8.9
165.06999	5.3
165.09151	6.7
166.07767	3.9
167.08577	8.0
168.09337	8.3
169.10184	24.2
170.10887	14.5
171.08023	16.1
171.11699	80.3
172.08717	4.4
173.05974	6.7
173.09619	21.3
173.13275	6.3
175.07523	13.7
175.11150	10.6
177.09090	10.9
179.07130	7.5
179.08571	10.1
180.09369	6.7
181.10120	12.8
183.08040	8.1
183.11713	57.7
185.09616	19.2
185.13289	42.7
187.07530	5.6
187.11189	17.0
189.05463	7.8
189.09032	9.8
189.12712	4.4
191.10661	13.1
192.09346	5.1
193.10197	18.8
193.11929	3.4
194.10915	4.5
195.11664	18.4
196.12500	7.5
197.09601	15.6
197.13342	19.9
198.10419	7.3
199.11177	20.8
200.11971	7.1
201.09131	6.7
201.12764	10.7
203.10658	6.4
205.10155	7.6
206.10957	11.7
207.11697	18.4
208.12471	6.3
209.09734	6.5
209.13200	9.0
211.11189	14.0
211.14839	5.1
213.09190	4.6
213.12724	42.8
215.10660	13.1
215.14333	5.4
216.09488	4.2
217.08452	8.4
217.10295	6.5
217.12053	7.4
218.10965	5.7
219.11763	10.4
220.12399	11.0
221.09773	4.6
221.13408	19.6
222.14005	5.3
223.11182	10.3
223.14822	13.4
224.12024	4.5
225.12755	9.2
229.12206	22.3
230.11040	7.4
231.11743	9.7
231.13786	31.8
232.12495	5.8
233.09595	5.3
233.13295	20.2
234.06346	4.4
234.13943	8.1
235.11179	12.4
235.14867	23.0
237.12772	10.7
237.16440	6.9
239.10806	6.0
239.14320	6.8
241.12233	10.4
243.11768	5.7
243.13765	8.2
244.12556	6.2
245.09682	4.8
245.13223	15.9
246.13927	9.9
247.11119	9.3
247.15027	19.7
248.15710	5.4
249.12810	10.5
249.16594	18.9
250.13329	5.0
251.14429	10.6
251.17882	7.4
255.11716	6.9
257.13504	6.6
258.14102	9.4
259.12845	18.1
260.11850	8.2
260.15631	8.1
261.12930	6.0
261.16376	22.6
263.14188	10.8
263.17651	6.3
265.12241	6.9
265.19421	4.2
271.14731	6.5
272.15616	4.8
273.12640	7.7
273.16397	9.0
275.14505	8.5
275.18021	11.3
276.15271	5.8
277.11118	4.4
277.14420	4.7
277.16043	5.9
279.13913	6.7
279.17453	11.1
281.15372	4.2
283.10913	5.0
285.12860	7.7
285.16174	7.1
287.14249	8.5
289.12518	3.9
289.15942	14.9
291.17438	6.9
293.18964	7.5
298.13458	5.0
299.14288	5.9
301.15729	10.5
302.16702	6.5
303.13950	3.7
303.17456	15.1
307.16885	6.5
309.18512	5.5
311.20093	10.8
313.15799	8.5
315.17343	5.1
317.11166	4.6
317.15283	5.4
319.16803	12.5
320.17581	4.2
321.18414	20.3
327.17395	7.9
331.16681	19.1
333.14920	4.9
333.18671	6.3
337.17834	11.2
339.19565	23.6
341.15317	5.4
343.16946	6.9
345.14670	5.1
345.18500	12.4
347.16293	7.6
349.18109	19.2
355.16821	6.7
357.20734	13.5
359.16354	17.0
361.17694	6.6
363.19473	12.7
367.18930	9.4
373.17899	24.4
377.17468	20.7
379.19199	7.4
391.19055	24.2
391.23413	4.0
395.18375	18.2
397.20245	6.4
401.17374	19.6
405.03427	3.8
405.20447	4.4
409.20056	18.5
419.18439	27.2
427.21280	7.7
433.20377	4.8
437.19669	47.4
451.21085	9.5
455.20706	28.7
469.22061	10.1
473.21527	9.9
479.20163	4.8
497.21729	11.8
515.22699	9.5
615.28717	4.6
633.26489	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	633.2896
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
51.73173	6.1
53.03933	12.5
55.01863	6.4
55.05516	49.9
67.05513	18.1
69.03432	7.7
69.07049	8.9
70.99368	6.9
70.99714	10.5
71.05006	7.4
76.18686	5.8
79.05486	28.4
81.03442	8.2
81.07040	20.5
83.04986	86.7
91.05488	47.1
93.07060	38.1
95.04989	36.3
95.08607	18.7
97.06519	10.9
103.05466	38.6
105.03374	52.4
105.07042	86.9
107.04965	17.5
107.08594	27.7
109.06519	29.4
111.04470	8.2
115.05486	18.6
117.07001	24.8
119.04979	10.0
119.08585	74.5
121.06512	13.3
121.10185	19.8
123.04455	6.9
123.08050	10.8
128.06206	14.2
129.07007	16.6
131.04944	58.9
131.08585	42.7
133.06500	44.3
133.10139	42.4
135.08069	23.5
137.06006	8.7
139.03944	9.6
141.06932	7.5
142.07758	27.7
143.08606	33.5
145.06525	11.3
145.10109	36.4
147.08087	31.0
149.09612	30.0
151.07402	7.2
153.06992	7.7
154.07716	8.8
155.08549	23.4
156.09355	24.0
157.06464	7.7
157.10152	79.5
158.10858	10.6
159.08061	41.4
159.11737	45.7
161.05981	31.2
161.09613	25.8
163.07552	23.2
165.06981	14.5
165.09126	11.6
167.08507	15.5
169.10139	44.6
170.10881	23.6
171.08054	22.8
171.11711	92.0
173.05966	13.5
173.09660	29.3
173.13310	17.1
175.07610	13.1
177.05434	6.9
177.09142	32.0
179.07077	10.9
179.08571	19.2
179.10594	6.9
181.10135	25.3
182.10617	6.9
183.08002	13.1
183.11716	100.0
184.08788	6.9
184.12291	10.4
185.09648	27.1
185.13307	47.8
187.07590	10.3
187.11194	21.1
189.05513	10.1
193.10136	18.2
193.12233	8.6
194.10880	12.6
195.11676	23.2
196.08809	10.1
197.09679	18.5
197.13275	17.9
198.10365	8.5
199.07538	9.7
199.11176	41.6
201.09070	17.0
201.12746	23.3
205.10271	12.1
205.11996	7.4
206.10913	14.9
207.11713	22.8
208.12317	10.8
209.09595	11.1
209.13289	16.9
211.11194	24.6
213.09129	12.8
213.12759	47.4
215.10663	11.7
215.14238	7.4
217.10289	11.4
217.12254	11.0
218.10828	7.4
219.11771	15.3
220.12453	15.7
221.13239	27.5
223.11211	18.5
223.14867	19.7
225.12743	26.9
227.10733	12.0
229.10280	11.8
229.12271	21.0
231.11725	19.3
231.13889	27.8
232.12398	11.4
233.13231	19.3
233.15385	10.3
234.14011	10.8
235.11258	8.3
235.14828	17.9
237.12726	10.0
241.12309	17.0
242.10802	7.2
243.11858	13.9
243.13837	23.6
244.12405	15.4
245.13280	23.4
245.15497	9.9
246.14075	7.2
247.11273	10.4
247.14879	20.1
248.15434	7.2
249.12778	14.4
249.16537	8.8
251.14247	16.3
255.13947	7.8
257.13214	22.9
258.14078	13.5
259.13177	17.2
260.11923	8.6
260.15451	9.6
265.15762	9.5
270.13977	8.7
271.11041	6.8
272.15356	7.7
273.12494	11.2
273.16525	10.9
276.14755	7.2
279.13812	11.7
285.12607	11.4
285.16406	7.6
287.14246	9.6
289.15775	9.0
293.15335	6.5
299.14218	7.8
299.17752	9.9
300.14792	9.3
301.15796	19.0
303.17511	9.6
313.15652	11.7
315.17258	17.9
317.18759	7.9
319.16977	11.2
327.17487	8.5
328.14487	7.5
329.15369	21.0
331.16757	18.1
333.18423	19.0
335.16391	11.9
343.16907	27.1
345.18542	13.4
347.16342	43.4
347.20090	10.2
349.14212	16.3
349.17841	14.6
359.16608	10.4
360.16434	7.4
361.18030	51.0
363.19638	15.4
365.17212	11.5
371.16330	19.0
373.13934	7.6
373.18094	30.2
375.19598	13.7
377.17200	11.0
379.18982	17.3
389.17447	47.0
391.19083	24.7
393.20618	17.8
399.21600	7.7
401.17505	12.4
403.18930	18.1
407.18500	36.5
409.20193	18.4
419.18475	29.2
420.18695	7.4
421.19958	30.2
427.21701	7.6
431.18384	9.3
437.19623	49.6
439.21051	23.3
449.19495	26.6
451.21136	10.5
455.20795	36.8
467.20465	23.2
479.20590	8.7
485.21771	37.2
497.21371	15.1
515.22723	24.2
525.77692	6.7
537.24670	9.0
545.24152	10.5
574.15997	7.4
633.26770	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73173	6.1
53.03933	12.5
55.01863	6.4
55.05516	49.9
67.05513	18.1
69.03432	7.7
69.07049	8.9
70.99368	6.9
70.99714	10.5
71.05006	7.4
76.18686	5.8
79.05486	28.4
81.03442	8.2
81.07040	20.5
83.04986	86.7
91.05488	47.1
93.07060	38.1
95.04989	36.3
95.08607	18.7
97.06519	10.9
103.05466	38.6
105.03374	52.4
105.07042	86.9
107.04965	17.5
107.08594	27.7
109.06519	29.4
111.04470	8.2
115.05486	18.6
117.07001	24.8
119.04979	10.0
119.08585	74.5
121.06512	13.3
121.10185	19.8
123.04455	6.9
123.08050	10.8
128.06206	14.2
129.07007	16.6
131.04944	58.9
131.08585	42.7
133.06500	44.3
133.10139	42.4
135.08069	23.5
137.06006	8.7
139.03944	9.6
141.06932	7.5
142.07758	27.7
143.08606	33.5
145.06525	11.3
145.10109	36.4
147.08087	31.0
149.09612	30.0
151.07402	7.2
153.06992	7.7
154.07716	8.8
155.08549	23.4
156.09355	24.0
157.06464	7.7
157.10152	79.5
158.10858	10.6
159.08061	41.4
159.11737	45.7
161.05981	31.2
161.09613	25.8
163.07552	23.2
165.06981	14.5
165.09126	11.6
167.08507	15.5
169.10139	44.6
170.10881	23.6
171.08054	22.8
171.11711	92.0
173.05966	13.5
173.09660	29.3
173.13310	17.1
175.07610	13.1
177.05434	6.9
177.09142	32.0
179.07077	10.9
179.08571	19.2
179.10594	6.9
181.10135	25.3
182.10617	6.9
183.08002	13.1
183.11716	100.0
184.08788	6.9
184.12291	10.4
185.09648	27.1
185.13307	47.8
187.07590	10.3
187.11194	21.1
189.05513	10.1
193.10136	18.2
193.12233	8.6
194.10880	12.6
195.11676	23.2
196.08809	10.1
197.09679	18.5
197.13275	17.9
198.10365	8.5
199.07538	9.7
199.11176	41.6
201.09070	17.0
201.12746	23.3
205.10271	12.1
205.11996	7.4
206.10913	14.9
207.11713	22.8
208.12317	10.8
209.09595	11.1
209.13289	16.9
211.11194	24.6
213.09129	12.8
213.12759	47.4
215.10663	11.7
215.14238	7.4
217.10289	11.4
217.12254	11.0
218.10828	7.4
219.11771	15.3
220.12453	15.7
221.13239	27.5
223.11211	18.5
223.14867	19.7
225.12743	26.9
227.10733	12.0
229.10280	11.8
229.12271	21.0
231.11725	19.3
231.13889	27.8
232.12398	11.4
233.13231	19.3
233.15385	10.3
234.14011	10.8
235.11258	8.3
235.14828	17.9
237.12726	10.0
241.12309	17.0
242.10802	7.2
243.11858	13.9
243.13837	23.6
244.12405	15.4
245.13280	23.4
245.15497	9.9
246.14075	7.2
247.11273	10.4
247.14879	20.1
248.15434	7.2
249.12778	14.4
249.16537	8.8
251.14247	16.3
255.13947	7.8
257.13214	22.9
258.14078	13.5
259.13177	17.2
260.11923	8.6
260.15451	9.6
265.15762	9.5
270.13977	8.7
271.11041	6.8
272.15356	7.7
273.12494	11.2
273.16525	10.9
276.14755	7.2
279.13812	11.7
285.12607	11.4
285.16406	7.6
287.14246	9.6
289.15775	9.0
293.15335	6.5
299.14218	7.8
299.17752	9.9
300.14792	9.3
301.15796	19.0
303.17511	9.6
313.15652	11.7
315.17258	17.9
317.18759	7.9
319.16977	11.2
327.17487	8.5
328.14487	7.5
329.15369	21.0
331.16757	18.1
333.18423	19.0
335.16391	11.9
343.16907	27.1
345.18542	13.4
347.16342	43.4
347.20090	10.2
349.14212	16.3
349.17841	14.6
359.16608	10.4
360.16434	7.4
361.18030	51.0
363.19638	15.4
365.17212	11.5
371.16330	19.0
373.13934	7.6
373.18094	30.2
375.19598	13.7
377.17200	11.0
379.18982	17.3
389.17447	47.0
391.19083	24.7
393.20618	17.8
399.21600	7.7
401.17505	12.4
403.18930	18.1
407.18500	36.5
409.20193	18.4
419.18475	29.2
420.18695	7.4
421.19958	30.2
427.21701	7.6
431.18384	9.3
437.19623	49.6
439.21051	23.3
449.19495	26.6
451.21136	10.5
455.20795	36.8
467.20465	23.2
479.20590	8.7
485.21771	37.2
497.21371	15.1
515.22723	24.2
525.77692	6.7
537.24670	9.0
545.24152	10.5
574.15997	7.4
633.26770	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03938	2.0
55.01861	0.7
55.05494	0.4
67.05522	1.1
69.03414	0.6
70.79704	1.1
70.80047	0.5
73.54307	0.4
75.83244	0.5
77.03903	0.8
79.05489	3.2
81.03375	0.6
81.07043	1.7
83.04986	0.8
91.05484	4.7
93.07057	3.7
95.04955	3.8
95.08599	2.1
97.06512	0.7
102.04652	0.4
103.05469	44.4
104.05781	0.5
105.03401	1.2
105.04527	1.2
105.07036	5.6
107.04950	1.3
107.08592	3.5
109.06513	1.1
109.10157	0.8
115.05486	1.0
116.12983	0.4
116.34747	0.5
117.07002	2.8
117.10763	0.5
119.08585	6.6
121.06487	1.7
121.10153	1.5
123.08099	0.8
128.06218	0.9
129.07013	2.1
131.04930	100.0
131.08548	3.3
132.05273	1.5
133.06490	2.1
133.10129	3.1
135.08066	2.2
137.09550	0.5
141.07002	0.8
142.07761	2.0
143.08575	2.9
145.06470	1.5
145.10120	2.9
147.08041	2.1
149.05986	1.3
149.09627	6.2
151.07631	1.1
154.07738	0.6
155.08612	2.2
156.09344	2.5
157.10138	11.6
159.08058	2.4
159.11688	5.8
161.05983	1.3
161.09651	1.4
163.07509	1.5
165.07021	0.5
167.08534	0.7
168.09372	1.0
169.10158	5.2
170.10925	1.6
171.08165	1.1
171.11676	9.3
173.05960	0.7
173.09598	2.0
173.13263	1.9
175.07581	0.9
175.11214	0.6
177.09131	2.3
179.07083	0.9
179.08604	0.8
180.09329	0.6
181.10123	1.7
183.08086	0.8
183.11691	6.9
185.09630	1.4
185.13239	4.1
186.10518	0.6
187.07610	0.9
187.11183	1.9
189.09108	0.6
191.07085	1.1
191.10716	0.6
193.08569	0.5
193.10133	1.3
193.12230	0.5
194.10893	0.7
195.11703	1.8
197.09631	1.3
197.13266	1.9
199.11192	1.8
199.14781	0.5
201.09036	0.9
201.12782	1.5
203.10785	0.5
205.10223	0.6
206.10860	0.7
207.06566	0.7
207.11696	2.4
209.09726	0.7
209.13327	1.6
211.11246	2.0
213.12851	1.4
215.10638	1.1
217.10358	0.8
217.12309	1.6
218.10992	0.6
219.11700	1.4
220.12418	0.8
221.13321	2.3
222.14072	0.6
223.11270	0.9
223.14917	1.2
225.09032	0.8
225.12729	0.8
229.12263	2.1
230.10974	1.2
231.11682	1.4
231.13881	1.2
232.12437	1.1
233.13272	1.7
233.15454	1.5
234.14087	1.2
235.11159	0.6
235.14896	2.0
237.12799	0.7
237.16351	1.0
239.10831	0.5
243.11769	1.0
243.13907	1.5
244.12505	1.8
245.13275	1.8
245.15462	1.0
246.14124	1.2
247.14886	3.2
248.15569	0.6
249.12769	0.6
249.16481	1.5
251.10756	0.4
251.14384	0.8
251.17804	0.7
255.13924	0.5
257.07880	0.5
257.13373	0.5
258.13962	0.5
259.14862	1.7
260.11954	0.5
260.15677	0.9
261.12653	0.7
261.16443	1.7
263.14221	0.8
265.15961	0.6
271.14975	0.7
273.16534	1.0
274.13660	0.6
275.14246	1.3
275.17645	0.5
277.15979	0.8
279.17459	0.5
283.14716	0.6
285.16235	0.8
287.14417	1.0
287.17871	0.6
288.15262	0.6
289.15976	1.1
291.17490	1.2
299.14218	0.7
299.17825	0.7
301.15906	1.4
303.17401	1.4
305.15442	0.6
305.18988	0.8
307.16971	1.6
315.17465	0.8
317.15396	0.6
317.18893	0.7
319.16919	1.4
321.18454	1.6
323.20139	0.5
329.15399	1.3
331.16986	1.3
333.18384	0.7
335.16483	0.9
337.18073	1.1
343.16901	1.1
345.18445	0.8
347.16312	2.7
349.17957	2.4
355.16818	0.6
359.16238	0.6
361.17908	2.3
363.19818	1.1
365.17407	2.7
367.19113	1.0
371.16312	0.5
375.15698	0.5
377.21115	0.6
379.18933	2.9
385.20044	0.7
389.17471	2.0
391.18945	1.4
402.54144	0.5
405.20819	0.8
407.18448	3.2
409.20123	1.1
417.16882	1.1
421.20294	2.3
423.21942	0.8
425.19443	0.7
435.18176	0.9
437.19672	1.0
439.21164	5.5
441.22858	0.9
449.19650	1.2
457.22223	0.8
467.20288	3.2
481.18225	0.6
485.21628	2.0
533.25549	0.8
615.26013	0.7
633.27881	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.05515	24.0
58.79007	1.7
67.05500	11.9
69.03440	2.9
69.07064	4.6
69.35483	10.0
69.35905	4.9
79.05498	8.8
81.03407	2.0
81.07050	10.1
83.04982	37.5
85.02904	4.1
91.05477	12.3
93.07033	9.3
94.06557	12.6
95.04967	6.6
95.08615	8.4
97.06494	2.5
98.21408	4.0
103.05432	3.7
105.07027	10.8
107.04948	6.2
107.08585	7.8
109.06511	6.9
109.10125	3.3
117.06975	2.9
119.07351	2.4
119.08610	12.8
120.04511	2.4
120.08097	3.9
121.06503	5.6
121.10149	6.9
122.06021	3.6
123.04469	2.4
123.08041	3.4
124.07595	7.6
127.03913	1.9
128.06215	2.0
129.06989	2.3
131.04915	5.8
131.08549	7.4
133.06497	5.0
133.10164	10.4
135.04401	1.8
135.08075	5.8
137.06013	2.2
138.05479	3.0
142.07819	2.5
143.08559	8.9
145.06493	3.3
145.10101	10.2
146.05945	1.8
147.06900	2.2
147.08020	8.4
147.11713	2.2
148.04005	2.8
149.06012	4.0
149.09607	5.6
150.05501	24.3
151.07465	1.9
152.07106	9.4
154.07729	2.2
155.08534	4.3
156.09335	4.6
157.10095	11.3
159.08035	6.9
159.11679	4.8
161.05981	4.8
161.09642	6.7
163.07574	2.0
164.07079	3.9
165.07021	3.1
165.09120	2.9
166.08615	7.1
167.07175	2.0
168.06583	23.7
169.06464	1.9
169.10135	8.0
170.10977	2.7
171.08008	4.1
171.11703	20.0
173.09671	8.5
173.13301	2.3
175.07584	4.4
175.11186	2.8
177.09171	2.9
179.07086	2.9
179.08615	1.8
179.10645	2.9
180.06544	6.5
181.10182	4.4
182.04544	2.6
182.10959	2.3
183.09219	3.3
183.11707	13.6
184.09970	2.7
185.09636	4.3
185.13254	12.5
187.11179	5.4
189.09126	2.2
189.12732	2.3
191.10570	2.0
192.06599	6.8
193.07260	2.4
193.10188	3.3
194.08076	4.6
195.11696	5.3
196.08925	1.7
197.10915	9.9
197.13234	6.2
199.08846	2.2
199.11171	7.8
201.12810	4.1
205.10104	2.9
206.10953	2.3
207.11693	6.6
209.09576	2.1
209.13245	6.3
210.07629	7.7
211.08685	9.3
211.11188	5.3
212.09399	8.2
213.10219	6.0
213.12750	11.9
217.12164	2.1
221.13242	4.5
223.08681	2.0
223.11290	2.2
223.14830	3.1
224.09364	2.6
225.10294	16.9
226.10983	6.8
227.08350	3.2
227.11893	16.3
229.12224	4.1
231.11858	3.3
231.13826	8.8
232.12590	3.4
233.13402	2.6
234.14032	2.2
235.14841	5.8
237.10355	2.1
237.12604	3.3
239.08144	9.7
240.06587	2.8
240.08934	2.5
241.09747	10.2
241.12151	3.8
242.10356	10.0
243.11557	12.7
243.13757	3.6
245.13121	5.5
246.14168	2.9
247.14830	5.8
249.12735	3.4
249.16389	5.2
251.10677	1.8
251.14378	2.3
251.18007	1.9
252.08803	2.2
253.09750	12.7
253.12114	2.4
254.10640	5.4
255.11339	17.8
256.12338	2.7
257.12964	6.6
259.13702	7.4
260.15457	2.2
261.12784	2.1
261.16364	6.7
263.14340	2.8
263.17984	2.3
267.11285	3.1
269.09375	4.3
269.12894	5.0
270.09924	3.5
271.10733	11.3
271.14749	2.2
272.11893	2.6
273.12479	7.5
273.16473	3.2
275.14453	2.7
275.17816	3.0
279.17496	3.2
281.09149	5.6
283.10873	8.0
284.11810	3.8
285.12372	27.5
287.11072	2.5
287.13928	14.2
288.14929	2.6
289.15796	3.8
291.17416	3.7
293.09067	2.4
293.15201	1.9
293.18811	3.6
295.10770	2.9
297.09039	1.9
297.12320	8.6
298.09528	13.4
298.12976	2.7
299.10315	17.0
300.11096	4.9
301.11877	13.9
301.15433	3.1
302.12997	2.9
302.16501	2.3
303.13553	3.8
303.17404	5.1
311.10333	11.6
311.20154	3.1
313.11853	100.0
313.15451	4.3
315.13406	96.1
316.14618	2.7
317.15143	4.5
319.16916	3.1
320.17392	2.8
321.18484	6.8
327.13351	2.2
328.14319	3.5
331.13129	4.1
331.16855	5.7
337.18030	3.9
339.19595	7.3
344.13782	2.5
345.14670	3.3
345.18469	1.9
349.18268	4.2
355.11713	2.4
357.20828	3.5
363.19470	3.5
367.11777	4.7
368.74966	1.9
371.12604	3.0
373.17978	4.5
377.17480	7.0
381.20294	2.3
387.15738	2.0
391.19049	9.7
395.18546	7.8
397.19974	3.2
401.17352	5.0
409.20053	5.8
419.18524	12.2
425.19858	2.2
430.15109	2.4
434.16907	3.3
437.19574	18.5
446.17328	3.6
448.19012	2.7
449.16846	3.3
451.21158	2.3
455.20563	14.8
462.16690	3.4
464.18179	9.6
466.19736	10.3
473.21780	5.8
479.20728	2.7
490.15894	18.7
492.17776	18.6
494.19180	5.5
497.21722	3.6
510.18948	11.1
511.99893	2.0
515.22742	5.3
587.25024	3.4
597.23529	5.4
598.21289	2.2
615.24390	29.2
633.34528	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	632.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01068	1.8
55.01870	5.7
55.05512	29.1
57.07073	3.6
58.06601	61.0
60.04517	8.2
62.06068	2.4
65.03932	2.3
67.05496	14.2
69.03432	15.7
69.07072	8.0
69.22275	13.9
69.22681	5.9
73.96357	1.9
74.87610	1.9
79.05494	11.5
81.03415	3.4
81.07066	12.5
83.04485	3.9
83.04982	72.1
83.08626	3.2
91.05489	21.2
93.07040	18.0
95.04972	8.3
95.08609	37.1
98.21458	4.4
100.07612	24.6
100.39014	2.1
103.05485	6.4
105.07053	20.3
107.05001	2.7
107.08607	15.3
109.06510	3.6
109.10180	9.8
115.05437	3.1
115.40103	2.0
115.78493	1.9
117.07035	10.2
119.08591	30.6
121.10166	11.6
123.08075	32.7
123.11726	2.5
128.06223	8.0
129.07024	11.7
130.07811	3.0
131.04919	11.9
131.08572	18.8
133.10146	24.8
135.08057	4.0
135.11700	8.5
139.07567	2.2
140.99767	2.2
142.07831	6.2
143.08563	26.6
145.06482	6.6
145.10124	24.5
147.08044	34.5
147.11711	5.8
149.09656	6.0
155.08589	7.7
156.09346	7.9
157.10138	32.8
159.08112	12.9
159.11682	15.8
161.09622	18.4
161.13234	3.2
163.07596	6.7
163.11171	5.5
167.08601	4.3
169.10107	10.6
170.10907	7.4
171.08066	6.2
171.11681	29.7
173.06009	2.7
173.09622	10.0
173.13277	13.6
175.07555	4.8
175.14893	3.1
179.08597	4.5
180.09477	2.4
181.10081	10.7
182.10947	3.3
183.08006	2.5
183.11707	26.1
184.12402	2.9
185.09615	4.3
185.13251	31.2
187.11253	4.5
187.14815	5.3
189.16428	2.7
191.10707	3.0
193.10162	6.2
194.10931	3.6
195.11732	11.2
196.12540	2.6
197.09660	2.8
197.13237	14.1
199.11252	9.9
199.14865	10.7
201.12633	3.0
201.16423	6.9
203.14352	2.1
206.10909	3.7
207.11710	8.5
209.09605	2.6
209.13184	12.4
211.14818	6.0
213.12744	18.9
213.16412	4.1
217.15939	3.3
218.10988	2.5
221.13255	6.9
223.11255	5.0
223.14853	9.1
225.16412	6.5
227.17897	2.1
229.12248	4.7
231.13773	4.6
232.12360	2.7
233.13387	2.8
235.14867	6.9
237.12842	2.6
237.16394	10.3
239.18018	6.4
241.12402	4.8
243.11646	2.9
245.15434	9.2
247.15015	2.5
249.16423	6.2
250.17126	2.2
251.14436	2.2
251.17996	8.9
257.13367	3.0
259.13382	8.9
261.12915	2.8
263.17996	10.0
265.19553	4.1
267.21045	3.1
273.14890	7.5
275.18051	2.8
277.19650	3.8
278.20425	5.0
279.21176	9.9
285.12982	2.7
291.15982	9.2
293.19336	5.8
293.22638	60.1
294.23514	4.8
295.24280	3.2
297.12854	3.8
299.14218	3.2
300.15363	2.8
311.14185	3.6
311.23721	9.1
313.15738	2.9
315.17432	3.5
317.19080	3.0
319.24149	4.6
325.61609	2.3
327.17636	4.0
330.37927	2.5
341.19043	5.4
345.18503	4.1
363.26819	42.2
363.56064	2.8
369.17935	2.5
371.25955	3.6
377.21323	2.6
381.27747	16.0
387.19800	9.0
387.30820	2.6
389.21164	4.8
391.22812	3.2
393.19925	2.4
399.29892	2.9
401.21231	6.9
405.20612	6.3
417.31461	16.0
419.22150	19.5
435.32617	42.4
437.23148	19.0
453.33609	3.8
465.22842	4.7
479.24649	5.9
494.36304	60.3
497.25333	10.3
512.37433	29.1
555.36969	30.8
572.39618	14.0
579.29767	4.8
597.30615	13.8
632.41565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.6
55.01866	20.1
55.05261	6.1
55.05508	60.4
56.05844	11.5
58.56381	4.3
60.45582	4.9
66.89369	4.3
67.05516	9.9
68.05821	5.3
69.03418	10.7
69.19115	22.3
69.19540	25.7
79.05479	15.9
81.03429	13.7
81.07018	5.4
83.04985	100.0
84.05306	16.1
86.97688	4.4
91.05501	26.0
91.59267	4.5
93.07029	15.0
95.04969	42.6
95.08579	6.6
96.05278	6.3
98.21542	10.3
103.05424	6.6
105.03365	12.4
105.07026	43.9
106.07360	15.9
107.04958	9.7
107.08573	9.4
109.06506	8.9
115.05444	18.0
117.07025	18.9
119.04891	8.2
119.08566	13.1
120.08941	9.7
121.06522	9.6
123.08067	5.9
128.06218	8.6
129.06996	13.0
131.04913	10.6
131.08553	19.1
133.06525	35.2
133.10123	9.5
134.06828	15.9
135.04425	8.2
135.08052	20.0
136.08455	7.2
137.05951	15.2
141.06993	12.4
142.07727	7.8
143.08505	21.1
144.08968	8.4
145.06505	16.7
145.10098	17.5
146.06773	8.2
147.08078	29.8
148.08374	6.2
149.05975	4.9
149.09575	5.0
151.07558	7.0
151.64284	4.8
153.06943	4.6
154.07784	7.9
155.08437	10.7
156.09291	5.8
157.06541	8.7
157.10071	9.7
158.07230	5.7
158.10623	4.9
159.08086	29.3
159.11653	7.8
160.08430	13.1
161.05994	70.2
161.09628	17.1
162.06313	32.6
163.07541	30.1
164.07916	8.2
167.08517	10.8
168.08826	4.9
169.06464	7.2
169.10117	18.8
170.10699	8.7
171.07970	20.9
171.11620	16.4
172.08646	8.1
173.06018	6.6
173.09476	20.5
174.06216	5.3
174.09964	11.4
175.07561	10.8
177.08951	6.3
179.03641	4.5
179.07022	11.6
179.08487	9.1
180.07182	5.3
181.10043	5.4
182.07259	8.9
183.07942	11.5
183.11684	6.9
184.08530	4.8
185.09627	26.9
185.13188	14.2
186.09946	8.5
187.07532	20.7
187.11133	15.9
188.08252	5.5
188.11516	6.2
194.10732	5.3
195.08113	5.3
196.08513	6.3
197.09616	21.5
198.06551	6.2
198.09998	21.0
199.07518	21.1
199.11206	21.9
200.07938	14.0
200.11539	10.5
201.09085	10.0
202.05862	5.5
202.09549	8.5
205.08504	5.4
208.08519	5.6
208.12209	7.0
209.06053	6.4
209.09665	7.4
211.07527	7.6
212.08063	6.2
213.05258	5.6
213.09099	22.5
213.12685	13.2
214.09477	15.5
215.10625	15.9
216.07336	6.4
216.11064	10.3
217.08589	8.6
220.12332	4.7
223.07663	6.4
223.11145	6.4
225.09151	26.7
226.09486	18.9
228.07408	5.6
229.08536	9.9
229.12175	7.0
231.10103	11.4
236.40666	4.6
238.09552	6.3
239.10709	5.9
240.10994	6.6
241.08574	20.8
242.08946	11.5
243.06548	6.2
243.10139	18.5
244.10413	12.4
246.08571	5.9
254.08641	5.9
255.10043	4.9
257.08093	44.3
257.11502	7.0
258.08435	30.5
259.09665	19.9
259.13464	5.6
260.09946	16.5
263.14124	5.2
277.12094	5.4
285.11230	16.7
286.11554	16.4
301.10904	18.7
302.11118	21.2
303.12378	38.3
304.12585	26.0
313.15628	6.1
317.15143	5.6
319.11676	12.8
320.12219	11.5
332.16956	5.8
336.16992	4.7
344.13565	5.8
376.16092	7.2
386.07074	5.6
386.14655	7.0
401.15988	8.2
402.15970	16.9
404.16003	16.4
405.20499	6.1
419.22159	7.2
420.15268	6.9
421.16519	5.8
422.16757	16.1
432.15176	8.1
434.16788	5.8
435.22284	4.9
437.23340	8.6
440.17599	9.0
446.16855	7.7
450.16290	11.3
452.17868	7.0
463.17450	6.3
464.17828	39.1
468.17386	8.1
470.18900	17.7
481.18423	20.4
482.18906	72.9
497.25272	6.2
499.19373	13.7
500.19940	65.0
540.22998	6.0
546.14807	4.9
546.22162	7.1
564.23077	17.3
582.24274	25.3
597.29889	7.6
600.25146	10.3
614.26465	5.4
632.27509	8.0
649.39752	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	632.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01868	12.9
55.05520	4.2
62.35276	2.3
63.66740	2.2
63.83011	2.3
67.05507	4.7
69.03436	12.0
70.06563	2.3
73.66090	2.5
77.10973	2.3
79.05486	13.0
80.81967	2.4
81.03435	13.8
81.07066	6.1
83.04978	8.4
86.89742	2.4
88.25176	2.5
91.05495	25.4
93.07049	8.4
95.01335	4.4
95.04966	11.1
95.08591	3.2
103.05482	13.6
105.03393	4.5
105.04550	2.4
105.07037	19.3
107.04967	6.2
107.08594	8.2
109.06512	5.3
115.05476	9.4
117.07030	22.8
119.04984	2.8
119.08574	32.9
120.08913	3.3
121.06487	4.7
121.10162	5.2
123.04433	2.7
128.06233	10.0
129.06996	19.3
131.04944	25.0
131.08600	17.1
132.08881	2.8
133.06519	6.3
133.10136	12.9
135.08052	9.7
141.06990	3.9
142.07803	5.4
143.08568	18.1
145.06480	19.7
145.10123	15.7
147.08055	100.0
149.09662	12.8
155.08572	8.4
156.09360	10.9
157.08885	1.7
157.10139	50.7
159.08063	27.0
159.11723	25.9
161.09659	25.7
163.06287	4.6
163.07558	51.3
165.07103	2.7
167.08598	5.8
169.10129	21.3
170.10909	2.8
171.08076	7.4
171.11697	47.5
173.05975	5.4
173.09633	23.8
173.13258	7.2
175.07564	32.9
175.11206	6.0
179.08618	3.7
180.09392	4.3
181.10175	6.3
183.08134	5.5
183.11713	38.0
185.09668	12.3
185.13243	5.2
187.07544	4.2
187.11243	7.6
189.09087	7.6
191.10773	3.6
193.10188	4.8
195.02600	2.5
195.11707	4.8
196.08885	3.0
197.09601	11.2
197.13315	3.3
199.07571	5.1
199.11177	25.8
201.09111	11.2
201.12842	3.1
203.10675	9.3
207.11723	7.4
209.09624	3.5
209.13203	3.1
211.11194	8.8
213.09096	5.0
213.12756	6.3
215.10629	3.7
217.08540	4.8
217.12263	10.1
218.10844	3.0
220.12440	3.5
221.13165	3.4
223.11208	7.2
225.12775	4.2
227.10692	15.9
229.12256	10.3
229.83336	3.6
230.10767	3.5
231.11853	4.9
231.13780	13.9
235.11223	3.5
235.14867	2.9
237.12746	7.6
239.10715	5.1
241.12308	3.4
243.11731	3.8
243.13823	3.2
244.12393	3.0
245.13449	3.1
247.14868	3.0
248.12074	3.0
249.14951	4.4
251.14378	3.9
256.12411	2.8
257.13318	5.9
259.13086	12.4
261.14935	2.7
263.14380	3.6
265.12479	3.7
271.11255	3.7
271.14783	2.7
273.12598	4.2
275.14261	5.5
277.14484	8.3
283.14917	3.4
285.12805	5.3
285.16278	4.0
287.13324	5.7
292.09329	3.0
297.12845	3.8
297.16251	2.9
298.13400	3.7
299.14301	8.1
300.14743	3.8
301.15900	6.1
303.14102	4.3
303.17474	6.5
305.13901	5.6
312.14774	4.5
313.15820	8.9
315.17496	8.6
327.13803	3.1
327.17441	11.1
329.18991	5.4
331.16949	10.2
340.14395	4.8
345.18411	9.4
355.16971	4.2
357.18237	3.9
359.16327	6.4
368.34055	3.0
373.17905	17.2
387.19604	11.4
389.21130	9.1
391.19101	4.4
401.17599	4.1
405.20685	33.1
407.22391	4.9
419.18384	5.8
423.21756	11.7
433.20242	22.6
437.19080	2.9
451.21158	37.6
461.70447	3.3
469.13776	2.4
469.22131	14.5
511.23819	6.3
537.24908	42.3
555.25714	3.3
565.24414	27.8
579.25964	16.4
597.27234	17.8
615.27985	4.9
664.46808	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	632.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01862	4.2
55.05263	4.8
55.05515	65.1
67.05493	9.0
69.03428	6.3
79.05477	9.4
81.07044	12.3
83.04981	100.0
83.08574	3.1
91.05495	20.9
93.07037	13.6
95.04976	11.5
95.08589	7.5
103.05476	17.9
105.03439	4.1
105.07024	21.7
107.04961	4.4
107.08566	11.1
109.06531	4.1
110.76911	3.4
111.04409	4.1
115.05425	7.7
117.07014	11.9
119.08581	27.7
121.06492	8.4
121.10145	5.8
123.08067	4.3
128.06230	6.7
129.07004	10.9
131.04921	28.4
131.08582	16.0
133.06474	11.9
133.10112	17.4
135.04453	3.8
135.08046	11.9
137.09573	3.6
142.07738	7.3
143.08543	17.5
145.06503	11.8
145.10165	15.1
147.08055	11.4
149.09602	8.2
155.08487	8.7
156.09354	10.4
157.06511	5.1
157.10103	25.0
159.08038	13.7
159.11681	12.0
161.05998	9.1
161.09654	11.6
163.07568	8.3
167.08595	5.2
169.06560	4.2
169.10117	16.2
170.10915	9.7
171.08014	7.1
171.11702	31.4
173.09630	19.4
175.07571	5.9
177.05508	5.9
177.09106	12.1
179.07028	4.4
179.08534	8.0
180.09320	5.4
181.10075	9.4
183.08025	6.8
183.11674	32.9
185.09602	10.2
185.13217	18.1
187.11192	11.6
191.06927	3.6
191.08630	4.1
191.10641	5.1
192.09302	4.1
193.10155	8.8
195.08041	3.1
195.11694	8.4
197.09590	12.3
197.13266	7.7
199.07599	3.6
199.11244	20.4
200.11906	3.1
201.12737	5.5
205.10172	4.5
206.10840	5.8
207.11728	7.7
209.13268	5.2
211.11177	5.2
213.09091	4.7
213.12762	21.2
214.13103	5.4
215.10638	4.5
217.08540	4.2
217.10361	3.9
217.12196	4.1
218.10649	5.7
219.11755	6.0
220.12292	5.0
221.13249	9.5
222.13979	4.1
223.11174	6.7
223.14766	6.0
225.12894	3.7
229.12262	6.1
231.13811	8.8
233.13318	6.8
235.11243	4.1
235.14868	3.6
236.15802	3.2
237.09116	4.4
237.12674	5.5
241.12273	3.8
243.11752	4.9
245.13373	3.1
246.14082	6.3
247.14841	10.7
249.12631	5.2
249.16534	8.5
251.14441	3.7
253.12256	3.4
255.11774	3.9
256.12390	4.4
257.13333	6.0
258.13907	4.1
259.12952	5.8
260.15805	3.7
261.12717	4.4
261.16278	7.6
262.13458	5.1
263.14221	7.2
265.12247	3.7
270.13937	4.0
271.14761	6.1
272.15152	3.7
273.12631	4.5
273.16351	6.8
275.14346	9.1
277.15417	4.3
279.13937	4.4
285.16064	5.7
286.17029	3.9
288.15335	3.5
289.15973	4.3
293.15289	3.3
293.19080	4.0
301.15744	4.9
303.14017	4.7
307.16843	4.6
309.18378	4.1
313.15753	6.8
319.16742	3.9
321.18509	10.6
329.15497	4.9
331.16907	11.4
333.18500	5.0
337.18100	6.1
339.19476	7.0
345.18399	11.3
347.16321	5.9
347.20093	5.9
349.17908	13.5
359.16333	9.8
363.19608	7.2
373.17868	11.7
375.19128	4.1
377.17404	9.6
391.18747	15.3
401.17484	10.0
405.20587	7.1
407.18246	4.7
409.20172	4.6
413.76129	3.8
419.18442	25.5
423.21597	11.1
425.19720	3.9
433.20230	4.7
437.19666	44.2
451.20981	10.7
455.20660	30.4
469.22018	7.4
497.21573	11.9
515.22693	10.5
615.27533	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	631.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.05510	3.9
57.07059	1.6
64.15706	0.8
64.39127	0.7
65.03929	0.8
67.05507	5.6
69.03436	6.5
69.07066	2.6
69.20336	3.3
69.20769	4.1
71.05019	1.3
79.05504	6.2
81.03413	1.7
81.07068	11.0
83.04974	3.1
83.08603	1.5
91.05483	8.0
93.07060	6.7
95.04984	1.6
95.08598	6.0
97.02906	1.0
98.21518	1.7
103.05469	0.8
105.07042	8.6
107.04960	4.0
107.08599	20.0
109.06534	4.7
109.10158	7.7
111.08049	0.9
113.99053	0.7
115.05472	1.8
117.07027	3.1
119.08589	5.7
121.06499	1.9
121.10148	11.0
122.07291	5.1
123.08051	1.6
125.09653	1.2
129.07002	1.1
131.08601	2.7
133.10139	100.0
135.08080	8.3
135.11682	2.5
137.09627	62.2
143.08591	1.4
145.10133	2.9
147.11690	4.0
149.09637	1.1
149.13271	10.5
151.11179	4.3
158.10916	1.6
161.13277	0.8
162.77431	0.8
163.14867	3.0
165.45996	0.7
171.11684	1.5
171.14847	1.5
173.13292	7.7
180.73586	0.7
191.14319	53.1
209.15355	7.1
405.26556	1.1
631.25629	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	632.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.05516	59.5
55.71458	3.1
67.05505	5.0
79.05477	13.5
83.04988	96.9
91.05478	19.4
93.07026	9.4
95.04986	8.3
95.08614	9.3
97.06599	4.3
98.21543	6.4
101.08330	3.8
103.05472	6.3
105.07044	36.6
107.08588	13.4
109.06505	7.1
115.05430	8.5
117.07008	17.6
119.08598	32.0
120.33081	3.6
121.06518	7.0
121.10107	4.1
128.06216	9.2
129.07028	9.6
131.04941	7.9
131.08563	15.5
133.06491	12.6
133.10138	23.9
135.08073	5.9
141.07060	4.4
142.07741	7.2
143.08559	14.9
145.06473	10.0
145.10114	17.6
147.08028	16.0
149.09608	11.3
151.07513	5.9
155.08557	9.5
156.09340	13.4
157.10138	28.1
159.08015	13.3
159.11691	10.9
161.06009	30.4
161.09596	16.0
163.07564	10.1
169.10135	12.6
170.10895	7.8
171.08029	9.1
171.11705	39.3
173.05980	8.0
173.09644	17.2
173.13197	4.2
175.07533	20.4
175.11299	4.2
177.09119	12.1
178.09705	4.1
179.06981	4.1
179.08554	3.9
179.10654	5.1
181.10052	9.4
183.08032	6.4
183.11710	37.0
185.09624	13.5
185.13251	33.1
187.07603	6.5
187.11197	14.0
189.05438	7.0
191.10677	4.3
193.08641	6.2
193.10231	5.7
194.10866	5.4
195.11679	13.8
197.09615	11.0
197.13275	13.1
199.07628	3.8
199.11176	23.8
201.09138	6.3
201.12733	7.9
203.07051	5.2
206.10966	7.2
207.11722	10.3
208.12357	6.0
209.13229	6.8
211.07727	4.1
211.11113	6.3
213.09106	10.3
213.12796	24.0
215.10632	9.1
217.08479	6.0
217.12096	4.6
218.11011	4.9
219.06519	5.2
219.11781	5.7
221.09601	4.0
221.13243	6.4
223.11108	4.9
225.09047	6.8
225.12920	4.6
227.44345	4.1
229.10291	5.9
229.12279	12.6
230.10905	5.4
230.13042	5.1
231.10049	6.7
231.13779	21.4
233.13290	6.3
234.13795	5.2
235.11172	4.3
235.14909	5.6
237.12709	4.2
239.10519	5.0
241.12276	8.4
243.11772	5.4
246.13930	4.7
247.10995	4.7
247.14986	5.5
251.10814	5.9
251.14131	4.5
257.13376	6.5
259.13144	24.0
261.16171	4.0
265.12222	8.2
268.12402	5.6
269.13290	6.2
270.14078	11.7
271.14764	11.2
273.12570	4.9
275.12775	7.2
277.14502	7.0
279.13797	7.4
284.15680	4.4
285.16278	9.3
287.14246	6.9
297.12820	4.9
298.13174	7.7
299.14313	5.0
299.17789	7.0
301.12439	4.8
301.15894	5.4
302.12885	6.2
303.13852	5.8
313.15781	8.3
317.18924	5.3
327.17435	8.2
329.14993	4.4
331.16946	16.5
341.15439	10.5
343.17014	6.2
345.18500	15.5
347.16431	6.4
349.18127	7.1
355.16949	12.8
359.16403	18.6
361.18063	4.8
363.19528	9.9
371.16711	5.2
373.17926	26.8
375.19473	5.4
377.17505	12.7
383.16376	8.9
389.17606	6.8
391.19147	29.8
401.17432	49.2
407.18863	8.3
409.20135	17.2
419.18527	98.8
437.19644	100.0
455.20569	25.1
464.93628	4.1
479.20831	26.0
497.21744	42.9
515.22876	49.9
537.24445	4.4
597.27020	19.1
597.94147	4.8
615.27521	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	631.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	3.9
52.81282	2.0
53.03960	11.8
55.01882	10.2
55.05529	10.4
65.04790	2.2
67.05497	4.5
69.03430	5.6
69.07070	4.8
77.03918	4.2
79.05482	9.2
81.03439	10.5
81.07067	5.1
83.05009	11.4
86.53139	2.3
91.05495	28.5
93.07045	13.3
95.04980	23.2
95.08595	6.0
95.19751	2.0
95.91570	1.8
99.04443	2.1
103.05475	24.1
105.03401	100.0
105.04521	6.5
105.07041	20.0
107.04978	6.5
107.08580	9.4
109.06509	3.9
109.10091	2.1
115.05466	7.6
115.95146	2.2
116.06229	2.6
117.07018	16.2
119.04979	2.6
119.08587	30.0
121.06505	5.7
121.10107	6.2
123.08059	2.0
128.05371	1.8
128.06230	8.8
129.07013	16.6
130.07802	2.4
131.04936	56.7
131.08578	18.1
133.06526	7.2
133.10144	18.3
135.08046	6.4
141.06996	8.0
142.07770	8.7
143.08574	19.8
145.06490	12.1
145.10141	14.6
147.08061	39.0
147.11700	4.1
149.09631	5.0
153.06961	3.2
154.07826	2.1
155.08592	11.2
156.09340	7.3
157.06573	2.8
157.10135	20.2
159.08058	21.4
159.11726	7.0
161.05972	6.0
161.09639	32.8
163.07549	4.1
165.07025	6.0
165.09103	5.2
166.07787	3.6
167.08577	7.7
168.09331	6.3
169.06483	4.7
169.10120	11.3
170.10928	6.1
171.08017	11.2
171.11699	23.5
173.05981	5.8
173.09612	12.0
173.13269	5.8
175.07565	14.8
175.11172	2.8
178.07736	4.2
179.08621	5.9
180.09323	3.3
181.10109	6.8
182.07298	2.8
182.10938	6.3
183.08022	6.5
183.11723	13.9
184.08855	3.2
184.30104	2.0
185.09660	10.3
185.13274	11.7
187.07567	8.6
187.11215	7.0
187.14821	4.7
189.09119	5.8
190.07758	2.5
193.10054	6.6
194.11029	3.0
195.07982	4.1
195.11711	8.8
196.08820	2.6
197.09615	9.5
197.13264	16.3
199.07484	2.9
199.11168	17.6
200.11784	2.4
201.09137	4.3
201.12817	6.8
203.08521	2.4
205.10120	2.4
207.11813	4.8
209.09648	7.2
209.13260	3.9
210.10347	2.6
211.11224	16.9
211.14764	2.3
213.09093	4.3
213.12755	15.8
215.10779	2.4
215.14250	13.4
215.85788	2.3
218.10858	3.3
219.11742	3.5
220.12498	3.2
221.13254	4.3
223.11174	11.0
223.14784	3.2
225.09134	4.0
225.12735	4.8
227.10721	3.7
229.10164	4.9
229.12195	19.5
230.10876	3.6
231.11598	4.4
231.13751	3.8
233.09592	4.4
233.13254	4.2
235.11174	4.3
235.14850	2.8
237.09016	3.3
237.12743	5.6
239.10718	2.6
240.09421	2.4
241.08394	2.4
241.12296	4.7
243.11659	5.6
243.13857	3.9
244.12474	4.4
245.13318	4.9
247.11205	5.3
249.12761	3.7
251.14357	4.9
254.10963	2.7
255.11786	5.4
256.12268	2.9
257.08139	6.9
257.13257	4.0
258.10327	2.5
259.13333	3.6
260.11975	4.1
261.12820	3.8
261.16379	2.7
269.13126	4.3
270.14011	3.5
271.14862	3.5
272.11935	3.4
273.12579	4.4
274.13541	2.2
275.14236	4.2
279.11737	2.4
280.12408	2.9
281.13068	3.7
282.10498	4.1
283.11142	7.5
284.12082	3.5
284.15356	3.0
285.16394	5.9
287.14404	6.8
288.15057	3.3
289.15952	2.8
295.14774	3.9
297.12680	7.8
298.13464	7.0
299.10928	2.5
299.14307	6.7
299.17520	2.3
301.10757	6.1
301.15964	4.1
303.13983	2.0
303.17535	4.7
305.15421	3.0
309.12805	7.5
310.13638	3.0
310.16989	2.7
311.14340	7.6
312.15109	4.0
313.12463	3.5
313.15802	18.1
315.13828	3.5
315.17410	4.0
317.18863	3.0
323.14212	9.2
324.14993	4.5
325.15836	4.7
326.16373	2.2
327.13910	3.0
327.17474	7.0
328.18271	3.6
329.15411	4.5
329.19019	4.5
331.16968	16.4
338.16660	7.2
341.15390	3.5
341.19128	6.0
343.20682	10.7
345.18436	7.0
347.20151	4.7
353.19052	21.8
356.17654	3.4
359.20166	4.7
361.21555	6.0
371.20084	67.6
387.19553	2.9
389.21118	49.5
401.15451	2.3
405.20575	3.0
407.22284	2.7
423.22021	3.2
431.22137	7.3
449.23318	23.1
463.17020	2.6
481.18649	4.7
509.25363	4.9
537.56586	2.5
581.23358	2.4
613.28021	17.6
634.77136	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	631.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.2
53.03956	9.4
55.01862	3.0
55.05510	12.3
58.18652	1.7
65.03945	2.4
67.05518	12.9
69.03443	8.8
69.07054	5.4
69.40541	15.9
72.27575	1.6
79.05497	11.5
79.79886	1.9
81.03421	16.9
81.07062	8.8
83.04982	16.3
83.08611	1.9
85.02433	3.8
85.02908	46.5
91.05495	14.6
93.07069	14.1
95.04973	48.9
95.08595	8.1
103.05453	10.7
105.03399	99.2
105.04508	5.4
105.07002	18.3
107.04965	10.3
107.08574	9.3
109.06507	8.5
109.10170	2.9
109.21112	1.7
112.06952	2.0
115.05476	2.4
117.06998	6.3
119.08596	17.3
121.06520	11.2
123.08034	4.2
128.06226	7.1
129.07033	9.3
131.04932	26.3
131.08575	9.2
133.06503	7.1
133.10173	5.2
135.08080	10.3
139.15355	1.7
141.06961	5.9
141.81871	1.8
142.07791	12.3
143.08568	16.2
144.09512	2.4
145.06491	15.0
145.10121	10.5
147.08020	7.5
149.09624	2.7
152.06250	2.3
153.06964	3.3
154.07799	4.1
155.08559	9.4
156.09294	6.0
157.10133	19.1
159.08054	7.8
159.11667	5.3
161.09615	5.7
165.07034	6.1
167.08556	7.8
168.09344	3.3
169.10120	40.6
170.07262	4.9
171.08037	7.0
171.11681	12.0
172.08856	2.1
173.09599	5.5
177.09167	2.7
178.07745	3.8
179.08507	10.5
180.09285	6.3
181.10088	7.5
182.10829	4.5
183.08118	2.5
183.11702	15.1
184.08810	2.3
185.09639	28.2
185.13191	4.9
187.11176	19.0
191.08571	2.6
192.09328	3.2
193.10132	12.9
194.10931	6.9
195.11716	12.8
196.08945	2.0
196.12450	2.6
197.09602	6.1
197.13295	4.8
198.17609	1.9
199.11153	7.6
200.11990	2.7
201.12791	2.6
203.08563	4.4
205.10158	7.8
206.10951	10.5
207.11670	16.0
208.08902	2.1
208.12523	3.5
209.09616	2.4
209.13206	15.0
211.11134	5.3
211.14795	12.5
213.12723	4.7
215.08632	3.9
216.09305	3.8
217.10118	7.3
218.10931	5.9
219.11676	12.6
220.12416	14.0
221.09859	2.0
221.13277	21.9
222.13899	2.7
223.11191	7.0
223.14850	8.4
225.12822	2.7
227.10652	14.8
229.10182	8.7
230.10902	7.3
231.11694	14.7
232.12476	9.1
233.09637	2.7
233.13251	13.6
234.10449	2.8
234.14021	5.2
235.11198	2.4
235.14796	15.7
237.12675	8.6
237.16415	5.0
239.10841	2.4
239.14278	6.3
241.10097	2.6
242.10872	4.2
243.11757	10.9
244.12407	8.7
245.09485	2.5
245.13399	12.8
246.14069	9.3
247.11224	3.2
247.14825	15.1
248.15620	2.2
249.12717	5.2
249.16418	14.0
251.14345	4.0
253.15874	2.5
254.10872	3.0
255.11734	4.7
256.12482	6.1
257.09653	2.7
257.13251	6.6
258.14066	5.2
259.11188	4.5
259.14780	7.1
260.15582	5.5
261.12689	5.1
261.16400	10.3
262.13449	2.9
262.17157	4.9
263.14288	3.3
265.12793	1.8
265.15723	2.5
267.11539	2.6
269.13153	4.4
270.10321	2.7
270.14026	3.0
271.11148	6.5
271.14783	5.9
272.11884	3.7
272.15454	1.9
273.12793	8.7
273.16403	6.0
275.14590	4.4
275.17929	15.8
277.15817	6.0
281.13025	3.6
283.11084	3.9
283.14490	2.4
284.12073	3.8
284.15228	2.4
285.12714	8.5
285.16354	7.0
286.13571	7.0
287.14270	8.1
287.17487	2.9
288.15173	2.6
289.15866	4.6
293.18936	4.1
295.14658	3.7
297.12772	3.9
297.16309	2.7
298.13336	5.0
299.14252	14.4
299.17618	3.2
300.14990	7.7
300.18405	2.1
301.15866	8.9
303.17410	13.8
305.15527	8.8
305.18631	2.4
310.17114	3.4
311.14276	2.2
312.14825	2.8
313.15927	13.4
314.16531	6.8
315.13904	3.5
315.17377	22.8
315.20926	3.7
321.18222	3.1
323.14185	3.4
325.19608	5.0
327.17490	15.2
328.18237	9.6
329.15405	3.8
329.19055	6.8
331.16898	2.8
333.18451	2.9
333.22208	2.6
341.18921	4.9
342.19775	5.0
343.20584	100.0
345.18478	20.7
353.18839	14.7
361.21588	31.2
371.20065	33.9
373.21643	2.6
389.21024	25.1
391.22513	3.3
403.19165	2.8
431.22263	33.1
449.23083	8.3
474.26883	1.9
483.19931	2.7
505.15424	2.2
546.55896	1.9
611.86395	2.0
614.29016	2.4
631.32343	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	631.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.0
53.03939	2.1
55.01881	3.6
55.05510	0.6
67.05489	1.1
69.03442	1.2
69.07053	1.1
69.97197	0.5
69.97497	2.6
71.05003	0.6
77.03919	1.0
79.05496	1.8
81.03424	2.5
81.07043	1.5
83.05001	0.6
83.08627	0.5
85.77396	0.5
91.05483	5.9
93.07044	2.6
95.04977	4.0
95.08580	0.9
97.06522	1.0
98.21375	0.7
103.05473	43.7
105.04509	0.6
105.07050	5.7
107.04962	1.7
107.08598	2.2
109.06504	1.3
109.10175	0.9
115.05457	1.8
117.07027	4.2
119.08591	5.9
121.06526	1.7
121.10178	1.2
128.06209	1.7
129.07022	4.1
131.04933	100.0
131.08565	4.5
133.06477	1.1
133.10136	5.2
135.08049	1.9
141.06996	0.9
142.07793	1.7
143.08563	5.1
145.06474	4.3
145.10103	2.9
147.08049	17.7
149.09627	2.0
150.24873	0.5
155.08574	2.4
156.09375	3.0
157.06569	0.7
157.10132	6.8
158.07309	0.8
159.08060	8.6
159.11708	2.8
161.05989	0.8
161.09630	9.4
163.07530	4.8
165.07036	0.8
165.09180	0.6
166.07762	0.5
167.08569	0.7
169.10141	2.7
170.10916	2.0
171.08115	2.9
171.11693	9.9
173.06007	2.2
173.09628	4.5
173.13298	1.6
175.07542	2.8
175.11166	1.1
179.08546	0.8
179.10696	2.1
181.10117	1.1
183.08183	1.0
183.11729	4.9
184.08852	0.9
185.09639	4.7
185.13248	7.4
187.07570	2.4
187.11235	1.9
189.09143	1.2
191.10722	1.2
192.09380	0.5
193.10278	0.6
195.11697	1.6
197.09625	1.9
197.13274	1.2
198.10406	0.6
199.07565	0.7
199.11177	5.2
200.11948	1.2
201.09148	1.7
201.12770	1.4
203.10670	1.1
203.14330	0.7
205.10132	0.6
206.11015	0.6
207.11717	1.0
209.09599	0.7
209.13277	0.9
211.11229	1.8
213.09192	1.0
213.12749	7.4
215.10677	1.1
217.08623	1.5
217.12247	1.5
219.11787	0.6
221.13319	1.1
223.11186	1.1
223.14836	0.9
225.09105	0.9
225.12718	0.6
227.10718	1.1
229.10222	0.7
229.12300	1.6
231.11806	0.6
231.13777	7.1
233.13405	0.6
234.14044	0.7
235.11124	0.9
237.12793	1.5
239.10658	0.8
241.12204	2.9
243.13933	0.6
244.12593	0.8
245.11557	3.7
247.11177	1.2
249.12752	0.7
249.14874	0.9
251.14288	0.6
259.10999	0.8
259.13300	6.6
261.12738	0.7
262.13586	0.5
263.14313	0.7
267.14145	0.6
271.15079	0.6
273.12814	0.8
275.14529	0.8
277.14413	4.9
279.13782	0.6
283.10980	0.6
284.15787	0.6
285.12875	0.9
285.16177	0.6
287.14273	1.4
288.15164	0.8
289.12372	0.6
289.15945	0.8
291.13620	0.6
293.15253	0.5
297.12631	1.0
299.14398	0.6
301.15820	1.4
303.13867	0.5
309.15030	0.7
311.14056	0.8
312.15033	1.1
313.12473	0.6
313.15967	1.2
315.17551	1.1
317.15591	0.7
317.19150	1.3
326.16589	1.0
327.17480	2.7
328.18256	1.1
329.15472	1.0
329.19092	0.8
335.16110	0.5
341.19113	1.4
345.18558	2.3
357.18402	1.1
359.20160	2.1
361.17889	0.5
363.19702	0.6
369.18552	2.2
375.19614	3.5
377.21039	4.1
385.56195	0.6
387.15088	0.9
387.19598	9.8
393.20563	1.2
395.22287	1.0
405.20633	12.1
423.21664	6.7
433.31311	0.8
447.21857	1.5
465.22708	4.1
483.23801	6.4
503.89224	0.5
535.24384	0.6
613.27905	2.2
631.28217	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.9
53.03942	1.9
53.69316	0.8
55.01672	0.6
55.01877	7.9
55.05497	1.7
67.05505	3.1
69.03413	1.0
69.07063	2.2
70.02153	2.1
70.02555	1.8
75.54768	0.7
77.03924	1.7
79.05503	5.2
80.39017	0.8
81.03414	5.6
81.07056	3.1
83.04977	2.0
91.04967	1.2
91.05492	14.0
93.07039	5.8
95.04975	5.2
95.08594	3.1
97.06503	1.3
99.04442	0.9
103.05476	46.3
104.84441	0.7
105.03398	1.4
105.07038	12.3
107.04945	3.2
107.08613	5.0
108.98113	0.8
109.06505	3.2
109.10159	1.2
115.05466	6.7
116.06230	0.9
117.07027	10.9
119.04988	0.9
119.08586	16.7
121.06530	2.2
121.10150	3.2
123.08025	1.2
128.06195	3.7
129.07016	11.4
130.07802	1.9
131.04939	100.0
131.08583	9.9
133.06491	2.5
133.10130	12.7
135.08067	5.9
141.06978	3.1
142.07794	4.6
143.08569	9.0
144.05655	0.9
144.09280	1.3
145.06477	10.2
145.10133	7.7
146.07288	1.1
147.08060	42.8
149.06010	1.2
149.09602	3.3
153.07002	1.7
154.07819	1.3
155.08565	3.7
156.09378	7.1
157.06480	1.3
157.10149	13.9
158.07254	1.9
159.08084	12.8
159.11711	8.4
161.05951	1.5
161.09637	12.0
163.07547	27.5
163.11168	1.2
165.06993	2.4
166.07761	1.3
167.08597	1.2
168.09375	1.1
169.10133	7.8
170.10916	4.3
171.08063	5.0
171.11700	21.4
172.08806	0.9
173.06004	3.6
173.09641	12.5
173.13240	3.2
175.07555	5.9
175.11168	2.2
177.09102	1.3
179.08549	1.4
181.10162	2.8
182.10982	1.7
183.08116	1.6
183.11719	22.2
184.08820	0.8
185.09663	6.5
185.13266	14.0
187.07549	4.6
187.11200	4.6
189.09056	2.2
189.12761	1.2
191.10672	1.9
193.10143	1.7
195.08104	1.0
195.11725	5.6
197.09607	3.5
197.13277	5.1
198.10419	1.8
199.07489	1.4
199.11209	8.4
200.11905	2.6
201.09119	4.8
201.12807	4.4
203.08809	0.9
203.10741	2.3
205.10197	1.0
206.10919	1.9
207.11729	3.5
208.12378	1.0
209.09612	2.1
209.13219	2.1
211.07529	0.9
211.11217	2.4
211.14699	0.9
213.09174	1.5
213.12775	16.7
215.10651	2.9
217.08540	2.3
217.10458	1.1
217.12296	2.8
219.11877	1.4
219.13812	3.0
220.12367	1.0
221.13260	1.9
223.11220	2.7
223.14737	1.5
225.12758	1.8
227.10696	2.9
229.10216	1.3
229.12215	5.9
230.10873	1.2
231.11746	1.9
231.13808	15.4
233.13324	1.6
235.11209	1.4
235.14749	1.2
237.12622	2.1
239.10649	2.1
241.12256	13.0
243.11734	1.4
243.13899	1.7
244.12466	1.7
245.11618	4.9
245.15439	1.2
247.11136	1.9
249.12642	1.3
249.14876	3.4
257.13474	1.1
258.14136	1.4
259.13251	16.2
259.15390	1.1
261.12723	1.9
262.13440	1.2
263.14041	0.9
265.12268	0.9
265.15497	1.0
270.10535	0.8
270.13852	1.0
271.11050	1.1
272.11804	1.2
272.15530	0.9
273.12857	1.5
273.16110	1.1
277.14328	4.9
283.11066	1.8
283.14639	0.8
285.12708	0.9
287.14273	2.7
287.17691	1.2
288.14990	0.9
289.15741	1.4
291.17343	0.9
297.12793	1.5
299.14331	1.3
299.17642	0.9
301.15787	1.6
302.12500	0.8
302.16306	1.0
303.13901	1.0
303.17322	2.1
312.15134	2.1
313.15768	2.2
315.17453	2.8
317.15167	0.8
317.18909	2.3
327.17398	3.8
328.18256	1.6
341.19000	1.3
345.18411	2.2
347.16058	1.1
357.18427	2.0
359.20032	3.3
363.19498	1.5
369.18469	1.1
371.19830	1.2
375.19547	3.2
377.21188	4.9
387.19623	13.0
393.20715	2.5
395.22037	0.8
405.20630	21.8
423.21762	8.1
447.21887	1.6
451.20813	1.1
465.22995	5.0
483.23761	5.2
580.52448	0.9
613.27625	3.0
631.29053	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.4
53.03936	8.6
55.01873	14.3
55.05507	6.9
59.59106	2.1
65.03914	2.6
65.38899	1.9
67.05502	11.2
69.03432	30.4
69.07056	4.7
69.46751	9.2
69.47161	6.1
77.03911	3.2
79.05492	13.9
81.03417	13.2
81.07054	10.4
83.04977	13.1
90.92368	2.1
91.05482	32.7
92.05790	2.2
93.07049	14.2
94.93272	2.1
95.04964	21.1
95.08607	8.8
103.05471	44.6
104.05785	6.0
105.02712	4.0
105.03394	61.2
105.04472	4.1
105.07031	25.9
107.04945	9.4
107.08602	10.4
109.06532	6.6
109.10181	2.9
115.05449	15.0
116.06240	3.3
117.07021	17.6
119.04969	2.3
119.08585	34.6
121.06489	8.2
121.10122	8.8
123.08088	2.3
128.06189	7.6
129.07018	20.3
130.07828	3.0
131.04927	100.0
131.08580	23.1
132.05226	10.9
133.06485	7.0
133.10133	18.8
135.08069	11.2
135.11673	3.0
141.07014	5.0
142.07796	10.6
143.08589	23.5
144.62581	2.1
145.06493	18.1
145.10123	21.7
147.06941	4.5
147.08051	65.7
147.11623	4.2
149.09622	5.9
153.06969	3.7
154.07742	3.0
155.08539	9.8
156.09283	14.6
157.06578	3.0
157.10124	33.6
158.07341	3.8
159.08064	48.1
159.11685	19.0
161.05977	4.1
161.09621	37.2
161.13315	3.0
163.07556	12.7
163.11237	4.7
165.06993	5.9
165.09070	3.2
166.07797	2.5
167.08586	4.7
168.09351	2.9
169.06438	3.3
169.10091	11.1
170.10866	4.0
171.08061	16.7
171.11684	39.9
172.12047	2.8
173.05995	8.3
173.09637	25.0
173.13246	6.7
175.07556	18.6
175.11171	6.8
179.08565	4.0
179.10661	3.8
180.09409	2.5
181.10136	6.5
182.07300	2.8
183.08121	6.1
183.11700	26.9
185.09636	18.9
185.13248	26.2
187.07538	9.0
187.11211	11.8
187.14745	3.0
187.69994	2.2
189.09134	6.3
189.12794	5.8
191.10596	3.7
192.09229	4.0
193.10181	7.2
194.11017	2.8
195.08022	4.1
195.11691	7.3
197.09624	8.8
197.13199	10.8
198.10464	2.7
199.07544	2.8
199.11172	16.5
200.11781	3.5
201.09105	4.7
201.12732	5.8
203.10664	3.2
203.14343	4.1
204.09113	2.6
205.08496	2.9
206.10828	2.3
207.11726	8.0
208.08865	4.2
209.09732	3.3
209.13338	4.5
211.11208	8.1
213.09171	3.1
213.12744	24.4
215.08745	3.7
215.10683	9.2
215.14333	6.1
217.08603	6.5
217.10384	3.2
217.12263	13.0
219.11789	3.8
219.13821	6.3
221.09651	3.6
221.13354	4.3
223.11186	9.9
223.14845	3.0
224.08304	2.3
225.09132	3.6
225.12657	5.4
227.10669	4.5
229.10214	3.9
229.12277	9.7
230.10916	3.5
231.09891	3.7
231.11818	3.7
231.13776	29.2
232.12440	3.1
233.13327	3.6
233.15359	4.8
234.13762	2.3
235.11156	4.3
237.12772	4.8
237.16338	3.2
239.10616	3.7
241.12291	6.7
243.11942	3.2
245.11531	4.9
245.13644	3.9
247.11200	4.3
247.15044	3.8
248.11986	4.0
249.12645	5.7
249.14891	7.8
251.14302	3.0
257.13229	6.4
258.13989	4.5
259.11041	4.0
259.13266	17.3
259.98108	2.5
260.11880	3.0
261.12579	5.0
269.13190	5.2
271.11316	3.5
271.14526	3.4
273.12686	8.1
274.13678	2.6
275.14328	2.7
277.14368	9.0
279.13977	3.8
281.12900	2.6
283.11243	3.7
283.14410	2.5
284.15457	3.1
285.12732	4.7
285.16290	3.2
286.13593	3.5
287.14243	6.4
289.12219	4.7
297.12671	3.4
298.13455	5.5
299.14355	5.7
300.15338	3.4
301.15863	8.4
303.13782	4.6
303.17532	3.7
311.14349	6.2
313.12469	2.8
313.15936	8.6
314.16547	2.9
315.17398	4.6
323.14233	4.3
326.16608	2.5
327.17377	7.2
329.15280	6.0
329.18900	2.9
331.16772	6.9
338.16397	2.6
341.18909	7.3
343.16766	3.7
343.20566	3.2
345.18390	8.5
347.16312	3.4
353.19028	6.0
359.20074	10.5
369.18436	6.7
371.20056	25.0
375.19510	8.1
377.20956	8.5
386.09378	4.5
387.19467	22.9
389.21109	16.4
393.20294	4.7
403.18222	2.6
405.20560	38.2
423.21588	29.8
431.22333	3.6
449.23199	7.1
463.18472	2.7
463.24747	2.8
491.24014	5.5
509.25058	2.9
613.28149	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.9
53.03940	2.2
54.41404	0.6
55.01874	2.9
55.05498	2.4
55.16209	0.6
57.07083	0.8
61.02902	0.6
63.90311	0.6
65.03940	0.7
67.05492	1.8
69.03439	1.6
69.07066	2.0
70.06589	0.7
71.04976	0.6
77.03916	0.8
79.05492	2.4
81.03414	2.1
81.07059	1.4
83.04981	2.7
88.07623	2.2
91.05484	6.6
93.07059	3.2
95.04974	4.5
95.08602	2.3
97.06579	0.7
102.09157	0.6
103.05474	50.4
104.33939	0.5
105.03394	0.8
105.04514	1.3
105.07027	6.6
107.04960	1.9
107.08606	2.6
109.06532	2.1
109.10176	0.8
109.19852	0.7
115.05453	2.7
117.07017	5.2
119.08588	7.9
121.06488	1.5
121.10148	2.0
123.08098	1.1
127.03909	0.9
127.71210	0.6
128.06239	2.3
129.07014	5.0
130.07796	1.0
131.04936	100.0
131.08568	5.2
132.05249	0.8
133.06496	1.6
133.10114	4.9
135.08043	2.0
137.09657	1.1
141.07013	1.3
141.09311	0.6
142.07770	2.5
143.08557	5.6
144.05658	0.7
145.06523	5.4
145.10162	3.9
146.10501	0.7
147.08052	16.8
149.02396	3.0
149.09634	1.2
150.02745	0.9
153.07002	0.7
154.07813	0.9
155.08563	2.5
156.09312	3.5
157.10152	7.3
158.07219	1.0
159.08070	9.1
159.11713	2.7
161.06084	1.3
161.09612	8.0
163.07542	5.3
163.22266	0.7
165.07030	1.1
167.08563	1.0
169.10159	2.9
170.10924	3.1
171.08098	3.5
171.11713	12.3
172.08615	1.2
173.05997	2.5
173.09619	5.7
173.13268	1.7
175.07584	2.9
175.11246	1.4
177.09213	0.9
179.08609	0.6
179.10696	1.8
180.09378	1.0
181.10179	1.6
183.08051	1.2
183.11699	6.4
184.08885	1.3
185.09668	4.7
185.13264	8.3
187.07544	2.3
187.11185	2.7
189.09145	1.5
189.12704	0.8
191.10762	0.9
192.34935	0.6
193.04964	3.4
193.10176	1.2
194.05402	2.0
195.11723	2.2
197.09566	2.8
197.13248	1.9
198.10300	0.8
199.11198	5.8
200.11926	1.2
201.09082	1.5
201.12781	2.2
203.10791	0.9
207.11775	1.4
209.09631	1.8
209.13327	1.6
211.11156	1.7
213.09157	0.9
213.12766	7.8
215.10825	1.1
217.08543	1.4
217.12219	2.1
218.10930	0.9
219.10048	1.0
221.13344	1.0
223.11177	1.7
223.14806	0.8
225.12894	1.2
227.10693	4.2
227.53362	0.7
228.23239	2.2
229.12291	2.1
229.23613	1.5
230.10947	1.2
231.11757	1.5
231.13757	6.1
232.12592	0.7
234.14127	0.9
235.11285	1.0
235.14908	0.8
237.07471	1.1
237.12904	1.2
241.12273	2.6
243.13956	0.9
245.11511	4.7
245.15643	0.7
247.11140	1.3
248.12029	1.2
249.12755	1.2
249.14970	1.1
255.13884	1.0
259.13193	5.3
260.12076	0.8
261.12747	1.5
269.13205	1.2
271.14862	1.2
273.12439	0.7
277.14322	3.7
279.13837	1.2
283.14340	0.8
284.12015	1.0
285.12665	1.0
289.15912	0.9
291.17477	0.6
293.15424	0.6
297.12744	1.6
299.14481	1.4
300.15149	1.0
301.15930	1.0
303.17560	0.7
305.13953	1.9
312.15054	1.3
313.15817	1.5
315.17294	1.1
317.19003	0.8
327.13846	1.1
327.17545	3.0
329.15347	1.1
329.18942	1.1
341.19043	1.9
343.16901	1.2
345.18436	1.5
347.20120	0.7
349.17776	0.6
357.18509	1.8
359.20230	2.5
361.17911	0.8
363.19531	1.3
369.18396	1.2
375.19580	2.9
377.21207	2.8
386.09424	1.1
387.19641	8.2
395.22089	0.8
405.15808	0.8
405.20709	10.6
423.21698	6.0
429.11545	0.9
430.12265	2.5
447.21640	0.7
465.23071	4.7
483.24011	6.9
613.27740	2.6
631.33167	11.3
659.87952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03169	4.5
50.90103	4.0
50.98544	4.6
53.03948	8.2
55.01860	7.2
55.05518	25.6
62.99883	4.6
67.05499	17.8
69.03422	15.1
69.07072	6.8
71.05003	5.3
79.05505	27.3
81.03418	8.5
81.07043	12.9
83.04994	25.2
83.22811	5.3
85.02887	8.1
91.05480	41.7
93.07043	19.9
95.04967	29.3
95.08595	15.3
96.33961	4.7
97.06523	6.6
98.20792	11.1
100.35757	5.2
103.05483	57.0
105.03393	10.3
105.04556	5.3
105.07042	89.6
107.04957	10.8
107.08633	22.9
109.06538	14.6
109.10136	9.3
111.04473	10.5
115.05457	19.0
117.07036	46.6
119.04963	7.4
119.08599	89.6
121.06505	16.0
121.10174	12.0
125.05986	7.5
128.06238	12.0
129.07018	26.5
131.04938	100.0
131.08577	48.8
133.06485	37.9
133.10123	30.1
135.08063	15.3
137.06013	5.9
140.07074	9.1
141.07018	9.7
142.07774	18.1
143.08534	44.3
144.09312	6.0
145.06512	26.5
145.10126	35.3
147.08035	30.7
147.11670	6.6
149.09634	25.7
151.07623	6.0
153.07005	6.1
155.08545	19.8
156.09341	21.6
157.06557	8.4
157.10133	79.7
158.07246	5.9
158.10851	9.2
159.08070	36.6
159.11716	68.4
161.05991	58.5
161.09624	22.5
163.07509	21.4
165.06993	7.9
165.09093	5.4
166.07726	8.0
167.08598	9.1
168.09277	6.8
169.10100	43.4
170.10875	20.9
171.08044	18.9
171.11713	76.5
172.12073	6.9
173.05910	13.5
173.09607	31.3
173.13243	14.3
175.07550	17.5
175.11211	12.8
177.09160	39.6
179.07080	6.9
179.08545	12.3
180.09375	6.0
181.08646	6.0
181.10110	21.7
183.08107	11.0
183.11699	87.3
184.08835	5.5
185.09615	30.7
185.13229	36.8
187.07510	11.2
187.11198	21.3
189.05435	18.6
189.09111	25.3
191.07018	8.7
191.08685	6.3
191.10599	8.6
192.09377	12.0
193.10170	20.6
194.10854	9.6
195.08096	5.4
195.11673	24.4
197.09615	28.9
197.13234	11.9
198.10443	5.7
199.07620	10.0
199.11162	28.3
200.11794	7.5
201.09059	13.6
201.12717	24.1
203.08698	7.6
203.10574	11.4
205.08656	10.5
206.10890	10.0
207.11690	28.6
208.12387	18.7
209.09647	18.7
209.13228	17.3
210.10393	8.2
211.11232	26.1
213.09088	16.3
213.12680	25.8
215.10649	14.1
216.09373	8.0
217.10292	8.3
217.12140	10.0
218.10924	9.1
219.11694	16.5
220.12500	13.2
221.09663	8.8
221.13242	27.3
222.10403	6.7
223.11153	13.6
223.14790	16.7
225.12755	11.9
227.10730	14.2
229.10272	8.6
229.12192	24.6
230.10820	12.9
231.11662	15.0
231.13794	11.2
232.12448	12.7
233.09613	8.5
233.13275	14.6
233.15335	12.3
234.10396	5.6
235.11125	14.4
235.14839	13.4
236.11908	7.6
237.12726	11.0
239.10744	9.7
239.14172	7.6
241.12230	7.5
242.10858	9.2
243.11690	18.3
243.13902	15.4
244.12503	12.0
245.13260	20.3
245.15457	8.8
246.14029	9.5
247.11179	13.1
247.14857	13.0
248.15521	7.4
249.12733	9.1
251.10579	6.4
251.14282	24.6
253.12349	8.5
257.13290	14.7
258.14075	14.2
259.14816	17.1
261.12741	11.7
262.13602	5.3
263.10620	10.3
263.14224	7.3
265.12112	6.2
269.13474	8.5
270.14044	9.5
271.14853	7.2
272.15622	8.3
273.12790	7.4
273.16345	15.7
274.13464	9.2
275.14386	10.1
275.17834	9.4
277.12228	8.5
279.13809	7.8
283.14856	11.7
284.12039	5.7
285.12720	10.2
285.16254	8.1
286.13470	13.5
287.14316	9.3
289.12134	7.0
297.16306	7.6
299.10504	7.9
299.14114	6.9
300.14944	6.5
301.15894	22.6
303.13983	6.9
303.17361	12.2
305.15469	9.4
310.13364	6.3
311.14038	7.7
313.15475	8.5
314.12796	6.7
315.17188	15.3
316.14215	8.4
317.15326	10.8
319.16895	16.6
321.14816	8.4
327.13721	6.5
329.15216	28.2
331.16895	21.3
333.14963	6.5
333.18451	19.0
343.17075	36.0
345.14700	9.3
345.18524	13.5
347.16437	44.8
347.20145	7.0
349.14346	17.7
349.17957	16.0
359.16446	10.7
361.18008	71.9
363.15726	7.4
363.19653	7.4
365.17419	17.9
371.16232	30.4
373.13828	6.0
373.18057	12.8
375.15533	12.2
375.19781	11.3
379.18988	14.6
381.16876	6.4
389.17404	63.2
391.19424	7.8
393.20596	10.3
399.15869	8.5
403.19141	26.8
403.90475	5.1
405.20544	14.4
405.25623	5.7
407.18454	29.8
417.17075	19.8
421.20206	40.3
423.21991	7.7
431.18808	9.1
435.17767	14.9
439.21155	21.3
441.23053	7.4
449.19632	27.6
453.23422	7.0
465.22986	10.3
467.20477	29.3
483.23679	9.7
485.21686	27.5
545.23456	11.4
553.24170	7.3
613.27997	9.5
631.28369	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	631.2727
Annotation	Humilinolide B
Peak:m/z	Relative Intensity
53.03931	5.6
55.01860	7.0
55.05511	27.3
56.22963	4.5
56.81886	4.9
67.05502	12.3
69.03440	10.9
69.07056	7.9
69.30908	10.7
69.31333	28.1
72.05720	4.3
79.05499	24.8
81.03403	4.8
81.07070	12.4
83.04983	53.6
87.04459	4.2
91.05482	41.5
93.07043	20.4
95.04967	24.2
95.08613	11.8
97.06505	5.8
103.05478	56.4
105.03398	9.8
105.07026	62.5
107.04958	7.7
107.08561	13.2
109.06529	12.5
109.10175	6.3
111.04435	11.3
115.05476	14.1
116.57954	4.1
117.07033	33.3
119.05022	6.5
119.08583	70.4
121.06528	15.4
121.10149	8.2
123.04392	7.4
123.08085	7.7
125.06015	9.7
128.06219	11.0
129.07024	18.5
131.04027	7.6
131.04942	100.0
131.08592	24.1
133.06490	31.9
133.10164	29.4
135.08054	13.0
136.25299	4.8
137.06030	4.9
141.07008	10.0
142.07764	18.8
143.04904	5.2
143.08594	32.0
144.09418	4.1
145.06500	20.6
145.10130	28.5
147.08025	25.8
149.09624	19.4
151.07596	4.7
153.05518	5.4
153.06998	6.0
155.08572	14.1
156.09334	21.3
157.10135	67.5
158.10925	6.5
159.08076	27.2
159.11702	51.3
161.06004	29.4
161.09619	21.8
162.06531	5.4
163.07574	17.4
165.07062	6.3
165.09146	5.6
167.08565	11.5
168.09317	7.7
169.10117	40.9
170.10858	19.7
171.08092	16.5
171.11697	52.9
172.12302	5.3
173.06012	10.4
173.09616	21.2
173.13318	11.5
175.07552	18.1
175.11195	11.6
177.09129	39.4
179.07079	6.3
179.08624	11.0
180.09369	10.1
181.10136	20.0
183.08060	13.6
183.11694	75.7
184.12270	5.9
185.09616	20.1
185.13304	26.3
186.13588	9.2
187.07544	8.9
187.11133	26.0
189.05444	15.8
189.09131	26.7
191.07024	8.5
191.08568	5.3
191.10683	6.8
192.09319	5.9
193.10127	12.7
194.10814	7.9
195.08116	6.6
195.11742	23.7
197.09639	15.0
197.13231	12.3
199.07567	5.3
199.11212	22.2
201.09030	9.8
201.12758	19.7
203.10797	6.5
205.08554	10.5
206.10904	10.3
207.11681	33.6
208.12415	13.2
209.09657	9.9
209.13245	19.5
211.11140	19.7
213.09090	11.5
213.12697	22.8
215.10660	15.0
217.10315	8.8
217.12219	7.4
218.10786	7.2
219.11690	12.3
220.12320	6.5
221.09674	8.0
221.13249	20.1
222.10292	7.7
223.11209	8.9
223.14771	18.9
225.12737	13.2
227.10667	10.1
229.10245	7.9
229.12265	17.6
230.10849	7.1
231.11818	9.2
231.13734	7.8
232.12387	8.7
233.09657	9.9
233.13470	10.3
233.15430	10.0
234.13933	6.2
235.11200	15.6
235.14844	12.7
237.12749	13.5
237.16368	5.9
239.10675	5.3
241.12239	7.8
243.11644	14.7
243.13922	11.1
244.12463	8.5
245.13237	17.5
245.15445	10.7
247.11142	10.3
247.14935	7.9
249.12849	8.3
251.14359	20.3
253.12291	5.7
255.11781	6.3
256.12558	7.7
257.13251	14.4
257.15689	5.4
258.13928	10.3
259.11108	8.7
259.14905	13.2
261.12665	12.8
262.13541	5.6
265.12372	5.8
267.11728	5.4
269.13239	14.3
270.13953	9.0
271.14844	15.0
272.15833	5.6
273.12546	7.6
273.16595	11.7
275.14246	6.0
279.13901	7.9
281.11786	5.0
282.14108	8.2
283.14871	8.7
284.15372	6.9
285.12622	8.5
285.16229	6.2
286.13620	6.1
287.14441	5.7
287.17966	10.7
289.12085	5.7
289.15576	5.7
291.13498	5.5
295.13391	7.5
299.14212	6.7
301.15891	14.0
303.17368	8.4
305.15411	7.7
314.12891	5.2
315.13879	9.2
315.17322	15.1
319.13351	7.4
319.16904	13.3
321.18454	9.3
328.14346	6.0
329.11777	5.1
329.15433	19.7
331.16858	14.5
333.18503	13.9
343.16754	26.0
345.14713	9.0
345.18527	13.2
347.16376	36.1
347.20111	9.4
349.14334	11.8
349.17957	14.0
359.16190	13.0
359.20258	7.9
361.18079	50.0
363.15833	8.9
365.17358	11.3
371.16516	17.9
373.18088	6.3
375.15485	6.4
375.19522	15.5
377.17279	6.4
379.19034	8.7
385.18005	7.3
389.17377	43.1
391.19284	8.3
393.20877	7.1
399.15994	5.3
403.18988	15.4
405.20929	9.8
407.18384	25.3
411.21414	6.2
417.16776	10.2
421.20007	27.8
428.78488	4.6
431.18176	6.2
435.17596	8.2
435.27014	8.9
439.21109	19.3
449.19565	15.4
453.22736	9.0
453.28339	6.4
465.23026	10.7
467.20728	20.1
483.23761	9.6
485.21545	20.8
545.23547	7.3
613.26678	6.1
631.28632	19.0
647.12994	5.2
649.08624	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	631.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
55.01883	16.9
55.05268	4.4
55.05515	65.5
58.83580	2.6
58.93871	2.6
60.91082	2.5
64.93969	3.0
65.03922	4.4
67.05508	16.1
69.03429	6.6
69.84511	7.4
69.84918	8.9
79.05496	21.3
81.03415	15.3
81.07039	5.6
83.04990	100.0
91.05485	30.4
93.07037	12.5
95.01330	3.8
95.04976	56.7
95.08617	6.4
97.02894	5.0
97.06545	4.6
98.21420	4.1
103.03892	2.9
103.05459	10.4
105.07039	62.2
107.04931	13.6
107.08617	6.7
109.06495	13.7
111.04447	3.3
115.05466	15.3
117.06991	19.9
119.04958	8.4
119.08567	11.9
121.02885	5.2
121.06536	17.1
123.04446	5.2
123.08073	6.0
128.06204	10.7
129.07014	16.7
131.04906	11.3
131.08563	18.0
133.06508	54.7
133.10100	7.0
135.04385	8.6
135.08070	28.2
137.05972	8.3
139.03876	3.7
141.06973	12.2
142.07806	14.0
143.04834	2.9
143.08559	25.3
144.09244	4.4
145.01567	2.9
145.06476	34.7
145.10146	16.0
147.04390	7.2
147.08052	18.4
149.05989	6.6
151.07529	5.2
152.06276	3.9
153.06963	7.0
154.07770	11.1
155.05949	2.9
155.08548	8.4
156.09349	8.9
157.06493	11.1
157.10165	22.0
158.07275	5.0
159.04391	3.9
159.08089	29.7
159.11676	10.1
161.06003	97.4
161.09602	10.5
162.06703	3.6
163.07562	33.5
165.07008	9.5
166.07771	5.2
167.08582	7.6
169.06482	11.3
169.10104	23.6
170.10922	9.2
171.08076	25.1
171.11699	7.0
172.08846	9.7
173.05959	12.0
173.09621	32.7
175.07523	9.6
175.11180	3.8
177.09132	6.9
179.07050	10.3
179.08582	7.9
180.09340	4.3
181.06467	7.3
181.10141	4.7
182.07256	10.3
183.07982	14.4
183.11688	3.3
184.08795	7.4
185.05945	12.0
185.09605	19.8
187.07541	25.7
187.11227	15.3
189.05447	6.8
189.09102	12.7
193.10159	3.9
195.08118	14.3
195.11725	3.7
195.36081	3.5
196.08807	7.8
197.05995	5.4
197.09639	47.6
198.06822	3.5
198.10423	6.3
199.07523	31.9
199.11183	19.1
200.08290	6.2
201.05470	6.6
201.09134	21.1
202.07829	3.8
203.07042	7.7
203.10652	7.0
205.08534	6.9
207.08125	6.7
209.05968	9.6
209.09619	11.7
210.10385	3.3
211.07542	11.5
211.11177	8.8
212.59544	3.0
213.05556	5.9
213.09154	38.7
213.12569	4.9
215.07027	9.5
215.10635	25.9
216.11432	5.0
217.08597	10.8
217.10420	4.5
217.12285	9.5
218.10938	3.5
221.09534	6.2
221.13266	4.2
223.07565	12.1
223.11182	9.8
225.05461	10.4
225.09135	29.9
227.07040	10.1
227.10661	8.8
229.08565	8.6
229.12193	6.0
231.10159	9.9
233.09764	4.3
234.10442	4.5
235.11435	4.0
237.09114	7.7
239.06935	4.2
239.10692	8.0
241.08626	39.4
241.12279	3.5
243.06564	9.1
243.10069	33.5
245.08037	9.8
245.11671	3.9
247.09644	10.6
249.09122	5.5
249.12537	3.6
251.07103	4.9
253.08696	9.8
255.10223	9.4
257.08069	79.9
257.11206	4.7
259.09595	47.1
261.11298	3.0
267.10141	11.1
269.08051	5.3
271.09473	15.6
273.11377	6.7
275.09241	4.9
275.12817	3.5
277.12201	4.4
283.09576	4.4
285.11218	38.6
301.10730	40.2
303.12259	66.5
315.13657	4.2
317.15149	3.1
319.11768	23.9
325.11942	3.0
327.13617	4.2
329.15326	4.6
331.13235	6.8
339.13535	5.3
343.12427	4.0
347.16049	4.4
357.14682	4.0
359.12344	4.3
367.13504	3.5
373.14404	6.4
375.15665	10.7
385.14523	8.7
389.13934	4.0
391.15503	6.4
395.18356	6.0
401.16208	29.9
403.15118	21.9
409.16531	3.6
419.14767	8.8
421.16367	18.4
431.14813	11.0
433.16455	5.8
435.18198	6.4
439.17682	15.7
445.16541	11.7
449.15994	17.5
451.17383	13.2
453.18820	6.4
455.16885	7.4
463.17542	46.7
467.16641	11.4
469.18680	24.5
477.66388	2.8
481.18591	93.1
499.19635	70.4
503.20850	3.6
535.23218	6.2
539.22400	12.2
563.22693	21.2
567.22198	4.4
581.23914	30.5
599.24396	12.7
631.27325	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	631.2743
Annotation	Humilinolide B
Peak:m/z	Relative Intensity
53.03936	8.5
55.01862	9.7
55.05526	20.0
55.53951	3.4
57.07064	5.0
65.03932	5.7
67.05490	13.0
69.03413	11.7
69.07058	6.4
71.55165	6.1
79.05495	32.7
79.84706	3.3
81.03416	4.9
81.07069	22.5
83.04976	17.2
86.03275	3.4
91.05483	52.6
93.07043	34.7
94.04729	3.9
95.04974	41.3
95.08592	20.9
97.06523	11.6
97.26524	3.7
103.05476	26.9
105.03362	6.5
105.07032	59.0
107.04949	12.3
107.08607	26.7
109.06522	18.2
109.10170	4.2
109.84815	4.3
112.43417	3.8
115.05446	15.3
117.07011	33.0
117.46557	3.6
119.04935	7.1
119.08591	100.0
121.06475	20.9
121.10156	19.1
123.04448	4.0
123.08066	8.2
128.06215	13.9
129.06992	16.9
131.04929	50.6
131.08568	36.2
133.06468	20.0
133.10130	39.0
135.08064	28.8
135.11676	3.9
141.06972	10.2
142.07780	19.6
143.08551	42.2
145.06458	18.1
145.10127	30.8
147.08017	27.7
147.11624	6.7
149.05927	5.4
149.09628	40.7
151.07532	4.6
153.06975	6.2
154.07758	4.4
155.08562	20.8
156.09384	23.8
157.06435	7.1
157.10144	80.0
158.10866	4.9
159.08055	22.7
159.11684	35.7
161.06027	18.5
161.09641	18.2
163.07494	11.6
163.11240	4.6
165.06992	7.9
165.09142	7.1
166.07722	4.9
167.08540	10.7
168.09395	7.8
169.10112	44.6
170.10941	17.8
171.08044	17.2
171.11696	72.0
172.08801	4.5
173.09648	29.2
173.13271	12.2
175.07550	11.2
175.11104	5.2
177.09174	10.6
178.07742	4.6
179.07056	6.4
179.08528	14.4
179.10539	5.5
180.09439	9.4
181.06567	5.3
181.10068	20.5
182.10992	5.9
183.08018	7.4
183.11697	96.4
184.12408	7.3
185.09650	17.9
185.13290	39.8
186.10410	4.5
187.07445	4.5
187.11182	19.0
189.05493	7.5
189.09044	6.5
191.07037	5.7
191.10663	7.0
192.09387	9.0
193.08592	7.6
193.10135	24.4
193.12224	12.9
194.10857	7.4
195.11664	23.8
196.08896	5.6
196.12445	6.4
197.09610	23.9
197.13269	18.4
199.07571	6.6
199.11171	25.7
201.09070	8.9
201.12741	21.1
203.08665	7.5
203.10640	6.6
204.09430	5.8
205.08394	6.2
205.10098	10.7
205.12073	4.2
206.10915	20.2
207.11722	38.7
208.12456	15.4
209.09590	11.7
209.13275	20.3
210.10393	6.3
210.14055	4.3
211.11151	30.3
211.14813	7.3
213.09100	8.9
213.12772	41.6
215.08687	7.5
215.10664	8.4
216.09235	4.4
217.10135	17.9
217.12286	12.5
218.10849	19.0
219.09882	4.0
219.11757	19.8
219.96877	4.1
220.12457	20.6
221.09795	7.9
221.13283	48.2
222.10422	6.8
222.13977	10.1
223.11203	8.5
223.14816	18.6
225.12721	8.8
227.10637	8.0
229.10081	14.1
229.12239	20.4
230.10902	14.4
231.11659	34.0
231.13803	11.4
232.12485	23.4
233.09682	7.0
233.13326	29.4
233.15283	7.8
234.10280	5.3
234.14017	10.0
235.11118	15.1
235.14838	32.2
237.09090	4.8
237.12750	10.4
237.16379	9.8
238.13464	4.2
239.14238	9.0
241.10141	6.0
241.12309	7.3
242.11041	5.4
243.11632	17.1
243.13795	13.7
244.12511	20.6
245.13411	37.3
245.15465	11.7
246.10345	6.1
246.14006	28.8
247.11108	13.8
247.14894	38.9
248.11914	7.1
248.15610	5.0
249.12737	12.5
249.16382	15.1
250.13713	4.8
251.14342	13.3
253.12483	5.1
253.15817	6.0
255.11612	10.7
255.13960	6.8
256.12476	10.5
257.13174	15.0
258.14011	18.9
259.11108	8.5
259.15036	29.2
260.11920	8.1
260.15588	16.3
261.12668	12.8
261.16632	35.2
262.13489	6.1
263.14395	10.6
265.12219	5.5
265.16064	5.5
267.11520	6.8
268.12354	5.2
269.13257	11.2
270.14133	9.4
271.11032	4.4
271.14920	10.9
272.11938	8.1
272.15457	5.5
273.12454	10.3
273.14841	10.5
273.16422	7.5
274.13391	10.2
275.14655	21.1
275.17587	18.6
277.12274	6.8
277.15704	9.2
279.13678	6.2
279.17407	6.4
281.15381	6.1
283.14667	6.3
284.12323	4.1
284.15726	8.0
285.16336	11.4
286.13474	9.5
287.14233	18.0
287.17484	6.8
288.15045	13.8
289.15778	17.4
289.19095	4.0
291.17310	5.2
293.15350	7.5
299.17810	9.9
300.14981	4.7
301.12473	7.8
301.15826	18.7
302.16638	6.6
303.14008	8.0
303.17374	28.0
305.15308	12.0
305.18604	6.4
307.16876	10.2
310.13361	6.1
313.12277	4.3
313.15811	8.8
314.13126	4.9
315.13593	11.9
315.17413	14.1
317.15240	9.5
317.18961	28.5
319.17026	18.3
319.20184	5.9
321.14975	7.4
321.18478	32.5
322.15091	4.5
327.13840	5.0
327.17459	9.7
329.15213	13.6
330.16296	5.0
331.16867	19.2
333.14725	9.0
333.18439	15.2
335.16324	9.0
335.19983	6.1
339.19449	5.1
341.15210	5.8
343.16888	29.1
345.18433	28.9
347.16296	39.4
349.14218	5.0
349.17935	26.9
355.16666	4.9
359.16302	15.0
359.20279	6.3
361.17969	75.8
363.15677	12.5
363.19562	13.7
365.17438	34.6
367.19028	8.5
371.16595	19.2
373.17801	21.4
375.15457	6.5
377.17224	10.6
377.21051	11.9
379.19116	37.3
389.17459	51.3
391.18988	15.7
393.16608	8.3
401.17166	8.0
403.18924	13.3
405.20465	12.8
407.18457	52.9
409.20230	9.2
411.21857	6.1
417.16782	7.9
419.18384	10.3
421.20084	40.5
423.21521	13.3
425.19540	16.8
433.20145	10.3
435.18115	10.8
437.19510	5.2
439.21179	26.4
449.19400	10.8
451.20941	12.4
457.22144	5.4
465.22913	6.5
467.20590	18.8
483.23615	10.3
485.21594	10.8
539.22302	7.4
613.27112	4.2
647.83301	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	631.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.4
53.70681	5.0
55.01866	11.7
55.05511	53.9
59.04988	4.2
67.05508	12.6
69.03435	7.8
69.23189	42.4
76.82921	4.1
79.05487	19.9
81.03403	12.1
81.07034	10.9
83.04981	100.0
91.05484	31.2
93.03430	4.9
93.07040	14.6
95.01320	5.7
95.04958	60.4
95.08601	10.7
97.02863	4.9
103.05470	15.2
105.03407	9.2
105.07034	51.4
107.04944	7.9
107.08598	11.6
109.06520	12.7
111.04472	4.0
114.26646	4.0
115.05473	15.1
117.07017	21.0
119.04904	11.2
119.08604	21.3
121.06515	12.6
121.10144	6.1
123.04440	5.9
123.08076	10.4
125.06002	8.2
128.06253	8.0
129.07002	12.7
131.04942	33.8
131.08585	16.3
133.06497	49.5
133.10129	16.3
135.04390	5.5
135.08037	24.8
137.05989	11.9
141.06990	11.8
142.07793	13.2
143.08531	25.6
145.06490	27.6
145.10129	16.0
147.04398	8.6
147.08066	17.0
149.05978	8.5
149.09610	5.2
151.07524	7.0
153.06947	7.4
154.07817	9.3
155.08537	16.0
156.09372	11.4
157.06520	11.3
157.10143	27.9
159.08066	25.9
159.11632	9.4
161.05986	90.9
161.09641	13.6
162.06451	5.2
163.07565	35.0
165.05492	4.2
165.07034	6.8
167.07182	6.0
167.08556	7.9
169.06470	14.6
169.10220	21.6
170.10921	14.2
171.07999	22.5
171.11674	21.4
172.08810	6.9
173.05998	13.8
173.09645	26.7
174.12810	4.5
175.07552	9.4
175.11272	6.4
177.09120	8.9
179.07059	9.5
179.08536	7.1
179.77397	4.3
180.09344	4.7
181.10141	5.3
182.07268	12.5
183.08089	13.7
183.11696	16.1
184.08798	6.3
184.12247	5.2
185.05952	10.5
185.09584	20.3
185.13309	14.0
186.10555	6.9
187.03816	4.8
187.07684	21.3
187.11191	18.4
189.09103	12.6
195.08109	12.0
195.11739	11.5
196.08934	5.4
197.09619	32.9
198.10312	5.8
199.07578	27.4
199.11180	26.9
201.05400	5.4
201.09157	17.2
203.08789	5.0
203.10626	6.6
205.08589	8.9
206.11072	4.5
207.08208	5.4
207.11804	5.9
209.06068	8.5
209.09674	6.6
211.07510	10.0
211.11148	6.6
213.09134	27.2
213.12790	19.8
215.07115	13.5
215.10640	21.9
217.08495	9.0
217.12148	10.7
219.10008	5.5
223.07558	9.7
223.11206	9.0
225.09123	25.3
225.12624	5.8
227.06978	8.5
227.10707	7.8
229.08553	10.7
229.12148	7.8
231.10153	11.6
233.09598	8.4
235.07535	4.8
235.14938	5.9
237.09116	10.1
239.10789	6.5
241.08549	37.0
243.10040	32.3
245.07802	6.5
249.09085	5.3
251.10680	6.7
253.08499	8.4
253.12321	6.5
255.10173	10.4
257.08041	53.5
257.10870	4.3
257.11728	5.2
259.09534	49.5
263.10843	5.7
267.10025	6.4
273.11200	8.8
273.14761	5.0
275.09125	6.0
276.11469	4.6
277.94540	3.9
283.09714	6.3
285.11234	38.0
287.14117	4.1
301.10818	37.6
303.12323	64.2
305.15164	6.2
319.11777	19.7
319.16891	5.3
331.16998	10.0
342.12717	5.2
347.16299	7.1
359.16049	6.0
375.15649	6.5
385.14197	7.6
395.18213	10.3
401.16037	31.0
403.15082	21.8
405.20853	7.0
419.14801	9.5
421.16470	12.8
431.14941	6.6
437.16324	4.8
439.17422	15.9
445.16522	16.1
449.15851	11.3
451.17468	11.5
455.16721	4.9
463.17456	40.0
467.16855	13.7
469.18713	24.4
481.18582	93.1
499.19666	71.0
503.20764	5.0
535.24219	4.8
539.22693	14.4
563.22852	16.0
581.23779	29.8
590.28967	4.5
599.24756	15.8
613.25970	5.9
631.25330	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	631.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.4
53.70681	5.0
55.01866	11.7
55.05511	53.9
59.04988	4.2
67.05508	12.6
69.03435	7.8
69.23189	42.4
76.82921	4.1
79.05487	19.9
81.03403	12.1
81.07034	10.9
83.04981	100.0
91.05484	31.2
93.03430	4.9
93.07040	14.6
95.01320	5.7
95.04958	60.4
95.08601	10.7
97.02863	4.9
103.05470	15.2
105.03407	9.2
105.07034	51.4
107.04944	7.9
107.08598	11.6
109.06520	12.7
111.04472	4.0
114.26646	4.0
115.05473	15.1
117.07017	21.0
119.04904	11.2
119.08604	21.3
121.06515	12.6
121.10144	6.1
123.04440	5.9
123.08076	10.4
125.06002	8.2
128.06253	8.0
129.07002	12.7
131.04942	33.8
131.08585	16.3
133.06497	49.5
133.10129	16.3
135.04390	5.5
135.08037	24.8
137.05989	11.9
141.06990	11.8
142.07793	13.2
143.08531	25.6
145.06490	27.6
145.10129	16.0
147.04398	8.6
147.08066	17.0
149.05978	8.5
149.09610	5.2
151.07524	7.0
153.06947	7.4
154.07817	9.3
155.08537	16.0
156.09372	11.4
157.06520	11.3
157.10143	27.9
159.08066	25.9
159.11632	9.4
161.05986	90.9
161.09641	13.6
162.06451	5.2
163.07565	35.0
165.05492	4.2
165.07034	6.8
167.07182	6.0
167.08556	7.9
169.06470	14.6
169.10220	21.6
170.10921	14.2
171.07999	22.5
171.11674	21.4
172.08810	6.9
173.05998	13.8
173.09645	26.7
174.12810	4.5
175.07552	9.4
175.11272	6.4
177.09120	8.9
179.07059	9.5
179.08536	7.1
179.77397	4.3
180.09344	4.7
181.10141	5.3
182.07268	12.5
183.08089	13.7
183.11696	16.1
184.08798	6.3
184.12247	5.2
185.05952	10.5
185.09584	20.3
185.13309	14.0
186.10555	6.9
187.03816	4.8
187.07684	21.3
187.11191	18.4
189.09103	12.6
195.08109	12.0
195.11739	11.5
196.08934	5.4
197.09619	32.9
198.10312	5.8
199.07578	27.4
199.11180	26.9
201.05400	5.4
201.09157	17.2
203.08789	5.0
203.10626	6.6
205.08589	8.9
206.11072	4.5
207.08208	5.4
207.11804	5.9
209.06068	8.5
209.09674	6.6
211.07510	10.0
211.11148	6.6
213.09134	27.2
213.12790	19.8
215.07115	13.5
215.10640	21.9
217.08495	9.0
217.12148	10.7
219.10008	5.5
223.07558	9.7
223.11206	9.0
225.09123	25.3
225.12624	5.8
227.06978	8.5
227.10707	7.8
229.08553	10.7
229.12148	7.8
231.10153	11.6
233.09598	8.4
235.07535	4.8
235.14938	5.9
237.09116	10.1
239.10789	6.5
241.08549	37.0
243.10040	32.3
245.07802	6.5
249.09085	5.3
251.10680	6.7
253.08499	8.4
253.12321	6.5
255.10173	10.4
257.08041	53.5
257.10870	4.3
257.11728	5.2
259.09534	49.5
263.10843	5.7
267.10025	6.4
273.11200	8.8
273.14761	5.0
275.09125	6.0
276.11469	4.6
277.94540	3.9
283.09714	6.3
285.11234	38.0
287.14117	4.1
301.10818	37.6
303.12323	64.2
305.15164	6.2
319.11777	19.7
319.16891	5.3
331.16998	10.0
342.12717	5.2
347.16299	7.1
359.16049	6.0
375.15649	6.5
385.14197	7.6
395.18213	10.3
401.16037	31.0
403.15082	21.8
405.20853	7.0
419.14801	9.5
421.16470	12.8
431.14941	6.6
437.16324	4.8
439.17422	15.9
445.16522	16.1
449.15851	11.3
451.17468	11.5
455.16721	4.9
463.17456	40.0
467.16855	13.7
469.18713	24.4
481.18582	93.1
499.19666	71.0
503.20764	5.0
535.24219	4.8
539.22693	14.4
563.22852	16.0
581.23779	29.8
590.28967	4.5
599.24756	15.8
613.25970	5.9
631.25330	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	631.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	2.8
52.69842	2.6
53.03941	10.5
55.01861	7.0
55.05502	5.3
61.62570	2.2
61.71513	2.3
67.05502	9.2
67.41333	2.2
69.03444	3.1
69.07100	3.0
71.04996	29.9
79.05487	14.5
81.03428	14.9
81.07068	6.8
82.70970	2.2
83.04987	7.1
91.05493	22.2
93.07044	10.3
95.04984	20.4
95.08616	8.6
97.06532	4.7
97.53596	2.3
99.04480	13.6
103.05476	46.9
105.07043	29.3
107.04957	5.3
107.08582	5.7
109.06515	9.8
115.05466	10.7
117.07050	14.5
119.04949	4.0
119.08601	17.0
121.02871	5.3
121.06503	8.3
123.04472	3.2
123.08065	6.0
128.06239	7.6
129.07043	12.7
130.07863	3.2
131.04942	100.0
131.08585	21.8
133.06511	21.9
133.10139	10.5
135.04414	3.4
135.08054	3.8
137.05980	6.1
139.03952	2.5
141.06947	5.4
142.07816	4.6
142.54073	2.3
143.08598	18.9
145.06453	14.1
145.10123	10.7
147.08067	24.3
149.05966	7.0
151.07469	6.2
153.07040	3.4
154.07790	3.6
155.07359	2.2
155.08569	9.0
156.09328	10.3
157.06453	7.7
157.10124	14.6
158.07216	6.0
159.04382	2.8
159.08057	23.5
159.11736	7.8
161.06010	40.0
161.09624	18.0
163.07574	10.3
165.05489	3.1
165.06981	5.1
166.07799	5.0
167.08553	5.2
169.06494	6.7
169.10143	13.0
170.10896	4.2
171.08040	11.7
171.11702	26.1
173.05977	6.6
173.09644	12.8
173.13309	4.2
175.07564	10.4
179.07039	8.1
179.08569	6.9
181.10068	5.7
183.08086	5.9
183.11711	7.7
184.08847	4.2
185.06100	6.3
185.09665	16.8
185.13310	9.8
187.07556	10.4
187.11151	6.2
189.09116	6.9
195.08058	2.7
195.11761	4.8
197.09636	16.3
197.13292	6.1
198.10381	2.8
199.07561	8.4
199.11163	29.4
201.09148	6.8
201.12804	13.9
207.11668	4.7
209.09624	8.0
211.11211	7.6
213.05489	3.3
213.09172	11.9
213.12752	11.3
215.10658	6.1
217.08638	11.2
217.12201	4.8
219.11835	3.6
223.07671	4.1
223.11214	6.6
225.09071	10.3
225.12845	2.7
227.07120	3.3
227.10664	24.6
229.12228	5.7
231.13838	6.4
237.09061	3.1
237.12889	3.5
239.10675	3.0
241.08574	4.0
241.12364	4.9
243.10223	7.9
245.08044	33.8
245.11665	4.7
251.10728	4.8
253.08543	3.4
255.10062	5.4
255.13928	3.1
257.07935	3.2
257.11722	4.6
259.13342	7.3
261.12918	3.0
263.10684	3.5
277.14520	4.7
281.11789	4.8
285.11252	6.1
287.12833	20.9
303.12271	9.8
305.13995	3.3
331.16849	5.4
341.14822	3.2
341.18973	3.7
342.14725	3.0
343.15497	7.0
345.18698	3.5
359.16388	3.2
371.14856	5.3
387.15549	6.8
387.19525	10.1
401.16022	26.6
403.17517	64.5
405.20758	8.4
419.17477	8.5
423.21918	9.7
433.30807	3.0
437.19659	3.5
447.17908	10.7
457.18832	12.6
465.18362	12.2
475.20245	3.8
483.19919	9.0
495.23853	12.8
535.23187	4.3
563.22632	18.3
569.23993	13.1
581.24072	28.3
599.24640	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	631.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.4
53.03942	4.7
55.01867	4.9
55.05503	9.1
56.10003	2.6
67.05495	7.2
69.03430	11.2
71.55828	3.2
79.05493	10.3
81.03410	5.5
81.07056	7.2
83.04971	10.9
86.23680	2.1
87.81837	2.5
91.05480	21.4
93.07043	14.1
95.04973	17.7
95.08624	9.7
97.06553	3.5
103.05468	56.7
105.03367	4.8
105.07033	19.0
107.08585	7.6
109.02826	4.1
109.06522	4.8
109.10172	2.9
110.62392	2.4
111.04449	3.0
113.73665	2.2
115.05483	3.5
117.07027	10.0
119.04874	3.1
119.08595	27.8
121.06495	8.5
121.10107	5.2
123.08083	17.3
125.05930	2.4
128.06259	5.4
129.07002	7.5
131.04930	100.0
131.08629	11.8
131.72389	2.2
132.05290	2.6
133.06480	9.0
133.10129	14.1
133.37682	2.4
135.08069	9.4
141.06970	3.4
142.07773	7.7
143.08568	16.5
145.06502	7.9
145.10136	10.8
147.08006	13.3
149.05971	2.7
149.09616	8.4
151.07593	2.6
155.08543	11.5
156.09341	8.4
157.06447	3.1
157.10146	28.2
158.07246	2.7
159.08029	13.7
159.11693	12.2
160.09067	2.5
161.05977	7.4
161.09648	8.9
163.07541	7.2
165.07028	3.4
167.08629	4.2
168.09378	4.6
169.10130	22.5
170.10861	8.5
171.08075	6.1
171.11710	21.4
173.09590	12.1
175.07539	4.0
177.09039	4.1
179.07109	3.5
179.08553	9.0
180.09320	4.6
181.10121	9.9
182.10840	4.1
183.08095	6.3
183.11693	41.7
184.12442	9.4
185.09659	7.3
185.13258	12.4
187.11200	8.7
189.09061	2.5
191.08511	4.1
192.09366	5.2
193.10141	16.6
194.10863	6.7
195.08089	4.1
195.11652	14.0
196.12473	3.5
197.09616	5.7
197.13231	5.6
198.10373	6.3
199.11180	7.4
201.09145	4.3
201.12732	7.4
203.08653	3.4
204.09343	2.5
205.10118	6.4
206.10953	9.5
207.11688	22.2
208.12450	10.5
209.09665	2.8
209.13240	21.1
210.10318	3.4
211.11191	9.9
213.12827	11.3
215.10661	3.3
217.10153	9.7
217.12082	3.1
218.10910	7.1
219.11679	10.0
220.12398	11.8
221.13257	18.6
222.10492	3.1
222.14008	7.3
223.11227	9.5
223.14755	21.1
224.15633	18.8
225.12776	7.9
227.10716	3.1
229.10179	5.3
229.12274	5.3
230.10840	6.9
231.11766	14.2
231.74388	2.7
232.12428	12.2
233.09637	5.2
233.13313	15.6
234.10306	4.0
234.13972	5.7
235.11116	4.5
235.14810	15.7
236.15625	3.2
237.12758	9.6
237.16359	11.9
238.13542	2.8
242.10931	2.8
243.11667	11.4
243.13838	7.3
244.12479	7.6
245.13446	13.0
245.15494	4.4
246.10385	2.9
246.13971	12.3
247.11162	7.7
247.14818	17.5
248.11935	2.7
248.15578	4.3
249.12775	10.9
249.16415	13.0
250.13567	4.4
251.14313	8.3
252.14896	2.7
256.12228	3.1
257.13086	7.3
258.14014	7.3
259.11099	4.7
259.15024	16.8
260.11740	3.7
260.15671	4.6
261.12808	6.8
261.16498	19.0
262.13440	3.3
263.10495	3.0
263.14340	11.7
263.17920	7.4
265.12186	2.8
265.15887	11.0
267.13861	6.3
269.13181	3.8
270.13983	4.9
271.14737	4.9
272.11841	5.3
273.12662	6.9
273.16904	4.9
274.13275	3.0
275.14307	8.4
275.17685	4.0
276.15277	2.8
277.15811	9.8
279.13962	3.7
279.17419	11.6
281.15399	4.5
283.14557	3.1
285.12759	4.4
286.13474	4.3
287.14255	11.0
287.17511	4.4
289.15866	8.2
289.19150	3.3
291.13864	3.4
291.17380	6.7
293.15488	5.1
295.16956	12.7
301.15863	7.5
303.13782	4.9
303.17419	6.9
305.15417	4.1
307.16974	9.2
315.17459	5.2
317.15231	6.0
317.19107	6.9
319.16943	10.5
321.15015	3.5
321.18521	7.0
323.16339	5.2
331.16992	5.7
331.35788	2.8
333.18555	4.7
335.16391	3.9
337.17917	12.3
343.16974	5.0
345.14862	3.7
345.18588	8.7
347.16376	8.1
349.17944	6.5
353.17447	3.4
357.18509	3.9
361.17966	14.1
363.15811	6.6
363.19751	4.3
365.13629	3.8
365.17508	32.3
367.15381	23.9
371.16235	4.0
375.19745	3.3
377.21365	4.3
379.19012	52.3
381.16925	10.1
387.19458	8.9
389.17392	17.2
391.19440	3.8
393.16763	9.4
403.19131	3.5
405.20566	8.0
407.18442	47.3
409.15750	3.6
411.17926	2.8
417.16962	7.1
421.20087	5.1
423.22177	3.1
425.19629	54.2
433.19910	3.8
435.17734	11.9
439.21106	5.2
441.19070	4.2
449.19757	4.1
451.20859	9.0
453.18991	8.5
467.20908	17.0
485.21597	10.7
531.25677	5.7
539.22876	3.4
573.24670	3.7
614.30664	3.1
631.25970	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	631.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01868	2.9
55.05511	3.8
67.05508	2.2
69.03438	2.1
69.07057	1.3
69.21818	2.0
69.22218	9.6
77.03947	1.7
79.05500	7.1
81.03413	2.3
81.07050	4.3
83.04989	6.7
83.42236	1.3
87.60821	1.3
91.05483	12.3
93.07053	5.7
94.04182	1.0
95.04978	7.2
95.08595	2.8
97.06509	1.4
98.67641	1.3
99.62767	1.2
103.05476	56.5
105.03410	2.9
105.04514	1.6
105.07043	14.0
107.04961	3.7
107.08573	3.8
109.06493	2.5
115.05486	3.5
116.06291	1.3
117.07039	5.9
118.07278	1.2
119.04935	1.3
119.08593	13.4
121.06514	4.5
121.10195	1.7
123.08136	1.7
125.05947	1.1
128.06227	4.9
129.06992	5.4
131.04936	100.0
131.08569	10.4
133.06494	4.9
133.10118	7.2
135.04382	1.4
135.08073	3.9
137.06004	1.4
137.09702	1.2
141.07001	4.6
142.07782	3.8
143.08575	11.4
145.06508	4.8
145.10152	6.8
147.08093	8.6
149.05978	3.9
149.09645	2.3
151.07556	1.6
153.05565	1.8
153.06868	1.6
154.07635	1.2
155.08568	5.7
156.09354	4.4
157.06522	1.9
157.10135	8.7
159.08070	10.7
159.11688	3.3
161.06017	6.7
161.09653	6.5
163.07498	5.1
163.11195	1.2
165.06995	2.3
167.08549	2.9
169.06429	1.2
169.10179	6.9
170.10930	3.6
171.08066	5.4
171.11723	11.8
172.08789	2.1
172.12111	1.2
173.06059	1.2
173.09604	7.7
175.07571	3.9
175.11200	1.7
177.05467	3.9
177.09114	2.0
179.07069	3.0
179.08597	3.6
181.10114	4.7
183.08073	3.7
183.11684	8.9
184.12091	1.2
185.09599	5.5
185.13297	7.8
186.13637	1.7
187.07533	9.5
187.11171	2.9
189.05513	1.7
189.09134	3.9
191.10703	1.4
193.08580	2.0
193.10194	3.4
195.08073	1.7
195.11716	4.6
196.08904	1.5
197.09669	4.9
197.13284	4.2
198.06833	1.9
198.10349	1.4
199.07617	4.7
199.11162	6.9
200.11867	1.3
201.09200	3.3
201.12743	3.2
202.13069	1.2
203.06964	2.3
203.10677	2.3
204.09451	1.5
205.08560	2.8
206.10910	3.1
207.11739	4.4
209.09584	2.8
209.13217	3.4
210.10461	1.3
211.07518	1.4
211.11194	5.1
212.08401	1.5
213.09195	2.8
213.12711	8.1
214.13132	1.8
215.10635	2.4
217.08557	8.5
217.10399	1.9
218.10880	2.4
219.06543	1.5
219.11879	2.2
220.12514	2.0
221.13295	2.9
223.11206	3.8
223.14827	2.1
225.09059	3.6
227.07005	2.4
227.10643	6.1
229.08434	1.4
229.10326	1.7
229.12236	2.9
230.10884	2.8
231.11926	2.8
232.12500	2.4
233.13368	2.2
235.11169	3.3
235.14871	1.6
237.09201	1.5
237.12703	2.2
239.10631	2.7
241.08475	5.7
241.12312	2.4
243.10181	4.6
243.13901	1.8
244.12482	2.6
245.08055	5.3
245.11470	2.3
245.13501	2.4
245.15457	1.8
246.14044	1.5
247.09325	1.9
247.11485	1.5
247.14893	3.4
248.11957	1.8
249.12924	2.3
251.10693	1.9
251.14500	1.4
253.08490	1.6
253.12206	1.5
255.11784	2.7
255.14052	2.1
256.12445	3.0
257.13187	4.1
258.13965	2.0
259.11276	2.0
259.15048	1.8
260.12082	1.3
260.15585	2.2
261.16403	2.2
262.13489	1.7
263.10712	1.9
263.14383	1.4
265.12122	1.3
267.11569	1.4
270.14020	2.0
271.14828	1.8
272.15323	1.5
273.15085	1.5
273.16708	1.8
275.14432	2.2
276.14969	2.1
284.12076	1.7
285.16086	1.5
286.13605	1.7
287.14340	2.2
288.14893	1.2
289.12265	1.3
289.15720	3.2
291.13477	2.0
293.15604	2.0
299.14044	1.2
301.12338	1.4
301.15829	2.4
303.17242	1.4
313.15802	1.8
315.13712	3.2
317.15308	2.4
319.17056	1.7
327.13693	2.0
329.15341	3.3
331.17004	5.7
331.20477	1.3
335.16272	1.6
341.15158	2.6
343.16745	1.5
345.14713	2.7
345.18469	2.4
347.16504	2.8
349.17981	3.4
355.16953	1.3
357.14801	2.0
359.16418	5.9
361.17999	2.1
363.15768	2.4
363.19693	2.7
369.14719	2.6
373.17975	5.2
375.15536	2.4
377.17276	7.6
387.15631	5.5
391.19183	2.6
393.19983	1.7
401.17200	2.3
403.15176	2.5
405.16721	4.1
405.21194	2.6
415.15274	4.5
419.18567	3.5
423.22092	2.1
433.15402	1.9
433.20245	5.2
447.18008	5.3
451.21085	5.4
465.19083	21.4
469.21759	1.5
483.20230	15.4
511.23325	2.2
613.24084	1.8
631.25415	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	631.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.5
51.02393	0.9
53.03940	1.9
54.30148	0.5
55.01865	1.3
55.05506	1.8
56.22334	0.5
58.75241	0.4
67.05507	1.1
69.03416	0.8
79.05492	1.9
81.03413	1.0
81.07044	1.5
83.04974	2.4
85.06535	0.5
91.05482	4.3
93.07045	3.0
95.04959	4.6
95.08617	1.1
102.04659	0.5
103.05474	47.0
104.05809	0.5
105.03383	1.2
105.04498	0.8
105.07037	6.7
107.04964	0.8
107.08585	1.6
109.06557	1.1
109.10158	0.6
115.05437	1.6
117.06993	2.5
119.04959	0.4
119.08586	3.4
121.06508	1.6
121.10175	0.8
123.08078	1.7
128.06223	2.0
129.07019	2.5
131.04935	100.0
131.08562	4.5
132.05301	1.4
133.06512	3.1
133.10153	1.2
135.08064	1.9
137.09563	0.7
141.07013	0.8
142.07793	1.4
143.08554	3.1
143.51532	0.4
145.06485	3.1
145.10130	2.1
145.78378	0.4
147.08051	3.1
149.09644	1.2
153.07051	0.7
154.07758	0.8
155.08592	1.3
156.05490	0.5
156.09364	0.9
157.06480	1.2
157.10141	3.2
158.07228	0.7
159.04515	0.5
159.08076	4.5
159.11678	1.6
161.05972	3.1
161.09634	1.9
163.07515	2.7
163.11171	0.6
165.07016	1.0
165.08942	0.4
166.07800	0.6
167.08554	1.3
169.06465	1.0
169.10130	2.9
170.10849	0.7
171.08081	2.2
171.11739	3.2
172.08737	0.7
173.06023	1.0
173.09651	2.0
175.07564	1.6
177.09143	0.7
179.08551	1.5
181.10146	1.3
183.08023	1.2
183.11705	3.7
184.08810	0.7
185.05875	1.1
185.09647	1.7
185.13301	1.0
187.07611	2.3
187.11273	1.4
189.05486	0.7
189.09113	1.4
191.10608	0.5
192.09343	1.0
193.10172	1.1
194.10942	0.6
195.08067	0.9
195.11723	1.5
196.12289	0.6
197.09596	2.8
197.12952	0.6
199.07599	1.0
199.11273	2.5
201.09161	1.3
201.12810	1.0
203.07048	0.7
205.08604	1.8
206.10977	0.6
207.11746	1.9
209.09663	2.8
211.11176	1.3
213.09148	1.7
213.12752	1.6
215.06908	0.8
215.10789	0.8
217.08394	2.3
217.10397	0.8
218.10789	0.8
221.09671	0.7
221.13251	1.0
223.11285	1.5
225.09108	2.2
227.10690	2.1
229.10228	0.9
229.12151	0.9
230.10931	1.1
231.09914	0.9
231.11960	1.2
232.12582	1.3
233.09846	0.7
233.13295	1.5
235.11339	1.0
235.14854	1.0
239.14273	0.5
241.12305	0.9
243.11871	0.7
243.13939	0.7
245.13322	1.1
247.09447	0.7
247.14850	1.3
249.09050	0.7
249.11081	0.9
249.13147	0.7
249.16283	0.6
251.10649	0.7
257.13452	0.6
259.11252	0.6
260.12015	0.8
261.12973	0.6
263.10617	0.6
263.14465	1.1
265.15866	0.8
273.12634	1.4
275.10876	0.5
275.14334	2.1
277.10699	0.7
277.12109	0.5
277.15982	1.1
285.12817	0.9
287.12851	2.1
289.12286	1.2
291.13828	1.7
293.15433	0.9
301.12201	0.8
303.13797	2.2
305.15051	0.9
307.16772	0.8
315.14047	0.6
317.15457	0.6
319.13168	0.7
321.14816	1.8
331.13266	1.1
331.16904	1.2
333.14630	0.8
335.16296	1.0
345.18527	0.9
349.14105	1.0
351.16229	0.9
353.16959	0.7
357.14902	0.6
359.16370	0.7
363.16016	0.8
373.17926	1.2
375.15668	0.8
381.16956	1.7
395.14722	0.7
405.16409	0.7
415.15253	0.6
423.21872	0.7
437.19217	0.6
447.18011	0.9
453.19321	0.5
465.19110	2.4
483.20258	3.0
571.23267	1.8
603.26257	0.7
631.25311	8.0
643.77936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01831	0.6
60.75027	0.6
69.03426	1.6
69.64165	3.7
71.12959	0.8
74.28348	0.6
82.99869	2.1
85.02902	1.1
86.58265	0.5
89.42712	0.5
97.02885	1.1
98.97560	0.9
101.00890	10.0
109.02885	1.0
113.00896	0.8
119.01929	10.4
122.61334	0.6
127.02422	3.0
131.01901	3.4
139.02451	1.0
141.04007	1.2
143.01894	20.6
144.45999	0.6
145.03484	7.5
149.90215	0.6
153.03987	0.8
155.01891	12.7
157.03470	3.5
159.05049	1.8
161.02975	13.8
163.04640	1.4
167.01906	8.4
167.05553	2.5
169.03458	30.7
171.05054	2.1
173.02974	9.9
175.04526	0.9
179.01894	3.6
181.03403	1.0
183.05023	1.3
185.02975	24.2
185.06590	15.0
187.04529	100.0
188.04640	1.7
190.98886	0.7
197.02962	9.2
197.06677	0.9
198.03143	0.9
199.04491	2.3
201.06116	2.5
203.03970	6.6
203.07628	1.8
205.05583	2.7
209.03009	1.2
210.06152	1.2
211.04510	0.9
213.06007	1.0
215.03990	6.8
217.05577	2.5
219.01860	0.8
221.03102	0.7
221.05023	2.8
227.03998	5.6
229.05588	53.2
240.94048	0.6
241.05479	1.1
243.07141	1.6
245.05089	56.6
246.05447	1.1
247.06616	7.0
257.05084	2.7
261.08221	2.5
263.06171	7.2
271.06662	4.7
275.06125	5.4
283.06818	0.7
289.07684	17.6
293.07092	1.4
305.07224	7.5
307.08752	14.8
313.07516	0.7
325.09872	1.4
331.08743	5.6
335.08176	2.6
347.08313	0.7
349.09818	63.2
350.10019	1.5
361.09781	14.2
365.09357	8.7
367.10764	1.7
373.09979	1.8
377.60434	0.7
379.10938	8.1
385.09772	0.7
391.10831	2.1
403.10950	1.8
409.11948	16.0
421.11649	0.8
425.11374	2.1
433.11963	5.7
451.13000	15.6
469.14063	9.4
511.14694	1.2
537.66107	0.8
541.16205	1.0
597.46674	0.7
631.19250	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.3
56.96572	1.5
57.03415	0.7
61.02901	1.0
69.03429	4.5
69.17657	2.9
70.03764	0.3
73.02894	0.6
79.73875	0.3
81.03392	0.9
82.99450	0.3
82.99864	1.4
83.74824	0.3
84.08117	0.6
85.02442	0.6
85.02910	7.1
86.99352	0.3
87.04462	0.4
87.58613	0.3
89.03898	0.7
91.03950	0.3
91.05431	0.4
94.99844	0.4
97.02366	0.4
97.02886	3.6
98.97587	5.5
99.04423	0.4
101.00882	7.8
102.96858	0.5
105.03373	0.4
109.01371	0.6
109.02860	1.3
110.97529	1.1
112.99093	0.4
113.00837	1.1
116.98613	1.8
117.03356	1.1
119.01932	11.2
119.04941	0.8
124.99088	0.9
125.05966	0.8
127.02423	2.3
127.03899	1.9
128.98575	1.0
129.00304	0.4
129.03989	0.4
131.00189	0.3
131.01918	2.9
132.97899	0.4
137.02994	0.7
137.05957	0.7
139.02399	0.6
141.03947	1.0
143.00264	2.0
143.01900	17.3
143.05522	0.8
145.02576	0.6
145.03415	5.3
145.04951	1.4
146.05281	0.4
146.99512	0.9
147.01378	0.8
147.04379	1.7
149.06010	0.7
153.03986	0.6
155.01906	9.5
157.03520	3.5
158.99657	2.8
159.05058	1.9
159.06190	0.4
161.01230	2.0
161.02965	14.4
161.08076	0.7
163.04509	0.9
164.04294	0.3
165.00514	0.4
167.01921	6.0
167.05554	2.1
167.06764	0.4
168.05235	0.3
169.03458	27.6
170.99666	0.9
171.01257	0.4
171.03711	0.3
171.05002	2.3
173.02974	12.6
173.04544	0.7
175.04507	0.9
177.00685	1.1
177.04063	0.6
177.05478	5.6
178.05905	0.4
179.01929	2.9
181.03398	0.4
181.04858	0.4
183.05019	1.2
184.04547	0.3
185.01266	1.5
185.02962	24.5
185.06583	14.7
187.04524	100.0
188.04713	1.1
189.00545	0.6
190.04916	0.7
191.03912	0.6
195.04973	0.3
197.01218	0.6
197.02965	8.6
197.04785	0.6
197.06557	0.6
198.02982	0.4
199.04532	2.2
200.04594	0.4
201.00690	0.9
201.06070	2.2
203.02232	1.6
203.04025	7.0
203.07629	1.8
205.00034	0.4
205.03894	0.5
205.05595	2.8
207.01576	0.5
209.02966	1.0
210.06152	2.1
211.04503	0.7
213.06133	0.8
215.04018	5.3
215.05838	0.6
215.07506	0.4
217.03920	0.5
217.05592	1.9
219.01770	3.5
220.02493	0.5
221.03154	1.0
221.05113	2.6
223.01096	0.9
223.04523	0.6
225.06175	0.4
227.04025	5.2
227.07608	0.4
229.05582	46.8
230.05717	1.0
237.02820	3.0
239.04163	0.5
241.01917	0.4
241.05638	0.8
243.07173	2.0
245.05086	53.7
246.05292	1.2
247.06689	7.5
253.05658	0.5
257.05051	2.9
258.98215	0.4
259.06726	0.6
261.02808	0.6
261.08249	2.7
263.03790	0.4
263.06192	6.5
270.08160	0.5
271.06610	5.1
272.06766	0.4
273.08243	0.6
275.06033	5.1
279.03937	0.8
281.05035	0.4
283.07294	0.4
284.06955	0.4
287.06226	0.3
287.09689	0.5
289.07706	16.9
293.07236	1.3
297.06732	0.5
297.56714	0.4
298.06644	0.6
299.06323	0.7
305.07361	4.9
307.08783	13.9
313.07947	0.4
323.06393	0.4
325.09760	0.8
327.06677	0.3
331.08765	4.1
335.08359	1.9
336.11020	0.4
337.07913	0.4
342.10742	1.3
342.60870	0.6
347.08298	0.6
349.09811	57.8
350.10110	0.9
361.09830	13.2
362.09888	0.5
365.09348	5.3
367.10928	1.6
373.09912	1.8
378.10251	0.3
379.10974	6.4
383.08029	2.2
385.09708	0.5
390.12622	0.4
391.10919	3.2
403.10776	1.3
409.11914	13.7
415.10718	0.4
421.11887	0.9
425.11697	2.1
433.11984	5.7
451.13004	13.3
458.12509	0.5
459.62943	0.8
469.14053	8.9
470.14935	0.7
470.65268	0.4
489.12534	0.4
511.15164	1.2
527.12573	0.6
541.16333	0.9
613.17578	0.4
631.19214	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	630.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44699	1.3
53.03952	1.2
55.05515	7.8
55.13462	1.2
57.07074	1.7
63.00350	1.4
67.05504	9.7
67.99557	1.1
69.07054	5.1
71.04984	1.5
75.72417	1.2
79.05512	10.5
81.03399	2.4
81.06584	2.7
81.07059	45.9
83.04974	5.5
83.08624	2.0
85.06551	2.7
89.05891	1.4
91.05482	9.8
93.07047	15.3
95.04958	1.5
95.08617	16.4
95.10040	1.3
98.21551	2.2
105.07031	15.5
107.08610	17.1
109.06518	20.1
109.10172	11.7
115.05505	1.3
116.07101	2.7
117.06975	4.8
119.08588	27.9
121.10151	13.9
123.08035	2.5
123.11695	6.5
129.06995	3.9
131.08563	9.7
133.10143	15.8
135.08064	4.5
135.11684	8.0
137.13234	2.2
142.07759	2.5
143.08537	5.3
145.10132	12.1
147.08018	1.8
147.11690	9.4
149.09637	15.3
149.13271	4.0
151.11142	4.0
155.08528	2.3
156.09358	1.6
157.10167	9.1
158.10942	1.5
159.08078	2.0
159.11699	16.5
161.09610	4.9
161.13228	7.2
163.11092	1.6
169.10126	4.3
171.11714	8.0
173.09592	1.4
173.13254	9.4
175.11171	4.7
175.14812	4.8
177.12752	3.5
179.10742	1.9
183.11638	4.4
185.13210	5.8
187.11151	2.3
187.14752	6.1
189.12650	2.2
189.16374	6.7
193.12177	7.1
195.11702	2.5
197.13246	4.7
199.14784	6.5
201.12683	2.0
201.16376	14.2
203.14252	1.7
209.13037	2.0
211.14755	1.2
213.16464	3.6
215.14349	2.0
215.17911	4.2
215.61334	1.3
217.15916	1.7
223.14742	3.1
225.16380	2.5
227.14392	3.2
227.17928	3.6
229.19487	4.6
237.16522	1.5
239.18051	1.6
241.15881	2.9
243.17520	2.1
245.15398	3.7
251.18010	1.5
255.21111	4.1
271.20575	2.0
273.22055	7.5
293.22467	2.6
295.24188	2.7
319.24396	1.5
335.27170	4.1
337.25308	4.2
345.25952	2.3
348.24365	1.4
353.27896	1.4
363.26889	14.4
381.27893	100.0
390.73019	1.3
413.30450	1.4
435.32718	9.6
453.33658	5.8
463.31973	4.6
481.33163	26.6
535.37469	1.6
586.27136	2.3
611.62500	1.6
630.46759	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64543	0.8
53.03950	2.2
53.58922	1.0
54.29397	0.8
55.01878	0.9
55.05516	12.9
57.03418	0.9
57.07070	1.9
65.03939	1.4
67.05187	1.3
67.05515	18.5
68.05834	1.1
69.03416	1.7
69.07074	7.1
71.04983	3.2
72.08145	2.6
79.05068	1.3
79.05504	20.2
80.05820	1.8
81.03413	2.0
81.07066	51.6
82.07400	2.5
83.04991	16.9
83.08601	3.6
85.06554	3.3
89.06030	1.4
91.04984	1.4
91.05494	16.9
92.05806	1.9
92.41395	0.8
93.07057	19.8
94.07367	1.7
95.04960	3.6
95.08611	17.3
96.08934	2.1
97.06526	2.3
98.20779	2.0
101.06050	1.1
103.05452	1.1
104.95082	0.9
105.06396	1.4
105.07043	17.7
106.07358	1.5
107.08601	20.2
108.08907	1.8
109.01801	0.8
109.06537	18.7
109.10181	11.8
111.08022	1.0
112.79499	0.8
117.07047	6.2
119.08601	19.0
120.08976	1.0
121.06498	1.4
121.10155	15.4
122.10442	1.2
123.08094	1.9
123.11706	8.0
125.05965	0.9
125.09681	1.3
125.78415	0.8
129.07007	4.2
131.08588	11.0
132.08870	1.3
133.06410	1.5
133.10149	18.0
135.08063	6.8
135.11714	14.1
136.12025	1.4
137.09586	2.1
137.13210	3.6
139.07523	1.1
139.11166	0.9
141.06952	1.0
142.07722	0.9
143.08560	7.5
145.10136	12.5
147.08055	1.9
147.11717	9.3
149.09616	7.4
149.13254	3.7
151.07556	1.4
151.11148	1.5
151.61122	0.9
155.08580	2.8
156.09305	1.0
157.10133	9.2
158.10956	1.3
159.11716	12.6
161.09605	2.9
161.13258	6.3
163.11238	1.8
163.14795	1.6
169.10068	2.8
171.11711	6.5
173.13261	8.1
175.11171	2.6
175.14806	6.3
177.12723	0.9
181.10107	1.2
183.11659	4.1
185.13226	5.7
187.11188	1.0
187.14825	5.0
189.12733	2.1
189.16412	7.3
191.18030	1.0
193.12289	1.3
195.11646	2.1
197.13278	4.2
199.14868	5.0
201.12755	2.7
201.16383	5.3
203.14281	1.6
203.17957	2.6
207.11690	1.4
209.13268	2.7
211.14751	1.8
213.16374	2.2
215.14392	1.5
215.17986	4.2
223.14876	2.3
225.16357	2.1
227.14323	2.7
227.17976	3.6
229.19537	5.6
229.23598	1.0
231.21205	2.8
237.16296	1.2
239.17958	2.1
245.22610	1.2
255.17282	1.3
255.21005	3.0
257.18970	1.6
258.19446	1.1
271.20294	1.2
273.22134	8.8
275.20123	2.4
276.20453	1.2
293.22656	2.6
295.24207	2.6
313.64587	1.1
319.23975	1.2
335.27277	1.3
337.25214	3.5
353.28552	1.2
363.26880	9.3
381.27927	26.7
393.27893	1.5
411.29135	2.7
435.32703	8.6
453.33627	3.0
463.32068	12.4
465.33698	1.4
481.33191	100.0
482.33426	2.4
517.36304	1.2
535.37677	2.8
553.38892	2.5
586.41455	1.8
612.46313	1.3
630.44525	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	630.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.1
55.01864	1.4
55.05497	4.0
67.05504	7.1
69.03417	2.6
69.07056	4.1
71.04973	1.7
79.05495	11.2
81.03428	1.4
81.07064	32.0
83.05000	4.9
83.08593	2.1
85.06542	1.7
91.05505	9.1
93.07050	11.1
94.67572	1.3
95.04961	2.6
95.08140	1.0
95.08615	10.1
97.06542	1.5
97.54865	1.1
97.60792	1.0
99.08112	2.5
105.03406	1.7
105.07047	11.4
107.08591	13.3
109.06524	14.3
109.10171	7.6
117.07036	3.6
119.08590	16.7
121.06496	2.2
121.10137	7.8
123.08059	4.3
123.11702	2.5
125.09649	1.8
128.06235	1.3
129.07004	2.6
131.04958	1.3
131.08588	8.6
133.06493	1.6
133.10139	11.5
135.08044	6.3
135.11687	4.2
137.09647	5.0
139.11203	1.1
141.06985	1.1
142.07785	2.8
143.08574	6.3
145.10144	10.8
147.08043	3.6
147.11732	6.0
149.09668	7.2
149.13191	1.0
151.11160	2.0
153.07021	1.2
155.08519	3.9
156.09338	1.2
157.10124	13.8
159.07994	1.2
159.11694	13.1
161.09657	3.5
161.13260	3.5
163.11171	3.3
165.06982	1.2
169.10129	6.6
170.10881	2.5
171.11763	8.6
173.09610	3.1
173.13264	3.8
175.11200	3.9
175.14824	1.2
179.08646	1.1
179.10674	1.2
179.14371	1.5
180.09378	1.3
181.10112	2.7
182.10979	1.1
183.11702	7.9
185.13254	10.7
187.11160	3.8
187.14793	5.0
189.12741	3.0
191.14322	2.0
193.12225	1.6
194.10843	1.4
195.11716	3.6
196.12564	1.1
197.13284	6.1
199.11211	3.8
199.14857	3.6
201.12805	6.0
201.16339	2.1
203.14305	5.3
205.12160	1.3
207.11720	1.8
209.13251	2.9
211.14796	3.4
213.12769	1.9
213.16321	1.6
215.14319	3.0
221.13292	1.6
223.14752	2.5
225.12743	3.7
225.16431	2.4
226.17183	1.8
227.14346	2.3
227.17972	21.9
239.14209	2.1
241.16043	1.4
243.13821	1.4
243.17418	3.6
244.18088	1.6
245.15390	1.4
245.19032	9.1
249.16280	1.4
251.17809	1.9
253.15810	1.1
255.17514	1.1
263.17896	1.5
265.15784	1.2
267.17654	1.6
269.19055	5.2
279.17429	1.2
287.20129	15.4
307.20490	2.5
309.22128	3.3
325.21863	1.3
327.23215	3.6
333.22141	2.0
335.23593	3.3
349.25195	3.0
351.23175	4.7
353.24539	1.9
365.24924	1.1
367.26254	1.4
377.24863	11.1
388.53204	1.1
389.75476	1.1
395.20767	1.5
395.25864	25.9
395.77344	1.3
449.30493	4.1
463.28360	2.8
467.31613	5.9
481.29535	100.0
482.29773	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.1
53.03954	5.9
55.01874	1.9
55.05515	28.4
57.03433	4.4
57.07072	3.1
58.74935	1.0
65.03942	5.0
65.83148	0.9
67.05508	95.6
69.07070	28.6
70.13581	2.2
71.04985	4.3
73.42192	0.9
77.03951	1.1
79.05496	68.2
81.03430	1.6
81.07059	98.8
83.04979	2.8
83.08624	21.6
85.06536	3.5
91.05484	49.0
93.07049	75.9
95.04953	5.9
95.08610	65.9
95.09246	1.8
97.06541	6.6
97.10167	8.9
98.20754	1.1
98.58613	1.0
99.08097	2.6
105.04539	1.9
105.07037	27.1
107.08601	34.0
109.06533	3.4
109.10156	21.2
111.08102	5.6
111.11726	3.1
113.09715	1.2
115.05499	0.9
117.07028	11.3
119.08578	22.7
119.09351	1.6
121.10147	69.1
121.16388	0.9
123.08057	2.5
123.11722	6.2
125.09636	2.0
129.06998	4.6
130.47577	0.9
131.08572	16.6
133.10126	22.8
133.11069	1.3
135.08014	1.1
135.11700	39.4
135.12714	2.1
137.09631	3.7
137.13271	2.0
139.11203	1.4
143.08580	4.6
145.10144	13.9
147.11691	14.9
149.09639	2.3
149.13263	9.9
157.10162	1.9
159.11714	9.9
161.13254	8.8
163.11258	2.1
163.14857	2.6
165.12750	2.0
169.52554	0.9
171.11746	5.4
173.11974	1.3
173.13206	4.6
175.14827	3.7
177.12848	2.7
179.14360	2.2
183.11755	1.4
185.13298	3.6
187.14784	1.4
194.62466	1.0
195.13794	1.8
241.19589	3.7
243.21136	2.0
259.20575	20.0
261.22223	6.2
275.20175	2.3
277.21652	13.6
279.23215	11.0
289.65833	1.0
315.23251	2.6
333.24207	18.8
335.25958	1.0
337.27423	4.4
339.60855	1.0
349.23859	1.6
351.25385	7.2
353.26862	17.5
462.38870	1.0
519.42090	1.9
531.40100	2.9
537.42932	2.1
547.39783	1.8
555.44366	1.4
611.46710	25.8
629.47760	100.0
630.47870	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25562	4.2
53.03949	6.1
55.01868	9.7
55.05518	62.7
56.05833	9.4
57.03444	7.7
67.05496	17.0
69.07058	9.3
79.05490	21.2
79.19591	4.6
81.03409	26.9
81.07042	19.3
83.04983	100.0
83.08637	7.3
84.05325	7.1
91.05457	26.0
93.07038	25.5
93.29567	4.3
95.01325	12.4
95.04974	28.2
95.08599	10.7
97.06506	5.4
103.05480	18.1
104.05781	7.8
105.03396	4.7
105.07060	29.9
107.04993	10.3
107.08594	9.4
109.06532	11.0
117.07031	9.9
119.08561	26.2
121.02876	5.6
121.06500	12.9
121.10167	12.4
123.08053	4.8
129.07005	11.4
131.04918	45.6
131.08525	20.2
132.05269	13.8
133.06479	13.8
133.10083	22.0
135.04442	7.5
136.06181	16.7
143.08556	12.7
145.06506	10.6
145.10143	18.1
147.08022	21.2
147.11746	5.7
149.05991	7.0
149.09576	12.2
153.07002	5.0
156.09167	6.0
157.10147	21.2
158.07187	4.8
159.08069	17.0
159.11687	8.3
161.05983	19.3
161.09644	18.7
169.10132	20.1
170.10654	6.5
171.08090	12.8
171.11668	23.7
172.08427	4.3
172.12032	6.9
173.09677	12.9
173.13229	6.2
175.07550	7.5
175.11038	4.8
177.05441	7.1
178.05815	5.0
181.10091	5.8
183.11670	18.2
184.12048	11.2
185.09608	15.4
185.13274	16.6
186.10056	5.4
186.13646	5.7
187.11246	8.3
189.09033	12.1
193.10181	6.7
195.11676	15.0
197.09636	8.7
197.13339	8.7
198.13660	6.6
199.11134	16.0
201.09109	5.3
201.12759	6.9
207.11780	8.9
208.12175	5.3
209.13292	6.5
211.11139	12.2
213.09050	8.9
213.12747	31.3
214.13121	15.6
217.08621	7.6
221.13326	12.6
223.11165	11.8
225.12805	4.5
229.08690	5.6
229.12219	5.6
235.14801	13.0
236.11685	5.0
239.10530	5.5
248.12012	5.2
259.13367	8.2
263.14349	10.5
267.15881	14.7
274.15137	8.6
287.14517	8.2
292.16290	6.2
302.16635	5.8
313.15704	5.7
314.12857	5.5
315.17184	7.8
317.15521	6.7
329.18900	7.9
331.16898	20.2
333.18600	7.9
343.16913	16.8
345.18387	15.4
357.18652	23.4
361.17920	5.5
373.18039	16.8
375.19513	19.4
385.17999	20.6
390.21057	5.0
391.18881	25.0
392.19153	4.6
403.18768	29.2
405.20648	8.7
417.20502	12.9
421.20139	37.4
435.21753	35.8
453.22623	17.3
461.28873	7.0
464.17587	5.6
481.22134	10.0
495.23816	20.0
495.87158	5.2
513.24847	8.3
581.27332	12.8
598.27203	6.9
612.29248	11.5
630.30475	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	629.478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.7
55.01877	3.7
55.05515	31.3
57.03438	7.3
57.07078	4.2
62.60450	1.8
63.41817	1.6
65.03954	4.3
67.05509	90.5
68.05840	1.6
69.03437	2.8
69.07072	31.9
70.60941	3.4
70.61306	3.6
71.04993	5.3
75.26764	1.5
79.05497	70.6
80.05830	2.7
81.03418	3.6
81.07061	100.0
82.07360	2.1
83.04992	5.1
83.08620	24.0
85.06558	3.6
91.05483	65.2
92.05808	1.6
93.07051	66.5
94.07388	2.7
95.04998	7.9
95.08610	69.8
97.06554	10.5
97.10169	12.2
99.08112	3.2
103.05485	1.6
105.07038	49.0
107.08603	38.2
109.06537	3.9
109.10166	22.7
111.08076	19.3
115.05472	2.5
117.07023	19.4
119.08594	32.6
121.06474	1.9
121.10150	52.4
123.08108	3.8
123.11735	7.0
128.06274	2.6
129.07018	13.2
130.07811	2.0
131.08569	39.8
131.09492	2.5
133.08600	2.0
133.10129	28.1
135.08055	2.9
135.11708	27.4
137.09648	3.1
137.13287	2.9
139.11314	1.9
141.07040	3.3
142.07817	2.6
143.08566	14.8
145.10135	31.3
147.08057	1.9
147.11708	21.5
149.09631	2.2
149.13278	9.7
151.11139	2.1
155.08592	5.7
157.10146	12.7
159.08121	1.7
159.11717	19.7
161.13274	12.3
165.12843	1.9
169.10164	6.1
171.11713	13.0
173.13264	9.6
173.33501	1.5
175.14804	2.1
177.12782	2.7
181.10217	2.4
183.11755	5.4
185.13272	7.7
187.14876	2.7
195.11768	2.4
197.13301	2.1
199.14882	6.2
201.16499	2.4
204.58817	1.7
211.14830	1.9
241.19757	2.7
257.19086	3.6
259.20599	11.7
261.22159	4.0
275.20193	3.8
277.21780	3.5
279.23218	5.6
315.23416	2.6
333.24219	12.4
335.25964	2.9
336.26453	1.7
337.27451	3.9
351.25534	2.7
353.26855	9.6
501.40671	4.6
517.38843	2.6
519.42615	10.0
531.40643	6.5
537.43213	6.4
585.45398	4.2
593.45667	10.4
599.47363	2.7
611.46710	70.5
629.29846	4.9
629.47748	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.3
53.03951	3.9
55.01868	2.4
55.05266	1.7
55.05515	24.4
56.78143	0.8
57.03437	8.3
57.07079	2.9
58.85340	0.9
63.19537	0.9
63.33626	0.9
65.03941	4.3
67.05508	94.3
69.03408	1.0
69.06728	1.5
69.07072	21.1
69.28674	3.2
69.29096	5.5
71.04996	3.8
71.08617	0.9
73.46380	1.0
79.05498	63.8
80.73904	1.0
81.07061	100.0
83.04983	3.1
83.08621	15.0
85.06539	4.4
86.73114	0.9
89.06032	2.1
91.05485	57.2
93.07050	70.3
95.05006	4.9
95.08613	68.5
97.06532	6.1
97.10172	6.9
98.84412	1.1
99.08100	3.9
103.05460	1.1
105.04523	1.4
105.07037	33.9
106.12447	0.9
107.08601	30.9
109.06534	1.9
109.10155	23.9
111.08075	5.5
111.11748	1.6
116.06331	0.9
117.07021	15.3
119.08586	29.8
121.06602	1.1
121.10150	74.2
123.08085	2.9
123.11724	5.1
125.09599	2.7
128.06252	1.4
129.07028	6.4
131.08569	20.8
133.08607	1.9
133.10143	27.9
135.08089	1.0
135.11702	36.6
137.05984	2.6
137.09590	3.9
137.13245	2.7
139.11201	1.9
143.08589	6.3
145.10133	22.7
147.11690	24.1
149.09595	2.5
149.13277	13.6
151.11165	1.6
155.08614	1.5
157.10213	5.3
159.11710	13.5
161.13263	13.1
163.11182	2.7
163.14781	2.0
165.12752	2.1
169.10141	1.7
171.11697	7.2
173.13263	6.2
175.14845	6.0
177.12773	3.0
179.14268	2.2
183.11658	1.6
185.13290	6.2
187.14824	2.5
195.13841	2.1
199.14830	2.2
201.16374	1.8
211.14792	2.0
215.52684	1.1
241.19563	6.4
243.21147	2.2
249.18576	1.2
257.18979	3.3
259.20590	35.3
261.22165	8.0
262.17178	1.0
271.20825	1.1
275.20126	1.8
277.18384	2.3
277.21655	16.9
279.23325	1.2
315.23166	5.5
317.24869	1.6
331.22769	2.7
333.24249	20.4
335.25830	49.9
337.27362	4.2
349.23822	1.4
351.21121	1.8
351.25284	26.6
353.26791	8.9
515.37299	2.7
519.42059	3.1
529.38702	1.3
531.40302	2.0
537.42865	6.8
555.44006	1.3
593.45563	4.8
611.46735	45.0
629.47748	26.3
630.47351	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2953
Annotation	Primary fluorescent chlorophyll catabolite
Peak:m/z	Relative Intensity
53.03947	3.2
55.01857	3.8
55.05267	4.1
55.05514	63.9
56.72009	2.5
67.05518	6.0
69.03439	3.5
69.07058	4.8
69.33739	12.6
69.34171	9.3
79.05490	14.8
80.66627	2.7
81.03420	3.5
81.07043	8.5
83.04984	100.0
91.05466	19.2
93.07059	14.5
95.04951	11.8
95.08611	6.6
95.17091	2.6
97.06526	5.5
98.20779	5.3
103.05490	5.8
105.07030	41.4
107.04956	6.5
107.08582	12.3
109.06530	8.1
115.05462	8.0
116.06297	3.1
117.07003	19.6
119.04915	3.0
119.08586	39.2
121.06500	5.3
121.10138	6.7
128.06252	6.7
129.07018	10.9
130.07840	4.0
131.04938	7.9
131.08569	24.4
133.06459	20.9
133.10103	18.7
135.08038	6.9
141.07004	6.4
142.07785	9.0
143.08554	16.8
144.09363	4.5
145.06482	8.8
145.10112	18.3
146.07329	4.5
147.08011	16.3
147.11661	4.0
149.05992	5.3
149.09624	11.4
153.06992	3.2
155.08557	16.3
156.09348	15.3
157.10124	38.5
158.10921	3.4
159.08110	18.4
159.11703	22.7
161.05984	26.1
161.09624	14.6
163.07611	13.3
163.11171	6.5
165.06987	7.8
166.07755	3.2
167.08487	4.0
168.09369	5.6
169.10118	26.3
170.10918	13.4
171.08084	12.9
171.11702	55.8
172.08798	4.2
173.05957	4.3
173.09587	18.6
173.13258	10.7
175.07523	14.7
177.09096	10.6
179.07037	4.9
179.08504	6.6
179.10753	4.0
180.09302	3.3
181.10083	8.6
182.10950	5.0
183.08069	7.4
183.11702	60.8
184.08885	5.3
184.12334	2.9
185.09651	14.5
185.13284	41.0
186.10410	3.4
187.07599	5.9
187.11205	16.9
189.05498	4.5
189.09109	8.9
191.08604	3.8
191.10559	3.3
192.09213	3.8
193.10085	4.2
195.08208	3.5
195.11749	15.6
197.09581	10.7
197.13243	11.1
198.10330	6.0
199.07657	6.5
199.11188	24.6
200.11916	6.3
201.09142	9.3
201.12785	19.7
203.10625	3.5
205.10213	6.0
205.12221	4.9
206.10986	6.2
207.11679	10.6
208.12578	4.1
209.09656	6.0
209.13219	5.3
211.07545	4.3
211.11177	15.0
213.09140	10.0
213.12746	57.4
214.13429	2.7
215.10704	5.7
215.14272	2.9
217.10234	5.5
219.11740	8.3
221.09636	3.8
221.13258	12.0
222.14021	3.3
223.11200	8.4
225.09219	3.7
227.10701	7.1
229.12204	14.5
230.10924	3.5
231.10011	6.5
231.11929	4.4
231.13849	6.3
232.12558	4.3
233.09584	4.6
233.13298	6.8
233.15381	6.5
235.11195	3.5
235.14894	7.6
237.12726	7.6
239.10765	6.4
241.12238	10.6
243.11700	7.4
243.13873	9.3
244.12430	6.6
244.32365	3.2
245.09674	3.8
245.13243	8.5
245.15344	18.1
246.10574	3.6
246.14049	4.5
247.11058	4.7
247.14894	11.2
249.12706	5.7
251.10556	3.7
253.12384	4.3
254.11189	2.8
255.11598	5.9
255.13901	5.5
256.12347	5.9
258.14124	3.9
259.15115	4.6
260.15753	3.5
261.12622	6.2
261.14886	4.4
263.14130	4.7
265.12286	3.6
269.13205	5.6
270.14026	9.1
271.11020	3.9
271.14890	7.3
272.15503	4.1
273.14767	14.5
277.12317	3.6
277.15964	3.2
279.13919	3.3
283.11142	4.7
283.14731	4.1
284.15683	3.2
285.12772	5.9
285.16376	10.5
286.13513	3.2
286.17047	3.4
287.14325	5.7
287.18204	3.2
288.15179	3.9
289.15912	3.8
291.16022	6.5
295.64734	3.5
297.12402	3.9
299.14328	5.3
299.17792	5.8
301.12259	3.8
301.15771	7.3
303.13855	4.5
303.17532	7.3
304.14444	2.9
307.16867	3.9
312.15085	5.1
313.15817	13.1
315.13614	6.2
315.17184	3.2
317.15405	4.6
317.18863	6.2
319.16769	5.0
321.18207	3.3
327.17447	8.6
329.15295	3.5
331.16989	20.9
333.18402	4.3
341.15372	11.7
343.16650	6.2
345.18552	17.3
347.16428	5.2
349.18030	7.7
355.16806	13.5
359.16382	16.2
361.17825	2.8
363.19482	8.8
373.18042	35.7
377.17386	7.2
383.16309	6.7
387.19592	3.2
389.17285	4.2
391.19067	22.0
401.17258	20.7
403.19354	3.6
405.20618	17.0
409.20035	3.8
415.19000	12.9
417.19485	3.0
419.18524	12.5
421.20920	3.0
423.21494	10.9
433.20139	29.6
437.19501	8.7
441.22708	3.3
451.21155	27.5
469.22244	11.6
479.07416	2.7
479.20889	5.3
497.21161	3.5
511.22849	4.2
579.25275	3.8
597.26917	4.0
611.28589	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	629.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.4
55.01863	5.8
55.05514	72.1
67.05494	8.5
69.03426	6.0
69.07094	3.6
70.35848	11.9
79.05481	12.5
79.34074	3.2
81.07050	8.5
83.04484	5.9
83.04984	100.0
91.05471	22.5
93.07037	15.5
95.04971	7.3
95.08631	4.0
97.06539	3.8
100.20097	3.5
103.05465	10.4
105.07029	36.5
107.08572	10.8
109.06508	9.5
115.05441	9.6
117.07021	18.4
119.04920	4.7
119.08578	39.7
121.02863	3.1
121.06526	8.4
121.43871	3.0
128.06241	8.4
129.07007	10.8
131.04935	15.1
131.08606	22.3
133.06512	19.3
133.10109	24.6
135.08029	10.6
141.06987	6.5
142.07771	8.7
143.08588	17.1
145.06512	12.1
145.10126	18.6
147.08035	17.8
149.06013	5.8
149.09622	9.2
150.90681	3.6
153.06952	4.5
154.07803	4.7
155.08540	13.3
156.09367	16.3
157.06512	5.4
157.10132	41.2
159.04443	3.8
159.08051	13.4
159.11682	11.8
161.05952	23.1
161.09641	13.6
163.07487	5.9
163.11139	8.8
165.07014	11.0
165.09116	4.5
167.08543	9.7
168.09332	4.6
169.06467	3.7
169.10138	26.4
170.10881	12.4
171.08018	13.2
171.11693	68.8
172.08810	5.9
173.05876	7.9
173.09634	15.6
173.13275	8.8
175.07561	14.5
175.11230	4.5
177.05476	5.9
177.09045	7.7
179.07033	6.6
179.08501	6.1
179.10632	4.7
181.10152	11.9
182.10893	4.1
183.08072	7.5
183.11693	37.1
184.12422	3.5
185.09694	20.1
185.13243	58.0
187.07568	7.5
187.11165	12.4
189.05515	7.9
189.09116	4.4
191.07033	5.3
191.10617	4.1
193.08594	7.2
193.10143	9.5
195.08035	5.9
195.11699	14.2
197.09604	14.2
197.13312	16.7
198.10361	4.4
199.07686	4.3
199.11182	25.9
199.22803	3.4
201.09143	5.9
201.12759	14.8
205.10237	5.5
205.12241	5.6
207.11674	12.1
208.12511	4.0
211.11174	13.6
213.09264	6.4
213.12772	72.4
215.10646	4.6
216.09344	4.2
217.12132	7.3
219.11723	9.0
219.34422	4.6
221.09734	4.7
221.13254	11.0
223.11137	11.8
225.09087	6.2
225.12724	6.5
229.12247	10.3
230.10843	7.0
231.11850	5.7
231.13795	12.7
232.12480	5.8
233.13391	6.4
233.15283	5.6
234.14124	4.9
235.11266	5.0
237.12720	6.5
239.10680	5.0
241.08583	5.0
241.12285	7.5
242.10959	4.2
243.11824	6.7
243.13817	11.7
244.12589	9.2
245.09567	4.6
245.13190	9.6
245.15332	32.4
246.10457	3.8
247.11118	3.9
247.14890	5.8
249.12857	5.4
255.13829	8.1
256.12454	8.1
257.13367	4.1
258.10434	4.3
258.13980	7.6
259.13214	6.9
259.15100	3.9
263.16409	6.3
265.12354	4.8
267.11670	4.3
269.13095	4.1
270.14008	11.3
271.11057	6.5
271.14960	3.9
273.14670	24.8
275.14072	4.7
277.12125	3.6
279.14026	3.5
282.13870	4.4
285.12955	7.0
285.16318	9.2
287.14288	8.6
287.17618	5.4
291.15939	10.0
293.11945	3.6
295.14713	5.1
299.17935	4.9
300.15082	4.2
301.12234	3.6
305.15085	3.4
311.14346	5.0
312.14850	5.2
313.12250	5.1
313.15601	7.5
314.16541	4.0
315.13742	5.1
315.17169	5.4
317.15482	4.1
321.15002	5.4
326.13199	4.5
327.13797	5.3
327.17487	13.3
329.15320	6.8
331.16821	19.0
335.16464	6.1
341.15295	12.7
343.12964	5.8
343.16870	7.7
345.14746	5.3
345.18585	13.6
347.16443	7.3
349.17996	8.7
355.16864	16.9
359.16562	25.9
361.18158	6.8
363.19641	8.3
371.16489	6.5
373.17923	43.9
375.19864	4.2
377.17416	12.8
383.16180	9.9
387.19537	5.6
389.17499	7.2
391.19159	24.1
401.17548	33.8
405.20605	10.3
409.19824	6.1
415.18903	14.2
419.18542	39.6
421.20206	8.3
423.21570	12.1
433.20114	48.3
437.19409	15.6
451.21274	45.1
455.20938	4.6
469.22421	23.8
479.20667	8.0
493.21741	5.6
497.21298	3.5
511.23178	10.2
529.23633	4.4
591.87457	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.1
54.46844	2.7
55.01874	5.2
55.05270	5.8
55.05518	69.7
57.31330	3.0
67.05499	4.2
69.03428	4.3
69.07072	6.8
79.05504	16.2
81.07064	7.2
83.01349	4.9
83.04990	100.0
91.05496	24.6
93.07043	20.9
95.04970	14.6
95.08603	10.8
97.06520	4.8
103.05466	4.2
105.07040	34.4
107.04958	5.8
107.08592	12.2
109.06536	7.5
109.10158	3.2
115.05453	3.9
117.07032	15.0
119.04956	4.4
119.08604	30.2
121.06535	8.0
121.10175	8.9
123.08110	3.5
128.06229	6.9
129.07007	10.0
131.04871	7.5
131.08588	21.8
133.06520	17.4
133.10147	19.0
135.08064	14.1
137.09682	3.1
142.07805	7.0
143.08604	20.9
145.06509	9.5
145.10124	12.6
147.08061	15.5
147.11690	3.1
149.05942	3.9
149.09627	16.8
151.07524	6.0
155.08528	17.4
156.09346	16.0
157.10143	31.0
158.07288	4.1
159.08073	13.5
159.11748	11.3
161.06012	11.3
161.09636	12.3
163.07504	8.4
163.11189	5.3
165.06973	5.0
167.08569	3.9
168.09291	2.8
169.10095	22.5
170.10918	13.9
171.08070	10.1
171.11679	58.4
173.09641	18.2
173.13338	8.2
175.07581	6.7
175.11171	5.9
177.05482	6.7
177.09076	4.5
179.07034	7.2
180.09351	4.8
181.10133	10.6
182.10982	4.8
183.08035	5.4
183.11711	36.0
184.08920	3.6
185.09676	11.7
185.13261	46.8
187.11211	12.4
189.05478	4.0
192.09279	5.0
193.08589	4.5
193.10208	6.0
195.11716	14.7
197.09651	13.0
197.13292	13.7
198.10411	3.5
199.07538	6.8
199.11151	24.2
201.09111	4.5
201.12711	13.9
203.08719	3.5
203.10664	3.8
205.10283	5.5
206.10936	5.7
207.11694	6.5
208.12363	3.4
209.13249	5.6
211.11197	14.1
213.09293	3.3
213.12769	67.4
215.14098	3.3
217.10214	7.7
217.12190	5.8
219.11702	8.6
221.09843	3.4
221.13268	11.3
223.11189	9.4
225.12781	4.9
227.10568	5.8
229.10208	6.6
229.12314	11.6
230.10864	6.3
231.11823	6.4
231.13715	6.0
232.12500	5.2
233.13284	11.2
234.14174	3.7
235.11292	3.7
235.14848	5.5
237.12852	5.3
239.10760	4.0
241.12289	7.2
243.11687	8.6
243.13901	11.0
244.12447	7.1
245.13391	5.2
245.15384	21.0
246.13956	4.7
247.11128	7.2
247.14894	8.5
249.12758	7.0
255.13843	10.4
257.13266	8.8
258.14090	6.2
259.13150	4.2
259.15195	3.8
261.16449	6.6
263.14120	3.7
270.13977	3.6
271.14822	5.9
272.11880	4.2
273.14688	18.5
275.14276	4.7
275.18018	3.0
277.15924	6.5
279.14099	3.5
285.12790	4.1
285.16397	4.9
286.13654	4.0
287.14258	9.5
291.15787	14.8
293.15085	4.3
298.13528	5.5
299.17993	5.3
301.15799	8.1
302.16568	4.1
303.13788	4.1
303.17386	8.6
305.15253	3.4
313.15805	6.9
315.13870	6.4
315.17276	6.3
317.15466	6.0
317.18915	5.9
319.16861	6.5
321.18472	4.4
327.17413	7.4
329.15454	4.7
329.19022	4.0
330.16092	3.5
331.16953	10.1
333.18323	7.1
341.15063	4.3
345.14801	3.3
345.18326	15.8
347.16254	5.8
349.18057	8.2
359.16394	11.4
361.18011	7.2
363.19528	10.5
373.18024	18.6
377.17480	12.1
379.19049	3.7
381.20627	4.2
387.19571	3.9
391.19086	24.9
393.21063	4.5
395.22284	7.2
401.17535	6.6
405.20615	15.8
405.25604	3.3
409.20096	12.1
411.21686	3.5
419.18512	16.1
421.20096	5.3
423.21899	22.2
433.20059	22.3
437.19537	9.2
439.21158	5.1
441.22934	8.1
451.21176	32.3
469.22095	21.8
479.20456	3.3
511.23376	4.4
529.24152	7.3
551.26129	5.9
629.27856	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	629.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29963	2.3
53.03938	5.8
55.01863	4.6
55.05264	4.2
55.05512	57.9
57.05556	2.7
67.05496	6.7
69.03421	3.3
69.07056	8.6
79.05479	7.6
81.03419	6.1
81.07050	5.7
83.04984	100.0
91.05489	19.8
91.85161	2.7
93.07063	17.6
95.04984	13.2
95.08610	7.6
97.06510	3.0
103.05455	21.2
105.07030	23.3
107.08629	12.4
109.06505	5.1
115.05421	5.7
117.07025	8.8
119.08590	25.1
121.06536	8.8
121.10128	8.4
123.08062	8.2
128.06223	5.5
129.06979	4.5
130.07765	3.4
131.04926	38.3
131.08578	17.5
133.06485	10.3
133.10120	25.8
135.08046	12.3
137.09660	4.7
141.06992	4.6
142.07762	8.6
143.08617	15.3
145.06445	8.8
145.10098	9.7
147.08051	16.7
147.11659	2.7
149.09647	16.8
151.07538	3.2
154.06082	2.6
155.08539	8.2
156.09329	11.7
157.10143	30.2
159.08054	14.2
159.11670	7.1
161.05992	6.2
161.09625	13.5
163.07529	11.1
165.07033	3.5
165.09085	3.5
166.07719	2.5
167.08517	8.4
169.10143	23.2
170.10895	10.3
171.08089	14.2
171.11687	45.6
173.09636	18.0
173.13283	4.3
175.07552	5.9
177.09079	5.0
179.07016	5.4
180.09364	3.9
181.10143	6.4
182.10962	3.2
183.08049	6.6
183.11668	27.3
184.08821	3.7
185.09612	13.3
185.13257	34.1
187.11168	11.8
189.09138	5.6
191.10643	5.4
193.10086	6.2
194.10814	5.2
195.11676	10.7
197.09572	7.0
197.13199	10.3
198.10405	8.0
199.07507	4.5
199.11159	19.3
200.11853	3.2
201.09065	4.3
201.12677	8.4
203.08553	4.1
203.10603	4.3
206.10866	3.5
207.11678	9.6
208.12439	6.1
209.13129	6.1
211.11156	9.8
213.09163	3.2
213.12753	45.6
215.10641	4.9
216.09326	3.9
217.08565	7.3
217.12184	6.4
218.10912	4.2
219.11725	4.5
221.13203	8.7
223.11165	8.5
223.14748	4.6
225.09076	3.5
225.12706	4.3
227.10608	3.8
229.08307	3.7
229.10287	4.4
229.12129	5.1
230.10854	3.2
231.13785	6.7
232.12453	5.5
233.13264	6.1
235.11188	4.7
235.14799	5.8
237.12779	4.7
241.12242	9.2
243.11699	5.8
243.13750	5.6
244.12462	5.0
245.13338	5.7
245.15399	17.3
246.14079	4.3
247.11148	5.4
247.15009	4.2
249.12650	6.5
249.16476	7.1
251.14230	5.3
255.13843	5.3
256.12354	4.7
257.13287	5.7
258.13882	5.9
259.10962	3.7
259.13290	14.3
259.15274	5.1
260.15424	4.6
261.12677	6.5
261.16483	3.7
263.14276	6.1
270.13931	6.3
271.14737	7.5
273.14975	10.1
275.14178	4.0
275.17664	2.9
277.15744	5.4
285.16248	6.3
286.13541	3.7
287.14322	4.8
287.17621	4.8
288.15182	3.4
289.12045	3.0
289.15707	4.7
291.16037	8.6
293.15204	3.7
301.15723	5.2
303.17462	8.1
305.15311	3.5
311.13022	3.3
313.15668	3.2
317.18881	4.0
319.16779	4.7
321.18448	3.3
327.17352	4.2
329.18753	4.5
331.16846	9.4
333.18481	7.9
341.15079	3.9
345.18448	10.4
347.16196	4.3
349.17996	11.1
359.16473	14.4
359.20163	3.0
361.17822	8.1
363.19464	11.1
365.17392	3.2
373.17953	19.9
375.19501	6.2
377.17279	15.0
377.21371	3.5
381.20648	5.7
391.18958	22.6
393.20663	4.0
395.22345	4.3
401.17340	6.7
403.18912	6.9
405.20563	8.3
409.20145	7.7
415.18927	4.6
419.18393	18.4
421.20236	15.1
423.21674	14.7
433.20169	22.6
437.19565	11.4
439.21051	3.3
441.22827	6.1
451.21158	34.7
469.22348	19.2
481.22006	5.6
497.21524	3.8
529.23871	3.5
629.28680	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	629.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	10.6
55.05513	67.2
60.08888	3.9
67.05497	7.1
69.03405	12.4
70.21909	4.9
71.04978	3.8
79.05482	19.5
81.03419	8.9
81.07029	13.2
83.04987	100.0
91.05480	40.1
93.07039	18.5
95.04956	16.7
95.08611	9.2
98.21461	9.5
101.88629	4.2
103.05479	30.7
105.07043	51.8
107.08589	15.4
109.06515	14.0
111.04417	9.4
115.05434	14.8
117.07009	43.0
119.04916	7.2
119.08581	57.8
121.06487	14.4
121.10105	9.2
123.04375	5.5
123.08080	5.1
128.06238	11.8
128.42146	4.9
129.06995	13.9
130.07745	5.5
131.04939	70.6
131.08571	37.7
133.06470	25.8
133.10135	26.5
135.08043	14.6
141.06972	12.9
142.07771	13.2
143.08595	34.1
144.09309	5.1
145.06491	17.4
145.10074	24.3
147.08058	22.3
149.05960	8.9
149.09586	12.9
151.07596	5.6
155.08536	23.1
156.09325	18.4
157.10124	62.0
159.08052	29.0
159.11652	45.2
161.05991	41.8
161.09657	12.8
162.06789	5.6
163.07547	22.3
163.11101	6.9
165.07008	7.7
167.08562	12.2
169.10133	33.1
170.10902	18.0
171.08055	13.4
171.11685	55.2
173.05902	7.2
173.09592	24.8
173.13283	13.9
175.07616	32.4
175.11285	4.8
177.09113	49.1
179.08537	9.0
180.09302	7.2
181.10086	16.7
183.08031	9.8
183.11700	88.5
185.09572	19.7
185.13280	46.2
187.07465	6.3
187.11142	18.7
189.05489	9.3
189.09079	16.0
189.12752	6.2
191.06866	5.8
191.10580	7.2
192.09369	9.7
193.08604	10.8
193.10158	18.6
195.11711	18.1
197.09604	16.0
197.13243	10.3
198.10414	6.0
199.07594	5.2
199.11165	23.0
201.09004	6.5
201.12688	25.3
203.10591	10.7
203.14279	6.3
204.09349	6.4
205.08508	11.0
205.10240	6.9
205.12140	6.1
206.10942	8.6
207.11696	13.1
208.12532	7.1
209.09598	5.8
209.13019	5.9
210.10521	6.3
211.07616	6.0
211.11165	31.7
213.09151	10.5
213.12743	41.0
215.08676	5.8
215.10664	12.9
217.10222	7.9
217.12100	8.3
218.10851	5.4
219.11731	10.6
220.12367	10.4
221.13234	12.9
223.11163	12.1
223.14767	9.9
225.09164	9.3
225.12735	9.6
227.10611	8.5
229.12222	16.6
231.11821	10.1
231.13712	9.2
232.12306	7.7
233.13289	13.2
233.15337	8.3
234.14206	6.3
235.11234	7.6
237.12730	7.0
237.16183	6.0
239.10732	5.5
240.51195	5.6
243.13783	17.2
244.12532	8.5
245.13387	9.9
245.15489	15.2
246.14063	8.6
247.11099	7.7
247.14798	15.4
249.08945	5.5
249.12784	11.2
249.16365	6.5
251.14360	5.9
255.11684	6.8
256.12604	6.5
257.13422	8.7
259.15091	7.0
260.11960	6.0
261.12460	9.0
261.14685	7.0
265.12155	6.3
269.13245	9.7
270.13968	7.3
271.14944	10.3
273.12488	7.5
273.14999	6.4
277.12222	5.7
277.15854	5.9
285.13004	5.7
285.16324	11.8
287.14020	5.8
292.14764	5.3
299.14236	7.6
299.17889	6.2
301.15909	10.6
303.17404	8.3
313.15787	10.0
317.15430	8.1
321.18292	12.0
327.17392	11.1
329.15195	8.2
331.16757	23.3
333.14767	8.1
341.15332	10.4
345.18460	29.5
347.16138	8.5
349.18042	19.2
355.16751	9.3
359.16269	15.0
363.19455	13.6
373.17874	33.0
377.17383	10.2
383.16315	6.3
387.19653	10.2
391.19083	31.7
401.17377	17.3
405.20627	29.0
415.18939	12.3
419.18442	20.3
423.21432	17.9
433.20056	27.8
437.19479	11.2
451.21338	34.0
465.22620	18.3
469.22256	14.1
483.23843	13.2
510.72992	5.8
569.27319	18.8
597.26874	7.9
611.28613	5.6
629.29736	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	629.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.01865	8.1
55.05268	3.2
55.05516	54.7
56.05856	2.6
58.83968	2.7
64.16391	2.7
67.05502	7.0
69.03426	5.1
69.07068	4.2
69.20103	33.2
71.07758	2.9
72.29765	2.8
74.32229	3.4
79.05482	15.3
81.03403	9.9
81.07037	11.5
83.04983	81.3
84.05333	5.4
91.05476	25.8
92.05832	4.0
93.07058	17.4
95.01340	20.6
95.04961	17.4
95.08577	6.4
97.06522	4.5
103.05472	42.0
105.03381	8.8
105.07032	34.1
107.04924	6.6
107.08558	8.0
109.06505	9.9
115.05457	6.5
117.07008	12.8
119.04931	3.2
119.08563	29.7
121.06519	6.9
121.10133	9.7
123.08038	5.4
128.06207	9.7
129.07047	14.5
130.07840	4.1
131.04932	100.0
131.08586	19.3
133.06459	11.4
133.10136	18.1
135.08054	12.1
141.07004	8.3
142.07742	8.6
143.08572	19.6
145.06497	16.5
145.10153	14.5
147.08052	27.1
147.11710	5.0
148.08366	5.1
149.05966	5.7
149.09552	7.9
153.06902	4.8
155.08565	9.2
156.09346	12.6
157.10143	22.6
159.08093	16.3
159.11682	12.9
161.06012	17.9
161.09607	18.2
163.07559	17.5
163.11189	4.1
165.06961	7.3
165.09094	4.1
167.08505	6.8
167.10677	3.8
168.09384	6.6
169.10097	17.6
170.10828	9.7
171.08076	19.4
171.11694	32.3
172.11948	3.6
173.05989	4.2
173.09685	19.3
173.13234	7.7
175.07545	6.8
175.11118	5.3
177.05525	8.3
179.07089	4.8
179.08533	6.2
180.09364	4.6
181.10092	8.4
182.10757	3.4
183.08046	6.2
183.11684	31.9
184.08755	3.9
185.09683	15.1
185.13243	22.7
187.07523	11.2
187.11168	11.0
189.05408	3.9
189.09079	4.4
190.05812	3.0
193.10194	5.2
194.10728	4.5
195.08041	5.8
195.11647	11.3
197.09618	13.8
197.13216	12.2
198.10373	7.0
199.07452	3.7
199.11150	23.2
200.11813	7.4
201.09120	5.3
201.12779	6.9
203.10701	2.9
207.11682	10.6
209.09624	8.5
209.13235	9.3
210.64810	3.4
211.11232	9.9
211.14949	3.5
213.09166	8.3
213.12758	48.6
215.08565	3.3
215.10625	7.2
217.08369	4.2
217.10243	6.6
218.10748	3.9
221.13275	4.7
223.11160	10.1
223.14828	4.0
225.09076	12.7
225.12730	7.8
227.10649	6.5
229.10176	4.2
229.12213	7.6
231.13795	7.4
233.13434	7.4
235.14888	3.8
237.12758	4.7
239.10629	3.9
241.08545	5.4
241.12183	5.8
243.13860	7.3
245.15355	9.3
246.13750	3.8
247.15027	3.6
249.12814	4.8
249.16393	3.5
251.06819	4.3
251.14236	3.9
257.13312	4.5
259.13309	10.2
261.12485	3.9
263.14252	3.7
267.09995	3.4
273.14929	14.0
277.12189	3.8
283.11334	3.6
287.14334	5.9
291.16049	5.4
303.17490	4.0
313.15616	3.7
315.17316	7.5
317.18793	3.6
319.16800	3.9
329.15240	7.9
331.16895	4.4
343.16898	4.9
345.18512	5.7
347.16498	4.2
355.16803	7.0
359.16208	9.7
361.17841	7.3
373.17911	12.5
377.17639	4.6
387.19458	4.4
388.19769	4.7
391.18857	7.0
401.17160	5.9
403.19009	5.2
405.20529	4.5
406.20749	7.5
407.22180	4.4
419.18549	6.5
421.20221	5.8
424.21936	5.2
433.20276	4.4
437.19568	7.6
451.21008	12.8
463.17184	8.2
469.22119	5.0
497.21286	4.0
511.23355	11.6
595.29297	4.7
611.29016	6.7
629.26605	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	629.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
53.32798	2.6
55.01867	5.7
55.05272	3.9
55.05518	65.0
67.05504	5.5
69.03418	4.7
79.05478	12.0
81.07053	8.3
83.01347	3.7
83.04991	100.0
91.05493	28.7
93.07076	15.6
95.04961	12.7
95.08608	7.8
97.06527	3.7
103.05498	19.9
105.03396	7.6
105.07047	32.6
107.04966	5.2
107.08591	14.6
109.06517	7.1
115.05457	8.7
117.07062	13.3
119.04931	7.2
119.08598	40.3
121.06505	7.5
121.10203	3.3
128.06213	5.4
129.07028	8.7
131.04935	25.1
131.08580	16.7
133.06540	13.8
133.07455	2.4
133.10132	30.7
135.08055	10.0
141.07013	7.5
142.07816	13.7
143.08589	25.3
145.06473	10.6
145.10098	16.5
147.08075	13.2
149.05991	7.9
149.09628	11.8
153.06943	4.3
155.08580	17.4
156.09406	16.1
157.10146	51.4
159.08104	14.4
159.11685	23.6
161.05966	13.9
161.09578	9.5
163.07530	10.9
165.06955	5.7
165.09184	3.6
167.08485	6.5
168.09320	7.2
169.10149	26.8
170.10948	17.2
171.08058	9.3
171.11714	50.5
173.06003	3.4
173.09641	10.7
173.13316	5.2
175.07539	9.2
175.11224	3.1
177.05533	3.5
177.09094	11.2
179.07083	4.6
179.08554	5.0
180.09372	4.3
181.10179	7.1
182.11084	3.2
183.08115	5.3
183.11722	45.1
184.12321	3.8
185.09679	14.1
185.13245	31.9
187.07616	3.4
187.11186	12.0
189.09131	4.4
191.10680	6.1
192.09293	3.4
193.10156	8.2
194.10858	3.7
195.08162	5.9
195.11731	13.1
197.09618	8.9
197.13312	13.3
198.10484	3.5
199.07585	3.3
199.11240	18.7
201.09126	4.7
201.12741	11.4
204.09193	4.0
205.10193	3.8
205.12234	5.4
206.10889	6.1
207.11736	16.4
209.09729	4.2
209.13286	8.5
211.07539	3.5
211.11156	9.1
213.09122	5.8
213.12750	28.0
215.08707	3.3
215.10698	7.7
217.10167	7.2
217.12238	7.3
218.10928	4.9
219.11685	13.1
220.12485	7.8
221.13217	12.6
223.11203	11.1
225.09114	3.7
227.10635	6.8
229.10274	4.8
229.12245	11.4
230.10762	4.7
231.09843	4.3
231.11688	9.1
231.13823	10.8
232.12408	8.0
233.13269	12.8
233.15369	4.5
234.13910	6.3
235.11192	7.3
235.14827	7.4
237.12683	5.2
241.12160	3.4
242.10699	4.4
243.11652	8.6
243.13826	10.3
244.12466	9.7
245.09509	3.8
245.13216	18.9
245.15425	11.1
246.13849	6.1
247.11115	5.3
247.14859	10.1
248.11935	3.2
249.12759	7.6
249.16296	4.9
255.11562	5.0
256.12415	4.8
257.13272	13.5
258.14038	6.8
259.15045	27.1
260.11734	3.9
260.15530	10.2
261.12714	5.0
261.16403	8.2
262.13275	3.8
263.14212	5.4
269.13327	6.9
270.13986	10.8
271.14709	10.8
272.11908	3.2
273.16318	12.1
275.14273	7.0
275.17776	4.2
277.15970	3.7
283.14600	5.0
284.15540	5.2
285.12833	3.7
285.16333	10.8
286.17099	3.3
287.14243	6.3
287.17566	5.2
289.15891	4.1
293.15314	3.2
297.12524	5.5
298.13577	5.3
299.14243	8.5
299.17850	5.0
301.12256	4.3
301.15845	8.1
303.14148	4.2
303.17358	6.9
313.15698	12.5
315.17325	4.6
317.15271	4.3
319.16980	6.9
321.18460	3.2
327.17371	7.6
329.15366	6.6
329.18942	3.4
330.15961	4.6
331.16699	16.1
341.15289	4.2
343.16891	3.5
345.14722	4.5
345.18414	16.5
347.16434	12.6
349.17825	21.2
355.16699	6.3
357.18658	3.6
359.16418	37.5
359.20303	3.7
360.17139	3.3
361.17899	4.3
363.19443	11.8
367.18506	3.5
373.18030	42.9
377.17349	26.3
387.19476	8.1
389.17258	4.3
391.19098	33.9
393.21112	3.4
401.17462	14.4
403.19205	6.0
405.20517	13.4
409.19940	5.3
415.18988	6.3
419.18500	25.9
421.20062	7.5
423.21500	12.5
433.20132	38.4
437.19376	5.9
441.22400	3.4
451.21185	37.6
469.22278	19.5
511.22836	4.5
529.24402	7.5
579.25446	3.1
629.27496	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	629.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55685	3.8
53.03947	9.3
54.74437	2.9
55.01878	12.4
55.05515	84.1
67.05499	12.3
69.03438	16.7
69.07076	6.8
79.05488	22.1
79.40759	3.0
81.03426	16.0
81.07056	10.5
83.04990	100.0
85.06560	3.3
91.05490	56.2
93.03381	4.3
93.07060	24.9
95.01344	15.3
95.04984	26.5
95.08611	5.0
97.06486	4.9
103.05477	27.0
105.07037	51.6
107.04963	10.4
107.08618	12.8
109.06535	11.3
115.05450	18.7
116.06238	7.3
117.07020	21.2
119.04926	7.4
119.08599	40.7
121.02882	5.6
121.06516	22.6
121.10175	18.7
123.08096	6.4
128.06229	13.9
129.07018	21.3
131.04947	46.0
131.08563	34.1
131.96182	3.6
133.06488	35.2
133.10143	24.4
134.07269	4.3
135.08061	12.0
137.06087	3.9
141.07019	13.7
142.07806	14.3
143.04884	4.2
143.08597	31.4
144.05702	3.4
144.09363	4.6
145.06477	22.7
145.10143	23.1
147.08055	33.5
149.05988	13.4
149.09615	15.0
153.07022	8.8
155.08562	30.9
156.09344	29.0
157.06503	6.9
157.10144	53.0
158.10913	3.7
159.08069	36.5
159.11771	18.9
161.05989	55.4
161.09641	22.7
162.06810	17.1
163.07584	14.0
163.11250	5.1
165.06990	12.3
165.09146	14.3
166.07727	3.9
167.08606	5.1
168.09380	4.2
169.10147	27.7
170.10870	23.9
171.08067	29.0
171.11697	66.5
172.08850	14.0
173.05971	9.1
173.09612	33.7
173.13322	5.9
175.07584	9.6
175.11195	11.3
177.05505	11.9
179.07034	4.7
179.08543	8.5
180.09410	6.3
181.10092	10.6
182.07204	5.2
182.11020	4.4
183.08139	16.5
183.11720	49.9
184.08890	7.9
184.12405	5.6
185.05980	5.3
185.09602	27.6
185.13271	56.1
186.10371	4.3
187.07561	25.3
187.11276	17.8
189.05544	4.9
189.09158	8.2
189.12811	4.4
190.06221	6.9
191.10739	5.5
192.09370	5.0
193.10202	8.4
195.08113	6.6
195.11726	14.6
196.08878	8.0
197.09650	23.4
197.13281	12.8
198.10393	12.3
199.07620	10.1
199.11172	36.7
200.08310	7.0
200.11842	8.5
201.09135	12.9
201.12781	13.8
203.07027	5.0
203.08762	4.7
203.10707	7.4
205.10176	5.3
206.10896	7.8
207.08202	3.5
207.11702	8.6
208.08875	4.2
209.09636	6.3
209.13226	4.4
210.10341	3.8
211.07607	4.4
211.11249	17.3
213.09314	19.0
213.12770	95.3
214.09952	3.9
214.13417	4.9
214.73711	3.7
215.10741	10.9
215.14352	8.9
216.09416	5.1
217.10271	8.2
218.10915	3.7
219.11719	7.1
220.12457	4.6
221.09554	3.7
221.13397	7.1
223.11148	11.7
224.11850	5.0
225.09123	10.0
227.10789	5.9
228.07822	17.8
229.08380	4.4
229.10306	5.4
229.12222	9.1
230.11055	3.9
231.10017	7.5
231.13818	8.9
234.10411	3.8
235.11186	11.9
235.14885	5.6
236.12007	3.9
237.09233	5.7
237.12762	8.4
239.10722	6.3
241.08548	6.9
241.12311	11.0
243.11810	5.5
243.13893	9.1
245.13490	6.7
245.15462	14.8
246.10440	4.5
247.11189	8.3
247.13298	5.3
249.08957	3.7
249.12807	10.6
251.10693	8.3
253.12300	4.4
255.13809	9.9
256.12494	4.0
257.09500	5.1
257.15634	4.6
259.11026	6.0
259.13388	8.8
260.11865	4.8
261.12726	9.9
263.14221	3.9
265.12189	6.2
269.13300	7.1
270.14084	5.4
272.12061	5.9
273.12756	4.1
273.14923	33.1
277.12106	7.7
283.11124	4.9
284.12030	4.3
285.12964	7.8
285.16287	6.4
286.13513	7.2
287.14377	10.6
291.16080	11.0
297.12491	8.2
298.13480	6.6
299.14175	11.2
300.11566	4.4
300.15009	4.6
301.12442	5.4
301.15894	8.3
303.13910	5.1
303.17377	7.7
311.14346	7.6
312.15018	4.7
313.12589	4.4
313.15973	15.0
315.13724	8.1
315.17416	8.9
317.15317	9.4
325.15057	7.3
327.13657	5.1
327.17322	9.0
329.15356	8.0
329.18933	5.7
330.15924	4.7
331.16873	12.0
333.18478	5.8
341.15347	10.2
343.16907	18.2
345.18457	6.4
347.16452	4.6
349.18091	6.5
355.16959	5.6
356.18121	4.2
357.18582	11.8
359.16425	14.7
361.17999	7.0
373.18018	16.0
375.19608	6.6
377.17447	11.1
384.17154	5.3
385.17944	9.1
389.21249	4.8
391.19037	15.2
399.19373	4.5
401.17337	9.5
402.18262	13.0
403.19247	10.4
407.22211	4.5
415.19171	4.7
417.20676	11.0
419.18558	9.0
420.19318	8.0
433.20135	7.2
435.21759	12.8
451.21191	27.8
462.20218	9.8
480.21472	4.5
495.23715	6.7
511.23270	37.4
512.23853	7.8
528.00909	4.0
580.26068	5.3
594.27991	5.4
595.29034	20.9
611.29169	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	629.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.1
53.03944	6.6
55.01876	11.9
55.05512	70.2
57.92173	1.8
65.03937	3.6
65.06133	2.0
67.05489	8.5
69.03426	13.8
69.07060	7.9
70.66965	1.7
71.55879	4.3
77.03912	2.2
79.05489	18.2
81.03427	13.2
81.07049	10.9
81.44954	2.1
83.04983	100.0
91.05479	41.9
93.07047	24.5
95.01320	12.8
95.04980	21.4
95.08598	7.5
97.06517	4.7
99.04470	2.2
101.49238	1.7
103.05471	49.4
104.06207	1.8
105.03396	3.0
105.04555	2.4
105.07037	46.7
107.04932	8.1
107.08588	11.5
109.02869	2.2
109.06535	9.5
109.10157	5.5
111.04434	4.2
114.32581	2.6
115.03876	2.3
115.05430	14.2
116.06248	4.0
117.07015	19.6
119.04925	7.6
119.08595	35.9
121.06516	16.0
121.10146	16.4
123.04386	2.6
123.08045	7.1
128.06198	9.0
129.07007	20.4
130.07773	3.7
131.04933	84.7
131.08560	31.1
132.05696	1.9
133.06505	31.1
133.10135	27.8
134.07262	5.9
135.04378	4.1
135.08040	9.1
137.09598	4.3
141.06999	11.2
142.07768	15.3
143.08559	27.9
144.05550	2.2
144.09326	3.2
145.06488	22.1
145.10152	17.1
146.07246	2.2
147.04373	2.3
147.08043	24.1
147.11687	5.5
149.05983	10.1
149.09639	11.6
153.07025	5.4
154.07747	6.6
154.72124	2.0
155.08510	22.0
156.09322	23.3
157.06529	4.2
157.10127	41.7
158.07231	2.5
159.04460	2.3
159.08058	35.9
159.11662	14.4
160.08719	3.2
161.05974	42.3
161.09644	23.2
162.06757	12.3
163.07588	11.7
163.11168	6.0
165.06993	7.4
165.09088	20.3
166.07802	4.1
167.07117	2.9
167.08545	8.1
168.09344	4.8
169.06375	2.4
169.10107	23.3
170.10910	22.3
171.04303	2.3
171.08066	25.3
171.11676	64.3
172.08830	7.1
173.05939	6.2
173.09653	25.8
173.13298	5.9
175.07521	7.3
175.11148	5.8
177.05464	9.9
177.09163	3.7
178.06337	2.1
178.07724	3.2
179.06955	2.5
179.08488	7.3
180.09320	4.9
181.06609	2.7
181.08556	7.0
181.10126	9.2
182.07248	2.9
182.10901	4.2
183.08098	13.5
183.11700	39.2
184.08804	6.9
184.12437	3.6
185.06021	2.8
185.09637	20.4
185.13277	42.4
186.06688	2.3
186.10411	3.4
187.07568	17.7
187.11208	15.6
188.08263	2.4
189.05472	5.4
189.09093	7.5
189.12695	2.4
190.06226	2.3
191.06993	3.0
191.10532	2.9
192.09262	2.8
193.10083	8.0
194.10930	2.9
195.08008	5.4
195.11713	9.9
196.08916	2.9
196.12398	3.1
197.09645	17.9
197.11250	2.7
197.13269	14.9
198.06685	2.2
198.10349	8.5
199.07552	10.4
199.11163	24.6
200.08304	7.6
200.11922	4.4
201.09142	10.4
201.12752	13.5
203.06940	2.9
203.08681	3.3
203.10654	5.9
203.14383	2.5
205.08490	4.2
205.10217	3.6
205.12146	2.6
206.10973	5.7
207.11731	9.3
208.12453	3.8
209.09608	7.1
209.13295	5.3
210.10271	3.2
211.07523	4.4
211.11195	15.8
212.11990	2.7
213.09300	13.7
213.12737	70.0
213.99875	2.2
214.09821	4.5
215.07019	3.5
215.10648	5.9
215.14282	3.1
217.08418	3.9
217.10304	3.8
217.12273	4.7
218.10812	2.6
219.11754	2.4
220.12538	3.6
221.09610	7.4
221.13255	7.6
223.07585	2.7
223.11150	10.1
223.14743	3.2
224.11861	2.8
225.09152	9.9
225.12729	4.7
227.07069	2.8
227.10658	5.5
228.07671	10.5
229.08484	4.6
229.12239	7.8
230.10910	3.0
231.10083	5.2
231.11932	3.2
231.13802	7.5
232.08664	2.5
232.12315	3.7
233.09570	4.0
234.10382	2.8
234.14011	2.8
235.11140	7.3
235.14980	3.0
237.08987	3.3
237.12830	5.9
237.16444	2.6
238.09904	3.3
239.10658	5.4
239.14355	3.5
241.08540	4.7
241.12270	7.5
243.11649	5.7
243.13858	7.0
244.12436	4.6
245.09566	3.7
245.13385	3.6
245.15392	14.7
246.10385	2.8
246.14098	3.3
246.68129	2.1
247.11137	5.9
247.15080	3.3
248.11795	4.6
249.12708	8.2
251.10612	3.4
251.14354	4.4
253.12238	2.9
255.11716	3.1
255.13895	4.8
257.11475	4.5
259.11017	5.4
259.13385	6.8
260.11911	4.3
261.12726	7.0
261.16501	2.4
263.10699	2.4
263.14224	5.2
265.12332	6.0
265.15988	2.3
270.13962	3.9
271.11096	4.6
272.11887	4.3
273.12704	2.9
273.14893	23.4
274.13333	3.0
275.14316	6.0
277.12112	4.6
279.13950	3.4
281.13104	2.5
283.11166	4.3
285.12537	7.1
286.13510	5.2
287.14426	9.6
288.14948	3.8
289.12000	4.3
289.15701	3.3
291.15900	12.6
295.17191	2.9
296.11758	2.3
297.12616	8.1
298.13559	4.4
299.14264	6.9
299.17532	2.4
300.14990	4.2
301.12100	5.4
301.15866	6.1
302.16422	2.8
303.17261	4.3
305.15231	3.3
310.13412	3.6
311.14148	3.2
312.15045	4.3
313.12027	4.8
313.15762	11.1
314.16541	3.2
315.13644	6.5
315.17349	5.5
316.14587	4.9
317.15277	5.6
318.15500	2.6
325.15549	4.0
326.16510	2.8
327.13708	2.8
327.17316	6.5
329.15213	7.7
329.18781	3.2
330.16263	3.8
331.17078	9.8
339.17178	4.0
341.15323	7.6
342.16095	2.9
343.16821	11.9
344.17676	3.0
345.18454	5.5
347.16226	2.9
349.17941	2.8
351.17993	2.6
353.17499	2.7
355.16977	4.6
357.18378	8.0
359.16464	9.8
361.17981	4.6
373.17908	13.4
374.18552	3.9
375.19534	6.5
377.17474	3.9
385.18082	6.1
389.21182	4.8
391.19046	8.6
392.19797	2.9
401.17453	8.4
402.18161	7.3
403.19171	11.9
405.20786	3.8
406.21213	2.8
415.19171	2.3
417.20517	8.0
419.18509	11.7
420.19348	4.4
421.20230	3.7
433.20010	8.6
434.20905	3.8
435.21613	16.7
451.21194	21.4
452.21967	2.9
462.20093	9.2
463.17010	3.7
469.22507	4.9
480.21326	3.0
495.23941	5.4
497.21753	4.0
511.23318	25.1
512.23969	6.5
594.28094	5.7
595.29285	13.1
611.28918	23.2
629.23578	6.9
646.78302	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	629.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.4
55.01868	10.8
55.05515	74.7
56.18521	2.9
65.03963	3.3
67.05499	12.9
69.03427	11.4
69.07069	8.6
79.05502	19.2
81.03408	11.1
81.07062	4.6
83.04981	100.0
91.05477	45.7
93.07045	23.5
95.01337	15.2
95.04961	22.1
95.08642	6.7
103.05473	25.6
105.07030	41.5
107.04960	7.4
107.08597	10.4
108.06541	2.9
109.06523	10.4
115.05442	14.8
117.07019	19.4
119.04961	7.2
119.08576	38.8
121.06503	18.3
121.10111	15.8
125.06006	3.1
125.59280	2.6
128.06223	9.9
129.06990	16.5
130.07835	5.7
131.04930	45.4
131.08551	28.1
132.05688	4.6
133.06506	36.6
133.10170	22.3
134.07217	3.7
135.04439	3.5
135.08058	12.6
137.09604	6.8
141.07002	10.9
142.07732	15.9
143.08566	27.8
145.06483	22.5
145.10156	15.4
147.08055	30.5
147.11708	3.7
149.06015	11.6
149.09613	10.6
153.07050	4.3
155.08575	14.1
156.09349	21.7
157.06528	7.0
157.10146	38.5
158.07304	4.6
158.10876	4.2
159.08061	44.2
159.11703	12.2
161.05965	42.3
161.09639	23.8
162.06755	14.6
163.07515	9.2
163.11288	3.9
165.07007	7.1
165.09120	14.1
167.07109	3.3
167.08531	6.8
169.10136	24.8
170.10898	23.5
171.08018	25.2
171.11690	64.2
172.08853	9.2
173.06007	8.3
173.09587	22.7
173.13257	7.4
175.07518	9.1
175.11253	5.7
177.05467	10.9
177.09109	4.4
179.08594	10.7
180.09293	6.2
180.98694	3.0
181.08612	7.5
181.10097	7.3
182.10979	5.8
183.08076	11.0
183.11710	41.8
184.05342	3.4
184.08888	4.3
185.09653	22.7
185.13264	51.9
187.07536	22.0
187.11195	21.1
189.05524	5.1
189.09137	4.6
189.12682	4.9
193.10127	7.3
195.08090	4.7
195.11673	15.1
196.08725	4.8
197.09607	16.5
197.13274	14.7
198.10419	9.8
199.07555	10.2
199.11172	28.2
200.08272	8.2
200.11940	8.9
201.09143	7.1
201.12740	14.5
203.06985	3.9
203.08670	5.0
203.10648	8.1
205.10205	4.0
206.10942	7.1
207.11647	11.5
208.12544	3.6
209.09639	9.0
211.07599	5.1
211.11078	15.7
212.11955	3.7
213.09293	14.8
213.12750	81.2
215.10677	8.7
215.14351	4.8
217.10251	4.9
217.12189	5.3
218.10840	3.6
219.11813	5.1
221.13362	8.1
222.13998	3.2
223.11183	14.0
225.09158	8.2
225.12807	8.3
227.06888	4.0
227.10719	4.6
228.07819	13.1
229.08440	4.5
229.12250	8.0
231.09991	4.9
231.11885	4.1
231.13800	8.7
232.12428	5.0
235.11098	6.7
235.14964	6.1
236.12012	3.9
236.32028	2.9
239.10735	5.4
241.08473	6.4
241.12263	11.9
243.13837	8.7
244.12379	3.8
245.13344	3.7
245.15388	17.4
246.10381	4.1
247.11180	5.0
247.13338	4.2
249.12875	10.7
251.10446	3.4
255.13861	7.4
258.10425	3.9
258.14038	4.5
259.13229	15.5
260.11774	5.8
261.12671	6.1
265.12115	7.8
272.11942	4.0
273.12512	5.0
273.14862	32.4
275.14108	5.3
277.12280	4.6
277.15536	3.3
283.10889	3.4
284.11847	3.5
285.12653	5.4
286.13477	6.2
287.14249	11.3
289.12238	5.8
289.15775	5.0
291.15921	11.9
297.12512	5.4
298.13544	3.5
299.14328	4.6
301.12363	5.7
301.15869	6.2
303.13730	4.8
311.14029	5.1
313.12335	3.8
313.15854	11.0
315.13739	5.6
315.17487	7.8
317.15329	5.9
325.14758	4.6
327.17389	10.9
329.15460	6.1
329.19110	5.3
330.16241	3.9
331.16882	16.6
333.14777	4.1
339.16971	5.0
341.15253	6.2
343.13165	4.3
343.17078	14.8
345.14627	4.5
345.18481	8.5
347.16306	6.0
351.17908	3.4
355.16849	8.0
359.16306	11.1
361.17697	6.3
369.14938	5.8
373.17953	18.4
374.18723	5.6
375.19824	3.9
377.17429	8.2
384.17288	4.9
385.18124	5.2
390.18011	3.3
391.18948	8.0
401.17542	6.9
402.18228	9.1
403.18964	10.6
405.20322	5.2
407.21863	5.1
417.20496	8.6
419.18445	8.8
420.19342	6.8
433.20026	6.4
434.20651	4.6
434.46368	3.6
435.21570	13.8
437.19550	4.8
451.21130	19.3
452.21594	5.7
462.20285	13.5
480.21259	5.1
493.22433	4.3
495.23651	8.2
511.23288	36.0
512.24390	3.4
580.25751	3.7
595.29193	15.2
611.28345	18.7
624.40735	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	629.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79310	0.7
51.02380	1.4
53.03944	2.9
55.01888	4.4
55.02104	1.0
55.05512	11.6
59.63385	0.7
65.03945	1.0
66.59521	0.8
67.05501	2.5
69.03432	3.2
69.07073	6.6
79.05494	6.5
81.03430	5.4
81.07107	1.8
83.04986	17.9
89.28532	0.9
91.05487	8.9
93.03401	1.0
93.07048	7.3
95.01334	2.7
95.04969	8.5
95.08624	2.6
97.06502	1.0
102.04697	0.9
103.05479	44.3
105.07045	13.5
107.04962	2.4
107.08587	3.9
109.02885	1.3
109.06517	2.4
115.05464	3.8
117.07024	6.9
119.04915	1.3
119.08589	10.9
121.02895	0.9
121.06493	4.9
121.10150	2.7
123.08060	2.2
128.06245	3.7
129.07008	4.0
130.07791	1.8
131.04936	100.0
131.08585	7.3
133.06503	7.9
133.10136	7.0
135.08073	8.7
137.05989	1.1
137.09558	1.2
139.07545	0.9
141.06969	2.0
142.07800	4.4
143.08553	9.0
145.06506	6.7
145.10136	8.9
147.04514	0.9
147.08044	6.3
147.11697	1.8
149.05957	0.9
149.09598	4.8
154.07765	1.2
155.08528	5.6
156.09334	5.6
157.10147	12.2
158.07262	1.8
159.08078	8.0
159.11705	3.1
161.05991	7.7
161.09589	5.3
163.07547	18.1
163.11209	2.6
165.07002	1.5
167.08536	2.1
168.09290	1.1
169.10143	6.2
170.10919	6.4
171.08072	16.5
171.11714	12.3
172.08836	2.5
173.09622	10.7
173.13348	1.2
175.07584	2.3
175.11240	3.0
177.05472	3.0
177.09071	1.7
178.07823	1.2
179.07137	1.3
179.08556	1.8
180.09294	1.6
181.10129	3.2
182.10950	1.3
183.08098	4.2
183.11664	11.3
184.08748	1.5
184.12541	0.9
185.09654	8.1
185.13272	11.3
186.10385	1.0
187.07516	1.3
187.11180	4.2
189.09113	2.8
189.12778	2.0
191.07019	1.0
191.10681	2.8
193.10201	1.9
193.12151	0.9
195.08122	1.1
195.11699	4.1
196.08875	1.0
197.09628	3.1
197.13278	5.1
198.10429	4.6
199.07486	1.8
199.11188	8.5
200.11935	6.8
201.09164	7.5
201.12749	2.4
203.06949	1.5
203.10716	3.2
205.12083	0.9
206.10893	1.4
207.11618	1.9
209.09642	1.4
209.13358	1.9
210.10490	1.2
211.07686	1.5
211.11188	4.6
211.14842	1.1
213.09476	1.6
213.12746	40.1
215.10628	2.3
215.14294	2.0
216.09346	1.2
217.08575	13.1
217.10378	1.2
217.12190	1.7
218.10947	1.3
219.09941	1.2
219.11780	1.4
220.12538	1.3
221.09721	1.6
221.13222	3.9
223.11229	2.9
223.14815	1.1
224.11929	1.0
225.12794	1.2
227.10635	1.4
229.08559	8.2
229.12294	2.5
230.11015	0.9
231.11835	1.6
231.13649	5.0
232.08887	1.0
232.12416	1.3
233.13322	2.5
235.11154	1.3
235.14929	2.9
237.12782	1.3
237.16400	1.6
239.10797	1.8
239.14137	1.4
241.12263	4.2
243.11848	1.7
243.13910	3.2
244.12581	1.4
245.13368	1.9
245.15486	2.6
246.10490	1.0
247.11124	1.8
247.14952	1.4
248.15616	1.2
249.12732	1.5
249.16310	1.1
251.14343	1.2
253.15964	1.5
255.11659	1.0
256.12332	1.6
257.11551	1.7
258.14120	1.4
259.13266	36.9
263.14279	2.0
270.13885	1.1
271.11057	1.0
272.12057	1.0
272.15475	1.0
273.14920	1.7
275.10788	1.1
275.14249	1.8
275.17886	1.5
277.15936	1.2
283.14789	1.2
285.16299	1.5
287.17828	1.3
289.12503	0.9
289.15915	1.4
298.13501	1.1
299.14429	1.4
300.15109	1.4
301.15897	2.0
303.17307	1.9
305.15329	1.1
313.15921	1.4
314.16507	1.3
315.16776	1.1
315.20038	1.7
317.15469	1.7
317.19052	1.7
327.17371	1.7
329.15280	1.5
329.18866	1.3
331.16870	5.0
335.16141	1.0
339.17142	1.2
343.16885	2.9
345.18451	1.9
347.16373	1.5
347.20102	1.9
349.18063	1.7
357.18301	4.2
359.16364	1.7
361.17932	7.6
363.19366	1.5
373.17953	4.2
375.19669	7.8
377.17444	2.9
379.19330	1.1
385.18039	3.4
387.19321	1.2
391.19064	3.7
393.20560	2.1
401.17398	1.3
403.18982	13.0
405.20566	2.5
407.18549	1.6
409.20056	1.0
419.18558	2.5
421.20105	33.7
422.20374	1.1
423.21429	1.2
433.20175	4.2
437.19604	1.1
439.21191	1.9
441.22726	1.2
451.21335	4.1
469.22375	3.5
481.22256	22.4
611.28607	1.1
627.66248	1.1
629.27136	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	629.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16764	0.8
55.05514	1.2
67.05522	4.4
69.07067	1.2
71.08614	1.3
71.56506	0.9
75.06123	0.9
79.05495	3.3
81.03387	0.9
81.07037	5.2
83.04980	1.4
83.08597	1.7
91.05469	2.4
93.07050	2.1
95.08620	1.3
105.07052	2.7
107.08587	1.7
109.10178	2.0
119.08581	2.2
121.10134	1.7
133.10156	2.2
135.11707	1.3
145.10136	1.3
147.11661	1.2
158.14032	1.0
193.09077	1.0
295.10492	0.8
425.15942	5.8
426.16946	2.0
427.18054	2.4
438.17239	2.1
439.17923	9.6
440.18710	7.0
441.19022	2.4
442.20007	2.1
452.14792	3.9
453.15463	27.8
454.21024	4.5
455.20901	31.1
456.21170	2.6
466.16287	2.9
467.17065	32.1
468.17761	9.9
481.18442	7.8
482.19205	39.3
483.20050	3.0
485.18219	1.7
494.18674	2.3
495.20795	2.1
508.19052	1.2
509.21722	1.4
514.21802	1.9
524.21594	3.1
525.22729	6.7
526.21588	1.2
528.23694	2.3
536.36578	1.1
537.20850	1.1
541.23907	3.3
553.22119	57.1
554.22034	3.1
569.23993	88.5
570.24152	4.5
597.22095	1.5
600.22229	2.3
601.26746	4.2
628.46112	1.4
629.25909	100.0
630.26080	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	629.2383
Annotation	Gnidicin
Peak:m/z	Relative Intensity
51.02382	0.7
53.03955	1.7
54.33602	0.3
55.01878	2.5
55.05517	2.3
57.03431	0.3
65.03934	0.5
67.05521	1.8
69.03431	0.8
77.03947	1.0
79.05502	2.8
81.03418	2.2
81.07061	0.9
83.04992	3.6
84.05320	0.4
91.05480	4.4
91.06010	0.3
93.07040	1.7
95.01337	1.1
95.04974	4.8
95.08619	1.1
97.02907	0.8
97.06512	0.3
102.04648	0.5
103.05474	43.3
105.03403	1.6
105.04521	0.9
105.07038	7.3
107.04939	1.5
107.08591	1.0
109.06512	1.3
109.10197	0.4
111.04458	0.4
115.05458	3.2
117.07034	3.0
119.04947	0.9
119.08572	2.0
121.02850	0.4
121.06507	1.9
121.10205	0.4
123.04410	0.6
123.08064	0.9
123.54183	0.3
125.05991	0.6
128.06223	2.0
129.07027	2.9
130.07784	0.3
131.04936	100.0
131.08565	2.2
132.05287	0.5
133.06497	6.1
133.10124	0.9
134.07167	0.2
135.04427	0.6
135.08066	2.4
137.05988	0.7
139.03960	0.3
141.06982	2.1
142.07767	2.2
143.08578	3.7
144.05716	0.4
144.08090	0.4
145.06493	4.5
145.10132	1.0
146.07277	0.5
147.04471	0.4
147.08043	2.3
149.06026	1.4
151.07565	0.6
152.06192	0.4
153.05754	0.4
153.06944	1.5
154.07805	1.4
155.06096	0.4
155.08583	1.8
156.09370	1.8
157.06514	1.6
157.10144	3.1
158.07257	0.7
159.04439	0.6
159.08066	3.4
159.11719	0.8
161.05994	11.1
161.09613	1.4
162.06792	0.6
163.07544	4.7
165.06966	1.5
166.07803	0.7
167.08551	1.7
168.05591	0.4
168.09343	0.4
169.06490	1.7
169.10118	3.7
170.07251	0.5
170.10889	1.0
171.04437	0.3
171.08092	2.5
171.11684	2.5
172.08804	0.8
172.12149	0.4
173.06004	1.1
173.09644	1.8
173.13298	0.3
175.07539	1.4
175.11269	0.3
177.05533	0.4
177.09126	0.4
178.07831	0.7
179.07057	1.3
179.08582	2.4
180.09401	0.8
181.06529	1.0
181.10114	1.1
182.07307	1.2
183.08066	2.4
183.11699	1.9
184.08870	1.6
185.06041	1.4
185.09621	4.6
185.13292	1.0
186.10437	0.6
187.07579	1.7
187.11243	1.0
189.05511	0.6
189.09132	1.1
190.07779	0.4
191.08640	0.4
193.10147	1.2
194.10852	0.4
195.08086	2.3
195.11729	1.1
196.08884	1.4
197.05956	0.7
197.09637	5.1
197.13281	0.9
198.06737	0.4
198.10324	0.6
199.07552	2.6
199.11183	8.5
200.11783	0.4
201.09148	1.0
201.12770	0.9
202.07674	0.3
203.06993	0.9
203.10590	0.3
205.08554	0.4
205.10262	0.6
206.07265	0.4
207.06427	0.4
207.08093	2.8
207.11722	0.8
208.08900	1.5
209.06157	0.4
209.09624	3.0
211.07635	1.8
211.11261	1.4
212.08315	0.7
213.05649	0.6
213.09151	4.4
213.12643	2.3
214.09824	0.5
214.13019	0.3
215.07036	0.8
215.10654	2.0
215.14392	0.3
217.08444	1.5
217.12144	0.4
218.11090	0.3
219.11777	0.5
221.06041	0.4
221.09671	0.8
221.13196	0.4
222.10315	0.4
223.07596	2.9
223.11107	2.0
224.08351	0.9
225.05516	0.8
225.09108	9.7
225.12579	0.5
226.09926	0.6
227.07048	1.0
227.10669	1.8
229.08461	0.5
229.10396	0.4
229.12254	0.6
230.10886	0.5
231.06380	1.3
231.10091	0.5
232.12465	0.3
233.09657	0.8
235.07568	2.8
235.11224	0.9
237.09099	1.4
237.12741	0.8
239.06990	0.6
239.10681	1.5
241.08540	4.6
241.12315	0.5
243.09935	1.5
245.07787	1.5
245.13438	0.6
247.07574	0.4
247.11322	0.6
248.12029	0.4
249.09187	1.0
249.12787	0.7
251.07014	1.5
251.10632	0.7
253.08365	1.7
253.12370	0.3
255.09985	1.9
257.07928	2.5
257.11874	0.9
258.08917	0.9
259.09323	1.7
260.11865	0.3
261.09103	0.7
261.12656	0.8
262.09970	0.6
263.10767	0.7
263.14417	0.5
265.08475	0.6
265.12515	0.4
267.07373	0.5
267.09998	3.1
269.07767	1.3
271.09457	0.5
272.12009	0.5
273.12390	0.5
273.15100	0.8
274.09879	0.5
275.09137	0.3
275.14334	0.4
277.12375	0.5
279.10284	0.5
281.11932	0.6
282.10596	0.4
283.09396	1.3
283.14865	0.5
285.11179	2.7
286.13489	0.4
287.14310	0.6
288.11426	0.4
289.08600	0.3
289.12216	0.4
291.10367	0.6
296.11899	0.6
297.12567	0.8
298.13589	0.5
299.10721	0.5
299.14252	0.4
300.11469	0.5
301.10757	1.8
301.15833	0.6
303.12842	0.6
303.17236	0.5
311.14249	0.8
313.12399	0.6
313.15799	0.8
314.12814	0.4
315.10416	0.3
315.13797	1.2
317.11893	0.5
324.11395	0.5
325.12198	0.4
327.09695	0.4
327.13708	0.5
327.17404	0.6
329.11865	0.4
329.15390	1.2
331.13269	0.6
331.16980	1.0
333.14719	0.6
339.13785	1.1
341.11594	0.4
341.15356	0.6
343.13290	0.8
345.11487	0.4
347.16513	0.8
355.13373	0.4
357.14841	1.1
359.16364	0.6
361.14249	0.5
367.13297	0.8
371.12738	0.5
371.20139	0.6
373.14169	0.6
375.15930	1.2
377.17551	0.9
385.14233	2.1
389.13593	0.3
389.21182	0.6
391.15234	0.7
393.17233	0.5
395.12543	0.4
399.15451	0.3
401.13876	0.7
403.15271	3.3
407.22351	2.0
413.13809	1.4
417.17194	0.7
419.14905	1.1
421.16589	1.2
427.15182	0.4
431.14825	2.4
433.16522	1.2
435.17780	0.5
445.16583	2.3
449.15747	2.9
451.17151	0.5
453.19232	0.3
463.17535	10.6
481.18610	4.9
525.22540	0.3
551.20282	0.3
569.21887	0.4
593.21600	0.8
595.28430	0.3
597.21173	1.3
611.22571	6.3
611.31342	0.5
629.23792	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	629.2246
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
53.59554	0.5
55.01875	0.5
57.75787	0.5
64.77551	0.5
70.89227	1.2
70.89555	0.5
79.05496	0.6
81.03461	0.6
83.04984	1.1
91.05505	0.7
93.07043	0.5
95.04968	0.6
95.08611	0.9
103.05493	1.1
105.03397	0.6
107.08599	0.9
121.92966	0.5
131.04962	3.0
131.08531	0.6
134.34892	0.6
147.08134	0.6
161.09679	0.6
171.08043	0.6
171.11713	0.6
173.09679	0.6
377.60675	0.6
396.12183	1.9
397.13071	1.8
398.14383	1.0
399.14389	0.9
407.22296	0.6
409.13284	0.8
410.13712	2.9
411.14520	7.7
412.15286	4.5
413.16159	4.2
423.14728	2.0
424.15469	2.3
425.16296	15.6
426.17004	10.0
427.17966	4.0
428.18549	4.5
437.16632	1.0
438.13315	3.2
438.18051	1.0
439.13687	23.6
440.19193	7.8
441.19305	43.5
442.19742	1.7
451.14066	0.8
452.14478	4.0
453.15390	26.4
454.15866	6.3
455.21387	1.1
456.17963	1.8
457.15039	0.9
463.13742	0.9
465.15161	1.1
466.16000	0.6
467.17184	32.4
468.17990	25.3
469.18927	12.5
471.16675	1.6
480.17847	1.1
481.14743	12.3
482.16138	2.0
483.16467	0.7
484.21497	4.0
485.18387	2.7
486.19308	0.7
494.17334	0.7
495.16602	1.7
495.20572	0.6
496.17270	11.4
497.18048	1.4
498.18872	1.7
499.19949	1.0
500.20615	6.3
508.19696	0.6
509.18295	1.2
512.21191	3.0
513.21796	7.7
514.22211	1.6
523.19757	1.7
525.20746	0.6
526.18964	0.7
527.19232	0.6
528.19934	1.3
537.18622	0.9
539.19214	0.7
540.20459	0.6
541.20868	49.8
542.21344	1.9
553.20721	1.0
562.56879	0.5
568.19452	0.6
569.20325	100.0
570.20483	4.8
572.18799	1.1
573.23444	2.9
597.19812	35.0
600.22021	1.7
601.22955	17.5
601.31683	0.5
629.22369	95.7
630.22668	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	628.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16193	1.4
53.03931	4.8
55.01860	2.2
55.05274	3.2
55.05515	42.7
55.28833	1.6
57.03422	3.3
57.07067	3.5
58.18212	1.5
58.94041	1.4
59.04988	1.5
59.47654	1.4
60.49327	1.3
63.99089	1.6
65.03944	1.5
67.05183	1.7
67.05509	20.5
68.05840	2.2
69.07065	8.9
69.24736	12.8
69.25145	2.5
69.42551	1.5
70.07393	1.7
71.04987	2.2
71.08626	1.9
79.05494	14.5
81.03406	1.8
81.06653	2.2
81.07066	27.5
82.07378	3.1
83.04987	100.0
83.08604	5.6
85.06512	1.4
85.10178	2.7
87.04458	3.4
89.06033	34.0
89.69450	1.7
91.05467	12.9
92.05772	2.3
93.07052	16.8
94.07381	2.2
95.04953	2.4
95.08613	11.4
96.08939	2.1
97.10151	7.1
105.07032	11.1
107.04979	2.0
107.08620	10.8
109.06493	4.5
109.10174	7.4
117.07047	4.1
119.08578	10.3
121.10144	8.5
123.07991	1.8
123.11648	1.7
125.09621	2.8
127.39786	1.6
131.08569	5.7
132.08894	2.0
133.08618	24.0
133.10143	8.7
135.08092	1.8
135.11694	7.3
142.56578	1.5
143.08554	2.4
145.10114	6.9
147.11690	5.9
149.09605	1.8
159.11679	4.2
161.13222	3.7
171.11694	3.1
177.11267	8.6
177.12636	2.2
180.03072	1.6
187.14879	1.7
193.12265	2.7
239.17787	1.8
259.20551	1.9
261.22220	2.0
275.20148	3.2
276.20529	2.6
307.54700	1.7
335.25629	6.1
336.26111	2.6
349.23706	2.1
379.26431	3.3
415.25482	16.9
433.30756	2.0
447.52615	1.9
461.30478	5.7
479.31619	44.9
489.36075	2.0
498.25244	1.9
530.39124	3.5
583.00031	1.6
610.45502	9.1
628.27081	1.7
628.46802	13.2
642.14996	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01870	2.3
55.05495	6.1
57.07064	3.3
63.94159	1.4
67.05511	9.8
69.03416	6.1
69.07056	6.2
69.63434	7.8
71.04992	3.3
71.26021	1.8
71.26392	1.4
74.09686	2.5
78.42645	1.4
79.05501	17.3
81.03410	6.5
81.07065	39.8
83.04971	6.8
83.08605	2.1
85.06536	1.7
91.05492	14.6
93.07048	14.6
95.04959	6.1
95.08642	7.8
97.06521	3.2
103.05462	9.2
104.09715	1.5
105.07030	18.8
107.04953	4.0
107.08605	18.1
109.06519	13.3
109.10187	7.8
111.08063	2.1
115.05441	1.7
117.06998	6.7
119.08590	14.1
121.06479	6.4
121.10184	7.4
122.07242	2.2
123.08035	4.2
125.09633	1.5
129.06998	6.9
131.04951	10.8
131.08574	15.9
133.10132	12.1
135.08052	28.1
135.11661	4.1
137.09631	11.9
141.06979	3.0
142.07802	2.4
143.08595	11.8
144.09290	2.5
145.06471	1.7
145.10127	18.7
147.08066	4.6
147.11652	5.0
149.09641	19.8
151.11197	1.8
154.40927	1.5
155.08571	5.9
156.09309	3.6
157.10158	15.9
159.08069	4.0
159.11700	12.4
161.09680	8.2
161.13284	3.5
163.11201	5.3
165.06982	1.7
167.08481	1.5
169.10115	11.1
170.10835	2.4
171.11671	7.0
172.08832	1.9
173.09616	7.4
173.13251	6.0
175.11188	8.0
177.09126	2.1
177.12683	3.0
179.08530	1.7
179.10648	1.9
180.09309	2.5
181.10178	5.8
182.10809	2.9
183.11700	11.1
185.09575	3.0
185.13281	8.8
186.10457	3.0
187.11226	7.7
187.14742	2.2
189.12747	4.7
191.10756	2.2
193.10115	2.6
193.12282	3.4
195.08041	1.6
195.11716	7.0
197.09531	2.9
197.13234	9.1
199.11220	4.2
199.14824	5.0
200.11835	2.1
201.12761	13.4
203.14388	2.4
207.11688	5.1
208.12511	2.2
209.09650	1.8
209.13298	2.2
211.11180	2.7
211.14871	3.6
213.12762	9.0
213.16425	2.6
215.14241	4.2
217.12285	1.7
220.12518	2.1
221.13266	3.1
223.14746	2.9
225.12781	2.8
225.16370	11.3
227.14340	4.8
233.13315	2.7
235.14795	2.0
239.14243	5.2
241.15892	7.3
243.17479	25.6
253.16006	2.9
255.21411	1.7
257.15283	2.1
265.15887	2.3
267.17545	4.5
275.20367	2.1
279.17651	1.6
281.18985	2.7
285.18576	14.3
300.58185	1.8
305.18817	2.6
307.20508	6.5
323.20004	2.9
325.21381	4.3
333.21994	2.6
347.23669	3.0
349.21411	8.0
351.23102	9.0
357.18478	2.5
357.22232	2.3
365.24585	4.3
371.22000	1.7
375.23251	10.9
393.19510	2.7
393.24255	28.0
421.27206	2.3
447.28979	5.1
461.27615	2.2
465.30005	10.8
479.27957	100.0
481.29498	3.1
610.27539	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	628.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07911	3.5
51.68865	3.4
52.80401	3.1
53.03942	4.2
54.47766	3.2
55.01865	13.5
55.05521	55.8
56.05841	3.9
59.92791	2.9
67.05507	7.8
68.89281	3.2
69.07072	4.7
69.47635	24.6
79.05521	17.0
81.03426	9.7
81.07050	6.2
83.04492	5.0
83.04990	100.0
84.05305	3.8
91.05493	28.8
93.07034	10.6
95.01351	4.5
95.04968	15.4
95.08609	4.2
97.06544	3.5
98.20695	3.2
100.06782	3.1
103.05463	12.2
105.07063	22.0
106.07362	5.3
107.04945	4.3
107.08602	16.1
109.06542	9.1
109.10110	5.9
109.61610	3.4
115.05459	9.5
117.07043	18.7
119.08588	26.7
121.06523	7.2
121.10184	6.2
128.06229	6.9
129.07018	17.4
131.04909	24.7
131.08591	16.5
133.06439	4.9
133.10149	22.2
135.08060	10.1
141.07016	4.5
142.07768	11.4
143.08588	18.7
145.06473	23.1
145.10117	18.8
147.08043	63.8
149.09634	8.7
153.07056	4.6
155.08580	6.2
156.09302	7.4
157.10156	34.2
158.10448	4.8
159.08083	27.0
159.11658	9.6
160.08348	5.0
161.05969	5.5
161.09607	33.6
163.07591	18.7
167.08612	6.4
169.10147	13.7
170.10870	10.8
171.08075	12.0
171.11700	49.5
172.12100	8.6
173.06021	5.0
173.09579	23.5
175.07564	13.9
179.10701	5.3
180.09158	4.3
180.54567	3.6
181.10118	8.4
183.08080	4.6
183.11697	26.0
184.12035	5.2
185.09662	21.8
185.13286	30.4
186.13589	6.9
187.11151	11.6
191.10645	4.0
193.10167	7.9
195.11853	7.4
197.09590	6.9
197.13184	9.2
198.10362	4.8
198.13612	3.4
199.11194	25.7
201.09132	5.9
201.12689	5.6
203.10689	4.8
206.10854	4.6
207.11736	7.5
208.12448	3.9
209.09494	7.0
209.13287	5.3
211.11188	9.5
213.09161	6.5
213.12764	37.2
214.13156	4.9
215.10629	4.2
217.12074	7.1
218.10760	4.3
221.13263	4.7
223.11301	6.7
225.12773	3.8
227.10837	4.7
229.12164	6.0
231.11772	4.8
231.13744	20.9
233.13399	5.8
235.11200	5.0
241.12244	10.0
244.12283	7.0
245.11853	11.0
245.15459	10.5
247.11110	3.8
247.15115	3.8
259.11026	4.7
259.13068	21.5
261.12753	5.8
262.13629	3.3
263.14227	4.8
273.12320	3.8
273.15033	4.9
277.14426	18.6
285.12885	4.5
287.14148	6.2
289.15570	4.5
299.14304	6.3
300.14978	5.5
301.15842	8.0
302.16733	3.9
303.17346	4.7
312.14948	5.8
313.15875	4.9
315.17508	5.9
316.17819	8.2
317.19064	5.4
327.17548	5.8
330.19232	5.0
341.19202	4.3
345.18530	7.9
357.18390	5.7
358.18909	3.9
359.20132	4.5
369.18692	4.9
375.19345	6.7
376.20273	6.6
377.16721	4.3
377.21219	9.1
380.23032	5.7
387.19659	33.9
389.21109	8.4
390.21277	6.6
393.20767	5.3
405.15790	5.3
405.20630	48.8
408.22473	6.5
423.21661	34.1
437.19269	4.9
447.21841	7.0
465.22723	19.1
483.23801	23.3
565.27936	18.0
583.28973	23.4
652.20288	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	628.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01867	3.5
55.05502	2.2
56.05023	2.9
65.81049	1.4
67.05502	2.7
69.03136	1.2
69.03438	13.4
69.07042	3.3
69.21199	11.3
70.06578	3.8
72.04503	3.3
74.06087	5.9
79.05516	5.8
80.05018	1.3
81.07063	7.2
82.02947	12.3
82.06574	1.2
83.04955	2.5
85.02903	2.4
91.05481	9.7
93.07050	7.2
95.04965	2.6
95.08595	5.1
97.06552	1.6
98.06062	13.6
98.21539	1.9
100.07638	1.2
105.07041	9.8
105.67915	1.0
107.08569	4.5
108.04485	1.9
109.06538	2.2
109.10122	3.1
110.06007	1.9
113.06001	4.5
115.05479	2.6
117.07020	8.1
119.08594	13.8
121.06480	2.6
121.10155	4.7
122.06042	1.4
126.05524	100.0
128.06209	2.8
128.07063	1.3
129.06981	4.9
131.08582	6.3
133.06517	2.3
133.10147	7.8
135.08037	3.0
137.09575	2.1
141.06952	2.9
142.07770	3.7
143.08572	7.7
145.06487	4.0
145.10104	6.1
147.08060	7.2
147.11682	2.5
149.09650	2.2
152.07065	1.7
155.08524	3.7
156.09412	5.3
157.06351	1.4
157.10146	9.7
159.08051	7.5
159.11690	3.8
161.09598	7.3
162.09045	1.4
165.07011	2.3
165.09128	1.3
167.07193	1.2
167.08594	2.3
169.10117	4.3
170.10907	4.6
171.08038	3.8
171.11682	16.2
172.08786	2.3
173.09621	7.7
173.13278	1.6
175.11142	1.8
176.10672	1.9
177.09116	1.3
178.12332	2.5
179.08522	2.8
179.10664	2.4
180.10266	1.5
181.10078	4.0
183.08047	3.8
183.11688	8.5
184.08835	2.8
185.09621	4.8
185.13240	9.8
186.09099	2.4
187.11212	3.0
187.14737	1.7
188.10672	12.6
192.09477	1.2
193.10187	2.7
194.10982	1.6
195.07980	1.9
195.11691	4.6
197.09650	5.8
197.13266	1.8
198.10431	2.7
199.11212	14.3
200.12070	1.4
201.12714	1.3
202.12357	1.7
203.08517	1.2
204.10158	4.8
206.11797	27.4
207.11702	3.8
209.09660	2.7
209.13283	2.7
211.07410	1.2
211.11198	4.6
213.12761	20.0
214.08629	2.6
215.14238	1.4
217.10199	1.4
218.11591	3.5
219.11697	3.1
220.13387	7.8
221.09685	1.9
221.13242	3.7
222.10602	1.4
222.13892	1.2
223.11153	3.4
223.20549	2.0
224.12050	1.7
225.09152	1.5
225.16226	1.2
227.10632	1.5
229.10178	1.5
229.12271	1.2
230.11031	1.5
231.11855	2.2
231.13835	4.2
232.09648	8.2
232.12497	2.4
233.09521	2.1
233.13257	4.4
234.11008	1.3
235.11203	2.7
235.14844	2.4
236.11914	1.5
236.15726	1.2
237.12663	2.8
241.12222	1.3
243.11632	2.9
244.13004	4.0
245.13316	5.0
246.10875	2.2
246.14023	2.2
247.11086	3.5
247.14798	4.3
248.12646	1.3
248.15662	1.2
249.12749	3.8
249.16417	1.5
250.09889	1.2
251.14421	1.4
256.13269	4.1
257.13394	1.4
258.14282	2.4
259.10980	2.2
259.14764	5.7
260.12051	3.0
260.15543	2.7
261.12747	4.2
261.16492	2.5
262.13635	3.5
263.14374	2.7
263.17758	1.7
265.12210	3.6
268.12805	2.2
269.13409	1.5
269.21097	1.9
271.10995	1.5
271.14920	2.4
272.11984	1.5
273.12857	1.4
273.16479	3.5
274.14227	4.3
274.17032	1.9
275.14209	3.7
275.17603	2.8
276.15109	2.0
277.15820	4.3
279.13699	1.8
284.12622	3.0
284.15692	2.2
285.12897	1.2
285.16107	1.8
286.14240	3.0
287.14285	6.8
289.15891	2.8
290.16718	1.7
291.17517	5.2
298.14255	3.3
299.14160	1.3
301.15878	5.7
302.16656	4.2
303.17432	1.6
304.15085	1.5
305.15332	2.4
313.49347	1.3
314.17328	1.2
319.16751	4.1
320.17612	1.2
338.18289	1.5
346.17932	1.3
350.17572	1.2
364.19141	1.4
386.21115	3.1
388.18512	1.4
388.22958	2.5
400.22708	4.4
402.24411	2.4
404.22327	2.9
410.21143	1.5
416.22171	4.1
418.23666	4.8
428.22296	14.1
434.23212	2.0
436.24731	1.6
446.23300	28.6
464.24313	24.7
480.93845	1.2
482.25156	5.6
488.23819	1.4
504.27829	1.2
506.25266	12.5
514.25336	3.0
524.26453	39.1
532.26807	2.5
542.27496	7.5
550.28046	2.6
582.30597	1.4
592.29059	9.4
610.30109	98.0
611.29956	2.9
628.31085	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12302	2.7
55.01870	4.3
55.05312	2.9
55.05518	35.4
63.16978	3.0
67.05515	3.1
69.03442	5.4
79.05508	12.4
81.07054	8.1
82.02461	5.3
82.02948	100.0
83.04984	51.8
84.04493	4.0
85.02937	3.0
91.05494	14.7
93.07053	7.8
94.37553	3.2
95.04978	7.1
95.08608	4.4
100.94365	3.2
105.07053	18.4
107.08604	11.2
115.05450	3.7
117.07019	11.4
119.05006	3.9
119.08550	17.7
121.10139	4.3
128.06216	3.4
129.07007	10.3
131.04945	6.4
131.08583	20.5
132.08130	5.8
133.06526	6.3
133.10126	5.9
134.09671	5.9
135.08081	5.9
136.07596	4.0
143.08588	15.2
143.90474	3.3
145.06471	8.4
145.10150	10.0
146.09627	4.5
147.08034	10.2
149.09637	6.9
155.08583	8.4
156.09340	7.6
157.10146	20.1
159.08044	9.1
159.11693	21.2
160.07571	14.0
161.09654	5.9
162.09155	90.4
167.08556	6.3
169.10164	17.7
170.10956	4.1
171.11699	24.6
172.12155	5.3
173.09662	12.6
173.13252	9.6
174.09088	17.7
175.07489	3.8
176.10728	8.8
178.08699	5.1
179.08607	4.0
181.10100	8.5
183.08070	3.7
183.11737	39.9
185.09543	5.8
185.13307	10.3
187.11171	11.7
188.07080	11.8
188.10649	5.4
190.08662	5.1
191.08595	3.9
193.10211	7.2
195.11646	5.0
197.09630	9.9
199.11150	8.2
200.10757	4.5
201.12772	8.9
205.10187	3.5
206.10965	7.3
207.11812	7.5
209.09663	6.9
209.13297	6.3
211.11171	14.3
212.10799	10.8
213.12727	3.6
214.12317	7.3
215.10767	4.2
217.10207	8.7
218.10979	4.9
219.11769	7.9
220.12466	5.9
221.13329	14.9
223.11314	5.4
229.12257	8.3
230.11102	4.3
231.11771	5.7
231.13872	8.4
232.12541	9.7
233.13304	9.8
233.15390	6.6
234.13948	4.5
235.14824	7.8
242.12271	2.9
243.11644	5.5
243.13864	9.0
246.13933	7.5
247.11206	6.0
247.14944	19.9
248.15639	6.3
248.45309	2.8
249.12721	7.2
249.16373	5.3
257.13257	6.0
258.14175	7.9
259.11008	5.3
259.14899	5.4
260.11804	6.2
261.12582	5.5
261.14807	6.1
261.17014	4.6
263.14291	3.7
265.16046	3.6
270.14038	4.1
272.11606	3.2
272.15588	6.1
275.14420	6.0
288.14041	5.0
289.15894	7.5
294.15140	3.7
304.17126	4.8
314.15363	4.6
324.13638	3.4
328.17163	5.4
330.18567	24.1
332.16544	4.0
332.20258	5.6
340.17108	4.2
344.20197	21.2
348.19794	5.5
354.18414	10.8
358.18213	8.6
362.21265	5.3
372.19638	44.1
374.21283	7.6
376.19049	4.0
382.18118	4.5
390.20859	18.8
400.19125	17.8
404.22491	14.9
414.20587	3.5
418.20200	18.7
424.20914	4.1
432.21619	11.3
436.21194	12.7
440.24261	4.8
449.21838	4.5
450.22711	14.1
454.07275	3.6
468.23907	12.7
507.46030	3.2
518.25928	5.0
568.28082	3.7
596.28290	10.7
610.29144	4.9
628.30688	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	627.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.3
53.39474	2.9
55.05509	43.5
57.03445	5.5
59.21511	3.1
65.03931	7.4
67.05505	98.8
69.07068	36.0
71.04965	5.3
79.05064	5.8
79.05492	76.8
81.07058	100.0
83.04985	8.0
83.08612	22.6
91.04971	6.2
91.05484	81.3
93.06482	4.9
93.07047	81.2
95.04958	7.8
95.08603	71.8
97.06544	8.1
97.10145	7.7
99.08113	4.6
103.05462	4.2
103.46670	3.4
105.07035	62.5
107.04963	4.2
107.08601	39.4
109.06511	6.4
109.10150	23.5
111.08113	4.2
115.05473	6.1
117.07030	31.1
119.08578	41.1
121.10153	40.6
123.11710	3.4
128.06235	10.3
129.07007	14.2
130.07816	3.7
131.08572	48.8
131.29324	3.3
133.10135	34.1
135.08061	4.9
135.11676	20.5
143.08565	26.2
145.10130	39.0
147.11705	21.8
149.09682	4.8
149.13351	4.6
155.08522	4.8
157.10132	10.9
159.11703	18.4
161.13274	7.6
163.11189	5.4
169.10168	9.0
171.11664	10.0
173.13284	5.5
183.11679	7.3
185.13289	4.9
195.11716	9.0
197.13179	4.3
255.17247	5.2
257.19223	6.5
259.20535	4.8
261.22009	5.3
265.66919	3.6
273.18600	19.8
275.20038	23.5
279.23221	7.9
331.22763	3.5
333.24106	5.0
335.25696	16.2
337.27484	20.4
347.22211	5.3
349.23633	5.1
609.45044	28.3
627.46216	77.3
627.56561	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	627.462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.9
51.61154	0.6
53.03942	6.8
55.01871	3.1
55.05513	23.8
57.03441	7.3
57.07075	1.8
58.41055	0.6
59.05010	1.0
65.03954	7.0
67.05508	100.0
68.00765	0.9
68.05831	0.7
69.04548	0.8
69.07073	19.6
69.07455	1.2
69.82536	0.8
71.05004	5.8
71.20299	1.2
77.03926	2.4
79.05495	84.0
81.03423	1.3
81.07059	93.7
83.04990	4.2
83.08623	14.6
85.06542	4.9
91.05486	88.5
93.07047	83.3
95.04980	6.7
95.08610	58.2
97.06541	7.4
97.10195	5.6
99.08104	2.7
103.05459	1.4
105.04546	3.6
105.07034	52.7
105.76460	0.8
107.04971	2.4
107.08594	41.8
109.06556	2.9
109.10155	17.8
111.08084	6.5
113.09695	1.0
115.05486	3.3
117.07022	30.8
117.07854	1.8
119.08588	41.7
121.06515	1.5
121.10147	72.0
123.08035	3.8
123.11711	3.9
125.09664	2.4
128.06239	2.2
129.07025	10.6
130.07776	1.5
131.08572	40.6
133.10138	36.9
135.08095	2.8
135.11694	35.1
137.09625	3.3
137.13248	1.5
139.11209	1.0
141.06985	3.9
142.07828	2.1
143.08568	12.4
144.09320	1.0
145.10123	28.4
147.10510	1.2
147.11687	25.2
149.09666	3.3
149.13254	10.6
151.11211	2.5
153.09172	0.9
155.08604	3.3
157.10115	11.5
157.11305	1.0
159.11700	19.4
161.13248	11.7
161.14423	0.9
163.11206	2.5
163.14854	2.2
165.12746	1.9
166.19037	1.0
167.08580	1.1
167.38008	0.7
169.10121	5.3
171.11674	14.1
173.09921	0.8
173.13255	11.6
175.11256	1.0
175.14871	3.4
177.12758	5.8
179.14383	1.4
181.10173	2.9
181.12248	1.8
183.11681	4.6
185.13280	7.7
187.14877	3.3
189.12827	1.0
189.16478	1.2
191.14249	1.0
193.15936	1.0
195.11719	2.6
195.13795	1.5
197.13310	4.1
199.14848	5.7
201.16420	1.0
203.32518	0.9
209.13289	1.5
209.15292	1.1
211.14874	2.4
213.16460	3.1
215.18056	1.0
221.13341	0.8
223.14906	1.0
225.16464	1.6
235.17015	1.2
239.17966	3.1
241.19576	6.3
243.21121	1.4
257.19034	8.8
259.20572	32.5
261.22244	3.7
271.20532	1.3
273.18555	1.3
275.20032	9.3
277.21661	15.5
285.22275	0.8
289.21671	1.8
297.22208	1.1
309.22052	0.9
311.23877	0.9
312.59045	0.8
315.23172	5.4
317.25018	1.0
331.22598	4.3
333.24231	34.2
335.25821	18.8
337.27255	1.1
349.23782	7.5
351.25299	25.1
497.50757	0.9
499.38892	1.6
513.35669	1.7
515.37329	1.3
517.40314	3.1
527.37531	1.5
529.38971	2.4
535.41803	5.4
553.42548	1.3
591.44250	3.9
609.45142	39.6
627.46173	46.3
628.46405	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.0
51.02387	0.7
53.03942	5.0
55.01865	4.3
55.05510	20.9
57.03442	4.1
57.07064	1.5
61.13955	0.7
65.03947	4.9
67.05504	100.0
68.05879	0.6
69.03417	0.8
69.07068	19.9
70.14048	2.5
71.04995	3.6
73.01296	0.6
77.03918	2.2
79.05492	81.3
81.03439	1.0
81.07056	94.6
83.04990	4.3
83.08614	13.8
85.06553	3.8
91.05480	72.2
93.07042	89.6
94.11276	0.5
95.04974	5.7
95.08604	54.2
97.06532	7.0
97.10180	5.2
99.08097	2.0
103.05477	1.8
105.04523	3.0
105.07030	37.9
107.04945	1.1
107.08593	37.0
109.06506	3.2
109.10155	19.5
111.08082	4.9
111.11707	0.7
113.09645	1.1
115.05463	1.9
117.07014	18.8
119.08585	29.4
119.50215	0.6
121.06515	1.6
121.10143	79.0
123.08071	2.7
123.11709	4.5
125.09631	4.5
128.06252	1.5
129.06982	5.8
130.07840	1.1
131.08571	24.6
133.06483	0.9
133.10126	29.2
135.08083	3.2
135.11694	37.5
137.09630	4.0
137.13243	1.0
139.11215	1.4
141.06981	1.3
143.08578	6.0
145.10117	19.5
147.08034	0.8
147.11688	21.5
149.09633	4.4
149.13249	12.1
151.11203	2.0
153.09056	0.8
155.08586	2.3
157.10150	5.8
159.11697	14.7
161.09660	0.7
161.13249	10.9
163.11153	3.8
163.14868	1.7
165.12729	1.7
167.10762	0.8
169.10149	1.7
171.11674	7.5
173.13237	7.4
175.11182	1.0
175.14853	3.5
177.12738	5.8
179.14340	2.4
181.10161	0.7
181.12268	1.8
183.11736	2.1
185.13237	5.1
187.14871	1.3
189.11203	1.8
189.16487	0.7
191.14305	1.2
193.16020	0.9
195.12019	0.9
195.13831	3.5
197.13292	1.3
199.14828	2.1
209.13364	1.1
211.14890	0.8
213.16466	2.0
215.17966	0.7
221.15605	0.7
227.12816	1.8
235.17003	1.4
239.17973	1.8
241.19551	5.6
243.21187	0.9
257.19016	4.7
259.20569	27.7
261.22073	3.7
273.18643	0.7
275.20041	10.2
277.21628	24.2
293.21164	0.9
297.22067	1.0
315.23203	6.0
331.22662	1.9
333.24225	27.6
334.24799	0.6
335.25821	10.0
349.23746	8.9
351.25287	16.4
455.08624	0.6
511.38477	0.7
513.35242	0.8
517.40485	1.2
527.37769	1.1
529.38818	4.0
531.37549	0.8
535.41370	1.3
553.43213	0.6
559.88647	0.7
571.93835	0.6
591.44135	1.6
609.45068	26.9
627.46161	65.7
628.46503	1.7
658.15240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27189	1.9
55.01875	21.3
55.05503	6.2
67.05502	5.7
69.03426	5.3
71.04990	5.1
74.38824	2.0
79.05485	10.3
81.03411	10.3
81.07036	5.6
83.04978	6.7
91.05483	35.6
93.07046	8.9
95.04954	10.5
95.08555	2.6
98.21571	3.0
102.78623	2.2
103.05454	4.0
105.03398	5.4
105.07030	25.6
107.04951	8.3
107.08599	7.7
109.06525	5.5
115.05466	16.7
116.06235	5.4
117.07023	26.1
119.04937	2.5
119.08588	34.1
121.06499	8.2
121.10127	3.9
128.06233	10.9
129.07021	27.4
130.07779	4.2
131.04921	4.4
131.08578	25.5
132.05678	2.8
133.06508	4.6
133.10146	24.4
135.08093	4.7
141.06995	7.8
142.07803	11.6
143.08557	31.9
144.05736	2.8
145.06502	22.0
145.10133	18.8
146.07277	3.1
147.08049	100.0
149.09634	6.5
153.06931	2.3
155.06151	2.8
155.08575	11.3
156.09372	15.0
157.06523	2.2
157.10130	39.3
158.07288	3.0
159.06839	4.5
159.08064	56.4
159.11694	7.1
161.09618	60.7
163.07547	54.5
163.11182	6.4
165.07004	8.2
165.09172	2.3
167.08612	4.8
168.09384	3.2
169.10106	23.0
170.10916	8.9
171.08072	17.1
171.11691	60.1
173.05968	7.4
173.09616	27.7
173.13269	3.9
175.07553	36.0
175.11150	4.7
179.08539	2.4
180.09335	2.8
181.10107	9.1
182.07202	3.1
182.10919	3.6
183.08020	6.8
183.11713	35.4
184.08862	3.8
185.09656	21.7
185.13266	48.2
187.07532	2.9
187.11168	9.1
189.09032	4.1
191.10699	4.0
192.09381	2.3
193.10095	6.4
194.10934	3.2
195.11723	13.3
197.09642	13.8
197.13272	9.5
198.10432	8.4
199.07574	2.4
199.11195	31.2
201.09064	4.2
201.12805	4.0
203.08582	2.6
203.10773	2.8
205.12225	4.9
206.10960	2.9
207.11783	4.3
209.09595	4.9
209.13268	5.3
211.11206	9.8
213.09198	6.4
213.12747	49.2
215.10698	4.8
216.09311	3.4
217.10353	2.3
217.12270	8.7
218.10948	2.7
219.11768	3.8
220.08783	2.8
221.09727	2.8
221.13332	5.0
223.11179	8.6
225.12752	4.4
227.10670	3.7
229.10130	5.1
229.12271	4.5
229.61548	3.0
230.11046	2.4
231.13696	10.6
232.12451	3.7
233.09657	3.8
233.13420	4.6
234.10362	2.5
235.11157	4.8
237.12679	5.3
239.10722	6.9
241.10033	3.9
241.12253	10.9
242.10883	2.3
243.11627	6.3
243.13873	8.7
244.12434	5.1
245.13191	3.4
245.15361	40.9
247.11055	2.4
247.14925	4.8
249.12627	2.9
249.16481	2.9
251.14421	3.0
255.11552	3.1
255.13815	6.7
256.12357	3.4
257.13190	5.4
257.15472	2.8
258.10229	2.3
258.14160	4.9
259.10965	4.1
259.13019	10.9
260.11969	5.0
261.05142	2.7
261.12582	4.8
263.14258	4.3
267.11703	3.2
269.09506	2.5
269.13287	5.6
270.13809	3.1
271.11160	6.4
272.11929	3.3
273.12534	5.5
273.14880	27.2
274.13458	2.8
275.14307	7.9
277.15759	2.6
283.14749	7.3
284.12100	3.1
284.15393	3.7
285.12671	7.4
286.13516	6.7
287.14255	12.8
288.15118	4.0
289.15637	4.7
296.11746	2.4
297.12671	13.7
297.15997	2.7
298.13580	3.6
299.14310	6.6
300.15170	5.0
301.15741	10.7
303.14102	2.9
303.17386	3.5
311.14297	9.6
312.15100	7.7
313.15765	7.5
314.13025	3.6
314.16525	4.3
315.17410	9.6
317.15625	2.9
317.18982	8.8
325.12051	3.9
326.16638	5.1
327.13733	5.7
327.17413	21.6
328.14624	3.6
328.18201	5.8
329.15274	9.5
329.19125	6.2
331.20456	6.6
339.13638	5.6
341.19046	18.0
345.18625	11.5
354.16110	2.6
357.18500	13.4
359.20096	14.3
361.18033	6.5
369.18475	28.7
377.21194	4.9
387.19516	32.9
389.21060	12.2
391.22638	13.6
393.24628	2.7
401.21127	36.4
405.20590	6.1
419.22147	54.2
437.22989	8.2
447.21521	9.6
451.24890	2.7
461.23102	6.3
465.22772	3.1
479.24197	20.5
539.26324	13.4
595.28882	7.8
609.30530	14.3
627.31293	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	627.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.4
55.05267	4.3
55.05517	68.6
67.05503	5.5
68.42071	2.1
69.03433	5.6
69.07052	4.6
71.04962	4.7
71.39968	2.2
79.05487	10.8
81.07054	7.2
83.04987	100.0
91.05488	25.3
93.07043	12.0
95.04975	10.7
95.08609	3.2
97.06542	5.0
98.21618	4.0
99.04477	4.7
103.05478	3.9
105.07045	19.1
107.08599	9.6
109.06541	4.9
109.10155	4.0
111.08102	16.8
115.05459	18.9
116.06264	3.2
117.07024	48.8
119.04942	4.2
119.08587	26.8
121.06484	10.1
121.10155	9.1
123.08061	2.4
125.06058	2.8
128.06258	8.2
129.07022	17.8
130.07750	2.6
131.05020	2.2
131.08578	16.3
133.06540	11.4
133.10136	18.5
135.08043	7.2
137.09605	3.9
141.06995	6.2
142.07784	12.3
143.08565	20.5
145.06502	22.3
145.10107	14.7
147.08025	16.9
147.11667	3.8
149.08549	2.3
149.09653	9.4
153.07016	4.4
155.08578	13.0
156.09393	12.2
157.06487	5.4
157.10152	24.9
158.11053	2.9
158.44812	2.2
159.08052	23.6
159.11726	10.6
160.08551	2.7
161.06012	4.7
161.09633	14.6
163.07553	8.1
163.11191	2.8
165.07016	5.6
165.09138	4.6
166.07692	2.7
167.08582	7.6
168.09367	3.5
169.06506	2.9
169.10178	16.1
170.10918	10.9
171.08086	12.7
171.11694	48.4
172.08862	2.3
172.12238	3.2
173.06018	5.3
173.09637	15.9
173.13286	3.7
175.07582	10.6
175.11223	6.1
177.09123	46.0
179.08536	4.1
180.09348	4.2
181.08693	4.2
181.10167	7.1
182.10960	2.5
183.08107	6.6
183.11685	35.3
184.08800	4.2
185.09628	10.9
185.13287	40.2
187.07578	7.5
187.11183	11.8
189.09091	6.9
191.10701	4.5
193.08586	3.6
193.10164	8.4
194.11015	3.0
195.07974	3.2
195.11658	8.6
196.08905	4.6
197.09607	13.4
197.13266	6.2
198.10352	6.7
199.07655	3.5
199.11165	21.7
201.09120	3.8
201.12738	9.4
203.08745	3.9
203.10654	5.3
205.08604	9.6
205.10275	3.8
207.11731	6.4
209.09697	3.7
209.13271	6.4
211.11218	13.6
213.09123	5.3
213.12791	42.2
215.10751	6.8
217.08594	3.5
217.10387	3.1
217.12263	4.8
218.10916	3.9
219.11926	4.9
219.14012	3.3
220.12579	4.7
221.13313	4.5
222.99733	2.3
223.11201	3.8
223.14952	2.5
225.09128	3.7
227.10696	9.1
229.10219	4.3
229.12178	8.8
230.10884	4.7
231.11780	5.5
231.13754	6.5
232.12514	4.1
233.13350	6.3
235.11313	4.0
235.14827	5.0
237.12730	5.4
239.10649	3.0
241.10103	3.9
241.12259	8.2
242.10922	3.3
243.11699	4.8
243.13846	10.1
244.12436	4.4
245.13246	6.5
245.15353	17.5
247.11047	3.8
247.13168	5.0
249.12779	5.3
254.10716	2.8
255.11642	4.3
255.13950	4.5
256.12592	3.3
257.13431	6.4
258.10391	2.9
258.14056	4.4
259.13165	6.3
261.12634	3.2
267.11630	6.4
268.12595	2.8
269.13437	2.9
270.14185	5.3
271.15121	3.0
273.14822	18.1
275.14307	4.0
281.13321	5.8
282.14029	8.1
283.14804	7.2
284.12006	3.5
285.12869	6.3
285.16376	6.7
286.13321	3.1
287.14465	3.4
287.17889	5.5
289.14471	7.3
291.15948	7.2
296.15604	5.2
297.16071	5.2
298.13361	3.3
299.14261	6.7
299.17853	2.7
301.15753	5.5
301.19388	3.3
305.15494	2.6
309.12909	2.9
311.17889	8.0
313.15878	7.1
315.14001	4.3
315.17459	15.1
317.18793	3.6
319.16888	3.2
324.15051	2.6
325.15881	6.0
327.13751	3.2
327.17316	2.7
329.15466	3.1
329.19000	6.9
339.17209	7.8
341.15335	3.9
342.15973	4.0
343.16901	10.2
345.18378	3.1
347.20032	4.5
357.14719	3.9
357.18536	17.8
361.18011	5.6
367.17126	3.7
371.15912	3.2
371.20395	5.3
375.19534	13.2
385.18018	6.2
389.21091	13.6
399.19614	8.1
403.19012	7.1
405.20496	7.0
407.22217	4.4
417.20773	18.1
421.24173	5.9
431.22168	5.0
435.21432	14.0
439.24939	3.1
449.23196	19.7
467.24301	14.7
470.22229	3.0
477.22604	5.6
495.23489	9.3
509.25476	14.5
527.26648	16.2
577.28046	2.8
591.28918	3.3
591.66510	2.5
595.28876	7.5
599.30341	4.5
609.30560	63.1
627.22119	4.5
627.31732	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	627.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
54.17584	3.0
55.01886	19.6
55.05507	3.3
57.06827	4.5
57.07080	57.5
65.82297	3.6
69.03423	4.3
69.07064	4.4
69.33131	10.8
69.33553	15.2
79.05487	11.1
81.03403	9.9
85.06550	5.9
91.05488	37.4
93.07043	8.6
95.04964	12.1
95.08598	6.7
98.20820	7.7
103.05474	5.4
105.07032	24.0
107.04930	10.2
107.08574	10.7
109.06552	5.9
115.05446	15.4
116.06248	4.7
117.07029	26.9
117.46880	3.1
117.49051	2.9
119.08585	39.3
121.06496	5.2
121.10147	9.1
128.06215	11.9
129.07014	23.1
130.07770	5.6
130.81277	3.1
131.08583	29.2
132.05725	3.4
133.06436	5.6
133.10123	21.9
135.08076	6.8
141.06935	4.1
142.07800	13.6
143.08580	31.8
145.06485	28.7
145.10133	24.9
147.06944	5.1
147.08057	100.0
149.09612	9.0
155.08551	14.3
156.09360	24.7
157.10144	38.8
159.08041	55.1
159.11731	10.9
161.09645	48.1
163.07555	37.2
165.07007	3.9
167.08640	7.5
168.09323	4.1
169.10109	17.5
170.10858	8.0
171.08049	14.5
171.11693	74.1
173.06003	8.6
173.09633	28.8
173.13144	4.7
175.07552	36.3
175.11264	5.3
179.08551	6.8
181.10147	8.8
183.08051	7.3
183.11716	34.6
184.08865	7.1
185.09633	24.5
185.13239	34.4
187.07477	4.5
187.11272	7.2
189.09143	6.0
191.10654	8.6
192.09319	4.3
193.10062	7.6
194.10732	3.1
195.11711	9.5
197.09607	14.4
197.13271	7.7
198.10387	3.5
199.11147	26.7
200.11954	8.6
201.09154	12.8
203.10635	6.1
206.10902	4.3
207.11639	9.8
209.09560	3.8
209.13187	3.2
211.11096	7.4
213.09103	7.4
213.12706	31.3
215.10616	5.7
215.14339	3.4
217.08522	9.2
217.12177	7.9
219.11818	4.5
220.12605	3.1
221.13257	6.2
223.11148	7.8
223.14977	3.8
227.10666	7.3
229.10226	5.4
229.12108	15.6
231.11716	5.9
231.13794	42.8
233.13365	5.9
235.14857	4.0
237.12801	5.8
239.10469	4.0
241.12201	14.4
242.10928	3.9
243.02901	3.4
244.12587	5.9
245.11713	12.4
247.11073	3.1
248.11876	3.7
249.12823	3.7
256.12280	4.9
257.13361	5.3
259.10959	5.6
259.13168	35.3
261.12720	7.6
263.14481	3.6
265.12427	3.8
268.12674	3.9
269.13321	5.4
271.11279	5.4
271.14725	7.2
273.12564	4.9
275.14111	4.5
279.13788	3.8
285.12839	6.1
285.16000	3.9
287.14264	9.0
291.13519	3.4
297.12723	9.1
299.14316	7.2
300.14951	5.0
301.15765	10.4
303.17426	3.9
311.14401	4.5
312.15057	6.7
313.15881	13.5
314.16681	3.6
315.17358	3.5
317.18961	8.6
326.16458	3.2
327.17386	13.8
328.17996	6.3
329.15344	7.8
337.18231	3.4
339.13373	3.5
341.18961	9.6
344.17719	3.2
345.18411	13.1
347.16385	6.5
357.18384	10.3
359.20038	16.5
369.18451	12.8
375.19611	15.8
377.21127	31.1
387.19559	74.7
397.20255	4.0
405.15735	5.8
405.20605	67.3
423.21649	12.8
434.68723	3.5
447.21680	12.0
465.22702	30.1
525.24756	13.7
609.30402	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.8
55.05513	71.1
60.13166	2.6
67.05515	5.9
69.03430	8.0
69.07071	4.8
69.19574	10.0
69.20003	16.3
71.04999	3.1
79.05496	9.9
81.03410	4.4
81.07046	9.6
81.61573	3.1
83.04984	100.0
87.24574	2.4
91.05479	26.0
93.07053	6.2
95.04972	10.8
95.08602	5.6
97.06556	5.1
103.05444	6.2
105.07038	25.9
107.04963	5.5
107.08592	8.4
109.06500	6.1
109.10100	4.7
111.04432	7.8
115.05489	17.9
117.07016	34.0
119.04961	5.5
119.08584	32.8
120.08978	2.9
121.06474	7.4
121.10161	5.3
125.05994	3.4
128.06230	8.9
129.07024	12.0
131.04951	10.4
131.08578	18.2
133.06503	10.8
133.10138	16.9
135.08032	8.2
137.05992	5.0
137.09633	3.7
141.06996	8.3
142.07799	8.7
143.08542	18.6
145.06491	32.4
145.10115	19.0
147.08047	21.5
147.11687	3.2
149.09639	9.8
153.06972	4.8
155.08588	10.5
156.09404	13.4
157.06464	5.9
157.10135	35.3
159.08061	20.2
159.11673	7.9
161.05989	7.7
161.09616	15.8
162.06703	3.7
163.07538	8.5
163.11188	3.0
165.07022	6.6
165.09120	11.3
167.08549	4.7
168.09418	3.0
169.10155	16.6
170.10866	13.9
171.08078	12.9
171.11713	45.5
172.08856	3.5
173.06010	13.6
173.09589	18.4
175.07552	13.6
175.11145	4.7
177.09117	46.2
179.08511	4.8
179.10730	5.8
180.09326	4.4
181.08592	6.0
181.10033	6.7
183.08142	7.9
183.11668	30.6
185.09660	12.4
185.13246	39.7
187.07475	6.0
187.11189	8.6
189.05539	3.7
189.09152	10.4
191.10660	12.2
193.08582	4.7
193.10138	5.7
195.08008	2.7
195.11705	11.2
197.09676	9.1
197.13297	9.8
198.10400	4.5
199.11206	21.2
201.09132	3.6
201.12817	9.8
203.10641	6.5
203.14375	3.1
203.51730	2.7
204.09399	3.2
205.08653	11.5
206.10968	3.9
207.11717	9.7
209.13234	3.3
211.07645	5.3
211.11224	10.3
213.09203	4.5
213.12747	51.5
215.10626	7.7
217.10249	4.8
217.12276	5.8
218.11131	4.8
219.11823	5.2
221.09677	3.5
221.13251	4.7
222.14006	3.3
223.11177	7.0
227.10646	5.2
229.10251	4.0
229.12314	8.0
230.10948	3.4
231.10173	7.5
231.13841	6.8
233.13364	5.4
235.11104	6.8
237.12595	3.5
239.10802	3.6
241.12320	6.6
243.11732	3.8
243.13863	13.1
244.12550	3.4
245.11655	5.4
245.15411	17.8
246.14096	4.4
247.13223	5.2
249.12956	3.7
251.10689	3.0
253.12221	4.5
255.11674	3.2
256.12518	6.2
257.13370	5.9
258.14105	3.8
259.15234	3.6
260.11847	3.2
263.10550	3.3
267.11584	3.2
268.12457	3.8
269.13138	3.9
271.14841	4.1
272.11975	3.3
273.12369	4.2
273.14984	10.4
275.14218	7.4
281.13068	3.5
285.12683	7.5
285.16013	3.6
288.15063	3.8
289.14511	9.4
291.16116	9.8
297.12900	4.3
297.16223	3.3
298.13565	4.1
299.14407	6.2
299.17471	3.7
300.15033	5.2
301.15799	3.8
311.17780	3.4
313.15875	8.6
314.16052	3.4
315.17505	8.3
324.15271	3.6
325.15802	3.5
327.13861	5.0
327.17340	6.1
329.15298	6.2
329.18961	8.8
331.16736	4.8
333.18335	4.7
339.17526	3.4
343.17017	9.7
347.20032	6.9
351.27158	3.0
357.18475	11.5
359.16284	3.5
361.17743	5.5
375.19543	7.3
385.17902	5.9
389.21182	7.7
403.19101	14.0
405.20639	5.5
407.22348	4.0
417.20895	16.9
421.24158	4.4
431.22354	4.8
435.22122	19.2
449.23923	15.1
467.24356	15.1
477.22449	3.9
495.23807	21.4
509.25275	10.1
527.26917	22.9
595.28668	17.1
609.30621	37.0
627.31653	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	627.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.0
55.01873	16.4
55.05513	32.9
65.03948	3.3
67.05496	3.5
69.03438	5.4
69.07054	5.5
71.04990	5.1
79.05484	12.0
79.56949	3.1
81.03431	17.6
81.07061	6.6
83.04981	57.5
84.53127	3.1
91.05484	35.9
93.07051	15.5
95.04963	11.4
95.08586	5.7
103.05488	5.9
105.07027	29.7
107.04956	9.0
107.08578	11.2
109.06507	9.9
115.05437	12.7
117.07033	26.6
119.05006	4.2
119.08592	36.8
121.06540	6.8
121.10159	4.5
128.06247	9.6
129.07013	30.2
131.04942	6.3
131.08592	27.8
133.06558	4.4
133.10126	20.2
135.08070	10.9
141.07008	5.4
142.07747	9.2
143.08562	28.6
145.06479	20.4
145.10107	19.4
147.08060	100.0
149.09596	7.1
155.08562	10.0
156.09348	18.3
157.10147	37.5
158.07181	3.9
159.08064	33.9
159.11653	7.9
161.09625	56.6
163.07539	80.9
163.11188	5.0
165.06973	6.7
165.09067	4.1
166.07800	4.1
167.08626	4.8
168.09337	4.0
169.10127	13.8
170.10892	10.3
171.08026	13.4
171.11684	51.5
173.06017	10.4
173.09653	26.6
173.13316	8.5
175.07545	27.0
175.11282	5.4
180.09354	4.5
181.10120	12.9
183.07881	3.5
183.11723	21.7
185.09589	16.9
185.13286	24.6
187.07668	4.9
187.11192	14.0
187.14850	4.9
189.12787	3.6
194.10870	4.4
195.08011	3.5
195.11734	13.4
197.09541	9.7
197.13309	15.0
199.11186	23.5
200.11914	5.5
201.12741	8.7
207.11714	11.8
209.13292	9.5
211.11249	13.4
213.09056	4.7
213.12804	35.8
215.10692	5.9
215.14363	12.1
217.12354	5.3
221.09685	6.3
221.13336	9.4
223.11118	6.3
225.12698	8.7
229.12282	15.7
230.10814	6.8
231.11777	6.0
231.13786	4.5
233.13443	5.3
235.11220	4.2
235.14795	5.1
236.12071	4.9
237.12746	9.1
239.14273	4.8
241.12277	6.8
243.11612	3.9
243.13861	11.0
245.13254	5.8
245.15378	15.3
249.12447	6.6
249.16367	5.1
251.14342	5.2
255.14043	4.9
257.13235	4.6
259.11011	5.1
259.13165	4.4
259.15219	4.4
261.12650	5.0
265.15845	4.7
271.14929	5.5
273.12451	8.0
273.14972	14.0
275.14288	8.0
277.12247	3.6
283.11179	4.6
284.15421	5.0
286.13593	4.0
287.14380	9.5
295.17288	4.0
296.16135	3.9
297.12772	7.5
299.14212	5.8
301.12384	3.7
301.15698	8.3
311.14178	6.7
312.14877	4.1
313.12540	4.1
313.15894	11.5
314.13040	3.5
315.17435	5.7
317.18994	6.3
327.17416	13.9
328.18228	5.0
329.15158	5.8
329.18863	7.0
341.15240	4.7
341.19016	7.6
343.20657	7.6
345.18430	16.2
347.19821	6.1
353.18909	5.2
357.18350	5.1
359.20004	15.7
361.21719	9.2
369.18463	9.7
371.20102	32.0
387.19550	14.8
389.21146	39.4
401.21011	14.3
407.22180	10.2
419.22208	25.2
431.22147	13.9
447.22116	5.6
449.23288	12.1
479.24301	5.1
595.28644	4.1
609.30518	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	627.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.01862	11.1
55.05511	44.6
58.23926	2.7
61.46658	3.0
63.32962	2.5
67.05509	5.4
69.03419	3.9
69.07069	3.9
69.22843	26.1
79.05478	10.8
81.03415	11.2
81.07049	6.8
83.04988	70.3
84.25490	2.9
89.73698	2.6
91.05492	22.3
93.07058	14.0
95.01311	4.4
95.04956	10.4
95.08613	3.9
98.21545	6.3
100.88904	2.4
103.05450	3.1
105.03426	4.3
105.07037	20.0
107.04944	6.8
107.08594	11.4
109.06515	8.4
109.10146	3.3
112.76550	2.6
115.05460	9.3
117.07022	18.9
119.08591	26.4
121.06506	6.6
121.10117	4.3
128.06203	5.6
129.06992	13.1
131.04884	3.4
131.08551	13.5
133.06514	6.5
133.10114	14.8
135.08075	19.1
141.06984	3.3
142.07779	6.2
143.08585	14.3
145.06454	7.6
145.10162	14.0
147.08054	66.8
147.11703	3.3
149.09598	4.3
154.07805	3.2
155.08572	9.4
156.09348	10.8
157.10129	22.2
158.10921	3.2
159.08101	13.4
159.11659	11.7
161.05898	3.3
161.09595	20.1
163.07553	100.0
165.07103	4.5
165.14967	2.7
167.08568	6.1
168.09331	4.2
169.10118	9.7
170.10883	4.5
171.08078	4.9
171.11684	34.4
172.24347	2.6
173.06108	2.7
173.09663	13.3
173.13274	12.5
175.07558	13.3
175.11122	5.3
177.09178	2.8
179.08556	4.4
180.09212	2.5
181.10181	5.7
182.10936	5.6
183.08014	3.0
183.11700	12.0
185.09627	11.0
185.13271	10.1
187.11205	6.6
187.14859	6.4
189.09033	3.2
189.12744	2.8
193.10147	5.3
195.08066	2.8
195.11710	9.3
197.09567	8.0
197.13341	15.9
199.11140	12.5
199.14838	4.3
200.11678	4.3
201.09039	3.7
201.12642	6.5
203.10696	4.5
203.86447	2.9
207.11664	5.9
209.09644	5.2
209.13234	6.6
210.10454	3.0
211.11288	6.7
213.12788	12.2
215.10612	3.0
215.14323	21.8
220.12473	3.6
221.13379	4.0
223.14764	3.4
225.12746	9.4
227.14229	5.5
229.12305	9.2
233.13275	3.9
235.11082	5.1
235.14883	4.5
243.13788	8.7
244.12396	3.0
245.15416	3.8
247.11240	3.3
249.12642	3.2
253.16148	2.8
275.14276	3.2
277.15985	3.2
305.15604	2.7
313.15527	4.9
327.17294	2.9
329.19031	4.0
333.22433	3.5
341.18887	3.7
343.20590	7.4
345.18555	9.7
347.20093	4.4
353.18875	4.7
359.20145	6.6
361.21661	9.3
369.18759	3.5
371.20065	20.6
379.22409	4.5
387.19424	4.5
389.21121	35.5
405.20798	3.5
407.22223	13.3
431.22202	6.4
449.23279	12.8
467.24197	6.9
509.25458	4.1
524.45703	3.6
627.27991	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	627.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.01627	1.5
55.01876	18.1
55.05268	1.6
55.05517	25.9
57.03433	1.5
60.48524	1.2
67.05492	3.5
69.03439	6.5
69.07065	4.1
79.05497	12.1
81.03425	10.4
81.07053	3.5
83.04987	35.4
91.05489	24.4
93.07056	9.2
95.04964	12.2
95.08621	5.2
97.06506	1.6
99.51076	1.3
100.15478	1.5
103.05451	3.3
105.07041	16.3
107.04955	7.2
107.08594	6.3
109.06521	4.8
115.05470	6.4
116.06273	1.7
117.07028	14.6
119.04972	1.3
119.07797	2.3
119.08594	33.5
121.06516	4.6
121.10152	4.2
122.04757	1.2
128.06238	7.1
129.07022	19.5
130.07777	3.7
131.08582	13.0
131.51616	1.4
133.06483	4.1
133.10150	14.6
135.08054	6.2
136.60741	1.4
141.06966	4.9
142.07779	7.2
143.08563	14.0
144.05698	2.0
144.09351	1.5
145.06462	8.5
145.10120	15.8
145.47630	1.5
146.07336	2.0
147.08061	100.0
147.11705	4.0
149.09602	4.3
153.06996	2.5
154.07837	2.6
155.08571	7.6
156.09370	7.3
157.10129	17.6
158.07286	2.6
159.08083	14.3
159.11694	7.1
161.09634	38.2
163.07588	9.0
165.06995	4.3
165.09119	4.6
166.07770	2.1
167.08546	5.7
168.09392	1.6
169.06526	2.5
169.10086	11.7
170.10887	4.1
171.08066	6.2
171.11717	18.3
173.06007	1.9
173.09631	16.8
173.13252	6.2
175.07515	4.2
175.11174	4.8
179.08592	5.3
181.10109	6.8
182.07411	1.5
182.10924	4.0
183.08084	3.1
183.11703	15.3
185.09647	10.3
185.13219	8.0
187.07501	3.2
187.11198	9.1
187.14828	2.3
189.09111	3.5
191.08519	1.7
192.09473	1.7
193.10136	6.0
194.10951	2.2
195.07973	2.1
195.11707	7.6
196.08942	2.6
197.09642	4.5
197.13274	10.5
198.10370	2.9
199.11209	12.0
200.11987	3.5
201.09167	3.6
201.12769	6.3
203.10664	3.9
205.10188	3.0
206.10837	3.0
207.10071	2.0
207.11736	8.2
208.12439	2.1
209.09717	2.0
209.13272	6.9
210.10440	2.2
211.11194	10.6
211.14629	2.4
213.09166	1.6
213.12758	9.8
215.10722	3.8
215.14310	8.0
217.12215	2.3
219.11734	3.3
220.12430	3.5
221.09647	2.0
221.13300	5.2
222.13850	1.7
223.11237	4.3
223.14636	2.8
225.12801	9.6
227.10614	2.2
227.14294	2.1
229.10150	2.9
229.12219	18.3
230.10934	1.8
231.11713	3.5
231.13811	4.1
232.12422	2.2
233.09636	2.4
233.13396	2.4
234.13995	2.6
235.11147	2.8
235.14803	4.9
236.11787	2.2
237.12804	2.8
237.16418	1.6
239.14362	2.8
241.12283	3.7
243.11650	2.8
243.13844	17.3
244.12563	2.3
245.13361	3.2
247.11182	3.3
247.14963	2.2
249.12753	2.2
249.16331	3.4
250.13445	1.6
251.14444	2.5
255.11655	2.5
256.12454	2.0
257.13303	1.8
258.14102	2.5
259.10956	1.7
259.13287	3.1
261.12610	2.3
261.16595	1.5
262.13599	1.7
263.14346	2.4
265.12677	1.5
265.15875	2.5
267.11639	1.4
267.17175	2.0
268.12625	2.3
269.13266	3.2
270.14017	2.0
271.11203	1.6
271.14716	1.4
273.12619	2.9
275.14325	2.6
275.18057	1.5
277.15698	1.7
279.13934	1.7
283.11136	3.1
283.14722	1.5
284.11923	2.8
285.16412	2.0
286.13712	1.5
287.14124	3.2
289.15869	3.1
295.14615	1.8
296.11707	2.5
297.12732	3.8
298.13525	3.5
299.14178	2.2
301.12366	2.0
301.15732	2.5
303.17264	4.1
309.12607	2.0
311.14386	3.1
313.15900	9.5
315.13904	1.8
315.17496	2.2
317.19034	4.1
323.14267	4.2
324.15109	2.0
327.17444	3.4
328.18137	2.7
329.15442	2.6
329.19019	6.6
331.16937	3.8
331.20596	2.2
333.21982	2.0
341.15298	1.8
341.18863	4.0
343.20599	11.9
345.18539	5.6
347.19913	4.3
353.18903	7.5
359.19931	3.2
361.21561	13.5
363.18149	1.9
371.20010	24.0
377.21042	2.0
379.22516	1.8
381.20581	4.7
389.21118	40.5
407.22260	13.1
421.23837	2.0
431.22299	8.5
449.23157	20.1
467.24310	12.5
509.25110	6.4
538.48352	1.4
549.28339	1.5
616.54187	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2814
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.01877	0.8
55.05505	1.1
67.05495	2.1
69.03445	0.5
69.07066	0.8
70.02926	0.7
71.55486	0.8
72.34786	0.5
79.05493	1.9
79.54107	0.6
81.03422	1.4
81.07067	1.9
83.04996	1.1
83.08649	0.9
85.09617	0.5
86.57834	0.6
91.05492	1.9
91.76119	0.6
93.07042	1.1
95.04982	1.2
95.08626	1.1
105.07037	2.2
107.08598	1.3
115.05403	0.5
117.07024	1.4
119.08585	2.1
120.08115	0.5
121.10136	0.7
128.06258	0.8
129.07082	1.2
131.04929	1.0
131.08589	1.0
133.10152	1.1
135.08170	0.7
136.07593	0.9
139.07591	0.5
143.08545	1.3
145.10109	1.3
146.09682	0.9
147.08058	2.2
157.10156	1.4
159.08066	1.3
161.09641	0.7
163.07661	1.1
171.11734	1.2
173.09645	0.8
174.09154	3.4
183.11771	0.9
184.21837	0.6
185.09636	0.7
185.13312	1.0
187.08844	0.7
187.12305	3.5
188.10745	1.3
197.11017	0.7
199.08641	1.0
200.09451	1.1
211.08708	1.1
213.12825	1.3
215.11859	1.9
225.10321	1.9
227.11763	2.5
231.11836	0.8
235.08588	1.0
237.10236	1.2
239.11887	2.2
241.09734	0.8
241.13470	1.8
243.11331	17.2
245.15453	1.0
249.10313	1.7
251.11829	1.7
252.08984	1.2
253.09729	1.8
253.13519	0.7
265.09677	0.9
267.11417	5.0
269.13043	2.0
273.14868	0.7
277.09680	1.3
285.12372	2.5
291.10962	1.0
295.10867	2.1
298.13373	0.9
299.14212	1.8
301.15701	2.9
309.12439	1.9
311.14108	1.0
312.11673	0.6
313.12158	0.7
314.13141	1.4
315.13754	0.9
316.10870	0.7
325.15506	6.2
326.12994	0.8
327.13477	4.8
328.10986	1.0
328.14520	1.6
329.11783	1.4
329.15463	1.4
330.12469	2.0
331.13138	0.8
334.15454	1.3
342.12341	2.8
343.13144	2.6
344.13947	2.4
344.17712	0.8
345.14673	1.1
345.18567	0.7
346.15637	1.4
348.13498	2.1
351.13541	1.6
354.12360	0.9
354.16263	0.6
356.13901	3.1
357.14780	1.1
358.15512	2.6
370.15515	2.2
371.16516	0.8
372.17258	2.7
373.17816	0.6
374.14963	1.0
384.17194	1.4
386.15009	2.0
386.18787	2.1
398.15149	0.9
399.15970	0.7
400.16510	2.6
401.21201	0.9
402.14087	0.6
412.16568	1.0
414.18283	0.7
417.16956	0.9
418.17487	1.3
419.22791	1.2
420.17029	1.0
429.17419	0.8
431.18549	1.6
432.19418	2.8
433.20645	0.6
434.18222	0.8
435.14050	1.0
437.19815	1.6
445.20181	0.7
446.15216	0.6
447.22342	1.2
449.15222	0.7
449.20499	1.4
450.16830	1.1
451.17776	1.6
461.23575	0.9
462.23889	2.3
463.21124	2.0
464.18146	1.0
465.18881	9.0
475.21518	0.7
476.20538	0.8
477.18973	1.0
478.19809	0.7
479.20279	4.8
480.21500	3.5
481.22543	2.5
489.23022	1.1
490.20993	1.1
491.20578	1.0
492.21686	2.4
493.23227	3.2
500.51944	0.5
504.21295	2.6
505.22644	0.6
506.23505	0.7
507.24152	4.1
508.21060	1.1
517.22620	2.1
518.21545	0.6
520.20795	0.8
521.25116	1.0
535.23389	4.4
537.21765	0.6
541.23981	0.8
549.25104	8.4
552.23468	1.2
553.24182	0.9
554.24756	0.7
567.19739	2.3
567.26111	41.2
568.26575	1.1
577.24237	2.0
581.27838	0.9
595.25555	33.7
609.28351	0.9
627.28094	100.0
628.28381	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43142	0.9
53.03926	1.2
55.01872	1.6
55.05524	5.0
62.80490	1.0
67.05176	1.3
67.05511	17.6
69.07079	5.4
69.58997	7.1
79.05505	12.1
81.03438	2.2
81.07060	19.1
83.05022	1.7
83.08625	2.8
83.13946	0.9
85.06567	1.6
91.05489	13.7
93.07056	12.0
95.04962	2.4
95.08620	11.3
97.06541	2.1
97.10178	1.4
98.20780	1.9
105.07028	9.4
107.04979	1.6
107.08607	8.5
107.56242	1.0
109.06535	1.4
109.10180	4.6
111.08077	1.2
117.07036	3.8
119.08595	7.5
121.10153	7.4
123.11699	1.0
129.07031	1.3
131.08556	6.8
133.10126	5.4
135.08063	1.6
135.11714	3.4
143.08531	1.2
145.10159	4.0
147.11703	3.6
149.09625	1.1
149.13277	1.6
152.59132	0.9
157.10149	1.8
159.11716	1.7
161.13255	3.3
171.11676	2.5
173.13342	1.7
179.14352	1.4
219.17467	1.8
223.12433	1.3
237.13811	1.7
249.13873	1.1
251.15630	1.0
257.19092	1.4
259.20700	3.3
261.14236	1.1
275.20041	6.8
277.21716	1.8
318.16086	1.9
331.22687	1.1
333.24237	1.3
335.25809	5.1
338.16824	1.3
349.23782	1.7
350.16409	1.0
351.25266	1.5
352.17911	1.4
353.17819	3.3
365.17889	2.4
366.19226	1.4
367.15289	1.9
367.19440	3.7
368.20508	1.6
369.17142	1.5
378.18915	1.6
379.19437	2.3
381.16907	2.3
381.20914	3.3
382.21951	1.4
383.22357	2.0
395.18600	2.9
395.22913	1.6
396.19440	1.3
397.20288	3.2
409.20288	4.0
410.21313	1.6
411.22095	4.8
412.22830	3.3
421.20291	1.6
422.21237	2.4
423.22220	3.4
424.22208	3.3
425.19525	8.4
436.23083	1.2
437.24313	4.6
438.20566	3.9
439.21100	6.5
440.22293	5.2
452.22504	1.1
453.23114	2.0
454.24463	1.6
455.24734	1.2
467.24872	1.5
468.25165	1.7
469.26584	2.4
470.23148	3.0
480.23831	1.1
481.22577	3.4
482.23471	1.3
483.24390	2.0
495.23969	2.3
496.24643	1.8
497.25320	14.1
498.26367	3.8
509.25363	2.2
510.25656	1.8
511.23718	3.2
523.27869	1.1
525.25024	3.1
526.25610	2.9
529.38879	9.1
541.28168	11.2
551.26563	1.8
556.23053	1.4
583.29126	14.9
584.26440	12.8
585.27112	100.0
586.27710	1.7
593.62024	1.1
609.45074	6.0
626.66187	2.4
627.28186	78.0
627.44165	9.0
628.28949	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.05526	28.5
65.03951	4.5
67.05508	7.3
69.03432	32.9
78.22272	4.0
79.05502	15.9
81.07056	5.6
83.04975	47.0
91.05483	51.5
93.07047	13.1
95.04958	10.7
95.08603	6.2
103.05469	8.6
105.07030	36.5
107.08580	13.0
108.36780	4.2
108.57361	4.1
109.06503	6.5
115.05468	19.1
117.07008	49.0
118.07866	3.7
119.08589	66.8
121.06507	6.5
121.10147	9.4
123.08059	4.3
128.06245	13.6
129.06992	18.8
131.04901	4.6
131.08575	29.2
133.06487	16.5
133.10123	37.3
135.08023	12.8
141.06958	6.3
142.07779	13.4
143.08583	42.2
145.06549	21.7
145.10139	24.7
147.08061	21.3
149.09647	11.3
154.07721	6.5
155.08549	18.4
156.09381	26.4
157.06421	6.8
157.10146	45.7
158.07240	6.5
158.10823	4.0
159.08038	19.9
159.11700	14.1
161.05975	18.0
161.09605	11.5
163.07558	27.3
165.07039	9.2
166.07767	6.0
167.08618	12.3
169.10162	37.9
170.10927	14.3
171.08090	12.2
171.11687	76.4
172.12277	4.1
173.09642	19.7
173.13258	8.5
175.07538	8.9
175.11240	4.1
177.09096	24.2
179.08586	5.3
180.09326	5.9
181.10135	18.2
183.08107	10.1
183.11673	41.6
184.08815	10.0
184.12128	4.2
185.09695	19.7
185.13258	54.7
187.11223	9.0
189.05501	27.7
189.09132	14.4
191.07083	8.6
191.08589	4.6
191.10732	6.1
192.09326	5.4
193.10176	10.1
194.11052	6.0
195.07918	5.2
195.11682	24.7
197.09653	12.5
197.13252	15.3
198.10478	6.4
199.11183	100.0
199.12874	7.9
200.11954	7.7
201.09106	6.6
201.12735	10.5
203.06958	5.7
203.10782	4.5
204.09293	6.7
205.12198	5.1
206.10875	6.4
207.11714	12.9
208.12769	4.4
209.13228	6.0
211.11215	12.3
213.09279	9.5
213.12772	55.6
215.10648	8.9
217.10284	8.6
217.12158	8.8
218.10941	4.8
219.11836	9.4
221.13228	9.3
223.11244	9.0
223.14890	6.3
225.12764	6.0
227.10674	10.5
229.12224	11.8
230.10942	8.2
231.09877	5.6
231.11739	9.6
231.13654	28.6
232.12489	6.6
233.09642	7.6
233.13248	12.8
235.11229	7.2
235.14943	5.5
237.12749	6.5
239.10782	4.6
241.12250	23.0
243.11858	8.8
244.12517	6.1
245.13448	5.4
246.10284	6.4
247.15021	5.7
249.09000	4.3
255.11917	8.4
256.12335	7.3
257.13239	7.4
258.13968	6.0
259.13101	28.3
261.12741	6.1
263.14038	5.7
265.12183	7.5
267.11606	9.8
269.08054	6.2
269.13159	12.3
270.14096	7.0
271.14728	5.3
273.12512	5.8
275.14267	4.9
277.12125	5.6
281.13367	7.4
282.13928	6.8
283.14755	8.0
285.12994	9.6
285.16199	10.0
287.14148	6.0
289.05258	11.3
296.15417	5.0
297.16409	7.6
299.14212	7.1
300.11343	4.9
301.15805	6.3
311.14178	6.9
313.12198	6.1
313.15921	6.1
315.13699	10.2
315.17337	8.8
325.15778	4.8
327.13693	6.6
328.14676	5.8
329.15286	10.0
329.18900	5.7
331.16888	10.0
333.18527	20.0
339.17416	7.8
343.13275	6.1
343.16959	31.6
345.14798	12.8
345.18600	6.7
347.16290	6.2
347.20129	11.9
357.18555	38.7
359.19968	6.2
361.17972	23.5
361.27173	18.1
367.16891	5.5
370.15829	5.8
373.18127	10.7
375.19641	34.4
385.17963	41.7
389.21228	5.8
391.19131	11.9
393.20569	17.3
403.14005	8.5
403.19055	96.3
421.20050	52.2
439.21219	11.5
463.20969	31.3
467.20349	5.7
481.22476	6.5
583.34070	7.9
609.30292	10.4
627.33643	50.1
647.96570	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	627.1553
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
53.03952	0.4
55.01855	0.3
57.03440	2.0
61.02910	1.0
68.99798	0.6
69.03423	1.0
69.60522	1.7
71.04993	11.2
73.02922	0.5
75.04464	0.4
81.03422	0.7
83.04978	0.5
85.02908	15.6
87.04416	0.3
97.02880	1.5
98.21453	0.6
99.04466	0.4
107.39893	0.3
109.02885	1.0
111.00803	1.9
111.04418	0.7
125.02364	0.3
127.03905	1.0
129.05481	3.7
137.02330	1.2
145.04982	0.9
147.06453	1.4
149.05919	0.3
153.01826	6.8
153.05479	0.3
165.01889	2.4
166.02583	0.4
177.05479	0.5
179.03447	1.0
183.02888	0.9
183.56926	0.3
189.05388	0.5
203.03354	0.3
207.02873	0.4
217.04936	2.3
235.05835	0.3
245.04494	3.5
255.02928	0.5
273.03915	4.0
283.02463	0.3
290.04205	1.5
301.03476	0.7
303.05054	2.1
319.04486	100.0
320.04776	0.8
454.41690	0.4
481.09634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	8.4
57.03402	1.1
61.02890	1.2
69.03437	3.6
71.04966	0.5
71.18468	0.8
71.95255	0.7
73.02895	0.9
79.05467	0.5
81.03384	1.4
84.96040	2.2
85.02917	8.5
87.33324	0.4
91.03951	0.5
91.05453	0.9
97.02895	3.0
97.06457	0.7
98.97591	24.7
99.04388	0.8
101.00845	1.1
103.03896	0.4
105.03394	0.5
109.02831	0.8
110.97569	6.2
112.99094	2.1
116.97842	0.5
116.98626	9.1
119.01886	1.4
119.04892	1.5
124.99105	8.1
125.05962	1.6
125.99091	1.2
127.00681	2.6
127.03951	2.9
128.97803	0.5
128.98610	5.3
131.00110	1.2
131.01921	0.6
134.99660	2.0
137.02959	0.4
137.05887	0.8
137.99139	2.5
139.00650	0.8
140.98589	1.3
141.02231	1.0
141.92300	0.4
143.00174	26.9
143.01909	1.3
143.06996	0.9
143.99152	0.5
144.98085	1.0
145.01736	4.7
145.04913	1.6
146.99677	7.1
147.01448	0.7
147.03304	0.6
147.04404	3.4
150.99858	0.6
152.05646	0.8
152.98544	0.6
152.99608	0.6
155.01823	0.5
156.00131	0.7
157.01695	2.9
157.03383	0.5
158.50409	0.4
158.99661	8.6
159.03239	1.6
160.00458	2.1
161.01241	29.4
161.02855	1.7
161.08083	1.8
163.02728	2.1
163.03909	1.1
168.00082	2.0
168.05544	0.6
169.00952	1.3
169.03380	0.7
170.99658	3.8
172.05283	0.5
173.01155	1.2
173.02675	0.5
175.01149	0.6
175.02739	2.7
175.04124	0.5
177.00720	6.6
177.04306	1.2
177.05531	1.2
179.02338	5.8
181.00951	1.0
181.04884	0.5
182.99654	1.1
185.01244	14.5
185.02870	0.9
185.06667	0.9
187.01166	0.6
187.02756	6.9
187.04506	2.3
187.06021	0.4
188.01782	1.0
189.00710	2.5
189.04308	0.7
190.01450	1.1
191.02280	0.7
193.03767	0.5
197.01189	0.5
199.02747	3.7
200.04314	0.4
201.00694	7.3
201.02655	0.6
201.04373	3.1
202.01514	0.9
203.02290	30.1
203.03979	1.1
205.02345	0.4
205.03889	3.8
211.01964	4.5
212.00192	0.5
213.04333	0.9
215.02309	1.2
217.02000	0.7
217.03870	6.2
218.02843	1.2
219.01788	42.7
219.05315	1.9
220.02519	4.0
221.03355	3.9
221.05147	0.8
223.02847	2.4
223.04646	0.5
224.02951	0.5
226.04173	0.9
227.02032	0.4
229.03882	2.7
231.05402	2.2
232.02603	3.2
233.03299	1.9
235.04756	1.0
237.02843	36.3
238.02731	0.8
239.03194	1.0
241.03798	3.8
242.03381	1.0
245.03073	3.2
245.05191	1.3
247.04942	2.2
249.06651	0.5
251.04350	0.4
252.53775	0.6
253.03729	1.2
255.04077	0.8
259.04852	5.2
260.03952	0.6
261.02841	9.1
262.06989	0.7
263.04343	1.8
271.04855	2.2
273.03354	0.4
273.08176	1.2
275.04385	0.7
275.09970	0.5
277.05835	1.6
279.03870	7.8
289.05948	35.6
291.09244	0.5
293.05383	1.4
293.10849	0.6
301.06021	2.6
305.05463	10.5
305.55719	0.9
307.07034	11.9
319.03427	0.9
319.07031	13.6
323.06488	1.3
330.08646	0.5
331.07095	0.9
333.06744	0.8
333.10504	0.7
334.11774	1.2
335.11465	0.6
337.08023	6.4
343.07019	1.2
352.10147	0.6
355.08774	2.9
361.08017	37.4
362.09433	0.8
363.11221	0.7
374.11710	0.4
379.09137	100.0
380.09262	1.0
385.09137	1.1
402.10803	1.9
403.09000	0.6
407.08649	0.8
419.12314	0.8
421.10202	37.0
447.06644	0.5
447.11765	17.1
465.12918	3.9
466.11786	29.4
466.62067	5.8
467.12448	0.7
489.12582	0.6
507.14023	4.2
567.15839	0.9
585.17999	0.6
609.16919	4.8
627.18085	77.6
628.18420	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01886	0.8
55.05515	6.3
56.05857	0.3
56.10279	0.3
57.03436	0.4
57.07081	0.6
58.06605	33.3
59.05026	0.3
59.06933	0.3
60.04535	1.3
64.56206	0.2
65.03938	0.4
67.05510	3.4
68.05830	0.4
69.03440	1.1
69.07087	2.0
69.76136	0.6
69.76527	0.6
71.05015	0.7
72.08158	1.5
79.05499	3.5
80.05837	0.2
81.03427	0.8
81.07064	5.9
82.06614	0.4
82.07420	0.3
83.04989	38.4
83.08639	1.0
84.05331	0.3
85.02932	1.3
85.06562	0.6
85.99587	0.2
91.05486	4.3
92.05840	0.4
93.07057	5.1
94.07385	0.3
95.04977	1.6
95.08614	5.5
97.06549	1.5
97.10208	0.5
99.08134	0.5
100.07630	6.7
101.06042	0.2
103.05454	0.2
105.07031	6.9
106.07352	0.5
107.04979	0.7
107.08602	7.4
109.06511	1.5
109.10171	4.6
111.08112	2.0
114.09218	0.3
115.05508	0.3
117.07026	2.2
118.07394	0.4
119.04959	0.3
119.08591	9.0
120.08955	0.6
121.06553	1.2
121.10157	5.1
123.08076	3.6
123.11713	3.6
125.09644	0.9
128.06258	0.9
129.07048	2.3
130.07750	0.4
131.08580	4.2
131.09505	0.3
132.08928	0.3
133.06528	0.7
133.09161	0.3
133.10143	7.1
134.10535	0.6
135.08058	2.7
135.11682	1.8
137.06000	0.3
137.09604	2.8
137.13301	0.5
139.07588	0.7
139.11226	0.6
141.07047	0.8
141.09143	0.7
142.07796	2.3
142.08640	0.2
143.08578	4.1
144.09314	0.4
145.06523	0.7
145.10136	6.5
146.10506	0.3
147.08067	2.7
147.11700	5.2
148.08427	1.0
149.09642	2.4
149.13306	0.6
151.11169	1.3
153.07030	0.4
155.06091	0.3
155.08586	1.8
156.09334	0.9
157.10143	9.1
158.10724	0.8
159.08096	1.4
159.11726	5.2
160.08475	0.4
160.12141	0.6
161.09648	2.2
161.13286	2.9
162.10033	0.5
163.07558	1.4
163.11235	2.2
164.07933	0.7
165.06927	0.4
165.12807	0.5
167.08624	0.6
168.09348	0.6
169.10146	2.6
170.10864	0.9
171.08119	0.5
171.11719	6.2
172.12183	1.1
173.09698	1.8
173.13312	3.3
174.10165	0.4
175.07597	0.3
175.11211	3.5
175.14912	0.6
177.12788	0.8
179.08604	0.5
179.10704	0.7
179.14363	0.5
180.09239	0.5
181.10164	1.6
182.10918	0.8
183.11729	3.4
184.08830	0.3
184.12314	0.8
185.09647	0.9
185.13298	3.7
186.13673	0.8
187.11209	0.9
187.14861	1.6
189.12738	2.2
189.16373	0.4
191.10683	0.4
191.14336	1.4
193.10207	0.7
194.10922	0.6
195.11700	2.1
196.12393	0.9
197.09686	0.5
197.13307	2.4
198.10268	0.3
198.13760	0.3
199.11220	1.7
199.14821	1.5
200.11528	0.4
201.12778	1.8
201.16583	0.3
202.09508	0.4
203.14304	2.2
207.11737	1.0
208.12338	0.4
209.13304	2.0
210.13834	0.3
211.11281	0.6
211.14835	1.5
213.12782	1.9
213.16463	0.7
214.13240	0.8
215.14368	2.6
217.12376	0.4
217.16016	1.0
219.11729	0.4
219.13878	0.3
220.12453	0.5
221.13332	1.1
221.15366	0.5
223.14780	1.5
224.15781	0.3
225.12915	0.6
225.16405	1.6
226.13409	0.3
227.14383	1.1
227.17902	0.6
229.12413	0.3
229.15906	0.6
232.14285	0.3
233.13350	0.6
234.13919	0.3
235.14893	1.0
237.12790	0.4
237.16505	0.9
239.14304	0.9
239.18033	0.5
241.12312	0.4
241.15897	0.6
243.17717	0.4
245.15433	0.5
247.14745	0.3
248.15511	0.3
249.16469	0.8
251.14403	0.3
251.17952	0.6
253.15941	0.7
253.19429	0.3
255.13737	0.3
255.17569	0.4
261.16550	0.5
262.16946	0.3
263.18015	0.5
267.17511	1.1
269.19025	0.8
271.20587	0.3
274.15292	0.3
279.17453	1.0
281.15900	0.2
281.19101	0.7
281.22653	0.4
283.20605	0.5
287.20236	0.3
291.21060	0.6
295.20779	0.5
297.18549	0.9
307.20731	0.7
309.22153	5.3
311.23499	0.3
323.23776	1.6
325.21542	0.3
327.23193	1.2
333.22098	0.6
347.23880	0.5
349.25284	0.4
350.21869	0.4
351.23172	1.4
365.24869	0.4
367.26306	0.5
375.23438	0.4
377.24738	0.8
393.24414	0.8
394.24747	0.6
395.25775	1.3
403.29932	0.5
409.27399	0.5
411.25421	0.9
413.27768	0.5
421.22708	0.4
421.31006	1.5
422.22842	0.5
431.29443	2.6
449.30560	7.1
467.31702	2.6
495.31116	3.2
508.34387	0.8
526.35138	2.6
549.35675	0.4
594.30939	0.3
626.40509	100.0
627.40753	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.6
55.05503	12.5
57.07071	3.7
58.02141	1.8
65.03938	2.9
67.05510	29.9
69.03423	10.6
69.07068	23.8
70.06586	4.3
71.04997	5.1
71.55548	2.4
73.74865	2.0
79.05496	18.2
81.03426	6.0
81.07059	100.0
82.07389	2.8
83.04996	5.4
83.08636	9.7
85.02935	9.2
86.06115	2.6
87.00842	2.2
87.04491	2.7
90.23037	2.1
91.05489	13.3
93.07048	27.7
95.04985	7.9
95.08614	77.6
96.08963	2.3
97.02895	4.7
97.06576	6.8
97.10179	10.1
99.04481	3.2
105.01869	2.6
105.07040	20.6
107.08604	36.7
108.08946	2.6
109.02882	2.8
109.06541	3.6
109.10158	52.5
111.08131	4.8
111.11733	7.7
113.06042	2.3
115.69550	2.2
116.07167	2.9
117.07030	4.0
119.08591	24.9
121.06551	4.5
121.10153	27.3
123.08076	3.4
123.11703	19.4
125.09640	5.2
127.03942	4.9
129.06981	2.6
131.04922	3.0
131.08609	6.0
133.10147	12.2
135.08040	2.5
135.11687	24.0
137.05969	10.4
137.09636	3.4
137.13289	7.0
139.11246	4.3
143.08598	3.7
145.10138	10.5
147.08148	2.6
147.11731	10.4
149.06082	2.7
149.13232	16.8
151.07570	2.6
151.14883	2.2
153.05472	4.8
157.10144	5.6
159.11748	8.3
161.09634	3.4
161.13271	13.1
163.11299	2.4
163.14853	9.4
165.12834	3.9
167.07121	2.4
169.10115	2.3
171.11702	5.0
173.13315	3.1
175.11201	2.8
175.14865	5.2
177.16443	5.0
182.10771	2.3
183.11714	3.6
183.13852	2.6
189.16530	2.7
191.10718	3.5
191.17995	6.9
195.11717	3.8
197.88516	2.0
207.11778	2.8
209.13243	2.9
213.12784	2.6
215.10649	2.4
221.13365	3.7
230.49030	2.9
245.22783	2.9
259.24274	3.6
271.24265	14.1
277.25357	7.2
289.25247	35.5
295.26398	8.7
306.25146	4.7
307.23074	2.1
307.26324	53.5
324.26151	5.6
325.23837	3.3
325.27344	3.7
341.26654	2.6
342.27368	7.5
343.15338	5.1
343.28662	3.3
357.20712	6.2
361.16437	4.2
397.20093	3.3
407.22079	4.9
411.21948	2.6
425.23227	6.9
427.17429	2.2
427.24734	2.3
432.24146	2.1
435.21710	3.8
443.24210	3.7
453.22693	11.5
471.23889	11.9
489.25034	2.5
526.17615	2.4
538.90045	2.2
626.26923	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	626.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34393	4.1
53.03949	9.7
55.05505	20.4
57.30348	4.5
67.05511	12.7
69.03414	8.5
79.05489	20.1
81.07056	16.0
83.04986	24.8
91.05492	21.4
93.07048	20.6
95.04983	10.7
95.08638	10.2
98.09266	4.2
103.05556	4.8
105.03413	23.6
105.04476	4.9
105.07045	27.8
107.04954	5.4
107.08598	16.7
109.06518	9.4
109.10123	4.8
115.05434	7.5
117.07037	10.3
119.08582	34.2
121.06525	8.6
121.10141	12.7
123.08061	5.8
128.06229	5.2
129.07022	10.0
130.07845	5.7
131.04944	6.4
131.08594	22.3
133.06490	17.8
133.10162	21.9
135.08057	9.3
141.07039	6.6
142.07761	9.9
143.08562	22.1
145.06500	11.0
145.10124	21.8
147.08055	16.6
149.09656	23.3
155.08565	11.3
156.09335	17.2
157.10146	31.1
159.08083	24.3
159.11646	21.2
161.06013	7.8
161.09644	13.8
163.07518	8.9
163.11131	6.4
167.08389	5.1
169.10136	21.1
170.11006	8.3
171.08017	9.6
171.11694	62.6
173.09613	24.2
173.13243	5.0
175.07573	5.7
179.08578	7.5
180.09404	5.7
181.10095	7.0
182.11008	5.3
183.11699	43.9
184.08780	4.4
185.09703	11.8
185.13263	28.9
187.11255	11.0
193.10060	10.4
194.10779	4.6
195.11662	10.9
197.09654	6.2
197.13297	13.2
198.10460	6.5
199.11206	16.3
201.12700	9.4
207.11690	11.5
209.09653	7.1
209.13330	11.2
211.11214	12.4
213.12753	34.3
219.11772	8.0
221.07628	4.9
221.13240	15.4
223.11194	10.7
223.14761	9.2
225.12685	6.8
229.12135	5.8
231.11797	8.7
231.13860	10.9
232.12459	5.1
233.13347	9.4
234.13994	8.2
235.11255	6.2
235.14798	8.5
237.12860	5.5
243.11649	8.6
243.13927	9.1
244.12483	8.5
245.13351	9.9
245.15450	19.3
246.14011	5.9
247.10992	5.6
247.14822	8.1
248.15443	5.7
249.12737	5.3
249.16402	9.7
257.13251	7.5
259.14740	10.2
263.14304	9.0
271.14862	4.7
273.14731	8.6
275.14517	7.5
277.15921	10.1
288.15005	6.7
289.15985	6.1
291.17584	8.1
301.15872	6.3
303.17310	10.9
305.18866	5.7
307.16913	7.6
321.18539	10.3
331.16867	8.1
333.18365	6.6
334.69574	4.4
337.18060	6.5
349.17975	8.7
351.19675	6.6
359.16360	6.8
365.17508	6.6
369.20667	59.3
373.17850	10.0
377.17346	9.9
381.20389	7.8
387.21918	27.2
388.19983	5.2
391.18930	5.4
395.18573	8.7
409.20117	13.8
411.21506	7.2
419.18585	11.2
423.21600	8.5
425.23376	12.7
427.21576	5.6
433.20239	7.2
437.19202	15.1
439.21088	7.3
451.21255	31.5
455.20636	8.9
469.22232	50.0
487.23297	100.0
509.25073	10.1
609.26880	6.4
626.31714	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	626.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.8
54.30760	4.1
55.05515	34.1
57.56717	4.4
67.05487	7.6
69.03402	10.8
69.07059	8.5
79.05483	18.8
81.03407	8.6
81.07040	13.3
83.04975	44.3
84.05322	10.4
86.21998	4.8
91.05484	34.1
93.07031	20.1
95.04955	17.7
95.08601	10.3
103.05451	16.7
105.03399	62.8
105.04488	5.9
105.07031	49.0
107.04980	6.2
107.08584	18.5
108.04486	11.8
109.06501	8.3
115.05419	12.0
117.07052	35.3
119.04900	7.8
119.08595	58.3
119.71138	4.7
121.06535	7.6
121.10115	6.4
123.27925	4.5
125.05911	5.0
128.06238	8.7
129.06981	15.9
131.04948	39.2
131.08562	37.9
133.06508	30.3
133.10150	35.8
135.08043	19.9
141.06958	8.5
142.07791	10.3
143.08582	30.2
145.06499	32.2
145.10129	31.1
146.07130	4.5
147.08055	35.6
147.11624	7.3
149.05995	8.2
149.09589	14.2
155.08543	16.8
156.09338	18.4
157.06476	6.0
157.10139	65.1
159.08054	27.3
159.11703	45.8
161.05966	22.2
161.09631	19.5
161.13272	4.8
163.07529	16.0
165.06999	6.4
167.08516	7.7
169.10123	37.9
170.10873	18.5
171.08008	14.1
171.11690	100.0
173.06006	8.0
173.09590	21.7
173.13252	23.5
175.07593	29.2
175.11165	9.8
177.05495	5.8
179.07025	7.7
179.08542	7.3
180.09180	5.6
181.10031	14.5
182.10918	6.1
183.08107	7.6
183.11716	72.9
184.08592	4.8
185.09589	22.1
185.13306	66.6
187.07535	10.7
187.11234	22.8
188.10686	16.1
189.05505	9.0
189.09006	5.8
189.12645	8.2
191.07014	10.8
193.08537	16.7
193.10141	12.4
195.11678	20.1
197.09566	13.0
197.13210	15.4
198.10406	8.3
199.11174	27.3
201.09152	6.7
201.12790	24.2
205.04802	4.7
207.11678	21.6
209.09814	7.9
209.13272	8.4
211.11150	19.2
213.09119	13.2
213.12758	72.4
215.10728	5.9
215.14272	7.6
217.08417	7.4
217.12144	9.0
218.10982	7.6
219.11763	7.1
219.13757	6.1
221.13258	16.6
223.11169	7.8
227.10681	5.8
229.12297	22.8
231.11833	9.1
231.13686	24.9
233.13379	8.2
233.15387	17.9
234.13730	6.2
235.14772	7.7
237.12752	8.6
239.14427	6.1
241.12239	7.7
243.11870	10.4
243.13831	15.5
245.13194	12.5
245.15385	33.6
246.14032	6.0
247.11098	5.5
247.13263	19.6
249.12674	11.5
251.14490	5.7
253.24550	5.8
255.13748	9.4
258.14041	8.1
259.13269	7.1
260.15671	8.0
261.12500	8.2
263.10538	5.7
263.16461	9.5
269.13168	8.8
270.13724	7.9
272.15302	7.5
273.12390	7.6
273.14706	33.0
281.13104	8.4
283.11093	5.8
283.14609	7.1
284.15488	5.4
285.16159	8.5
287.14441	7.9
287.17685	8.6
291.15976	32.9
297.12567	6.3
299.18008	9.0
301.12531	7.3
301.15887	11.9
313.15918	7.6
315.13885	8.0
315.17447	5.8
317.15298	8.0
317.18970	5.5
319.16833	6.2
327.17505	6.1
329.15277	17.5
331.16702	14.9
333.18304	9.9
341.15363	7.2
343.13123	5.6
343.16873	12.6
345.18494	16.8
347.16391	17.5
349.18018	15.4
355.16806	12.9
359.16312	16.9
361.18042	11.6
363.19595	10.0
365.17615	7.2
371.16687	9.2
373.17935	35.4
375.19437	10.0
377.17361	12.0
379.19028	11.0
383.16330	6.3
388.19946	7.2
389.17392	20.3
390.43674	5.2
391.19055	30.5
395.18640	18.3
401.17307	16.0
403.19019	16.1
405.20804	26.7
407.18481	12.0
409.20010	11.4
413.19244	6.4
415.18976	14.5
419.18503	33.4
421.20053	38.3
423.21768	23.9
425.19534	16.7
433.20123	39.7
437.19620	31.0
439.21167	5.6
443.20407	7.8
451.21262	54.9
455.20758	11.0
469.22165	57.8
487.23242	17.9
559.23187	20.5
573.24805	16.1
577.24500	37.1
591.25970	38.3
598.30469	29.7
626.30646	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	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.9
55.01848	2.2
55.05516	25.9
57.03433	7.7
57.07047	4.1
65.03938	5.0
67.05510	79.2
69.07079	18.9
71.04402	3.6
71.04704	2.8
74.49656	2.3
79.05500	79.9
81.03413	2.9
81.07065	90.3
83.04975	6.7
83.08609	13.0
85.06548	5.6
91.05486	100.0
93.07057	57.6
95.04969	10.6
95.08611	53.5
97.06519	5.0
97.10175	4.8
102.88439	2.2
105.04541	2.4
105.07042	56.0
107.08601	30.8
109.06523	8.3
109.10165	15.9
111.08100	4.0
115.05451	6.6
116.06257	3.2
116.42589	2.4
117.07027	49.0
119.08590	37.3
121.10149	43.1
123.08033	7.0
123.11739	3.6
125.09610	3.3
128.06209	13.7
129.07030	20.4
130.07768	4.2
131.08571	61.1
133.06496	4.7
133.10155	34.5
135.07997	3.3
135.11702	21.7
141.06992	8.1
142.07767	3.3
143.08569	43.3
145.06526	3.1
145.09052	3.8
145.10129	53.2
147.08060	5.8
147.11685	14.2
149.09691	3.6
149.13287	10.9
155.08580	8.1
157.10155	15.6
159.11729	21.4
161.09654	3.5
161.13242	11.1
163.11217	5.9
169.10127	8.8
171.11736	16.1
171.92836	2.6
173.13283	10.5
175.14896	3.8
177.12752	4.4
181.10139	7.1
183.11705	9.0
185.13255	6.0
195.11690	8.3
195.13373	2.7
197.13374	3.2
209.13359	3.0
211.14861	4.3
227.17924	3.3
237.16365	7.2
239.17888	4.8
255.17471	7.6
257.19052	20.4
259.20612	11.3
273.18469	20.4
275.20029	12.2
277.21518	7.3
315.23294	3.1
331.22696	10.1
333.24185	7.2
335.25830	29.0
347.22110	12.7
349.23792	8.0
351.25378	5.8
473.93265	2.8
519.23633	3.0
527.37219	3.2
547.26050	7.6
565.26990	3.3
593.26904	7.5
607.27765	5.8
607.43329	23.3
608.27875	7.3
625.28943	66.9
625.44409	56.5
626.29108	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.2
50.52831	0.9
51.02377	2.3
53.03956	6.2
55.01862	4.0
55.05517	40.6
57.03443	10.5
57.07061	2.6
59.04993	0.9
64.91779	0.9
65.03947	6.7
67.05511	87.7
69.03424	2.4
69.07072	27.0
71.05000	5.6
71.08642	1.4
77.03927	1.6
79.05498	74.9
80.05821	1.1
81.03452	0.9
81.07065	85.0
82.60369	0.8
83.04985	5.7
83.08624	15.4
85.06535	2.8
91.05486	100.0
92.05830	1.9
93.07050	75.0
94.07372	1.6
95.04969	10.0
95.08614	60.8
96.08878	1.3
97.06526	9.3
97.10172	7.1
99.08106	2.8
101.06040	1.0
103.05502	5.1
105.04512	2.9
105.07040	62.8
106.07350	1.2
107.04973	4.5
107.08601	33.4
109.06522	8.7
109.10168	17.6
111.08092	4.2
111.11714	1.2
115.05460	9.8
116.06285	4.3
117.07027	50.7
119.04962	2.2
119.06137	1.0
119.08588	41.3
119.57382	1.1
120.48368	0.9
121.06532	4.4
121.10151	29.8
123.08096	5.2
123.11738	4.5
125.09649	3.5
128.05276	1.2
128.06230	23.4
129.07022	24.6
130.07823	11.4
131.08580	80.0
132.08919	1.0
133.06476	5.0
133.07420	1.0
133.10138	27.6
135.08064	6.9
135.11708	17.2
137.09619	2.6
137.13310	1.2
139.11151	2.9
141.06999	12.3
142.07794	6.2
143.08569	72.5
144.09352	2.3
145.06482	3.7
145.10136	79.9
146.10590	1.0
147.08069	7.9
147.11707	12.5
148.11983	1.2
149.09642	5.3
149.13292	6.2
151.11192	1.3
154.07764	2.3
155.05984	1.3
155.08591	10.4
156.09308	1.5
157.10136	23.4
159.08031	2.7
159.10431	1.7
159.11711	23.8
159.13022	1.4
161.09636	8.6
161.13251	5.9
163.11197	4.0
163.14816	2.0
165.07018	2.9
165.12729	1.4
166.07814	1.6
167.08569	4.0
168.09326	1.4
169.10143	15.0
171.08154	1.4
171.11688	18.5
173.09651	1.8
173.13316	7.7
175.11189	4.5
175.14792	2.9
177.12756	4.1
180.09348	1.4
181.10147	11.0
183.11707	11.1
185.09604	1.7
185.13266	9.3
187.11171	2.3
187.14859	2.1
189.12762	2.1
193.10176	1.1
195.11710	15.6
197.13286	3.2
199.11203	3.3
199.14850	2.4
201.12727	3.0
201.16344	1.0
203.12701	1.5
203.14441	1.7
207.11641	1.2
209.13292	4.3
211.14841	3.5
213.12738	3.4
222.14108	1.0
227.17987	3.3
231.13985	1.2
237.16409	16.3
239.18042	2.2
241.14331	2.1
241.19568	1.5
245.19023	3.4
255.17497	11.7
257.18896	5.8
257.86319	0.9
259.20615	4.0
261.22150	3.9
273.18503	42.1
274.18857	1.6
275.20023	4.9
277.21594	2.8
291.19531	2.7
298.01645	0.9
329.21185	4.7
331.22647	4.8
333.24219	3.1
334.24435	1.2
335.25818	92.3
336.26013	1.4
347.22177	18.6
349.23804	3.8
351.25320	4.2
421.20154	1.6
422.21048	1.3
423.21664	4.1
435.21542	2.5
436.21982	1.1
437.23575	1.0
449.23322	1.0
461.23163	1.4
477.22653	1.1
478.22473	1.4
493.22607	1.6
495.24295	1.3
508.25073	4.4
509.25186	3.0
510.26346	1.3
515.38422	1.2
527.37183	1.2
533.39771	1.6
537.24963	4.5
538.25549	1.7
565.24774	1.9
583.24902	1.2
589.41949	1.0
597.27234	7.8
607.34131	1.4
607.43591	25.6
625.28461	21.7
625.44543	30.2
626.26410	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
53.06007	1.3
55.01873	4.4
55.05516	21.0
57.03427	3.4
57.20905	1.2
58.06390	1.1
58.06602	12.0
67.05509	28.8
69.03412	5.1
69.04548	5.4
69.07080	11.6
71.04990	2.3
71.55259	1.8
79.05062	2.1
79.05496	24.3
81.03409	3.2
81.07062	30.6
83.04505	1.4
83.04987	26.4
83.08601	5.0
85.02889	2.7
89.37759	1.3
91.04971	2.4
91.05492	32.9
93.07047	22.4
95.04970	5.5
95.08626	19.6
97.06516	4.5
97.10183	3.7
99.08041	1.6
100.07646	1.8
103.05466	3.7
105.07035	27.6
107.04948	4.0
107.08604	13.5
109.06508	4.5
109.10179	11.4
110.39265	1.4
111.08044	2.6
115.05453	3.4
117.06319	1.8
117.07032	16.7
119.06094	1.8
119.07796	2.2
119.08591	28.7
121.06496	5.7
121.10168	11.4
123.08084	2.8
125.09624	1.7
128.06258	4.3
129.07033	13.7
131.04945	7.9
131.08574	27.6
133.06532	3.2
133.10147	20.8
135.08046	5.6
135.11674	4.0
137.09587	3.0
141.06985	4.4
142.07762	3.3
143.08574	16.2
145.06479	6.3
145.10144	19.3
146.10493	1.6
147.08076	16.0
147.11685	4.0
149.09622	4.6
154.07803	1.7
155.08615	9.0
156.09299	4.3
157.10147	17.8
159.08086	9.8
159.11705	10.6
160.12001	1.5
161.09604	10.2
161.13243	3.0
163.07561	7.8
163.11220	2.6
165.07072	2.0
165.09096	1.5
167.08521	3.3
168.09409	1.7
169.10114	10.9
170.10867	2.8
171.08052	3.6
171.11722	18.7
173.09608	8.0
173.13245	3.4
175.07561	3.6
175.11237	3.0
181.10110	6.8
183.11690	10.9
185.09593	5.5
185.13307	12.5
187.11230	4.0
187.14879	2.9
188.63098	1.4
193.10199	1.8
195.08157	2.2
195.11641	6.3
197.09659	2.9
197.13274	4.6
197.53647	1.6
199.11162	6.0
199.14713	2.0
201.12753	3.4
207.11601	1.6
209.13208	4.2
211.14780	3.4
213.12796	8.6
215.14342	2.7
217.12094	1.7
221.13268	3.3
223.14900	1.5
225.12804	1.7
225.16185	1.7
231.13814	3.9
233.15405	2.0
235.14786	1.9
237.12943	1.8
241.12268	2.4
243.17699	1.8
245.15359	3.1
249.16322	1.8
251.14214	1.8
259.13327	2.4
269.13007	1.7
271.17194	1.6
273.14987	2.7
283.14728	1.9
301.15964	2.0
319.16910	1.5
325.25156	1.8
327.17239	2.5
331.20520	1.4
335.23630	3.1
343.26300	3.1
353.24692	11.3
369.18497	2.8
371.25717	12.5
387.19577	7.6
389.26813	14.9
405.20511	5.9
419.22263	2.8
423.21436	1.9
427.28537	2.8
445.29535	100.0
446.29156	2.3
463.30786	52.0
494.30188	1.5
570.89966	1.5
607.43518	2.2
625.30353	6.9
625.39294	32.8
626.40698	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.05513	19.1
57.03442	3.2
57.07065	5.8
57.11821	3.2
59.79401	2.9
67.05233	3.1
67.05511	37.2
69.03416	14.7
69.06723	3.6
69.07076	33.5
70.80949	2.9
70.83601	5.3
71.04984	11.8
73.02888	3.4
74.33514	3.0
79.05502	23.7
81.03421	20.7
81.07056	87.5
83.04962	11.7
83.08606	15.4
85.02905	30.9
85.06522	9.5
87.00825	8.5
91.05469	22.3
93.07051	47.9
95.04974	100.0
95.08610	61.2
97.02872	7.8
97.06529	11.3
97.10145	8.7
99.04452	10.4
99.08087	3.7
105.01839	14.5
105.07040	44.4
107.04980	6.3
107.08595	40.3
109.02873	7.5
109.06535	18.2
109.10168	45.1
111.04455	3.1
111.08035	4.5
111.11703	3.8
117.07031	11.1
119.08588	40.3
121.06478	7.9
121.10140	35.1
123.04396	6.4
123.08092	6.3
123.11708	21.8
127.03898	14.6
127.07478	3.9
129.05432	3.1
129.07016	5.6
131.08566	13.4
133.06482	4.2
133.10141	27.6
135.08014	15.5
135.11702	22.8
137.05948	9.2
137.09586	5.7
137.13191	7.4
142.07851	3.7
143.08554	7.8
145.04968	4.3
145.10104	23.7
147.07977	4.3
147.11702	24.7
149.09586	7.9
149.13245	10.9
151.07545	5.0
151.11104	4.5
157.10101	13.5
159.11700	19.1
161.13268	21.8
163.11160	12.7
163.14796	9.1
165.09169	3.9
165.12772	5.7
171.11705	6.0
173.13278	7.8
175.11111	3.8
175.14804	8.4
177.12758	5.1
177.16386	6.1
181.12233	9.5
185.13251	3.8
187.14775	12.6
189.16400	11.2
191.10707	3.5
191.14433	4.7
203.18056	17.1
205.15869	5.7
213.16306	15.7
221.18941	11.9
223.16885	7.8
229.19432	5.7
231.04918	3.7
231.17361	10.5
239.20081	24.3
247.20558	10.8
249.18495	50.7
265.21533	7.2
267.19559	49.1
269.17480	4.8
269.22501	7.2
287.23737	19.0
305.24673	14.7
317.06616	13.0
323.25717	8.2
341.26724	12.3
390.03452	3.2
449.19501	3.4
508.19873	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.7
55.01854	5.4
55.05517	66.5
57.07068	9.6
57.29910	4.3
67.05504	37.9
68.18883	4.6
69.03432	16.8
69.07069	45.9
70.51142	8.8
71.04982	12.2
71.08648	4.9
74.24990	4.9
79.05486	21.2
81.03407	13.8
81.07059	96.3
82.71896	4.5
83.04981	70.3
83.08617	26.6
85.02887	18.9
85.06538	11.6
87.00838	6.1
91.05487	34.5
93.07048	55.0
95.04960	12.5
95.08611	100.0
97.02883	10.2
97.06518	12.9
97.10163	20.4
99.04469	5.7
103.05473	8.5
105.01857	4.8
105.03405	4.6
105.07031	53.0
106.25842	4.1
107.04921	6.5
107.08607	57.5
109.02867	11.1
109.06506	9.9
109.10160	66.8
111.08116	7.4
111.11713	14.0
113.05965	6.5
117.07056	9.1
119.08585	39.3
121.06414	5.1
121.10146	56.4
123.08103	10.8
123.11699	35.3
125.09608	6.7
127.03917	14.3
128.06210	6.1
129.06970	6.5
130.49979	4.9
131.08571	17.1
133.06487	12.7
133.10133	37.5
135.08052	6.0
135.11699	22.2
137.09570	11.6
137.13232	17.0
139.11226	4.6
142.07803	7.8
143.08600	9.1
145.06480	11.7
145.10123	19.3
147.08057	19.6
147.11693	25.0
149.09602	9.3
149.13260	20.9
155.08548	8.8
156.09409	7.3
157.10124	16.4
159.08064	5.7
159.11719	14.7
161.05984	8.7
161.09607	14.1
161.13275	12.3
162.84378	5.2
163.07491	7.8
163.11179	9.6
163.14796	7.7
168.79970	4.8
169.10107	14.0
171.08006	6.6
171.11705	16.4
173.04475	5.9
173.09563	8.1
173.13289	7.7
175.14793	9.7
177.16351	13.9
179.17912	14.5
181.12231	6.9
183.08083	5.5
183.11682	20.2
185.09634	11.5
185.13271	8.6
187.14886	7.5
189.16385	18.4
193.12164	4.5
195.11711	9.7
197.13190	5.0
197.19058	4.8
199.11189	13.1
203.17987	13.3
205.19545	13.6
207.11758	6.9
208.12628	6.3
211.11147	10.8
213.12785	17.7
213.16302	6.4
221.13115	6.7
221.18878	12.5
223.16931	6.0
229.12288	5.2
231.17546	7.7
239.20081	7.3
241.17981	11.7
249.18504	60.7
250.53973	4.9
257.21063	25.3
263.14331	7.4
265.21765	8.7
267.19559	81.9
285.20587	38.5
287.23737	4.5
305.24680	27.7
323.25754	26.0
327.17398	6.1
329.15286	8.6
337.15497	5.0
347.16211	5.0
369.18863	10.7
375.19141	5.7
377.20905	7.7
387.19656	23.9
405.20547	12.3
467.30176	5.1
607.28113	4.9
625.22046	13.8
625.29236	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	625.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48088	1.9
53.03946	2.2
55.01873	10.3
55.05267	2.4
55.05515	35.9
55.99246	1.5
57.03418	2.0
57.07058	5.4
57.94273	1.6
58.59999	1.6
67.05518	11.6
69.03424	5.2
69.04551	6.1
69.07072	4.5
70.10167	1.8
71.05004	2.2
71.55156	1.6
79.05499	13.9
81.03416	9.5
81.07058	12.5
83.04987	52.5
83.08622	2.0
85.06541	2.1
91.05488	30.8
91.82211	1.5
93.07047	13.4
95.04979	8.3
95.08630	8.4
97.06528	2.5
97.10149	1.5
99.04459	1.7
103.05466	7.8
105.07043	17.6
107.04984	5.0
107.08591	8.7
109.06548	4.2
109.10177	3.5
115.05468	6.8
117.07022	16.2
119.08584	22.2
121.06510	6.1
121.10155	6.3
123.08061	2.3
127.03892	1.5
128.06232	6.0
128.07140	1.6
129.07002	15.8
130.07817	2.8
131.04927	13.1
131.08583	26.8
133.06468	4.1
133.10138	15.8
135.08072	7.1
135.11711	2.8
141.07039	6.0
142.07782	6.0
143.08551	13.4
145.06503	11.6
145.10156	14.1
147.08046	39.7
147.11711	4.1
149.09619	7.5
155.08600	6.6
156.09344	9.9
157.10141	23.3
158.07272	3.5
159.08057	43.4
159.11647	9.7
160.99355	1.8
161.09628	23.2
161.13321	2.8
163.07526	16.1
165.07086	2.2
165.09158	1.8
167.08528	2.7
169.10159	10.7
170.10938	6.4
171.08118	9.2
171.11697	24.5
172.08896	2.8
173.06064	4.0
173.09639	16.2
173.13271	2.4
175.07588	7.9
175.11139	3.9
177.09225	3.8
179.08540	3.4
179.10681	2.6
181.10161	5.6
183.08113	2.8
183.11719	13.1
184.08774	2.1
185.09669	11.4
185.13258	15.2
187.07613	5.0
187.11244	9.7
189.09138	2.5
189.12791	4.0
191.10710	2.1
193.10062	4.0
195.11726	7.7
197.09634	6.8
197.13287	4.7
199.11189	11.8
200.11932	1.9
201.09102	2.4
203.10634	2.4
207.11713	4.7
209.13370	3.9
211.11208	4.3
213.09177	2.5
213.12750	14.2
215.10771	3.4
217.08534	2.9
217.10478	2.0
217.12163	7.9
219.11786	2.2
219.13780	2.0
221.13318	4.1
223.11253	3.4
223.14746	2.2
227.10806	2.5
229.12323	5.7
230.11089	2.1
231.11809	1.9
231.13792	14.0
232.12334	2.1
233.13403	3.9
235.11147	2.0
235.14929	1.8
237.12889	2.8
237.16559	3.0
239.10638	2.6
239.18141	1.6
241.10153	1.9
241.12323	5.2
243.13911	2.3
244.12581	3.4
245.11705	3.4
245.15460	4.0
246.10555	2.1
247.11162	3.1
247.14917	3.1
249.12717	2.6
258.10333	1.7
258.14059	2.5
259.13263	14.5
261.12814	4.2
263.14490	2.7
268.12500	2.4
269.13290	2.3
271.11246	3.0
271.14761	2.6
272.12073	1.9
273.14981	2.0
275.14270	3.4
277.14395	2.3
284.12021	2.3
285.12717	2.8
286.13647	2.3
287.14432	4.7
289.12430	2.8
289.15802	2.2
295.11783	1.9
297.12738	4.2
298.13385	2.3
299.14331	3.6
299.17532	1.9
301.15915	4.8
312.14935	1.7
313.15900	2.8
315.17419	5.7
317.19165	2.9
327.13818	2.3
327.17529	3.1
329.15442	3.5
329.19006	3.8
341.19189	2.8
343.16962	2.1
345.18558	3.6
347.16461	2.1
353.24973	3.1
357.18622	3.2
359.20300	4.2
363.19553	3.9
369.18472	4.0
371.25977	3.2
375.19485	3.7
377.21057	7.8
387.19565	17.2
389.21341	4.4
389.26355	2.9
391.22687	2.5
401.21039	4.2
405.20648	27.9
407.22079	2.7
419.22260	4.6
423.21695	20.7
435.21606	2.6
437.23297	4.9
445.29544	24.4
463.30710	6.7
477.22510	30.9
505.25717	2.3
523.27039	4.0
525.28448	6.9
593.30957	2.0
607.33075	7.1
625.27759	100.0
625.38019	4.7
630.31207	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01877	0.9
55.05513	5.4
57.02089	0.4
57.03436	1.5
57.07072	0.7
59.05003	2.9
65.03930	0.6
67.05508	11.3
69.03428	0.6
69.07079	3.2
69.22651	4.0
69.23069	1.0
71.05003	0.7
79.05499	11.3
81.07060	10.9
83.04977	1.3
83.08620	1.5
87.74471	0.5
91.05487	13.1
93.07056	11.0
95.04987	1.5
95.08617	8.6
97.06529	0.8
97.10175	1.3
97.83898	0.4
102.66559	0.5
103.05490	0.6
105.07043	8.0
107.08612	4.9
109.06548	1.1
109.10155	2.9
115.05466	1.0
117.07024	6.4
119.08612	5.1
121.10152	5.1
123.08095	0.7
125.09659	1.1
127.07509	0.7
128.06255	2.2
129.07001	3.1
130.07822	0.9
131.03020	0.4
131.07629	0.5
131.08580	10.1
131.09531	0.7
133.06503	0.8
133.10146	4.4
135.08089	0.7
135.11682	2.3
141.07014	1.3
143.08572	7.3
145.06482	1.0
145.10133	8.9
147.08075	2.0
147.09198	0.5
147.11708	2.7
149.09695	0.8
149.13322	0.6
155.08617	1.7
157.10135	3.0
159.08046	1.0
159.11682	3.7
161.09654	1.4
161.13271	1.0
163.11183	0.8
169.10181	1.9
171.11697	3.5
173.13275	1.5
175.11160	0.9
177.12767	0.5
181.10167	0.7
183.11760	1.4
185.13303	1.8
193.10187	0.6
195.11716	2.0
195.14134	0.5
197.13226	0.7
199.14798	1.0
201.16344	0.5
209.13240	0.8
213.12923	0.8
213.16579	0.5
237.16447	1.4
239.17979	1.0
255.17535	1.7
257.19043	2.8
259.20657	1.0
273.18539	5.6
275.20209	0.5
277.21774	0.5
291.19543	1.4
329.21005	0.6
330.21124	0.6
331.22751	1.2
335.25864	5.7
347.22208	2.1
349.23773	0.9
351.25436	1.3
391.19308	1.1
392.19830	0.6
393.21039	0.8
405.16595	0.9
405.21225	1.0
407.22620	2.2
419.18747	2.3
419.23209	1.2
420.19135	0.8
421.20050	1.1
431.18716	1.6
432.19574	0.6
433.19995	4.2
434.20526	2.5
435.21628	3.5
444.70786	0.5
445.20227	2.3
446.20996	1.3
447.21957	3.3
459.21677	0.8
460.22491	2.5
461.23688	2.8
462.24704	0.9
463.20959	1.3
477.22537	0.8
478.23630	0.7
479.24252	1.5
491.24765	0.9
492.25562	3.0
493.25882	1.7
504.22668	0.6
505.22147	1.4
507.24051	8.1
515.37683	0.6
533.25262	5.0
534.26569	1.1
535.23499	2.2
537.24854	3.0
551.26172	0.5
565.28125	13.9
567.25824	2.3
593.27533	5.6
594.28210	0.7
595.25989	1.6
607.43585	5.5
625.30219	100.0
625.44495	8.6
626.30988	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	625.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01880	0.5
55.05514	2.8
57.02642	0.4
57.03444	0.7
65.03931	0.4
67.05509	6.3
69.03430	0.7
69.07061	1.6
71.55309	0.5
79.05501	4.4
81.03407	2.1
81.07065	5.2
83.04957	1.1
83.08608	1.0
91.05492	4.3
93.07057	3.2
95.04991	1.5
95.08620	3.3
97.10161	1.0
98.98457	0.8
105.07043	3.6
107.04982	0.9
107.08588	2.4
109.06535	0.9
109.10167	1.9
115.05471	0.4
117.06996	2.0
119.08579	2.4
121.10165	1.8
123.08116	0.5
125.09630	0.7
129.07007	1.0
131.08571	3.1
133.06517	0.5
133.10159	1.5
135.11662	1.0
143.08580	1.3
145.10066	2.1
147.08099	0.7
147.11731	0.9
149.09695	0.6
155.08568	0.9
155.68507	0.4
156.09344	0.7
157.10144	1.8
159.11693	1.2
161.09663	1.2
163.11191	0.6
165.12799	0.5
170.46762	0.5
171.11748	1.1
173.13316	0.8
175.11194	0.6
181.10233	0.7
183.11694	0.5
185.13312	1.2
193.12209	0.5
261.22345	0.6
263.39029	0.5
273.18564	1.3
275.20084	0.5
291.19571	1.2
335.25943	0.8
377.17758	0.8
379.19565	0.7
391.19205	1.3
392.19876	1.0
393.20709	1.5
403.19040	0.5
404.20782	0.7
405.16425	2.9
405.21277	1.2
406.17377	0.6
407.18259	0.6
407.22537	5.0
419.18091	3.0
420.19153	2.6
421.20001	3.0
423.21719	0.8
431.18594	1.0
432.23300	0.5
433.19968	4.0
434.20895	2.8
435.21930	7.0
437.23297	0.7
445.20111	1.0
446.21210	0.5
447.21866	1.6
448.22461	0.5
449.19507	3.0
451.25104	1.2
459.21933	0.7
460.22479	0.7
461.23532	1.7
463.21121	2.9
464.22083	0.9
465.23154	1.9
467.24612	0.5
477.22894	1.8
478.23578	4.7
479.24796	3.9
491.24402	1.8
505.26456	0.7
519.23993	0.7
521.25562	9.3
523.23206	1.2
527.37280	6.8
535.22906	0.5
537.25159	1.0
547.27100	1.2
565.28125	21.1
566.28552	0.6
581.27435	2.9
593.27289	0.8
597.31000	0.6
607.28534	0.8
607.43860	1.3
625.30225	100.0
626.30457	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01870	5.1
55.05514	60.3
57.07095	1.7
59.59971	1.9
67.05515	9.3
69.03438	9.7
69.07076	6.1
70.06590	3.0
70.14522	4.4
71.04984	1.7
79.05499	14.6
81.03421	5.1
81.07064	12.8
82.02943	1.8
83.04987	100.0
83.08636	1.6
84.05296	3.3
85.02903	4.9
85.06567	2.2
91.05486	17.0
93.07053	11.3
95.04977	6.4
95.08613	13.4
96.11993	1.6
97.02868	3.8
97.06545	3.5
97.10188	1.9
98.06052	2.5
99.04413	2.0
103.05437	4.0
105.03370	3.0
105.07040	29.5
107.04958	5.7
107.08612	12.4
109.02905	3.0
109.06530	7.3
109.10156	6.6
115.05460	6.7
116.06216	2.6
117.07034	12.1
119.08590	24.4
120.08930	1.9
121.06497	4.9
121.10153	9.4
123.04433	2.3
123.08030	2.0
123.11687	2.1
125.05960	2.0
126.05516	13.5
127.03907	1.9
127.05844	2.2
128.06212	5.6
129.07007	7.4
130.69341	1.7
131.04889	3.5
131.08568	10.7
132.08873	2.6
133.06528	12.0
133.10153	15.2
135.08064	7.4
135.11647	3.2
141.07028	3.9
142.07799	5.4
143.08560	13.0
145.06529	13.7
145.10115	16.9
147.08058	16.1
147.11653	4.2
149.09624	6.4
153.07106	2.3
153.09222	2.0
155.08562	10.7
156.09334	12.7
157.06557	2.4
157.10144	21.5
158.07317	2.3
159.08041	13.9
159.11700	8.7
161.06000	16.3
161.09605	12.5
163.07584	8.4
163.11140	3.3
165.07025	2.6
165.09100	2.6
166.07761	1.9
167.08591	3.4
167.10628	2.5
168.09348	3.2
169.10153	13.6
170.10902	5.8
171.08051	5.6
171.11691	32.8
173.06000	7.4
173.09642	12.4
173.13232	4.2
175.07590	6.9
175.11192	4.8
177.09145	4.0
179.08556	4.9
179.10712	3.8
181.06430	3.2
181.10118	8.1
182.70844	1.8
183.08095	6.5
183.11668	22.1
184.08746	5.0
184.12071	1.9
185.09671	8.0
185.13271	15.2
187.07530	1.9
187.11197	7.9
187.14781	2.2
189.05510	6.4
189.09140	5.5
191.10767	2.3
193.10155	6.7
194.10895	2.5
195.11674	9.2
197.09593	5.6
197.13258	9.0
198.10294	3.8
199.11156	19.6
201.09091	3.5
201.12732	5.3
203.08649	2.2
205.10184	4.3
207.11826	6.0
209.09671	4.5
209.13385	3.0
210.10223	2.2
211.11205	9.4
213.09087	3.3
213.12756	21.5
214.13023	2.8
215.10686	4.9
215.14241	3.3
216.09431	2.1
217.08418	2.4
217.10284	4.2
217.12247	4.1
218.10892	2.7
219.11716	4.7
220.12460	2.3
221.09622	2.6
221.13338	5.7
223.11200	4.7
223.14853	2.4
225.12793	6.0
227.10649	2.9
229.10310	2.4
229.12323	5.1
230.11060	3.0
231.11749	4.4
231.13855	10.8
232.12265	2.9
233.13292	4.9
235.11131	4.0
237.09065	2.1
237.12822	2.8
239.10805	2.4
241.12302	4.0
242.10825	2.4
243.11734	3.8
243.13933	3.1
244.12402	2.7
245.13257	5.7
245.15453	5.2
246.14030	2.9
247.11201	4.4
247.14888	4.1
248.15620	2.6
249.12648	3.4
251.14410	3.4
255.11659	3.3
256.12576	2.9
258.13980	3.4
259.15057	3.9
260.15631	3.8
261.12677	3.0
262.13553	2.2
268.12637	2.2
269.13150	4.8
270.14093	3.8
273.12411	2.2
273.14966	2.9
274.13043	2.2
275.14279	2.0
275.17996	2.3
283.14661	2.2
284.11966	2.3
285.12851	3.5
285.16382	4.4
286.13489	2.2
286.16690	2.5
287.14294	5.7
288.15033	2.3
289.15918	3.2
290.16690	2.5
297.12799	3.1
298.13525	3.2
300.14981	3.4
301.15866	5.0
303.13840	3.0
303.17319	4.1
311.14359	2.1
313.15796	3.0
315.13754	2.1
315.17450	3.2
316.14429	2.4
317.19012	2.6
320.17746	2.1
323.26105	2.8
325.15829	2.3
327.13696	2.3
327.17349	3.0
329.15427	3.1
329.18985	2.3
331.16928	6.7
343.16852	5.3
345.14590	2.5
345.18524	4.2
347.16452	3.1
355.16711	3.3
357.18481	6.4
359.19736	9.1
361.17999	3.9
369.18335	5.6
373.17981	6.9
375.19522	7.7
377.21075	6.5
385.17798	6.0
387.19559	12.7
391.18768	3.2
393.20712	3.4
403.19122	17.5
405.20618	12.9
421.20142	19.4
431.27820	2.2
439.21115	8.0
446.23376	2.7
447.23007	7.0
453.18399	3.3
465.23294	6.3
467.30029	6.3
507.24573	4.0
525.26245	11.4
543.27484	4.2
607.29230	6.3
625.32196	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70552	3.3
53.03950	5.9
55.01869	22.8
55.05515	24.9
59.05008	3.0
63.76194	3.2
67.05507	26.1
69.03433	53.9
69.07059	11.4
71.04992	3.3
71.55416	3.6
71.55793	4.0
73.94300	2.7
79.05505	21.5
81.03428	19.1
81.07076	18.5
83.04987	33.4
83.08601	4.5
91.05486	47.8
93.07057	19.6
95.04962	14.1
95.08614	12.6
97.06512	3.5
103.05449	9.2
105.07045	34.0
107.04952	7.3
107.08580	14.3
109.06516	7.6
109.10153	9.4
110.18696	3.6
113.21448	3.3
115.05451	22.2
116.06222	5.6
117.07025	35.0
119.04910	4.1
119.08587	43.4
121.06533	7.6
121.10142	8.0
128.06216	13.0
129.07004	31.0
131.04935	8.4
131.08571	28.8
133.06494	9.5
133.10135	34.9
135.08058	5.9
135.11612	3.7
137.09666	7.3
141.07019	9.4
142.07779	16.2
143.08568	31.0
145.06505	29.7
145.10143	40.6
146.07257	4.2
147.08061	96.6
147.11693	6.9
149.09630	13.3
154.07799	4.6
155.06033	4.6
155.08572	18.8
156.09367	26.6
157.06549	6.0
157.10130	53.7
158.07249	5.3
159.08069	64.4
159.11685	9.7
161.09637	59.9
163.07530	10.5
163.11163	4.4
165.07014	7.8
166.07803	3.6
167.08646	8.3
168.09390	4.1
169.10097	25.3
170.10884	12.5
171.08052	21.3
171.11697	83.7
172.08844	3.8
173.05968	6.0
173.09621	37.5
173.13239	6.6
175.07552	25.7
175.11201	7.4
177.81836	3.7
179.08543	8.8
180.09416	6.0
181.10146	12.9
182.10968	5.7
183.08061	6.9
183.11700	42.9
184.08917	7.3
185.09616	28.3
185.13278	52.3
187.07532	5.2
187.11220	15.5
187.14873	4.1
189.09145	4.9
193.10141	11.7
195.07976	4.9
195.11690	19.1
196.08994	3.9
197.09592	14.2
197.13306	14.1
198.10419	6.9
199.07529	3.9
199.11188	37.7
200.12029	4.2
201.09044	4.2
201.12721	3.9
205.12221	5.0
206.10976	5.1
207.11690	9.0
209.09645	8.0
209.13266	9.3
211.11198	11.8
213.09106	9.2
213.12726	60.5
215.10667	15.0
217.10106	6.7
217.12085	4.1
218.10976	3.7
219.11665	4.1
220.12715	3.6
221.09616	4.7
221.13361	7.0
222.10463	3.9
223.11250	12.5
223.14806	5.2
225.09146	5.6
225.12662	5.6
229.12198	9.0
231.10112	10.1
231.13670	15.8
233.09718	3.7
233.13399	6.6
235.11263	4.9
235.14828	5.9
237.12590	5.5
241.12212	11.8
243.11864	5.4
243.13889	12.1
245.09482	4.9
245.13322	4.5
245.15390	46.4
249.12779	5.8
251.14279	5.0
253.12329	5.2
254.11067	4.0
255.11497	7.6
255.13884	8.2
256.12589	4.8
257.13419	6.1
258.10437	5.7
259.10941	5.0
259.13351	14.8
261.12756	9.6
267.11676	5.0
269.13220	8.6
270.10376	4.0
271.11096	6.0
271.14621	5.4
272.11993	5.2
273.12378	4.3
273.14923	32.0
275.14206	7.8
277.15921	5.6
282.10364	5.4
283.11176	4.7
283.14877	6.5
284.15512	4.2
285.12738	6.5
285.16241	3.9
286.13492	5.6
287.14304	13.7
288.14975	3.8
289.12112	4.7
296.12146	7.0
297.12744	14.5
298.13495	6.9
299.14420	9.9
300.15097	6.5
301.15829	10.0
303.14005	5.2
303.17386	8.0
311.14291	12.6
312.15079	9.3
313.12338	5.8
313.15787	7.3
314.12997	6.7
314.16394	4.6
315.17401	8.9
317.15393	5.7
317.19000	12.6
325.15710	4.3
326.16888	9.4
327.13797	6.7
327.17404	23.2
328.14645	4.8
329.15253	12.5
329.18942	7.5
341.19043	19.5
343.17056	5.8
345.18481	11.7
346.18872	4.3
357.18448	15.2
359.20309	20.0
361.17856	4.5
369.18503	28.6
372.17075	4.9
375.19519	5.4
377.21060	8.3
387.19571	39.1
389.21066	15.4
391.22787	10.1
401.21155	37.1
405.20474	11.8
419.22263	47.5
437.23300	9.6
445.29691	8.9
447.21774	6.5
455.21820	4.7
461.23541	6.6
464.21985	4.9
465.22968	7.3
479.24329	20.5
487.24640	5.1
525.24805	4.2
536.96228	3.6
539.26239	9.5
565.29480	5.5
593.26910	5.6
607.28516	12.8
625.31421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82354	2.2
53.03948	4.9
55.01863	7.0
55.05269	3.2
55.05515	56.8
59.91380	2.2
67.05505	5.5
69.03446	4.1
74.00024	2.1
79.05492	7.3
81.03406	8.3
83.04987	100.0
91.05485	21.6
93.07037	7.8
95.04958	7.5
95.08587	3.7
97.06585	2.7
98.21529	5.7
102.91879	2.2
103.05486	3.5
105.06406	2.3
105.07042	15.6
107.04917	5.6
107.08594	6.3
109.06503	4.6
115.05428	7.0
117.07030	16.7
119.08571	22.3
119.43597	2.4
121.06491	3.1
121.10130	3.3
128.06204	6.6
129.07031	14.9
131.04909	5.6
131.08591	15.1
133.06467	5.7
133.10168	14.9
141.06952	3.2
142.07750	7.1
142.48885	2.2
143.08589	15.9
145.06476	13.7
145.10135	10.0
147.06912	4.3
147.08058	54.0
149.09612	2.8
155.08562	7.9
156.09351	11.5
157.10158	18.7
159.08043	24.5
159.11682	5.4
161.05989	3.2
161.09633	28.0
163.07550	8.5
165.06999	3.4
167.08600	4.0
169.10107	10.3
170.10953	6.9
171.08089	7.9
171.11678	31.5
172.08791	2.9
173.06006	4.7
173.09593	15.0
175.07536	17.6
175.11223	2.6
177.09109	3.0
180.09300	2.8
181.10115	5.2
183.08040	2.7
183.11700	16.6
184.08818	2.3
185.09676	11.1
185.13223	19.8
187.07603	3.0
187.11165	5.6
189.09036	3.4
191.10719	2.8
193.10178	5.3
195.11655	7.2
197.09631	9.6
197.13223	5.7
199.11157	16.8
200.11996	4.9
201.09093	4.3
201.12801	3.9
203.10759	3.8
206.10931	3.0
207.11807	5.8
209.09627	2.7
209.13185	2.9
211.11238	6.6
213.09122	3.4
213.12753	22.2
215.10677	4.7
217.08568	6.0
217.12190	4.7
218.10789	3.1
220.12538	2.7
221.13339	4.2
223.11165	3.0
227.10640	4.3
229.12221	5.7
231.13788	19.7
233.13216	3.6
237.12883	3.0
239.85942	2.4
241.12262	8.0
243.13922	2.9
244.12447	3.7
245.11740	7.0
247.11183	2.9
249.12790	3.6
257.13388	5.4
258.14066	2.9
259.13260	19.9
260.11917	3.7
261.12839	4.7
268.12387	2.6
269.13046	3.1
270.13968	2.3
271.11072	4.1
273.16382	2.6
274.13455	2.7
275.14276	2.6
277.15875	2.4
283.14594	3.9
284.11761	2.9
285.12662	4.3
286.13614	3.5
287.14246	5.8
289.15805	3.4
297.12793	3.1
298.13510	3.9
299.14316	6.1
300.14725	3.2
301.15970	4.5
311.14246	2.7
312.15219	5.5
313.15662	4.8
315.17529	4.2
317.18790	5.6
327.17294	7.1
329.15375	5.4
329.18967	4.4
341.18942	4.5
345.18079	4.6
357.18448	18.2
359.20044	10.0
369.18634	15.0
375.19507	11.6
377.21036	10.3
387.19604	45.3
405.20605	39.0
423.21863	5.6
447.21555	7.7
465.22754	19.1
525.24969	12.0
607.28827	12.2
625.29633	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.5
53.04640	2.7
55.01881	21.6
55.05516	18.7
65.22330	2.8
67.05522	15.5
69.03435	49.9
69.07069	10.7
73.69179	3.3
79.05497	23.3
79.23325	3.1
81.03441	16.9
81.07066	14.0
83.04994	24.5
89.63256	3.0
91.05491	55.9
93.07050	19.7
95.04988	15.7
95.08611	13.2
97.06514	3.9
99.50885	3.0
105.07048	37.8
107.04953	10.0
107.08620	18.9
109.06513	8.6
109.10163	6.1
115.05442	14.5
116.06252	5.7
117.07038	31.9
119.08594	52.0
121.06496	8.7
121.10136	10.0
128.06248	15.8
129.07031	33.8
130.07768	7.3
131.04948	4.1
131.08574	40.6
133.06442	4.6
133.10135	44.3
135.08046	12.3
141.07028	13.2
142.07785	19.1
143.08582	36.4
145.06497	32.2
145.10139	38.9
147.08066	100.0
147.11711	8.1
149.09612	11.4
153.07013	8.8
154.07813	3.7
155.08527	17.8
156.09366	19.1
157.06540	5.9
157.10135	58.0
158.07294	4.7
159.06833	5.3
159.08073	64.7
159.11720	14.5
161.05902	3.8
161.09634	66.6
163.07567	12.5
163.11220	8.2
165.07042	5.2
167.08548	9.5
168.09340	5.7
169.10164	28.2
170.10927	16.2
171.08022	14.8
171.10255	5.7
171.11711	94.2
172.08856	3.2
173.06027	6.8
173.09624	39.4
173.13254	5.5
175.07536	21.6
175.11223	4.6
179.08521	4.2
180.09357	6.3
181.10123	14.3
182.10927	4.0
183.08061	7.0
183.11699	44.6
184.08888	4.7
185.09692	28.9
185.13277	66.8
187.07565	6.0
187.11142	17.2
189.09213	4.5
189.12697	5.0
193.10132	9.1
193.12187	3.5
195.08099	4.1
195.11745	20.2
196.08795	4.2
197.09619	19.6
197.13315	17.2
197.14764	3.1
198.10416	7.3
199.11189	40.0
200.11975	5.0
201.09134	7.1
201.12790	5.2
203.08630	5.1
203.10408	3.5
205.12169	5.1
206.10924	5.0
207.11729	12.3
209.09612	8.2
209.13307	6.2
211.11211	12.4
213.09215	6.5
213.12752	61.0
215.08772	3.5
215.10675	13.5
217.10196	5.6
217.12291	7.9
218.10941	3.3
219.11726	7.6
220.12445	5.8
221.09715	4.3
221.13396	6.6
223.11223	9.7
223.14806	7.1
225.12709	6.1
227.10652	5.9
229.10120	7.5
229.12210	7.1
230.10901	3.9
231.10030	6.4
231.13815	10.4
233.09685	5.4
233.13345	5.6
235.11169	4.5
235.14850	3.9
237.12660	8.2
239.10753	4.5
241.12308	14.4
242.10855	4.2
243.09969	9.0
243.13882	11.2
244.12553	7.8
245.13277	6.8
245.15419	53.2
247.11235	7.4
247.14946	5.7
249.12659	6.0
251.14459	3.4
255.11514	6.0
255.13805	10.4
256.12393	3.3
257.13245	9.2
258.14035	6.7
259.10980	6.1
259.13382	10.3
261.12839	9.1
263.14255	6.4
269.13214	5.8
271.11066	7.9
271.14655	4.5
272.12024	6.0
273.14911	43.1
275.14273	10.1
276.14844	3.1
281.15405	3.4
282.14182	5.0
283.11130	4.1
283.14590	7.4
284.12140	4.4
284.15512	5.2
285.12714	7.9
286.13345	4.1
287.14249	12.3
289.16037	4.7
296.12079	4.2
297.12701	7.0
299.14352	8.5
300.15082	6.8
301.12650	4.1
301.15955	14.3
302.16693	6.2
303.13852	5.8
303.17261	6.1
311.14160	7.8
312.15152	8.8
313.12503	3.3
313.15881	9.6
314.13177	3.7
315.13986	4.8
315.17450	16.5
317.15506	5.8
317.19037	11.9
325.12018	4.4
325.16010	4.4
326.16611	6.3
327.13925	6.3
327.17395	23.5
329.15268	11.3
329.18808	7.1
331.16776	4.2
339.13931	5.0
341.19073	15.1
342.16180	5.8
345.18588	22.4
353.24438	4.2
354.16296	5.0
357.18436	16.5
359.20203	20.4
361.17758	6.7
369.18597	25.2
371.25119	3.5
377.21017	7.5
387.19644	36.4
389.21320	21.2
389.26288	5.0
391.22855	15.4
401.21216	33.6
405.20554	9.0
407.22073	11.0
419.22241	47.8
425.23935	3.3
437.23242	6.4
445.29715	20.7
449.19556	3.3
455.22379	3.0
461.22986	4.3
464.21732	3.7
479.24518	17.4
487.24539	3.8
527.37201	5.7
533.24951	3.4
539.26428	8.0
565.24365	5.8
593.24359	6.0
607.28900	16.6
625.25311	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01863	1.6
55.05513	55.9
57.22880	1.7
67.05488	3.0
69.07065	1.9
72.84183	1.4
78.76002	1.3
79.05484	5.7
81.07050	1.6
82.08237	1.6
83.04982	100.0
83.79182	1.5
91.05477	11.0
93.07030	2.3
95.04934	3.2
95.08598	2.2
96.06575	1.4
98.21489	4.2
101.79247	1.4
103.05444	5.2
105.07032	22.4
107.04961	2.1
107.08611	1.5
115.05444	3.8
117.07008	7.3
119.07767	1.9
119.08561	12.8
121.06492	2.5
121.10146	3.1
128.06236	7.5
129.07008	4.6
131.04913	4.7
131.08603	8.0
133.06490	16.7
133.10144	9.9
135.08009	1.7
141.06915	3.7
142.07823	2.3
143.08568	14.1
145.06506	14.1
145.10123	7.8
147.08044	14.2
149.05969	3.4
149.09695	1.8
153.06987	1.9
155.08540	6.0
156.09328	4.9
157.10132	16.3
159.08017	6.2
159.11703	2.4
160.63567	1.4
161.05956	11.2
161.09592	7.7
163.11223	2.4
165.06969	1.6
168.09322	2.0
169.10107	9.2
170.10919	3.3
171.08060	6.6
171.11696	22.1
173.09641	8.2
173.13211	1.6
175.07497	1.9
179.08659	1.9
181.10132	4.0
183.08066	1.9
183.11725	15.6
185.09625	5.0
185.13237	18.9
186.10384	1.7
187.11124	4.1
192.09383	2.3
193.10133	4.5
194.10881	1.9
195.11707	5.3
197.09589	3.5
197.13275	5.8
199.11168	4.6
201.09081	3.9
201.12767	2.4
205.10185	3.1
205.12199	2.7
207.11644	3.7
209.09488	2.3
209.13164	2.9
211.11162	5.8
213.09027	2.4
213.12743	16.7
215.10648	3.6
217.12206	2.6
218.10857	1.7
219.11656	2.8
221.13202	3.2
225.12704	2.8
228.09288	2.7
229.10059	2.5
229.12125	2.0
230.10905	2.4
231.11797	3.2
231.13733	2.3
233.13243	4.7
235.11182	2.9
241.12309	3.7
243.11769	3.3
243.13838	3.7
244.12471	3.0
245.11526	4.1
245.13387	2.2
245.15344	18.3
247.15059	2.0
249.12677	1.8
255.11653	6.9
255.13954	1.7
256.12646	2.4
257.13351	3.5
258.14008	4.3
259.14896	4.4
261.12671	2.7
261.16437	2.9
269.13254	4.4
270.14023	4.0
271.11060	2.7
271.14648	1.7
272.11859	2.0
273.12369	2.3
273.14709	10.0
275.17816	3.1
283.11014	2.9
283.14795	2.5
285.12933	3.2
285.16327	8.4
286.13571	2.2
286.16882	1.6
287.14401	3.5
287.17917	3.1
288.14932	1.9
297.12769	2.6
297.16028	2.1
298.13400	2.2
299.17819	4.1
301.15872	5.4
303.14035	2.2
303.17334	7.0
312.14886	2.8
313.15814	6.7
315.17441	5.6
317.18915	4.9
327.17368	9.3
331.16891	3.3
345.18509	9.3
347.20334	2.1
349.21585	2.5
355.16751	4.2
359.20270	7.0
363.19565	2.7
373.17917	7.4
375.19431	6.7
377.21039	12.0
387.19574	13.6
391.18854	3.0
405.20615	18.3
423.21365	5.2
437.23257	3.1
459.24905	1.9
465.22302	7.4
525.24707	5.4
543.25897	3.1
547.26526	1.9
593.27319	2.9
607.28949	2.5
625.29987	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	625.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76805	0.8
53.03941	2.6
55.01871	3.3
55.05517	50.5
56.03554	1.1
57.36004	0.9
58.64157	0.9
67.05502	4.9
69.03444	2.3
69.07068	1.6
78.04250	1.0
79.05488	5.0
81.03414	3.3
81.07053	2.3
83.04989	100.0
85.02911	1.4
91.05494	7.7
93.07047	3.9
95.04960	3.5
95.08643	2.3
95.19086	1.1
98.21537	1.6
99.23706	1.1
103.05482	1.9
105.07029	6.6
107.04943	2.0
107.08594	2.7
109.10164	2.9
115.05464	4.4
115.10832	1.0
117.07020	8.1
118.07610	0.9
119.08591	8.7
121.06519	1.4
121.10158	5.1
123.08069	0.9
125.09675	1.2
128.06256	2.2
129.07018	4.0
131.04874	1.6
131.08592	4.8
133.06564	1.6
133.10158	12.6
135.08072	3.5
141.06958	1.7
142.07787	3.4
143.08553	3.5
145.06439	6.4
145.10107	4.8
147.08064	20.4
147.11673	4.6
149.09622	3.5
154.07773	1.8
155.08521	1.8
156.09349	3.4
157.06458	1.0
157.10150	6.8
158.07234	1.3
159.08066	6.6
159.11728	3.9
161.09590	7.7
163.07556	4.0
169.10143	3.7
170.10947	2.0
171.08060	4.6
171.11652	7.2
173.06009	2.9
173.09607	9.8
173.13266	2.0
175.07588	3.9
175.11183	4.4
177.09032	1.1
179.08647	1.2
180.37500	1.0
181.10100	1.2
183.08055	1.4
183.11687	4.3
185.09727	5.3
185.11845	0.9
185.13263	5.9
187.07576	1.3
187.11188	4.0
189.09135	1.7
189.12770	2.0
191.10646	1.9
193.10168	1.7
193.12280	4.0
195.11694	3.6
196.12396	1.4
197.09680	2.9
197.13266	1.8
199.11212	3.3
200.11926	1.3
201.12738	2.0
203.10666	1.7
205.12241	1.3
206.10950	1.1
207.11603	2.1
209.09529	1.2
211.07494	1.6
211.11276	1.3
213.09149	3.1
213.12772	5.9
217.10313	1.2
217.12215	1.9
219.11693	1.3
220.12497	1.3
223.11229	1.7
223.14871	1.0
225.08960	1.0
225.12677	2.1
229.08528	1.3
229.12202	2.3
230.10974	1.3
231.11810	1.4
231.13875	3.4
233.13405	1.3
235.11180	1.4
235.14851	1.4
237.12759	1.4
239.10712	1.4
241.12166	1.5
244.12383	1.6
245.11691	1.8
247.11162	1.7
249.12697	1.1
249.14908	1.2
255.34483	1.0
258.13922	1.3
259.10956	1.6
259.13342	3.5
261.12628	1.4
273.12836	1.2
275.14377	1.8
277.14261	1.2
283.11398	1.6
283.14816	1.8
285.12778	1.2
287.14258	1.9
289.15750	1.6
291.17453	1.8
296.11948	1.4
297.12866	2.3
297.16174	1.7
299.14334	1.5
301.15942	2.5
303.14005	1.6
303.17404	1.9
311.14175	2.3
312.15073	2.3
312.75381	1.2
313.15790	2.9
315.17627	1.5
317.19067	1.8
326.16516	1.2
327.17426	4.1
329.15195	1.6
331.20560	1.3
341.19211	5.3
343.16794	1.2
345.18622	4.2
352.01755	1.0
354.16110	1.4
359.20187	8.9
369.18521	4.3
377.21097	9.8
387.15103	1.8
387.19601	22.0
388.19720	1.6
401.21057	1.6
405.20633	22.5
423.21765	4.6
441.23853	1.2
447.21567	3.6
465.22894	4.6
483.23740	3.7
525.25018	2.0
527.36993	1.2
607.27521	4.4
625.27155	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	625.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83686	4.5
55.01881	25.2
67.05487	5.1
69.03426	61.0
69.21382	4.4
69.21604	19.9
69.22025	22.3
79.05502	15.2
81.03418	19.2
81.07041	9.3
83.79386	4.2
91.05479	35.2
93.07045	10.7
95.04964	13.7
97.06576	4.8
105.07040	24.8
107.04940	7.4
107.08606	4.8
115.05447	15.9
117.07031	30.0
119.08557	37.1
121.06510	6.9
128.06227	12.8
129.07027	28.2
130.07758	6.7
131.08589	26.1
133.06415	4.8
133.10173	23.1
135.07990	4.4
141.07010	6.4
142.07802	17.9
143.08569	31.2
145.06520	29.0
145.10143	28.5
147.08058	100.0
149.09547	5.7
153.06985	6.0
155.08559	11.6
156.09343	18.6
157.01883	4.9
157.10129	54.3
159.08060	66.7
159.09279	7.7
161.09647	72.9
163.07571	9.4
163.11201	6.7
165.06987	5.9
167.08548	7.3
169.10197	23.3
170.10913	15.2
171.08072	19.3
171.11720	85.3
173.09637	43.1
175.07535	24.1
175.11192	4.9
179.08482	6.4
181.10109	10.4
183.08165	5.2
183.11656	35.7
184.08870	4.9
185.09624	29.7
185.13223	51.9
187.07443	6.7
187.11177	15.9
193.10059	6.2
195.11713	13.1
197.09604	15.2
197.13278	13.2
199.07492	4.6
199.11208	33.3
201.09096	5.3
207.11708	11.8
211.11215	12.4
213.09146	7.4
213.12744	69.7
215.10776	13.0
217.12175	4.9
221.13278	6.5
223.11125	10.7
223.14700	6.5
225.12837	6.1
229.12256	5.3
231.10097	9.8
231.13864	13.1
235.11206	5.3
237.12820	5.4
239.10594	8.8
241.12209	10.4
242.10835	4.7
243.09952	11.2
243.13850	13.0
245.09454	5.0
245.13289	5.9
245.15388	47.5
247.11131	6.6
247.14876	5.1
249.12711	10.9
254.10728	5.6
255.13861	12.2
257.09567	5.7
257.13168	7.9
259.13351	8.0
261.12793	8.6
263.14117	5.0
269.13177	6.5
272.12054	5.8
273.14987	41.5
274.13647	6.2
275.14383	7.2
283.11026	6.8
285.12582	4.8
287.14398	9.2
289.15976	5.4
297.12677	11.5
298.13580	5.7
299.14243	7.5
300.14844	5.6
301.16043	13.0
303.17578	5.6
311.14432	6.9
312.15125	12.0
313.15881	6.1
315.13858	6.4
315.17456	9.0
317.15503	6.0
317.19028	15.8
326.16733	8.5
327.14005	8.1
327.17416	30.6
328.17850	5.3
329.15460	10.7
329.19040	8.9
341.19009	21.5
345.18387	15.0
357.18439	16.1
359.20016	15.2
361.17874	6.5
369.18384	33.5
387.19476	41.3
389.21124	12.8
391.22513	14.6
401.21146	37.6
405.20721	9.2
419.22156	57.7
437.22989	8.7
461.23477	7.0
479.24356	21.8
539.26221	14.8
593.27020	6.0
607.29083	13.3
625.30170	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	625.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.01876	9.8
55.05513	64.8
67.05509	2.9
69.03441	2.8
72.50296	2.7
79.05491	4.5
81.03428	7.7
81.07062	3.4
83.04985	100.0
90.38438	2.4
91.05476	27.7
93.07059	5.7
95.04984	7.8
95.08620	3.9
103.05440	3.2
105.07019	15.3
107.04945	3.9
107.08604	4.6
109.06548	2.5
115.05464	10.6
117.07011	18.1
119.08598	21.2
119.59342	2.7
121.10255	2.6
128.06239	6.5
129.07040	12.8
129.24059	2.5
131.08562	15.3
133.10132	16.2
141.06981	6.3
142.07773	7.8
143.08585	17.3
145.06494	19.4
145.10097	12.9
147.08063	48.2
147.09212	2.7
149.05965	2.4
149.09660	3.7
155.08574	8.4
156.09311	11.9
157.10146	23.3
158.07274	5.2
158.90314	2.9
159.08057	24.9
159.11755	5.5
161.09616	35.1
163.07623	4.2
166.07744	2.6
169.10153	7.9
170.10944	7.5
171.08057	10.2
171.11690	36.1
173.06013	5.8
173.09566	18.6
175.07568	11.8
178.07704	3.4
179.07030	2.6
179.08632	3.1
180.09320	2.9
181.10121	3.8
183.08089	2.9
183.11699	15.2
184.08833	3.4
185.09662	14.3
185.13240	17.9
187.11305	7.1
189.09154	4.0
193.10040	3.1
195.11726	6.6
197.09656	8.2
197.13214	4.5
198.10391	2.8
199.11150	17.0
200.11961	4.5
201.09169	4.2
201.12874	2.8
204.09581	2.4
207.11708	5.6
209.09601	3.0
209.13214	3.0
211.11182	4.7
213.12744	21.0
215.10783	5.0
217.08542	3.5
217.12247	5.2
221.13264	4.3
223.11198	5.3
229.12260	9.1
231.13800	20.3
233.13278	3.1
235.11130	2.9
237.12727	2.9
241.12238	8.5
243.11719	4.2
245.11778	8.7
246.10396	2.7
259.10910	4.9
259.13181	25.7
261.12848	3.9
269.13254	5.6
270.13892	3.2
271.10980	3.1
272.12189	3.7
273.12729	3.9
284.12106	3.0
284.15433	3.7
285.12741	3.8
285.16306	2.5
287.14389	3.1
297.12622	5.3
301.15753	2.5
302.16528	2.7
303.17297	3.7
311.14279	4.1
312.15134	3.4
313.15836	5.8
315.14084	2.6
315.17459	3.2
317.18649	3.8
319.16208	2.6
327.17319	7.1
328.18344	4.2
329.15311	9.7
329.18887	3.3
340.14627	3.7
341.18436	3.8
345.18500	5.5
347.16452	5.8
357.18451	6.3
359.20010	6.5
369.18637	11.8
375.19513	9.6
377.21088	10.2
387.19519	37.7
405.20572	39.6
423.21729	6.4
447.21747	4.7
465.22964	12.4
525.24866	14.4
563.87695	2.7
607.29004	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	625.3005
Annotation	Taxuspine M
Peak:m/z	Relative Intensity
55.01876	20.8
55.05531	3.0
69.03436	63.3
69.07059	4.7
70.70667	6.5
70.71033	6.6
79.05492	11.4
81.03412	14.0
81.07055	5.6
83.04994	5.5
84.46275	2.9
91.05489	48.2
93.07046	10.7
95.04964	14.6
95.08621	8.4
105.07041	34.1
107.04951	9.9
107.08613	7.4
109.06491	6.4
115.05418	17.6
116.06209	4.7
117.07031	29.9
119.08598	37.8
121.06469	6.2
121.10159	4.6
128.06229	10.0
129.07021	30.1
130.07793	6.7
131.04897	3.7
131.08586	29.8
133.06483	6.3
133.10115	30.9
135.08105	3.8
141.07001	10.4
142.07799	16.5
143.08568	31.1
145.06500	33.9
145.10132	24.0
145.16173	3.5
147.08063	100.0
149.09662	8.9
155.08566	13.3
156.09346	23.6
157.06465	4.0
157.10144	41.0
158.07268	7.8
159.06836	5.5
159.08075	71.2
159.11681	9.6
161.09630	63.7
163.07521	9.3
163.11252	6.7
165.07040	6.3
167.08688	5.3
169.10153	24.7
170.10919	10.9
171.08102	18.0
171.11711	71.8
171.15990	3.3
173.05995	8.9
173.09625	35.6
175.07539	22.6
175.11214	5.3
179.08562	5.6
180.09308	4.4
181.10158	9.5
182.10934	3.8
183.08047	8.3
183.11708	38.8
184.08897	5.6
185.09619	28.0
185.13242	51.5
187.07582	7.2
187.11133	13.7
189.08986	3.5
191.10684	5.0
193.10168	5.9
195.08054	3.2
195.11690	11.7
197.09619	15.2
197.13255	13.1
198.10414	7.8
199.07478	4.6
199.11186	29.9
201.09152	3.6
201.12915	4.7
205.12321	6.6
207.11641	10.1
209.09619	8.7
209.13324	7.6
211.11142	9.9
213.09122	8.9
213.12746	56.1
215.10707	11.5
217.10196	6.9
217.12216	7.7
218.10966	4.9
219.11726	6.7
221.13342	6.4
223.11195	12.0
225.08994	3.7
225.12686	5.0
227.10495	4.1
229.12312	8.1
230.10876	4.3
231.09990	7.8
231.11949	5.2
231.13835	11.0
233.09651	5.2
233.13419	5.7
235.11272	7.3
237.12723	6.7
239.10625	5.1
241.12251	10.0
243.09949	5.9
243.13870	14.6
244.12540	7.0
245.13326	5.1
245.15434	43.1
247.11160	5.5
248.11844	4.0
249.12650	3.5
251.14456	4.3
254.11067	4.0
255.11525	6.9
255.13866	6.2
258.14117	5.9
259.10986	4.5
259.13361	10.7
261.12668	6.1
267.11664	4.7
268.12305	5.6
269.13168	11.0
271.11182	5.9
273.12424	4.6
273.14865	36.9
275.14246	4.8
283.14896	4.5
284.15540	5.1
285.12735	11.1
285.15906	3.6
286.13586	7.0
287.14368	8.5
289.12338	5.8
291.13849	5.1
297.12845	17.6
297.15939	4.7
298.13477	5.7
299.14215	11.3
300.14993	6.7
301.15857	12.2
311.14288	9.5
312.14948	7.7
313.15903	9.4
315.17490	13.8
317.18982	13.8
327.13760	6.8
327.17435	20.1
328.18143	5.8
329.15210	9.5
329.19070	8.7
331.20392	4.1
341.18964	21.1
345.18533	13.7
357.18594	18.8
359.20032	13.9
369.18649	33.9
377.20972	3.7
387.19632	31.6
389.21008	20.5
391.22745	14.4
401.21133	37.3
405.20139	4.7
419.22168	48.7
437.23117	8.2
447.21719	7.1
461.23434	4.6
479.24466	24.4
487.24829	5.1
507.23822	4.3
539.26215	11.9
593.27576	6.2
607.29144	18.5
625.30127	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	625.3007
Annotation	Scortechinone I
Peak:m/z	Relative Intensity
53.03939	2.9
55.01879	10.0
55.05513	57.2
61.38874	2.2
67.05506	4.1
69.03437	3.2
69.07053	2.3
70.01040	6.3
77.15314	2.0
79.05486	5.0
81.03417	7.3
81.07058	4.0
82.59400	2.3
83.04987	100.0
91.05487	18.7
93.07037	6.1
95.04986	8.2
95.08588	2.6
97.82838	2.4
98.21394	2.9
103.05457	2.7
105.07014	11.2
107.04951	4.2
107.08537	3.0
115.05472	8.6
117.07017	16.9
119.04994	2.3
119.08599	18.3
121.06494	4.8
121.10155	3.0
128.06241	5.1
129.06989	15.0
130.07832	3.4
131.08578	14.8
133.06487	3.7
133.10117	13.6
135.08022	5.0
136.20578	2.0
141.07008	5.5
142.07785	6.3
143.08511	12.8
145.06470	13.7
145.10126	11.0
147.08049	52.7
147.11700	2.5
149.09605	3.6
153.07037	2.7
155.06052	2.3
155.08549	5.1
156.09366	10.2
157.10165	15.8
158.07266	2.4
159.08054	26.4
159.11713	3.4
161.09619	29.6
163.07507	3.3
165.06952	2.6
167.08524	2.3
168.09315	2.6
169.10132	9.0
170.10982	4.5
171.08037	8.2
171.11691	30.0
173.05971	5.8
173.09639	16.9
173.13188	3.5
175.07542	11.8
175.11253	2.5
177.09129	2.2
181.10146	4.0
183.08130	3.8
183.11693	12.2
184.08827	2.6
185.09648	12.9
185.13268	16.2
187.11249	3.5
189.09087	3.8
191.10562	2.7
193.10162	2.8
195.11707	5.4
197.09669	6.0
197.13182	2.9
198.10536	3.0
199.11151	12.5
200.11919	4.7
201.09119	5.3
203.10670	2.2
207.11752	6.6
209.13100	2.1
211.11172	6.0
213.12724	20.7
215.08627	2.3
215.10666	4.6
215.52010	1.9
217.08540	3.9
217.12212	2.5
219.11823	2.7
221.09697	2.5
221.13286	5.8
223.11119	4.4
227.10655	2.4
229.10243	2.7
229.12288	8.0
231.13789	23.0
235.11261	2.5
237.12759	2.8
239.10727	2.4
241.12265	8.1
243.11754	3.1
244.12596	3.0
245.11702	4.7
247.11185	2.9
247.14990	2.7
254.11061	3.1
259.11035	3.1
259.13257	16.8
261.12714	3.3
269.13242	3.1
271.11276	3.7
271.14893	3.7
273.12811	4.9
283.14923	3.0
285.12729	4.7
287.14273	5.7
289.12289	3.3
297.12677	2.9
299.14218	2.9
301.15833	2.7
303.17334	2.7
311.14188	4.1
312.14999	3.1
313.15747	4.0
315.17371	2.8
317.19052	3.9
327.17398	7.4
328.18393	2.3
329.15378	4.6
341.19000	5.0
345.18417	5.5
347.16467	3.0
357.18570	4.8
359.20114	7.5
369.18365	5.9
375.19617	8.8
377.21191	10.6
387.19550	30.6
405.20554	34.6
423.21701	7.5
447.21823	6.2
465.22830	14.8
525.24554	12.4
607.28967	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	625.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01890	1.6
55.05515	51.9
61.07783	1.2
67.05505	2.9
73.11672	1.1
79.05476	5.0
81.07077	1.6
83.04986	100.0
91.05479	11.7
93.07036	4.9
95.04961	3.4
95.08615	2.6
98.20649	2.5
103.05484	7.4
105.03354	1.4
105.07040	19.5
107.04971	1.8
107.08566	1.8
110.48874	1.1
115.05432	4.4
117.07014	10.2
119.08584	14.9
121.06490	3.0
121.10077	2.8
128.06194	6.0
129.07005	5.3
131.04942	7.9
131.08572	9.8
133.06499	18.7
133.10132	10.1
135.08051	1.4
141.06990	1.6
142.07767	5.5
143.08580	11.1
145.06500	11.7
145.10176	9.7
147.08044	14.5
149.05948	3.9
153.06947	1.5
154.07961	1.4
155.08531	6.3
156.09355	6.3
157.06458	2.2
157.10115	15.3
159.08058	6.3
159.11679	5.0
161.05991	14.4
161.09610	7.1
163.11131	1.8
165.06972	2.4
166.07724	1.9
167.08553	4.5
169.10106	10.3
170.10898	3.3
171.08064	8.2
171.11699	20.6
173.09642	6.6
173.13251	1.8
175.07501	2.2
179.08545	3.1
181.10088	4.4
182.10919	2.1
183.08083	4.4
183.11690	15.0
184.08911	1.7
185.09641	4.5
185.13255	18.5
187.11177	4.0
189.09094	1.4
191.08469	1.8
192.09370	2.0
193.10139	4.7
195.08020	2.3
195.11696	5.8
197.09637	4.9
197.13234	5.0
198.10393	1.5
199.11139	7.0
201.09091	2.2
201.12778	2.4
203.08720	1.9
203.10606	1.5
205.10202	1.6
205.12180	1.5
206.10909	2.6
207.11687	3.6
209.09537	2.3
209.13289	2.2
211.11130	7.8
213.08963	1.3
213.12772	13.7
215.10703	1.6
216.09268	1.9
217.10149	3.1
217.12070	2.4
218.10843	2.0
219.11729	3.0
220.12451	1.5
221.09644	1.9
221.13339	3.1
223.11147	3.7
223.14532	1.3
225.12730	2.7
227.10588	2.7
229.10127	3.6
229.12288	4.3
230.10884	2.4
231.11736	3.4
231.13821	3.3
232.12518	2.1
233.13277	5.2
235.11240	2.2
235.14922	1.5
239.08534	1.5
239.10780	1.5
241.10091	1.6
241.12270	2.3
242.10892	1.7
243.11702	4.3
243.13875	4.6
244.12582	2.5
245.11517	3.6
245.13412	2.9
245.15393	15.6
246.14081	1.8
247.14851	2.6
249.12801	2.3
255.11664	5.2
255.13974	1.7
256.12433	2.0
257.13196	3.6
258.13977	4.1
259.11099	2.1
259.14880	3.9
260.12189	1.6
260.15424	1.9
261.12686	3.9
261.16376	1.9
265.12189	1.7
267.11719	1.7
268.12534	1.7
269.13193	4.9
270.14063	5.2
271.11172	2.1
271.14822	2.5
272.11966	1.9
273.14822	9.6
274.13376	1.7
275.14261	2.4
275.17813	2.7
283.11273	1.9
284.15540	2.8
285.13037	2.9
285.16348	6.0
286.13559	2.0
287.14285	4.5
287.17715	1.4
288.15100	1.9
289.15701	1.6
297.12677	3.3
299.14389	2.7
299.17880	5.6
301.15833	6.2
303.17343	6.3
313.15787	8.5
315.13876	3.4
315.17432	5.2
317.19031	4.4
327.17548	7.8
331.16904	5.2
333.17130	2.2
343.16971	5.2
345.18549	10.2
347.16412	2.6
349.21884	2.9
355.16922	5.2
357.18494	8.1
359.19986	5.7
363.19537	2.8
369.18369	4.0
373.18066	7.5
375.19556	6.8
377.21066	12.8
387.19604	21.1
391.18805	2.2
393.19626	1.4
405.20676	21.8
423.21506	4.8
437.23392	2.1
447.21594	2.3
451.21222	1.6
465.23029	9.7
525.24976	6.9
543.25671	5.6
593.27655	1.8
607.27838	1.4
625.29810	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	625.301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38603	1.2
53.03939	3.1
55.01879	8.8
55.05516	63.6
61.06160	1.3
65.03933	1.8
67.05515	4.0
69.03423	4.2
69.07062	3.6
69.23017	13.4
77.28636	1.1
78.30775	1.3
79.05500	7.8
81.03423	7.2
81.07055	4.7
83.04988	100.0
90.91460	1.3
91.05484	27.2
93.07042	7.0
95.04990	7.9
95.08614	3.8
95.98801	1.2
97.06522	1.2
98.21526	2.6
103.05495	2.5
105.03389	1.6
105.07035	15.6
107.04962	5.8
107.08612	5.6
109.06537	3.4
109.10166	1.8
115.05450	8.3
117.07040	14.9
119.04950	1.9
119.08593	22.4
121.02849	1.8
121.06521	3.2
121.10138	2.7
128.06232	7.3
129.07027	11.5
130.07784	2.1
131.04906	3.0
131.08582	13.6
132.05684	1.6
133.06480	5.8
133.10146	15.0
135.08063	4.7
140.02142	1.3
141.06999	4.2
142.07774	8.0
142.48598	1.3
143.08577	13.5
144.05698	2.6
145.06491	16.5
145.10135	12.8
147.08057	53.9
147.11739	3.5
149.09592	3.0
153.06927	2.1
155.08571	7.3
156.09349	11.1
157.06519	3.4
157.10139	19.9
158.07304	2.9
159.08063	32.5
159.11703	6.8
161.05992	3.9
161.09645	30.6
163.07539	7.0
163.11256	1.7
165.07005	5.7
165.09077	1.7
166.07870	1.5
167.08531	5.4
168.09384	2.9
169.10144	12.3
170.10942	7.0
171.08110	8.7
171.11694	35.3
173.05991	5.0
173.09639	17.3
173.13181	2.3
175.07594	13.7
175.11220	3.4
179.08609	4.0
180.09293	1.8
181.10167	5.1
182.10858	2.4
183.08051	3.4
183.11699	25.5
184.08824	2.7
185.09636	14.0
185.13264	18.8
187.07535	3.3
187.11200	5.0
189.09111	5.5
191.10687	3.9
192.09273	2.1
193.10172	3.7
194.11008	2.4
195.08035	1.7
195.11723	5.6
196.09029	1.6
197.09644	7.2
197.13295	4.6
198.10445	2.6
199.07637	1.7
199.11176	15.3
200.11972	4.4
201.09138	4.6
201.12704	2.7
203.10646	2.5
206.10895	4.1
207.11714	5.9
209.09680	3.2
209.13290	4.7
211.11238	4.5
213.09161	2.0
213.12759	20.6
215.10698	4.0
215.14258	2.4
217.08620	3.7
217.10466	1.6
217.12253	3.9
218.10873	2.5
219.11684	4.5
220.12415	2.5
221.13287	3.5
223.11154	4.5
225.09065	1.9
225.12825	1.8
227.10611	3.0
229.10222	2.5
229.12260	6.4
231.11757	2.5
231.13794	22.4
232.12526	3.1
233.13271	2.9
234.14038	1.8
235.11284	1.5
235.14769	2.7
237.12747	2.2
239.10674	2.6
241.12202	7.6
243.11765	3.7
243.13933	2.3
244.12402	2.7
245.11723	4.2
245.13576	2.3
246.10396	2.0
246.14023	1.6
247.11163	2.4
247.14890	3.6
248.12094	2.1
249.12715	1.9
255.11722	2.5
256.12701	1.6
257.13385	2.3
258.14154	3.1
259.10974	2.4
259.13257	20.3
260.11917	1.6
261.12820	4.0
263.14423	3.0
265.12262	2.8
266.10876	1.5
267.14160	1.7
269.13470	3.0
270.14087	2.9
271.11206	2.0
271.14862	2.3
272.12064	1.7
273.12714	3.9
273.16357	2.0
274.13525	2.5
275.14337	2.9
277.12207	2.3
279.13947	2.2
283.11087	2.0
284.11960	1.4
284.15475	2.0
285.12756	3.3
285.16040	1.6
287.14340	5.0
287.17786	1.6
289.15979	3.5
291.17441	1.4
294.14084	1.5
297.12756	5.0
297.16003	2.0
298.13467	2.4
299.14423	2.7
300.15039	2.3
301.12692	1.9
301.16025	5.3
303.13803	3.0
303.17325	2.8
309.14990	2.7
311.14279	1.9
312.15036	3.6
313.12439	1.7
313.15784	4.9
314.13092	1.5
314.16547	2.2
315.17468	4.9
317.15573	1.9
317.18997	5.3
327.17496	7.1
328.18250	2.4
329.15390	3.2
329.19016	3.0
331.16971	5.1
341.18939	5.4
345.18417	6.4
347.16437	3.4
357.18576	6.5
359.20016	8.3
361.17990	1.8
363.19418	1.9
367.80338	1.4
369.18488	10.6
375.19547	11.2
377.21158	10.9
387.19583	31.8
389.20828	1.7
397.20193	1.8
405.20642	40.6
423.21765	7.7
425.23230	2.5
447.21570	6.8
465.22769	19.6
487.24603	2.3
507.23914	2.8
525.24701	10.3
547.26776	2.5
565.27692	1.6
607.28882	9.6
625.30432	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	625.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.4
55.01872	4.3
55.05516	54.2
65.03958	1.5
67.05502	7.2
68.51567	1.3
69.03428	7.2
69.07067	4.1
71.05008	1.5
71.55775	2.3
77.03915	1.7
79.05493	9.5
79.05894	1.4
81.03423	2.9
81.07050	6.8
83.04987	100.0
86.69977	1.3
91.05489	22.2
93.07050	12.0
95.04974	5.1
95.08610	4.8
97.06551	3.0
100.98615	1.3
103.05473	7.2
105.03432	2.1
105.07042	23.2
107.04951	2.6
107.08611	9.6
109.06513	3.4
109.10137	4.6
115.05438	8.2
116.06240	2.7
117.07016	14.8
119.04955	2.1
119.08587	32.9
120.08893	1.7
121.06558	3.4
121.10153	5.3
123.04433	2.0
123.08104	1.7
128.06274	7.0
129.07053	8.3
130.07854	1.7
131.04947	8.0
131.08569	14.5
133.06506	10.3
133.10133	18.1
135.08037	8.1
137.09628	1.8
140.64740	1.4
141.06999	5.4
142.07756	7.1
143.04889	2.1
143.08580	13.9
145.06509	11.9
145.10121	11.9
147.08055	17.6
149.06015	3.1
149.09665	6.0
153.06953	3.3
155.08542	8.7
156.09341	11.4
157.06523	3.7
157.10152	21.2
158.10719	1.6
159.08054	12.4
159.11655	6.8
161.06012	8.1
161.09615	15.0
163.07542	9.2
163.11261	2.3
165.07008	6.5
165.09128	1.9
166.07802	2.0
167.08531	5.4
168.09360	4.1
169.06491	1.9
169.10182	13.2
170.10915	7.7
171.08086	8.6
171.11681	22.9
172.08794	2.0
173.06023	4.5
173.09615	7.1
173.13275	3.8
175.07541	8.5
175.11174	2.4
175.12773	1.4
177.09148	4.6
179.08577	4.3
180.09325	1.7
181.10081	7.1
182.10880	4.4
183.08046	5.8
183.11711	24.2
184.08850	4.0
184.12158	2.2
185.09650	9.5
185.13272	19.6
187.07527	6.8
187.11182	3.2
187.14799	1.8
189.05495	5.2
189.09114	4.1
191.07068	1.9
191.08669	2.4
192.09271	2.7
193.10144	6.4
194.10883	1.8
195.08012	1.9
195.11694	8.5
196.08754	2.3
196.12509	1.5
197.09583	7.3
197.13330	13.3
198.10402	3.8
199.07538	1.7
199.11211	21.0
200.11989	3.8
201.09192	4.7
201.12744	5.9
204.09387	2.2
205.08627	3.1
205.10353	2.9
206.10963	2.9
207.11705	9.2
208.08832	1.7
208.12433	2.2
209.09651	3.0
209.13257	4.3
210.10388	1.5
211.11177	7.4
213.09319	2.5
213.12727	24.3
215.10725	3.3
215.14291	3.0
217.10234	3.3
217.12048	2.7
218.10880	3.4
219.11726	4.6
221.09674	3.3
221.13216	6.9
223.11201	6.4
223.14867	1.4
225.09213	3.4
225.12762	6.5
227.10638	4.1
229.10191	3.9
229.12292	4.9
230.10892	4.4
231.11673	4.6
231.13838	3.5
232.12604	2.0
233.09628	4.1
233.13300	6.1
234.10408	1.5
235.11252	2.4
235.14868	3.7
236.11751	1.3
237.12798	3.8
237.16187	1.6
239.10646	3.2
239.14345	1.6
241.10141	2.2
241.12254	4.1
242.10864	1.8
243.11656	5.1
243.13878	2.8
244.12434	4.6
245.13229	5.8
245.15472	3.8
246.10390	1.8
246.14081	1.7
247.11188	2.5
247.15025	2.4
249.12753	5.2
249.16342	2.8
251.14249	2.6
253.08414	2.5
254.11057	1.6
255.11623	4.5
255.13976	2.1
256.12411	2.8
257.13321	6.0
258.14151	3.0
259.11127	3.3
259.14880	5.4
260.11856	2.2
261.12860	3.7
261.16385	1.9
263.14270	4.6
267.11765	2.6
268.12515	2.4
269.13315	7.8
270.10306	1.8
270.13956	4.1
271.11185	1.9
271.14801	7.1
272.11792	2.1
272.15488	2.0
273.12399	3.0
273.14828	6.9
274.13354	1.7
275.14569	2.2
275.17917	2.4
277.12204	2.8
277.15839	3.1
280.12656	2.2
281.13080	2.6
282.13934	2.0
283.11545	2.2
283.14847	4.9
284.15649	3.1
285.12985	3.1
285.16391	4.1
287.14297	3.2
287.18015	3.3
288.15009	2.0
289.12396	2.3
289.15771	2.1
289.18994	1.7
291.13638	1.8
295.14697	1.8
296.15396	2.3
297.09119	1.5
297.12698	2.6
297.16287	1.6
298.13458	1.8
299.10928	2.3
299.14297	5.4
299.17804	2.3
301.15826	3.8
303.14270	2.6
303.17395	4.0
309.16251	2.3
311.14203	1.9
311.17883	1.9
312.14932	1.8
313.12289	3.0
313.15823	4.3
315.13901	3.2
315.17410	2.8
317.15378	3.0
317.18991	1.9
319.16968	3.5
326.16785	1.9
327.13702	3.6
327.17548	5.2
329.15521	8.1
331.13217	2.4
331.16852	3.2
333.18497	2.3
339.13867	2.1
340.14624	2.3
341.18951	2.9
343.16809	6.9
345.14676	4.7
345.18558	8.1
347.16412	7.1
347.19873	3.2
354.15994	2.4
355.16989	4.0
357.14780	1.9
357.18405	9.4
359.16251	1.7
359.20114	10.3
361.17920	3.9
363.19699	2.1
369.18478	14.4
373.17868	6.9
375.19699	10.5
377.21054	5.3
383.16583	1.9
385.17899	4.0
387.19580	37.1
389.17368	1.9
391.18967	3.9
393.20648	2.7
401.17624	8.6
403.19064	10.3
405.20624	26.7
417.20782	1.7
419.18533	5.6
421.20181	13.9
423.21555	4.1
435.21487	3.9
437.23666	1.9
439.21341	20.5
447.21817	5.9
463.29892	1.8
465.22693	16.6
479.20834	2.4
507.23621	2.8
525.24896	8.5
607.29053	2.4
625.31281	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	625.3009
Annotation	Taxuspine M
Peak:m/z	Relative Intensity
53.03944	3.8
55.01868	21.6
55.05503	14.2
67.05491	8.1
69.03080	4.3
69.03432	67.6
69.07059	8.9
79.05490	15.4
81.03423	16.4
81.07061	9.8
83.04987	18.8
83.58915	2.3
91.05484	56.9
93.07037	20.3
95.04967	18.3
95.08599	10.1
97.06508	6.9
98.20695	4.1
103.05495	2.9
105.07043	34.1
107.04958	7.6
107.08596	11.8
109.06551	6.2
109.10164	3.7
115.05476	18.0
115.06142	3.0
116.06235	2.8
117.07019	34.4
119.08585	45.2
120.68339	2.5
121.06531	5.6
121.10134	4.3
123.08060	3.8
128.06223	11.5
129.07021	32.2
130.07803	6.2
131.04955	3.4
131.08560	32.0
133.06519	5.2
133.10117	31.7
135.08040	6.4
141.07004	10.7
142.07751	17.3
143.08565	38.7
144.05661	3.4
145.06451	28.4
145.10120	31.5
147.08055	100.0
147.11739	5.9
149.09622	8.7
153.06984	4.9
154.07770	4.6
155.08580	16.4
156.09344	19.0
157.06517	4.2
157.10143	50.2
157.11334	4.6
158.07271	4.3
159.08080	60.5
159.11725	10.1
161.05969	3.5
161.09631	64.2
163.07539	7.0
163.11166	7.7
165.07033	6.0
165.09155	4.1
166.07745	3.3
167.08586	7.7
168.09398	4.4
169.06503	4.0
169.10135	21.7
170.07292	3.1
170.10901	15.2
171.08037	18.9
171.11700	82.7
172.12396	2.6
173.05981	9.4
173.09628	40.7
173.13251	4.4
175.07538	20.5
175.11162	6.3
179.08580	7.6
180.09358	5.0
181.10106	7.6
183.08063	9.6
183.10237	4.2
183.11691	41.4
184.08871	5.4
185.09682	25.5
185.13254	58.6
187.07527	5.9
187.11185	13.3
189.09175	6.0
192.09286	3.2
193.10080	6.7
194.10899	3.5
195.07971	4.3
195.11673	15.8
197.09703	12.6
197.13254	19.2
198.10304	5.6
199.07584	2.8
199.11195	31.4
201.09145	3.2
201.12671	5.7
203.10646	2.7
204.09317	2.7
205.10249	4.5
206.10966	5.2
207.11705	10.2
209.09537	6.5
209.13242	6.0
211.11157	12.1
211.14615	3.6
213.09178	7.0
213.12752	61.3
215.10661	10.4
217.12256	4.9
219.11737	7.1
220.12418	4.1
221.13286	8.6
223.11148	9.1
223.14815	4.5
225.09145	3.4
225.12781	4.6
227.10625	3.5
229.10138	4.8
229.12227	8.5
230.10931	5.7
231.10194	10.6
231.13837	9.4
232.12369	4.9
233.09645	3.7
233.13281	8.1
235.11198	6.4
235.14922	6.0
237.12747	6.2
239.10728	6.3
241.10204	5.2
241.12227	12.9
242.10977	4.2
243.10178	8.5
243.13889	9.7
244.12527	8.6
245.09601	4.4
245.13315	4.9
245.15392	43.4
246.10362	4.4
246.14006	3.0
247.11139	6.3
247.14853	6.1
249.12764	9.6
249.16447	3.8
251.14378	5.2
253.12349	3.8
255.11565	3.8
255.13797	8.6
256.12396	5.4
257.13220	4.6
258.14124	4.3
259.11023	4.7
259.13196	7.0
261.12842	7.7
263.14481	4.5
265.16135	3.0
268.12405	5.3
269.13223	9.9
270.14151	4.3
271.10999	4.9
271.14951	3.0
272.11893	5.4
273.12512	5.9
273.14911	36.6
275.14136	5.0
282.13873	3.6
283.11227	5.9
283.14838	8.3
284.11987	2.8
285.12717	6.8
286.13467	5.2
287.14294	10.6
289.12177	3.2
296.11804	3.9
297.12701	9.3
297.15829	3.5
298.13672	5.9
298.16980	3.9
299.14240	11.5
299.17688	4.2
300.15262	4.2
301.15921	16.3
303.13925	4.4
303.17392	4.8
311.14212	8.0
312.15091	8.3
313.15845	9.1
314.13034	3.4
314.16400	4.9
315.13855	4.5
315.17224	12.8
317.19006	13.7
325.12042	3.7
326.16730	4.9
327.13821	5.3
327.17435	21.5
328.14655	3.2
328.17984	3.4
329.15326	13.9
329.18735	4.7
331.20352	5.7
333.17068	5.0
339.13730	5.5
340.14420	3.8
341.19025	23.9
343.16727	3.1
345.18393	15.1
349.18066	4.2
354.15875	4.1
357.18503	16.7
359.20020	22.7
361.17960	6.0
369.18579	25.8
377.21265	5.3
387.19601	30.0
389.21152	19.3
391.22800	13.9
401.21176	39.5
405.20636	5.1
407.22153	11.7
419.22205	50.0
425.23251	21.6
437.23172	7.3
447.21448	7.6
455.21707	3.2
461.22977	5.9
465.22687	3.4
479.24255	22.6
507.23840	4.1
539.26733	12.4
593.27112	3.8
607.28986	15.4
625.29626	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	625.2773
Annotation	Khelmarin C
Peak:m/z	Relative Intensity
55.01870	1.1
55.05513	2.0
67.05509	1.2
69.03433	0.7
79.05506	1.3
81.03405	0.6
81.07050	1.4
83.04998	3.5
84.10525	0.5
91.05485	3.3
93.07077	1.0
95.04972	0.7
95.08627	0.6
98.21457	1.1
103.05492	2.2
105.03369	0.5
105.07034	2.0
107.08594	0.9
109.06535	0.4
115.05473	1.1
116.06235	0.5
117.07043	1.3
119.08589	2.8
121.06567	0.9
128.06264	0.9
129.07007	1.5
131.04932	4.8
131.08577	2.5
133.10152	1.9
141.06987	0.8
143.08589	1.7
145.06511	1.8
145.10149	1.1
147.08032	4.3
149.09673	0.9
155.08563	0.7
156.09361	0.8
157.10159	2.2
159.08069	6.2
159.11682	1.0
161.09619	2.5
163.07611	0.8
164.02646	0.5
169.10185	1.4
171.08054	0.5
171.11734	3.7
173.09659	1.3
175.07600	1.1
182.98203	0.5
183.11777	1.7
184.08821	0.6
185.09714	1.3
185.13348	2.1
187.11285	0.9
193.10239	0.5
195.11700	0.6
197.09665	1.0
197.13287	0.7
199.11179	1.0
207.11864	0.6
213.12849	1.9
221.13179	0.6
229.12280	1.4
231.13916	1.2
245.15596	0.7
249.12610	0.6
259.13467	0.6
261.12790	0.5
274.42096	0.5
288.65149	0.5
315.17474	1.3
327.17368	0.5
329.15598	0.6
341.19397	0.5
344.53351	0.5
345.18472	0.6
369.18283	0.6
380.67261	0.5
387.19498	1.3
389.21179	0.6
391.22650	0.7
401.20935	0.5
405.20825	1.5
412.44711	0.5
435.21689	1.1
445.29639	2.1
455.99655	0.5
477.22504	32.5
596.17041	0.6
607.29126	0.6
625.27722	100.0
626.28094	2.2
643.28723	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2771
Annotation	Khelmarin C
Peak:m/z	Relative Intensity
52.75820	0.4
53.03953	0.4
55.01880	0.9
55.05510	3.2
56.33105	0.4
56.60783	0.4
57.07060	0.8
62.74858	0.4
65.42576	0.4
67.05502	2.1
69.03442	1.1
69.07068	0.8
70.14517	0.4
71.05009	0.6
71.55479	0.7
79.05484	2.2
81.03413	1.0
81.07052	1.9
83.04984	3.8
91.05480	2.4
93.07051	1.5
95.04982	1.4
95.08611	0.9
103.05498	0.7
105.07014	2.5
107.08616	1.2
115.05442	0.9
117.07032	1.7
119.08567	2.4
121.06501	0.5
121.10162	0.7
125.09720	0.5
128.06227	0.5
129.07033	1.4
131.04994	0.7
131.08597	1.6
133.06535	0.6
133.10132	1.3
141.07031	0.6
142.07851	1.1
143.08578	1.5
145.06526	1.2
145.10153	0.9
147.08064	3.3
155.08565	1.0
156.09413	0.7
157.10185	1.8
159.08101	2.0
159.11780	0.9
161.05998	1.6
161.09663	1.8
163.07561	1.3
169.06573	0.5
169.10136	1.1
171.08105	0.8
171.10403	0.5
171.11707	2.5
173.09566	1.1
175.07581	1.3
181.10234	0.5
183.08080	0.6
183.11743	1.3
185.09644	0.9
185.13304	1.3
187.11174	0.7
195.11711	0.8
197.09676	0.6
197.13359	0.7
199.11230	1.3
213.12848	1.2
223.14828	0.7
225.12752	1.0
231.13829	1.1
243.10104	0.5
245.15479	0.6
259.13324	0.7
273.15030	0.7
290.25397	0.5
291.13513	0.5
329.15283	0.6
359.20123	0.7
369.18683	0.7
387.19617	1.7
403.17175	0.5
405.20761	1.7
419.22263	1.0
447.20941	0.5
453.33548	0.6
477.22504	40.1
478.22986	0.5
518.25671	0.5
527.37146	1.0
547.23633	0.5
581.41864	0.5
607.43835	0.6
625.27704	100.0
626.28076	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	625.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50381	0.9
55.01881	1.3
55.05505	3.7
56.99395	1.0
62.58339	0.9
66.01908	1.0
67.05518	6.3
69.03410	1.2
69.07085	2.1
71.56695	1.2
79.05482	5.5
81.03407	3.3
81.07059	5.2
83.04987	4.3
83.08624	1.8
91.05469	4.7
93.07049	4.5
95.04956	2.4
95.08604	4.4
97.10179	1.1
105.07041	3.8
107.08601	2.5
109.10193	2.3
117.07034	3.0
119.08584	3.6
121.10168	1.4
123.11739	1.4
129.06975	2.3
131.04936	2.4
131.08600	3.7
133.10112	3.2
135.11633	1.1
142.07811	1.1
143.08557	3.2
145.10159	3.2
146.09656	1.9
147.08055	3.5
147.11694	1.3
149.09737	1.2
155.08588	1.8
157.10182	3.1
159.08101	2.6
159.11760	1.1
161.09631	2.8
164.10735	6.4
169.10156	1.5
171.11758	3.6
183.11717	2.7
183.52754	1.0
185.13269	1.9
193.12357	1.0
197.13274	1.2
198.11502	1.0
222.11536	1.1
223.12358	3.4
224.13153	1.0
235.12622	1.2
237.13904	1.2
238.14706	4.6
248.11845	1.3
249.12650	1.4
259.08588	1.0
264.14963	2.5
277.15610	1.0
286.13452	1.3
288.14938	1.1
292.14493	2.6
294.08716	1.0
307.16766	0.9
309.75650	1.1
314.12939	1.1
332.37100	1.1
371.12753	1.1
386.11090	1.0
391.18936	1.1
403.19272	2.5
405.20773	2.9
414.11035	6.2
415.11453	1.8
417.21399	1.4
418.18295	1.0
429.17535	1.2
430.14203	3.1
431.18851	2.8
435.17065	1.1
445.19907	1.7
446.13605	1.9
446.21365	2.2
447.15237	1.3
447.21725	1.8
449.19589	1.7
458.21039	1.4
459.22324	1.2
460.22504	3.4
461.23126	2.8
462.16891	3.0
463.21387	1.4
464.21530	1.4
473.23746	11.6
474.20230	1.2
475.25381	2.0
479.24323	4.1
487.20993	1.5
488.21475	2.2
490.20557	1.2
491.20038	1.2
501.23251	7.5
502.19766	1.2
503.24503	5.6
506.22073	1.4
507.24063	15.3
508.19617	1.1
519.24060	1.6
520.24158	1.1
524.22345	1.4
527.37305	9.4
529.22321	2.7
531.24072	7.2
532.22040	1.5
533.21222	2.7
547.23865	4.2
548.24225	2.8
549.25128	2.1
550.22205	1.5
557.22528	1.3
558.20038	1.4
559.19879	1.3
565.24097	3.1
575.22900	20.8
576.21704	5.4
579.22339	1.5
582.24292	1.2
589.24341	2.8
593.23785	22.4
607.25549	93.8
607.42133	2.3
608.23944	10.2
625.26550	100.0
625.44202	6.3
626.26630	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65241	0.9
53.03957	1.0
55.05506	3.1
65.03918	1.2
65.93245	0.7
67.05509	10.3
69.07063	3.5
71.55486	1.2
79.05501	9.7
81.07069	9.5
81.81490	0.7
83.04986	1.0
83.08620	1.6
89.88007	0.9
91.05488	10.3
93.07044	10.2
95.04962	1.7
95.08614	5.1
95.25488	0.9
97.06530	1.2
97.10143	1.5
105.07058	6.7
107.08606	5.5
109.10155	2.2
117.06999	5.1
119.08604	5.7
121.10136	5.2
129.07062	1.8
131.08592	5.2
133.10155	3.9
135.08060	1.1
135.11711	2.7
141.06853	0.8
143.08578	2.5
145.06580	1.0
145.10118	4.4
147.08081	1.1
147.11719	1.3
149.13261	1.1
157.10173	2.7
159.11725	3.2
161.09637	1.9
161.13322	1.0
169.10153	1.9
171.11736	2.3
173.13283	1.5
183.11749	1.2
185.13315	1.2
197.13214	1.3
221.10968	1.0
257.19220	1.0
273.18491	2.3
275.20169	2.6
291.19467	2.4
333.24463	1.4
335.25919	1.5
349.24088	0.9
373.17307	0.9
377.17673	1.1
378.18588	0.9
389.18323	1.7
391.19174	2.8
392.19763	2.3
403.19241	1.8
404.20364	1.7
405.20773	9.1
406.21564	2.0
407.22229	5.7
419.22916	4.1
420.22968	4.3
421.24017	7.1
431.23279	1.2
432.18948	1.0
433.23895	2.7
434.24771	1.7
435.18427	2.4
436.19107	1.2
447.21744	1.9
449.19852	2.2
450.20532	1.3
451.21283	18.8
452.22031	3.2
460.22839	1.8
461.23056	1.8
463.21646	1.2
464.22116	2.1
465.22977	16.0
466.23694	4.2
469.67026	1.0
477.21951	1.2
478.23383	2.4
479.24429	3.0
488.22269	1.5
493.26105	14.6
494.26581	2.0
503.24622	6.9
505.22583	1.2
509.21964	3.6
519.23639	1.4
521.25610	8.8
523.23328	9.2
537.24512	6.1
538.25818	17.5
547.23529	4.0
565.24585	8.6
566.25214	1.3
581.27838	4.6
593.25464	1.2
607.25739	6.1
607.43292	2.3
608.28949	1.0
625.26660	100.0
625.42706	11.8
626.26855	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.01875	1.7
55.05509	1.1
57.03439	1.0
61.02931	1.1
66.04842	0.6
67.05504	2.4
69.03434	6.0
69.07070	1.6
69.37570	5.1
71.05005	1.6
73.02919	0.8
79.05498	3.8
81.03422	5.6
81.07056	7.5
83.04984	1.0
85.02914	9.4
85.06553	1.1
87.00832	4.2
91.05494	6.2
93.07051	3.9
94.04187	2.0
95.04988	6.0
95.08597	5.3
97.02898	4.2
97.06523	0.6
99.04450	1.7
99.08103	1.5
103.05483	2.7
105.01849	3.5
105.07034	5.6
107.04958	5.1
107.08578	3.2
108.05733	1.8
109.02891	4.8
109.06527	1.7
109.10169	3.0
111.04433	3.2
115.05468	0.9
117.07018	1.9
119.08572	1.8
121.06512	7.2
121.10160	2.1
122.03654	4.4
123.08101	0.9
123.11717	1.1
127.03942	5.7
128.06248	1.5
129.06979	1.1
131.04930	5.6
131.08612	1.3
133.06493	19.6
133.10138	1.7
135.04425	2.0
135.08070	3.5
135.11742	1.3
136.05203	5.0
137.05986	100.0
138.06389	0.6
143.08580	2.3
145.04890	1.5
145.06508	3.0
145.10164	1.6
146.07237	3.4
147.04349	0.9
147.08078	9.4
149.05966	1.6
149.09688	1.0
149.13243	2.1
150.06743	2.8
151.07550	99.6
152.08205	1.2
157.06500	1.6
158.07254	1.0
159.08032	1.9
159.11778	2.0
160.08812	0.7
161.06010	3.7
161.09669	0.9
162.06737	1.9
163.07549	14.2
165.09120	10.1
165.87051	0.6
169.06480	1.0
169.10167	0.8
170.07204	0.8
171.08038	2.7
173.05922	0.9
173.09621	0.7
173.13232	0.6
174.06784	2.9
175.07561	3.6
176.08408	1.3
177.05547	1.5
177.09120	28.2
177.12686	1.1
179.06915	0.8
179.10703	0.9
185.09706	0.7
186.10440	1.0
187.07550	2.9
188.08313	2.8
189.09105	6.9
191.10687	2.5
195.10149	1.2
197.04460	1.3
199.07578	0.7
201.09155	4.1
202.09790	1.4
203.06978	1.4
203.10686	9.2
205.08469	0.8
212.08299	0.9
213.09021	0.9
215.10651	2.2
217.12233	4.3
217.28033	0.6
219.10069	1.1
221.11821	1.1
229.08575	2.1
233.11707	1.7
235.13301	1.0
243.10165	2.3
243.15918	1.1
269.17386	2.3
277.12158	0.8
278.12814	1.1
287.23459	1.1
301.19852	0.8
305.11591	0.8
305.24707	2.7
309.14835	14.7
317.06451	0.8
323.25806	2.0
326.15125	6.4
337.14178	1.4
341.17499	35.2
341.26752	1.4
349.14273	1.0
351.15860	1.0
359.18561	3.2
365.17471	3.5
367.15265	1.0
368.16092	1.1
369.16806	0.8
383.18402	2.5
405.20163	0.7
407.18387	1.2
425.19754	1.0
445.23547	0.7
449.19348	3.0
464.23331	0.7
469.21423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1761
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
57.03415	0.9
61.02911	0.4
69.03421	1.0
69.22110	3.2
71.04991	8.9
73.02901	0.4
75.04462	0.4
81.03389	0.6
81.07021	0.4
83.04966	0.5
85.02905	10.8
87.96687	0.3
92.02624	0.5
95.04980	0.3
97.02873	0.8
101.88633	0.3
111.04427	0.5
111.70264	0.3
120.08109	0.6
121.02865	0.5
127.03920	0.7
129.05496	2.4
137.06018	0.6
145.04921	0.6
147.06525	0.9
149.51779	0.3
151.03813	0.4
153.01839	4.7
154.63075	0.4
164.31784	0.3
165.01833	0.6
200.63419	0.3
201.05510	0.4
203.03413	0.4
211.58507	0.3
217.05023	0.4
218.05855	0.6
228.04207	0.4
229.04990	1.4
245.04539	0.6
246.05127	1.2
257.04559	1.7
273.03860	1.5
274.04736	3.3
285.04007	2.0
302.04205	10.3
302.18164	0.3
317.06558	100.0
318.06940	0.9
402.45883	0.3
625.31049	1.0
651.06702	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
55.01857	3.3
55.05267	3.9
55.05517	53.4
56.05044	2.8
67.05504	9.7
69.03433	5.0
69.07069	5.7
70.59572	8.4
79.05499	11.1
81.03413	6.3
81.07067	12.8
82.02947	3.5
83.04988	78.1
84.05312	4.6
91.05499	19.6
93.07041	16.1
94.06562	4.4
95.04983	12.6
95.08620	8.2
96.04499	7.5
96.38845	2.5
97.06553	4.2
97.31438	2.3
100.03986	10.7
101.02387	8.6
103.05460	5.7
105.03429	4.2
105.07030	22.7
107.04948	5.9
107.08626	12.4
109.06502	5.1
109.10153	5.0
110.06156	3.1
117.07026	9.0
119.07908	2.9
119.08604	30.0
120.08107	3.0
120.08965	3.9
121.06499	6.4
121.10155	10.6
122.06023	2.3
123.08050	3.3
124.07697	2.5
126.05664	2.7
128.06229	8.5
129.07014	6.6
131.04919	5.1
131.08600	14.5
133.06517	4.0
133.10135	22.3
134.06030	2.7
135.07974	4.4
137.09662	2.3
141.07085	2.3
142.05023	9.2
142.07744	5.3
143.08549	16.7
145.06522	4.8
145.10114	12.5
146.07253	2.8
146.10762	2.6
147.04361	2.5
147.08069	12.8
147.11674	3.8
147.24371	2.5
149.09612	8.9
155.08604	6.7
156.09351	7.8
157.10144	17.1
159.08057	8.1
159.11696	8.4
161.05986	3.1
161.09637	8.3
163.07552	3.7
165.07008	5.8
167.08557	7.4
168.09413	3.4
169.10147	17.7
170.10869	3.3
171.08003	3.1
171.11674	17.8
173.09671	6.0
173.13293	3.0
177.09134	4.5
179.08594	7.2
179.10600	3.1
180.09258	3.8
181.10107	12.3
182.10623	3.1
183.08119	5.0
183.10194	3.2
183.11690	20.0
185.09621	3.5
185.13264	10.0
191.08565	2.7
191.10588	2.2
192.09357	4.7
193.10182	12.6
194.10912	5.5
195.08093	3.5
195.11713	13.7
196.12460	2.7
197.09621	5.9
197.13269	8.4
199.11174	9.9
201.12682	3.5
205.10158	5.1
206.10980	12.4
207.11697	15.0
208.12440	5.5
209.09631	3.5
209.13281	10.2
211.11192	9.0
213.12785	12.1
215.08582	2.5
215.85419	2.2
217.10143	4.5
218.10841	3.8
219.11696	9.9
220.12469	4.9
221.09616	4.5
221.13229	24.9
223.11198	7.3
223.14868	10.7
225.12752	4.6
229.10118	4.7
229.14166	2.8
230.10907	5.5
231.11685	9.8
231.13748	2.9
232.12450	5.7
233.13235	18.1
234.13966	5.0
235.11205	5.4
235.14851	11.5
236.12000	2.4
236.15369	2.9
237.12708	5.2
237.16460	3.4
241.10094	3.4
241.12334	3.0
243.11725	13.4
244.12563	8.5
245.13420	14.4
246.14037	6.7
247.11113	4.4
247.14987	11.5
249.12718	7.5
249.16350	6.6
251.14317	9.8
257.13266	16.5
258.14014	14.6
259.14856	8.6
260.15656	10.9
261.12698	5.8
261.16400	9.8
262.13724	3.1
262.16946	4.3
263.14316	9.0
263.17920	5.2
264.15088	4.3
265.15866	9.1
267.17648	4.1
268.12488	2.4
269.13278	5.5
270.13998	3.9
271.14761	8.4
272.15610	5.7
273.12695	4.5
273.16367	18.7
274.17084	3.1
275.14951	4.3
275.17950	22.9
276.18820	4.6
277.15820	6.3
281.13226	5.7
283.11459	2.9
283.14749	7.2
284.15567	5.3
285.16437	5.4
286.14294	8.4
287.14511	4.9
287.17908	19.1
288.15256	3.8
288.18719	5.0
289.15851	5.8
291.17444	9.4
295.14743	4.2
297.13028	2.6
297.16245	3.9
301.15814	4.7
301.19168	3.5
303.17438	8.5
305.15805	2.8
305.18835	14.0
306.19699	3.4
311.17899	8.0
313.16034	3.5
313.19534	5.5
317.15271	3.1
317.19147	4.4
319.16739	2.7
329.19040	6.3
331.20660	6.2
333.22226	4.4
337.18823	2.6
341.18893	10.2
343.20618	9.5
345.18301	3.2
356.20071	4.0
357.18668	10.9
358.21887	4.1
359.20349	11.5
361.21671	7.6
364.19308	2.7
369.18542	3.9
372.23227	3.1
374.21237	4.0
375.19507	7.3
377.21231	3.7
386.21191	6.9
387.19650	23.0
388.19138	6.9
400.22845	6.5
402.24429	3.7
404.22137	8.6
405.20752	18.7
416.22253	61.5
418.23828	18.5
422.23038	3.1
428.22308	48.8
434.23120	11.9
435.21713	3.3
436.24628	4.2
446.23383	100.0
447.21915	6.7
464.24533	22.7
506.25543	17.7
524.26453	21.2
546.28497	6.8
606.31104	13.8
624.31921	79.1
625.31952	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	624.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
53.68007	1.7
55.05516	11.1
61.44003	2.0
67.05499	4.9
69.03429	4.8
69.07080	3.6
69.34763	11.5
69.35172	2.6
70.62227	1.6
79.05482	7.5
81.03413	4.9
81.07053	12.4
83.04986	16.8
91.05488	12.3
93.07048	11.0
95.04976	4.3
95.08598	13.7
97.02974	2.1
97.06544	2.3
103.05475	36.2
105.07034	16.7
107.04915	2.0
107.08598	9.1
109.06509	5.8
109.10155	5.0
110.48072	1.5
112.67663	1.8
115.05447	4.2
117.06983	9.0
119.08591	19.5
121.06493	4.8
121.10167	6.8
123.08093	2.6
128.06259	3.4
129.07037	6.2
130.07816	2.2
131.04932	100.0
131.08597	10.6
132.02596	1.5
132.05313	1.7
133.06496	4.7
133.10149	9.8
135.08069	4.9
137.05977	2.7
140.64368	1.8
141.06985	5.3
142.07813	3.9
143.08548	8.0
145.06535	10.7
145.10187	8.7
147.08058	7.2
147.11646	2.1
149.09605	4.0
153.06944	1.8
154.07759	2.3
155.08566	6.9
156.09425	8.4
156.10623	1.5
157.06517	2.1
157.10100	17.0
158.10742	2.2
159.08049	12.8
159.11740	8.8
160.08641	1.8
161.06013	3.2
161.09590	5.8
163.07564	4.7
165.07001	2.5
167.08563	4.2
168.09328	1.8
169.10077	8.8
170.10826	3.7
171.08051	5.6
171.11684	19.8
172.12199	2.4
173.06004	2.9
173.09676	7.6
173.13307	4.4
175.07593	3.8
175.11163	3.3
179.08504	2.4
179.10696	2.0
180.09323	2.5
181.10110	6.1
183.08142	4.7
183.11693	12.5
184.08798	2.6
184.12108	1.7
185.09630	7.0
185.13252	9.6
187.07568	5.4
187.11154	4.1
189.09108	4.0
189.12704	2.0
191.08603	1.9
192.09250	2.5
193.10210	5.3
195.08061	4.8
195.11693	9.4
196.08765	2.9
197.09599	6.1
197.13223	5.3
198.10345	3.6
199.11192	9.1
200.12033	3.4
201.09126	3.2
201.12854	4.8
205.08414	2.0
205.10153	2.7
206.10924	3.9
207.11749	8.4
209.09586	3.7
209.13309	5.8
211.11186	6.2
213.09236	2.0
213.12746	13.2
215.14282	5.3
217.10258	3.5
217.12289	4.5
219.11732	3.9
220.12454	3.2
221.09485	3.3
221.13297	5.8
223.11179	4.0
223.14833	3.0
225.12794	5.2
229.12331	2.6
231.11800	2.6
231.13824	7.4
232.12408	4.3
233.13297	4.6
234.13919	2.5
235.11237	2.7
235.14807	4.9
237.12717	4.3
239.14374	2.3
241.12277	2.2
243.13857	6.0
245.65836	2.0
246.13991	3.4
247.11046	2.2
247.14891	6.0
248.11876	2.9
249.12662	4.5
249.16460	2.3
251.10719	2.3
251.14302	11.2
257.13373	3.1
259.11121	2.1
259.14890	3.6
260.15543	2.8
261.16455	2.1
263.14319	7.5
265.12488	2.4
265.15863	4.1
265.19498	2.6
267.13800	5.3
269.15372	4.9
272.15436	2.1
273.14813	3.3
275.14417	2.3
275.17877	3.5
277.19519	4.7
279.17413	4.7
279.33575	1.8
281.15518	2.5
281.19073	2.9
287.14331	3.6
287.17932	4.9
293.19009	5.5
295.20486	3.4
305.18939	17.0
321.18414	1.7
323.20038	29.6
331.16907	2.0
333.14795	3.2
341.21207	17.3
343.17081	2.4
357.18591	3.9
359.22079	6.1
361.18130	2.5
363.15817	2.7
369.18369	3.2
375.19308	3.1
385.18231	2.6
386.18246	2.8
387.19617	10.2
399.18097	3.3
404.19293	2.2
405.20630	16.5
418.20502	2.3
421.20404	2.5
423.21768	14.0
441.22861	8.9
489.26471	2.4
507.27493	5.1
571.26831	4.8
588.14264	2.0
589.27057	3.1
605.29449	1.9
624.29291	3.1
640.79315	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
55.01857	3.3
55.05267	3.9
55.05517	53.4
56.05044	2.8
67.05504	9.7
69.03433	5.0
69.07069	5.7
70.59572	8.4
79.05499	11.1
81.03413	6.3
81.07067	12.8
82.02947	3.5
83.04988	78.1
84.05312	4.6
91.05499	19.6
93.07041	16.1
94.06562	4.4
95.04983	12.6
95.08620	8.2
96.04499	7.5
96.38845	2.5
97.06553	4.2
97.31438	2.3
100.03986	10.7
101.02387	8.6
103.05460	5.7
105.03429	4.2
105.07030	22.7
107.04948	5.9
107.08626	12.4
109.06502	5.1
109.10153	5.0
110.06156	3.1
117.07026	9.0
119.07908	2.9
119.08604	30.0
120.08107	3.0
120.08965	3.9
121.06499	6.4
121.10155	10.6
122.06023	2.3
123.08050	3.3
124.07697	2.5
126.05664	2.7
128.06229	8.5
129.07014	6.6
131.04919	5.1
131.08600	14.5
133.06517	4.0
133.10135	22.3
134.06030	2.7
135.07974	4.4
137.09662	2.3
141.07085	2.3
142.05023	9.2
142.07744	5.3
143.08549	16.7
145.06522	4.8
145.10114	12.5
146.07253	2.8
146.10762	2.6
147.04361	2.5
147.08069	12.8
147.11674	3.8
147.24371	2.5
149.09612	8.9
155.08604	6.7
156.09351	7.8
157.10144	17.1
159.08057	8.1
159.11696	8.4
161.05986	3.1
161.09637	8.3
163.07552	3.7
165.07008	5.8
167.08557	7.4
168.09413	3.4
169.10147	17.7
170.10869	3.3
171.08003	3.1
171.11674	17.8
173.09671	6.0
173.13293	3.0
177.09134	4.5
179.08594	7.2
179.10600	3.1
180.09258	3.8
181.10107	12.3
182.10623	3.1
183.08119	5.0
183.10194	3.2
183.11690	20.0
185.09621	3.5
185.13264	10.0
191.08565	2.7
191.10588	2.2
192.09357	4.7
193.10182	12.6
194.10912	5.5
195.08093	3.5
195.11713	13.7
196.12460	2.7
197.09621	5.9
197.13269	8.4
199.11174	9.9
201.12682	3.5
205.10158	5.1
206.10980	12.4
207.11697	15.0
208.12440	5.5
209.09631	3.5
209.13281	10.2
211.11192	9.0
213.12785	12.1
215.08582	2.5
215.85419	2.2
217.10143	4.5
218.10841	3.8
219.11696	9.9
220.12469	4.9
221.09616	4.5
221.13229	24.9
223.11198	7.3
223.14868	10.7
225.12752	4.6
229.10118	4.7
229.14166	2.8
230.10907	5.5
231.11685	9.8
231.13748	2.9
232.12450	5.7
233.13235	18.1
234.13966	5.0
235.11205	5.4
235.14851	11.5
236.12000	2.4
236.15369	2.9
237.12708	5.2
237.16460	3.4
241.10094	3.4
241.12334	3.0
243.11725	13.4
244.12563	8.5
245.13420	14.4
246.14037	6.7
247.11113	4.4
247.14987	11.5
249.12718	7.5
249.16350	6.6
251.14317	9.8
257.13266	16.5
258.14014	14.6
259.14856	8.6
260.15656	10.9
261.12698	5.8
261.16400	9.8
262.13724	3.1
262.16946	4.3
263.14316	9.0
263.17920	5.2
264.15088	4.3
265.15866	9.1
267.17648	4.1
268.12488	2.4
269.13278	5.5
270.13998	3.9
271.14761	8.4
272.15610	5.7
273.12695	4.5
273.16367	18.7
274.17084	3.1
275.14951	4.3
275.17950	22.9
276.18820	4.6
277.15820	6.3
281.13226	5.7
283.11459	2.9
283.14749	7.2
284.15567	5.3
285.16437	5.4
286.14294	8.4
287.14511	4.9
287.17908	19.1
288.15256	3.8
288.18719	5.0
289.15851	5.8
291.17444	9.4
295.14743	4.2
297.13028	2.6
297.16245	3.9
301.15814	4.7
301.19168	3.5
303.17438	8.5
305.15805	2.8
305.18835	14.0
306.19699	3.4
311.17899	8.0
313.16034	3.5
313.19534	5.5
317.15271	3.1
317.19147	4.4
319.16739	2.7
329.19040	6.3
331.20660	6.2
333.22226	4.4
337.18823	2.6
341.18893	10.2
343.20618	9.5
345.18301	3.2
356.20071	4.0
357.18668	10.9
358.21887	4.1
359.20349	11.5
361.21671	7.6
364.19308	2.7
369.18542	3.9
372.23227	3.1
374.21237	4.0
375.19507	7.3
377.21231	3.7
386.21191	6.9
387.19650	23.0
388.19138	6.9
400.22845	6.5
402.24429	3.7
404.22137	8.6
405.20752	18.7
416.22253	61.5
418.23828	18.5
422.23038	3.1
428.22308	48.8
434.23120	11.9
435.21713	3.3
436.24628	4.2
446.23383	100.0
447.21915	6.7
464.24533	22.7
506.25543	17.7
524.26453	21.2
546.28497	6.8
606.31104	13.8
624.31921	79.1
625.31952	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	624.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.1
55.01873	9.4
55.05510	20.9
57.03405	5.7
59.05006	4.4
65.03943	4.5
66.91907	3.8
67.05515	26.6
69.03439	21.5
69.07059	21.9
69.64268	20.7
70.06599	47.0
71.04976	11.9
72.08150	4.3
73.02905	7.6
78.21661	3.9
79.05491	32.0
81.03418	21.0
81.07063	48.0
83.04990	30.2
83.08614	4.9
84.03888	4.0
84.04437	5.0
84.08179	9.0
85.02907	12.3
86.09698	10.2
87.04459	8.6
91.05492	46.9
93.07051	44.8
95.04972	23.6
95.08620	36.7
97.02889	10.0
97.06514	11.6
99.04434	9.1
103.05470	8.5
105.07038	49.6
107.04980	6.7
107.08599	40.0
109.02924	7.0
109.06519	14.6
109.10143	17.5
111.08073	6.8
113.05952	6.4
115.05400	5.0
117.03365	12.6
117.07018	16.0
119.04961	13.3
119.08582	51.3
120.08107	19.1
120.08895	6.6
121.06507	17.8
121.10133	18.3
123.04434	15.8
123.08044	9.0
123.11730	8.9
125.06033	5.4
126.05523	9.8
127.03941	11.8
128.06216	6.5
129.06984	19.0
131.04945	7.7
131.08585	38.8
133.06487	15.1
133.10149	26.8
135.08043	14.1
135.11719	10.3
136.06207	6.7
137.06000	11.7
139.07523	5.4
141.05496	4.6
141.06993	10.5
142.07747	11.1
143.07002	6.0
143.07556	4.3
143.08565	38.0
145.02873	33.3
145.06454	11.8
145.10153	39.6
146.10332	4.2
147.04404	14.8
147.08058	12.3
147.11674	13.8
149.05988	16.8
149.09583	10.6
151.07562	11.6
153.05594	5.9
155.07057	4.1
155.08569	23.1
156.09355	10.8
157.10121	44.5
159.08044	12.6
159.11662	25.5
161.09610	17.3
161.13263	8.6
163.11194	5.7
165.07014	7.9
165.09163	9.1
167.07089	7.4
167.08543	12.5
168.09303	7.1
169.10164	34.2
170.10646	4.5
171.08044	12.5
171.11732	24.8
173.09679	12.0
173.13266	8.6
175.07547	6.2
175.11186	6.9
177.05496	65.2
177.09048	8.5
179.08577	15.4
180.09265	7.5
181.10081	25.2
182.10934	7.9
183.08173	9.4
183.11716	29.8
184.12299	4.5
185.09602	11.0
185.13268	12.9
187.07516	6.3
187.11215	9.2
189.09135	8.9
191.10580	4.6
193.10176	25.1
194.10938	8.7
195.11713	33.6
196.12402	5.6
197.09650	11.8
197.13246	24.1
199.11162	16.0
199.14828	5.9
201.09152	5.0
201.12791	5.4
203.10670	7.8
205.10216	11.0
206.10847	7.9
207.11687	37.1
208.12454	5.0
209.09583	5.4
209.13300	28.2
211.11125	10.5
211.14777	13.7
213.09122	12.0
213.12848	12.1
215.10675	10.0
215.14301	4.3
216.09444	4.3
217.10109	7.1
219.11722	23.7
220.12398	8.9
221.13286	19.3
221.23615	4.5
223.11191	14.4
223.14894	20.3
225.12732	12.2
227.10651	11.1
229.12213	9.4
231.11711	11.1
232.12364	6.8
233.13199	15.1
234.13966	5.7
235.11195	5.2
235.14844	18.7
237.09198	5.7
237.12798	10.1
237.16400	15.3
239.10655	8.2
241.12245	17.4
245.13284	8.0
246.14027	6.4
247.11256	9.7
247.14795	17.0
249.12770	5.7
249.16386	11.8
251.10733	8.0
251.14255	4.9
251.17863	5.8
253.12363	9.8
253.15939	6.1
255.13779	9.4
258.13913	5.3
261.12766	6.7
261.16434	7.5
263.14059	28.2
264.15167	4.4
265.12222	6.3
265.15866	7.6
267.13837	11.4
271.14758	6.8
273.16483	5.6
275.14166	4.3
275.17999	5.3
277.12286	4.8
277.16144	4.5
279.13779	10.6
287.05460	14.7
289.15768	7.3
290.16257	4.9
291.13882	5.4
293.15298	12.4
297.14645	5.3
301.17899	5.4
305.24738	8.0
307.16916	11.0
308.17749	4.7
309.18448	4.4
317.06323	5.8
317.18890	6.4
321.24081	5.5
322.24588	5.8
323.25842	6.3
327.19489	14.0
333.17975	6.6
335.16498	8.1
335.20041	5.5
337.17960	8.3
339.15833	5.2
339.19531	14.1
345.18457	4.8
347.34055	5.0
353.17377	6.3
353.21234	24.7
359.14896	5.2
359.19843	8.4
361.17981	5.0
363.19437	9.3
365.20966	4.8
371.18506	8.9
377.21249	15.4
379.18774	7.1
381.16443	7.4
381.20572	15.6
383.22113	6.8
387.19562	18.1
391.18866	5.8
395.22522	8.7
397.20035	14.2
399.21729	31.3
405.20584	34.2
409.20169	25.6
410.20526	8.1
423.21671	63.9
425.23230	7.2
427.21274	18.3
433.20102	17.9
439.21042	6.4
441.22653	49.4
443.24155	4.9
446.23203	4.3
451.21249	44.2
467.04688	6.2
469.22229	100.0
487.23138	36.9
505.24225	5.3
524.26282	5.9
624.31238	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.4
55.05518	3.3
66.43645	1.5
67.05513	8.4
69.03430	3.6
69.07060	6.9
69.47594	8.0
69.47994	3.0
72.04198	1.5
79.05498	7.6
81.03414	4.3
81.07050	3.9
81.10703	1.4
83.04975	6.5
83.10583	1.5
91.05476	26.7
93.07045	6.5
95.01334	10.5
95.04964	15.8
95.08605	2.4
100.60486	1.6
103.05476	3.4
105.07035	12.6
107.04947	6.5
109.06507	8.1
111.46630	1.5
115.05422	2.5
117.06998	5.9
119.04926	6.0
119.08577	11.5
121.06485	7.3
122.07301	2.0
123.04442	10.8
123.08064	1.7
123.73612	1.7
125.05967	2.8
128.06256	1.8
129.07076	3.5
130.07755	2.3
131.04936	2.7
131.08569	11.0
133.06474	5.4
133.10078	2.8
135.04420	1.8
135.08032	4.4
137.13669	1.6
139.07544	28.1
141.06996	1.8
142.07784	3.0
143.08565	9.8
145.06480	6.1
145.10121	20.3
147.04436	10.0
147.08066	10.6
149.06007	8.1
149.09618	3.8
151.03934	3.4
153.06950	2.4
154.07750	2.1
155.08543	8.1
156.09337	6.2
157.10143	13.1
159.08054	25.2
159.11636	4.5
161.05980	6.6
161.09654	5.1
163.07520	4.0
163.11154	5.8
165.06953	1.6
165.09120	9.3
167.08519	4.4
168.09360	4.3
169.06378	1.6
169.10120	11.0
170.10841	4.2
171.08092	7.9
171.11674	15.0
172.08846	6.4
173.09627	30.2
173.13306	2.5
175.07523	2.5
175.11197	2.2
179.07019	12.7
179.08577	8.4
180.09300	4.8
181.08633	38.1
181.10152	6.4
182.10951	1.8
183.08061	6.7
183.11710	27.8
184.08948	2.0
184.12309	2.0
185.09630	13.8
185.13237	15.6
186.10382	8.1
187.07620	2.1
187.11194	42.1
189.09146	2.3
191.10623	5.2
192.09299	2.9
193.10127	6.5
194.10918	7.0
195.08047	3.3
195.11679	7.1
196.08835	3.7
197.09593	14.1
197.13345	7.4
198.10388	6.5
198.23920	1.5
199.07524	2.1
199.11168	16.0
199.14819	4.7
200.11855	1.8
201.09056	9.6
201.12784	7.8
203.10634	2.0
205.10327	2.8
205.12263	6.9
207.10135	5.8
207.11755	5.1
208.08749	2.0
208.12389	2.7
209.09625	4.5
209.13278	11.9
210.10414	5.3
211.09288	2.8
211.11198	41.4
211.14777	2.9
212.11922	5.1
213.09312	7.3
213.12720	33.3
215.10696	3.5
216.77322	1.9
217.12216	1.7
219.11816	2.1
220.12546	2.6
221.09647	3.9
221.11481	1.7
221.13364	4.0
222.10356	6.6
223.11166	8.7
223.14844	3.7
225.09192	1.9
225.12758	25.9
226.09866	1.7
226.13387	1.9
227.10744	5.8
227.14285	15.4
229.10350	2.2
229.12267	13.3
231.10179	5.5
232.12283	1.7
233.11650	18.5
235.11246	4.5
235.14853	2.0
236.11943	6.4
237.12727	19.9
239.10648	6.5
239.14305	6.2
240.11467	2.2
241.08574	2.1
241.12248	5.9
241.15810	4.5
243.13861	4.5
245.11739	100.0
245.15500	2.7
247.13261	38.8
249.12848	2.6
251.10500	2.2
251.14284	7.2
253.12335	3.0
253.15894	1.8
254.12953	3.0
255.10243	2.8
255.13786	21.9
256.14667	1.8
257.11716	5.7
257.15396	2.2
259.13422	3.1
261.12570	2.3
261.15009	2.1
265.12244	6.8
267.13742	6.8
269.12695	2.5
269.15372	20.3
271.13306	12.1
271.16052	1.7
273.14896	17.5
277.12466	1.8
279.13779	6.9
283.13367	14.3
287.12930	3.3
287.16437	2.0
289.14276	14.6
297.14893	24.7
299.16449	5.9
301.14340	1.8
301.17722	1.6
311.16406	5.7
315.15863	7.7
319.16928	2.1
325.14325	4.5
325.34637	1.7
329.17538	22.2
331.16547	3.8
333.17035	3.0
339.16046	2.3
343.15454	18.5
347.18680	1.7
357.17026	11.6
359.16357	1.6
361.17758	1.8
373.17892	5.7
389.19492	12.1
391.18970	6.7
403.17511	23.0
421.18729	2.7
433.20288	7.7
449.21671	2.3
451.21368	3.1
624.28101	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	624.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37053	0.6
53.03949	8.1
54.46652	0.7
55.01874	7.8
55.05510	0.8
57.03443	4.4
57.34237	0.7
61.02931	4.4
68.99792	4.3
69.03080	1.6
69.03435	23.5
69.35048	6.6
70.06590	1.9
71.05002	4.0
73.02921	5.8
74.68046	0.7
75.42438	0.8
79.05503	1.8
81.03421	25.7
81.07067	0.9
83.01345	0.9
83.04977	1.8
85.02910	59.6
87.00838	29.0
87.04522	0.9
91.03939	2.0
91.05486	5.0
94.04168	0.8
95.04973	4.3
97.02898	32.4
97.03522	1.7
97.95194	0.7
99.04458	12.4
103.05457	2.5
105.01867	20.1
105.07043	4.0
107.04944	4.7
108.04500	1.3
108.05745	2.1
109.02887	27.6
109.06534	1.3
111.04458	1.5
115.03892	0.9
115.05419	1.1
116.07095	2.4
117.01871	3.8
117.07021	1.8
119.08558	1.4
121.06506	7.6
122.03650	3.8
127.03922	46.0
129.01852	3.2
131.04916	5.8
133.06500	21.6
135.04404	1.2
135.08057	2.5
136.05220	4.5
137.05983	100.0
143.08560	1.3
145.04967	19.6
145.06470	2.9
146.07256	4.1
147.02824	1.8
147.08034	12.3
149.06020	1.1
150.06793	2.1
151.07550	98.3
157.06483	2.2
159.02899	14.4
159.08090	2.0
160.05295	1.0
160.08888	0.9
161.06012	3.3
161.09555	0.9
162.06770	2.1
163.07547	14.7
165.09152	9.3
171.08070	1.9
173.05942	1.0
174.06731	1.3
175.07573	4.6
176.08389	1.4
177.09125	30.7
187.07582	2.3
188.08383	1.3
189.09114	6.9
189.13773	0.7
191.10742	2.1
195.10130	1.7
197.04442	1.3
201.09128	3.2
202.09779	0.7
203.07059	1.2
203.10715	6.8
213.03918	2.0
215.10643	1.2
217.12270	2.1
219.10109	1.9
229.08626	2.0
231.05025	10.2
233.11778	0.9
243.10205	1.8
249.06137	1.1
261.11218	1.9
261.49887	0.8
267.80655	1.0
277.12268	0.8
278.13205	0.9
292.37067	0.8
305.24753	0.9
309.14841	16.4
326.15128	8.0
337.14380	1.0
339.15906	1.7
341.17480	73.6
342.17572	1.3
351.15625	1.0
359.18524	24.7
365.17395	5.0
367.15073	1.4
383.18585	7.9
407.18472	2.1
409.16339	1.5
425.19467	4.8
431.18597	1.1
449.19678	7.9
467.20609	5.1
535.19427	1.0
553.20416	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.9
53.03950	7.0
55.01865	2.2
55.05514	5.5
55.05739	1.2
65.44019	0.7
67.05509	10.6
68.97910	0.7
69.07081	4.0
71.55322	0.9
77.03931	2.6
79.05492	9.9
81.03427	12.2
81.07062	13.6
82.60722	0.7
83.04991	3.0
83.08641	2.3
83.65299	0.6
89.08895	0.7
91.05492	10.9
92.24439	0.7
93.07052	13.1
95.04974	9.8
95.08606	13.6
97.06538	6.3
97.10180	1.7
99.08112	0.9
103.05484	2.0
105.03399	92.8
105.04547	3.6
105.07033	13.6
107.04964	2.6
107.08602	10.5
109.06530	1.3
109.10158	6.2
111.08081	2.2
115.05488	1.8
117.07012	5.1
118.06546	1.0
119.08602	9.1
121.06530	1.9
121.10161	7.6
123.07989	1.0
123.11720	2.3
125.09625	1.0
129.07016	3.0
131.04919	1.1
131.08592	7.6
133.06487	2.3
133.10129	7.9
135.11737	3.6
137.13223	0.8
139.07587	4.5
142.07819	0.8
143.08591	5.3
144.09247	0.8
144.34770	0.9
145.10130	9.3
147.08029	1.4
147.11710	5.8
149.09613	1.7
149.13298	3.7
151.11217	1.3
155.08611	2.2
156.09392	0.9
157.10147	6.3
159.04395	1.1
159.08047	1.1
159.11696	7.9
160.05244	1.8
161.05995	3.4
161.09605	2.3
161.13330	3.6
163.11162	2.3
163.14767	1.4
169.10124	2.9
171.08130	1.3
171.11722	4.9
173.06012	3.0
173.09572	1.1
173.13281	3.1
175.11238	0.8
175.14828	1.8
177.09108	1.2
177.12674	1.9
181.10126	2.2
183.11768	4.3
185.09598	0.8
185.13309	6.8
187.14813	4.5
189.12804	1.3
189.16420	2.4
193.10129	0.8
193.12172	0.8
195.11681	1.9
197.13304	2.8
199.14836	3.4
201.16429	2.8
203.10637	1.0
207.11644	1.1
209.13327	1.8
211.14790	3.1
213.12694	1.3
213.16406	2.6
215.10637	0.9
215.17938	1.7
217.15923	1.5
217.19547	1.1
221.13277	1.2
223.14943	1.0
225.16431	2.0
227.18013	2.6
235.14909	0.8
237.14061	1.3
237.16319	1.9
239.17961	1.9
241.19649	0.7
243.13737	1.2
243.17599	1.2
245.19084	1.7
251.18034	1.1
253.19614	1.6
255.21062	1.5
257.19025	1.6
259.20514	1.5
267.21317	1.0
271.13321	1.6
271.17303	1.1
273.14920	1.8
275.20096	1.7
276.14896	0.7
283.24155	1.0
289.14468	1.0
290.16461	1.7
292.18121	0.8
293.22607	2.1
295.24023	1.8
304.17963	1.0
311.23633	3.8
313.25354	2.1
335.25916	1.7
339.27271	1.2
345.17035	1.1
351.26752	3.2
369.27902	1.8
379.26523	1.1
389.17752	1.2
404.20300	1.0
405.20883	1.3
405.31564	2.0
411.29059	1.0
415.28513	10.0
417.16379	1.9
417.21341	1.6
418.17456	1.2
419.22226	2.6
421.23645	1.2
423.32675	2.0
431.18240	1.6
431.23090	1.3
432.19342	1.9
433.20004	1.6
433.30875	1.2
435.21765	2.2
443.18555	2.4
445.20346	4.4
446.21365	1.0
447.21857	3.1
449.23337	1.4
451.32098	3.3
459.21994	1.9
461.19324	1.1
462.20407	2.2
463.21075	4.6
469.33163	5.6
473.22949	1.1
475.21188	3.6
476.22266	3.6
477.22961	5.6
478.23160	1.6
483.34869	1.5
487.24457	1.2
489.22885	1.4
491.24463	1.7
494.26459	1.8
495.27463	0.9
501.35529	3.7
506.26773	1.5
520.20819	1.1
531.24097	1.2
532.24677	0.9
533.25873	4.8
534.21991	0.9
535.23077	1.5
545.25671	2.1
547.26715	3.1
549.24939	7.9
550.25452	2.9
561.21606	1.1
563.26544	13.3
564.26459	1.7
591.26056	22.6
592.25934	1.1
593.27081	2.4
605.27094	2.6
605.39490	1.3
623.28320	100.0
623.38922	24.0
624.29224	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	623.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40227	1.0
51.84438	0.9
52.86416	0.9
53.03940	2.7
54.04902	0.9
55.01877	5.0
55.05271	2.2
55.05514	29.3
57.03432	4.9
61.02934	16.7
65.03947	1.5
67.05509	32.9
69.03432	6.4
69.07072	11.5
69.21725	11.3
71.04981	3.8
73.02917	5.6
78.16032	0.9
79.05064	1.7
79.05500	27.2
81.03431	6.2
81.07065	30.3
83.04987	27.7
83.08623	8.0
85.02905	11.0
85.06528	2.2
85.56665	1.0
91.03972	7.5
91.05486	35.1
93.07046	26.6
95.04988	5.9
95.08611	20.8
97.02888	9.6
97.06534	5.6
97.10170	4.5
99.04455	2.1
101.06003	1.5
103.05460	3.8
105.03371	3.4
105.07036	30.5
106.02105	1.0
107.04964	8.9
107.08601	14.4
109.02908	1.3
109.06541	5.5
109.10166	7.6
111.08086	2.3
112.02311	0.9
115.05468	4.8
116.06264	1.3
117.07019	26.9
119.04958	2.6
119.08588	21.0
121.06494	7.7
121.10165	7.9
123.08053	3.6
125.09653	2.6
127.03910	3.4
128.06227	8.2
129.07011	29.5
131.04933	6.4
131.08575	33.8
133.06477	4.5
133.10141	12.4
135.08058	5.9
135.11681	4.0
137.09602	2.4
137.25716	1.1
141.06996	11.5
142.07762	4.0
143.07475	2.0
143.08569	25.9
145.06531	8.9
145.10149	17.3
147.08096	8.0
147.11667	3.7
149.08595	1.2
149.09590	6.7
153.06979	3.8
154.07761	2.6
155.08553	16.9
156.09315	2.3
157.06485	3.3
157.10138	15.3
159.08089	5.3
159.11681	9.9
161.05966	1.3
161.09634	4.7
163.07562	1.7
163.11147	2.0
165.07025	3.4
167.08533	8.4
168.09341	2.4
169.10146	18.8
170.10896	1.2
171.08060	3.5
171.11707	13.3
173.05937	1.2
173.09630	4.5
173.13248	4.2
175.07588	1.2
175.11198	2.6
179.08548	5.2
180.09338	2.8
181.10126	13.1
182.10934	2.1
183.08138	1.7
183.11697	10.5
185.09590	2.8
185.13263	9.8
187.11189	3.3
187.14839	2.2
189.05408	2.2
189.12750	2.0
192.09325	1.9
193.10144	6.3
195.08015	2.0
195.11682	10.0
197.09686	2.5
197.13278	7.4
199.11232	6.4
199.12917	1.3
199.14821	2.5
201.09047	1.4
201.12726	4.4
203.14392	1.7
206.10796	1.4
207.11714	5.5
208.12311	1.1
209.13255	5.2
211.11287	5.2
211.14861	3.4
213.09145	1.4
213.12822	7.0
215.10674	1.5
215.14297	3.5
217.10240	1.4
217.12221	1.5
217.15889	1.4
219.11761	1.9
220.12416	1.6
221.13255	7.5
222.13837	1.8
223.11304	1.6
223.14944	5.4
225.12704	3.1
225.16385	1.8
227.14381	2.4
229.12291	1.5
231.11740	1.8
231.13814	1.7
232.12370	1.6
233.13284	2.7
235.11070	1.5
235.14787	3.5
237.12755	1.9
239.10620	1.4
239.14333	3.8
241.15906	2.2
243.13895	1.8
243.17480	1.6
245.13281	2.4
245.15532	2.1
247.11038	1.7
251.14250	1.3
253.15881	1.7
257.15405	3.4
259.16940	2.2
265.12323	1.1
271.16998	3.8
282.10580	1.2
285.18552	1.7
287.14362	2.0
299.14166	1.4
315.21042	2.1
317.15164	1.4
323.20154	1.5
323.23721	3.9
333.22043	6.4
341.24606	5.4
345.14731	1.6
351.23203	30.6
357.18448	2.6
359.20032	1.8
359.25851	1.2
363.23044	1.3
369.24265	27.3
373.17871	2.1
375.19659	2.3
385.18045	6.3
387.20053	1.9
387.25247	16.3
403.19165	8.2
405.20340	2.9
407.25766	1.7
421.20157	1.7
423.21524	4.6
425.26941	5.6
433.29553	1.5
443.27963	100.0
444.28290	1.5
461.29031	73.7
462.29395	1.5
463.20987	4.1
485.29190	1.5
503.29980	2.1
541.24280	2.2
587.31158	2.4
605.32977	2.7
623.32727	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	623.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93519	3.1
53.03948	6.2
55.01863	3.9
55.05517	17.9
57.07061	9.3
61.33665	3.5
63.01773	3.1
67.05515	37.7
69.03423	21.9
69.07076	34.2
69.38245	28.2
71.04996	9.8
79.05503	20.9
80.45083	3.6
81.03404	10.4
81.07064	74.9
83.04966	14.2
83.08612	14.4
85.02917	26.6
85.06537	9.0
87.00826	10.4
91.05461	14.8
93.07047	40.2
95.04965	23.7
95.08617	80.5
97.02882	12.0
97.06540	17.9
97.10152	9.9
99.04442	4.0
103.05492	3.7
105.01859	13.3
105.07028	43.6
107.08605	62.5
109.02863	11.1
109.06528	17.3
109.09469	4.8
109.10168	57.6
111.04427	14.5
111.08078	8.8
111.11754	4.0
113.02347	4.7
113.04176	3.2
117.07026	10.3
119.08588	45.5
121.06512	8.1
121.10141	43.9
123.08060	11.0
123.11750	21.3
125.06009	27.2
125.09628	4.7
127.03932	15.3
129.06920	4.9
131.04866	4.6
131.08571	10.3
133.06531	4.1
133.10161	24.7
135.08043	10.1
135.11723	31.1
137.05986	4.6
137.09602	9.6
137.13242	10.7
139.11182	4.6
143.08502	4.7
145.04973	6.1
145.06438	3.8
145.10115	27.9
147.08002	9.0
147.11716	18.9
149.09631	9.4
149.13255	13.6
151.07510	6.3
151.11201	6.1
151.14763	4.6
153.09140	4.8
155.08429	4.0
157.10130	8.8
158.66541	3.4
159.11694	16.9
161.09641	8.0
161.13237	20.6
163.11217	9.1
165.09135	5.3
167.06944	5.5
167.10695	5.0
167.79185	3.5
169.10104	7.2
171.11702	4.5
173.04376	5.2
173.09653	5.2
173.13280	7.4
175.07469	4.3
175.14815	21.6
177.12749	4.7
177.16360	9.8
179.10664	4.1
181.12227	6.5
183.11708	4.2
185.13167	6.3
187.11220	7.2
187.14891	17.4
191.17946	11.1
193.12219	6.5
201.16418	16.5
203.14186	5.2
207.05965	3.4
207.13812	4.2
209.18948	18.4
211.14867	5.8
215.37975	3.9
219.17432	6.2
221.15370	9.9
229.15869	11.2
231.05037	5.3
237.18546	48.5
239.16328	20.0
247.16904	30.3
249.06082	4.8
255.19463	7.0
257.22598	6.2
263.20200	8.3
265.17990	100.0
281.17538	10.5
281.21094	20.3
283.19049	29.5
303.23187	7.7
321.24277	55.4
339.25174	6.1
419.19098	3.8
513.22845	5.2
623.27002	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	623.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.4
55.01876	20.1
55.05513	59.8
55.67479	3.5
61.34095	4.2
65.97972	3.7
67.05470	4.9
69.03432	56.7
70.79687	8.6
79.05491	11.8
81.03411	10.6
81.07054	4.7
83.04990	100.0
88.83285	3.6
91.05488	41.2
93.07062	12.0
95.04979	13.8
95.08618	5.2
105.07040	25.7
107.04967	5.6
107.08627	10.3
109.06537	6.5
115.05474	15.1
116.06264	6.0
117.07050	21.7
119.08602	33.7
121.06529	6.4
123.08067	5.0
128.06239	11.0
129.07007	32.4
131.04912	4.9
131.08568	39.8
133.06465	4.2
133.10121	24.2
135.08066	13.7
136.02086	4.6
141.07027	7.7
142.07813	16.2
143.08565	31.5
144.05722	5.9
145.06487	29.1
145.10124	27.8
147.08061	89.3
147.11775	6.3
149.09618	5.0
155.08543	10.8
156.09361	13.2
157.10133	46.9
158.07233	4.0
159.08070	92.2
159.11691	16.2
161.09631	61.3
163.07600	6.2
165.06987	9.6
167.08501	6.0
169.10179	16.8
170.10934	11.4
171.08084	20.9
171.11708	67.4
172.08873	6.3
173.05939	6.4
173.09631	28.0
175.07602	13.8
175.11209	9.3
179.10648	7.1
180.09410	4.5
181.10121	11.3
183.08070	8.8
183.11710	29.9
185.09610	24.5
185.13255	44.5
187.07503	7.6
187.11241	12.5
189.09221	6.8
189.12726	7.7
195.11763	6.4
197.09651	11.5
197.13248	9.5
198.10408	6.5
199.11174	19.8
201.12794	10.4
203.14311	4.2
206.11095	4.5
207.11729	5.9
209.13258	6.0
211.11307	10.4
213.09271	6.1
213.12773	50.9
215.10782	7.7
217.12318	13.8
221.09750	6.5
229.10179	6.3
229.12256	8.6
231.10172	14.2
231.13857	16.8
233.09482	4.0
233.13293	7.5
233.15384	8.2
235.11212	4.9
237.12888	8.3
241.12317	9.6
243.13795	9.7
245.15401	26.8
246.10371	5.9
247.13344	4.5
249.12819	5.4
259.10950	5.5
259.13333	8.8
260.11996	6.0
261.12793	10.3
263.16464	11.1
269.13123	4.4
271.11124	4.6
272.12103	5.9
273.12360	7.9
273.15009	21.4
275.14182	9.8
277.15936	5.4
281.13083	4.3
282.86102	3.7
283.11063	4.9
285.12909	7.2
286.13577	5.0
287.14197	8.9
289.12228	8.9
289.16095	5.3
291.15884	6.9
296.11633	3.9
297.12921	6.4
299.11050	4.6
299.14297	9.6
301.15845	12.8
303.14035	4.6
303.17319	5.8
305.15036	4.1
311.14175	4.9
312.15021	7.4
313.15955	6.9
314.13004	3.7
314.16672	6.3
315.17484	16.5
317.15701	5.7
317.19193	7.2
323.16721	4.6
325.12506	5.2
325.16110	4.8
327.13763	7.4
327.17410	17.8
329.15585	9.3
329.19095	6.7
331.13083	4.0
331.20358	4.9
333.18707	4.8
341.18961	17.5
343.17032	7.5
345.18542	16.4
357.18677	14.7
359.20050	14.1
361.18271	6.6
369.18597	11.9
377.20938	4.8
387.19653	20.6
389.21112	12.0
391.22638	12.0
401.21161	17.6
405.20654	33.9
419.22165	36.0
437.23215	55.7
447.50983	5.2
491.24387	7.2
504.16095	4.8
505.25873	9.9
509.25488	5.3
523.27350	7.7
537.28613	5.0
591.29529	18.9
605.30927	17.7
606.31671	5.2
621.42639	4.8
623.29993	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	623.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.01867	4.4
55.05513	72.7
56.56915	2.1
57.03435	3.2
61.02927	4.2
67.05503	15.6
69.03425	6.1
69.07064	5.7
69.20975	18.3
71.06297	1.8
79.05500	19.8
81.03409	11.6
81.07061	16.4
81.58512	2.0
82.86945	1.8
83.04985	100.0
83.08625	4.5
85.02883	4.6
91.05475	25.8
93.07042	15.2
95.04977	10.2
95.08595	9.5
97.02886	4.6
97.06512	3.2
97.10172	2.7
103.05461	7.4
105.03385	6.4
105.07043	22.3
107.04970	5.2
107.08624	9.9
109.02930	1.8
109.06525	4.2
109.10149	4.9
111.04443	2.5
115.05463	5.6
117.07036	14.5
119.08578	18.2
121.06514	7.3
121.10152	6.0
123.08066	2.6
125.09576	2.7
127.03892	3.0
128.06232	4.9
129.07005	9.9
130.07797	1.8
131.04900	12.2
131.08568	16.9
133.06482	14.0
133.10133	14.7
135.08046	9.3
139.03804	2.0
141.07021	3.3
142.07806	4.3
143.08542	14.8
144.09314	2.1
145.06497	11.3
145.10127	11.1
147.08044	15.0
147.11685	3.3
149.05997	3.7
149.09598	4.4
153.06984	4.0
155.08560	5.3
156.09283	4.8
157.10110	15.9
159.08087	10.3
159.11711	10.5
161.05949	4.2
161.09601	4.1
163.07614	2.4
163.11163	4.1
167.08530	3.0
168.09259	2.2
169.10129	9.6
170.10912	4.8
171.08044	7.8
171.11668	18.4
173.09630	5.9
173.13295	2.6
177.09052	3.2
179.08546	5.4
180.09406	3.7
181.10068	8.6
183.08047	4.6
183.11696	15.4
185.09622	7.1
185.13170	11.8
187.11171	5.7
189.09149	2.9
192.09200	2.6
193.10149	5.2
193.12247	3.4
195.11687	6.8
196.12375	2.3
197.09561	4.4
197.13239	5.8
198.10213	2.5
199.07555	2.2
199.11182	7.8
201.09146	3.4
201.12741	5.2
203.10510	2.6
205.10274	4.0
205.12216	2.4
206.10927	6.0
207.11641	6.3
209.09613	3.0
209.13353	6.2
211.11230	3.6
211.13202	3.0
213.12776	13.0
213.16336	1.8
215.08568	2.1
215.14293	2.6
217.12132	3.9
219.11707	4.6
221.13242	7.3
223.11188	4.9
223.14812	4.3
225.12749	4.9
227.10725	2.1
229.10112	2.9
229.12173	2.8
231.11665	5.1
231.13774	4.7
232.12436	2.7
233.13210	5.1
233.15340	2.6
235.11253	4.6
235.14781	5.0
237.12762	4.3
237.16351	2.4
239.10515	2.7
241.12360	3.0
243.11603	4.0
244.12447	5.6
245.13358	4.5
245.15433	6.4
246.13983	4.0
247.11115	4.0
247.14926	4.5
248.11832	2.2
249.12714	2.6
249.16533	3.1
251.14311	2.6
255.11685	2.5
256.12479	2.0
257.13242	5.3
258.14072	2.5
259.11090	3.2
259.15091	4.0
261.12680	3.1
261.16403	2.5
268.12537	2.3
269.13086	3.5
270.14020	2.5
275.14273	2.7
275.17932	3.7
279.17438	3.3
283.14612	2.3
285.16501	2.4
287.14212	4.2
287.18039	2.6
288.15054	2.2
289.15982	4.6
299.14423	2.3
301.15793	5.5
303.17413	5.7
307.17242	2.8
315.13715	2.4
315.17609	4.2
317.15527	2.1
317.18973	2.9
321.18512	3.5
329.15225	2.8
331.16846	3.7
333.14651	3.4
333.18359	3.0
343.17014	3.0
345.18301	4.4
347.16202	4.6
351.23248	3.5
357.18579	2.6
359.20071	6.2
361.17993	1.9
363.19824	2.8
369.24277	5.2
373.18185	3.5
375.19748	8.9
377.20950	6.9
387.19635	17.1
391.18808	3.2
395.22061	4.5
403.19095	1.9
405.20511	28.3
423.21661	53.7
443.27985	11.6
461.28992	41.4
505.25909	6.5
518.53369	1.9
523.26825	3.8
587.31323	2.8
591.29486	2.3
605.27002	13.0
623.23926	3.1
623.34888	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	623.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01874	18.9
55.05516	27.5
61.36140	2.4
65.03928	2.8
67.05507	5.3
69.03426	10.4
79.05487	10.6
81.03407	13.0
81.07044	4.8
83.04989	36.8
83.94153	2.5
91.05492	35.1
92.72766	2.3
93.07040	11.9
95.01343	2.8
95.04953	7.6
95.08601	5.0
103.05469	4.6
105.07034	28.6
107.04283	2.4
107.04968	7.3
107.08589	7.1
109.06493	7.6
115.03972	5.2
115.05437	12.6
116.06248	3.1
117.07023	25.1
119.08588	40.0
121.06518	6.4
121.10190	5.0
128.06207	10.3
129.07024	33.5
130.07777	3.9
131.08572	27.7
133.06511	4.1
133.09148	2.4
133.10135	43.2
135.08051	9.1
141.06961	6.9
142.07791	9.9
143.08577	22.8
144.05652	3.2
144.09302	2.6
145.06465	24.7
145.10138	20.4
146.07289	3.4
147.08054	100.0
149.09618	10.8
155.08508	13.6
156.09354	22.5
157.06558	4.5
157.10136	37.6
159.08069	37.9
159.11693	24.8
161.09624	45.4
163.07564	44.2
163.11182	7.1
165.06987	5.1
166.07732	3.9
167.08582	6.8
168.09309	4.6
169.10132	17.9
170.10895	15.0
171.08031	9.9
171.11707	76.4
172.12247	2.8
173.05975	8.2
173.09647	33.7
173.13243	8.6
175.07588	12.4
175.11205	7.2
181.10103	8.5
182.10899	3.8
183.08142	5.6
183.11688	46.3
184.08836	3.8
185.09641	19.0
185.13266	68.3
187.11183	13.5
189.09180	5.1
189.12756	2.8
191.08650	3.1
192.09360	4.6
193.10159	6.2
195.11763	15.3
197.09618	9.4
197.13293	15.7
198.10428	5.7
199.11163	23.6
201.09113	11.2
201.12752	5.7
203.10661	5.5
205.12183	4.7
207.11835	3.6
207.13792	2.9
209.09503	3.8
209.13208	5.2
211.11197	11.1
213.09198	3.3
213.12758	48.1
215.10681	5.1
215.14246	3.2
217.12283	4.8
219.11801	3.2
221.09518	3.8
221.13329	3.0
223.11218	10.8
223.14795	3.7
225.09061	3.8
225.12662	5.7
227.10695	7.1
229.12184	5.5
231.13837	8.4
233.13332	4.3
233.15352	5.3
235.11127	2.9
237.12712	6.0
241.12213	20.1
243.11650	4.1
243.13922	8.4
244.12593	3.6
245.15385	32.4
251.14360	3.9
255.13792	12.1
257.13168	4.1
257.15518	6.2
259.13202	14.9
261.12732	3.4
263.16556	5.7
269.13196	4.2
273.12424	5.2
273.14853	36.8
275.14310	5.3
280.12381	3.4
283.11301	4.1
283.14633	4.9
284.15671	2.8
285.12601	2.7
287.14258	6.9
297.12704	5.8
301.15735	5.8
311.14252	3.6
312.14960	5.5
313.15735	4.1
315.17429	8.7
317.15454	3.6
317.19009	9.0
326.16605	2.6
327.17511	17.1
328.17798	2.6
329.18918	4.1
331.20541	3.8
341.18997	12.5
345.18451	10.7
357.18542	4.3
359.19922	12.9
361.17941	2.9
369.18439	8.8
375.19818	3.1
377.21280	4.2
385.89020	2.5
387.19470	20.1
389.21036	7.1
391.22580	12.5
401.21234	29.7
402.20880	2.8
405.20749	5.9
407.22321	5.6
411.53168	2.6
419.22183	49.9
437.23019	8.1
501.26508	3.2
505.25754	7.5
519.27209	3.5
591.29559	8.7
605.31134	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.5
53.03949	3.8
53.80486	1.1
55.01877	18.7
55.05268	1.8
55.05516	31.4
57.03412	1.3
65.03944	1.2
67.05518	6.7
69.03428	11.5
69.07063	3.1
74.00212	1.2
79.05488	12.9
81.03421	16.9
81.07056	6.8
83.04983	42.1
87.04477	1.7
91.05486	38.3
93.07051	12.7
95.01345	1.7
95.04974	11.8
95.08599	4.9
97.06522	2.1
98.20702	2.5
103.05471	5.2
105.06383	2.5
105.07036	26.2
107.04961	8.0
107.08589	10.8
109.06550	6.0
109.10202	2.0
115.03931	4.0
115.05458	12.4
116.06236	2.9
117.07026	29.9
119.04937	2.3
119.08582	39.6
121.06509	5.6
121.10133	6.3
128.06244	10.2
129.06999	28.2
130.07747	3.6
131.04897	1.6
131.07607	1.6
131.08569	25.3
132.05696	2.0
133.06447	5.8
133.10135	30.6
133.11012	1.1
135.08038	6.8
140.48947	1.1
141.06981	6.7
142.07784	12.1
143.08556	26.0
144.05769	1.9
144.09358	1.6
145.06480	19.5
145.10118	19.6
146.07329	1.8
147.08054	100.0
147.11684	4.4
149.09615	10.7
150.85634	1.4
153.07034	3.0
154.07828	2.6
155.06046	2.4
155.08537	10.2
156.09335	16.4
157.06520	4.2
157.10124	42.5
158.07268	4.8
158.10869	2.1
159.08064	41.5
159.11687	24.2
161.05972	3.7
161.09621	33.1
161.13278	2.7
163.07550	63.6
163.11186	5.8
165.06987	4.3
165.09142	1.9
166.07791	3.7
167.08562	6.5
168.09372	3.5
169.10129	19.4
170.10921	12.9
171.08098	10.5
171.11684	64.8
172.08838	1.8
173.05968	9.6
173.09630	27.5
173.13232	9.3
175.07532	16.3
175.11191	6.7
179.08559	3.2
179.10628	1.5
180.09328	3.1
180.25830	1.4
181.06432	2.0
181.08699	1.8
181.10065	7.5
182.07323	1.5
182.10913	3.4
183.08087	4.3
183.11693	47.6
184.08864	2.7
185.09657	16.9
185.13248	50.6
186.10292	1.5
187.07555	4.2
187.11209	12.4
187.14815	1.6
189.09145	4.1
189.12779	3.4
191.08633	1.6
191.10564	1.3
192.09305	1.7
193.10188	5.6
195.11674	12.7
196.08878	2.6
197.09619	11.5
197.11577	2.0
197.13239	15.6
198.10414	3.0
199.07594	2.8
199.11194	22.1
200.11980	3.2
201.09088	10.6
201.12724	7.1
203.10663	3.4
203.14359	3.4
203.76811	1.2
205.10306	1.9
205.12236	4.4
207.11731	5.0
208.08830	1.6
209.09569	4.4
209.13228	3.4
210.10434	1.6
211.11191	8.0
213.09206	3.4
213.12744	44.4
215.08827	1.5
215.10701	5.7
215.14378	3.9
217.10190	2.5
217.12263	7.0
218.10901	2.2
219.08116	1.4
219.11699	3.7
220.12473	2.6
221.09743	1.6
221.13245	4.7
222.10431	2.0
223.11189	8.3
223.14835	3.5
225.09088	2.5
225.12732	2.1
227.10678	5.2
229.10274	2.4
229.12280	6.6
230.10953	2.5
231.11880	2.1
231.13811	9.2
232.12390	1.6
233.09647	2.9
233.13257	4.5
233.15427	4.3
235.11142	3.2
235.14876	2.4
237.12836	4.9
239.10693	2.7
241.12256	16.2
243.11638	3.3
243.13864	9.3
244.12511	2.6
245.11473	2.1
245.13286	1.7
245.15382	29.3
246.10367	1.9
246.14151	1.4
247.11145	2.0
247.15038	2.5
249.09453	1.4
249.12744	4.7
249.16331	1.5
251.14377	3.0
253.12317	1.5
255.13820	14.0
256.12408	1.6
257.13162	2.2
257.15393	5.5
259.10956	2.7
259.13138	12.8
260.11740	1.9
261.12744	2.8
263.14111	2.7
263.16568	6.0
269.13315	3.5
270.14050	2.4
271.10895	1.8
271.13596	1.4
271.15005	2.0
272.11819	1.7
273.14899	29.0
274.13303	1.8
275.14233	2.6
275.20010	1.4
279.13867	1.9
283.11273	1.5
283.14752	2.4
284.11880	1.8
284.15500	2.8
285.12726	3.3
286.13553	2.4
287.11002	1.5
287.14069	5.8
289.15796	3.0
291.16046	4.9
293.15424	2.3
294.14081	1.4
297.12759	5.3
298.13443	2.5
299.14111	2.2
299.17773	2.1
300.15076	2.7
301.15927	2.9
303.13824	1.9
303.17178	2.4
305.15396	1.6
309.15988	1.8
311.14166	3.1
312.15097	6.1
313.15909	4.8
313.19324	1.4
315.17355	8.6
317.19086	6.3
319.16882	1.5
325.15909	1.9
326.16748	3.9
327.17487	15.3
328.18188	2.1
329.18921	2.2
331.20599	4.0
333.18478	2.8
341.19138	12.3
345.18478	9.3
347.20074	1.6
357.18625	6.8
359.20053	14.3
361.17798	2.1
363.19437	3.1
369.18607	7.8
375.19485	2.1
377.21176	3.3
379.18741	2.4
387.19580	21.0
389.20996	8.2
391.22580	8.7
392.98526	1.5
401.21109	21.3
405.20682	6.6
407.22290	7.2
409.23773	1.4
419.22241	38.9
437.23328	9.4
487.24670	3.5
491.24292	5.7
505.25717	6.8
509.25043	2.2
523.26996	2.4
563.25635	1.7
591.21881	5.5
591.30359	10.0
605.30859	4.6
623.28784	1.7
628.79718	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.8
55.01861	8.0
55.05511	44.9
67.05498	37.6
69.03430	40.4
69.07076	36.7
71.04987	17.9
79.05512	31.6
81.03396	27.4
81.07058	54.4
83.04980	50.7
83.08600	20.5
85.02884	14.0
85.06565	9.6
87.04433	13.4
91.05478	59.2
93.07057	53.6
95.04980	13.2
95.08615	52.9
97.06538	50.6
98.20732	18.7
99.04442	13.6
103.05471	13.5
105.03400	15.3
105.07037	98.1
107.04945	8.1
107.08602	71.1
109.06500	20.7
109.10165	37.2
111.08081	10.8
115.03932	7.0
115.05449	15.7
117.05838	7.1
117.06992	30.6
119.08579	100.0
121.06511	13.4
121.10159	54.0
123.08037	8.5
123.11671	18.7
125.05965	7.1
128.06209	6.2
129.07010	17.8
131.04913	10.2
131.08568	72.9
133.06456	12.3
133.10139	80.4
135.08055	13.2
135.11665	21.1
137.09573	13.3
139.07558	24.2
141.07013	9.7
142.07758	23.9
143.08542	56.6
145.06467	7.5
145.10133	77.2
147.07982	17.3
147.11713	45.7
149.09657	14.0
149.13217	8.0
155.08554	31.3
156.09299	9.1
157.10135	72.6
159.08028	16.9
159.11699	65.6
161.05905	7.4
161.09633	26.7
161.13225	18.6
165.09114	11.5
167.08536	10.0
168.09256	10.7
169.10117	46.2
171.08020	10.1
171.11710	74.6
173.04457	7.6
173.09645	15.2
173.13264	59.4
175.11192	11.8
177.09059	18.0
179.08548	8.5
179.10648	11.1
181.10170	15.2
183.10204	10.5
183.11681	62.5
185.08061	25.3
185.09679	17.3
185.13252	45.1
187.11172	8.6
187.14807	22.9
189.09146	7.7
189.12814	8.2
191.10646	12.7
193.12265	11.9
195.10141	7.3
195.11685	28.1
196.12422	10.8
197.11612	8.1
197.13240	30.5
199.11221	11.3
199.14812	19.2
201.12761	12.8
203.10640	9.7
205.12268	9.8
209.11520	10.4
209.13321	32.9
211.11108	12.7
211.14833	25.3
213.12686	16.6
213.16316	8.3
215.14389	15.7
217.12270	10.3
219.13887	12.4
220.12299	6.7
221.13298	16.2
223.14899	14.9
225.16324	12.7
229.12221	14.1
231.13783	19.8
233.15338	21.5
235.14822	11.5
237.16568	14.5
239.14153	7.7
239.17969	12.8
251.17819	12.2
265.15765	9.3
281.18887	8.8
287.19989	30.5
291.21008	11.3
325.17776	7.5
327.19424	8.4
327.23135	18.6
351.23331	8.4
353.24734	8.2
355.22897	8.2
359.33966	7.4
369.24426	8.3
373.23453	14.3
377.24539	16.8
381.24234	29.3
395.25681	31.6
399.25146	27.7
403.19339	7.8
405.24432	9.2
413.27039	16.4
417.26025	10.4
423.25897	37.5
429.26453	11.1
441.26413	81.6
443.28244	10.4
459.27423	40.0
461.28931	24.6
521.27808	7.9
623.26465	10.7
623.34424	12.5
637.92651	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	623.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.5
55.05516	65.0
64.44915	8.5
67.05489	32.5
69.03423	38.0
69.07069	24.9
70.24225	26.3
73.04104	8.5
74.77146	9.6
79.05509	44.0
81.03418	20.7
81.07050	66.5
83.04971	86.0
83.08624	10.4
85.02911	11.0
87.66785	8.8
91.05482	55.1
93.07064	45.2
95.04961	22.1
95.08588	50.4
97.06550	43.5
103.05474	36.8
105.03383	25.2
105.07051	82.4
107.08607	79.4
109.06532	20.3
109.10170	20.7
115.05479	12.7
117.07015	20.2
119.08589	98.6
121.06541	11.9
121.10161	52.4
123.08076	19.4
123.11704	16.8
125.09636	10.0
125.15182	11.0
128.06224	12.3
129.07056	17.4
130.07794	8.4
131.04973	72.1
131.08580	85.4
133.06493	17.2
133.10129	78.0
135.08026	15.6
135.11670	19.8
137.06013	10.6
137.09651	9.5
139.07552	29.0
142.07779	20.2
143.08572	55.0
145.10133	100.0
147.08061	20.4
147.11708	43.6
149.09631	18.4
155.08525	31.2
156.09363	16.0
157.10143	95.6
159.08070	23.8
159.11748	48.5
161.09604	22.6
161.13252	15.4
163.07590	12.0
163.11168	9.9
165.07030	13.4
165.09077	17.6
169.10168	42.4
170.10899	15.1
171.08127	11.3
171.11673	98.8
173.09607	18.4
173.13303	49.6
175.11205	10.7
175.14851	10.5
177.09167	15.6
179.10680	27.4
181.10138	27.0
183.10159	13.6
183.11670	60.9
185.08096	17.0
185.09607	14.7
185.13216	59.4
187.11180	16.2
187.14894	25.5
193.10094	10.6
195.10121	9.1
195.11736	36.0
195.13683	12.0
196.12503	11.2
197.13225	44.1
199.11186	20.2
199.14850	21.9
201.09171	9.9
201.12752	17.8
203.10689	19.5
207.11751	22.1
208.12512	12.3
209.09642	13.1
209.11543	14.1
209.13266	29.1
211.11256	13.9
211.14793	32.5
213.12717	14.2
215.14435	19.7
217.12338	13.9
219.11765	9.3
219.13757	17.4
223.14798	20.4
225.16229	12.4
225.88287	8.3
227.14230	15.1
231.13795	24.5
233.13416	11.5
233.15472	18.4
237.16417	12.8
239.14359	10.4
243.13820	19.1
245.15440	17.3
251.14375	11.3
251.17949	13.8
263.14114	10.1
265.19321	10.3
287.20160	22.1
293.19055	11.6
327.23093	18.4
336.15247	11.5
339.19562	13.9
341.21219	21.0
354.92322	11.4
357.18982	9.5
377.24933	13.3
381.24271	29.9
385.17783	13.6
387.19366	11.2
395.25748	31.5
399.25439	18.9
403.19492	12.2
405.24365	12.2
411.25525	10.4
413.26779	18.7
423.25903	49.2
433.58890	9.8
439.21228	17.4
441.26538	72.0
443.27655	13.5
459.27512	63.9
461.28738	31.4
481.54285	10.3
521.27435	13.9
623.28168	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	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
55.05510	1.1
67.05502	2.9
69.07085	0.7
70.94415	0.6
79.05505	2.5
81.07056	2.4
83.04959	0.4
83.08630	0.7
85.79228	0.3
91.05487	2.7
93.07043	2.2
95.08622	1.6
97.10192	0.3
105.07038	1.9
107.08608	1.1
108.04967	0.3
109.10168	0.6
117.07008	2.1
119.08588	2.1
120.08141	0.4
121.10172	0.9
125.09689	0.4
129.06998	0.9
131.08600	1.3
133.10124	0.8
135.11699	0.4
143.08571	0.5
145.10133	1.3
147.08066	0.5
147.11713	0.6
151.18661	0.3
155.08568	0.3
157.10161	0.9
159.11755	0.4
161.09598	0.3
163.11224	0.4
169.10201	0.5
171.11720	0.6
173.09657	0.5
173.13333	0.5
175.11340	0.4
181.10220	0.4
183.11775	0.6
197.10838	0.3
197.13226	0.3
201.26207	0.3
209.10880	0.7
211.12592	0.4
223.08852	0.3
223.12262	0.5
235.08807	0.3
235.12163	0.4
237.10226	0.6
237.13905	0.3
249.10271	0.5
257.19064	0.4
271.16779	0.5
273.18613	0.4
275.20096	0.4
305.09784	0.3
306.78702	0.3
314.16577	0.4
330.16248	0.3
331.22910	0.4
349.24005	0.3
375.16800	0.3
377.17670	0.7
379.85364	0.4
388.17172	0.5
389.17706	0.9
390.14047	0.4
390.18747	0.7
391.19272	1.1
393.21048	0.4
401.17807	0.6
402.18384	0.8
403.19461	1.2
404.15851	0.5
404.20297	1.0
405.21365	2.3
406.21674	1.0
407.22589	0.4
415.19409	0.9
416.20319	0.7
417.16882	1.1
417.20975	1.4
418.17776	1.1
418.22247	0.6
419.18668	2.3
419.22839	1.5
420.19156	0.5
421.24384	1.7
429.17130	1.0
430.17560	0.5
431.17764	2.0
431.23080	0.9
432.19531	1.1
433.19492	3.4
433.24933	1.0
434.21072	1.2
435.21750	1.1
443.18732	1.2
444.19528	0.9
445.20239	4.3
446.21512	1.9
447.17145	0.8
447.22845	3.0
448.23074	1.6
449.23444	5.3
457.20071	0.5
458.21222	1.1
459.21878	8.2
460.22882	1.5
461.19647	1.7
461.23996	1.2
462.20694	1.2
463.21127	1.5
465.22971	0.4
471.21426	0.4
473.23386	0.9
475.20599	1.8
476.22147	4.4
477.22958	3.9
489.23111	1.9
490.23837	0.6
491.20212	0.4
492.25925	0.5
493.22134	0.5
503.24600	1.0
507.27615	0.4
508.25055	0.7
519.23688	2.3
521.21753	0.9
531.23798	0.8
533.25513	2.9
535.27789	3.2
536.23871	0.6
545.25500	3.4
546.26025	0.6
547.27161	4.3
548.24451	0.5
549.25232	0.9
563.26538	18.2
564.27045	0.6
576.23969	0.4
577.28021	0.6
578.25238	0.4
591.26123	1.6
593.27509	0.6
595.28662	0.8
605.27667	4.8
605.42480	0.9
606.28363	16.3
608.26337	0.5
623.28650	100.0
623.42841	3.2
624.28888	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.3
58.76910	0.3
61.94024	0.3
62.94897	0.2
67.05521	1.3
69.07059	0.4
69.73870	1.4
75.20286	0.2
79.05491	1.5
79.05901	0.3
81.03423	1.9
81.07056	1.7
83.04991	0.4
83.08660	0.5
91.05482	1.7
93.07058	1.2
94.06540	0.3
95.04971	0.5
95.08608	1.2
97.10220	0.3
98.20785	0.6
103.05460	0.3
105.07040	1.3
107.08594	0.9
109.10124	0.5
116.54545	0.3
117.07056	0.8
119.08601	0.7
121.10159	0.5
122.09698	0.3
125.09644	0.4
129.07047	0.5
131.08607	0.8
132.08099	0.3
133.10164	0.5
145.06532	0.6
145.10178	0.5
157.10167	0.4
159.08073	0.4
159.11758	0.3
161.05978	0.6
161.09676	0.3
169.10170	0.5
171.11769	0.3
173.05960	0.4
182.08392	0.3
183.09267	0.5
184.09937	0.3
195.09151	0.7
196.09970	0.9
197.10765	0.9
207.09174	0.6
208.09836	0.4
209.10718	4.2
210.11435	2.2
211.08745	0.6
211.12389	2.3
212.13025	0.3
221.07176	0.3
221.10739	0.7
222.11314	0.6
223.08678	0.9
223.12282	4.0
224.09547	1.0
224.13060	4.8
225.10286	1.2
225.13873	2.3
235.08658	0.6
235.12421	0.8
236.09473	0.7
237.10258	2.0
237.13914	3.2
238.11021	0.5
238.14676	1.1
239.11873	0.4
239.15448	2.3
247.12335	0.4
249.10349	0.9
249.14088	0.3
250.11044	1.2
251.08226	0.7
251.11842	1.1
252.12704	0.7
253.13438	0.8
263.08353	0.3
263.11926	0.3
263.15433	0.4
264.09183	0.4
265.09683	0.5
265.13425	2.4
266.14395	0.4
267.11539	0.4
267.14960	0.7
271.13330	0.5
271.16995	0.4
273.14767	0.4
275.15543	0.3
275.20203	0.5
277.09741	0.9
279.11240	0.5
281.12720	0.3
283.10760	0.4
287.14719	0.3
296.11493	0.7
297.12534	0.5
299.15332	0.4
300.15366	0.5
301.16049	0.3
302.16949	0.4
305.09216	0.3
305.54828	0.3
309.12399	0.6
311.13879	3.2
312.14819	0.7
323.10468	0.4
326.16711	0.5
337.11856	0.6
338.12778	0.5
339.13776	0.6
340.14536	0.4
340.18253	0.4
341.16141	0.4
349.49860	0.3
352.14615	0.4
377.17548	0.4
388.20654	0.5
391.19299	1.0
392.20279	0.6
393.20615	0.6
403.15329	0.4
404.16089	0.5
404.20554	0.3
405.16516	0.5
405.20859	0.6
406.22046	0.3
407.22733	0.4
416.17157	0.4
417.16980	0.8
417.21594	0.5
418.17819	1.1
419.18179	1.8
419.23569	0.5
420.19266	0.6
422.15222	0.3
431.19022	0.6
432.19403	1.1
433.20050	2.1
434.21210	0.4
445.20499	0.6
446.16830	0.5
447.17938	0.9
447.22916	0.6
448.23340	0.6
449.23517	0.9
456.18362	0.3
459.17996	0.3
461.18909	1.3
462.20587	0.4
463.21448	1.1
473.20050	0.5
474.20660	0.4
475.21152	1.4
476.22208	2.8
477.22971	2.7
486.19925	0.5
489.23032	1.2
490.23645	0.4
499.21304	0.7
503.24701	0.8
504.21304	0.5
505.22510	0.6
507.28262	0.5
517.22577	0.3
520.24951	0.7
521.22314	0.4
521.25000	0.4
522.26373	0.5
531.23871	1.0
533.22107	1.0
534.22864	0.8
535.26697	2.7
545.25458	0.8
547.23346	0.3
548.24286	3.1
549.24701	0.5
563.26514	23.0
564.27203	0.5
591.26050	5.9
595.28961	1.4
605.23889	1.8
605.41663	0.4
608.25916	0.5
623.28687	100.0
624.29370	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08750	0.2
67.05522	0.6
68.09502	0.2
69.34459	0.6
69.34856	1.9
79.05483	0.3
79.60643	0.2
81.07070	0.3
91.05478	0.4
93.07059	0.5
95.08598	0.3
98.20737	0.5
124.04073	0.3
127.67545	0.2
129.61467	0.3
189.07103	0.3
223.12105	0.3
242.12167	0.2
278.74512	0.3
324.15042	0.3
343.95166	0.3
354.12311	0.3
375.16046	0.4
376.95230	0.3
377.17920	0.4
389.17706	0.6
390.18716	0.7
391.19293	1.0
392.20126	0.3
401.17819	0.9
402.18542	0.8
403.19287	1.4
404.20273	0.5
405.16263	0.4
405.21198	1.7
406.21655	0.5
407.22174	1.3
415.19592	1.3
416.20053	0.8
417.17068	1.3
417.21002	1.4
418.17841	0.8
419.17542	0.5
419.22940	2.5
420.23358	0.8
421.24039	0.3
429.20935	0.8
430.18008	1.2
431.17984	2.8
432.18863	1.2
433.20282	4.9
434.20993	0.8
435.22025	0.5
443.18182	1.4
444.18948	1.9
445.19843	3.5
446.21259	2.4
447.21951	4.4
448.22815	1.3
449.23264	0.8
457.20419	0.9
458.20892	4.7
459.21780	4.7
460.22989	2.9
461.19397	0.7
462.20465	0.4
463.21405	1.3
465.23065	0.4
472.22971	0.4
473.23633	1.2
475.20776	1.4
476.21640	2.2
477.22925	2.3
485.23593	0.7
487.24692	0.3
489.18384	0.3
489.23621	0.3
490.23633	0.4
491.24551	0.7
503.24387	0.4
504.25647	0.3
505.22232	0.7
507.27222	0.4
517.21820	1.4
518.23041	3.7
519.24054	0.4
521.21906	1.0
530.23279	0.6
531.23859	0.6
532.24957	0.6
533.25580	6.4
535.27856	1.2
536.24017	0.9
545.25635	2.7
546.26392	0.9
548.23657	0.4
550.25256	0.3
563.26416	7.1
564.27234	0.5
573.25049	1.0
577.27795	0.8
590.25824	0.4
591.25934	0.4
605.27631	9.8
606.27954	0.5
623.28644	100.0
624.28845	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.05516	1.1
60.84829	0.3
67.05514	1.4
69.07073	0.6
79.05504	1.2
81.03429	0.7
81.07068	1.6
83.04987	0.6
86.08824	0.3
91.05496	1.9
93.07040	1.6
95.04983	0.4
95.08632	1.2
97.06552	0.4
98.21532	0.5
105.03386	2.0
105.07001	1.3
107.08625	0.9
109.06466	0.4
109.10210	0.6
117.07050	1.1
118.67427	0.3
119.08589	1.1
121.06423	0.3
121.10133	0.5
129.07013	0.5
131.04977	0.4
131.08621	0.9
133.10199	0.8
143.08603	0.8
145.10158	0.9
147.08133	0.6
149.09612	0.3
155.08611	0.3
157.10205	0.8
159.08086	0.4
159.11723	0.4
163.07597	0.3
169.10188	0.6
171.11771	0.7
173.09593	0.3
173.13364	0.4
183.11739	0.5
185.13330	0.4
197.13449	0.3
208.09871	0.3
209.10805	0.5
215.14410	0.4
235.12376	0.3
237.13872	0.4
275.20193	0.7
312.14996	0.3
375.16290	0.4
389.17889	1.0
390.18497	0.4
391.19449	0.4
401.18140	0.5
402.18668	0.9
403.19507	2.2
404.20120	0.9
405.20920	1.6
415.19434	1.0
416.20325	0.6
417.17142	1.5
417.21924	1.9
418.17233	0.4
418.21848	0.8
419.22653	3.7
420.23373	0.4
421.20178	0.6
428.16315	0.3
429.16934	0.5
431.18597	2.0
431.22714	2.2
432.18933	1.4
433.20407	2.0
435.22116	0.7
443.18408	2.6
444.19592	1.1
445.20190	7.4
446.21042	4.3
447.22620	3.6
448.19000	0.3
449.23953	1.5
457.20642	1.1
458.21072	0.7
459.22107	2.5
460.22638	0.5
461.19153	1.5
462.20404	1.8
463.21133	1.7
464.21603	0.3
471.22562	0.3
473.23630	0.8
475.20807	1.5
476.22031	4.5
477.22928	5.4
478.23315	0.5
489.22943	2.4
490.23911	0.7
491.20615	0.5
491.24579	0.4
501.23282	0.4
503.20078	0.4
503.24829	0.4
504.25507	0.6
505.22122	0.5
505.26324	0.5
507.19821	0.3
517.22595	0.5
521.22247	1.0
531.24133	0.4
533.25543	12.8
534.25970	0.4
535.24164	1.8
545.25873	1.2
549.24725	0.6
561.25226	0.4
563.26593	18.1
587.43158	0.3
591.25531	0.6
592.26941	0.5
593.27509	4.1
594.25201	0.4
605.27606	1.7
605.42145	0.4
623.28729	100.0
624.29041	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	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70507	1.0
199.12402	0.3
209.10748	0.5
211.12329	0.5
223.12271	0.4
224.12769	0.4
237.13637	0.4
314.59445	0.3
347.12570	0.3
377.17581	0.8
378.18710	0.6
388.17987	1.0
389.18182	1.2
390.18631	1.0
391.19244	3.0
392.19977	2.1
393.20990	1.7
399.16125	0.9
400.16968	1.0
401.17792	1.2
402.19083	0.8
403.19644	1.0
404.20630	1.1
405.20984	3.5
406.21530	3.5
407.22382	9.4
412.18042	0.5
413.17786	1.2
414.18225	1.9
415.19302	3.8
416.20166	0.5
417.20908	0.8
418.22183	0.5
419.17667	0.5
419.23053	1.7
420.23074	2.0
421.23978	9.5
422.24554	2.3
426.18607	0.4
427.19223	1.4
428.20203	2.5
429.20819	9.6
430.22150	2.2
431.22913	0.9
432.19308	0.6
433.20016	1.3
433.24255	1.0
435.21503	0.5
442.21628	1.5
443.22656	5.8
444.23624	3.5
445.19971	1.6
446.21143	0.4
447.17462	0.6
448.18759	0.6
449.23300	0.5
455.18695	1.3
456.19269	0.9
457.24963	3.1
458.25116	4.7
459.21811	6.8
460.22720	1.3
461.19003	3.8
462.20734	1.3
463.21155	0.7
470.21036	1.1
471.21643	1.4
472.22641	5.8
473.18649	0.5
473.23639	1.4
474.19885	0.4
475.21133	5.4
475.26434	0.4
476.21841	3.6
477.22769	3.0
478.23511	0.6
483.17709	0.6
484.19202	1.0
485.23560	12.5
486.20377	2.7
486.24567	1.6
487.21384	1.5
488.22107	1.4
489.22723	3.2
499.21268	4.1
500.22055	1.8
502.23898	0.9
503.24615	7.2
504.23352	0.6
507.23575	0.7
508.28326	1.1
513.23102	3.4
514.23584	1.9
515.24640	0.6
517.26208	6.5
519.23602	0.9
521.25726	0.5
529.26343	2.0
530.23138	0.6
531.23901	1.1
535.27136	4.1
545.25513	71.7
546.25842	1.5
549.24780	0.5
562.25793	0.7
563.26526	0.7
564.27173	1.5
573.24969	17.8
591.26117	0.9
605.27625	83.7
606.28082	2.1
623.28693	100.0
624.29004	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31033	0.2
70.70464	0.6
95.06470	0.2
113.49915	0.2
141.44286	0.2
209.10777	0.3
211.12376	0.2
214.15143	0.2
223.12224	0.4
237.13843	0.4
239.15689	0.4
249.13562	0.3
251.15553	0.3
375.16812	0.4
376.17178	0.5
377.17676	0.9
378.18698	0.3
385.14981	0.2
388.18170	0.3
389.18307	1.0
390.18698	0.9
391.19144	2.1
392.19983	1.6
393.20746	1.2
399.15936	0.5
400.16916	0.7
401.17902	0.7
402.19727	0.3
403.19592	0.6
404.20572	1.2
405.16626	0.4
405.20911	3.4
406.21478	2.6
407.22327	8.0
413.17795	1.0
414.18515	1.1
415.19229	1.5
416.20068	0.3
417.20972	0.7
418.22141	0.4
419.17700	0.4
419.23129	1.6
420.23178	1.5
421.23895	6.8
422.24710	1.9
427.19315	0.8
428.20294	1.1
429.20959	3.8
430.21640	0.9
431.18753	0.8
432.19080	0.3
433.19904	0.9
433.24164	1.2
434.25073	0.3
435.26117	0.5
441.17041	0.5
442.22110	0.5
443.22830	2.1
444.23615	1.2
445.20435	2.0
446.21365	0.3
447.18152	1.3
448.18658	0.6
449.23459	0.8
455.18274	0.5
456.19513	0.5
457.24628	1.7
458.25211	1.7
459.22086	2.8
460.23254	1.5
461.18961	3.8
462.20764	1.8
463.21423	0.8
470.21194	0.4
471.22702	0.4
472.22684	1.8
473.19992	1.0
474.20578	0.5
475.21173	5.3
476.21768	3.5
477.22714	2.5
484.18863	0.5
485.23645	4.4
486.20642	1.4
486.25665	0.4
487.21512	1.0
488.22021	1.4
489.22949	2.9
490.24075	0.3
493.25946	0.7
497.23712	0.4
499.21265	4.8
500.21991	1.2
502.23712	0.4
503.24588	6.7
504.21576	0.5
505.22165	0.8
507.24478	0.8
508.28357	0.6
513.23248	1.3
514.23737	0.9
515.24451	0.9
517.22852	1.4
517.25690	1.4
519.24487	0.3
521.25586	0.8
529.26288	0.6
531.24048	0.7
535.27222	5.0
536.27484	0.3
545.25525	21.8
546.26117	0.6
549.24750	0.4
563.26508	1.5
564.27661	1.3
573.24988	6.7
577.28528	1.2
591.26233	2.4
605.27594	14.4
606.28009	0.5
623.28674	100.0
624.28992	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
57.03421	0.4
57.07072	0.3
67.05498	0.8
69.07084	0.4
71.08638	0.3
79.05507	0.8
81.07065	0.7
91.05497	0.8
93.07049	0.8
95.08612	0.7
105.07051	0.4
107.08594	0.3
109.10168	0.4
119.08632	0.4
121.10203	0.4
126.18488	0.3
131.08591	0.3
133.10175	0.4
145.10207	0.4
149.13353	0.3
179.36380	0.3
183.09174	0.3
212.12810	0.3
221.10638	0.3
224.12866	0.3
225.13840	0.4
226.14433	0.3
236.13013	0.3
310.13770	0.3
311.26062	0.4
329.26746	1.2
351.25549	0.6
374.16565	0.3
376.16898	0.5
389.18658	0.5
390.18750	0.8
391.19287	0.8
392.20126	0.5
400.16971	0.5
401.17917	0.3
403.19360	0.8
404.16031	0.4
404.20850	1.2
405.20825	3.0
406.21698	0.7
413.17764	0.6
414.18515	0.8
415.19406	2.0
416.20090	0.5
417.16415	0.3
417.21158	0.8
418.17416	0.7
418.22260	0.4
419.18524	1.2
419.23135	0.7
419.27991	0.3
420.23584	1.6
421.24234	1.5
426.18048	0.4
427.19360	0.8
428.20465	0.7
429.20917	3.3
430.22226	1.4
431.18390	0.9
432.19061	0.4
432.23969	0.4
433.19687	3.7
434.20523	0.7
434.25421	0.5
442.21960	0.6
443.22354	1.2
444.23743	1.6
445.19913	2.0
446.21408	0.6
447.17474	3.8
448.22528	1.9
449.23431	0.5
452.22159	0.5
456.19397	0.4
457.24756	2.2
458.24783	0.8
459.21747	2.6
460.22952	2.6
461.19550	10.7
462.20438	0.6
463.21375	0.5
464.22293	0.4
472.23010	1.5
473.19424	0.6
474.20505	0.9
475.20636	2.2
476.22009	14.9
477.22653	1.2
485.23566	9.3
486.19839	2.6
487.20135	0.5
487.25046	1.5
488.22186	1.7
489.23157	1.6
491.20810	0.6
493.26282	0.4
497.23407	0.5
499.21439	0.4
500.22260	1.1
503.24588	8.1
504.20963	0.5
505.22513	0.5
513.23029	1.2
515.24481	8.4
518.23279	0.5
519.23877	0.8
521.25684	8.1
531.23950	13.0
532.24524	0.5
535.23669	1.4
536.23657	2.8
541.22119	0.6
545.25537	3.4
548.24103	0.5
549.25018	12.1
550.25360	0.5
559.23480	6.2
563.26459	4.3
564.27039	1.6
580.26831	0.4
591.26074	30.4
592.26404	0.9
605.28033	0.5
623.28625	100.0
624.28870	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.5
67.05511	1.7
69.07065	0.5
69.26836	0.5
79.05498	1.6
81.07059	1.5
83.08612	0.2
91.05483	2.1
93.07044	1.5
95.04974	0.3
95.08613	0.8
98.20660	0.4
105.07033	1.2
107.08628	0.5
109.10167	0.3
109.65540	0.2
111.18570	0.2
113.21291	0.2
117.07012	1.5
118.41154	0.2
119.08577	0.9
121.10145	0.5
129.07027	0.6
131.08548	1.4
131.12448	0.2
132.08080	0.2
133.10158	0.8
143.08592	0.5
145.10152	0.7
157.10156	0.4
159.11691	0.5
161.09644	0.3
167.08557	0.2
169.10251	0.3
171.11673	0.3
173.13237	0.4
183.11678	0.2
195.09229	0.6
196.09935	0.4
197.10747	0.5
198.11469	0.3
207.09142	0.3
209.10760	1.5
210.11523	0.9
211.08667	0.5
211.12288	1.3
212.13107	0.3
221.10687	0.4
222.11473	0.3
223.08690	0.5
223.12288	2.0
224.09546	0.3
224.13063	1.7
225.10233	1.1
225.13814	1.2
226.14507	0.4
235.08682	0.4
235.12228	0.4
236.09422	0.3
236.13074	0.4
237.10292	1.4
237.13866	2.0
238.14589	1.0
239.11722	0.3
239.15517	0.8
247.12347	0.3
249.10327	0.5
249.13951	0.5
250.11063	0.4
251.08237	1.4
251.11823	0.7
252.12526	0.3
253.13420	0.3
257.18985	0.5
259.20490	0.3
261.14005	0.4
265.13321	1.0
266.14139	0.2
271.16992	0.4
273.18414	0.3
275.15460	0.4
275.20108	0.6
279.11243	0.3
283.10867	0.8
287.14258	0.3
288.15170	0.4
291.49805	0.2
297.12524	0.2
301.16013	0.2
302.16483	0.2
303.17377	0.2
310.13394	0.3
318.19922	0.5
327.13724	0.2
327.17358	0.2
328.14487	0.5
339.13864	0.3
352.14371	0.3
354.12244	0.3
375.19955	0.3
376.17126	0.2
389.17722	0.4
390.22177	0.4
391.19449	0.5
402.14450	0.2
402.19330	0.3
403.15088	0.4
403.19678	0.4
404.15903	0.4
404.20441	0.4
405.16208	0.3
405.21115	1.3
416.16818	0.3
417.16937	1.3
418.17410	1.2
419.18228	2.2
420.23318	0.5
421.23846	0.3
429.21170	0.3
430.19305	0.3
431.18588	1.0
432.19635	1.3
433.20099	3.0
434.20715	0.7
443.18527	0.5
445.15878	0.5
445.20529	0.8
446.17133	0.8
447.17487	0.8
447.21851	2.0
448.22803	2.0
449.23621	0.5
459.22534	2.4
460.18225	0.5
460.23608	0.4
461.18842	2.2
462.20349	0.4
463.21332	0.8
473.19101	0.5
474.20502	0.5
475.21283	4.4
476.21930	10.6
477.23105	1.4
479.25061	0.4
488.22345	0.3
489.23450	1.2
490.22739	0.3
491.25684	0.3
493.21832	0.4
493.26859	0.3
502.23447	0.3
503.20047	0.4
503.24927	0.6
504.21423	0.7
505.22644	0.7
507.24518	1.0
508.24789	0.4
519.23767	1.6
520.24213	0.7
521.26501	1.1
523.23322	0.3
531.24146	1.0
533.22418	2.2
534.22754	0.4
535.23181	3.1
536.23627	1.9
537.25153	0.4
547.22595	0.2
548.24219	7.9
549.25012	5.4
550.25031	0.3
563.26428	5.6
564.26843	0.4
565.24347	1.8
576.23456	0.5
579.22150	1.1
580.26776	0.7
591.25897	0.6
592.26917	0.4
593.24310	0.6
594.24731	0.3
605.41956	0.5
608.26465	2.6
623.28607	100.0
624.29071	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03393	0.4
60.20610	0.3
67.05517	0.6
69.31953	3.5
75.74476	0.4
79.05521	0.4
81.07040	0.5
91.05471	0.5
92.86982	0.4
93.07093	0.5
119.08563	0.5
120.61930	0.3
146.84343	0.4
180.63049	0.5
223.12195	0.4
225.13951	0.4
235.12329	0.4
237.13861	0.5
290.26669	0.4
357.59940	0.4
375.17035	0.4
389.18219	0.5
390.18771	0.5
391.19272	1.1
392.19937	0.5
399.16180	0.5
400.17227	0.5
401.17587	0.8
403.19891	0.5
404.20450	1.2
405.20892	3.4
406.21664	0.8
413.17816	0.6
415.19302	1.9
416.20056	0.5
417.20975	0.9
418.17664	0.6
419.18448	1.4
419.23032	0.8
420.23132	1.4
421.23654	2.5
427.19254	1.0
429.20877	3.4
430.22003	1.2
431.18210	0.7
432.23563	0.7
433.19302	2.7
434.20178	0.6
441.20602	0.6
442.22043	0.5
443.22214	1.3
444.23407	1.4
445.20154	1.7
446.21439	0.7
447.18277	3.0
448.22250	1.5
449.23392	0.5
452.22083	0.6
457.24255	2.9
458.25241	0.5
459.21585	2.4
460.22641	2.7
461.19470	10.0
462.20822	1.2
472.22653	1.4
473.19806	1.2
475.20624	3.2
476.21869	11.6
477.23001	1.6
485.23541	11.0
486.20187	3.5
487.20901	1.2
487.25403	0.7
488.22345	1.6
489.22852	1.9
491.25159	0.5
492.25226	0.5
497.23615	0.9
499.21494	0.7
500.22177	1.1
503.17612	0.7
503.24530	9.8
504.21841	0.7
513.23041	1.2
515.24408	9.5
519.23071	0.5
521.25543	8.5
522.26758	0.5
531.15918	0.9
531.23877	15.9
534.59473	0.5
535.23596	1.2
536.23767	2.0
541.22882	0.6
545.25360	0.9
549.25012	15.2
550.25226	0.6
559.23456	6.1
563.26239	3.7
564.27454	1.6
591.26062	28.5
623.28595	100.0
624.28815	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.9
53.03939	6.8
55.01869	5.4
55.05515	63.3
55.05784	3.1
57.03431	4.4
61.02944	2.8
65.03941	2.3
65.06406	1.8
67.05505	12.9
69.03432	15.0
69.07052	5.8
71.04971	5.1
71.55770	2.1
79.05492	14.6
81.03409	12.6
81.07059	18.1
81.51961	1.9
83.04986	100.0
83.08609	4.4
85.02873	4.3
91.03940	2.2
91.05482	25.9
93.07042	14.6
95.04982	14.3
95.08618	8.8
96.37359	1.9
97.02876	2.7
97.06504	3.1
103.05494	10.2
103.06258	1.6
105.03400	10.1
105.07038	25.1
107.04948	5.8
107.08628	13.6
107.15504	2.4
109.06513	6.7
109.10181	5.4
111.08070	2.1
115.05455	6.1
117.07028	17.2
119.04925	2.5
119.08577	24.9
121.06505	7.0
121.10144	7.1
123.08076	4.6
128.06244	9.6
129.06998	11.5
130.07768	2.7
131.04944	12.9
131.08586	17.6
132.05249	2.1
133.06482	9.1
133.10136	14.5
135.04463	2.2
135.08076	8.2
137.09669	3.9
141.07008	8.4
142.07776	7.2
143.04953	3.8
143.08569	17.9
145.06505	12.4
145.10152	14.2
147.08109	16.1
147.11714	3.7
149.09625	5.8
153.06940	3.6
155.08551	9.7
156.09322	7.1
157.06540	5.9
157.10136	25.1
159.04416	2.6
159.08104	13.4
159.11667	10.2
161.05980	10.5
161.09621	9.7
163.07565	4.8
165.06989	5.4
166.07727	3.2
167.08609	2.6
169.10161	14.6
170.10876	6.2
171.08081	10.3
171.11687	25.2
173.06000	6.2
173.09624	11.1
173.13284	4.1
175.07561	6.3
175.11208	4.8
177.09074	4.1
179.08563	3.7
181.10158	5.8
183.08104	5.0
183.11707	21.0
184.08861	2.6
185.09589	9.3
185.13226	13.5
187.07559	2.8
187.11218	7.8
189.05495	5.2
189.09180	2.9
189.12708	2.6
193.10109	5.0
193.12070	2.9
195.08110	2.7
195.11723	6.3
197.09589	9.2
197.13329	4.4
198.10359	2.6
199.07591	3.4
199.11168	16.5
200.11816	2.5
201.09059	2.7
201.12666	4.8
203.07036	2.7
203.10750	1.9
204.09387	2.0
205.10356	2.3
205.12305	2.2
206.10974	2.8
207.11703	5.6
209.09618	5.1
209.13290	3.8
211.07501	3.5
211.11235	3.5
213.09204	4.6
213.12761	20.3
213.70010	2.5
215.10646	4.2
215.14345	2.2
217.08585	4.0
217.12228	3.9
219.11758	4.2
221.09656	2.7
221.13402	4.2
222.14017	2.2
223.11108	4.4
225.12646	3.4
227.10753	3.4
229.12341	4.4
231.11754	4.2
231.13728	9.2
232.12357	2.8
233.09776	2.1
233.13293	5.4
235.11125	4.8
235.14937	3.3
237.12877	2.6
241.08400	2.6
241.12350	3.3
243.11780	4.8
244.12418	5.6
245.13464	3.8
246.14143	2.1
247.11119	4.5
249.12697	3.5
251.10706	2.2
251.14413	4.1
257.13455	3.1
259.13101	10.3
261.12817	3.4
261.16333	2.8
262.13623	2.4
265.12204	2.3
269.13174	4.4
270.10263	2.5
270.13950	2.6
271.14703	3.1
272.11935	2.9
273.12662	4.0
275.14304	2.8
283.13571	2.4
284.15579	4.3
285.16281	2.7
286.13568	3.3
287.14267	6.9
287.17569	2.4
288.14856	2.4
299.14383	4.5
300.15274	2.5
301.12228	3.9
301.15851	5.3
302.16425	3.1
311.14069	2.2
313.15820	2.6
314.16638	3.0
315.13898	2.5
315.17334	3.9
317.15363	4.4
320.17746	2.2
325.15512	2.7
327.13770	2.6
327.17462	3.3
329.15338	4.9
331.16870	4.5
340.14374	2.0
343.13254	2.5
343.16980	6.9
345.14636	4.8
345.18375	4.7
351.23233	4.5
355.17218	3.7
357.18539	7.2
359.16354	4.8
359.20331	2.6
361.14175	3.1
361.18176	3.5
363.19455	2.6
369.24356	8.2
373.17902	8.9
375.19321	5.3
385.18033	11.2
387.19574	5.1
387.25211	5.0
389.17429	6.6
391.18948	5.2
401.17395	18.5
403.19080	19.2
405.20685	9.2
419.18582	22.6
421.20090	4.6
423.21655	9.4
437.19562	23.0
443.27838	19.4
461.29031	42.4
463.20868	5.6
481.22638	2.4
503.23853	2.3
503.30374	3.8
523.23218	4.6
605.26813	2.7
623.28101	20.0
624.30029	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.6
67.05512	1.3
67.26043	0.2
69.07067	0.4
71.56818	0.2
79.05495	1.3
81.07063	1.2
83.08639	0.3
91.05492	1.4
93.07037	1.2
94.22545	0.2
95.08598	0.8
97.10203	0.5
103.05473	0.2
105.07043	0.8
107.08607	0.6
107.56570	0.2
107.95360	0.3
109.10184	0.4
117.07012	1.0
118.29445	0.2
119.08604	1.4
120.08092	0.4
121.10149	0.3
123.08075	0.3
129.07053	0.6
131.08589	0.9
132.08145	0.2
133.10146	0.4
143.08577	0.5
145.06564	0.3
145.10158	0.5
147.11665	0.3
157.10139	0.5
159.08067	0.3
169.10039	0.3
171.09203	0.2
183.11769	0.3
186.69994	0.2
195.09117	0.3
196.09866	0.3
204.06537	0.4
207.09018	0.3
208.09752	0.3
209.10664	0.8
210.11357	0.8
211.11919	0.5
212.13069	0.5
221.10692	0.5
222.11227	0.4
223.08595	0.5
223.12225	0.5
224.08971	0.3
224.12895	0.8
225.10350	0.4
225.13901	1.4
226.10614	0.4
226.14305	1.1
227.14902	0.3
235.12250	0.2
236.12886	0.4
237.10339	0.3
237.13933	0.7
238.07002	0.3
238.14464	0.8
239.11792	0.3
249.13806	0.4
250.14250	0.4
251.08237	1.1
252.08534	0.7
265.13129	0.3
271.16934	0.4
275.15518	0.3
275.20309	0.2
276.11374	0.2
276.15652	0.3
302.12933	0.4
313.12027	0.3
313.15329	0.4
314.12778	0.5
326.13043	0.3
327.13611	0.3
339.13318	0.4
341.15048	0.3
369.14090	0.3
376.16531	0.3
388.16833	0.3
389.17581	0.7
390.18268	0.7
391.19067	0.7
399.15240	0.3
401.15131	0.3
402.15097	0.4
403.14743	0.5
403.19681	0.5
404.15955	1.1
404.19836	0.8
405.16177	1.3
405.21164	0.7
406.21408	0.7
407.22348	1.3
416.16922	0.5
417.16843	1.5
418.17206	2.6
419.18152	2.4
420.18613	0.6
420.23346	0.4
421.24347	0.3
431.18958	0.6
432.19189	2.0
433.20062	4.2
434.20688	3.5
435.21902	2.2
446.17090	1.1
447.17502	0.9
447.21860	1.7
448.22379	7.5
449.23566	1.2
456.18567	0.8
459.17093	0.4
460.18594	0.7
461.18686	1.7
462.20084	0.9
463.21478	0.7
474.20108	0.5
475.21210	4.5
476.21658	16.4
477.22690	3.9
478.20065	0.3
479.20615	0.4
488.21713	0.4
489.22699	1.0
490.22940	0.7
491.24896	0.4
503.23911	0.5
504.20145	1.3
508.23801	0.7
520.24365	0.9
521.25922	2.6
522.26556	0.4
535.22943	1.9
536.23669	11.7
548.23700	1.8
549.24615	0.5
550.25555	1.0
562.25519	0.7
563.26263	11.7
564.26770	2.2
580.26733	0.4
581.27637	0.5
591.25671	1.7
594.24170	0.5
595.28436	0.7
605.42065	0.8
608.25885	1.1
623.28290	100.0
624.28510	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01871	1.4
55.05513	6.3
64.77824	0.6
66.24420	0.6
67.05514	3.0
67.86761	0.5
69.03430	1.4
69.07066	1.7
71.54803	0.6
71.55161	0.7
72.89910	0.5
75.55197	0.6
75.88135	0.5
79.05492	3.3
81.03404	2.4
81.07069	4.0
83.04980	6.6
83.08624	0.9
85.02901	0.9
91.05481	4.2
93.07051	4.1
95.04974	2.6
95.08620	2.4
97.02856	0.7
97.06526	1.5
103.05487	1.0
105.03391	4.9
105.07024	5.8
107.04948	1.2
107.08584	2.9
109.02892	0.9
109.06520	1.3
109.10162	1.3
111.04445	0.7
115.05455	1.2
117.04528	0.6
117.07036	1.8
118.87464	0.6
119.08569	4.6
119.67625	0.6
121.06509	1.2
121.10175	1.6
123.08065	0.6
128.06235	1.5
129.07027	1.9
131.04936	2.4
131.08572	3.6
133.06509	1.4
133.10136	3.6
135.08061	1.0
135.11745	1.1
142.07803	1.0
143.08572	2.7
145.06467	2.5
145.10132	4.3
147.08055	3.2
147.11700	1.4
149.09644	1.6
153.07130	0.6
155.08578	1.7
156.09380	1.3
157.06538	0.8
157.10107	4.6
159.08058	2.3
159.11694	1.8
161.06020	1.3
161.09628	3.9
163.07500	1.4
165.07053	0.7
165.09207	0.7
167.08626	0.7
168.09264	0.6
169.10165	3.5
170.10999	1.5
171.08080	1.8
171.11700	5.2
173.09700	2.6
173.13258	1.0
175.07535	0.7
175.11206	1.1
179.08569	0.7
181.10167	1.7
183.08092	0.7
183.11703	5.4
185.09630	1.3
185.13295	4.1
187.11250	1.1
189.09055	1.0
193.04968	0.7
193.10167	1.1
195.11772	2.4
197.13300	1.4
199.11185	2.5
201.09094	0.8
201.12724	1.0
205.10123	0.7
207.11729	1.8
209.13266	1.4
211.11340	1.2
211.13179	1.0
211.15086	0.9
213.09242	0.8
213.12773	6.1
219.11670	0.7
221.13371	1.0
223.11266	0.8
223.14851	0.9
225.08989	0.7
229.12192	0.9
231.13864	0.7
233.13387	1.2
235.14995	0.9
241.12209	1.0
245.13388	1.0
245.15540	1.1
247.14917	0.9
249.12836	0.8
249.16409	0.6
257.13419	0.8
267.15927	1.1
273.14859	2.3
285.16522	1.0
291.16043	0.8
317.19180	0.7
319.16989	1.0
333.18445	0.7
343.20572	0.7
359.14816	2.7
359.19864	0.9
373.17676	0.8
377.21161	2.1
379.19025	3.4
385.17834	0.9
387.19305	0.7
391.19009	0.8
403.19174	1.8
405.20734	1.9
419.18420	0.9
423.21738	1.2
433.20352	1.0
443.28418	0.8
459.21423	1.9
461.28775	1.3
473.23010	0.8
477.22495	6.7
479.30240	0.9
519.23602	0.8
537.24646	6.2
545.24927	0.9
563.25409	1.3
591.25311	1.7
605.27325	2.3
623.28210	100.0
624.28827	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01866	4.6
55.05515	41.3
57.03443	1.6
67.05503	9.0
69.03428	4.8
69.07056	3.7
71.55092	1.5
79.05492	8.4
81.03421	10.2
81.07053	8.6
83.04988	60.2
83.08643	2.5
85.02888	2.1
91.05486	12.9
93.03450	1.2
93.07040	10.7
95.04991	8.9
95.08587	3.7
97.02888	3.0
97.06515	1.3
97.10177	1.8
103.05469	3.1
105.03351	1.7
105.07038	14.6
107.04963	3.7
107.08588	4.4
107.33624	1.3
109.06522	2.0
109.10155	2.8
111.08044	1.9
114.78870	1.2
115.05464	2.8
117.07033	8.4
117.07732	1.2
119.08591	13.4
121.02866	3.1
121.06496	4.7
121.10136	3.3
125.09616	2.2
128.06245	2.6
129.07022	7.5
130.07794	1.6
131.04933	3.5
131.08583	8.6
132.05537	1.3
133.06471	8.2
133.10187	7.0
135.08031	2.4
135.11624	1.8
141.06982	1.9
141.47331	1.1
142.07840	2.1
143.08618	6.0
145.06506	8.1
145.10138	6.7
147.08061	9.4
147.11684	3.5
149.05984	1.2
149.09656	2.2
155.08568	5.5
156.09349	4.7
157.06531	2.0
157.10112	9.0
158.07336	1.3
159.08081	8.1
159.11684	4.6
161.06004	11.3
161.09605	5.0
163.07570	1.4
163.11189	2.5
165.07004	2.4
166.07768	1.4
167.08572	1.9
169.10165	6.8
170.07329	1.1
170.10887	2.4
171.08124	3.2
171.11722	9.8
172.08876	1.5
173.06027	2.5
173.09656	6.1
173.13274	1.8
175.07578	6.5
175.11223	2.2
179.08588	2.6
181.10118	3.1
182.07321	1.2
183.08087	1.7
183.11754	7.8
184.08818	4.7
185.09628	10.0
185.13266	5.4
187.07570	2.5
187.11084	2.1
189.05511	6.4
189.09135	4.4
189.12706	1.3
191.10663	1.6
193.10143	3.8
193.12163	1.8
194.11008	1.3
195.11702	5.3
197.09659	4.4
197.13272	5.7
198.10510	2.0
199.07530	1.4
199.11180	20.2
200.11981	11.9
201.09114	2.3
201.12778	1.7
203.07022	23.7
203.08757	1.8
203.10498	1.6
205.10222	2.2
206.10941	2.0
207.11717	3.1
208.08818	1.2
209.09583	2.3
209.13261	2.9
211.11232	2.3
211.13246	2.7
213.12747	16.5
215.10704	1.9
215.14351	2.4
217.08472	2.3
217.10370	1.3
217.12250	1.1
217.15791	1.3
220.12468	1.5
221.09656	1.3
221.13304	3.9
223.11232	5.3
223.14851	1.7
224.11986	1.8
225.12752	1.7
227.10660	2.2
229.08502	1.5
231.11726	1.7
231.13773	2.9
233.13354	2.6
235.11185	1.7
235.14880	4.1
239.14218	1.3
241.12263	5.6
243.13791	2.1
245.13419	1.7
249.12863	2.5
251.14314	2.0
255.13918	1.8
256.12418	1.3
257.13293	1.7
261.12949	1.4
263.14291	2.7
269.17313	1.4
271.14642	1.4
273.12674	2.8
285.12567	1.7
287.14139	1.4
299.14493	1.8
303.17200	2.0
311.14371	1.5
313.15814	2.2
315.17490	3.0
317.15329	2.8
317.18848	2.0
325.15817	1.6
327.13870	2.5
327.17459	2.5
328.14389	1.6
331.16806	6.4
339.17554	2.1
341.15039	1.5
343.16962	4.8
345.14716	2.6
345.18558	10.8
347.20395	1.7
355.17126	2.7
357.18524	11.9
359.20209	1.4
361.17920	4.0
367.17108	2.1
373.18127	9.1
375.19452	7.9
385.17996	14.6
387.19626	2.4
391.18866	7.0
403.19086	34.3
405.20578	3.1
421.20160	15.5
423.21631	2.1
443.27847	4.3
445.20190	2.3
456.14731	1.5
459.21600	1.9
461.29117	13.7
463.20935	4.4
477.22491	9.2
479.30057	2.3
481.21973	3.1
485.23386	2.1
537.24536	7.5
563.26294	2.7
591.26001	2.6
623.28040	100.0
624.28290	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	623.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19786	0.4
55.01885	0.8
55.05517	2.1
55.90291	0.4
59.15083	0.3
67.05497	1.3
67.49958	0.4
68.47604	0.4
69.03412	0.6
69.07082	0.5
79.05503	1.5
81.03413	1.5
81.07061	1.2
83.04983	3.4
91.05474	2.1
93.07050	1.4
95.04948	1.1
95.08647	0.6
97.06560	0.5
101.09608	0.4
103.05497	0.7
105.07054	2.0
107.04967	0.5
107.08614	0.8
115.05455	0.5
117.07034	0.8
119.04984	0.5
119.08585	1.8
121.10152	0.7
128.06226	0.5
129.07072	0.6
131.04956	0.9
131.08591	1.3
131.27797	0.4
133.10136	1.2
135.08064	0.8
141.07030	0.5
143.08536	1.2
145.06429	0.8
145.10086	0.8
147.08034	2.0
148.09622	0.4
148.98529	0.4
149.09602	0.5
155.08519	1.0
156.09390	0.6
157.10127	1.7
159.08076	1.4
159.11742	0.5
161.09630	1.6
163.07596	0.6
169.10092	0.7
171.11711	1.9
173.05942	0.8
173.09637	1.6
173.13261	0.5
179.06949	0.5
179.10680	0.5
181.10098	0.9
183.11720	1.0
185.09682	0.9
185.13277	1.4
187.07620	0.5
187.11172	0.5
195.11729	0.9
197.13307	0.8
199.11293	0.9
201.12801	0.7
211.11301	0.7
213.12685	3.0
225.12619	0.6
231.09984	0.4
231.13887	1.0
241.12125	0.6
259.13309	0.8
272.00992	0.4
273.14737	2.4
291.16064	1.0
295.80008	0.5
312.85721	0.5
313.14279	0.7
331.15298	1.0
341.13647	0.5
346.18011	0.5
359.14621	2.2
375.17746	0.9
377.21176	0.7
397.27457	0.7
405.20773	1.1
423.21750	1.0
459.21634	1.6
461.29254	0.8
463.20923	2.2
477.22546	6.0
505.21756	2.1
523.23059	9.9
523.30835	0.5
537.24670	4.0
563.26105	1.0
605.26691	1.9
623.28284	100.0
624.28735	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	623.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72754	9.1
55.05499	9.3
67.05498	23.8
69.03448	65.3
69.90897	29.8
71.04970	11.1
72.08131	9.4
75.81122	7.6
79.05479	35.1
81.03429	13.4
81.07045	36.1
83.04997	11.6
84.08154	45.2
85.02914	13.2
86.09721	8.6
91.05492	54.3
93.07046	53.9
95.04984	28.3
95.08604	46.7
97.06495	10.4
103.05474	15.7
105.07040	70.3
107.08594	37.2
109.06519	14.1
109.10152	25.6
111.04469	9.9
113.02366	19.0
115.05507	12.2
117.07009	33.0
119.04923	16.1
119.08594	72.5
121.06499	19.1
121.10157	15.8
122.50771	7.6
123.04433	8.6
123.08036	12.4
126.41283	7.5
128.06198	17.9
129.07013	21.6
131.08565	70.0
133.06487	13.8
133.10144	35.5
135.08023	16.2
137.05983	30.5
141.07080	8.4
142.07777	27.0
143.08560	61.8
144.09354	11.0
145.06488	18.5
145.10110	51.1
147.08017	24.4
147.11682	11.4
149.06006	11.9
155.08588	58.8
157.05067	9.4
157.06522	9.8
157.10141	54.2
159.08025	29.4
159.11708	23.6
161.09630	30.9
163.07646	8.1
165.05560	10.0
165.06902	16.9
167.07092	15.7
167.08539	12.2
167.60860	8.8
169.10144	61.3
171.08031	26.4
171.11649	21.0
173.09604	30.5
175.07635	13.6
175.11180	29.4
179.08554	12.7
180.09444	12.3
181.10112	46.3
183.06569	17.3
183.08072	8.9
183.11687	32.3
185.09572	23.4
185.13322	10.8
187.11211	19.9
189.09076	20.7
191.10648	14.0
193.10153	30.0
194.10881	11.8
195.11649	43.6
197.09651	16.9
197.13255	28.0
199.07503	9.1
199.11209	15.2
199.14798	9.2
201.09227	13.0
203.10745	10.8
205.10182	19.9
206.10796	9.7
207.10033	15.7
207.11702	33.9
209.13217	31.1
211.11195	20.0
211.14825	32.8
213.09161	20.0
215.10669	13.7
218.11017	14.1
219.09973	17.9
219.11694	24.4
220.12531	15.4
221.13231	23.0
222.13910	10.7
223.11189	10.8
223.14767	26.7
225.12682	14.5
229.12378	14.6
231.11844	19.7
232.12430	17.2
233.13339	20.8
234.24307	8.3
235.14899	26.1
237.16412	11.9
239.14363	21.5
243.10065	11.9
245.13342	11.6
247.14812	22.0
247.83023	8.8
249.12715	14.3
249.16400	27.6
251.14410	14.7
251.17964	23.2
253.12192	9.2
253.15602	10.6
261.12811	9.9
263.14322	10.0
265.12360	10.7
265.15808	24.0
267.17398	14.5
273.16211	7.6
275.17850	19.8
277.12021	9.4
277.15848	15.0
289.15768	13.6
291.17438	9.9
293.19040	31.4
295.16849	9.6
295.20779	11.8
303.39032	9.6
307.17035	17.4
309.18607	15.7
311.16739	9.1
317.15454	10.0
317.18982	22.0
319.16794	14.5
319.20612	11.2
321.18436	10.8
325.17972	27.6
333.18475	15.4
335.16312	22.9
335.20047	22.8
337.17966	22.3
339.15948	15.4
345.18506	18.3
351.19678	20.1
352.49020	10.0
353.17404	33.5
355.18973	18.5
357.13358	11.4
357.17728	16.4
361.17862	28.5
363.19562	24.6
371.18350	29.4
373.19946	10.1
375.19238	15.0
379.19064	56.6
381.20908	45.4
382.93799	8.9
385.17770	11.3
393.20578	10.6
397.20099	59.0
399.21707	31.4
403.19028	26.5
405.20886	11.3
407.18381	33.1
411.21042	8.9
415.20923	25.8
421.20081	79.2
422.14539	8.6
423.21570	20.1
425.19431	47.9
431.18625	20.4
439.21222	67.7
441.22632	11.4
449.19592	75.2
455.20352	10.4
457.22186	28.9
461.21533	9.9
467.20627	83.1
485.21805	100.0
503.22632	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	623.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61570	5.7
53.03947	7.9
55.01876	6.4
55.05502	19.5
65.03931	7.6
67.05520	38.1
69.03431	57.6
69.07081	12.6
69.41326	49.4
70.06609	8.4
79.05486	43.7
81.03423	15.8
81.07057	46.3
83.04980	20.4
84.08162	7.9
85.02902	19.3
85.06550	9.4
91.05480	61.8
93.07049	73.3
95.04976	27.1
95.08598	60.1
97.02901	13.6
97.06529	18.3
97.10181	5.5
99.04458	9.6
101.93465	6.4
103.05458	8.6
105.03403	6.1
105.07035	69.1
106.49890	6.4
107.04962	13.4
107.08588	45.9
109.06525	20.1
109.10168	22.7
111.04439	9.6
113.02373	20.1
115.03894	8.7
115.05459	10.8
117.07021	32.6
119.08590	78.0
121.06514	19.5
121.10136	35.4
123.04395	11.2
123.08115	12.8
123.11660	7.9
125.06018	11.3
125.09663	9.9
127.03882	6.2
128.06236	15.1
129.07008	28.4
130.07765	8.9
131.04933	13.9
131.08562	62.9
133.06480	13.9
133.10147	40.4
135.08058	16.0
135.11684	13.6
137.05988	15.9
137.09619	12.4
141.06975	16.3
142.07732	13.6
143.08546	50.7
144.05673	5.9
145.06496	9.8
145.10135	63.6
147.08054	19.1
147.11659	14.9
149.09631	13.5
151.07605	8.9
153.06966	7.4
154.07759	11.0
155.07187	8.8
155.08553	31.2
156.09312	9.4
157.06544	12.9
157.10139	54.5
158.10432	7.4
159.08078	29.0
159.11717	30.5
161.09645	25.9
163.07564	13.0
163.11156	7.9
165.05515	6.0
165.07010	12.0
165.09091	7.3
167.07040	22.5
167.08601	28.6
167.10611	12.3
168.09399	7.5
169.10106	43.0
171.08035	25.9
171.11717	32.6
173.09615	29.4
173.13203	9.9
175.07478	11.5
175.11208	19.6
179.07066	6.7
179.08548	22.5
180.09346	12.6
181.10144	38.5
183.06540	11.2
183.08093	7.2
183.11719	36.5
185.09642	29.9
185.13199	16.5
187.07611	9.6
187.11238	15.6
187.14938	8.2
189.09106	16.5
191.08582	8.7
191.10789	10.4
193.10138	27.5
194.10851	7.9
195.11703	42.2
197.09651	19.0
197.13258	15.1
199.07549	15.8
199.11217	19.9
199.14894	8.6
201.09126	18.2
201.12811	10.2
203.10628	13.4
205.08479	12.5
205.10193	10.9
206.10938	9.9
207.11754	43.6
208.12349	9.3
208.52284	6.0
209.09703	9.5
209.13239	27.8
211.11195	18.7
211.14833	15.4
213.09120	14.0
213.12741	11.2
215.08548	8.6
215.10611	13.3
216.09268	6.8
217.10233	12.0
217.12198	10.2
219.09953	8.6
219.11743	27.2
220.12489	10.0
221.13388	30.1
222.13968	6.3
223.11241	11.2
223.14807	13.8
225.09059	11.5
225.12888	9.0
227.10622	15.2
229.12238	10.2
231.09851	10.3
231.11914	12.8
233.11536	10.0
233.13461	12.4
235.11230	7.0
235.14897	15.8
237.12775	14.6
237.16396	8.5
239.10704	12.8
239.14372	9.8
241.12239	10.0
243.10066	8.4
245.13261	16.6
247.14838	22.6
249.12653	12.0
249.16464	11.7
251.14508	7.3
257.13428	6.2
259.14874	13.2
261.16574	13.5
263.14392	13.8
265.12305	9.3
267.13788	7.8
273.16385	8.3
275.10764	6.0
275.14359	11.6
275.17966	5.9
289.15726	9.7
291.17535	11.3
293.15286	17.8
293.18723	9.1
303.23199	15.3
305.15634	14.4
305.19067	11.0
307.17023	17.7
309.18350	15.3
311.16455	6.9
315.17422	7.8
319.17032	9.2
321.24203	20.2
325.18039	10.6
333.18384	10.8
335.16196	9.7
335.19940	15.1
337.18057	17.9
339.25226	13.2
343.19168	11.1
345.18283	9.4
351.15533	8.0
351.19617	23.4
353.17453	14.4
355.19113	12.6
357.18039	9.6
361.17966	13.9
363.19708	8.0
369.16623	8.1
369.20792	11.0
371.18433	40.3
373.19815	6.9
375.19540	25.1
379.19058	17.9
381.20587	16.8
385.18109	10.5
393.20792	15.6
395.18234	11.9
397.20081	25.6
403.19376	31.5
407.18436	20.4
409.19839	9.0
421.20206	44.1
423.21704	15.5
425.19574	22.6
431.18521	21.5
437.19354	8.4
439.21246	53.8
441.23135	7.5
443.20618	20.1
449.19809	50.7
455.20532	8.6
457.22552	29.6
467.20764	66.2
485.21811	100.0
503.22528	25.9
518.33820	7.7
623.25140	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	623.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
54.51005	0.5
55.01870	0.6
55.05499	1.5
56.93192	0.5
63.83349	0.4
67.05496	2.6
69.07053	0.8
69.46657	3.7
79.05482	2.3
81.03434	0.6
81.07053	1.7
83.05003	0.9
91.05464	1.9
93.07043	1.7
95.04972	0.6
95.08633	1.1
97.06505	1.0
98.21449	0.9
104.85613	0.5
105.03415	6.4
105.04427	0.5
105.07021	1.4
106.03726	2.1
107.08553	1.7
109.10147	0.7
111.08085	0.6
117.06998	1.2
118.59384	0.5
118.98431	0.5
119.08568	1.5
129.06989	0.7
131.08577	1.4
133.10130	1.9
135.08052	0.8
135.11566	0.5
143.08566	1.2
145.10124	0.9
146.43544	0.5
147.11693	0.8
153.09152	0.5
155.08568	0.6
157.10052	0.6
159.11635	0.8
171.11678	1.1
173.13200	0.8
181.10042	0.5
185.13223	1.1
223.12375	0.9
233.10555	0.6
275.20059	0.7
303.80734	0.5
363.16034	0.5
374.16492	0.9
375.16946	0.6
377.17532	1.4
378.18591	1.1
388.17203	0.6
389.17816	1.0
390.18906	0.9
391.19150	2.2
392.19788	1.7
393.20731	1.4
399.16159	0.8
400.16681	1.5
401.17584	1.9
402.19287	0.6
403.19696	1.0
405.16333	0.7
405.20776	1.9
407.22299	2.9
413.17728	1.1
414.18393	1.5
415.19568	2.5
416.20297	0.9
417.16925	0.9
419.18512	1.8
419.23129	0.9
421.19971	1.0
425.17459	0.7
427.19751	0.8
428.20050	1.4
429.21094	1.1
430.21701	0.7
431.18588	1.5
433.15808	1.0
433.20691	1.6
434.21301	0.7
435.21686	1.8
441.17041	0.8
443.22299	1.9
444.19421	1.1
445.20322	1.8
446.21225	0.9
447.17395	3.2
448.19028	0.9
449.23563	0.8
451.31165	0.7
456.19400	0.8
457.19943	1.6
458.20944	0.6
459.18127	1.5
461.19293	3.1
462.20511	2.1
463.21320	1.6
469.32016	0.7
471.22592	3.7
472.23074	0.7
473.18890	2.7
474.20630	1.6
475.22177	3.4
476.18164	0.9
477.22705	0.6
483.21844	0.6
485.19879	2.5
486.20404	1.8
489.22427	4.8
490.19278	3.8
491.20493	3.2
499.21475	9.7
500.18756	0.9
501.23505	3.3
502.19916	0.7
503.20465	3.8
507.23480	1.8
508.25128	1.1
513.19226	2.4
514.19861	0.8
516.21619	0.7
517.22479	12.8
518.19873	1.0
525.35358	0.8
527.20551	1.9
529.22375	5.6
531.20123	2.1
535.23431	4.5
536.23633	1.2
545.21832	18.6
547.23505	1.9
563.26196	3.4
564.23767	1.5
573.21313	6.6
577.24335	1.9
591.22198	3.4
595.25842	0.8
605.23914	34.4
606.24048	0.8
623.24951	100.0
624.25305	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	623.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
54.04990	0.4
55.01846	0.5
55.05505	2.0
67.05505	2.9
69.03441	0.5
69.07068	1.0
69.22265	0.5
69.30489	3.9
79.05511	2.3
81.03432	3.6
81.07049	2.9
82.30624	0.5
83.08618	0.9
91.05479	2.4
93.07083	2.2
95.04932	0.7
95.08606	2.1
97.10191	0.6
98.21510	0.8
105.07021	1.9
107.04967	0.8
107.08613	1.0
109.06484	0.6
109.10145	1.1
115.05434	1.0
117.07024	1.4
119.08601	1.5
121.10119	1.1
122.03731	0.4
129.06985	1.1
131.08563	1.7
133.06508	0.7
133.10135	0.6
143.08644	0.6
145.06532	0.8
145.10107	0.9
147.08072	0.7
155.08601	0.5
157.10092	0.9
160.05234	0.6
161.05954	1.0
161.13272	0.5
171.11697	0.9
173.06035	0.9
185.13219	0.4
195.09297	0.6
196.10016	0.5
197.13307	0.5
209.10782	0.8
211.12392	0.7
221.10808	0.6
223.12314	0.9
225.14116	0.4
235.12302	0.8
237.13899	0.6
247.12262	0.5
271.13177	0.5
273.14764	0.5
290.16806	0.5
298.13693	0.5
304.18198	0.5
309.21991	0.5
312.14917	0.6
313.15576	0.4
314.16614	0.6
335.25839	0.5
363.16293	0.8
375.16580	0.7
376.17258	0.7
377.17737	1.5
378.18286	0.5
387.16135	1.3
388.17712	1.1
389.17819	1.5
390.18488	1.0
391.19366	2.5
392.19980	1.5
393.20615	1.9
399.16373	0.7
400.16837	0.6
401.17606	3.0
402.18582	1.9
403.19415	4.2
404.20306	2.3
405.21259	2.2
406.21622	1.5
407.22302	3.6
408.23126	0.7
413.17642	1.3
414.18491	1.8
415.19409	5.5
416.20175	3.4
417.21149	4.8
418.22229	2.7
419.18112	1.3
419.22339	1.7
421.24350	0.9
425.17786	0.6
427.19336	1.8
428.19955	1.7
429.21085	4.6
430.22104	3.6
431.23218	3.3
432.18985	0.6
433.16269	1.2
433.24490	6.1
434.16977	0.6
435.21860	3.2
443.18027	1.5
443.22443	2.5
444.19254	2.2
444.23721	1.5
445.19397	2.0
445.23920	4.1
446.20334	0.7
446.25500	0.8
447.17410	3.0
447.25397	1.7
448.18835	1.4
449.23962	0.9
451.21506	0.5
456.19504	1.0
457.20184	1.6
458.20273	2.2
459.21225	3.5
460.23047	2.5
461.18991	3.3
462.20425	5.7
463.20853	4.9
465.23044	0.6
471.22412	4.6
472.17905	0.5
472.22556	1.9
473.24219	5.0
474.19128	0.9
474.24194	1.5
475.21811	7.3
476.22577	2.4
477.22992	17.5
479.24936	0.8
480.24557	0.6
483.21802	0.9
484.18991	0.6
485.19022	0.6
485.23816	0.7
486.20505	2.6
487.25146	6.3
488.22815	0.5
489.23480	5.7
490.20145	1.9
490.24771	0.6
491.25143	4.6
499.21350	11.7
500.18881	1.5
501.23257	3.7
502.20267	0.7
503.19910	3.1
504.25433	0.9
505.26083	2.9
506.26929	2.5
507.24036	0.6
513.19409	1.0
515.25067	2.1
516.21387	0.6
517.22064	7.0
518.22894	2.0
519.20715	0.6
519.27576	3.1
520.20551	0.5
521.21259	0.7
523.27063	1.2
525.35596	0.6
527.20514	1.3
529.22498	5.9
531.23993	0.8
532.24084	0.9
535.23096	5.2
536.23883	0.8
545.21295	20.9
546.26746	1.0
547.27136	16.0
549.24982	11.7
550.25787	19.0
555.20105	1.0
559.23480	0.8
561.21143	0.7
563.26837	4.1
564.27917	2.6
573.21045	6.2
577.27435	1.9
579.29614	9.1
591.26184	14.1
595.26050	0.7
605.23840	47.2
605.42395	1.1
606.24365	1.0
623.28400	100.0
624.27106	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.9
53.41479	0.4
55.01870	0.8
57.03440	0.9
69.03425	0.8
71.55079	0.5
71.55440	0.6
72.29667	0.4
73.02914	0.5
75.52716	0.4
78.73217	0.4
79.05499	1.4
83.04970	0.5
84.41169	0.5
85.02925	2.1
91.05521	0.4
93.07063	0.5
95.04959	1.0
95.08586	0.4
95.34197	0.4
97.02894	0.5
97.06425	0.4
107.04960	100.0
109.02879	0.8
120.08116	0.5
131.08530	0.4
137.05984	3.3
149.06007	0.6
167.07088	0.8
181.05028	0.6
189.01811	0.9
201.05507	1.1
205.05060	0.5
207.02953	0.5
213.05487	0.7
216.04266	1.9
217.04976	4.8
219.06540	1.2
227.03453	0.5
227.07089	0.7
229.04999	6.1
230.05725	2.2
231.06564	1.4
235.06111	0.5
241.04976	1.3
243.02808	0.5
243.06529	3.3
244.07362	1.2
245.08197	0.6
247.06000	7.6
251.61072	0.4
255.06491	1.4
257.04568	0.5
257.08115	1.2
258.05536	0.5
259.06027	6.4
267.06583	0.7
268.07297	0.7
269.08066	1.4
271.05997	2.5
273.07663	3.9
279.06522	0.5
283.06055	1.8
285.07510	0.6
287.09213	0.9
287.77420	0.5
295.05939	0.9
297.07587	0.9
301.07077	3.1
310.11600	0.5
311.09225	0.6
313.07080	2.0
323.09171	8.5
325.07089	1.7
335.09134	8.1
337.06839	0.6
337.10712	0.5
341.10370	0.8
343.07898	0.7
349.10742	1.6
353.10208	18.5
363.12250	1.3
365.10193	12.5
375.12277	1.3
377.10211	8.2
379.11832	2.7
383.11279	5.2
389.09991	2.9
389.14468	0.6
391.11969	1.4
393.13388	1.5
395.11188	0.7
401.10138	1.1
403.11758	1.3
407.11301	15.2
413.10443	0.9
419.11176	5.2
431.11282	6.0
437.12354	10.7
443.11273	0.7
449.12286	5.9
455.13431	9.9
467.13495	7.5
473.12601	1.8
485.14453	28.7
491.13455	1.1
503.15546	5.6
509.14371	8.5
521.14386	1.4
527.15424	2.7
533.14337	2.3
539.15594	7.5
549.20050	0.6
551.15436	6.8
557.16510	0.8
569.16571	8.0
587.17365	5.1
605.18518	1.5
623.21814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.05519	9.6
57.03427	4.7
57.07085	1.8
59.73623	1.3
60.05626	2.4
60.08121	1.3
65.03934	1.8
67.05510	50.4
69.07070	14.4
71.01244	3.0
71.04969	1.6
79.05498	36.2
81.07057	39.4
83.05005	2.2
83.08620	7.7
85.06530	1.8
91.05486	32.6
93.07053	35.7
95.04987	1.9
95.08614	32.5
97.06541	13.1
97.10152	3.4
99.08107	1.9
105.07045	16.7
107.08600	19.9
109.06496	1.7
109.10166	11.1
111.08070	4.9
112.29075	1.5
117.07019	8.8
119.08592	19.6
121.10147	30.0
123.08065	3.3
129.07040	3.5
131.08583	12.3
133.10129	14.9
135.08131	1.4
135.11693	22.1
137.09650	2.2
143.08595	2.6
145.10092	9.7
147.11728	5.3
149.13245	2.0
159.11699	7.3
161.13287	3.4
163.11154	1.6
171.11656	2.1
173.13263	4.8
177.12709	2.6
180.63589	1.4
185.13200	2.4
201.16394	7.4
209.10829	1.8
223.12399	1.7
225.10091	1.7
225.14053	2.3
237.13866	1.7
237.18520	7.3
241.19565	2.5
249.13857	1.7
259.20651	7.3
268.09061	1.3
273.18491	1.8
277.21661	6.4
311.22211	47.8
313.23828	10.4
315.23523	1.6
333.24268	12.7
349.23615	3.3
351.25314	38.0
390.91443	1.7
405.20828	2.0
417.16727	2.8
418.17548	3.5
419.18176	2.1
431.18668	3.0
432.19028	5.3
433.20105	6.3
446.20581	3.6
447.21799	8.4
448.22372	3.0
461.22409	4.0
473.19336	1.6
475.21378	26.0
476.22144	9.1
477.23370	2.9
489.22260	1.9
502.22513	2.0
524.40283	1.6
533.24945	1.6
534.25616	2.5
535.23340	18.4
536.23810	2.2
547.23547	3.0
548.26489	2.7
549.24884	2.9
562.25500	24.2
563.27881	12.8
564.29327	1.6
569.41937	4.0
587.43164	38.1
590.24463	3.2
622.27887	100.0
622.61285	2.2
623.28619	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.6
54.31708	3.3
55.05265	4.3
55.05516	63.7
57.07066	13.7
67.05507	35.8
69.03418	7.4
69.07072	61.6
69.19862	19.0
69.20293	15.3
71.08637	4.4
77.03939	3.9
79.05491	15.2
80.19544	3.3
81.03413	9.7
81.07062	74.4
83.04987	72.8
83.08611	39.5
85.02924	3.5
85.06573	8.7
85.10165	3.7
91.05464	25.3
92.05814	4.6
93.07059	23.6
95.04975	8.4
95.08610	78.8
96.72966	3.6
97.06528	9.6
97.10195	24.8
98.21545	5.2
103.05502	19.9
105.03391	20.0
105.07026	31.3
106.03667	4.5
107.04983	4.1
107.08594	25.1
109.10161	55.8
111.08068	4.7
111.11720	32.4
115.05436	8.4
115.07570	5.2
117.07018	16.3
118.07268	3.4
119.08578	31.1
121.10149	22.4
123.08110	5.2
123.11714	46.9
125.13268	15.8
125.48077	3.6
127.07569	5.4
128.06174	9.4
129.07042	7.2
129.09081	4.2
131.04916	37.2
131.08562	14.8
132.05276	11.3
133.06491	10.4
133.10158	27.6
135.08064	7.1
135.11732	9.8
137.09630	10.3
137.13284	33.3
139.14801	8.5
141.09135	5.6
142.07774	4.4
143.08571	12.0
145.06502	8.6
145.10149	8.5
147.08047	8.9
147.11716	21.5
148.08388	4.2
149.09651	5.3
149.13246	6.8
151.11211	10.4
151.14838	10.6
155.08559	5.4
155.10672	6.3
156.09297	5.9
157.10156	16.6
159.08073	7.3
159.11687	11.3
161.05966	8.6
161.09634	8.1
161.13235	12.2
165.12747	15.8
165.16444	5.8
169.10132	14.2
169.12250	11.0
170.10735	6.5
171.08069	6.0
171.11674	21.2
172.08702	5.1
172.12004	4.7
173.05997	5.8
173.09634	12.1
175.14867	7.8
179.14328	12.6
179.17973	6.3
180.09343	4.6
183.08154	4.2
183.11748	20.5
183.13846	34.1
185.09598	9.8
185.13268	8.8
187.11162	3.6
189.09018	5.6
193.15852	8.3
195.13841	6.5
197.09557	5.9
197.13402	6.9
197.15404	24.7
199.11111	10.8
200.11774	3.8
201.12584	4.8
207.17415	4.7
207.21111	4.3
209.13182	4.2
211.16959	15.3
213.09256	5.5
213.12695	16.5
214.13094	7.4
215.17958	4.2
221.18930	6.2
225.18466	4.9
227.10712	5.2
231.13882	5.7
238.13118	5.3
239.20135	18.3
241.12312	4.7
243.13747	4.9
251.20103	7.6
259.13147	7.4
265.21643	6.2
285.25732	6.9
303.26788	17.2
313.15948	5.4
321.27881	100.0
339.29019	16.1
343.16864	6.8
355.37607	4.2
357.18555	4.5
358.18613	4.4
375.19443	6.2
376.19998	5.5
399.35010	4.7
403.19049	10.5
404.19241	12.9
420.85574	3.6
421.20178	6.4
422.20291	12.6
463.21021	5.3
622.30798	13.2
623.28027	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	621.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31897	3.1
53.03939	4.3
55.01863	7.3
55.05523	13.3
57.03435	21.8
57.07077	25.3
65.03933	6.0
67.05186	4.1
67.05509	46.8
69.07070	11.4
69.48436	17.8
69.48857	4.8
71.08629	13.2
79.05500	29.2
81.03418	4.0
81.07056	36.0
81.40527	2.7
83.04994	3.7
83.08610	10.3
85.06535	12.2
85.10188	8.5
89.06009	3.5
91.05486	29.9
93.07042	22.8
95.04977	52.3
95.08616	24.5
97.06506	7.2
97.10186	5.7
105.07056	21.3
107.04960	10.8
107.08614	19.4
109.06519	58.2
109.10164	8.3
113.06020	28.8
117.07002	11.1
119.08569	11.6
121.06483	3.7
121.10159	5.9
123.08026	3.3
129.07010	7.9
131.08571	17.0
133.10126	10.6
135.08064	45.3
143.08559	5.2
145.10121	10.2
145.89948	2.7
147.08055	6.5
147.11749	3.9
149.09636	6.1
157.10144	5.2
159.11671	7.3
161.09641	9.0
177.12738	3.5
192.97054	2.9
199.14838	3.4
206.22511	2.5
217.15842	9.7
239.23839	3.0
240.98395	2.5
273.18521	45.3
291.19553	100.0
313.27386	47.0
347.22327	4.9
365.23257	11.8
446.20721	3.7
447.21692	4.7
474.20117	3.8
475.20963	5.4
533.25757	6.2
534.44659	2.9
546.41028	3.3
561.25055	26.2
585.44769	10.2
603.46295	44.5
621.26910	27.2
621.47729	3.5
622.27606	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	621.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
55.01872	18.7
55.05267	4.0
55.05513	57.4
57.03419	2.1
67.05501	8.1
69.03432	7.6
79.05499	24.2
81.03422	29.5
81.07052	8.4
83.04987	100.0
91.05488	39.0
93.07034	10.0
95.04971	11.9
95.08644	5.4
101.06010	7.7
103.05462	9.1
105.03399	3.9
105.07039	21.4
107.04959	23.5
107.08576	6.8
109.06538	3.9
115.05466	6.3
116.06302	2.5
117.07014	18.2
119.08585	43.3
119.11946	2.6
121.06520	5.9
121.10107	3.3
128.06235	7.5
129.07018	28.4
130.07773	2.3
131.04945	10.6
131.08577	26.0
133.06502	6.6
133.10143	15.0
135.08072	5.1
141.06999	6.4
142.07794	7.7
143.08578	19.9
144.09393	2.9
145.06487	21.5
145.10130	16.8
147.08055	77.1
147.09235	4.2
149.09628	35.8
154.07762	4.2
155.08546	8.1
156.09367	5.8
157.06526	3.4
157.10141	32.6
159.08061	51.0
159.11707	40.9
161.09624	44.5
163.07481	3.0
165.06854	2.9
167.08600	3.4
168.09363	3.5
169.10135	21.8
171.08029	4.1
171.11714	24.2
173.05957	4.2
173.09604	13.0
173.13242	12.9
175.07559	25.4
177.09108	3.0
179.08508	3.2
181.10187	5.9
183.08081	3.0
183.11736	26.3
185.09615	8.4
185.13254	7.9
187.11240	17.6
189.09114	4.8
191.10573	4.0
193.10164	6.9
193.12021	2.4
194.10835	2.8
195.07895	3.1
195.11700	6.6
197.09587	11.5
197.13271	7.8
199.11224	12.3
201.12756	7.4
207.11711	9.4
209.09628	5.2
209.13298	7.7
211.11145	8.4
211.14905	3.3
213.12714	6.2
215.10672	7.5
217.10236	3.6
217.12216	4.2
219.11693	3.8
220.12570	2.7
221.13272	8.3
223.11292	4.8
223.14789	3.6
225.12694	15.3
227.10677	6.0
229.10217	4.4
229.12166	13.6
231.11884	4.5
231.13849	5.6
233.13315	3.8
233.15396	11.1
235.11302	3.1
235.14781	5.4
237.12604	4.7
237.16600	2.4
238.13544	3.2
239.14261	2.9
243.13818	7.4
245.11543	2.6
245.15495	2.5
247.11118	5.4
247.15088	3.8
249.12639	5.6
251.14268	3.0
257.13275	3.1
261.12469	4.9
261.14914	7.1
265.15903	3.5
271.14706	2.6
273.12766	4.6
275.14505	3.8
277.15826	2.9
285.12616	5.4
286.13376	3.3
287.14291	3.6
289.15909	2.9
299.14148	4.3
300.15079	4.5
301.15881	3.0
303.14041	2.4
305.18915	3.9
315.17374	18.1
317.15518	4.9
325.15814	3.0
329.18790	5.8
333.18439	22.3
343.16898	9.1
347.19983	14.2
357.18518	11.6
361.18011	7.0
375.19559	27.4
379.22800	2.7
385.17892	6.5
389.21149	16.0
399.19626	3.6
403.19226	13.7
405.20807	6.3
407.22150	44.4
416.28635	2.8
417.20670	31.3
435.21683	39.4
487.21399	2.9
535.26483	3.0
561.24854	16.4
621.27142	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	621.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33645	2.5
53.03949	8.3
53.84009	2.6
55.01875	26.2
55.05516	26.8
60.20160	2.8
64.46631	2.5
67.05499	10.5
69.03431	24.7
69.07084	3.0
69.19846	14.8
69.20277	12.1
79.05500	35.1
81.03419	28.6
81.07047	11.5
83.04982	33.1
91.05486	48.1
93.07054	12.8
95.01369	4.7
95.04972	18.3
95.08621	6.0
97.02919	3.5
97.65025	2.9
98.20773	4.8
103.05473	12.2
104.08120	2.5
105.03415	4.2
105.07028	20.3
106.07386	2.5
107.04959	33.2
107.08598	9.1
108.53049	2.7
109.06500	5.9
115.05460	7.6
116.06233	4.3
117.07007	20.9
117.62979	2.7
119.04974	4.2
119.08584	58.3
121.06512	7.9
121.10136	4.6
124.87846	3.0
128.06238	5.3
129.07002	31.9
131.04932	14.9
131.08588	33.4
133.06519	9.6
133.10121	18.0
135.08017	4.6
141.06981	6.9
142.07787	5.7
143.08566	19.8
144.05676	3.1
145.06493	23.1
145.10133	18.0
147.08054	100.0
148.08350	4.1
149.02351	3.6
149.09631	54.6
153.06940	4.5
154.07794	3.4
155.08525	8.5
156.09387	8.2
157.06512	4.8
157.10141	42.8
159.08067	63.0
159.09413	3.3
159.11690	48.2
161.09628	51.7
163.07539	4.5
167.08611	4.7
168.09381	4.0
169.10156	27.9
170.10764	4.5
171.08044	8.2
171.11711	35.2
173.06026	3.6
173.09633	22.8
173.13260	15.3
175.07568	32.4
175.11169	3.8
178.07854	3.1
179.08720	3.8
181.10110	8.5
183.08023	5.3
183.11687	37.1
185.09688	12.6
185.13260	5.9
187.11249	13.7
189.09064	6.1
191.10657	5.2
192.09331	4.1
193.10126	6.6
195.08144	6.3
195.11719	6.2
196.12427	4.2
197.09550	14.2
197.13248	7.8
199.11188	16.8
201.09084	4.6
201.12752	13.2
203.10776	3.7
206.10904	4.9
207.11697	11.5
209.09601	7.4
209.13234	6.7
210.10361	6.6
211.11206	11.6
213.09087	5.4
213.12842	3.1
215.10664	10.1
217.10164	5.3
217.12209	5.9
220.12602	3.7
221.13290	10.3
223.11140	3.8
223.14832	9.0
225.09166	5.9
225.12683	22.3
227.10686	8.6
229.12222	23.2
231.11610	5.2
231.13768	6.4
232.12442	6.7
233.09618	3.7
233.13341	6.2
233.15425	12.0
235.11188	6.9
235.14790	7.6
237.12726	8.3
237.16408	5.5
239.14241	7.6
242.45767	3.4
243.13849	11.6
244.12090	2.9
247.11032	4.0
247.15051	3.7
248.12082	3.0
248.15550	4.8
249.12839	5.6
251.14218	5.4
253.12320	3.0
257.08206	3.7
258.14050	3.5
259.11270	3.2
261.12564	6.2
261.14877	6.4
263.14267	7.0
265.15869	6.2
267.14044	4.9
271.14725	6.1
273.12579	4.5
275.14410	5.0
276.15189	3.0
285.15390	3.0
287.14319	6.2
287.17819	4.6
289.15927	4.2
291.17264	4.1
297.12698	3.6
299.14160	6.0
300.15015	3.2
301.15982	4.4
305.18774	6.4
307.16809	4.7
310.16132	3.8
313.15659	3.2
314.16815	3.1
315.17361	19.0
317.15393	6.9
325.15759	4.7
329.18954	8.0
331.16956	6.0
333.18552	26.3
339.17590	3.1
342.16516	3.4
343.16840	13.5
347.20135	16.7
357.18546	13.1
361.17853	8.7
373.17883	4.0
375.19595	28.1
385.18002	8.0
389.21130	21.0
393.20981	3.0
403.19122	14.8
405.20679	3.6
407.22174	55.8
417.20621	39.1
435.21686	50.9
503.23843	5.5
521.25391	9.4
561.25134	18.4
603.29413	5.0
621.26025	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	621.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.05503	10.3
55.05747	2.8
55.42909	2.1
61.45522	2.4
62.19555	2.5
67.05488	8.5
69.03418	9.2
69.07064	10.7
69.50165	6.7
69.50587	11.5
71.05013	3.3
79.05498	9.5
81.03410	4.1
81.07045	12.0
83.04990	3.5
83.08608	3.5
85.06544	3.8
87.04463	3.0
91.05502	17.2
93.07037	13.0
95.04974	10.0
95.08604	13.3
99.04470	6.7
103.05473	29.0
105.03384	2.7
105.07022	18.7
107.08582	20.1
107.27213	2.2
109.06538	6.4
109.10164	6.1
115.05432	4.9
117.07024	8.5
119.08595	27.4
121.06491	5.4
121.10161	12.7
123.08040	3.6
127.03925	5.8
128.06238	5.3
129.06990	10.3
131.04037	4.5
131.04944	61.5
131.08565	25.1
133.06482	4.8
133.10124	17.4
135.08041	5.4
135.11670	7.3
141.06995	6.0
142.07755	7.9
143.08585	25.1
145.06543	3.9
145.10110	21.8
147.08110	5.4
147.11688	10.5
149.05986	3.3
149.09633	5.0
153.07043	4.5
155.08553	12.8
156.09373	9.0
157.10136	31.8
158.10887	3.1
159.08083	9.8
159.11713	19.5
161.06013	3.3
161.09622	6.3
161.13297	4.2
165.06972	6.0
167.08578	9.0
168.09290	4.5
169.10127	25.0
171.08011	5.4
171.11676	23.7
173.09589	8.0
173.13257	11.0
175.11162	6.3
177.09091	2.9
179.08588	11.3
180.09384	7.9
181.10167	18.9
182.10933	5.5
183.11705	20.3
185.09589	4.7
185.13249	13.0
187.11168	8.0
188.91522	2.7
189.09113	6.9
192.09341	3.7
193.10127	11.5
193.11986	3.4
194.10902	9.9
195.11720	32.4
196.12457	4.3
197.09627	4.8
197.13264	21.1
198.14072	3.2
199.11218	8.8
199.14758	4.4
201.12694	12.4
203.10675	5.2
205.10190	3.9
206.10931	6.2
207.11719	16.8
208.12502	6.4
209.13284	24.6
211.11273	5.8
211.14793	19.3
212.15640	3.9
213.09059	2.9
213.12776	5.9
215.10693	8.0
217.10382	3.0
217.12286	7.7
218.10867	2.5
219.11781	3.5
219.13829	3.8
220.12473	4.7
221.13339	16.3
223.11287	4.0
223.14841	39.6
224.15691	2.8
225.12820	6.3
225.16360	7.8
229.12228	3.7
231.13872	6.7
232.12498	5.2
233.13451	6.0
234.14070	2.9
235.11292	4.7
235.14780	11.4
237.12755	5.3
237.16428	13.1
239.14279	3.1
239.18019	4.9
241.12216	8.3
243.13748	8.8
247.15027	12.1
248.15527	5.3
249.12822	4.6
249.16400	12.0
251.14413	3.5
253.12260	4.5
253.19519	3.3
255.13918	7.8
259.13434	9.2
261.16409	5.5
263.14429	4.0
263.17972	9.8
265.15942	10.0
265.19464	16.8
269.15457	7.2
273.16281	4.0
279.13666	3.7
279.20956	4.2
281.15417	3.3
283.16937	11.2
283.20441	5.4
289.19266	3.6
293.15424	4.5
295.15509	7.9
305.15582	4.8
305.19031	13.9
307.17142	4.5
307.20264	13.0
311.16260	3.0
313.18051	3.0
319.16809	3.2
323.20010	11.5
325.18246	5.2
325.21603	100.0
331.20383	4.1
337.17975	8.9
343.22824	3.9
349.21558	3.4
351.19357	3.7
355.18927	5.3
375.23239	7.3
379.22794	6.0
385.23779	4.5
393.24194	7.9
397.23657	4.1
419.18997	5.5
421.23694	11.8
427.24878	6.3
429.22662	17.7
437.19446	14.6
439.24908	20.6
455.21155	5.2
457.25934	12.5
489.25027	6.3
585.24524	7.9
603.26715	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	621.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01869	3.3
55.05510	10.7
67.05514	15.4
67.16521	2.1
69.03423	12.8
69.07066	9.6
69.52445	17.3
71.04989	5.8
71.44154	2.0
73.75465	2.6
77.94539	3.0
79.05485	14.3
81.03419	10.4
81.07056	15.3
83.04961	4.3
83.08630	5.8
85.02917	4.4
85.06561	3.7
87.04468	3.4
87.48705	2.7
91.05476	11.2
93.07034	13.2
95.04958	7.2
95.08615	17.1
97.02914	3.7
97.06525	5.7
98.20707	2.3
99.04531	4.5
103.05430	4.1
105.03415	3.4
105.07036	23.8
107.04914	2.7
107.08597	17.6
109.06540	6.3
109.10161	11.0
111.08092	2.6
115.05462	4.0
117.07023	8.8
119.08587	24.8
121.10140	11.2
123.08105	3.0
127.03906	7.0
128.06224	5.5
129.07005	9.8
131.08588	18.4
133.06560	4.0
133.10132	19.4
135.08064	6.0
135.11685	7.9
137.06018	3.1
137.09645	3.3
141.06981	5.8
142.07770	7.9
143.08566	23.6
145.06491	4.0
145.10146	22.9
147.08054	3.6
147.11670	11.9
149.09680	2.8
153.07019	3.8
155.08563	15.1
156.09375	5.7
157.08922	4.0
157.10118	32.6
159.08063	3.9
159.11719	17.0
161.09608	4.9
161.13228	6.5
163.07492	2.8
163.11174	2.9
165.07069	5.7
165.09143	4.1
167.08537	5.2
168.09340	2.9
169.10143	21.6
171.11687	19.0
173.09641	6.0
173.13307	7.8
175.11221	5.3
177.09126	2.7
179.08572	8.7
179.10680	5.2
180.09387	4.0
181.10147	18.0
182.10867	5.1
183.06511	2.4
183.11708	29.2
185.09653	3.7
185.13293	12.4
187.11200	5.7
189.09164	3.3
191.10614	2.8
192.09315	3.2
193.10172	10.2
193.12202	5.5
194.10915	11.7
195.11694	27.8
196.12431	8.4
197.13284	24.0
199.03889	2.7
199.11192	6.7
199.14845	6.9
205.10202	3.5
205.12280	4.2
206.10982	5.2
207.11742	13.1
208.12518	9.1
209.13235	21.9
210.14171	3.6
211.11229	5.4
211.13110	3.1
211.14891	19.2
213.12738	4.0
217.12210	6.1
219.11731	8.5
219.13770	3.9
220.12422	4.5
221.13344	22.5
221.15288	4.8
223.14841	37.0
225.12810	3.3
225.16400	8.1
229.12233	2.7
231.13844	8.4
233.13242	9.8
235.14848	8.3
237.16444	8.3
239.17981	6.8
241.12283	6.3
245.13266	5.4
247.14832	10.9
249.16405	7.4
251.14304	4.9
251.17900	6.0
255.13815	5.5
257.15344	4.3
261.16562	4.0
263.17914	7.4
265.15915	9.7
265.19449	13.8
269.15451	5.2
273.16641	2.3
277.16013	4.0
277.19501	3.7
279.21033	6.6
281.15619	3.8
283.16965	8.4
283.20459	4.5
291.17532	4.8
305.19025	15.2
307.20532	19.0
323.20117	11.1
325.18393	4.0
325.21606	100.0
333.21805	3.4
337.17859	3.4
339.19855	3.1
343.22562	4.5
351.19531	4.1
375.23138	8.4
379.22687	6.6
385.23688	2.9
393.24207	6.5
397.23904	3.7
411.25775	2.9
421.23938	14.4
427.24686	7.4
429.22769	20.5
439.24753	26.9
445.08246	2.7
447.23822	3.1
457.26077	11.4
459.27414	2.8
489.24490	5.0
603.31067	2.9
621.32544	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	621.2709
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.01865	0.8
55.05518	1.9
67.05500	0.9
69.07067	0.4
71.55112	0.3
71.55455	0.3
79.05497	1.6
81.03428	1.1
81.07061	0.8
83.04984	2.8
91.05498	2.8
93.07039	0.5
95.04975	1.4
95.08603	0.7
105.07046	1.1
107.04951	0.6
107.08614	0.6
109.06516	0.3
115.05506	0.4
117.07021	1.1
119.04914	0.4
119.08581	2.2
121.06502	0.4
128.06230	0.5
129.07024	2.0
131.04932	0.5
131.08562	2.1
133.06567	0.4
133.10168	0.5
135.08093	0.4
135.11819	0.3
142.07776	0.5
143.08612	1.3
144.09396	0.4
145.06526	0.9
145.10129	1.3
147.08064	4.8
149.09604	1.7
155.08568	0.5
156.09338	0.5
157.10118	1.8
159.08076	4.2
159.11694	3.8
161.05907	0.3
161.09647	1.5
167.08545	0.3
169.10133	1.4
171.08084	0.4
171.11685	2.1
173.09662	1.3
173.13290	1.2
175.07571	1.2
183.11667	2.3
185.09680	0.4
185.13391	0.5
187.11171	1.1
195.11862	0.4
197.09702	0.8
199.11237	0.7
201.12799	1.0
207.11748	0.5
211.11189	0.4
215.10765	0.6
221.13068	0.3
225.10291	0.3
225.12828	0.3
227.10727	0.5
229.10289	0.4
229.12143	1.4
231.13838	0.4
233.15353	0.9
243.13867	0.7
251.11777	0.3
261.14902	1.1
273.12851	0.6
284.12238	0.4
285.12762	0.5
287.14386	0.4
289.16006	0.5
300.15070	0.4
312.14792	0.3
313.15976	0.3
315.17426	1.6
329.19180	0.5
333.18597	0.7
343.17017	0.5
357.18365	0.7
373.14426	0.4
375.15683	0.6
375.19742	0.8
385.17688	0.5
387.16223	0.6
388.16812	0.8
389.17117	2.5
389.21466	0.9
390.18549	1.3
391.19266	0.9
401.17496	1.0
402.14148	0.3
402.18759	1.8
403.19403	5.3
404.20190	2.1
405.20740	2.1
407.22372	1.9
415.15140	0.5
415.19888	0.5
416.16150	0.8
416.20572	0.9
417.16925	2.9
417.21753	4.3
418.17172	0.8
418.21866	1.0
419.22424	7.5
420.23074	0.9
427.19131	0.3
430.17679	0.8
431.18216	6.9
431.23596	0.7
432.19101	2.4
433.19922	2.4
435.21552	2.0
443.18680	1.0
444.19513	0.8
445.20129	5.7
446.21014	5.4
447.21768	8.9
447.27716	0.5
448.23291	0.4
459.21814	2.6
460.18900	1.2
461.19788	1.3
463.21576	0.4
473.19766	1.3
473.24506	0.3
474.20285	4.8
475.21265	7.6
477.23206	0.7
487.21332	3.8
488.22049	1.0
491.20847	0.9
501.22858	2.2
502.23755	0.4
505.20801	0.3
505.25961	1.1
506.23267	0.4
518.22943	0.6
519.20349	0.6
521.25574	0.7
529.22430	0.4
533.25555	16.6
534.25787	0.4
546.22852	0.4
561.25012	23.6
562.25482	0.6
565.27832	0.7
589.24518	1.5
593.27539	3.9
621.27112	100.0
622.27557	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	621.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15437	0.4
65.79088	0.4
69.96970	0.4
69.98792	2.3
73.59319	0.4
75.89836	0.4
79.90392	0.4
98.21393	0.5
104.10830	0.4
110.94375	0.4
114.16718	0.4
126.07438	0.5
155.01634	0.5
204.06596	0.4
209.10712	0.6
211.87128	0.4
214.65866	0.4
221.10876	0.5
223.12242	0.7
235.12219	0.5
255.51984	0.4
257.55005	0.5
373.13766	0.5
374.15350	0.8
375.15814	0.5
387.16119	1.0
388.16641	1.5
389.17679	3.4
390.18405	1.9
391.19321	0.6
401.17773	1.7
402.18503	1.6
403.19385	6.6
404.20090	2.6
405.20798	1.5
409.95178	0.5
415.14886	0.6
415.19540	0.7
416.15576	2.0
416.20834	0.7
417.16940	3.7
417.20956	3.2
418.16928	0.6
418.21451	1.5
419.17627	0.7
419.22464	7.4
420.22897	0.5
429.16650	0.8
430.17810	1.2
431.18140	8.4
432.18991	2.1
433.20322	2.0
443.18506	0.6
444.19467	1.2
445.20181	7.3
446.21060	5.1
447.21835	10.7
457.20294	0.7
458.21384	0.4
459.17926	2.3
459.22742	1.1
460.18127	0.7
460.23431	0.6
461.19687	1.3
473.19531	1.5
474.20435	9.7
475.21243	15.6
487.21323	4.3
488.22021	1.4
501.22827	3.2
505.26007	1.3
517.21942	0.7
518.22949	0.5
529.22437	1.2
533.25378	11.6
546.21783	0.6
561.24957	75.2
562.25189	2.3
589.24438	2.6
593.27405	2.8
621.27069	100.0
622.27118	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	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
60.35872	0.2
66.40192	0.2
70.16750	0.2
84.23795	0.2
111.00321	0.3
120.17101	0.2
166.71381	0.3
172.44070	0.2
227.98676	0.2
324.14890	0.3
328.61850	0.3
375.16238	0.7
387.16205	0.7
388.16852	0.8
389.17719	2.1
390.18372	0.8
391.19083	0.6
401.17865	0.7
402.14224	0.3
402.18692	0.9
403.14853	0.5
403.19632	3.2
404.19907	1.6
405.20688	1.7
415.14932	0.4
415.19873	0.6
416.16434	0.8
416.20868	0.4
417.16251	3.0
417.21255	1.4
418.17245	0.5
418.21814	0.8
419.17725	0.4
419.22513	4.9
420.23160	0.5
429.16739	0.4
430.17987	1.0
431.18091	4.6
431.23608	0.6
432.19012	2.1
433.20279	2.1
437.15677	0.2
443.18799	0.7
444.19431	0.5
445.20132	5.0
446.21060	5.6
447.21820	7.8
448.22781	0.3
458.21335	0.3
459.22998	1.8
460.18384	0.4
460.23596	0.4
461.19781	1.0
463.21512	0.5
472.19586	0.3
473.19504	0.9
473.24225	0.7
474.20438	4.9
475.21362	5.7
477.23230	0.4
487.21399	2.5
488.21893	0.7
491.20239	1.2
501.23172	1.7
502.23383	0.4
504.22040	0.3
505.26004	1.0
518.22693	0.4
519.20087	0.4
529.22491	0.6
533.25555	12.9
546.22504	0.5
561.25031	17.4
562.25299	0.5
589.24756	1.1
593.27740	3.0
621.27124	100.0
622.27576	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2708
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.17864	0.6
57.07066	0.9
62.20083	0.5
67.05503	1.7
69.07071	0.9
69.19491	5.7
71.08626	1.0
79.05494	0.8
81.03413	0.9
81.07067	1.5
83.08611	0.7
91.05494	1.3
93.07055	0.8
95.04971	0.6
95.08640	1.4
98.20702	1.1
105.07044	1.2
109.10205	0.7
147.52301	0.6
165.00369	0.6
204.27567	0.6
205.07632	0.7
211.13458	0.8
215.74454	0.6
245.10896	0.6
249.10129	0.7
312.83533	0.5
388.17599	1.0
389.17728	1.9
390.18637	0.7
402.18420	1.5
403.19440	3.2
404.19943	2.0
405.20740	1.1
415.19766	1.2
416.20233	1.3
417.16855	2.0
417.20959	2.1
418.21930	1.1
419.22583	3.7
429.21442	0.7
430.17676	0.9
431.18665	2.2
431.22745	2.2
432.19281	1.0
433.24194	1.6
443.18747	1.2
445.20569	3.9
446.20786	2.7
447.21417	4.6
459.17752	1.9
459.22256	1.8
461.19809	0.8
473.23453	2.0
474.20288	5.9
475.21198	11.6
487.21484	5.2
501.23050	5.4
502.23688	1.9
505.25995	1.8
518.23499	1.0
523.39581	3.2
529.22443	1.3
532.60712	0.7
533.25635	8.3
547.23370	0.9
561.25018	34.8
562.25385	1.8
589.24921	2.8
590.25525	0.8
593.28186	1.1
621.27106	100.0
622.27386	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.0
53.03945	13.7
55.01861	3.7
55.05516	10.3
57.03421	5.0
57.05327	1.7
57.07075	2.1
61.86117	1.6
65.03931	2.8
67.05509	19.5
67.72591	2.0
69.03426	12.2
69.07063	7.0
71.04987	5.8
71.28643	3.7
73.99809	1.8
77.03913	2.3
79.05496	21.8
81.03425	36.8
81.07066	23.5
83.01341	2.6
83.04990	9.4
83.08620	9.0
85.02899	9.4
85.06577	2.2
91.05492	28.2
93.07051	22.9
95.01344	1.8
95.04974	28.9
95.08630	11.9
97.02890	6.8
97.06541	4.4
97.10177	2.3
103.05476	7.0
105.03403	100.0
105.04516	4.7
105.06396	2.6
105.07046	35.5
105.07742	1.3
107.04967	8.6
107.08597	17.0
109.02882	4.8
109.06509	9.9
109.07173	1.6
109.10162	8.5
111.04475	3.5
111.08058	3.7
115.05466	6.1
116.06268	2.0
117.07009	15.0
117.10037	1.6
118.86682	2.0
119.04937	3.3
119.08585	26.1
121.02884	2.9
121.06548	8.8
121.10126	8.6
123.04449	5.9
123.08082	4.9
123.11705	2.7
125.05962	2.0
125.09637	3.3
127.03902	2.3
127.11315	2.3
128.06227	2.9
129.05415	1.7
129.07005	11.8
131.04924	10.8
131.08571	22.5
133.06471	9.9
133.10136	22.4
135.08055	10.6
135.11713	3.7
137.05975	4.2
137.09621	3.8
141.06982	6.5
142.07794	7.5
143.08566	19.3
144.09308	1.9
145.06511	15.5
145.10133	18.0
147.04401	2.5
147.08089	11.5
147.11708	8.3
149.06004	2.8
149.09665	9.4
151.07426	2.5
153.07111	2.1
154.07796	2.4
155.08614	9.8
156.09338	10.5
157.06529	3.8
157.10153	23.4
159.08089	12.9
159.11705	9.3
161.05986	16.0
161.09604	17.8
161.13326	2.5
163.07520	9.9
163.11215	3.6
165.06996	5.8
165.09108	4.5
165.12790	2.2
166.07857	2.5
167.07204	1.9
167.08560	3.7
168.09227	2.6
169.06480	2.8
169.10141	15.1
170.10887	5.1
171.08040	6.5
171.11711	34.0
173.05966	8.4
173.09554	9.9
173.13202	4.4
175.07570	6.7
175.11212	5.7
177.09120	6.7
179.08600	4.6
179.10710	3.4
180.09422	2.8
181.06589	1.7
181.10115	6.2
182.10866	2.4
183.08067	4.4
183.11734	22.3
184.08844	2.5
184.12476	3.3
185.09637	7.4
185.13284	22.4
187.07571	4.5
187.11169	7.0
189.05473	8.8
189.09129	3.8
189.12749	4.3
191.07112	2.3
191.10667	6.1
192.09192	1.8
193.10143	5.4
193.12251	8.6
194.10983	1.9
195.11711	8.8
197.09605	5.8
197.13264	7.4
198.10417	4.2
199.11227	19.5
200.11993	4.3
201.05623	2.0
201.09125	5.1
201.12772	5.6
203.10687	4.0
203.14330	1.7
205.12149	2.3
206.10918	4.4
207.11748	9.7
207.13481	2.0
208.12534	2.3
209.09666	4.4
209.13220	7.2
211.07578	2.3
211.11194	6.4
211.13312	6.1
213.09119	4.4
213.12759	20.0
215.08739	2.8
215.10742	6.3
217.08475	3.3
217.10316	2.7
217.12187	4.2
219.10066	2.7
219.11961	2.2
220.12444	3.3
221.09644	2.2
221.13278	5.8
223.11205	6.1
223.14851	3.7
225.12759	4.6
227.10634	5.1
229.12254	6.0
230.10950	2.7
231.11699	6.2
231.13831	17.3
232.12563	3.6
233.13310	5.3
234.10330	2.4
234.13972	2.3
235.14900	3.7
237.12730	4.1
237.16412	2.1
239.10622	3.5
239.14308	2.0
241.12260	8.5
243.09834	2.2
243.11879	2.4
245.13423	5.2
247.11131	2.7
247.14886	5.6
249.09081	2.0
249.12740	2.3
249.16820	2.2
251.14227	2.9
253.12370	2.7
256.12408	3.0
257.13446	3.7
259.11029	2.7
259.12970	11.7
260.15714	3.3
261.16446	2.8
262.13086	2.4
263.10626	2.6
263.14456	2.0
265.12396	2.1
267.11594	3.6
271.14914	2.6
273.14886	2.9
275.17551	2.2
277.14282	5.0
285.16562	3.3
287.18057	3.3
293.15207	2.1
293.18985	2.4
299.14404	2.8
301.14536	6.3
303.13504	2.7
305.12009	2.1
305.15384	5.5
313.15607	2.3
315.17368	3.3
317.15375	5.1
319.16708	3.5
321.18359	4.9
325.15744	2.3
331.16895	5.0
331.20453	2.1
333.18439	3.9
338.18884	2.1
339.19556	2.5
342.15982	3.9
343.16867	9.0
347.20172	3.9
355.13715	2.2
355.28470	2.4
357.18384	12.5
361.17944	9.2
373.18130	5.4
375.19437	16.4
379.18970	2.9
385.17889	11.0
385.22864	3.5
391.18719	4.4
393.20297	6.9
403.19150	37.0
403.24448	4.2
421.20117	34.7
439.21112	9.8
459.27359	5.1
463.21075	3.8
481.22421	9.3
525.22833	2.2
565.30035	2.4
567.28864	2.2
585.30463	7.1
603.24481	3.9
603.32684	3.4
621.33405	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	621.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.3
51.99488	1.4
52.93433	1.6
53.03947	5.4
55.01876	18.2
55.05520	7.8
55.49169	1.4
60.60843	1.3
62.09251	1.5
65.03937	4.4
67.05512	8.6
69.03418	6.2
69.07073	2.8
71.04999	3.2
71.55147	3.1
77.03951	1.4
77.25603	1.6
78.26273	1.5
79.05496	13.3
81.03426	15.3
81.07058	9.0
83.04988	11.0
91.05486	41.1
93.07044	12.2
95.01340	3.1
95.04981	23.5
95.08609	4.0
97.06547	3.6
103.05459	7.3
103.18408	1.5
105.03396	44.7
105.04514	2.5
105.07044	23.8
107.04960	9.8
107.08614	10.9
109.06506	8.0
109.10169	2.9
111.08077	2.1
115.05463	18.5
116.06235	4.9
117.07026	27.2
119.04938	1.9
119.08592	42.8
119.91487	1.3
121.06511	7.7
121.10143	5.4
123.04456	1.9
123.08060	2.5
125.05984	2.4
128.06223	9.7
128.07001	1.4
129.07019	28.1
130.07774	5.3
131.04958	8.2
131.08582	28.3
133.06525	8.1
133.10139	13.2
135.08066	15.7
137.05991	1.9
141.07005	6.3
142.07788	5.8
143.08578	20.1
144.05725	3.4
144.09377	3.2
145.06485	24.9
145.10135	21.3
147.08057	100.0
147.11719	2.3
149.02377	1.6
149.05960	1.5
149.09625	7.9
151.07574	2.1
153.06955	2.2
154.07750	2.6
155.08528	11.1
156.09363	8.2
157.06442	2.8
157.10143	34.1
158.07297	4.8
159.08066	56.1
159.11693	34.4
161.06009	3.5
161.09631	19.2
163.07555	53.4
163.11150	4.4
165.07042	4.7
165.09109	3.9
166.07861	2.2
167.07178	2.6
167.08563	3.7
168.09311	4.6
169.10139	16.7
170.10910	3.3
171.08038	6.0
171.11700	24.4
172.08797	4.8
173.06049	7.8
173.09639	33.4
173.13319	10.0
175.07558	13.1
175.11217	6.5
177.09035	7.1
179.08601	5.0
180.09294	2.3
181.10120	5.2
183.08099	3.3
183.11697	35.6
185.09683	10.4
185.13260	12.3
186.10252	1.9
187.07556	5.3
187.11198	14.7
189.09084	5.5
191.10637	3.2
193.04985	2.4
193.10159	4.6
194.10933	2.4
195.08153	2.7
195.11725	5.9
196.08932	3.3
197.09534	10.0
197.13223	3.2
198.10388	3.7
199.07550	3.2
199.11198	13.3
201.09206	10.3
201.10941	2.1
201.12744	17.3
203.08762	2.0
203.10748	4.8
205.08525	2.7
205.10286	2.3
205.12292	2.7
206.10934	2.3
207.08241	1.8
207.11777	8.8
209.09622	5.5
209.13263	6.3
211.07593	1.7
211.11177	7.3
211.14767	2.0
213.09157	2.6
213.12778	11.2
215.10701	12.5
217.08533	3.8
217.10361	3.5
217.12131	7.5
218.10928	1.8
219.10060	2.5
219.11806	3.7
219.13754	17.0
220.12456	3.6
221.13278	5.1
222.13940	2.1
223.11189	5.6
225.09004	2.3
225.12735	5.5
227.10695	5.5
229.12204	17.7
230.10861	2.0
231.10135	5.0
231.12025	2.4
231.13838	2.8
232.12497	2.6
233.13469	3.0
235.11174	2.8
235.14909	3.2
237.12775	5.5
239.10834	3.1
239.14543	1.6
241.12352	3.7
242.12932	1.8
243.11769	2.2
244.12610	3.3
245.11461	10.4
246.13745	1.6
247.11057	2.0
247.13120	17.4
249.12720	3.3
249.16562	2.5
251.14255	2.3
256.12500	1.6
257.11459	3.9
257.13589	2.5
258.14145	2.4
259.11099	3.4
260.11884	2.9
261.12952	3.7
261.16373	2.0
263.14380	3.3
267.13828	2.7
270.14053	2.3
271.11179	1.9
271.14874	4.0
273.12524	4.1
274.13571	1.7
275.12527	7.4
277.15933	2.5
285.12787	4.6
285.16483	2.4
286.13635	2.2
287.14301	3.1
289.15765	3.7
289.19101	1.6
291.13773	3.2
291.17203	1.9
293.13885	1.8
299.14395	5.1
300.15091	2.5
301.15884	3.9
303.17545	2.4
305.19138	2.0
310.13916	1.9
313.15680	2.4
314.16736	2.6
315.17343	8.3
317.15280	2.6
319.13367	3.0
321.14795	2.6
329.18701	3.0
333.18451	5.9
335.16309	3.0
343.16843	5.1
343.20764	2.0
347.20105	3.6
357.18430	11.0
359.16376	2.9
361.17984	6.5
373.17813	2.6
375.19513	24.8
377.17264	4.9
377.21356	4.3
379.19080	1.7
381.17136	2.3
385.17978	5.1
393.20636	17.1
395.18576	3.4
403.19019	16.3
421.20084	32.2
435.21231	3.2
439.21106	9.9
481.22324	2.0
499.23462	1.6
561.24847	4.4
621.25623	6.5
621.48401	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	621.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53225	2.2
53.03948	14.0
55.01861	3.9
55.05515	28.3
57.02979	2.1
57.03434	7.2
57.07067	2.3
65.03950	2.5
67.05504	28.7
67.94254	2.4
69.03416	10.6
69.07062	9.1
69.18453	25.0
71.04990	5.4
77.03928	3.9
79.05502	30.8
81.03421	21.0
81.07061	27.7
83.04987	19.1
83.08629	8.1
85.02906	7.7
91.05480	36.3
93.07047	27.4
95.04976	22.2
95.08609	17.6
97.02887	7.6
97.06532	7.8
97.10168	13.7
103.05475	13.1
105.03400	100.0
105.04482	5.3
105.07031	31.5
107.04954	8.5
107.08598	22.8
109.02872	10.7
109.06512	7.0
109.10180	9.0
111.04427	4.4
111.08089	3.4
111.76476	2.4
115.05449	6.6
117.07022	25.7
119.04922	3.1
119.08591	33.7
121.06522	12.0
121.10160	12.0
123.04431	4.1
123.08100	6.5
125.06014	3.4
125.09657	13.9
127.03921	3.2
128.06189	8.0
129.07018	18.1
131.04919	19.8
131.08560	27.7
133.06494	8.9
133.10143	34.0
135.08018	11.3
135.11745	4.4
137.05989	3.7
137.09627	3.2
141.06987	8.3
142.07806	8.4
143.08562	17.0
145.06462	9.1
145.10126	18.2
146.07315	2.4
147.08006	12.7
147.11703	5.3
149.06047	2.6
149.09637	7.4
153.06978	3.5
155.08559	14.3
156.09372	8.6
157.06558	4.9
157.10094	18.5
159.08066	9.9
159.11713	10.0
161.05998	5.9
161.09621	11.6
163.07567	6.7
163.11154	4.5
165.05569	2.5
165.06934	4.8
165.09174	3.8
166.07845	3.7
167.08551	6.8
168.09378	4.7
169.05002	5.9
169.10130	18.9
170.10918	5.7
171.08075	8.8
171.11662	16.1
173.04446	4.1
173.09612	12.4
173.13258	4.1
175.07599	4.8
175.11185	5.0
177.09093	4.7
177.12778	2.6
179.08588	5.8
180.09473	3.8
181.10066	12.0
182.10890	3.6
183.08057	4.9
183.11693	17.4
185.09583	7.2
185.13272	10.5
187.07597	3.2
187.11186	6.8
187.14812	6.6
189.09134	3.5
189.11211	7.2
189.12801	3.4
191.10640	4.7
193.10175	12.0
194.10933	5.5
195.08055	5.4
195.11787	11.5
196.08852	3.1
197.09615	8.8
197.13251	19.6
199.11211	17.4
201.08925	3.1
201.12863	4.9
203.08688	3.1
203.10504	2.6
205.10158	4.0
206.10909	5.3
207.11752	11.7
208.12491	5.7
209.09685	5.1
209.11501	3.1
209.13274	9.7
211.11151	8.0
213.12810	13.3
215.10719	3.7
215.14313	24.2
217.10249	4.7
217.12206	3.0
219.11766	5.8
220.12424	3.7
221.09724	4.1
221.13258	10.9
223.11188	6.1
223.14847	7.7
225.12682	6.5
227.10713	3.2
227.12758	8.7
231.11685	6.2
231.13730	4.5
232.12445	5.6
233.13269	8.1
234.14178	3.8
235.11240	3.9
235.14845	7.2
237.12753	7.3
239.14355	4.5
241.12321	5.4
243.11766	3.7
243.13892	5.7
244.12476	2.9
245.13348	6.6
246.10393	3.0
246.13943	3.7
247.14835	8.3
249.12819	4.6
249.16457	4.9
251.14413	7.2
253.12259	3.2
253.16019	3.2
257.13309	4.7
258.13937	4.0
259.11136	4.2
259.14902	6.4
260.11920	2.5
260.15674	4.1
261.12851	4.4
261.16418	3.6
263.14291	6.3
265.12222	3.4
267.11578	3.0
270.13971	4.3
271.14789	4.8
272.15781	3.6
273.12732	4.1
273.16452	7.9
274.13513	3.3
275.14282	4.5
275.17874	3.0
277.15961	5.4
281.11658	3.2
285.12799	5.8
285.16208	4.8
287.14496	2.5
287.17831	4.0
289.15729	5.1
299.14520	3.8
301.15839	4.5
303.14044	4.1
303.17435	8.0
305.19019	3.7
311.17767	3.9
315.17236	4.9
317.15286	3.3
319.16904	3.8
319.20441	3.7
321.18600	4.4
329.19141	6.0
331.16895	4.4
331.20361	3.1
333.18399	3.7
338.27887	2.8
339.16129	7.0
339.23474	3.5
345.14822	3.8
347.20053	3.9
349.17947	3.0
349.21658	5.7
357.18463	9.3
359.16199	4.6
359.20273	3.7
361.18100	6.4
363.19711	4.1
367.22711	9.3
369.20502	7.0
375.19601	18.7
377.17300	4.3
379.19183	5.9
385.18073	7.2
385.23428	6.5
391.18939	5.7
393.20584	10.8
395.18347	5.2
403.19159	27.4
403.24579	5.4
411.21497	3.1
421.20068	71.9
439.21115	50.6
441.26407	36.5
459.27438	46.9
477.28580	5.0
481.22040	9.0
487.23212	4.3
499.23032	6.2
519.25671	4.6
543.23462	3.9
561.24597	3.8
603.25342	6.6
621.33917	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	621.2693
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.03942	2.1
53.46627	1.3
55.01873	1.7
55.05502	2.8
67.05492	4.6
69.03437	2.0
70.23784	1.6
77.03944	1.6
79.05499	7.5
81.03405	5.1
81.07056	3.7
83.04975	2.6
91.05485	8.0
93.07041	5.8
95.04983	10.1
95.08628	3.2
97.06528	1.8
100.57964	1.4
100.97364	1.4
103.04797	2.8
103.05479	46.0
105.03374	7.9
105.04520	2.7
105.07033	11.5
107.04958	4.6
107.08598	6.8
109.06512	4.3
109.10194	2.3
115.05497	3.9
117.07012	4.3
119.08588	9.0
121.02882	1.5
121.06490	5.1
121.10146	2.5
123.04411	1.6
123.08091	3.6
128.06241	3.5
129.06960	3.8
131.04942	100.0
131.08603	9.9
133.06473	3.7
133.10127	5.3
135.04378	1.7
135.08049	3.4
137.09563	2.1
138.63478	1.5
141.07002	3.2
142.07774	2.5
143.08600	7.7
145.06499	5.3
145.10114	6.9
147.08031	4.7
149.05968	5.2
149.09613	4.5
153.06854	1.5
154.07755	1.7
155.08528	5.3
156.09361	6.4
157.10133	9.8
158.07199	1.4
159.08070	12.5
159.11728	3.3
160.08746	2.5
161.05974	4.4
161.09595	8.0
163.07605	3.8
165.07002	4.1
167.08487	2.7
169.10110	8.1
170.10957	4.2
171.08055	6.0
171.11726	10.4
172.08777	3.1
173.09645	6.4
173.13280	4.4
175.07535	2.4
175.11180	3.4
177.05437	2.3
179.08603	2.6
181.10165	4.1
182.10812	1.9
183.08025	2.6
183.11720	10.2
184.08794	2.9
185.09604	5.7
185.13245	3.7
187.07571	4.1
187.11176	4.3
189.09166	5.1
191.10597	1.5
193.10181	3.2
195.11739	8.8
197.09651	7.0
197.13266	2.8
199.07468	2.6
199.11192	9.4
200.11932	2.5
201.09160	3.6
201.12758	11.6
203.10657	2.7
207.11723	4.8
209.09631	3.0
209.13223	4.3
210.10490	1.9
211.11185	4.5
213.09187	3.5
213.12758	6.5
215.10677	10.8
217.08591	1.8
217.12308	3.7
218.08684	1.5
219.11879	2.0
219.13820	3.9
221.13417	3.0
223.11217	2.1
223.14897	2.1
225.09117	2.0
225.12749	3.7
227.10735	3.6
229.12219	4.1
231.11830	3.1
231.13846	3.2
233.13373	2.4
235.11220	2.0
236.16031	2.0
237.12744	2.0
241.12209	7.4
243.13828	3.1
247.14737	1.9
249.12822	1.9
249.16452	2.3
250.13606	1.9
253.12306	1.9
254.90843	1.5
259.10913	2.1
259.13281	20.0
263.14270	2.5
265.16043	1.5
277.14264	4.4
279.13861	2.0
289.14362	2.8
291.17233	2.4
293.15378	2.2
295.15393	9.3
307.16946	3.8
319.16891	1.9
325.18100	2.4
325.21558	2.5
330.01935	1.5
337.17960	7.6
347.16367	2.5
353.17505	2.0
355.19305	8.6
367.82288	1.6
371.18845	2.1
373.18814	1.7
389.17184	2.0
395.18445	2.8
401.17435	1.7
409.19617	2.5
419.18451	4.5
432.77658	1.6
437.19672	16.8
455.20789	20.3
473.21762	4.3
476.16827	1.8
485.23029	2.1
585.24805	9.4
603.25690	4.3
621.26611	2.2
633.01898	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
55.01874	2.8
55.05309	1.1
55.05518	12.4
57.03416	1.9
67.05508	7.3
69.03419	3.7
69.07063	4.7
69.76641	3.3
69.77053	6.2
77.03896	1.7
78.94679	1.4
79.05492	6.5
81.03423	10.6
81.07059	12.9
83.04986	11.0
83.08614	5.0
85.02909	2.3
91.05467	11.8
93.07042	10.6
95.04972	12.2
95.08614	10.7
97.06506	4.4
97.10197	1.9
103.05476	54.8
104.05843	1.7
105.03396	24.4
105.04499	2.5
105.07047	16.6
107.04966	4.1
107.08582	7.3
109.02829	1.5
109.06523	4.3
109.10162	6.5
111.04450	2.6
112.23143	1.3
113.24175	1.5
115.05437	3.8
117.07014	6.5
119.04955	3.9
119.08579	13.8
121.06506	4.4
121.10129	4.3
123.04456	2.0
123.08061	2.8
123.11725	3.4
128.06229	2.4
129.06972	5.7
131.04936	100.0
131.08586	12.4
132.05238	2.0
133.06499	5.9
133.10129	7.8
135.08026	5.0
135.11722	3.8
137.09615	2.8
141.07033	1.6
142.07811	3.5
143.08592	6.9
145.06482	5.2
145.10118	6.0
147.04457	2.1
147.08055	6.4
147.11717	3.5
149.05994	5.6
149.09624	4.7
151.07564	1.8
151.11159	1.4
153.07040	1.6
153.09111	1.4
155.08582	4.9
156.09361	8.4
157.06483	2.5
157.10149	12.8
158.07332	1.9
159.08051	11.8
159.11667	4.8
161.05983	7.5
161.09657	7.9
161.13252	1.8
163.07561	4.3
163.11183	2.3
167.08562	3.3
168.09329	2.2
169.10101	7.0
170.10948	3.0
171.08044	6.0
171.11678	14.2
172.08829	2.7
173.06001	3.4
173.09637	10.0
173.13280	4.7
175.07628	3.6
175.11201	4.3
177.05502	1.8
177.09106	4.8
179.07060	4.1
179.08524	2.4
180.09399	1.7
181.06561	1.5
181.10121	4.2
181.12158	1.4
183.08099	2.6
183.11661	11.4
184.08844	3.4
185.09630	6.9
185.13275	7.7
186.10445	2.7
187.07480	2.2
187.11192	5.0
189.05527	3.1
189.09084	5.7
189.12730	1.4
191.10605	1.5
193.10172	3.5
193.12202	4.0
195.11746	7.3
196.08940	2.2
197.09665	6.7
197.13257	3.6
198.10390	1.7
199.07423	2.0
199.11197	10.7
200.11801	1.8
201.09160	2.8
201.12775	9.9
203.10687	1.9
204.09399	1.4
205.10126	1.6
207.11659	1.8
208.12318	1.8
209.09717	2.5
209.13264	4.1
210.10484	1.7
211.11174	5.4
211.13071	2.3
213.09190	2.2
213.12730	9.0
215.10678	7.8
216.09349	1.9
216.11404	2.0
217.08568	4.0
217.12225	4.0
219.11818	2.1
219.13785	1.9
221.11620	3.2
223.11145	2.2
223.14925	1.7
225.12790	3.8
227.10576	1.9
229.10237	2.4
229.12329	3.8
231.13817	2.3
235.20547	2.3
237.12950	2.1
241.12254	7.3
243.13872	2.9
244.12521	1.6
245.13554	2.2
246.14009	2.3
247.11113	2.8
247.14969	2.0
249.12746	4.1
251.14302	1.8
253.12260	2.8
253.21660	3.3
259.13235	24.3
263.10968	1.5
271.13232	2.1
273.15140	1.7
277.14301	9.2
281.21143	14.8
289.14517	3.1
295.15421	9.7
301.14487	3.0
307.13428	1.8
319.17020	2.2
319.26352	5.6
329.15128	2.0
337.17862	4.3
343.16730	3.2
347.16187	1.9
355.19067	4.4
357.18417	4.2
361.17441	3.1
373.18585	1.8
375.19128	4.8
377.17255	2.4
385.17932	4.9
389.18576	1.9
391.18893	1.9
395.18787	1.8
403.19070	11.9
419.18478	3.8
421.20078	10.7
437.19574	11.5
439.21170	2.1
455.20953	11.6
473.21561	3.7
481.22141	2.5
585.23920	3.0
603.25970	6.2
621.25653	3.0
621.31525	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	621.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07146	4.8
53.03947	8.5
55.01873	16.3
55.05515	10.9
57.03438	9.3
67.05511	16.2
69.03417	14.5
69.07080	9.6
71.04990	4.8
71.55302	4.5
75.04498	9.8
79.05503	29.2
81.03410	14.8
81.07066	29.6
83.04977	7.1
85.02928	8.7
85.22680	3.9
91.05489	57.8
93.07032	34.2
95.04972	38.1
95.08602	14.9
97.02883	5.5
97.06552	7.8
103.05468	12.9
105.07037	73.6
107.04959	10.3
107.08604	18.5
109.02898	7.9
109.06539	31.3
109.10161	18.0
111.04451	7.7
113.06010	5.9
114.10435	4.3
115.05466	16.9
116.06227	4.9
117.07004	30.7
119.04954	10.1
119.08588	46.2
120.74473	4.4
121.02908	12.3
121.06519	31.2
121.10155	9.2
123.04430	9.3
123.08070	11.2
125.05996	10.9
128.06239	17.7
129.06993	23.4
130.07828	4.8
131.03473	4.5
131.04938	5.6
131.08575	64.1
133.06500	39.5
133.10130	21.6
135.04407	11.6
135.08081	12.4
135.11713	12.0
137.05997	20.9
137.09610	6.2
139.03931	32.0
141.07030	13.8
142.07793	14.5
143.08559	56.0
145.06493	40.4
145.10120	29.5
147.04457	6.4
147.08044	26.8
149.05991	15.5
149.09677	8.2
151.07544	9.2
153.05444	10.2
153.06970	4.1
155.08603	19.6
156.09337	14.6
157.06532	8.9
157.10133	26.8
158.07251	7.2
158.10974	4.1
159.08072	49.4
159.11766	11.7
161.05978	72.4
161.09630	28.7
163.04022	5.9
163.07529	15.0
165.05513	8.6
165.06953	9.3
165.09128	6.0
166.07809	5.7
167.07120	5.9
167.08557	13.3
169.06497	10.2
169.10199	22.6
170.07289	7.1
171.08060	18.8
171.11749	27.9
172.08812	5.3
173.06033	12.4
173.09637	29.3
173.13271	20.8
175.07561	17.2
175.11229	6.4
175.14882	6.0
177.05498	13.4
177.09151	14.0
178.07819	5.8
179.07036	23.4
179.08609	12.8
180.09410	5.5
181.10133	24.0
183.08029	12.0
183.11694	9.9
184.08873	7.5
185.05930	11.3
185.09662	24.6
186.10403	8.9
187.07504	21.3
187.11237	12.8
189.09074	26.3
191.07039	6.7
191.10681	5.7
193.08586	5.2
193.10173	10.2
194.10925	7.3
195.06502	10.0
195.08116	10.4
195.11714	9.0
197.06013	5.1
197.09651	18.8
197.13266	7.8
199.07550	17.3
199.11198	43.2
200.12016	5.9
201.09132	16.3
201.12750	46.2
203.06955	5.3
203.10629	6.7
205.08466	20.6
207.06573	7.6
207.11775	9.0
209.09631	16.4
209.13351	6.4
210.10365	5.7
211.07559	9.9
211.11168	16.9
211.16972	7.6
213.05615	5.9
213.09050	22.8
213.12700	7.7
215.06953	5.8
215.10654	11.6
217.08528	29.7
217.10365	5.4
217.12140	6.8
219.09973	8.4
221.09799	6.2
223.11267	10.3
225.09160	14.4
225.12691	8.6
227.07042	7.2
227.10649	63.0
229.08482	8.4
229.12131	6.8
231.09961	9.0
231.13765	6.2
235.09700	16.5
237.12669	8.9
239.10704	10.5
239.14197	5.1
241.08545	8.8
243.09935	8.7
245.08002	37.7
245.11771	15.2
247.11328	6.4
249.11131	45.8
253.12367	7.7
255.10045	9.8
256.28729	4.5
265.12219	7.5
267.13870	5.2
273.12885	5.6
273.15985	4.9
281.11652	6.3
285.11566	6.0
287.12766	87.8
289.14523	12.2
293.11670	5.4
303.12497	10.6
305.13852	79.0
307.16763	4.6
313.15094	4.6
331.16928	10.3
335.16730	5.1
343.15768	8.1
345.14963	6.1
347.15189	10.1
349.17947	10.6
357.14856	6.2
359.15945	13.5
361.17551	12.9
363.16064	5.1
369.15018	9.5
375.15454	4.6
377.17343	14.7
379.19009	12.4
384.79108	4.1
387.15784	18.5
391.15356	6.4
403.15408	10.2
405.16864	21.5
406.16211	5.7
407.17056	100.0
409.16449	5.6
415.15405	9.3
419.18521	10.5
423.17206	25.3
425.17963	16.1
433.16458	18.9
435.17957	5.5
437.19525	7.2
441.19183	7.8
447.17944	25.4
451.17471	10.9
453.19022	13.0
461.18201	14.7
465.19040	53.9
479.18808	7.8
481.21051	4.9
483.20184	49.4
499.23364	12.2
501.21021	17.0
525.20892	9.2
567.22009	19.4
573.22955	6.3
585.23352	48.0
603.24597	36.4
621.25201	14.8
639.40973	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	620.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01860	5.6
59.61055	1.7
63.61116	1.5
69.28986	8.4
69.29404	4.6
71.59895	1.6
79.05494	2.9
81.03401	3.2
81.07044	1.8
83.04987	1.9
91.05480	5.1
91.74625	1.5
93.07021	1.7
95.04961	6.4
97.02914	3.4
98.20715	2.7
102.04706	1.5
103.05471	54.8
105.07036	5.8
107.08584	3.2
109.06522	1.9
115.05429	2.4
117.07021	5.8
119.08585	8.6
121.10181	1.6
128.06192	2.2
129.07014	5.5
131.04936	100.0
131.08598	5.8
133.10129	6.6
135.08018	2.4
143.08551	3.4
145.06496	3.2
145.10071	3.7
147.08067	23.3
149.09602	3.4
153.06979	1.6
155.08542	1.8
157.10092	7.7
159.08086	16.0
159.11697	6.1
161.09644	9.5
163.07556	19.6
169.10118	4.1
171.08083	1.7
171.11687	12.1
173.06050	1.7
173.09608	5.9
175.11186	2.2
183.11685	7.0
185.09599	3.2
185.13266	12.3
187.11205	1.7
195.11699	1.8
199.11299	4.0
201.09151	2.0
201.12759	2.2
209.09689	1.6
213.12761	8.3
223.11134	2.1
227.10605	2.8
231.13812	4.3
243.13867	2.3
245.15350	7.8
259.13284	3.8
261.64624	1.5
263.16449	4.7
273.14920	2.2
279.13898	2.1
291.15982	3.7
341.19193	2.1
345.18420	2.5
359.20056	3.1
377.21069	1.6
387.19623	3.3
389.20981	2.1
391.22562	2.9
400.44189	1.6
401.20963	3.4
405.20642	3.3
407.22217	2.8
419.22101	13.1
423.21817	3.0
437.23233	17.1
455.24176	12.9
549.05310	1.7
552.33594	1.8
571.26685	5.5
585.28351	3.3
603.29315	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	619.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77618	0.6
53.03927	2.1
55.01858	1.4
55.05517	15.4
57.03413	2.1
57.07077	5.2
64.94194	0.6
65.03922	2.2
67.05510	42.2
69.03386	0.7
69.07074	23.4
71.04961	2.5
71.08599	2.2
71.55725	0.9
74.09670	0.8
79.05497	21.1
81.03399	1.5
81.07062	46.5
83.04953	1.6
83.08627	16.2
85.06553	3.2
85.10163	0.8
87.04437	2.2
91.05490	22.7
93.06497	1.1
93.07047	20.1
95.04929	2.3
95.08612	37.6
97.06538	4.6
97.10173	9.4
98.98400	0.9
99.08073	1.1
105.04466	1.1
105.06419	0.7
105.07041	10.6
107.04941	1.4
107.08595	10.3
109.06528	1.5
109.09490	1.0
109.10167	13.1
111.08067	3.0
111.11720	3.4
117.07040	5.8
119.08591	9.7
121.06468	1.3
121.10151	9.4
123.08062	1.5
123.11718	3.8
125.09570	2.2
125.10454	0.6
125.13237	0.6
129.06950	1.8
131.08574	7.9
133.10138	10.8
135.08078	3.9
135.11693	8.7
137.09538	2.3
137.13190	1.2
139.11073	1.0
141.06848	1.0
142.07785	0.7
143.08499	1.3
145.10144	6.7
147.11690	5.9
149.09688	3.1
149.10568	0.7
149.13220	3.7
151.11147	1.5
153.12688	1.0
157.10060	2.5
157.66559	0.6
159.11734	5.6
161.09584	1.1
161.13271	3.0
163.11172	2.9
165.12712	1.8
169.10106	0.9
171.11624	2.5
173.13177	2.8
175.11069	1.0
175.14760	0.6
176.17929	0.6
177.12773	5.4
179.14209	1.0
183.11652	1.6
187.14780	0.6
193.12166	1.1
197.13257	0.8
211.13141	2.1
217.19389	2.1
227.12677	0.7
235.20407	1.7
239.17867	2.5
257.05612	0.7
257.19077	3.1
275.17355	1.0
275.20065	13.8
283.15164	12.4
293.67200	0.6
296.15503	0.8
311.25580	1.1
313.21359	1.0
327.25363	5.5
339.17828	3.7
349.23752	24.3
521.37927	2.0
601.45178	3.6
619.41644	100.0
620.42200	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	620.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69878	9.9
53.39608	10.2
55.01872	23.2
55.05501	42.6
67.05501	56.7
69.03429	68.2
69.07050	27.1
69.62980	27.3
69.63411	38.6
71.04995	10.5
79.05481	39.3
80.05891	12.4
81.03413	24.4
81.07045	45.4
83.04972	28.1
85.02897	26.3
85.06551	18.4
86.06041	9.7
91.05486	65.8
92.54791	10.0
93.07046	48.7
95.04964	20.8
95.08600	41.3
97.02901	16.7
97.06511	16.1
99.04459	17.5
103.05476	28.8
105.06470	10.2
105.07055	100.0
107.04958	11.0
107.08613	54.9
108.16770	9.2
108.63229	8.9
109.02831	9.6
109.06520	21.2
109.10154	23.7
113.06007	9.4
115.05452	18.6
117.07039	49.5
119.08580	70.7
120.08895	13.4
121.06477	18.5
121.10113	27.8
127.03886	9.4
127.08371	9.1
128.06267	19.1
129.06990	16.3
130.86353	10.1
131.04915	41.0
131.08530	32.8
133.06534	25.0
133.10150	60.2
134.10394	17.0
135.08064	27.2
138.81880	12.4
139.07582	10.8
141.06999	17.5
143.08559	36.0
145.06477	41.7
145.10109	47.7
146.10442	14.7
147.08032	23.3
147.11684	15.6
149.09650	22.1
155.08597	18.2
157.10135	66.6
158.10654	10.2
159.08032	28.0
159.11592	23.0
161.05948	24.6
161.09587	31.8
163.07512	13.5
163.11214	22.2
165.09036	14.8
167.08430	10.2
169.10117	34.4
170.10890	24.5
171.08040	26.3
171.11696	76.4
173.05931	13.4
173.09607	28.7
173.13275	18.1
175.11237	13.2
177.09035	16.6
181.10056	18.0
183.08014	15.0
183.11697	55.2
185.09573	15.2
185.13219	47.8
187.11150	26.9
189.09041	10.4
191.07037	17.6
193.10243	15.8
195.11630	27.1
196.12070	10.3
197.09631	26.4
197.13216	20.6
198.13763	14.5
199.11168	45.5
200.11803	13.7
201.12796	17.4
203.10487	11.8
207.11629	15.6
208.12360	14.2
209.13254	24.1
211.11325	16.9
213.12683	51.0
217.08650	11.1
221.13280	15.2
223.11208	15.6
227.10472	11.5
229.12286	23.0
231.13861	27.2
234.13927	14.2
237.12866	13.2
241.12256	26.5
243.11589	11.4
243.13771	11.8
245.13400	12.4
259.13284	12.7
309.18506	12.4
319.22699	14.6
343.17032	25.8
357.18634	28.6
361.17838	22.8
373.18097	13.7
375.19342	30.0
385.18048	27.1
391.19168	14.6
394.24377	11.4
398.23907	11.3
403.19168	84.0
421.20163	89.5
422.24179	15.8
439.21133	13.8
458.26224	16.2
463.20999	19.0
481.22076	34.2
553.43719	11.9
567.25989	75.0
585.26489	23.4
602.30115	29.7
620.31738	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	619.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01861	3.5
55.05507	5.8
57.07091	1.5
59.05014	1.5
61.62483	1.2
65.03945	1.8
67.05510	9.0
69.03439	7.5
69.07066	4.8
70.47182	1.3
71.05008	1.5
72.52198	1.3
79.05506	12.0
81.03428	31.4
81.07068	12.3
83.04981	4.0
83.08598	2.5
91.05486	22.0
93.06554	1.7
93.07061	18.3
95.04978	23.9
95.08621	16.9
97.06527	4.0
103.05476	20.0
105.04505	1.4
105.07039	23.5
107.04967	7.5
107.08610	20.2
109.06541	7.6
109.10176	3.2
109.78600	1.1
113.05988	1.4
115.05467	4.2
117.07043	10.9
119.04955	1.9
119.07807	1.5
119.08596	19.2
121.06519	9.0
121.10161	7.4
123.08075	3.5
125.09621	1.4
128.06227	5.4
129.07025	7.9
130.07802	2.5
131.04941	57.8
131.08582	20.2
133.06529	6.8
133.10139	17.1
135.08078	14.8
137.09607	2.6
141.06967	4.6
142.07761	6.5
143.08585	18.7
145.06467	3.9
145.10130	27.5
147.08064	12.4
147.11688	7.1
148.01381	1.3
149.09622	2.8
153.07022	2.4
154.07753	5.5
155.08533	13.4
156.09354	10.3
157.06477	1.6
157.08946	2.6
157.10152	32.6
158.10944	2.2
158.77402	1.5
159.08052	11.5
159.11699	13.8
161.09637	28.7
161.13254	2.6
163.11191	5.9
165.06999	4.0
166.07817	2.4
167.08549	4.6
168.09386	6.4
169.10141	100.0
169.77542	1.2
170.10890	5.0
171.08083	2.7
171.11720	32.1
173.09650	28.1
173.13246	8.6
175.09775	1.8
175.11218	23.7
179.08586	7.1
180.09351	4.0
181.10143	13.0
182.10941	4.5
183.11705	95.9
184.12343	1.8
185.09624	3.7
185.13240	18.6
187.11313	8.4
187.14801	4.0
189.09047	2.1
189.12823	8.6
192.09270	1.7
193.10184	8.5
194.10951	6.1
195.11717	22.4
196.12469	3.3
197.09598	1.7
197.13275	16.4
199.11203	15.1
199.14720	6.5
201.12721	5.9
203.14365	3.6
205.10167	1.6
206.10956	4.9
207.11691	13.0
208.12468	4.9
209.13239	21.6
210.13983	2.9
211.11166	4.5
211.14839	7.2
211.16504	1.3
213.12816	10.4
213.16367	3.2
215.14323	8.1
217.10210	2.4
217.12292	2.1
219.11713	5.3
220.12453	4.6
221.13254	12.3
222.14088	2.9
223.14864	15.0
224.15724	1.3
225.12778	2.9
225.16328	2.8
227.14319	4.1
229.15881	1.6
231.11731	1.6
231.13788	5.4
232.12325	2.9
233.13243	6.7
233.15276	2.5
234.14021	3.9
235.11171	1.7
235.14871	9.0
236.15660	3.2
237.12741	2.5
237.16351	6.3
239.14285	4.2
239.17905	2.0
241.15869	2.8
243.11578	1.8
244.12724	1.6
245.13129	2.5
247.14835	5.6
248.15616	2.3
249.16522	3.7
251.14279	3.2
251.18028	6.4
253.15858	3.8
253.19458	2.2
257.15631	1.8
259.14822	2.6
260.15558	2.0
261.12692	1.8
261.16376	2.1
263.14236	2.3
263.17932	7.9
265.15891	5.3
267.17432	5.3
271.14722	2.1
273.16315	2.5
275.14145	1.8
275.17865	2.6
276.15152	1.6
277.15887	5.1
277.19522	10.1
279.17389	5.4
281.18964	8.0
287.14325	2.6
289.19284	2.2
291.17505	7.5
293.19016	11.4
302.16666	1.5
303.17596	2.5
305.18988	4.3
307.17093	2.7
307.20544	5.2
315.17551	2.1
317.19025	15.6
319.17001	1.8
319.20560	5.5
321.22137	9.4
323.20148	2.9
331.20599	12.2
333.18469	7.6
333.22198	4.9
335.20001	2.7
345.22202	40.4
347.23718	14.3
349.21716	14.0
357.22165	26.6
363.23294	18.3
365.24756	4.9
367.22791	2.3
375.23227	63.6
393.24286	56.2
393.28445	1.2
393.29437	2.3
411.25409	10.8
435.25293	3.0
453.26389	2.8
471.27637	6.4
496.40491	1.3
523.28516	1.6
541.28882	2.7
559.30682	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01874	2.9
55.05523	8.5
55.05762	1.6
64.10464	1.6
67.05505	7.6
69.03432	4.6
69.07068	2.9
69.18085	16.6
71.04987	2.6
73.02911	3.4
79.05492	10.6
81.03428	4.5
81.07066	8.0
83.04984	10.8
88.05660	1.6
91.05481	16.4
93.07060	10.8
94.56654	1.6
95.04947	11.3
95.08623	6.8
97.02908	2.5
97.06519	4.0
101.02399	5.4
103.05474	18.0
105.03390	7.0
105.07020	18.9
107.04971	3.3
107.08598	6.6
109.06541	5.7
109.10183	2.3
111.04466	3.2
115.05474	5.0
117.06995	9.4
119.04927	1.9
119.08565	16.3
121.06492	9.5
121.10169	3.8
123.04443	3.8
123.08067	10.3
125.06000	1.7
128.06201	1.8
129.07004	4.7
130.07787	3.3
131.04938	41.6
131.08565	16.8
133.06509	6.1
133.10144	9.5
135.08054	18.4
137.06006	3.9
137.09647	2.9
141.07010	2.9
142.07817	2.2
143.08548	9.4
145.06499	6.2
145.10143	17.4
147.08078	12.6
147.80040	1.6
149.05978	3.2
149.09627	5.3
151.07700	1.9
153.07028	2.0
155.08545	6.5
156.09335	6.8
157.06441	1.8
157.10138	15.3
158.07262	4.2
159.08058	13.9
159.11713	3.3
161.06001	7.3
161.09666	8.8
163.07547	20.9
163.11176	12.0
165.06984	3.8
167.08507	3.6
169.06491	2.4
169.10100	7.5
170.07382	2.1
170.10872	5.9
171.08051	10.2
171.11688	18.2
172.08861	2.9
173.05934	1.7
173.09628	19.5
173.13266	3.2
174.10295	2.0
175.07559	5.7
175.11142	3.3
177.05484	2.8
177.09102	3.2
179.07074	3.2
179.08563	3.5
179.10777	1.9
180.09338	3.5
181.10117	4.9
182.10991	2.8
183.08066	4.5
183.11693	18.3
184.12367	1.9
185.09599	11.5
185.13266	10.5
186.10333	2.6
187.07541	3.8
187.11201	6.6
189.09114	5.1
193.10144	7.3
194.10835	2.6
195.07988	1.9
195.11711	6.9
196.08789	2.4
197.09668	8.8
197.13255	5.5
198.10457	5.5
199.07509	4.4
199.11169	14.1
200.11911	6.1
201.09119	6.0
201.12762	9.9
203.08701	2.6
203.10770	3.5
205.10266	2.9
205.12225	6.3
206.10881	4.0
207.11717	7.2
209.09679	6.8
209.13281	6.8
210.10501	2.6
211.11212	15.0
212.12079	2.1
213.09259	3.8
213.12756	24.3
214.13422	2.4
215.10710	6.0
217.08588	4.6
217.10382	2.6
217.12177	2.6
218.10974	2.4
219.11749	3.7
220.12500	6.1
221.09660	2.7
221.13205	9.3
222.13998	2.3
223.11201	9.4
223.14815	4.0
224.11952	2.7
225.09184	4.1
225.12756	6.1
227.10724	2.8
229.10165	4.1
229.12234	3.8
231.11818	2.3
231.13811	3.5
232.12480	4.5
233.09683	3.9
233.13316	6.2
234.10365	1.8
234.14078	3.3
235.11163	4.6
235.14803	8.6
237.12868	7.9
239.10756	4.4
239.14438	2.9
241.12285	5.4
243.11736	4.0
243.13928	2.2
244.12573	2.4
245.07983	7.9
245.13321	3.4
245.15469	2.9
246.10570	2.2
246.14005	4.6
247.11133	3.5
247.14792	6.7
248.12070	2.3
248.15692	3.0
249.12808	5.2
249.16431	6.8
250.13547	2.0
251.10812	2.8
251.14288	5.4
251.18010	2.0
253.12212	2.3
253.16179	1.7
255.13930	1.9
256.12387	2.0
257.11691	3.1
258.14056	2.4
259.14920	4.0
260.11877	2.7
261.12750	6.6
261.16431	5.1
262.13647	4.0
263.14301	6.3
265.12259	5.7
265.15903	7.2
267.14078	3.8
267.17352	3.7
271.13699	2.4
272.11902	2.6
272.15594	1.7
273.12418	3.3
273.14966	5.8
275.14716	2.5
275.17996	2.5
276.15338	1.6
277.12424	3.2
277.15881	9.3
279.13870	4.4
279.17471	4.7
281.15405	3.8
285.12762	2.7
285.16199	2.6
287.14343	4.0
289.15875	6.6
291.17294	5.7
293.15390	6.0
295.16861	4.9
298.13531	2.3
299.14328	3.4
301.15918	3.4
303.13678	3.2
303.17310	3.2
304.14630	2.1
305.15298	3.0
307.16888	6.9
309.18451	8.1
313.15915	2.7
315.13913	1.9
317.15268	4.3
319.16803	5.2
325.17761	2.0
329.15109	2.5
331.16940	5.3
333.18460	1.9
335.16443	4.9
337.18188	8.1
345.70822	1.7
347.16467	4.3
349.18051	5.2
351.19586	3.5
359.16489	4.6
361.17902	2.1
363.19757	2.2
365.17633	2.6
367.19077	2.9
369.20618	23.0
373.17966	7.7
375.19373	2.2
377.17505	8.8
379.18973	2.2
381.21066	2.1
389.17459	3.7
391.18903	9.9
395.18582	8.2
397.20248	2.3
401.17377	4.8
405.20685	2.5
407.18674	4.0
409.20053	14.1
417.80954	2.2
419.18463	14.9
423.21738	1.9
427.21094	4.6
433.19992	3.6
437.19431	10.9
439.21170	7.5
441.22824	2.6
451.21201	21.4
455.20633	5.2
459.23846	1.8
469.22214	34.6
487.23331	100.0
501.24860	37.2
519.25891	95.3
601.29462	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	619.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.9
53.03946	7.4
55.01878	9.6
55.05514	2.8
65.03926	2.1
67.05488	3.9
69.03410	5.0
69.07065	4.6
77.03909	3.5
77.28057	1.4
79.05503	9.3
81.03426	9.6
81.07035	6.8
83.04979	2.6
87.23042	1.3
91.05479	21.4
93.07040	6.0
95.01317	1.9
95.04969	17.5
95.08602	2.9
95.22927	1.4
97.06523	2.7
103.05460	4.0
105.03396	100.0
105.04517	5.1
105.07027	16.6
107.04949	4.1
107.08576	6.8
109.06513	3.2
109.10143	1.7
115.05460	9.2
117.06998	13.4
119.08577	22.8
121.06494	4.7
121.10143	3.7
123.08049	2.0
128.06227	6.7
129.07025	14.6
130.07716	1.7
131.04941	5.5
131.08571	14.9
133.06471	4.6
133.10146	15.1
135.08009	6.3
137.09584	3.1
141.06946	4.0
142.07799	6.2
143.08571	15.8
144.05666	1.5
145.06471	13.9
145.10110	12.3
147.08051	59.0
147.11668	3.6
149.09633	4.9
155.08548	7.7
156.09329	11.0
157.06454	2.3
157.10127	22.1
158.07295	1.7
159.08063	28.4
159.11691	5.9
161.09622	35.0
161.13245	1.5
163.07568	7.7
163.11226	3.0
165.06999	2.9
167.08554	3.6
167.10747	1.5
168.09244	1.8
169.10098	9.9
170.10944	7.4
171.08038	10.8
171.11682	35.4
172.08919	1.6
173.06021	5.1
173.09619	16.6
173.13272	2.4
175.07529	4.5
175.11160	2.6
179.08568	4.0
179.10670	4.6
181.10069	5.5
183.08049	2.9
183.11681	16.2
184.08810	3.7
185.09610	14.8
185.13255	32.6
187.07552	4.9
187.11169	9.2
189.09068	1.8
191.10663	2.5
193.10115	3.6
194.10844	3.1
195.08191	1.9
195.11713	8.1
197.09587	5.6
197.13213	6.3
198.10381	3.6
199.11194	19.3
200.11952	2.3
201.09117	3.6
201.12692	2.3
204.09308	1.7
205.12169	2.6
206.10823	2.1
207.11696	5.6
209.09605	3.4
209.13240	4.3
211.11162	5.3
213.09184	2.1
213.12744	39.6
215.10701	4.8
215.14307	2.1
217.12242	4.9
218.10867	1.6
219.11760	2.4
220.12566	2.5
221.09741	2.7
221.13222	3.0
222.10341	1.7
223.11118	5.7
223.14801	2.5
225.12727	3.5
227.10631	2.6
229.12198	4.1
229.60455	1.6
230.10800	2.1
231.09979	2.2
231.11908	3.1
231.13763	8.7
233.09525	2.5
233.11447	1.8
233.13403	2.8
234.10316	2.3
235.11156	4.3
237.12762	6.0
239.10692	3.0
241.12212	6.2
243.11618	2.8
243.13824	5.8
245.13396	2.1
245.15398	17.2
247.11180	3.7
249.12787	4.7
251.10632	3.3
251.14381	2.2
253.12268	1.8
254.11086	1.5
255.11597	1.9
255.13892	4.1
258.13977	1.9
259.11038	2.1
259.13174	14.1
261.12598	2.5
263.14072	3.2
263.16531	3.2
265.12280	2.0
269.13220	2.9
271.11069	2.2
271.14777	1.5
273.12677	2.6
273.14899	13.8
275.14279	5.4
277.12454	2.4
277.15735	2.3
279.13934	2.3
283.11292	2.3
283.14743	3.3
284.15564	1.6
285.12729	4.2
286.13614	2.2
287.14322	2.0
289.15836	3.7
291.13327	1.5
291.16013	12.4
292.80051	1.6
297.12698	6.2
298.13406	2.7
299.14163	5.0
299.17880	2.6
300.14670	1.9
301.15955	4.3
311.14166	3.1
312.15024	4.4
313.15848	4.3
315.13873	1.8
315.17328	7.2
317.15527	2.3
317.18964	6.1
323.16345	3.6
326.16553	4.6
327.14072	2.6
327.17465	13.0
328.18018	2.9
329.15454	3.0
329.18982	3.1
331.16830	2.1
331.20386	3.1
341.19058	8.7
343.17032	2.9
345.14841	2.0
345.18420	7.6
354.00876	1.8
357.18353	3.9
359.19977	8.6
369.18585	7.9
375.19623	3.6
377.21149	3.8
387.19632	17.4
389.20917	4.3
391.22693	5.1
401.21146	18.0
405.20554	11.7
407.21945	3.0
419.22220	29.2
437.23254	17.2
443.00525	1.5
447.21481	2.3
461.23703	2.6
465.22699	6.6
479.24374	7.0
497.25424	9.0
497.31573	1.6
587.26245	3.0
601.27826	4.9
619.28003	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	619.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.9
53.03953	8.6
55.01882	15.4
55.05511	2.5
59.78966	1.6
60.24819	1.4
64.96159	1.8
67.05499	4.7
69.03424	4.9
69.07066	5.3
69.20182	4.7
69.20585	12.3
77.03926	3.3
79.05473	5.1
81.03419	6.4
81.07071	4.3
83.04993	3.8
83.08681	2.6
85.06562	1.9
91.05486	20.0
93.07036	7.8
95.04988	13.6
95.08598	5.7
95.09218	1.7
97.06534	3.1
103.05489	3.5
105.03400	100.0
105.04527	4.0
105.07030	18.4
107.04955	4.9
107.08603	7.0
109.06556	4.7
109.10151	2.8
113.06041	2.6
115.05455	9.1
117.07022	14.7
119.08593	24.8
121.06521	3.6
121.10117	3.5
128.06267	8.7
129.07016	16.6
131.04913	4.1
131.08556	13.2
131.64932	1.8
133.06480	3.4
133.10149	15.0
135.08054	4.2
135.11757	2.1
141.07004	3.5
142.07779	7.4
143.08620	14.0
144.05711	2.4
145.06502	17.5
145.10139	13.5
146.07288	1.8
147.08058	61.9
149.09633	5.0
154.07756	3.1
155.08607	6.7
156.09402	11.0
157.10124	23.3
158.07262	3.0
159.08064	28.9
159.11720	5.3
161.09630	36.9
163.07568	6.4
163.11156	2.1
165.07062	3.8
165.09209	1.8
166.07784	1.9
167.08565	4.3
169.10127	10.2
170.10942	8.4
171.08086	9.6
171.11707	29.4
173.05977	5.3
173.09641	16.7
173.13289	4.7
175.07579	7.5
175.11234	4.1
179.08528	2.1
179.10707	5.4
180.09373	2.6
181.10139	4.8
182.11028	1.9
183.08069	4.5
183.11707	14.9
184.08896	2.9
185.09665	12.7
185.13263	31.5
187.07491	3.5
187.11179	9.3
189.09102	3.3
189.12680	3.3
191.10706	3.4
193.10165	4.9
195.11652	9.1
197.09633	6.9
197.13260	6.7
198.10408	3.6
199.11206	19.9
200.11856	1.7
201.09161	2.0
201.12766	6.0
203.08641	2.3
203.14412	2.6
204.09418	2.1
205.10213	2.2
206.10915	1.9
207.11748	4.5
209.09633	5.1
209.13335	2.7
211.11224	7.5
213.09351	2.4
213.12747	37.6
215.10730	3.9
217.10184	2.6
217.12180	3.7
221.09625	3.0
221.13239	3.2
223.11171	4.7
223.14850	2.8
225.12613	3.2
227.10667	2.2
229.10178	3.1
229.12254	5.1
231.11871	3.4
231.13673	8.1
232.12451	2.0
233.13306	2.9
234.13953	2.4
235.11133	3.0
235.14876	2.2
237.12798	3.4
237.16635	1.7
241.12248	7.8
243.11700	2.8
243.13876	6.5
243.52675	2.0
244.12590	2.3
245.15359	22.2
247.11084	2.5
248.11888	3.1
249.12767	3.5
251.10718	2.0
253.12358	2.3
255.13930	3.3
257.13287	3.1
258.14267	2.0
259.11008	3.9
259.13342	14.2
261.12631	3.0
263.14069	2.4
263.16608	2.9
269.13449	3.7
271.11182	2.2
271.14844	3.4
273.09793	1.6
273.12244	2.9
273.14911	14.5
275.14233	4.4
277.12149	2.2
277.16150	1.9
279.10440	2.0
283.14975	2.5
285.12964	2.4
286.13626	2.2
287.14389	5.4
289.12048	2.3
289.15738	2.8
291.15976	14.9
297.12698	4.3
299.14203	3.9
301.15842	3.5
303.13995	3.0
303.17368	2.7
311.14362	6.5
312.15189	4.3
313.15775	3.8
315.17349	5.2
317.15421	3.6
317.19009	5.1
323.16678	5.1
325.12311	2.6
326.16656	4.0
327.17477	15.1
329.15588	4.0
329.18973	3.1
331.20663	4.0
341.19083	10.6
343.16779	2.1
345.18298	8.2
357.18622	4.3
359.20105	10.3
369.18515	6.6
375.19562	2.2
377.21246	2.7
387.19577	20.1
389.21127	3.8
391.22638	8.0
401.21078	18.6
405.20731	13.0
407.22263	3.5
419.22168	29.5
437.23187	18.5
447.21649	1.9
461.23337	2.6
465.22763	10.0
479.24426	9.4
497.25043	8.2
541.25342	2.2
587.26038	3.1
601.27930	4.9
619.28796	5.9
619.38257	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.9
55.01875	1.4
55.05509	2.6
57.42848	1.0
58.42423	0.9
67.05513	2.6
69.03429	3.3
69.07078	1.3
70.06676	0.9
75.10066	0.8
75.62494	1.0
79.05489	6.0
81.03416	2.1
81.07058	3.4
82.37931	1.0
83.04988	2.3
91.05497	14.3
93.07034	4.9
95.04987	5.8
95.08621	2.7
97.02889	1.0
98.21512	2.3
103.05476	50.4
105.03429	3.2
105.04513	1.3
105.07043	13.2
107.04972	1.9
107.08585	5.4
109.06531	1.6
109.10138	1.1
115.05451	5.1
117.07030	10.4
119.08595	16.4
119.09442	1.2
121.06551	1.9
121.10190	2.7
123.08080	1.0
123.11724	1.0
128.06218	3.8
129.07033	5.5
130.07837	1.8
131.04936	100.0
131.08572	9.7
133.06485	5.5
133.10133	13.8
135.08066	4.2
137.05963	1.2
141.06985	2.1
142.07790	4.8
143.08569	11.2
145.06445	4.9
145.10144	10.0
146.28604	1.0
147.08034	6.2
147.11707	2.2
149.06082	2.0
149.09673	4.5
151.07521	1.3
153.07007	1.8
155.08528	5.5
156.09364	7.8
157.06537	1.6
157.10139	15.9
158.07230	1.2
158.10904	1.1
159.08060	5.9
159.11722	10.0
161.05978	6.1
161.09595	6.0
163.07547	12.9
163.11185	2.3
165.06999	3.2
165.09154	2.2
166.07784	1.2
167.08575	2.8
168.09384	1.1
169.10117	11.2
170.10904	7.8
171.08093	3.8
171.11685	25.8
172.08823	2.5
173.06012	1.4
173.09584	6.3
173.13217	4.8
175.07556	6.1
175.11269	2.2
177.09120	7.9
179.07150	1.3
179.08640	2.2
179.10640	1.8
180.09360	1.4
181.10120	4.1
182.10951	1.7
183.08139	2.0
183.11708	15.4
185.09688	7.1
185.13277	18.5
186.10405	1.4
187.07503	2.0
187.11180	8.0
189.05515	4.9
189.09120	4.1
189.12767	1.6
191.07027	2.9
191.10709	1.9
192.09383	1.1
193.08545	1.0
193.10176	3.3
194.11034	1.0
195.08078	1.7
195.11731	5.0
197.09595	5.2
197.13280	3.8
198.10405	1.7
199.11183	9.6
200.11990	1.4
201.09138	5.6
201.12746	9.7
203.08778	1.0
203.10753	1.7
203.14380	1.5
205.08507	1.3
205.10265	1.7
206.10905	2.6
207.11760	4.7
208.12332	1.5
209.09769	1.8
209.13266	3.9
211.11174	4.6
213.09290	2.3
213.12749	23.6
215.08768	1.7
215.10561	5.2
215.14330	2.6
217.08492	1.7
217.10390	1.4
217.12291	2.6
218.10907	1.6
219.11725	3.7
219.13631	1.1
220.12439	2.1
221.13290	3.5
222.14095	1.1
223.11253	2.0
223.14857	1.5
225.09102	2.3
225.12717	1.8
227.10664	3.9
229.10365	1.1
229.12306	3.3
230.10986	1.2
231.10039	1.9
231.11862	1.7
231.13553	5.5
232.12416	1.9
233.13251	3.1
233.15477	2.8
235.14862	2.7
237.12779	1.8
239.10692	1.7
241.12227	4.9
242.10905	1.1
243.09909	1.9
243.11963	1.7
243.13927	3.3
244.12558	2.6
245.13252	3.4
245.15402	8.2
247.11240	1.8
247.14880	2.7
249.12773	1.5
251.10706	1.5
251.14436	1.2
255.14027	2.3
257.13324	1.8
258.14090	2.0
259.13309	3.8
260.15628	1.6
261.14850	1.2
263.16476	2.7
265.12250	2.0
265.15985	1.1
267.11502	1.8
267.14029	1.2
268.12488	1.9
269.13275	2.5
270.14029	1.8
271.10919	1.2
271.14783	2.9
272.15701	1.2
273.14761	8.6
275.12814	2.4
279.13934	2.1
282.14215	1.7
283.14978	2.0
284.15607	1.9
285.12967	1.0
285.16318	2.4
287.10321	1.1
287.14294	1.2
287.17651	1.6
289.15744	1.0
291.16193	4.6
293.15244	2.3
297.16248	1.7
299.14536	2.3
300.14874	1.1
301.19556	1.3
303.13934	2.2
303.17111	1.4
305.15445	2.8
307.16885	1.5
313.12421	1.7
313.15881	1.7
315.13766	2.3
317.15405	2.5
319.13623	1.0
319.16977	2.2
321.14948	1.9
321.18478	2.3
327.13950	1.1
328.14474	2.2
329.15414	2.3
329.18881	1.3
331.16968	6.8
332.17422	1.2
333.18570	7.7
342.16367	1.2
343.17017	10.6
345.18683	5.8
347.20102	6.4
349.18134	2.1
351.19476	1.5
357.18552	9.7
359.16187	1.9
361.17932	8.2
363.19592	2.6
373.17960	4.6
375.19559	14.6
379.18893	1.6
385.17886	8.4
391.18887	4.9
393.20642	3.2
403.19003	15.9
405.20752	4.6
407.22089	5.0
417.20703	7.0
421.20197	11.9
423.21741	1.8
425.23044	1.2
435.16412	1.1
435.21759	14.0
439.21170	3.1
453.22897	15.0
471.23950	1.4
587.26227	3.1
619.28943	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.0
55.01878	11.4
55.05502	10.7
67.05489	8.9
69.03426	5.0
69.07054	7.1
69.23947	21.4
79.05495	11.7
81.03403	6.8
81.07059	9.9
83.04977	12.1
91.05478	22.9
93.07037	8.4
95.04967	18.3
95.08614	8.3
97.06557	2.7
98.20809	5.3
103.05431	14.5
105.03394	100.0
105.04488	5.7
105.07021	19.9
107.04948	5.2
107.08600	7.4
109.06524	5.4
109.10120	3.9
115.05446	9.1
117.07002	13.7
119.04931	4.7
119.08592	23.3
121.06518	3.5
121.10160	3.5
128.06230	3.3
129.06963	13.3
130.07648	2.6
131.04941	21.9
131.08575	19.1
133.06448	4.1
133.10138	16.9
135.08037	6.4
141.06949	5.0
142.07774	6.3
143.08589	17.3
145.06453	12.8
145.10156	13.4
147.04434	3.5
147.08051	47.5
149.09602	5.7
153.06979	3.1
155.08511	6.6
156.09357	8.4
157.06517	2.9
157.10159	22.0
158.07257	2.6
159.08066	23.8
159.11737	6.0
161.05984	4.5
161.09654	24.2
163.07552	8.0
163.11153	3.9
165.06931	3.6
167.08554	4.9
169.10118	8.9
170.10867	7.5
171.08044	11.6
171.11700	32.9
173.05981	4.2
173.09612	15.8
173.13266	3.8
174.09985	2.4
175.07541	4.2
175.11139	3.8
179.08549	4.0
181.10127	6.1
183.08183	4.5
183.11710	19.2
185.09634	12.2
185.13255	22.8
187.07611	4.3
187.11188	8.9
189.09055	4.0
191.10680	3.9
193.10173	3.4
195.11681	11.2
197.09659	4.2
197.13318	5.7
198.10344	4.3
199.11229	19.5
201.09108	4.5
201.12688	5.5
207.11714	6.4
209.09540	3.6
209.13239	3.5
211.11192	8.2
213.12753	40.1
215.08670	3.2
215.10667	4.7
217.12218	4.6
219.11752	2.7
220.12300	3.3
221.13232	5.0
223.11151	5.4
225.09076	2.7
227.10629	3.5
231.11772	3.3
231.13759	5.8
232.12505	2.8
234.13824	2.4
235.14819	3.0
237.12817	6.5
239.10632	3.5
241.12239	5.5
245.15457	17.5
249.12659	2.5
249.16435	2.3
255.13750	6.5
257.13354	3.4
259.13028	11.2
263.14166	4.8
265.15820	3.1
269.13303	3.2
270.14044	3.3
273.12314	3.2
273.14954	13.4
275.14038	2.6
277.15860	2.9
283.11008	3.3
289.15836	2.5
291.15970	8.6
297.12744	4.9
299.14380	4.8
301.15918	4.0
312.14948	3.0
315.17377	5.4
317.15247	6.2
317.18884	4.7
323.16632	3.9
327.17349	10.0
333.18500	2.4
341.19012	6.6
345.18481	5.3
357.18225	5.0
359.20084	6.5
369.18073	3.0
377.21271	3.4
387.19659	11.5
389.20816	4.2
391.22684	5.6
401.21014	10.6
405.20493	8.5
419.22226	24.3
437.23703	11.3
453.22717	3.7
465.22650	9.5
479.23987	4.4
479.44391	2.6
497.25034	6.6
533.03064	2.5
587.25250	3.0
601.27594	5.4
619.27759	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.2
53.03949	8.1
55.01655	2.3
55.01876	24.1
56.19489	1.7
67.05520	4.7
69.03420	5.2
69.07075	3.5
73.27110	2.2
73.90438	1.9
79.05495	10.0
81.03427	12.1
81.07037	5.1
83.04981	3.7
87.86963	1.8
91.05481	41.7
93.07053	12.5
95.04955	14.8
95.08601	3.7
103.05495	4.8
105.03397	44.0
105.04492	4.9
105.07020	22.6
107.04969	8.2
107.08611	11.9
109.06519	5.4
115.05476	15.5
116.06190	2.4
117.07010	26.7
119.04983	2.3
119.08583	36.6
121.06467	4.1
121.10156	5.7
128.06229	11.7
129.07018	26.8
131.04893	6.4
131.08575	27.1
132.05736	2.7
133.06544	4.4
133.10132	27.4
135.08061	9.3
141.06979	4.3
142.07747	10.2
143.08557	21.0
144.05647	3.9
144.09360	2.8
145.06471	21.7
145.10132	18.7
147.08049	100.0
147.11684	3.4
149.09596	12.2
153.06958	2.7
155.08536	12.3
156.09373	18.9
157.06532	2.9
157.10132	41.4
158.07323	6.0
159.08057	37.5
159.11702	36.0
161.05971	3.7
161.09634	28.4
161.13261	2.7
163.07544	63.6
163.11128	4.8
165.07005	4.6
167.08580	3.7
168.09349	3.2
169.10136	17.5
170.10933	12.3
171.08052	10.2
171.11697	63.9
171.13159	4.4
171.98589	2.1
172.08830	3.4
173.05986	8.5
173.09630	24.9
173.13297	11.2
175.07562	21.7
175.11201	5.5
177.09227	2.6
179.08508	3.5
180.09268	2.6
181.10088	6.2
183.08101	4.0
183.11696	43.3
185.09689	14.8
185.13266	54.8
187.07620	2.9
187.11153	11.9
189.09126	3.8
189.12675	3.0
191.10658	2.5
193.10083	3.4
195.08006	2.9
195.11676	12.1
197.09592	8.3
197.13208	12.1
198.10411	3.9
199.07562	2.7
199.11179	17.8
201.09113	12.0
201.12737	7.3
203.08855	2.1
203.10719	4.0
203.14389	3.9
205.12170	4.3
206.10855	3.6
207.11748	4.1
209.09705	4.2
209.13286	3.6
210.10258	2.6
211.11162	10.1
213.09084	2.9
213.12767	34.6
215.10735	5.4
217.10216	3.8
217.12318	3.7
219.11816	3.2
221.13229	4.9
223.11179	6.6
225.12701	4.2
227.10716	3.9
229.12260	7.5
231.10028	2.7
231.13826	10.1
233.09535	3.8
233.15366	9.2
235.11140	4.3
237.12733	3.6
239.10619	2.8
241.12234	17.5
243.11629	4.4
243.13866	7.9
243.41785	2.2
244.12416	3.4
245.13156	3.0
245.15387	34.1
247.11201	2.9
247.16963	2.3
249.12801	3.4
251.14534	2.5
255.13786	12.7
257.15463	3.4
258.14114	2.3
259.13184	14.6
261.12561	3.1
263.16406	10.7
267.11487	2.4
269.75095	2.3
270.13809	3.0
271.14981	2.6
272.11993	3.3
273.12460	2.4
273.14871	21.5
275.14249	2.7
283.11374	3.0
283.95679	2.2
285.12753	3.3
287.14581	2.7
291.15842	4.4
297.12561	3.2
299.14310	3.2
300.14993	3.0
301.15851	4.0
303.17526	2.5
311.14072	2.7
312.15063	4.0
313.15784	3.6
315.17404	8.2
317.18985	5.7
327.17429	14.1
329.18997	3.5
331.20490	3.4
333.18552	5.8
341.18982	8.6
345.18500	9.4
347.19879	2.7
357.18600	7.0
359.20071	9.1
369.18558	6.9
375.19382	5.1
377.20932	3.0
387.19510	16.8
389.21210	5.7
391.22662	7.5
401.21030	18.0
405.20584	5.0
407.22079	6.8
409.24164	2.4
419.22076	32.0
437.23291	9.5
465.22955	3.4
479.24384	6.1
587.26337	15.6
601.28186	4.4
619.28546	10.9
619.37610	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	619.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.2
53.03944	1.9
55.01870	2.4
55.05520	1.1
55.93581	0.8
61.72028	0.7
67.05498	1.9
69.03428	1.1
69.07061	1.8
79.05490	3.2
81.03416	1.5
81.07050	2.7
83.01338	1.5
83.04986	2.3
91.05482	8.2
93.07044	4.3
94.36964	0.7
95.04974	5.7
95.08607	2.7
98.21521	1.8
103.05473	47.4
105.03370	1.1
105.07041	14.7
107.04945	1.9
107.08597	4.3
109.06493	2.1
109.10158	1.2
113.05924	0.7
115.05482	1.7
117.07034	4.9
119.08575	9.0
121.02835	0.8
121.06487	2.0
121.10163	2.8
123.04404	1.4
123.08047	0.9
128.06233	2.4
129.07019	4.2
131.04936	100.0
131.08571	5.8
132.05237	1.2
133.06497	4.8
133.10139	10.3
135.08060	4.6
141.07011	2.5
142.07774	2.8
143.08569	8.4
144.09265	1.4
145.06502	3.2
145.10133	5.2
147.08070	4.3
147.11784	1.9
149.09615	4.8
151.07562	1.2
154.07732	1.0
155.08603	4.3
156.09346	5.0
157.06526	1.2
157.10147	14.6
158.07240	1.4
158.10817	1.0
159.08084	5.2
159.11705	7.9
161.05989	8.5
161.09648	7.0
161.13214	1.4
163.07564	11.2
163.11218	2.5
165.06932	1.8
165.09108	1.1
166.07724	1.0
167.08572	2.7
168.09338	2.0
169.10158	5.9
170.10899	5.2
171.08076	3.4
171.11705	20.0
172.08832	1.4
173.09622	7.7
173.13280	2.3
175.07573	3.9
175.11223	2.3
177.09068	6.1
179.07051	1.1
179.08589	1.1
179.10567	1.2
180.09366	1.6
181.10110	3.0
182.10939	1.4
183.08119	1.7
183.11713	18.8
184.08836	1.1
184.12344	1.0
185.09750	4.1
185.13289	17.3
187.07532	2.0
187.11220	6.6
189.05504	5.1
189.09108	6.5
189.12697	1.9
191.08856	0.9
191.10710	2.2
192.09373	1.1
193.10202	1.8
194.10837	1.1
195.11716	5.7
197.09641	2.3
197.13231	4.9
198.10326	2.4
199.07718	1.0
199.11206	9.3
200.11978	1.5
201.09148	2.2
201.12735	6.0
203.10704	2.0
203.14278	1.3
205.08510	1.1
205.12230	1.3
206.10886	1.9
207.11665	2.7
208.12582	1.0
209.13263	1.8
211.11205	3.1
213.09155	1.8
213.12761	26.0
215.07063	1.4
215.10669	3.0
215.14276	1.6
217.08481	1.9
217.10405	1.3
217.12259	2.6
219.11801	1.4
221.13295	3.8
223.11259	2.6
223.14777	1.7
225.09123	1.7
225.12663	1.8
227.10660	2.4
229.10260	1.1
229.12279	2.4
230.10934	1.5
231.10118	2.6
231.11929	1.0
231.13751	7.0
233.13422	1.2
233.15407	1.5
235.11150	1.6
235.14796	2.4
237.12814	2.0
237.16341	1.0
241.12277	6.6
242.13068	1.0
243.13905	3.1
244.12521	1.2
245.13295	1.5
245.15353	5.4
246.14011	1.4
247.13080	1.6
247.15152	1.2
249.16510	0.9
251.14395	1.3
255.13879	2.0
257.13248	1.0
258.14111	1.0
259.12949	4.2
263.14297	1.4
265.15848	1.0
271.14963	1.5
272.15622	1.0
273.14792	14.4
274.16782	0.8
275.12845	3.6
277.15997	1.4
281.15601	1.0
285.16296	1.4
287.14444	0.9
289.15759	1.6
291.15842	6.8
296.15726	1.5
299.14349	1.0
300.15012	1.4
301.16095	1.0
303.13840	0.9
303.17285	1.1
305.18768	1.1
315.13980	1.3
315.17426	1.7
317.15363	1.5
319.16852	1.7
321.18216	1.6
323.20013	1.1
327.13611	1.0
331.16867	4.1
333.18457	3.4
343.16901	3.6
345.18652	2.2
347.20114	2.3
357.18430	7.2
361.17981	4.5
363.19672	1.3
373.17950	3.1
375.19595	7.4
385.17981	3.3
391.19034	1.8
393.20636	3.6
403.19028	8.1
405.20648	2.0
407.22086	2.9
417.20856	4.6
421.20178	6.6
423.22000	1.4
435.21774	10.9
439.21039	2.4
453.22855	11.7
471.23730	3.7
601.27930	1.2
619.28979	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	619.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08368	0.7
53.03942	2.7
55.01863	2.5
55.05502	2.5
56.29617	0.7
60.68548	0.6
62.47526	0.6
65.03933	0.8
67.05499	2.9
69.03429	2.0
69.07061	2.3
69.20519	1.5
69.20922	6.3
75.33725	0.7
77.03925	1.1
79.05498	4.6
81.03417	1.9
81.07056	2.8
83.01331	0.7
83.04977	3.1
91.05474	8.5
93.07047	4.8
95.04973	5.0
95.08606	2.4
97.06533	0.9
98.21501	1.4
103.05470	46.0
105.04524	1.0
105.07035	14.4
107.04974	1.4
107.08602	5.1
109.06511	2.3
109.10175	0.9
115.05437	2.4
117.07042	5.5
119.08587	8.4
121.06557	1.7
121.10146	2.9
123.04437	1.6
128.06218	2.6
129.07002	3.2
130.07814	0.8
131.04933	100.0
131.08565	6.1
133.06488	5.7
133.10127	12.2
135.08072	4.9
141.06984	2.0
142.07793	2.9
143.08554	7.7
145.06517	4.3
145.10117	6.3
147.08057	4.2
147.11664	1.3
149.09628	4.2
153.07027	1.0
155.08554	4.6
156.09383	5.1
157.06482	0.7
157.10141	13.2
158.07329	0.9
158.10838	0.8
159.08089	4.9
159.11684	7.8
161.05986	10.5
161.09563	5.3
163.07562	10.8
163.11226	2.6
165.07018	2.1
166.07802	1.1
167.08585	1.2
167.10722	1.0
168.09326	1.7
169.10135	8.2
170.10925	5.7
171.08018	4.0
171.11708	21.4
172.08887	1.3
172.12456	1.2
173.05922	1.1
173.09633	6.4
173.13255	3.2
175.07521	3.8
175.11215	1.6
177.09111	4.2
179.07060	1.9
179.08568	1.6
179.10623	1.2
180.09352	1.4
181.10072	1.6
182.07492	0.8
182.10884	1.4
183.08052	2.0
183.11688	19.7
184.12457	1.5
185.09697	3.6
185.13258	16.2
186.10388	1.4
187.07559	1.7
187.11168	8.0
187.14914	0.8
189.05504	4.7
189.09152	4.3
189.12724	1.7
191.10712	1.2
192.09341	1.3
193.10141	2.6
193.12163	0.7
194.10942	1.0
195.08153	0.9
195.11783	4.2
197.09630	2.3
197.13261	3.9
198.10406	1.7
199.11191	9.1
200.11937	1.6
201.09158	2.5
201.12743	6.2
203.10669	2.7
203.14354	0.9
204.09602	0.7
205.12227	1.2
206.10924	1.9
207.11723	4.3
209.09613	1.2
209.13260	2.2
210.14268	0.8
211.11116	3.4
213.09183	2.2
213.12750	26.5
215.07071	1.1
215.10703	2.8
215.14256	1.6
217.08553	1.6
217.12282	2.0
218.10982	0.9
219.09978	1.4
219.11789	1.7
219.13840	1.6
220.12434	1.5
221.13306	3.3
222.13902	1.0
223.11177	2.3
223.14774	1.4
225.09178	0.9
225.12721	1.9
227.10696	2.8
229.10280	0.9
229.12267	1.7
230.10992	1.0
231.10135	2.4
231.13748	5.6
232.12476	1.1
233.13249	2.0
233.15349	1.4
234.14023	1.0
235.11205	1.0
235.14883	2.1
237.12675	1.3
241.12238	6.8
243.09953	1.1
243.11873	1.0
243.13876	2.7
244.12469	2.5
245.11464	1.0
245.13371	1.4
245.15337	5.6
246.14023	1.4
247.14914	2.3
248.15604	1.0
249.12773	0.8
249.16394	2.0
251.14188	0.9
255.10141	0.7
255.13922	1.7
257.13278	2.2
258.14117	0.8
259.13022	3.9
261.16669	1.0
263.14172	0.8
263.16489	1.5
265.12183	1.3
269.13242	0.9
271.14752	1.4
273.14801	12.3
275.12927	2.1
277.15878	0.9
279.13934	1.8
285.16159	1.3
287.17838	0.8
289.15924	1.1
291.15952	7.8
293.15225	1.3
299.14438	1.1
301.16016	1.1
301.19330	0.8
303.17313	0.9
305.15598	1.0
307.16953	1.2
309.17365	1.0
314.16586	1.0
315.13870	1.0
315.17343	2.1
317.15439	1.8
319.16776	1.3
321.18564	1.7
325.16046	0.7
328.14529	0.8
329.18997	1.0
331.16879	3.1
333.18481	3.6
342.16138	1.6
343.16968	5.6
345.14871	1.0
345.18607	2.9
347.20154	3.1
349.17941	1.4
351.19531	1.4
357.18604	6.4
361.18112	4.8
369.20380	1.1
373.18066	1.7
375.19641	8.0
377.17276	1.2
379.18973	1.3
385.17914	2.6
391.19144	1.5
393.20761	3.3
394.18097	0.8
403.19070	9.0
405.20477	2.1
407.22226	2.1
417.20505	5.7
421.20090	6.7
423.21576	1.6
425.23062	0.8
427.21240	0.8
435.21677	10.6
439.21234	3.7
443.91537	0.8
453.22702	9.8
471.23947	2.6
536.43823	0.7
553.09875	0.8
587.26453	1.6
601.28259	2.8
619.29193	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	619.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.4
53.03959	7.2
53.11285	1.3
55.01875	13.1
55.05500	1.5
65.03922	1.7
67.05508	5.2
69.03431	4.9
69.07082	4.2
77.03934	2.7
78.34825	1.1
79.05508	6.3
81.03431	7.7
81.07050	4.9
83.05000	1.5
85.06539	1.3
91.04966	2.2
91.05488	22.4
93.07047	6.7
95.04988	14.8
95.08589	3.9
97.06546	3.1
98.21492	3.1
103.05461	4.6
105.03402	100.0
105.04536	3.9
105.07036	17.6
107.04969	3.7
107.08604	5.6
109.06522	4.2
109.10221	1.7
111.29195	1.3
115.05487	8.2
115.20728	1.1
116.06255	2.6
117.07018	15.8
119.08597	22.9
121.06521	4.3
121.10143	2.3
123.08083	1.9
128.06245	9.5
129.07022	18.9
130.07780	2.1
131.04913	3.3
131.08583	17.5
133.06500	2.6
133.10147	16.1
135.08043	4.4
137.09631	1.9
137.42351	1.1
141.07005	5.2
142.07811	8.3
143.08575	17.8
144.05737	1.8
145.06488	13.6
145.10136	13.5
146.07271	1.8
147.08060	58.3
147.11739	2.1
148.08365	1.6
149.09604	5.1
153.06969	1.8
155.08572	6.0
156.09370	11.3
157.06502	2.0
157.10144	25.4
158.07295	2.6
159.08078	30.2
159.11676	7.9
161.06026	1.9
161.09642	35.8
163.07607	7.4
163.11238	3.3
165.06990	4.2
165.09158	1.8
166.07828	3.0
167.07106	2.0
167.08511	2.7
167.10666	1.6
168.09296	1.3
169.06497	1.7
169.10146	12.0
170.10944	8.1
171.08054	10.8
171.11703	35.6
172.08875	2.0
173.06018	5.9
173.09634	16.7
173.13275	3.1
175.07542	5.8
175.11186	1.7
177.09181	1.2
179.08600	1.4
179.10704	3.7
180.09320	1.7
181.06549	1.7
181.08720	1.3
181.10115	6.1
183.08076	3.3
183.11700	15.9
184.08812	2.6
185.09697	11.9
185.13274	35.8
187.07661	3.4
187.11154	7.3
189.09146	2.7
189.12869	1.6
191.08572	1.8
191.10677	1.7
193.10089	3.5
194.10841	1.4
195.08092	2.0
195.11708	8.4
197.09685	6.1
197.13263	5.3
198.10378	3.8
199.11211	22.8
200.11932	2.5
201.09122	1.6
201.12756	4.0
203.14423	1.6
204.09328	1.5
205.10175	2.8
205.12227	1.9
206.10918	2.0
207.11702	4.3
208.12389	1.7
209.09624	4.9
209.13268	1.7
210.10345	1.9
211.11139	5.7
213.09277	2.9
213.12758	40.5
215.10730	3.2
215.14201	1.5
217.10298	2.0
217.12280	4.8
218.10901	2.1
219.11795	1.5
220.12360	2.7
221.09592	1.7
221.13315	3.6
222.10371	1.3
223.11154	6.1
223.14775	1.7
225.12766	2.3
227.10687	2.6
229.10269	1.9
229.12294	5.6
230.10928	2.3
231.09996	2.9
231.13681	8.2
232.12413	2.0
233.09602	2.6
233.11496	2.5
233.13306	3.9
234.13867	1.8
235.11133	2.6
235.14908	2.1
237.12770	6.3
239.10757	2.6
239.14325	1.6
241.10130	2.1
241.12279	7.4
243.11644	2.5
243.13841	4.5
244.12558	2.1
245.09625	2.8
245.13300	1.5
245.15398	21.3
246.10442	1.8
247.11115	2.6
249.12839	5.7
251.10774	1.3
251.14299	3.4
255.11488	2.5
255.13843	4.9
257.13354	2.4
258.14038	1.7
259.11020	2.9
259.13193	14.0
260.11917	2.3
261.12637	5.8
262.13376	1.9
263.14267	3.3
263.16653	2.6
265.12265	1.4
267.13919	2.3
268.12448	1.7
269.09607	1.3
269.13242	3.5
270.13965	2.3
271.11200	3.0
271.14981	1.9
272.11966	1.3
273.12692	2.1
273.14917	14.8
275.14212	4.4
277.12115	2.1
279.13705	1.6
281.15552	1.6
283.11218	1.8
283.14737	3.4
284.12076	3.2
285.12909	3.1
286.13486	3.0
287.14352	4.0
287.17670	1.3
288.15033	1.5
289.12262	2.0
289.15741	3.4
291.15991	14.9
293.15460	1.7
296.12079	1.7
297.12781	8.0
298.13440	1.5
299.11096	1.6
299.14310	6.4
299.17688	2.3
300.15359	2.0
301.15717	6.8
302.16663	1.6
303.13956	2.1
303.17429	2.3
311.14148	3.0
312.15009	5.2
313.12277	1.5
313.15820	4.2
314.13110	1.6
314.16602	1.4
315.17413	6.7
316.14789	1.5
317.15335	3.6
317.18942	5.1
323.16510	4.2
325.12061	1.7
326.16534	2.7
327.13885	1.7
327.17450	14.5
328.14752	1.5
328.18259	2.8
329.15250	2.8
329.18973	3.3
339.13708	2.1
341.19043	11.0
343.16934	2.0
345.14984	2.1
345.18619	8.9
347.16724	1.6
354.16107	1.5
357.18539	3.9
359.20169	8.0
361.17847	2.4
363.19614	1.7
369.18588	5.7
375.19305	2.2
377.21179	3.4
387.19550	20.0
389.21091	4.9
391.22589	4.2
401.21228	18.3
404.19687	1.3
405.20590	15.1
407.22223	1.3
409.23810	1.3
419.16797	2.1
419.22195	29.4
423.21542	2.2
437.23303	19.5
447.21786	2.7
461.23093	4.3
465.22662	8.3
479.24243	7.7
497.25357	7.3
523.24695	1.4
541.25372	1.5
577.22552	1.3
587.26373	2.7
601.28278	6.3
619.28754	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	619.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.4
55.01674	1.8
55.01879	21.4
55.05495	7.2
65.03948	3.3
65.49084	1.9
67.05499	8.7
69.03409	5.7
69.07057	4.9
77.03914	2.8
79.05493	16.0
81.03430	19.3
81.07035	10.1
83.04966	6.5
87.82684	2.1
91.04976	3.8
91.05490	46.7
93.03404	1.9
93.07047	18.0
95.01271	2.3
95.04974	21.8
95.08600	9.7
97.06526	3.2
103.05475	19.6
105.03406	56.8
105.04510	5.3
105.06402	2.8
105.07043	29.6
106.07333	3.0
107.04963	12.6
107.08602	12.9
109.06515	9.1
109.10177	3.4
115.05439	13.0
116.06330	2.2
117.07018	26.2
119.04987	2.4
119.07800	3.4
119.08590	45.6
120.08841	2.0
121.06505	8.2
121.10120	7.1
123.04402	3.0
128.06184	12.4
129.07022	25.9
130.07745	5.0
131.04929	29.1
131.08582	27.2
133.06493	11.1
133.10146	28.1
135.08043	12.8
137.05893	2.4
141.07013	8.7
142.07768	12.7
143.08569	28.6
144.09230	2.7
145.06494	23.3
145.09177	2.6
145.10155	26.5
147.08058	100.0
147.11736	4.2
148.08415	2.5
149.05997	2.2
149.09662	12.0
153.06995	3.8
154.07744	3.6
155.08586	13.5
156.09372	25.1
157.06502	4.0
157.10143	52.8
157.11462	2.8
158.07256	5.6
159.08058	42.5
159.11697	29.9
161.06024	11.3
161.09647	32.5
162.06361	3.3
163.07564	71.2
163.11180	6.8
165.06946	5.0
167.08540	4.7
168.09305	2.5
169.10150	18.5
170.10898	12.0
171.08119	12.9
171.11699	76.3
172.08838	3.0
173.06042	9.6
173.09663	32.1
173.13290	11.7
175.07568	24.7
175.11241	5.3
177.05441	2.8
178.07735	2.2
179.08615	5.1
179.10583	3.4
180.09271	3.7
181.10112	8.6
183.08128	4.8
183.11697	56.3
184.08765	2.3
184.12151	2.1
185.05984	2.5
185.09666	18.3
185.13277	55.8
187.07590	4.8
187.11211	11.9
187.14735	2.2
189.09125	5.1
189.12704	3.8
191.10767	2.8
193.10149	6.4
195.08093	2.9
195.11755	15.5
197.09666	12.0
197.13214	14.6
198.10268	7.1
199.07610	3.8
199.11186	23.9
200.12018	3.5
201.09094	8.7
201.12810	11.6
202.13205	2.3
203.08615	2.9
203.10576	4.2
203.14288	3.6
205.10246	2.9
205.12213	5.9
207.11690	7.8
209.09625	5.2
209.13271	6.8
211.11182	13.8
213.09169	4.0
213.12732	40.6
215.10654	5.8
215.14328	3.2
216.11497	2.1
217.12280	8.8
219.11691	6.3
221.09760	2.8
221.13232	9.0
223.11180	10.9
223.14705	3.2
224.11885	2.5
225.09096	4.7
225.12706	5.8
227.10690	8.5
229.12141	7.1
230.10838	3.4
230.44144	2.0
231.11790	3.9
231.13681	10.9
232.12502	2.8
233.13266	6.2
233.15384	11.9
235.11171	3.2
235.14932	4.9
236.00671	2.0
237.12683	4.3
237.16283	3.4
239.10704	2.6
241.12286	14.9
243.13885	9.7
245.08034	6.5
245.13214	2.6
245.15398	36.5
246.08423	5.2
246.14096	2.2
247.08743	4.2
247.11131	4.0
247.14966	2.8
249.12753	4.5
249.16348	4.8
251.14133	5.3
255.13760	10.4
258.14236	2.5
259.12988	10.4
261.12683	3.3
263.16412	9.7
269.13223	4.7
270.14032	3.1
273.12515	2.5
273.14746	18.3
275.14206	4.9
277.15866	2.6
285.12708	4.0
286.13593	2.4
288.12875	3.4
291.15988	3.3
297.12711	3.8
298.13467	2.9
299.14163	5.0
300.15076	4.3
301.15646	2.9
303.17432	2.2
311.14194	3.4
312.15045	4.5
313.15768	5.3
315.17303	8.7
317.18954	7.1
327.13995	3.0
327.17255	12.7
328.18115	3.3
329.19086	5.4
331.20407	2.9
333.18488	3.6
341.18973	7.6
345.18423	10.3
357.18536	6.6
359.20114	11.0
369.18405	4.7
373.18134	2.3
375.19363	5.8
387.19528	15.5
389.15930	3.9
389.21100	7.1
390.16132	5.9
391.16550	8.9
391.22531	8.3
401.21176	18.4
405.20459	5.4
407.22156	7.6
409.24063	3.0
411.25140	3.8
419.22372	33.1
437.23471	4.7
479.23904	6.1
551.21490	3.1
569.23492	4.5
587.25854	16.0
601.27661	4.5
619.27240	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	619.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.3
55.01875	10.4
55.05515	3.8
64.63652	1.4
65.03935	2.0
67.05492	4.8
68.67408	1.4
69.03425	5.4
69.07056	2.3
75.64626	1.4
77.03947	3.1
79.05486	6.9
79.56140	1.5
81.03430	8.5
81.07053	5.2
83.05004	2.6
91.05479	19.3
93.07030	6.8
95.04987	12.9
95.08606	5.8
97.06500	2.7
100.68093	1.6
103.05474	5.0
105.03403	100.0
105.07048	15.3
107.04966	3.6
107.08580	6.0
109.06506	5.0
109.10175	2.7
115.05454	7.1
116.06228	1.7
117.07042	14.8
119.04917	1.6
119.08590	22.5
121.06526	3.2
121.10168	2.9
128.06238	3.4
129.07008	15.0
130.07771	2.4
131.04930	7.1
131.08578	14.2
133.06502	4.2
133.10129	13.5
135.08078	3.7
141.06987	4.7
142.07814	6.3
143.08575	15.0
145.06499	12.0
145.10139	12.6
147.06931	3.4
147.08058	50.2
147.11740	1.8
149.09654	2.9
155.08553	7.4
156.09357	9.6
157.06479	1.6
157.10139	21.3
157.67003	1.7
158.07283	2.1
159.08070	25.2
159.11714	7.0
161.06058	2.5
161.09636	33.9
163.07547	7.0
163.11191	4.4
165.07027	4.8
168.09384	1.9
169.06456	1.7
169.10127	9.8
170.10910	8.3
171.08112	9.8
171.11691	34.3
172.08916	2.2
172.77689	1.7
173.05971	4.4
173.09676	15.4
173.13301	2.4
175.07558	5.7
175.11211	4.8
179.08560	3.3
179.10663	5.4
181.10141	5.9
183.08046	5.9
183.11681	13.0
184.08865	3.9
185.09647	13.0
185.13275	31.7
187.07570	3.8
187.11162	4.9
189.09027	2.3
189.12755	2.2
191.10637	2.6
192.09256	1.7
193.10139	4.7
195.11716	6.6
197.09622	6.6
197.13266	5.2
198.10408	3.8
199.11223	20.2
200.11844	2.0
201.09081	4.3
201.12810	4.7
203.14372	2.0
205.10156	1.9
205.12219	4.1
206.10983	2.4
206.48869	1.6
207.11693	4.4
209.09683	3.8
209.13264	2.7
211.11237	5.4
213.09187	2.4
213.12750	38.7
215.08656	2.3
215.10704	2.6
217.10202	2.1
217.12207	2.7
218.10930	2.3
220.12450	2.3
221.09558	2.1
221.13373	3.8
222.10526	1.9
223.11192	5.6
223.14833	3.1
225.12759	3.8
229.12248	2.9
231.10022	2.5
231.11887	2.7
231.13748	8.1
233.09575	2.5
233.13271	4.2
235.11197	2.2
235.14864	2.0
236.11952	1.8
237.12802	4.4
239.14253	2.0
241.12247	6.9
243.11653	3.5
243.13860	4.2
244.12384	3.6
245.13306	2.0
245.15401	16.9
246.14037	2.0
247.11145	2.5
248.11986	2.2
249.12743	3.7
251.10730	2.1
251.14354	4.3
253.12366	2.7
255.11511	2.3
255.13890	4.6
257.13351	2.2
258.14087	1.9
259.10959	2.8
259.13217	10.0
261.08984	1.8
261.12653	3.7
263.10513	1.6
263.14285	2.1
269.13248	2.1
271.11139	3.6
271.14841	2.0
272.12094	1.6
273.12390	3.0
273.14938	9.2
275.10965	1.7
275.14261	4.7
277.12128	2.3
282.10547	2.7
283.11353	1.6
283.14871	4.2
285.12766	3.8
286.13580	1.8
287.14340	4.7
288.15076	2.1
289.12299	2.1
289.15848	4.6
291.16135	10.8
296.15027	1.6
297.12769	5.2
299.14261	3.3
301.15793	4.8
303.13959	1.8
303.17294	1.8
305.15195	2.5
311.14417	3.9
312.15140	4.3
313.12277	2.3
313.15875	4.3
314.16718	2.0
315.17380	5.6
317.19016	4.9
323.16513	4.9
326.16711	2.8
327.14063	3.4
327.17413	11.2
329.15216	4.5
329.18890	3.6
331.17026	3.6
331.20709	3.0
333.18497	1.8
341.19025	8.8
343.17181	1.9
345.18707	8.7
351.16739	1.7
357.18625	6.7
359.20334	8.4
361.17993	2.7
369.18472	6.4
375.19525	3.5
377.21127	3.9
383.92856	1.7
387.19467	14.4
389.21136	2.9
391.22662	5.0
395.22061	2.0
401.21057	18.1
405.20560	13.8
407.22021	1.8
409.23859	1.8
419.22238	27.4
421.20325	3.1
435.21521	3.2
437.23129	14.1
453.22806	9.7
461.23309	3.7
465.22742	10.1
479.24127	5.1
497.25259	6.5
587.26440	4.7
601.27618	4.2
619.29224	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	619.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
54.43947	0.9
55.01862	2.1
55.05488	1.9
56.07446	0.8
67.05491	2.1
69.07051	1.5
69.28899	7.9
71.50095	0.9
77.03928	1.2
79.05500	4.1
81.03401	1.6
81.07045	3.4
83.04971	2.4
84.59016	0.8
85.40974	1.0
91.05481	8.3
93.07035	4.7
95.04966	3.6
95.08588	2.1
97.06519	1.5
103.05466	50.2
105.07040	14.0
107.04933	1.3
107.08583	4.3
109.06507	2.7
115.05459	3.3
117.07021	5.2
119.08572	9.7
121.06454	1.7
121.10146	2.0
123.04345	1.2
123.08035	1.0
128.06221	3.2
128.41484	0.9
129.06998	3.2
131.04922	100.0
131.08545	6.3
133.06476	5.5
133.10120	11.5
135.08047	4.2
141.07014	1.4
142.07735	3.2
143.08575	8.1
145.06467	3.1
145.10092	5.9
147.08041	4.0
147.11690	1.9
149.09584	2.4
153.38287	0.8
155.08549	4.0
156.09326	4.9
157.10109	12.2
159.08072	4.9
159.11673	7.9
161.05971	10.1
161.09636	5.2
161.13316	1.1
163.07539	8.5
163.11183	1.5
164.82262	0.9
165.06934	1.2
167.08522	1.3
168.09398	1.1
169.10144	6.7
170.10951	5.6
171.08127	4.9
171.11694	21.4
172.08788	1.6
172.12375	1.1
173.09654	6.5
173.13249	2.6
175.07550	2.8
175.11162	2.2
177.09091	4.5
179.07092	1.5
179.08525	2.0
179.10745	1.1
180.09286	1.3
181.10123	2.4
183.08061	1.1
183.11687	17.5
185.09602	3.6
185.13274	17.6
186.10368	1.3
187.11197	6.6
187.14780	1.2
189.05493	3.4
189.09097	4.1
189.12811	1.6
191.10593	1.6
193.10170	2.0
195.11710	5.8
196.12360	1.2
197.09578	2.2
197.13249	4.4
198.10484	1.9
199.07521	1.2
199.11166	7.2
201.09134	2.3
201.12775	5.2
203.10599	1.2
203.14349	1.2
205.10159	1.0
206.10904	1.5
207.11687	3.5
208.12424	1.2
209.09639	1.9
209.13171	2.5
211.11209	4.6
213.09184	2.0
213.12746	26.2
215.10687	3.0
215.14325	2.3
217.08545	1.5
217.12267	1.6
219.11742	2.2
220.12354	1.0
221.13252	2.4
223.11122	1.7
223.14839	1.1
225.12743	1.7
226.09888	0.9
227.10710	2.5
229.12215	1.8
230.10934	1.2
231.10085	1.9
231.13612	4.7
232.12497	1.1
233.13261	2.2
233.15312	1.4
234.13904	1.1
235.10817	1.0
235.14830	1.4
237.12570	1.2
239.14139	1.0
241.12247	5.6
243.13852	2.3
244.12424	1.0
245.13321	1.6
245.15327	4.7
246.14148	1.0
249.12773	1.7
249.16345	2.2
249.52670	0.9
255.13902	1.6
257.13208	2.1
258.14072	1.5
259.13290	3.5
263.16367	1.8
268.12656	0.9
270.13867	1.0
271.14828	1.9
273.14755	12.6
275.12820	2.6
279.13654	1.1
285.16159	1.2
287.14246	1.4
291.15872	6.8
301.15945	1.4
315.13580	1.2
315.17419	1.5
317.15189	1.4
319.16727	1.6
321.18521	1.3
331.16766	3.4
333.18414	2.8
343.16940	5.3
345.18478	2.6
347.20062	2.9
351.19562	1.2
357.18439	4.7
361.17996	4.8
373.18024	1.7
375.19540	6.8
385.17947	3.8
391.18939	1.5
393.20529	2.4
403.18997	7.8
405.20523	3.7
407.22028	2.1
417.20679	4.2
421.20139	6.7
423.21591	1.1
435.21655	10.8
439.21179	2.3
453.18066	0.9
453.22928	9.2
471.23373	3.1
490.74628	1.1
587.26093	1.4
601.27600	3.2
619.23114	1.5
619.29895	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01870	2.1
55.05505	2.9
55.13284	0.9
56.19846	0.9
56.83097	1.0
61.93772	0.9
67.05514	2.1
69.03436	1.4
69.07066	1.7
79.05479	3.6
81.03408	1.3
81.07050	2.6
83.04987	5.0
83.05402	0.9
83.08627	0.9
83.24451	1.2
91.05473	9.3
93.07040	3.9
94.66944	0.9
95.04966	3.8
95.08599	2.1
97.06514	1.4
103.05470	48.1
104.05785	3.4
105.03403	7.0
105.04531	1.0
105.07037	12.5
107.04935	1.1
107.08593	4.7
109.06498	2.4
110.24938	1.0
115.03918	2.2
115.05427	1.8
117.07025	4.4
119.08587	10.2
120.08932	1.0
121.06496	1.3
121.10153	1.3
123.04375	1.2
128.06273	1.9
129.06989	3.5
131.04932	100.0
131.08604	6.0
132.05252	8.7
133.06535	3.0
133.10127	17.1
135.08025	3.2
141.06990	2.7
142.07779	1.7
143.08556	8.2
145.06480	2.2
145.10112	6.8
147.08067	2.9
147.11652	1.3
149.06017	1.1
149.09605	2.2
155.08543	3.4
156.09341	6.2
157.06490	1.1
157.10164	11.2
158.10611	1.8
159.08066	4.3
159.11694	5.0
160.12064	1.5
161.05991	3.7
161.09612	4.6
163.07552	6.3
163.11191	1.7
165.07013	1.9
165.09134	1.5
167.08592	2.3
168.09335	1.3
169.10130	7.5
170.10927	5.9
171.08058	2.9
171.11713	14.8
172.11969	1.8
173.09598	4.9
173.13242	3.2
174.06683	1.4
175.07539	2.4
175.11172	1.1
177.09142	6.3
179.07088	1.2
179.08536	2.0
181.10127	2.3
183.08029	1.9
183.11711	12.7
185.09581	5.1
185.13240	10.4
186.10306	1.5
186.13583	1.7
187.07457	1.2
187.11159	4.4
187.14917	1.3
188.11487	1.2
189.05476	2.1
189.09062	3.4
189.12712	1.5
191.06964	1.7
191.10619	1.2
193.10083	3.6
194.10843	1.3
195.08098	1.1
195.11703	4.1
196.12563	1.3
197.09648	2.6
197.13258	4.3
198.10344	1.2
199.11180	6.5
200.11781	1.9
201.09030	2.0
201.12752	4.1
202.13269	1.5
203.10626	2.6
205.10304	1.3
205.12221	1.6
206.10857	2.2
207.11693	5.5
209.09727	1.4
209.13245	1.9
211.11165	2.8
213.09160	2.1
213.12746	14.8
214.13309	1.4
215.10699	3.5
215.14243	3.4
217.08466	2.0
217.10283	1.5
217.12093	1.3
219.08151	1.4
219.11653	2.7
220.12450	1.5
221.13234	4.3
223.11214	2.3
225.12758	1.9
227.10634	2.8
229.10126	1.9
229.12212	2.7
231.11833	1.5
231.13823	3.1
232.12419	1.9
233.13344	2.4
234.13873	2.0
235.11092	1.2
235.14801	1.9
241.12184	5.0
242.13043	1.4
243.13846	2.5
244.12421	1.8
245.13252	2.8
245.15375	4.1
246.14102	2.4
247.11055	1.5
247.15024	1.9
249.16515	1.3
250.13263	1.3
251.14311	2.3
257.13239	3.0
258.14011	2.6
259.13013	2.0
259.15134	2.0
261.12729	1.3
261.16486	1.5
265.12277	1.8
268.12656	1.3
269.13104	1.7
271.14774	2.2
272.15518	1.8
273.14609	4.6
275.12671	4.1
275.17938	1.6
277.12189	1.6
279.13757	2.7
281.13135	1.3
285.16422	1.6
291.16107	2.4
293.15509	1.3
299.14337	1.5
299.17712	1.3
301.16037	1.3
303.13635	1.7
303.17377	1.4
305.15402	1.9
307.13150	1.3
313.15875	1.3
315.13705	2.0
315.17322	1.2
316.14114	1.3
317.15219	1.7
319.16937	2.3
321.15073	1.9
321.18420	9.6
328.14590	2.4
329.15317	1.8
329.19083	1.2
331.16895	3.9
333.14978	1.3
333.18536	6.5
343.16913	6.4
345.18567	5.2
347.20032	3.9
349.17990	2.5
357.18408	7.5
361.17984	6.2
362.18457	1.2
373.17850	2.9
374.18195	1.3
375.19571	8.8
385.17941	2.7
391.18774	2.0
393.20346	4.3
403.18988	8.9
405.20703	4.9
407.22046	4.5
417.20355	5.9
421.19788	3.7
423.21536	1.7
435.21664	10.7
438.20529	1.1
439.21097	1.3
453.22720	9.4
471.23904	1.6
584.03992	1.0
601.27399	1.5
619.27979	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	619.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	13.5
55.01863	18.9
55.05512	15.7
57.03413	10.2
58.88762	6.1
65.03941	8.8
66.89686	7.1
67.05507	46.5
69.03436	89.9
69.07047	28.0
71.04987	8.9
71.55776	6.7
73.02911	7.7
77.03902	6.1
79.05500	42.6
81.03416	21.3
81.07060	62.4
83.04980	29.7
83.08618	8.7
84.08108	16.9
85.02888	23.8
85.06525	20.1
86.06055	17.1
89.36159	6.1
91.05480	71.6
93.07051	56.0
95.04948	35.2
95.08606	49.5
97.02875	15.4
97.06515	22.0
99.04451	13.5
103.04755	5.2
103.05437	34.2
105.07038	67.6
107.04931	18.3
107.08605	59.6
109.02888	11.7
109.06509	25.9
109.10154	22.8
110.56915	5.8
111.04447	9.7
111.08089	11.9
113.06020	9.3
115.05446	7.0
116.10754	34.4
117.07008	22.9
119.04960	15.5
119.08575	67.6
121.06506	23.4
121.10148	20.3
123.04398	11.9
123.08052	14.8
125.05993	10.1
125.09606	9.8
127.03914	13.0
127.07540	6.7
128.06177	11.4
129.06985	21.9
131.04924	53.8
131.08539	30.5
131.39389	6.4
133.06516	32.6
133.10138	55.0
135.04446	12.7
135.08057	24.7
135.11710	11.5
137.05991	14.1
137.09625	11.2
141.06996	9.4
142.07762	19.3
143.08568	51.2
145.06485	27.2
145.10094	41.9
147.04463	8.1
147.08043	41.8
147.11685	15.0
149.05965	12.4
149.09648	21.6
151.07558	15.3
155.08560	17.9
156.09325	21.8
157.06505	8.3
157.10138	53.9
158.07185	6.3
159.08041	41.1
159.11688	19.3
161.06042	30.6
161.09607	34.7
161.13272	5.9
163.07513	16.5
163.11165	11.2
165.07074	9.8
165.09137	14.0
167.07201	6.2
167.08565	9.9
168.09219	7.0
169.10095	44.5
170.10861	17.4
171.08034	21.2
171.11703	92.0
172.08839	9.3
173.05977	10.5
173.09651	37.5
175.07581	18.0
175.11192	9.8
177.05402	8.5
177.09088	12.2
179.07059	9.7
179.08542	12.1
179.10622	9.9
180.09360	9.8
181.10115	26.4
183.08060	14.0
183.11703	63.9
184.08817	8.1
185.09607	21.2
185.13228	50.8
186.10286	6.9
187.07547	10.1
187.11154	21.5
189.05431	12.2
189.09135	11.9
189.12816	9.4
191.10643	9.7
193.10118	25.3
194.10887	10.7
195.07993	9.1
195.11694	19.6
197.09621	24.0
197.13266	29.8
198.10501	7.0
199.07507	15.5
199.11177	70.5
201.09065	17.2
201.12779	13.4
203.10558	7.7
205.10173	14.7
205.12045	6.1
206.10918	15.2
207.11676	28.4
207.13498	6.2
208.12473	8.2
209.09641	10.7
209.13237	23.5
211.11105	23.0
213.09102	17.4
213.12712	54.5
215.10643	21.0
217.10223	13.9
217.12102	14.9
219.11752	13.3
220.12477	10.3
221.13275	21.4
223.11148	19.4
223.14816	14.6
224.11867	7.6
225.12755	13.9
227.10658	13.0
228.15970	26.8
229.10184	8.8
229.12195	17.8
229.16089	14.6
230.10916	8.8
231.09911	9.8
231.11888	12.6
231.13823	33.3
232.12416	9.2
233.09660	10.4
233.13264	22.0
234.13998	7.1
235.11250	13.9
235.14784	24.0
236.11885	7.1
237.12695	16.5
239.10648	7.6
241.12236	22.5
243.11842	11.2
243.13889	10.3
244.12413	13.8
245.13380	33.6
246.14040	25.0
247.14809	25.1
249.12817	13.4
249.16405	17.4
251.14282	12.3
251.27272	6.7
253.12347	9.2
255.11588	6.9
258.14047	10.1
259.11026	11.5
259.15097	10.8
260.15686	10.2
261.12872	14.2
261.16553	35.1
262.13535	9.0
263.14340	12.8
265.12402	8.1
265.15732	7.8
267.13834	12.4
269.12921	7.6
271.14786	10.5
272.11774	8.5
273.12802	10.7
273.16232	9.6
274.13449	10.9
275.14392	12.1
275.17944	17.4
276.15045	11.7
277.16202	6.9
279.13916	7.1
279.17477	12.3
281.15323	16.0
284.11783	9.4
285.12723	9.3
286.13333	7.2
287.14136	14.1
289.15759	16.5
291.14349	7.5
291.17471	25.1
293.18982	19.3
301.14923	8.2
302.16705	7.5
303.17422	24.4
305.15292	11.4
307.16840	27.0
309.18549	7.2
309.24286	8.3
313.11813	9.8
313.15552	10.5
317.15341	22.4
319.16925	20.3
320.17569	12.5
321.14966	10.1
321.18448	46.9
331.16882	25.1
333.18521	8.9
335.16208	7.9
337.17969	15.1
339.19604	29.4
341.15421	8.8
342.22607	9.1
344.24335	15.2
345.18423	13.4
347.16608	16.7
349.17917	26.6
355.16913	10.4
357.20432	12.1
359.16339	27.2
361.18298	8.8
363.19620	16.9
365.17398	15.9
367.18967	9.9
373.17831	30.7
377.17590	35.0
379.18704	12.5
381.20486	8.9
383.16351	11.7
389.17270	11.0
391.19070	37.6
395.18530	28.0
397.20001	8.2
399.21695	10.9
401.17618	28.9
407.18689	13.4
409.20004	33.9
419.18420	51.2
427.21335	11.2
437.19632	100.0
439.20859	7.7
451.21762	7.6
455.20700	70.7
473.21506	17.7
497.21667	13.4
505.63120	6.6
515.22681	10.2
523.22888	10.4
583.24896	8.3
601.27539	20.5
619.30035	24.8
631.03198	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	619.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	14.5
55.01857	20.0
55.05505	40.1
57.03437	11.7
60.29385	6.8
67.05515	52.0
69.03146	5.2
69.03436	56.6
69.07067	35.5
69.31979	6.8
69.91936	21.0
69.92319	15.1
70.06581	14.4
71.01356	7.0
71.04971	12.4
72.49922	6.6
79.05489	39.7
81.03429	42.5
81.07060	78.2
82.62775	6.6
83.04991	39.0
83.08624	9.2
84.08121	19.1
85.02897	39.3
85.06524	11.3
87.00815	12.1
91.05470	59.7
93.07039	68.5
95.04966	51.5
95.08599	58.0
95.94524	6.2
97.02876	15.6
97.06521	27.9
97.10191	8.3
99.04446	17.6
99.08098	10.2
103.05471	20.4
105.01849	9.4
105.07043	100.0
107.04938	30.2
107.08601	50.7
109.02866	13.7
109.06502	32.4
109.10142	26.4
111.04473	9.8
111.08157	12.6
115.05466	15.0
116.07096	7.7
116.10735	7.2
117.07009	28.6
118.65731	6.5
119.04962	18.6
119.08585	62.8
121.06491	28.3
121.10114	27.7
121.45002	6.3
123.04391	17.3
123.08049	17.6
123.11693	9.5
125.06011	25.7
127.03881	27.3
128.06227	16.0
129.06975	28.5
130.07854	9.5
131.04910	31.4
131.08557	50.4
133.06470	34.8
133.10135	49.7
135.04391	7.1
135.08064	30.2
136.07643	7.7
137.05965	14.3
137.09592	10.7
141.07014	23.3
142.07806	22.8
143.08568	41.3
145.06493	32.9
145.10144	43.7
147.08047	27.6
147.11661	31.6
149.06003	13.8
149.09593	26.8
151.07526	15.5
153.06889	10.8
154.07756	9.6
155.08539	30.4
156.09358	36.6
157.10153	56.6
158.07260	8.2
159.08046	37.6
159.11685	24.5
161.05998	50.4
161.09598	23.6
161.13318	9.3
163.07541	15.5
163.11136	12.2
165.05545	7.9
165.06932	17.3
165.09189	7.5
166.07721	7.5
167.08582	19.2
168.09248	8.9
169.06447	8.9
169.10158	48.1
170.10873	16.9
171.08023	23.9
171.11684	78.1
172.08736	9.7
173.05936	12.4
173.09599	52.1
173.13275	7.7
175.07704	15.5
175.11165	12.1
177.05524	10.3
177.09077	12.5
179.07004	14.1
179.08490	15.3
179.10684	9.1
180.09317	11.2
181.10133	24.8
183.08014	13.9
183.11745	43.5
184.08826	7.9
185.09584	27.4
185.13210	39.4
187.07594	10.2
187.11208	31.7
189.05513	9.5
189.09119	14.1
189.12772	11.7
191.10634	9.2
193.08551	7.6
193.10127	25.1
195.08118	9.5
195.11699	21.9
197.09576	25.9
197.13234	22.4
198.10341	11.8
199.07529	9.3
199.11212	70.8
201.09079	13.9
201.12769	13.4
205.10222	12.0
205.12248	12.4
206.10890	16.8
207.11754	20.8
207.13737	12.6
209.09589	15.6
209.13263	14.7
211.11229	22.1
211.14680	9.5
213.09081	17.6
213.12698	36.3
215.10663	32.1
217.10300	10.1
217.12155	9.3
219.11737	15.6
220.12459	14.6
221.13223	22.1
223.11131	14.5
225.09065	21.6
227.10638	15.9
229.12206	16.5
231.11784	14.4
231.13852	21.1
232.12413	21.0
233.13329	13.6
235.11319	9.5
235.14864	14.8
237.12732	14.8
239.10730	9.5
241.08618	11.7
241.12263	14.5
243.13779	8.6
244.12540	13.2
245.13257	21.3
246.14108	13.8
247.14899	19.9
249.12840	12.2
249.16441	11.9
257.07840	10.4
257.11667	12.1
258.14175	10.2
259.13226	9.2
260.15631	12.0
261.16370	20.7
262.16934	8.2
263.18243	8.3
267.13940	10.2
273.12622	10.0
274.13556	8.8
275.14655	8.0
275.17749	12.8
277.15677	10.0
279.17462	9.3
281.15259	19.0
291.17328	14.6
291.22922	15.2
293.15320	8.5
293.18817	13.9
301.15631	8.1
303.17325	15.5
305.15195	7.2
307.16785	11.7
309.18335	8.0
309.24173	53.5
313.12027	10.8
313.15958	8.2
315.13370	8.9
319.16898	15.3
320.17694	12.4
321.18365	25.8
327.25214	19.3
329.15164	7.2
331.16910	17.0
337.17908	20.7
339.19427	13.8
347.16409	12.6
349.17868	16.0
351.19641	8.1
359.16519	16.7
361.17889	17.0
363.19626	8.5
366.35223	8.1
373.17920	29.0
377.17352	24.4
379.18851	9.2
391.18869	21.2
395.18320	16.8
397.20007	12.8
401.17505	15.3
403.14893	9.9
409.19958	21.0
419.18475	23.9
437.19510	49.9
455.20386	48.9
463.17325	16.2
481.18341	15.8
511.19040	15.7
523.19470	16.6
541.20880	19.0
601.27612	9.1
619.24860	8.8
619.30536	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	619.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.5
53.03943	2.5
55.01872	1.8
55.05506	2.8
65.03958	0.8
67.05510	1.8
69.03426	1.9
69.07067	1.7
70.76727	0.7
74.83604	0.7
76.24511	0.8
79.05495	4.1
81.03445	1.8
81.07057	3.4
83.04972	1.8
91.05489	7.5
91.95177	0.8
93.07040	3.5
95.04985	5.9
95.08598	1.5
97.06525	1.0
98.20693	1.3
103.03979	1.9
103.05479	46.8
105.03399	3.6
105.07040	8.6
107.04945	2.9
107.08598	2.8
109.06506	1.6
113.02403	1.2
114.11627	0.7
115.03929	0.8
115.05461	1.6
117.07029	4.6
119.04945	2.2
119.08581	7.8
121.02879	2.5
121.06509	2.9
121.10175	1.8
123.04429	1.5
123.08076	1.7
128.06216	2.4
128.86684	0.7
129.07021	3.0
131.04936	100.0
131.08562	8.7
133.06468	4.6
133.10167	5.6
135.08018	2.2
137.05956	2.1
137.09663	0.8
139.03969	0.8
141.06992	2.0
142.07787	2.6
143.08583	6.5
144.09315	1.2
145.06494	5.2
145.10136	5.4
146.07147	0.8
147.08069	4.6
147.11711	1.3
149.05989	1.7
149.09621	2.9
151.07558	1.1
153.06987	1.3
155.08588	3.8
156.09378	4.2
157.06398	1.2
157.10132	9.0
159.08066	15.2
159.11699	3.2
161.05991	5.6
161.09656	4.1
163.07539	3.3
163.11226	1.1
165.07056	1.3
167.08664	1.1
168.09372	1.0
169.10114	3.9
170.10922	2.3
171.08061	3.1
171.11726	11.3
172.08875	1.7
173.05977	1.1
173.09668	5.8
173.13251	4.5
174.52032	0.8
175.07562	3.1
175.11198	1.5
177.05554	1.9
177.09111	2.3
179.07047	6.0
179.08447	1.5
181.10016	2.0
182.07382	0.9
182.11134	1.1
183.08092	2.1
183.11710	9.5
184.08862	1.8
184.12456	1.0
185.09650	4.6
185.13281	6.4
186.10396	1.5
187.07542	3.6
187.11197	3.3
189.05464	1.7
189.09132	2.1
189.12784	0.8
191.10667	2.3
192.09518	1.1
193.10161	2.8
194.11009	0.8
195.11693	3.0
196.08810	2.2
197.05969	0.9
197.09612	2.5
197.13292	3.0
199.07440	1.2
199.11194	7.1
200.11989	1.8
201.09138	2.9
201.10875	1.2
201.12762	15.2
201.14548	0.6
203.07068	1.5
203.10680	2.1
207.11719	2.7
209.09616	1.4
209.11441	0.8
209.13319	1.3
211.07553	0.8
211.11174	8.4
212.11845	0.9
213.09203	3.3
213.12747	10.0
215.06995	4.6
215.10675	2.0
217.08585	2.4
217.12193	2.0
219.10083	1.8
219.11971	1.2
219.13803	3.6
220.12653	0.9
221.09651	1.2
221.13222	2.1
223.11194	1.5
223.14862	0.9
224.08247	1.2
224.11971	0.9
225.09128	1.6
225.12636	1.0
227.10683	2.2
229.12303	6.3
230.11003	0.8
231.10002	1.1
231.13885	2.8
233.13295	1.7
233.15331	1.0
234.10214	1.1
235.14870	1.8
237.12924	1.1
239.10735	2.7
240.11580	0.9
241.12279	4.0
243.13930	1.0
245.15440	1.4
247.13211	1.4
249.16553	1.4
251.14270	1.0
257.09219	1.3
257.11697	16.9
259.13080	1.2
261.12653	0.9
269.15613	1.0
273.14679	4.6
275.12775	15.3
277.15836	1.2
289.12158	1.1
289.15839	0.9
291.15958	2.3
301.15411	1.0
302.16687	0.9
317.15375	1.1
319.16980	1.1
327.17429	0.9
329.15103	1.1
331.16843	1.9
333.18549	1.8
337.18143	1.0
343.16998	1.8
345.14621	1.2
345.18576	1.2
347.16455	1.9
347.20203	1.3
357.14462	0.9
357.18561	1.3
359.15219	1.5
361.17935	2.3
365.17496	0.9
373.17899	1.5
375.19775	3.7
377.16220	4.3
385.18039	1.0
393.20779	1.3
403.19028	3.1
407.18289	1.8
417.21115	0.9
421.20059	3.1
425.19681	2.2
435.17978	3.4
435.22714	1.4
453.18417	6.2
471.20224	2.8
501.24310	1.1
601.25397	1.0
618.23920	0.8
619.24817	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	618.473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64210	6.8
55.05519	36.7
57.03437	13.6
57.07080	39.7
67.05514	59.8
69.03927	7.1
69.07067	34.3
69.47717	54.5
71.08614	9.9
76.91386	7.6
79.05500	40.3
81.03417	26.0
81.07065	73.1
83.08606	24.3
85.10174	8.2
87.04477	80.2
91.05067	6.3
91.05495	77.1
93.07055	43.5
95.04961	18.4
95.08604	51.5
97.06535	7.8
97.10149	11.2
98.84318	6.0
105.07047	48.2
106.35732	6.6
107.08590	24.0
109.10138	26.0
116.06183	8.5
117.07014	37.3
119.08596	25.5
121.06494	9.2
121.10139	15.1
128.06262	9.1
129.07019	41.0
131.08578	81.4
133.10127	15.7
135.11708	6.9
141.06970	14.6
143.08580	36.4
143.09546	7.5
145.10147	41.3
147.11722	10.2
149.13217	8.6
152.37155	7.1
155.08575	33.8
157.10155	36.2
159.11717	12.2
167.08577	9.6
169.10121	15.3
171.11697	18.8
181.10106	15.4
191.90753	6.9
193.12254	8.8
195.11728	7.6
240.59767	6.6
267.15729	37.2
341.30569	26.3
454.25482	7.5
473.37463	16.6
491.38925	55.8
506.38943	22.8
509.39856	22.3
511.66071	7.2
527.41083	20.0
533.41833	30.9
565.42255	30.9
583.35236	8.8
583.43658	100.0
601.44501	19.8
618.41235	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	619.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01872	1.7
55.05511	1.9
56.74337	0.7
65.03920	0.9
67.05505	2.1
69.03467	0.8
69.07058	1.0
69.21392	0.9
69.21716	7.2
79.05511	3.7
81.03423	1.3
81.07048	2.3
83.04971	2.6
90.41518	0.7
91.05482	7.1
91.94656	0.7
93.07045	4.8
95.04965	4.0
95.08599	2.3
98.21519	1.7
103.05473	49.6
103.94724	0.6
105.03385	2.6
105.04507	0.8
105.07039	9.7
107.04956	1.3
107.08586	2.4
109.06498	1.7
109.10161	0.7
115.05415	1.3
116.06239	0.8
117.07026	3.4
119.04947	1.4
119.08598	8.2
121.06522	2.1
121.10159	1.9
123.08095	1.3
128.06250	1.7
129.07010	2.2
130.07794	0.8
131.04938	100.0
131.08591	5.4
133.06509	3.6
133.10133	5.2
135.08073	2.4
137.02348	1.4
141.06958	1.3
142.07822	3.0
143.08560	4.7
145.06502	2.0
145.10121	4.2
147.04413	1.4
147.08009	3.7
147.11687	1.2
149.05989	3.0
149.09621	2.3
151.07582	0.8
153.07011	1.6
155.08559	3.4
156.09363	3.2
157.06413	1.0
157.10107	6.4
159.08066	8.3
159.11697	2.6
161.05936	2.8
161.09618	3.4
163.07588	2.7
165.06981	1.4
165.09200	1.0
167.08591	2.6
169.10161	6.3
170.07272	1.3
170.10965	2.9
171.08080	2.1
171.11682	5.8
173.06067	1.5
173.09624	3.1
173.13245	1.6
175.07603	2.1
175.11227	1.2
177.05553	1.0
177.09126	2.2
179.07014	1.2
179.08505	1.0
180.09404	1.4
181.10175	2.4
183.08272	0.8
183.11700	6.9
184.08908	0.8
185.09607	2.9
185.13307	5.3
186.10429	0.8
187.07623	1.3
187.11198	2.3
189.05457	1.8
189.09113	2.5
191.08745	1.0
191.10587	1.3
192.09392	1.1
193.10121	2.8
195.11720	2.9
196.08887	0.8
197.09676	2.1
197.13289	1.1
198.10509	1.1
199.07588	0.9
199.11299	3.4
201.09131	2.1
201.12779	2.1
204.09233	1.0
205.08632	1.3
205.10341	1.2
206.10921	1.8
207.08109	1.4
207.11784	3.4
209.09622	1.7
209.13290	2.2
211.07576	1.2
211.11215	3.3
213.09181	1.5
213.12724	6.9
215.06812	0.9
215.10646	1.8
217.08626	2.5
217.10442	0.9
217.12138	1.7
218.10878	1.1
219.11766	1.9
220.12425	1.2
221.09665	1.6
221.13287	2.9
223.07623	0.7
223.11241	2.3
223.14850	1.0
225.12822	1.1
227.10641	1.6
229.08492	1.2
229.12292	2.1
230.10945	1.4
231.10017	1.7
231.11913	1.5
231.13875	1.7
233.09697	1.1
233.13243	2.4
233.15474	0.7
235.11195	1.2
235.14842	1.1
237.12653	1.3
239.10666	1.6
241.12297	1.8
242.10924	1.3
243.11797	1.0
244.12448	1.2
245.13274	2.9
247.11278	1.1
247.14969	1.4
249.12779	1.9
253.10152	0.9
256.12451	1.1
257.13333	1.4
259.15088	1.4
260.11920	0.8
262.13525	1.0
263.14331	1.1
270.13916	1.5
271.10947	0.8
271.14828	1.7
273.12405	1.1
273.14981	1.6
277.12268	1.1
279.13925	1.1
285.12982	1.0
285.16226	0.9
287.14484	0.9
289.15680	0.8
291.16196	1.4
297.12686	1.1
299.14322	1.2
303.13779	1.0
305.15607	1.2
313.16083	1.0
315.13733	0.9
315.17505	0.9
317.15350	1.2
319.13437	1.1
319.17023	2.1
328.14819	1.1
329.15289	1.3
331.13428	1.1
331.16989	3.2
333.14883	1.3
333.18671	1.2
341.15402	1.5
343.16907	2.9
345.14902	1.8
345.18503	1.6
347.16376	2.1
349.18121	1.4
351.19861	1.4
357.18582	1.4
359.16406	2.4
361.18063	3.3
363.15524	1.0
371.16495	2.4
373.18066	1.5
375.19962	1.5
377.17554	2.3
379.19031	3.1
389.17542	4.5
391.18887	1.1
397.20398	1.5
399.15881	1.2
403.19101	1.4
405.16956	2.6
407.18558	3.9
417.16968	2.9
421.20331	1.5
423.17987	1.5
425.19522	2.6
435.18057	2.7
435.23090	1.1
440.89957	0.7
443.20673	1.3
453.19223	3.3
471.20172	5.0
489.20877	1.0
501.61401	0.7
520.02338	0.8
559.21033	0.9
601.25751	1.1
619.25122	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	618.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01850	1.9
55.05511	18.7
57.07084	11.9
66.15261	2.3
67.05502	13.7
69.03415	7.8
69.07068	5.1
71.04999	3.7
71.55215	2.1
73.60461	2.2
79.05493	16.5
81.07060	22.6
83.04980	7.5
83.08628	34.0
85.06543	4.7
87.04472	41.2
91.05499	21.5
93.07059	32.2
95.04977	16.5
95.08624	18.9
97.06530	10.3
99.04397	2.1
103.05502	2.4
105.07030	40.4
106.41840	2.2
107.04919	2.6
107.08606	33.0
108.08910	2.8
109.06525	8.4
109.10151	11.8
111.08082	4.4
115.05457	2.5
116.61884	2.1
117.07009	11.1
119.08595	38.7
120.09418	3.6
121.06493	10.0
121.10159	16.1
123.08077	17.8
125.09631	6.3
128.06207	6.0
129.07008	8.2
130.07776	3.8
131.08589	26.1
133.06514	4.4
133.10136	19.5
135.08008	11.4
135.11705	5.2
137.09637	7.1
139.11230	4.6
141.06964	3.4
142.07777	10.9
143.08586	15.6
144.09326	8.3
145.00937	2.5
145.10130	35.2
146.10611	2.9
147.08031	12.6
147.11697	8.8
149.09653	5.6
151.07536	8.9
155.08574	6.8
155.10686	4.7
156.09314	6.9
157.10132	33.4
158.10904	5.1
159.08076	6.3
159.11702	19.8
160.08821	6.3
161.05954	2.2
161.09615	8.3
161.13231	4.4
163.11183	9.8
165.07031	3.0
165.09113	23.9
167.08546	2.7
167.10623	3.9
169.10144	10.8
170.10930	5.3
171.11713	18.1
173.09624	4.3
173.13286	6.5
175.11203	9.6
177.12701	2.8
179.08597	2.4
179.14372	3.5
181.10155	7.5
181.12199	11.5
182.10925	5.7
183.11737	11.8
185.13258	6.0
187.11221	5.9
187.14870	2.5
189.12761	7.9
190.13562	7.8
191.14392	2.4
193.10188	4.1
193.12241	6.0
194.10974	2.4
195.11678	9.6
196.12344	2.2
197.13266	10.1
199.11102	3.3
199.14883	4.0
201.12735	4.1
203.14346	9.6
207.11891	5.0
207.13881	9.2
208.12405	3.4
208.14586	8.7
209.13322	7.1
211.11255	3.1
211.14835	4.6
213.12761	6.1
213.16547	2.9
217.15749	3.0
219.13840	3.5
221.13406	3.2
221.15382	43.4
222.15851	2.6
223.14836	4.0
225.12912	3.2
225.14850	7.9
227.14297	5.1
233.13278	3.3
233.15286	11.6
234.16197	7.0
235.14757	3.7
237.12767	3.5
237.16498	2.9
239.17830	2.2
247.17058	11.9
249.16574	2.6
273.18555	3.8
285.18423	2.9
286.19354	4.4
287.20093	31.5
288.20581	2.6
299.20038	10.2
312.20691	2.4
313.21524	2.8
325.21664	7.8
337.21439	3.3
339.23325	3.0
352.23975	62.6
353.24649	3.2
365.24734	9.8
367.26709	3.0
395.25925	6.2
472.31689	5.5
525.35614	9.8
538.36597	100.0
600.41229	5.8
618.42096	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	618.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01871	1.7
55.05508	5.2
57.07072	1.0
59.05001	0.9
63.26262	0.9
65.91180	1.0
66.13075	0.8
67.05513	7.9
67.57476	0.9
69.03434	3.9
69.07059	3.6
71.04990	2.2
79.05494	12.2
81.03419	3.0
81.07060	30.7
83.04985	4.5
83.08603	1.1
85.06556	1.8
91.05481	13.3
93.07056	8.0
95.04982	4.2
95.08614	8.1
97.06526	3.1
103.05460	5.2
105.03371	1.1
105.07040	15.1
107.04964	3.6
107.08607	9.5
109.06527	13.9
109.10155	2.0
111.08060	1.5
115.01664	0.9
115.05440	2.0
116.06372	1.2
117.07012	6.7
119.08591	11.4
121.06553	2.0
121.10155	5.4
123.08072	3.7
128.06250	1.7
129.07025	7.1
130.07771	1.5
131.04958	5.6
131.08569	8.1
132.05258	1.0
133.06474	2.1
133.10126	7.2
135.08046	6.5
135.11681	1.3
137.09644	2.4
141.07022	2.4
142.07816	4.4
143.08560	10.3
145.06525	2.9
145.10135	12.7
147.08043	10.9
147.11734	2.4
149.09627	8.9
151.07510	1.0
153.07031	1.5
155.08551	5.4
156.09360	3.8
157.10143	16.6
158.10806	1.2
159.08064	8.9
159.11705	8.3
161.09630	5.8
163.07515	4.1
163.11171	1.2
165.07053	2.3
165.09143	1.6
166.07762	1.0
167.08621	2.5
168.09421	1.8
169.10135	8.0
170.10846	1.9
171.08067	2.6
171.11687	13.2
172.08881	0.9
173.09677	5.0
173.13356	3.2
175.07582	1.6
175.11220	2.0
177.09212	1.5
178.07809	1.0
179.08623	2.2
180.09319	2.2
181.10143	5.2
182.10939	1.1
183.07993	1.0
183.11694	10.5
185.09644	3.5
185.13315	6.1
186.10327	1.1
186.13947	0.9
187.11212	4.2
188.12080	1.0
189.12749	2.0
193.10126	3.8
194.10750	1.2
195.11728	5.8
196.12425	1.1
197.09651	2.9
197.13232	6.0
198.14015	1.2
199.11192	5.5
199.14816	3.2
201.09068	1.3
201.12755	4.0
206.10909	2.6
207.11726	4.4
208.12476	3.0
209.09738	2.0
209.13278	5.0
211.11162	4.7
211.14856	3.0
213.12799	5.0
213.16368	7.1
214.13190	1.0
215.10672	1.4
215.14291	1.6
217.10265	1.6
217.12195	2.2
219.11684	1.6
220.12547	1.1
221.13283	3.6
221.15337	1.5
223.11255	1.8
223.14876	3.8
224.11981	1.4
225.12752	6.0
226.13521	2.5
227.14426	1.9
229.12276	2.9
229.16014	1.2
230.11104	1.1
230.16751	1.1
232.12483	2.0
233.13260	1.9
234.13969	1.3
235.11183	1.6
235.14894	2.5
236.15926	1.1
237.12730	1.8
237.16422	2.1
239.14230	2.8
241.15903	10.7
243.11618	1.4
243.13812	2.2
245.13232	1.6
245.15404	1.5
246.14041	1.2
247.14832	2.3
248.15602	1.0
249.12733	1.0
249.16518	1.0
251.14427	1.9
253.05809	0.9
253.15874	1.1
255.17439	1.3
257.13123	1.4
257.15472	1.2
259.13364	1.1
259.16922	1.8
260.15503	1.1
261.16483	1.7
263.14374	1.4
263.18121	1.3
265.15945	1.2
270.13913	1.2
274.12906	1.0
275.18106	1.3
277.15991	1.1
279.17462	1.0
283.17004	1.8
287.17941	1.5
291.17285	1.0
295.17020	1.2
301.17929	5.4
303.17410	1.5
305.18921	1.8
310.25967	0.8
315.17191	2.4
319.20853	1.5
321.18579	2.2
321.22137	2.1
323.20160	2.7
329.18979	1.4
331.20541	1.2
333.18674	1.7
339.19696	2.0
341.21106	3.7
347.20050	1.9
349.21683	5.4
357.18576	1.3
361.20190	1.4
363.23163	3.3
365.21039	3.3
367.22977	1.2
379.22845	1.1
381.24298	3.7
389.21051	1.4
391.22626	8.1
407.22144	2.0
409.23770	21.6
413.05103	0.9
425.23047	1.2
435.21750	3.6
435.27924	1.4
445.27539	1.2
451.24780	2.3
453.22919	1.6
463.28546	2.8
469.25909	100.0
470.26355	1.3
481.29330	5.4
569.27496	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
53.37668	1.1
55.01864	5.4
55.05514	16.6
56.05027	1.8
57.03449	2.1
67.05506	5.2
69.03423	4.9
69.07069	5.6
69.20226	1.1
70.06586	3.2
71.05002	2.7
71.08630	4.3
72.08168	6.5
73.02910	4.4
73.96307	1.1
79.05487	5.0
79.57048	1.3
81.03417	7.4
81.07068	6.6
83.04983	4.9
83.08623	22.2
84.08110	2.1
85.02893	3.1
86.06078	47.1
91.05491	6.3
92.39469	1.2
93.07068	9.9
95.04967	6.2
95.08604	8.9
96.08135	5.9
97.02896	2.8
97.06524	3.0
98.06052	4.3
98.09696	24.5
99.04452	11.9
99.08085	2.6
101.05994	1.3
103.05465	7.2
105.03410	2.4
105.07034	4.7
107.08607	3.3
108.08123	5.4
109.02882	7.1
109.06494	2.2
109.10175	2.4
109.55164	1.1
111.08080	8.9
114.09169	4.6
116.10743	100.0
117.07023	1.7
119.08589	5.9
120.08903	2.2
121.06538	6.2
121.10164	3.0
122.09713	5.7
123.08191	1.4
124.07573	4.8
126.09164	1.6
127.03932	5.7
129.07054	1.9
131.04965	12.1
131.08557	4.5
132.05228	2.5
133.06474	1.6
133.10127	3.3
135.08057	2.2
135.11684	1.4
139.07556	5.9
140.10736	3.7
142.08672	6.0
142.12289	4.8
143.08594	2.4
143.10693	15.3
145.06491	2.3
145.10080	3.3
147.08043	3.8
149.05939	1.6
149.09599	2.5
152.10710	2.2
156.09296	1.6
157.08615	4.1
157.09981	2.3
159.07996	1.6
161.05966	2.1
161.09615	2.1
163.07542	4.6
169.10013	1.6
170.10579	2.0
171.11693	5.1
172.11964	2.3
173.09665	1.8
175.09647	5.2
178.12306	2.3
182.11761	4.6
183.10197	17.3
183.11740	2.9
185.13261	3.3
186.13538	1.8
193.10027	1.5
196.16980	2.0
199.11143	2.6
201.11191	4.9
206.11746	4.6
208.16995	1.5
213.12900	2.1
213.14836	1.8
214.13016	1.4
214.18034	18.5
217.12265	1.5
218.10843	1.3
218.13028	1.3
218.15356	2.4
224.12802	3.1
231.13797	1.8
236.16507	9.3
254.17529	59.1
272.18503	5.6
301.12503	1.8
314.19592	9.2
346.18930	1.4
352.24768	3.2
360.16739	1.5
362.19482	2.0
374.17746	2.0
380.20679	21.8
394.25769	2.2
398.21732	16.9
404.19601	2.5
412.26938	1.4
416.22821	88.4
420.18906	1.8
422.20444	2.1
434.23981	16.3
475.05328	1.3
478.27725	1.9
496.29214	6.3
514.30219	43.5
520.27582	96.0
532.31299	9.4
600.34357	9.9
618.25909	1.8
618.35059	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.2
53.03937	1.0
55.01859	0.9
55.05512	3.8
57.03438	0.3
57.07049	0.4
62.06086	0.5
67.05505	1.6
68.75750	0.2
69.03422	0.7
69.07073	1.8
70.06587	0.6
71.04996	0.3
71.08635	5.3
71.55408	0.5
72.08162	1.4
73.02908	0.6
79.05482	1.7
79.54607	0.3
80.69997	0.3
81.03421	1.8
81.07066	2.5
83.04967	0.6
83.08623	5.7
84.04493	0.4
84.08134	1.0
85.02907	0.6
85.71803	0.3
86.06070	6.8
91.05489	1.3
93.07050	2.2
94.06544	0.3
95.04997	1.2
95.08604	1.9
96.07551	0.3
96.08132	3.1
97.02895	0.9
97.06544	0.5
98.06041	1.3
98.09698	5.3
99.04461	2.2
99.08087	2.6
100.07587	0.3
101.06016	0.4
103.04791	0.4
103.05477	5.3
104.05803	1.0
105.03384	0.9
105.07008	1.0
107.08569	0.8
108.08121	1.8
109.02905	1.6
109.06515	0.3
109.08922	0.3
110.09681	0.5
111.08104	2.0
113.08379	0.5
114.09165	1.1
115.05463	0.3
116.10737	25.4
117.07018	0.4
119.08556	1.2
119.09332	0.3
121.06487	0.9
121.08900	0.3
121.10126	0.4
122.09673	1.9
123.04447	0.4
124.07584	0.8
126.09149	0.4
127.03893	1.0
129.07028	0.5
129.09128	0.3
131.04933	9.1
131.08543	0.7
132.05261	2.6
133.06500	0.3
133.10107	0.9
135.08055	0.5
136.11224	0.6
138.09122	0.3
139.07526	1.0
140.10706	0.9
142.08641	0.5
142.12308	0.6
143.08492	0.4
143.10675	2.9
144.08975	0.3
145.06448	0.4
145.10088	0.4
146.06831	0.3
147.08020	0.9
147.11665	0.3
149.09581	0.3
152.14351	0.3
154.15913	2.7
155.08588	0.3
156.09306	0.3
157.08789	1.4
157.09937	1.4
158.10472	0.9
159.08044	0.3
159.11656	1.1
160.12000	0.6
161.05981	0.6
161.09627	1.1
162.10046	0.3
163.07545	1.0
164.14371	0.6
166.15927	2.4
168.17502	0.6
169.10135	0.6
170.10674	0.4
171.11674	1.2
172.12070	0.4
173.05934	0.4
173.09502	0.4
173.13261	0.4
175.09695	1.3
177.09111	0.3
178.15903	0.9
181.10081	0.4
182.11789	0.9
182.21892	0.3
183.10175	2.7
183.11691	0.6
184.08826	0.3
184.12117	0.4
185.13243	0.4
195.11688	0.5
196.16972	6.7
199.11150	0.5
201.09225	0.4
201.11267	0.9
201.12996	0.3
206.11748	0.4
209.13170	0.3
213.12810	0.6
213.14761	0.4
214.18022	100.0
215.18332	0.7
218.15413	0.3
224.12930	0.3
225.12848	0.3
231.13766	0.4
233.13133	0.3
236.16487	1.0
241.12469	0.3
254.17537	7.9
262.13028	0.3
265.10733	0.5
272.18509	0.7
283.11713	0.4
301.12689	0.8
314.19669	0.7
323.61472	0.3
346.18695	0.6
352.24905	0.9
374.18130	0.4
380.20633	4.0
398.21716	1.9
406.20944	0.3
412.26843	0.5
416.22809	10.5
421.20026	0.3
424.08389	0.3
424.21896	0.5
434.24164	1.7
445.74722	0.3
451.21332	0.3
452.21436	0.7
470.22299	0.5
478.28073	3.2
496.29163	1.8
499.21561	0.3
514.30127	11.7
520.27588	9.8
532.31195	2.9
600.34247	1.4
618.34967	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	618.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.1
55.01860	10.6
55.05507	6.1
63.37114	3.0
64.71640	3.1
67.05490	9.6
69.07072	6.9
69.99951	15.3
73.07769	3.4
79.05487	14.0
81.03409	9.2
81.03854	3.6
81.07053	10.1
83.04981	5.3
91.05471	16.7
93.07036	14.1
95.04956	15.0
95.08594	4.8
97.02872	7.8
98.21413	6.1
103.05476	16.4
104.97301	3.3
105.03464	4.5
105.07051	20.5
107.04967	9.4
107.08591	9.5
109.06520	4.5
115.05465	9.3
117.07018	9.6
119.08588	20.2
121.06533	5.3
121.10193	4.8
128.06209	5.2
129.06998	16.8
131.04916	15.0
131.08582	14.4
132.05214	4.5
133.06537	19.4
133.10143	11.2
135.08060	9.3
141.06966	7.9
142.07773	9.6
143.08545	12.7
145.06502	7.1
145.10098	16.2
147.08047	32.0
149.09642	12.6
153.07011	5.1
155.08566	24.7
156.09386	7.0
157.10152	22.3
159.08066	25.1
159.11668	5.8
159.38643	3.6
161.05998	58.4
161.09634	24.4
163.07503	15.2
165.05484	9.3
166.07762	4.2
167.08521	6.6
168.09303	6.7
169.06447	5.1
169.10155	17.8
171.08052	5.1
171.11707	22.2
173.09644	6.0
173.13242	5.7
175.07486	4.8
175.11139	5.6
179.08548	3.9
180.09323	4.9
181.10133	6.8
182.10915	6.9
183.08066	22.1
183.11690	16.7
184.12109	5.9
185.09636	11.4
185.13284	9.2
187.11099	5.5
195.11674	14.4
196.08865	7.7
197.09615	8.1
197.13284	42.3
199.11224	26.4
199.14879	6.8
201.09166	3.8
201.12733	9.8
207.11690	5.5
209.09628	4.3
209.13272	4.8
210.10434	8.8
211.11259	8.6
213.12772	11.9
215.14388	6.4
217.12202	4.8
225.12764	100.0
227.10756	4.3
227.14284	11.2
231.13844	4.1
241.12190	4.2
243.13818	67.8
245.15388	8.9
258.13971	4.3
260.15417	3.8
261.14893	11.6
285.14929	9.2
303.15897	13.8
317.18866	4.1
333.18600	3.7
345.18503	5.1
359.20056	5.4
377.21094	4.0
387.19492	16.9
405.20663	22.1
407.22018	8.8
419.22028	13.1
423.21664	12.6
437.23114	13.8
447.21930	5.2
465.22498	9.6
483.23856	68.7
501.24957	10.2
618.27771	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	618.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	11.8
55.05503	16.2
65.32938	5.5
67.05498	10.5
69.03432	31.6
71.55125	8.5
75.27258	5.4
79.05503	16.4
81.03407	10.6
81.07050	12.8
83.04977	13.8
83.12738	6.4
91.05491	29.5
93.07030	13.7
95.04959	25.8
95.08607	10.2
97.06513	5.7
103.05479	46.6
104.05761	10.5
105.03400	11.2
105.07044	31.0
107.08571	19.4
109.06508	8.0
115.05461	9.6
117.07008	19.4
119.08592	41.9
120.08838	6.1
121.06556	7.2
121.10161	9.4
123.08121	6.3
128.06262	7.4
129.07010	19.5
131.04945	100.0
131.08572	22.4
132.05266	17.0
133.06517	15.6
133.10150	33.0
135.08047	18.2
136.85495	6.5
142.07776	11.6
143.08557	25.1
145.06487	20.5
145.10112	27.4
147.08066	84.3
149.09654	7.4
155.08557	12.6
156.09404	9.8
157.10176	42.2
159.08069	29.4
159.11676	13.3
161.05980	9.1
161.09645	40.3
163.07578	8.0
163.11122	8.4
169.10114	13.6
171.08096	14.2
171.11725	51.1
173.09598	26.3
175.07547	12.5
175.11089	6.0
181.10175	9.8
183.11674	23.4
184.08842	7.0
184.12071	10.3
185.09604	17.0
185.13307	38.7
187.07585	10.1
187.11203	20.8
195.11729	9.7
197.09605	10.5
197.13188	7.6
198.10258	9.5
199.11183	22.7
202.31090	5.7
203.10814	6.4
207.11697	11.8
209.09344	5.9
209.13133	5.7
211.11211	10.9
212.11604	6.6
213.12729	49.6
215.10661	7.6
229.12230	9.5
229.71588	5.9
231.10130	8.4
231.13727	9.8
233.13257	6.6
239.10352	6.1
241.12340	7.4
242.41006	6.4
245.15431	21.2
249.12830	9.5
255.13803	8.8
257.13007	6.5
259.13309	16.3
263.16458	7.4
271.14743	6.5
273.14932	15.5
275.14474	7.2
283.14850	8.0
289.12073	6.4
291.16025	9.1
299.14297	8.2
323.16486	7.1
327.17349	19.8
334.15250	14.2
341.18948	10.7
345.18521	10.3
359.20203	8.2
387.19443	20.5
401.21121	23.6
405.20752	10.3
407.22116	6.3
419.22299	44.0
437.23279	34.7
465.22595	8.1
479.24023	16.4
482.19321	7.6
497.25299	16.2
551.25909	8.0
565.28363	10.2
583.28754	49.1
618.28546	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	618.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91484	6.6
53.03946	14.7
55.01867	11.3
55.05511	51.4
61.02951	7.8
67.05508	17.9
68.85017	6.5
69.03436	39.0
69.07069	11.6
69.26346	53.9
79.05502	30.7
81.03448	15.6
81.07062	26.4
83.04987	66.6
83.08617	6.7
84.05297	12.7
85.02927	12.6
91.05478	44.3
93.07038	32.9
95.04994	27.1
95.08615	27.2
97.02924	7.1
97.06540	6.6
103.05486	24.7
105.03390	7.1
105.07050	58.5
106.07394	11.4
107.04962	8.3
107.08603	35.4
109.02896	8.8
109.06567	12.1
109.10162	19.5
109.57273	6.6
115.05532	7.6
117.07009	18.8
119.04980	9.7
119.08578	62.1
120.08948	6.5
121.06522	9.9
121.10140	16.6
123.04440	20.1
127.03923	9.1
128.06236	18.3
129.07036	19.2
131.04919	44.8
131.08591	29.3
132.05267	12.5
133.06516	25.4
133.10139	45.3
135.08070	18.9
135.11739	7.7
141.07005	9.6
142.07806	10.8
143.08578	42.2
145.06499	17.8
145.10167	38.8
146.10513	7.6
147.08067	31.3
147.11688	12.0
149.09615	20.6
155.08553	14.9
156.09344	18.9
157.06630	7.4
157.10152	57.9
158.10518	8.2
159.08084	19.8
159.11752	16.5
161.06003	35.8
161.09644	24.2
162.06355	10.9
163.07582	26.0
165.09143	11.4
167.08554	14.0
169.10118	28.1
170.10869	15.2
171.08000	11.2
171.11707	67.3
172.12132	9.3
173.05986	8.9
173.09639	27.7
175.07611	13.8
177.09128	13.8
179.07043	11.6
181.10132	14.7
183.08124	16.9
183.11659	51.5
184.12077	8.6
185.09651	17.1
185.13301	45.2
187.07486	10.5
187.11192	26.6
189.05481	9.5
189.09081	6.6
191.07101	8.2
191.10681	9.8
193.08586	7.7
193.10193	8.8
194.10774	9.1
195.11748	19.4
197.09674	16.6
197.13326	24.1
198.10503	6.8
198.13898	8.2
199.11240	38.1
200.11737	9.1
201.12837	15.5
207.11780	15.2
208.12173	9.6
209.13240	11.5
211.11127	9.1
211.14873	8.5
213.09251	15.6
213.12752	35.7
215.10739	9.3
217.12262	9.2
218.10843	9.0
219.11620	9.5
219.13690	8.1
221.13220	14.6
223.14867	7.1
225.12866	13.6
227.10857	7.7
229.10358	7.5
229.12329	21.5
230.10721	10.1
231.13840	33.7
233.13373	10.6
235.14774	14.9
237.12592	9.5
238.13408	8.9
241.12289	15.3
244.12343	13.2
245.13199	9.7
246.13937	12.6
247.11301	13.0
247.14825	14.0
248.15265	8.8
249.12737	7.9
251.14267	8.4
259.13443	28.2
261.12808	8.9
262.16815	7.8
266.16483	10.3
269.13229	7.6
271.14786	11.7
273.12823	11.4
273.16290	14.6
275.17792	11.3
285.16653	11.3
287.14276	14.4
290.16241	8.5
291.17175	12.4
297.12708	9.3
301.12360	7.1
301.15933	9.4
303.17142	13.5
313.15912	9.3
315.13638	9.3
315.17627	8.6
319.16867	9.4
330.51501	8.6
331.16913	11.7
345.18607	17.0
347.16394	9.0
349.18021	14.6
359.16461	21.4
361.17920	13.2
373.18030	27.6
377.17590	14.2
383.16376	9.6
389.17477	19.5
391.19110	38.3
395.18494	7.6
401.17514	48.8
409.20135	27.3
419.18558	100.0
422.20541	15.3
437.19592	76.9
440.21622	11.6
455.20868	20.6
458.22437	11.0
479.20706	25.1
497.21463	22.1
520.08960	7.7
565.24506	11.4
583.25372	50.4
601.26373	8.1
618.20551	13.2
618.31042	23.8
619.29364	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	617.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50898	0.2
50.64706	0.3
51.82035	0.2
53.03939	0.4
53.56210	0.3
55.05515	2.2
57.03435	0.4
57.07056	0.3
65.55265	0.3
67.05508	3.8
69.03413	0.5
69.07058	0.9
71.05003	0.5
79.05502	2.6
81.03415	0.5
81.07061	4.4
83.04987	0.7
83.08620	2.6
85.06545	1.0
91.04950	0.5
91.05481	2.7
92.05816	0.3
93.07054	2.9
95.04941	0.7
95.08621	3.3
97.06535	0.7
97.10184	0.3
98.20776	0.6
105.07026	3.6
107.08598	2.5
109.10168	1.1
117.07007	0.6
119.08575	2.2
121.10151	1.9
123.08059	0.3
123.11715	0.3
125.09651	0.5
129.07016	0.7
131.08559	1.7
133.10138	1.2
135.08064	0.5
135.11713	0.7
137.09599	0.5
141.07074	0.3
142.07755	0.4
143.08580	1.0
145.10133	1.7
147.08058	0.9
147.11771	0.6
149.09711	0.3
151.07562	0.6
155.08519	0.3
156.09158	0.3
157.10120	1.1
159.11671	1.3
163.11176	0.4
165.09134	1.0
169.10103	0.3
171.11723	0.8
175.11317	0.4
181.12242	1.0
183.11617	0.5
197.13335	0.4
203.14400	0.5
209.13257	0.4
211.14690	0.3
221.13354	0.5
221.15334	2.8
222.15730	0.4
223.14818	0.5
233.11464	0.3
242.79176	0.3
248.15088	0.3
266.60492	0.3
267.16083	0.3
283.15176	12.1
291.92001	0.3
299.20090	0.4
335.18442	0.3
335.25687	0.5
339.17871	4.6
470.65045	0.3
519.47949	0.4
599.41168	0.5
617.40259	100.0
618.40637	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.2
53.03938	2.9
55.01856	3.8
55.05498	4.7
57.07064	1.8
65.03909	1.4
67.05498	10.0
69.03416	3.2
69.07056	3.7
71.04990	1.8
79.05494	10.3
81.03416	17.5
81.07059	11.0
83.04990	5.8
85.02909	8.3
91.05475	14.4
93.07051	14.4
95.04977	17.3
95.08601	8.9
97.06540	2.5
98.20801	3.0
103.05472	50.4
105.03413	1.6
105.07041	17.5
107.04943	4.8
107.08591	12.0
109.06506	4.4
109.10155	4.3
116.06176	1.4
117.07025	7.9
119.08597	16.3
121.06519	8.8
121.10150	6.1
123.08052	3.4
127.39396	1.1
128.06224	4.3
129.06987	5.1
130.07793	1.3
131.04936	100.0
131.08559	11.2
133.06464	2.7
133.10120	9.1
135.08051	5.3
137.09612	2.8
142.07782	4.2
143.08586	11.1
144.09358	2.1
145.06496	2.9
145.10139	10.3
146.07220	1.6
147.08055	13.9
147.11694	6.4
149.05984	1.7
149.09647	3.3
151.07582	1.3
151.11122	1.5
153.06892	1.5
154.07762	1.8
155.08556	4.4
156.09348	3.3
157.10139	15.0
158.10921	2.1
159.08058	9.8
159.11717	12.0
161.09621	30.6
161.13263	1.3
163.11186	2.7
165.07024	2.2
166.07744	1.6
167.08560	3.1
167.10677	2.0
168.09325	4.5
169.10135	20.3
170.10887	3.3
171.07991	3.4
171.11702	11.4
172.08618	1.7
173.09639	10.8
173.13268	7.6
175.11191	7.2
179.08527	5.2
180.09315	4.0
181.10092	7.3
182.10843	1.8
183.11707	18.7
185.09631	5.5
185.13280	9.6
187.11174	11.0
187.14827	1.5
189.12718	3.6
192.09364	2.7
193.10173	5.6
194.10886	4.9
195.11696	8.5
197.09547	4.2
197.13260	4.4
199.11160	4.6
199.14842	2.2
201.12770	7.6
203.14288	2.8
205.10172	2.9
206.10905	2.3
207.11768	8.4
207.13644	2.0
208.12439	5.2
209.13243	10.6
210.14177	1.6
211.11139	3.3
211.14790	5.1
213.12709	4.6
215.10712	3.8
215.14308	2.1
219.11664	2.8
220.12398	1.6
221.13206	5.9
221.15372	3.1
223.11230	2.9
223.14824	13.1
225.12724	2.4
225.16270	1.3
227.10667	1.7
229.10149	1.6
231.13744	1.5
232.12453	2.6
233.13217	3.3
235.11133	1.4
235.14795	4.7
237.12727	2.2
237.16368	5.1
238.13541	6.0
241.15863	3.1
245.13301	1.8
246.10468	1.4
247.14896	2.6
249.16454	2.9
250.95271	1.2
251.14430	1.3
251.15498	1.3
251.17926	9.3
253.15933	1.8
259.11075	1.6
259.14920	1.5
261.16290	2.6
263.14383	1.8
263.17932	3.4
265.15738	1.7
267.17413	2.2
269.18991	1.7
275.14297	2.1
277.19449	2.7
279.17377	3.3
289.15891	1.7
295.16885	1.6
295.20084	1.3
301.19751	1.2
303.17334	1.5
305.18912	2.4
307.16852	4.6
307.20493	3.5
309.18457	2.9
315.17239	3.3
317.15341	2.5
319.20453	2.3
327.20892	1.5
329.18994	3.1
331.20578	4.6
333.21988	1.8
335.23575	3.2
337.21744	3.3
345.22177	30.2
347.20053	58.4
348.20459	1.6
355.20499	3.1
357.22192	1.5
363.23138	24.9
373.21597	13.1
391.22696	31.2
409.23749	8.8
557.29144	10.4
599.39520	1.5
617.35046	3.6
634.96802	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09026	1.5
53.03963	6.9
53.99662	1.3
55.01879	3.0
55.05519	9.3
57.07072	2.4
65.03923	2.1
65.32241	1.7
67.05502	14.9
69.03412	5.8
69.07061	6.1
70.66924	3.8
71.04993	2.3
79.05493	14.2
81.03061	1.4
81.03432	18.0
81.07064	13.9
83.04978	6.4
83.08611	9.2
83.90663	1.4
85.06542	1.7
91.05489	24.2
93.07051	22.7
93.68182	1.5
95.04971	20.2
95.08613	11.5
97.06543	4.8
103.05468	2.8
103.33591	1.4
105.03402	72.2
105.04520	5.0
105.07040	27.0
107.04948	7.6
107.08600	23.8
109.06525	7.8
109.10175	7.9
111.08054	2.4
113.09672	2.5
115.05450	2.3
117.07031	7.9
119.04907	2.2
119.08588	33.2
121.06500	7.7
121.10129	10.1
123.08046	6.0
123.11692	1.7
125.09615	2.6
128.06206	6.2
129.07024	8.5
130.07744	4.0
131.04947	3.9
131.08582	15.7
133.06502	4.2
133.10150	19.3
135.08049	5.2
135.11693	6.3
137.09613	2.8
139.11205	4.0
139.53249	1.3
141.06999	2.9
142.07793	8.7
143.08577	15.8
144.09369	1.7
145.06468	4.3
145.10124	17.8
147.08078	18.7
147.11665	6.3
149.09639	7.7
151.07478	1.8
153.06979	2.3
155.08556	8.9
156.09305	6.7
157.06450	1.6
157.10159	19.0
158.10809	1.9
159.08072	10.6
159.11713	9.6
159.97743	1.3
161.09621	21.1
163.11166	3.0
165.07014	6.4
165.09109	2.7
166.07729	2.0
167.08592	4.7
167.10669	2.7
168.09389	2.9
169.10132	12.7
170.10899	5.7
171.08028	4.9
171.11671	18.0
173.09618	11.8
173.13304	8.6
175.11171	9.1
179.08545	6.3
180.09352	2.8
181.10126	9.8
181.12230	4.0
182.10909	4.1
183.07851	1.5
183.11713	15.3
184.08810	1.8
185.09619	5.3
185.13260	14.6
187.11246	4.6
187.14828	6.8
189.12758	2.2
191.08511	3.2
192.09308	3.9
193.10133	9.3
194.10869	4.1
195.11739	14.8
196.12456	4.1
197.09546	2.9
197.13263	17.2
198.10376	3.5
199.11153	12.6
199.14801	3.1
201.12740	4.0
203.10648	2.2
203.14281	2.4
205.10117	4.3
206.10916	4.7
207.11760	10.7
208.12459	5.4
209.09613	1.5
209.13301	12.6
209.15102	2.3
210.13857	3.0
211.11185	4.1
211.14789	7.2
213.12788	19.0
215.14320	10.8
218.10944	2.2
219.11763	7.6
220.12378	6.0
221.13278	12.3
221.15381	4.6
223.11299	2.0
223.14845	15.8
225.12782	3.5
225.16402	5.0
227.14326	5.0
229.15965	1.3
231.11620	3.9
231.13699	1.8
233.13229	8.4
233.15297	2.5
234.13995	4.3
235.14868	12.8
236.15552	3.1
237.12872	2.1
237.16339	4.3
238.17212	2.1
239.14372	2.8
239.18034	2.4
241.12250	4.3
243.17740	1.5
245.13202	3.5
246.13995	2.3
247.14781	3.8
248.15488	2.8
249.16420	6.8
251.10838	1.6
251.14003	1.6
251.17841	7.0
253.15848	2.8
253.19475	2.4
259.14948	3.0
261.16376	3.5
263.14346	1.7
263.17911	6.6
265.19632	2.3
267.17331	1.8
271.14886	2.0
273.14957	1.5
275.17886	3.9
277.15848	2.5
277.19244	1.7
281.18985	8.0
284.15866	1.8
285.10071	2.9
285.12967	2.1
287.14240	2.4
289.19437	1.7
303.21042	1.9
307.20520	2.7
311.20007	1.8
315.17526	1.9
317.18939	20.5
327.17426	2.7
328.18292	1.7
332.21527	2.6
333.18491	2.1
342.19781	2.6
345.18228	2.1
345.22079	6.9
347.23648	14.7
357.22131	57.3
365.24542	2.1
375.23206	100.0
393.24017	2.9
417.24078	2.3
435.25241	32.0
435.30667	2.5
479.25888	3.2
599.39874	2.9
617.35748	2.1
617.43915	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	617.2961
Annotation	Neoazedarachin A
Peak:m/z	Relative Intensity
53.03942	15.5
55.01863	9.8
55.05515	32.9
57.07082	28.8
59.05001	4.1
60.85326	4.4
66.73032	4.4
67.05494	18.2
67.46790	5.0
68.99813	4.5
69.03439	12.8
69.07057	11.7
71.05007	5.4
79.05492	25.6
81.03428	10.3
81.07050	13.0
82.02927	10.1
83.04985	38.8
91.05489	47.9
93.07043	29.4
95.04987	24.9
95.08602	20.5
98.20786	10.5
103.05469	58.7
105.03398	23.2
105.04499	5.3
105.07039	48.8
107.04966	9.9
107.08572	15.8
109.02811	5.2
109.06539	18.5
109.10119	7.4
115.05456	8.5
117.06995	25.3
119.05011	6.2
119.08587	53.6
120.08885	6.3
121.06533	11.2
121.10149	11.7
123.04442	7.3
123.08049	9.5
125.05985	5.1
128.06229	16.0
129.06996	12.9
131.04932	100.0
131.08588	38.5
133.06516	24.0
133.10127	36.8
135.08049	16.6
137.05972	6.7
141.07007	8.6
142.07774	18.1
143.08585	39.6
144.09103	4.1
145.06491	20.3
145.10139	28.2
147.08034	24.0
147.11700	5.4
149.05977	16.2
149.09613	9.3
151.07484	6.4
155.08551	20.1
156.09288	12.0
157.02977	4.8
157.06500	7.0
157.10143	49.5
158.07074	4.7
159.08072	35.2
159.11678	27.8
160.12000	5.2
161.05988	28.1
161.09601	18.4
163.07545	27.6
163.11130	7.5
165.06996	10.4
167.08543	10.3
168.09328	6.2
169.06552	5.9
169.10101	31.6
170.10880	9.9
171.08043	20.5
171.11728	61.7
172.08759	9.0
172.12100	7.2
173.05988	10.7
173.09668	29.2
173.13289	12.2
175.07545	11.2
175.11192	10.5
177.05490	6.9
177.09090	16.4
179.07059	9.2
179.08563	12.7
180.09337	10.6
181.10136	15.4
182.10852	6.4
183.08090	13.6
183.11700	49.5
184.08873	8.2
184.12289	6.2
185.09683	29.5
185.13280	36.9
186.10326	5.9
187.07556	6.0
187.11162	19.0
189.05463	6.0
189.09163	12.9
189.12732	5.3
191.07037	8.4
192.09404	9.5
193.10114	13.4
195.08154	8.7
195.11667	24.7
196.12076	4.5
197.09605	22.2
197.13316	10.5
198.10402	9.5
199.11159	29.3
200.08244	5.3
200.11652	4.3
201.09113	8.0
201.12717	33.8
203.06976	6.8
203.10645	12.3
205.10310	6.9
206.10916	5.2
207.11673	19.2
209.09680	10.4
209.13275	10.0
211.11259	21.1
213.09183	10.5
213.12715	40.5
214.12967	6.1
215.10657	10.8
217.08508	7.9
217.12242	9.4
220.12553	6.8
221.13261	14.8
223.11145	12.5
223.14825	5.4
225.09200	6.8
225.12743	13.4
227.10619	9.7
229.12215	9.7
230.10861	6.5
231.11829	9.2
231.13797	11.2
232.12404	6.5
233.13275	9.2
234.13957	6.4
235.11322	6.0
235.14767	5.9
236.12202	5.2
237.12712	7.0
237.16428	5.7
239.10518	6.1
241.12254	18.5
243.11816	7.8
243.13873	9.5
244.12505	9.3
245.13162	12.6
245.15495	9.5
246.13896	10.8
247.11095	7.8
247.14827	9.1
248.11932	4.8
249.12782	6.5
251.14403	7.3
257.13202	8.0
258.14160	7.3
259.13193	11.7
261.16220	8.2
263.14267	6.9
265.15955	5.6
273.14914	18.8
275.14233	8.7
277.16022	7.2
285.16394	5.7
291.17303	5.4
300.14883	6.7
301.14624	7.8
315.17023	7.4
317.10376	6.6
317.15225	7.1
319.16891	12.8
321.18298	6.7
329.15335	7.1
331.17081	8.1
333.18488	8.4
335.16397	6.4
337.17661	10.3
343.16220	6.4
345.18384	6.3
347.16226	6.5
349.17941	7.6
359.16260	10.4
361.17859	5.8
363.19635	9.6
373.17880	9.5
375.19467	8.8
377.17215	9.9
385.17212	5.2
389.17471	9.3
391.19043	9.2
395.18033	6.0
403.19000	9.5
409.20096	11.6
411.20712	4.9
413.01578	5.0
419.18454	16.3
421.19879	12.6
423.20898	4.4
431.18604	5.0
433.20245	6.3
435.21240	5.0
437.19556	20.8
439.20859	10.4
451.20987	7.8
457.21893	7.3
479.21158	7.2
481.22000	8.4
497.21851	6.3
581.27008	10.4
599.27045	10.2
617.28497	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	617.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.7
55.01862	5.3
55.05513	69.4
67.05501	15.5
69.03435	4.8
69.07086	6.5
71.55634	8.2
79.05489	19.8
80.23531	4.1
81.03421	5.3
81.07061	18.2
83.04993	100.0
85.02876	4.6
91.05472	34.0
93.07045	19.3
95.04993	22.3
95.08611	11.0
103.05488	51.8
105.03401	10.6
105.07047	44.9
105.63495	4.2
107.04949	8.7
107.08582	13.7
108.75278	4.6
109.06504	10.7
109.10156	5.5
115.05485	5.8
116.27704	4.6
117.07063	10.7
119.04958	13.7
119.08582	37.6
121.06498	14.7
121.10162	12.2
123.08049	6.3
125.06038	6.4
128.06288	8.0
129.07011	16.4
131.04945	91.4
131.08565	27.9
133.06477	15.5
133.10210	23.4
135.08073	10.1
141.07007	7.8
142.07811	13.1
143.08572	25.1
145.06488	10.8
145.10161	24.4
147.08051	24.2
149.09666	10.5
153.05522	8.1
153.06895	5.2
155.08589	14.4
156.09367	14.2
157.06557	8.2
157.10152	31.3
158.10739	5.2
159.08076	14.8
159.11690	17.8
161.05971	14.2
161.09648	20.3
163.07571	9.6
163.11180	5.3
166.07761	5.8
167.08601	10.7
169.06480	7.5
169.10162	18.3
170.10884	9.4
171.08060	5.6
171.11717	36.1
172.08798	6.3
173.09660	26.0
173.13216	9.0
175.07591	9.3
175.11079	10.1
177.05418	5.3
177.09074	6.9
179.07082	6.2
179.08513	8.3
180.09309	5.8
181.10135	18.6
183.08092	8.4
183.11665	24.6
184.08864	9.2
185.09639	14.7
185.13292	15.4
186.10324	5.3
187.11180	18.0
189.09149	11.1
193.10197	18.4
193.18295	4.9
195.11737	17.0
197.09608	15.8
197.13324	14.4
199.11197	36.2
201.12808	9.2
206.10901	7.4
207.11703	17.1
209.09720	8.3
209.13362	5.4
211.11189	12.6
212.33330	5.3
213.09160	8.3
213.12712	27.5
215.10608	9.6
219.11758	11.3
220.12439	6.4
221.13196	9.5
223.11165	11.8
223.14839	6.5
225.12700	8.8
227.10684	6.5
229.12355	4.7
230.10884	6.1
231.11751	11.7
231.13890	7.9
232.12558	6.0
233.13216	17.3
234.14014	6.9
235.14911	7.8
237.12833	7.2
239.10674	4.8
243.11829	8.2
243.13933	7.8
244.12503	8.6
245.09628	5.3
245.13251	15.4
246.10820	4.3
246.13806	10.9
247.11307	7.7
247.14883	12.5
249.16425	8.6
251.14348	8.6
256.12524	5.5
257.08063	7.1
259.14981	13.2
260.15619	5.4
261.16260	14.4
263.14264	6.2
265.15833	6.0
271.10971	4.6
271.14951	5.3
272.11423	5.0
272.15591	5.1
273.12372	7.2
275.18036	13.5
276.15216	4.4
277.16006	5.2
285.16412	5.5
287.11014	5.0
287.14270	5.7
287.17996	10.4
289.15686	10.8
293.19080	8.3
300.15155	5.4
301.15988	8.5
303.17532	12.2
304.18198	4.8
305.18988	12.6
315.17444	5.7
319.16840	6.2
321.18674	7.9
323.19836	5.6
331.16928	10.7
333.18585	11.4
335.20108	6.4
343.16727	6.5
345.18640	7.2
347.16568	6.2
349.21613	6.0
357.18475	10.4
361.17917	7.5
365.21231	6.7
365.67847	4.8
373.17902	9.0
375.19644	16.5
377.17361	9.4
385.18207	7.9
391.18829	10.2
393.20575	18.0
395.18082	6.4
395.22632	7.3
403.19177	29.5
409.19897	5.8
411.21893	9.7
421.20120	51.3
439.21136	38.7
457.22086	17.6
463.21231	6.2
469.22577	8.5
481.22812	8.7
498.88080	5.3
499.23111	14.5
521.24945	5.3
581.27435	9.5
599.28339	13.0
617.30383	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	617.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09124	2.9
53.03943	9.8
55.01874	16.4
55.05510	69.1
57.03422	3.8
57.92850	3.1
65.03944	5.2
67.05512	18.1
67.66590	2.9
69.03430	17.3
69.07056	12.4
70.06586	4.5
71.01354	3.7
71.04993	34.3
71.55974	4.7
74.06088	3.6
79.05491	36.6
81.03434	17.7
81.07051	35.5
83.04980	100.0
85.02897	14.4
86.06070	11.2
91.05486	42.5
93.07039	42.1
95.04977	42.1
95.08600	23.9
97.02892	7.4
97.06535	16.2
99.04462	18.9
99.32878	2.9
100.07604	4.0
103.05473	7.4
105.01868	2.9
105.03390	6.0
105.04462	3.3
105.06381	5.4
105.07033	64.7
107.04957	17.3
107.08594	28.5
109.02881	8.7
109.06512	27.4
109.10145	8.0
111.04442	10.6
111.08049	4.6
113.05982	5.1
115.05444	12.6
116.06230	3.3
117.07026	26.5
119.04940	11.2
119.08571	67.3
121.02900	4.4
121.06501	21.8
121.10148	15.6
123.04426	14.3
123.08080	13.7
125.05979	9.0
125.09652	5.6
127.03910	6.1
128.06184	16.6
129.06999	25.3
130.07809	7.2
131.04930	8.8
131.08548	44.6
133.06487	28.5
133.10123	33.2
135.04422	12.1
135.08037	22.1
135.11638	4.7
137.02324	5.0
137.05971	17.5
137.09592	6.8
139.03911	12.0
139.07619	4.4
141.06963	12.2
142.07768	21.6
143.08566	40.9
144.06525	7.3
145.06468	26.0
145.10124	35.9
146.07210	3.9
147.04428	8.0
147.08044	32.0
147.11710	9.4
149.05988	11.1
149.09621	12.6
150.09145	3.1
151.07542	9.7
152.06145	3.9
153.05524	7.7
153.06903	7.6
154.07800	6.6
155.08569	25.6
156.09326	20.9
157.06491	7.3
157.10120	52.1
158.07211	8.6
158.10997	3.1
159.08067	39.5
159.11652	18.6
161.05977	34.1
161.09608	28.3
163.07573	11.3
163.11246	4.3
165.05487	8.2
165.06996	17.8
165.09120	10.2
166.07712	7.6
167.07153	5.7
167.08542	15.9
168.09319	8.4
169.06476	7.1
169.10089	32.2
170.10880	7.6
171.08084	19.3
171.11678	43.7
172.08795	8.7
173.05986	6.9
173.09608	33.7
173.13261	16.5
175.07500	11.2
175.11177	11.8
177.05498	9.8
177.09119	7.8
178.07761	8.1
179.07040	13.7
179.08560	15.0
180.09366	5.5
181.10063	27.3
182.07190	4.5
182.10899	6.3
183.08162	15.2
183.11688	39.3
184.08858	9.0
185.05986	8.6
185.09612	29.0
185.13243	13.4
186.10284	5.9
187.07542	14.9
187.11188	18.3
188.54688	3.6
189.05496	5.8
189.09129	18.5
189.12665	7.4
191.06995	5.0
191.08635	3.2
191.10716	4.7
192.09273	11.3
193.10185	22.2
194.10896	7.8
195.06526	6.9
195.08156	7.5
195.11673	17.5
196.08859	4.7
197.09624	25.2
197.13243	14.5
198.10419	5.3
199.07526	11.5
199.11208	49.9
200.11897	9.0
201.09085	6.7
201.12717	19.1
203.08649	6.8
203.10599	6.5
204.09486	4.3
205.08539	7.7
205.10173	8.5
206.07327	3.1
206.10962	9.3
207.08263	5.0
207.11758	26.4
208.08913	4.9
208.12454	8.7
209.09682	19.7
209.13313	15.9
210.10471	3.9
211.07555	6.1
211.11168	21.6
211.14771	6.0
213.05470	5.2
213.09090	13.7
213.12746	24.7
215.06879	4.3
215.08725	8.0
215.10719	12.2
215.14195	4.5
216.09383	6.7
217.08533	13.5
217.10185	11.0
217.12062	5.6
218.10939	6.9
219.08101	7.3
219.11699	13.6
220.12465	8.9
221.09776	7.6
221.13307	19.9
222.10448	5.7
222.13960	4.6
223.07509	7.5
223.11226	21.9
223.14803	7.5
224.12039	5.5
225.09174	16.9
225.12785	18.3
227.07014	5.3
227.10643	36.3
227.14240	5.2
229.10223	6.1
229.12108	6.3
230.10832	7.2
231.08209	4.5
231.11652	14.2
231.13737	5.9
232.12393	9.7
233.09610	9.2
233.13242	10.6
234.10373	5.7
234.13953	5.7
235.07518	4.9
235.11172	12.0
235.14850	10.0
236.12057	3.4
237.12747	14.0
237.16304	4.1
239.10652	11.5
239.14198	7.5
241.12267	9.5
243.11862	7.0
243.13834	6.9
244.12425	11.0
245.07953	24.5
245.13414	10.3
246.10396	5.3
246.14041	9.5
247.11116	12.2
247.14853	17.8
248.11926	7.8
248.15651	5.2
249.08990	4.8
249.12846	10.6
249.16533	5.8
251.14293	9.4
253.12311	7.5
255.13919	7.4
257.13351	5.5
258.10471	3.7
258.14066	10.6
259.11157	6.6
259.13217	3.7
259.15134	7.2
260.11938	4.2
260.15588	4.8
261.12750	12.8
261.16492	17.7
263.10565	6.0
263.14359	10.5
263.17923	3.8
265.12375	7.9
265.15848	10.5
267.13968	4.7
269.13092	3.9
270.14230	4.9
271.10983	4.2
271.14865	9.1
272.15662	5.4
273.12750	8.2
273.16263	6.9
274.13425	5.0
275.10468	5.7
275.14288	10.1
275.17929	11.0
277.15833	9.1
277.19586	3.7
279.17484	6.6
283.10855	4.6
283.13596	5.6
285.12317	10.2
285.16013	5.3
286.13397	5.6
287.12616	17.9
287.18008	9.6
289.12189	4.5
289.15732	15.4
291.13950	4.3
291.17328	10.0
293.12000	3.9
293.15424	4.6
293.18994	8.2
299.14017	4.7
300.14853	4.3
301.15820	6.1
303.12448	5.6
303.17337	10.6
304.18182	12.4
305.13962	14.1
305.18912	10.9
307.13425	5.1
307.16931	6.6
311.12823	5.6
315.13605	5.6
315.17310	8.9
317.15207	5.8
319.13254	5.6
319.16891	13.3
321.15015	6.2
321.18472	14.3
322.19342	4.4
323.20050	8.0
325.14194	4.7
329.15280	9.6
329.19025	5.0
331.16888	7.9
333.14764	6.2
333.18399	10.9
335.16446	8.3
337.18204	7.0
339.19760	5.6
343.15985	15.3
345.14752	5.8
345.18542	7.7
347.16299	7.6
347.20157	6.4
349.18015	11.1
351.19577	4.3
357.18378	7.8
359.16049	5.1
361.18045	20.6
362.18716	5.1
363.15714	5.9
363.19720	4.1
369.14728	4.4
373.18045	6.2
375.19443	8.2
377.17419	14.8
379.18942	14.7
385.17462	5.3
387.15723	10.0
389.17282	4.5
393.20679	7.5
397.20212	5.5
399.21564	4.3
401.15939	20.7
402.17004	4.8
403.17795	55.6
405.16730	9.4
409.20047	11.0
411.21619	7.0
415.15482	6.2
419.17847	4.6
421.19922	44.8
423.17914	6.8
429.17020	4.4
433.16409	6.2
437.19568	9.7
439.21182	54.5
447.17868	5.5
451.17285	6.8
457.22934	21.7
463.21405	3.9
465.19257	20.1
479.20410	4.0
481.22412	5.6
483.20004	17.2
495.23544	12.6
499.23193	18.0
517.24384	7.2
539.26453	4.8
563.22675	7.9
569.23480	10.1
581.23492	25.5
599.24548	29.0
617.26038	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	617.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.7
55.01862	5.3
55.05513	69.4
67.05501	15.5
69.03435	4.8
69.07086	6.5
71.55634	8.2
79.05489	19.8
80.23531	4.1
81.03421	5.3
81.07061	18.2
83.04993	100.0
85.02876	4.6
91.05472	34.0
93.07045	19.3
95.04993	22.3
95.08611	11.0
103.05488	51.8
105.03401	10.6
105.07047	44.9
105.63495	4.2
107.04949	8.7
107.08582	13.7
108.75278	4.6
109.06504	10.7
109.10156	5.5
115.05485	5.8
116.27704	4.6
117.07063	10.7
119.04958	13.7
119.08582	37.6
121.06498	14.7
121.10162	12.2
123.08049	6.3
125.06038	6.4
128.06288	8.0
129.07011	16.4
131.04945	91.4
131.08565	27.9
133.06477	15.5
133.10210	23.4
135.08073	10.1
141.07007	7.8
142.07811	13.1
143.08572	25.1
145.06488	10.8
145.10161	24.4
147.08051	24.2
149.09666	10.5
153.05522	8.1
153.06895	5.2
155.08589	14.4
156.09367	14.2
157.06557	8.2
157.10152	31.3
158.10739	5.2
159.08076	14.8
159.11690	17.8
161.05971	14.2
161.09648	20.3
163.07571	9.6
163.11180	5.3
166.07761	5.8
167.08601	10.7
169.06480	7.5
169.10162	18.3
170.10884	9.4
171.08060	5.6
171.11717	36.1
172.08798	6.3
173.09660	26.0
173.13216	9.0
175.07591	9.3
175.11079	10.1
177.05418	5.3
177.09074	6.9
179.07082	6.2
179.08513	8.3
180.09309	5.8
181.10135	18.6
183.08092	8.4
183.11665	24.6
184.08864	9.2
185.09639	14.7
185.13292	15.4
186.10324	5.3
187.11180	18.0
189.09149	11.1
193.10197	18.4
193.18295	4.9
195.11737	17.0
197.09608	15.8
197.13324	14.4
199.11197	36.2
201.12808	9.2
206.10901	7.4
207.11703	17.1
209.09720	8.3
209.13362	5.4
211.11189	12.6
212.33330	5.3
213.09160	8.3
213.12712	27.5
215.10608	9.6
219.11758	11.3
220.12439	6.4
221.13196	9.5
223.11165	11.8
223.14839	6.5
225.12700	8.8
227.10684	6.5
229.12355	4.7
230.10884	6.1
231.11751	11.7
231.13890	7.9
232.12558	6.0
233.13216	17.3
234.14014	6.9
235.14911	7.8
237.12833	7.2
239.10674	4.8
243.11829	8.2
243.13933	7.8
244.12503	8.6
245.09628	5.3
245.13251	15.4
246.10820	4.3
246.13806	10.9
247.11307	7.7
247.14883	12.5
249.16425	8.6
251.14348	8.6
256.12524	5.5
257.08063	7.1
259.14981	13.2
260.15619	5.4
261.16260	14.4
263.14264	6.2
265.15833	6.0
271.10971	4.6
271.14951	5.3
272.11423	5.0
272.15591	5.1
273.12372	7.2
275.18036	13.5
276.15216	4.4
277.16006	5.2
285.16412	5.5
287.11014	5.0
287.14270	5.7
287.17996	10.4
289.15686	10.8
293.19080	8.3
300.15155	5.4
301.15988	8.5
303.17532	12.2
304.18198	4.8
305.18988	12.6
315.17444	5.7
319.16840	6.2
321.18674	7.9
323.19836	5.6
331.16928	10.7
333.18585	11.4
335.20108	6.4
343.16727	6.5
345.18640	7.2
347.16568	6.2
349.21613	6.0
357.18475	10.4
361.17917	7.5
365.21231	6.7
365.67847	4.8
373.17902	9.0
375.19644	16.5
377.17361	9.4
385.18207	7.9
391.18829	10.2
393.20575	18.0
395.18082	6.4
395.22632	7.3
403.19177	29.5
409.19897	5.8
411.21893	9.7
421.20120	51.3
439.21136	38.7
457.22086	17.6
463.21231	6.2
469.22577	8.5
481.22812	8.7
498.88080	5.3
499.23111	14.5
521.24945	5.3
581.27435	9.5
599.28339	13.0
617.30383	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	617.2956
Annotation	Neoazedarachin A
Peak:m/z	Relative Intensity
53.03944	8.1
55.01858	4.2
55.05265	4.1
55.05516	61.2
57.07676	3.0
63.66836	3.1
65.03945	5.1
67.05506	8.6
69.03421	6.7
69.07064	10.8
79.05499	17.4
81.03413	5.1
81.07079	16.3
83.04989	97.6
85.02850	3.3
91.05483	23.1
93.07050	26.6
95.04964	15.9
95.08607	12.9
97.06531	11.8
103.05502	34.0
105.03384	14.7
105.07041	38.6
107.04987	4.6
107.08597	22.0
109.06501	11.3
109.10178	7.7
111.04472	4.1
115.05421	5.7
117.07019	15.6
119.04923	3.7
119.08585	45.9
121.06503	6.6
121.10168	14.0
123.04443	5.8
123.08095	6.9
128.06213	9.4
129.06999	14.3
131.04935	52.5
131.08583	20.5
133.06519	16.7
133.10144	24.9
135.08060	13.7
135.11545	3.4
137.09636	4.6
141.06987	6.8
142.07803	7.2
143.08612	20.3
145.06470	6.1
145.10164	25.6
147.08017	25.6
147.11694	8.1
149.09587	13.5
153.06966	4.5
155.08536	10.1
156.09331	13.8
157.10159	37.5
159.08067	17.5
159.11665	19.6
161.05980	14.5
161.09612	21.8
163.11115	4.1
165.09146	11.6
167.08539	11.1
169.05011	18.8
169.10152	19.9
170.10959	9.3
171.08049	11.0
171.11696	37.7
172.08839	4.4
173.06041	3.8
173.09660	18.2
173.13251	10.3
175.07597	6.2
175.11172	6.7
177.08977	4.5
179.07065	6.9
179.08481	7.9
180.09322	4.4
180.63863	3.8
181.10139	17.0
183.08107	9.3
183.11693	29.7
184.08862	5.0
185.09605	13.6
185.13289	16.7
187.07524	4.7
187.11195	13.8
187.14798	3.8
189.09206	4.3
189.12749	7.1
192.09283	6.7
193.08632	4.5
193.10109	20.4
194.10971	7.3
195.08154	4.9
195.11769	22.3
196.12431	4.4
197.09621	13.0
197.13286	26.7
198.10356	8.3
199.07388	4.1
199.11169	27.5
201.12720	15.2
204.09357	4.4
205.10164	5.6
206.11018	6.5
207.11740	20.9
208.12494	6.4
209.09564	8.8
209.13229	15.6
211.11209	12.7
213.12749	43.4
215.08638	3.6
215.10771	5.6
215.14299	10.8
217.10274	6.2
217.12144	5.7
218.10892	6.9
219.11743	11.5
220.12390	6.4
221.13345	20.2
222.13951	4.2
223.11230	14.9
223.14803	8.8
224.11993	4.1
225.12776	8.2
229.10081	5.0
229.12189	6.6
230.10873	4.2
231.11754	8.4
231.13823	5.9
232.12511	9.3
233.13351	17.7
233.15276	3.8
234.10320	4.3
234.14137	4.2
235.11304	6.0
235.14827	23.5
237.12762	11.3
237.16383	11.3
239.14355	10.4
243.11702	8.6
243.13882	5.9
244.12418	6.0
245.13278	13.7
245.15491	6.2
246.14098	10.7
247.11200	8.5
247.14807	23.7
248.12013	5.8
249.12697	13.3
249.16386	8.5
251.14351	10.2
256.12604	4.7
257.13208	9.5
258.13947	7.1
259.11154	4.5
259.14899	10.7
260.15405	5.2
261.12756	8.3
261.16394	14.6
263.14502	16.5
263.17929	5.3
265.15881	19.6
270.13962	4.9
271.14880	9.5
272.11957	5.2
272.15536	6.6
273.12549	5.1
273.16641	7.0
275.14212	9.6
275.17957	11.8
277.15866	4.8
279.13983	4.5
281.15466	4.6
283.17169	7.1
285.16461	8.2
287.14383	8.1
287.17838	7.6
289.15912	10.1
291.17545	11.1
293.18921	6.8
299.14444	5.8
300.15143	5.3
301.15805	12.7
303.14172	5.2
303.17398	14.5
305.15277	4.3
307.16690	3.9
315.14011	4.0
315.17542	8.6
317.15500	6.1
317.18976	5.7
319.17017	8.8
321.18506	8.0
329.18884	7.7
331.16812	5.0
333.18591	8.0
337.14359	4.3
341.19141	4.1
343.16815	7.7
345.14676	4.2
345.18515	7.3
347.20038	11.8
349.17966	4.8
357.18454	13.1
359.20160	7.3
361.17908	15.2
362.18222	4.3
363.15723	9.0
363.19626	7.9
365.21613	4.8
373.17905	5.9
375.19458	13.7
377.17133	4.8
379.19189	7.0
379.26291	7.8
380.50958	3.7
381.16833	11.7
381.20941	6.3
383.22168	4.8
385.17975	11.8
391.18839	12.1
393.20587	21.0
397.20108	6.7
397.27380	8.7
403.19086	33.6
409.20135	12.0
411.21753	12.4
421.20135	87.0
421.25754	2.8
435.21506	5.0
439.21173	100.0
457.22107	54.6
457.29129	10.8
481.22183	12.4
499.23190	33.6
517.24762	3.9
521.24774	4.6
599.28375	24.5
606.34418	3.9
617.28729	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	617.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.9
54.40560	4.7
55.01872	14.4
55.05515	79.6
62.86343	5.1
67.05499	19.5
69.03426	15.3
69.07074	8.5
71.55859	6.1
75.90209	4.3
79.05494	22.9
81.03418	13.7
81.07065	19.7
81.46458	5.0
83.04988	92.3
85.02912	7.7
91.05485	46.5
93.07058	26.3
95.04976	52.2
95.08615	16.0
103.05457	56.4
105.03387	13.9
105.07034	63.1
107.04984	14.2
107.08633	26.0
109.02876	7.4
109.06538	15.3
109.10140	6.9
115.05454	12.1
117.07009	22.5
119.04967	6.6
119.08604	50.2
121.02898	5.2
121.06519	19.1
121.10176	9.3
123.04440	8.2
123.08054	6.5
128.06201	13.6
129.07019	21.9
130.07767	5.1
131.04935	100.0
131.08589	28.5
133.06543	29.2
133.10129	18.0
135.08080	19.0
137.05930	10.2
141.06985	12.7
142.07776	20.2
143.08592	36.3
145.06476	22.4
145.10196	25.1
147.04405	5.6
147.08075	36.1
149.05920	9.4
149.09648	23.7
153.07021	7.6
154.07561	6.2
155.08578	25.5
156.09338	20.0
157.06522	5.8
157.10101	40.9
158.07324	6.3
159.08047	23.4
159.11713	39.9
161.05974	37.6
161.09627	30.2
161.13261	5.1
163.07597	29.6
165.06979	5.8
167.08591	12.7
169.10141	25.1
170.07318	6.0
170.10924	10.9
171.08073	19.4
171.11685	47.0
172.08829	12.0
173.06024	14.6
173.09660	27.8
173.13289	15.9
175.07578	19.5
175.11151	7.1
177.09065	16.2
179.07051	10.9
179.08586	14.5
180.09395	10.6
181.10127	17.0
183.08073	12.0
183.11739	61.5
184.12076	6.2
184.61235	5.2
185.09682	25.7
185.13266	22.4
187.07562	12.9
187.11223	18.0
189.05463	9.8
189.09048	5.2
191.07040	9.6
192.09372	6.5
193.10207	14.2
195.11716	13.3
197.09610	23.8
197.13211	12.1
198.10353	9.0
199.07532	18.7
199.11192	37.6
201.09213	9.0
201.12764	11.9
203.10649	4.9
205.10249	7.7
206.10983	6.1
207.11812	10.2
208.12465	8.4
209.09552	10.7
209.13300	14.0
211.11166	17.6
213.09091	15.8
213.12709	31.2
214.13170	6.5
215.08708	8.2
215.10753	15.2
217.08443	10.0
217.12210	9.9
218.11028	6.3
219.11758	12.2
220.12477	6.6
221.09731	8.2
221.13223	13.9
222.21707	5.3
223.11212	8.4
224.11908	5.8
225.05525	6.8
225.09154	15.7
225.12701	11.7
226.67659	5.0
227.10555	6.3
227.96487	5.5
229.12244	12.1
231.11760	12.2
231.13843	9.0
233.13318	15.1
234.13731	5.4
235.14786	12.4
237.09232	6.6
237.12776	12.2
239.10715	11.5
241.08591	12.4
241.12326	8.7
243.13823	16.3
244.12354	8.6
245.13319	7.3
245.15451	10.9
246.14072	7.2
247.11290	7.7
247.14867	13.5
249.12738	10.4
250.13651	6.3
257.08066	51.2
257.13232	8.0
258.14102	10.2
259.09424	23.4
259.15009	7.5
261.12695	6.6
261.16562	13.0
263.14191	12.9
265.12125	6.7
265.15829	7.6
271.14859	5.3
272.11871	6.4
273.16519	10.5
274.16891	6.3
275.17807	6.3
279.13571	5.7
279.17557	7.1
285.11420	6.8
299.14090	6.6
301.10590	35.8
303.12347	9.7
303.17371	13.2
305.18866	6.2
313.15561	6.9
315.13538	7.1
319.16931	5.4
321.18530	10.9
322.19202	7.0
323.20331	6.9
329.15561	6.7
331.16742	12.2
345.18335	16.5
347.20227	6.9
349.17844	11.1
359.16394	7.8
361.17844	12.4
363.19592	11.9
373.18063	10.6
377.17148	7.3
379.19070	12.0
391.18964	15.9
393.20547	9.8
401.16125	17.2
403.18951	15.8
405.20721	11.1
409.20132	9.1
419.18494	6.3
421.20053	19.8
423.21933	8.4
433.20435	8.0
439.21060	20.8
445.16623	8.7
451.21857	9.9
457.22272	6.2
463.17484	20.3
469.22403	10.8
481.18451	16.4
539.55981	5.6
563.22595	8.6
573.35431	9.4
581.23718	12.1
599.25330	11.3
617.25665	6.8
617.35956	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	6.4
53.03947	18.4
55.01881	25.4
55.05523	34.2
57.03449	6.8
63.31480	4.3
65.03943	5.4
67.05507	22.9
69.03444	11.5
69.07056	8.2
70.45924	7.7
71.04997	46.4
79.05503	35.8
80.30315	4.7
81.03426	27.4
81.07066	25.1
83.04993	58.5
85.02907	9.2
86.06074	10.0
91.05486	60.8
93.07052	43.8
95.01351	7.9
95.04981	40.4
95.08611	21.7
97.06547	9.5
99.04456	34.3
100.11277	5.2
103.05465	16.9
105.07038	71.8
106.47975	4.9
107.04972	19.6
107.08598	19.6
109.02885	11.0
109.06537	32.9
111.04449	10.1
113.26336	4.2
115.05460	18.8
116.06277	5.9
117.07000	25.0
119.04928	15.6
119.08586	58.3
121.02938	11.1
121.06535	34.6
121.10125	9.3
123.04475	11.4
123.08080	11.2
125.05994	13.5
128.06219	25.3
129.07004	36.3
130.07840	4.9
131.04930	14.6
131.08586	48.5
133.06505	38.5
133.10161	16.6
135.04393	11.4
135.08076	20.9
137.02409	6.8
137.06009	25.5
139.03899	14.9
141.07007	13.6
142.07814	15.3
143.08571	57.0
144.09412	5.4
145.06509	33.3
145.10146	31.5
147.04428	8.4
147.08041	31.3
147.11748	7.2
149.06009	22.6
149.09648	17.9
151.07596	11.3
153.05492	17.4
153.06975	6.5
154.07817	6.7
155.08572	27.9
156.09363	19.7
157.06517	14.1
157.10109	36.6
158.07262	9.9
159.08070	53.7
159.11717	14.1
161.06006	49.8
161.09657	32.3
163.07562	15.5
163.11142	5.4
165.05482	12.3
165.07021	14.5
166.07794	10.4
167.07147	10.1
167.08620	17.1
168.09398	10.1
169.06482	6.4
169.10120	33.7
170.10953	5.8
171.08054	31.6
171.11688	38.9
172.08821	6.9
173.06073	10.9
173.09634	32.6
173.13281	17.5
175.07562	18.1
175.11180	8.1
177.05489	11.9
177.09184	10.9
178.07867	5.8
179.07034	23.9
179.08636	15.0
180.09232	4.2
181.04956	7.3
181.06480	6.5
181.10080	22.0
182.10980	6.2
183.08092	19.7
183.11703	25.7
184.08871	11.8
185.06020	18.6
185.09631	28.2
185.13272	17.1
186.10435	6.9
187.07573	17.4
187.11206	19.2
189.05618	6.3
189.09137	20.6
189.12727	6.1
191.07030	6.9
191.08615	6.3
192.09384	9.8
193.08571	9.6
193.10178	19.1
195.06538	17.5
195.08136	10.4
195.11748	18.3
196.08865	7.3
197.05841	6.5
197.09650	33.4
197.13301	15.0
198.10472	8.2
199.07588	21.8
199.11208	63.6
200.11996	7.4
201.05508	5.3
201.09190	13.4
201.12775	34.2
202.07874	5.2
203.07005	8.4
205.08629	16.0
205.10300	8.1
206.10941	8.7
207.06511	6.8
207.11755	19.8
209.09608	20.3
209.13229	12.1
210.10390	9.5
211.07574	8.5
211.11229	20.6
213.05518	5.7
213.09157	25.0
213.12766	12.2
215.08775	5.9
215.10727	14.1
215.14268	5.0
216.09515	5.8
217.08502	27.2
217.10397	8.8
217.12227	8.0
219.08104	7.1
219.11833	6.4
220.12659	5.0
221.09683	10.6
221.13306	9.5
223.07471	7.5
223.11241	14.7
223.14848	6.9
225.09187	18.2
225.12695	14.0
227.07133	6.0
227.10686	61.6
229.10306	7.1
229.12206	8.7
230.10887	7.2
231.11879	9.3
232.12523	6.9
233.09616	10.2
233.13280	13.6
234.14011	5.1
235.09656	20.8
235.11594	6.6
235.14792	9.4
237.09204	6.6
237.12770	10.7
238.13612	5.4
239.10698	14.5
239.14302	7.8
241.08592	6.8
241.12262	15.7
243.09956	8.8
244.12436	5.9
245.08083	60.1
245.11774	14.7
246.14044	10.8
247.11266	9.5
247.14877	11.7
248.12085	7.0
249.11028	11.1
249.13133	7.2
251.10757	11.7
251.14264	10.1
255.10083	9.4
255.13857	7.5
257.08124	7.8
257.11621	5.7
261.12839	9.3
261.16327	8.5
263.14243	10.1
265.12228	6.1
269.11539	5.3
273.13000	5.7
275.17969	6.3
277.14532	6.0
279.10281	6.6
279.17642	4.7
281.11722	9.4
285.11621	7.9
285.16147	5.0
286.13483	6.2
287.12622	33.9
287.17947	10.1
289.16122	8.6
293.11841	6.0
293.15372	5.3
295.13245	5.3
303.12457	5.9
303.17502	8.1
305.13962	20.8
305.18982	8.5
307.13193	7.1
307.16724	5.2
309.11142	4.9
315.13498	6.8
317.15424	6.4
319.16928	7.5
321.14908	7.4
321.18433	6.5
327.13248	5.9
329.15390	6.1
331.16937	15.6
333.14481	6.2
335.16348	7.0
343.15369	22.1
345.15054	7.9
347.16235	11.0
349.18030	7.4
357.14917	7.2
359.16220	15.0
361.17984	10.8
363.15591	6.1
369.14780	7.6
375.15594	6.2
375.19882	7.6
377.17413	14.5
379.19144	16.8
385.16446	7.3
387.15817	12.7
393.20572	8.5
399.21783	6.4
401.15976	34.2
403.17612	100.0
405.17010	18.6
415.15723	8.3
419.17581	16.3
421.19455	43.3
423.17926	20.3
433.16345	17.3
437.19531	7.1
439.21808	25.0
447.17975	21.7
451.17477	7.2
457.18188	7.1
465.19162	33.6
477.22443	10.7
483.20215	31.0
495.23730	39.2
499.23328	8.9
539.23169	5.8
545.21881	8.3
563.22662	34.4
569.23981	21.7
581.23846	56.8
599.25012	52.0
617.26324	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	617.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.5
53.88344	3.1
55.01865	12.1
55.05506	15.9
57.03442	4.5
65.03951	3.1
67.05504	13.0
69.03425	4.8
79.05484	19.8
80.10098	3.7
81.03415	10.8
81.07062	10.3
83.04980	27.7
91.05468	26.5
93.07045	18.8
95.01333	3.6
95.04977	20.9
95.08594	12.2
103.05475	23.1
105.03393	12.3
105.07041	48.0
107.04963	9.2
107.08595	10.2
109.06523	14.5
109.07201	3.4
109.10160	4.7
115.05468	11.8
116.02248	3.3
117.07022	16.3
119.04957	8.5
119.08596	19.1
121.02885	5.5
121.06515	12.5
121.10193	4.6
123.04427	5.2
123.08081	8.2
125.05944	4.1
128.06233	14.8
129.07011	16.8
131.04936	42.9
131.08563	28.2
133.06496	36.1
133.10133	11.5
135.04373	6.4
135.08058	14.7
137.06003	10.1
139.03906	4.6
141.07005	9.7
142.07800	13.7
143.08574	27.0
145.06487	20.5
145.10101	18.0
147.08017	17.2
149.05939	7.5
149.09630	5.7
151.07545	7.8
153.06958	5.1
154.07771	6.1
155.08557	11.9
156.09352	13.7
157.06526	11.1
157.10147	23.3
159.04449	4.1
159.08015	19.8
159.11589	7.7
160.94145	3.1
161.05977	49.8
161.09627	14.8
163.07578	16.8
165.05679	3.4
165.07042	10.2
167.08582	6.0
168.09384	6.9
169.06485	8.8
169.10164	14.7
170.10873	5.8
171.08009	20.5
171.11700	27.2
172.08815	5.0
173.06044	4.9
173.09612	15.4
173.13312	12.1
175.07600	6.5
175.11133	4.9
177.05510	4.8
179.07040	15.5
179.08507	6.8
181.06381	4.0
181.10149	12.0
183.08113	8.4
183.11667	13.3
184.08891	10.0
185.05945	4.4
185.09564	16.7
185.13275	4.1
187.07539	10.7
187.11139	11.6
187.14824	3.4
189.09117	9.6
193.10185	8.6
195.08138	8.5
195.11690	10.7
197.09622	15.6
197.13268	8.3
198.10509	4.7
199.07538	14.3
199.11179	38.8
200.11966	9.4
201.09048	8.5
201.12756	33.2
203.07016	4.5
207.11696	5.7
209.09621	12.9
209.13222	4.3
211.11179	15.1
213.05452	15.5
213.09084	13.1
213.12746	13.2
214.09999	3.6
215.10674	5.6
215.14218	3.6
217.08566	11.5
217.12228	5.9
221.13174	4.7
223.11234	8.8
225.09055	15.9
225.12738	6.0
227.10669	38.8
229.12277	4.5
230.05829	8.5
230.10837	4.7
233.13234	8.7
236.11945	5.1
237.09108	5.5
237.12723	4.9
241.12173	5.1
243.09824	4.5
243.13853	4.9
245.08081	95.6
245.11707	6.8
246.10397	4.4
247.11272	5.6
247.14865	8.0
251.10727	4.9
253.12265	3.7
255.10165	5.6
257.11826	4.5
259.13397	5.2
261.16522	3.5
263.10648	4.5
263.14401	6.4
265.15854	6.6
277.15710	4.0
285.11517	5.4
287.12805	54.6
287.17560	4.3
289.11984	7.0
303.12381	5.2
319.15607	15.0
329.14078	11.6
331.16782	6.6
341.15421	4.0
343.16760	5.6
347.16464	4.0
357.13559	5.8
359.16238	10.8
359.66269	4.0
361.17984	5.3
363.15720	7.1
371.16504	3.0
379.19141	3.8
387.14459	23.9
388.15213	10.3
389.15967	100.0
393.20828	5.3
403.18964	8.9
405.16327	9.9
419.18582	7.3
421.20065	19.3
437.19604	5.1
439.21115	19.9
447.17929	22.5
453.18747	4.5
457.22110	13.8
465.19205	21.5
481.22150	15.3
483.20197	8.8
499.22955	6.1
507.20096	26.1
521.21619	6.2
549.21063	31.5
555.22260	15.3
567.22162	39.9
585.23035	9.3
617.31873	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	617.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.01860	9.6
55.05516	13.4
60.03233	2.5
65.03932	2.6
67.05499	10.3
69.03436	7.4
69.07077	5.0
71.05003	18.1
71.55646	2.6
79.05492	16.5
81.03413	7.3
81.07063	14.8
83.05005	21.0
85.02887	2.9
91.05488	26.8
93.07068	16.0
95.04962	15.6
95.08616	10.0
97.06548	3.4
99.04454	11.4
103.05472	53.1
105.03404	12.8
105.04538	2.2
105.07040	35.6
107.04967	10.4
107.08594	9.8
108.05696	2.2
109.02885	3.5
109.06551	12.0
109.10165	3.9
111.04458	2.5
115.05458	8.7
116.06238	3.0
117.07014	20.5
119.04940	6.7
119.08589	27.8
121.02913	3.7
121.04325	2.7
121.06499	9.4
121.10139	4.7
123.04405	5.8
123.08065	4.2
125.06020	3.8
127.45676	2.1
128.06218	9.9
129.07025	11.9
131.04935	100.0
131.08586	24.3
133.06488	19.0
133.10139	18.7
135.04396	5.9
135.08069	9.9
135.91103	2.9
136.19891	2.3
137.05984	10.3
137.09601	2.8
139.03902	4.8
141.06999	7.8
142.07791	8.2
143.08554	23.0
145.06502	19.0
145.10153	19.2
147.08057	20.5
147.11679	4.3
149.06000	8.8
149.09602	10.1
151.07530	6.8
153.05478	3.3
153.06975	2.9
153.17055	2.4
154.07867	2.9
155.08565	10.5
156.09341	10.8
156.84813	2.3
157.06537	6.1
157.10147	33.1
158.10844	4.6
159.08047	19.3
159.11703	18.6
161.06007	27.1
161.09622	21.4
163.07600	12.5
163.11235	2.8
165.06885	3.2
166.07816	3.2
167.07063	3.4
167.08546	7.6
168.09441	4.2
169.06398	4.1
169.10124	13.9
170.10921	5.4
171.08031	13.4
171.11690	29.4
173.05975	12.8
173.09633	15.1
173.13303	6.3
175.07538	11.8
175.11243	5.3
177.05447	3.1
177.09117	6.7
179.07053	10.4
179.08459	4.5
180.09296	3.3
181.10130	8.6
183.08028	6.8
183.11676	16.6
184.08778	4.1
184.12141	2.6
185.05998	4.3
185.09627	12.4
185.13266	13.7
187.07547	8.3
187.11192	11.5
189.05460	3.8
189.09109	10.2
191.07033	5.7
191.10648	3.6
191.22636	2.5
192.09421	3.5
193.10147	6.7
195.08054	4.4
195.11714	6.7
196.08731	3.6
197.09607	10.6
197.13300	9.2
199.07555	6.1
199.11179	27.7
200.12012	3.5
201.09131	6.3
201.12840	18.5
203.10715	2.8
205.08556	3.5
205.10307	3.0
207.11687	6.9
209.09607	9.2
209.13312	4.3
211.07533	3.8
211.11217	10.8
213.05559	3.4
213.09142	12.2
213.12724	13.8
215.10681	8.9
217.08609	7.5
217.12112	3.5
218.10939	3.1
219.11784	5.3
220.12343	2.6
221.09764	3.3
221.13232	8.1
222.10298	2.5
223.11169	5.9
223.14793	3.7
225.09113	8.2
225.12691	6.0
227.10657	23.9
229.12276	8.1
231.13788	4.9
233.15321	5.3
235.14828	3.5
237.09111	3.7
237.12706	6.6
239.10733	3.7
239.14320	3.1
241.12274	6.2
243.10088	4.5
243.13896	4.3
245.08063	23.2
245.11621	3.4
249.12946	3.6
249.16441	2.7
255.13905	4.7
257.11615	3.4
259.13284	4.4
260.11880	2.8
263.10599	3.8
265.12228	3.2
287.12631	15.8
289.15735	4.1
303.12457	5.5
303.17010	2.6
305.13943	15.6
307.16867	2.9
315.17487	3.6
317.15326	3.8
317.19022	3.5
319.16949	3.5
329.15158	4.3
331.16873	6.7
341.15021	3.0
343.15756	9.4
345.18552	5.4
349.17957	6.0
355.17035	2.8
359.16107	3.6
361.17838	4.1
363.19675	3.5
365.17273	3.5
373.18027	6.8
375.15424	3.5
375.19647	4.8
377.17426	3.4
379.18933	4.4
387.15958	4.9
391.19028	6.8
401.16010	14.5
403.17590	51.3
405.16345	3.4
405.20950	5.1
419.17459	7.0
421.18527	12.1
423.21600	7.3
433.20215	7.1
437.19589	5.1
447.17902	6.6
451.21173	8.6
453.19272	4.0
457.18332	4.3
465.19049	11.7
469.21896	4.3
477.22366	4.2
483.20331	11.6
495.24014	15.3
501.21277	4.7
533.19409	3.0
545.21350	2.9
563.22998	11.5
569.23499	9.9
581.23474	13.6
599.25262	7.9
617.25433	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	617.2593
Annotation	3-Vinylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
51.29507	2.1
55.01873	5.4
55.05515	25.6
65.03943	1.9
67.05513	6.8
68.04656	1.9
69.03428	6.1
69.07070	3.9
69.22797	10.5
69.23215	9.1
79.05513	10.1
81.03421	6.5
81.07055	9.2
83.04987	44.1
85.02928	4.2
91.05484	13.5
93.07059	8.5
95.04971	20.8
95.08621	8.3
97.06516	2.2
98.21504	4.3
103.05492	9.4
105.07040	23.3
107.04983	6.2
107.08602	10.9
109.06551	5.7
111.04461	2.3
115.05470	7.3
117.07051	9.1
118.97668	2.0
119.04983	2.9
119.08581	17.5
121.06541	5.8
121.10138	4.3
123.08070	4.7
125.06005	3.1
128.06273	7.0
129.07024	8.9
131.04921	17.7
131.08554	12.8
133.06511	18.0
133.10136	9.2
135.08107	5.9
137.05984	5.1
141.07028	4.2
142.07820	8.0
143.08569	12.7
145.06567	11.2
145.10123	10.1
147.08096	9.2
149.06003	4.6
149.09679	6.7
154.07800	3.0
155.08620	6.4
156.09435	5.7
157.10136	17.1
159.08078	11.7
159.11729	7.2
161.05998	27.8
161.09685	6.1
163.07590	10.0
165.05566	2.9
165.07010	3.6
166.07790	3.1
167.08604	5.6
169.06570	3.3
169.10207	11.2
170.10878	2.6
171.08122	9.8
171.11693	14.4
172.08890	3.8
173.09631	9.3
175.07611	3.7
175.11276	3.7
179.07088	3.2
179.08546	5.4
180.09377	2.6
181.10193	4.6
182.07300	4.4
183.08063	6.4
183.11768	8.3
184.08859	3.3
184.12212	3.3
185.06046	2.2
185.09662	11.1
185.13318	5.1
187.07608	5.2
187.11235	7.8
189.09235	2.6
192.09421	2.2
193.08635	2.5
193.10263	4.0
195.08115	4.3
195.11787	6.5
196.08867	3.3
197.09636	15.0
197.13220	4.0
198.10478	2.2
199.07573	5.5
199.11172	19.4
201.09178	3.6
201.12712	4.2
203.05305	2.5
206.10941	3.4
207.11800	5.5
209.09673	4.1
209.13269	3.6
211.07666	2.8
211.11230	5.7
213.09187	8.7
213.12846	7.7
215.10760	6.6
217.10384	3.4
217.12341	5.5
219.11763	4.0
221.13399	5.0
223.07664	3.7
223.11230	8.1
223.14999	3.1
225.09166	9.0
225.12746	5.1
227.07137	2.6
227.10721	5.6
229.12350	3.3
230.10944	3.6
231.10005	3.1
231.11948	4.1
233.13387	3.0
234.10474	3.0
235.11304	3.0
235.14883	4.8
237.09167	2.8
237.12943	3.3
241.08585	5.6
241.12288	3.4
243.10274	6.0
243.13965	3.1
245.06485	6.4
245.13481	3.8
246.14240	4.1
247.11438	5.1
247.14882	4.7
249.12837	3.3
249.16502	3.5
253.08588	3.0
257.08023	16.6
258.14166	2.4
259.09567	11.3
259.14877	3.3
261.16519	4.0
263.14468	4.0
269.08005	2.8
273.11685	2.3
275.17932	2.9
276.57190	2.2
285.11475	5.9
287.14209	3.0
287.18097	2.6
289.05338	55.9
289.15973	3.9
291.17523	3.7
293.15320	2.7
301.10620	10.7
302.16464	2.5
303.12213	14.8
303.17361	4.9
304.18271	3.9
305.19281	3.5
317.15579	2.4
319.11914	5.7
321.18591	3.0
323.20032	2.7
329.15277	4.4
333.18808	2.9
347.16562	4.6
351.28854	14.5
357.14819	3.3
357.19073	2.6
361.18295	3.7
369.29721	5.4
375.19724	3.2
379.18979	2.8
381.20825	3.1
387.15790	2.4
391.19254	3.8
393.21072	2.6
401.16119	10.3
403.19342	6.0
407.36963	2.2
411.30402	2.5
421.20175	8.5
439.21671	12.7
449.16171	4.1
457.22046	5.2
463.17599	9.2
469.18698	5.6
481.18393	13.4
499.20020	12.4
517.21411	5.1
539.23816	4.0
563.22833	3.3
573.36603	6.5
581.24084	3.4
599.25244	4.1
617.25427	4.7
617.35217	100.0
649.21735	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	615.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.1
55.01863	6.8
55.05514	29.8
57.03429	3.0
57.07064	2.2
59.73446	2.4
62.69350	2.7
65.03915	3.2
67.05518	13.8
69.03424	7.9
69.07065	7.9
69.97877	10.9
71.04982	3.9
73.68279	2.5
79.05515	17.6
81.03416	6.2
81.07063	16.4
83.04980	44.1
83.08610	4.3
83.16113	2.4
91.05478	33.8
93.07050	33.4
94.70412	2.5
95.04981	12.7
95.08607	21.0
97.06513	4.2
103.05481	41.0
105.03405	3.1
105.07031	47.0
107.04947	3.3
107.08587	30.4
109.06541	6.3
109.10126	9.5
110.59730	2.8
111.08139	3.2
115.05437	4.9
116.64689	2.7
117.07043	15.1
119.04901	2.7
119.07806	3.7
119.08591	51.2
121.06470	4.4
121.10136	20.0
123.08081	7.0
123.11694	2.6
128.06169	6.4
129.07008	13.5
131.04935	100.0
131.08577	29.5
133.06421	6.8
133.10141	36.2
135.08073	6.3
135.11667	7.4
137.09595	3.0
141.06982	9.2
142.07768	10.7
143.08595	28.1
144.09299	3.8
145.06479	5.4
145.10121	29.7
147.08051	38.1
147.11673	11.7
149.09633	14.9
151.07558	3.2
153.07008	6.7
154.07654	3.7
155.08553	18.9
156.09317	12.8
157.06427	4.5
157.10132	41.4
158.10922	3.3
159.08026	19.4
159.11714	27.9
161.05994	4.9
161.09631	39.2
161.13257	7.0
163.11206	6.1
165.07010	9.1
165.09106	2.8
166.07762	4.7
167.08556	9.9
167.10698	3.3
168.09341	4.3
169.06390	2.5
169.10120	20.8
170.10921	12.1
171.08069	12.1
171.11687	32.0
173.05919	7.1
173.09624	16.9
173.13269	11.5
175.07414	6.2
175.11211	11.4
179.08565	8.7
180.09270	5.0
181.10150	16.2
182.10916	11.3
183.08060	7.6
183.11664	37.0
184.12373	3.1
185.09592	13.8
185.13271	26.1
187.07515	7.6
187.11172	9.1
187.14795	6.0
189.09102	3.1
189.12773	2.7
192.09305	4.6
193.10138	10.3
194.10835	4.6
195.11728	22.2
196.08788	4.0
197.09624	9.0
197.13254	33.6
198.10371	8.7
199.11168	28.4
199.14754	5.1
201.12773	12.5
205.10352	6.1
206.10860	5.2
207.11763	14.0
208.12544	5.4
209.09563	6.1
209.13284	16.7
210.10486	3.7
211.11217	29.7
211.14813	6.1
213.12756	62.3
215.14331	18.3
217.10178	4.4
217.12169	5.5
219.11661	7.7
221.09758	3.3
221.13329	14.4
221.15105	3.3
222.13983	2.9
223.11179	9.1
223.14795	11.5
225.12741	11.7
225.16400	3.1
227.14221	4.7
229.10146	5.2
229.12225	23.6
230.10809	4.5
231.11639	6.4
231.13818	6.1
232.12292	5.8
233.09630	6.0
233.13187	10.2
233.15373	5.8
234.14131	5.6
235.11133	3.7
235.14812	14.2
237.12788	5.9
237.16254	4.6
238.13489	2.6
239.14246	8.9
244.12529	6.2
245.13258	9.9
245.15512	3.4
246.14194	3.3
247.14752	8.9
249.16449	17.2
251.14230	7.0
253.15797	3.5
257.13223	6.0
258.14005	3.8
259.14862	7.2
260.15698	3.4
261.12735	3.1
261.16302	7.5
262.17334	2.8
263.14133	4.2
263.18042	5.8
265.15811	5.8
265.19290	2.7
267.17575	2.9
268.12152	2.7
269.13037	4.3
270.10287	3.0
271.14709	6.2
273.12393	4.4
273.14859	40.8
274.17111	8.4
275.18021	4.3
277.19382	6.9
279.17859	3.0
279.21014	9.9
281.18918	2.8
283.11258	4.2
285.16382	6.1
286.13446	3.7
287.14355	6.0
287.17886	6.9
289.19427	18.0
291.20999	5.0
292.46951	2.7
297.12665	4.1
301.15680	4.1
301.19067	3.9
303.17374	5.2
307.17337	4.4
307.20575	33.4
309.12622	5.0
311.14151	3.1
313.15872	8.4
319.20505	7.2
328.18341	3.2
329.18820	4.7
331.17160	4.0
331.20712	3.9
331.24313	3.8
337.21640	26.0
338.16714	3.4
341.18970	11.1
343.20566	5.6
345.18408	6.3
347.20071	3.6
347.23642	4.4
349.25244	6.0
353.19022	11.1
359.19812	5.2
359.23679	18.3
365.24936	5.8
367.22614	7.0
367.26382	6.5
371.20135	34.8
377.24768	77.5
389.21188	20.4
395.25854	80.8
431.22079	8.4
437.27081	20.2
449.23260	6.4
455.21613	5.0
455.28015	77.7
497.28918	14.2
515.30042	6.0
579.27051	3.8
597.34753	4.4
615.28717	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	615.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.9
55.01881	10.2
55.05521	7.5
65.03939	1.1
67.05489	4.2
69.03424	3.9
69.07075	6.3
77.03909	1.3
79.05491	5.8
81.03426	6.5
81.07056	3.7
81.64118	1.1
82.06799	1.1
83.04999	11.5
83.69639	1.1
91.05489	19.1
93.07080	9.4
95.01333	2.4
95.04972	11.8
95.08607	4.2
97.06551	1.3
98.97599	1.4
103.05481	42.1
105.03432	1.1
105.04498	1.7
105.07039	17.5
107.04948	3.6
107.08611	6.9
109.06521	2.7
109.10145	1.7
111.07992	1.3
111.55917	1.1
115.05452	6.6
116.06266	1.3
117.07032	12.2
119.04958	1.1
119.08598	22.5
121.06526	6.7
121.10171	5.5
123.08054	1.9
128.06221	6.9
128.75696	1.1
129.07018	10.5
131.04944	100.0
131.08589	13.6
133.06477	4.8
133.10150	15.8
135.08028	4.9
137.09625	1.8
141.07004	6.1
142.07790	6.5
143.08572	13.6
144.05698	1.3
144.09355	1.7
145.06509	11.1
145.10141	11.8
145.11186	1.9
146.07297	1.5
147.08064	26.0
147.11710	2.1
149.05905	1.4
149.09601	7.0
153.06967	3.6
154.07826	1.7
155.08598	9.4
156.09352	7.7
157.06538	2.7
157.10150	22.0
158.07274	3.0
159.08081	20.7
159.11708	10.2
161.06049	2.0
161.08296	2.2
161.09641	43.5
163.07564	14.2
163.11220	1.4
165.07011	4.1
166.07756	2.7
167.08606	5.4
168.09402	5.5
169.06488	4.0
169.10143	9.8
170.10924	3.8
171.08028	9.0
171.11734	18.4
172.08830	1.9
173.06000	3.9
173.09650	16.2
173.13298	5.5
175.07632	6.5
175.11217	5.1
178.07811	1.3
179.08588	2.8
180.09381	3.2
181.08754	1.4
181.10088	8.2
182.07259	1.6
182.10916	2.0
183.08063	3.9
183.11728	20.2
184.08774	1.5
185.09665	11.5
185.13274	9.0
186.10443	2.2
187.07573	10.5
187.11224	5.7
187.14757	1.4
189.09111	4.3
189.12703	2.5
191.08578	1.3
191.10553	1.2
192.09355	2.6
193.10097	7.5
194.10954	2.4
195.08073	2.7
195.11784	6.7
196.08853	5.1
197.09604	5.1
197.13293	7.1
199.07581	1.1
199.11172	14.3
201.09076	3.6
201.12741	7.0
203.08598	1.6
203.10666	2.0
204.09253	1.6
205.10155	1.8
205.12033	1.3
206.10887	2.4
207.11679	5.3
209.09731	6.3
209.13260	2.6
210.10294	1.5
211.11234	20.7
213.09065	1.9
213.12785	10.2
215.10661	2.5
215.14272	3.8
217.10107	3.5
217.12115	2.6
218.10805	1.4
219.08109	1.3
219.11737	3.4
220.12445	2.1
221.09601	1.4
221.13210	3.7
222.10550	1.2
223.11189	7.7
223.14893	1.7
225.12794	3.4
227.10666	3.6
229.10272	1.5
229.12250	32.3
230.10876	3.1
231.11719	3.1
231.13802	3.7
233.09726	1.7
233.13412	2.2
233.15318	1.7
234.14084	1.9
235.11240	3.2
235.14803	2.8
237.09212	5.6
237.12752	4.8
239.10757	1.7
239.14159	1.8
241.12256	2.3
242.10959	1.5
243.11681	2.4
243.13805	3.5
244.12332	2.9
245.13239	4.7
246.10403	1.4
246.14049	2.2
247.11073	2.4
247.14946	1.9
249.12669	2.7
251.14407	3.1
253.10049	1.6
255.11748	3.4
256.12564	2.5
257.13275	2.3
259.11081	2.5
259.13226	2.5
261.12701	3.3
263.14297	3.2
265.15860	1.5
267.11789	2.7
268.12283	2.0
269.13358	3.2
270.14096	1.8
271.11157	1.7
271.14893	3.0
272.11838	1.8
273.12564	5.7
273.16327	2.6
274.13358	2.0
275.14404	2.4
281.13208	2.3
282.10367	1.4
283.11188	2.8
283.14606	1.7
284.11996	1.6
284.15497	1.7
285.12704	4.2
285.16217	3.6
286.13364	1.4
287.14169	4.5
289.15442	1.2
295.14459	2.4
296.11972	1.9
297.12668	4.2
297.15952	1.9
298.13577	5.0
298.16714	1.4
299.14365	3.9
301.15866	3.0
303.17551	5.5
308.39056	1.5
309.12662	5.3
311.14230	3.3
312.15015	3.3
313.15903	11.1
314.16489	2.2
315.13965	1.9
315.17453	3.4
315.83127	1.3
317.18948	1.6
323.14310	4.1
324.15039	4.8
325.15891	1.8
326.16586	2.9
327.13901	1.6
327.17471	3.9
328.14542	1.7
329.15228	2.7
329.18973	2.9
331.16840	6.7
331.20581	2.2
338.16733	2.7
341.15485	1.8
341.19043	12.7
343.20605	6.1
345.18518	7.9
347.16360	1.3
347.20007	4.1
353.19205	9.5
359.16278	1.8
359.20084	10.4
361.21835	2.6
363.19708	1.7
371.20129	41.1
373.17905	3.3
375.15536	1.3
389.21115	18.5
391.18826	1.4
405.20453	4.1
407.22177	4.1
431.22275	7.7
433.19998	4.1
437.19662	1.8
449.23218	4.2
451.21066	2.4
467.24387	4.3
519.25232	1.4
537.24823	4.8
579.26593	3.9
597.28241	3.3
615.29358	14.0
615.40302	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	615.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.3
55.01872	5.2
55.05259	5.3
55.05510	62.4
61.28561	3.4
67.05489	5.4
68.24566	2.8
69.03437	8.8
69.07057	6.3
69.29354	7.0
69.29762	22.8
73.18660	3.0
79.05489	13.8
81.07042	12.0
83.04986	100.0
91.05486	27.8
93.07053	13.6
95.04973	9.9
95.08606	7.2
98.20725	6.4
99.04448	3.1
103.05486	6.7
105.07022	41.6
107.04952	4.2
107.08599	13.8
109.06501	8.2
109.10162	6.4
115.05460	9.4
117.07004	18.4
119.04916	4.5
119.08588	34.9
121.06527	7.1
121.10154	6.7
123.08057	6.5
125.06080	3.0
128.06221	7.5
129.07019	8.8
131.04919	7.8
131.08562	25.1
133.06529	19.0
133.10172	22.9
135.08046	13.3
141.07001	5.1
142.07784	7.7
143.08560	17.1
145.06471	15.7
145.10124	21.5
147.08075	19.1
147.11716	6.2
149.06006	4.1
149.09604	11.5
153.05547	2.6
153.06960	5.4
154.07782	6.0
155.08562	12.0
156.09369	18.3
157.10132	26.8
159.04395	4.9
159.08086	17.6
159.11705	11.6
161.05962	23.8
161.09641	19.1
163.07562	6.0
165.06975	6.9
165.09070	4.4
167.07062	4.1
167.08508	6.5
169.06609	3.0
169.10097	21.9
170.10915	9.2
171.08070	12.9
171.11681	52.2
172.12411	4.1
173.06026	6.8
173.09628	15.3
175.07584	14.5
177.05513	7.0
177.09082	11.7
179.07050	4.9
179.08575	5.1
181.10164	10.9
183.08055	7.8
183.11674	33.7
184.08902	3.6
185.09692	14.5
185.13268	36.1
187.07550	8.3
187.11183	9.4
189.05466	5.5
189.09163	3.8
191.10690	4.3
193.08600	3.9
193.10153	9.8
195.11725	8.6
197.09634	10.7
197.13251	6.1
199.11253	27.7
200.11967	7.6
201.09167	3.6
201.12785	8.6
203.07010	5.7
203.10811	3.7
205.04874	4.7
206.10912	5.1
207.11771	3.7
209.09674	7.3
209.13239	6.8
211.07610	4.9
211.11198	13.9
213.09106	8.9
213.12723	25.2
215.10660	9.3
217.08598	8.8
217.12192	7.2
219.11830	4.4
219.13805	3.7
221.13239	8.4
223.11220	6.5
225.12767	4.6
227.10661	4.8
229.10283	4.0
229.12268	13.0
231.09908	4.4
231.11824	5.0
231.13680	23.6
232.12398	3.8
233.13446	6.4
235.11267	7.9
235.14874	4.1
239.14413	3.8
241.12294	9.2
243.11824	6.2
243.13840	5.6
244.12439	6.1
245.13316	9.2
246.10239	4.2
246.13782	3.2
247.11266	5.8
247.14851	4.9
248.11818	3.8
249.08870	3.6
249.12764	8.1
249.14891	4.6
250.13194	3.2
253.12387	4.5
255.11633	6.5
257.13492	7.0
259.13269	20.9
260.12018	3.0
261.12851	4.6
261.16562	3.7
262.13443	4.2
263.10532	4.4
263.14267	7.6
265.12158	3.6
269.13260	4.8
270.14130	4.9
271.11182	4.1
271.14917	6.5
272.15710	4.5
273.12674	6.3
273.16330	5.0
275.18008	5.4
278.13217	3.4
279.13962	4.0
281.13293	3.8
283.14682	4.1
285.12726	4.6
285.16287	9.8
287.14438	6.3
287.17633	5.4
288.15244	4.9
289.12338	3.7
289.15866	3.8
297.12595	3.2
299.14307	4.8
301.15814	5.9
303.13879	5.0
303.17236	4.3
307.16962	5.2
313.15771	9.7
313.93579	3.2
315.13788	5.2
315.17441	4.1
317.15427	4.7
319.16788	6.0
320.17700	3.4
321.18460	4.6
327.13934	4.6
327.17548	7.5
329.15237	8.6
330.16107	3.8
331.16953	11.2
341.15170	7.6
342.15726	3.9
345.18497	12.7
347.16339	7.4
349.17892	6.5
355.16983	8.9
359.16504	13.2
361.18079	3.8
363.19525	10.4
373.17981	26.6
375.19769	3.4
377.17383	11.3
383.16354	4.1
389.17203	11.2
391.18997	22.8
395.18436	5.0
401.17514	30.8
407.18417	9.1
409.20016	10.5
419.18558	74.5
437.19601	62.2
455.20743	23.5
479.20682	8.3
497.21744	16.6
515.22699	18.5
597.26648	5.4
615.28906	5.7
626.57361	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	615.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	20.4
55.01878	14.1
55.05506	33.6
65.03934	7.6
67.05499	21.8
69.03436	48.6
69.07048	6.9
69.64597	42.6
79.05491	30.0
79.71110	6.4
81.03403	13.1
81.07072	18.3
83.04993	79.0
84.62114	6.7
86.76283	7.4
91.05495	57.9
93.07046	46.1
95.01343	17.4
95.04975	51.8
95.08603	11.7
97.06538	8.3
103.05466	22.5
105.07040	91.1
107.04943	21.7
107.08595	18.7
109.06503	18.4
115.05419	21.8
116.06216	8.0
117.07001	30.9
119.04874	9.9
119.08585	58.4
121.02870	8.7
121.06515	31.3
121.10150	22.6
123.08059	8.6
128.06236	28.6
129.07010	22.6
131.04936	30.7
131.08551	36.9
133.06485	41.4
133.10159	40.6
134.07294	11.3
135.08055	15.8
141.06979	10.6
142.07774	18.0
143.08554	51.7
144.05629	8.6
145.06462	34.6
145.10132	28.3
147.08052	34.2
149.05977	25.2
149.09598	18.6
153.06972	15.0
154.07744	11.8
155.08553	29.0
156.09329	38.4
157.10133	65.3
158.07330	8.9
159.08035	42.4
159.11703	23.9
161.05989	73.5
161.09604	22.3
162.06796	13.8
163.07539	18.2
165.06981	11.9
165.09186	14.1
166.07835	11.5
167.08548	19.1
167.10747	16.6
169.06464	8.7
169.08859	8.0
169.10133	34.7
170.10930	27.3
171.08028	26.9
171.11703	87.2
172.08893	9.6
173.05919	18.0
173.09636	34.4
175.07545	12.4
175.11163	11.3
177.05453	16.5
179.08507	10.4
181.10098	22.8
182.11038	9.1
183.07997	17.1
183.11676	59.8
184.08859	17.2
185.06015	8.4
185.09641	31.8
185.13318	66.5
187.07574	12.1
187.11211	22.4
189.05467	19.0
189.08965	10.8
190.06293	11.0
193.10155	24.4
195.08098	10.4
195.11681	28.4
197.09599	30.9
197.13271	29.0
199.07526	21.2
199.11176	55.4
201.12775	19.3
205.08487	8.1
207.11703	19.6
209.09610	11.3
209.13129	7.6
211.11208	21.1
213.09103	21.9
213.12762	100.0
215.14323	9.7
216.09135	7.7
217.10336	9.3
217.12263	10.5
218.10858	8.4
218.76961	7.1
221.13176	14.7
222.10374	10.1
223.11073	8.5
223.14740	11.5
225.09171	17.4
225.12675	9.7
227.10689	28.2
231.13773	13.0
233.13268	13.1
233.15448	9.8
235.11118	18.0
237.12773	14.6
239.10631	11.3
241.12216	14.9
243.11717	12.7
243.13890	17.5
244.12306	8.9
245.08026	33.6
245.13263	14.0
245.15425	13.5
256.12439	7.8
257.15628	9.6
259.13199	14.4
267.13864	9.9
273.14923	18.6
275.14297	14.0
285.12909	9.1
287.14423	11.2
289.12003	8.4
297.12766	8.4
299.14188	21.4
301.12164	7.9
301.15921	12.7
303.17484	9.3
313.15875	23.1
314.16501	8.9
315.13824	18.2
315.17325	14.2
317.15347	16.6
327.17194	8.1
331.16937	14.5
335.16507	11.1
341.15292	14.8
343.16962	18.0
347.16510	11.0
359.16397	17.6
373.17932	23.6
377.17386	14.7
385.16718	23.2
387.17810	12.3
402.18182	12.5
419.18271	13.6
434.21271	9.4
435.21906	11.1
447.17883	11.3
451.20993	17.3
462.20120	25.5
565.23987	15.6
566.24554	8.5
581.27246	14.3
597.26904	30.5
597.38989	11.5
615.27893	19.6
615.39984	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01859	3.1
55.05514	59.2
64.95602	1.5
67.05494	4.4
69.03419	5.6
69.07079	2.5
70.70945	4.3
79.05513	7.7
81.03400	2.0
81.07044	7.2
83.04985	100.0
91.05479	11.5
92.37806	1.5
93.07055	10.8
95.04958	5.3
95.08595	7.4
97.06521	2.3
103.05444	5.1
105.07039	19.8
107.04950	3.6
107.08602	11.0
109.06501	5.0
115.05424	3.4
117.06995	9.4
119.04935	4.4
119.08590	13.8
121.06496	4.9
121.10131	6.5
123.08057	3.3
128.06174	2.2
129.06979	5.5
131.04922	9.1
131.08580	13.3
133.06526	10.2
133.10144	14.1
135.08037	5.4
137.06004	2.0
141.07002	2.7
142.07797	5.8
143.08557	11.5
145.06485	5.1
145.10118	9.2
147.08072	11.3
147.11626	2.2
149.06030	2.5
149.09624	7.7
151.07574	2.6
153.07024	4.3
155.08531	8.7
156.09346	9.1
157.06467	3.2
157.10141	21.3
158.07240	2.2
159.08035	12.1
159.11688	5.1
161.05974	7.9
161.09663	11.6
163.07475	4.7
167.08591	4.4
168.09288	2.5
169.10126	12.8
170.10831	7.7
171.08110	7.8
171.11679	25.4
172.12267	1.6
173.09631	13.1
173.13252	5.2
175.07561	5.2
175.11215	3.8
177.05452	5.2
177.09142	4.6
179.07065	2.8
179.08519	3.5
180.09285	2.3
181.10155	3.3
183.08109	3.6
183.11699	21.1
184.08838	2.3
185.09647	8.5
185.13257	12.7
187.07593	2.5
187.11157	7.0
189.09081	3.9
191.06990	3.2
191.10661	3.5
193.08607	3.2
193.10182	5.5
194.10902	2.6
195.11647	4.9
196.08710	2.5
197.09607	5.8
197.13216	6.5
199.07484	2.9
199.11185	13.8
200.11931	1.8
201.09155	3.0
201.12776	3.8
203.10616	2.1
205.10159	3.7
206.10866	2.1
207.11662	7.9
209.13316	4.5
211.07509	2.4
211.11182	5.1
213.09094	4.5
213.12730	14.1
214.12975	1.7
215.08783	2.2
215.10709	6.6
217.08582	3.9
217.10370	2.0
217.12172	3.3
218.10902	2.4
219.11717	5.5
220.12445	2.8
221.09749	2.4
221.13268	5.0
223.07523	1.9
223.11237	5.3
223.14738	2.5
224.11890	2.9
225.09023	2.0
225.12701	3.4
227.10660	4.0
229.10234	2.9
229.12227	4.8
230.10974	3.9
231.11655	4.8
231.13577	8.1
232.12518	3.5
233.13220	6.8
235.11313	2.4
235.14815	4.7
237.12720	2.6
239.10698	3.2
241.12257	3.6
242.10783	2.7
243.11700	4.8
243.13855	2.3
244.12418	5.4
245.13426	7.9
246.13922	2.8
247.11162	3.4
247.14853	7.3
249.16301	5.1
251.14429	2.5
256.12350	2.4
257.13400	3.8
258.14011	2.7
259.13095	23.8
260.15640	2.3
261.12717	3.0
261.16479	8.1
262.13376	1.8
263.14261	3.5
265.15906	3.1
269.13303	2.0
270.14066	4.3
271.14807	5.5
272.12030	1.9
272.15381	1.7
273.12531	2.4
273.16275	5.6
274.13220	1.7
275.14145	4.7
277.15936	3.7
278.16541	2.1
284.15533	1.8
285.12872	2.1
285.16367	4.3
287.14221	4.8
289.15793	2.8
291.17404	4.8
293.19058	3.2
298.13504	3.1
299.14160	1.9
300.15274	1.9
301.15787	4.8
303.14038	2.5
303.17377	5.2
305.15442	2.9
307.16895	4.7
309.18399	3.9
311.14096	2.0
313.15628	3.6
315.17331	3.9
317.15442	3.8
319.16995	1.8
320.17593	2.0
321.14868	2.3
321.18475	5.9
323.16251	1.9
327.13058	1.8
327.17181	2.6
329.19107	2.1
331.16943	5.6
333.18396	2.4
337.17999	3.4
339.19559	5.0
341.15213	3.3
343.16946	2.7
345.18478	4.9
347.16232	4.1
347.19998	3.2
349.17972	5.5
355.17020	2.6
359.16379	10.6
361.17996	4.6
363.19522	5.9
373.18051	13.2
375.19534	5.7
377.17508	12.0
379.19009	2.0
381.20734	2.5
383.16385	2.3
389.17426	3.8
391.19150	14.9
393.16437	1.9
393.21005	2.9
399.21710	2.6
401.17404	8.6
407.18588	6.7
409.20105	10.4
419.18472	30.5
427.21136	2.7
433.19901	5.2
437.19522	24.8
451.21042	5.3
455.20694	24.0
469.22253	2.2
479.20544	7.4
497.21680	8.6
515.22278	4.7
579.25702	3.5
597.27142	3.5
615.27142	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	615.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50928	4.6
55.05515	66.5
67.05487	9.4
69.07058	7.8
69.22916	12.8
69.23327	32.4
71.04974	5.5
79.05482	18.0
81.07040	10.5
83.04984	100.0
91.05488	30.8
93.07018	11.6
95.04974	11.7
95.08636	8.7
103.05469	6.2
105.07042	46.9
107.08565	12.9
109.06510	5.3
115.05455	12.6
117.07005	21.4
119.04920	6.7
119.08597	45.9
121.06507	8.8
121.10121	7.6
125.02312	7.9
128.06253	10.7
129.07021	13.3
131.04921	8.2
131.08594	28.1
133.06476	22.8
133.10150	35.7
135.08069	10.3
142.07806	9.3
143.08563	21.8
145.06493	18.1
145.10155	18.6
147.08040	19.2
149.09579	13.6
153.06944	6.6
155.08572	14.7
156.09366	13.4
157.10115	35.1
159.04398	9.8
159.08051	19.3
159.11662	18.8
161.06026	27.1
161.09613	28.6
163.07483	8.6
165.07034	9.4
169.10121	22.9
170.10912	14.2
171.07986	16.7
171.11703	68.9
173.06017	8.0
173.09590	18.8
173.13336	11.8
175.07544	16.6
177.09082	16.5
180.09259	7.6
181.10133	8.2
183.08046	8.2
183.11697	46.2
184.08749	5.4
185.09657	23.5
185.13242	47.8
187.11136	16.4
189.05458	10.8
189.09087	6.0
191.10652	9.3
193.10167	12.0
194.11037	7.1
195.08087	7.8
195.11673	19.2
197.09628	13.9
197.13216	5.8
199.07564	7.6
199.11227	31.5
201.12753	6.5
205.08418	7.0
207.11729	12.2
209.13084	6.6
211.11183	14.6
213.12724	35.3
215.10622	6.2
217.08501	13.3
217.12294	8.5
219.11760	6.6
221.13248	12.2
229.12163	8.6
231.11818	9.0
231.13742	31.5
233.13316	9.2
235.14761	10.2
241.12297	12.3
243.13840	7.2
244.12567	8.5
245.13364	12.0
257.13446	6.9
258.14218	5.0
259.13181	14.5
265.12253	8.3
271.11526	6.3
271.14630	6.2
275.14252	7.0
285.16321	6.0
287.14450	9.7
301.12390	8.3
301.15872	6.1
315.17255	6.7
329.15125	6.2
331.16922	17.9
341.15115	9.0
343.16898	6.7
345.18515	13.4
349.18085	8.7
355.16815	7.5
359.16318	17.9
373.17999	35.6
377.17502	13.8
383.16531	10.0
383.37006	5.1
389.17331	14.4
391.19229	27.6
401.17499	40.1
409.20074	18.5
417.20953	7.1
419.18527	84.4
437.19489	53.0
453.22214	5.6
455.20724	12.4
479.20364	12.9
497.21490	20.2
515.22815	31.7
597.28680	10.8
615.30957	24.0
640.56104	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	615.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.5
54.20004	3.9
55.05270	4.5
55.05515	70.0
67.05492	5.4
69.03416	4.9
69.07059	4.7
70.71902	9.5
79.05482	13.0
81.07044	10.6
83.04982	100.0
91.05491	26.7
93.07005	10.0
95.04955	10.6
95.08574	8.4
97.06512	3.9
103.05456	7.3
105.07047	36.1
107.08590	11.5
109.06499	7.7
115.05463	9.1
117.07026	11.1
119.08581	31.1
121.10162	10.3
128.06226	9.4
129.06993	11.2
131.04877	3.7
131.08548	18.9
133.06477	17.5
133.10135	22.8
135.08029	11.0
141.06973	5.4
142.07782	9.7
143.08543	20.4
145.06477	8.7
145.10138	18.0
147.08026	19.4
149.09590	8.0
154.07774	4.7
155.08527	8.4
156.09344	14.7
157.10149	32.3
159.08055	18.2
159.11685	11.5
161.05986	25.7
161.09616	15.9
163.07619	8.5
163.11237	4.5
165.06964	4.6
167.08565	5.3
169.10129	14.9
170.10927	8.9
171.08054	12.7
171.11684	45.9
173.06064	10.3
173.09650	19.5
173.13298	5.8
175.07553	12.0
177.09067	9.2
177.23917	3.4
179.08507	6.0
181.10130	11.2
183.08084	4.2
183.11729	36.8
184.08875	4.3
185.09607	13.9
185.13219	24.9
187.07587	5.9
187.11133	9.9
189.05493	7.8
189.09082	7.0
193.10112	10.2
195.11674	14.9
197.09602	11.9
197.13281	7.2
198.10318	5.1
199.11182	25.7
201.12776	15.4
203.10857	5.3
203.69762	4.0
205.10199	5.7
206.10878	6.2
207.11699	9.8
209.09612	5.1
209.13274	8.1
210.10365	3.8
211.07584	6.7
211.11183	9.7
213.09172	7.1
213.12708	27.3
215.10646	8.5
217.08464	5.8
217.10326	7.1
217.12164	7.2
218.56245	3.7
220.12502	6.2
221.09634	3.9
221.13268	6.1
223.11226	8.1
225.09212	4.4
225.12904	5.4
227.10713	6.7
229.12242	10.4
231.11839	6.8
231.13716	17.5
233.13431	7.0
234.10390	5.0
235.14879	4.1
237.12747	4.6
239.10799	7.0
241.12247	16.6
242.10835	4.6
243.11653	8.5
243.13765	7.0
244.12592	5.3
247.14894	5.7
249.12761	4.6
255.11658	3.7
256.12500	5.5
257.13516	7.3
258.14203	6.3
259.13129	19.3
267.13928	5.7
270.14017	8.4
271.14777	13.5
272.11917	4.9
273.12747	3.8
277.14465	6.7
285.12891	6.8
285.16278	9.6
287.14218	7.3
289.12210	4.8
293.15396	4.3
299.14380	4.4
301.11697	4.2
301.15628	8.0
303.13782	7.0
303.17276	6.5
313.15823	8.2
317.15488	4.5
319.16870	7.2
321.18561	4.6
327.17535	5.4
327.43573	3.7
329.15186	9.3
331.16830	17.4
337.17859	4.9
341.15436	10.2
345.18430	15.5
349.17874	4.6
355.16919	14.2
357.18286	3.5
359.16470	19.3
360.17322	4.6
361.18018	5.9
363.19547	5.2
373.17996	29.9
375.19775	7.3
377.17490	10.4
383.16623	7.2
389.17487	10.0
391.18948	30.4
395.19205	4.7
401.17438	40.2
407.18564	7.5
409.20160	13.5
419.18542	79.4
437.19617	55.9
455.20404	19.6
479.20612	11.8
497.21725	15.9
515.22784	12.9
579.25824	6.2
581.30878	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	615.2801
Annotation	Swietemahonin C
Peak:m/z	Relative Intensity
53.03680	3.0
55.05519	62.9
61.15163	2.7
67.05500	8.3
69.03423	7.0
69.07074	4.9
69.25580	25.7
79.05492	12.6
81.07059	8.9
83.04988	100.0
91.05499	19.3
93.07048	20.5
95.04977	11.2
95.08597	9.1
103.05487	4.4
105.07030	33.3
107.04984	3.5
107.08571	14.3
109.06562	7.1
115.05412	5.2
117.07025	13.2
119.04974	3.9
119.08591	28.6
121.06503	6.2
121.10175	7.8
123.08092	5.2
128.06206	6.9
129.07014	8.0
130.07762	3.3
131.08578	18.3
133.06476	10.9
133.10156	17.9
135.08028	13.4
137.09637	4.0
141.07040	6.7
142.07756	6.8
143.08589	20.2
145.06525	7.2
145.10161	17.8
147.08052	17.1
149.05969	3.4
149.09628	13.7
151.07559	4.8
155.08560	11.1
156.09378	10.7
157.06580	4.2
157.10123	23.4
158.07407	4.0
159.08060	8.7
159.11705	9.9
161.05980	9.6
161.09624	15.0
162.92085	3.1
163.07567	6.9
165.07008	4.2
167.08554	5.3
169.10172	9.8
170.10941	10.1
171.08035	10.4
171.11717	38.6
173.09683	13.4
173.13225	6.3
175.07608	7.1
175.44528	3.7
177.09117	3.6
179.07095	5.4
179.08521	5.2
181.10126	8.0
183.08092	6.4
183.11664	31.6
185.09637	11.8
185.13271	29.9
187.07541	4.2
187.11227	12.3
189.05426	4.2
189.09125	3.4
189.12755	2.9
191.10629	4.7
193.08600	3.4
193.10158	7.2
195.11656	9.3
197.09663	8.1
197.13252	7.8
198.10480	3.0
199.11172	18.4
200.11833	3.9
201.09167	4.0
201.12767	5.7
202.07877	3.1
205.10214	5.0
206.10934	6.6
207.11612	13.4
208.12483	3.0
209.09596	5.7
209.13290	5.9
211.11201	11.6
213.09081	3.3
213.12785	25.5
215.10597	5.2
216.09438	3.4
217.08510	5.9
217.10353	4.4
217.12213	5.3
219.11859	5.1
220.12486	6.3
221.09811	3.6
221.13300	6.7
223.11214	5.2
223.14842	8.1
225.12744	6.7
227.10710	4.1
229.12224	10.1
230.10971	4.7
231.11707	7.3
231.13841	15.5
232.12485	4.7
233.13374	7.5
234.14177	3.6
235.11154	4.1
235.14877	6.0
236.11925	3.4
237.12775	6.5
241.12267	9.4
242.10849	4.7
243.11845	4.3
244.12376	7.7
245.13397	7.3
246.14081	5.3
247.14905	7.0
249.12840	7.4
249.16338	3.3
251.14397	6.1
257.13324	9.2
258.13998	7.1
259.13168	7.7
259.15216	5.2
261.12729	8.0
263.14374	4.5
269.13339	4.5
270.13995	3.2
271.14908	4.3
272.15704	4.4
279.13950	4.1
281.15585	4.8
285.13058	3.8
285.16397	6.6
287.14203	4.4
287.17868	3.2
288.14944	3.0
289.15814	4.5
297.12747	5.3
299.14307	3.8
299.17657	3.5
301.15842	7.6
303.14026	3.4
303.17487	7.6
315.13733	5.7
315.17206	7.0
317.19028	4.7
319.16971	5.7
327.17517	7.0
329.15286	3.5
329.18973	5.4
331.16925	8.4
333.18509	5.2
335.67999	3.0
343.17105	4.6
345.18518	8.7
347.16473	6.6
347.20166	5.5
349.18042	6.0
355.16928	5.8
357.18433	3.6
359.16382	9.1
361.18011	6.5
363.19574	12.0
373.18063	15.8
375.19641	8.7
377.17563	11.1
379.19238	4.0
381.20615	7.1
383.16275	6.4
389.17245	5.4
391.19202	20.8
393.20868	3.6
397.20084	3.6
401.17465	15.3
407.18439	5.8
409.19952	16.9
415.19107	3.4
419.18539	38.9
427.21457	3.6
437.19608	39.5
455.20694	18.1
469.22577	3.2
479.20337	4.2
497.21609	4.7
515.22491	6.5
557.28101	3.3
615.29498	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	615.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.6
53.03946	2.3
55.01632	1.1
55.01878	20.1
55.05513	4.4
65.03954	2.0
67.05502	4.6
69.03426	4.2
69.07064	2.7
79.05500	10.4
81.03040	1.3
81.03431	12.9
81.07061	6.4
81.40582	1.0
83.04993	5.4
84.05322	1.1
85.34675	1.1
91.05482	39.0
93.07042	9.1
95.01332	3.0
95.04981	20.0
95.08575	1.8
97.06512	1.3
98.20757	1.9
103.05451	4.1
105.03377	2.6
105.07040	22.8
107.04967	8.3
107.08593	8.5
109.06532	6.4
113.06007	1.4
115.05464	16.0
115.92837	1.1
116.06259	5.9
117.07027	35.3
119.04965	2.7
119.08589	42.4
120.08915	2.1
121.06501	7.6
121.10149	4.9
123.08092	2.2
125.05994	1.2
128.06227	10.6
129.07021	28.5
130.07845	5.2
131.04918	5.4
131.08578	30.6
132.05682	2.7
132.08908	1.4
133.06506	4.2
133.10132	10.8
135.08041	9.0
137.06068	1.4
141.06963	5.5
142.07774	9.4
143.08572	20.7
144.05710	4.7
144.09286	4.3
145.06490	29.7
145.10138	22.1
146.10471	1.3
147.08057	100.0
148.08380	3.9
149.06015	1.9
149.09622	11.3
153.07013	3.5
154.07744	3.4
155.08572	11.7
156.09366	11.0
157.06500	3.2
157.10136	36.2
158.07343	5.2
158.10831	1.4
159.08072	56.9
159.11703	41.8
159.13033	2.1
160.08411	2.4
160.11983	1.1
161.06029	2.7
161.09642	27.1
162.10033	1.8
163.07552	79.5
164.07913	1.9
165.06984	4.4
166.07794	1.7
167.08571	4.1
167.10663	2.5
168.09372	5.2
169.06467	1.4
169.10130	30.9
170.10878	5.8
171.08020	7.5
171.09311	1.0
171.11713	19.9
172.08844	3.9
173.06036	6.8
173.09645	35.7
173.13246	9.9
174.06714	1.0
174.10239	1.2
175.07581	15.7
175.11217	3.5
177.09155	2.7
178.07825	1.4
179.08537	3.9
179.10686	1.5
180.09341	3.2
181.06480	1.7
181.10149	5.9
182.07251	1.7
183.08076	4.0
183.11714	42.6
184.08817	1.4
184.12135	2.6
185.09633	10.5
185.13272	25.9
186.10349	3.6
187.07578	3.3
187.11185	19.3
189.09152	6.3
191.10689	2.2
192.09412	2.5
193.10136	6.8
193.11990	1.4
194.10899	2.0
195.08151	1.9
195.11716	8.6
196.08855	2.9
196.12366	1.5
197.09634	14.5
197.13310	3.1
198.10414	1.3
199.11212	11.9
201.09116	18.5
201.12766	22.0
203.08675	1.8
203.10640	2.5
205.10268	1.3
205.12299	3.2
206.10976	3.4
207.11772	9.2
207.13583	1.9
208.08821	1.8
208.12460	2.6
209.09645	6.0
209.13222	3.9
210.10384	1.5
211.11209	15.4
211.14661	1.7
212.11557	2.0
213.09175	2.3
213.12865	5.8
215.10622	6.1
216.09357	1.5
217.10320	1.9
217.12291	4.5
218.10869	2.6
219.08134	2.0
219.11693	3.3
219.55255	1.5
220.12440	2.8
221.09737	1.6
221.13327	8.1
222.10364	1.8
222.14056	1.6
223.11203	6.5
223.14780	1.9
225.09085	2.6
225.12805	3.5
227.10646	5.6
229.10193	2.5
229.12248	20.4
230.10921	3.9
231.11697	3.9
231.13847	2.4
232.12485	3.3
233.09703	2.0
233.13445	1.9
233.15352	9.2
235.11241	4.9
235.14830	3.4
237.12782	7.3
239.10754	4.4
239.14349	1.9
241.12276	2.5
242.10918	1.7
243.11598	4.3
243.13837	12.4
244.12337	3.1
245.13187	3.4
245.15468	2.8
246.13995	1.8
247.11084	2.8
247.13159	1.8
247.15111	1.7
248.11916	1.4
249.12709	5.0
251.14272	4.4
253.10028	1.2
253.12346	1.7
255.11642	1.7
255.14001	2.1
256.12482	2.3
257.13281	3.9
258.14038	3.1
259.11087	2.7
259.13351	9.2
260.11884	2.7
261.12607	2.3
261.14859	10.8
263.14337	3.1
265.12311	2.3
267.11716	3.1
267.14127	1.9
269.09592	1.7
270.10388	2.3
271.10886	1.8
271.14908	3.6
272.11884	2.5
272.15524	3.0
273.12735	5.0
274.13541	3.8
275.14346	3.4
277.12241	3.0
277.15543	1.2
279.13782	2.5
281.13162	2.2
282.14142	2.5
283.11029	2.3
283.14313	1.4
284.11984	2.5
285.12747	7.1
285.16129	2.2
286.13461	4.6
286.16672	1.4
287.14261	5.6
287.17886	2.8
289.14468	3.9
291.13879	3.7
293.15341	1.9
296.15500	2.4
297.12680	2.2
297.16327	2.0
298.13556	2.5
299.11200	1.3
299.14279	6.9
300.15155	7.8
301.12378	1.6
301.15869	3.8
303.13641	1.3
305.15460	2.2
310.13153	1.4
311.17368	1.5
313.12274	2.2
313.15869	5.6
314.16653	3.4
315.13937	1.9
315.17459	26.3
316.17758	2.0
317.15421	2.5
317.18762	1.4
323.16223	2.4
325.15906	4.0
327.13782	2.4
327.17319	1.3
328.14374	2.1
329.18958	15.5
331.16827	3.3
333.14929	1.8
333.18576	7.8
339.17151	3.9
341.15247	1.4
342.16248	1.9
343.16953	7.9
345.18347	1.8
347.16342	1.8
347.20093	4.8
357.18533	18.8
361.17981	3.4
369.17017	2.0
373.18073	2.3
375.19592	12.9
377.20322	1.3
385.18018	6.0
387.19009	1.5
389.21124	25.7
399.19495	4.0
403.19031	10.8
405.20276	1.8
407.22186	9.1
417.20563	18.5
421.19949	1.6
435.21698	19.3
436.21594	1.3
437.22327	1.6
453.22806	4.1
463.21222	2.6
477.22659	4.6
495.23636	7.0
503.31079	1.1
537.24658	3.7
553.73962	1.2
555.25775	2.3
574.11749	1.1
597.27173	1.5
640.02881	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.28
Annotation	Rohituka-13
Peak:m/z	Relative Intensity
50.14630	6.0
50.46703	6.5
53.03944	11.2
55.01875	8.4
55.05507	19.1
57.63079	6.0
67.05497	24.2
69.03441	62.5
69.07081	12.2
79.05505	44.6
81.03429	9.0
81.07052	24.0
83.01351	9.5
83.04967	38.6
91.05479	53.7
93.07040	45.6
95.04982	39.1
95.08615	19.9
97.06543	9.8
98.20757	12.0
103.05479	20.8
105.03334	6.2
105.07040	87.1
107.04961	14.6
107.08598	22.0
109.06528	15.7
109.10126	8.6
115.05441	19.9
115.18055	6.7
117.07021	28.8
119.05013	7.4
119.08598	72.0
121.06494	19.6
121.10155	16.5
123.04344	5.8
125.05941	7.0
128.06236	16.4
129.06982	20.9
131.04910	30.5
131.08583	46.6
133.06465	39.2
133.10161	37.2
135.08078	30.7
142.07759	23.7
143.08594	45.1
145.06494	23.3
145.10147	42.4
147.08052	38.6
149.05934	7.3
149.09625	31.0
151.07535	8.1
152.06206	6.5
155.08551	28.2
156.09323	29.7
157.06532	7.5
157.10150	69.1
158.07253	8.8
159.08051	27.4
159.11711	14.4
161.05962	25.4
161.09622	28.8
163.07565	17.4
163.11188	13.2
165.09041	7.3
167.08482	9.3
167.10722	7.2
169.10130	39.8
170.10896	26.6
171.08109	33.9
171.11717	100.0
172.08826	7.5
172.12411	6.7
173.09590	46.5
173.13286	11.2
175.07591	16.8
175.11183	10.3
177.09106	15.1
179.07040	19.4
179.08571	17.8
179.10686	6.7
180.09348	10.6
181.10114	18.3
183.08090	14.8
183.11734	75.3
184.08798	7.6
185.09648	30.2
185.13263	76.7
187.07503	9.6
187.11186	25.2
191.08542	6.7
191.10715	9.9
192.09433	6.5
193.08629	10.0
193.10152	16.5
194.10922	6.9
195.11720	27.0
197.09608	28.7
197.13257	25.8
198.10397	16.9
199.11166	48.9
201.09187	8.3
201.12724	15.9
203.08696	8.1
205.10201	7.6
206.10907	9.3
207.06482	6.6
207.11713	22.6
209.09737	7.7
209.13264	23.6
211.11185	23.2
213.09154	6.5
213.12750	91.9
215.10634	12.1
215.14334	7.4
217.10172	8.1
217.12177	16.6
218.11099	8.6
219.11690	13.3
220.12408	10.6
221.13203	16.8
221.15247	8.7
223.11205	16.8
223.14795	11.6
225.12788	11.8
229.10225	9.4
229.12216	16.3
230.10950	11.6
231.11752	16.2
231.13863	17.4
232.12549	13.8
233.13304	19.1
234.10416	9.3
235.11226	11.7
235.14799	19.3
237.12823	13.4
241.12170	17.2
243.11676	15.4
243.13821	18.3
244.12563	17.3
245.13504	14.1
245.15446	26.4
246.14096	10.8
247.11209	10.4
247.14948	11.1
249.12720	10.6
251.10872	8.0
255.11554	10.0
255.13899	13.8
256.12381	9.7
257.13229	19.4
258.13904	14.9
259.15128	14.4
261.12778	22.5
261.16437	9.9
262.13690	9.9
263.09811	6.5
263.14313	9.0
265.12210	12.7
269.13229	9.2
270.13882	14.1
271.14832	17.0
272.11981	8.6
272.15601	8.0
273.12341	6.7
273.14844	17.8
275.14212	8.5
275.17615	5.8
277.12326	11.4
277.15546	8.8
277.45840	6.1
281.15533	8.1
285.12695	11.0
287.14383	14.4
287.17926	12.7
289.15631	12.5
291.12781	8.3
291.15695	30.8
296.15594	6.6
301.15866	17.2
303.13815	11.7
303.17365	19.2
313.15799	8.4
315.17368	12.0
317.18912	7.4
321.18280	9.7
327.17328	9.9
329.18936	7.9
331.16971	18.7
333.18494	14.7
335.16284	7.8
341.15063	7.9
343.16803	6.1
345.18365	25.2
347.16437	11.7
349.17953	17.3
351.19540	9.8
355.16132	18.1
359.16476	33.7
363.19537	24.1
373.18173	41.3
375.19559	9.5
377.17279	24.1
377.21399	11.8
389.16931	8.8
389.21365	9.2
391.19150	51.6
393.20435	10.2
401.17422	26.7
405.20459	21.1
407.18051	8.4
409.20190	24.5
411.21570	9.2
415.18924	7.3
417.19797	7.4
419.18564	52.4
421.20190	15.7
423.21817	31.5
433.20169	46.7
437.19525	38.4
441.22784	10.4
451.21262	69.3
469.22516	45.9
479.20767	9.9
483.23785	7.9
511.29172	13.6
529.24402	6.5
537.24640	16.3
615.27814	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	615.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	13.9
55.01873	13.8
55.05509	33.4
67.05501	22.6
69.03435	58.1
69.07076	11.4
79.05495	31.2
81.03417	24.1
81.07043	13.1
83.05001	42.1
85.06520	5.8
91.05489	67.8
91.54951	6.4
93.07043	35.0
95.01345	21.0
95.04987	32.8
95.08599	10.6
97.06539	11.0
98.21503	14.8
103.05479	20.4
105.03437	6.7
105.07036	73.8
107.04977	14.6
107.08606	25.0
109.06523	20.5
115.05450	27.1
116.06237	11.3
117.07024	40.6
119.04957	14.6
119.08590	64.1
121.02844	6.4
121.06517	31.1
121.10159	12.7
123.08104	11.0
125.60094	5.7
128.06221	21.7
129.07005	25.0
130.07848	14.0
131.04941	24.2
131.08583	32.2
133.06506	49.7
133.10132	36.5
134.07283	12.8
135.04417	6.3
135.08051	16.3
137.06007	7.5
137.09579	7.7
141.07031	12.7
142.07805	23.5
143.08559	52.4
145.06471	37.7
145.10130	24.6
147.08032	41.9
149.06081	13.1
149.09642	15.9
152.06078	7.4
153.06984	11.7
154.07739	10.0
155.08560	40.2
156.09355	40.0
157.06551	8.6
157.10149	64.3
158.07338	7.5
159.08061	61.4
159.11726	23.0
161.05989	81.4
161.09631	31.7
162.06775	25.2
163.07565	17.3
165.06995	15.2
165.09091	16.7
167.08562	19.6
167.10654	15.3
168.09393	10.5
169.06499	7.4
169.10144	35.7
170.10915	35.5
171.08055	42.0
171.11676	100.0
172.08826	12.8
173.06000	12.5
173.09677	37.8
173.13240	14.4
175.07564	11.0
175.11240	11.3
177.05493	16.9
178.07748	7.1
179.07028	6.3
179.08604	10.1
180.09314	7.4
181.10152	22.1
183.08075	23.2
183.11710	71.7
184.08868	10.8
185.09689	36.8
185.13231	72.3
186.10420	7.4
187.07576	21.5
187.11252	23.8
189.05440	14.8
189.09210	11.8
189.12715	8.3
190.06317	8.5
191.08534	10.2
192.09360	9.3
193.10129	20.3
194.10892	7.3
195.08133	11.7
195.11681	24.4
196.08855	7.4
197.09705	30.6
197.11473	5.4
197.13249	30.5
198.10461	8.4
199.07565	16.1
199.11214	51.5
200.08289	7.8
200.11922	7.9
201.09160	8.8
201.12791	24.0
203.10783	8.4
206.05934	7.5
206.10997	11.8
207.06213	6.3
207.11673	19.4
209.09685	13.1
209.13362	9.1
211.07558	10.8
211.11221	21.8
213.09222	28.8
213.12729	91.7
214.13205	6.4
215.10692	12.9
215.14313	6.7
217.08539	10.3
217.12193	10.3
221.13301	20.2
223.11195	18.3
225.09125	9.4
225.12711	10.7
227.10732	13.6
228.07677	11.9
229.12257	17.6
230.06053	6.3
231.13873	15.5
233.13361	8.4
233.15292	9.2
235.11188	12.8
235.14809	11.1
237.12700	12.1
239.10716	13.0
241.12291	12.5
243.13892	9.3
245.08054	16.9
245.13289	8.6
245.15364	26.0
247.11105	10.1
247.15094	7.9
249.12769	16.9
253.12296	7.9
255.13821	15.1
257.13370	6.8
259.11017	12.7
259.13211	14.2
261.12756	12.9
270.14020	11.2
271.11050	7.8
271.14780	9.5
272.12070	7.4
273.12466	12.2
273.14963	25.5
274.13602	8.7
275.14438	9.3
277.12247	8.8
281.15375	11.1
287.14343	9.8
288.11566	7.0
289.16080	8.3
291.16095	16.4
297.12881	13.5
299.14154	17.0
301.12375	9.7
301.15771	10.4
303.12537	6.8
305.15314	7.8
313.12357	10.2
313.15945	19.8
314.12979	7.3
315.13788	10.1
315.17233	16.2
317.15381	10.7
325.15460	8.9
327.17560	8.0
329.15356	9.6
329.19177	9.2
330.16052	10.8
331.16913	11.0
335.16476	8.4
341.15320	13.6
343.16959	17.8
345.18454	13.2
357.18494	11.9
359.16483	20.8
361.17987	9.2
371.19858	7.2
373.17834	17.6
374.18762	10.4
375.19904	8.1
377.17453	11.2
385.16321	16.1
387.18173	9.5
389.21381	10.4
390.18024	8.4
391.18839	12.7
401.17422	8.2
402.18234	19.3
417.20779	14.5
419.18167	11.1
420.19388	11.6
433.20096	15.8
434.20612	6.8
435.21609	14.8
451.21115	9.9
462.20300	28.8
512.24036	7.4
525.37274	6.2
547.22662	6.6
553.23810	7.6
565.23914	9.1
566.24774	11.8
581.27393	18.8
583.25433	12.3
597.26923	23.5
614.41418	7.1
615.27869	12.4
615.39868	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	615.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66557	2.5
53.03939	6.4
55.01872	9.3
55.05294	3.5
55.05514	32.6
65.03928	3.4
67.05511	15.0
69.03433	43.6
69.05563	3.2
69.07066	8.8
74.51374	3.4
79.05493	23.7
81.03434	3.3
81.07065	22.3
83.04984	51.3
84.67593	2.9
91.05486	49.7
93.07048	33.4
95.04967	30.3
95.08611	21.0
97.06539	12.6
103.05479	47.7
105.07030	51.8
107.04942	9.2
107.08617	32.6
107.79222	3.1
109.06539	9.0
109.10167	5.6
115.05460	7.6
116.06273	4.8
117.07010	15.9
119.04976	4.2
119.08595	59.1
119.09432	2.7
121.06494	11.4
121.10136	16.9
123.08082	9.6
125.06040	4.1
128.06218	10.9
129.07018	18.5
130.07794	3.7
131.04938	100.0
131.08586	32.8
133.06491	13.4
133.10144	27.6
135.08060	15.3
135.11697	6.1
137.09630	5.2
141.07021	8.8
142.07774	14.1
143.08601	28.2
145.06494	13.9
145.10146	27.4
147.08060	32.8
147.11694	9.0
149.06001	5.4
149.09608	19.3
151.07581	5.5
151.11279	3.6
154.07846	3.5
155.08588	17.3
156.09334	18.3
157.10152	50.1
159.08061	22.5
159.11674	27.5
161.06001	15.2
161.09633	29.8
161.13252	5.5
163.07587	11.7
163.11206	9.1
165.06961	8.9
165.09154	6.8
166.07817	3.6
167.08577	10.8
167.10716	4.5
168.09378	6.0
169.10133	29.3
170.10907	14.0
171.08069	18.1
171.11699	58.7
172.08778	3.6
173.09615	20.5
173.13281	13.7
175.07518	6.1
175.11230	10.7
177.09119	8.4
179.07086	5.9
179.08543	7.5
179.10594	4.8
180.09428	4.9
181.10069	16.3
182.10910	6.7
183.08055	9.9
183.11711	51.2
184.08749	5.6
185.09633	18.5
185.13292	39.7
187.07571	5.3
187.11180	20.6
187.14857	4.4
189.05525	3.9
189.09024	5.6
191.08578	3.5
191.10596	4.2
192.09438	4.7
193.08568	5.9
193.10136	13.4
194.10921	6.3
195.11696	31.0
196.08929	3.2
196.12447	5.3
197.09677	10.2
197.13258	26.3
198.10387	10.3
199.07571	3.1
199.11177	32.5
201.09154	6.3
201.12813	12.2
203.10620	4.2
203.14236	4.0
204.09511	4.3
205.10211	6.6
206.10916	9.0
207.11705	19.8
208.12483	7.4
209.09529	8.7
209.13300	15.4
210.10316	4.3
211.11131	19.6
211.14883	7.7
213.09181	3.7
213.12755	68.3
215.10657	8.3
215.14366	7.6
217.10149	10.0
217.12154	4.0
218.10861	6.4
219.11691	12.2
220.12456	9.3
221.09601	4.3
221.13312	17.9
221.15244	3.9
223.11185	11.6
223.14883	14.0
225.12761	12.8
227.14272	4.4
229.10286	6.3
229.12256	9.1
230.10944	6.1
231.11693	10.0
231.13795	7.5
232.12444	7.1
233.13361	15.1
233.15334	6.3
234.14110	8.4
235.11153	8.1
235.14807	14.6
237.12764	12.0
237.16367	9.2
239.14301	7.0
240.09265	3.6
241.12283	8.9
243.11662	9.1
243.13934	9.9
244.12515	7.5
245.13290	13.7
245.15495	11.3
247.11035	5.9
247.14853	13.3
248.15611	5.8
249.12752	7.3
249.16438	12.1
251.14398	6.6
251.17894	4.0
253.12311	4.3
253.15889	4.2
255.13811	6.2
256.12546	7.0
257.13223	8.9
258.14114	7.8
259.14804	13.3
260.15582	9.1
261.12701	9.1
261.16409	7.4
263.10486	4.0
263.14526	5.4
265.15903	5.3
267.17545	4.4
270.14105	5.7
271.14777	12.3
272.15439	6.3
273.12634	6.1
273.14679	16.0
274.13275	4.6
274.17249	5.2
275.14294	9.6
275.17950	7.3
277.15857	3.8
283.14771	6.1
285.16479	8.7
287.14252	9.3
287.17709	5.1
289.16074	5.3
289.19427	8.1
291.13559	4.1
291.17041	4.2
293.15421	4.0
295.13794	4.1
297.15897	3.8
298.13498	5.1
299.14255	5.3
301.12451	4.0
301.15829	10.7
303.17413	10.2
305.15527	4.3
307.20358	4.8
312.15057	4.2
313.15860	5.9
315.17377	9.4
317.15378	4.9
317.18939	4.0
321.15005	5.0
321.18723	5.3
327.17252	10.6
329.19003	4.4
331.16907	13.6
333.18445	6.3
335.20175	3.9
337.21695	11.2
345.18402	14.4
347.16251	6.1
349.17993	12.8
349.25241	4.4
355.16629	6.1
359.16211	15.1
359.20160	4.2
359.23798	7.7
361.17960	4.4
361.21725	4.4
363.19556	7.7
365.17398	5.9
367.22403	6.7
371.20193	16.1
373.18332	20.2
375.19513	4.8
377.17453	10.6
377.24777	44.5
389.21207	16.4
391.19180	20.9
393.20673	3.8
395.25946	37.8
401.17566	9.1
405.20612	5.4
407.22354	6.1
409.19861	6.8
419.18436	16.8
421.20084	7.8
423.21719	8.9
433.20090	19.3
437.19550	12.2
437.26678	6.2
451.21286	20.8
455.28055	40.7
467.23865	4.7
469.22189	19.5
483.23599	5.5
511.23148	4.0
527.30023	4.9
555.25781	4.9
615.29669	6.1
615.40436	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	615.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66557	2.5
53.03939	6.4
55.01872	9.3
55.05294	3.5
55.05514	32.6
65.03928	3.4
67.05511	15.0
69.03433	43.6
69.05563	3.2
69.07066	8.8
74.51374	3.4
79.05493	23.7
81.03434	3.3
81.07065	22.3
83.04984	51.3
84.67593	2.9
91.05486	49.7
93.07048	33.4
95.04967	30.3
95.08611	21.0
97.06539	12.6
103.05479	47.7
105.07030	51.8
107.04942	9.2
107.08617	32.6
107.79222	3.1
109.06539	9.0
109.10167	5.6
115.05460	7.6
116.06273	4.8
117.07010	15.9
119.04976	4.2
119.08595	59.1
119.09432	2.7
121.06494	11.4
121.10136	16.9
123.08082	9.6
125.06040	4.1
128.06218	10.9
129.07018	18.5
130.07794	3.7
131.04938	100.0
131.08586	32.8
133.06491	13.4
133.10144	27.6
135.08060	15.3
135.11697	6.1
137.09630	5.2
141.07021	8.8
142.07774	14.1
143.08601	28.2
145.06494	13.9
145.10146	27.4
147.08060	32.8
147.11694	9.0
149.06001	5.4
149.09608	19.3
151.07581	5.5
151.11279	3.6
154.07846	3.5
155.08588	17.3
156.09334	18.3
157.10152	50.1
159.08061	22.5
159.11674	27.5
161.06001	15.2
161.09633	29.8
161.13252	5.5
163.07587	11.7
163.11206	9.1
165.06961	8.9
165.09154	6.8
166.07817	3.6
167.08577	10.8
167.10716	4.5
168.09378	6.0
169.10133	29.3
170.10907	14.0
171.08069	18.1
171.11699	58.7
172.08778	3.6
173.09615	20.5
173.13281	13.7
175.07518	6.1
175.11230	10.7
177.09119	8.4
179.07086	5.9
179.08543	7.5
179.10594	4.8
180.09428	4.9
181.10069	16.3
182.10910	6.7
183.08055	9.9
183.11711	51.2
184.08749	5.6
185.09633	18.5
185.13292	39.7
187.07571	5.3
187.11180	20.6
187.14857	4.4
189.05525	3.9
189.09024	5.6
191.08578	3.5
191.10596	4.2
192.09438	4.7
193.08568	5.9
193.10136	13.4
194.10921	6.3
195.11696	31.0
196.08929	3.2
196.12447	5.3
197.09677	10.2
197.13258	26.3
198.10387	10.3
199.07571	3.1
199.11177	32.5
201.09154	6.3
201.12813	12.2
203.10620	4.2
203.14236	4.0
204.09511	4.3
205.10211	6.6
206.10916	9.0
207.11705	19.8
208.12483	7.4
209.09529	8.7
209.13300	15.4
210.10316	4.3
211.11131	19.6
211.14883	7.7
213.09181	3.7
213.12755	68.3
215.10657	8.3
215.14366	7.6
217.10149	10.0
217.12154	4.0
218.10861	6.4
219.11691	12.2
220.12456	9.3
221.09601	4.3
221.13312	17.9
221.15244	3.9
223.11185	11.6
223.14883	14.0
225.12761	12.8
227.14272	4.4
229.10286	6.3
229.12256	9.1
230.10944	6.1
231.11693	10.0
231.13795	7.5
232.12444	7.1
233.13361	15.1
233.15334	6.3
234.14110	8.4
235.11153	8.1
235.14807	14.6
237.12764	12.0
237.16367	9.2
239.14301	7.0
240.09265	3.6
241.12283	8.9
243.11662	9.1
243.13934	9.9
244.12515	7.5
245.13290	13.7
245.15495	11.3
247.11035	5.9
247.14853	13.3
248.15611	5.8
249.12752	7.3
249.16438	12.1
251.14398	6.6
251.17894	4.0
253.12311	4.3
253.15889	4.2
255.13811	6.2
256.12546	7.0
257.13223	8.9
258.14114	7.8
259.14804	13.3
260.15582	9.1
261.12701	9.1
261.16409	7.4
263.10486	4.0
263.14526	5.4
265.15903	5.3
267.17545	4.4
270.14105	5.7
271.14777	12.3
272.15439	6.3
273.12634	6.1
273.14679	16.0
274.13275	4.6
274.17249	5.2
275.14294	9.6
275.17950	7.3
277.15857	3.8
283.14771	6.1
285.16479	8.7
287.14252	9.3
287.17709	5.1
289.16074	5.3
289.19427	8.1
291.13559	4.1
291.17041	4.2
293.15421	4.0
295.13794	4.1
297.15897	3.8
298.13498	5.1
299.14255	5.3
301.12451	4.0
301.15829	10.7
303.17413	10.2
305.15527	4.3
307.20358	4.8
312.15057	4.2
313.15860	5.9
315.17377	9.4
317.15378	4.9
317.18939	4.0
321.15005	5.0
321.18723	5.3
327.17252	10.6
329.19003	4.4
331.16907	13.6
333.18445	6.3
335.20175	3.9
337.21695	11.2
345.18402	14.4
347.16251	6.1
349.17993	12.8
349.25241	4.4
355.16629	6.1
359.16211	15.1
359.20160	4.2
359.23798	7.7
361.17960	4.4
361.21725	4.4
363.19556	7.7
365.17398	5.9
367.22403	6.7
371.20193	16.1
373.18332	20.2
375.19513	4.8
377.17453	10.6
377.24777	44.5
389.21207	16.4
391.19180	20.9
393.20673	3.8
395.25946	37.8
401.17566	9.1
405.20612	5.4
407.22354	6.1
409.19861	6.8
419.18436	16.8
421.20084	7.8
423.21719	8.9
433.20090	19.3
437.19550	12.2
437.26678	6.2
451.21286	20.8
455.28055	40.7
467.23865	4.7
469.22189	19.5
483.23599	5.5
511.23148	4.0
527.30023	4.9
555.25781	4.9
615.29669	6.1
615.40436	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	615.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66557	2.5
53.03939	6.4
55.01872	9.3
55.05294	3.5
55.05514	32.6
65.03928	3.4
67.05511	15.0
69.03433	43.6
69.05563	3.2
69.07066	8.8
74.51374	3.4
79.05493	23.7
81.03434	3.3
81.07065	22.3
83.04984	51.3
84.67593	2.9
91.05486	49.7
93.07048	33.4
95.04967	30.3
95.08611	21.0
97.06539	12.6
103.05479	47.7
105.07030	51.8
107.04942	9.2
107.08617	32.6
107.79222	3.1
109.06539	9.0
109.10167	5.6
115.05460	7.6
116.06273	4.8
117.07010	15.9
119.04976	4.2
119.08595	59.1
119.09432	2.7
121.06494	11.4
121.10136	16.9
123.08082	9.6
125.06040	4.1
128.06218	10.9
129.07018	18.5
130.07794	3.7
131.04938	100.0
131.08586	32.8
133.06491	13.4
133.10144	27.6
135.08060	15.3
135.11697	6.1
137.09630	5.2
141.07021	8.8
142.07774	14.1
143.08601	28.2
145.06494	13.9
145.10146	27.4
147.08060	32.8
147.11694	9.0
149.06001	5.4
149.09608	19.3
151.07581	5.5
151.11279	3.6
154.07846	3.5
155.08588	17.3
156.09334	18.3
157.10152	50.1
159.08061	22.5
159.11674	27.5
161.06001	15.2
161.09633	29.8
161.13252	5.5
163.07587	11.7
163.11206	9.1
165.06961	8.9
165.09154	6.8
166.07817	3.6
167.08577	10.8
167.10716	4.5
168.09378	6.0
169.10133	29.3
170.10907	14.0
171.08069	18.1
171.11699	58.7
172.08778	3.6
173.09615	20.5
173.13281	13.7
175.07518	6.1
175.11230	10.7
177.09119	8.4
179.07086	5.9
179.08543	7.5
179.10594	4.8
180.09428	4.9
181.10069	16.3
182.10910	6.7
183.08055	9.9
183.11711	51.2
184.08749	5.6
185.09633	18.5
185.13292	39.7
187.07571	5.3
187.11180	20.6
187.14857	4.4
189.05525	3.9
189.09024	5.6
191.08578	3.5
191.10596	4.2
192.09438	4.7
193.08568	5.9
193.10136	13.4
194.10921	6.3
195.11696	31.0
196.08929	3.2
196.12447	5.3
197.09677	10.2
197.13258	26.3
198.10387	10.3
199.07571	3.1
199.11177	32.5
201.09154	6.3
201.12813	12.2
203.10620	4.2
203.14236	4.0
204.09511	4.3
205.10211	6.6
206.10916	9.0
207.11705	19.8
208.12483	7.4
209.09529	8.7
209.13300	15.4
210.10316	4.3
211.11131	19.6
211.14883	7.7
213.09181	3.7
213.12755	68.3
215.10657	8.3
215.14366	7.6
217.10149	10.0
217.12154	4.0
218.10861	6.4
219.11691	12.2
220.12456	9.3
221.09601	4.3
221.13312	17.9
221.15244	3.9
223.11185	11.6
223.14883	14.0
225.12761	12.8
227.14272	4.4
229.10286	6.3
229.12256	9.1
230.10944	6.1
231.11693	10.0
231.13795	7.5
232.12444	7.1
233.13361	15.1
233.15334	6.3
234.14110	8.4
235.11153	8.1
235.14807	14.6
237.12764	12.0
237.16367	9.2
239.14301	7.0
240.09265	3.6
241.12283	8.9
243.11662	9.1
243.13934	9.9
244.12515	7.5
245.13290	13.7
245.15495	11.3
247.11035	5.9
247.14853	13.3
248.15611	5.8
249.12752	7.3
249.16438	12.1
251.14398	6.6
251.17894	4.0
253.12311	4.3
253.15889	4.2
255.13811	6.2
256.12546	7.0
257.13223	8.9
258.14114	7.8
259.14804	13.3
260.15582	9.1
261.12701	9.1
261.16409	7.4
263.10486	4.0
263.14526	5.4
265.15903	5.3
267.17545	4.4
270.14105	5.7
271.14777	12.3
272.15439	6.3
273.12634	6.1
273.14679	16.0
274.13275	4.6
274.17249	5.2
275.14294	9.6
275.17950	7.3
277.15857	3.8
283.14771	6.1
285.16479	8.7
287.14252	9.3
287.17709	5.1
289.16074	5.3
289.19427	8.1
291.13559	4.1
291.17041	4.2
293.15421	4.0
295.13794	4.1
297.15897	3.8
298.13498	5.1
299.14255	5.3
301.12451	4.0
301.15829	10.7
303.17413	10.2
305.15527	4.3
307.20358	4.8
312.15057	4.2
313.15860	5.9
315.17377	9.4
317.15378	4.9
317.18939	4.0
321.15005	5.0
321.18723	5.3
327.17252	10.6
329.19003	4.4
331.16907	13.6
333.18445	6.3
335.20175	3.9
337.21695	11.2
345.18402	14.4
347.16251	6.1
349.17993	12.8
349.25241	4.4
355.16629	6.1
359.16211	15.1
359.20160	4.2
359.23798	7.7
361.17960	4.4
361.21725	4.4
363.19556	7.7
365.17398	5.9
367.22403	6.7
371.20193	16.1
373.18332	20.2
375.19513	4.8
377.17453	10.6
377.24777	44.5
389.21207	16.4
391.19180	20.9
393.20673	3.8
395.25946	37.8
401.17566	9.1
405.20612	5.4
407.22354	6.1
409.19861	6.8
419.18436	16.8
421.20084	7.8
423.21719	8.9
433.20090	19.3
437.19550	12.2
437.26678	6.2
451.21286	20.8
455.28055	40.7
467.23865	4.7
469.22189	19.5
483.23599	5.5
511.23148	4.0
527.30023	4.9
555.25781	4.9
615.29669	6.1
615.40436	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	615.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.6
55.01874	18.7
55.05503	11.6
57.03444	5.1
57.07084	3.2
62.39148	2.4
65.03918	3.8
67.05517	15.6
69.03415	7.3
69.07065	6.1
79.05503	26.5
80.38531	2.9
81.03426	22.2
81.07045	11.1
83.01305	2.7
83.04985	16.9
91.05496	35.6
93.07043	22.1
95.01315	5.4
95.04981	36.1
95.08615	13.9
96.91334	2.7
97.02892	6.3
97.06529	5.7
103.05481	31.6
105.03389	7.5
105.04529	3.5
105.06391	4.8
105.07045	76.3
106.07384	4.0
107.04961	11.6
107.08590	11.1
109.06533	21.7
111.04433	3.8
115.05456	27.2
117.07038	26.1
118.64395	2.5
119.04955	7.0
119.08585	23.3
121.06499	17.2
121.10143	12.0
123.04459	6.3
123.08045	14.6
125.05991	4.9
128.06244	18.5
129.07043	32.5
131.04939	52.8
131.08574	29.3
133.06514	61.1
133.10136	13.1
135.04408	9.4
135.08051	13.3
137.06036	14.3
141.07030	20.1
142.07811	14.6
143.08580	41.0
145.06509	28.8
145.10129	18.1
146.07193	4.8
147.04370	3.4
147.08084	21.4
147.11728	4.6
149.05974	8.5
149.09610	10.0
151.07585	24.7
153.06990	8.7
154.07780	11.0
155.08578	22.1
156.09393	15.0
157.06517	26.0
157.10143	43.4
158.07285	13.3
158.10518	3.8
159.08083	29.5
159.11667	11.0
160.08704	4.5
161.05998	100.0
161.09581	12.5
163.07582	13.6
163.11119	4.7
165.05643	4.2
165.07024	15.9
166.07762	9.1
167.08563	19.0
167.10701	9.7
168.05789	2.9
168.09290	6.9
169.06477	10.2
169.10146	39.5
170.10815	9.2
171.08080	31.2
171.11699	39.3
172.08722	6.8
173.05997	7.2
173.09689	22.8
173.13277	6.5
174.09924	7.3
174.56898	2.5
175.07561	11.7
175.11258	6.7
177.09084	4.1
178.07817	5.7
179.07054	13.7
179.08574	15.0
180.09309	9.0
181.06502	5.7
181.10172	18.0
182.07262	5.7
182.10878	3.7
183.08066	22.1
183.11699	17.7
184.08871	15.4
185.06082	4.5
185.09639	28.6
185.13243	13.6
187.07550	8.6
187.11142	9.6
188.11606	3.8
189.09123	8.2
189.12708	7.6
191.06982	6.1
191.08553	3.4
192.09464	6.0
193.04971	3.4
193.10123	12.1
194.11012	3.1
195.08109	13.1
195.09903	2.9
195.11627	14.8
196.08786	7.9
197.06017	5.1
197.09631	43.8
197.13214	6.0
198.10335	6.7
199.07518	8.9
199.09479	5.8
199.11209	75.6
199.14922	3.8
200.11607	5.9
201.09137	12.1
201.12720	12.1
202.07713	6.1
202.12988	3.5
203.06886	3.1
203.08595	4.9
203.10547	5.0
203.14246	2.8
205.10191	6.7
207.08095	5.9
207.11711	12.2
209.09621	12.8
209.13205	9.7
210.10275	5.9
211.07549	11.0
211.11172	14.5
213.09178	24.0
213.12718	24.9
214.13101	8.2
215.08727	6.7
215.10657	16.8
217.08517	3.5
217.12172	19.9
218.10791	4.2
218.12630	10.0
219.11758	4.6
221.09573	10.6
221.13313	6.3
221.15237	5.8
223.07620	6.7
223.11229	20.1
225.09135	39.3
225.12685	7.9
227.10721	14.7
227.14302	3.7
229.08382	5.3
229.10349	4.4
229.12288	8.9
230.10892	6.9
231.09950	4.4
231.11845	5.8
232.08823	3.7
232.12456	3.7
233.09645	8.1
233.15349	5.0
234.10397	3.6
235.11142	10.9
235.14882	7.5
237.09079	5.8
237.12775	8.4
239.06812	4.5
239.10660	9.0
241.08591	9.5
241.12244	6.4
243.09850	13.2
245.09628	6.6
245.11630	6.0
245.13620	4.2
246.12047	7.8
247.11122	4.8
247.13206	5.1
249.09128	9.4
251.10674	8.9
253.08521	3.8
253.12251	7.2
253.16049	3.7
255.10037	15.8
257.11728	8.1
258.10349	3.5
259.13321	8.2
260.13779	4.8
263.10712	3.5
263.14310	4.9
270.13913	3.8
271.09470	15.2
273.11115	4.1
273.12817	4.2
275.12894	5.8
281.11731	8.1
283.09418	3.2
285.10980	15.0
286.13528	5.4
287.14136	3.1
289.15872	3.0
291.13641	6.0
297.12396	3.2
298.13055	4.9
299.14075	3.9
301.10721	5.2
301.15845	5.7
302.16309	3.7
303.12500	4.8
303.17358	3.7
305.15552	4.4
309.14798	7.4
313.12268	3.5
313.15857	5.9
314.12921	3.1
315.13367	5.2
316.14783	3.2
317.15411	3.4
319.12198	4.3
325.12033	3.6
329.15234	5.9
331.17017	10.0
333.14612	3.8
337.14386	4.7
339.13174	3.6
341.15329	4.5
345.14651	4.0
347.16473	5.0
349.17902	7.1
355.13251	4.1
357.14377	5.6
359.16220	4.1
371.19977	3.9
373.14221	13.4
375.15863	5.3
377.17520	34.4
385.14267	7.5
393.20648	3.5
395.18497	16.3
403.15387	8.5
407.22284	4.5
417.17209	5.7
431.14920	5.2
433.16440	5.2
435.17648	3.6
445.16312	3.2
463.17627	20.7
481.18582	25.0
495.20181	4.2
502.26825	4.7
505.25723	4.1
506.26318	37.4
513.20447	3.8
520.27710	5.9
534.29523	3.8
566.28217	3.5
597.57953	3.6
615.40240	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	615.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
57.03434	1.2
58.99583	9.2
67.05498	0.8
69.03410	2.0
69.07069	2.4
70.78652	1.6
70.78988	0.8
71.15396	0.6
76.02231	51.5
76.04000	2.8
79.05509	3.9
85.02907	3.6
86.99045	2.5
88.02184	0.8
93.07040	0.7
97.02875	1.1
97.06535	68.5
98.97569	2.5
110.97551	0.8
116.01679	14.6
119.83465	0.7
125.05987	2.2
127.03931	1.3
130.05116	0.9
143.06981	0.6
144.01149	9.0
145.04961	0.9
147.04411	1.0
154.06886	0.9
158.99693	1.2
161.08090	1.4
162.02211	31.6
177.00745	1.0
179.04861	100.0
181.04510	0.7
190.04945	1.4
201.00642	0.9
208.91048	0.7
219.01747	3.2
237.02869	2.2
243.62361	0.7
257.09637	1.9
275.10614	10.1
289.06058	0.7
290.13693	0.8
319.07016	1.8
337.08176	1.3
342.10785	4.6
342.60703	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
54.89945	1.8
55.01872	2.1
55.05514	21.3
57.03447	15.8
57.07066	3.6
67.05507	51.8
69.07079	22.4
69.21458	16.7
71.08632	2.6
79.05502	24.3
80.45518	1.8
81.03423	70.0
81.06579	3.6
81.07063	57.4
83.04980	6.9
83.08622	22.7
85.06555	1.9
85.10196	2.2
89.06035	2.9
91.05492	21.6
93.07040	23.5
95.04969	20.4
95.08614	41.0
97.02889	3.8
97.06525	6.3
97.10181	8.6
99.97302	1.9
105.07034	18.2
106.21986	1.7
107.04937	5.8
107.08600	11.8
109.06523	4.0
109.10157	19.6
111.08096	6.3
117.07008	3.9
119.08597	16.6
121.06572	3.4
121.10169	13.3
123.11719	7.6
125.09633	3.9
126.41500	1.7
129.07008	7.6
131.08586	9.8
133.06512	3.6
133.10114	14.1
135.08041	2.8
135.11713	6.4
137.13312	2.2
142.07733	2.0
143.08635	2.4
145.10123	5.6
147.11678	8.4
149.09604	4.4
149.13245	3.5
151.11177	4.0
157.10091	9.8
159.51991	1.8
161.13261	3.4
171.11650	2.4
175.11234	9.0
175.14830	2.1
179.10681	4.2
182.69359	2.2
193.12241	20.3
227.12737	3.8
245.22771	3.1
263.23694	4.7
266.43857	1.8
267.15930	100.0
303.26868	2.7
320.25946	2.2
337.27390	90.0
415.25574	1.9
437.34363	2.7
455.35086	5.1
473.36703	2.1
529.38910	85.3
547.40039	34.1
614.30664	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	614.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05269	1.2
55.05512	13.7
57.03439	6.0
57.07077	6.9
67.05510	35.3
69.07069	30.0
70.17874	1.0
71.04985	1.1
71.08636	2.2
71.29392	2.3
79.05498	7.9
81.07058	41.2
83.08624	19.8
85.06534	1.9
87.04463	1.2
88.41808	0.9
89.06037	8.8
91.05469	2.3
93.07041	7.4
95.08613	49.3
97.06531	2.2
97.10185	14.8
99.08138	1.8
105.07034	3.3
107.08588	4.0
109.10161	16.8
111.11708	4.5
117.06977	1.2
117.32662	1.0
119.08595	4.0
119.13798	1.0
121.10142	6.8
123.08049	1.6
123.11716	5.6
125.09690	1.4
130.08728	1.5
133.08615	3.9
133.10110	2.6
135.11693	6.0
137.09645	1.3
137.13243	2.2
147.11694	2.2
149.13275	2.2
149.96040	1.1
151.14806	1.1
161.13217	2.6
163.13411	1.0
165.12749	1.5
165.42984	1.0
175.14725	1.4
177.11241	2.3
179.14314	1.5
217.19574	2.6
235.20644	3.5
245.57173	1.1
253.21365	1.6
327.25311	100.0
415.25418	4.6
453.17926	1.2
455.80737	1.2
464.44708	1.2
579.46210	70.8
614.48328	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	614.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00814	11.4
55.01863	17.1
55.05498	23.1
60.43892	9.7
69.21280	100.0
74.08186	9.1
79.05482	11.9
81.03430	11.0
81.07103	11.4
83.05000	49.6
91.05467	12.9
93.07068	10.9
105.07032	22.7
107.08581	11.3
115.05506	10.5
119.08606	20.3
131.08537	16.1
133.10103	18.0
145.10092	14.4
147.08051	45.5
156.78185	9.5
157.10110	17.8
159.08063	14.1
161.09598	34.6
163.07614	15.6
171.11708	34.3
173.09642	13.2
183.11700	18.8
184.12114	11.0
185.09712	10.9
185.13272	16.4
192.83220	11.5
213.12776	29.7
227.55479	13.1
245.15414	18.2
299.14505	12.1
307.30646	9.9
312.23276	11.2
358.24277	10.4
359.20020	16.6
370.24277	10.0
405.20691	13.9
419.22076	33.3
437.23059	26.3
497.25140	18.4
552.66718	11.2
558.97040	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	614.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01872	3.6
55.05511	30.4
57.03435	12.2
57.07078	8.5
59.05003	3.1
65.03925	2.2
67.05507	66.7
69.07071	16.8
69.54972	12.9
71.04970	2.6
71.08628	3.9
73.06557	1.8
79.05495	34.3
81.03417	3.7
81.07058	50.4
83.04979	7.6
83.08623	10.6
85.02899	6.0
85.06539	2.6
85.10178	2.0
87.04481	10.3
89.06033	100.0
91.05479	19.0
91.46432	1.7
93.07040	32.4
95.04976	3.3
95.08607	29.8
97.06517	4.5
97.10182	14.9
105.07031	14.2
107.04937	1.9
107.08598	21.7
109.06513	2.5
109.10155	34.2
117.07027	7.5
119.08582	11.8
121.10126	12.3
125.08807	2.6
125.09590	12.5
130.08678	2.1
131.07054	2.7
131.08574	7.1
133.08600	63.8
133.10155	5.7
135.07990	2.5
135.11676	7.2
137.09657	3.1
145.10130	5.9
147.11678	3.6
149.13280	2.9
155.10690	2.8
157.10040	3.1
159.11676	4.2
161.13211	3.6
163.11153	3.3
171.11674	2.2
173.11745	7.6
173.13168	2.8
177.11217	27.6
199.13287	7.7
209.11653	2.5
221.13873	6.1
229.14391	24.0
239.14816	1.9
243.21056	2.4
261.22137	7.8
283.17581	2.4
301.16309	8.2
319.17529	2.2
327.19952	3.4
335.25748	49.9
371.22583	3.5
415.25366	34.9
460.41510	2.5
462.14124	2.3
477.35803	8.8
489.35498	5.1
554.10132	1.8
561.37671	3.6
614.27460	3.3
614.39465	2.6
614.48108	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	614.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	25.0
57.07070	9.4
57.86168	3.8
65.03946	4.8
67.05518	6.4
69.51118	23.5
70.06589	15.4
71.80942	3.3
79.05509	8.9
83.04982	37.2
83.66963	3.7
88.07636	15.2
88.45199	3.9
91.05487	16.4
93.07033	7.6
94.55957	3.6
95.04994	4.8
98.20794	9.2
102.09175	16.8
103.05450	9.9
104.05811	7.3
105.03376	5.7
105.07030	16.3
106.07457	4.6
117.07014	12.2
119.08597	19.8
128.06250	4.7
129.07014	10.3
131.04906	20.2
131.08572	11.1
132.05293	4.7
132.08926	4.2
133.06544	4.6
133.10141	12.8
135.08041	7.1
143.08575	11.8
145.06461	5.1
145.10120	11.4
147.08066	34.6
149.02374	39.2
149.09613	4.2
156.09375	8.5
157.10094	15.9
159.08020	15.6
159.11658	8.6
161.05977	7.0
161.09612	18.0
162.06406	5.9
163.07549	8.5
169.10101	5.3
170.10844	6.0
171.08087	6.1
171.11656	23.7
173.09679	13.5
175.07545	9.2
181.10054	4.5
183.11737	13.1
185.09671	7.3
185.13245	17.4
187.11197	5.9
193.04991	51.8
193.09982	5.8
195.11681	4.8
197.09750	5.3
197.13280	6.2
198.10347	5.2
199.11179	16.7
200.11578	4.5
201.12825	5.6
207.11687	6.6
211.11154	4.8
213.12717	22.2
214.13153	7.0
221.13130	7.0
223.11044	4.4
223.14908	4.2
231.13826	5.4
245.11620	5.9
245.15475	13.4
246.15819	4.7
255.14024	5.0
256.26364	32.3
257.13080	4.9
259.13272	11.4
273.14899	8.6
274.15430	4.8
275.14267	4.2
287.14688	4.7
291.15915	8.0
298.13199	4.5
299.14316	5.2
313.07117	5.1
327.17444	6.5
328.17703	6.5
341.06665	7.5
345.18613	7.6
359.20389	4.9
376.19571	5.2
385.09177	44.3
386.18140	6.7
386.45047	3.8
387.19516	5.1
401.21213	6.2
404.19086	4.4
405.20496	5.9
406.50186	5.0
418.21066	4.8
419.22366	18.7
437.23282	17.8
456.55139	4.4
465.22910	7.5
497.25497	6.0
530.46722	4.1
537.28333	6.1
597.30505	17.2
614.24249	5.3
614.33392	100.0
615.23468	7.7
622.18146	4.9
632.13043	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	614.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
53.39918	0.7
55.05513	8.5
56.05832	1.0
57.07080	5.9
58.06590	1.7
59.05000	1.2
67.05511	1.7
69.03429	1.0
70.06591	14.0
71.08656	1.5
71.55849	1.3
79.05497	1.9
81.03436	1.4
81.07058	1.5
83.04986	17.1
84.05332	2.7
85.10178	1.4
88.07635	17.0
90.95813	0.8
91.05468	4.7
92.05833	0.9
92.85121	0.7
93.07056	2.6
95.04995	2.7
95.08630	2.4
102.09180	13.4
103.05475	2.0
105.03403	13.3
105.04532	1.7
105.07059	4.0
106.03767	2.8
106.07382	1.1
107.08632	2.3
108.08940	0.9
109.06577	1.4
115.05459	1.1
117.06998	1.2
119.08572	8.2
120.08953	1.8
121.10170	1.6
129.07043	1.9
131.04918	3.8
131.08582	1.3
133.06543	1.0
133.10187	3.3
134.10558	0.9
135.08119	0.8
142.07805	0.9
143.08607	2.4
145.06496	1.0
145.10175	2.1
147.08054	5.8
148.08394	1.4
149.02348	34.8
149.09787	1.3
155.08604	1.0
157.10159	2.7
158.10501	1.2
159.08133	1.1
159.11758	2.0
161.09688	3.0
169.10126	1.4
170.11009	1.0
171.08112	0.7
171.11703	4.1
172.12161	2.2
173.09763	1.2
173.13313	1.0
180.09258	0.8
181.10168	1.5
181.75197	0.8
182.10670	0.9
183.11783	2.2
184.12155	1.2
185.09692	1.4
185.13358	2.4
186.13666	1.4
193.04976	42.4
195.11671	1.8
196.12253	1.6
197.09804	1.7
197.13377	2.4
198.13623	1.6
199.11270	1.0
200.11650	1.1
201.12773	0.9
207.11728	1.4
208.12387	1.2
212.15250	1.1
213.12788	2.2
214.13225	0.9
221.13199	1.2
222.13777	1.2
223.11320	1.2
223.14803	1.1
224.15404	0.8
225.12885	1.0
232.12250	1.0
235.14757	1.1
236.15462	0.9
245.13239	1.0
245.15611	1.2
246.13666	1.1
256.26349	35.9
261.16476	0.9
269.04575	1.6
278.83829	1.0
284.11865	0.9
285.13098	1.0
288.14850	1.1
297.04050	2.2
298.13461	1.3
299.13998	1.1
301.05304	0.9
312.14828	1.1
313.07242	3.1
313.16034	1.1
314.16513	2.5
335.20236	1.0
336.20264	4.4
341.06592	8.6
353.18896	1.3
354.19388	1.6
359.07602	6.2
364.23459	1.5
366.25439	2.2
371.20303	1.9
372.20700	1.9
375.23410	2.5
376.23557	8.2
385.09186	44.5
393.24472	3.2
394.24603	10.9
453.26694	1.1
454.26715	6.3
573.39050	0.9
614.33539	100.0
615.33972	2.1
636.45837	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16830	3.1
53.03947	12.0
55.01879	5.3
55.05516	38.8
55.57067	3.4
56.05833	5.6
65.03921	5.1
67.05509	20.9
69.03416	8.3
69.07062	12.2
70.06602	5.4
73.02963	3.5
79.05499	27.6
81.03396	4.7
81.07059	39.3
83.04990	50.5
83.08635	3.8
84.05329	6.6
85.02914	4.0
91.05491	35.7
93.07048	54.3
94.35845	3.3
95.04961	25.0
95.08614	36.1
97.06558	20.0
105.03404	64.3
105.07044	42.5
106.07397	4.4
107.04980	7.3
107.08605	31.5
108.09003	3.3
109.06521	17.0
109.10164	10.5
111.08034	5.4
113.23365	3.1
115.05470	6.9
117.07024	13.7
119.08597	51.4
121.06525	50.0
121.10178	21.2
123.08041	25.1
126.05522	8.7
128.06255	7.1
129.07053	18.8
130.07777	5.9
131.08571	36.3
133.06502	11.8
133.07448	3.4
133.10146	37.1
134.10509	4.5
135.04378	3.6
135.08038	19.0
135.11575	3.6
136.06181	3.6
137.05984	5.4
137.09589	3.7
141.06984	6.1
142.07800	18.8
143.08575	37.8
145.06499	14.2
145.10141	55.4
147.08047	27.8
147.11673	6.9
149.05977	7.4
149.09586	18.6
151.07579	4.7
153.06952	5.4
155.08540	18.0
156.09314	29.3
157.10129	72.1
158.07253	6.1
159.08057	26.9
159.11713	40.5
161.06000	11.6
161.09666	29.6
163.07547	7.0
163.11211	8.0
165.07027	12.4
165.09187	5.2
166.07782	3.7
167.08578	13.9
168.09319	12.5
169.10138	39.3
170.10910	18.4
171.08109	11.3
171.11696	97.7
172.08623	6.1
172.12291	10.6
172.63188	3.6
173.09630	31.0
173.13275	26.7
175.07623	5.9
175.11197	11.4
177.09065	5.5
179.08537	15.2
179.10579	5.0
180.09302	7.6
181.10141	17.1
182.07211	4.6
182.10910	15.9
183.08057	15.4
183.11708	70.5
184.08846	6.4
184.12221	8.2
185.09663	21.8
185.13243	37.4
186.13762	5.7
187.11188	25.7
187.14815	8.9
189.09119	14.0
189.12820	5.9
192.09262	7.0
193.10220	17.1
194.10875	8.8
195.08131	5.6
195.11711	70.8
196.08772	3.9
196.12112	4.3
197.09599	14.9
197.13272	43.0
198.10335	11.0
198.13814	3.9
199.11194	40.8
199.14873	8.5
200.11882	8.4
201.09128	13.6
201.12746	26.6
203.10675	15.1
203.14128	4.2
206.10893	7.6
207.11732	22.9
208.12344	5.5
209.09662	6.5
209.13287	19.9
210.10460	5.7
211.11182	22.4
211.14859	5.2
213.09486	3.8
213.12769	63.5
214.13199	8.1
215.10669	8.9
215.14326	29.8
217.10301	7.3
217.12263	11.2
217.24353	3.8
218.10770	3.9
219.11722	11.1
219.13704	4.5
220.12427	11.0
221.13385	21.2
222.13824	5.2
223.11169	13.7
223.14844	16.4
225.12744	17.2
227.10695	4.0
227.14294	5.7
229.12328	11.3
230.10779	5.5
231.11621	16.0
231.13850	37.8
232.12350	5.7
233.13220	15.2
233.15376	5.2
234.14211	5.7
235.11290	6.8
235.14850	13.1
236.15529	4.1
237.12708	7.6
237.16382	9.2
238.13159	3.9
239.14276	6.5
241.12291	7.3
243.11647	9.8
243.13805	58.1
245.13345	8.3
245.15396	10.3
246.13863	7.3
247.11107	8.1
247.14822	13.4
249.12741	6.4
249.16499	18.4
251.14372	8.2
251.18036	5.4
253.12398	6.5
253.15990	6.0
255.13857	6.8
258.13889	8.0
259.13037	19.0
260.15646	6.9
261.12613	6.1
261.14517	17.8
263.14359	8.6
263.18018	14.4
265.15903	11.1
265.19528	5.2
267.17514	9.7
273.12592	6.7
273.16348	19.8
275.18066	17.9
277.15906	7.8
279.13785	6.7
279.17569	5.7
281.15359	5.8
283.17126	5.4
289.15765	4.5
291.14594	3.7
291.17450	23.9
293.19086	18.0
295.17017	8.4
297.15121	5.5
303.17432	10.5
309.18488	20.2
311.20251	18.9
321.18481	62.1
339.19562	100.0
341.21393	4.1
357.20709	72.0
358.19019	3.9
375.21631	6.6
376.20050	4.4
390.36935	3.8
403.19269	6.5
421.20105	8.7
431.21210	4.2
436.21594	5.0
439.21356	8.6
457.22153	10.3
461.23730	7.7
479.24243	15.9
497.25174	9.7
614.29108	5.8
615.33319	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	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03940	2.1
55.01863	1.2
55.05268	1.0
55.05513	11.8
57.03448	4.0
57.07068	3.2
65.03949	1.5
67.05507	34.3
69.06727	0.8
69.07072	12.4
71.04990	1.7
71.08622	0.9
79.05492	19.8
81.07058	35.0
83.04966	1.5
83.08625	6.1
85.06551	1.2
91.05486	15.3
93.07047	23.6
95.04963	1.9
95.08607	30.8
97.06536	2.4
97.10165	3.7
99.08084	1.1
103.05450	0.7
105.07030	17.9
107.08598	16.9
109.06487	0.7
109.10151	16.5
111.08080	1.3
111.11703	1.1
117.07018	5.7
119.08575	17.0
121.10148	14.3
123.08118	0.8
123.11715	7.0
125.09712	0.8
129.07018	2.5
131.08572	12.1
133.10139	13.5
135.11688	10.7
137.09622	0.9
137.13257	2.7
143.08556	3.9
145.10117	9.6
145.11156	0.9
147.11682	9.8
149.09593	0.7
149.13246	6.7
151.11261	0.8
155.08488	1.4
157.10101	4.1
159.11694	10.9
161.13272	7.4
163.11145	0.7
163.14836	2.6
167.08679	0.6
169.10129	1.6
171.11696	4.2
173.13284	6.7
175.14822	4.0
177.16437	1.5
181.10254	0.7
183.11766	1.8
185.13205	3.5
187.14806	3.9
189.16451	1.9
191.17920	1.1
197.13297	1.8
199.14803	3.6
201.16414	2.3
203.17915	1.5
211.88596	0.6
213.16496	1.6
215.18015	1.3
217.19568	1.0
227.18077	1.2
229.19557	1.2
229.52289	0.7
231.21317	0.8
239.18130	0.8
241.19595	2.1
243.21158	2.1
252.12057	0.7
259.20517	5.3
261.22174	7.5
263.23666	1.3
273.22137	1.4
277.21811	0.9
279.23105	0.9
299.24118	1.0
301.25385	1.0
313.25311	1.4
315.23074	0.7
317.24753	1.4
325.25269	0.8
333.24219	4.8
335.25800	13.6
337.27396	8.4
355.29932	1.0
361.27646	0.7
366.11115	0.7
369.31857	0.7
415.32013	0.9
424.43054	0.8
489.36032	1.9
491.37524	0.7
503.37289	0.9
517.38824	1.1
521.43683	4.4
529.38989	1.5
539.44672	2.2
543.40308	1.1
595.47235	10.0
613.48242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03941	2.2
55.01869	0.9
55.05515	15.2
57.03443	4.6
57.07083	4.2
61.92952	0.7
65.03946	1.7
66.53347	0.7
67.05509	43.7
69.07071	16.4
71.05003	1.3
73.88274	0.7
79.05495	24.4
79.47209	0.7
81.07063	48.3
83.04977	1.5
83.08628	8.3
83.48180	0.8
85.06544	1.9
91.05486	19.7
93.07050	31.6
95.04984	2.0
95.08615	37.6
97.06541	1.8
97.10142	3.9
99.08110	1.5
105.07037	23.8
107.07868	1.2
107.08601	20.5
107.09299	1.5
109.06541	1.6
109.10168	20.6
111.08061	0.8
111.57206	0.7
113.09619	0.9
117.07030	8.2
119.08591	20.9
121.10144	15.3
123.08083	1.5
123.11716	8.7
125.09648	0.9
128.06258	0.9
129.07004	4.0
131.08580	17.9
133.10156	16.3
133.10931	0.4
135.11713	11.0
137.13287	2.3
141.07008	1.7
143.08574	5.6
145.10129	16.9
147.11707	13.9
149.13268	6.6
151.14897	1.2
155.08597	1.5
157.10129	5.8
158.10858	0.9
159.11720	12.1
159.86807	0.6
161.13252	7.8
163.11214	0.9
163.14874	3.6
165.16386	0.7
169.10164	2.7
171.11696	4.6
173.13268	10.6
175.14838	4.9
177.16423	1.5
181.10074	0.9
183.11740	2.2
185.13220	4.4
187.14838	6.2
189.16397	2.2
191.17943	1.1
197.13292	1.7
199.14888	3.5
201.16435	2.9
203.18088	0.9
209.13313	0.8
213.16447	2.0
215.18007	2.3
217.19589	1.6
220.28104	0.7
225.16623	0.8
227.18121	1.4
229.19678	1.0
229.53477	0.8
231.21169	1.2
233.19020	0.8
239.17961	1.4
241.19603	2.7
243.21170	2.5
257.19009	1.0
259.20596	7.0
261.22150	9.0
263.23846	1.2
263.87634	0.7
273.22153	1.3
285.22052	1.5
295.22827	0.9
299.23822	1.6
301.25000	1.0
303.23392	1.0
309.24243	0.9
313.25519	1.3
317.24835	1.2
323.25858	1.2
327.23279	0.9
327.26993	1.0
333.24313	6.5
335.25836	13.5
337.27423	7.2
341.28528	1.1
347.25610	0.8
349.27805	0.7
355.29880	1.5
403.32794	0.9
491.37488	0.9
503.37271	1.9
505.39331	1.0
517.38660	0.9
521.43512	3.6
539.44641	2.3
543.40436	1.5
595.47290	11.0
613.48279	100.0
614.48511	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	613.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.9
55.01870	17.4
55.05271	2.4
55.05514	33.0
55.49094	2.1
67.05499	7.7
69.03434	6.6
69.07058	3.5
71.56402	3.2
79.05504	12.0
81.03413	9.9
81.07060	16.2
83.04989	47.1
85.06580	2.1
88.39825	2.1
91.05489	38.3
93.07037	9.5
95.04983	24.7
95.08585	5.6
97.06541	3.9
98.97577	4.1
103.05470	6.9
105.04516	2.5
105.07037	26.1
107.04972	7.2
107.08610	14.9
109.06518	9.3
109.10142	5.6
115.03970	3.4
115.05440	12.9
116.06229	3.7
117.07016	23.8
119.04886	3.5
119.08587	61.0
119.26418	2.0
121.06528	9.8
121.10159	9.4
123.08037	2.5
128.06248	10.7
129.07011	29.3
130.07799	3.6
131.00243	2.3
131.04930	7.3
131.08568	27.3
132.05728	3.9
133.06494	4.4
133.10147	14.6
135.08061	8.7
135.11739	3.0
141.07002	5.5
142.07771	8.3
143.08554	16.6
144.05690	2.9
144.09390	5.1
145.06487	23.9
145.10141	26.7
147.08057	100.0
147.11652	4.2
149.09613	15.4
153.06999	4.2
154.07762	5.6
155.08572	9.2
156.09340	10.3
157.06470	3.9
157.10141	40.0
158.07288	4.5
158.10835	2.5
159.08072	55.8
159.11696	44.2
161.09647	26.5
163.07568	34.5
165.07054	3.3
167.08502	3.2
168.09418	3.9
169.10139	24.8
170.10965	4.2
171.08069	6.9
171.11716	28.9
172.08824	3.1
173.06006	7.8
173.09637	31.7
173.13264	14.2
175.07515	11.4
175.11188	6.5
177.05537	3.1
177.09135	4.7
179.08553	5.1
181.10138	4.9
183.08070	2.9
183.11707	58.4
184.08865	3.1
185.09651	11.9
185.13252	13.7
187.07512	3.9
187.11205	22.1
189.09163	3.1
191.10704	3.2
192.09450	3.5
193.10162	8.3
195.11685	8.9
197.09621	10.6
197.13301	4.6
199.11224	13.1
201.09134	8.9
201.12801	22.5
203.10590	3.1
205.12190	3.4
206.10898	6.1
207.11649	12.9
208.12233	3.5
209.09639	6.6
209.13391	4.1
211.11194	15.5
213.12752	5.9
215.10707	5.4
217.10265	3.4
217.12221	4.6
218.10837	5.3
219.11800	4.4
220.12440	3.8
221.13275	10.0
222.10454	3.9
223.11185	9.8
223.14928	3.5
225.12743	4.6
227.10648	6.9
229.10274	3.7
229.12251	19.6
230.10973	2.8
231.09995	2.6
231.11942	3.4
231.13838	3.3
233.09534	3.4
233.13382	3.8
233.15416	8.5
235.11110	6.2
235.14902	2.6
237.12711	8.2
239.10616	3.9
239.14307	3.8
243.11676	3.8
243.13808	11.1
245.11507	3.1
247.11032	5.8
247.13072	4.1
249.12755	7.7
251.14296	4.1
256.12311	4.1
257.11475	2.9
259.10995	3.4
259.13345	7.4
261.12622	5.1
261.14972	21.0
263.14374	5.7
267.13806	3.1
271.14948	4.0
272.15463	2.3
273.12701	7.3
285.12775	7.6
286.13516	4.1
287.14362	4.8
289.14194	4.0
299.14410	6.8
300.15060	4.3
301.12408	3.1
301.15982	5.4
305.15179	2.9
309.12799	4.0
313.15866	5.9
314.16635	3.9
315.14191	3.1
315.17416	14.7
317.18066	4.8
325.15958	3.2
329.18933	18.6
331.16797	3.8
333.18417	7.8
343.16965	5.4
347.20059	9.1
357.18359	18.3
361.17694	4.7
369.17206	3.7
375.19189	14.3
385.18005	6.1
389.21094	19.8
403.19049	12.5
407.22263	20.0
417.20575	14.0
421.19928	5.0
425.23224	8.5
435.21634	25.7
453.22900	9.4
495.23331	2.9
553.26917	4.6
581.27313	3.4
612.38965	2.5
613.27814	7.2
613.39020	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	613.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.8
54.90696	3.3
55.01864	13.5
55.05273	3.8
55.05517	61.5
64.10714	3.4
67.05495	14.1
68.14939	3.3
69.03416	13.3
69.07063	5.7
69.28149	3.5
76.49894	3.4
79.05489	17.9
81.03395	12.8
81.07046	12.6
83.04988	94.1
91.05493	43.9
93.07064	26.6
95.04973	15.4
95.08615	8.8
97.06553	3.7
103.05464	14.2
105.07043	42.8
105.15699	3.9
107.04958	9.1
107.08612	21.7
109.06512	9.2
109.10101	4.6
115.05456	14.0
117.07028	29.3
119.04962	5.1
119.08586	54.7
121.06496	12.9
121.10111	13.6
128.06235	15.0
129.07039	21.3
130.07771	3.9
131.04941	9.7
131.08572	29.3
133.06503	21.5
133.10158	37.8
135.08076	19.7
137.09618	3.9
141.07008	11.7
142.07770	19.9
143.08580	39.3
145.06448	19.0
145.10143	24.4
147.08072	88.6
147.11697	6.3
149.09619	13.8
153.07014	5.3
155.06091	4.4
155.08571	16.1
156.09377	24.6
157.06531	5.0
157.10138	44.1
158.07245	6.3
159.08092	25.6
159.11693	13.8
161.05992	15.0
161.09628	45.1
163.07559	37.7
163.11209	6.8
165.06995	11.2
165.09108	5.6
167.08545	8.8
168.09320	4.6
169.10149	28.1
170.10901	18.3
171.08055	12.9
171.11705	95.0
173.05994	5.8
173.09645	20.1
173.13264	14.6
175.07556	13.1
175.11154	12.2
177.09142	7.3
179.08530	8.7
179.10735	5.2
180.09389	8.3
181.10126	12.0
182.10890	6.8
183.08096	8.6
183.11717	54.0
185.09641	17.5
185.13272	64.3
187.07565	6.0
187.11293	16.7
187.14893	4.3
189.05484	4.9
189.09099	7.2
191.07037	4.1
193.10162	10.5
195.11748	19.7
197.09647	15.6
197.13242	22.7
198.10435	9.8
199.11191	30.0
200.11961	5.5
201.09117	7.1
201.12723	20.1
203.08885	4.3
203.10727	7.7
203.14371	5.7
204.09529	4.0
206.10822	5.5
207.11705	14.8
208.12469	6.5
209.09659	4.9
209.13266	7.8
210.10490	5.2
211.11235	16.8
213.09172	5.6
213.12762	100.0
215.08737	4.7
215.10678	10.3
215.14317	12.3
217.10168	10.5
217.12161	6.6
218.10924	4.1
219.11784	8.3
221.09683	6.5
221.13228	11.0
222.10410	4.1
223.11154	14.3
223.14836	4.9
225.09331	5.1
225.12781	9.3
227.10670	6.9
227.14232	5.4
229.12404	18.1
230.10870	5.3
231.11821	7.2
231.13831	14.5
232.12502	7.9
233.13309	4.9
234.13982	4.5
235.11328	4.3
235.14780	8.2
237.12932	8.0
239.10699	5.7
241.12244	18.7
243.11728	8.0
243.13811	22.1
245.13239	9.7
245.15405	24.7
247.11108	3.9
247.15091	6.2
249.12683	8.5
251.14200	7.2
253.12224	4.2
255.11668	4.2
255.13887	9.5
259.10995	5.8
259.13214	7.9
261.12595	4.8
261.14929	3.9
263.10394	5.4
265.12354	3.7
270.14087	6.5
271.14786	5.8
272.11887	5.2
273.14816	40.0
275.13425	3.9
283.14789	6.2
284.15536	4.8
287.14444	8.0
291.15994	9.8
298.17114	4.7
299.14264	7.2
299.17706	4.3
301.15848	4.5
303.17529	5.9
313.15637	7.8
314.13043	3.9
314.16827	5.2
315.13821	4.6
315.17371	8.5
317.15189	5.4
319.16879	4.7
323.13977	4.9
327.13846	4.5
327.17444	6.0
329.18948	8.2
331.16910	7.0
333.18341	11.0
342.16083	4.3
343.16837	15.0
343.20544	6.6
345.18378	8.6
347.19925	10.5
353.18839	5.9
357.18427	15.2
359.20120	8.0
361.17892	12.2
361.21832	6.2
371.20007	20.3
375.19553	22.0
377.21335	4.4
385.18008	16.4
389.21155	33.0
393.20560	6.7
403.19107	25.7
407.22153	14.6
417.20282	12.6
421.20090	16.3
423.21704	4.5
435.21707	23.6
449.23154	8.0
453.22626	13.9
465.22516	4.5
481.22107	5.5
581.27405	4.7
613.29718	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01858	3.6
55.05266	4.0
55.05515	60.8
55.40834	2.5
55.62755	2.6
55.81576	2.9
60.32586	2.5
67.05505	7.6
69.03420	3.7
79.05492	15.6
81.03426	3.3
81.07056	6.5
83.04990	100.0
91.05481	18.5
93.07037	10.1
95.04990	9.0
95.08624	5.2
98.21555	4.1
105.07043	35.2
107.04999	2.7
107.08620	9.4
109.06516	7.8
109.10122	3.1
115.05459	8.2
117.07028	19.9
119.08591	27.7
121.06521	4.7
121.10138	6.1
123.18549	3.1
128.06204	5.8
129.07002	13.1
131.08606	17.0
133.06497	18.7
133.10143	26.6
135.08064	12.7
141.07016	6.3
142.07829	4.3
143.08578	20.7
144.35237	2.9
145.06482	20.0
145.10158	16.3
147.08044	11.6
149.09575	9.3
151.07489	2.9
155.08595	11.7
156.09358	16.9
157.06635	3.6
157.10124	27.3
158.24380	2.8
159.08080	13.3
159.11736	14.3
159.96378	2.8
161.05978	26.7
161.09624	18.3
163.07553	18.7
163.11159	4.7
165.07011	5.1
168.09337	4.1
169.10117	14.2
170.10938	9.8
171.08095	9.5
171.11714	57.5
173.05992	7.7
173.09604	19.9
173.13161	4.7
173.81853	3.0
175.07594	8.4
175.11224	6.1
177.09119	11.2
179.08571	4.5
179.10738	3.4
181.10168	9.7
182.10745	3.9
183.08051	6.4
183.11688	37.7
184.08754	4.3
185.09618	12.7
185.13258	52.2
187.07616	3.4
187.11189	13.8
189.05472	7.3
189.09106	12.5
191.07109	4.3
192.09279	3.6
193.10153	5.5
194.10893	3.4
195.08006	4.3
195.11719	11.4
197.09538	5.5
197.13292	12.1
198.10497	7.2
199.11214	23.1
200.12038	4.1
201.09070	5.7
201.12730	9.9
205.10281	3.8
205.12169	4.6
206.10867	3.9
207.11752	7.1
208.12505	3.7
209.09677	5.5
209.13222	5.8
211.11197	12.3
213.09296	3.1
213.12759	54.2
215.08751	3.7
215.10728	9.9
215.14297	4.1
217.12213	4.2
219.11736	3.8
220.12492	4.9
221.13272	5.8
222.14024	3.6
223.11143	8.1
223.14783	3.3
225.09111	5.5
225.12706	3.8
227.10722	4.8
229.12260	9.2
229.66786	3.8
230.10925	7.0
231.11865	4.8
231.13876	8.9
233.13419	5.7
234.10371	3.4
235.14897	4.8
237.12677	5.3
241.12193	8.9
243.11789	5.1
243.13864	10.2
244.12546	4.3
245.11574	4.2
245.15419	17.6
247.11148	4.3
249.12805	3.7
255.13855	10.3
258.13989	5.2
259.10907	3.2
259.15125	3.6
261.12714	4.8
269.11539	3.3
271.14859	3.9
272.15579	3.4
273.12872	2.7
273.14828	27.9
275.12897	4.6
283.14832	3.5
285.12756	6.2
285.16382	6.0
287.14246	6.4
287.17972	3.3
291.16010	8.5
295.16882	3.4
297.16537	3.8
299.14328	6.1
299.17865	3.1
300.14938	5.1
301.12292	3.7
301.15805	4.8
303.14124	4.0
310.13480	3.3
313.15912	4.5
315.13947	5.6
315.17572	12.5
317.15179	5.4
319.16882	3.6
329.19073	6.1
331.16885	8.1
333.14951	3.7
333.18475	12.3
339.17279	4.7
343.17026	18.8
345.18542	5.3
347.20145	7.0
352.14743	3.2
357.18585	24.2
361.17944	11.8
373.18082	8.4
375.19550	21.9
385.13705	3.2
385.18036	19.6
387.20230	3.3
389.21399	7.6
393.20694	4.2
399.19217	3.1
403.19000	22.4
405.20544	6.4
407.22223	8.3
417.01721	3.2
417.20639	23.0
421.19952	11.4
435.21796	30.7
453.22934	15.7
481.22388	4.1
495.23886	7.1
513.24561	3.5
581.27710	4.6
595.28986	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	613.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.01863	6.4
55.05515	63.1
67.05514	4.4
69.03423	7.7
69.07063	4.4
71.97129	1.8
78.38416	2.3
79.05496	14.5
81.03418	3.4
81.07076	5.8
83.04987	100.0
88.10748	2.2
91.05479	22.4
93.07046	12.7
95.04984	10.6
97.06512	2.6
98.21552	3.0
103.05471	4.5
105.06395	2.9
105.07043	34.1
107.04907	2.2
107.08618	14.1
109.06512	9.4
115.05453	9.4
117.07033	22.6
119.08585	24.4
121.06505	6.0
121.10128	7.7
128.06219	7.1
129.07001	8.1
130.07726	2.3
131.04958	3.6
131.08582	18.7
133.06494	15.2
133.10135	23.0
135.08066	14.0
137.05965	2.4
141.06993	5.5
142.07794	10.6
143.08560	20.6
145.06490	21.9
145.10133	19.0
147.08073	19.4
147.11607	2.9
149.05968	2.4
149.09612	9.3
153.06947	3.7
155.08575	10.5
156.09357	18.1
157.10147	31.7
159.08043	15.0
159.11668	12.2
161.06009	24.8
161.09576	17.9
161.13324	2.5
163.07562	16.2
163.11256	3.5
165.06973	6.4
165.09116	4.3
166.07816	3.2
167.07211	2.1
167.08586	7.1
168.09325	2.3
169.10133	15.4
170.10828	10.6
171.08026	9.1
171.11705	51.5
172.08830	4.3
173.05992	9.9
173.09624	15.5
173.13229	8.0
175.07524	7.7
177.09142	15.1
177.10413	2.2
178.07855	2.8
179.08580	5.1
180.09282	3.6
181.10124	6.0
182.10760	2.5
183.08047	8.6
183.11705	38.6
184.12444	2.5
185.09685	10.6
185.13281	43.9
187.07588	5.2
187.11244	15.7
189.05405	6.7
189.09145	10.2
189.12769	2.6
189.64136	2.1
191.07060	4.6
191.10567	4.5
193.08604	2.4
193.10173	5.6
195.07986	4.2
195.11720	11.6
197.09610	11.0
197.13315	10.4
198.10385	4.3
199.11192	21.5
200.11960	4.1
201.09071	5.8
201.11061	2.4
201.12694	12.9
203.06877	2.8
203.14273	3.0
205.10304	3.1
205.12202	4.5
207.11697	8.7
207.13611	3.0
209.09627	4.9
209.13251	3.9
211.11185	8.9
213.09216	7.0
213.12738	48.6
215.08623	2.5
215.10609	5.1
216.09416	2.9
217.10258	3.8
217.12111	4.5
218.10822	2.3
219.11766	3.8
220.12613	2.9
221.13205	7.4
223.11160	6.6
225.09061	3.5
225.12698	3.3
227.10674	8.0
228.09358	2.4
229.12254	8.1
231.11838	4.6
231.13812	10.3
232.12361	3.1
233.13252	7.4
234.13930	3.3
235.11266	3.7
235.14806	6.4
237.12584	3.8
239.10771	3.4
241.12180	10.9
243.13841	4.9
244.12415	5.9
245.09503	3.0
245.11528	5.4
245.13499	4.3
245.15401	17.2
246.10387	3.2
246.14050	3.5
247.11044	3.3
247.13210	6.2
249.12766	4.9
253.10048	2.6
255.11597	3.3
255.13846	6.1
256.12494	3.7
257.13333	3.4
258.14001	3.1
259.10919	3.7
259.13181	6.5
260.15561	2.2
261.12564	4.7
261.16483	3.3
263.14252	5.0
265.12421	2.3
267.11652	2.5
268.12253	2.4
270.13971	3.3
271.10977	2.4
271.14944	4.6
272.15717	4.2
273.12390	4.2
273.14798	16.3
275.12775	6.3
277.15607	2.8
279.13879	4.6
279.17181	2.1
281.13293	3.1
285.12671	6.5
285.16284	3.3
286.13379	4.0
287.14322	6.2
287.17694	3.5
288.14816	3.3
291.16269	3.9
297.12723	3.0
297.16266	4.6
299.14233	5.1
300.15262	3.4
301.15942	4.1
301.19330	2.5
303.17395	5.2
305.15271	3.9
310.13608	2.7
311.17517	2.6
313.15884	5.9
314.16525	3.0
315.13852	4.3
315.17422	11.1
317.15564	4.9
317.18927	2.7
324.14725	3.3
325.15927	3.4
327.17294	4.6
329.15277	3.5
329.18921	8.0
331.16925	9.0
333.18414	8.0
339.17453	3.1
342.15939	2.6
343.16931	20.0
344.17642	2.8
345.18604	4.5
347.20090	4.2
349.17624	3.2
357.18506	26.4
359.16425	2.7
361.17838	9.7
373.17944	6.7
375.19659	20.2
385.18024	18.2
387.19525	3.9
389.21301	4.7
391.19186	3.1
393.20514	4.9
399.19385	5.2
403.18991	26.5
405.20694	5.1
407.22345	5.3
417.20578	25.6
421.20062	17.8
425.23141	2.9
435.21719	33.6
439.21729	2.9
453.22858	17.3
463.21332	2.5
477.22696	2.5
481.22229	3.8
490.69833	2.4
495.24207	10.5
513.24561	7.0
535.26758	2.5
595.28894	10.4
613.30298	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	613.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41948	3.0
53.03942	5.1
55.01864	5.9
55.05268	4.1
55.05513	61.5
60.12621	3.4
60.76363	2.5
61.06964	2.6
63.76866	2.6
64.83898	2.5
67.05493	7.4
69.03426	6.8
79.05500	13.8
81.07069	6.1
83.01324	3.3
83.04986	100.0
87.67309	2.8
91.05471	21.3
93.07067	14.1
95.04974	5.9
95.08600	5.5
103.05442	3.0
105.07034	38.1
107.08585	12.9
109.06506	7.7
111.18885	2.8
115.05454	9.7
117.07011	23.2
119.08598	23.3
121.06516	3.8
121.10176	6.9
128.06201	4.6
129.07069	4.6
130.07759	3.5
131.08583	17.0
133.06491	18.1
133.10150	19.0
135.08064	14.7
141.07028	5.3
142.07777	6.9
143.08578	17.1
145.06461	20.0
145.10143	13.9
147.08070	17.6
149.05911	3.1
149.09605	7.7
153.06985	2.8
154.07761	5.0
155.08566	9.0
156.09346	15.2
157.06477	4.6
157.10167	27.8
159.08057	19.9
159.11702	11.8
161.05994	29.8
161.09593	17.1
163.07549	18.9
163.11176	4.6
165.07014	6.0
165.09093	4.7
167.08531	7.0
169.10146	15.9
170.10919	14.1
171.08104	9.4
171.11690	56.7
173.06018	10.8
173.09663	18.3
173.13159	7.8
175.07498	7.6
175.11192	5.3
177.09100	12.0
179.06990	5.1
179.08488	3.7
181.08548	4.0
181.10117	7.5
182.10780	3.2
183.08067	7.1
183.11691	39.5
184.08826	4.6
185.09619	10.4
185.13257	54.1
187.07498	3.8
187.11169	13.9
189.05466	9.7
189.09122	11.7
191.10678	3.2
193.10149	7.3
195.11806	14.6
195.13257	3.0
197.09673	7.8
197.13316	9.4
198.10330	7.1
199.11209	25.6
201.09148	6.1
201.12862	14.7
203.08786	3.0
203.10632	3.7
206.10873	4.7
207.11726	6.4
209.09801	4.2
211.11174	11.5
213.09189	5.1
213.12744	57.1
215.10637	6.6
217.12299	5.4
219.11765	7.0
220.12361	3.3
221.13260	6.7
223.11140	7.0
223.14845	4.5
225.09097	5.5
225.12611	4.3
227.10674	4.6
229.08606	3.6
229.12259	5.3
230.10899	4.2
231.09991	3.6
231.11897	5.0
231.13811	8.0
233.13332	5.5
235.14749	4.0
239.10660	3.2
241.12257	11.5
243.13777	9.2
244.12392	5.8
245.13416	6.3
245.15446	21.2
247.11101	3.4
247.15045	4.8
249.08575	3.4
249.12851	4.1
253.12280	3.4
255.13719	8.7
257.13248	4.8
257.15634	4.0
259.13101	5.2
261.12592	4.9
271.14771	3.8
273.14917	21.0
282.14020	3.6
285.12817	4.5
285.16623	3.6
287.14188	4.3
287.17676	3.3
291.16171	5.5
295.17017	5.0
297.15994	4.0
299.14426	5.7
299.17865	3.5
303.17346	3.3
313.12259	4.3
313.15814	5.8
315.17346	6.5
317.15488	4.8
325.15561	5.6
326.16904	3.5
329.15335	5.5
329.18915	6.9
331.16937	14.7
333.18454	9.5
343.16937	19.1
344.17657	3.7
345.18558	6.9
347.20206	6.6
357.18591	22.1
361.17950	13.1
367.17044	3.7
375.19638	20.3
385.18024	16.6
391.19095	6.0
393.20602	4.2
399.19461	4.4
403.19043	26.6
405.20602	10.4
407.21954	5.6
417.20676	29.5
421.20102	15.5
435.21667	32.0
439.21460	3.6
453.22592	12.4
481.22223	4.4
495.23541	4.1
513.24890	5.1
581.27124	5.3
595.28693	10.4
613.30096	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	613.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37570	2.4
53.03938	3.8
55.01882	19.6
55.05515	39.1
55.34076	2.2
59.04991	2.5
64.77718	2.3
65.03925	3.6
65.28648	2.8
67.05514	14.6
69.03428	8.2
69.07043	3.5
69.18020	16.3
69.18450	10.7
79.05498	24.8
81.03435	23.2
81.07050	12.5
81.88922	2.4
83.04981	46.7
91.04971	3.8
91.05489	46.2
93.07059	18.6
95.04980	36.7
95.08606	10.2
103.05466	20.3
105.07040	39.6
107.04977	16.8
107.08605	14.7
109.06550	12.9
109.10156	3.6
115.05468	13.9
116.06226	5.2
117.07032	30.7
119.04963	2.4
119.08591	60.9
121.06498	10.5
121.10154	8.9
125.80163	2.5
128.06212	9.8
129.07021	32.4
130.07716	4.4
131.04939	33.6
131.08578	36.6
133.06502	14.5
133.10150	23.0
135.08084	13.5
135.11760	3.5
141.07008	6.9
142.07780	11.0
143.08601	29.4
145.06500	21.8
145.10130	27.1
147.08054	100.0
147.11635	3.5
149.09592	16.1
154.07764	3.2
155.08583	14.7
156.09341	14.3
157.10132	38.5
158.07259	5.3
159.08066	78.4
159.11703	39.4
161.06024	14.1
161.09633	27.5
163.07549	62.1
165.06940	6.2
166.07802	3.1
167.08554	6.7
168.09393	4.0
169.10133	31.1
170.10954	6.8
171.08084	13.8
171.11725	32.4
173.06018	5.5
173.09618	35.5
173.13254	13.4
175.07610	15.8
175.11172	6.9
177.09113	6.0
179.08592	6.1
181.06526	3.4
181.10118	11.1
182.07225	2.8
183.08054	7.2
183.11691	50.0
184.08781	4.3
185.09712	16.1
185.13286	22.6
187.07568	7.7
187.11218	22.3
189.09106	12.4
191.10678	6.8
192.09364	4.3
193.08598	3.2
193.10139	10.6
194.10863	4.1
195.08195	4.8
195.11761	12.0
196.08922	3.2
197.09601	16.6
197.13199	4.3
199.11201	23.1
201.09163	12.1
201.12747	21.8
203.10680	3.5
205.10257	3.6
206.10944	6.8
207.11775	9.4
209.09663	12.4
209.13258	7.6
210.10455	4.3
211.07506	4.3
211.11172	16.3
211.14838	5.3
213.09138	8.0
213.12762	11.2
215.08795	3.3
215.10643	13.0
217.10213	5.4
217.12257	7.6
218.10847	2.7
219.11723	4.9
219.13847	3.3
221.09610	3.3
221.13327	14.9
223.11305	14.1
223.14774	7.8
224.12009	3.6
224.47160	3.3
225.09180	5.8
225.12706	9.0
227.10695	8.4
227.14282	3.6
229.10168	4.8
229.12245	24.4
229.25755	3.0
231.09990	2.9
231.13757	5.8
232.12418	5.3
233.13266	7.1
233.15407	7.7
234.13896	3.2
235.11174	5.6
235.14813	6.8
236.12041	4.9
237.12756	12.8
237.16441	5.2
239.10666	6.4
239.14383	4.7
241.12299	6.6
243.11816	4.5
243.13878	6.4
244.12308	3.3
245.09576	4.6
245.11554	3.6
245.15437	5.2
246.10378	3.7
246.14043	4.4
247.11095	5.3
247.14903	8.1
249.12753	5.3
249.16377	3.8
251.14368	10.0
255.13992	3.7
257.11407	3.3
258.13989	3.7
259.13165	6.7
261.12518	5.5
261.14828	8.1
263.14297	7.0
265.12271	5.9
270.13980	3.1
271.13501	2.4
272.11761	3.4
272.15869	2.5
273.12720	6.3
275.14340	4.9
277.16003	3.3
279.13950	4.5
279.17215	4.8
285.12775	7.1
287.14175	4.0
289.14465	4.0
291.10010	3.1
291.13882	4.7
291.17395	3.0
293.15506	4.0
299.14313	7.0
300.14850	6.2
301.12112	3.7
301.15747	4.0
303.17307	4.5
313.15762	4.4
315.17413	18.2
317.15430	8.5
325.15405	3.8
327.17404	4.6
328.14560	2.9
329.18912	13.3
331.16940	6.4
333.18500	7.3
335.16541	3.1
343.16809	7.7
343.20499	3.7
345.18503	3.4
345.22223	7.9
347.20114	6.0
349.17886	5.0
355.20572	18.9
357.18448	19.4
361.18030	6.7
373.18146	3.5
373.21704	31.2
375.19461	16.7
377.17300	6.1
377.21341	6.3
385.17816	10.6
387.19571	7.1
389.21124	19.7
391.22620	7.8
395.18402	8.6
403.19006	9.3
405.20847	17.0
407.22415	16.0
409.20541	3.5
417.20468	14.1
421.19876	6.3
425.23334	3.2
433.24271	3.1
435.21768	32.2
441.26843	2.7
453.22653	12.4
465.23010	5.5
495.24036	3.6
581.27100	3.7
595.38116	2.8
613.26453	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	613.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44311	1.9
53.03944	6.3
55.01859	7.7
55.05272	4.1
55.05518	60.9
57.71849	2.2
63.30983	2.0
67.05508	3.5
69.03428	5.2
69.07061	3.0
69.40564	15.5
79.05495	15.6
81.03442	3.1
81.07052	5.2
83.04989	100.0
88.92019	2.0
91.05489	20.7
93.07047	10.8
95.04981	9.0
97.06544	4.0
103.05475	9.8
105.07044	38.1
107.08614	11.4
109.06520	4.6
115.05458	11.0
117.07044	22.3
119.04944	2.6
119.08594	24.4
121.06535	5.7
121.10132	5.4
123.07975	2.5
128.06218	7.5
129.07001	11.1
130.07753	2.4
131.04962	13.5
131.08575	16.1
133.06509	17.9
133.10152	21.7
135.08081	11.6
141.06996	5.6
142.07805	10.0
143.08580	17.4
145.06487	22.2
145.10138	16.4
146.07439	2.0
147.08058	15.4
147.11685	2.7
149.09605	8.1
153.06958	5.2
154.07736	2.2
155.08560	7.8
156.09399	15.9
157.10138	30.9
159.08047	10.7
159.11676	9.1
161.06003	26.3
161.09630	15.5
163.07582	19.6
163.11238	4.3
165.06995	4.9
165.09201	2.6
167.08588	4.5
168.09344	4.6
169.06416	2.3
169.10114	20.5
170.10855	11.8
171.08046	8.5
171.11717	47.5
172.08655	2.5
172.12373	3.0
173.06059	11.1
173.09650	17.7
173.13248	6.6
175.07602	6.3
175.11171	5.8
177.09090	5.6
178.07898	3.0
179.07193	3.2
179.08708	3.0
179.10652	2.5
180.09367	3.5
181.10124	7.8
182.10968	3.8
183.08186	4.4
183.11723	39.6
184.08832	2.8
185.09712	13.9
185.13269	45.4
187.07613	2.6
187.11121	12.2
189.05469	6.9
189.09105	12.2
189.12666	4.1
191.10623	4.7
193.10204	5.8
195.08115	3.5
195.11722	13.4
197.09589	9.6
197.13307	15.1
198.10420	5.1
199.07561	4.3
199.11201	25.8
200.12029	2.9
201.09167	7.0
201.12756	10.1
203.08781	2.2
203.10672	3.5
205.10191	3.9
205.12343	3.1
206.10869	3.4
207.11742	6.2
208.12489	3.0
209.09662	4.1
211.11212	12.0
213.09239	4.9
213.12756	53.5
213.14792	2.6
215.10669	8.7
215.14275	4.5
217.12175	3.2
219.11761	6.2
220.12494	3.2
221.09613	3.3
221.13417	10.4
223.11186	7.2
225.09145	4.3
225.12729	5.5
227.10681	5.9
229.10226	2.8
229.12262	6.9
230.10863	3.3
231.11862	4.0
231.13799	7.3
232.12427	4.3
233.09521	3.0
233.13411	2.9
235.11156	5.2
235.14911	5.0
237.09167	3.3
237.12909	3.2
239.10831	2.5
241.12257	13.2
243.11877	3.1
243.13867	5.2
244.12418	4.4
245.09537	3.7
245.11572	5.1
245.13428	3.2
245.15422	21.3
246.10567	3.2
246.13988	2.9
247.11122	2.4
247.13341	7.8
249.12770	4.5
249.16447	2.6
251.10818	3.2
251.14310	5.1
255.13814	9.3
256.12506	4.8
257.13394	3.6
258.14063	4.3
259.12961	3.5
259.15155	4.3
263.10443	2.5
263.16626	2.6
265.12344	2.8
267.11578	4.5
270.14093	2.5
271.14917	6.6
272.12094	2.5
272.15588	3.5
273.14862	22.5
274.13339	3.2
275.14236	2.6
277.12296	3.1
277.15814	4.6
283.10846	2.5
284.12143	2.7
284.15540	2.4
285.12723	3.8
285.16315	3.7
287.14291	6.1
287.17487	2.5
291.16089	5.8
299.14310	3.8
301.15778	2.5
313.15988	3.3
315.17450	5.5
319.16873	5.0
325.15521	3.4
327.17285	3.8
329.15433	3.4
329.18961	5.3
331.16806	10.5
333.18524	11.7
339.17126	4.1
342.16138	3.8
343.17062	19.0
345.18546	5.6
345.97641	2.4
347.20047	4.8
357.18521	18.4
361.17966	12.7
373.18030	5.9
375.19638	17.8
385.18002	17.2
387.19400	3.2
389.21054	3.2
391.18835	4.9
403.19080	25.4
405.20447	7.4
407.21912	4.9
417.20618	23.6
421.20093	15.7
423.22119	3.3
435.21820	30.4
439.20932	3.7
453.22687	15.9
463.21567	3.2
465.19455	5.5
477.22421	3.1
481.22650	5.2
495.23648	7.6
508.02344	2.5
513.24988	2.7
595.28998	6.0
613.28802	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
55.01875	17.2
55.05513	28.7
60.46128	2.2
65.03941	2.8
67.05494	4.7
67.39706	2.3
69.36967	2.0
70.01192	4.6
70.01579	4.9
79.05480	6.6
81.03407	9.1
81.07043	5.0
83.04985	32.9
83.14368	2.2
91.05473	35.9
93.07025	5.3
95.04964	18.8
95.08601	2.9
97.06518	3.1
98.20838	2.7
103.05495	5.5
105.07039	17.6
107.04944	7.6
107.08588	7.5
109.06538	5.9
112.97468	2.0
115.05466	13.4
116.06257	5.5
117.07008	26.4
119.08583	46.6
121.06475	7.1
128.06226	8.0
129.07004	24.1
130.07794	3.3
131.08559	23.6
132.05696	2.3
133.06421	4.7
133.10124	8.3
135.08061	6.0
141.06998	3.4
142.07768	8.4
143.08560	20.0
144.05673	2.6
144.09322	2.5
145.06488	21.3
145.10136	15.7
147.08055	100.0
147.09244	5.0
149.09612	13.8
154.07701	2.2
155.08546	9.0
156.09343	9.3
157.10133	30.6
157.11342	3.7
158.07285	3.6
159.08063	53.1
159.11694	33.6
161.09621	27.1
163.07549	48.0
165.07001	3.9
167.08539	5.2
168.09357	3.9
169.10123	18.5
170.10904	4.3
171.08047	4.5
171.11722	16.9
172.08818	3.0
173.06010	4.6
173.09630	30.2
173.13290	9.0
175.07568	8.1
175.11163	5.8
177.09084	3.6
181.08470	2.3
181.10051	5.2
182.00925	2.3
183.08092	5.1
183.11694	45.9
185.09671	12.1
185.13217	11.6
187.07530	5.1
187.11163	16.2
189.09093	4.5
193.10121	6.0
195.08147	2.5
195.11658	5.4
196.08942	3.3
197.09596	9.5
197.13268	3.0
199.11195	12.5
201.09122	9.3
201.12752	21.4
203.10667	4.2
205.10275	3.4
206.10884	3.2
207.11688	7.6
209.09592	7.1
209.13242	3.7
211.11192	13.1
213.12721	5.0
215.10741	5.9
217.12274	4.8
218.10803	2.7
220.12352	2.7
221.13309	5.7
222.10503	2.7
223.11194	4.4
225.12717	6.0
227.10652	5.1
229.12265	16.9
232.12335	2.7
233.09470	2.3
233.15427	7.3
235.11121	5.4
237.12712	7.3
239.10640	3.3
243.11667	3.6
243.13789	7.8
245.11595	2.6
245.15498	3.7
247.11104	2.8
250.13634	3.0
251.14281	4.7
253.25760	2.5
255.13884	3.3
256.12347	2.7
257.13409	5.3
259.13391	7.0
261.12473	3.4
261.14801	14.9
265.58139	2.6
269.13196	3.3
271.10638	2.7
272.15268	2.6
273.12650	5.3
274.13492	3.1
275.14423	4.0
279.13788	4.5
285.12759	6.4
286.13403	3.7
287.14319	5.2
289.15778	4.7
291.13596	2.7
299.14166	6.0
300.14972	5.5
301.15720	5.5
313.12344	2.7
313.15836	3.2
314.16550	3.0
315.17526	16.0
317.15341	4.0
323.16019	2.6
325.15906	3.0
327.13651	3.9
327.17279	2.6
329.19000	12.3
331.16644	2.8
333.18506	8.4
343.16919	5.2
347.19867	3.8
357.18408	14.1
375.19522	17.5
385.17923	4.8
389.21106	15.5
393.20514	3.1
399.19177	2.9
403.18930	9.3
407.22263	18.0
417.20651	13.8
421.19818	6.2
425.23123	7.0
435.21774	22.3
453.22781	13.3
481.21985	2.7
581.27216	2.6
616.55579	2.4
626.18793	2.3
642.01477	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01881	19.1
55.05517	16.5
61.41983	3.1
65.03930	3.9
67.05501	9.3
69.03421	6.0
69.07053	4.5
69.60012	17.1
75.27584	2.9
79.05501	14.3
81.03414	14.9
81.07059	6.3
83.04986	24.0
91.05486	43.0
93.07047	12.8
93.94431	2.6
95.04980	20.8
95.08604	6.3
103.05490	7.8
105.07030	32.9
107.04955	8.2
107.08604	10.9
109.06526	7.6
115.05448	13.8
117.07014	24.8
119.08592	42.9
120.86597	3.0
121.02868	5.0
121.06518	10.3
121.10126	7.5
128.06241	12.3
129.07013	28.6
130.07779	4.6
131.04935	11.4
131.08565	26.6
133.06511	11.7
133.10156	26.9
135.08026	5.7
141.07001	11.7
142.07790	16.9
143.08565	25.6
145.06493	23.9
145.10121	26.0
147.08055	100.0
147.11646	3.1
149.09630	5.8
155.06125	3.6
155.08513	13.3
156.09370	17.7
157.06429	4.0
157.10146	39.8
158.07333	3.1
159.08055	42.8
159.11707	10.0
161.05994	10.9
161.09633	54.4
163.07533	37.7
163.11180	3.4
165.07019	8.5
167.08612	7.5
169.10107	18.9
170.10901	9.5
171.08035	14.6
171.11702	57.2
173.06000	8.0
173.09631	35.2
173.13245	6.5
175.06212	4.6
175.07574	38.2
175.11203	5.7
179.08617	5.8
181.10175	10.2
182.07307	3.1
183.08104	6.0
183.11705	29.8
184.08861	5.4
185.09636	27.7
185.13266	31.5
187.07565	5.6
187.11163	14.8
189.09114	12.5
191.10625	6.7
192.09377	4.2
193.10144	7.7
195.11720	15.0
197.09586	11.3
197.13211	8.0
198.10449	5.0
199.11154	23.2
200.12041	9.7
201.09158	9.0
201.12793	6.2
203.07034	4.4
203.10674	5.5
205.10190	4.5
207.11705	9.6
209.09703	5.6
209.13242	5.8
211.11209	7.0
213.09125	5.1
213.12753	35.1
215.08746	3.4
215.10709	9.0
217.08585	7.1
217.12257	12.2
218.10921	3.6
219.11877	4.8
220.12538	6.8
221.13344	8.9
223.11227	12.7
223.14784	3.6
225.09114	4.9
227.10745	5.7
229.08504	4.4
229.10434	3.6
229.12328	9.9
230.10905	6.7
231.13760	40.3
233.09583	3.9
233.13354	6.2
235.11113	4.9
235.14848	9.1
237.12794	9.4
239.10680	3.2
241.12238	14.6
243.11763	6.2
243.13846	5.1
245.09549	4.1
245.11760	9.4
246.14067	3.8
247.11160	5.2
248.12042	5.7
249.12816	5.9
251.14342	5.2
255.11786	3.9
256.12479	5.1
257.13477	5.8
259.10913	5.4
259.13251	39.5
260.12042	4.5
261.12775	5.1
263.14337	9.2
265.16031	3.4
268.12463	3.6
269.13104	6.9
270.13931	4.5
271.11011	4.6
272.11795	4.7
273.12619	3.8
274.13712	5.2
275.14420	5.1
279.13876	6.4
284.15741	4.6
285.12796	6.1
286.13385	3.6
287.14346	9.1
288.15054	3.8
289.15948	4.8
297.12643	10.8
297.15860	3.2
298.13547	4.8
298.16919	3.6
299.14325	10.0
299.17831	5.4
301.15851	7.6
303.13998	3.2
303.17184	5.1
311.14270	5.7
312.15195	3.6
313.15881	8.2
315.17401	8.9
317.15536	6.1
317.18942	7.1
325.16187	3.3
326.16708	5.1
327.13751	5.5
327.17337	10.4
328.14590	3.5
328.18057	4.5
329.05023	3.0
329.15317	6.9
329.18936	5.0
331.17062	15.5
331.20300	3.8
333.18494	5.6
341.19012	10.4
342.16284	3.8
343.16934	12.3
345.18539	23.0
347.16403	5.4
354.16074	4.1
357.18472	21.2
359.20013	11.9
361.17966	5.5
367.16559	3.7
369.18356	15.3
373.18063	10.1
375.19598	22.8
377.21271	18.0
385.17999	13.9
387.19543	66.2
391.18988	9.2
393.20889	2.9
403.19022	14.3
405.20581	66.1
417.20633	8.3
421.20056	22.0
423.21735	13.3
435.21701	16.4
447.21838	9.4
453.22632	5.8
457.22946	3.2
465.22620	23.7
475.24210	3.7
481.22260	4.9
495.23575	6.5
507.23795	5.7
525.24792	11.5
535.26874	5.2
595.28937	20.0
613.28937	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	613.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.2
55.01872	20.0
55.05516	61.4
55.74339	3.6
57.03420	4.8
65.03960	6.4
67.05505	16.1
69.03426	13.2
69.07065	9.8
79.05495	15.6
81.03404	11.8
81.07043	15.6
83.04991	98.3
91.05482	39.7
93.07063	25.7
95.01307	5.8
95.04997	21.4
95.08626	8.1
98.21519	9.7
101.58609	3.9
103.05459	17.0
105.03394	17.7
105.07051	42.2
107.04942	8.1
107.08595	17.9
109.06502	5.2
109.10155	6.6
115.05460	15.8
116.06234	5.9
117.07014	32.1
119.08585	57.5
121.06537	6.0
121.10152	7.7
128.06281	19.4
128.30252	3.6
129.07030	26.8
131.04951	34.3
131.08591	35.0
132.05333	6.8
133.06500	10.0
133.10141	46.1
135.08035	9.5
137.09656	4.2
141.07007	11.4
142.07784	12.5
143.08575	27.5
145.06482	23.2
145.10118	31.2
147.06931	6.8
147.08069	100.0
147.11696	9.2
149.02367	4.2
149.09627	11.8
153.06927	6.4
155.08592	19.6
156.09312	18.1
157.08932	6.0
157.10147	60.3
158.07298	9.6
159.08096	55.8
159.11766	23.1
161.06000	13.3
161.09636	49.3
162.06757	6.5
163.07553	32.7
163.11177	7.1
165.06998	7.7
167.08566	9.8
168.09323	5.4
169.08917	3.7
169.10112	21.7
170.10873	17.3
171.08075	17.1
171.11702	80.9
172.08876	4.2
172.12099	7.0
173.05965	4.4
173.09662	33.2
173.13237	11.2
174.09999	7.4
175.07549	23.4
175.11147	11.4
179.08574	6.4
180.09369	8.0
181.10117	17.9
182.10951	7.5
183.08072	8.3
183.11707	45.6
184.08813	8.2
185.09691	25.9
185.13286	56.2
186.10062	4.1
186.13574	4.8
187.11215	10.3
189.09099	6.7
192.09180	6.8
193.05028	5.7
193.10150	12.7
193.12088	3.9
195.08113	4.9
195.11703	17.4
196.12444	4.9
197.09637	14.1
197.13272	21.5
198.10382	6.1
199.07585	4.7
199.11209	40.3
200.11766	5.4
201.09079	8.7
201.12663	7.0
205.12321	4.9
206.10823	5.9
207.11745	14.8
209.09578	9.4
209.13275	15.4
211.11176	14.6
211.14735	4.5
213.09225	7.8
213.12779	62.4
214.13132	5.9
215.10611	5.9
215.14134	4.7
217.12175	5.4
218.10826	4.1
219.11748	8.9
220.12527	5.8
221.09566	5.2
221.13210	11.0
223.11191	11.6
223.14825	8.1
224.11618	4.2
225.09187	4.5
228.07701	7.8
229.08128	8.5
229.10188	6.1
229.12256	5.8
231.09923	5.8
231.11848	8.3
231.13744	7.2
232.12476	5.5
233.13354	6.7
235.14803	9.3
236.15573	6.1
237.12685	5.8
239.10826	5.2
241.12277	10.9
243.11722	6.6
243.13884	8.9
245.13307	7.5
245.15413	29.5
246.13980	5.9
247.11113	8.7
247.14909	8.8
249.12672	4.3
249.16377	6.7
251.14319	7.2
255.13914	8.7
257.13214	6.4
258.13983	5.4
259.11014	7.1
259.13187	5.3
261.12820	9.6
261.16498	4.8
271.14893	7.3
273.12369	7.1
273.14807	25.3
277.12225	5.3
283.11282	4.8
284.12076	5.4
285.12851	9.1
287.14389	9.1
289.19400	5.9
290.12747	5.0
296.11896	5.6
297.12729	8.2
298.13620	8.3
299.14017	4.8
301.15765	7.7
303.13956	4.4
311.14136	9.9
312.15109	7.7
313.15872	8.5
314.12918	5.3
314.16446	7.2
315.13687	5.1
315.17365	10.5
315.20996	5.2
317.19159	6.3
327.17468	18.6
329.15286	7.8
331.16202	5.2
331.20581	5.4
333.18283	6.8
335.20001	18.0
341.19034	14.9
343.16861	6.4
345.18616	11.3
357.18451	7.8
358.15817	4.2
359.20096	7.6
361.17972	7.6
363.23267	7.9
365.24557	9.9
369.18359	17.3
375.19275	7.3
375.23297	47.6
385.08914	7.2
385.17755	6.9
387.19617	25.6
389.21231	8.3
391.22748	9.3
393.24234	68.8
401.21246	23.5
403.18658	15.0
405.20621	7.0
417.20267	4.4
419.22180	31.9
421.19730	10.7
435.21448	6.9
452.21432	5.2
453.26904	32.9
462.19904	6.1
463.20859	25.4
465.46893	4.1
479.24326	11.3
495.23254	5.4
513.24341	9.4
539.26086	8.7
581.27161	8.4
595.28613	18.5
613.27869	17.9
614.32996	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	612.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.2
55.01872	2.9
55.05516	23.2
57.03439	19.0
65.03941	3.8
67.05508	62.9
69.03425	2.7
69.07059	14.6
69.23273	20.0
71.05015	4.1
72.30228	2.2
79.05489	41.1
81.03423	92.0
81.07063	68.5
83.04971	7.1
83.08626	26.4
85.06538	3.6
91.05479	39.4
92.24503	2.1
93.07050	46.0
95.04973	24.7
95.08612	39.7
97.02899	2.2
97.06513	4.0
97.10173	9.0
105.07039	29.4
107.04951	8.0
107.08607	19.2
109.06538	4.5
109.10162	23.1
111.08076	5.4
116.42193	1.9
117.07018	8.0
119.08601	24.6
121.06483	3.5
121.10144	19.0
122.46442	1.9
123.08100	2.9
123.11709	4.8
125.09625	4.7
129.07005	10.3
131.08568	22.3
133.06506	2.4
133.10155	13.9
135.11681	13.5
137.09560	2.2
137.13228	2.9
142.07845	3.0
143.08513	2.6
145.10124	11.4
147.08084	3.6
147.11702	14.2
149.09628	7.8
149.13249	5.5
151.11116	2.1
157.10112	8.5
159.11719	8.3
161.13263	5.0
161.18346	1.9
163.14821	4.6
173.13246	6.4
175.11172	9.0
187.14836	2.7
189.11209	2.3
192.23631	2.1
193.12234	20.3
227.12802	4.1
243.21106	7.9
249.15002	3.1
261.22180	16.1
267.15927	97.6
287.20032	2.3
301.25299	6.3
317.24774	4.8
335.25809	100.0
435.32733	2.6
453.33600	6.8
471.34760	3.4
479.22449	2.9
527.37378	64.7
534.24707	2.9
545.38440	31.8
559.39911	5.0
594.26990	5.3
612.28027	20.6
612.47131	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	613.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.7
51.02371	1.8
53.03949	11.3
55.01867	2.2
55.05511	3.6
65.03925	0.9
67.05506	2.5
69.03426	2.6
69.07063	1.0
71.55299	1.2
77.03922	2.2
79.05480	3.6
81.03416	3.9
81.07058	2.1
82.71763	0.7
83.05000	4.5
91.05491	6.9
93.07046	4.6
95.04977	12.8
95.08607	3.8
97.06548	1.3
100.04104	0.7
103.05475	10.1
105.03397	100.0
105.04543	5.5
105.07025	6.6
107.04948	1.0
107.08598	2.8
109.06509	1.4
109.10153	1.5
115.05460	2.0
117.07024	2.6
119.08587	7.5
121.06561	1.2
121.10163	2.6
123.08073	1.5
124.79575	0.8
128.06216	2.2
129.07004	3.5
131.04935	20.5
131.08600	3.2
132.05263	1.3
133.06493	1.8
133.10143	5.9
135.08057	1.3
141.06949	1.2
142.07814	2.1
143.08540	3.9
144.09274	1.3
145.06505	2.5
145.10144	2.9
147.08058	5.2
147.11693	1.2
149.09636	2.7
153.06958	0.9
155.08572	1.2
156.09419	1.2
157.10139	4.0
158.07243	0.8
159.08105	2.9
159.11707	2.0
161.05984	1.3
161.09636	5.9
163.07544	1.3
165.07024	4.0
165.09195	2.8
166.07793	1.7
167.08640	2.8
168.05977	0.8
169.06557	0.9
169.10149	3.0
170.10934	1.0
171.08121	3.0
171.11728	4.1
173.09650	2.3
178.07817	0.8
179.08546	2.1
180.09360	2.4
181.10103	2.6
183.11703	5.4
185.09688	2.7
185.13310	2.0
187.11208	2.5
191.08606	1.3
191.96094	0.8
192.09308	1.3
193.10210	3.0
195.08130	1.8
195.11711	3.5
196.70029	0.8
197.09630	6.4
199.07454	1.0
199.11224	3.4
203.08664	1.6
204.09377	1.5
205.10207	2.4
206.10822	1.5
207.10059	1.8
207.11771	1.7
208.08887	2.8
209.09665	2.5
209.13283	1.5
211.11234	3.0
213.12791	2.6
215.08676	1.6
217.10191	2.3
218.11021	1.2
219.11646	2.0
221.09703	0.9
221.13242	2.1
223.11185	11.9
225.09373	0.9
225.12859	0.8
229.10159	2.8
230.10892	1.5
231.08038	0.8
231.11658	2.4
232.08679	0.9
232.12418	2.3
233.13298	2.2
234.10452	1.2
235.11171	2.3
235.14763	1.3
237.09151	1.8
237.12762	2.0
239.08540	1.4
242.11021	2.3
243.08002	0.9
243.11754	2.9
244.12421	1.8
245.09619	2.9
245.13286	4.5
246.14030	1.5
247.11258	2.1
247.14870	2.5
248.11896	1.1
249.12900	1.3
253.10091	2.1
254.10938	1.9
255.11731	3.2
256.12442	1.1
257.09677	1.1
257.13333	2.6
258.10458	1.2
258.14136	1.2
259.11160	1.9
259.15131	1.3
260.11993	2.9
261.12796	3.3
263.10764	0.8
263.14224	1.3
263.18079	1.0
265.10086	1.1
266.11014	1.1
267.11673	1.9
268.12549	2.0
269.13385	2.8
270.10303	1.0
270.14026	2.8
271.11142	2.0
271.14923	1.6
272.12131	1.9
273.12698	3.6
273.16510	0.9
274.13550	1.6
275.14447	2.5
275.17957	1.2
277.12488	0.9
280.12308	1.3
281.13245	2.6
282.13766	1.0
283.11246	5.0
283.14041	0.8
284.12033	1.7
285.09482	1.0
285.13028	1.8
285.16376	2.9
286.13589	1.5
287.14337	5.2
289.15891	1.2
293.13239	1.0
295.11423	1.7
295.14893	3.7
296.12088	1.9
297.12787	5.7
297.16037	1.2
298.13672	5.4
298.16898	1.2
299.10498	1.4
299.14282	3.1
299.17880	1.1
300.15240	1.1
301.12360	1.6
301.15811	1.7
303.14249	1.3
303.17542	2.1
308.11929	1.8
309.12732	5.8
310.13550	2.2
311.14264	6.6
312.15045	2.5
313.12540	0.9
313.15887	15.2
314.13089	1.1
315.13748	1.8
315.17349	1.5
323.14343	8.0
324.15170	3.7
325.15854	4.4
326.16779	3.0
327.13995	1.3
327.17157	3.5
328.18103	1.3
329.15347	2.5
329.18903	1.5
331.16812	1.0
338.16693	6.7
340.18314	1.4
341.15369	1.7
341.19083	6.3
343.17197	1.4
343.20697	5.1
353.18991	16.8
356.17896	2.6
357.18710	1.3
359.20309	1.0
369.18707	1.3
371.20087	21.9
389.21158	1.9
416.19794	1.6
431.22284	5.8
551.25470	0.8
613.27954	74.9
614.28619	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.3
53.03935	0.4
55.05266	0.5
55.05516	7.4
57.03429	0.7
57.07074	0.7
58.06604	26.5
60.04512	1.1
65.03925	0.4
67.05173	0.5
67.05505	5.5
69.07062	2.5
72.08147	1.3
79.05495	3.7
81.07063	7.6
83.04987	27.3
83.08613	0.8
84.08134	0.4
85.02926	0.8
85.06555	0.4
87.04460	0.6
91.05482	5.5
93.07057	6.9
95.04972	0.8
95.08608	6.5
96.08140	0.4
97.06517	1.0
98.21548	0.6
100.07620	6.0
105.07036	6.1
107.08599	9.1
109.06516	1.0
109.09485	0.4
109.10170	4.2
110.54928	0.3
111.08093	1.4
114.09185	0.6
117.07037	1.5
119.08593	8.2
121.10156	5.6
123.08121	1.6
123.11730	2.6
129.07025	1.0
131.08578	3.9
133.10143	7.0
135.08070	1.2
135.11700	7.8
137.13243	1.2
139.07594	0.3
141.09125	0.3
143.08612	2.3
145.10129	4.5
147.08055	0.8
147.11690	3.5
149.09612	0.9
149.13264	1.4
151.11209	1.0
155.08582	0.9
156.09279	0.4
157.10127	2.6
159.11703	6.2
161.09621	1.3
161.13271	2.7
163.11194	2.2
163.14865	0.4
169.10152	0.8
171.11681	2.9
173.13252	3.0
175.07693	0.3
175.14774	1.7
176.14427	0.4
176.31853	0.3
177.16412	0.7
183.11717	1.6
185.13284	2.1
187.14825	2.5
189.09126	0.8
189.12807	0.5
189.16406	2.6
191.10710	0.4
191.14395	0.5
191.17966	0.4
195.11737	0.8
197.13278	1.5
199.14853	1.6
201.12704	0.7
201.16393	3.6
202.15923	1.5
203.17972	1.0
209.13361	0.7
211.14879	1.3
213.12767	0.5
213.16461	1.1
215.14371	0.9
215.18039	0.7
217.15919	0.9
220.16936	1.5
221.13324	0.6
223.14951	0.4
225.16399	1.1
227.14355	0.7
227.17961	0.7
229.16023	0.4
229.19487	0.5
231.13773	0.4
235.14815	0.5
239.16321	0.5
243.21201	0.4
245.15382	0.6
249.16476	0.4
251.18004	0.4
253.19572	0.7
255.21191	0.6
281.18936	0.7
285.25842	0.8
293.22522	0.4
295.24231	1.9
299.20059	0.5
300.13635	0.9
313.25348	0.7
317.15945	1.9
319.24338	1.3
333.26047	0.5
335.25833	2.6
363.27335	0.4
379.26535	0.5
381.28000	0.7
395.28577	0.7
413.30948	0.4
417.31461	1.9
419.29446	0.4
433.30847	0.4
435.32550	1.7
461.85013	0.4
481.33157	1.5
495.34756	0.7
517.36975	0.6
535.37946	4.7
546.42554	0.3
553.39014	0.4
559.40045	0.9
565.90588	0.4
577.36798	0.7
594.41376	0.4
612.42609	100.0
613.42871	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.05515	6.4
57.03434	0.6
57.07092	0.8
58.06602	26.9
60.04510	1.3
67.05510	4.2
67.80815	0.4
69.03437	0.5
69.07074	2.5
71.04993	0.7
71.08595	0.5
71.56810	0.6
72.08155	1.0
79.05499	3.4
81.03418	0.8
81.07059	6.5
83.04984	24.4
83.08623	0.9
85.02901	0.7
85.10175	0.5
91.05468	4.3
93.07049	6.3
95.05003	0.6
95.08617	6.6
97.06573	0.5
97.10201	0.5
100.07622	5.5
105.07032	5.5
107.08598	9.2
109.06557	0.6
109.10157	4.2
111.08109	0.6
114.09185	0.7
117.07047	1.5
119.08582	7.7
121.06507	0.5
121.10145	4.9
123.08064	2.7
123.11700	2.2
129.07022	1.0
131.08604	3.9
133.10143	6.4
135.08092	0.8
135.11693	7.0
137.13252	1.3
141.09132	0.5
143.08537	2.4
144.09319	0.5
145.10130	4.8
147.08066	0.7
147.11707	2.7
149.09650	0.8
149.13316	1.4
155.08597	0.7
157.10138	3.0
159.11714	5.2
161.09645	1.3
161.13271	2.4
163.11223	1.4
168.09367	0.5
169.10095	0.8
171.11719	2.7
173.13277	3.2
175.14844	2.0
176.14297	0.5
177.12788	0.5
177.16426	0.9
181.10117	0.6
183.11731	1.5
185.13327	2.4
187.14880	2.0
189.09146	1.0
189.16385	1.8
191.10635	0.4
191.14375	0.6
195.11751	0.9
197.13330	1.3
199.14851	2.7
201.12793	0.7
201.16374	3.1
202.15846	2.3
203.17903	0.8
205.16000	0.4
209.10010	0.4
209.13295	0.9
211.14854	0.7
213.12836	0.5
213.16425	1.2
215.14403	0.7
215.17902	0.6
217.15936	1.2
220.16936	2.6
225.16440	0.6
227.14320	0.4
227.18083	0.5
231.13817	1.1
239.18054	0.5
243.21120	0.6
245.15367	0.5
251.18050	0.5
253.19417	0.5
281.19260	0.6
295.24280	2.7
299.14993	0.6
300.13641	1.1
313.25330	1.1
319.23834	0.5
337.25272	1.0
381.27740	0.6
417.31464	1.7
435.32626	1.8
481.33212	1.2
517.36676	0.7
519.36383	0.6
535.37817	4.4
565.90588	0.7
571.25238	1.4
612.42578	100.0
613.26654	0.9
613.42535	1.9
643.69708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05515	10.0
55.57609	0.3
57.03442	0.4
57.07051	0.5
58.06602	28.8
60.04517	1.2
61.35499	0.3
65.03944	0.3
67.05505	4.7
69.03424	0.6
69.07076	1.8
69.40510	2.6
70.63989	0.4
72.08160	1.0
79.05496	3.8
80.96312	0.4
81.03394	0.6
81.07062	5.8
81.88573	0.3
83.04984	38.8
83.08614	0.9
85.02909	0.8
91.05476	4.0
93.07043	6.9
95.04984	1.1
95.08614	8.4
96.08961	0.4
97.06556	0.8
97.10121	0.4
98.21527	0.8
100.07623	6.3
103.05430	0.4
105.07032	5.6
105.07677	0.5
107.04958	0.4
107.08602	9.4
109.06513	1.4
109.10148	3.2
111.04433	0.4
111.08051	0.6
114.09190	1.2
117.07018	1.2
119.08582	8.6
121.06538	0.9
121.10143	7.4
123.08071	3.8
123.11726	2.5
128.06213	0.6
129.07030	1.0
131.08577	4.2
133.10136	6.4
135.08066	0.8
135.11696	5.5
137.13243	1.3
138.09140	0.7
139.07585	0.4
140.10767	0.4
141.09158	0.6
142.07735	0.5
142.08696	0.5
143.08557	2.5
144.09348	0.9
145.10121	5.4
147.08029	1.0
147.11707	3.6
149.09628	3.2
149.13245	1.5
150.04007	0.4
151.11162	0.5
154.07651	0.4
156.09247	0.5
157.10063	3.1
159.11708	5.7
161.09634	0.7
161.13257	2.2
163.11174	1.2
163.14853	0.5
169.10176	1.6
171.11694	3.5
173.13258	3.5
175.11308	0.6
175.14827	2.0
177.12788	0.5
177.16389	0.4
181.10202	0.6
183.11707	1.9
185.13246	2.2
187.14848	2.5
189.12828	0.4
189.16357	2.4
191.14384	0.6
195.11732	0.8
197.13278	1.7
199.14857	2.0
201.12776	0.6
201.16380	3.6
203.14310	0.5
203.17967	0.6
207.11714	0.5
209.13303	1.4
210.13901	0.4
211.14836	1.4
213.16393	1.2
215.14381	0.7
215.18036	0.8
217.15987	0.8
223.14908	0.5
225.16440	1.2
227.14378	0.7
229.16002	0.6
229.19498	0.5
237.16374	0.6
239.17839	0.6
245.15430	0.5
247.16946	0.5
251.18056	0.5
253.19498	0.7
285.25809	0.7
295.24112	2.1
313.25232	1.1
319.24304	1.0
337.25211	0.5
363.26846	0.7
379.26389	0.5
394.23163	0.3
395.29608	0.4
417.31647	1.4
435.32443	1.9
481.33029	1.0
495.34769	0.4
517.37256	0.5
527.37292	0.5
535.37933	4.3
553.38824	2.4
594.41827	1.0
612.42554	100.0
613.42773	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.6
57.07040	1.3
57.50765	1.1
58.06601	22.1
60.04515	1.4
67.05505	5.0
69.07078	4.1
71.08629	2.7
71.56403	1.2
71.56821	1.5
79.05489	4.4
81.03407	1.5
81.07076	8.5
82.10128	1.1
83.04983	24.8
83.08659	1.7
85.02917	1.3
86.05198	1.3
91.05484	4.8
93.07048	6.2
95.04977	1.5
95.08604	8.4
98.98467	1.4
100.07618	4.7
105.07043	6.6
107.08599	8.4
109.10181	4.5
117.07005	1.3
118.06568	3.6
119.08598	8.1
121.10162	5.6
123.08048	1.3
123.11735	4.0
123.93075	1.2
125.00020	5.1
131.08617	3.0
133.10120	6.6
135.08139	1.7
135.11687	7.8
137.09674	1.2
143.08473	1.8
144.08105	11.0
145.10168	4.1
147.08096	1.2
147.11691	2.8
149.13272	2.1
149.83418	1.2
151.74437	1.0
157.10191	2.2
158.09706	4.4
159.10541	2.0
159.11734	5.6
161.13268	2.1
162.09221	2.3
163.11156	1.1
169.10094	1.9
171.11688	2.4
172.11243	3.5
173.13292	2.7
175.14807	2.2
176.14354	24.5
183.11798	2.0
185.13269	2.3
189.16479	1.4
197.13367	2.0
199.14857	1.4
201.16423	2.7
202.15915	98.7
211.14868	2.5
220.16978	97.4
252.78479	1.2
295.24307	2.5
300.13599	68.6
303.05331	1.3
319.24384	1.2
374.17429	1.4
417.31522	1.8
435.32693	2.3
535.38074	2.4
571.25562	2.0
594.38947	8.6
612.41901	100.0
613.26672	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	611.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	0.7
52.62877	0.8
53.03942	2.4
55.01868	1.4
55.05514	13.5
57.03439	4.7
57.07071	3.0
61.93975	0.8
65.03938	2.4
67.05508	36.7
69.07072	14.7
71.04987	1.9
74.09727	1.1
77.03902	0.8
79.05494	26.6
81.07060	39.4
83.04991	2.1
83.08629	6.7
85.06532	1.5
91.05485	30.7
93.07047	35.2
95.04971	2.1
95.08611	29.2
97.06527	3.0
97.10171	2.9
99.08102	1.4
105.04517	0.9
105.07034	26.8
107.08598	17.9
109.06557	1.2
109.10161	13.2
111.08088	2.4
115.05476	1.4
117.07037	14.2
119.08592	20.2
121.10149	15.1
121.10888	0.6
123.08084	0.9
123.11731	4.4
128.06239	1.9
129.07014	7.4
131.08582	20.5
133.10130	18.3
133.11072	1.2
135.08078	1.0
135.11691	9.8
137.09651	1.0
137.13257	1.4
141.06992	1.5
143.08578	11.2
145.10133	16.9
147.11700	13.8
149.13301	5.3
151.11229	1.1
155.08595	3.1
157.10120	9.0
157.11179	1.0
159.11708	14.2
161.13274	8.4
163.14818	2.5
167.08548	1.0
169.10068	5.5
171.11717	10.9
173.13213	9.2
175.14841	3.4
181.10159	2.6
183.11664	5.9
185.13277	6.9
187.14803	4.9
189.12793	0.9
189.16388	1.5
195.11754	2.0
197.13316	3.4
199.14940	3.9
201.16493	1.3
209.13365	1.8
211.14851	1.4
213.16444	3.5
215.18082	2.4
217.19409	1.2
225.16417	2.4
227.18115	1.2
229.19524	1.0
231.21117	1.2
239.18066	1.9
241.19562	6.9
243.21260	0.9
257.19092	4.0
259.20578	13.1
261.22141	2.0
277.21899	1.6
289.21915	0.8
303.04947	0.9
315.23346	1.1
331.22650	2.1
333.24225	8.3
335.25897	11.6
337.27478	3.4
339.26990	1.1
501.40924	1.6
501.47864	1.0
519.41907	6.2
537.43140	2.6
593.45776	7.4
611.29749	3.2
611.46716	100.0
612.47235	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
54.43527	1.7
55.05511	23.3
57.03433	3.4
57.07076	3.4
58.06600	8.6
67.05505	42.3
69.07072	14.9
69.28183	13.3
71.04980	2.8
79.05491	36.9
81.07059	43.9
83.04975	11.8
83.08619	8.4
85.06530	2.8
89.06007	1.9
91.05470	30.9
93.06477	2.1
93.07048	37.8
94.84956	1.3
95.04979	3.6
95.08607	42.1
97.06536	3.0
97.10157	3.3
105.07034	29.3
105.07684	2.3
107.08590	23.1
108.48521	1.5
109.10155	14.6
111.08051	1.9
115.05472	1.5
117.07033	13.6
119.08579	28.3
119.09367	2.5
121.10143	20.4
123.08045	3.4
123.11732	5.5
129.07036	8.9
131.08565	21.5
133.10129	21.7
135.11668	11.3
143.08589	11.0
145.10121	19.1
147.08083	1.8
147.11690	14.7
149.09557	1.7
149.13293	6.8
155.08594	4.0
157.10133	12.5
159.11710	15.4
161.13223	9.8
163.14838	2.8
167.08629	1.4
169.10164	6.0
171.11685	10.4
173.13292	9.7
175.14851	5.0
183.11778	5.9
185.13225	8.0
186.13646	2.1
187.14879	5.8
195.11761	2.9
197.13329	4.1
199.14810	8.3
201.16443	4.6
209.13345	2.1
211.14745	2.5
213.16440	4.5
223.14986	2.1
225.16397	1.8
227.18167	1.7
229.19472	2.2
231.21065	2.4
239.18083	2.7
241.19580	6.7
257.19107	3.6
259.20578	15.8
261.22205	4.1
269.22229	1.6
271.20697	1.5
277.21762	2.4
299.23648	1.8
315.23026	2.1
333.24197	8.8
335.25821	17.2
489.35822	1.9
519.42023	4.7
537.42896	3.7
593.45557	7.4
611.29773	2.7
611.46692	100.0
612.42267	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
54.43527	1.7
55.05511	23.3
57.03433	3.4
57.07076	3.4
58.06600	8.6
67.05505	42.3
69.07072	14.9
69.28183	13.3
71.04980	2.8
79.05491	36.9
81.07059	43.9
83.04975	11.8
83.08619	8.4
85.06530	2.8
89.06007	1.9
91.05470	30.9
93.06477	2.1
93.07048	37.8
94.84956	1.3
95.04979	3.6
95.08607	42.1
97.06536	3.0
97.10157	3.3
105.07034	29.3
105.07684	2.3
107.08590	23.1
108.48521	1.5
109.10155	14.6
111.08051	1.9
115.05472	1.5
117.07033	13.6
119.08579	28.3
119.09367	2.5
121.10143	20.4
123.08045	3.4
123.11732	5.5
129.07036	8.9
131.08565	21.5
133.10129	21.7
135.11668	11.3
143.08589	11.0
145.10121	19.1
147.08083	1.8
147.11690	14.7
149.09557	1.7
149.13293	6.8
155.08594	4.0
157.10133	12.5
159.11710	15.4
161.13223	9.8
163.14838	2.8
167.08629	1.4
169.10164	6.0
171.11685	10.4
173.13292	9.7
175.14851	5.0
183.11778	5.9
185.13225	8.0
186.13646	2.1
187.14879	5.8
195.11761	2.9
197.13329	4.1
199.14810	8.3
201.16443	4.6
209.13345	2.1
211.14745	2.5
213.16440	4.5
223.14986	2.1
225.16397	1.8
227.18167	1.7
229.19472	2.2
231.21065	2.4
239.18083	2.7
241.19580	6.7
257.19107	3.6
259.20578	15.8
261.22205	4.1
269.22229	1.6
271.20697	1.5
277.21762	2.4
299.23648	1.8
315.23026	2.1
333.24197	8.8
335.25821	17.2
489.35822	1.9
519.42023	4.7
537.42896	3.7
593.45557	7.4
611.29773	2.7
611.46692	100.0
612.42267	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
53.89552	1.3
55.05277	1.7
55.05510	11.0
57.07084	8.2
64.27136	1.3
67.05183	2.3
67.05509	38.7
69.03431	7.5
69.07071	16.0
71.04978	4.7
71.08624	6.0
71.71958	1.4
72.14470	1.4
79.05492	14.3
81.03403	5.7
81.07060	38.4
83.04980	11.6
83.08631	8.9
85.02895	4.6
85.06538	3.7
85.10143	1.9
91.05477	16.3
92.05827	1.5
93.07048	23.7
93.92225	1.7
94.07385	2.0
95.04999	1.5
95.08612	43.4
96.08921	1.7
97.02872	5.6
97.06563	1.9
97.10167	4.7
99.08089	5.1
105.07042	12.7
107.08598	26.3
108.59818	1.6
109.02869	3.3
109.06517	8.5
109.10159	91.5
111.08083	3.1
113.09615	1.9
117.06999	6.1
119.08585	35.8
121.09328	1.7
121.10152	20.6
123.08079	11.8
123.11705	8.6
125.09587	2.2
127.03923	5.6
129.07018	3.4
131.08588	8.6
132.08768	1.4
133.10127	26.8
135.11697	90.9
137.06009	2.8
137.09619	15.3
139.11188	2.4
143.08549	1.9
145.04965	3.4
145.10141	5.4
147.08047	1.5
147.11681	6.1
149.13280	7.8
151.07558	2.0
151.11177	10.3
151.14816	11.0
153.12770	2.8
155.08499	1.5
159.11694	3.6
161.13264	3.0
164.47836	1.6
165.16441	2.4
171.11732	2.3
173.13287	3.0
175.14838	38.1
185.13300	2.7
193.15889	52.6
197.13202	1.8
199.14751	1.9
211.16942	100.0
239.23663	4.7
243.47023	1.8
257.19235	1.7
259.20639	2.3
277.21533	5.4
335.25604	1.7
356.07016	1.5
381.67056	1.6
383.27969	1.8
430.79904	1.6
584.80756	1.5
590.38538	1.7
611.29388	5.4
611.46582	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	611.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
54.23713	1.5
55.05511	13.5
57.07074	7.4
59.05009	2.0
67.05503	15.5
69.03427	7.0
69.07073	63.7
70.86063	4.0
71.04975	3.8
71.08606	1.7
79.05502	10.4
81.03413	2.8
81.07060	61.6
83.08628	16.6
85.02916	7.8
85.06544	4.9
87.00842	1.9
91.05475	4.0
93.07040	16.7
95.04961	1.7
95.08607	57.3
97.06547	5.3
97.10177	13.9
99.08093	6.9
105.07005	6.2
107.08596	23.2
109.02866	3.0
109.10162	44.6
111.08057	2.8
111.11696	8.1
113.09663	5.1
119.04957	3.3
119.08572	9.8
121.10155	20.5
123.11702	23.4
125.09667	2.8
125.13286	1.8
127.03938	4.9
133.10110	5.9
135.11713	13.5
137.13243	6.7
139.11191	21.9
147.04407	16.0
147.11674	4.1
149.13272	17.5
151.14798	3.5
153.01904	1.8
153.12671	3.7
159.02975	1.9
161.13318	5.2
163.14810	8.3
165.16386	3.4
167.06996	1.7
167.14348	2.4
175.14958	1.7
177.16287	4.4
189.16391	2.9
191.17932	7.0
203.17993	3.8
205.19504	6.4
217.19542	4.7
220.12276	1.7
231.05205	1.7
231.13777	2.6
235.20604	2.1
261.25836	14.0
273.25720	6.7
279.26822	37.5
291.26852	51.4
291.29996	3.6
303.04996	15.3
309.27887	100.0
327.28937	20.7
503.30084	1.8
539.32068	3.0
550.86261	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.01863	2.7
55.05507	22.7
57.03435	3.0
57.07081	13.7
57.34303	2.0
67.05509	28.8
69.03431	15.3
69.07069	63.8
69.81334	11.2
71.04990	3.9
71.08620	5.6
79.05495	16.1
81.03394	5.3
81.06580	5.2
81.07059	94.4
83.04999	3.4
83.08625	34.5
85.02905	25.1
85.06539	18.5
87.00829	12.7
91.05499	6.1
93.07050	38.6
95.04977	5.2
95.08611	100.0
97.02903	8.0
97.06544	9.0
97.10175	22.8
99.04504	3.4
99.08101	11.3
105.01859	20.4
105.07032	20.4
107.04934	2.5
107.08600	43.8
109.02898	6.4
109.10155	75.2
111.08076	13.6
111.11724	23.4
113.09680	6.5
117.07041	2.3
119.08579	18.9
121.06501	2.4
121.10146	39.4
123.08071	2.5
123.11724	46.7
125.09675	4.1
125.13271	11.6
127.03893	16.7
127.11266	2.8
131.08488	2.7
133.10120	8.6
134.85716	2.4
135.11691	32.7
137.09691	2.8
137.13274	18.1
139.11195	3.0
143.08615	3.3
145.04944	6.7
147.08051	4.9
147.11703	14.4
149.13271	31.0
151.14835	7.9
159.08138	2.2
159.11734	2.2
161.13297	16.6
163.14809	13.4
165.09174	3.5
165.12750	5.1
165.16429	4.0
167.07048	2.5
167.14299	8.2
169.15863	3.7
171.11670	2.3
173.04495	6.8
175.14859	5.2
177.16440	8.5
179.17964	3.6
181.15915	3.5
181.19583	4.3
189.03867	2.3
189.16266	3.0
191.17912	24.8
193.08580	2.9
205.19562	5.8
207.21117	6.1
209.18929	4.1
217.19539	32.6
223.20593	6.0
225.22142	16.8
231.05035	4.4
233.22633	8.3
235.20575	46.6
237.15584	2.1
249.06099	9.6
251.23703	9.3
253.21631	45.7
259.78632	2.4
261.25775	2.9
262.60730	2.4
273.25784	6.5
277.05545	5.9
279.26917	2.5
291.26831	27.2
297.27582	2.3
303.05154	10.9
309.28067	10.7
315.11057	2.2
315.23410	2.7
327.28897	9.0
345.65225	2.4
389.59836	2.6
447.23868	4.8
465.24850	6.6
469.15500	2.5
483.26007	3.3
503.30075	3.1
611.29199	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	611.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01669	1.4
55.01873	14.0
55.05515	13.5
57.07067	2.3
65.03963	1.5
67.05499	6.2
69.03419	3.5
69.07067	3.4
71.04964	1.8
79.05502	7.5
80.92184	1.4
81.03419	6.9
81.07049	6.1
83.04979	21.9
83.08621	2.5
91.05487	22.2
93.07059	6.5
95.01316	1.7
95.04969	5.2
95.08582	5.5
97.10155	2.0
98.20771	3.9
103.05461	4.1
105.07037	23.2
107.04929	4.2
107.08591	8.3
109.06519	2.5
109.10141	6.9
115.05456	8.2
116.06229	2.5
117.07028	18.8
119.08590	23.8
121.06493	3.9
121.10152	9.7
123.11684	1.9
128.06239	6.6
129.07014	21.4
130.07790	6.2
131.04907	4.4
131.08574	12.7
132.05678	1.7
133.06479	2.6
133.10136	20.4
135.11665	3.3
141.06956	2.2
141.92099	1.3
142.07755	4.5
143.08577	15.6
144.09396	1.4
145.06474	12.0
145.10130	20.6
147.04352	5.1
147.08055	94.2
147.11679	7.4
149.09610	4.3
154.07800	2.3
155.06044	1.9
155.08563	7.0
156.09340	7.5
157.10147	29.4
158.07309	9.8
159.08058	17.8
159.11691	16.2
161.09628	11.6
161.13205	3.8
163.07510	7.8
163.11240	1.9
165.06967	1.7
167.08524	3.5
169.10132	5.3
170.10947	10.8
171.08070	2.9
171.11700	28.4
173.06000	2.2
173.09636	59.9
173.13222	11.8
175.07536	3.4
175.11227	6.5
178.07872	1.3
179.08487	2.8
181.10130	3.6
183.08141	1.5
183.11707	5.9
184.12437	2.6
185.09642	5.6
185.13258	34.6
187.07368	1.5
187.11148	5.6
187.14821	3.9
189.09094	2.9
189.12704	3.2
193.10168	3.1
194.10951	1.5
195.11670	4.4
197.09627	5.7
197.13292	6.6
199.11140	4.6
199.14832	14.0
201.09160	2.1
203.10683	3.7
203.14322	2.6
207.11670	4.0
209.09621	2.0
209.13217	3.8
211.11133	2.4
213.12718	7.0
217.10332	1.8
217.12320	7.1
219.11813	3.0
219.13820	5.6
220.12408	2.0
221.09698	2.4
221.13234	4.1
223.11163	4.4
223.14806	2.9
225.12766	4.7
227.14299	3.3
229.12271	1.5
230.10899	1.7
231.11763	2.8
231.13747	9.2
232.12428	3.1
233.13239	2.3
235.11230	2.4
237.12805	3.5
237.16370	3.3
239.10817	1.4
241.12263	3.4
243.13872	2.2
245.13416	1.4
245.15376	32.2
246.16043	1.9
247.11191	4.6
248.11787	1.7
249.12636	3.4
257.15695	1.5
259.13245	3.1
260.11880	2.0
261.12695	5.4
263.16367	5.3
271.13306	2.0
273.12396	1.5
273.14966	2.4
275.14294	6.2
278.13138	1.5
283.13190	1.7
288.15100	2.1
289.15811	3.6
298.13376	1.6
299.14383	1.6
301.16003	2.8
303.04907	3.9
303.13803	4.0
303.17380	3.8
315.17358	1.5
316.18198	1.8
317.15436	1.5
317.18951	4.6
321.14862	5.3
327.17441	2.1
331.17038	2.5
331.20630	20.4
332.21344	4.8
335.25793	2.4
341.18872	1.6
345.18433	1.5
345.22040	3.4
349.18152	9.1
373.21625	20.5
375.93771	1.5
387.19467	2.6
391.22702	100.0
401.21295	2.4
409.23367	2.3
419.22079	4.6
433.22879	1.9
451.24771	7.7
473.26660	2.0
511.26605	3.3
533.29132	2.9
611.24072	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.6
54.34985	1.4
55.01875	4.4
55.05520	24.0
57.03427	1.5
67.05512	11.7
69.03433	9.6
69.07071	4.2
71.05003	3.4
71.20006	2.7
73.25799	1.4
73.35554	1.5
79.05503	16.9
81.03425	16.7
81.07054	9.9
83.04986	37.4
83.08627	2.1
85.02899	2.6
91.05476	14.7
91.05916	1.4
93.07040	11.6
95.04976	22.6
95.08592	8.0
97.06521	3.6
103.05454	3.0
105.04496	2.2
105.07038	22.7
107.04967	11.0
107.08617	9.6
109.06541	11.0
109.10162	4.0
112.77358	1.5
115.05456	3.4
116.06233	1.7
117.07014	7.3
119.04953	2.8
119.08593	19.7
121.06486	10.6
121.10196	8.6
123.08096	2.6
128.06219	5.4
129.07039	8.0
131.04942	3.9
131.08572	11.0
133.06482	11.3
133.10133	9.7
135.08063	10.7
135.11705	3.1
137.09633	2.1
141.06985	1.9
142.07813	6.8
143.08574	15.3
145.06520	12.0
145.10155	6.8
147.04410	1.9
147.08087	14.6
147.11742	3.4
149.09628	4.0
153.07034	2.0
155.08580	5.6
156.09401	9.2
157.06529	3.8
157.10150	16.2
158.07275	2.6
159.08046	7.6
159.11731	5.8
161.09660	7.8
163.07576	5.5
163.11238	2.8
165.07007	3.6
165.09114	3.2
166.07811	3.1
167.08582	4.1
168.09360	2.3
169.10132	15.1
170.10880	2.4
171.08109	9.8
171.11702	14.0
173.09689	8.7
173.11684	1.7
173.13301	3.3
175.11244	1.7
178.07838	2.4
179.08600	6.8
180.09387	2.8
181.06598	1.7
181.10103	9.8
182.10939	4.2
183.08154	3.4
183.11639	9.7
184.08864	5.7
185.09653	9.0
185.13261	4.6
187.11198	6.9
192.09386	4.6
193.10225	9.6
193.11743	2.0
194.10959	4.4
195.08116	1.8
195.11745	10.4
196.08975	2.0
196.12479	1.8
197.09634	7.9
197.13286	6.0
198.10402	2.2
199.11197	51.0
199.14902	2.0
201.09142	1.7
201.12746	2.7
205.10118	3.5
206.10922	5.3
207.11674	11.6
208.08917	2.0
208.12549	5.4
209.09692	6.9
209.13306	8.6
210.10338	2.0
211.11185	5.2
211.14885	4.2
213.12863	7.7
215.08556	1.6
217.10179	3.9
217.12279	4.6
218.10938	4.0
219.11650	7.5
220.12497	3.1
221.09613	3.8
221.13245	13.5
222.14012	3.3
223.11197	7.0
223.14870	8.8
225.12776	6.4
227.14342	3.6
229.10167	3.2
229.15918	2.9
230.10988	2.6
231.11746	6.2
232.08954	1.8
232.12523	4.4
233.09566	3.0
233.13287	9.3
234.13995	4.2
235.11211	5.6
235.14804	6.5
236.11969	2.7
236.15768	2.1
237.12801	6.2
237.16345	3.6
239.14429	5.2
241.12271	2.6
242.10986	2.0
243.11743	3.3
243.91927	1.5
244.12422	4.3
245.09647	2.9
245.13306	4.9
246.14131	5.6
247.11087	2.3
247.14888	10.0
249.12718	5.6
249.16458	3.8
250.13731	2.8
251.14310	15.4
251.17949	2.6
256.12369	1.8
257.13235	4.8
258.14063	3.7
259.11023	2.8
259.13425	5.0
261.12854	3.7
261.16452	8.0
262.13672	1.8
263.14417	3.7
263.18033	2.5
265.15906	9.2
266.16708	2.7
269.15463	3.1
270.13876	2.0
271.14600	2.2
272.15610	3.1
273.12616	2.3
273.16458	2.0
275.14368	4.5
275.17957	2.7
277.15961	4.9
279.17459	5.9
282.14105	2.1
283.11041	2.1
283.14462	2.3
285.12772	2.3
285.16385	2.0
287.14481	3.6
287.17914	4.4
289.15811	6.1
291.17334	3.7
297.12967	3.4
299.14267	2.6
300.15005	2.0
301.15848	3.3
303.05066	11.8
303.17606	3.2
305.18976	4.4
311.14209	3.0
312.15210	2.2
313.15985	3.9
315.17459	17.3
317.15402	1.9
317.19043	4.9
325.15857	5.0
326.16782	2.2
327.17557	5.4
327.21158	1.9
329.15619	1.8
329.18805	7.6
331.16965	5.0
331.20624	4.1
333.18475	1.8
340.18384	3.4
343.16751	3.1
343.20587	10.2
345.18542	2.6
345.22211	16.0
347.19904	8.1
349.21869	3.3
355.20575	38.2
357.18542	2.0
358.19321	3.9
361.21616	4.1
363.23080	3.8
373.21643	100.0
391.22717	80.4
415.22562	3.2
415.65280	2.1
433.23721	17.8
451.25116	20.0
455.25879	2.9
491.31149	4.1
551.30420	3.0
612.38660	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.01875	14.0
55.92971	3.2
63.97730	2.5
65.03954	3.1
67.05503	6.4
69.03436	59.4
69.07074	6.2
69.39221	7.0
69.39632	15.8
69.62122	2.7
79.05486	11.0
79.94849	2.4
81.03414	13.9
81.07056	7.8
81.36610	2.9
84.08992	2.7
91.05486	36.2
93.07033	10.3
95.04972	12.4
98.21516	5.1
103.05457	10.5
105.07043	31.2
107.04960	10.9
107.08604	10.8
109.06557	5.7
115.05441	17.8
117.07030	34.0
118.41082	4.1
119.08597	40.1
121.06478	6.2
121.10147	7.8
128.06235	14.8
129.07016	28.7
130.07825	4.9
131.04907	9.8
131.08580	25.0
133.06525	6.9
133.10143	27.3
135.08072	5.6
141.07007	9.7
142.07790	12.5
143.08563	26.1
145.06497	29.4
145.10152	25.0
147.08060	100.0
147.11684	4.6
149.09613	7.5
154.07715	5.1
155.06094	3.1
155.08562	11.3
156.09355	18.4
157.06477	6.8
157.10149	38.2
158.07222	6.2
159.08076	51.0
159.11697	7.9
161.09631	60.5
163.07547	7.2
165.06999	3.4
167.08577	7.7
169.10127	21.0
170.10945	7.0
171.08099	13.4
171.11699	61.1
173.06007	8.0
173.09622	37.0
173.13254	3.2
175.07578	28.6
175.11230	7.7
178.07796	3.4
179.08591	6.4
180.09273	4.2
181.10139	8.4
182.10916	3.7
183.08107	4.9
183.11732	32.1
184.08833	5.6
185.05963	4.0
185.09639	29.4
185.13268	47.1
187.07487	5.3
187.11192	13.3
189.09155	5.2
191.10612	8.0
193.10088	8.4
195.11710	10.9
197.09612	12.3
197.13272	10.0
199.11188	28.4
200.11926	7.6
201.09155	9.7
201.12614	5.8
203.10663	4.9
205.10129	5.3
206.10837	4.5
207.11713	9.1
209.09639	6.1
209.13293	4.5
211.11142	7.0
213.09123	6.0
213.12752	40.3
215.10582	17.3
217.08577	10.3
217.10455	3.5
217.12299	8.7
219.11838	4.8
221.13278	6.3
223.11160	9.1
225.09158	5.2
225.12724	4.2
227.10678	5.5
229.10251	4.6
229.12216	15.3
230.10831	4.3
231.10068	6.2
231.11777	5.9
231.13783	52.7
233.13260	6.8
234.10432	3.7
237.12794	8.4
239.10603	4.6
241.12196	16.0
243.09972	6.5
244.12479	4.0
245.11754	10.6
246.10399	3.4
246.14032	3.4
247.11177	5.5
247.14668	3.5
249.12733	7.7
251.14299	5.0
256.12567	4.5
257.09451	3.9
258.10193	2.9
258.14047	3.8
259.10971	4.7
259.13263	34.0
260.11905	5.6
261.12741	9.0
267.13919	4.0
269.09732	3.1
269.13272	5.7
271.14847	3.7
272.11816	3.5
273.12726	7.4
273.16473	3.7
274.13641	3.6
275.14429	4.8
277.16437	3.3
279.30814	2.9
282.13800	3.6
283.11069	5.2
285.12720	6.3
285.16275	3.4
286.13611	4.2
287.14233	8.4
289.15857	2.9
297.12708	7.9
298.13458	4.0
299.14233	8.0
299.17661	3.0
301.15720	5.9
303.14023	3.7
303.17368	4.6
311.14200	6.6
312.15140	5.4
313.15915	9.8
314.13269	4.1
315.17535	7.2
317.15601	2.9
317.19003	11.0
319.15628	3.6
320.00784	3.5
324.98392	2.8
326.16687	5.2
327.17572	14.7
328.18234	6.7
329.15247	8.8
329.18872	5.3
340.14401	3.2
341.18948	12.7
345.18451	11.2
346.19162	3.2
347.16452	6.9
354.16028	3.8
357.18500	7.3
359.20004	12.3
363.19693	3.3
369.18582	24.8
375.19678	17.4
377.21176	20.5
387.19568	75.8
405.20624	72.5
423.21527	9.6
447.21915	13.5
465.22720	25.9
473.23447	5.1
525.24725	12.5
533.25000	4.9
593.27557	23.1
611.29199	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	611.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
55.01872	2.1
55.05511	60.3
57.03453	0.7
62.74496	0.7
65.03951	0.8
67.05502	2.7
69.03417	3.6
69.07060	2.2
69.22127	6.3
79.05498	6.8
81.03429	2.4
81.07061	2.8
83.01349	0.8
83.04984	100.0
85.06513	0.6
91.05479	16.7
93.07046	8.1
94.78666	0.6
95.04969	5.4
95.08601	3.3
97.06496	0.8
98.21462	1.1
101.05959	0.6
103.05449	3.6
105.07034	16.9
106.62302	0.7
107.04976	2.0
107.08590	4.0
109.06521	1.9
111.08144	0.7
115.05463	4.6
116.06235	1.7
117.07013	8.6
119.04955	3.2
119.08581	17.4
121.02882	1.1
121.06503	3.5
121.10166	2.9
123.04411	0.7
123.08064	1.5
128.06201	4.8
129.06992	6.7
130.07806	2.3
131.04930	3.0
131.08569	19.6
133.06488	10.1
133.10133	9.5
135.08086	5.5
137.09676	0.7
141.07004	3.2
142.07771	6.2
143.04942	1.3
143.08571	12.0
145.06467	5.7
145.10121	12.4
147.04446	0.7
147.08049	7.5
147.11751	1.1
149.05991	1.9
149.09641	6.8
151.07541	1.2
153.07019	2.3
154.07813	1.6
155.06070	0.7
155.08543	6.8
156.09349	7.4
157.06509	3.7
157.10132	20.0
158.07294	1.3
159.08058	9.2
159.11726	3.3
161.05989	11.8
161.07237	0.8
161.09624	6.2
163.07574	2.9
163.11176	5.4
165.06989	2.6
165.09120	1.6
166.07828	0.9
167.08580	2.7
168.09389	1.7
169.06522	1.4
169.10133	9.2
170.07274	0.8
170.10916	7.9
171.08052	11.3
171.11684	30.4
172.08722	1.0
173.06075	0.7
173.09653	10.5
173.13258	1.6
175.07545	9.5
175.11176	2.0
177.05496	1.4
177.09091	5.6
178.07932	0.7
179.07065	4.2
179.08615	3.3
180.09447	0.9
181.06677	1.0
181.08723	1.0
181.10126	4.6
182.10919	1.7
183.08086	4.5
183.11690	20.8
184.08881	1.7
184.12344	1.6
185.09648	7.7
185.13255	17.6
186.10376	1.1
187.07619	2.1
187.11151	4.0
189.05502	1.7
189.09093	4.4
191.06961	1.1
191.10719	0.9
192.09276	1.3
193.08665	3.4
193.10025	3.1
193.11893	0.6
194.10919	1.9
195.08064	1.8
195.11679	6.4
196.08902	1.3
196.12384	0.7
197.09624	6.2
197.13269	4.1
198.10428	4.2
199.07564	2.5
199.11189	11.1
200.11945	1.0
201.09027	3.3
201.12715	3.5
202.08076	0.7
203.07076	1.2
203.08849	0.9
203.10698	1.8
204.09288	0.8
205.08511	1.3
205.10219	1.5
205.12289	2.1
206.10924	2.0
207.11693	6.8
208.08948	0.9
208.12479	1.6
209.09647	1.9
209.13264	3.7
210.10466	0.9
211.07739	1.2
211.11168	13.0
211.14592	0.8
212.11897	1.1
213.09480	1.3
213.12741	26.4
215.08777	1.0
215.10765	1.7
215.14517	0.7
216.09377	0.8
217.08440	1.1
217.10178	2.2
217.12306	1.5
218.10872	1.4
219.08267	0.8
219.11794	3.8
219.13576	0.6
220.08989	0.8
220.12422	3.8
221.09689	2.1
221.13281	5.1
222.10419	1.2
222.13989	0.8
223.11282	4.4
223.14861	2.0
224.11984	1.0
225.09093	1.1
225.12810	2.2
227.10760	1.5
229.08427	1.1
229.10310	1.3
229.12059	3.6
230.10919	2.3
231.10066	2.3
231.11757	3.9
231.13885	1.8
232.12462	3.3
233.09731	1.3
233.13403	4.4
234.10381	1.0
234.14030	3.4
235.11243	2.7
235.14841	4.1
236.11961	1.2
237.12805	4.7
237.16371	1.1
239.10776	1.4
239.14317	1.2
241.10226	1.3
241.12361	1.5
242.10941	1.0
243.11789	4.9
243.13800	4.6
244.12463	3.9
244.14594	0.7
245.13260	4.6
245.15489	6.3
246.10385	0.8
246.14122	3.3
247.11252	2.8
247.14961	4.6
248.12006	1.8
248.15620	1.8
249.12802	2.9
249.16414	5.4
251.10648	0.9
251.14389	1.3
253.12370	0.8
255.11668	2.4
255.14034	1.0
256.12503	2.6
257.13330	6.3
257.15509	0.9
258.14056	7.1
259.11285	1.5
259.14868	8.8
260.12064	1.7
260.15677	2.7
261.12933	4.3
261.16461	4.1
262.13562	2.6
263.11102	0.6
263.14307	3.2
263.17950	2.3
264.14948	0.8
265.05389	0.8
265.12363	1.0
265.16125	1.0
267.14197	0.9
269.13263	2.5
269.15787	1.1
270.10999	0.6
270.14032	4.3
271.11053	1.5
271.14828	3.6
272.12286	1.1
272.15671	5.0
273.14951	6.1
273.16501	6.1
274.13507	2.2
274.17065	1.4
275.14322	3.5
275.18015	2.5
276.15042	2.0
277.13132	0.6
277.15915	4.5
281.13049	1.3
282.14059	1.8
283.11157	1.6
283.14807	2.0
284.12219	1.4
284.15768	2.3
285.12805	3.1
285.16452	5.4
286.13815	1.4
286.17255	1.8
287.10254	0.8
287.14230	3.3
287.17975	4.5
288.11816	0.8
288.15158	2.4
289.11966	1.0
289.16196	1.3
289.19443	0.7
291.17389	4.8
295.14691	0.9
296.15561	1.1
297.12735	1.9
297.16238	1.5
298.13556	2.8
299.14307	4.1
299.17953	2.4
300.15149	1.9
301.12479	1.0
301.15863	3.5
301.19272	1.2
302.12802	0.8
302.16528	0.9
303.04956	1.2
303.13892	2.1
303.17493	4.3
305.15552	1.0
305.18991	1.2
307.16898	0.9
311.14389	0.9
311.17828	0.9
312.15106	2.0
313.12408	1.1
313.15930	5.3
314.16626	1.7
315.14041	1.2
315.17447	4.9
316.14670	2.0
317.15347	2.8
317.19073	1.8
319.13712	0.9
319.16904	4.1
321.18515	1.2
323.20142	1.0
324.15253	1.4
326.13077	1.0
326.16617	1.0
327.13916	1.3
327.17474	4.0
328.14856	0.8
329.15305	1.8
329.19107	3.1
330.16138	1.1
331.16928	26.9
333.18539	4.1
335.16345	1.3
335.20108	0.9
340.14731	1.0
341.15341	2.8
342.15891	0.9
343.16937	2.0
345.14902	0.6
345.18515	10.1
347.16364	2.0
347.20184	1.6
349.17960	4.9
351.19653	2.4
355.16769	4.2
357.18597	5.2
358.15952	0.7
359.16351	6.5
359.20181	1.7
361.17975	2.3
363.19571	2.6
369.18509	2.0
373.18002	12.5
375.19641	8.7
377.17474	5.7
377.21188	1.0
383.16449	1.8
387.19525	5.7
391.19012	8.7
401.17416	6.4
403.18976	0.8
405.15710	1.2
405.20648	14.1
407.22375	1.3
409.20114	1.6
410.20682	0.9
411.21698	11.8
415.18768	3.1
419.18442	6.0
421.19803	0.8
423.21689	6.1
433.20139	14.6
449.23148	1.3
451.21118	16.8
459.21524	1.5
461.19363	0.9
465.22757	24.7
466.23047	0.7
467.24216	1.0
475.21524	0.8
477.22830	2.0
479.20700	1.7
491.24567	1.8
493.22220	10.9
511.23145	9.9
519.24005	2.1
523.26855	2.4
533.25244	2.5
551.26434	13.8
611.28516	64.3
612.28143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.2
54.53226	2.5
55.01867	5.9
55.05513	23.3
67.05498	8.3
69.03429	100.0
69.07047	6.3
76.06913	3.2
79.05485	20.2
81.03419	4.8
81.07049	9.3
83.04983	30.3
84.84235	2.7
91.05480	45.1
91.15780	3.1
93.07056	15.4
93.07543	3.0
95.04948	8.8
95.08587	4.0
98.20753	5.1
103.05460	24.5
105.06387	5.3
105.07037	68.4
105.07685	2.4
107.04926	10.6
107.08591	8.8
109.06517	3.6
115.05457	19.2
116.06207	4.2
117.07019	28.8
119.04934	6.0
119.07797	5.6
119.08591	55.5
121.06472	6.0
121.10151	7.0
123.08109	4.3
123.11510	2.9
128.06235	29.5
129.07005	22.0
129.58601	2.8
130.07771	6.0
131.04942	18.9
131.08569	35.7
133.05469	4.1
133.06485	63.5
133.10136	40.2
135.08061	5.9
141.06955	10.1
142.07787	16.2
143.08560	49.4
144.09303	3.8
145.06491	43.4
145.10132	33.0
147.08047	55.5
147.11603	4.1
149.05940	3.9
149.09621	11.3
153.06987	6.7
154.07794	5.3
155.08553	20.8
156.09349	20.6
157.06418	4.5
157.10133	52.3
158.07225	3.9
159.04431	5.5
159.08044	34.9
159.11665	11.4
161.06000	21.5
161.09608	35.3
163.07570	4.7
163.11172	9.9
165.06995	10.5
165.08986	3.4
166.07822	4.2
167.08565	8.3
168.09320	9.5
169.10130	28.8
170.10933	15.6
171.08078	26.4
171.11685	83.1
172.08717	3.5
173.06024	5.5
173.09610	34.1
173.13324	4.2
175.07497	8.2
175.11223	6.7
175.21233	3.2
177.09119	4.8
179.08553	12.2
179.10628	2.9
180.09323	6.5
181.10100	16.6
182.10898	5.7
183.08020	13.6
183.11707	56.0
185.09639	29.2
185.13258	53.1
187.07578	4.2
187.11230	16.0
189.09055	7.0
191.08536	3.9
191.10565	3.7
193.10135	13.9
195.08046	3.5
195.11674	19.6
196.08846	4.1
196.12312	3.5
197.09657	15.1
197.13228	14.1
198.10384	5.5
199.07458	6.9
199.11215	23.7
200.11836	7.8
201.09113	13.3
201.12688	8.4
202.07956	3.4
203.08588	7.1
203.10649	7.0
204.09425	5.0
205.10284	5.6
205.12141	6.8
206.10844	5.4
207.11681	15.4
209.09550	7.3
209.13222	10.4
211.11217	23.1
213.09113	5.0
213.12750	57.3
215.08618	5.9
215.10606	6.7
216.09274	6.8
217.08365	16.8
217.10208	8.5
217.12309	8.3
218.10901	7.0
219.11833	16.5
220.12437	6.2
221.09706	4.8
221.13303	7.3
222.14052	3.6
223.11176	11.1
223.14723	5.0
225.08981	5.8
225.12741	5.0
227.10655	6.6
228.09294	3.9
229.08560	12.1
229.10332	6.5
229.12231	13.3
230.10887	10.2
231.11661	15.8
231.13792	13.4
232.12428	8.1
233.09587	4.5
233.13431	16.8
237.12711	5.2
240.09483	3.2
241.10060	9.1
241.12241	9.2
242.10851	9.2
243.11905	15.4
243.13831	16.6
244.12433	9.5
245.11591	12.7
245.13278	14.4
245.15385	39.7
246.10342	4.9
246.14070	5.4
247.11148	13.1
247.14789	10.2
248.11925	3.2
249.12631	8.2
251.14174	3.0
253.10080	4.7
255.11636	23.6
255.13869	6.5
256.12491	8.9
257.13370	18.9
257.15533	4.6
258.13950	9.8
259.11060	6.8
259.15137	5.1
260.15625	6.3
261.12717	12.0
261.16281	10.1
262.13681	3.4
263.14349	6.2
267.11636	7.3
269.13278	18.5
270.14093	18.8
271.10892	5.8
271.14746	10.7
272.12009	4.4
272.15460	6.0
273.12500	8.7
273.14664	19.8
274.13528	4.0
275.14532	6.4
275.17865	11.0
277.12076	3.8
283.11179	7.5
283.14838	7.3
284.12079	4.0
284.15527	9.9
285.12741	12.2
285.16336	27.4
287.14297	18.2
287.17511	5.9
288.15140	6.9
289.15863	7.2
295.14661	4.9
297.12671	6.0
298.13525	6.8
299.14249	8.8
299.17911	14.0
300.14874	5.3
301.12418	5.8
301.15793	14.6
303.04947	15.2
303.17355	22.7
304.12222	5.3
312.15155	5.0
313.15829	29.3
314.16638	6.0
315.13901	5.5
315.17374	14.6
316.14575	3.6
317.15518	5.2
317.18741	17.7
326.16562	3.9
327.17413	35.7
329.15302	4.9
331.16971	15.9
335.19971	4.1
343.16830	12.2
345.18497	33.5
347.16235	5.4
347.19977	7.4
355.16803	15.9
359.17096	2.6
359.20132	24.2
363.19574	7.0
369.18539	6.5
373.18027	26.4
375.19528	22.0
377.16968	4.6
377.21320	31.2
387.19595	47.1
391.18857	13.0
405.20538	58.2
419.18005	4.3
423.21481	8.8
433.20197	5.5
437.23007	9.2
441.20972	4.1
447.21426	7.1
451.20935	9.0
465.22879	23.8
473.22983	6.0
491.24643	4.0
515.23962	3.7
519.22626	3.5
525.24823	9.3
533.25470	3.9
551.26123	4.9
579.25635	10.5
593.27161	7.0
611.28186	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	611.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.2
55.05510	0.3
56.18448	0.1
57.03442	0.3
65.03943	1.3
67.05508	0.7
68.99797	0.2
69.03435	1.5
69.07074	0.7
70.79311	0.3
70.79636	0.3
71.04993	0.6
72.23546	0.1
74.06085	0.3
79.05497	0.6
81.03430	1.9
81.07057	2.2
83.08630	0.4
85.02928	1.5
85.06560	0.5
91.05486	11.7
92.07094	0.3
93.03448	0.3
93.07065	0.7
95.04985	0.5
95.08615	1.4
97.02898	0.4
97.10167	0.3
99.04456	0.3
99.08094	0.3
99.15530	0.2
103.05453	0.2
105.07034	0.4
106.62403	0.2
107.08602	0.9
109.02895	0.9
109.06508	0.3
109.10145	1.1
111.00773	0.4
111.08115	0.2
119.04952	27.6
119.08588	0.3
121.02900	0.4
121.06570	0.3
121.10159	0.6
123.11700	0.5
126.50950	0.2
127.03953	1.0
127.04774	0.2
129.05544	0.2
131.04927	0.3
131.08539	0.4
133.06473	0.2
133.10216	0.2
135.11693	0.4
137.02364	1.2
137.05983	0.2
143.08635	0.2
145.04974	0.2
145.06549	0.2
145.10162	0.4
147.04416	100.0
148.04764	0.2
148.72885	0.2
149.02351	0.2
149.13277	0.4
153.01836	1.9
159.08130	0.4
161.05983	0.2
161.13283	0.2
163.03954	0.3
163.14896	0.3
165.01851	1.0
165.05507	0.7
167.07083	0.4
171.11685	0.2
175.14713	0.2
183.02888	0.3
183.04379	0.2
187.03867	0.2
187.11215	0.4
189.12799	0.2
201.05479	0.9
201.12698	0.3
229.04916	1.9
231.13823	0.7
247.05997	0.4
249.14914	0.2
257.04456	1.5
269.17584	0.3
273.25961	0.2
279.26843	0.4
285.04050	0.5
287.05673	0.3
291.08627	1.8
291.26892	0.4
303.05002	45.6
304.05344	0.3
309.09787	0.7
309.28052	0.5
327.29156	0.2
344.27893	0.2
345.06122	0.3
543.30176	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1606
Annotation	Rutine
Peak:m/z	Relative Intensity
55.01856	0.5
57.03441	2.3
61.02928	0.5
65.55730	0.3
66.06198	0.3
68.99771	0.5
69.03413	1.1
70.01056	1.3
71.05001	11.5
73.02919	0.6
81.03430	0.7
83.04966	0.7
85.02911	14.8
87.04471	0.6
97.02897	1.1
98.20879	0.5
99.04468	0.3
109.02881	0.6
111.00846	0.9
121.02876	0.8
127.03905	1.2
129.05486	2.5
132.56041	0.3
137.02345	3.3
145.04982	0.7
147.06560	0.9
147.50433	0.3
149.02357	0.6
153.01840	4.3
163.03900	0.7
165.01880	2.3
167.58162	0.3
173.06029	0.6
183.02890	0.8
187.03809	0.5
191.07104	0.4
201.05508	1.5
205.05095	0.3
211.34343	0.4
215.03468	0.5
229.04970	5.3
247.05980	0.6
257.04459	3.6
274.04684	0.6
285.03867	1.9
303.05014	100.0
304.05322	0.6
348.57773	0.4
465.10410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1395
Annotation	56343-26-1
Peak:m/z	Relative Intensity
51.02380	0.1
53.03942	0.3
55.05519	0.1
57.03435	0.2
65.03942	0.9
69.03430	1.1
69.47945	0.5
69.48364	0.4
71.05016	0.2
74.88570	0.1
75.13302	0.1
81.03423	3.4
81.07072	0.3
85.02905	1.1
89.21175	0.1
91.05486	9.5
92.05744	0.1
95.08611	0.2
97.02887	0.5
97.90023	0.1
99.04449	0.3
100.07636	0.2
109.02887	1.3
119.04948	22.4
121.10172	0.2
126.99382	0.1
127.03923	0.5
130.99139	0.1
131.04866	0.1
137.02310	0.6
144.93106	0.1
145.02831	0.1
147.04414	100.0
148.04770	0.3
153.01862	0.4
163.03993	0.2
165.01839	0.5
165.05478	3.1
183.03000	0.2
201.05600	0.2
207.75563	0.1
229.04977	0.9
247.05949	0.1
249.07553	0.1
252.35689	0.1
257.04370	0.7
274.04706	0.3
285.03857	0.3
291.08630	5.1
303.05005	18.1
309.09741	2.4
345.06058	0.2
426.43668	0.1
487.45319	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	610.469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.9
55.05312	2.5
55.05519	32.4
57.03432	11.1
57.07062	6.2
65.14764	2.6
67.05516	90.7
68.05824	2.7
69.07082	33.7
70.12766	10.3
79.05505	44.7
80.05829	3.4
81.06583	4.3
81.07067	85.1
83.04987	3.6
83.08624	18.9
85.06527	4.2
85.42551	2.4
90.87022	2.4
91.05470	35.4
92.05803	6.8
93.07053	47.8
95.08620	86.0
97.06517	7.4
97.10190	18.4
99.08090	3.4
105.07022	22.3
106.07336	4.4
107.08620	27.0
109.09567	2.8
109.10169	31.6
111.08088	4.3
111.11722	4.6
111.59956	2.9
117.07006	10.9
118.07394	3.2
119.08578	20.4
121.10160	37.4
123.11711	12.5
125.09674	6.8
131.08609	19.4
133.10144	15.9
135.11696	21.1
137.09590	4.2
143.08546	6.6
143.98546	3.3
144.99243	2.7
145.10130	9.1
147.11696	12.1
149.13261	6.0
151.11235	3.5
157.10075	5.1
159.11687	7.9
161.13281	8.1
169.10146	4.5
171.11676	4.5
173.13263	3.6
175.14798	3.3
179.14304	2.6
189.16394	13.4
207.17342	4.6
241.19461	4.2
257.18890	2.7
259.20602	19.0
275.20056	3.3
277.21576	9.5
297.51859	3.1
299.22192	100.0
315.23132	4.6
333.24240	16.9
351.25345	38.8
355.07172	4.5
434.69537	2.8
557.42065	7.3
575.43134	56.3
610.27283	11.7
610.45538	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.8
55.01875	8.4
55.05508	1.7
57.03424	4.6
61.02909	4.2
67.05483	3.3
68.99772	2.9
69.03092	2.1
69.03436	24.9
69.07069	2.9
70.06557	1.2
70.90282	2.6
71.04977	3.6
73.02930	5.6
77.85986	0.9
79.05478	2.8
81.02987	1.7
81.03423	28.1
81.07062	6.9
83.04980	1.4
83.08598	1.8
85.02908	64.1
87.00832	26.7
91.03933	2.3
91.05462	2.7
93.07035	3.6
94.04199	1.9
95.04953	4.1
95.08616	5.1
97.02293	2.1
97.02895	32.3
97.06533	1.1
99.04460	11.4
100.88227	1.0
103.05460	5.7
105.01189	1.6
105.01871	23.5
105.07043	5.9
106.07331	1.2
107.04935	1.8
107.08599	2.7
109.02882	30.7
109.06515	1.3
109.10136	4.4
111.04459	2.5
117.01823	3.5
117.07034	1.1
119.08575	1.6
121.06498	3.5
121.10118	1.8
122.03615	4.4
123.11731	1.9
127.03923	52.7
128.95847	1.0
129.01831	3.0
129.06963	1.0
131.04916	7.7
131.08542	1.2
132.94653	1.2
133.06503	17.9
135.08090	5.9
135.11719	1.2
137.05981	100.0
138.14861	1.1
143.08488	1.8
145.04962	21.2
145.06496	2.1
145.10106	1.8
147.02904	2.5
147.08055	3.0
147.11703	1.9
149.05899	1.6
151.07515	6.8
157.10100	1.7
159.02890	12.7
159.08028	1.7
159.11607	1.3
159.65645	1.2
161.06017	6.0
163.07556	27.2
167.55043	1.0
171.08029	1.6
175.07539	2.8
177.05365	1.0
177.09128	1.3
181.08598	1.7
181.12115	1.0
187.07549	3.6
189.03915	1.5
189.09067	4.3
197.04405	1.4
197.06041	1.4
201.09052	2.9
203.06923	2.4
203.10646	1.8
213.03972	2.6
213.09088	1.1
219.10037	1.3
229.08499	3.4
231.04984	11.4
247.09557	2.2
249.06009	1.2
295.13284	15.1
303.04901	2.4
303.12979	1.0
307.26401	2.2
308.26669	3.9
325.14249	1.7
326.27661	1.9
327.15903	31.4
338.51443	1.3
345.16815	4.8
351.15970	8.4
369.17007	12.2
393.17017	2.2
411.18008	11.3
435.17917	7.3
453.19019	5.0
539.19055	1.5
610.29681	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
54.13841	0.7
55.01875	1.1
55.05265	1.0
55.05515	12.8
57.03437	3.1
57.07060	1.0
65.03932	1.7
67.05513	20.1
69.03444	0.7
69.07076	9.8
69.48672	4.5
70.67270	0.7
71.04996	1.1
71.08609	0.6
79.05503	14.7
81.07066	18.4
81.88029	0.6
83.04971	1.5
83.08633	5.2
85.06567	1.3
91.05487	12.6
93.07060	15.5
95.04987	2.0
95.08615	17.3
97.06535	1.6
97.10168	3.6
105.07045	11.8
107.08607	11.2
109.06505	0.6
109.10159	7.5
111.08099	1.8
115.05428	1.2
116.32790	0.6
117.07034	8.8
119.08594	11.8
121.10159	7.3
123.08156	0.7
123.11708	2.2
125.09653	0.9
125.14233	0.7
128.06207	1.5
129.07011	7.9
130.07774	0.8
131.08586	11.7
133.10139	9.2
135.11713	4.3
141.06975	4.2
142.07797	2.9
143.08589	10.9
144.09315	0.8
145.10127	12.4
147.11690	4.9
149.09641	1.0
149.13312	1.6
153.07027	1.4
154.07750	0.7
155.08563	8.8
156.09358	1.5
157.10150	12.7
159.11714	8.5
161.13297	3.2
163.11130	0.9
165.07042	1.2
166.07813	0.8
167.08609	3.2
168.09343	1.2
169.10153	11.0
171.11696	9.9
173.13303	5.4
175.14908	1.0
179.08572	2.0
181.10126	6.6
182.10863	1.1
183.11723	13.5
185.13254	7.5
187.14888	3.4
189.16425	1.3
191.08597	0.7
193.10144	1.8
195.11716	8.0
197.13281	9.6
199.14882	6.3
201.16351	1.6
207.11743	2.8
209.13315	7.0
211.14835	6.6
213.16473	3.7
215.18198	0.8
221.13367	2.7
223.14896	4.6
225.16399	3.9
227.18097	2.9
229.19614	0.9
233.13257	1.0
235.14926	2.3
237.16472	3.6
239.18004	3.5
241.19534	1.7
249.16391	0.7
251.17970	2.4
253.19632	1.1
257.19144	2.0
263.17978	1.2
265.19586	1.4
269.18875	0.8
275.20184	2.2
279.21384	0.9
281.22876	0.9
291.21027	1.0
293.22891	0.7
297.22211	1.2
309.22159	1.3
311.19943	0.9
311.23572	0.9
321.22247	1.3
323.23752	1.8
335.23544	0.9
337.25305	1.8
349.25266	1.0
351.26797	1.9
363.26801	1.0
365.28461	0.9
369.28046	1.0
377.28220	0.8
391.30029	1.2
406.20847	0.8
407.29233	0.8
418.17014	0.8
419.17902	1.5
432.19110	1.2
433.19879	2.1
433.30057	0.9
434.20203	0.8
435.20944	1.1
447.21466	1.8
447.32498	1.3
448.22293	3.1
449.22644	1.4
473.32697	1.0
475.20819	0.7
476.21536	3.4
477.21893	0.9
493.21994	0.7
499.39532	1.8
502.82938	0.7
517.40533	9.9
521.25110	3.0
535.41864	5.7
536.23621	1.9
539.37549	1.2
549.24097	4.1
550.25409	1.3
553.41571	0.9
560.72046	0.8
573.42883	1.3
581.26953	1.7
591.44165	13.7
609.26556	45.9
609.45148	100.0
610.27057	2.5
610.45288	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08332	3.0
53.03932	5.5
55.01884	4.0
55.05514	26.0
67.05499	16.4
69.03419	10.2
69.43710	18.6
69.78028	3.1
70.60258	3.3
79.05486	11.3
80.11086	3.1
81.03410	12.9
81.07037	7.8
83.04977	46.4
85.02426	3.8
85.02915	45.6
91.05471	14.3
93.07040	11.2
95.04970	55.1
95.08613	6.5
105.03396	20.8
105.07034	17.8
106.85295	3.3
107.04945	8.5
107.08586	8.4
109.06503	7.1
117.07050	5.5
119.08596	13.5
121.06494	12.3
121.10152	4.1
126.77977	3.3
128.06259	4.5
129.07011	4.9
131.08556	9.4
133.06482	7.3
133.10112	6.3
135.08066	10.3
142.07756	8.7
143.08553	11.6
145.06458	12.5
145.10110	8.2
147.08055	5.0
155.08580	8.1
157.10095	10.9
159.08063	7.0
159.11725	7.5
161.09569	4.3
165.06911	3.5
167.08501	7.5
168.09418	3.8
169.10135	33.4
170.07269	3.8
171.08022	6.1
171.11687	7.8
173.09685	6.3
179.08559	7.6
180.09372	4.0
181.10168	5.4
183.11659	13.0
185.09679	22.9
185.13181	5.1
187.11154	14.6
192.09283	6.4
193.10069	9.7
194.10936	4.9
195.11671	7.2
197.09576	4.4
205.10141	8.3
206.10898	12.6
207.11690	17.1
209.13292	12.8
211.11198	4.3
211.14835	10.1
213.12686	5.2
217.10133	9.4
218.10846	6.3
219.11673	11.5
220.12488	10.4
221.13295	20.7
229.10164	9.2
230.10883	7.6
231.11644	13.2
232.12505	9.1
233.13263	14.4
234.14133	7.8
235.14861	14.9
237.12743	4.2
243.11688	7.7
244.12479	6.8
245.13257	11.4
246.13940	8.1
247.11143	3.6
247.14830	12.6
249.12834	4.4
249.16460	17.2
255.11665	4.9
257.13223	8.3
258.14117	4.0
259.14822	3.8
260.15665	6.6
261.12625	5.4
261.16425	8.8
263.14227	3.7
265.16016	4.5
267.17331	3.7
269.13214	6.0
270.13968	5.3
271.11163	4.4
271.14874	5.8
273.12619	4.5
275.17999	15.9
277.15756	6.8
285.12869	5.8
285.16379	6.1
287.14313	8.0
289.15967	8.2
295.14767	7.9
299.14334	12.2
300.14996	3.9
301.15814	10.7
303.17484	6.7
310.17188	5.3
313.15887	16.9
314.16550	4.1
315.17474	14.2
315.20975	6.2
319.16913	3.4
325.19415	6.0
327.17395	13.7
328.18146	12.9
331.16864	4.8
342.19684	8.2
343.20572	100.0
345.18454	25.0
353.19080	6.9
361.21661	37.4
371.20093	47.0
389.21130	39.3
431.22232	58.9
433.31094	6.4
444.02133	3.7
449.23068	12.0
451.31952	5.4
609.27234	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	609.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77532	4.9
53.03955	8.3
55.05521	22.7
60.48120	3.9
67.05513	38.6
69.03437	14.8
69.07075	46.1
70.06593	9.6
71.04989	7.7
71.55244	5.2
78.04644	4.9
79.05494	21.0
81.03413	13.2
81.06593	5.3
81.07063	72.5
83.04982	27.4
83.08619	17.1
85.02892	15.5
87.00844	7.1
91.05480	18.3
93.07047	33.7
95.04959	46.4
95.08613	80.6
97.02927	6.3
97.06518	13.5
97.10168	11.6
99.08160	5.5
100.07624	17.6
105.01897	8.4
105.07030	37.0
107.08611	37.2
109.02828	6.4
109.06507	7.1
109.10167	63.7
111.04467	7.6
111.11694	11.4
113.05998	14.3
119.04969	6.8
119.08611	24.9
121.10129	28.6
123.11745	29.7
127.03920	14.3
131.04993	4.7
131.08572	10.7
133.10159	27.7
135.08081	5.3
135.11688	19.5
137.13246	16.4
145.10155	12.8
146.08136	4.7
147.11685	19.5
149.09538	4.8
149.13269	21.1
151.11205	5.9
155.10518	5.5
159.11769	11.6
161.13185	13.6
163.11296	7.2
163.14883	16.0
167.07074	6.2
169.10085	5.6
173.13182	5.4
175.14854	13.4
177.16362	7.5
179.03465	8.2
187.14825	6.1
189.16393	9.6
201.12398	5.3
203.18010	6.4
205.19566	6.1
207.02901	7.6
215.18024	7.1
245.22813	4.9
249.06221	6.4
255.18620	4.6
256.59360	6.0
259.90976	5.4
271.24225	26.0
289.25272	30.4
307.26309	100.0
337.19534	4.9
351.08432	5.8
415.10165	23.9
447.12799	17.4
609.23328	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	609.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42076	3.2
53.03946	7.8
55.01866	4.7
55.05505	13.5
67.05515	16.5
69.03423	8.2
69.07052	10.7
70.67756	8.3
71.04988	4.0
79.05493	21.0
81.03417	9.0
81.07047	21.4
82.28136	2.9
83.04986	13.0
83.08604	4.1
85.02883	6.9
91.05487	26.7
93.07041	20.9
95.04949	13.2
95.08609	16.0
97.02876	3.3
97.06544	4.8
99.04510	3.5
103.05420	3.8
105.03402	46.7
105.07035	29.2
107.04934	4.1
107.08603	22.6
109.06541	19.5
109.10150	7.6
117.07007	10.8
119.08591	23.0
121.06497	6.7
121.10123	7.3
128.06259	7.7
129.07027	9.9
130.07811	5.1
131.04904	5.9
131.08583	21.0
133.06549	6.8
133.10133	25.1
135.08075	7.4
135.41669	3.2
137.05986	8.1
142.07811	11.1
143.08543	24.0
144.09279	4.0
145.06479	3.5
145.10135	29.8
147.08057	10.6
147.11700	9.0
149.09612	9.3
149.47824	3.7
151.11171	4.4
153.06990	3.5
154.07759	6.2
155.08546	19.0
156.09351	14.9
157.10130	29.0
159.08061	13.4
159.11662	20.1
161.09616	14.8
161.13298	4.0
163.07541	4.5
163.11143	4.7
165.07014	4.0
166.07657	4.4
167.08525	10.7
168.09323	7.6
169.10124	42.3
170.10884	9.4
171.08049	11.8
171.11691	37.8
173.09612	18.6
173.13289	8.5
175.07477	5.2
175.11232	9.7
177.09180	8.3
179.08534	5.2
180.09326	6.8
181.10101	16.7
182.10866	7.5
183.11708	100.0
185.09605	10.3
185.13268	35.7
187.11145	8.4
187.14952	4.2
189.09122	5.9
191.10611	4.6
193.10144	13.3
195.11705	37.2
196.12407	5.0
197.13274	19.5
199.11142	10.9
199.14819	4.4
201.12747	10.7
203.10773	4.1
205.10234	6.1
205.12172	5.0
206.10799	7.6
207.11717	20.9
208.12517	4.6
209.13226	25.4
211.11130	4.8
211.14836	9.5
213.12738	18.5
213.16212	5.4
215.14362	7.1
218.10883	6.0
219.11734	12.4
220.12508	5.2
221.09700	4.2
221.13231	22.1
222.14058	6.9
223.14828	16.9
225.16437	4.5
227.14325	5.1
229.10168	5.7
230.11020	4.1
231.11729	8.2
231.13872	9.1
232.12627	4.1
233.13243	9.6
235.14798	15.6
237.12645	5.0
237.16420	10.2
239.14374	4.6
243.13799	5.5
244.12564	4.0
245.13373	6.0
246.14011	5.3
247.14861	13.9
248.15536	4.8
249.12611	4.8
249.16362	10.6
255.11566	4.3
261.16592	4.6
263.17865	6.8
265.15912	5.0
267.17581	3.3
270.13934	4.2
271.14828	5.8
274.13367	5.6
275.14517	3.5
277.15933	4.5
277.19455	8.1
281.15588	3.4
287.17850	4.1
289.16010	4.5
291.17563	4.6
293.15823	3.8
303.14108	4.0
307.16943	4.3
307.20432	6.2
309.18430	4.7
315.17554	6.0
321.18292	5.1
325.21756	8.6
333.18420	14.7
335.20154	4.9
337.21667	6.9
343.20609	7.4
345.22134	7.6
347.20038	10.8
349.17633	4.4
349.21622	5.0
355.20941	4.1
361.21652	25.2
363.23166	9.9
365.20932	3.7
373.21576	20.9
379.22775	7.6
381.29276	3.5
385.17932	8.1
391.22702	53.5
403.18787	9.0
409.23721	28.3
427.23953	4.3
609.26361	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54489	1.8
53.03947	3.3
55.01871	8.7
55.05516	54.2
63.92905	1.9
64.25120	2.0
65.03946	2.5
67.05510	10.9
69.03439	6.7
69.07076	7.8
69.20943	18.4
79.05493	14.0
81.03424	11.2
81.07081	9.7
83.04989	95.9
83.08639	1.8
85.02917	1.8
88.74538	1.7
91.05483	33.3
91.06013	2.5
93.07050	19.0
95.04989	16.6
95.08607	7.5
97.06506	2.5
103.05496	4.3
105.03397	3.3
105.07035	23.5
107.04955	7.3
107.08591	12.3
108.71690	1.8
109.06536	6.5
109.10185	4.3
111.04404	2.2
115.05463	8.4
117.07018	12.1
119.04919	3.5
119.08588	33.4
121.06518	4.4
121.10148	7.3
123.08028	2.2
123.96841	2.1
128.06218	12.5
129.07005	15.7
130.07727	2.2
131.04930	13.2
131.08577	20.1
132.05756	2.4
133.06514	4.3
133.10141	19.5
135.08073	9.1
141.07004	8.8
142.07791	8.3
143.08574	22.5
144.05731	2.5
145.06508	12.9
145.07489	1.9
145.10135	12.5
146.07256	3.4
147.08057	45.5
147.11772	3.8
149.06012	2.1
149.09639	9.2
153.07033	6.0
154.07806	4.3
155.08571	12.6
156.05780	1.9
156.09337	12.1
157.06528	4.3
157.10126	22.2
159.08084	26.5
159.11725	11.6
161.09645	55.9
163.07571	3.0
163.11267	2.9
165.07024	8.7
165.09134	6.6
166.07823	3.9
167.08618	9.8
168.09332	5.1
169.06528	5.3
169.10168	11.9
170.07275	2.7
170.10934	4.9
171.08044	15.1
171.11720	23.7
173.06024	7.7
173.09662	11.3
173.13255	7.4
175.07552	12.4
175.11246	3.7
179.08577	4.0
180.09283	3.3
181.06465	4.6
181.10129	6.4
182.07343	2.0
182.10921	5.7
183.08081	5.5
183.11737	19.0
184.08911	4.5
185.09633	14.0
185.13268	8.3
187.07568	12.9
187.11249	9.6
187.14781	4.5
189.09106	6.7
190.33328	2.3
191.08467	3.3
193.10237	9.0
195.08145	3.6
195.11661	11.6
196.08817	5.7
197.09668	13.9
197.11269	1.8
197.11575	2.1
197.13223	16.7
198.10361	2.2
199.11221	21.2
200.11893	1.9
201.09248	4.2
201.12782	9.7
203.08595	2.6
205.10194	5.0
206.10980	3.6
207.08206	2.7
207.11745	6.4
208.08911	4.2
208.12498	2.7
209.09650	5.5
209.13284	6.3
211.11229	26.5
213.12717	14.9
215.08693	2.5
215.10817	4.0
215.14317	14.3
216.09444	3.5
217.10201	5.8
218.11008	2.4
219.11717	4.4
221.09590	2.3
221.13261	4.8
223.11218	15.1
223.14832	3.7
225.09268	2.7
225.12766	10.0
227.10619	4.0
229.10127	6.6
229.12279	31.0
230.10893	6.3
231.11717	7.3
232.12471	3.1
233.09621	3.7
233.13274	5.4
234.10333	2.0
234.14061	3.4
235.11224	6.7
235.14847	4.1
237.09146	3.4
237.12773	5.6
239.10703	4.3
243.11734	3.9
243.13902	5.3
244.12555	3.6
245.09673	4.0
245.13333	8.6
246.10449	2.2
247.11241	4.6
247.14856	4.0
249.12766	7.5
249.16631	3.0
251.14471	2.1
253.10197	3.3
255.11681	6.3
257.09625	2.7
257.13220	4.1
258.14169	2.5
259.11176	4.0
260.15631	3.1
261.12823	7.4
261.16104	2.0
263.14346	6.7
269.09628	2.3
269.13351	3.7
270.14005	4.7
271.14932	4.0
272.11951	3.5
273.12790	8.6
275.14319	6.3
275.17804	4.2
277.16071	2.4
280.12460	3.3
281.13220	5.3
283.11133	9.6
283.14539	4.6
284.12033	4.4
285.12823	5.7
285.16391	5.7
287.14380	9.4
287.17303	2.0
288.15210	3.3
295.14966	2.8
296.11887	5.1
297.12732	11.1
297.16168	4.0
298.13553	7.6
299.10828	2.5
299.14285	6.2
301.12512	2.9
301.15900	5.4
303.14163	2.9
303.17484	8.3
307.14859	2.3
309.12735	10.3
310.13519	2.1
311.14258	9.1
312.15121	5.1
313.15753	23.9
314.13116	2.7
314.16617	4.6
315.13937	2.7
315.17432	5.6
317.18948	2.4
323.14197	14.4
324.15067	7.1
325.15891	3.6
327.13809	2.4
327.17386	7.2
328.18439	4.6
329.15479	5.6
329.18930	5.0
331.16925	17.7
337.18170	2.2
338.16608	11.7
339.17432	2.5
341.15311	5.3
341.19199	10.5
343.16864	3.7
343.20541	16.9
345.18491	8.3
347.19986	3.5
353.18933	29.8
356.17746	7.1
359.19986	3.0
361.21649	12.2
371.20105	100.0
372.20560	2.1
385.18408	2.2
387.19495	2.4
388.20544	2.0
389.21143	64.2
393.71289	2.0
405.20456	4.5
407.22269	5.6
409.23676	3.2
423.21570	3.8
431.22229	15.9
449.23288	30.4
491.24078	3.7
509.25433	10.5
591.29657	24.2
609.29877	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	609.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
53.62162	2.1
53.62426	1.8
55.01874	12.7
55.05515	37.4
67.05498	5.2
67.27606	1.9
69.03429	6.4
69.07076	10.2
70.01283	3.8
70.01676	4.8
73.00111	2.2
75.05138	1.8
79.05476	8.8
81.03415	11.2
81.07040	7.8
83.04984	49.3
85.01448	1.6
91.05484	23.4
93.07045	14.2
95.04990	10.9
95.05485	2.0
95.08612	4.3
98.20853	3.3
102.22850	2.1
103.05458	3.0
105.03351	2.6
105.07044	19.8
107.04930	6.3
107.08589	7.1
109.06514	4.7
109.10139	2.9
115.05464	4.9
116.06235	2.8
117.07037	10.6
119.08585	21.1
121.06509	5.0
121.10106	6.0
125.10738	1.8
125.87653	1.8
128.06209	10.5
129.06981	12.0
131.04929	5.7
131.08571	19.9
132.05614	2.1
133.06479	6.6
133.10143	22.0
134.28654	2.0
134.94589	1.6
135.08072	2.9
141.07014	12.5
142.07765	6.9
143.08543	23.7
144.05690	2.1
145.06488	15.0
145.10132	9.4
146.07324	5.4
147.08057	22.0
149.09634	4.6
149.99701	1.9
153.06956	5.8
154.07707	2.2
155.08554	11.2
156.09309	4.9
157.06485	6.2
157.10136	17.7
158.07283	2.5
158.11115	2.1
159.08066	30.8
159.11687	4.5
161.09628	100.0
163.11205	2.9
165.06990	4.7
165.09175	5.5
166.07822	5.0
167.08551	5.8
168.09340	8.6
169.06516	10.2
169.10173	12.3
171.08054	11.4
171.11725	14.3
172.08887	3.4
173.06055	5.6
173.09653	11.5
173.13284	6.3
175.07581	4.4
178.07747	3.0
179.08530	5.2
180.09283	2.2
181.06479	4.9
181.10088	9.7
182.07301	4.2
182.10933	3.9
183.08023	8.2
183.11719	19.2
185.09608	15.4
185.13216	3.5
186.10344	3.5
187.07544	24.7
187.11166	6.3
187.14783	2.8
189.09218	2.6
192.09346	3.2
193.10165	9.2
194.10883	3.3
195.08051	3.4
195.11679	6.2
196.08841	12.4
197.09631	7.3
197.13245	8.3
199.11203	14.7
201.12793	13.9
205.10164	3.0
207.11816	4.6
209.09619	7.8
209.13232	5.1
211.11177	42.6
213.12732	7.1
215.14311	6.8
217.10057	3.6
218.10892	3.1
219.11665	4.4
220.08937	2.5
220.12547	2.3
221.09673	2.6
221.13283	4.8
223.11215	13.0
225.09045	2.9
225.12744	3.8
227.10580	2.6
229.10341	3.1
229.12227	71.1
230.10918	4.3
231.11613	4.6
233.09697	3.5
233.13319	2.9
235.11137	6.0
235.14764	4.8
235.19406	2.4
237.09096	4.9
237.12746	6.5
239.10701	3.7
239.14154	2.6
241.12308	4.6
242.10864	2.8
243.11639	6.7
243.13829	3.2
244.12291	3.1
245.09688	3.5
245.13168	5.4
247.11237	3.6
247.14885	3.4
249.12746	6.4
249.16405	3.6
251.14323	6.8
255.11693	5.9
256.12445	2.7
257.13260	5.4
259.11102	3.8
260.11914	1.9
261.12753	5.5
263.14264	4.7
265.12256	2.8
267.11597	3.0
269.13293	3.3
270.14069	3.1
271.11118	4.1
271.15073	3.9
273.12747	7.6
273.16406	2.1
273.82193	2.3
275.14282	7.3
275.17731	2.5
277.15802	4.3
281.13229	4.7
283.11234	7.6
283.14627	3.2
284.12051	3.3
284.15564	2.5
285.12967	3.2
285.16394	5.2
286.13501	3.6
287.14270	8.2
289.14819	2.5
291.13712	2.4
295.11636	2.4
295.14755	5.4
296.11938	4.6
297.12711	8.5
298.13547	7.4
299.14264	6.0
300.11481	2.6
301.15884	2.3
303.17361	7.1
309.12686	6.9
311.14258	6.2
312.15192	3.4
313.15924	21.0
315.13919	2.3
315.17426	5.5
321.18286	2.4
323.14380	11.0
324.15021	7.2
325.15833	3.8
325.19351	2.4
327.13876	2.1
327.17319	5.1
328.18433	4.8
329.15244	5.1
329.19006	7.1
331.16934	19.8
338.16666	6.3
341.15256	5.6
341.18921	9.6
343.20551	16.4
345.18491	7.5
347.20117	4.4
353.19003	22.1
355.20728	4.1
356.17776	4.6
359.19952	6.8
361.21558	7.5
365.21262	2.9
371.20065	83.6
373.21686	7.3
374.18576	2.2
389.21158	56.3
391.22595	5.7
409.23465	4.6
431.22290	22.9
449.23257	31.4
491.24109	3.6
509.25583	13.0
591.29382	23.0
609.29706	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	609.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01869	1.7
55.05515	51.2
63.30101	0.8
65.67312	0.9
67.05495	2.9
69.03425	2.2
69.07084	1.6
70.99693	2.2
79.05081	0.9
79.05486	6.2
79.64651	0.9
81.03428	7.4
81.07074	2.5
83.04987	100.0
91.05484	10.0
93.07040	4.6
95.01328	1.4
95.04973	4.7
95.08636	2.0
97.06455	0.9
103.05467	1.6
105.04558	1.0
105.07054	8.3
107.04942	2.7
107.08578	4.8
109.06515	2.1
109.10171	1.6
115.05477	3.1
117.07021	5.4
119.08583	12.3
121.06504	2.1
121.10172	2.2
124.96789	0.9
128.06204	2.4
129.07010	2.9
131.04932	2.0
131.08560	6.1
133.06482	3.2
133.10144	8.0
135.08046	10.1
141.06990	1.8
142.07790	2.2
143.08505	5.0
145.06490	3.3
145.10152	4.5
146.07310	1.1
147.08044	20.0
149.09644	1.5
151.07562	1.3
154.07785	1.6
155.08583	2.7
156.09351	2.0
157.06483	1.5
157.10144	4.9
159.08086	4.9
159.11757	1.9
161.09685	5.6
165.06979	1.8
165.09114	1.0
167.08580	2.4
169.10168	4.1
171.08029	3.1
171.11707	8.0
173.05978	2.2
173.09587	4.5
173.13313	1.9
175.07549	10.2
175.11278	1.2
179.08702	2.3
180.09380	2.4
181.10144	2.5
182.10910	2.3
183.08110	1.1
183.11728	4.8
185.09589	2.6
185.11331	0.9
185.13257	3.3
187.07564	1.0
187.11195	1.8
187.14876	1.1
189.09175	2.4
192.09360	1.3
193.10162	3.0
195.08000	1.3
195.11713	3.1
196.08783	1.5
197.09566	2.6
197.13252	3.5
199.11215	7.8
201.12750	4.9
205.10173	1.7
206.10880	2.6
207.11713	3.1
209.09634	2.1
209.13269	2.8
210.10381	1.4
211.11136	2.2
213.12762	5.7
215.14328	1.5
217.10121	1.0
219.11713	1.3
220.12532	3.2
221.13257	3.3
223.11188	5.6
223.14949	1.2
225.12798	3.3
227.10712	1.6
229.12286	2.4
230.10905	1.5
231.11714	1.5
232.12482	1.1
234.14047	1.3
235.11168	1.9
235.14784	2.9
236.12039	1.1
237.12686	2.3
239.10606	1.4
239.14349	3.0
241.12242	2.6
243.11743	1.6
244.12128	1.2
245.13319	1.8
247.11185	2.0
248.11861	1.5
249.12852	1.6
249.16443	2.0
251.10718	1.0
251.14349	3.3
253.12273	1.0
253.15958	1.8
257.13400	1.4
259.14914	1.5
261.12729	1.3
263.14426	3.1
265.16028	1.5
267.13898	1.3
267.17459	2.0
273.12823	2.1
273.16235	1.4
275.14227	1.2
275.17896	1.5
277.16003	1.3
280.12167	1.1
285.12762	1.7
285.16467	1.7
295.17163	7.0
297.12756	2.0
298.13495	2.9
299.14487	2.2
301.15945	1.8
303.14160	1.3
303.17551	2.9
309.12708	1.7
311.14200	2.3
312.15091	1.5
313.15814	5.0
314.16888	1.2
319.16705	1.0
319.20679	1.1
323.14188	2.2
324.15121	2.1
325.15790	1.4
326.16663	1.2
327.17368	1.6
328.18253	2.7
329.15494	1.8
329.18951	2.3
331.16943	4.1
338.16663	2.1
341.15405	1.6
341.19077	1.6
343.20618	5.7
353.18991	7.8
356.17749	3.1
359.19965	2.2
361.21634	9.1
363.19543	1.2
371.15326	1.3
371.20074	32.7
389.21118	54.5
407.21909	1.7
431.22226	5.9
449.23257	13.3
453.24496	1.7
467.23840	1.3
471.25394	3.2
489.26068	1.3
509.25168	2.3
513.26318	1.2
531.27423	1.3
568.87408	1.2
591.29443	7.0
609.28827	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	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
51.81010	0.2
55.05503	0.3
55.53885	0.2
66.35227	0.2
67.05498	0.9
69.07090	0.2
69.83541	0.9
79.05492	0.5
81.07046	0.5
91.05486	0.8
93.07030	0.7
95.04942	0.2
95.08615	0.6
105.07036	0.5
107.08600	0.5
109.10192	0.2
121.10193	0.2
131.08542	0.3
133.10159	0.3
145.10109	0.4
157.10245	0.2
192.37758	0.2
209.10704	0.3
223.12254	0.3
237.13916	0.3
275.19766	0.3
365.28116	0.3
377.17508	0.6
387.16397	0.3
388.17123	0.3
389.17514	0.7
390.18192	0.3
391.19260	1.1
401.17694	0.5
402.18365	0.7
403.19247	1.4
404.15463	0.4
404.19916	0.7
405.21085	1.7
406.21429	0.7
407.22290	1.2
415.19272	1.0
416.15839	0.3
416.20712	0.4
417.16180	1.7
417.21060	1.0
418.17520	0.8
418.22076	0.4
419.18390	0.6
419.22961	2.5
420.23331	1.0
421.23914	0.3
429.16272	0.3
429.21255	0.4
430.17886	1.1
431.18030	2.6
432.18637	1.1
433.20157	5.6
434.20911	1.1
435.21667	0.7
443.18109	1.0
444.18707	1.1
445.19955	4.1
446.21255	3.3
447.21960	3.9
448.22433	2.3
449.22977	0.8
457.20343	0.4
458.21033	4.4
459.21686	3.4
460.22968	2.5
461.19635	0.9
462.19952	0.7
463.20898	1.7
473.23761	1.6
474.19992	0.2
475.20435	1.3
476.21643	2.5
477.22638	1.9
478.23843	0.4
489.19235	0.4
489.22809	0.4
490.23636	0.7
491.24835	0.4
503.20618	0.5
503.24231	0.6
504.22031	0.2
505.22128	1.3
516.21704	0.4
517.22345	0.8
518.23315	2.7
519.23926	7.7
520.23572	0.3
521.24158	1.8
531.23737	1.2
532.25006	0.5
535.23792	0.3
536.23938	1.1
548.24255	0.3
549.24878	8.0
550.25543	0.5
563.26483	0.7
576.23682	0.3
579.25598	0.3
581.26691	0.4
591.16583	0.5
591.26031	9.0
592.26740	0.3
609.26953	100.0
610.27386	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2712
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03952	0.4
55.05509	1.1
65.03923	0.6
67.05520	2.7
69.07051	1.4
69.40367	0.6
69.40728	3.2
71.50637	0.3
79.05504	3.1
81.07055	3.2
83.08636	0.8
83.20509	0.4
91.05470	2.4
93.07054	2.7
95.04947	0.5
95.08624	2.6
97.06506	0.8
105.07027	2.0
107.05031	0.4
107.08597	1.8
109.10170	1.4
112.01172	0.4
117.07031	1.3
119.08580	2.9
121.10163	1.7
129.07016	0.6
131.08578	1.3
133.10175	1.5
135.11731	0.6
143.08617	1.0
145.10187	1.8
155.08572	0.5
157.10152	0.8
159.11725	1.1
169.10187	0.7
171.11780	0.9
173.13249	0.7
209.13394	0.4
218.30756	0.4
238.14581	0.4
257.19043	0.4
275.20151	1.3
335.26114	0.5
363.04129	0.4
405.21075	0.8
413.17703	0.4
415.19022	0.5
418.17453	0.7
419.22885	0.6
429.20807	3.0
430.21835	0.5
431.18369	1.1
432.19562	1.1
433.24060	1.4
433.29092	0.4
434.21329	0.5
443.22845	1.0
444.23248	1.6
445.24249	1.2
447.17090	0.7
447.22043	1.7
448.22391	0.5
449.23260	1.2
458.25565	0.5
459.21365	3.3
460.22687	2.7
461.19193	1.2
461.24695	2.4
462.20724	1.8
472.22571	1.7
473.23856	0.7
475.20306	0.6
475.25699	0.6
476.22104	3.0
477.22964	2.2
485.23383	1.0
487.25143	2.9
489.22937	1.7
490.23672	0.7
492.25592	0.5
493.26630	0.7
503.24768	2.1
507.23477	0.6
519.23547	1.9
521.21283	1.9
531.23956	19.5
532.24329	0.9
549.24976	13.9
559.23151	0.4
563.26764	0.7
580.23413	0.6
591.26013	3.3
609.27057	100.0
609.44843	6.5
610.27399	1.4
630.02844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
67.05512	0.4
69.19295	3.5
71.33174	0.3
72.97900	0.4
97.29691	0.3
167.76212	0.4
225.13753	0.5
236.73375	0.4
238.14636	0.5
332.73059	0.4
354.47040	0.4
376.17432	0.8
377.17804	1.0
389.18433	1.0
390.18527	1.2
391.19324	1.7
392.20126	1.2
393.20758	0.7
400.16833	0.7
401.17761	1.1
402.18848	0.5
403.19934	0.6
404.20331	0.9
405.16785	0.5
405.21005	3.4
406.21680	1.6
407.22263	3.3
413.17764	0.6
414.18643	0.7
415.19339	2.5
416.20212	0.9
417.20883	0.9
418.22198	0.5
419.18561	1.2
419.23108	0.8
420.23486	0.6
421.24039	4.1
422.24847	1.1
427.19449	1.1
428.20395	0.7
429.20844	3.3
430.21844	1.9
432.19257	0.7
433.20139	1.4
435.21536	0.8
442.21957	0.6
443.22461	1.3
444.23105	1.2
445.20303	0.6
446.21237	0.8
447.17245	2.0
448.18723	0.6
449.23624	0.9
452.21976	0.5
457.24402	2.8
458.24701	0.6
459.21732	2.6
460.22699	1.4
461.19196	5.9
462.20459	2.8
463.21170	2.0
465.22733	0.6
470.20566	0.6
471.17453	0.6
472.22763	1.5
474.20316	0.8
475.21048	8.9
476.21957	6.6
477.22415	4.4
478.23828	1.1
479.24506	0.8
485.23553	9.6
486.20389	3.6
487.20349	0.6
487.25964	0.9
488.22098	0.7
489.23090	4.5
493.22119	0.9
494.26941	0.7
497.23486	0.7
499.21536	2.7
500.22018	1.8
501.22717	0.6
502.23489	0.6
503.24512	6.1
504.24936	1.3
507.24078	0.8
513.22998	1.7
515.24500	9.4
517.22473	0.9
518.23260	0.7
521.26105	2.8
522.25647	0.5
526.26007	0.5
531.23932	16.8
533.25854	0.6
535.23370	1.3
541.22223	1.2
548.24377	0.7
549.24597	2.9
550.25800	5.9
559.23419	6.0
577.24542	1.5
591.26044	28.4
601.92548	0.5
609.27106	100.0
610.27429	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	0.7
69.49238	1.5
77.75880	0.2
79.05482	0.5
81.07059	0.7
91.05476	0.5
91.82132	0.2
93.07059	0.4
95.08603	0.5
103.90614	0.2
105.07048	0.5
107.08605	0.5
117.06999	0.4
119.08571	0.4
121.10192	0.3
131.08574	0.3
135.11703	0.3
139.47208	0.2
144.49107	0.2
145.10172	0.3
181.42259	0.2
209.10785	0.4
211.12338	0.2
223.12396	0.2
224.13127	0.2
225.10513	0.2
225.13919	0.3
236.90224	0.2
237.13895	0.5
239.15460	0.3
245.10657	0.2
251.15387	0.4
266.71661	0.2
276.70975	0.2
290.11572	0.2
361.15036	0.4
368.22372	0.2
375.16663	0.3
376.16904	0.3
377.17596	0.4
378.18793	0.3
388.17865	0.2
389.18399	0.6
390.18774	0.7
391.19260	2.0
392.20020	0.8
393.21054	0.3
400.16965	0.4
401.17664	0.7
402.19452	0.3
403.19406	0.8
404.20554	0.6
405.21085	2.6
406.21671	1.7
407.22409	2.5
413.18234	0.3
414.18808	0.4
415.19333	1.5
417.21268	0.5
418.22101	0.4
419.18472	0.7
419.23273	1.1
420.23187	0.8
421.23975	3.6
422.24631	0.6
427.19077	0.4
428.20053	0.5
429.20874	1.4
430.21890	0.8
431.18765	0.8
432.19299	0.5
433.15997	0.6
433.20221	1.2
433.24838	0.6
434.25421	0.4
435.21844	0.3
442.22189	0.4
443.22836	0.5
444.23129	0.7
445.20590	1.0
446.21658	0.4
447.17368	1.7
448.19302	0.7
448.26819	0.3
449.23465	0.8
452.21851	0.4
456.19464	0.2
457.24612	1.1
458.25082	0.3
459.22101	1.6
460.23187	1.2
461.19244	4.7
462.20316	1.6
463.20746	1.3
468.19641	0.3
470.21332	0.4
471.17810	0.5
472.22839	0.9
473.19821	0.7
474.19958	1.0
475.21091	6.5
476.21878	5.8
476.27728	0.2
477.22571	4.2
478.23679	0.7
479.24402	0.7
484.19406	0.3
485.23676	5.6
486.20349	2.4
487.20868	0.7
487.25885	0.4
488.22354	0.9
489.22968	4.0
493.22479	0.8
494.26746	0.7
497.23676	0.6
499.21344	3.7
500.22159	1.1
501.22244	0.3
502.23831	0.3
503.24576	6.3
504.21808	0.7
504.25211	0.7
505.22260	0.8
507.23892	0.6
513.22656	1.1
515.24438	5.5
517.22412	1.9
518.23004	0.5
519.23590	0.3
521.26300	2.8
531.23956	8.0
532.24316	0.3
535.23395	0.9
536.24103	0.3
541.22327	0.7
548.24286	0.4
549.25110	1.9
550.25763	4.6
559.23480	4.6
563.26678	1.1
577.24530	1.6
591.26019	10.9
609.27075	100.0
610.27386	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.7
55.01864	8.5
55.05502	15.0
67.05499	9.0
67.08820	4.0
69.03404	11.0
69.07084	8.3
79.05484	14.3
81.03416	8.9
81.07039	13.7
83.04974	20.1
91.05480	30.3
93.07059	23.3
95.04968	14.6
95.08593	12.2
97.06523	6.0
98.20798	10.5
103.05441	12.9
105.03400	68.9
105.07021	45.2
107.04975	9.1
107.08578	17.1
109.06519	8.7
109.10155	7.5
115.05473	9.8
117.07009	32.2
119.04951	8.5
119.08592	54.5
121.06474	8.4
121.10123	7.8
128.06238	10.4
129.06995	18.8
130.07730	5.4
131.04930	10.8
131.08592	30.6
133.06488	26.8
133.10129	28.0
135.08064	10.9
135.11752	6.5
142.07747	15.0
143.08589	28.8
145.06470	28.9
145.10144	24.1
147.08070	25.1
149.05966	9.5
149.09621	14.2
153.06998	5.3
155.08575	20.9
156.09398	26.5
157.06474	6.7
157.10149	61.5
159.04384	5.6
159.08057	23.7
159.11714	42.9
161.06009	23.8
161.09587	14.0
163.07538	15.6
163.11147	5.7
165.07036	5.5
167.08577	8.9
168.09349	6.6
169.10150	32.3
170.10863	21.0
171.08124	27.4
171.11693	78.1
172.08830	7.1
172.12303	4.4
173.06001	6.2
173.09659	23.4
173.13269	16.8
175.07552	18.9
175.11139	6.2
177.05505	6.6
177.09175	6.8
179.07053	7.0
179.08510	5.8
180.09297	6.1
181.10097	12.2
183.08061	7.4
183.11693	64.3
184.08835	9.6
185.09645	19.3
185.13264	67.2
187.07449	5.4
187.11200	19.2
189.05475	6.6
189.09103	7.1
191.07077	6.8
191.10678	6.2
192.09276	5.1
193.08574	6.9
193.10162	15.0
194.10793	6.0
195.11711	19.8
197.09625	12.3
197.13254	11.4
198.10391	10.5
199.07530	4.8
199.11269	25.5
200.11923	4.1
201.09093	5.6
201.12740	19.8
203.08620	5.1
203.10489	4.7
203.14265	7.6
206.10867	5.9
207.11798	19.6
208.12364	6.2
209.09583	5.8
209.13226	9.4
211.07695	5.4
211.11179	20.7
213.09145	7.3
213.12750	100.0
215.10709	6.0
215.14192	5.1
216.09436	5.1
217.08536	5.3
217.12224	7.4
218.10905	7.2
219.11728	6.8
221.13255	12.6
223.11197	7.0
225.12656	6.9
229.10225	6.8
229.12245	17.7
231.09978	9.8
231.11894	7.1
231.13733	35.6
232.12366	4.9
233.13387	8.5
233.15411	18.7
237.12738	8.6
241.12230	11.9
243.11523	12.2
243.13802	14.1
244.12387	9.9
245.13361	9.2
245.15421	18.2
249.12782	8.5
251.14235	5.7
257.13251	11.0
258.14038	7.1
259.14810	13.2
261.12552	4.7
263.16382	11.3
267.11685	4.6
269.13177	7.8
270.14108	7.4
271.14743	7.5
273.14728	57.0
275.14236	6.7
277.15891	5.8
283.11218	4.9
283.14804	9.3
285.12900	6.9
285.16226	9.6
287.14157	6.6
289.14511	6.3
291.13196	5.0
291.16098	24.3
297.12653	7.8
298.13550	5.6
299.14078	4.3
300.15018	5.8
301.15814	9.5
303.17258	7.0
305.15149	5.0
313.15799	7.5
315.13742	6.8
315.17343	7.8
316.14722	5.2
317.15546	4.7
317.18979	5.2
319.17004	8.3
327.17404	5.2
329.15253	13.3
329.18790	6.4
331.16937	18.1
333.18378	10.3
335.16406	7.3
341.15256	6.1
343.16962	11.1
345.18454	16.9
347.16534	20.1
349.17746	11.4
355.16666	7.4
359.16309	14.2
361.17868	15.6
363.19763	9.6
365.17465	5.3
371.16495	6.2
373.18036	29.9
377.17377	10.5
379.19055	4.7
385.17813	5.0
387.19427	6.2
389.17136	7.8
391.18829	24.6
395.18463	15.8
401.17462	16.1
403.18915	12.6
405.20499	14.4
409.20120	6.3
415.18768	9.0
419.18454	23.5
421.19955	20.3
423.21512	14.1
433.20209	26.6
437.19376	15.3
447.27463	6.7
451.21021	33.5
455.20752	7.1
469.22144	27.1
559.23102	16.8
573.24677	5.0
577.24103	7.2
591.25677	12.2
609.28394	12.1
629.45422	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	609.2697
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
52.91695	3.8
53.03939	7.0
53.25386	4.1
55.01873	4.6
55.05518	66.7
61.84410	3.7
67.05523	9.5
69.03416	14.9
69.07082	7.8
70.83252	12.4
79.05489	16.6
80.30084	3.8
81.07050	13.1
83.04988	100.0
89.25652	3.8
91.05483	36.5
93.07051	25.3
95.04961	16.3
95.08595	12.7
97.06528	4.8
98.71268	4.0
103.05443	11.4
105.03400	48.6
105.07040	62.9
107.04993	9.2
107.08576	15.4
109.06516	7.8
109.10161	8.7
114.71395	3.8
115.05476	13.6
116.06216	6.3
117.07022	35.6
119.04978	4.6
119.08591	52.7
121.06480	13.1
121.10146	11.1
123.08104	4.2
125.05975	6.5
128.06232	13.3
129.07002	24.5
131.04906	16.8
131.08574	32.7
133.06502	28.6
133.10144	28.6
135.08038	12.9
141.06944	6.8
142.07780	19.0
143.08562	33.2
145.06488	25.5
145.10133	31.1
147.08038	37.1
147.11694	5.9
149.06021	6.0
149.09613	13.3
153.07013	4.8
155.08549	16.9
156.09344	28.9
157.06439	5.6
157.10149	69.7
159.08070	31.7
159.11717	35.6
161.05998	29.3
161.09599	18.2
163.07622	9.9
163.11226	9.5
165.06960	9.8
167.08577	11.1
168.09378	5.2
169.06473	5.1
169.10107	32.3
170.10838	17.7
171.08086	20.3
171.11697	78.7
173.06001	18.2
173.09647	35.7
173.13263	11.6
175.07553	14.0
175.11131	6.6
177.09129	12.8
178.07870	5.9
179.08521	9.2
179.10689	4.8
181.10130	13.0
183.08086	10.3
183.11717	79.4
185.09657	30.7
185.13257	54.1
187.11232	23.3
189.05595	7.3
189.09096	10.0
189.12825	7.4
191.06992	5.6
191.10699	5.4
193.10141	12.4
194.10970	5.2
195.11720	21.9
197.09608	17.1
197.13257	17.1
198.10359	6.9
199.11197	32.2
201.09171	8.3
201.12779	17.7
203.10661	10.0
203.14359	5.9
205.10246	5.1
205.12201	6.1
206.10822	8.9
207.11691	16.5
209.09651	7.2
209.13174	7.3
211.11172	17.3
213.09122	10.4
213.12714	61.0
214.13142	6.5
215.10628	10.0
216.09422	7.7
217.10298	7.4
217.12260	17.5
219.11697	12.7
220.08972	4.4
220.12338	4.3
221.13374	19.9
223.11185	12.4
223.14952	4.4
225.09056	4.6
225.12698	10.2
227.10646	6.0
229.10274	5.8
229.12233	15.0
230.10953	5.9
231.09933	7.9
231.11897	8.7
231.13686	22.8
232.12390	5.9
233.09651	6.0
233.13148	13.8
233.15300	7.5
235.11163	5.4
235.14874	8.2
239.10625	6.2
241.12254	11.9
242.10825	5.4
243.11739	9.3
244.12421	7.8
245.13167	14.9
245.15477	13.1
246.10446	4.9
247.11148	8.3
247.13274	4.8
247.14970	6.1
253.12239	5.0
255.11699	5.2
255.14024	5.3
256.12366	5.8
257.13220	11.6
258.14020	8.9
259.10980	8.4
259.13226	9.1
260.11871	5.3
260.15533	4.9
261.12567	9.3
263.10727	8.2
263.13956	6.4
265.12311	4.7
265.15988	5.4
269.13098	12.5
270.14066	16.6
271.14752	11.6
272.15506	4.3
273.14807	22.7
275.10776	4.7
275.14227	8.1
275.17798	4.6
277.12088	7.0
279.13760	4.3
283.14743	7.7
284.12082	6.8
285.12979	8.7
285.16339	12.5
287.14194	11.2
287.17783	6.5
291.16016	12.7
297.12772	9.3
298.13589	9.2
299.18158	5.5
301.12631	4.9
301.15936	14.8
302.16541	4.3
303.17395	12.6
305.15137	8.6
313.15823	9.9
314.16391	6.2
315.13873	5.5
315.17416	13.6
317.18701	7.3
319.16971	7.6
321.18445	6.1
327.17380	7.5
329.15326	10.8
329.18890	5.3
331.13412	5.3
331.16937	20.6
341.15350	7.1
343.16879	14.6
345.18665	22.0
347.16275	13.0
349.17923	17.2
355.16962	9.1
359.16373	9.5
361.17853	14.6
363.19446	14.5
365.17633	4.6
373.18005	36.0
375.19702	5.2
377.17432	10.2
379.18686	5.7
385.18085	6.9
389.17371	10.3
391.19012	49.4
395.18304	8.0
401.17450	8.9
403.18961	13.5
405.20441	14.3
407.18311	7.4
409.19968	46.6
419.18484	20.7
421.19879	9.4
422.20410	5.2
423.21518	20.9
427.20923	5.2
433.20111	23.9
437.19357	7.9
451.21094	31.8
469.22174	39.6
487.23230	15.4
491.23849	9.0
509.25430	32.7
559.23236	6.2
591.27686	13.5
609.28833	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2696
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03938	12.8
55.01869	8.4
55.05510	15.5
59.23361	4.5
67.05496	22.3
69.03434	8.1
69.07056	7.0
77.03886	6.6
79.05507	28.7
80.01225	4.5
81.03409	11.0
81.07064	26.5
83.04971	11.3
83.08622	4.9
91.05487	39.0
93.07060	33.6
95.04961	20.9
95.08611	18.7
97.06522	7.8
103.05463	21.2
105.03395	74.9
105.07040	66.5
107.04925	5.2
107.08588	34.6
109.06503	14.5
115.05471	8.5
117.07024	19.4
118.69787	5.0
119.08580	59.2
121.06488	16.4
121.10150	19.7
123.08019	10.2
128.06229	8.3
129.07005	17.1
130.95949	6.6
131.04947	42.0
131.08575	45.2
133.06477	19.5
133.10135	42.7
135.08072	32.3
141.06960	11.6
142.07785	12.7
143.08548	34.8
145.06520	10.4
145.10124	31.9
147.08043	30.2
149.09625	42.8
155.08542	20.3
156.09326	25.1
157.10146	72.3
158.07326	7.3
159.08080	23.1
159.11693	44.2
161.06000	9.1
161.09663	20.1
161.13307	6.7
163.07516	17.4
163.11160	18.2
166.07780	5.2
167.08572	9.4
169.10115	44.0
170.10919	19.6
171.08022	9.7
171.11681	99.0
173.09648	35.5
173.13280	18.7
173.16925	4.9
175.07558	9.1
175.11253	11.7
177.09146	5.1
179.07094	7.8
179.08592	7.6
180.09302	6.1
181.10149	14.9
183.08067	7.1
183.11684	81.0
184.12355	4.7
185.09610	19.7
185.13268	62.0
187.07547	7.9
187.11275	26.2
189.09119	7.2
191.10693	7.4
193.08530	5.5
193.10114	20.1
194.10866	8.3
195.11702	30.6
197.09627	20.8
197.13278	24.0
198.10275	6.8
199.11188	31.0
200.11934	8.7
201.09113	9.0
201.12732	17.3
203.10576	5.6
205.10152	11.6
205.12125	9.9
206.10779	10.6
207.11690	30.6
208.12376	13.6
209.09590	7.4
209.13248	19.1
211.11148	19.0
211.14772	4.5
213.09167	7.3
213.12732	46.9
214.13539	6.0
215.10745	11.0
215.14372	9.3
217.10197	9.2
217.12175	9.1
218.10907	7.0
219.11687	17.5
220.12404	12.7
221.13304	26.1
222.14140	5.2
223.11188	15.0
223.14812	12.9
225.12611	10.2
229.10260	8.9
229.12279	22.0
231.11743	12.8
231.13811	14.1
232.12474	12.8
233.13208	15.1
233.15340	6.6
234.13943	12.4
235.11162	7.3
235.14752	20.1
236.15385	7.2
237.12720	9.9
239.10918	6.9
241.12253	19.0
242.13113	6.7
243.11606	12.6
243.13846	13.5
245.13312	10.3
245.15407	22.7
246.14153	7.6
247.14789	17.7
248.15567	6.8
249.12772	15.0
249.16510	29.8
251.14429	5.1
255.13875	11.5
257.13321	6.3
258.14120	10.5
259.15067	10.2
260.15494	9.5
261.12650	11.9
261.16547	12.2
263.14145	10.5
263.18173	7.3
265.15967	7.5
267.13889	7.7
267.17136	6.4
270.13992	9.5
271.14868	6.9
272.15408	8.6
273.14600	9.6
273.16791	5.8
274.13449	6.8
274.16934	5.2
275.14383	10.1
277.16031	11.0
285.13022	6.4
285.16367	10.6
287.14368	6.3
288.15027	5.6
289.15872	12.1
291.15860	6.9
293.18945	6.3
295.16818	8.0
301.15884	13.3
303.14063	9.8
303.17413	22.4
303.20874	5.7
305.18958	13.0
309.18478	11.5
313.15759	7.2
315.17432	12.7
317.15570	6.6
317.19119	13.4
319.16888	12.5
321.18594	11.1
329.19049	10.4
331.16922	10.6
333.14795	7.5
333.18503	12.4
337.17947	12.7
345.18536	10.3
347.16342	10.8
347.20016	7.6
349.18079	30.2
351.19586	7.3
353.14145	6.9
357.18430	8.6
359.16486	12.8
361.18024	11.3
363.19537	17.4
365.17346	14.5
367.19156	7.7
369.20645	6.2
373.17896	14.3
375.19281	7.8
377.17410	18.7
377.21570	7.2
379.18683	7.3
379.22797	8.6
381.20599	9.6
389.21341	10.5
391.19073	32.0
395.18530	16.7
407.17889	10.5
407.22360	14.7
409.19946	26.6
411.21960	7.2
419.18448	23.1
421.20169	12.5
423.21979	26.0
433.20056	18.2
437.19928	24.0
439.20877	9.0
441.22562	13.7
451.21133	34.7
455.20731	10.9
469.22192	79.9
487.23343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	12.5
55.01882	16.4
55.05512	5.5
67.05523	4.2
69.03430	5.1
69.17971	27.5
77.01962	2.6
79.05504	11.6
81.03419	14.9
81.07066	3.8
83.04985	7.6
91.05487	20.8
93.07060	7.6
95.04977	13.4
95.08613	3.0
96.48750	2.3
103.02151	3.5
105.03403	100.0
105.04520	6.4
105.07059	12.0
107.04980	12.8
107.08599	4.5
107.53747	3.0
109.06496	3.4
115.05452	4.8
117.07041	12.8
119.08602	30.7
120.27426	2.7
121.06607	4.4
121.10165	3.0
122.12264	3.0
129.07019	22.3
131.04926	3.2
131.08534	15.7
133.06491	4.8
133.10144	7.0
136.06218	4.9
142.07794	3.7
143.08585	10.8
145.06506	14.6
145.10162	10.0
147.08063	94.8
148.08418	3.2
149.09625	14.6
151.33708	2.7
155.08521	3.3
156.09367	7.8
157.10146	57.0
158.07323	3.5
159.08070	27.1
159.11703	29.2
161.09644	13.9
163.07553	23.9
168.09334	4.0
169.10156	21.2
171.08090	3.0
171.11703	58.2
173.05992	4.9
173.09622	14.4
173.13197	7.0
175.07578	32.3
175.11166	5.3
177.09149	3.4
179.08647	3.9
181.10083	3.1
183.11740	24.8
185.09627	10.5
187.07555	3.0
187.11205	8.0
197.09641	11.0
199.11179	19.6
201.09215	4.1
201.12830	5.1
203.10593	3.4
207.11707	4.5
209.13394	3.1
213.09149	5.2
215.10733	6.8
217.10410	3.1
217.12299	12.1
221.13290	4.3
223.11220	5.5
225.12654	3.9
227.10732	10.8
229.12303	10.8
231.13786	26.4
233.13312	3.5
233.15437	6.9
237.12775	4.1
239.13863	2.9
243.13861	5.7
245.11652	3.2
249.12648	3.5
249.14987	8.2
259.13284	5.1
260.98923	2.8
261.12735	3.9
269.13278	3.9
273.12875	3.5
277.14340	5.6
287.14539	3.1
297.12692	4.0
299.14294	4.1
301.16037	3.8
303.14001	4.3
303.17584	8.6
313.15845	8.7
315.17340	9.6
327.17505	6.4
331.16959	11.6
345.18585	11.0
349.17960	3.7
373.18002	15.8
377.21384	6.4
387.19724	5.8
389.21036	5.8
391.19000	5.5
405.20697	44.4
407.22220	7.4
419.18683	5.0
423.21729	21.4
433.20071	21.6
437.19614	3.8
443.28342	3.4
451.21198	23.6
469.22363	15.2
542.27271	2.9
559.23401	17.5
573.24872	49.7
591.26147	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.01873	6.2
55.05517	64.9
65.03954	2.3
67.05510	6.7
69.03425	5.4
69.07079	4.1
69.41135	11.7
79.05496	10.2
81.03421	11.1
81.07056	10.6
83.04987	100.0
83.08614	1.7
85.06464	1.6
91.05481	20.1
93.07063	11.3
95.01352	2.1
95.04949	9.6
95.08614	5.2
97.06551	2.3
98.21488	2.2
103.05473	3.4
103.36161	1.5
105.03399	3.8
105.07035	14.5
107.04949	4.0
107.08613	10.5
109.06516	4.9
109.10152	4.8
115.05447	5.3
115.73156	1.4
116.06335	1.6
117.07038	12.1
119.04922	1.3
119.08585	22.2
121.06511	4.4
121.10157	5.1
123.08093	2.7
128.06229	7.2
129.07027	9.9
130.07790	1.9
131.04944	6.0
131.08572	12.1
133.06485	5.4
133.10129	17.7
133.41730	1.4
135.08086	7.1
137.09593	2.0
141.06993	3.9
142.07753	8.2
143.08585	18.6
144.05673	1.9
145.06503	9.6
145.10133	13.0
147.08066	29.9
147.11707	1.7
149.09622	4.3
153.07053	1.9
155.08546	7.0
156.09406	8.8
157.06480	2.0
157.10138	13.6
158.07350	2.0
159.08063	17.8
159.11696	6.1
161.09622	19.2
161.13316	2.2
163.07568	2.4
163.11182	1.7
165.06995	4.4
166.07796	3.3
167.08588	4.6
168.09384	3.1
169.06300	1.8
169.10187	7.5
170.10966	2.2
171.08014	6.8
171.11705	16.2
173.06020	8.8
173.09633	12.6
173.13275	4.9
175.07626	3.5
175.11252	2.5
179.08571	4.0
180.09334	5.4
181.06479	2.9
181.10103	6.1
182.07321	1.6
182.10983	2.5
183.08057	3.1
183.11732	9.8
184.08896	2.7
185.09644	8.4
185.13278	7.9
187.07535	8.3
187.11208	5.5
187.14839	3.9
189.09152	2.2
189.12796	3.9
192.09200	1.5
193.10083	5.3
195.08090	1.9
195.11729	6.3
196.08778	3.2
197.09685	6.6
197.11668	1.4
197.13264	10.5
198.10434	2.0
199.07664	3.0
199.11205	18.9
201.09174	4.8
201.12744	5.6
203.14296	1.9
205.10144	1.5
207.11761	3.6
208.08859	1.6
209.09616	5.4
209.13274	4.0
210.10449	2.6
211.11241	10.5
213.09108	3.5
213.12744	10.4
215.10721	2.5
215.14288	5.2
216.09300	1.9
217.10126	3.6
217.12270	4.2
218.07301	1.5
218.10889	2.3
219.08255	1.5
219.11606	3.4
220.12398	2.0
221.09660	2.2
221.13284	2.5
223.11163	11.6
223.14757	3.1
225.09229	2.8
225.12685	3.5
227.10710	3.8
229.10159	3.2
229.12241	8.0
230.10905	4.1
231.11668	4.2
231.13936	4.8
232.12297	2.1
233.09727	3.6
233.13292	5.0
234.10312	2.2
234.14098	2.0
235.11266	3.2
235.14864	1.9
237.12740	5.0
239.10710	6.6
241.10129	1.9
241.12317	2.4
242.10898	1.5
243.11676	5.3
243.13933	1.9
244.12453	2.1
245.13316	5.5
247.11078	4.1
247.15091	1.8
248.12109	2.4
249.12660	3.0
249.16547	2.1
251.10692	2.0
251.14336	2.7
254.10719	2.2
255.11633	2.7
256.12433	2.2
257.13220	4.0
258.10345	2.1
259.11124	5.5
259.15060	2.8
260.11768	1.7
261.12665	5.0
262.13422	2.4
263.10605	2.2
263.14313	3.9
268.12540	3.0
269.13220	5.4
270.14008	2.2
271.11188	4.7
271.14883	3.5
272.11813	3.1
273.12695	9.4
273.15717	1.8
274.13467	2.4
275.14285	3.5
275.18143	1.6
276.11404	1.9
276.15240	1.6
277.12503	1.5
277.15796	2.4
281.09732	1.5
281.13010	2.1
282.10367	3.0
283.11185	6.3
283.14911	5.2
284.12070	3.0
284.15173	1.9
285.12772	5.5
285.16190	1.7
286.13345	2.9
287.14258	4.4
289.12225	3.3
295.14526	2.5
296.11877	3.0
297.12778	9.5
298.13544	5.6
299.10754	3.6
299.14322	4.6
300.15082	1.9
301.12564	2.6
301.15927	7.9
303.13867	4.5
303.17435	2.6
309.12814	3.6
310.17224	1.7
311.14282	10.2
312.11560	2.8
312.15051	5.1
313.12170	4.2
313.15915	10.2
314.12927	3.3
315.13922	2.7
315.17273	2.5
317.15463	1.9
317.18915	3.4
323.14499	4.6
324.15051	3.0
325.12317	2.7
325.15829	2.4
326.13010	1.7
326.16620	3.7
327.13739	5.5
327.17422	5.9
328.14508	2.9
329.15417	21.2
329.19022	4.0
330.15884	1.9
331.16882	6.3
338.16589	2.4
339.13943	5.4
340.14377	4.1
340.18094	1.9
341.15198	3.8
341.19049	10.7
343.16864	4.2
343.20651	6.2
344.17703	2.4
345.18613	6.6
347.16388	1.6
351.17386	1.7
353.19177	4.5
354.16193	6.4
356.17773	3.6
357.18500	8.7
359.20035	11.9
361.21429	6.6
363.19144	1.8
369.18527	38.7
371.15891	2.2
371.20041	19.1
372.16837	1.9
377.21106	2.0
387.19580	36.6
389.21088	30.0
405.20551	5.6
406.21155	2.7
407.22177	57.1
429.20905	2.3
447.21591	15.6
465.23001	8.0
469.23978	4.0
489.26288	4.4
507.27167	3.0
525.24725	15.7
547.27179	11.7
565.27972	2.9
589.31293	6.5
607.28961	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
55.01877	16.0
55.05264	5.4
55.05511	66.7
57.20530	2.2
65.03917	3.8
65.86404	2.5
66.89858	2.9
67.05514	18.3
69.03427	10.1
69.07057	10.8
71.05004	3.3
71.30735	2.7
71.55679	3.3
71.56106	3.2
78.36294	2.8
79.05486	17.9
81.03426	15.8
81.07045	16.0
83.04985	100.0
83.08610	5.3
84.82912	2.6
85.06512	2.7
90.68999	2.6
91.05486	34.7
93.07044	18.5
95.04974	15.8
95.08589	9.1
97.06532	5.7
103.05438	3.8
105.03379	7.8
105.07045	21.8
107.04956	6.5
107.08607	16.0
109.06503	6.3
109.10166	7.7
115.05402	5.4
116.06245	4.8
117.07016	16.9
119.08588	37.0
121.06505	9.6
121.10163	7.9
123.08051	2.9
128.06247	8.0
129.07004	22.1
130.07787	3.9
131.04935	5.6
131.08560	20.3
133.06474	7.2
133.10141	24.6
135.08075	15.6
141.06967	10.0
142.07834	6.2
143.08592	19.6
144.05725	3.3
144.09332	4.3
145.06516	12.7
145.10129	20.2
147.08044	52.1
147.11650	2.7
149.09596	4.9
153.06995	4.4
155.08572	8.9
156.09348	17.5
157.06464	2.8
157.10132	25.1
159.08072	26.9
159.11670	13.8
161.09636	42.1
163.07565	3.6
165.06953	5.9
165.09213	3.7
166.07750	4.4
167.08583	6.4
168.09367	4.5
169.06432	4.5
169.10059	13.0
170.10973	4.4
171.08064	10.8
171.11690	24.8
172.08762	5.0
173.05978	4.2
173.09663	17.3
173.13283	7.4
175.07530	4.2
175.11224	6.8
179.08560	5.7
180.09354	3.6
181.10101	7.6
182.10855	6.9
183.08044	4.6
183.11693	19.9
185.09624	17.3
185.13297	8.2
187.07532	9.1
187.11154	8.7
187.14807	6.3
189.09178	4.1
189.12825	6.1
193.10129	5.6
195.08116	3.1
195.11716	10.2
196.08954	3.7
197.09596	9.9
197.13234	14.9
198.10445	3.9
199.11189	12.3
201.12744	12.0
203.08629	3.6
205.10069	3.0
206.10898	4.2
207.11734	10.4
208.08801	3.3
209.09639	8.2
209.13264	6.6
210.10269	3.3
211.11275	12.3
213.09247	2.7
213.12784	16.8
215.14302	12.9
216.09454	3.9
217.12221	6.2
218.10939	3.1
219.11664	6.5
220.85237	2.7
221.09656	4.5
221.13211	5.8
222.10587	3.0
222.13902	3.4
223.11205	20.2
223.14818	2.9
225.12723	6.8
229.10167	4.8
229.12254	20.5
229.14297	4.4
230.10875	5.8
231.11615	7.5
231.13876	8.1
233.15367	3.4
234.13910	3.8
235.11003	3.2
235.14757	3.7
237.12720	7.1
241.12268	3.4
243.11678	6.8
243.13852	6.6
244.12447	4.0
245.09566	3.9
245.13234	9.6
247.11058	3.2
255.11696	6.4
257.09485	2.8
257.13162	3.7
259.14835	6.5
261.12711	4.3
262.13617	3.4
263.14423	5.0
268.12350	3.4
269.09937	3.0
269.13150	7.0
270.10608	2.9
271.11438	3.2
271.14673	3.9
272.11752	4.0
273.12698	18.4
275.14392	3.6
283.11121	8.7
283.14816	6.1
284.12195	3.4
285.12598	5.0
287.14291	10.3
288.14780	3.7
289.15918	4.3
295.14517	3.9
296.12204	5.6
297.12744	8.8
298.13568	6.4
299.14297	8.4
299.17758	5.7
301.12286	3.4
301.15833	6.1
303.17303	6.6
309.12717	4.3
311.14285	7.9
312.15259	6.5
313.15866	23.8
314.16602	4.0
315.17496	3.8
317.18982	4.0
323.14291	8.3
324.15100	3.1
325.15866	4.7
327.17358	10.9
328.18054	4.9
329.15424	6.6
329.18994	9.0
331.17093	13.7
338.16605	8.5
341.19025	10.1
343.20486	13.6
345.18497	10.6
347.16376	5.5
347.20114	6.5
353.19080	18.7
359.20013	9.5
361.21521	11.0
371.20059	43.1
377.21030	3.0
389.21091	68.8
407.16846	4.7
407.22211	97.1
421.25928	4.3
489.26315	10.8
507.27368	10.9
589.31067	10.4
607.28564	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01865	2.0
55.05500	5.5
57.03444	1.8
65.03933	1.1
66.05250	1.3
66.56441	1.1
67.05505	7.4
69.03426	3.5
69.07059	4.8
70.06612	1.1
71.55685	1.7
79.05484	4.7
81.03410	3.6
81.07077	10.9
83.04984	7.1
84.08117	1.1
85.02892	3.8
88.91206	1.1
91.05481	7.9
93.07059	9.1
95.04971	6.8
95.08605	10.9
95.88171	1.2
97.02942	1.6
97.06522	2.3
103.05474	40.1
105.03387	4.0
105.07037	11.5
107.04992	1.6
107.08607	9.7
109.06526	3.7
109.10168	6.2
111.04452	1.3
115.05475	1.4
117.07021	4.8
119.04919	1.4
119.08591	11.8
121.06512	2.9
121.10120	5.5
123.08085	1.6
123.11739	2.3
125.09617	1.6
127.03887	1.5
128.06233	1.4
129.07010	3.6
131.04933	100.0
131.08595	7.1
133.06479	3.4
133.10123	8.6
135.08029	3.9
135.11739	1.8
137.05984	1.8
141.07028	1.4
142.07742	2.2
143.08598	7.3
145.06493	13.6
145.10083	7.4
145.37114	1.2
147.08040	4.8
147.11629	2.4
149.09605	2.3
149.13205	2.8
155.08539	3.4
156.09396	2.7
157.10126	8.8
159.08110	5.6
159.11729	4.3
161.05989	2.8
161.09599	6.2
163.07555	1.6
163.11143	2.6
167.08513	2.3
168.09277	1.4
169.10095	6.8
171.08041	2.2
171.11662	8.6
173.09633	5.0
173.13277	1.5
175.07593	2.1
175.11229	2.3
177.16356	1.9
179.08507	1.7
181.08690	1.2
181.10153	4.4
183.08049	3.0
183.11697	7.7
185.09613	3.4
185.13243	3.9
187.07596	2.3
187.11205	4.8
191.10550	1.5
192.09311	2.2
193.10101	3.7
194.10960	1.5
195.08134	1.7
195.11694	5.3
197.09607	4.2
197.13318	3.1
199.07600	1.9
199.11235	6.3
201.12810	3.4
203.10623	1.5
203.17995	1.6
205.10152	1.9
206.10880	1.7
207.11697	4.8
208.12450	1.5
209.09509	2.8
209.13213	3.2
211.11177	2.9
211.14810	1.4
213.06023	1.6
213.09200	1.9
213.12758	5.1
214.18016	1.7
215.10757	1.4
217.12172	2.1
219.11761	2.7
219.13794	1.6
220.12502	1.8
221.09653	2.0
221.13205	4.5
223.11203	4.4
223.14922	2.1
225.09242	2.8
225.12788	2.9
227.10638	2.3
230.11006	1.3
231.11827	2.3
231.13881	1.5
233.09602	1.5
233.13226	2.7
234.13980	1.4
235.11044	1.9
235.14821	3.0
237.12733	3.2
237.16428	1.5
239.14297	1.3
241.10136	1.4
243.11761	2.0
243.13957	2.0
244.12437	1.9
245.13359	2.6
247.11195	3.0
247.14754	2.8
248.12018	2.0
249.12737	4.1
249.16353	3.0
250.13643	1.2
251.10805	1.8
251.14421	2.2
258.14163	1.2
259.11011	2.0
259.14908	1.5
261.12698	3.1
261.16318	1.7
262.13605	1.4
263.14380	2.3
265.12167	2.2
265.16022	1.6
267.13821	1.7
275.14523	1.3
275.17868	2.5
277.15833	3.2
279.13748	1.6
281.15601	2.0
283.14685	1.5
287.14267	1.6
289.15851	2.8
291.17490	3.3
293.18805	1.7
297.15137	1.7
301.15805	2.3
303.17352	2.7
305.24802	4.1
313.15933	1.5
315.17499	2.1
319.16867	1.7
321.18469	2.1
323.20035	2.9
323.25900	3.0
329.15042	1.9
333.14819	2.5
339.19568	2.8
345.18497	1.8
347.16232	2.1
349.17859	1.4
357.20612	4.9
359.19876	4.3
361.17691	2.8
369.18448	3.2
377.21173	2.7
381.16827	1.8
387.19427	5.3
389.21030	4.0
393.20297	2.1
395.22220	2.7
397.20050	1.5
399.17999	10.2
405.20673	10.3
407.22324	1.7
423.21716	13.9
441.22745	23.2
459.23770	5.4
505.25974	2.0
571.26666	2.3
589.27570	4.7
607.29309	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	607.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44818	0.2
60.49914	0.2
63.05375	0.2
96.49931	0.4
98.21539	0.4
154.60263	0.3
192.52231	0.3
331.12555	0.3
349.41867	0.3
387.16635	0.4
388.16949	0.3
389.17667	0.5
401.17856	0.3
402.18481	0.6
403.19098	2.1
404.19907	0.7
405.20901	0.8
415.19498	0.4
416.20309	0.7
417.16043	0.5
417.21295	2.3
418.21683	1.4
419.22360	1.7
430.17630	0.7
431.18124	3.8
432.19031	0.7
432.23987	0.5
433.24069	5.6
434.24899	0.6
445.19879	5.8
446.20810	2.6
447.21832	2.3
449.23743	0.4
459.21341	2.3
460.22452	7.2
460.28229	0.5
461.23386	8.8
473.23462	2.2
474.24246	0.8
475.21341	0.3
477.23001	0.3
487.24918	1.2
489.22958	0.4
491.24533	0.3
492.24966	0.4
505.22159	0.9
505.27524	0.3
506.26697	0.3
515.24542	0.5
518.23822	0.3
519.27112	1.0
547.27051	33.2
548.27795	0.4
562.84760	0.3
575.26563	0.7
578.25885	0.4
579.29541	0.8
607.29144	100.0
608.29382	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2912
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
69.46269	1.2
73.29259	0.2
93.49437	0.2
127.89677	0.2
128.34386	0.2
135.29597	0.2
370.60983	0.2
387.16089	0.2
388.16974	0.3
389.17688	0.5
401.17877	0.3
402.18643	0.5
403.19223	1.8
404.20218	0.5
405.20947	1.0
415.19635	0.3
416.20087	0.6
417.16309	0.3
417.21378	2.2
418.21643	0.8
419.22241	2.0
429.21484	0.3
430.17535	0.4
431.18094	4.1
431.23639	0.4
432.19525	0.7
433.24075	4.2
434.24734	0.5
445.19717	4.7
446.20746	2.6
447.21793	2.6
447.26923	0.3
449.48712	0.2
458.21167	0.2
459.21524	2.7
460.22556	7.0
461.23401	7.3
473.23636	1.8
474.24463	0.5
477.23044	0.4
487.25049	0.9
488.25406	0.3
489.23148	0.3
491.20148	0.3
492.24991	0.5
505.21936	1.6
515.24725	0.3
518.23444	0.2
519.24384	0.9
519.27258	0.9
532.24774	0.4
533.25500	0.2
546.22644	0.2
547.27081	21.5
548.27814	0.5
575.26392	0.6
578.25629	0.5
579.29517	0.7
592.26648	0.3
607.29156	100.0
608.29651	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	12.3
55.01864	13.9
55.05504	14.9
57.49780	3.7
67.05509	20.2
68.06460	3.9
69.07073	7.9
77.03918	4.6
79.05484	23.9
81.03416	17.1
81.07043	15.5
83.04969	17.7
83.66371	4.1
91.05478	32.4
93.07029	26.0
95.04981	28.5
95.08607	11.8
97.06582	6.1
98.21496	11.1
105.03400	100.0
105.04454	8.7
105.07028	34.6
107.04928	10.7
107.08606	25.1
109.06509	14.4
109.10168	6.3
115.05405	10.4
117.06997	24.7
119.08582	37.9
121.06495	10.8
121.10123	7.7
128.06245	7.0
129.06978	18.5
131.04961	4.5
131.08583	17.6
133.06471	10.5
133.10141	20.8
135.08049	28.8
137.09631	6.9
143.08582	17.7
145.06477	8.7
145.10146	18.4
147.08049	71.7
147.11684	5.3
149.09660	7.5
152.75577	4.1
155.08501	8.4
156.09366	12.0
157.10127	21.8
159.08073	20.2
159.11713	9.2
161.09598	19.2
163.07533	79.5
165.06921	6.5
165.09155	4.5
167.08562	7.9
169.10129	12.6
170.10883	5.3
171.08018	9.5
171.11731	26.8
173.09616	17.4
173.13232	10.0
175.07542	7.7
175.11255	10.0
177.09181	4.9
179.08580	10.4
181.10127	10.1
182.10904	9.4
183.11687	16.4
185.09648	7.4
185.13263	11.5
187.11191	6.8
187.14818	9.7
193.10214	6.9
195.11729	11.6
197.09584	8.3
197.13271	14.4
199.11200	14.0
200.12074	5.1
201.12733	9.9
207.11769	6.7
208.08931	5.2
209.09572	7.7
209.13307	11.9
211.11163	11.4
213.12714	11.0
215.10730	6.8
215.14299	21.5
217.12143	5.2
220.12415	5.7
221.13443	5.8
223.11105	10.3
225.12775	7.7
229.12285	7.8
233.15254	6.1
235.11162	5.7
235.14893	8.1
237.12630	7.1
243.11578	4.8
243.13748	7.6
245.09477	5.7
245.15398	7.5
249.16505	5.8
261.12659	6.8
273.12790	8.8
287.14352	6.1
297.12909	5.1
313.15536	7.5
327.17349	6.1
329.15213	6.6
338.05020	4.8
341.18973	6.7
343.20419	5.2
345.18472	10.1
347.19971	5.9
353.19083	15.8
361.21408	12.8
363.19461	5.8
371.20135	29.5
389.21133	48.4
407.22253	37.8
425.23141	6.3
449.23138	14.7
467.24408	5.4
510.13498	4.5
529.25873	5.2
571.26880	46.3
607.29242	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	607.2906
Annotation	1-Deacetylkhivorin
Peak:m/z	Relative Intensity
51.02374	3.3
53.03953	11.5
55.01884	14.6
55.05499	5.0
67.05504	7.6
69.03432	9.7
69.07057	4.5
69.84949	10.6
77.03921	2.4
79.05500	17.1
81.03429	14.2
81.07037	9.7
83.04969	6.8
84.05849	1.8
91.05489	30.2
93.07044	21.5
95.01344	3.7
95.04981	21.5
95.08611	5.3
97.06512	3.4
97.79972	2.0
103.05465	3.6
105.03401	88.5
105.04482	3.4
105.07031	25.1
107.04995	13.1
107.08602	20.2
107.68580	2.1
109.06538	17.1
109.10172	3.5
111.04445	3.1
111.08069	2.9
115.05425	11.3
117.07018	24.6
119.08594	28.5
121.06506	12.5
121.10136	5.8
123.08077	4.7
123.80181	2.2
128.06226	7.1
129.07010	18.9
131.04924	4.2
131.08568	20.9
132.05690	2.2
133.06496	10.5
133.10132	29.1
135.08052	32.3
137.09631	3.6
141.07063	4.3
142.07794	8.1
143.08568	18.9
144.09319	2.4
145.06523	11.3
145.10139	18.3
147.08060	73.6
147.09221	4.2
147.11696	5.3
149.09625	4.8
153.06966	2.7
155.08565	8.9
156.09312	14.5
157.10141	22.7
158.07266	2.9
158.10854	2.5
159.08038	21.2
159.11668	9.3
161.06004	2.8
161.09628	19.0
163.07555	100.0
163.11227	2.8
165.06949	5.2
165.09131	3.4
166.07851	4.5
167.08592	6.0
168.09332	3.9
169.10133	13.8
170.10880	4.7
171.08029	4.6
171.11720	33.4
172.08740	2.2
173.05951	4.5
173.09622	15.6
173.13297	12.4
175.07591	12.0
175.11183	8.5
179.08606	4.6
180.09299	5.5
181.10147	8.5
182.10938	7.1
183.08063	2.8
183.11693	17.6
185.09605	10.3
185.13269	8.7
187.07570	2.6
187.11195	8.9
187.14827	8.0
189.09137	5.0
189.12746	4.9
192.09607	2.4
193.10136	5.8
194.10977	5.2
195.07909	2.6
195.11757	12.4
196.08751	3.1
196.12405	2.2
197.09625	8.0
197.13298	18.1
199.11163	15.2
199.14865	4.9
201.09084	2.5
201.12776	11.3
203.10754	3.6
203.14336	2.9
205.10187	3.0
206.10944	4.0
207.11725	10.7
208.08820	3.1
209.09674	4.7
209.13135	10.0
211.11180	7.2
211.14748	2.1
213.09036	3.4
213.12732	12.4
215.08691	2.3
215.10757	4.8
215.14384	16.0
217.10289	2.9
217.12328	3.3
218.10916	2.5
219.11795	3.5
220.12436	4.1
221.13268	4.4
223.11118	11.2
223.14740	4.2
225.09218	3.2
225.12712	11.2
227.10678	3.3
227.14276	10.6
229.10164	3.4
229.12210	10.1
230.10916	2.6
231.11697	3.7
231.13765	4.4
232.12462	2.4
233.13379	3.4
233.15335	4.6
234.14066	2.7
235.11176	4.8
235.14877	5.6
237.12727	7.1
239.14252	2.5
241.12305	5.0
243.13806	7.8
244.12506	2.3
245.13197	3.7
245.15433	8.6
247.11124	4.9
249.12761	3.2
249.16516	5.1
251.14391	3.6
253.15910	3.6
255.11661	2.9
257.13348	3.9
259.14999	2.8
261.12720	4.7
261.16513	3.4
263.14337	4.7
267.17572	2.8
269.13190	3.4
271.11227	2.5
272.11966	2.3
273.12643	4.4
274.13437	3.4
275.14243	5.9
277.15952	4.3
281.15411	3.3
283.11490	2.2
283.14722	3.0
285.12411	2.7
287.14117	4.9
297.12814	6.1
298.13458	3.7
299.14267	2.8
301.15820	3.0
303.17392	3.3
309.12534	3.0
311.14276	5.3
312.15106	5.0
313.15552	5.3
313.18555	3.5
321.18405	2.3
323.14294	6.5
327.17416	10.1
328.18423	2.8
329.15240	2.5
331.16934	2.5
338.16531	3.9
341.15317	3.6
341.19058	8.0
343.20609	6.7
345.18439	9.0
347.19958	4.2
353.18997	6.9
356.17499	2.5
359.19974	6.1
361.21640	9.7
363.19635	5.7
371.20081	25.8
377.21329	3.2
389.21136	45.2
401.20850	4.0
407.22226	38.0
425.23172	5.7
449.23193	13.5
467.24295	9.7
495.23618	5.7
511.24591	2.4
512.67200	2.0
526.01807	2.2
529.25964	3.7
542.53491	2.0
547.27057	2.6
571.27014	36.5
577.17291	2.4
586.90521	2.1
589.27435	4.4
607.28613	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01871	1.7
55.05521	4.3
67.05506	3.7
69.03423	2.9
69.07069	1.7
69.49416	3.1
69.49843	3.1
79.05493	5.5
81.03410	1.8
81.07050	5.5
83.04999	7.0
85.02908	1.4
87.95807	0.7
91.05479	7.1
91.58986	0.7
93.07037	5.3
95.04980	5.7
95.08621	5.1
97.06537	1.3
101.02445	0.8
103.05473	38.5
104.05786	1.3
105.03400	2.9
105.07024	7.8
107.04963	1.7
107.08597	6.1
109.06523	3.2
109.10165	1.5
111.04389	0.8
115.05420	1.3
117.07018	4.7
119.04993	1.3
119.08592	10.9
121.06511	3.0
121.10159	2.8
123.08044	2.3
128.06235	1.6
129.06999	3.0
131.04933	100.0
131.08594	4.9
132.05264	4.0
132.56102	0.9
133.06485	2.3
133.10135	6.9
135.08066	4.1
142.07759	2.2
143.08554	5.0
145.06491	10.7
145.10117	5.4
147.08061	4.6
147.11688	1.7
149.09613	2.6
155.08568	2.5
156.09354	2.6
157.10152	8.6
159.08090	7.1
159.11682	4.8
161.05991	1.3
161.09647	4.5
161.13290	0.9
163.07573	1.9
167.08536	1.0
169.10112	4.5
170.10817	2.4
171.08061	2.5
171.11691	7.3
172.11974	1.0
173.06111	0.9
173.09599	4.8
173.13284	1.6
175.07603	2.2
175.11226	1.5
177.09019	1.0
179.08508	1.7
181.10172	2.2
182.10863	1.1
183.08055	1.2
183.11691	5.6
185.09610	3.2
185.13249	4.8
187.07565	3.1
187.11212	3.1
189.05435	1.0
189.09225	1.1
192.09314	1.1
193.10083	2.6
194.10675	1.3
195.08067	1.8
195.11713	3.2
196.08783	1.1
197.09650	3.9
197.13322	2.1
198.10361	1.0
199.11226	5.7
201.09108	1.6
201.12764	1.9
203.10579	1.2
205.10229	1.6
207.11748	3.7
208.12363	1.3
209.09636	3.4
209.13272	3.0
210.10303	1.1
211.11238	3.6
213.09096	1.4
213.12782	4.8
215.10663	1.8
217.10213	1.7
217.12233	1.8
218.10760	1.9
219.11726	2.6
220.12442	1.6
221.09651	1.0
221.13290	3.7
222.10393	1.2
223.11191	3.7
225.09138	1.8
225.12769	2.6
227.10643	1.3
227.14445	1.1
229.10175	1.2
229.12259	1.8
230.10724	1.0
231.11716	1.7
231.13800	1.5
232.08954	0.9
232.12303	2.3
233.13235	2.4
234.10291	0.9
234.13988	1.4
235.11180	2.8
235.14839	2.9
236.11946	1.1
237.12825	2.4
237.16344	1.2
239.10686	1.2
239.14304	2.5
243.11710	1.6
243.13811	1.5
244.12469	1.3
245.13248	2.7
246.10426	1.2
246.14021	1.7
247.11208	1.3
247.14795	1.9
248.11946	1.9
249.12737	3.0
249.16473	1.9
250.13354	0.9
251.10631	1.5
251.14299	2.9
253.12311	1.5
257.13287	2.0
258.14032	1.7
259.11194	1.4
259.14828	1.9
260.12042	1.1
261.12729	2.3
261.16431	1.3
263.14285	1.7
264.15280	0.9
265.12296	1.4
265.15930	1.5
267.13818	2.2
267.17511	1.0
272.11743	0.9
273.12735	1.4
273.16373	1.5
274.13495	1.2
275.14182	2.4
275.17807	1.2
277.16046	1.9
279.14020	1.4
279.17264	1.9
285.16278	1.4
287.14224	1.4
289.12399	1.0
289.15756	1.3
290.16614	1.6
291.14230	1.2
291.17456	3.7
292.14545	1.0
293.19122	1.5
297.15265	1.1
301.15701	1.6
303.13812	1.2
303.17645	1.8
305.15207	1.0
305.18707	2.0
307.13187	1.0
309.15256	0.9
315.17447	1.2
317.15485	1.2
320.17575	1.0
321.18494	3.2
323.20090	1.5
329.19165	1.1
333.14801	2.3
333.18494	1.4
339.19598	3.2
343.16913	1.1
345.18457	2.1
347.16415	1.7
351.15616	1.2
357.20410	3.2
359.20023	3.9
361.17905	1.9
363.15695	1.1
369.18591	2.4
375.19550	2.4
376.20007	1.2
377.21008	2.6
379.18948	1.5
381.16904	2.9
387.19650	6.0
388.19730	1.2
392.23077	1.4
393.20621	1.7
395.21912	2.2
397.20010	1.1
399.18005	10.4
405.20526	9.6
406.20993	2.5
423.21634	16.9
424.22055	2.0
441.22778	23.5
442.22980	2.0
447.21838	1.0
459.24023	6.4
505.25674	2.4
571.26599	1.7
589.27417	5.5
607.28778	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	607.2555
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
55.05499	1.5
66.94650	0.6
67.05508	3.5
69.07044	1.4
71.55640	0.8
72.52740	0.5
78.04857	0.6
79.05505	3.2
81.07073	3.7
83.08636	0.5
87.48100	0.5
91.05502	2.7
93.07079	2.8
95.04984	0.7
95.08595	1.9
105.07039	2.5
107.08579	1.7
109.10146	0.9
117.06994	1.3
119.08594	1.7
120.08105	0.7
121.10140	0.7
128.06235	0.7
129.06993	1.3
131.08563	1.5
133.10101	1.2
135.11646	0.8
141.07062	0.7
143.08514	1.3
145.10153	1.8
155.08595	1.1
157.10193	1.3
159.11723	1.2
168.59828	0.6
169.10153	0.9
181.10132	0.8
183.11729	0.9
195.09076	0.6
197.10802	0.8
201.05615	0.7
207.09286	0.9
208.09947	1.0
209.10782	1.0
210.11380	1.1
211.12306	0.9
221.10779	1.2
222.11603	1.1
223.08647	0.8
223.12314	2.4
224.12985	0.8
225.13867	2.9
226.14526	0.9
235.08693	1.6
235.12360	1.1
236.13200	0.8
237.10233	1.1
237.13882	2.3
238.14575	0.5
239.15422	1.1
247.09233	0.5
249.10205	2.1
249.13876	0.9
251.11740	1.4
265.09665	0.8
265.12979	0.7
269.12988	0.9
270.13525	0.8
277.09756	0.9
286.50012	0.6
295.10910	0.7
322.09866	0.6
325.12076	0.9
338.12808	1.8
340.14508	1.1
368.17596	0.8
374.15802	0.7
380.83478	0.6
389.17804	0.7
403.19257	1.5
405.20538	0.8
415.15613	0.9
416.16110	1.1
417.16995	1.8
418.17380	0.7
419.22556	0.9
428.16418	0.8
429.17261	1.7
430.17957	1.9
431.18243	3.5
432.19223	1.1
443.18439	1.8
445.20502	4.7
446.20932	4.1
447.21689	4.8
454.17459	1.5
459.17429	0.9
459.22278	1.1
460.22528	1.0
461.23807	1.0
472.18573	1.1
473.24277	1.0
474.20581	2.4
475.20828	2.9
487.21439	2.5
501.22827	1.3
502.20004	0.9
515.21124	1.2
519.24213	4.4
529.21802	1.1
531.23785	1.2
534.22614	1.1
547.23309	21.2
575.22809	5.9
579.26086	1.1
589.24438	1.6
607.25500	100.0
607.43335	8.6
608.26013	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	607.2555
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
55.05509	0.4
60.93653	0.3
64.87270	0.3
67.05502	0.6
69.38981	0.4
69.39385	1.9
70.04673	0.3
79.05485	0.4
81.07059	0.6
91.05473	0.5
93.07062	0.5
94.06549	0.3
95.08588	0.3
105.07027	0.4
106.06531	0.3
107.36684	0.3
119.08614	0.3
129.89774	0.3
147.50459	0.3
155.75302	0.3
209.10817	0.4
221.10767	0.3
223.12221	0.6
235.12257	0.5
237.10416	0.4
237.13719	0.3
251.11676	0.3
261.13733	0.3
272.12061	0.3
300.11722	0.4
300.15109	0.3
310.13382	0.5
322.13547	0.3
338.12863	0.3
375.16147	1.0
376.16922	0.4
377.18518	0.3
387.16391	0.8
388.16956	1.2
389.17670	3.6
390.18536	1.2
390.26111	0.3
391.19315	0.7
392.20215	0.5
401.17639	1.1
402.14090	0.6
402.19003	1.4
403.19470	6.0
404.20374	2.1
405.20862	3.0
415.19421	1.2
416.15875	1.7
416.21182	0.4
417.16150	4.3
417.21082	2.8
418.17368	1.1
418.22589	1.6
419.22485	8.1
420.23019	0.9
423.51324	0.3
429.21262	0.4
430.17059	1.3
431.18356	9.5
432.19077	3.0
433.19873	3.0
443.18790	0.5
444.19711	0.4
445.20319	7.8
446.15457	0.4
446.21121	7.6
447.21854	9.8
459.17795	1.5
459.22195	1.6
460.18103	0.5
460.23026	0.9
461.19186	1.7
462.24994	0.3
463.24744	1.2
473.19144	1.0
473.23840	1.0
474.20465	9.7
475.21185	10.7
476.22028	0.6
477.22751	0.9
478.23694	0.7
487.21365	2.7
490.23767	1.5
491.20490	1.4
491.25394	0.9
501.22797	1.9
503.24588	0.6
504.21603	0.5
505.22263	0.8
506.23087	0.7
518.23126	0.4
519.24084	13.8
529.22742	0.5
532.20880	0.7
547.23413	58.3
548.23993	1.5
561.25372	1.3
564.38751	0.3
575.22864	0.8
579.26172	4.6
589.24762	1.0
607.25513	100.0
608.25610	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17889	0.7
55.05500	2.3
56.18723	0.6
67.05508	5.5
69.07054	2.2
69.95257	2.4
79.05494	5.0
81.07068	5.2
83.08621	1.2
87.09276	0.7
91.05495	5.8
91.82065	0.6
93.07053	3.8
94.07402	0.7
95.08607	3.6
97.10134	0.7
98.21542	0.8
105.07032	4.2
107.08562	2.7
109.10132	1.2
117.07038	3.3
119.08566	2.7
121.10120	2.0
129.06985	2.0
131.08562	3.1
133.10100	2.5
135.11671	0.7
141.07042	1.1
143.08580	1.6
145.10103	2.5
147.11681	1.5
155.08543	1.0
157.10071	2.0
159.11627	1.8
167.08498	0.9
169.10141	2.0
171.11682	1.3
173.13344	0.8
176.67490	0.8
181.10132	1.0
183.11659	1.2
185.13217	0.9
195.11674	1.3
197.13182	0.8
207.11586	1.1
209.13100	0.9
221.29126	0.7
225.16278	0.7
316.74045	0.7
403.18994	1.3
417.16394	1.3
431.18488	2.3
432.19119	1.2
433.23813	0.9
445.20111	2.3
446.20856	1.3
447.21707	1.6
459.17303	1.6
460.17584	1.1
460.22583	2.6
461.22925	3.1
463.22128	0.7
470.21231	1.0
472.19016	0.8
473.19489	3.0
474.20346	5.1
475.21320	20.9
476.21613	2.1
488.21729	5.2
489.22977	3.4
501.18594	1.0
502.19748	1.9
503.24442	21.0
504.24249	1.3
505.22137	1.8
516.21454	1.7
519.20160	2.2
531.23853	9.3
533.21619	3.1
533.39813	0.8
534.22571	4.5
547.25885	7.7
548.16620	1.1
548.24164	17.2
570.05963	0.9
575.22839	9.9
589.42004	1.6
607.25360	100.0
607.42163	14.1
608.25848	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	607.2551
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
70.70538	0.5
70.70879	0.6
70.97039	0.3
93.98586	0.3
116.33038	0.3
152.97816	0.3
188.33270	0.3
191.06319	0.3
200.31808	0.3
235.11928	0.3
242.65984	0.3
271.00879	0.3
382.03839	0.4
385.55121	0.3
388.16864	1.0
389.17816	2.2
390.18243	1.0
391.19061	1.0
401.17685	0.4
402.18591	1.0
403.14679	0.6
403.19577	3.9
404.20135	1.8
405.20566	2.9
406.21671	0.4
414.17606	0.4
415.15265	0.5
416.15823	0.6
417.16269	4.0
417.21252	1.6
418.17487	0.9
418.22156	0.7
419.22577	6.1
420.23099	1.2
429.16791	0.5
430.17859	0.7
431.18329	7.7
431.24197	0.5
432.19345	3.7
432.23984	0.4
433.19983	3.7
435.22134	0.4
443.18231	0.4
445.19968	4.9
446.21069	7.0
447.21851	9.1
448.22595	0.4
459.17368	0.8
459.22195	1.3
460.18408	0.7
461.19879	1.4
463.20673	0.5
473.19220	0.8
473.24176	0.6
474.20441	4.2
475.21127	4.4
476.21716	0.4
477.22949	1.3
478.23663	1.0
487.21143	1.9
490.23972	0.7
491.20132	2.6
501.22989	1.3
502.23688	0.4
504.21890	0.5
505.22476	1.2
519.24091	16.7
547.23364	13.9
548.23492	0.6
551.26276	0.6
579.17615	0.6
579.26086	5.7
607.25531	100.0
608.25842	2.5
617.82904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.4
54.67616	4.0
55.01870	7.7
55.05515	20.9
59.37075	4.2
61.95235	3.8
67.05495	16.4
69.03426	8.7
69.07079	7.8
71.55757	4.0
79.05517	23.0
81.03408	7.0
81.07050	17.9
83.04987	18.8
85.06502	5.1
91.05478	41.6
93.07069	23.7
95.04974	22.1
95.08605	13.4
97.06510	4.1
103.05475	42.8
105.02721	7.2
105.03401	89.5
105.04488	5.8
105.07034	62.5
107.04991	5.8
107.08606	18.6
109.06503	7.6
109.10165	8.1
115.05448	16.2
117.07035	32.3
119.08598	60.1
120.08949	3.7
121.06531	8.2
121.10136	8.8
123.08078	7.3
128.06230	7.8
129.06982	10.8
131.04947	100.0
131.08565	32.1
133.06506	17.6
133.10146	34.8
135.08052	7.7
135.11746	4.5
137.05945	4.2
141.07002	12.1
142.07780	10.7
143.08571	25.8
144.09306	4.6
145.06485	25.5
145.10115	28.9
146.10522	4.0
147.04442	5.9
147.08055	16.2
147.11688	4.4
149.09657	29.0
151.07494	4.2
153.05502	4.6
155.08549	16.1
156.09375	19.7
157.10147	80.3
158.10878	6.7
159.08073	14.1
159.11694	56.3
161.05981	25.9
161.09624	10.2
163.07549	21.8
165.06946	3.9
165.09137	7.3
167.08594	9.2
168.09375	4.8
169.10132	28.5
169.89392	4.4
170.10884	11.2
171.08054	11.1
171.11716	62.5
172.12021	8.4
173.05954	13.0
173.09621	20.0
173.13344	21.9
175.07495	19.5
175.11205	5.7
177.09137	59.7
177.48140	3.8
179.08485	5.3
179.10811	4.8
181.10121	13.1
182.10812	5.1
183.08002	7.8
183.11711	59.5
184.08791	3.7
184.12042	5.6
185.09624	16.1
185.13300	27.0
187.07555	8.3
187.11095	11.9
187.14839	3.8
189.05507	19.6
189.09105	8.9
191.07025	6.8
192.09167	4.2
193.08572	3.9
193.10138	14.9
194.10950	5.2
195.11664	13.6
196.08777	5.0
197.09586	18.1
197.13318	14.1
199.11215	18.7
200.11658	5.6
201.09154	7.3
201.12744	14.3
205.08524	5.4
205.10281	6.7
205.12161	6.7
206.10889	6.1
207.11688	15.8
208.12442	8.8
209.09648	4.8
209.13232	13.2
211.11189	15.4
213.09302	4.0
213.12727	11.0
215.10657	6.4
217.12186	8.4
218.10861	6.7
219.11757	9.6
220.12360	5.5
221.13251	14.3
222.13786	5.1
223.11259	9.4
223.14786	4.7
225.12701	4.9
227.10730	9.7
229.12283	12.3
230.10933	8.2
231.11845	7.0
231.13846	13.0
232.12440	6.1
233.13202	11.2
233.15323	13.5
234.13956	5.5
235.11143	7.4
235.14909	8.6
237.09044	4.1
237.12805	5.2
239.14410	8.1
243.11823	6.5
243.13901	8.1
244.12456	8.8
245.13206	11.2
245.15485	5.2
246.14067	9.2
247.11284	8.0
247.14816	9.1
249.12744	8.0
251.10730	4.5
251.14250	8.2
255.11537	5.2
257.13269	11.6
258.14142	9.0
259.11066	5.9
259.14880	10.7
261.12524	6.3
261.14850	4.7
261.16516	5.6
263.14377	7.1
266.90216	3.7
269.13065	8.8
270.13943	4.4
271.11130	6.5
271.14279	5.0
272.15488	6.1
273.12729	5.1
273.16284	15.2
275.17896	7.5
279.13855	5.0
281.15305	4.9
283.14816	7.3
286.13541	6.0
287.14386	5.3
287.17679	6.8
288.14935	4.4
291.13852	7.5
291.17343	5.5
299.14053	5.1
299.17422	4.1
300.14880	7.3
301.15793	18.1
301.64990	4.4
303.17578	6.0
315.17468	8.6
317.15472	7.6
319.13446	6.0
319.16858	19.8
321.18549	8.3
329.15421	16.3
331.16977	14.0
333.18372	8.2
337.18384	5.6
343.16846	17.3
345.18549	9.3
347.16302	22.3
349.18015	13.0
361.17963	30.2
363.19507	7.3
365.17371	5.4
371.16461	16.6
373.18069	6.8
375.15723	7.0
377.21295	6.8
379.19073	10.6
389.17264	25.1
389.21848	5.6
391.19080	6.2
393.20551	10.8
399.17743	5.2
403.19025	13.5
405.20648	15.1
407.18256	9.5
417.17252	4.7
421.20117	51.0
423.22116	21.1
431.18848	7.9
435.18051	4.6
439.21143	22.9
441.22879	16.6
449.19653	24.8
467.20724	26.2
470.70447	4.3
485.21609	5.9
589.24792	7.3
607.26483	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	607.2364
Annotation	Woorenoside II
Peak:m/z	Relative Intensity
60.19344	0.4
70.11420	0.9
70.11773	0.7
79.05440	0.3
81.07061	0.5
84.08179	0.3
85.02920	0.5
87.68336	0.4
93.07052	0.5
95.04939	0.5
97.02885	0.5
105.07021	0.7
111.04224	0.6
126.07449	0.4
131.04932	0.4
137.06088	0.4
157.10104	0.4
161.06035	0.4
168.53766	0.4
189.05241	19.2
190.05977	1.6
260.90918	0.4
262.91333	0.4
291.12286	0.4
429.15335	1.8
430.16016	0.7
444.17230	2.3
445.13629	0.3
445.18387	13.8
607.23615	100.0
608.23944	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.01873	4.2
55.05509	3.4
57.03427	4.2
67.05499	10.4
69.03429	4.3
70.09699	4.8
70.10092	3.6
72.41842	2.3
75.04472	5.4
79.05486	14.3
81.03421	10.5
81.07056	10.6
82.99897	1.9
83.04977	3.6
84.32376	2.0
85.02893	3.1
86.09722	3.6
91.05471	19.1
93.07048	11.9
95.01307	2.0
95.04955	14.9
95.08612	12.0
95.80376	1.8
97.02930	4.8
100.07657	2.2
103.05475	7.7
105.07032	49.8
107.04936	5.8
107.08571	3.6
107.29530	1.9
109.02907	2.9
109.06531	7.1
115.05439	12.4
116.06272	4.1
117.07033	8.7
119.04944	4.6
119.08605	10.6
121.02835	2.7
121.06512	10.4
123.04427	3.4
123.08070	6.2
125.06032	2.1
128.06238	6.2
129.06984	7.9
129.78897	2.0
131.04947	6.3
131.08566	37.1
133.06499	65.7
133.10103	6.7
135.04416	2.1
135.08061	8.6
137.05980	5.4
141.06982	6.7
142.07794	7.3
143.08562	25.1
145.06468	33.2
145.10118	21.3
147.08043	13.7
149.06001	4.6
149.09555	2.8
151.07597	13.2
153.29053	2.1
155.08530	10.9
156.09369	3.3
157.06529	3.8
157.10088	11.8
158.10915	3.2
159.08060	43.4
159.11713	7.0
161.05981	79.6
161.09625	6.3
163.07550	7.7
165.07025	4.3
166.07803	3.2
167.08513	2.5
168.09401	5.6
169.10135	4.5
170.10913	2.0
171.08070	8.8
171.11652	9.7
172.08781	3.0
173.05948	3.1
173.09596	14.7
173.13255	15.7
175.07535	4.7
175.11166	3.0
177.05501	5.1
177.09113	5.0
179.07092	15.2
181.10167	3.8
181.57268	2.0
183.08038	4.4
183.11758	8.7
184.08852	2.6
185.06052	4.7
185.09633	7.9
185.13309	2.9
186.10428	4.3
187.07559	7.2
187.11217	8.2
189.09106	4.0
195.08052	2.1
197.09593	9.7
199.07571	9.2
199.11186	19.9
200.11983	4.2
201.09084	3.8
201.12744	47.8
203.07059	5.4
203.10658	2.5
205.04987	3.0
206.81927	2.0
209.09651	4.5
213.09126	4.0
215.10747	5.6
217.08498	3.2
219.13809	6.6
225.09125	7.4
227.10632	21.3
229.08551	3.3
229.12297	6.1
231.06540	19.6
231.10123	3.5
231.68695	2.0
239.10780	3.3
243.06467	2.2
243.10280	5.3
245.11693	10.0
255.10092	2.7
261.11240	2.8
271.09616	4.1
273.11227	51.9
278.78006	2.2
289.10745	7.8
291.12250	100.0
307.11719	3.9
317.10260	2.7
347.15305	4.0
375.15179	2.3
379.18988	2.7
389.17300	2.2
391.14053	6.0
393.15500	33.1
405.16895	4.7
409.14841	6.2
411.16522	72.1
423.18042	3.6
433.16370	8.2
447.16364	2.5
451.17630	20.8
469.18552	17.2
477.06967	2.3
487.19412	4.8
553.20490	10.3
571.21753	71.6
572.22211	3.1
574.19965	2.4
589.22620	8.9
607.22949	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	606.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10107	1.5
53.03954	3.0
55.01869	4.7
55.05500	3.6
55.70602	1.1
57.07062	1.2
67.05497	6.0
69.03450	1.7
69.07072	3.9
70.15287	2.5
70.15656	5.4
75.07355	1.4
79.05500	8.7
81.03439	3.4
81.07059	24.1
83.04977	3.0
83.08627	2.1
91.05482	9.5
92.05828	1.4
93.07047	10.6
95.04968	4.3
95.08086	1.7
95.08611	10.8
96.38773	1.3
97.06541	2.5
98.20844	1.6
103.05478	19.6
104.05799	10.7
105.06324	2.0
105.07027	11.7
107.08601	13.1
109.06544	10.0
109.10133	8.1
115.05503	1.5
117.07020	5.7
119.08595	18.1
120.08926	2.2
121.06485	1.9
121.10151	12.4
123.08064	2.1
123.11736	3.4
129.06955	3.8
131.04936	34.4
131.08604	10.1
132.05270	21.0
133.05536	5.1
133.06560	1.5
133.10129	11.7
135.08063	6.7
135.11699	8.9
137.13266	2.2
139.72672	1.4
142.07788	3.6
143.08580	9.5
144.08884	2.1
145.06493	1.8
145.10135	14.6
147.08067	8.4
147.11705	7.1
148.08411	5.0
149.09624	3.2
149.13295	1.8
153.06897	1.7
155.08534	4.0
156.09300	3.0
157.10136	19.8
158.10544	2.0
158.45900	1.5
159.08035	5.1
159.11720	14.6
160.08414	4.7
160.12030	2.2
161.09654	7.3
161.13290	4.6
162.10025	2.4
163.07538	4.8
163.11252	2.3
164.07922	3.0
165.08168	1.9
169.10135	5.6
171.11664	10.4
172.12012	3.2
173.09651	4.7
173.13345	9.2
175.11267	3.4
175.14870	3.4
175.60677	1.5
177.12766	1.7
181.10141	3.1
183.11674	8.6
184.12143	2.2
185.13258	8.6
186.13660	2.9
187.11194	3.5
187.14912	9.6
193.12082	1.7
195.11731	2.8
196.12358	1.7
197.13264	8.8
199.11237	3.4
199.14804	4.9
201.12772	2.9
201.16429	4.2
207.11792	2.1
209.13232	2.4
211.14801	4.4
212.15607	1.8
213.12753	4.6
213.16379	6.2
214.12946	1.4
215.14401	3.4
221.13297	2.3
222.13892	1.9
223.14864	3.7
225.12749	5.4
225.16443	4.0
227.17891	9.3
228.18721	8.2
229.19493	15.1
231.13708	1.8
235.14743	2.3
237.16429	2.9
243.13734	3.5
245.18979	2.0
249.16441	3.2
251.17949	2.3
253.19502	3.6
255.21133	2.9
269.19086	1.7
271.20554	21.4
273.15985	1.7
273.22177	1.5
289.21637	6.8
291.21167	2.2
293.22617	3.4
295.16895	1.5
295.20523	1.6
301.20004	2.2
309.22241	2.6
311.23651	3.2
329.24969	1.7
335.23798	3.0
337.25320	4.8
351.26889	4.0
353.24808	4.7
361.25320	7.3
379.26349	19.4
381.27811	2.2
388.45346	1.4
397.27380	23.3
422.23126	3.4
433.30933	4.1
439.28253	5.0
440.24222	2.4
451.32001	5.4
457.29529	100.0
529.35114	4.1
547.24976	1.5
574.27551	1.6
607.28784	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	606.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01859	1.7
55.05513	21.0
56.05029	2.3
57.03423	2.0
59.04989	2.6
60.04507	2.0
61.55378	1.1
62.06079	3.3
65.26003	1.0
67.05517	5.4
69.03428	9.4
69.07078	18.0
69.58052	5.0
69.58461	1.9
70.06583	7.2
71.05006	1.6
71.07374	2.0
72.08173	6.9
73.06551	2.3
79.05070	1.1
79.05485	6.9
81.03426	9.1
81.07049	5.3
82.06582	1.6
83.04493	1.3
83.04984	24.2
83.07375	2.7
84.04509	2.5
84.08141	2.3
85.02908	7.3
86.06073	75.8
86.09726	1.5
91.05490	3.6
93.07045	4.2
95.04967	4.5
95.08592	3.2
96.07574	1.2
96.08134	13.8
97.02917	6.8
97.06550	5.4
98.06009	2.1
98.09701	31.9
99.04448	5.1
100.07612	4.5
101.06031	19.9
105.07027	3.3
107.04939	2.2
107.08589	3.5
108.08115	3.2
109.02897	11.7
109.06503	2.3
109.10135	1.5
110.09678	1.6
111.03708	2.3
111.04449	42.3
113.05991	1.2
114.09154	3.4
115.07545	1.6
116.07058	1.3
116.10739	100.0
119.04951	1.3
119.08589	6.3
120.08082	1.9
121.06477	2.6
121.08888	2.0
121.10146	3.0
122.09660	2.0
123.11666	1.3
124.07583	4.0
125.05974	1.6
127.03925	9.7
127.07520	1.2
129.05492	12.6
131.08516	2.6
133.10110	1.2
134.09554	2.4
135.08011	1.5
136.07544	1.3
136.11188	1.3
137.06021	2.2
137.09583	1.9
138.09079	1.5
140.10672	4.7
141.09097	2.5
142.08650	28.2
145.04935	1.5
145.10114	3.3
146.09750	1.4
147.06519	1.5
147.08150	1.1
148.11185	1.6
149.06020	1.5
149.09666	1.3
151.11182	2.0
152.10698	1.7
153.05438	1.5
154.08653	7.4
155.07050	11.5
158.11772	4.5
159.10165	4.2
161.05946	1.4
162.09157	1.6
162.12813	1.5
163.07520	4.0
164.10732	9.3
164.11909	1.7
172.09749	1.7
173.08081	3.1
173.09538	1.8
178.12231	2.0
180.13863	1.3
182.15500	9.6
184.13387	1.6
187.11139	1.3
190.12325	6.5
198.14957	2.0
206.11726	4.3
208.13356	12.6
212.16472	36.1
213.07582	1.2
224.12848	3.4
226.14392	45.2
230.17525	38.2
244.15492	5.6
255.08707	1.3
273.09723	4.1
286.16464	3.4
316.13800	3.6
340.21115	3.0
352.17566	18.0
355.11325	1.3
370.18634	18.6
388.19678	85.5
406.20728	31.2
444.25943	2.4
448.23248	1.2
466.24557	11.2
474.23181	2.8
484.25388	6.7
492.24420	87.5
502.26474	31.9
520.27216	4.6
536.45129	1.1
588.30084	12.3
606.31299	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	606.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
55.05512	21.1
56.05036	1.9
59.04998	3.1
62.06080	2.9
67.05505	3.1
68.05015	1.6
69.03418	7.2
69.07069	14.8
70.06581	5.5
70.19894	3.3
70.20284	3.2
71.01363	1.7
71.04987	3.4
71.07345	1.7
72.08158	8.3
73.02930	1.6
73.06528	2.1
79.05486	5.2
81.03418	11.0
81.07054	5.1
82.06561	1.7
83.04975	22.2
84.08139	1.9
85.02898	6.9
86.06069	77.9
86.09677	2.8
91.05486	3.9
93.07038	4.1
95.04964	3.5
95.08589	4.9
96.08127	16.9
97.02907	8.0
97.06530	4.9
98.06084	2.1
98.09097	2.2
98.09698	27.7
99.04449	5.3
100.07609	2.5
101.06026	23.7
105.07054	4.4
107.04912	1.5
107.08595	3.2
108.08134	4.2
109.02884	9.4
109.06518	2.3
109.10158	1.9
111.04446	43.5
113.05994	1.8
114.09188	2.9
116.10735	93.1
119.08607	7.1
121.06518	1.6
121.10119	2.1
122.09667	2.5
124.07578	5.1
126.09155	2.5
127.03916	8.7
129.05478	13.7
130.00374	1.5
133.10118	1.8
134.09660	3.5
135.10378	1.7
137.05991	2.6
138.09163	1.7
140.10695	5.9
142.08635	30.3
147.06500	2.3
151.07616	2.2
152.10678	2.6
154.08623	11.4
155.07034	10.2
158.11748	5.4
159.10268	2.2
159.11674	1.9
160.11220	1.6
162.12769	2.9
163.07591	2.4
164.10703	10.8
172.09676	9.1
173.08165	2.0
178.12296	2.3
180.13872	2.7
182.15430	10.8
190.12244	8.2
191.50307	1.4
194.11722	1.5
194.15379	2.9
198.14922	3.5
206.11728	5.2
208.13341	14.3
212.16479	36.5
224.12914	2.5
226.14389	42.5
230.17523	31.0
244.15440	5.8
273.09741	3.8
286.16528	4.0
291.12180	1.6
316.13910	2.5
334.16354	1.4
352.17609	16.1
370.18616	19.9
388.19656	87.6
406.15726	1.2
406.20712	33.5
466.24234	5.7
474.23199	2.9
484.25214	4.7
492.24445	100.0
502.26486	20.3
504.95746	1.4
520.27643	3.1
588.30273	13.2
606.31635	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46487	1.2
51.02381	1.0
51.31192	1.0
53.03945	3.7
53.80198	1.1
55.01873	1.3
55.05263	2.1
55.05515	30.2
57.03443	2.4
57.06836	0.9
57.07083	7.7
59.04984	1.6
64.44276	1.0
65.03936	3.6
67.05510	90.2
69.07074	42.6
71.04995	4.3
71.08638	2.5
71.55197	1.2
71.55569	1.3
79.05499	32.2
79.05970	1.6
81.07062	100.0
83.04993	2.2
83.08624	29.5
85.06571	4.3
85.10186	1.7
87.04459	1.6
91.05487	19.0
93.07051	32.0
95.04984	2.8
95.08611	86.9
97.03989	1.1
97.06557	5.9
97.10173	16.2
99.08129	3.6
101.06036	1.4
103.05497	1.2
105.07042	12.9
107.08604	20.0
109.06550	1.9
109.10158	34.8
111.08071	2.7
111.11716	6.6
117.07081	2.7
119.08569	12.0
119.09196	0.9
121.10155	18.2
121.90353	1.1
123.08141	1.6
123.11703	12.5
124.30959	1.1
125.09631	3.1
125.13291	1.2
129.09125	1.4
131.08565	5.3
133.10172	9.7
135.11693	16.2
137.09612	1.5
137.13303	4.0
139.11171	2.6
145.10153	4.1
147.11697	8.8
149.09688	1.3
149.13304	5.2
151.11154	1.7
151.14900	2.9
153.12744	2.8
154.41785	1.1
159.11758	3.4
161.13277	7.4
163.14914	1.5
165.12798	2.6
171.13887	1.2
173.13235	2.6
175.14890	2.6
177.12721	1.2
179.14435	2.6
187.14911	1.8
195.13934	1.3
217.19638	5.5
235.20700	4.0
243.21007	1.4
253.21858	1.2
261.22186	5.8
275.20264	1.8
279.23041	1.6
306.23898	1.2
311.26007	1.5
317.25027	1.5
327.25302	18.7
335.25790	41.8
383.45749	1.1
414.18448	1.6
428.20166	1.8
429.20850	4.8
434.01062	1.3
443.22507	2.0
444.22833	1.7
458.24774	1.9
459.21561	2.3
472.22873	2.1
473.23596	2.6
485.23706	4.3
486.24503	1.6
487.24939	3.7
495.42300	2.0
496.08823	1.4
507.39966	1.6
513.43243	2.9
517.26495	2.3
531.44135	2.0
545.25488	24.8
546.25958	2.7
573.24634	6.6
587.46759	10.9
605.27631	31.2
605.47870	58.2
606.28137	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	605.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.3
55.01881	9.3
55.05513	25.7
57.03439	11.3
57.07062	9.8
59.04993	6.7
61.02921	10.6
63.72809	3.9
64.98388	3.8
67.05511	54.8
69.03431	41.6
69.07068	42.0
70.06604	5.9
71.04985	16.7
73.02908	6.0
79.05491	42.1
80.26607	4.4
81.03420	29.5
81.07059	100.0
83.04979	20.9
83.08607	12.6
84.08144	10.4
85.02922	43.0
85.06543	12.0
87.00851	9.1
87.04467	7.6
91.05487	42.1
93.07054	76.8
95.04996	30.8
95.08615	90.9
97.02891	24.6
97.06533	16.4
97.10190	7.0
99.04486	11.9
103.05459	8.3
105.01900	6.4
105.03384	4.4
105.07030	68.7
107.04963	11.5
107.08598	76.0
109.02886	19.1
109.06525	21.7
109.10170	71.9
111.04448	13.2
111.08104	9.8
115.05434	5.3
117.06997	20.2
119.08594	62.7
121.06526	16.2
121.10140	44.8
123.08072	12.2
123.11710	28.6
125.05992	34.1
127.03912	28.1
129.06999	12.5
130.00659	4.1
131.04926	11.1
131.08591	24.4
133.06508	8.1
133.10130	39.0
135.08029	12.8
135.11723	21.8
137.05969	12.1
137.09567	6.3
137.13287	9.1
139.07574	10.3
142.07765	5.1
143.07130	4.2
143.08574	20.0
145.04962	7.1
145.06490	8.4
145.10136	40.0
147.08078	15.7
147.11691	28.3
149.05984	7.3
149.09659	13.1
149.13284	20.5
151.07512	4.4
151.11179	7.1
155.08676	8.2
156.09459	5.5
157.10146	23.9
159.08070	11.0
159.11700	21.9
161.09642	17.0
161.13278	16.7
163.07558	5.9
163.11174	13.4
165.07076	5.5
165.09128	5.4
167.08504	5.0
167.10732	9.2
169.10182	17.2
171.11674	23.7
173.09737	10.4
173.13301	9.5
175.11212	9.0
175.14850	18.8
177.16344	9.4
179.10699	7.7
183.11758	11.7
185.09735	5.9
185.13292	15.3
187.11166	5.0
187.14867	14.3
189.12787	4.8
191.10696	4.3
191.18013	14.2
193.08597	4.4
193.12251	8.7
197.13310	8.4
199.11214	8.8
201.12604	6.2
201.16440	19.1
203.14429	6.3
205.12227	5.7
207.13840	4.3
209.19083	10.0
211.11172	5.2
211.14868	8.2
212.50700	4.4
213.12764	7.5
219.17424	8.3
221.15298	6.8
229.15939	10.3
231.05148	5.7
237.18488	30.0
239.16489	12.0
247.17043	27.7
265.18027	60.7
267.21136	5.0
281.17468	17.1
281.21106	9.6
283.19101	7.7
285.12827	6.0
287.16559	5.1
303.23175	25.4
321.24200	31.4
339.25229	5.3
355.19061	8.3
369.20541	12.9
409.20148	4.6
411.25198	5.6
425.21582	6.2
435.44656	4.8
487.23151	6.4
495.22284	10.2
551.28571	6.4
605.32458	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	605.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.2
53.03941	6.3
55.01865	5.6
55.05513	68.5
55.05785	3.4
65.03946	1.4
66.86768	1.3
67.05508	8.1
69.03425	4.9
69.07066	3.6
71.05001	2.0
71.55778	3.0
72.92738	1.3
77.86949	1.4
78.28551	1.4
78.61062	1.3
79.05504	12.2
81.03416	6.5
81.07064	17.9
83.04984	100.0
91.05481	19.5
93.07046	12.7
95.04977	10.6
95.08601	19.0
99.30374	1.5
103.05464	21.9
105.03393	9.9
105.04528	1.7
105.07029	21.2
107.04959	5.3
107.08590	11.0
109.06544	8.7
109.10143	2.6
111.08041	1.8
115.05471	5.8
117.06995	11.3
119.08592	25.2
121.06518	4.2
121.10120	3.0
123.08085	3.0
128.06245	4.6
129.07004	9.2
131.04936	44.9
131.08591	17.5
133.06502	3.1
133.10130	17.4
135.08093	6.9
137.09619	2.2
141.07045	5.4
142.07802	7.6
143.08545	17.7
145.06471	12.9
145.10121	17.7
147.08038	25.1
147.11693	3.0
149.09625	6.5
153.06995	2.0
154.07782	2.8
155.08481	7.0
156.09349	14.1
157.06567	2.9
157.10126	40.7
158.07320	1.9
159.08069	31.2
159.11693	16.9
161.05997	2.5
161.09650	17.4
163.07571	2.8
163.11176	1.8
165.07014	4.3
165.09100	2.0
166.07854	2.8
167.08643	4.0
168.09398	3.6
169.10127	18.9
170.10849	7.8
171.08072	5.8
171.11690	41.8
172.08865	1.9
173.05998	9.4
173.09612	11.5
173.13319	4.7
175.07556	3.9
175.11171	3.9
179.08571	4.3
180.09329	3.6
181.10164	6.1
182.07286	4.0
182.10994	2.7
183.08118	6.0
183.11705	26.8
184.08836	3.5
184.12370	1.8
185.09605	9.6
185.13255	30.7
185.14857	2.1
187.07549	9.9
187.11180	11.5
189.12729	1.6
191.10666	2.7
192.09364	1.8
193.10187	6.2
193.12219	1.4
194.10907	2.4
195.08099	2.2
195.11681	8.9
196.08748	2.4
196.12495	1.8
197.09621	13.7
197.11270	1.2
197.11594	2.0
197.13254	16.9
198.10455	4.2
199.07690	2.9
199.11211	20.3
199.14784	1.5
201.09119	3.4
201.12776	5.2
203.08707	2.4
203.10660	2.7
204.09433	1.6
205.10237	3.2
205.12285	1.6
206.10983	3.0
207.11720	6.9
208.12631	3.2
209.09666	3.7
209.13217	9.9
211.11195	10.5
211.14851	2.9
213.09160	4.2
213.12723	21.0
215.10713	4.2
216.09535	1.8
217.10181	3.1
217.12169	15.4
218.10959	3.6
219.11823	3.3
220.12466	3.0
221.09776	2.9
221.13356	8.7
223.11209	7.0
223.14828	4.1
224.11884	1.6
225.09189	4.2
225.12845	6.1
227.10732	2.8
227.14314	1.6
228.09335	2.1
229.10184	3.0
229.12158	11.1
230.10954	1.9
231.11729	5.1
231.13893	11.7
232.12521	3.8
233.09618	2.8
233.13324	6.9
233.15326	1.6
234.10365	2.2
234.13939	1.9
234.43275	1.4
235.11237	3.6
235.14862	3.9
237.12788	6.1
237.16434	3.0
239.10704	6.2
239.14429	2.2
239.17903	2.3
241.10214	3.0
241.12187	7.2
243.11722	4.5
243.13962	6.9
244.12422	2.7
245.09706	5.1
245.13283	5.5
245.15398	13.4
246.10521	3.7
246.14091	6.0
247.11246	3.7
247.14914	3.0
248.11703	1.6
249.12807	4.0
249.16537	8.2
250.13622	1.5
251.14383	3.7
251.17929	10.9
253.12379	3.2
253.19676	2.4
254.10861	1.6
255.11560	1.9
255.13908	5.0
256.09094	1.6
256.12463	1.9
257.09491	1.6
257.11746	3.9
258.10272	1.5
258.14133	2.7
259.11163	4.0
259.13452	4.4
260.12088	2.6
260.15710	1.9
261.12927	7.4
261.16437	12.5
263.14304	2.8
263.18076	1.7
265.19522	6.0
267.11581	1.7
267.17499	2.7
268.12595	1.8
269.09698	2.6
269.13101	3.5
270.10632	1.6
270.13977	2.1
271.11172	4.6
271.14993	2.1
273.12503	3.0
273.15018	2.6
274.10025	1.7
274.13391	1.7
275.14371	4.4
275.17987	12.1
276.12042	1.7
276.15137	2.1
277.12177	2.9
278.12967	1.7
279.14325	2.6
279.17517	9.5
283.11166	4.5
283.14532	3.7
284.12018	2.1
284.15775	2.2
285.12854	6.3
285.16132	2.5
286.13565	5.2
287.10651	2.4
287.14294	5.1
288.15094	3.1
289.12228	11.5
289.15244	2.1
291.13733	3.3
291.17203	1.8
293.19016	7.9
296.11945	2.9
297.12735	5.3
298.13608	3.7
299.10693	5.6
299.14432	4.9
301.12531	2.8
301.16013	6.9
303.13831	6.1
303.17560	5.3
310.13425	2.0
311.14362	4.9
312.11649	1.8
312.15137	4.1
313.12323	6.2
313.15878	4.2
313.21777	1.7
314.13065	6.9
315.14059	3.3
315.17529	3.8
317.11765	5.4
317.15424	3.7
317.18878	2.5
321.18527	6.5
323.20126	2.6
325.12402	2.0
325.16034	2.9
325.21600	7.1
326.16855	2.3
327.13788	5.8
327.17422	4.0
328.14520	5.2
329.11685	3.0
329.15359	24.2
329.18933	3.3
331.17053	5.3
335.16754	1.9
335.20151	9.0
337.17914	1.8
339.13937	3.9
339.20059	1.8
340.14456	4.2
341.15219	2.2
341.18484	3.3
342.16187	2.3
343.16928	10.4
345.14819	5.8
345.18680	5.6
348.13620	4.0
353.21219	15.3
354.16418	4.7
355.16931	1.8
357.18600	12.3
359.20099	5.9
361.18179	2.9
363.19818	2.0
369.18518	15.8
371.22260	5.1
372.17178	2.4
373.18201	2.8
375.19473	2.4
377.21204	6.1
387.14539	2.5
387.19583	45.5
405.20621	80.7
423.21661	11.2
439.24689	2.8
469.23401	1.6
487.24759	4.3
505.25882	24.2
523.26819	27.0
527.24512	2.0
587.29498	2.5
605.31110	73.8
606.31287	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	605.276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60821	0.1
65.77072	0.1
67.05479	0.3
69.07052	0.3
69.33843	1.0
79.05499	0.2
81.07037	0.4
81.93008	0.1
89.76098	0.1
91.05481	0.3
93.07031	0.2
94.31668	0.1
95.08597	0.4
112.10638	0.1
123.11729	0.2
131.08530	0.2
140.46704	0.1
167.72528	0.1
217.92043	0.2
221.10806	0.1
371.13257	0.2
374.16580	0.2
376.17740	0.2
388.18256	0.2
399.16180	0.4
400.17139	0.6
401.17923	1.0
402.19275	0.4
403.19308	0.3
404.21130	0.4
412.18503	0.2
413.17508	0.8
414.18405	1.2
415.19247	4.5
416.20023	2.0
417.20950	0.6
419.22311	0.2
427.19104	0.7
428.20300	1.4
429.20880	8.3
430.16266	0.3
430.21649	4.5
431.22711	1.1
433.23816	0.6
442.21515	0.5
443.22864	4.3
444.23486	7.2
445.24326	4.8
446.24326	0.2
448.26160	0.8
455.18933	0.3
456.19473	0.6
457.19971	1.1
457.24335	1.2
458.19681	0.2
458.25592	2.6
459.21524	3.0
459.25922	2.7
460.22421	0.3
461.23511	0.2
470.21201	0.5
471.22055	1.1
472.22684	3.6
473.23492	5.8
474.24625	2.1
475.21243	0.2
476.22089	0.4
485.23502	3.9
486.24365	1.8
487.25006	20.8
488.26242	1.4
489.23096	1.0
499.21317	0.3
500.22119	0.4
501.23361	0.3
502.23727	0.4
503.24631	2.3
504.25180	0.5
513.22717	0.6
514.23682	0.2
517.26434	3.1
518.22351	0.8
527.24994	0.2
529.25964	0.2
530.23315	0.3
531.23822	0.8
532.24854	0.5
545.25543	20.1
546.26245	4.2
561.28607	0.2
573.25055	2.2
577.28198	0.7
590.25299	0.5
605.27625	100.0
606.28015	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.5
57.03455	0.6
57.07079	0.8
67.05506	3.7
69.07066	2.0
69.18459	2.3
69.18877	3.5
71.08630	1.0
79.05504	4.0
81.07065	4.4
83.08617	1.8
91.05488	4.5
91.97003	0.6
93.07043	3.4
95.04991	0.7
95.08601	4.5
97.06493	0.7
98.20783	1.4
105.07024	2.5
107.08591	2.2
109.10175	1.5
117.07042	1.4
119.08577	2.0
121.10143	2.1
129.06993	2.0
131.08578	1.9
133.10152	1.6
135.11684	0.7
143.08606	1.0
145.10149	1.7
147.11723	1.1
171.11688	0.9
181.30644	0.7
183.11726	0.8
195.11577	0.7
225.96370	0.7
275.20081	0.7
290.21841	0.6
302.88907	0.6
313.27341	1.4
374.16721	0.8
386.15970	1.1
388.18018	0.7
399.16043	1.2
400.16885	1.9
401.17651	2.0
402.19742	0.9
404.21164	1.0
410.15857	0.7
412.17758	0.9
413.17664	4.2
414.18356	5.0
415.19202	5.9
417.20795	0.9
427.19077	3.8
428.19879	5.2
429.20868	17.7
430.21619	1.9
441.16498	1.2
441.89847	0.7
442.21460	2.2
443.22620	10.4
444.23358	6.9
445.24384	1.0
455.18585	1.7
456.19501	1.4
457.24750	5.7
458.24982	9.3
459.21530	7.1
470.20831	1.8
471.21799	2.0
472.22760	8.8
473.23172	2.6
476.21918	1.4
485.23535	14.5
486.23990	3.3
487.21194	0.6
487.24484	0.6
488.22186	1.0
498.20474	1.2
499.21240	1.3
500.22125	1.7
501.22891	0.8
502.23718	1.1
503.24298	1.7
513.23120	3.2
514.23358	1.4
517.26044	9.2
529.26025	1.1
545.25494	100.0
546.25684	2.7
573.25018	17.2
605.27655	75.6
605.40881	5.0
606.27734	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81802	0.3
53.03946	0.5
55.01862	0.4
55.05526	2.3
59.42645	0.3
65.16839	0.4
67.05508	0.8
69.20149	1.1
69.20570	2.2
78.04721	0.3
79.05505	1.0
81.03416	0.5
81.07057	1.1
83.04985	4.0
83.08592	0.4
91.05481	1.9
93.07047	1.4
95.04974	1.5
95.08601	0.6
98.20794	0.9
103.05509	0.7
105.03414	0.7
105.07040	1.4
107.04975	0.7
107.08599	0.9
109.06560	0.5
117.07039	1.2
119.08603	1.2
121.06466	0.6
121.10156	0.7
123.04297	0.4
123.08080	0.3
129.07072	0.4
131.04956	1.6
131.08565	0.9
133.06483	0.5
133.10146	1.2
135.08121	0.8
142.07813	0.4
143.08614	0.8
145.06520	0.5
145.10130	0.8
147.08073	1.0
147.11671	0.4
155.08560	0.6
156.09395	0.6
157.10176	1.5
159.08102	1.0
159.11754	0.8
161.09590	0.9
165.09172	1.6
167.08688	0.5
169.10172	1.2
170.10872	0.4
171.08093	1.1
171.11713	1.6
173.09711	0.6
173.13324	0.5
175.07437	0.5
181.10162	0.6
183.11760	1.5
185.09558	0.7
185.13289	1.8
193.10141	0.8
195.11697	0.7
197.09549	0.4
197.13303	0.6
199.11229	0.8
201.12798	0.7
205.10246	0.6
205.12231	0.4
206.10921	0.5
207.10051	0.4
207.11781	1.0
209.09520	0.5
209.13347	0.4
211.11287	0.4
213.12709	1.6
217.08572	0.6
218.10909	0.5
220.12413	0.4
221.13153	0.4
223.11147	0.3
223.14880	0.4
229.12236	0.5
231.11803	0.5
231.13712	0.7
232.12468	0.6
233.13342	0.9
235.11259	0.4
235.14946	0.4
241.12053	0.6
243.11664	0.4
245.15398	0.6
246.14197	0.4
249.12894	0.4
255.13452	0.5
259.13431	0.7
261.16403	1.3
265.15945	0.3
273.14572	2.3
277.13959	0.3
279.17587	0.3
293.15518	0.4
299.12656	1.0
301.14362	1.2
309.11176	0.4
345.13071	0.5
359.14813	0.9
361.16272	3.5
367.19116	0.4
445.19965	0.5
505.21521	2.0
545.24994	0.8
550.09509	0.4
587.26337	1.5
605.27228	100.0
606.27240	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	605.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.2
51.37742	1.9
53.03943	6.3
55.01871	3.7
55.05511	9.9
65.03937	3.4
67.05520	8.2
69.03436	5.1
69.07049	6.0
78.29150	1.4
79.05487	10.8
81.03413	7.2
81.07059	10.5
83.04988	17.8
85.02905	3.6
86.10613	1.8
89.61620	1.8
91.05493	20.8
91.19141	1.7
93.07047	13.7
95.04984	17.7
95.08614	6.9
97.06551	3.5
103.05479	51.2
105.03395	30.9
105.04485	2.7
105.07034	20.6
107.04983	3.5
107.08602	10.7
109.06532	6.7
115.05434	5.8
116.10706	2.7
117.07024	5.7
119.04930	2.4
119.08597	23.6
121.02866	4.2
121.06538	8.9
121.10148	4.6
123.08086	3.1
128.06226	4.5
129.06989	10.4
131.04933	100.0
131.08582	12.9
133.06525	12.1
133.10143	20.3
135.08057	5.1
137.09628	2.2
141.07002	5.0
142.07790	9.1
143.08577	17.1
145.06480	7.5
145.10081	10.4
147.08058	17.5
147.11696	2.2
149.05986	3.3
149.09589	5.3
151.07547	3.4
153.05566	1.7
153.07030	4.5
154.07794	3.5
155.08568	10.7
156.09367	10.6
157.06516	4.0
157.10149	18.6
158.07228	2.4
159.08049	9.1
159.11723	6.6
161.06012	14.3
161.09615	16.0
163.07574	6.2
165.06967	5.3
166.07791	2.5
167.08562	7.4
168.09355	4.0
169.10136	20.2
170.10884	5.0
171.08073	5.2
171.11717	21.7
172.08882	2.1
173.06017	2.6
173.09637	11.7
173.13278	4.3
175.07581	3.4
175.11284	2.4
177.05519	2.8
177.09116	2.3
178.07884	3.1
179.07129	2.9
179.08568	8.6
179.10519	1.8
180.09286	3.5
181.10120	10.2
182.10931	5.2
183.08034	6.5
183.11703	33.1
184.08858	2.5
184.12479	2.4
185.09648	8.9
185.13278	9.0
187.07500	3.1
187.11162	6.0
189.09131	4.6
191.07071	1.9
192.09346	3.6
193.10123	6.6
194.10988	4.2
195.08078	2.7
195.11693	10.1
197.09621	8.5
197.13292	10.2
199.07574	2.7
199.11111	14.5
200.11891	3.0
201.09117	4.9
201.12846	3.3
203.08592	3.1
203.10510	2.5
205.10170	3.1
206.10909	4.8
207.11696	8.8
208.12421	2.6
209.09665	2.8
209.13248	14.0
210.10457	1.8
211.11232	7.4
211.14696	2.8
213.09224	3.3
213.12721	20.1
214.18001	8.1
215.10716	3.1
215.14288	5.0
215.18372	3.8
216.09412	2.6
217.10268	2.6
217.12250	2.7
218.10835	3.0
219.11789	3.0
220.12451	3.7
221.09714	2.5
221.13231	7.4
223.11165	6.2
223.14786	3.9
225.09125	2.0
225.12828	7.9
227.10681	9.8
227.14334	3.7
229.12233	3.8
230.10939	2.8
231.11853	3.1
231.13742	3.2
232.12576	4.7
233.09695	2.3
233.13243	5.4
234.13930	2.2
235.11217	2.9
235.14893	6.4
237.12776	3.8
239.10634	6.5
241.12274	2.5
243.11703	4.1
243.13799	16.6
245.09608	2.3
245.13275	5.0
245.15480	3.2
246.10287	2.2
247.11198	3.8
247.14851	6.2
248.11914	2.8
249.12711	3.6
249.16380	1.9
251.14235	2.4
255.11623	2.6
256.12366	2.9
257.13232	4.8
258.14063	2.1
259.15076	2.8
261.11090	2.7
263.14212	4.8
265.15814	4.0
271.14853	2.6
273.14886	7.4
275.14282	4.1
275.17752	1.9
279.13702	2.2
281.15607	4.2
283.14789	2.8
289.15939	2.3
293.15356	2.3
297.12717	2.7
299.14172	2.3
303.13651	2.9
305.15253	3.0
307.16727	4.5
311.13916	3.3
312.14847	3.2
315.13934	2.1
317.15250	5.3
323.16550	4.3
329.15201	5.2
331.16940	3.4
335.16370	2.6
341.18887	3.9
343.16742	2.7
345.14926	4.0
345.18604	6.2
347.16275	1.9
357.14578	2.6
357.18491	24.6
359.20087	10.7
361.17752	2.4
367.19028	3.1
369.18509	27.5
375.19833	8.0
377.21170	3.5
379.18808	2.3
387.19580	49.7
391.18970	2.0
393.19604	2.0
403.19247	3.1
405.20654	30.1
421.19998	5.8
423.21661	6.2
439.21295	5.4
447.21564	6.7
465.22757	7.7
483.23804	4.3
487.23291	2.1
587.25757	3.6
605.26404	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	605.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.7
53.03939	2.4
55.01864	4.2
55.05511	2.2
60.20213	1.5
67.05509	4.1
69.03425	2.4
69.07066	4.6
70.83199	4.1
79.05524	8.2
81.03413	1.8
81.07053	8.1
83.04986	4.3
84.02145	1.4
91.05479	11.6
93.07061	6.0
95.04971	9.2
95.08613	3.5
97.06556	3.4
103.05476	49.8
105.03387	3.8
105.07040	21.8
107.04959	3.6
107.08621	7.0
109.06546	4.5
111.04429	2.1
115.05455	4.2
117.07018	7.9
119.08607	11.2
121.06505	7.5
121.10125	3.5
123.08096	3.1
125.06006	5.1
128.06215	5.7
129.07008	6.7
130.07779	1.6
131.04933	100.0
131.08594	10.6
133.06485	8.4
133.10130	10.3
135.08051	2.7
141.07031	3.1
142.07762	7.4
143.08577	8.2
145.06494	4.3
145.10106	11.0
147.08057	6.8
147.11705	2.5
149.06006	4.8
149.09630	3.9
151.07565	2.2
153.05391	2.7
153.07016	2.4
154.20955	1.3
155.08594	9.2
156.09351	6.9
157.10129	15.2
158.07300	3.1
159.08075	7.2
159.11690	9.3
160.08929	1.5
161.06017	6.2
161.09647	5.4
163.07564	3.8
165.05605	1.7
165.07001	4.8
166.07764	1.7
167.07243	1.6
167.08551	8.8
168.09322	3.1
169.10155	10.9
170.10930	4.5
171.08080	5.6
171.11710	15.5
172.08914	2.0
173.09673	12.8
173.13246	4.2
175.07558	3.3
175.11229	4.8
177.05545	4.3
177.09070	3.1
179.07037	10.1
179.08598	12.9
180.09320	3.4
181.10107	6.4
182.10930	6.5
183.07996	3.8
183.11690	11.2
184.08777	2.0
185.09650	9.3
185.13258	6.4
186.10161	1.8
187.11205	5.5
189.09116	1.8
189.12787	2.7
191.10669	2.4
192.09271	4.0
193.10149	6.5
194.10922	13.0
195.06543	13.3
195.08063	3.0
195.11671	11.0
196.12567	1.5
197.09631	6.2
197.13298	12.3
198.10371	2.1
199.11163	9.0
199.14842	5.5
200.12076	3.5
201.09195	9.1
201.12791	3.5
203.10513	1.8
205.08548	2.2
205.10318	1.8
206.10858	1.9
207.11674	5.8
208.12537	1.6
209.09811	2.1
209.13258	38.1
210.10454	4.6
211.11153	3.3
212.12018	1.9
213.09167	2.2
213.12798	8.8
215.14275	7.5
217.08582	3.2
217.12187	2.6
221.13297	3.3
223.11205	3.3
223.14926	2.7
225.09088	1.9
225.12755	13.3
227.10846	2.9
227.14328	16.8
231.11752	2.5
231.13777	2.7
233.13251	2.1
234.10315	1.9
235.11179	2.2
235.14865	5.2
237.12782	3.0
239.14532	2.4
243.11626	3.0
243.13843	32.0
245.15297	9.4
246.13884	1.9
247.11148	2.6
249.12766	1.9
251.14307	3.0
255.13913	2.2
256.12390	2.0
257.13406	2.4
261.14932	6.3
272.15250	1.8
281.15588	1.8
305.18649	1.8
309.18460	1.8
321.18347	3.6
331.17062	1.9
339.19559	3.1
343.16910	1.8
347.16446	2.6
357.18170	2.3
361.17715	1.8
375.19482	5.5
377.17380	2.3
385.18011	3.7
387.19635	2.3
391.19003	3.4
393.20715	2.1
403.19128	8.6
409.20004	4.0
421.20190	22.1
439.21030	15.1
457.22498	4.7
587.26245	2.4
605.27319	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.8
55.01867	4.1
55.05499	9.0
56.20653	1.8
67.05502	8.3
69.03445	4.8
69.07066	3.1
70.06223	8.5
70.23518	1.9
79.05485	13.0
81.03405	5.9
81.07065	9.8
83.04988	9.5
83.08625	2.4
85.02907	3.4
91.05489	21.5
93.07050	11.7
95.04969	9.3
95.08609	10.4
97.02867	3.3
97.06515	2.2
98.20901	2.8
103.05477	51.9
105.03387	11.4
105.07037	28.3
107.04938	6.0
107.08599	9.4
109.06508	5.7
109.10134	4.8
115.05449	4.8
117.07026	12.4
119.04918	2.1
119.08587	23.8
121.06496	7.0
121.10116	7.0
123.08041	3.4
128.06200	4.5
129.06996	7.4
130.07877	2.7
131.04933	100.0
131.08582	12.4
133.06508	10.3
133.10147	17.3
135.08063	10.2
135.11717	2.9
136.28812	2.6
141.07042	5.0
142.07755	8.4
143.08556	13.9
145.06496	9.8
145.10120	14.8
147.08055	12.0
147.11711	4.8
149.09598	5.1
153.06978	4.7
155.08574	8.8
156.09358	9.8
157.10149	25.8
159.08064	11.3
159.11714	13.6
161.05977	14.3
161.09641	11.2
163.07571	11.3
165.06995	4.7
165.09151	2.4
167.08505	4.2
169.10193	13.4
170.10931	6.8
171.08049	7.2
171.11671	25.3
172.08824	2.7
173.04541	2.0
173.05963	2.8
173.09624	9.6
173.13245	8.0
175.07553	5.6
175.11314	2.2
177.09123	4.9
179.07053	2.1
179.08615	2.5
179.10684	4.1
180.09219	2.5
180.85530	2.0
181.10138	8.7
183.08084	4.4
183.10225	3.2
183.11713	31.0
185.09598	9.6
185.13278	16.2
187.07544	5.4
187.11185	9.8
187.14719	3.5
189.05446	8.2
189.09117	5.2
189.12840	3.6
191.10594	3.8
193.10229	5.4
194.10928	3.4
195.11731	10.4
196.08887	2.4
197.09601	6.3
197.13278	10.1
199.11162	11.5
200.11954	4.9
201.09030	5.3
201.12740	8.1
202.07704	2.7
203.10651	2.7
204.09367	2.4
205.12267	2.5
207.11702	5.7
208.12358	2.6
209.09636	2.8
209.13220	5.9
210.10475	2.1
211.11168	6.3
211.14813	2.1
213.09044	4.4
213.12743	18.8
215.10677	3.6
217.08620	6.5
217.12160	4.1
218.10834	2.1
219.10034	3.0
219.11859	3.7
219.13708	3.0
221.13181	5.4
222.13737	2.0
223.11148	3.9
223.14803	4.1
224.11612	1.9
225.08994	3.0
225.12685	4.7
227.10643	3.9
229.12166	5.6
230.10907	3.0
231.11815	3.2
231.13847	8.3
232.12454	2.4
233.13376	4.2
234.14108	3.8
235.11230	4.2
235.14940	4.8
237.12727	2.7
239.10641	2.2
241.12201	7.9
243.11818	2.4
243.13931	3.5
244.12477	4.5
245.13385	3.2
246.14009	3.1
247.14873	6.1
249.12738	3.0
249.16524	3.5
257.13437	2.9
258.13812	3.0
259.13025	10.3
261.16531	2.6
263.14240	5.5
263.18079	4.0
271.11203	3.5
271.14459	4.4
275.17819	2.5
277.15869	3.5
279.17279	2.9
283.14758	2.6
285.12762	2.9
285.16315	2.5
287.14090	3.0
289.15689	2.6
291.17252	2.3
301.15244	2.2
303.13641	2.8
305.15515	4.2
307.16895	4.3
317.15247	3.3
319.16818	4.8
324.04031	2.5
331.16980	7.0
333.18411	3.2
335.12628	2.3
335.16452	3.9
337.17807	3.6
339.19220	2.6
343.16849	5.0
345.18478	4.4
347.20187	3.1
349.17966	4.4
357.18234	2.5
359.20190	2.3
361.17838	6.2
361.21866	2.7
363.19400	3.7
369.20602	4.7
373.17923	3.5
375.19464	9.9
377.17093	3.7
379.18668	3.1
385.17990	4.3
387.19507	4.2
391.18839	5.9
393.20547	6.4
403.19098	15.9
405.20605	4.5
409.19803	5.2
411.21564	3.2
421.20215	21.9
423.21640	4.7
437.19516	3.8
439.21292	17.6
457.22253	14.0
465.22568	2.5
469.22650	2.5
487.23102	6.6
523.57013	2.6
587.26086	4.7
605.33118	7.1
619.05475	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.9
51.36430	2.0
53.03941	8.8
55.01859	9.8
55.05513	14.8
57.03431	2.5
67.05506	14.9
69.03422	4.7
69.07060	7.3
69.23090	21.1
77.03967	2.7
79.05489	15.0
81.03413	10.0
81.07054	16.5
83.04987	26.1
85.02911	5.4
89.25905	2.4
91.05486	26.9
93.07034	18.6
95.04967	18.2
95.08594	11.8
97.01931	2.2
97.06544	4.1
97.89011	2.4
103.05472	17.5
105.03394	100.0
105.04518	7.0
105.07035	28.0
107.04953	7.4
107.08601	15.2
109.06532	7.0
109.10179	4.8
111.04441	3.0
115.05441	10.9
117.07015	22.3
119.04942	2.2
119.08582	29.8
121.06499	7.0
121.10162	10.8
121.14323	2.2
123.04465	2.1
123.08063	4.1
128.06232	8.2
129.06998	11.4
129.74084	2.1
131.04924	30.5
131.08566	19.0
133.06503	6.1
133.10110	19.3
135.08063	8.6
135.11737	3.0
137.09622	4.5
141.06956	4.5
142.07799	8.2
143.08568	17.1
145.06523	14.7
145.10129	15.5
147.08055	44.9
147.11707	3.0
149.09612	8.3
151.07532	4.1
155.08575	8.8
156.09340	9.4
157.10129	26.0
158.07301	3.3
159.08075	26.2
159.11737	8.5
161.05916	3.1
161.09633	25.8
163.07547	8.9
165.07056	3.4
166.07845	2.7
167.08592	4.6
169.10155	15.6
170.10924	7.0
171.08089	11.8
171.11681	35.2
173.05998	6.3
173.09596	17.4
173.13301	4.0
175.07535	8.3
175.11279	2.6
177.09138	2.3
179.08536	5.5
179.10690	5.2
180.09332	2.8
181.10091	7.2
183.08144	4.9
183.11716	20.6
184.08821	3.9
185.09631	13.9
185.13257	26.2
187.07504	6.2
187.11211	9.5
191.10645	4.3
193.10175	7.4
194.10938	2.6
195.11697	10.0
197.09644	7.5
197.13324	9.1
198.10457	4.6
199.11218	20.4
200.12022	3.1
201.09108	4.5
201.12773	5.0
203.10631	4.7
203.14291	2.4
205.10268	3.3
207.11736	4.4
209.09650	5.4
209.13322	5.0
211.11107	7.9
213.12740	24.0
215.10732	4.5
217.08528	5.4
217.10350	4.4
217.12210	5.3
218.10838	3.3
219.11850	3.5
219.13748	2.9
220.12506	4.5
221.13284	6.8
223.11209	5.9
223.14827	3.4
225.12698	5.9
227.10612	2.9
229.12262	6.3
230.10841	4.5
231.11722	4.9
231.13765	25.4
232.12468	4.8
233.13283	6.3
235.11143	2.9
235.14854	4.0
237.12740	8.0
239.10579	3.5
239.14262	2.7
241.12306	8.0
243.11679	3.7
245.11722	7.4
245.15474	2.7
246.14163	2.5
247.14972	4.2
249.12589	3.7
249.14798	3.2
251.14447	3.9
257.13248	5.4
258.14005	2.9
259.13251	15.6
261.12646	5.2
261.16614	3.1
262.13492	2.7
263.14294	4.7
263.18103	2.6
269.13312	2.8
271.14941	2.7
272.11868	2.8
273.14893	3.9
275.14194	4.4
277.14188	13.1
277.19501	2.9
279.13776	4.5
281.15472	2.7
283.10892	2.6
285.12646	3.8
287.14270	3.9
291.17450	2.4
297.12567	2.9
298.13211	3.3
299.14255	6.7
299.17615	2.6
301.15723	5.0
303.13809	2.8
305.18912	5.2
309.14951	2.7
312.14935	2.8
313.12381	2.7
315.17331	5.1
317.15384	3.4
319.16522	2.8
323.19925	4.0
325.12265	2.4
327.13934	2.9
327.17429	9.2
328.18076	4.6
329.15207	3.7
333.18503	4.1
341.18958	3.1
343.16760	3.0
345.18680	4.8
349.17804	3.2
351.19699	2.6
353.17535	3.7
359.20010	8.7
361.17804	4.0
369.18478	5.7
375.19681	5.6
377.21005	11.0
387.19589	27.9
389.17584	3.1
395.22089	4.1
405.20633	42.8
423.21628	20.3
447.21695	6.7
465.22754	13.6
483.23773	4.0
487.14990	2.7
569.31238	3.1
587.26416	9.6
605.25513	4.4
605.34009	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	605.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	3.4
51.69205	1.6
53.03945	9.1
55.01873	10.0
55.05506	5.9
58.53867	1.2
65.03951	2.4
67.05508	6.2
69.03424	4.8
69.07069	4.6
70.11765	4.1
71.05007	1.6
77.03948	3.2
79.05490	8.9
81.03429	11.0
81.07063	9.0
83.04985	8.9
85.06551	1.5
87.33694	1.3
91.05486	21.4
93.07048	12.4
95.04979	19.2
95.08621	6.4
97.06536	3.5
98.20870	2.2
103.05466	5.9
105.03400	100.0
105.04527	3.2
105.07041	18.0
107.04974	5.5
107.08583	9.6
109.06518	8.2
109.10140	3.0
111.08078	1.7
115.05478	7.3
116.06239	1.6
117.07012	14.1
118.21647	1.3
118.98280	1.4
119.08598	19.9
121.06474	6.9
121.10141	5.3
123.08063	4.5
128.06242	4.5
129.07024	13.6
131.04945	11.1
131.08583	14.7
133.06497	4.1
133.10133	16.5
135.08057	7.5
135.11661	1.6
137.09653	2.4
141.06952	2.6
142.07771	7.9
143.08565	15.9
144.09390	2.5
145.06509	18.1
145.10155	13.0
146.07135	1.4
147.08052	48.4
147.11649	3.6
149.09633	3.8
153.07022	1.9
154.07787	2.7
155.08607	6.7
156.09361	10.9
157.06497	2.7
157.10156	19.2
158.07364	1.7
159.08070	27.5
159.11685	8.3
161.05939	2.5
161.09633	30.3
163.07552	10.4
165.06973	3.8
165.09192	1.7
166.07913	1.5
167.08578	3.1
168.09367	2.3
169.10155	9.7
170.10883	7.0
171.08072	12.4
171.11691	36.5
172.08727	1.5
172.12111	1.6
173.06009	5.7
173.09636	17.2
173.13266	6.1
175.07584	8.1
175.11205	3.3
177.05482	1.7
177.09132	2.5
179.08524	3.6
179.10687	5.3
180.09285	2.2
181.10080	6.6
183.08015	3.2
183.11716	16.1
185.06133	2.0
185.09622	14.4
185.13245	21.0
187.07600	3.7
187.11229	9.2
189.09109	4.9
189.12819	1.7
191.08690	2.5
191.10571	2.8
192.09325	2.7
193.10167	4.9
195.07990	2.7
195.11745	7.2
197.09636	5.9
197.13283	6.8
198.10350	3.8
199.07556	2.9
199.11162	17.0
200.12013	4.3
201.09152	3.4
201.12761	4.4
203.10670	5.0
203.14345	1.7
206.10893	3.3
207.11723	4.3
208.12558	1.9
209.09644	3.9
209.13269	4.0
211.11252	6.1
213.09204	2.6
213.12741	26.0
215.10661	6.0
216.09392	1.8
217.08580	5.3
217.10362	2.8
217.12274	6.0
218.10896	1.9
219.11865	3.1
220.12547	1.8
221.09700	2.0
221.13254	5.0
223.11182	5.2
223.14731	2.0
225.09166	2.4
225.12793	3.6
227.10690	4.0
229.12299	5.6
230.10924	2.3
231.11754	3.3
231.13788	21.2
232.12476	3.3
233.09645	2.3
233.13391	2.9
234.10399	2.6
234.14073	2.2
235.11211	3.2
235.14940	3.4
237.12714	5.4
239.10654	3.4
239.14401	1.9
241.12157	7.2
243.11731	2.7
245.11516	8.9
246.10429	2.3
247.11157	3.3
247.14886	4.2
248.11891	2.6
249.12724	3.6
249.14905	2.3
251.14369	2.0
256.12424	1.7
258.14035	2.5
259.13257	14.5
261.12790	4.6
262.13614	1.8
263.14200	3.2
265.12341	1.6
265.15887	1.9
271.11160	2.0
272.15628	1.9
273.12448	2.8
273.14996	3.3
274.13406	1.7
275.14285	5.1
275.17624	1.6
276.14923	1.5
277.14124	12.4
279.10583	2.1
279.13901	2.9
284.11899	1.7
285.12726	2.6
286.13528	2.4
287.14316	2.6
288.15125	1.7
289.16003	2.5
291.14194	1.9
293.15482	1.7
297.12643	2.7
297.16119	1.7
298.13538	1.7
299.14212	2.3
301.15833	3.1
302.16660	1.7
303.13779	3.4
305.15625	3.1
305.19064	4.9
307.13434	2.2
309.14975	2.6
312.15143	3.4
313.12485	1.7
313.15894	4.7
315.17334	2.5
317.15475	1.6
317.18903	3.9
319.16837	1.8
323.20154	3.9
326.16528	1.8
327.17505	7.7
328.18100	3.1
329.15454	2.6
329.19046	1.6
331.20355	2.2
333.14911	1.9
341.19077	3.9
343.16895	2.6
345.18582	5.9
347.16428	1.9
349.17749	1.6
357.18750	1.9
359.20001	5.7
361.17926	2.0
363.19510	2.3
369.18622	4.8
375.19568	5.9
377.21152	8.2
381.20422	3.0
387.19577	30.6
393.20084	2.3
405.20660	37.5
423.21707	19.7
447.21521	5.5
465.22781	11.8
483.23703	6.1
527.23639	2.1
587.25806	7.5
605.27588	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	605.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.2
53.03946	10.0
55.01884	10.9
59.36654	2.3
67.05493	2.6
68.95750	2.4
69.03454	4.2
71.04977	2.0
79.05496	5.7
81.03432	7.1
81.07062	4.7
83.04991	3.4
91.05501	17.6
93.07066	6.7
95.04958	9.5
95.08617	3.3
97.06544	2.5
102.79644	2.2
103.05486	4.4
105.03403	100.0
105.04505	4.9
105.07032	16.5
107.04980	4.7
107.08584	8.3
109.06462	3.9
115.05471	5.7
116.06213	2.5
117.07055	10.9
119.08604	19.8
121.06512	3.7
121.10161	5.2
128.06242	5.7
129.06976	10.8
131.08580	16.9
133.10149	17.1
135.08052	5.9
141.06938	3.5
142.07787	8.0
143.08614	11.4
145.06514	13.0
145.10155	11.7
147.08063	47.9
149.09642	4.5
155.08540	4.4
156.09366	9.1
157.10117	19.9
159.08064	24.5
159.11708	5.7
161.09619	25.7
163.07610	5.6
168.09474	2.8
169.10143	8.3
170.10916	6.7
171.08060	8.0
171.11664	24.6
173.06032	5.3
173.09654	12.3
173.13312	3.2
175.07564	6.7
175.11229	3.5
179.08635	2.5
179.10683	4.1
181.10120	5.5
183.11713	9.2
185.09703	12.1
185.13235	15.4
187.11197	8.4
189.09143	4.3
191.10724	3.0
195.11714	4.7
197.09599	4.9
197.13292	4.6
198.10370	2.7
199.11205	13.9
201.09142	3.4
201.12791	3.3
207.11697	3.6
209.09613	4.6
209.13293	3.1
211.11223	5.2
213.12732	18.3
215.10728	2.6
217.08502	5.0
217.10347	4.4
217.12265	4.3
219.11893	2.8
223.11232	3.7
229.12323	3.0
231.10100	3.3
231.13757	19.1
233.13414	3.2
235.75494	2.6
237.12845	3.7
241.12209	7.6
243.11688	4.0
245.11760	8.6
246.10397	2.6
253.58798	2.6
255.73299	2.3
259.13257	13.9
261.12723	3.3
263.14676	2.8
273.12814	4.5
277.14340	9.9
284.11844	3.6
287.14316	4.0
299.14166	3.9
301.16025	3.3
312.15012	4.7
313.15805	4.2
327.17508	9.1
341.18866	4.6
345.18701	5.0
359.20029	4.1
369.18466	4.6
375.19476	4.8
377.21237	5.2
387.19620	25.1
405.20639	31.5
423.21625	13.2
447.21530	4.5
465.22757	10.8
483.23514	5.5
587.26379	7.2
605.27258	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	605.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.9
55.01863	7.4
55.05501	5.4
65.03938	1.7
67.05496	7.2
69.03419	5.5
69.07056	4.6
79.05489	7.0
81.03408	6.8
81.07063	10.4
83.04984	6.8
85.02867	1.8
91.05485	22.0
93.07024	11.6
95.04984	16.2
95.08611	4.5
97.06529	3.6
103.05473	9.7
105.03398	100.0
105.04527	5.6
105.07032	20.7
107.04948	3.6
107.08606	6.5
109.06512	7.9
109.10145	3.7
115.05463	6.9
117.07018	14.9
119.08594	21.5
121.06510	5.9
121.10150	6.9
128.06218	7.1
129.06987	13.3
131.04951	20.6
131.08571	16.6
133.06497	4.9
133.10143	15.9
135.04453	2.0
135.08049	4.9
137.05956	2.0
141.07005	3.9
142.07764	8.5
143.08586	12.7
145.06497	8.7
145.10164	11.5
147.06937	3.0
147.08055	43.1
149.09602	5.1
151.07521	2.0
153.07037	3.3
155.08594	8.5
156.09387	10.6
157.10121	20.1
158.07205	2.5
159.08060	22.7
159.11696	7.0
161.05977	3.0
161.09631	21.5
163.07538	8.1
163.11224	2.1
165.07014	4.1
165.09068	2.4
167.08508	1.9
169.10129	8.2
170.10919	6.0
171.08046	8.4
171.11684	29.2
172.08856	2.3
173.05930	3.7
173.09573	12.9
173.13257	5.4
175.07568	6.3
175.11163	2.8
179.08569	3.1
179.10725	5.1
180.09225	1.8
181.10089	5.4
183.08041	3.9
183.11716	17.1
184.08781	2.9
184.12381	1.7
185.09654	11.7
185.13277	18.3
187.07590	3.7
187.11177	6.2
189.09032	3.3
189.12724	3.3
191.10730	3.7
193.10136	3.5
195.11682	6.7
197.09680	5.0
197.13269	6.5
198.10391	4.2
199.11162	15.0
200.11963	3.2
201.09116	2.9
201.12741	4.3
202.07851	1.8
203.10466	1.7
206.11005	1.7
207.11678	4.0
209.09575	3.2
209.13332	2.9
211.11217	7.6
213.12755	30.1
215.10747	3.7
216.09373	2.0
217.08594	5.4
217.12123	4.0
218.10962	2.2
219.11778	2.9
220.12517	3.2
221.13278	5.1
223.11154	4.5
225.09250	2.4
225.12630	3.0
227.10719	2.1
229.12231	6.2
229.57471	2.9
230.11049	2.8
231.11736	3.9
231.13789	22.8
232.12503	2.8
233.13304	4.4
235.11230	2.3
235.14828	2.3
237.12769	3.6
237.16315	3.3
239.10532	2.3
241.12303	8.7
243.11813	2.5
243.13925	3.6
244.12532	2.2
245.11510	11.7
247.11079	3.2
251.14297	2.4
255.13887	2.5
256.12552	2.3
257.13385	2.5
259.13171	13.2
261.12735	2.5
263.14343	2.8
272.11935	1.9
273.14853	2.0
275.14395	4.4
277.14307	15.1
278.29831	1.8
285.12711	2.3
287.14267	3.9
297.12732	3.5
299.14240	3.2
299.17889	2.2
311.14401	3.1
312.15005	2.9
313.15851	2.5
315.17365	2.1
317.15390	3.0
317.18866	2.2
327.17386	7.0
329.15302	4.3
333.18533	1.8
335.16699	1.9
341.18982	5.4
345.14743	2.3
345.18591	5.1
359.20102	4.4
362.18341	2.1
369.18414	4.1
375.19461	8.3
377.20947	7.3
387.19641	25.0
393.20520	3.5
395.22113	3.8
405.20605	35.7
423.21701	17.6
447.21637	4.2
457.29651	2.1
465.22733	11.5
483.23624	6.5
587.26215	4.9
605.26782	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	605.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	9.0
55.01888	10.2
55.05510	6.7
65.03941	2.4
67.05483	7.3
69.03429	5.3
69.07059	6.0
70.00132	7.5
71.04961	2.9
77.03958	1.8
79.05491	10.9
81.03412	9.3
81.07055	5.9
83.04994	9.3
91.05494	23.5
91.17490	1.7
93.07076	10.5
95.04980	19.9
95.08611	7.4
97.02889	2.2
97.06486	3.0
103.05465	5.2
105.03400	100.0
105.04510	5.4
105.07043	16.9
107.04935	6.6
107.08580	7.7
109.06511	4.9
109.10153	2.8
111.87368	1.7
115.05453	7.4
117.07013	16.0
119.08595	24.1
121.06492	4.3
121.10136	3.6
122.38116	1.9
123.04402	2.1
123.08044	2.5
128.06213	6.7
129.07018	14.2
130.07736	2.5
131.04938	12.7
131.08583	16.7
133.06500	3.1
133.09427	1.6
133.10155	19.2
135.08061	5.4
137.09637	3.7
141.06993	5.8
142.07739	5.9
143.08583	15.7
144.05684	2.2
145.06474	12.9
145.10110	10.8
147.08055	44.8
149.05997	2.0
149.09633	5.1
153.07010	2.1
155.08572	6.2
156.09314	8.9
157.10129	20.0
159.08084	22.8
159.11711	6.1
161.09627	24.4
163.07568	7.9
163.11176	2.0
165.06987	4.9
165.09129	3.2
167.08522	3.7
169.10179	9.4
170.10875	6.7
171.08046	9.2
171.11708	34.6
173.06010	5.2
173.09622	15.3
173.13203	3.6
175.07550	6.3
175.11133	2.7
177.09114	3.3
179.08505	3.1
179.10669	6.0
180.09317	2.1
181.10121	3.6
183.08086	4.3
183.11716	15.3
185.09636	10.8
185.13292	25.0
187.07558	3.3
187.11212	8.6
189.09128	4.4
191.10602	3.7
192.09438	2.1
193.10139	6.0
195.08119	2.4
195.11722	7.3
197.09590	4.6
197.13237	6.4
198.10223	2.2
199.11203	16.1
200.11951	3.6
201.12764	5.6
203.10672	3.2
207.11690	5.6
209.09627	3.8
209.13261	4.2
211.11203	5.6
213.09134	2.9
213.12746	22.2
215.10678	4.5
215.14192	2.5
217.08537	4.4
217.12210	5.2
219.11632	5.5
219.13675	2.8
220.12497	2.5
221.09702	2.3
221.13269	3.1
223.11214	3.8
225.12660	3.3
227.10735	2.5
229.12206	6.1
230.10861	4.0
231.09996	2.1
231.11945	2.1
231.13832	21.7
233.13432	3.7
235.11154	2.6
235.14877	2.8
236.12106	3.0
237.12817	5.0
239.10788	2.5
241.12181	8.5
243.11708	2.8
243.13847	3.9
244.12436	3.7
245.11780	6.8
246.13940	2.5
249.12729	4.7
251.10667	3.2
251.14453	2.7
259.10873	3.3
259.13058	14.0
261.12820	2.4
261.16257	2.5
263.14297	3.1
271.11258	2.6
273.12671	5.7
277.14236	11.7
279.13904	3.5
282.10272	2.5
285.12744	4.1
287.14252	3.4
289.15671	2.9
297.12640	3.7
298.13461	3.5
299.14383	3.4
299.18008	2.2
301.15829	3.0
303.13968	1.8
312.15094	3.2
313.15961	4.2
314.16577	2.1
315.17456	3.2
317.18900	5.2
327.17471	6.1
328.18298	2.3
329.15201	2.2
331.16718	3.0
331.20511	2.7
339.13773	2.5
341.18851	4.4
345.18576	4.5
347.16327	3.3
351.19458	2.3
359.20065	7.4
361.18039	2.6
363.19836	3.5
369.18433	6.1
375.19495	6.3
377.21048	8.1
379.26141	2.4
387.19489	23.6
393.20535	2.5
405.20667	35.4
423.21640	18.5
447.21545	3.6
465.22760	14.9
483.24005	9.3
509.23199	2.8
510.44794	2.0
527.25299	1.9
538.16748	2.1
587.25964	5.8
602.50183	1.9
605.26385	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	605.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09682	2.9
53.03935	9.7
55.01863	5.8
55.05499	10.1
58.02497	3.5
61.60310	3.5
65.03960	4.6
67.05492	13.6
69.03422	12.6
69.07061	6.2
69.77135	2.9
70.06588	8.0
71.55402	5.1
79.05497	23.0
81.03410	8.1
81.07053	20.7
83.04962	6.6
84.08154	45.0
85.02918	12.9
85.06516	4.2
86.09705	4.2
91.05483	29.7
93.07054	25.4
95.04962	14.7
95.08625	16.8
97.02896	7.1
97.06519	8.7
99.04475	4.7
103.05485	6.2
105.07038	44.7
107.04971	4.4
107.08591	15.0
109.06517	11.0
109.10158	7.7
111.04425	4.9
115.05454	7.2
117.07022	14.2
119.04926	7.3
119.08588	34.8
121.06488	14.8
121.10151	13.2
123.04440	3.9
123.08089	4.9
123.11738	6.3
125.05994	6.1
128.06261	6.8
129.06985	16.6
130.08633	4.3
131.04951	6.2
131.08575	31.4
133.06490	21.2
133.10144	15.5
134.09549	3.5
135.08086	8.5
137.05939	7.6
137.09601	6.6
140.07057	4.9
141.06976	6.8
142.07787	6.6
143.08566	39.2
145.06491	14.0
145.10133	28.5
147.08037	14.6
147.11714	6.8
149.06013	4.2
149.09618	12.6
151.07568	8.0
153.07024	4.9
154.07722	5.1
155.08560	14.0
156.09358	12.3
157.10161	26.2
159.08031	23.2
159.11736	10.8
161.06042	21.0
161.09633	21.8
161.13260	4.4
163.07564	10.1
163.11174	6.4
165.06969	3.7
165.09048	6.4
167.07216	4.1
167.08556	8.7
168.06560	9.6
168.09366	9.5
169.06815	3.9
169.10143	23.3
171.08040	9.7
171.11720	28.9
172.08885	4.4
173.05998	5.3
173.09604	18.9
173.13268	13.7
175.07558	6.7
175.11247	4.2
177.05476	6.5
179.07021	17.8
179.08588	9.3
180.12973	3.7
181.05075	4.1
181.10112	14.1
183.08131	9.4
183.11707	30.5
184.01733	3.2
184.08757	4.6
185.09641	15.5
185.13161	4.7
187.07535	11.5
187.11195	11.1
189.05421	4.7
189.09100	11.0
191.10695	4.9
193.10190	18.5
195.11739	18.5
196.08867	4.2
197.09628	14.6
197.13266	4.4
199.07590	4.1
199.11227	41.7
201.09106	7.8
201.12773	18.4
203.10626	6.3
205.08591	13.2
206.11020	6.0
207.11801	8.1
209.09698	6.9
209.13312	9.7
211.11179	30.6
211.14864	5.2
213.08995	9.6
213.12703	6.6
215.10556	7.2
216.09277	4.4
217.08508	7.6
217.10349	5.3
218.10837	5.2
219.11734	6.7
221.09760	6.2
221.13297	6.1
223.11172	5.2
223.14819	4.3
225.09105	5.4
225.12804	7.1
227.10693	14.3
227.14392	3.9
229.10234	3.8
229.12247	33.1
231.13808	6.5
232.12506	4.2
233.13205	8.1
235.11290	5.0
235.14882	7.7
237.12817	5.9
239.10637	20.2
239.14333	4.7
241.12187	4.6
243.13782	5.9
249.12959	4.9
253.12450	5.6
255.13840	5.2
257.11545	6.1
259.13223	24.2
262.58777	3.6
265.15796	4.2
285.12329	5.8
289.14331	100.0
293.18677	3.6
301.12479	4.4
303.13330	4.9
305.15268	5.1
307.15778	3.6
315.17160	4.3
319.16916	4.1
329.15359	4.6
333.14609	3.9
333.18332	7.1
343.16928	8.6
347.16476	11.9
349.17871	6.3
359.16364	11.0
361.17938	10.4
365.17599	4.4
371.16867	4.6
377.17465	17.0
379.19046	12.4
389.17377	22.7
407.18542	41.4
409.18677	24.8
417.16986	12.5
419.17957	4.7
421.20038	10.7
425.19534	15.8
425.33655	11.0
435.18069	4.5
439.20901	7.6
449.19714	26.5
453.19397	4.9
467.20691	69.1
485.22006	23.2
495.19815	5.6
527.22662	15.5
545.23633	7.0
569.23663	5.4
587.24921	22.2
605.25311	10.9
605.34033	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	605.2578
Annotation	Cineracipadesin B
Peak:m/z	Relative Intensity
51.02378	4.3
53.03939	6.1
55.01884	8.0
55.05512	28.8
55.63740	4.3
57.54824	4.5
64.35348	4.5
67.05499	20.6
69.03415	10.1
69.07066	10.6
71.05015	6.1
79.05505	24.1
81.03408	14.0
81.07069	28.7
83.04979	29.4
91.05488	39.4
93.07050	18.9
95.04983	37.1
95.08614	12.4
97.06548	9.0
103.05469	31.8
104.05824	5.6
105.03394	33.9
105.07037	56.7
107.04964	10.4
107.08613	16.8
109.02914	6.7
109.06535	11.3
109.10165	7.0
115.05463	14.2
117.07037	30.0
117.63786	5.5
119.04945	5.2
119.08594	76.8
121.06524	10.0
121.10133	10.9
125.02371	6.6
125.06044	5.2
128.06230	9.2
129.07004	18.3
131.04935	62.0
131.08603	33.2
132.05289	8.9
133.06500	32.3
133.10141	23.8
135.04401	6.0
135.08057	22.0
141.07051	7.1
141.25543	5.1
142.07785	14.1
143.08582	30.5
145.06470	13.3
145.10126	22.9
147.08063	20.7
147.11673	7.9
149.09608	18.6
151.07458	5.3
153.06888	6.2
155.08575	20.6
156.09346	18.7
157.06598	5.9
157.10147	71.1
159.08064	29.7
159.11717	46.3
161.05997	31.5
161.09627	15.7
163.07571	12.8
165.07018	7.6
167.08578	10.1
168.09348	10.6
169.10107	41.2
170.10909	6.4
171.08113	8.7
171.11684	54.5
173.05948	9.5
173.09674	21.2
173.13264	14.7
175.07608	9.8
175.11272	7.0
177.09074	7.7
179.07054	9.3
179.08569	16.1
180.09325	6.2
181.10143	9.3
183.08116	13.7
183.11700	100.0
184.08623	5.5
184.12215	6.9
185.09634	28.4
185.13254	28.9
187.11211	21.0
189.05496	8.7
191.10631	6.9
193.08578	6.6
193.10167	13.2
194.10928	5.3
195.11707	27.4
197.09676	14.8
197.13243	22.6
199.07561	7.6
199.11198	21.5
201.12779	26.0
203.07059	9.7
204.09235	7.1
205.08522	7.7
205.10245	6.9
205.12164	7.0
206.10915	9.7
207.11723	25.1
208.12459	6.0
209.09654	12.1
209.13258	16.3
211.11349	23.9
211.13004	5.3
213.09181	10.7
213.12804	29.8
215.10678	10.7
217.10196	7.1
217.12123	7.9
218.10933	7.6
219.11778	14.3
220.12540	12.0
221.13232	16.7
222.10387	5.9
222.13806	5.0
223.11218	11.3
223.14851	5.8
227.10788	6.7
229.10295	7.6
229.12274	20.9
231.11765	12.8
231.13814	11.6
232.12561	8.7
233.13237	12.9
233.15359	12.2
234.14003	5.8
235.11334	8.8
235.14851	9.9
237.12770	9.5
239.10603	8.0
241.12267	7.9
243.11844	10.3
243.13843	20.5
245.09601	6.9
245.13368	12.0
245.15500	10.1
246.14049	15.0
247.11232	8.3
247.14909	10.0
249.12778	10.4
255.11705	7.9
255.13998	12.0
258.14175	8.7
258.67041	5.2
259.14905	9.2
261.14813	9.8
263.14392	6.2
267.11557	7.9
269.13376	7.7
270.14029	6.5
270.66614	4.7
271.14853	9.7
272.11972	8.3
272.15659	8.0
273.15021	9.1
275.14597	5.2
277.12225	5.1
277.15808	6.3
283.14655	8.5
285.12878	8.8
285.16473	8.2
287.14328	6.4
287.17850	12.1
289.15878	6.6
293.15424	8.2
299.17780	6.5
300.14978	5.8
301.12219	6.3
301.15799	13.2
303.13681	7.2
313.12350	5.6
313.15991	6.0
315.13672	7.8
315.17242	12.2
317.15094	5.7
319.16904	13.9
323.16446	5.4
327.17334	6.6
329.15390	33.2
331.13153	6.3
331.17230	7.6
337.18182	6.9
343.16885	36.0
345.14798	6.3
345.18573	6.5
347.16504	30.8
357.14499	5.4
357.18549	7.3
359.20316	5.5
361.17978	44.0
365.17456	11.8
371.16318	26.6
375.19443	9.6
379.19257	12.0
387.19550	13.8
389.17502	43.2
393.20865	6.4
403.19199	26.1
405.20639	9.5
407.18777	22.6
417.16916	9.5
421.20090	47.6
423.21729	7.5
435.18091	6.3
439.21158	39.8
449.19748	13.6
457.22028	11.2
465.22388	6.4
467.20599	17.8
483.23779	5.1
485.21860	8.8
527.23145	5.3
541.73694	5.3
561.30408	8.6
605.28827	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	605.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	0.4
51.02377	0.7
53.03949	1.6
55.01872	0.9
55.05518	0.9
57.03431	0.3
67.05512	0.7
69.03436	0.7
69.07072	0.5
69.45599	1.5
69.46017	0.8
77.03939	0.9
77.58091	0.3
79.05499	2.2
81.03413	1.1
81.07071	1.5
83.03685	0.3
83.04985	1.1
85.38572	0.3
91.05503	2.0
93.07052	1.6
95.04964	3.3
95.08614	1.0
97.06536	0.6
98.21503	0.6
103.05475	43.9
103.90602	0.3
105.03390	2.2
105.04554	0.5
105.07034	5.7
107.04961	0.6
107.08598	1.3
108.12191	0.3
109.06533	1.1
109.10163	0.6
111.08031	0.3
115.05484	1.2
117.07014	1.2
119.08588	2.3
121.06487	1.0
121.10131	0.7
122.46106	0.4
123.04441	0.4
125.06054	0.3
128.06261	1.1
129.07030	1.5
130.04953	0.4
131.04935	100.0
131.08563	2.0
132.05309	0.7
133.06502	4.1
133.10158	2.3
135.08043	0.6
141.06992	0.8
142.07808	1.1
143.08566	1.8
145.06497	1.4
145.10126	2.0
147.04440	0.4
147.08049	1.4
149.05951	0.8
149.09647	0.7
151.07553	0.5
153.05386	0.5
154.07747	0.4
155.08551	1.3
156.09338	1.3
157.06487	0.8
157.10110	2.2
158.07278	0.6
159.08031	1.9
159.11714	1.5
161.05989	19.0
161.09647	1.0
163.07558	1.4
165.06990	0.4
167.08572	0.5
169.06546	0.5
169.10172	2.0
170.10954	0.4
171.08025	1.1
171.11690	2.9
172.08769	0.4
173.06010	0.6
173.09639	2.0
173.13264	0.6
175.07581	0.7
175.11064	0.5
177.05414	0.7
177.09142	0.4
179.07054	0.8
179.08545	0.9
179.10661	0.4
181.10117	0.8
183.08025	0.4
183.11732	2.3
184.08820	0.9
184.12329	0.4
185.09627	1.3
185.13203	1.5
187.07549	0.9
187.11198	1.1
189.05344	0.6
189.09091	0.8
189.12917	0.4
192.14522	0.4
193.10103	0.9
194.10934	0.4
195.11734	1.1
197.09607	0.9
197.13329	0.7
199.07486	0.6
199.11163	2.4
200.11832	0.4
201.09129	1.3
201.12759	0.8
205.10217	0.5
207.11717	1.0
208.12398	0.6
209.09601	0.6
209.13281	1.3
211.11206	0.8
213.09122	0.7
213.12733	1.5
215.06985	2.6
215.10469	0.6
217.08566	1.0
217.12178	0.5
220.08923	0.3
220.12456	0.5
221.13309	1.1
223.11339	0.5
225.09225	0.7
225.12622	0.5
227.10709	0.6
227.14322	0.5
229.08395	0.4
229.10355	0.4
229.12263	0.5
230.10915	0.4
231.11705	0.8
231.13824	0.8
233.13286	0.7
237.12856	0.5
239.14270	0.4
241.12250	0.6
243.13762	1.0
245.13281	0.7
247.14786	0.8
249.12621	0.4
249.16483	0.4
251.14340	0.4
253.12273	0.4
254.36491	0.4
255.11685	0.4
256.12332	0.4
257.13318	0.4
258.14294	0.4
259.09628	0.6
261.10941	1.6
261.15848	0.4
265.15942	0.5
271.14728	0.3
273.12750	0.3
273.16232	0.3
275.14249	0.4
277.10580	1.7
279.12302	1.1
283.14700	0.5
291.13821	0.5
293.15363	0.5
299.12793	0.4
300.14856	0.4
303.14020	0.4
315.17551	0.4
317.15115	0.4
329.11691	0.3
329.15292	0.4
331.16757	0.6
333.14713	0.4
335.16388	0.5
339.19321	0.4
343.16812	0.6
345.14789	0.5
347.16409	0.7
357.18268	0.7
359.20105	0.5
361.17764	0.8
363.14865	0.6
375.15582	0.5
375.19507	0.8
377.13702	0.4
387.19385	0.9
391.14932	0.5
393.16483	0.4
393.20871	0.4
400.17010	0.4
403.14670	0.5
403.19247	0.7
405.20398	0.6
409.15933	0.6
421.15820	1.0
421.20248	1.3
431.18671	0.3
439.16919	3.8
455.17014	0.6
457.18039	1.2
473.18002	3.0
550.04132	0.3
569.21619	0.8
587.22131	2.0
605.24274	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80954	1.0
55.05496	4.6
63.39178	1.2
67.05515	5.9
69.07065	1.8
69.24973	1.2
69.43644	9.0
71.04975	2.0
79.05495	10.9
81.07062	36.4
83.04963	2.2
83.08615	1.5
85.06539	2.5
91.04987	1.1
91.05466	8.1
92.13415	1.2
93.07058	8.9
95.04984	2.2
95.08594	7.2
96.37674	1.2
97.06535	2.0
97.10130	1.2
99.08072	2.1
103.05460	1.5
105.03391	2.6
105.07037	12.1
107.08600	12.5
109.06518	17.8
109.10148	7.5
111.08076	2.0
117.07018	3.8
119.07803	1.6
119.08581	17.6
121.06461	2.0
121.10149	6.4
123.08031	5.5
123.11703	3.8
125.09674	1.4
129.06992	3.0
130.07825	1.3
131.08578	7.6
133.10124	7.3
135.08112	3.7
135.11674	3.2
137.09616	4.4
141.07077	1.6
142.07745	2.4
143.08540	7.0
145.10124	11.0
147.08044	2.8
147.11687	6.7
149.09619	7.4
151.11220	1.5
155.08545	3.4
157.10115	14.2
158.10779	1.3
159.08089	1.3
159.11702	13.9
161.09589	3.5
161.13295	3.0
163.11200	4.0
167.08549	1.7
169.10118	6.5
170.10802	1.6
171.07985	1.6
171.11708	10.3
173.00241	1.2
173.09613	4.8
173.13232	5.1
175.11154	4.0
175.14816	1.5
177.12830	1.9
181.10110	2.7
183.11685	7.7
185.13274	9.1
187.11191	2.5
187.14801	5.0
189.12778	4.2
191.14322	2.0
193.10141	1.5
195.11710	2.8
197.13278	5.9
199.11134	4.0
199.14798	5.1
201.12804	5.9
201.16386	1.8
203.14302	5.6
207.11783	2.6
209.13242	4.3
211.11064	1.5
211.14838	6.2
213.12802	2.2
213.16371	1.5
215.14305	4.2
220.12451	1.5
221.13191	2.2
223.14673	1.9
225.12746	4.2
225.16409	2.5
227.14452	1.9
227.17952	22.8
229.15967	2.0
235.14864	1.5
237.16364	1.6
239.14276	1.3
241.15796	2.5
243.17371	2.3
244.18294	2.8
245.15346	1.5
245.18991	9.4
261.16055	1.4
267.17276	2.6
269.18915	6.2
279.17435	2.1
287.20050	13.4
291.17636	1.5
307.20563	1.9
309.18808	1.4
309.22122	4.0
325.21594	1.3
327.23184	3.8
333.22095	1.3
335.23645	3.9
349.25296	3.2
351.22986	3.6
353.24612	2.3
359.23666	1.5
367.26309	2.4
377.24823	9.1
395.25821	22.5
437.26666	3.5
449.30453	5.8
455.27963	100.0
467.31778	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	604.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.8
55.01870	2.9
55.05516	12.5
57.03430	3.5
57.07069	3.1
63.96423	1.0
65.03945	2.7
67.05509	32.4
67.66991	1.2
69.03442	16.2
69.07068	9.8
70.02785	2.8
70.03187	2.2
71.04999	3.0
72.08166	6.2
74.09725	100.0
79.05496	27.9
81.03426	27.5
81.07064	31.9
83.05003	5.3
83.08619	5.9
85.02916	9.0
85.06532	1.7
87.04472	1.3
91.04976	1.9
91.05492	25.0
93.06480	1.8
93.07053	35.2
95.04994	6.8
95.08622	24.9
97.02906	12.7
97.06532	3.8
97.10153	2.6
98.20844	2.0
99.04452	3.5
99.08096	1.5
103.03938	2.2
103.05428	1.3
105.04515	1.1
105.06403	1.5
105.07047	20.3
107.04970	2.5
107.08602	17.3
109.02873	7.2
109.06500	4.6
109.10172	12.4
111.04429	4.7
111.08081	2.5
115.05431	1.6
117.07030	9.2
119.04929	10.2
119.08583	16.4
121.06495	2.9
121.10155	17.6
123.04446	1.6
123.11687	4.6
125.09635	1.8
127.03932	5.9
128.06194	1.5
129.05479	1.8
129.07013	4.9
131.04915	1.9
131.08585	15.7
133.06487	2.7
133.10170	12.5
135.08049	4.0
135.11705	10.7
137.05968	2.0
137.09605	2.4
137.13234	2.3
141.07039	1.4
143.08594	6.0
145.06442	2.4
145.10162	12.7
147.04428	45.2
147.08081	2.5
147.11671	9.7
149.09618	2.4
149.13240	5.3
151.07547	2.0
151.11185	1.6
153.09116	1.3
155.08598	4.0
157.10123	4.9
159.08044	2.4
159.11714	12.0
161.09607	2.6
161.13341	5.7
163.11165	2.1
163.14845	2.5
165.05510	2.8
167.08565	2.0
169.10130	4.4
171.07991	1.4
171.11714	5.8
173.09679	1.4
173.13278	7.0
175.11198	2.2
175.14774	1.9
177.09097	1.9
177.12735	1.8
178.54823	1.2
181.10175	2.0
183.11693	3.0
185.09631	1.6
185.13263	5.1
187.11209	1.9
187.14777	3.6
189.12724	1.5
195.11751	2.3
197.13223	2.8
199.14832	2.4
201.12665	1.3
201.16386	1.5
209.13364	1.9
213.12590	1.8
215.14493	1.3
225.16486	1.4
227.14250	1.3
235.13298	1.7
243.20958	1.4
259.20453	3.4
261.22153	6.8
267.20715	1.3
271.17001	1.1
273.22116	1.3
277.14410	1.8
277.21533	3.8
285.22006	1.7
289.18463	1.3
289.21649	3.6
291.23224	2.6
301.21649	3.3
303.23215	6.2
315.23193	4.3
317.24847	1.5
319.22571	2.0
327.23224	3.5
341.24738	3.6
345.24258	1.8
351.23206	6.2
359.25861	1.5
369.24207	17.3
387.25290	18.1
399.28699	1.7
405.26437	15.1
423.27191	3.1
604.22528	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	604.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81647	0.3
55.05513	3.1
59.04995	1.0
66.67833	0.3
69.03433	1.2
69.07076	2.0
70.06592	0.7
71.04989	0.4
72.08165	0.5
74.09705	0.4
79.05476	0.7
81.03439	1.7
81.07041	0.6
82.06585	1.7
83.04991	2.5
83.80681	0.4
85.02913	1.2
85.06562	0.6
86.06073	100.0
89.01567	0.4
93.07066	0.7
96.08141	0.4
97.02916	2.2
98.06139	0.5
98.09689	0.4
99.04483	1.1
100.07630	0.9
101.06026	6.2
105.07048	0.5
109.02898	2.2
110.06059	1.1
111.04442	7.6
113.05996	0.6
115.07608	0.4
116.07122	0.8
126.09165	0.5
127.03932	3.9
129.05486	7.1
136.07639	0.4
137.06052	0.4
140.10693	3.3
145.04865	0.4
147.06522	3.1
154.08650	13.0
158.11760	5.1
161.05925	0.4
172.09695	1.8
200.12929	1.5
228.15982	0.7
255.08701	1.0
273.09677	5.2
273.12280	0.5
287.73651	0.4
291.10791	2.2
298.12991	1.2
316.14008	3.1
334.14941	2.3
420.13040	0.6
420.18655	9.3
462.19736	3.6
544.99255	0.5
586.23053	0.4
596.61340	0.4
604.29187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
55.01875	3.1
55.05517	39.3
57.03437	5.1
57.07086	9.4
57.07327	1.8
67.05509	89.5
69.03439	2.1
69.07072	40.3
71.04990	5.8
71.08631	3.5
71.55712	1.6
74.95184	1.2
77.03918	3.2
79.05495	59.0
81.03436	4.1
81.07061	100.0
83.05006	4.2
83.08140	2.7
83.08624	33.7
85.06540	3.4
91.04913	1.9
91.05482	60.2
93.07053	70.4
94.07406	1.5
95.04972	9.9
95.08612	80.7
97.06535	12.4
97.10176	19.5
99.08109	2.0
103.05464	2.0
104.46186	1.2
105.04532	2.4
105.07037	52.1
106.07365	1.3
107.05004	2.2
107.08598	38.9
109.06561	3.9
109.10169	30.9
111.08083	23.0
111.11742	5.5
115.05443	2.3
117.07028	20.8
119.08592	43.8
120.08932	2.0
121.06551	2.6
121.10151	36.0
123.08121	4.0
123.11706	10.8
125.09651	1.9
128.06210	3.1
129.07010	13.0
131.08577	41.9
133.10139	29.1
133.11086	2.0
135.04578	1.5
135.08084	2.1
135.11710	24.8
137.09644	5.6
137.13290	3.1
141.07018	3.6
142.07855	1.6
143.08618	11.0
145.10121	36.8
147.08069	4.6
147.11697	18.4
149.09694	3.1
149.13284	6.9
151.11214	2.1
151.14882	1.4
155.08524	6.3
157.10146	13.8
159.11694	16.1
161.13274	8.9
163.11171	2.0
163.14832	3.0
165.09184	2.3
166.09479	2.1
169.10162	7.0
171.11739	11.3
173.13219	7.1
175.14902	3.5
181.10182	2.8
183.11771	4.9
185.13322	6.8
187.14871	2.4
189.89340	1.5
195.11726	2.3
197.13307	3.6
199.14952	3.3
203.14427	1.8
204.14700	1.6
217.19511	3.7
221.15445	5.6
222.15800	4.9
235.17035	2.0
235.20525	2.7
241.19698	3.0
259.20557	11.9
260.43924	1.6
275.20370	2.4
277.21802	3.0
285.22232	2.0
285.74753	1.3
293.20981	1.5
293.24738	1.4
311.26120	2.2
315.23270	1.9
325.23621	2.0
327.25284	14.9
330.72992	1.3
333.24261	17.0
381.31970	2.1
385.55365	1.3
447.36221	1.5
465.36841	1.9
467.39099	2.2
475.39557	4.6
485.39740	1.6
491.37518	3.2
493.40509	24.1
505.39026	5.6
511.41663	11.4
529.42712	6.7
549.42822	1.6
559.43628	5.9
567.44415	10.1
573.45776	3.4
585.45178	78.5
603.46167	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.05515	28.4
57.07072	8.2
67.05508	85.7
69.03015	1.5
69.06731	2.3
69.07073	39.1
71.04982	1.6
71.08637	2.5
79.05499	39.8
81.07060	82.9
83.04965	3.4
83.08625	26.3
85.06561	1.8
85.10201	2.1
89.34397	1.7
91.04967	3.0
91.05486	36.5
93.07046	46.6
95.04988	3.4
95.08611	76.0
97.06536	6.5
97.10177	19.8
99.08076	2.4
105.07030	20.2
107.08604	23.8
109.10156	27.4
111.08065	3.8
111.11703	5.5
115.43271	1.5
117.07026	10.1
119.08593	16.8
121.10145	49.7
123.07993	2.3
123.11713	8.8
125.09657	2.3
125.13203	2.9
129.07045	3.5
131.08577	11.2
133.10144	18.7
133.58246	1.8
135.08136	1.6
135.11700	29.8
137.13258	2.5
139.11201	3.1
143.08577	3.8
145.10118	10.4
147.11705	12.5
149.13281	8.5
151.11279	1.9
153.12750	2.0
157.10051	2.2
159.11694	6.4
161.13268	7.0
163.11218	2.9
163.14882	2.1
165.12738	2.9
171.11765	3.6
173.13280	4.2
175.14844	3.6
176.45418	1.8
177.12807	2.7
179.14378	2.5
185.13229	1.9
195.13763	2.3
205.19624	2.4
210.76154	1.9
217.19559	3.7
235.20593	3.7
241.19601	3.1
253.21474	1.7
259.20557	19.4
277.21539	14.0
287.22250	2.7
311.25751	4.3
313.27621	1.8
315.23251	5.1
325.23898	7.0
327.25333	21.0
333.24268	20.9
349.23920	1.9
493.40872	3.2
505.38815	6.0
521.38666	2.1
529.42419	3.4
585.45105	25.6
603.46204	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14005	1.4
53.03949	3.5
55.01864	4.4
55.05511	38.9
57.03442	8.6
57.07077	37.2
63.66910	1.6
65.03938	4.4
67.05508	41.8
69.03436	2.5
69.07069	22.7
71.05000	3.1
71.08631	23.0
77.25792	1.3
78.83298	1.3
79.05491	34.7
81.07060	44.3
83.04978	4.3
83.08620	17.1
85.06545	2.0
85.10184	13.2
91.05482	75.0
92.45453	1.3
93.07047	28.7
95.04971	6.0
95.08609	45.1
97.06525	5.5
97.10165	12.9
99.08076	2.0
103.05478	3.1
103.07533	1.6
105.04552	1.7
105.07029	57.9
107.04963	4.7
107.08590	15.7
109.06519	5.2
109.10143	10.8
111.08076	2.0
111.11753	2.2
115.05443	10.2
116.06248	6.2
117.07025	42.0
117.32211	1.5
119.04902	2.6
119.08585	28.9
121.06536	4.1
121.10123	7.3
123.08060	5.1
123.11667	3.0
125.09619	4.3
128.06232	27.1
129.07011	28.3
130.07800	12.9
131.08572	88.4
133.06500	6.3
133.10144	16.6
135.08054	4.3
135.11696	4.4
137.09537	2.0
139.11182	3.5
141.07011	12.1
142.07755	7.5
143.08565	100.0
144.09323	3.5
145.06500	1.8
145.10126	95.5
147.08008	8.2
147.11679	6.8
149.09654	5.8
149.13275	2.5
154.07726	2.9
155.06026	2.1
155.08560	10.7
156.09360	1.6
157.10138	24.7
159.08086	4.7
159.11690	18.8
161.09625	12.1
163.11191	5.0
165.07018	1.6
166.07796	1.9
167.08575	6.1
169.10130	19.1
171.08008	2.0
171.11690	19.4
173.09671	2.5
173.13312	3.1
175.11203	5.3
177.12807	3.3
180.09406	2.4
181.10101	12.6
183.11755	10.9
185.13260	6.8
193.10219	2.4
195.11725	22.5
199.11150	3.6
199.14844	1.8
201.12695	1.9
203.12639	1.4
209.13359	3.2
210.13562	1.5
211.14806	4.2
213.12770	4.2
213.16359	1.4
222.14053	1.7
227.17970	5.6
237.16389	26.9
239.23666	4.4
241.14348	4.3
245.19052	4.2
255.17393	21.5
257.24857	2.6
261.88370	1.4
270.69623	1.4
273.18497	65.5
291.19467	3.5
313.27371	95.7
329.21225	7.3
329.52075	1.6
347.22177	36.0
505.38718	1.8
585.45105	31.9
603.45685	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	603.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
69.07056	2.6
70.05653	2.3
76.71735	0.6
79.05501	3.4
81.07071	5.0
81.36277	0.7
83.08614	1.2
90.21366	0.7
91.05472	2.6
93.07043	4.9
95.04986	1.1
95.08606	2.7
98.21465	1.0
103.05537	0.8
105.07037	3.4
107.08605	2.6
109.10160	1.3
113.38574	0.7
117.07001	1.6
119.08591	1.9
121.10143	1.9
123.11642	0.9
131.04941	1.4
131.08559	1.7
133.10162	1.6
135.11671	1.0
145.10118	1.3
147.08086	0.9
147.11731	1.3
155.08563	0.9
157.10158	1.1
159.08112	0.8
159.11775	0.9
165.82835	0.6
171.11665	1.0
249.14970	0.6
251.12552	3.4
269.13599	6.4
279.65411	0.7
307.15283	1.7
325.16174	3.2
335.25809	1.5
505.38599	1.4
585.37695	4.1
585.45844	1.1
603.38660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.7
55.05501	7.1
56.98155	4.3
57.07069	6.3
58.02523	3.1
58.50309	3.9
67.05505	15.8
69.03447	4.9
69.07066	9.6
69.31066	33.7
71.04997	5.4
79.05495	10.0
81.03426	24.5
81.07049	20.1
83.04979	5.3
83.08609	4.5
91.05495	16.1
93.07045	19.6
95.04971	18.4
95.08591	13.3
103.05464	37.3
104.07525	3.7
105.07043	21.3
107.04977	10.1
107.08598	17.9
109.06536	9.6
109.10179	7.7
111.08079	9.5
117.06988	7.5
119.08606	25.0
121.06530	6.9
121.10139	10.9
129.07036	8.9
131.04933	80.8
131.08591	16.6
133.10132	16.4
142.07860	7.9
143.08574	10.9
145.10130	16.5
147.08089	14.5
147.11668	6.5
151.07779	4.0
155.08522	5.5
156.32634	4.0
157.10149	22.6
159.08083	9.3
159.11694	15.1
161.09644	28.9
163.11203	3.9
165.07088	6.8
169.10107	10.5
171.11732	25.2
173.09691	21.5
173.13255	17.6
175.11183	11.9
180.09393	5.2
181.10161	14.8
183.11694	67.9
185.09796	4.7
185.13264	14.5
187.11226	5.2
187.14880	16.6
189.12828	5.2
193.10211	8.6
194.10872	9.9
195.11755	14.2
197.13286	35.8
199.11284	5.8
199.14801	12.4
201.12764	30.9
207.11720	5.7
208.12497	5.8
209.13281	16.4
211.14818	6.4
215.14296	12.2
221.13316	4.5
222.13983	4.5
223.14890	9.8
233.13205	4.1
235.14891	4.9
237.16350	14.7
249.16504	5.1
265.19409	8.0
267.17487	13.1
275.14551	4.6
291.17380	8.5
349.25272	13.4
359.23730	80.7
361.16196	5.0
367.26077	4.7
377.24786	100.0
395.25815	18.1
417.94473	4.6
507.28729	4.7
603.22479	4.3
603.39020	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	603.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	3.6
53.03941	15.1
55.01864	10.9
55.05297	3.4
55.05513	32.8
57.03429	10.9
57.07076	5.3
58.77389	3.3
61.44698	3.3
64.06757	3.1
67.05509	43.5
69.03433	52.7
69.07070	18.5
70.06622	3.2
70.62589	4.0
71.01357	4.2
71.04984	7.7
71.56562	3.8
79.05490	45.7
81.03054	3.5
81.03424	36.9
81.07057	48.2
83.04984	23.0
83.08602	14.2
85.02917	34.6
85.06526	7.8
87.04491	6.3
91.05484	59.4
93.07040	43.6
95.01345	4.5
95.04968	45.3
95.08605	36.1
97.02269	3.1
97.02891	12.4
97.06547	25.4
97.10143	11.5
99.04426	8.5
99.08107	4.9
103.05468	20.9
105.02720	5.9
105.03400	100.0
105.04494	6.1
105.07035	64.7
107.04961	20.0
107.08593	49.8
108.96495	3.1
109.02867	11.1
109.06544	17.6
109.10152	27.6
111.04440	9.5
111.08058	10.0
115.03952	3.2
115.05456	16.4
117.07005	28.6
119.04973	8.4
119.08580	68.5
121.02884	7.0
121.06521	14.1
121.10146	29.3
123.08065	9.4
123.11688	5.8
125.09618	11.3
127.03918	21.4
127.07563	5.0
128.06223	10.1
129.06992	30.4
130.07794	4.2
131.04947	32.3
131.08574	46.4
133.06480	15.8
133.10149	57.7
135.04439	7.4
135.08029	15.0
135.11682	16.1
137.02284	4.1
137.05989	5.6
137.09651	4.2
139.07515	16.0
141.06999	12.1
142.07779	12.2
143.08562	42.1
143.63126	3.5
144.09317	4.3
145.06517	20.3
145.10138	57.1
147.04413	6.5
147.08084	29.6
147.11708	25.6
149.06020	7.8
149.09592	14.1
149.13242	5.6
151.07573	5.3
153.05383	6.5
153.07028	8.1
155.08505	21.2
156.09328	14.7
157.06496	5.1
157.10130	49.2
158.10912	4.9
159.08098	18.5
159.11699	36.5
161.05997	19.0
161.09662	20.3
161.13248	10.5
163.07507	6.7
163.11162	12.2
165.07027	4.4
165.09094	6.4
166.07776	4.5
167.08583	9.9
169.10136	32.6
170.10921	10.1
171.08057	19.2
171.11685	48.6
173.06015	22.0
173.09602	22.4
173.13281	32.5
174.06787	4.5
175.07532	10.8
175.11244	9.3
177.09074	12.1
179.08504	8.4
179.10632	7.2
180.09271	4.9
181.06459	4.7
181.10135	20.9
182.10869	7.0
183.08023	6.2
183.10187	7.0
183.11658	40.3
185.08057	11.9
185.09612	17.8
185.13290	44.6
187.07574	10.3
187.11227	10.0
187.14812	18.4
189.05481	20.4
189.09106	12.5
191.08640	3.6
191.10625	9.0
193.10117	14.9
193.12186	13.9
194.10948	5.9
195.08145	4.4
195.10188	4.8
195.11702	28.0
197.09641	9.9
197.13301	23.4
199.07642	5.2
199.11166	18.0
199.14874	17.2
201.09096	3.8
201.12778	10.1
203.07014	5.0
203.10620	7.0
203.14174	4.9
205.12204	4.4
206.10909	6.2
207.09952	5.4
207.11646	13.0
208.12511	8.3
209.09605	9.2
209.13245	25.9
210.10423	5.9
211.11215	8.3
211.13071	7.2
211.14951	21.6
213.09132	7.7
213.12735	25.6
213.16286	11.0
215.10732	8.2
215.14241	10.0
217.08568	7.0
219.08092	5.0
219.11636	12.3
220.12451	6.3
221.13272	16.3
223.11165	8.9
223.14867	18.5
225.09181	5.5
225.12712	10.4
225.16374	8.7
227.10684	5.5
227.17924	10.6
229.12236	8.6
231.13785	13.4
233.13298	7.2
235.11230	5.6
235.14777	12.0
237.12770	9.0
237.16420	13.6
239.10675	5.5
239.14334	6.0
239.18005	7.2
241.12311	10.9
241.19495	5.1
244.12508	4.7
245.09540	4.8
245.13348	8.5
245.15460	8.4
246.14049	6.0
247.11111	5.2
249.16364	10.8
251.14343	10.3
251.17969	8.0
253.12347	4.7
253.16049	7.1
255.13731	8.4
257.13202	6.1
257.15588	5.7
259.13223	5.1
260.15753	4.4
261.16357	5.2
263.18112	4.6
265.12238	4.5
265.15833	6.6
265.19635	8.8
267.16019	6.4
267.20990	4.5
269.15594	4.5
269.18958	7.9
273.14856	16.1
274.13345	3.9
275.17987	6.0
279.17719	5.9
283.13275	6.2
285.17261	7.3
287.13980	5.2
291.17453	4.1
299.13943	4.2
301.14291	34.5
302.16364	4.4
305.11490	7.9
307.16953	5.0
307.20456	7.8
309.21964	6.8
311.20010	4.6
319.16208	4.9
325.17963	5.6
325.21509	4.9
329.18967	4.0
331.16748	6.1
333.18521	4.1
337.17160	4.1
339.19528	5.6
341.17615	6.5
342.16522	4.2
343.16293	7.1
353.21121	7.4
357.18170	6.3
359.23193	4.1
361.17932	5.5
365.21109	5.9
373.23810	6.2
375.18820	14.6
377.20255	6.9
377.24649	10.6
381.24326	21.7
385.18005	13.5
391.19077	8.1
393.19409	5.8
395.25891	26.1
399.25482	25.4
403.19150	33.3
405.24524	8.2
407.29379	4.3
411.25183	5.9
413.26630	10.7
419.18588	6.9
421.20117	26.0
423.25446	36.2
431.24448	6.3
439.21185	8.5
441.26440	42.3
449.73169	3.8
459.27399	12.4
471.26849	5.3
481.22083	9.9
493.25677	5.6
511.26724	4.9
525.22772	4.1
543.29626	5.8
567.29346	15.6
573.30377	11.0
585.30859	70.4
603.22974	7.9
603.32697	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26068	4.9
51.60304	3.0
53.69508	3.6
54.79323	3.9
55.01878	7.9
55.05518	21.5
56.77664	3.8
65.03957	3.8
67.05497	14.4
68.54802	3.5
69.03441	6.4
69.07058	5.1
69.22794	33.7
71.04994	4.6
77.03896	3.7
79.05486	15.4
81.03418	4.6
81.07059	17.4
83.04989	37.5
91.05486	32.5
93.07038	23.1
95.04984	13.9
95.08601	19.3
103.05488	19.9
105.03397	21.0
105.07043	36.1
107.04986	7.5
107.08611	17.8
109.06508	9.0
109.10145	4.5
115.05447	6.3
116.61203	3.8
117.07036	16.6
118.77169	3.5
119.08578	42.5
121.06547	7.8
121.10132	9.4
123.08104	5.8
128.06238	9.8
129.07016	13.1
130.07803	6.1
131.04938	36.3
131.08582	28.4
133.06506	13.3
133.10133	31.7
135.08037	14.0
137.09601	4.6
141.07007	10.3
142.07875	9.8
143.08569	32.0
144.09406	5.7
145.06490	6.3
145.10138	34.7
147.08061	19.3
147.11742	4.9
149.09628	8.9
151.07530	4.3
154.07805	7.7
155.08589	15.0
156.09402	17.8
157.10147	38.6
159.08115	11.3
159.11749	23.2
161.06033	10.0
161.09645	17.1
162.06784	4.0
163.07521	5.5
163.11180	3.8
165.07054	8.3
166.07806	4.1
167.08591	9.4
168.09396	8.8
169.10147	58.5
170.10860	6.8
171.08006	6.2
171.11694	51.8
173.09619	14.5
173.13287	11.2
175.07581	13.0
179.07138	4.7
179.08554	10.2
180.09383	6.5
181.06697	4.5
181.08611	5.3
181.10098	12.9
182.10947	5.4
183.08171	6.1
183.11714	100.0
185.09633	6.7
185.13208	19.8
187.11214	10.3
189.05457	6.0
189.09100	12.1
192.09320	7.4
193.10126	10.0
194.10924	12.6
195.11705	29.9
197.09656	7.7
197.13290	22.9
199.07596	4.1
199.11194	16.1
201.09084	4.0
201.12787	8.7
203.10562	4.3
205.10216	5.4
206.10913	9.9
207.10049	4.9
207.11855	18.3
208.12453	6.1
209.09712	5.9
209.13255	21.6
210.14049	6.0
211.11182	9.2
211.14879	7.0
213.12766	11.3
215.14339	4.3
217.10229	7.0
217.12225	6.1
218.11063	7.2
219.11696	13.0
220.12558	7.2
221.13365	19.8
223.11267	4.7
223.14841	12.8
227.10724	5.3
229.12227	7.9
231.11720	8.6
231.13846	6.8
232.12444	8.7
233.09727	4.4
233.13271	15.0
233.15414	5.0
235.14929	12.3
237.12788	7.0
239.14297	6.1
243.11858	6.4
244.12437	8.2
245.13362	10.8
246.14032	5.7
247.11293	9.2
247.14850	10.3
249.12714	11.4
249.16446	8.3
251.10699	4.2
251.14421	5.4
255.11743	5.6
257.13345	4.8
259.15060	6.8
261.16446	4.2
263.10611	4.1
263.14401	7.1
263.18112	5.6
265.15909	9.3
271.14911	7.2
272.12061	5.1
274.13391	5.2
275.14297	5.5
277.15958	4.3
283.14694	7.4
285.16290	7.2
287.17810	4.0
299.18082	4.4
303.17334	7.8
305.18924	8.0
309.14877	4.6
325.18002	14.4
329.15143	4.2
331.16983	8.3
331.20398	6.5
343.17041	4.9
343.20715	5.2
345.18509	9.2
347.16354	6.7
347.20148	5.8
349.18036	27.6
351.19650	10.2
353.21005	11.7
359.20120	20.4
361.21768	12.6
363.15698	5.2
363.19632	18.7
365.17322	8.0
365.21265	11.1
367.19125	6.8
371.20010	5.8
375.19684	5.0
377.21204	52.6
379.22726	14.7
381.20557	19.7
389.21307	35.6
395.22379	8.8
403.19055	12.6
407.22214	80.4
409.20157	5.6
410.98520	4.5
419.18744	8.2
421.20236	11.3
425.23401	48.1
439.21118	6.7
443.24225	12.2
523.20221	4.1
603.24341	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	603.3167
Annotation	trapoxin A
Peak:m/z	Relative Intensity
53.03943	4.0
54.50053	1.5
55.01869	5.5
55.05504	10.8
62.66636	1.7
65.03918	2.0
66.17165	1.8
67.05521	9.2
69.03431	4.2
69.07059	2.7
69.29168	14.2
70.06562	1.8
78.22335	1.4
79.05478	6.9
81.03416	2.1
81.07072	8.0
83.01334	2.6
83.04980	11.5
85.02889	4.8
91.05482	15.4
93.07059	12.5
95.04974	10.7
95.08608	10.9
97.02865	1.9
97.06515	7.1
103.05463	7.1
105.01894	1.8
105.03384	7.4
105.07042	26.4
107.04958	3.7
107.08616	9.6
109.02894	2.6
109.06509	5.6
109.10110	3.0
115.05437	2.2
117.07037	10.2
119.05040	1.8
119.08589	17.6
121.06503	3.7
121.10126	2.6
123.04445	2.7
127.03921	3.9
128.06187	6.1
129.06999	7.4
130.07747	2.4
131.04939	9.2
131.08588	15.1
133.06476	7.1
133.10136	17.0
134.68111	2.1
135.08034	6.8
137.06003	2.1
141.06975	4.7
142.07782	7.6
143.08571	17.5
144.09294	2.9
145.06451	4.9
145.10130	23.0
147.04535	1.5
147.08061	8.7
147.11670	1.9
149.02286	2.2
149.05931	3.9
149.09612	4.0
151.07515	2.1
153.06967	3.3
154.07733	3.0
155.08549	11.9
156.09377	8.3
157.10138	25.6
158.07312	2.2
159.08084	9.6
159.11700	9.4
161.05949	6.6
161.09639	13.5
163.07535	4.0
166.07854	3.0
167.08557	5.5
168.09335	7.1
169.10136	36.2
170.10889	5.8
171.08092	4.2
171.11707	32.9
173.05917	2.0
173.09602	8.3
173.13277	4.6
173.89095	1.5
175.07520	6.9
175.11215	3.4
177.09113	2.6
179.07159	3.2
179.08519	6.2
180.09340	2.7
181.10139	11.7
182.10869	4.7
183.11707	100.0
184.08777	2.0
184.12329	1.9
185.09575	5.2
185.13283	14.3
187.07599	3.3
187.11185	6.6
187.14792	3.0
189.09090	13.0
192.01639	1.6
193.04913	1.9
193.10109	6.9
194.10919	5.1
195.08102	2.6
195.11687	10.5
197.09589	4.0
197.13315	10.9
198.10446	1.6
199.07504	2.3
199.11211	14.1
199.14886	2.9
201.09113	2.0
201.12726	7.5
203.10622	3.3
205.10129	2.4
206.10797	3.5
207.10004	10.5
207.11871	7.8
208.12428	3.6
209.13243	19.2
210.13992	2.4
211.11304	2.4
211.14906	2.2
213.09250	3.2
213.12820	11.8
215.14212	2.6
216.09167	1.6
217.08537	2.2
218.10846	2.0
219.11687	4.5
220.12410	3.1
221.13237	8.7
223.11113	4.3
223.14742	8.6
225.09151	3.2
225.12804	3.9
225.16382	2.8
227.10660	6.7
229.10094	1.7
229.12296	2.2
231.05170	2.1
231.11754	3.3
231.13771	3.1
232.08694	2.2
232.12346	2.4
233.13269	6.4
235.11163	1.9
235.14812	7.2
237.16429	2.8
245.08031	10.4
245.13292	2.7
246.14011	2.9
247.14862	5.2
248.15570	2.5
249.16359	6.2
251.17851	1.8
257.13342	2.6
258.13950	2.1
259.14856	4.3
260.15607	1.8
261.16428	4.7
263.14410	2.0
263.17651	1.9
265.15814	2.3
275.14203	1.8
275.17871	2.9
277.15854	2.0
285.12756	2.2
287.12900	5.5
305.13885	6.4
305.18729	2.0
307.16940	2.0
311.16531	2.3
313.19522	2.5
317.15280	2.2
317.18887	1.9
325.17975	5.4
331.16809	3.3
331.20432	3.1
337.18018	2.3
343.20413	1.9
345.18433	2.3
347.16440	2.0
347.20316	2.6
349.17935	9.2
351.19577	4.1
353.21078	7.3
359.19916	8.0
361.21564	4.1
363.19482	6.5
365.17255	3.7
365.21188	4.3
367.18890	3.5
371.19656	1.9
377.21161	24.6
379.22940	9.9
381.20566	8.4
389.15903	11.3
389.21072	17.2
391.18964	2.1
395.22113	8.8
407.16992	2.6
407.22137	33.7
425.23230	25.6
443.24197	4.9
447.17953	2.5
483.19955	2.7
567.22235	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	603.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.4
55.01877	2.7
55.05511	11.5
59.58414	1.3
67.05508	6.8
67.90164	1.4
68.83978	1.6
69.03452	5.3
69.07075	3.8
77.03943	1.7
79.05507	8.6
81.03419	3.1
81.07062	9.4
83.04984	14.5
83.08643	1.3
91.05495	15.1
93.07054	15.0
95.04990	8.4
95.08614	14.1
97.06561	3.9
98.20722	3.4
101.02406	2.3
103.05488	4.5
105.03391	9.5
105.07041	25.9
105.07675	2.0
107.04995	1.7
107.08604	22.7
109.06554	5.7
109.10179	4.3
111.04501	1.5
115.05441	2.4
117.07059	6.2
119.08591	23.1
121.06554	2.8
121.10150	7.9
123.08094	3.1
128.06281	4.6
129.06963	7.4
131.04979	7.4
131.08568	14.2
133.06517	2.7
133.10146	14.8
133.10982	1.6
135.08105	4.6
135.11752	2.1
141.07018	4.8
142.07741	6.6
143.08575	18.3
144.09232	2.1
145.10135	23.6
145.11162	2.2
147.08052	8.7
147.11708	4.6
149.09618	2.8
153.05525	1.5
153.07091	3.2
153.09120	1.6
154.07764	3.0
155.08542	11.2
156.09355	9.7
157.10136	27.5
157.11317	2.2
159.08113	5.1
159.11674	9.9
161.06053	2.8
161.09647	7.4
163.07613	1.9
163.11308	2.5
165.07089	3.6
167.08597	3.8
168.09421	5.8
169.10141	54.7
169.11577	2.8
170.10922	4.9
171.08072	3.8
171.11690	35.3
171.13150	2.0
173.09610	10.3
173.13344	5.7
175.11176	2.1
179.08562	2.7
180.09393	4.1
181.08636	8.0
181.10193	8.0
182.10930	4.5
183.11711	100.0
185.09685	3.1
185.13269	13.5
187.11259	6.3
187.14842	1.9
189.09203	3.8
192.09372	3.3
193.10249	4.6
194.10977	2.9
195.10106	2.9
195.11710	23.5
196.12395	1.5
197.09653	3.5
197.13312	11.7
198.10439	2.2
199.11174	10.8
199.14879	4.2
201.12828	4.8
205.08498	1.8
205.10251	3.5
206.10957	3.7
207.10133	1.5
207.11752	7.7
208.12518	3.4
209.09991	1.5
209.13272	15.3
210.14069	2.7
211.11345	3.1
211.14754	8.0
213.12746	19.0
214.13177	2.9
217.10226	2.6
218.10939	1.8
219.11743	6.5
220.12498	2.6
221.13264	8.6
222.14098	1.6
223.11240	1.9
223.14816	10.5
225.12823	1.7
225.16498	5.1
231.11823	2.9
231.13931	3.6
232.12537	2.7
233.13416	6.3
234.14006	2.5
235.14803	9.2
237.12804	1.6
237.16515	5.6
244.12587	2.8
245.13394	5.0
246.14038	2.0
247.14864	8.8
248.15744	2.5
249.12857	2.7
249.16449	7.7
251.14413	1.7
251.17952	3.4
253.19545	3.3
257.13239	3.3
258.13965	2.0
259.14944	4.5
260.15720	1.7
261.16476	4.4
262.16855	1.7
263.14377	2.9
263.18042	3.7
265.15802	2.3
271.14816	1.6
273.14984	7.1
275.14978	1.4
275.17981	3.4
277.19464	12.1
279.17438	2.0
285.16360	1.6
287.17932	1.7
289.16180	1.5
289.19620	6.8
291.17474	4.3
295.17136	2.1
295.20688	1.7
301.16092	1.6
301.19681	1.5
303.17834	1.6
305.15768	1.5
305.19138	1.9
307.20590	5.1
309.14694	3.3
319.20837	2.1
321.18454	1.5
323.16467	4.3
323.20059	2.6
325.18079	7.8
325.21616	3.0
331.20685	3.0
349.18039	10.3
349.21698	2.5
351.19611	4.7
353.21259	4.9
357.18427	3.9
363.19522	9.5
365.17413	3.3
365.21289	6.9
367.18997	2.7
375.19592	3.7
377.21045	32.9
379.22812	10.1
381.20688	11.2
389.21088	14.2
395.21844	7.9
395.26569	2.2
403.19101	1.6
407.22180	42.9
421.19968	1.8
425.23254	31.9
443.24579	3.8
455.28125	5.2
525.28485	4.0
585.31311	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.01866	6.1
55.05513	33.4
65.03931	3.1
67.05508	18.5
69.03438	9.8
69.07076	7.1
79.05503	19.0
80.74348	2.5
81.03403	5.9
81.07066	19.6
83.04990	63.5
83.05470	6.1
84.05327	2.7
91.05491	26.0
93.07059	24.7
95.01332	15.4
95.04955	22.7
95.08611	24.0
97.06532	8.8
103.05492	13.4
105.03391	69.6
105.04473	4.0
105.07036	46.6
107.04982	6.9
107.08591	26.3
109.06521	9.9
109.10153	8.6
111.04458	3.5
115.05480	6.6
117.07031	12.7
119.08597	44.7
119.09384	5.3
121.02850	3.7
121.06515	10.5
121.10146	12.7
123.04444	9.7
123.08070	5.5
128.06233	10.0
129.06989	11.9
131.04964	28.1
131.08569	26.8
133.06493	12.2
133.10141	30.8
135.08098	11.2
141.06990	6.1
142.07813	12.0
143.08592	29.7
145.06499	6.0
145.10136	38.9
147.08044	15.0
147.11726	8.0
149.09634	10.7
151.03920	31.0
153.06981	6.9
154.07797	10.1
155.08510	14.8
156.09396	15.1
157.10152	42.0
159.08073	12.8
159.11722	16.5
161.05995	12.3
161.09647	12.6
161.13263	4.2
163.07532	7.7
165.05704	2.8
165.06999	6.2
166.07854	3.8
167.08571	10.2
168.09320	7.8
169.10129	66.4
170.10902	12.9
171.08051	10.0
171.11700	59.9
172.12109	3.5
173.05994	3.5
173.09633	16.6
173.13280	5.9
175.07607	4.5
175.11237	5.6
177.09059	3.7
179.07079	3.3
179.08577	9.4
180.09328	5.7
181.10143	12.9
182.10857	6.0
183.08116	6.3
183.11703	100.0
184.08791	2.8
185.09676	4.4
185.13278	29.1
187.07561	5.0
187.11198	11.4
189.05411	3.2
189.09180	4.8
192.09355	6.0
193.10181	14.0
194.10945	7.3
195.11726	36.5
196.12395	6.0
197.09666	8.2
197.13297	20.2
198.10339	6.4
199.11212	23.9
199.14806	6.1
201.12775	9.0
203.10713	3.8
205.10179	6.2
206.10919	7.0
207.11705	17.9
208.12505	5.6
209.09674	3.1
209.13275	23.1
211.11258	7.9
211.14877	7.6
213.09227	4.7
213.12753	45.1
215.10605	3.0
215.14368	7.6
217.10187	7.5
218.10797	5.6
219.11655	10.6
219.13618	2.9
220.12460	8.5
221.13286	17.8
222.14027	4.0
223.11188	5.7
223.14915	10.4
224.11932	4.7
225.09103	4.4
225.16428	4.4
227.10638	5.0
227.14339	5.9
231.11707	7.1
231.13870	10.4
232.12564	3.4
233.13269	9.2
234.13994	6.4
235.11166	4.2
235.14897	11.8
236.15529	4.4
237.12791	6.9
237.16414	8.6
239.10664	3.2
239.14183	5.0
243.11751	4.2
244.12665	6.2
245.13292	9.3
245.15475	5.9
247.14850	12.5
249.12762	4.3
249.16467	15.4
250.17204	3.4
251.14371	7.0
253.19545	5.0
255.13800	3.8
257.13220	6.0
259.14926	8.1
260.15707	5.1
261.12726	4.5
261.16409	11.7
262.13577	3.1
263.14264	6.3
263.17859	5.8
265.12216	3.2
265.15744	6.2
267.17517	3.3
270.98328	2.9
271.14774	5.3
273.14828	15.0
274.17120	4.5
275.17993	8.2
277.15726	4.9
279.20987	3.8
285.16302	3.1
287.14310	3.8
287.17859	3.2
289.15900	3.3
289.19199	6.1
291.17474	3.0
307.17065	4.5
307.20425	9.8
317.18945	4.2
319.16696	4.5
321.18600	5.4
323.16446	6.1
323.20294	3.4
325.18057	7.4
331.16974	7.7
333.22079	3.1
335.19995	4.9
337.17972	5.6
337.21643	5.2
343.16937	5.2
345.18582	4.9
347.20117	5.1
349.17984	15.3
351.19568	3.6
353.21091	12.0
357.18396	4.7
359.20105	4.4
363.19589	14.5
365.17316	7.0
365.21204	7.3
373.18170	3.7
375.19644	6.0
377.21091	47.3
377.25055	3.5
379.22977	15.3
381.20529	10.1
385.17920	6.1
389.21344	15.8
395.22147	10.6
403.19077	12.7
407.22156	62.0
411.17868	3.2
421.20383	13.9
425.23343	40.6
437.26672	3.2
443.24335	3.8
453.26202	3.6
455.27988	9.8
473.34018	2.9
571.25397	3.8
585.30450	3.5
603.25177	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	603.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01880	6.6
58.70427	1.2
67.05499	2.4
69.03417	2.6
69.07063	1.5
69.47286	4.2
69.47697	6.1
79.05500	4.1
81.03413	4.5
81.07061	2.5
85.80859	1.5
89.55087	1.4
91.05487	12.6
93.07034	5.2
95.04966	6.0
95.08632	1.6
103.04788	3.1
103.05471	45.5
105.07024	12.1
107.04967	3.2
107.08578	3.8
109.06498	2.8
115.05466	5.4
116.06245	2.6
117.07019	11.4
119.08561	11.3
121.06530	1.7
121.10098	4.0
128.06235	5.2
129.07008	10.1
131.04935	100.0
131.08566	8.9
133.06459	1.6
133.10121	10.6
135.08061	4.2
141.07002	3.0
142.07771	2.8
143.08560	9.6
144.05615	1.6
145.06456	10.0
145.10095	8.0
147.08054	43.4
149.09624	3.9
155.08582	3.3
156.09360	5.3
157.10144	16.3
159.08067	25.1
159.11703	14.6
161.09624	17.8
163.07556	46.1
163.11214	1.5
165.06998	2.3
167.08521	1.6
169.10120	5.3
170.10925	5.2
171.08038	3.1
171.11691	24.7
173.05977	3.8
173.09644	10.9
173.13274	4.8
175.07607	2.8
175.11121	1.9
179.10678	2.6
181.10049	2.2
183.11705	16.4
185.09622	7.7
185.13261	23.9
187.07582	3.1
187.11197	6.0
189.09131	3.5
189.12801	2.3
191.10802	1.8
195.11656	3.4
197.09604	4.9
197.13278	4.1
199.11150	11.6
201.09117	5.3
201.12750	5.2
203.10747	3.0
203.14392	1.6
205.12183	2.7
207.11610	1.5
209.13191	1.5
211.11206	4.9
213.09290	1.3
213.12738	14.2
215.10767	2.2
217.12346	4.6
219.13737	2.0
221.13412	1.8
227.10670	2.4
229.12277	4.8
231.13786	10.8
233.15405	3.6
237.12643	2.3
241.12238	5.5
243.13777	4.9
245.15405	13.3
247.13281	1.7
249.12695	1.9
251.14420	2.1
255.13805	2.5
257.11908	1.4
259.13171	8.8
261.14932	1.7
263.16431	5.2
273.12405	1.7
273.14883	10.3
275.14209	2.6
287.14282	1.9
291.15839	6.5
294.82620	1.5
295.28326	1.5
297.12543	1.9
311.14136	2.9
312.15265	2.3
315.17361	5.4
317.18997	4.4
327.17435	6.3
331.20511	2.3
333.18478	2.1
341.19043	4.4
345.18408	4.5
347.20129	1.8
353.77029	1.4
357.18335	1.5
359.19980	7.0
359.83890	1.7
375.19470	2.1
377.21191	2.1
387.19540	7.9
389.21176	5.1
391.22577	6.4
401.20963	7.0
405.20520	7.2
407.22058	2.8
409.24109	2.2
419.22128	19.8
419.54843	1.5
423.21689	7.5
437.23227	18.4
455.24274	5.6
495.75348	1.5
571.26660	8.3
585.28467	2.3
603.29633	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	603.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
54.88260	0.7
55.01862	3.1
55.05512	0.9
56.81282	0.7
56.89630	0.6
65.03948	0.7
67.05511	0.9
69.03431	1.3
69.07023	0.7
73.70237	0.6
73.85792	0.7
77.03916	0.9
79.05463	1.5
81.03418	2.9
81.07029	1.0
85.71326	0.8
91.05486	6.2
93.07037	2.3
95.04964	4.0
95.08605	0.7
102.04679	1.1
103.05472	55.7
105.04549	1.1
105.07034	5.9
107.04935	1.9
107.08591	2.7
109.06499	1.6
115.05460	2.7
117.07006	5.5
119.08577	6.8
121.10142	1.0
128.06232	1.6
129.07007	4.5
131.04935	100.0
131.08582	5.4
131.21664	0.6
132.05658	0.7
133.06520	0.9
133.10147	4.7
135.08054	2.8
142.07799	2.3
142.92415	0.8
143.08542	4.5
145.06476	3.9
145.10109	4.1
147.06931	1.4
147.08054	19.5
147.09222	1.0
147.11664	0.9
149.09608	1.9
150.68446	0.7
155.08554	1.6
156.09361	3.5
157.10126	8.3
159.08076	13.4
159.11703	5.6
161.09627	7.7
161.13295	1.3
163.07549	17.1
163.11168	0.9
165.06972	1.0
167.08611	0.9
169.10104	3.7
170.10918	2.6
171.08064	2.8
171.11705	11.5
173.06017	2.1
173.09674	5.7
173.13261	2.0
175.07568	2.2
175.11162	0.8
177.23639	0.7
181.10075	0.8
183.11703	6.3
185.09654	2.8
185.13242	8.9
187.07544	1.1
187.11212	2.4
189.09154	1.2
189.12660	0.9
195.11752	1.9
197.09665	1.2
197.13286	1.9
199.11172	6.2
201.09134	1.7
201.12755	2.3
205.12296	0.7
207.11789	1.6
209.13329	1.1
211.11203	1.4
213.12706	7.0
215.10767	1.0
217.12292	1.7
219.13873	0.9
221.13342	1.7
223.11159	1.3
227.05301	0.7
227.10718	1.3
229.12315	2.0
231.13832	3.5
233.15405	1.6
235.11090	0.8
237.12756	0.9
239.10670	1.0
241.12181	3.2
243.13892	1.7
245.15327	6.0
249.12706	1.2
259.13223	3.6
261.14978	1.0
263.16501	2.5
269.13052	0.8
273.14838	4.9
275.14069	1.3
291.16016	2.6
297.12967	0.8
315.17447	1.8
317.15320	0.8
317.19016	0.8
327.17548	2.6
329.15500	0.9
329.19058	1.0
333.18390	0.9
341.19089	2.2
345.18631	2.1
357.18512	1.0
359.20169	2.6
363.19519	1.0
377.20996	0.9
387.19690	2.1
389.21234	1.6
391.22839	1.4
401.21335	2.7
405.20663	5.0
407.22165	1.7
411.21707	0.7
419.22223	6.8
423.21753	2.7
437.23178	6.9
455.24188	3.7
571.27020	2.7
603.29388	0.9
612.00403	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00583	2.5
53.03946	5.4
55.01854	4.0
55.05516	11.6
56.99477	2.6
65.03940	2.6
66.84955	2.4
67.05509	11.0
69.03437	8.3
69.07079	6.0
71.04988	2.9
71.56244	3.0
72.31190	2.7
79.05492	17.8
81.03412	5.6
81.07062	16.1
83.04984	10.6
83.08624	2.8
85.06532	3.2
91.05492	26.6
93.07059	21.6
95.01351	2.8
95.04967	13.5
95.08617	14.3
97.02908	4.6
97.06513	3.5
103.05470	48.0
105.03373	6.2
105.07032	44.3
107.04927	4.5
107.08573	22.3
109.06519	8.0
109.10162	6.5
115.05452	7.4
117.07019	16.7
119.04991	3.4
119.08597	37.6
121.02851	3.0
121.06511	10.4
121.10157	11.0
123.04445	3.8
123.08073	6.4
128.06209	19.0
129.07002	12.4
130.07803	6.5
131.04932	100.0
131.08589	27.8
133.06508	16.6
133.10144	31.4
135.04477	3.2
135.08064	9.6
135.11670	3.4
137.06030	2.8
141.06970	6.7
142.07784	10.7
143.08578	42.8
145.06500	10.4
145.10123	30.1
147.08067	13.7
147.11688	7.9
149.05981	5.9
149.09656	6.3
151.07559	5.3
152.06221	2.8
153.06969	3.7
154.07811	3.9
155.08574	14.9
156.09364	11.8
157.10124	37.2
158.07310	4.4
159.08049	18.6
159.11662	22.2
161.05989	8.6
161.09633	25.9
161.13326	5.3
163.07547	7.4
165.06989	7.6
165.09169	3.5
167.08580	9.5
168.09247	3.1
169.10114	19.3
170.10944	6.5
171.08009	13.0
171.11696	34.0
172.08720	3.0
173.05997	4.8
173.09634	15.6
173.13307	7.2
175.07561	8.3
175.11209	10.3
177.05484	5.2
177.09117	7.0
179.07123	2.9
179.08585	11.7
179.10675	3.4
180.09372	5.4
181.10135	17.1
182.10922	5.4
183.08018	4.4
183.11716	18.3
184.08781	3.3
185.09605	10.7
185.13246	12.5
187.07503	9.5
187.11195	8.3
187.14749	2.8
189.09091	16.2
189.12709	4.9
191.08632	3.0
191.10649	4.5
192.09238	3.3
193.08623	3.1
193.10167	11.1
193.11993	2.7
194.10875	6.0
195.11688	14.7
197.09604	19.4
197.13266	12.3
199.11172	18.3
200.11957	4.3
201.09174	5.4
201.12737	5.9
203.10536	3.4
205.10269	5.4
206.10941	7.7
207.10071	13.2
207.11812	19.2
208.12473	5.3
209.09622	10.1
209.13234	16.1
210.10449	4.3
211.11211	12.4
211.14790	9.1
213.09117	11.8
213.12770	11.4
215.10699	10.3
215.14322	2.7
217.08629	10.7
217.12183	4.2
218.10893	5.3
219.11748	7.5
220.12428	5.5
221.09731	3.9
221.13351	15.9
222.14139	4.5
223.11249	4.8
223.14774	12.3
225.09122	4.4
225.12796	6.4
225.57927	3.2
227.10663	19.9
227.14400	3.0
229.12262	9.1
231.11844	4.3
231.13870	8.7
232.12494	4.5
233.13292	11.4
233.15355	4.6
234.14055	6.8
235.11249	5.2
235.14772	12.8
237.12781	7.3
237.16466	4.5
239.18056	3.6
241.12195	11.0
243.09842	3.3
243.11923	4.5
243.13951	5.4
245.08031	4.7
245.13345	5.8
246.14021	5.0
247.14874	8.7
248.11925	3.2
248.15642	4.1
249.12767	3.0
249.16493	9.5
251.14308	4.6
253.12273	4.1
253.15993	3.6
259.12955	3.7
259.15195	4.8
260.15704	3.0
261.16519	6.4
263.14236	7.5
263.18015	6.9
269.11597	3.5
270.14120	3.5
271.13370	5.7
273.15134	3.8
275.17709	3.0
277.19336	3.6
279.17358	3.8
281.15356	5.5
287.12964	5.7
289.16180	3.5
289.19464	7.0
291.17435	3.1
293.22519	4.0
301.15427	3.0
305.15640	3.5
305.18964	6.3
307.17075	5.0
307.20340	12.9
315.17133	2.9
317.15054	3.0
319.16742	3.0
321.14764	3.5
323.20197	3.1
325.18063	6.5
325.21628	6.0
331.20337	3.7
333.14789	4.4
333.18637	3.4
337.17944	12.5
353.17743	6.3
357.21906	4.0
359.16370	7.4
361.17850	3.9
373.18109	4.9
375.23135	8.7
377.17621	4.9
379.19016	5.2
379.22778	14.5
389.17035	9.7
393.24280	9.8
397.19894	3.9
403.22964	6.4
405.16827	4.3
409.20624	3.4
419.18558	9.1
421.24042	18.5
437.19571	16.9
439.24887	57.3
447.17752	6.0
455.20584	7.3
465.19073	10.3
483.19821	3.5
485.23169	3.2
499.26682	9.3
525.21234	7.4
543.29242	3.6
559.33142	3.1
567.22131	9.7
585.24213	17.0
603.25214	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	603.2803
Annotation	Oxidized dinoflagellate luciferin
Peak:m/z	Relative Intensity
53.03938	6.0
55.01865	4.3
55.05502	9.3
67.05499	8.4
69.03425	6.5
69.07070	3.1
71.04956	2.6
71.55576	3.6
79.05511	12.3
81.07059	7.8
83.04979	8.7
85.02920	2.8
91.05482	21.7
93.07034	14.5
95.04995	10.8
95.08588	11.2
97.06552	4.8
103.05479	45.5
105.03399	21.7
105.04474	3.7
105.07040	30.3
107.04918	4.9
107.08594	9.4
109.06518	8.1
109.10134	4.1
112.97398	2.2
115.05460	6.4
117.07011	11.3
119.04924	7.9
119.08593	32.1
121.06475	7.5
121.10139	9.5
123.08041	3.9
127.05316	2.2
128.06200	7.5
129.07025	11.5
131.04933	100.0
131.08582	19.3
132.58331	2.5
133.06497	13.3
133.10133	18.9
135.08052	10.1
137.05969	3.9
141.07018	7.2
141.09074	2.4
142.07747	9.6
143.08571	21.3
145.06487	14.5
145.10118	19.2
147.07999	13.6
147.11617	2.1
149.02348	3.1
149.06035	5.1
149.09601	10.4
151.07533	4.1
153.06976	4.2
154.07799	3.4
155.08559	15.1
156.09357	14.8
157.06516	4.1
157.10139	28.8
159.04451	3.6
159.08047	15.0
159.11711	12.7
161.05968	14.4
161.09651	11.4
161.13315	2.3
163.07526	7.6
163.11232	5.2
165.07068	3.7
165.09111	4.7
166.07675	2.3
167.08562	6.6
168.09375	2.9
169.10132	20.5
170.10873	8.7
171.08093	11.5
171.11699	48.6
172.08873	2.9
172.12289	2.7
173.06004	5.5
173.09679	13.4
173.13271	9.2
175.07584	7.9
175.11185	4.6
177.05470	4.4
177.09087	5.5
179.07074	4.6
179.08524	3.8
180.09343	3.0
181.10133	7.3
182.10889	2.9
183.08064	7.8
183.11696	37.7
184.08888	4.4
184.12419	2.7
185.05907	2.7
185.09625	8.0
185.13260	39.8
187.07539	5.3
187.11180	9.0
187.14856	2.6
189.05388	4.3
189.09116	5.2
191.07007	2.9
191.10648	3.4
193.08595	5.5
193.10159	7.0
193.12219	2.6
194.10971	4.7
195.08127	3.2
195.11710	10.4
197.09633	11.4
197.13272	12.0
198.10394	5.0
199.07489	3.9
199.11171	18.2
200.11816	2.5
201.09050	4.1
201.12744	10.8
203.07008	4.7
205.10272	3.8
206.10881	3.3
207.11700	13.9
208.12315	2.3
209.09686	4.8
209.13295	6.2
210.10426	2.2
211.11186	12.9
211.14816	3.0
213.09135	6.0
213.12782	29.3
215.10692	3.3
217.08426	2.9
217.10286	4.4
217.12253	3.7
218.10831	3.2
219.11722	7.4
220.12444	5.2
221.07877	3.0
221.13219	9.7
223.11224	6.1
223.14781	4.6
225.12782	3.3
227.10800	3.8
229.10172	5.1
229.12306	5.7
230.10876	3.7
231.11644	6.5
231.13869	5.6
232.12328	6.2
233.13298	7.3
234.14037	4.1
235.11259	3.0
235.14867	8.0
236.12175	3.0
237.12720	5.9
237.16325	2.5
239.10863	4.0
239.14384	3.3
241.12219	4.7
243.11699	6.0
243.13791	10.0
243.97681	2.2
244.12515	5.4
245.07944	2.8
245.13240	7.1
245.15414	19.9
246.14027	4.4
247.11180	4.7
247.14934	12.3
248.12140	2.8
248.15439	3.2
249.12735	6.6
249.16353	7.8
251.14304	4.2
253.12245	2.5
255.13972	3.8
256.12601	3.2
257.13437	5.1
258.14056	4.5
259.15109	4.4
260.11850	5.0
260.15665	4.6
261.12787	7.8
261.16464	13.8
262.13623	3.3
263.10602	2.7
263.14346	5.5
263.17944	3.5
265.12476	2.4
265.15863	2.9
269.13269	3.6
270.13959	4.5
271.13382	2.1
271.14996	3.5
272.15530	2.3
273.12393	4.5
273.14990	8.0
273.16959	2.3
274.13333	3.1
275.11069	2.4
275.14319	4.5
275.17978	6.7
276.14844	2.9
277.15811	6.2
279.13950	2.4
279.17383	3.4
283.11020	2.3
285.12714	4.8
287.14200	6.3
287.17612	4.0
288.15131	5.1
289.12137	2.2
289.16068	9.8
291.13528	3.1
291.17340	3.7
293.15262	2.3
293.18842	3.5
298.13495	4.9
299.10779	2.3
299.14236	5.0
299.17892	2.2
301.15851	5.7
303.17438	3.5
304.18259	2.3
305.14819	2.7
307.16824	5.3
313.15778	5.9
314.13138	2.4
315.13696	4.4
315.17404	6.4
316.14703	2.6
317.15378	4.5
317.18719	3.0
319.16992	5.5
321.18576	3.2
322.99847	2.4
323.20062	3.3
327.13519	3.2
327.17377	4.7
329.15228	3.7
331.13382	3.4
331.16956	10.9
333.18375	5.9
335.16412	4.3
335.20117	2.7
343.16885	2.7
345.18546	7.9
347.16290	3.3
349.17899	5.6
351.19650	4.9
355.16934	6.7
357.18454	5.0
359.16394	7.3
361.17813	6.6
363.19525	9.0
365.21481	2.3
373.13940	2.5
373.18109	11.5
375.19516	6.8
377.17178	6.7
377.21201	7.0
379.19107	2.3
381.20599	7.5
385.17978	2.8
387.19650	4.3
389.16449	5.1
391.19043	16.2
393.20566	3.8
395.22064	3.3
401.17471	5.6
403.18997	13.2
405.20560	7.8
407.22668	2.6
409.19812	7.3
411.21704	2.9
419.18521	15.7
421.20230	16.5
423.21640	4.5
425.23016	2.6
433.20068	12.6
437.19412	8.8
439.21210	6.1
441.22601	2.8
451.21143	18.4
455.20486	7.2
465.22714	9.5
481.22198	3.0
483.24017	12.8
493.22015	3.0
511.22968	4.3
525.24994	2.8
529.24872	3.3
543.25543	5.2
549.20880	2.8
553.23926	4.1
571.24408	3.1
585.25452	3.4
603.26556	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	603.2798
Annotation	Plantagiolide A
Peak:m/z	Relative Intensity
50.00583	2.5
53.03946	5.4
55.01854	4.0
55.05516	11.6
56.99477	2.6
65.03940	2.6
66.84955	2.4
67.05509	11.0
69.03437	8.3
69.07079	6.0
71.04988	2.9
71.56244	3.0
72.31190	2.7
79.05492	17.8
81.03412	5.6
81.07062	16.1
83.04984	10.6
83.08624	2.8
85.06532	3.2
91.05492	26.6
93.07059	21.6
95.01351	2.8
95.04967	13.5
95.08617	14.3
97.02908	4.6
97.06513	3.5
103.05470	48.0
105.03373	6.2
105.07032	44.3
107.04927	4.5
107.08573	22.3
109.06519	8.0
109.10162	6.5
115.05452	7.4
117.07019	16.7
119.04991	3.4
119.08597	37.6
121.02851	3.0
121.06511	10.4
121.10157	11.0
123.04445	3.8
123.08073	6.4
128.06209	19.0
129.07002	12.4
130.07803	6.5
131.04932	100.0
131.08589	27.8
133.06508	16.6
133.10144	31.4
135.04477	3.2
135.08064	9.6
135.11670	3.4
137.06030	2.8
141.06970	6.7
142.07784	10.7
143.08578	42.8
145.06500	10.4
145.10123	30.1
147.08067	13.7
147.11688	7.9
149.05981	5.9
149.09656	6.3
151.07559	5.3
152.06221	2.8
153.06969	3.7
154.07811	3.9
155.08574	14.9
156.09364	11.8
157.10124	37.2
158.07310	4.4
159.08049	18.6
159.11662	22.2
161.05989	8.6
161.09633	25.9
161.13326	5.3
163.07547	7.4
165.06989	7.6
165.09169	3.5
167.08580	9.5
168.09247	3.1
169.10114	19.3
170.10944	6.5
171.08009	13.0
171.11696	34.0
172.08720	3.0
173.05997	4.8
173.09634	15.6
173.13307	7.2
175.07561	8.3
175.11209	10.3
177.05484	5.2
177.09117	7.0
179.07123	2.9
179.08585	11.7
179.10675	3.4
180.09372	5.4
181.10135	17.1
182.10922	5.4
183.08018	4.4
183.11716	18.3
184.08781	3.3
185.09605	10.7
185.13246	12.5
187.07503	9.5
187.11195	8.3
187.14749	2.8
189.09091	16.2
189.12709	4.9
191.08632	3.0
191.10649	4.5
192.09238	3.3
193.08623	3.1
193.10167	11.1
193.11993	2.7
194.10875	6.0
195.11688	14.7
197.09604	19.4
197.13266	12.3
199.11172	18.3
200.11957	4.3
201.09174	5.4
201.12737	5.9
203.10536	3.4
205.10269	5.4
206.10941	7.7
207.10071	13.2
207.11812	19.2
208.12473	5.3
209.09622	10.1
209.13234	16.1
210.10449	4.3
211.11211	12.4
211.14790	9.1
213.09117	11.8
213.12770	11.4
215.10699	10.3
215.14322	2.7
217.08629	10.7
217.12183	4.2
218.10893	5.3
219.11748	7.5
220.12428	5.5
221.09731	3.9
221.13351	15.9
222.14139	4.5
223.11249	4.8
223.14774	12.3
225.09122	4.4
225.12796	6.4
225.57927	3.2
227.10663	19.9
227.14400	3.0
229.12262	9.1
231.11844	4.3
231.13870	8.7
232.12494	4.5
233.13292	11.4
233.15355	4.6
234.14055	6.8
235.11249	5.2
235.14772	12.8
237.12781	7.3
237.16466	4.5
239.18056	3.6
241.12195	11.0
243.09842	3.3
243.11923	4.5
243.13951	5.4
245.08031	4.7
245.13345	5.8
246.14021	5.0
247.14874	8.7
248.11925	3.2
248.15642	4.1
249.12767	3.0
249.16493	9.5
251.14308	4.6
253.12273	4.1
253.15993	3.6
259.12955	3.7
259.15195	4.8
260.15704	3.0
261.16519	6.4
263.14236	7.5
263.18015	6.9
269.11597	3.5
270.14120	3.5
271.13370	5.7
273.15134	3.8
275.17709	3.0
277.19336	3.6
279.17358	3.8
281.15356	5.5
287.12964	5.7
289.16180	3.5
289.19464	7.0
291.17435	3.1
293.22519	4.0
301.15427	3.0
305.15640	3.5
305.18964	6.3
307.17075	5.0
307.20340	12.9
315.17133	2.9
317.15054	3.0
319.16742	3.0
321.14764	3.5
323.20197	3.1
325.18063	6.5
325.21628	6.0
331.20337	3.7
333.14789	4.4
333.18637	3.4
337.17944	12.5
353.17743	6.3
357.21906	4.0
359.16370	7.4
361.17850	3.9
373.18109	4.9
375.23135	8.7
377.17621	4.9
379.19016	5.2
379.22778	14.5
389.17035	9.7
393.24280	9.8
397.19894	3.9
403.22964	6.4
405.16827	4.3
409.20624	3.4
419.18558	9.1
421.24042	18.5
437.19571	16.9
439.24887	57.3
447.17752	6.0
455.20584	7.3
465.19073	10.3
483.19821	3.5
485.23169	3.2
499.26682	9.3
525.21234	7.4
543.29242	3.6
559.33142	3.1
567.22131	9.7
585.24213	17.0
603.25214	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	603.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	14.0
55.05517	40.0
57.03425	7.7
67.05509	43.7
69.03429	59.3
69.07056	20.1
70.06583	9.7
71.56645	8.7
79.05500	44.5
81.03409	33.1
81.07073	63.4
83.04999	39.8
83.08633	8.6
85.02891	26.7
85.06517	9.7
91.05490	62.4
93.07056	56.1
95.04426	7.3
95.04948	42.4
95.08627	40.3
97.02887	9.6
97.06527	26.5
99.04443	11.7
103.05450	11.6
105.03401	7.5
105.07047	75.1
107.04932	21.0
107.08595	59.1
109.02872	11.9
109.06519	21.6
109.10153	24.7
110.32676	6.4
111.04470	10.2
113.05976	7.8
115.05465	12.7
117.07006	27.9
119.04933	12.4
119.08607	83.4
121.06490	28.5
121.10159	37.9
123.04424	13.7
123.08061	12.1
125.09637	8.6
127.03905	18.6
128.06252	13.5
129.06989	32.9
130.07777	7.4
131.04939	54.6
131.08594	58.1
133.06470	35.9
133.10133	53.0
135.08032	20.4
135.11661	17.6
137.05956	11.6
141.06985	13.5
142.07751	18.7
143.08575	66.3
145.06433	25.7
145.10133	52.5
147.04369	7.1
147.08084	48.4
147.11687	23.2
149.06038	8.8
149.09619	20.1
153.07031	8.5
155.08539	31.8
156.09355	28.7
157.06421	12.1
157.10144	100.0
159.08047	27.1
159.11717	54.4
161.05977	20.6
161.09641	38.7
161.13191	10.1
163.07553	15.3
163.11217	11.6
165.06996	10.6
167.08517	19.2
168.09311	12.7
169.10074	51.5
170.10901	15.5
171.08002	17.2
171.11703	76.7
173.05986	10.9
173.09625	28.6
173.13222	29.3
175.07487	14.0
175.11148	16.2
179.08600	23.4
179.10635	7.7
181.10107	33.3
182.10883	13.3
183.08055	17.8
183.11751	49.4
184.08850	9.9
184.12100	9.6
185.09607	23.5
185.13359	35.9
187.07471	10.0
187.11125	18.4
187.14828	12.2
189.05409	15.9
189.09145	8.8
193.10130	43.1
193.12013	15.1
194.10875	23.5
195.11696	39.3
197.09595	26.2
197.13306	49.9
198.10318	19.0
199.11195	55.6
199.14795	8.1
201.09070	8.3
201.12866	9.0
203.08682	8.8
203.10596	10.3
204.09447	14.0
205.10182	13.2
206.10782	16.6
207.11676	28.7
208.12358	10.1
209.09639	17.0
209.13313	38.5
210.10538	9.8
211.11211	24.2
213.09169	12.7
213.12814	45.6
215.10666	13.4
217.10265	10.3
218.10909	15.7
219.11673	20.3
220.12480	25.5
221.09702	11.8
221.13383	42.3
222.13928	10.0
223.11211	19.9
223.14816	17.1
224.11739	8.2
225.12756	32.3
227.10817	11.8
227.14381	12.0
229.10126	8.9
229.12192	15.3
230.10925	7.8
231.11630	33.0
231.13768	14.8
232.12483	19.1
233.13319	36.3
233.15256	9.2
234.10388	8.1
234.14041	16.0
235.14816	32.4
237.12660	18.8
237.16368	17.0
239.14308	13.5
241.12093	9.2
243.11678	17.0
243.13916	10.4
244.12457	21.0
245.13214	24.3
246.14034	23.4
247.11197	11.5
247.14882	56.2
248.15518	8.6
249.12642	19.5
249.16331	21.5
251.14305	19.2
251.17995	8.4
253.16132	7.4
255.13911	8.8
256.12332	14.2
257.13364	17.7
258.14087	17.3
259.14929	14.5
260.11865	10.6
260.15515	13.6
261.12781	11.2
261.16626	36.6
262.13632	8.4
262.17035	14.5
263.14288	24.8
263.17786	18.0
265.15887	28.5
271.14856	14.7
273.12628	16.0
273.16577	17.4
274.13876	13.9
274.16885	9.8
275.14545	16.0
275.17920	29.9
276.14978	8.3
276.18484	9.4
277.15866	17.7
277.19324	17.0
279.17368	19.7
281.15460	12.7
285.12473	9.6
285.16449	8.7
287.14365	9.2
287.17871	20.7
289.15918	32.5
290.16733	9.0
291.17398	17.9
293.18988	16.7
299.14294	10.1
303.17355	30.7
304.18311	43.3
305.15576	12.8
305.18970	19.1
307.17026	16.6
307.20413	13.8
309.14935	9.6
315.17172	8.5
317.15100	9.7
319.16705	10.7
321.18335	21.2
322.19333	12.9
323.20099	16.0
329.18970	9.2
333.18427	23.4
337.18115	12.5
339.19482	11.1
343.16562	18.5
345.14651	9.8
345.18555	9.7
347.20178	12.7
349.17926	12.5
351.19653	12.7
357.18207	20.8
361.17920	30.4
363.19580	14.6
373.17700	8.6
375.19098	23.7
379.18961	27.2
385.17712	15.1
393.20352	20.5
397.20053	16.1
399.25076	8.2
403.18930	34.1
411.21497	9.9
419.18521	23.2
421.20032	90.5
423.25430	11.9
437.19220	18.2
439.20538	84.6
441.26495	11.3
455.20612	13.6
457.22238	34.9
481.22226	13.8
499.23129	28.3
525.24896	16.0
585.29688	28.0
603.30859	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	603.2804
Annotation	Oxidized dinoflagellate luciferin
Peak:m/z	Relative Intensity
53.03938	14.6
54.35166	7.3
54.50468	7.6
54.99719	7.1
55.01860	9.4
55.05507	23.5
64.87753	7.2
67.05495	20.6
69.03411	24.1
69.07059	8.9
77.11848	7.5
79.05490	25.9
81.07060	22.3
83.04971	35.8
84.10072	8.0
85.02910	11.0
85.06523	8.8
90.54028	8.6
91.05504	57.1
93.07054	42.7
95.04963	30.9
95.08637	18.7
97.06535	15.1
100.16072	7.5
103.05493	47.9
105.03403	59.1
105.07042	67.1
107.04936	17.7
107.08585	34.9
109.02863	8.6
109.06515	18.7
109.10204	12.0
111.04339	8.3
115.05442	20.4
117.07011	35.7
119.04960	9.6
119.08583	83.3
121.06477	25.7
121.10181	24.1
128.06250	18.7
129.06987	19.8
131.04932	100.0
131.08560	47.8
133.06520	45.2
133.10136	41.0
135.08057	25.3
137.09665	9.3
142.07800	13.9
143.08560	40.3
145.06511	26.4
145.10120	37.8
147.08028	41.6
149.09636	21.7
155.08563	27.4
156.09332	24.8
157.10141	82.4
159.04422	11.5
159.08083	29.9
159.11713	63.7
161.06067	42.4
161.09625	28.8
163.07497	18.8
165.07074	9.7
165.09109	14.9
167.08533	22.1
169.04996	8.7
169.10126	42.4
170.10938	20.4
171.07999	13.8
171.11693	87.6
173.06049	9.4
173.09596	31.8
173.13306	16.0
175.07549	24.4
175.11198	15.7
177.09140	11.7
179.08556	18.9
181.10126	28.2
183.08047	11.0
183.11740	64.8
185.09598	19.0
185.13364	46.2
187.11205	20.1
189.09125	15.7
189.12735	11.8
192.09460	9.3
193.10184	17.0
194.10867	12.7
195.11726	32.2
196.12289	8.6
197.09615	30.3
197.13251	35.0
199.11215	53.8
201.12779	23.3
203.10654	11.4
206.10878	19.4
207.11728	33.6
208.12425	15.4
209.13281	25.7
211.11147	34.4
213.12744	51.6
215.08630	9.0
217.12308	8.4
219.11842	14.5
220.12392	15.8
221.13254	31.7
223.11221	18.7
223.14775	15.7
225.12718	23.7
227.10605	16.9
227.14308	13.2
229.12244	23.1
230.10896	12.6
231.11719	15.6
231.13765	17.9
233.09683	12.1
233.13271	27.3
233.15372	17.2
234.14194	10.9
235.11195	13.7
235.14825	21.0
237.12744	20.4
237.16370	10.7
241.12236	10.9
243.11789	13.2
243.13857	12.2
244.12354	15.6
245.13248	19.9
246.13876	13.7
247.11128	10.9
247.14917	15.7
251.14255	22.8
257.13235	19.4
258.14096	13.6
259.14948	10.4
261.12616	18.2
261.16406	10.9
271.14944	20.1
275.14438	12.2
275.17764	14.1
277.12048	11.1
279.13675	14.6
283.14905	11.2
285.16302	16.7
287.17935	12.8
288.14890	9.8
291.13586	10.6
301.15973	9.8
303.13907	12.7
303.17404	16.9
305.15292	11.8
313.15720	10.9
315.17230	11.5
317.15204	17.4
317.18924	11.3
323.20197	10.6
329.15292	22.1
329.18967	13.0
333.18442	24.1
335.16275	15.4
343.16931	19.4
345.18546	20.2
347.20111	10.1
357.18552	20.3
361.17871	17.8
363.19791	14.4
373.17856	24.9
375.19559	24.9
377.17242	12.8
385.17896	11.8
387.19638	11.8
391.18991	25.3
393.20596	22.3
395.18469	10.1
403.19092	52.4
409.19653	25.5
411.21448	19.1
419.18286	16.9
421.20169	99.9
437.19565	30.1
439.21057	65.6
449.19461	26.2
457.22159	40.0
467.20401	25.9
485.21777	52.5
499.23099	15.0
603.26141	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	603.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21169	5.0
53.03946	6.7
55.05514	56.6
57.07069	9.0
67.05483	11.1
79.05484	24.7
81.03422	7.7
81.07053	24.4
83.04981	87.5
91.05487	33.8
93.07047	49.4
95.04959	21.1
95.08604	27.2
98.20709	14.1
103.05502	11.4
105.03385	23.0
105.07031	57.0
107.04984	9.2
107.08601	27.5
109.06502	14.3
110.06697	5.8
115.05460	11.1
117.07027	16.9
119.04976	5.6
119.08591	64.0
121.06502	21.2
121.10161	18.5
123.08048	13.8
128.06186	7.8
129.07004	17.3
131.04922	22.6
131.08601	34.8
133.06497	32.9
133.10120	21.9
135.08078	25.3
137.05981	7.7
141.06960	6.8
142.07745	13.9
143.08560	40.1
145.06485	8.8
145.10191	33.3
147.08058	26.2
149.05911	7.7
149.09645	53.0
151.07538	8.3
153.06934	6.9
155.08521	25.7
156.09332	22.7
157.10150	91.2
159.08038	22.5
159.11688	79.1
161.05995	23.8
161.09648	15.5
163.07568	9.8
165.07043	7.7
167.08533	7.1
169.10133	42.8
170.10889	14.3
171.08047	12.0
171.11691	100.0
173.09618	18.0
173.13268	25.4
175.07510	9.7
175.11124	7.0
177.09114	7.3
179.07068	12.1
179.08507	9.9
181.10159	14.7
183.11703	78.0
184.12471	9.8
185.09653	20.4
185.13234	44.1
187.11176	21.6
191.10680	6.6
193.08539	11.2
193.10190	13.1
195.11719	20.5
197.09599	16.4
197.13280	17.3
199.11238	28.0
201.09056	6.9
201.12822	21.0
206.11052	7.3
207.11707	21.0
209.09686	10.7
209.13248	18.2
211.11110	14.8
213.12741	13.7
215.14304	6.7
217.10201	9.2
217.12189	7.6
219.11710	13.2
219.13626	7.2
220.12500	14.0
221.13220	26.9
223.11223	11.4
223.14841	11.9
225.12805	7.1
227.10722	15.3
228.67937	7.1
229.12257	23.2
231.11760	17.4
231.13759	16.1
232.12489	14.0
233.13263	15.9
233.15373	27.0
234.10411	8.2
235.11177	8.4
235.14827	20.7
237.12796	8.8
237.16431	7.2
243.13857	15.4
244.12599	13.5
245.13225	16.4
245.15459	17.3
246.13951	14.6
247.14835	20.2
248.15611	7.7
249.12827	8.8
249.16502	29.3
251.10791	7.0
251.14174	7.8
258.14008	8.8
259.14865	15.9
261.16559	17.1
262.13489	11.7
263.14407	7.2
263.18018	8.4
265.15814	6.6
267.68359	6.1
269.13123	7.3
270.42175	5.7
273.16391	8.8
274.13565	7.6
275.14447	12.3
275.17789	8.9
277.16000	14.3
279.17111	7.9
285.12680	7.8
287.14166	10.1
289.15759	17.4
291.13577	5.8
291.17520	16.7
301.15710	13.1
303.13657	7.4
303.17349	14.1
305.15396	9.9
305.18817	8.5
307.16968	10.9
309.18338	8.7
315.17316	9.1
317.15387	12.7
317.18781	6.9
319.16739	14.4
321.18491	16.0
329.15353	8.3
331.16852	15.8
333.18393	10.8
335.16147	13.1
335.20013	8.7
337.17944	9.8
343.16870	8.8
345.18634	9.3
347.16476	14.3
349.17935	12.9
351.19412	12.2
353.17416	9.7
361.17978	21.5
363.19589	14.0
365.17557	22.4
367.19049	9.7
373.18094	8.0
375.15707	11.2
377.17490	18.2
379.18774	22.8
382.74670	6.3
383.18100	7.2
389.17282	20.2
391.18890	13.7
395.18134	12.5
397.19897	9.6
407.18549	25.7
409.20120	16.9
417.16827	11.0
421.20050	25.0
423.22055	8.9
425.19437	12.9
427.21100	18.2
435.17578	12.0
437.19644	26.6
439.21164	52.9
445.22198	15.8
449.19580	26.1
453.19608	9.1
453.26575	16.2
455.20432	7.9
457.21930	23.9
467.20618	47.7
485.21796	47.0
503.22888	32.5
571.28711	7.9
585.27295	5.9
603.24066	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	603.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.9
55.01873	14.1
55.05512	27.0
57.03443	6.1
65.03943	4.9
67.05511	21.3
67.34213	5.0
69.03438	15.5
69.24420	28.0
69.24846	15.3
74.71400	4.6
79.05491	37.9
81.03424	19.2
81.07071	31.8
83.04992	31.2
83.08676	7.2
84.90471	4.7
85.02907	7.6
85.06566	5.2
91.05500	42.8
93.07061	27.4
95.04974	31.9
95.08605	29.0
95.63579	4.4
97.06523	7.1
103.05489	26.5
105.03391	22.6
105.07038	83.2
106.19749	5.5
107.04984	11.5
107.08572	29.9
109.02896	10.6
109.06519	15.1
109.10162	9.2
115.05470	18.8
117.07048	24.1
117.66135	5.1
119.04921	11.2
119.08580	76.0
121.06496	13.5
121.10151	12.7
123.08091	11.3
126.05520	8.2
128.06253	15.1
129.07040	21.1
131.04951	28.8
131.08577	37.5
133.06500	45.1
133.10167	30.3
133.83171	4.8
135.08075	13.4
135.11732	6.5
137.06047	11.6
139.03934	5.3
141.07010	18.1
142.07794	14.8
143.04926	5.7
143.08559	43.5
144.09204	5.1
145.06491	26.0
145.10109	32.9
147.08031	35.2
147.11665	8.6
149.05951	12.2
149.09601	23.3
151.07550	10.0
153.07014	5.3
155.08580	10.4
156.09392	25.8
157.06549	10.4
157.10149	80.2
158.10901	6.6
159.04446	9.9
159.08066	34.5
159.11707	64.4
161.05992	59.7
161.09637	16.1
163.07590	16.9
165.06970	11.5
169.10135	43.6
170.10916	14.0
171.08076	19.8
171.11687	100.0
172.08730	6.9
173.05971	10.9
173.09641	22.7
173.13306	18.3
175.07538	28.4
175.11241	11.5
177.09172	10.5
179.07022	22.9
179.08508	11.8
181.10086	15.3
183.08072	15.7
183.11737	52.7
184.08847	8.2
185.06099	5.8
185.09674	23.7
185.13245	51.5
186.10289	6.1
187.03937	10.6
187.07500	11.2
187.11220	24.5
189.05540	6.5
189.09186	12.9
191.10583	5.6
192.09326	9.3
193.08546	11.8
193.10143	18.3
193.11929	5.3
194.10710	5.8
195.08046	6.4
195.11679	18.0
196.12305	5.2
197.09583	27.5
197.13307	12.2
198.10464	5.2
199.07584	11.5
199.11195	34.5
201.12802	32.6
203.10655	8.2
204.09380	5.4
205.04808	6.8
205.10211	11.5
206.10902	7.6
207.11674	16.4
207.13597	5.5
209.09612	9.7
211.11150	19.8
211.14799	5.2
213.09145	16.2
213.12761	22.1
215.10645	17.1
217.08569	7.0
217.10388	7.1
217.12178	8.0
219.11769	12.5
219.13777	6.4
220.12505	6.3
221.13286	9.3
223.11259	9.4
225.08992	12.0
225.12859	9.5
227.10788	28.5
229.12218	23.3
230.10997	6.0
231.11711	12.1
231.13860	28.8
232.12372	9.1
233.13301	16.6
233.15443	7.3
235.14798	8.1
237.09071	5.7
237.12607	8.8
239.10751	7.2
241.12231	7.8
242.10802	6.3
243.09821	6.7
243.11873	7.1
243.13930	10.9
245.08057	44.7
245.13403	10.1
245.15321	23.4
246.13884	7.3
247.11240	9.1
247.14806	16.5
249.12982	6.5
257.13449	6.9
258.14163	6.7
259.15131	7.4
261.09018	6.0
261.12613	9.4
262.13608	6.3
265.12137	7.4
270.13971	8.8
271.14828	6.2
272.15479	6.2
273.15988	4.9
275.14148	8.4
285.12494	8.2
287.12985	21.6
287.17841	5.9
299.14157	11.3
300.14832	5.6
301.15714	8.7
303.13797	5.9
303.17361	7.7
305.13895	40.2
305.18997	7.2
311.14297	8.3
313.15610	6.3
315.17444	12.2
316.14456	6.8
317.15222	15.3
319.16858	13.7
319.26340	7.3
321.18546	7.5
329.14581	9.2
331.16830	11.2
333.18378	8.2
335.16351	11.8
343.16928	17.4
345.14911	12.4
345.18616	6.5
347.16434	9.6
349.17892	9.6
359.16354	12.1
361.18005	16.9
363.19916	6.6
371.16144	6.2
375.19647	13.3
377.17252	9.7
385.17709	11.2
387.14960	12.4
388.15305	7.3
389.16177	45.5
391.18970	14.8
399.15973	8.6
403.19113	27.3
405.16565	10.7
407.17511	22.5
409.20047	13.9
417.17087	12.1
419.18497	25.3
421.19937	22.8
431.18491	9.1
435.17822	9.1
437.19824	39.2
439.20981	13.4
447.17838	9.9
449.19379	37.8
455.20526	20.7
467.20673	32.1
481.22092	12.9
483.19916	9.8
485.21793	54.4
503.22980	11.1
549.21484	8.3
555.21399	9.7
567.22522	15.8
567.74207	5.3
585.27057	8.5
603.24237	10.2
603.32648	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	603.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.6
53.03943	2.1
55.01877	1.4
55.05500	2.6
56.10979	0.6
57.03420	0.6
67.05508	4.5
67.54353	0.6
69.03429	1.6
69.07052	2.2
70.82958	0.8
70.83294	1.2
71.04990	1.3
77.03941	1.4
79.05501	5.3
81.03411	2.4
81.07076	4.3
83.04987	3.4
83.08601	0.8
85.02901	0.7
91.05481	9.0
93.07055	4.7
95.04976	9.4
95.08610	2.5
97.02891	1.3
97.06538	1.1
103.05478	47.1
104.57102	0.6
105.03389	3.8
105.04514	1.4
105.07053	9.0
107.04967	2.8
107.08588	4.2
109.02882	1.3
109.06526	3.1
109.10131	1.2
111.04451	1.3
115.05449	3.2
116.06287	0.8
117.07027	4.9
118.07737	0.7
119.04929	1.1
119.08592	7.3
121.06506	3.9
121.10154	1.9
123.04414	1.9
123.08060	1.8
125.06028	0.9
125.09660	0.9
128.06230	2.5
129.07002	3.9
129.64886	0.7
130.07805	1.1
131.04935	100.0
131.08574	6.3
133.06490	4.4
133.10110	3.9
135.04437	1.0
135.08081	2.8
135.11656	0.8
137.05986	1.4
137.09627	1.1
141.06992	3.0
142.07787	2.2
143.08580	5.8
145.06509	5.0
145.10130	6.2
146.07198	0.8
147.08003	4.2
147.11700	1.2
148.08809	0.7
149.05922	1.1
149.09621	2.9
151.07549	1.0
153.06981	2.0
154.07826	1.0
155.05888	0.7
155.08559	3.3
156.08171	0.6
156.09346	3.7
157.06496	1.8
157.10138	6.3
158.07249	1.5
159.08055	7.1
159.11722	1.9
160.08859	0.9
161.06042	3.1
161.09666	3.8
163.03957	0.8
163.07587	2.2
163.11143	1.0
165.07025	2.7
165.09177	1.2
166.07828	1.1
167.08589	2.7
168.09341	0.8
169.06511	1.0
169.10094	4.5
170.10918	0.8
171.08017	4.3
171.11690	5.9
172.08871	1.4
173.05949	1.5
173.09657	7.8
173.13326	1.4
175.07549	4.0
175.11218	2.2
177.05457	1.1
177.09099	4.3
179.07141	0.8
179.08600	2.3
180.09380	1.5
181.06509	1.4
181.10121	2.7
182.10976	0.8
183.08102	2.9
183.11736	5.3
184.08904	1.7
185.06015	1.0
185.09625	4.4
185.13252	2.0
186.10464	2.0
187.07539	5.4
187.11139	4.2
189.05453	1.5
189.09135	3.5
191.08687	0.7
191.10686	1.5
192.09367	1.1
193.10172	2.1
193.12326	0.8
194.10896	0.9
195.08067	1.6
195.11736	4.1
196.08839	1.8
197.09636	11.7
197.13295	2.0
198.10434	2.0
199.07603	2.7
199.11192	7.4
199.14900	0.7
201.09091	4.0
201.12798	2.3
203.08730	1.0
203.10664	1.7
205.08521	1.0
205.10252	1.8
206.10910	1.9
207.11751	4.0
208.08864	0.9
208.12448	1.2
209.09676	1.7
209.13283	2.2
210.10406	1.9
211.11195	3.6
213.09125	7.1
213.12787	2.4
214.09874	1.3
215.10638	7.5
216.09248	0.7
217.08633	2.3
217.12152	1.4
219.10031	0.9
219.11841	1.1
220.12456	1.2
221.09755	1.5
221.11464	0.7
221.13304	2.3
222.10562	0.8
223.11221	3.8
223.14832	1.8
225.09135	2.0
225.12741	2.4
226.09843	1.2
227.10713	2.2
227.14217	0.8
229.12299	2.5
230.10945	1.6
231.09882	1.0
231.11742	1.9
231.13794	1.4
232.12512	1.3
233.09642	1.1
233.13387	1.7
234.14116	0.6
235.11157	2.2
235.14850	1.3
237.12895	1.7
237.16393	0.8
239.10658	1.9
239.14349	1.3
241.12244	9.2
243.10085	1.7
243.13921	1.8
244.12474	1.2
245.07994	1.2
245.13481	1.1
246.14166	1.2
247.11176	1.7
247.14897	1.6
249.12802	3.3
249.16582	0.9
251.10706	1.2
251.14359	1.5
253.12357	1.4
253.16014	1.1
255.11682	0.9
255.13943	0.9
257.11420	1.0
258.13794	0.7
259.10864	1.1
259.13223	8.6
260.11887	1.2
261.12949	1.6
261.16653	0.8
262.13583	1.3
263.10614	0.7
263.14380	2.6
265.15750	0.8
267.13855	1.0
275.14291	1.5
276.15079	0.9
277.12219	1.2
277.15854	1.8
279.14038	1.5
279.17398	1.4
281.15411	0.8
285.12479	0.8
289.15793	2.1
291.13937	1.1
291.17523	1.2
293.15250	1.5
295.16949	1.0
297.12524	0.8
301.14905	0.7
303.13702	1.2
305.15335	1.1
307.13394	1.0
307.16855	1.4
308.17841	0.9
311.16354	1.5
317.15256	1.5
319.16895	1.8
321.14914	1.2
321.18436	1.0
325.17978	1.9
329.15280	1.3
331.16959	1.2
333.14816	1.0
333.18472	1.1
335.16409	1.3
336.17151	0.8
337.17987	5.5
345.18546	1.5
347.16483	1.1
353.17529	4.4
354.18674	1.5
355.19128	1.4
357.14896	0.9
359.16312	0.8
361.13940	0.9
363.19922	0.7
365.17648	1.1
371.16339	0.7
373.18018	2.3
377.17545	2.2
385.18195	0.9
387.14545	0.9
389.17502	7.1
391.19189	2.0
393.16989	2.1
395.18573	1.1
401.17404	2.8
403.18958	1.6
407.18353	2.0
409.20209	1.4
411.17645	0.6
419.18314	4.7
437.19598	17.4
455.20724	9.3
485.23132	1.7
501.23032	1.5
519.23523	1.0
543.29834	0.9
567.22656	0.9
585.24475	15.6
603.25482	18.8
604.25757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	3.2
53.03934	7.3
55.01873	14.4
55.05497	8.6
57.03422	7.0
63.35202	2.4
65.03928	4.2
67.05511	17.1
68.91220	2.7
69.03420	6.8
69.07059	6.3
69.22490	28.1
69.87550	2.6
73.70892	2.6
77.03950	3.3
79.05493	28.4
81.03433	16.5
81.07059	20.4
83.04980	15.6
85.02888	7.4
91.05476	30.8
93.07066	19.9
95.01311	4.6
95.04967	26.9
95.08595	14.9
97.02866	4.4
97.06536	4.7
97.10146	2.7
103.05450	10.1
105.03407	21.9
105.06387	3.9
105.07036	50.4
107.04935	12.4
107.08586	13.8
109.02853	3.2
109.06509	20.0
109.10115	4.5
111.04432	6.0
115.05450	13.1
116.06191	4.0
117.07008	20.8
119.04929	8.4
119.08595	26.0
121.02879	5.2
121.06512	14.0
121.10146	3.8
123.04441	8.2
123.08055	4.5
128.06218	8.5
129.07008	22.3
131.04898	13.7
131.08553	42.1
133.06496	41.8
133.10117	12.7
135.04398	4.9
135.07999	10.0
137.05984	15.0
139.03906	5.4
141.06975	10.7
142.07759	9.8
143.08557	28.5
145.06487	30.9
145.10120	24.4
147.04384	7.4
147.08075	17.1
149.05956	11.6
149.09630	6.7
151.07532	7.0
153.05495	3.5
153.06950	5.3
154.07773	5.4
155.08551	15.5
156.09334	17.8
157.06497	12.0
157.10133	26.7
158.07224	6.1
158.10867	6.1
159.04453	3.9
159.08058	39.5
159.11703	16.6
161.05980	41.8
161.09637	10.7
163.07602	16.7
163.11221	3.3
165.05475	3.2
165.06906	4.1
165.09152	4.0
166.07787	4.7
167.08531	8.3
168.09279	6.2
169.06480	9.2
169.10092	17.7
171.08032	14.1
171.11687	32.6
173.05966	8.5
173.09599	15.4
173.13274	14.3
175.07515	9.4
175.11136	3.8
177.05548	3.3
177.09074	4.9
178.07864	3.0
179.07016	13.1
179.08522	7.0
181.06561	3.0
181.10097	8.9
183.08072	8.4
183.11670	17.7
184.08786	6.0
185.05989	6.5
185.09613	25.2
185.13214	10.2
186.10347	6.2
187.07521	11.4
187.11134	9.3
189.05544	4.9
189.09082	10.5
191.07091	3.8
191.10626	4.3
192.09319	5.3
193.10127	9.9
195.08075	7.7
195.11729	6.6
197.09621	22.3
197.13202	7.2
198.10390	4.4
199.07523	16.3
199.11176	39.5
200.11902	5.2
201.09091	6.8
201.12738	53.4
203.06949	5.7
203.08636	4.0
203.10622	5.1
205.08578	6.7
206.11066	3.1
207.11684	10.3
209.09541	13.2
209.13197	4.6
210.10233	3.8
211.07443	4.2
211.11151	8.1
213.05467	10.2
213.09058	16.6
213.12733	5.7
215.10652	5.6
217.08582	11.4
219.11839	4.1
220.12515	5.0
221.13306	7.3
222.13765	2.8
223.11188	7.8
223.14633	4.6
225.09155	15.1
225.12712	4.9
227.07100	3.7
227.10704	45.7
227.12697	2.7
229.12180	7.2
230.05695	5.2
231.11754	6.6
231.13782	5.9
232.12415	4.9
233.09514	3.5
235.09534	4.7
235.14911	3.1
237.09048	4.9
237.12738	5.7
239.10437	6.5
241.08510	4.3
241.12209	6.5
243.10020	3.7
243.13878	5.9
245.05791	5.4
245.08087	76.9
245.11620	4.8
246.13956	3.9
249.11177	5.1
251.10793	3.7
255.10057	7.2
255.13785	6.3
257.08014	5.6
257.11774	7.6
261.12933	4.9
261.16064	3.5
263.17868	3.1
273.12628	3.7
275.14233	3.4
277.15768	3.2
287.12698	41.6
291.17422	6.0
303.12381	7.0
303.16568	3.4
305.10684	5.6
305.13831	73.8
305.18854	4.0
316.14682	3.0
317.15402	4.3
321.18173	4.7
329.13895	25.2
331.16885	6.7
343.16977	4.4
347.16437	5.0
357.13571	4.4
359.15857	5.0
359.20111	3.2
361.17639	6.0
379.18988	5.1
387.14771	12.5
388.15186	8.4
389.15945	100.0
403.18964	8.2
405.16147	6.7
407.17044	36.4
409.20096	6.5
419.18347	4.0
421.20169	6.5
429.17404	4.6
439.20999	6.8
447.17990	11.7
453.19077	3.8
465.19189	14.3
479.20590	3.6
481.22211	22.3
483.20010	16.6
507.20233	8.6
549.21088	24.1
555.22345	14.2
567.22076	17.6
585.23303	10.6
585.31201	6.3
603.24048	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	602.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.7
55.05510	10.5
67.05505	11.1
69.03424	3.4
69.07067	6.3
71.05000	5.3
71.56009	3.7
72.08155	12.0
79.05490	13.6
81.03423	2.8
81.07063	50.5
83.05000	19.4
85.06541	3.7
91.05482	18.2
93.07056	15.0
95.04977	6.5
95.08615	13.9
96.25045	2.8
99.08059	2.9
103.05454	4.4
105.07037	23.4
107.04938	5.1
107.08593	19.4
107.15967	2.5
109.06529	25.0
109.10169	8.7
111.08007	2.5
115.05470	4.5
117.07022	11.9
119.08585	25.5
121.06556	6.0
121.10165	12.7
123.08041	9.5
123.11723	3.5
125.09666	3.7
128.06273	4.1
129.06976	7.5
131.04933	11.2
131.08568	14.8
133.06528	4.1
133.10159	14.7
135.08084	22.1
135.11681	6.3
137.09579	12.2
138.57648	2.4
141.07008	3.8
142.07764	7.6
143.08588	15.8
145.06456	6.2
145.10153	24.6
147.08038	17.8
147.11684	11.6
149.09622	25.2
151.11240	4.2
155.08569	11.1
156.09276	5.1
157.10146	27.5
159.08058	7.8
159.11729	20.9
161.09645	10.9
161.13243	4.3
163.07617	7.4
163.11177	5.8
169.10141	7.7
170.10785	3.0
171.08005	3.5
171.11691	17.6
172.12218	3.6
173.09668	13.9
173.13264	7.9
175.11223	10.1
175.14937	2.7
177.12790	5.7
181.10173	6.8
183.11702	17.2
184.12379	3.1
185.09621	4.2
185.13280	15.6
187.11177	8.7
187.14870	5.0
189.12749	7.7
191.14378	3.7
193.10139	6.2
195.11693	10.3
197.13251	9.5
199.11227	9.7
199.14861	7.0
201.12799	16.8
203.14368	6.4
207.11597	4.7
209.13242	4.1
211.11771	3.1
211.14816	6.3
213.12762	9.6
215.14403	10.0
217.12346	3.1
221.13290	6.6
223.11072	2.7
223.14833	5.7
225.12715	6.6
225.16403	8.0
226.17177	2.8
227.17920	19.8
229.15813	5.4
233.13257	3.9
235.14796	4.8
239.14288	4.6
241.15913	5.5
243.13788	7.1
243.17387	15.5
245.15428	4.1
245.18999	3.6
247.14745	3.3
253.15906	3.5
257.15479	3.2
257.19165	2.9
261.16522	2.7
267.17496	3.6
269.18997	6.1
285.18506	6.3
287.20062	11.9
289.19431	2.9
305.19315	3.6
307.20523	9.9
309.22253	5.2
325.21680	6.3
327.23373	5.2
349.21588	7.0
351.23151	9.3
365.24713	5.8
375.23160	6.9
377.24820	15.4
393.24341	20.9
395.25812	33.7
447.29187	3.8
449.30606	6.6
453.26382	86.6
465.29941	7.1
467.31158	4.4
495.31088	100.0
502.25076	3.8
525.31812	5.3
602.35748	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	602.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91027	4.0
55.01866	4.6
55.05499	12.0
59.04997	3.9
67.05500	7.5
69.03419	7.7
69.07055	5.1
71.04972	3.8
72.57432	3.4
79.05480	15.7
81.03416	8.0
81.07060	48.2
83.04976	11.9
83.08600	4.2
91.05477	25.1
93.07034	12.7
95.04971	7.4
95.08624	12.9
103.05503	6.5
105.07032	22.4
107.04941	7.1
107.08607	29.7
109.06507	26.1
109.10159	9.3
117.07011	9.1
119.08587	30.1
121.06470	8.3
121.10144	13.9
123.08055	8.2
129.07004	17.2
131.04921	14.9
131.08572	23.9
133.10162	21.1
135.08073	30.6
135.11726	7.8
137.09647	6.6
142.07767	5.9
143.08591	19.0
145.06473	9.9
145.10115	36.6
147.08073	35.3
147.11699	9.6
149.09596	22.4
151.11166	5.2
155.08545	10.5
156.09337	9.3
157.10162	37.0
159.08054	23.7
159.11728	19.4
161.09641	20.6
163.07513	28.2
163.11150	8.4
167.08563	4.8
168.09335	5.1
169.10135	17.8
170.10786	7.3
171.08052	7.3
171.11662	32.6
173.09659	17.2
173.13283	7.9
175.07518	8.8
175.11162	7.9
181.10139	9.6
183.11673	22.7
185.09665	6.7
185.13245	27.6
187.11205	16.4
187.14767	5.5
189.12717	6.9
193.10057	5.7
193.12276	5.1
195.11722	12.8
197.09642	4.7
197.13268	15.2
199.11183	16.0
199.14743	4.9
201.12743	15.0
203.14355	5.0
209.13258	7.1
211.11206	4.3
211.14798	6.0
213.12738	18.4
215.14333	9.3
217.12192	5.1
223.14755	5.9
225.12810	8.0
225.16357	13.0
227.14252	7.0
227.17993	10.8
231.13878	6.7
239.14264	6.9
241.16046	7.9
243.13812	4.7
243.17400	29.7
245.15376	14.4
245.18994	5.5
249.41913	4.4
259.13263	4.7
263.14267	4.8
269.18906	5.4
279.93832	4.0
285.18518	9.6
287.20343	7.4
291.16098	4.3
307.20734	5.6
325.21683	9.2
333.22015	5.3
347.23611	5.8
349.21530	8.8
351.23199	10.1
359.20410	7.1
365.24759	5.7
375.23279	8.5
376.25513	5.9
377.24762	8.9
385.58823	4.0
393.01517	4.6
393.24374	26.6
395.25781	13.7
407.21915	5.8
419.21960	11.8
421.26456	4.2
435.25308	5.5
437.23291	20.9
449.30667	6.2
453.26355	100.0
455.24170	9.6
465.30127	6.4
495.31055	56.1
525.28632	9.1
539.30310	5.6
557.31256	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	602.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.4
55.01870	5.2
55.05500	10.5
67.05498	18.6
69.03425	9.3
69.07070	9.5
69.42908	4.2
71.08624	4.6
71.55322	5.5
74.09714	9.8
79.05514	19.9
81.03428	9.3
81.07063	71.2
83.04985	15.0
83.08607	4.8
84.47810	4.1
88.65206	4.4
91.05482	30.5
93.07034	20.1
95.04990	11.1
95.08610	21.3
97.06556	4.6
103.05472	7.4
105.03410	32.9
105.07043	27.9
107.08590	18.8
109.06515	36.1
109.10176	8.0
111.93552	3.9
115.05430	5.6
117.07022	17.2
119.08585	27.7
120.85825	3.9
121.06452	5.6
121.10133	14.5
123.08044	5.6
127.60233	3.9
128.06166	5.4
129.06990	11.3
131.04929	16.9
131.08585	24.2
133.06506	8.5
133.10124	17.4
134.10532	4.4
135.08107	9.1
135.11734	4.5
142.07697	6.4
143.08571	23.5
144.09328	6.4
145.06482	8.1
145.10129	23.7
147.08026	21.5
147.11711	9.2
149.09593	13.0
151.07565	4.7
155.08548	8.3
156.09338	8.5
157.10138	29.7
157.68272	3.9
158.10629	4.8
159.08044	12.2
159.11716	31.7
161.09590	9.9
161.13344	4.9
163.07497	5.5
169.10100	14.0
170.10774	5.2
171.08051	6.3
171.11757	24.8
172.12154	6.5
173.09616	9.1
173.13277	15.8
175.11145	8.7
179.08527	5.5
181.10141	5.6
182.10826	5.2
183.11699	24.6
184.12148	4.0
185.09613	4.5
185.13280	17.7
187.11215	31.9
187.14789	8.8
195.11703	14.4
197.13280	17.8
199.11154	5.5
199.14850	9.5
201.12787	23.1
203.14314	8.2
207.11681	8.2
209.13162	6.4
210.13872	5.7
213.12767	17.3
215.14342	13.4
221.13255	7.0
223.14771	9.1
225.16377	11.6
227.14328	19.8
233.13100	6.6
234.01833	4.1
235.14777	8.0
235.55388	4.0
241.15875	12.9
250.14369	7.0
251.14539	5.6
255.17429	4.7
267.17459	10.0
269.19052	5.3
285.18466	31.2
291.56467	4.1
305.18930	7.1
307.20563	8.2
321.21722	5.5
333.22174	11.4
347.23572	4.8
349.21384	4.7
351.23099	8.2
357.22070	5.3
375.23273	24.4
393.24179	40.9
419.22281	4.4
420.22827	6.3
435.25510	7.8
439.04272	4.5
447.29031	6.6
453.26447	100.0
465.29950	5.1
480.24619	5.4
602.27924	26.8
602.41321	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	602.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01852	0.6
63.37769	0.5
68.99760	0.4
69.89149	2.4
78.04697	1.3
79.05463	1.9
81.61918	0.5
85.02887	1.6
91.05473	1.6
93.07066	0.5
97.02876	0.6
98.20752	0.7
103.05460	3.4
105.07039	4.3
106.04147	1.0
107.04968	5.2
112.30480	0.5
115.05454	1.6
117.06987	1.1
121.06532	1.8
123.04439	3.3
124.05180	2.7
129.06975	0.8
131.04930	6.4
131.08495	0.7
133.06485	4.1
135.08069	1.3
136.06143	0.6
137.06024	2.6
139.03859	0.7
141.06987	0.8
145.04897	0.6
145.06519	2.8
147.04353	1.4
151.03871	0.7
151.07581	3.9
152.04692	1.0
153.05435	1.0
158.07257	0.6
159.08054	1.1
161.05988	7.0
163.07544	11.8
163.08806	1.0
167.07045	100.0
173.05965	1.5
173.09727	0.8
175.07518	2.3
177.09113	2.2
179.07014	3.5
180.08730	0.6
181.08620	4.6
187.07532	2.1
192.07848	0.8
193.08609	15.6
193.10303	1.0
201.09181	1.8
205.08492	0.7
215.17876	0.6
217.08441	0.8
219.10162	2.5
233.11731	3.3
237.11203	3.0
251.12816	1.2
263.10675	1.1
308.54437	0.6
323.12701	1.5
333.95233	0.5
346.86719	0.5
355.15424	11.1
387.18060	11.2
405.19092	30.7
408.19006	2.8
423.20218	1.2
452.32578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	1.3
53.03948	3.8
55.01902	1.2
55.05512	23.1
56.33031	1.3
57.03439	3.0
57.07081	6.5
59.05004	1.6
65.03942	4.3
67.05507	57.7
69.03433	2.2
69.07067	33.5
71.04997	2.6
71.08632	1.7
71.56750	1.3
77.03863	1.3
79.05495	35.1
81.03438	1.1
81.07058	64.1
83.04993	3.6
83.08624	21.8
85.06570	2.6
85.10178	1.1
89.06037	2.0
91.05484	41.1
93.07047	36.7
93.07631	2.0
95.04982	4.8
95.08610	61.2
97.06541	5.8
97.10173	14.0
99.08092	1.5
105.04527	1.9
105.07036	32.6
107.05031	1.8
107.08595	22.2
109.05792	1.0
109.06534	4.2
109.10161	20.8
109.68562	1.0
111.08105	1.9
111.11728	4.8
115.05461	2.3
117.07021	13.4
119.08581	27.6
121.10152	22.9
123.08051	5.8
123.11725	5.9
125.06052	1.2
125.09642	1.7
128.06247	1.9
129.06998	6.1
130.07800	1.9
131.08578	22.5
133.06558	1.2
133.10138	21.1
135.08066	3.7
135.11691	13.2
137.09642	4.2
137.13272	3.0
139.11176	2.2
141.07043	1.9
142.07779	2.1
143.08513	5.9
145.06628	1.3
145.10124	14.9
147.08081	5.3
147.11708	9.8
149.09621	2.2
149.13310	4.4
149.29289	1.0
151.07573	2.3
151.11131	1.8
153.12791	2.5
155.08543	2.3
156.09381	1.8
157.10135	7.9
159.08105	1.1
159.11703	9.0
161.09674	2.3
161.13240	6.3
163.11288	2.5
165.09116	10.7
165.12752	2.0
167.08615	1.3
169.10199	3.6
171.11690	7.1
173.13361	3.6
175.11198	2.1
175.14915	3.0
181.12315	2.6
183.11736	4.1
185.13315	2.4
187.11226	1.2
187.14824	1.6
193.12376	1.5
195.11673	1.6
197.13315	3.0
199.14854	1.2
203.14388	3.3
209.13390	1.1
211.14842	1.4
213.12852	1.2
217.19577	4.0
221.15359	18.7
222.15744	1.7
224.23795	1.0
233.15581	1.0
235.20692	2.8
239.17928	2.5
247.17044	1.6
257.19012	5.2
259.20703	1.5
275.20035	9.9
283.16956	1.3
314.11481	1.4
327.25473	2.0
331.22800	2.5
367.26340	1.1
441.29596	2.3
509.37424	1.1
521.36707	2.2
546.13495	1.1
583.43036	5.2
601.44574	100.0
602.45160	1.8
603.69202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45191	5.3
53.03923	9.7
55.05516	65.5
57.03428	9.6
57.07061	17.3
59.93044	6.1
62.20212	5.6
62.75321	5.6
63.28557	5.0
65.99906	5.3
67.05509	39.4
69.07072	56.5
71.08621	13.1
79.05503	37.5
81.07058	41.5
83.04997	7.6
83.08221	5.3
83.08623	36.9
89.06045	7.3
91.05482	53.1
93.07034	37.8
95.04962	9.3
95.08604	36.0
97.10179	32.7
105.07025	44.5
107.08599	26.0
109.06521	8.7
109.10159	10.8
115.05431	7.8
117.07027	28.9
119.08575	35.0
121.10148	19.5
123.08021	6.8
125.09605	8.5
128.06227	21.4
129.07001	23.9
130.07776	7.5
131.08578	68.8
133.10120	23.0
135.08043	8.9
135.11699	7.0
141.07002	9.2
143.08568	86.0
144.09309	6.2
145.06415	6.3
145.10132	82.6
147.08043	12.8
147.11662	10.3
155.08530	10.0
157.10138	28.3
159.11690	17.5
161.09599	9.3
169.10120	16.0
171.11681	16.5
173.13190	7.8
181.10167	9.4
183.11736	10.5
185.13289	13.1
195.11690	18.8
199.11185	6.5
227.17952	6.2
232.64674	6.0
237.16380	15.7
241.14334	8.5
244.72894	5.2
245.19035	8.5
255.17392	13.9
273.18472	51.0
311.25815	100.0
329.21106	11.2
347.22073	22.0
502.03714	6.1
583.43597	36.2
601.43799	15.3
601.54773	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	601.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74540	0.9
53.03947	2.7
55.01854	0.9
55.05515	6.9
57.07070	6.5
59.05004	2.1
60.02129	0.9
63.02375	1.0
67.05508	11.4
69.03435	7.3
69.07066	5.9
69.63001	1.7
69.63408	4.7
71.22225	0.9
74.05470	0.9
79.05490	10.2
81.03386	1.2
81.07062	18.1
83.04987	3.0
83.08617	4.0
85.06531	2.6
87.04468	1.6
91.05484	19.2
93.07049	30.9
95.04964	6.5
95.08614	15.7
97.06538	4.4
103.05444	1.5
105.07037	34.2
107.04973	1.2
107.08596	19.9
109.06522	6.1
109.10157	8.3
111.08063	1.6
115.05436	1.7
116.06239	1.2
117.07011	8.7
119.08588	35.5
120.08896	1.8
121.06503	2.9
121.10147	18.7
122.10477	1.1
123.08076	13.9
123.11687	1.6
125.05991	3.7
125.07622	1.0
125.09621	1.5
128.06238	3.8
129.07060	6.4
130.07841	1.1
131.08586	14.0
132.05678	1.0
133.06528	1.7
133.10149	16.9
134.10414	1.2
135.08043	7.7
135.11713	6.0
137.09621	9.4
139.07553	1.1
139.11101	1.2
141.06941	2.1
142.07791	5.0
143.08577	13.6
144.09308	3.8
145.06493	1.4
145.10124	24.7
146.10477	1.9
147.08061	19.0
147.11684	6.8
149.09631	5.0
151.07564	8.4
155.08580	4.7
155.10637	1.2
156.09377	5.3
157.10130	18.3
158.10760	2.0
159.08034	3.0
159.11694	12.8
161.09605	4.1
161.13277	5.7
163.11179	8.0
165.06969	2.3
165.09120	44.1
166.07709	0.9
167.08694	1.5
168.09293	1.2
169.10118	7.2
170.10797	3.3
171.11681	11.6
172.08948	1.4
172.12270	1.5
173.09631	2.4
173.13268	5.9
175.11124	3.1
175.14821	3.9
176.11574	1.2
177.09081	1.3
179.08603	3.2
179.10719	1.5
180.09291	1.5
181.10117	3.8
181.12268	5.2
182.10901	2.5
182.12587	1.6
183.11676	7.4
184.12431	1.2
185.09573	1.2
185.13196	7.1
187.11224	2.1
187.14828	3.5
189.12746	2.8
190.13422	1.6
191.10692	1.0
191.14293	1.6
193.10146	2.2
193.12172	1.2
194.10934	2.2
195.11678	5.6
196.12437	2.1
197.13283	7.6
198.13620	1.1
199.11288	2.3
199.14789	2.1
201.12718	1.3
203.14330	15.1
205.10138	1.1
206.10841	1.4
207.11659	3.5
207.13797	5.3
208.12242	1.5
208.14305	1.0
209.13277	5.3
209.15265	2.1
210.13980	1.8
211.11113	1.5
211.14841	3.7
213.12788	1.2
213.16333	2.2
215.14351	1.5
219.13739	1.5
221.15367	100.0
222.13850	1.6
222.15736	3.8
223.14851	2.2
224.15501	1.1
225.16385	1.1
227.14212	1.6
231.11591	1.0
233.13135	1.5
233.15393	1.3
234.16068	2.1
235.14749	2.8
237.16412	2.1
239.14294	1.1
247.14749	1.8
247.17030	2.0
253.15887	1.8
261.18631	1.6
263.17844	1.1
265.19614	1.4
271.16864	1.5
274.19254	1.2
275.19815	1.0
280.71689	0.9
283.20676	1.4
286.19324	2.2
287.20047	4.4
293.18848	1.3
297.18573	1.1
297.22040	2.1
299.19998	3.3
300.20694	1.8
301.21838	1.3
311.20001	1.3
313.21570	1.8
315.23212	1.1
325.21558	1.5
326.22095	1.3
340.23840	1.0
351.22995	1.5
352.23944	4.0
353.24326	5.6
364.94989	1.0
365.24713	2.6
367.26172	2.7
375.26984	1.6
378.25470	1.8
441.29785	1.9
491.35098	7.9
495.96271	1.0
503.36444	1.2
508.35248	1.5
509.36017	2.3
520.35358	1.6
521.35938	15.4
565.40057	1.8
583.41785	9.7
601.35315	3.3
601.42865	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	601.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.9
53.03927	5.0
55.05508	19.6
56.05844	4.0
57.07082	7.5
59.04984	4.8
65.03942	7.0
67.05510	35.0
69.03426	10.8
69.07073	18.9
71.04996	6.9
79.05491	31.9
80.05827	4.5
81.07053	39.9
83.04983	15.7
83.08610	13.8
85.06554	9.7
91.05482	61.0
92.05811	3.9
93.07056	65.5
94.07392	3.9
95.04951	14.9
95.08607	39.3
96.08973	3.9
97.06518	14.1
98.20757	5.8
98.34007	3.3
103.05464	3.9
105.04488	3.1
105.07034	100.0
106.07359	9.8
107.08597	72.3
108.08906	5.6
109.06525	16.7
109.10149	26.0
111.08092	5.6
112.69035	2.9
113.09634	4.7
115.05470	9.2
117.07017	26.8
118.61683	3.0
119.08582	84.7
120.08942	8.7
121.06509	12.4
121.10151	69.4
122.10497	6.5
123.08109	18.6
123.11720	9.3
125.09634	8.5
128.06232	8.7
129.07005	23.1
130.07751	4.8
130.66098	2.6
130.92761	2.7
131.08589	40.6
132.09067	3.3
133.10138	55.2
134.07265	3.5
134.10452	6.3
135.08064	16.8
135.11705	18.7
137.09613	9.7
139.11194	9.8
141.07024	10.7
142.07794	25.3
143.08578	42.0
144.09204	10.4
145.06494	7.3
145.10124	57.1
146.10513	10.2
147.08011	15.9
147.11713	23.1
148.12032	3.5
149.09637	15.5
149.13200	3.5
151.07556	5.7
153.06993	3.4
154.07872	5.7
155.08623	14.1
155.10648	3.5
156.09427	15.3
157.10138	58.9
158.10605	13.4
159.08067	19.7
159.11713	35.3
160.08559	4.3
160.12119	7.1
161.09554	12.1
161.13211	7.5
163.11183	6.2
165.06975	8.5
165.09149	10.2
166.07558	3.1
167.08522	8.9
167.10686	45.3
168.09166	6.3
169.10120	25.4
170.10869	6.8
171.11693	36.8
172.12132	10.3
173.09648	5.0
173.13220	20.8
175.11212	11.1
175.14764	10.1
179.08563	9.4
180.09175	5.7
181.10135	19.4
181.12186	4.3
182.10898	16.4
183.11688	27.0
184.12151	10.2
185.09686	3.8
185.13269	17.5
186.13705	5.9
186.96815	2.9
187.11201	3.8
187.14838	8.1
189.12686	6.2
190.13281	4.6
191.14281	8.7
192.09312	5.6
193.10107	12.0
194.10774	8.5
195.11697	21.4
196.12389	10.3
197.13289	22.9
198.13728	6.3
199.11226	3.3
199.14821	12.0
200.15295	4.7
201.12744	7.2
201.16437	5.1
203.14326	9.5
205.10098	3.6
206.10931	4.3
207.11658	12.3
207.13675	5.6
208.12238	11.8
208.14339	3.0
209.13237	22.2
209.15167	4.7
210.13791	5.4
211.11185	4.5
211.14798	13.2
212.15346	8.1
213.12711	6.9
213.16397	7.5
215.14305	7.5
219.11659	7.8
220.12289	4.1
221.13199	13.0
221.15417	25.2
222.13745	6.2
223.14783	18.1
224.15298	4.2
225.12827	4.8
225.16406	10.2
227.14319	3.4
233.13177	7.7
233.15402	27.6
234.13768	3.7
234.15880	5.4
235.14679	9.7
236.15346	4.9
237.16396	7.2
238.17194	4.0
239.14432	4.3
247.14671	6.4
249.16237	6.3
251.18091	6.8
253.16031	4.3
255.17453	11.9
256.17810	12.1
259.14691	5.5
260.15237	4.9
261.16272	7.9
263.17883	4.6
265.19385	5.2
269.18994	11.2
270.19437	4.2
273.18655	4.3
275.17920	7.5
277.19595	5.1
283.20572	4.3
285.18521	5.2
286.19275	4.5
287.20129	5.9
295.20520	6.4
299.20139	4.1
301.21884	5.0
365.24664	5.1
367.26147	3.2
377.24496	3.2
384.26123	4.0
475.78918	3.1
565.40344	4.5
583.41064	9.0
601.42841	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	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26875	1.2
53.03949	5.8
55.01874	2.1
55.05515	30.5
57.03446	2.8
57.07079	12.7
59.04984	3.2
62.85714	1.2
65.03952	5.0
66.75470	1.0
67.05511	70.9
69.03456	8.5
69.07073	41.0
69.07454	1.3
71.01383	1.2
71.04996	3.3
71.08640	1.9
77.03963	1.8
79.05501	44.2
81.03438	1.9
81.07063	88.8
83.04988	8.3
83.08626	25.5
85.02882	1.3
85.06538	7.1
85.10191	1.4
87.04455	1.9
89.06050	1.7
91.05489	69.4
92.05817	1.5
93.07053	60.4
95.04971	11.7
95.08613	83.6
96.08952	1.3
97.06553	12.9
97.10164	13.8
103.05482	2.8
105.04564	2.5
105.07038	66.9
106.07356	2.4
107.04987	2.5
107.08607	36.0
109.06522	10.4
109.10163	33.5
111.08103	4.6
111.11752	6.4
113.06026	1.4
113.09660	3.0
115.05479	6.9
115.07641	1.6
116.06251	1.4
117.07028	38.5
117.07856	2.2
119.08589	63.1
120.08930	3.5
121.06523	4.6
121.10156	38.6
123.08085	19.3
123.11730	8.0
125.06024	4.6
125.09647	4.8
125.13316	1.4
128.06189	7.1
129.07027	18.1
130.07774	3.9
131.08578	55.5
132.08931	1.5
133.06526	3.5
133.10139	44.5
135.08069	14.2
135.11708	18.3
137.05992	1.2
137.09618	12.4
137.13271	2.2
139.07492	1.7
139.11232	4.6
141.07008	6.4
142.07832	8.4
143.08583	25.1
144.09338	5.8
145.06549	1.9
145.10136	51.7
146.10556	2.7
147.08051	22.2
147.09090	2.0
147.11684	22.3
148.08531	1.1
148.11998	1.2
149.09659	6.1
149.13275	3.8
151.07571	9.3
151.11169	1.6
151.14876	1.2
153.07033	1.4
153.09094	1.6
153.12807	3.0
155.08601	9.6
155.10725	5.3
156.09367	7.9
157.10135	29.7
158.10777	2.8
159.08089	3.9
159.11696	31.6
160.08865	4.2
160.12236	2.7
161.09637	5.3
161.13264	11.8
163.11214	10.3
165.07053	2.2
165.09125	39.7
165.12798	4.0
166.09506	2.4
167.08621	5.0
168.09297	2.4
169.10153	14.1
169.12309	1.5
170.10875	4.0
171.08119	1.7
171.11710	22.6
172.12262	2.6
173.09657	3.7
173.13283	15.0
174.13922	1.2
175.11186	6.9
175.14819	8.4
176.11598	2.2
177.09149	2.3
177.12781	3.2
179.08612	4.0
179.10689	1.3
179.14394	2.5
180.09290	2.5
181.10246	7.0
181.12271	9.6
182.10912	4.3
183.11690	15.3
185.09695	1.9
185.13281	13.4
186.13678	2.2
187.11267	2.3
187.14845	5.8
189.12769	2.7
190.13387	1.6
191.10789	1.5
191.14308	2.3
193.10223	4.2
193.12277	3.3
194.10884	2.8
195.11711	9.3
196.12462	2.7
197.13310	11.0
199.14772	6.0
201.12843	4.4
201.16438	2.0
203.14348	16.2
205.15994	2.5
206.10985	1.8
207.11743	3.5
207.13899	5.0
208.12584	1.4
208.14476	2.0
209.13269	9.0
209.15144	1.9
210.13835	1.7
211.14871	8.2
212.11610	1.3
213.12801	2.0
213.16481	3.6
215.14229	2.5
217.10083	1.8
217.19574	4.1
220.14316	1.8
221.13293	5.9
221.15370	94.6
222.15697	6.4
223.14906	5.2
225.16443	3.4
227.14372	2.3
229.15921	2.4
229.19565	2.2
233.13297	2.4
233.15442	2.3
234.13966	1.7
234.16164	3.8
235.14880	3.7
235.16905	2.0
235.20543	3.4
237.16441	4.2
239.17973	8.9
241.15770	1.3
247.17029	5.4
248.17369	3.6
249.16348	2.5
253.15817	1.8
257.19025	22.9
257.21588	1.9
259.20667	4.0
261.16409	1.8
263.18027	2.6
265.19531	2.4
273.18671	1.9
274.19412	2.2
275.20142	10.1
277.19467	2.0
283.20584	2.4
285.18683	1.3
286.19342	2.7
287.19968	5.0
297.22183	1.3
299.20065	5.6
300.20807	3.8
301.21823	2.0
311.20148	2.2
312.20905	2.8
313.21564	5.0
326.22061	2.5
327.25449	17.6
331.22659	14.4
336.67395	1.3
340.23929	2.5
343.51941	1.3
352.24124	3.9
353.24347	5.7
365.24646	1.6
366.25339	2.0
367.26535	2.6
377.24631	1.4
378.25528	2.1
392.26901	2.0
393.27878	2.2
419.29358	1.5
421.30853	1.3
426.27081	1.3
428.28796	1.7
440.29559	3.8
441.29779	6.9
491.34863	7.8
509.35583	1.5
509.41095	1.5
520.35846	1.8
521.36005	12.8
527.40961	1.7
565.41779	1.5
583.42853	21.2
586.39502	1.6
601.44177	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.7
55.01867	4.7
55.05312	2.0
55.05510	25.0
57.03427	2.3
57.07066	9.7
59.04989	4.4
62.74774	1.9
65.03931	6.0
67.05185	2.9
67.05511	38.0
69.03425	16.6
69.07071	26.5
69.33008	17.3
71.04974	2.7
71.24567	1.8
73.18538	1.9
79.05496	38.9
81.03409	5.2
81.06582	3.2
81.07057	54.2
82.07392	3.1
82.72708	2.0
83.04997	16.8
83.08624	18.8
84.08968	2.5
85.06517	7.4
87.04462	3.6
89.06026	9.0
91.05478	66.0
92.05811	3.3
93.07047	79.1
94.07343	3.6
95.04967	26.8
95.08611	51.5
97.06539	16.5
97.10152	4.2
98.21452	3.2
103.05448	6.8
105.04506	3.9
105.07033	100.0
106.07359	7.4
107.01151	2.4
107.04949	4.8
107.08598	83.3
108.08920	7.4
109.06522	17.8
109.10162	33.1
110.10477	2.5
111.08073	6.8
111.11769	2.1
113.09657	7.0
115.05444	9.6
117.07024	22.4
119.04929	2.3
119.08585	97.5
120.08926	7.4
121.06507	12.5
121.10144	82.6
122.10484	3.8
123.08070	23.7
123.11694	15.6
124.08329	2.7
125.05952	2.4
125.09636	18.6
128.06206	14.1
129.07030	20.0
129.09027	2.7
130.07716	6.8
131.08583	53.2
132.08923	3.8
133.06464	7.6
133.08607	3.4
133.10139	60.4
134.10461	4.0
135.08075	20.1
135.11685	21.5
137.09601	8.6
139.11142	7.9
141.07008	8.8
142.07782	23.6
143.08595	42.2
144.09384	11.7
145.06528	3.8
145.10129	81.1
146.07266	2.9
146.10472	8.1
147.08058	15.5
147.11687	27.3
149.09587	21.6
149.13260	6.1
150.09976	3.1
151.07487	4.7
151.11156	3.0
153.07022	3.4
154.07732	3.5
155.08575	18.6
155.10690	7.8
156.09352	24.6
157.10136	55.8
157.44955	2.3
158.10745	12.9
159.08063	18.6
159.11697	45.8
160.08676	2.7
160.12090	6.4
161.09618	18.3
161.13214	9.5
163.11247	12.3
165.06987	6.1
165.09131	16.6
166.07713	2.6
167.08656	10.3
167.10684	61.9
168.09322	6.4
169.10136	29.4
170.10887	12.6
171.11700	37.4
172.08752	2.4
172.12132	8.9
173.09695	10.2
173.13225	24.4
174.10239	2.7
174.13539	2.6
175.11220	15.0
175.14780	13.1
176.11487	2.7
177.12750	2.5
178.07637	2.3
179.08594	13.7
180.09315	8.5
181.10152	15.4
181.12149	7.9
182.10898	12.0
182.12364	2.7
183.11684	27.0
184.12199	4.3
185.09708	4.7
185.13232	21.7
186.13838	3.4
187.11183	9.6
187.14789	11.2
189.12712	8.5
189.16420	2.7
191.14224	6.8
192.09383	4.8
193.10150	15.9
194.10841	11.5
195.11688	22.4
196.12317	11.4
197.09659	3.9
197.13275	28.0
198.13728	3.8
199.11183	6.6
199.14809	14.3
200.15298	3.4
201.12712	7.6
201.16338	7.8
202.92636	2.1
203.14314	8.8
204.09097	2.1
205.10144	4.2
205.15869	4.7
206.10815	4.0
207.11687	15.9
207.13605	3.5
208.12390	10.1
209.13326	26.6
209.15176	4.5
210.13901	6.2
211.11211	4.6
211.14822	21.9
212.15204	5.1
213.12697	7.5
213.16304	6.6
215.14317	5.7
217.15904	5.6
218.10744	2.8
219.11697	7.1
219.13695	3.2
220.12523	4.0
221.13211	15.9
221.15359	34.0
222.13783	3.8
222.15811	3.6
223.14828	19.8
224.15431	4.3
225.12769	4.5
225.16254	8.0
226.16913	2.9
227.14288	5.6
227.39699	2.2
230.10893	3.0
231.11658	5.1
232.12314	4.7
233.13199	8.3
233.15350	31.4
234.15921	6.7
235.14680	10.5
236.15230	3.0
237.16365	8.2
238.16864	2.9
239.17871	6.0
244.12604	3.2
245.13184	5.5
246.13847	3.1
247.14708	8.8
247.16933	3.8
248.15344	2.8
249.16322	7.6
250.16861	3.3
251.17850	5.9
253.15813	3.0
253.19498	2.9
255.17389	6.8
256.17773	4.5
257.18869	2.7
259.14801	4.1
261.16364	5.9
262.16977	2.9
263.17950	6.6
265.19385	6.0
266.19800	2.9
267.17435	3.6
269.18973	7.7
270.19476	3.3
271.20370	2.7
273.18747	3.6
274.16867	3.8
275.17905	7.4
277.19464	4.3
281.18936	7.8
283.20474	6.1
285.18802	4.1
287.20148	6.0
289.19333	4.7
293.18985	2.7
299.20074	5.9
301.21848	4.2
311.20120	2.8
314.99844	2.3
331.20404	2.4
340.29147	2.5
347.23544	3.7
349.25327	4.8
361.25305	3.1
365.24686	3.4
367.26233	2.8
375.26758	2.4
459.97266	2.5
491.35275	5.0
503.35455	2.9
524.18768	2.3
565.40399	6.8
577.61804	2.2
583.41449	12.0
601.36261	12.6
601.42053	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.7
55.01864	5.6
55.05518	25.7
57.07076	18.5
59.05000	2.7
65.03938	5.7
66.29675	3.5
67.00830	3.2
67.05508	38.7
67.50445	2.9
69.03417	15.6
69.07076	31.8
69.15659	3.1
70.51046	2.8
70.99537	6.5
71.04974	4.8
71.08629	6.7
73.53910	3.1
79.05501	45.4
80.05842	3.2
81.03426	21.9
81.07065	45.6
83.04994	24.4
83.08604	16.1
85.06544	6.7
87.04469	4.0
87.58369	3.4
91.05482	68.9
93.06480	4.5
93.07053	80.5
94.07372	6.1
95.04990	26.4
95.08616	45.7
97.06554	14.7
103.05496	4.9
103.22921	3.1
105.04513	4.4
105.07039	100.0
106.07346	6.9
107.04953	8.8
107.08602	78.3
108.08934	3.7
109.06518	16.6
109.10147	35.6
111.08053	5.1
113.09626	6.1
115.05465	8.7
116.06254	3.8
117.07039	23.8
119.08595	92.7
120.08936	4.8
121.06503	15.8
121.09328	5.5
121.10157	87.8
123.08107	17.5
123.11707	10.3
124.08464	3.8
125.09628	18.2
126.09942	3.1
128.06256	18.3
129.07062	23.6
130.07780	6.7
131.04958	3.9
131.08572	43.7
132.08887	4.0
133.06500	6.9
133.10138	63.1
134.10474	7.1
135.08086	16.0
135.11688	18.7
137.09639	8.1
139.11180	6.5
141.06970	9.0
142.07813	18.7
143.08595	43.6
144.09256	11.3
145.06453	5.6
145.10144	69.2
146.10492	9.3
146.15607	3.8
147.08058	12.0
147.11699	25.9
149.09657	25.3
149.13312	4.0
151.07561	5.4
151.11192	5.7
153.07004	6.0
154.07732	3.5
155.08575	16.6
155.10657	6.7
156.09357	17.3
157.10146	61.6
158.10687	11.8
159.08026	16.4
159.11707	38.0
160.05165	6.5
160.08763	5.1
160.12047	4.7
161.05991	6.3
161.09650	16.2
161.13231	6.9
163.11201	7.8
165.06993	10.2
165.09114	9.1
166.07794	4.2
167.08528	11.2
167.10693	64.5
168.09343	12.4
169.10101	28.8
170.10826	12.8
171.11723	35.6
172.12231	3.9
173.06029	6.1
173.09663	8.7
173.13264	22.2
175.11192	10.0
175.14803	11.7
176.11543	3.9
177.12711	4.4
179.08559	8.8
180.09270	8.9
181.10124	17.1
181.12198	5.2
182.10780	9.3
183.11699	29.3
184.12358	4.8
185.09547	4.6
185.13289	24.0
186.13678	3.6
187.11234	3.7
187.14767	9.8
188.15102	4.3
189.12694	13.0
190.13446	3.7
191.14235	6.5
192.09459	4.3
193.10149	15.6
194.10852	9.8
195.11685	28.7
196.12329	9.9
197.13303	24.8
199.14795	17.1
200.15292	3.7
201.16386	3.9
203.14317	9.2
206.10954	5.7
207.11617	13.1
207.13567	3.5
208.12318	8.6
209.13313	28.5
209.15175	6.3
210.13805	10.2
211.11186	5.2
211.14755	12.7
211.89485	3.6
212.15231	7.3
213.12749	7.1
213.16463	7.4
215.14339	5.9
217.10197	4.7
219.11676	8.4
220.12306	6.0
221.13237	14.3
221.15379	25.9
222.13786	6.5
223.14885	16.2
225.12871	7.0
225.16316	10.6
227.14270	7.1
229.15950	4.1
232.12323	4.7
233.13184	5.4
233.15352	32.7
234.13667	3.8
235.14639	7.2
235.16757	4.0
237.16383	7.9
247.14713	4.2
248.15617	4.0
249.16235	8.1
250.17030	4.1
251.17986	7.7
255.17561	8.2
256.17770	6.1
261.16373	4.9
263.17941	4.5
264.18344	4.1
265.19482	3.5
267.21091	4.7
269.18936	10.3
271.13260	12.3
273.18671	4.2
274.16946	5.2
275.17822	6.3
277.19507	3.5
283.20541	4.3
286.19177	4.0
287.20151	6.9
289.14478	5.0
292.17551	3.5
295.20389	4.7
299.20331	5.9
313.27502	5.9
345.16956	4.5
348.23813	3.8
360.62442	3.7
361.25220	3.7
365.24557	3.6
565.40210	7.8
583.41199	12.4
601.22552	10.8
601.41589	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.6
53.03947	3.4
55.01856	1.0
55.05512	7.3
57.07077	5.8
57.77292	0.8
59.04999	1.4
60.32858	0.8
65.03934	2.3
66.59891	0.9
67.05514	13.2
68.05855	1.3
69.03429	4.5
69.07075	9.9
69.26460	9.4
71.04992	1.8
71.08645	2.4
77.03921	1.6
79.05498	13.9
81.03424	3.7
81.07063	14.9
82.07393	1.4
83.04980	7.9
83.08617	6.0
84.08938	1.0
85.06546	2.0
85.10194	1.2
87.04460	2.0
89.06039	7.4
91.05489	18.9
92.05812	2.3
93.07052	24.1
94.07365	1.5
95.04980	12.5
95.08614	14.6
95.22491	0.9
97.06544	4.9
98.06783	0.9
98.20712	2.0
99.08090	1.1
100.12184	0.9
103.05475	49.1
105.04546	1.3
105.07032	31.2
106.07323	2.2
107.04940	1.9
107.08604	22.6
108.08923	2.9
109.06512	6.3
109.10152	12.9
111.08069	2.7
111.11706	1.1
115.05474	2.3
117.07018	7.3
118.07347	1.1
119.08591	25.6
120.08883	4.7
121.06516	6.2
121.10153	22.1
122.10508	1.7
123.08072	9.0
123.11697	3.5
124.08398	1.4
125.09626	5.0
128.06229	4.8
129.07030	6.7
130.07785	1.7
131.04935	100.0
131.08569	14.2
132.05113	1.0
132.08948	2.1
133.06480	2.0
133.08664	4.9
133.10135	19.3
134.10509	1.8
135.08026	6.0
135.11671	6.7
137.09637	2.2
139.11194	2.1
141.07018	4.8
142.07794	9.2
143.08578	15.5
144.09216	4.5
145.06508	2.2
145.10133	23.8
146.10509	4.0
147.08047	6.7
147.11707	7.1
149.09601	7.1
149.13249	1.8
151.07541	2.1
153.07028	1.3
154.07739	1.2
155.08606	6.5
155.10695	3.5
156.09358	6.4
157.10149	18.8
158.10498	4.6
159.08044	5.9
159.11710	15.4
160.08670	1.7
160.12080	2.1
161.09615	7.7
161.13280	4.1
162.10172	1.1
163.11194	4.1
165.07001	3.1
165.09134	2.3
167.08553	4.2
167.10698	13.3
168.09283	2.1
168.10861	1.4
169.10149	9.6
170.10797	4.5
171.11705	13.7
172.08781	1.5
172.12100	3.3
173.09592	9.4
173.13274	9.2
175.11179	4.1
175.14809	3.4
177.11267	2.2
179.08568	4.1
180.09409	1.8
181.10153	6.7
182.10872	5.0
183.08060	1.0
183.11679	8.3
184.12132	2.8
185.09695	5.2
185.13309	8.1
186.13724	2.2
187.11180	4.7
187.14783	4.4
189.12830	2.2
191.14314	2.9
193.10136	5.6
193.12062	1.7
194.10742	3.6
195.11700	8.8
196.12340	4.0
197.09612	2.9
197.13261	9.7
198.13763	3.4
199.11215	4.0
199.14847	5.4
200.11821	1.6
200.15282	1.7
201.12729	3.4
201.16377	3.4
203.14362	4.0
206.10863	2.8
207.11684	5.9
208.12352	3.3
209.09656	1.2
209.13266	8.7
209.15160	1.6
210.13762	2.8
211.11143	3.5
211.14793	5.1
212.11938	1.0
212.15341	1.3
213.12714	5.6
213.16399	2.5
215.14343	8.6
216.14825	1.3
217.10155	1.3
217.15913	1.1
218.10750	1.3
219.11797	1.9
220.12315	2.4
221.13197	4.1
221.15402	7.7
222.13832	1.9
223.11121	2.4
223.14835	4.2
224.15173	2.4
225.12749	4.0
225.16324	2.1
227.14284	2.6
229.16000	1.6
231.11682	2.2
232.12408	1.3
233.13184	2.9
233.15424	9.6
234.13730	1.4
234.15852	2.1
235.14854	3.0
237.12758	2.4
237.16347	2.2
238.16745	1.1
239.14366	3.7
241.15860	6.6
245.13268	1.4
246.13866	1.2
247.14705	2.3
248.15280	1.6
249.12714	1.2
249.16405	1.7
251.17860	2.2
252.18221	1.2
253.15796	6.1
255.17390	4.7
256.17780	4.3
257.18958	1.3
259.14700	1.9
261.16406	1.9
263.17969	2.0
265.15936	1.3
267.17526	2.8
268.18185	1.5
269.18866	2.4
273.16125	1.3
273.18802	1.2
277.19397	1.4
279.17685	1.6
281.18863	4.6
282.19385	1.3
283.20300	1.4
286.19104	1.6
287.20203	1.3
299.20169	1.7
307.16931	3.8
307.20517	2.2
313.21649	1.5
331.20370	1.4
333.18631	1.4
347.23566	2.7
348.24332	1.5
365.24796	6.0
375.23212	42.4
384.26007	2.0
393.24240	10.1
451.31900	1.2
541.24408	2.1
583.41022	2.2
601.42084	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	601.3009
Annotation	Ardisiaquinone I
Peak:m/z	Relative Intensity
53.03944	5.7
55.01864	3.9
55.05514	55.1
63.55874	1.7
65.03928	2.0
67.05498	7.4
69.03433	4.4
69.07066	3.2
69.23849	16.5
71.05010	2.2
75.26812	1.8
79.05490	11.1
79.64180	2.2
81.03432	2.3
81.07071	14.4
82.45109	1.8
83.04987	100.0
86.57563	1.8
89.76184	1.7
91.05486	15.8
93.07038	12.2
95.04948	11.7
95.08618	11.3
97.06543	4.3
98.20796	4.3
103.05458	15.1
105.03393	5.9
105.07034	21.9
107.08595	9.3
109.06503	5.9
109.10168	3.7
115.05460	3.8
117.07009	9.4
119.08585	18.7
121.06499	7.0
121.10144	4.8
123.04476	2.7
123.08079	3.9
128.06229	6.4
129.07022	5.7
131.04924	29.4
131.08578	12.2
133.06461	12.1
133.10155	16.2
135.08069	12.8
137.09535	2.4
139.07567	1.8
141.07013	4.5
142.07808	6.7
143.08569	16.3
144.09282	2.2
145.06493	6.7
145.10115	15.0
147.08060	8.8
147.11763	2.1
149.05991	5.1
149.09644	5.9
151.07590	13.8
153.06909	2.8
155.08546	6.6
156.09340	10.0
157.06497	2.7
157.10121	23.8
158.07164	2.0
159.08067	9.5
159.11732	9.5
161.05972	8.8
161.09621	11.9
163.07562	7.6
163.11214	2.4
165.07037	5.2
165.09106	3.1
167.07028	4.4
167.08444	3.0
168.09373	3.0
169.10127	12.5
170.10886	8.8
171.08049	10.9
171.11687	41.5
173.06023	2.0
173.09613	10.4
173.13203	8.0
175.07564	3.8
175.11165	3.2
177.05476	3.7
177.09201	4.1
179.07071	2.1
179.08507	3.9
179.10738	3.8
181.10123	7.1
182.07159	2.1
183.08104	3.0
183.11690	25.8
184.08858	2.4
185.09622	11.7
185.13266	42.0
186.10413	3.1
187.11058	10.1
189.09096	3.6
189.12836	3.1
191.06859	2.1
193.10182	6.1
194.10950	2.3
195.11707	14.7
196.12599	1.9
197.09599	6.1
197.13345	10.3
198.10406	4.6
199.11182	17.8
201.09213	3.9
201.12819	11.3
203.10646	3.5
204.09619	1.8
205.12296	2.9
206.10854	2.5
207.11723	6.4
208.12439	3.2
209.09705	2.6
209.13257	6.1
211.07631	2.5
211.11159	8.2
213.09294	3.5
213.12753	42.0
215.10706	5.4
215.14331	3.9
217.10326	2.4
217.12187	3.0
219.11740	4.4
219.13635	2.2
220.12476	3.6
221.09647	2.2
221.13364	3.6
223.11290	4.6
223.14812	4.9
225.12733	3.9
227.10648	4.5
229.12314	6.4
230.10931	3.3
231.09908	2.4
231.11871	3.6
231.13890	8.4
233.13316	4.9
234.47122	1.9
235.11298	2.4
235.14850	2.7
237.12798	6.2
239.10672	3.0
241.12312	10.2
243.13823	7.5
244.12363	2.5
245.13181	4.5
245.15288	13.2
246.14029	2.8
248.15724	1.9
249.16518	3.3
251.14423	2.5
253.12238	3.7
255.11548	2.7
255.13861	6.9
257.15497	4.5
258.13947	2.5
259.10977	3.5
259.13394	5.7
261.12592	2.8
261.16599	3.7
265.12463	2.4
269.13297	2.2
271.14972	3.0
273.12283	3.3
273.14792	23.0
274.13458	3.3
275.14197	3.4
275.17184	1.7
277.16031	2.9
284.15619	2.0
285.16321	3.5
287.14114	2.4
289.15787	2.4
291.15967	9.1
298.13367	2.2
303.17365	3.0
317.15421	3.7
317.19031	3.7
319.16827	2.5
321.15082	2.4
321.18497	2.7
327.17126	2.4
331.16949	8.0
335.19955	5.0
343.16714	2.6
345.18576	12.2
349.17905	4.5
361.17947	4.3
363.19580	10.1
373.17938	8.9
375.19565	3.2
377.21069	4.2
381.20667	2.1
387.19528	2.4
391.18991	15.1
393.20493	4.1
395.22235	4.6
405.20743	13.4
409.20041	6.9
419.18433	2.4
423.21646	15.9
435.21567	3.6
441.22574	8.4
451.20932	3.5
453.22318	4.6
463.33292	1.9
469.22308	4.9
483.23792	4.3
487.22632	2.2
501.24765	4.1
583.28796	3.2
601.34027	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	601.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.9
55.01860	10.5
55.05511	13.0
67.05496	9.9
67.41565	2.8
69.03422	6.4
69.07073	6.8
69.17929	30.6
79.05512	15.9
81.03409	10.9
81.07063	10.2
83.04977	16.8
91.05480	22.0
93.07039	15.1
95.04971	18.1
95.08612	8.1
97.02892	12.2
98.20735	5.6
103.05448	5.7
105.03392	5.8
105.07030	24.8
107.04960	8.8
107.08559	6.3
109.06522	6.0
115.05451	7.3
117.07031	16.7
119.08571	22.8
121.06517	8.9
121.10164	4.9
123.04411	3.9
123.08057	5.2
128.06203	3.5
129.07016	9.5
131.04919	8.3
131.08577	17.1
133.06496	13.9
133.10147	10.4
135.08089	17.8
137.05988	6.3
141.06993	7.5
142.07820	5.5
143.08569	19.1
145.06499	8.2
145.10092	14.1
147.08054	30.5
147.11696	3.2
149.09557	4.3
153.07039	5.3
154.07813	4.5
155.08569	29.9
156.09383	8.0
157.06442	3.2
157.10219	15.9
159.08061	18.7
159.11703	8.8
161.06004	46.3
161.09644	9.7
163.07564	31.6
165.05553	8.0
165.07001	9.8
165.09169	3.4
167.08595	9.3
168.09331	8.1
169.06427	5.2
169.10124	18.3
171.08055	7.1
171.11685	12.2
173.05919	2.9
173.09610	11.4
173.13213	7.2
173.46518	2.8
175.07578	5.9
175.11177	5.0
177.09041	4.1
179.07057	11.9
179.08551	7.2
180.09364	6.3
181.10117	11.8
182.10924	11.1
183.08095	31.0
183.11642	14.5
184.08778	4.5
185.09589	14.4
185.13275	8.4
187.07579	3.5
187.11183	4.8
189.09113	3.7
192.09416	4.3
193.10143	5.7
194.10948	4.9
195.08150	6.4
195.11646	23.2
196.08821	8.2
197.09634	8.2
197.13261	45.4
199.11192	23.6
199.14864	6.9
201.09160	5.9
201.12805	8.2
207.11708	11.1
209.09682	3.5
209.13251	11.7
210.10474	7.8
211.11200	5.2
213.12746	15.4
213.70157	2.9
215.14259	7.1
217.12166	3.3
221.13243	4.2
223.11197	6.8
223.14825	4.7
225.12753	100.0
227.14304	15.4
231.13988	3.0
233.13231	4.2
235.14917	5.4
237.12747	3.9
243.13821	76.4
245.15407	10.0
249.12849	3.7
261.14899	11.9
263.14438	3.4
285.14883	13.2
303.16061	10.9
359.20267	4.1
369.18491	3.2
375.19412	4.2
387.19547	13.9
405.20676	24.7
419.22220	4.8
423.21576	12.4
447.21524	3.3
465.22925	5.5
483.23810	34.8
501.24918	25.4
522.88538	3.3
601.31006	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	601.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.7
53.03951	1.7
55.01878	3.0
55.05500	0.8
55.42243	0.3
65.03932	0.4
67.05499	1.6
69.03428	1.3
69.07056	0.5
71.55341	0.6
73.20031	0.3
74.09711	2.3
77.03927	0.8
79.05499	3.3
79.87172	0.4
81.03422	3.6
81.07060	1.5
83.04986	0.9
83.08638	0.3
91.05480	8.5
93.07039	2.7
95.04979	5.3
95.08623	1.4
102.04684	0.6
103.05473	58.2
105.03381	1.8
105.04525	1.2
105.07023	4.6
107.04947	2.4
107.08589	2.2
109.06525	1.0
109.10136	0.4
115.05452	1.6
116.06240	0.9
117.07043	4.2
118.87207	0.4
119.04972	0.5
119.08584	8.8
120.08935	0.4
121.06495	1.7
121.10150	1.9
123.08077	0.7
128.06221	1.5
129.07005	6.5
130.07768	0.4
131.04933	100.0
131.08565	6.3
132.05681	0.4
133.06474	1.3
133.10135	4.8
135.08055	1.2
135.11714	0.4
137.09634	0.7
141.06989	1.6
142.07811	1.1
143.08585	2.9
144.05714	1.0
144.08067	0.5
144.09319	0.6
145.06493	3.1
145.10129	3.8
147.08054	15.9
147.11707	1.1
148.08403	0.3
149.05956	0.8
149.09624	6.9
153.09204	0.4
155.08559	1.9
156.09372	2.6
157.06416	0.6
157.10127	8.4
158.10889	0.4
159.08063	21.3
159.11699	12.7
161.05997	0.6
161.08324	0.5
161.09631	8.5
163.07547	0.7
163.11151	0.8
165.06952	0.8
165.09158	0.5
167.08560	0.7
167.10736	0.4
168.09360	0.8
169.06383	0.4
169.10110	5.1
170.10858	0.8
171.08029	1.1
171.11703	7.6
173.05969	1.5
173.09625	4.1
173.13295	3.3
175.07550	3.1
175.11240	0.6
179.08554	0.9
181.10139	1.7
183.08090	0.9
183.11699	5.8
185.09691	2.1
185.13200	2.0
187.11194	2.9
187.14818	0.5
189.09081	0.6
189.12730	0.4
191.10690	1.0
192.09390	0.5
193.10129	1.2
193.12151	0.8
194.10779	0.4
195.07947	0.5
195.11745	0.9
197.09674	2.6
197.13235	1.2
198.10287	0.6
199.11183	2.9
199.14955	0.4
201.09128	0.8
201.12788	2.1
205.10197	0.5
205.12318	0.4
207.11668	1.6
207.13715	0.4
209.09581	1.0
209.13243	1.5
211.11176	1.5
211.14827	0.7
213.09084	0.4
213.12730	1.0
215.10690	2.0
217.10237	0.4
217.12141	2.0
218.10866	0.5
219.07947	0.5
219.11870	0.6
219.13869	0.5
220.12434	0.5
221.09555	0.7
221.13210	1.0
221.15205	0.5
222.10176	0.5
223.11160	1.4
223.14803	0.9
225.09253	0.4
225.12714	2.4
227.10663	1.7
229.12224	3.0
231.13692	2.0
233.09557	0.4
233.13275	0.9
233.15327	4.3
235.11179	0.7
235.14917	0.6
237.12743	1.7
237.16096	0.5
239.10655	0.8
239.14284	0.7
241.12231	0.6
243.11642	0.5
243.13803	1.3
245.13344	0.4
245.15401	0.8
247.11122	0.7
247.13219	0.9
249.12679	1.0
251.14334	1.5
253.12228	0.5
257.15494	0.5
261.12537	0.8
261.14764	2.7
263.14261	0.8
267.13657	0.6
271.11020	0.5
271.14996	0.5
273.12640	0.9
275.14355	0.8
277.12238	0.4
279.13776	0.7
281.15601	0.5
283.13742	0.4
285.12747	0.7
286.13596	0.5
287.14267	0.7
289.15820	0.4
291.17349	0.5
293.15195	0.4
299.14124	0.7
300.15057	0.8
301.15729	0.6
303.17404	0.7
305.18832	0.7
311.16272	0.4
313.15738	0.7
314.16568	0.6
315.13974	0.6
315.17328	2.9
317.18970	0.6
323.16550	0.4
327.17346	0.5
329.18875	1.3
331.16830	0.8
333.14969	0.6
333.18475	3.3
335.16391	1.1
343.16861	1.0
344.17822	0.4
345.18631	0.7
347.20020	1.9
357.18515	2.5
361.17978	0.9
367.18835	0.7
369.16904	0.8
375.19513	4.2
379.22656	0.6
385.18005	1.0
389.21112	4.1
391.22510	1.5
403.19168	2.3
405.20496	0.7
407.22183	7.2
417.20764	3.5
425.23215	2.5
435.21759	7.2
453.22748	2.8
601.27594	2.2
601.41760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.7
53.03944	2.1
54.64919	0.4
55.01879	6.1
55.05513	0.8
57.98923	0.4
65.03953	1.0
66.76000	0.4
66.97980	0.4
67.05515	2.2
69.03436	1.4
69.07071	0.8
73.34238	0.4
77.03934	1.2
79.05499	5.9
80.62443	0.4
81.03425	5.9
81.03867	0.7
81.07069	2.2
83.04987	1.0
91.05489	13.6
91.23679	0.3
93.07053	2.4
95.01372	0.5
95.04975	7.6
95.08618	1.4
97.06507	0.4
102.04681	0.6
103.05479	53.1
105.03411	1.1
105.04546	1.1
105.07036	7.2
107.04974	6.2
107.08608	3.3
109.06534	1.4
109.10214	1.0
115.05461	3.7
116.06248	1.8
117.07026	4.8
119.04926	1.0
119.08589	16.6
121.02825	0.4
121.06532	1.9
121.10155	2.2
123.08040	0.4
128.06201	2.4
129.07019	10.6
130.07773	0.6
131.04939	100.0
131.08582	13.2
132.05739	0.8
133.06468	2.6
133.10135	7.0
135.08052	1.9
135.11732	0.5
141.07010	2.6
142.07787	2.5
143.08560	5.5
144.05692	1.2
144.08211	0.5
144.09372	1.8
145.06483	6.3
145.10135	6.5
146.07301	0.6
147.08060	32.6
147.11624	0.9
149.05994	1.3
149.09633	14.5
151.07523	0.5
153.06981	0.8
154.07863	0.7
155.06015	0.5
155.08560	3.5
156.09349	3.7
157.06522	0.8
157.10138	16.3
158.07272	0.8
158.10896	0.5
159.08072	36.2
159.11702	23.4
160.08836	0.5
161.05986	0.8
161.09637	15.1
161.13367	0.5
163.07562	1.6
163.11218	0.7
165.07033	0.9
165.09123	0.6
166.07738	1.0
167.07166	0.7
167.08591	1.5
168.09315	1.4
169.10136	9.2
170.10835	1.2
171.08066	1.6
171.11711	13.1
172.08855	0.7
173.05978	2.0
173.09657	7.3
173.13252	6.6
175.07565	8.1
175.11168	1.1
177.09142	1.0
179.08603	1.3
180.09357	0.7
181.10143	2.6
182.07285	0.7
182.10980	0.5
183.08105	1.4
183.11705	9.1
185.09680	3.2
185.13249	3.0
186.10394	0.6
187.07536	1.0
187.11192	5.6
189.09123	1.4
189.12686	0.6
191.10696	1.7
192.09404	0.5
193.10161	1.8
193.12273	1.1
194.10837	0.6
195.08051	1.1
195.10156	0.4
195.11694	2.5
196.08881	0.5
197.09648	4.5
197.13266	1.8
198.10326	0.7
199.11151	4.7
199.14861	0.6
201.09166	1.1
201.12781	5.4
202.28896	0.4
203.08752	0.4
203.10675	0.9
205.10222	0.7
205.12260	0.5
206.10916	1.0
207.11877	2.2
207.13416	0.5
208.08817	0.6
208.12285	0.6
209.09599	1.4
209.13229	1.6
210.10440	1.2
211.11241	3.2
211.14764	1.3
213.09100	1.1
213.12717	0.9
215.10687	3.2
217.10208	0.8
217.12242	3.5
218.10796	0.5
219.11690	1.2
219.13783	1.0
220.12520	1.1
221.09715	0.8
221.13347	2.5
221.15268	0.7
222.13969	0.5
223.11247	2.5
223.14786	1.4
224.11928	0.7
225.09245	0.7
225.12756	6.0
227.10687	3.0
229.10176	0.7
229.12228	4.7
229.62074	0.4
230.10963	0.7
231.10132	1.2
231.13721	2.5
232.12495	0.7
233.09602	1.0
233.13249	1.2
233.15363	6.3
234.10507	0.6
235.11154	1.0
235.14792	1.2
236.11983	0.6
237.12816	2.5
239.10716	1.2
239.14337	1.2
241.12296	0.9
243.11684	0.7
243.13838	1.8
244.12497	1.1
245.09511	0.7
245.13419	0.6
245.15411	0.6
246.10320	0.5
246.14134	0.9
247.11011	1.1
247.13344	1.7
247.15298	0.7
248.11905	0.6
249.12723	1.8
251.14287	2.0
253.12274	0.8
253.15802	0.6
256.12402	0.5
257.13400	0.5
259.11115	0.8
260.11911	0.9
261.12585	1.2
261.14941	4.7
263.14438	0.8
265.12143	0.6
265.15845	1.0
267.11505	0.6
273.12802	1.0
274.13504	0.6
275.12503	0.5
275.14548	0.7
277.12143	0.6
279.13571	0.6
279.17435	0.6
281.15466	0.4
284.12036	0.5
285.12552	1.9
285.15805	0.4
286.13614	0.8
287.14267	1.2
287.17661	0.7
289.16168	0.8
291.13925	0.8
291.17194	0.6
293.15250	0.9
299.14053	0.7
300.15027	1.1
301.15717	0.8
303.13803	0.6
303.17303	0.7
305.15335	0.6
305.18985	1.4
307.16803	0.7
313.15778	0.9
315.17432	5.0
317.15546	0.8
317.18997	1.6
319.20593	0.9
321.14621	0.4
323.16446	0.6
325.15109	0.4
329.15515	0.5
329.19058	2.2
331.17047	1.0
333.15030	0.4
333.18527	5.6
335.16364	2.0
339.16656	0.5
341.17532	0.7
343.16843	2.1
345.18472	0.6
347.20029	3.9
349.17841	0.8
351.15955	0.6
353.20969	0.4
357.18674	3.0
361.18112	2.1
367.18829	1.3
369.16949	0.9
373.17905	0.7
375.19547	7.9
379.22552	0.7
385.17984	1.5
389.21198	5.9
391.23010	2.9
393.20651	0.8
403.18961	2.5
405.20413	0.8
407.22202	12.9
417.20728	5.7
421.19846	0.9
425.23346	5.2
435.21768	12.8
453.22797	5.2
583.26349	0.6
601.28082	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	601.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
53.57243	3.7
53.69804	4.7
55.01874	5.9
55.05505	11.7
55.43098	3.7
67.05487	7.9
69.03413	13.4
79.05480	9.8
79.56609	4.4
81.03427	11.9
81.07070	6.5
83.04983	13.9
91.05470	17.3
93.07049	16.1
95.04975	19.3
95.08565	4.3
98.20605	7.9
103.05476	19.9
105.03375	5.4
105.07034	28.3
107.08580	6.9
109.06504	4.6
115.05358	4.8
117.07027	11.4
119.08588	22.3
121.02898	8.2
121.06555	4.7
121.47160	4.5
123.04408	4.7
128.06239	7.7
129.07010	13.5
131.04935	36.9
131.08545	23.5
133.06520	24.8
133.10132	10.8
135.08006	6.7
143.08516	16.2
145.06479	8.5
145.10120	19.5
147.08070	20.1
149.05986	6.4
149.09615	6.0
153.06998	4.4
155.08565	8.7
156.09334	10.7
157.10161	10.3
159.08047	16.6
161.06009	30.6
161.09616	13.3
163.07526	9.0
163.11201	19.6
165.07001	5.5
168.09244	4.6
169.10086	9.6
171.08031	6.6
171.11690	17.5
173.06038	6.4
173.09634	27.4
179.08661	5.7
181.10117	6.1
183.08032	10.2
183.11703	14.1
185.05893	5.2
185.09636	9.3
185.13292	13.0
187.07564	8.5
187.11223	13.4
189.09122	18.9
195.11604	6.7
197.09720	12.7
197.13329	6.5
198.10382	6.1
199.07623	7.1
199.11238	17.2
200.11896	5.0
201.09106	15.6
201.12737	8.2
203.06973	7.8
205.12231	6.1
209.09631	4.6
209.13251	7.0
211.11244	13.5
213.09073	13.2
213.12740	17.7
215.10735	7.7
217.08560	5.8
221.13301	8.1
223.11209	9.5
225.09090	6.2
227.10732	13.2
229.08569	29.2
239.10612	6.8
245.08046	28.3
245.15437	5.4
281.15613	7.0
319.13266	7.1
331.16904	14.9
333.18478	9.4
343.16745	11.7
345.18414	5.3
357.18521	9.6
361.17883	21.6
363.19217	4.5
371.14911	17.2
373.17303	21.3
375.19562	26.7
385.17889	7.9
403.19092	24.8
405.20642	13.9
417.20627	6.9
421.20139	12.1
435.21664	48.5
447.17151	4.4
453.22818	100.0
491.20520	5.3
539.22412	6.7
551.22705	7.0
601.27850	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	601.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36069	4.7
53.03947	10.7
55.01867	13.4
55.05517	26.8
57.07071	6.6
57.68266	5.3
65.03951	8.4
67.05496	28.1
69.03440	55.5
69.07069	16.5
70.06572	6.4
70.74907	9.4
70.75242	9.7
71.05003	13.9
79.05499	34.4
81.03425	25.4
81.07060	40.4
83.04984	30.9
83.08646	6.4
85.02894	22.8
87.00813	7.1
91.05478	62.0
93.07058	41.5
95.04989	28.1
95.08617	46.3
97.02898	18.1
97.06525	12.8
103.05489	19.6
105.01830	5.9
105.07046	78.3
106.07307	5.6
107.04955	12.9
107.08624	42.4
109.02882	13.2
109.06523	18.7
109.10180	14.8
111.04488	6.0
111.08144	6.4
115.05499	12.5
117.07013	27.2
119.04952	6.6
119.08597	67.6
121.06522	20.9
121.10147	35.1
123.04477	10.0
123.08097	16.1
123.11708	6.5
125.06070	6.7
125.09621	7.8
127.03938	23.7
128.06244	13.3
129.07040	18.1
131.04935	20.6
131.08559	42.3
133.06523	35.2
133.10155	50.3
135.04436	5.7
135.08072	23.7
137.05951	16.3
137.09673	12.1
139.07547	6.1
141.07010	15.9
142.07806	16.5
143.08566	41.9
145.06491	25.0
145.10138	52.5
147.08080	42.3
147.09047	6.6
147.11743	13.0
149.06026	7.8
149.09624	20.2
151.07591	6.8
153.05409	6.2
155.08574	21.7
156.09373	30.2
157.10127	63.9
158.10521	6.3
159.04420	10.1
159.08064	30.7
159.11707	22.3
161.06007	34.6
161.09595	32.3
161.13240	7.4
163.07584	17.5
165.07011	6.9
165.09134	13.8
166.07814	6.5
167.07190	6.9
167.08601	14.3
168.09416	9.9
169.06483	7.3
169.10086	32.6
170.10956	20.7
171.08066	23.9
171.11702	72.2
173.06006	16.0
173.09641	46.3
173.13237	9.7
175.07614	21.0
175.11324	8.7
177.05550	9.3
177.09117	18.3
178.07916	5.8
179.07083	12.9
179.08559	11.8
179.10596	8.5
180.09230	7.0
181.10129	15.3
183.08054	14.5
183.11714	66.6
185.09657	23.3
185.13304	54.4
187.07611	13.6
187.11183	16.0
187.14865	7.5
189.05530	20.1
189.08978	7.6
192.09357	9.0
193.08531	6.2
193.10144	17.2
193.12354	5.6
195.08089	12.3
195.11737	19.9
197.09624	14.9
197.13318	15.1
198.10475	7.4
199.11197	50.8
200.11974	10.8
201.09180	10.2
201.12788	6.5
204.09422	6.1
206.10948	9.2
207.11752	23.0
208.12369	8.7
209.09621	11.1
209.13278	20.6
210.10298	7.5
211.11139	15.7
213.09175	9.8
213.12825	34.6
215.10619	13.2
215.14389	7.5
217.08438	10.4
217.12169	9.6
219.11745	8.0
220.12575	13.2
221.13332	18.6
223.11244	12.9
223.14851	6.7
225.09099	8.2
225.12744	8.6
227.10616	9.3
229.10182	9.4
229.12265	19.6
231.11876	10.5
231.13846	23.7
232.12364	9.6
233.09682	8.9
233.13290	16.0
234.13974	7.0
235.11250	13.9
235.14886	11.4
238.12199	8.3
239.10670	6.2
241.09863	15.6
241.12321	22.1
242.10849	7.0
243.11853	9.0
243.14006	7.7
244.12598	14.6
245.09708	6.8
245.13280	20.3
246.13942	8.2
247.11247	11.5
247.14909	13.5
249.12737	9.0
249.16490	7.4
251.14278	10.8
253.12273	8.5
255.11774	8.7
255.14973	67.2
256.12488	11.9
257.13327	11.5
258.14166	6.8
259.13193	13.2
260.11859	7.5
260.15649	7.4
261.12692	14.2
261.16400	12.8
263.14383	12.4
265.12268	9.9
269.13309	8.6
270.14005	10.2
271.11307	9.0
271.14639	12.4
272.15610	6.9
273.12723	9.2
273.16333	18.8
275.14563	13.3
275.17838	10.1
277.16000	10.8
281.22678	9.5
285.12558	10.1
285.16382	8.9
286.16953	6.5
287.10211	7.8
287.14276	10.7
291.17392	9.5
297.12527	9.9
299.14157	11.0
299.23642	8.5
301.12143	8.7
303.17419	13.4
305.15439	8.2
307.16882	15.5
313.15714	13.9
317.24799	7.3
319.16696	12.4
320.17792	11.5
321.18533	18.3
327.17380	7.1
329.15372	9.8
331.13324	9.9
331.16882	20.7
341.15201	9.2
343.16959	13.5
345.18356	19.6
347.12427	24.3
347.16306	13.0
349.17850	11.3
355.17075	10.7
359.16428	23.1
361.17950	7.6
369.91003	6.6
373.18115	31.8
375.19315	9.2
377.17398	21.3
383.16333	7.9
389.17371	14.2
391.19049	36.0
395.18640	12.8
401.17523	47.5
403.18958	9.3
409.20145	18.6
419.18610	87.8
420.19107	9.6
437.19638	75.9
455.20871	38.5
461.19717	8.7
479.20737	11.7
497.21381	10.8
523.23181	9.9
541.24097	9.1
565.24121	9.0
583.25433	11.2
600.40894	13.2
601.26666	100.0
601.40656	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	601.2647
Annotation	Swietemahonin G
Peak:m/z	Relative Intensity
53.03941	4.5
55.01850	3.0
55.05502	10.2
65.03949	3.1
67.05498	8.8
69.03432	26.8
69.07066	7.7
77.98425	3.2
79.05483	13.3
81.07063	10.2
83.04964	8.6
86.02692	3.0
91.05488	26.9
93.07042	13.3
95.04963	8.1
95.08589	6.6
97.02870	4.4
97.06517	5.9
103.05463	9.1
105.07025	43.6
107.08599	14.3
109.06507	9.5
109.10159	8.2
115.05467	8.7
117.07015	17.8
119.04932	9.8
119.08588	33.7
119.58305	3.2
121.06500	6.7
121.10147	9.2
125.02330	5.1
128.06238	6.0
129.06979	9.1
131.04912	6.0
131.08574	28.0
133.06537	17.8
133.10143	22.6
135.04399	4.4
135.08054	11.9
141.06982	9.5
142.07762	13.2
143.08557	22.9
145.06490	12.9
145.10132	21.1
147.08076	19.8
147.11694	5.2
149.09621	10.8
153.07004	7.2
153.09109	3.1
154.07710	3.6
155.08575	15.4
156.09341	15.7
157.06398	6.0
157.10124	35.2
159.04440	4.9
159.08075	15.5
159.11676	11.6
161.05980	22.9
161.09598	18.0
163.07579	6.6
167.08537	7.0
169.10141	20.5
170.10841	6.7
171.08115	10.0
171.11682	53.9
173.06174	3.7
173.09630	14.3
173.13287	5.0
175.07520	17.7
175.11186	4.1
177.05542	4.9
177.09094	11.5
178.07826	4.3
179.07068	8.0
179.08473	5.8
181.10123	10.0
183.08076	8.0
183.11682	26.8
184.08841	5.9
185.09654	12.8
185.13257	30.5
185.51010	3.3
186.36699	3.3
187.07558	4.4
187.11151	11.3
189.05495	9.2
189.09152	5.2
189.12842	4.4
190.07747	4.2
191.07016	4.6
191.10660	7.8
193.10091	7.2
194.10938	4.1
195.08150	5.1
195.11684	13.6
196.08711	3.9
197.09628	14.1
197.13235	11.0
198.10466	4.6
199.11179	42.2
200.11824	3.6
201.05455	4.7
201.09186	3.9
201.12756	6.3
203.06956	4.4
203.10678	4.5
206.11005	3.7
207.11690	12.8
208.12447	7.3
209.09662	7.9
209.13245	9.5
211.07524	5.8
211.11195	7.7
213.09146	9.1
213.12740	36.8
214.09729	3.7
215.10593	9.3
217.08476	5.4
217.10272	8.0
217.12097	4.8
218.10966	4.8
219.11784	5.9
220.12431	3.9
221.13184	9.3
223.11102	9.1
223.14775	4.1
224.11885	4.9
225.09135	8.8
227.10635	7.6
229.12241	10.0
230.10820	4.2
231.11742	7.7
231.13702	25.6
232.12425	5.4
233.13318	6.5
234.14116	4.8
235.11098	6.1
235.14848	5.6
237.12743	4.5
241.08424	5.6
241.12228	9.6
243.13806	4.7
245.13281	12.4
246.13919	6.9
247.11160	5.4
247.15016	7.8
249.12651	5.9
249.15010	3.8
253.08624	4.0
254.10881	4.2
255.11844	5.3
256.12384	6.6
257.13342	7.8
258.14072	6.4
259.13052	16.6
260.12006	4.4
260.15424	4.0
261.16617	4.2
269.13251	8.8
270.14017	6.7
271.14816	8.1
273.12747	6.5
273.16217	5.3
275.14407	5.2
275.17853	5.3
277.14551	4.7
282.13885	4.6
285.12973	5.5
285.16388	9.8
287.14392	7.9
287.17822	4.5
289.12323	7.0
291.13583	4.3
297.16284	3.7
299.11169	3.8
299.14328	9.9
299.17517	4.6
301.15787	5.7
303.13922	7.3
303.17096	6.2
307.13425	4.7
312.14740	4.3
313.15875	6.4
315.13855	7.9
315.17294	5.3
317.15213	5.8
319.16882	4.8
325.12387	3.8
327.17361	8.9
329.15247	4.2
331.13593	3.7
331.17020	14.1
337.14844	4.8
341.15411	9.3
343.16995	4.5
345.18408	18.0
347.20264	4.6
349.17996	5.1
355.16946	11.5
357.18744	4.5
359.16595	22.6
361.18066	7.6
363.19461	5.6
371.16687	4.8
373.18100	32.2
375.19611	7.4
377.17566	11.0
383.16422	12.3
389.17377	7.9
391.18958	33.8
401.17471	53.7
405.20624	6.8
407.18536	6.3
409.19943	11.6
419.18518	100.0
423.21039	5.8
437.19559	60.4
455.20465	12.3
479.20767	16.4
497.21619	13.5
505.22375	4.1
583.25500	10.7
601.29321	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	601.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22377	3.2
55.01870	5.3
55.05506	8.2
67.05499	8.0
69.03438	38.0
69.07056	8.5
70.51960	3.1
72.96635	3.6
79.05491	16.4
81.03407	6.1
81.07059	11.3
83.04977	10.4
91.05491	25.5
93.07039	16.0
95.04959	8.2
95.08591	11.7
97.06512	5.1
98.21533	5.9
103.05474	12.5
105.07036	48.6
107.04927	5.5
107.08584	13.4
109.06503	5.4
109.10180	4.8
115.05448	8.3
117.07010	20.8
119.04924	4.9
119.08580	42.0
121.10135	10.2
123.08090	4.9
128.06226	10.3
129.07027	14.8
130.07744	4.9
131.04922	8.8
131.08600	23.1
133.06516	20.0
133.10130	27.7
135.08070	7.2
141.06958	9.9
142.07780	14.8
143.08588	22.1
143.09509	4.5
145.06470	13.6
145.10164	23.2
147.08047	27.1
147.11658	5.7
149.06044	6.1
149.09616	14.8
151.07497	4.0
153.07036	4.8
155.08569	17.5
156.09337	14.9
157.10159	37.6
159.04433	7.0
159.08052	17.7
159.11708	16.3
161.06017	33.8
161.09601	20.9
163.07532	11.3
165.06979	5.0
167.08542	7.8
168.09270	4.5
169.06464	4.0
169.10167	26.5
170.10876	10.1
170.89676	4.2
171.08054	14.6
171.11694	60.9
173.06046	6.2
173.09619	19.0
173.13271	7.8
175.07562	17.0
175.11171	7.8
177.05537	7.1
177.09074	11.7
179.08548	9.0
179.10654	4.5
180.09450	3.9
181.10167	9.6
182.10927	4.3
183.08032	8.6
183.11674	46.0
184.08789	3.9
184.12384	4.0
185.09595	14.6
185.13284	34.6
187.07562	6.8
187.11140	17.0
189.05473	11.9
189.09149	8.6
191.10667	7.4
192.09244	4.8
193.10144	13.1
195.11713	18.0
196.12369	4.1
197.09589	10.9
197.13275	8.5
198.10432	4.8
199.07536	6.3
199.11182	29.2
201.09032	7.8
201.12715	9.1
203.10666	7.7
205.10236	6.3
206.10857	5.9
207.11694	13.6
209.09679	6.7
209.13226	4.4
211.11151	10.1
213.09048	6.4
213.12759	38.5
215.10648	7.3
217.08505	8.5
217.10309	6.2
217.12228	8.0
218.10971	4.5
219.09953	5.1
219.11787	9.1
220.12584	6.5
221.13248	10.4
223.11180	9.8
225.09253	7.1
227.10680	6.8
229.10329	6.2
229.12263	15.4
230.10840	5.3
231.11729	9.5
231.13724	31.3
232.12473	4.5
233.13306	10.5
235.14848	4.2
237.12788	7.1
241.12233	14.3
242.10843	4.5
243.11882	8.8
244.12541	7.5
245.13423	9.9
246.14052	4.3
247.14975	5.8
249.12727	4.0
254.10927	5.6
255.11893	7.5
256.12393	9.3
257.13425	7.5
258.13968	6.8
259.13092	17.8
263.14383	5.0
265.12347	3.8
269.13177	13.9
270.14169	11.1
271.11224	5.7
271.14709	13.1
273.12579	8.6
275.17975	5.9
277.14383	12.0
283.11313	6.8
283.14560	8.8
284.15720	4.9
285.12711	7.5
285.16354	10.3
286.13544	5.2
287.14249	9.0
287.17917	4.6
289.12277	8.2
289.15558	7.6
293.15295	5.0
297.12799	5.3
298.13428	6.7
299.14246	7.7
299.17770	8.3
301.15829	5.2
303.13736	7.5
303.17450	8.6
307.13269	5.2
311.14346	5.6
313.15796	8.8
315.13739	8.0
315.17349	7.7
317.11652	4.8
317.15234	5.7
321.14597	5.0
321.43088	4.3
327.13571	6.5
327.17328	12.2
329.15253	8.4
330.16116	4.6
331.13354	5.9
331.16959	14.8
340.14313	4.9
341.15350	16.0
343.16980	6.5
345.18475	15.9
347.20044	5.7
355.16907	17.5
357.18445	4.4
358.15671	5.9
359.16467	17.0
361.14145	8.1
363.19492	6.5
371.16443	4.6
372.60767	4.5
373.18054	33.0
375.19760	7.9
377.17584	15.8
383.16446	10.4
389.17386	7.1
391.19067	27.6
401.17471	52.6
407.18680	5.4
409.20010	11.3
419.18546	100.0
420.18256	4.6
437.13889	2.7
437.19608	67.6
455.20416	11.7
461.19254	6.1
479.20538	8.8
497.21683	10.8
505.22964	5.0
583.26154	8.7
601.28949	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	601.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50460	2.8
53.03939	5.6
53.92402	2.9
55.01862	10.6
55.05504	6.7
57.03418	3.5
67.05513	13.9
69.03436	40.6
69.07056	4.3
73.41653	2.9
75.42797	3.2
79.05493	18.3
81.03431	13.1
81.07047	4.8
83.04991	8.1
91.05473	21.6
93.07045	14.4
95.04992	18.0
95.08619	6.2
96.42275	3.0
97.02825	2.9
97.06564	4.4
103.05466	10.1
105.03385	5.1
105.07043	32.0
107.04967	9.0
107.08590	8.8
109.06520	12.9
115.05457	8.8
117.07027	9.5
119.04962	5.1
119.08575	15.3
121.02885	6.1
121.06525	9.4
121.10178	3.5
123.04398	5.8
123.08071	3.3
128.06235	8.8
129.06993	12.1
131.04903	14.7
131.08562	20.3
133.06496	23.6
133.10175	7.3
135.04364	3.5
135.08061	10.6
137.06006	5.6
141.06999	5.3
142.07796	9.1
143.08568	22.5
145.06519	18.1
145.10136	13.5
147.08087	12.5
149.06039	7.4
149.09708	5.0
155.08522	8.6
156.09358	12.6
156.58289	3.0
157.06525	7.5
157.10127	10.3
158.07346	4.7
159.08076	20.8
159.11737	6.1
161.05992	38.0
161.09605	12.2
163.07526	11.6
165.07022	10.1
166.07869	4.5
168.09354	3.7
169.06566	4.1
169.10130	11.6
171.08029	10.3
171.11755	18.0
173.06024	5.8
173.09624	6.1
173.13275	3.7
175.07608	6.3
177.05553	4.8
178.07704	3.3
179.07039	12.8
179.08524	6.8
181.10130	5.9
182.10994	3.7
183.08076	7.2
183.11650	5.5
184.08919	5.0
185.05998	11.7
185.09592	16.5
185.13379	4.0
187.07555	11.4
187.11212	8.4
189.09103	11.1
193.10144	4.9
195.08148	4.8
195.11728	5.5
197.09682	21.5
197.13232	4.2
198.10388	3.5
199.07605	7.8
199.11183	35.9
200.12030	5.8
201.09047	6.0
201.12788	14.0
205.08618	8.8
207.11737	6.2
208.08961	3.7
209.09636	10.8
209.13573	4.4
211.07751	3.4
211.11220	9.4
213.05515	9.3
213.09055	19.5
213.12759	6.9
215.10791	6.5
217.08565	23.3
221.09668	5.9
223.11121	3.6
225.09138	17.6
225.12871	3.6
227.10661	31.0
229.12251	4.4
229.71994	3.3
230.05731	4.0
231.10217	4.4
237.09073	6.6
239.10767	8.7
241.12320	7.3
243.10132	7.0
245.08078	100.0
249.11150	4.5
255.10104	6.3
257.08002	5.0
257.11746	7.7
273.11548	3.3
285.11307	7.0
287.12711	20.7
303.12375	5.7
313.14395	6.9
317.15421	3.9
319.15347	3.4
329.15472	5.2
341.14005	8.7
343.16055	3.9
347.16528	4.5
357.14914	4.8
359.16577	7.0
371.14920	68.8
372.15768	8.4
373.16458	51.4
375.16092	4.9
375.24866	4.1
377.17505	4.9
379.19110	3.8
387.15952	12.0
389.15872	7.6
405.16879	6.2
421.15878	3.5
423.17801	8.1
433.16409	5.9
447.17932	14.4
453.19080	9.2
465.19180	13.5
468.17770	4.3
483.20364	16.1
491.20764	18.6
533.21991	15.8
539.22662	36.7
541.20850	15.1
551.23071	30.3
569.22894	9.9
601.22974	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	601.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.9
55.01863	8.3
55.05517	45.0
62.39304	3.3
65.81261	3.3
67.05500	9.8
69.03421	5.4
69.21745	33.7
79.05472	14.8
81.03413	4.5
81.07043	11.9
83.04488	5.6
83.04987	100.0
91.05490	23.8
93.07038	12.2
95.04953	15.4
95.08603	10.1
103.05476	22.1
105.03387	8.0
105.07041	35.0
107.04961	6.5
107.08589	11.2
109.06509	12.8
115.05469	7.8
117.07016	13.2
119.04982	4.9
119.08595	24.5
121.02837	3.8
121.06472	10.4
121.10149	4.7
123.04443	3.4
123.08070	7.5
128.06242	7.7
129.07018	15.0
131.04945	45.3
131.08612	24.3
133.06506	12.9
133.10110	12.9
135.04390	4.2
135.08044	7.0
137.05992	8.3
138.10320	3.5
141.06972	8.2
142.07782	8.4
143.08592	22.9
145.06496	14.1
145.10127	13.3
147.04414	5.6
147.08067	14.0
147.11728	5.4
149.05965	6.0
149.09598	8.0
151.07597	3.6
153.06952	3.5
155.08504	9.5
156.09332	6.1
157.06454	4.1
157.10179	18.8
158.07254	4.1
159.08076	23.5
159.11699	7.5
161.05992	20.8
161.09610	15.1
163.07523	11.0
165.07033	7.2
167.08537	7.2
168.09312	6.0
169.10141	13.4
170.10883	6.3
171.08086	19.3
171.11671	27.9
172.08832	4.0
173.06013	6.0
173.09607	13.6
173.13243	7.2
175.07574	9.6
175.11215	3.9
179.07053	8.2
179.08516	7.0
181.10054	6.4
183.08069	7.5
183.11671	14.4
185.06015	7.0
185.09596	12.9
185.13237	11.0
187.07561	8.1
187.11162	8.0
189.09119	11.3
189.12785	4.2
193.10170	7.4
195.11670	5.8
197.09630	12.8
197.11386	3.1
197.13290	6.8
199.07530	4.7
199.11198	24.0
200.11810	4.0
201.09135	8.1
201.12738	14.8
203.07008	5.5
203.10692	3.6
205.08565	8.7
207.11781	9.0
209.09616	6.7
209.13277	4.9
211.07469	5.9
211.11180	9.5
213.05527	4.0
213.09061	9.8
213.12738	13.4
215.10709	6.1
217.08595	14.5
218.10947	5.1
221.13371	6.1
222.10428	3.7
223.11249	5.3
225.09123	11.1
227.10675	21.6
229.12216	6.4
230.10953	4.9
231.09999	6.2
233.09758	3.9
233.13264	6.5
235.09491	7.1
235.14990	4.2
237.12790	4.5
241.12366	5.0
245.08037	32.2
245.11583	7.4
246.14096	3.5
251.14391	4.2
253.12428	5.5
257.11719	5.2
259.13278	4.7
260.15390	4.6
261.16312	5.6
262.13541	4.0
263.14191	4.7
272.12088	5.1
273.14801	5.2
274.77795	3.8
275.17825	3.5
279.17252	4.2
285.11426	4.4
285.16302	4.4
287.12814	13.1
287.18118	3.9
303.12302	11.8
305.13858	16.8
331.16882	6.4
343.16449	4.1
345.18509	5.8
357.18204	4.9
373.18033	7.4
377.17337	7.3
385.16501	21.7
387.18280	22.9
391.19083	4.3
403.18991	5.0
405.16870	11.4
405.20599	5.2
415.15387	4.8
419.18402	5.7
433.16330	8.5
453.18527	5.0
465.18857	20.4
479.24136	6.3
483.20093	16.5
505.22003	6.2
547.23340	7.8
553.24567	12.0
565.23999	14.8
583.25061	13.8
601.27002	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	601.264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05410	1.4
53.03936	3.5
55.01873	1.6
55.05515	62.8
55.05787	3.1
67.05502	5.3
69.03432	2.6
69.07056	2.3
69.24454	12.0
71.04978	3.8
79.05502	10.8
79.35870	1.2
81.03410	3.1
81.07055	8.9
83.04989	100.0
88.46933	1.2
91.05499	11.5
93.07060	9.7
95.04970	6.0
95.08627	6.7
97.06530	2.1
98.20785	2.8
103.05490	5.8
105.03389	1.4
105.07034	14.7
107.04948	4.2
107.08595	9.8
109.06527	4.1
115.05455	2.6
116.33732	1.4
117.07055	8.9
119.04935	1.9
119.08604	13.0
121.06524	3.8
121.10133	3.7
123.08129	1.6
128.06242	4.2
129.06993	5.9
131.04922	11.0
131.08620	7.1
131.09419	1.3
132.05228	2.0
133.06516	6.0
133.10139	6.4
135.08061	6.6
135.10179	1.3
141.07027	1.5
142.07793	5.1
143.08563	7.9
145.06494	5.8
145.10159	7.9
146.07291	1.6
147.04410	2.1
147.08040	5.3
147.11696	1.9
149.06023	2.0
149.09634	11.7
151.07529	1.9
153.06998	1.8
154.07785	2.3
155.08589	5.6
156.09346	6.4
157.06462	1.5
157.10133	26.8
159.08070	5.6
159.11711	6.0
161.05983	4.9
161.09598	4.6
163.07590	3.9
165.07031	2.4
167.08617	2.0
168.09431	1.6
169.10143	11.1
170.10922	3.6
171.08083	4.1
171.11707	24.1
173.09633	6.9
173.13266	3.9
175.07578	3.7
177.09077	2.4
179.07080	2.2
179.08574	3.4
181.10164	5.9
182.10950	2.0
183.08047	2.5
183.11719	14.4
185.09612	4.8
185.13243	10.3
187.11189	5.0
189.05464	2.5
189.09039	2.1
191.07040	2.0
191.10638	2.2
193.10135	5.1
194.10976	2.5
195.11708	5.9
197.09654	4.0
197.13271	3.6
199.07547	1.4
199.11208	7.5
201.12704	2.3
203.10789	1.4
204.09332	1.7
205.10178	3.4
206.10869	3.7
207.11789	7.9
208.12428	1.7
209.09669	2.5
209.13284	5.3
211.11241	3.2
213.09132	2.5
213.12779	7.0
215.10738	2.5
216.09435	1.8
217.10165	3.1
217.12302	3.9
218.10912	2.8
219.11754	4.4
220.12471	2.2
221.13193	6.5
223.11186	1.5
223.14793	3.7
225.09044	1.8
225.12727	2.4
227.10600	2.6
229.12265	3.4
231.11731	4.6
231.13852	6.1
232.12508	4.0
233.13248	5.2
234.13988	3.2
235.11252	2.5
235.14937	7.6
236.15697	1.8
237.12810	3.3
237.16307	1.9
243.11865	2.6
244.12424	3.6
245.13281	5.3
245.15454	3.1
246.14009	4.2
247.15099	6.3
249.12578	2.6
249.16389	5.9
251.10739	1.3
251.17931	1.9
256.12628	2.0
257.13437	3.5
258.14087	3.3
259.14835	4.5
261.12714	3.0
261.16391	4.4
262.13367	1.5
263.14215	4.4
263.18118	1.3
265.15872	2.8
267.17307	1.5
269.13480	1.6
270.14359	1.3
271.14713	2.1
273.12619	1.8
275.14523	2.5
275.17801	1.4
277.15979	3.2
283.14587	1.4
285.12897	1.7
285.16367	2.1
286.13531	1.7
287.14413	1.6
287.17920	1.8
288.15030	1.7
289.12201	2.3
289.15744	3.6
291.14194	1.3
291.17505	2.6
299.14157	1.7
301.15845	4.7
303.13913	2.6
303.17142	2.5
305.14917	1.6
307.16757	1.8
307.20502	3.2
309.18277	1.7
313.15952	1.7
315.17465	3.5
317.15225	3.1
319.16821	3.8
321.18442	3.1
325.21814	1.5
329.15018	1.6
331.16864	2.6
333.18460	3.3
335.16373	2.6
337.18051	2.7
341.15338	1.6
345.14813	5.4
345.18594	2.2
347.16327	4.4
347.20132	1.8
349.17993	6.0
355.19214	1.8
359.16443	3.7
360.25009	1.4
361.17761	3.5
363.15787	3.7
363.19711	3.0
365.17303	2.0
373.21732	2.5
375.19370	2.3
377.17316	7.0
379.18869	2.8
385.16391	1.4
389.17471	2.7
391.18817	2.4
391.23096	2.0
392.37640	1.5
393.20551	2.9
395.18466	1.7
405.17017	4.7
409.20065	5.5
419.18427	6.0
421.20105	2.8
423.17801	2.4
427.21384	2.8
437.19507	10.8
439.21246	3.0
455.20636	4.0
457.22379	2.0
465.19220	2.3
473.21924	1.6
488.73471	1.5
517.21698	1.4
569.31403	2.1
601.34009	26.3
605.21356	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01862	9.3
55.05510	5.6
57.02295	2.8
58.89455	2.5
61.30455	2.5
67.05513	13.0
69.03440	21.9
71.55613	3.4
71.79327	2.4
73.93748	2.6
74.21929	2.5
79.05486	9.2
81.03411	16.3
81.07050	5.7
83.04974	10.2
90.12408	3.3
91.05478	23.4
93.07025	10.0
95.04967	19.5
95.08607	4.0
103.05462	18.4
105.03381	4.9
105.07041	31.1
107.04950	3.7
107.08601	6.6
109.06515	5.5
115.05463	7.6
117.07015	12.0
119.04967	3.6
119.08600	20.1
121.02859	7.9
121.06509	11.7
121.10116	4.1
123.04385	3.5
128.06233	7.4
129.06989	9.8
130.07851	4.0
131.04953	25.7
131.08569	21.5
133.06499	29.1
133.10138	12.6
134.99791	2.6
135.08043	6.8
137.06052	4.5
141.06970	4.6
142.07785	6.4
143.08536	17.2
145.06468	19.2
145.10121	15.5
147.08072	21.7
147.11729	3.4
149.06120	4.0
149.09618	3.1
153.06950	5.5
155.08545	9.3
156.09361	7.1
157.06508	5.6
157.10138	13.8
158.07272	5.2
159.08078	15.9
159.11653	9.8
161.06007	32.9
161.09650	15.6
163.07532	8.8
163.11186	18.6
165.07022	5.0
166.07674	3.9
167.08531	3.3
168.09341	3.5
169.10135	11.4
171.08058	11.9
171.11702	18.2
173.05995	5.5
173.09639	21.6
175.07552	7.7
177.09015	3.1
179.07065	4.8
179.08528	5.5
181.10117	9.9
183.08031	7.0
183.11722	10.1
185.05989	5.8
185.09645	14.0
185.13274	3.5
186.10295	3.0
187.07513	6.8
187.11206	8.6
189.09099	16.4
192.09396	2.8
193.10184	6.4
195.08070	3.4
195.11710	6.7
196.08754	3.5
196.12357	3.9
197.09683	14.8
197.13240	5.0
199.07521	6.6
199.11142	24.3
200.11906	4.0
201.09169	14.0
201.12758	6.6
203.06987	6.0
203.10535	3.0
205.08496	3.7
205.12271	4.7
206.10963	3.8
207.11697	6.8
209.09650	8.8
209.13228	3.2
210.10294	3.8
211.07622	5.7
211.11185	9.7
213.05368	5.8
213.09135	15.7
213.12741	6.3
215.10701	8.4
217.08653	7.3
221.13274	5.9
223.11160	7.5
225.09120	8.7
225.12708	4.5
227.10599	16.5
229.08525	24.2
229.12175	3.9
231.11827	3.8
233.13278	4.3
235.11288	3.4
235.14868	4.9
237.12810	3.9
239.10750	6.0
241.12265	5.5
244.12558	3.5
245.08069	45.5
245.13322	3.6
247.11124	4.5
249.12764	3.9
251.10622	5.1
257.13358	5.3
263.14243	7.6
271.14728	3.1
274.13736	3.5
275.14297	4.3
281.15335	7.8
285.11536	3.3
287.12662	3.7
289.15952	3.2
299.13882	3.6
300.15097	4.6
301.15829	5.2
305.15240	3.7
315.13821	3.6
315.17209	4.6
319.13263	5.0
328.14749	3.9
329.15482	3.8
331.16925	19.1
333.14844	5.9
333.18509	6.4
341.13962	7.2
343.16919	12.5
345.18579	5.8
347.19925	4.4
357.18585	11.2
361.18015	21.4
371.14948	36.8
372.15741	4.8
373.17004	30.4
375.15714	4.7
375.19666	36.7
377.17374	5.5
385.17813	7.7
387.15704	6.5
403.19278	25.4
405.20862	6.6
417.20822	7.3
421.20441	12.7
423.21640	4.9
433.16537	3.8
435.21790	58.5
447.17856	6.1
453.22849	100.0
465.18616	5.0
483.19983	8.5
491.20709	7.3
533.21851	6.6
539.23047	16.1
551.22565	16.8
561.86578	3.5
569.24432	3.7
601.26904	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	601.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.4
55.01860	13.0
55.05515	72.7
56.05855	9.0
57.03434	5.2
61.71571	4.9
61.82570	4.4
64.71915	4.7
67.05499	18.7
69.03429	13.3
69.07053	9.3
69.18606	25.8
69.19038	21.0
79.05496	33.2
80.05814	5.7
81.03420	19.4
81.07069	25.0
82.07379	4.9
83.01318	6.5
83.04988	100.0
84.05311	17.5
85.02914	7.4
91.05496	67.7
92.05794	6.3
93.07057	44.2
95.04982	26.6
95.08595	21.3
97.02885	7.6
97.06532	8.7
103.05469	15.9
105.07037	68.1
106.07381	10.6
107.04948	8.2
107.08591	24.5
109.06524	22.4
109.10170	6.2
115.05458	23.8
117.07024	34.8
118.07370	4.5
119.04961	10.9
119.08599	60.2
121.06496	13.2
121.10172	12.3
123.04416	11.2
123.08053	16.5
128.06218	21.5
129.07028	29.3
131.04944	17.7
131.08595	40.8
133.06499	33.1
133.10179	23.9
134.10483	7.1
135.04375	5.8
135.08037	19.4
135.24239	4.9
137.05937	8.8
137.09581	9.0
141.07002	11.4
142.07809	25.2
143.04832	5.5
143.08568	45.7
144.08922	7.3
145.06485	28.7
145.10132	19.8
147.08043	38.7
148.08366	7.7
149.05959	11.5
149.09612	13.5
151.07524	10.0
153.06970	9.9
154.07800	5.7
155.08575	20.5
156.09311	17.3
157.06474	15.6
157.10136	39.1
158.07355	5.8
158.10492	9.1
159.08070	30.8
159.11664	13.0
160.12109	5.3
161.06000	30.6
161.09608	20.3
162.06279	8.7
162.09903	7.1
163.07631	23.9
165.07008	14.0
165.09206	9.4
166.07742	12.7
167.08589	13.3
169.06509	11.6
169.10129	27.7
170.10684	9.6
171.08083	19.7
171.11693	54.1
172.08662	5.5
172.12041	19.3
173.06007	13.5
173.09637	21.6
173.13306	8.1
174.10056	7.7
175.07603	24.7
177.09145	25.6
178.65318	5.1
179.07109	7.0
179.08492	11.2
180.09399	8.9
181.06506	7.7
181.10062	20.1
183.08020	23.0
183.11652	29.2
184.08784	10.8
184.12054	15.6
185.05937	6.7
185.09624	21.3
185.13341	34.2
186.10008	6.6
186.13530	10.8
186.43599	4.9
187.07568	5.6
187.11098	11.0
189.05478	10.1
191.10625	8.6
192.09363	9.4
193.10126	14.1
194.10670	6.1
195.08080	11.7
195.11681	14.5
197.05952	5.5
197.09639	20.4
197.13275	18.2
198.10175	6.3
199.07513	16.4
199.11223	48.3
200.11641	6.5
201.09201	11.8
201.12796	8.8
203.06982	10.9
203.10641	5.5
205.08574	8.6
205.10330	6.3
206.10957	10.3
207.08191	8.3
207.11678	18.6
208.12254	8.4
209.09599	16.1
209.13271	9.9
210.10213	6.4
210.13571	4.9
211.07504	13.2
211.11168	14.7
213.09041	9.6
213.12834	32.8
214.13095	13.0
215.10663	14.4
217.08487	11.3
217.10347	9.9
218.10832	8.1
219.11697	9.3
220.12636	5.2
221.09572	16.6
221.13158	7.2
222.10379	9.0
222.13838	5.3
223.11133	17.3
223.14684	5.4
224.11652	6.1
225.09116	15.2
225.12646	8.6
227.10645	11.7
230.10776	5.6
231.11690	9.5
231.13774	11.6
232.12279	10.4
233.13162	10.2
234.13692	11.8
235.11171	10.2
235.14569	6.4
236.08218	6.3
236.11838	7.2
236.15305	6.6
237.12698	13.6
239.10689	5.4
241.12244	12.3
242.10732	6.4
243.13799	6.1
244.12439	6.4
245.09673	5.9
245.13310	11.6
245.15564	8.0
246.10391	6.2
246.13910	7.4
247.11369	5.9
247.14851	10.0
249.09073	9.3
249.12856	7.2
251.10640	12.8
253.12292	19.9
255.11598	9.8
255.13869	7.8
257.13446	6.8
259.13171	7.2
260.11624	6.9
261.08914	5.2
261.16199	5.2
263.10660	14.4
263.14185	10.3
264.79419	5.5
265.12314	14.3
265.15765	5.0
272.15604	6.0
273.12646	9.4
273.15332	5.6
275.14386	8.0
277.15991	10.3
279.13794	7.5
281.11765	15.2
283.14755	5.9
286.13428	6.9
287.14023	8.1
287.17841	7.1
291.13693	12.0
293.15198	9.4
301.15460	5.8
303.13779	15.9
305.15451	7.7
314.12790	9.4
315.13727	7.8
320.17288	6.4
321.14737	6.0
329.15225	6.0
331.13034	10.1
331.16858	12.1
332.13202	5.3
333.18082	6.2
341.14072	12.0
343.16882	6.3
345.18161	13.1
357.14621	6.1
357.18652	8.5
359.19601	7.6
363.15674	7.5
375.19699	11.7
376.19818	5.8
377.16956	10.0
377.20966	8.6
381.16843	6.0
385.14322	8.6
387.18643	6.4
395.21933	5.9
403.15176	12.3
403.19626	6.8
404.19379	17.3
405.19901	28.4
421.16272	16.4
421.20911	8.9
422.20355	7.8
423.20926	34.1
451.17468	14.3
453.18878	14.9
463.17511	14.6
481.18466	58.7
483.22781	14.9
499.19867	7.8
501.23770	11.8
565.20374	8.1
583.21295	76.9
601.29150	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01875	8.4
55.05505	4.1
57.03420	2.0
65.03925	1.5
67.05497	7.2
69.03426	4.0
69.07040	1.9
69.22333	4.6
69.22733	1.7
71.04969	1.5
79.05499	12.9
81.03420	9.4
81.07072	5.8
83.01327	1.8
83.04986	8.4
84.05318	0.8
85.02885	2.7
91.05482	18.3
93.07043	9.1
95.01303	2.7
95.04973	18.4
95.08604	4.7
97.02872	2.7
97.06517	1.6
98.20707	1.4
99.04453	0.8
103.03931	3.0
103.05461	7.7
105.03359	2.6
105.04490	1.6
105.07034	32.0
107.04944	7.1
107.08570	2.9
109.02867	1.8
109.06518	8.4
111.04409	2.4
115.04791	0.9
115.05446	9.8
116.06226	1.9
116.35988	0.7
117.07024	10.0
119.04971	5.3
119.08562	8.4
121.02858	2.0
121.06508	9.4
121.10126	2.3
123.04414	4.1
123.08068	3.6
125.05989	4.7
128.06215	11.8
129.07008	12.5
130.07787	2.4
131.04933	7.2
131.08569	12.4
133.06499	34.9
133.10133	3.7
134.07277	1.0
135.04422	7.0
135.05351	1.2
135.08054	6.2
136.11330	0.7
137.05949	7.0
139.03889	1.4
141.06989	9.7
142.07782	11.6
143.08560	30.1
144.05687	1.1
144.09351	1.2
145.06499	11.9
145.10112	6.3
146.07286	1.8
147.04407	3.0
147.08055	8.1
149.06000	5.3
149.09631	1.8
151.07507	4.8
152.06224	1.4
153.05486	2.1
153.06985	4.6
154.07747	5.1
155.06004	1.3
155.08559	12.8
156.09352	21.9
157.06505	6.9
157.10130	16.6
158.07262	5.2
159.04399	1.0
159.08054	13.4
159.11720	4.7
160.08755	1.2
160.22969	0.9
161.05989	39.6
161.09639	3.9
162.06726	1.4
163.03970	1.2
163.07553	9.5
165.05455	4.3
165.06998	6.6
166.07759	7.0
167.08536	6.4
168.05635	1.2
168.09282	2.1
169.06474	10.6
169.10123	18.8
170.07251	4.0
170.10890	3.3
171.08073	14.9
171.11693	25.5
171.13139	1.5
172.08798	4.2
172.12445	0.9
173.06023	4.0
173.09636	8.2
173.13257	3.2
175.07564	8.2
175.11206	1.4
177.05437	2.0
177.09103	2.6
178.07803	2.2
179.07025	8.3
179.08577	8.0
180.09328	2.9
181.06487	2.4
181.10133	9.3
182.07271	4.9
182.10855	1.7
183.08055	14.1
183.11688	5.7
184.08847	16.1
185.06038	3.7
185.09619	11.3
185.13098	3.6
186.06700	0.9
186.10400	1.9
187.07565	7.3
187.11176	7.2
189.05385	2.5
189.09079	4.7
189.12755	1.2
190.07753	1.2
191.07050	1.5
191.08633	1.8
192.09344	3.2
193.10153	8.9
194.10902	1.7
195.08038	7.4
195.11726	5.3
196.08844	3.9
197.05954	1.9
197.09631	26.8
197.13220	2.0
198.06631	1.4
198.10390	5.7
199.07567	8.6
199.11186	100.0
200.08406	0.8
200.11667	1.5
201.05423	1.5
201.09155	6.0
201.12756	2.3
202.07726	1.2
203.06975	3.3
203.08665	1.4
203.10602	1.7
204.09351	1.3
205.06822	1.0
205.08571	3.2
205.10208	2.4
206.07333	1.2
206.10883	1.7
207.08223	3.7
207.11681	5.1
208.08835	2.0
209.05945	1.1
209.09660	7.0
209.13211	3.4
210.06734	1.2
210.10355	2.6
211.07637	6.3
211.11156	8.8
212.08304	1.6
213.05463	1.3
213.09123	14.3
213.12654	6.1
214.09821	1.5
215.07007	2.3
215.08701	1.2
215.10648	14.6
216.09427	1.5
217.04968	0.8
217.08414	6.9
217.10239	2.1
217.12241	2.6
218.11032	1.4
218.72571	0.7
219.08061	2.3
219.10083	2.1
219.11734	3.1
220.08800	2.2
220.12415	1.1
221.09662	6.4
221.13255	1.9
222.10387	2.3
223.07550	3.3
223.11214	5.9
224.11870	1.0
225.05652	1.7
225.09113	30.5
225.12756	3.1
227.07010	2.2
227.10608	7.2
229.08273	3.9
229.10373	1.8
229.12256	2.8
230.10921	2.1
231.08212	1.1
231.11703	2.8
232.12422	1.6
233.09601	3.2
233.13228	2.7
234.10284	1.8
235.07491	3.3
235.11385	4.6
235.14781	1.1
236.08334	1.6
236.11996	1.1
237.09158	3.9
237.12653	4.2
238.09827	2.0
239.06952	2.2
239.10724	7.3
239.14195	0.8
241.08517	8.6
241.12288	1.6
242.10921	1.7
243.06357	1.4
243.09988	11.1
243.13893	1.2
244.12541	1.5
245.07922	5.4
245.13251	2.4
246.10612	1.6
246.14037	1.0
247.11229	3.4
248.11813	1.7
249.09163	6.3
249.12717	2.6
250.09857	1.7
251.07091	1.9
251.10706	5.1
251.14343	1.6
253.08311	3.6
253.12321	4.6
254.11200	0.9
255.09903	6.7
255.13945	1.4
257.07849	10.1
257.11475	7.6
258.10416	2.2
258.13904	1.0
259.09396	11.0
259.14996	1.3
260.11859	1.0
261.09125	1.5
261.12936	1.9
261.16257	1.7
262.09879	1.2
263.10995	3.4
263.14395	1.7
264.11548	1.1
265.08408	1.3
265.12448	1.5
267.10126	5.8
267.14008	1.2
269.08035	0.8
269.12408	0.7
271.09464	8.2
271.14932	1.0
273.08755	1.3
273.12567	2.8
273.15271	2.0
274.13385	2.1
275.10474	1.5
276.11563	1.0
277.08423	0.9
277.12177	2.4
277.15948	1.4
278.13089	0.9
279.10211	2.9
279.13708	0.8
281.11646	5.3
283.11206	1.1
284.12042	1.5
285.11038	8.6
285.16010	1.0
286.13394	1.0
287.10526	2.0
287.14227	1.6
289.12228	3.0
289.15842	1.9
291.10394	1.0
291.13617	1.7
293.11691	1.2
295.10901	0.9
297.12579	1.5
298.13519	1.6
299.10425	1.2
299.13956	1.3
301.10626	5.1
301.15726	2.2
302.13074	1.1
303.12415	9.9
303.17184	1.5
305.11633	1.7
305.15158	1.7
309.11179	3.9
309.14825	0.9
311.13098	1.5
313.12103	1.5
313.15823	1.4
314.13025	2.0
315.10120	1.3
315.13675	3.9
315.17300	1.5
317.11722	1.3
317.15320	2.3
319.12451	2.5
319.16702	1.5
321.14166	1.1
325.12112	1.0
326.13043	1.1
327.13171	2.2
329.15329	2.8
331.13144	1.7
331.16971	6.0
333.14969	1.5
333.18579	1.7
335.16260	1.3
341.14969	1.6
343.13293	2.5
345.14304	2.4
347.12534	1.0
347.16412	2.9
349.14297	1.3
349.17966	4.2
353.11447	0.8
355.13406	2.7
357.14835	4.1
359.12796	1.8
359.16666	6.4
361.14001	1.9
363.15796	1.5
365.17682	1.4
371.12872	2.0
373.14310	4.9
375.15475	2.9
377.13550	1.0
377.17545	9.6
379.15604	1.1
383.12900	1.8
385.14169	4.8
387.14401	47.9
388.14764	1.0
389.13586	1.8
391.15448	2.2
393.17203	1.2
395.13736	1.2
395.18549	8.6
399.15710	1.1
401.09167	1.0
401.13525	4.1
403.14297	9.4
403.19290	1.3
405.16080	8.0
407.14838	1.0
413.13855	3.4
415.15308	1.6
417.17117	2.4
419.14954	3.2
421.16397	4.0
423.16333	1.2
429.15451	13.2
431.14868	4.6
433.16479	8.4
435.17792	2.1
437.15710	1.2
439.17227	1.4
445.16571	6.1
449.15982	3.0
451.17548	2.5
461.18118	2.8
463.17493	12.8
469.18570	12.0
479.20746	1.6
481.18588	7.9
497.21927	2.5
499.19879	4.8
505.18747	2.0
523.19720	1.8
533.18036	1.8
537.21155	1.0
541.20551	2.2
547.19647	3.0
551.18835	1.5
555.22437	0.9
565.20734	11.5
569.20306	2.6
569.30469	1.4
583.21704	14.0
583.30389	1.0
601.22827	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.6
53.00296	2.6
53.03938	7.0
55.05513	24.6
57.03424	3.8
57.07083	20.2
65.03934	3.3
67.05508	47.4
69.03427	14.2
69.07078	33.5
69.61976	8.3
69.62393	6.6
71.04987	4.6
71.08617	10.4
73.06536	2.8
75.94272	2.3
78.25287	2.5
79.05491	37.6
81.07063	51.3
83.05002	18.7
83.08629	25.4
85.06534	9.4
85.10175	7.1
87.04455	7.2
89.06031	51.2
91.04973	4.4
91.05490	66.6
92.06285	2.7
93.07052	72.4
94.95996	2.5
95.04968	25.1
95.08612	47.8
97.02871	2.4
97.06525	18.6
97.10168	6.5
103.05449	10.3
105.07036	100.0
106.07809	4.7
107.04977	6.5
107.08601	72.5
109.06539	18.1
109.10166	39.7
111.08100	5.6
111.11722	3.4
112.37892	2.3
113.09650	5.9
113.36050	2.9
115.05432	7.4
116.06284	3.5
117.07018	25.6
119.08591	86.4
121.06502	16.0
121.10157	69.2
123.08062	25.8
123.11699	7.1
125.05985	3.0
125.09606	13.2
128.06207	15.0
129.07016	23.5
130.07767	10.0
130.08652	2.7
131.04944	17.8
131.08571	53.3
132.09290	3.3
133.06451	8.7
133.08611	33.5
133.10143	53.3
135.08095	22.5
135.11716	17.2
136.08899	3.0
137.09618	10.7
139.11189	7.3
141.07047	16.6
141.07950	3.0
142.07784	35.5
143.08568	65.1
143.10680	4.4
144.09309	11.7
145.06464	5.7
145.10127	70.2
146.10884	2.8
147.08083	13.5
147.11707	25.6
149.09653	17.9
149.13255	7.7
151.07541	6.8
151.11220	4.1
153.07011	7.4
154.07748	6.4
155.08600	23.3
155.10619	15.5
156.09372	28.6
157.10141	82.5
158.10927	12.5
159.08099	28.6
159.11697	49.7
160.08861	4.6
161.09631	21.4
161.13271	11.0
163.11214	11.2
163.14651	3.0
165.07007	6.7
165.09100	10.4
166.07753	3.7
167.08517	11.8
167.10699	18.2
168.09314	12.8
169.10165	32.7
169.19595	3.2
170.10878	12.0
171.07988	3.4
171.11684	53.5
172.12389	5.5
173.09602	12.8
173.13287	25.6
175.11177	16.7
175.14856	8.2
177.11276	14.4
177.12630	5.2
178.07841	3.5
179.08597	12.7
180.09320	11.0
181.10117	23.9
181.12157	5.5
182.10899	15.4
183.08075	2.9
183.11697	37.3
184.12444	5.8
185.09589	7.9
185.13252	32.5
186.14026	3.8
187.11171	11.5
187.14821	13.2
189.12759	7.0
190.13597	3.5
191.08595	5.0
191.14351	6.4
192.09370	6.1
193.10126	19.0
193.12167	5.5
194.10883	12.6
195.11699	29.7
196.12566	12.3
197.09535	3.2
197.13243	31.8
198.10359	3.3
198.13945	7.8
199.11177	9.5
199.14870	19.2
201.12709	10.2
201.16371	5.4
203.14342	15.8
205.12151	4.2
206.10927	10.8
207.11674	21.7
207.13641	4.1
208.12447	11.0
209.13313	31.2
210.14034	4.8
211.11218	9.6
211.14839	25.9
213.12755	10.5
213.16368	11.4
214.13496	3.2
215.14377	13.9
215.17931	3.1
217.10043	7.1
217.15898	4.3
218.16608	4.8
219.11638	7.4
220.12440	7.2
221.13264	20.2
221.15378	27.2
222.13853	6.1
223.14847	19.6
224.11966	3.5
224.15591	3.7
225.12817	5.8
225.16310	8.1
226.13557	3.9
227.14308	7.4
229.15898	4.5
231.11707	5.7
232.12405	4.9
233.13197	10.6
233.15352	28.5
234.14011	4.5
234.16144	8.2
235.14871	13.5
236.15514	6.3
237.12749	2.9
237.16393	12.3
239.14346	8.0
239.17920	6.3
241.15765	5.3
243.11571	3.1
245.13335	7.2
245.15619	3.3
246.13951	4.1
247.14819	7.7
247.17093	5.4
247.24245	3.8
248.15396	4.5
249.16351	9.9
251.17979	6.8
253.15796	5.8
255.17430	44.8
257.18906	3.5
257.24896	3.9
258.13870	2.9
259.14801	6.9
261.16324	8.1
262.17227	2.9
263.14365	3.8
263.18054	12.9
265.15915	4.7
265.19525	5.4
265.25250	11.9
267.17542	4.8
267.20792	2.5
268.18286	3.0
269.18982	10.0
270.19812	8.3
271.14731	3.9
271.17328	3.7
273.18552	7.7
274.19235	3.1
275.17795	4.4
279.17441	6.3
279.20663	3.2
281.19073	10.8
283.17380	3.3
283.20663	3.7
283.26273	2.9
285.18683	5.9
286.19363	3.8
289.19354	4.1
293.19098	3.8
295.20465	7.3
299.20093	8.1
301.27463	3.6
307.20587	4.6
312.20712	3.4
313.21799	3.2
329.22141	3.7
339.29099	13.4
345.22067	3.3
347.23511	8.1
365.24609	8.9
371.23529	3.8
375.23178	9.5
383.25793	9.3
391.26385	3.0
415.25415	11.1
567.37946	4.3
582.40491	5.3
583.43781	3.5
585.39270	3.6
600.41748	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	600.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.5
55.01884	3.6
55.05519	43.8
57.03425	5.8
57.07056	11.2
59.04979	4.6
65.03947	4.5
67.05512	59.0
69.03144	3.4
69.03444	30.1
69.07087	20.4
69.21326	36.8
71.04993	10.0
71.08623	5.0
77.03899	4.6
79.05504	45.6
81.03429	25.8
81.07060	66.0
83.04993	19.8
83.08628	69.2
85.02897	12.2
85.06534	5.7
87.04472	7.1
89.06046	19.9
91.05489	57.9
93.07055	76.3
95.04972	22.6
95.08616	56.1
96.08963	3.7
97.02884	12.4
97.06512	13.3
97.10182	18.5
99.04462	6.9
99.08056	5.9
103.05487	7.1
105.07034	78.2
107.04928	6.6
107.08600	54.0
109.06519	13.0
109.10163	39.8
111.04434	5.4
111.08068	6.1
115.05428	7.3
117.07032	26.0
119.08591	72.8
121.06507	11.2
121.10160	57.7
123.08104	21.6
123.11697	7.8
125.09634	14.1
127.03925	5.2
128.06241	13.4
129.06995	23.6
130.07780	5.4
131.04892	9.3
131.08589	45.0
133.06509	6.1
133.08614	14.0
133.10149	40.7
135.08058	16.3
135.11697	19.7
137.09616	8.0
139.11243	6.1
141.06960	14.3
142.07785	15.3
143.08603	39.3
143.10686	100.0
144.09314	10.0
145.06480	4.7
145.10147	56.4
147.08060	13.0
147.11717	25.7
149.09627	15.3
149.13289	9.1
151.07553	5.0
153.06932	4.5
155.08598	20.9
155.10667	8.8
156.09383	17.7
157.10152	54.8
159.08063	16.0
159.11707	42.1
160.08798	6.2
161.09586	14.4
161.11757	12.5
161.13246	10.4
163.11192	8.2
163.14806	4.5
165.07054	6.8
165.09076	5.3
166.07741	4.0
167.08591	11.2
167.10693	11.3
168.09409	5.3
169.10161	29.0
170.10931	7.2
171.08061	5.3
171.11746	30.9
173.09607	15.5
173.13263	22.3
175.11189	16.8
175.14873	5.6
177.11246	5.7
179.08600	8.0
180.09203	4.3
181.10184	18.0
182.10857	6.8
183.11763	22.1
184.12436	4.6
185.09598	4.6
185.13292	23.0
187.11215	8.6
187.14772	12.7
189.12781	5.5
193.10197	11.9
193.12068	3.7
194.10886	5.7
195.11699	27.5
196.12375	6.5
197.13303	25.7
199.11205	8.4
199.14818	15.1
201.12730	6.2
203.14378	13.0
206.10892	4.5
207.11678	11.4
207.13770	8.5
208.12495	5.0
209.13312	21.7
211.11273	4.9
211.14757	17.8
213.12735	8.6
213.16435	6.4
215.14258	7.5
217.10222	6.3
218.16672	4.1
220.12524	4.1
221.13252	10.1
221.15381	16.8
223.14825	15.6
225.12848	5.1
225.16393	5.6
227.14343	5.4
229.15831	5.2
233.15385	16.7
234.16121	6.2
235.14781	12.2
237.16542	7.7
239.14282	4.5
239.17982	4.6
245.15581	4.3
247.14841	7.5
249.16467	6.6
251.18045	6.4
253.15987	5.5
255.17467	26.5
261.22235	5.0
263.17990	4.6
265.19501	4.8
269.19260	7.1
270.19739	7.6
273.18591	8.3
287.20187	6.6
295.20367	4.5
299.20169	7.5
301.21713	6.2
303.23315	7.3
315.23343	4.7
323.23358	4.5
341.24881	7.0
345.24423	5.4
351.23175	10.4
369.24237	21.8
387.25348	23.5
405.26147	18.0
415.25543	7.9
423.27383	5.9
600.41516	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41539	4.0
55.01864	4.3
55.05514	21.3
55.98895	3.5
57.07072	8.8
65.03954	6.6
67.05506	33.2
69.03435	18.4
69.07066	16.4
69.78597	19.5
71.04989	4.2
79.05510	32.5
79.81198	3.9
81.07063	37.0
83.04984	14.2
83.08622	19.2
85.06541	12.5
87.04466	6.1
89.06036	4.2
91.05484	52.5
93.07053	66.6
95.04984	21.2
95.08620	47.7
97.06559	22.8
98.21404	5.9
103.05460	6.0
105.04502	4.1
105.07037	100.0
107.08606	69.0
109.06525	17.1
109.10148	31.8
109.23557	4.8
111.08088	8.9
113.09645	11.4
115.05443	8.2
117.07015	24.4
119.04934	5.7
119.08585	75.4
121.06500	10.8
121.10151	59.0
123.08080	41.8
123.11691	8.4
125.09624	18.9
128.06235	17.0
129.07013	28.5
130.07767	8.9
131.08568	50.6
132.09372	5.3
133.06474	7.6
133.10143	53.3
135.08043	22.5
135.11674	13.4
137.09602	19.9
139.11172	8.5
139.20219	4.0
141.07005	11.7
142.07805	30.6
143.08560	51.1
144.09315	15.2
145.06483	11.7
145.10149	87.4
146.07289	4.9
147.08078	23.9
147.11681	24.8
149.09599	16.2
149.13277	5.3
151.07535	10.9
155.08578	26.1
155.10590	17.8
156.09352	23.6
157.10136	77.7
158.10826	14.1
159.08072	28.6
159.11684	47.5
160.08867	25.8
161.09636	21.6
161.13283	10.9
163.11211	11.6
165.07051	8.4
165.09097	18.9
166.07780	3.8
167.08569	14.8
167.10632	19.3
168.09364	8.7
169.10147	42.7
170.10870	14.3
171.11725	51.7
172.12386	11.4
173.09598	13.7
173.13249	24.9
175.11182	22.3
175.14796	7.0
177.12820	5.6
179.08525	15.2
179.10687	4.3
179.14330	5.5
180.09360	9.5
181.10170	24.5
181.12242	16.6
182.10915	13.3
183.11713	41.1
184.12489	10.8
185.09669	8.7
185.13242	27.0
186.14032	4.9
187.11214	11.0
187.14822	11.3
189.12715	8.8
190.13545	5.9
191.14323	8.6
192.09315	6.4
193.10103	18.6
193.12137	5.3
194.10924	8.5
195.11732	39.7
196.12482	8.0
197.09679	4.7
197.13303	47.3
198.10172	3.9
199.11182	7.5
199.14816	18.8
201.12881	6.1
203.14336	14.1
205.10172	6.7
206.10927	8.6
207.11681	19.3
207.13585	6.1
208.12500	11.2
209.13261	27.2
209.15021	5.4
210.14009	8.3
211.11258	5.5
211.14841	25.6
213.12813	13.9
213.16411	9.9
215.14349	15.0
218.16727	5.6
219.11732	7.0
219.13681	6.3
220.12463	7.2
221.13245	15.8
221.15398	52.0
222.13841	4.7
222.15756	11.5
223.11237	6.3
223.14844	25.3
225.12733	14.2
225.16411	12.8
227.14320	9.7
229.10135	4.3
229.15927	7.2
231.11694	5.2
233.13228	11.0
233.15399	21.5
234.16145	9.2
235.14810	14.1
235.16934	4.5
237.12802	5.1
237.16362	14.9
239.14453	4.4
246.14034	5.6
247.14763	12.4
247.17072	8.6
249.16388	7.9
251.14090	4.2
251.17970	6.4
253.15770	5.9
255.17471	49.6
257.19199	4.2
257.65073	3.8
259.14828	7.6
261.16379	7.2
263.17905	6.7
265.15842	4.9
268.18350	4.0
269.19019	11.8
270.19760	10.2
271.14719	6.3
273.18671	8.6
275.17798	6.7
277.19431	5.2
279.17395	4.9
281.18973	8.0
282.19833	7.0
285.18530	7.6
286.19397	12.4
287.20139	8.0
289.19522	6.5
295.20651	5.3
299.20120	11.0
311.20020	4.4
320.95364	4.4
347.23758	5.7
352.23999	10.9
365.24713	11.9
383.25940	10.5
390.83694	4.0
520.35547	6.0
554.09937	4.2
567.37823	5.0
585.38782	4.5
600.41565	41.0
604.88849	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.5
55.05505	14.6
57.07068	14.0
59.05011	4.7
65.03947	5.8
67.05514	25.6
69.03430	15.5
69.07069	15.4
69.60853	20.8
71.05006	5.4
78.24826	3.1
79.05490	31.8
80.06274	3.3
81.03400	3.4
81.07066	38.2
83.04984	20.4
83.08627	13.9
85.06530	9.3
91.05478	65.0
93.07053	69.1
93.80366	3.2
95.04967	22.4
95.08618	33.5
97.06544	10.8
103.05508	4.4
105.07037	100.0
107.04993	5.4
107.08598	60.7
109.06523	20.4
109.10159	25.7
111.08087	8.1
115.05508	7.6
117.07012	25.8
119.08585	84.7
120.09341	6.6
121.06471	16.7
121.10147	58.3
123.08096	31.9
125.05958	3.4
125.09641	10.4
128.06212	16.3
129.07019	24.4
130.07797	8.5
131.08574	49.4
132.09435	5.7
133.06487	6.7
133.10130	42.9
135.08055	23.8
135.11679	10.5
137.05992	4.9
137.09639	15.3
141.07002	9.8
142.07793	27.1
143.08562	60.6
144.09352	13.5
145.06493	5.7
145.10130	73.0
146.10907	3.5
147.08047	29.1
147.11710	14.8
149.09625	19.0
151.07491	18.8
151.11333	3.7
153.07024	4.2
153.09067	3.7
155.08537	23.4
155.10539	6.7
156.09369	20.8
157.10138	82.3
158.10886	11.2
159.08057	21.1
159.11703	46.3
160.08781	4.3
160.47711	3.5
161.09615	22.5
161.13258	6.3
163.11198	18.0
165.07021	7.3
165.09152	35.0
166.07838	5.8
167.08562	15.6
167.10709	10.8
168.09338	5.0
169.10141	32.1
170.10924	14.9
171.08182	4.5
171.11676	49.0
172.12465	6.7
173.09633	14.2
173.13283	23.0
175.11208	27.3
177.12794	5.2
179.08548	16.7
179.10718	6.0
180.09305	6.4
181.10075	20.0
181.12206	10.5
182.10931	9.4
183.11742	30.7
184.12425	5.5
185.09669	10.3
185.13217	23.9
186.14044	7.0
187.11243	7.7
187.14886	7.4
189.12782	13.5
190.13547	13.1
191.14433	5.2
192.09343	7.1
193.10178	14.8
193.12289	13.4
194.10957	12.6
195.11696	24.0
196.12482	9.6
197.09499	3.8
197.13284	24.4
198.10500	4.3
198.14130	4.4
199.11208	9.6
199.14828	11.0
201.12753	9.5
203.14336	26.3
205.10280	6.9
205.12085	3.8
206.10855	8.1
207.11729	20.9
207.13858	16.0
208.12524	11.5
208.14513	8.9
209.13316	22.2
209.15126	4.1
210.10393	3.8
210.13998	7.2
211.11224	9.5
211.14836	21.2
212.12041	3.7
213.12767	13.3
213.16203	5.1
215.14342	6.7
217.10080	4.5
219.11700	8.8
219.13702	6.1
220.12476	5.9
221.13271	19.2
221.15405	72.9
223.14835	15.5
225.12752	9.9
225.16441	11.4
227.14378	8.2
229.15820	6.4
231.11797	5.9
233.13228	13.1
233.15417	24.8
234.16080	9.1
235.14850	9.7
237.12683	6.2
237.14900	22.4
239.14288	9.6
241.15945	6.9
246.16261	4.7
247.15012	6.8
247.17047	7.6
248.14148	10.5
249.16400	6.5
251.18077	8.4
253.15811	6.7
255.17487	29.5
259.14636	6.0
261.16394	11.3
263.17993	6.2
265.19431	3.8
267.17529	4.5
269.18939	7.5
270.19833	8.9
271.17065	6.7
273.16113	4.8
273.18640	8.7
274.19403	8.8
276.18411	3.6
277.19174	4.5
279.17374	4.5
281.18979	14.4
285.18637	5.5
286.19290	14.9
287.20151	8.5
294.19907	10.0
295.20602	7.4
297.18567	8.0
298.06030	3.6
299.20090	12.2
303.19507	42.1
312.20789	5.3
313.21692	12.3
325.21652	14.9
337.21808	8.1
352.23990	79.0
353.24609	4.2
365.24631	16.6
377.24756	5.1
383.25827	13.4
420.30188	4.1
502.34109	8.0
503.35144	5.0
507.34583	9.5
520.35651	35.5
567.38062	5.0
582.40448	4.5
600.41748	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	9.3
57.07066	10.8
59.04996	6.1
67.05505	15.9
69.03445	12.8
69.07069	6.9
72.64698	2.1
74.79197	2.2
79.05497	18.2
81.07070	23.0
83.04974	6.4
85.06548	4.3
89.06027	5.0
91.05500	30.3
93.07047	38.6
94.80498	2.4
95.04965	8.5
95.08618	23.4
97.06540	6.0
101.93301	2.5
105.07034	45.5
107.08603	26.2
109.06531	13.8
109.10162	7.0
116.06191	2.9
117.07027	15.8
119.08596	53.7
120.08883	3.1
121.06501	7.4
121.10153	18.5
123.08092	16.8
125.05988	11.8
128.06236	4.4
129.07021	12.9
130.07832	3.8
131.08583	23.7
133.06465	5.6
133.10150	23.9
135.08035	18.1
135.11714	6.2
137.09663	12.9
141.07016	3.2
142.07835	12.8
143.08578	20.6
144.09291	7.6
145.06454	3.6
145.10146	39.7
147.08046	24.2
147.11684	6.4
149.09615	10.5
151.07530	9.6
155.08569	12.3
156.09325	11.6
157.10158	34.9
158.10854	7.4
159.08084	7.6
159.11697	23.0
160.08826	2.9
161.09619	8.2
161.13251	8.0
163.07436	2.3
163.11153	16.7
165.06990	4.7
165.09126	50.4
165.12766	2.3
166.09494	5.2
167.08553	4.8
169.10127	16.3
170.10847	3.3
171.11681	18.8
172.12445	3.4
173.09634	6.8
173.13280	8.3
175.11224	18.4
177.12639	3.4
179.08636	5.1
179.10661	3.9
180.09290	2.6
180.11604	4.7
181.10071	4.0
181.12230	21.2
182.10884	4.6
183.11729	13.1
184.12352	3.1
185.06271	2.7
185.09673	2.7
185.13274	10.8
187.11194	6.7
187.14862	4.9
189.12712	9.3
190.13512	8.7
191.10693	8.6
191.14211	2.8
193.10361	5.8
193.12270	16.7
195.11763	7.1
195.13655	2.7
196.12437	3.8
197.13240	14.9
199.11200	7.0
199.14871	4.1
201.12733	6.3
203.14380	19.9
207.11829	5.1
207.13838	12.0
208.12601	4.3
208.14583	11.3
209.13235	8.3
210.10019	2.7
211.11186	3.6
211.14807	6.3
213.16144	2.8
219.13814	7.5
221.13271	5.4
221.15364	100.0
222.15765	12.5
223.14812	4.9
225.12703	3.1
225.16362	4.3
227.14296	4.9
227.68431	2.9
229.15810	3.6
233.15530	3.2
234.16205	19.7
235.14749	3.4
237.12698	4.4
237.16417	4.3
239.14360	3.2
241.15930	3.0
247.16977	27.3
248.17691	3.7
249.16328	3.4
253.15875	3.3
257.15457	2.6
259.17148	3.3
261.18698	3.5
263.17853	2.5
271.16824	3.6
274.19318	13.4
279.17157	2.7
281.18912	4.3
286.19321	4.4
287.20038	8.6
288.20410	3.5
289.19543	2.9
299.20053	16.9
311.20093	4.3
312.20877	5.9
313.21567	8.6
319.20441	2.7
325.21591	16.1
337.21716	5.2
339.23230	10.0
340.23987	13.3
352.24002	35.7
365.24695	4.6
387.25287	7.2
392.26907	2.7
413.26584	6.5
419.29437	9.1
420.30161	3.9
425.26801	5.8
426.27933	3.0
427.28531	15.9
440.29245	46.3
442.30914	3.7
507.34772	4.6
508.35269	10.1
520.35583	52.2
585.39355	3.4
600.41638	55.8
600.55945	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
55.05505	5.5
57.07079	11.7
59.04990	2.7
65.51609	1.4
67.05504	10.9
69.03419	7.4
69.07054	5.0
69.69752	11.0
73.28543	1.6
79.05495	10.9
79.43706	1.4
81.03410	2.1
81.07056	16.2
83.04986	3.7
85.06531	5.7
89.06032	2.2
91.05479	22.5
92.06269	2.9
93.07043	29.5
95.04961	8.7
95.08138	1.8
95.08612	19.7
97.06527	4.3
98.21496	2.6
103.05470	2.3
105.07033	42.1
106.07867	2.0
107.08583	19.9
109.06516	9.6
109.10155	4.7
111.08096	4.6
115.05480	2.8
117.07027	11.8
118.81654	1.8
119.08586	52.0
120.09406	3.7
121.06492	6.9
121.09433	1.9
121.10162	19.6
122.07291	2.7
123.08085	16.5
123.11647	2.8
125.05988	9.8
128.06239	4.0
129.06987	7.1
130.07819	3.1
131.08577	18.0
132.09364	3.7
133.06493	4.7
133.10115	22.1
135.08063	17.6
135.11676	7.9
136.08745	1.9
137.05980	3.2
137.09630	12.8
138.10042	1.8
139.07500	3.2
141.07001	3.9
142.07761	7.4
143.08574	18.2
144.09308	3.2
145.06488	3.0
145.10124	35.6
147.08054	26.1
147.11674	4.4
149.09648	10.9
151.07512	10.4
151.11174	2.9
155.08606	8.3
156.09348	7.1
157.10126	36.1
158.10835	4.7
159.08078	6.2
159.11705	18.2
160.12204	2.0
161.09615	12.2
161.13226	6.2
163.11194	18.5
165.09122	48.7
166.09444	3.3
167.08589	5.3
168.09312	3.5
169.10101	14.3
170.10878	6.5
171.08072	3.5
171.11676	18.5
172.12437	2.8
173.09619	7.7
173.13260	5.8
175.11176	22.1
175.14809	2.2
177.09094	6.1
177.12788	3.2
178.09848	3.4
179.08569	2.4
180.09380	2.4
180.11469	2.9
181.10170	5.4
181.12222	17.3
182.10896	3.5
183.11723	14.3
184.12465	2.3
185.09637	2.8
185.13194	9.8
186.10445	3.2
186.13896	2.9
187.11143	5.3
187.14920	2.3
189.12752	8.8
190.13527	8.9
191.10664	6.1
193.10289	3.3
193.12244	13.6
194.10797	2.7
195.11722	9.5
195.13589	3.2
196.12430	5.5
197.09650	2.9
197.13211	7.8
199.11197	5.0
199.14812	2.7
201.12827	8.1
203.14336	19.9
204.14552	2.4
206.10902	2.5
207.11670	5.1
207.13806	11.4
208.12463	3.1
208.14590	10.2
209.13260	5.6
209.15196	2.3
210.13936	2.6
211.11284	3.8
211.14835	7.4
212.11993	1.8
212.15526	2.5
213.12727	3.5
215.14156	3.2
218.10892	1.7
219.11894	1.9
219.13808	6.5
220.14644	2.0
221.13391	4.5
221.15370	100.0
222.15715	8.2
223.11223	2.5
223.14784	3.1
224.12102	1.8
225.12773	3.9
225.16411	5.3
227.14212	3.8
229.12199	2.4
229.15794	2.1
231.13560	1.9
233.13237	3.3
233.15358	4.1
234.16138	16.8
235.14670	3.1
237.12714	2.3
237.16362	1.7
239.18028	2.3
240.18855	1.7
241.12309	2.0
241.15794	5.0
243.13721	2.0
247.16954	28.7
248.17668	3.4
249.16295	2.0
251.14058	1.9
253.15941	2.1
255.17554	1.8
259.16937	5.4
261.16278	2.2
267.17554	2.9
269.18796	2.2
271.16995	3.4
274.19272	12.0
279.17654	2.9
281.18954	3.2
286.19217	2.2
287.20102	8.7
297.18451	4.2
297.21716	1.6
299.20105	17.4
300.20853	3.4
307.20624	2.7
310.19110	2.2
311.19980	6.5
312.20746	7.1
313.21582	7.5
323.19696	1.7
325.21591	20.6
327.23035	2.6
337.21573	3.7
339.23111	6.7
339.40524	1.8
340.24005	17.9
352.24005	27.5
365.24707	6.5
366.25452	3.9
379.26315	6.1
387.25171	4.2
391.26279	5.1
392.26886	4.5
405.27747	2.0
413.26819	6.6
419.29520	8.3
420.30112	6.2
425.26978	10.1
426.27515	4.3
427.28674	16.3
428.29050	2.7
440.29218	49.6
442.30438	4.0
454.30615	3.2
498.12088	1.8
505.33096	2.3
507.34583	2.1
508.34958	6.3
520.35553	42.8
585.39050	3.9
600.41541	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	3.3
51.25368	2.6
55.01861	6.0
55.05500	14.7
57.07077	15.6
59.04995	6.1
65.03922	4.7
67.05501	27.0
69.03419	14.0
69.07056	13.9
69.47013	2.9
69.62872	13.9
69.63281	7.4
71.04977	3.4
71.08619	3.0
71.92087	3.0
79.05492	22.3
81.07069	28.6
83.04975	8.0
83.08626	16.1
85.06544	4.8
87.04466	3.7
89.06030	12.4
91.05481	33.5
93.07053	46.0
95.04975	12.2
95.08604	32.8
97.06521	21.0
103.05542	3.2
105.06386	6.0
105.07037	56.1
107.08588	41.4
108.09334	3.0
109.06531	13.4
109.10162	25.0
111.08086	4.6
113.09652	10.8
115.05463	4.4
117.07028	21.7
119.08580	58.9
120.09348	3.3
121.06510	9.5
121.10161	32.1
123.08077	20.1
123.97670	3.6
125.09650	7.5
128.06212	5.9
129.07013	15.9
130.07765	5.5
131.08595	30.5
132.09377	4.5
133.06442	4.4
133.08588	7.9
133.10123	29.9
135.08063	15.1
135.11687	10.8
137.09624	12.9
139.11172	14.6
141.06989	7.5
142.07779	18.1
143.08577	32.7
144.09305	9.0
145.06500	20.5
145.10126	52.3
146.07301	3.2
147.08055	27.6
147.11665	9.7
149.09662	11.8
151.07535	7.6
151.11206	3.9
153.07150	3.8
155.08548	14.0
155.10606	6.9
156.09377	12.0
157.10129	45.8
158.10881	8.8
159.08054	19.9
159.11707	34.2
160.08842	89.6
161.09613	9.5
161.13255	7.6
163.11151	15.6
165.09129	41.1
166.09531	3.5
167.08536	7.9
168.09337	4.2
169.10112	19.4
170.10860	6.0
171.08060	4.1
171.11703	26.7
172.12288	5.6
173.09677	7.8
173.13245	9.1
175.11183	15.9
177.11137	5.0
179.08635	7.7
181.10219	8.6
181.12224	26.3
182.10893	6.5
183.11682	19.2
184.12427	3.3
185.09604	5.7
185.13269	17.8
186.10379	4.6
187.11215	8.0
187.14740	4.3
189.12721	8.6
190.13557	6.2
191.10663	4.6
193.10168	9.4
193.12289	10.0
194.10939	4.8
195.11673	13.2
196.12416	8.9
197.13271	14.6
199.11174	8.7
199.14819	4.9
201.12732	4.8
203.14314	17.8
207.11809	6.8
207.13786	11.1
208.12570	5.1
208.14566	12.2
209.13231	16.5
211.11168	3.9
211.14822	10.2
213.12729	6.9
215.14265	3.1
219.13791	4.9
221.13412	6.9
221.15364	100.0
222.15697	9.1
223.14828	15.4
225.12744	3.8
225.16415	7.0
229.16039	4.0
233.15388	7.9
234.16112	23.6
235.14865	5.5
237.12796	3.9
237.16411	7.3
246.16183	4.9
247.17006	17.7
249.16481	5.4
251.14217	3.3
251.17715	4.6
253.15903	5.1
255.17378	3.8
259.17010	5.4
271.17041	8.4
273.18768	3.5
274.19293	7.7
281.19000	3.2
283.26239	7.1
285.18436	6.1
286.19299	35.7
287.20102	12.5
297.18353	7.3
299.19958	23.6
300.20715	12.1
311.20129	4.9
312.20764	11.9
325.21506	15.7
337.21701	8.8
339.23163	4.8
340.23892	5.3
352.23969	41.5
353.24655	4.0
365.24677	16.1
374.24600	5.3
379.26590	4.0
392.26749	5.4
400.25861	6.1
415.25732	4.8
419.29642	7.9
425.27087	4.7
426.27655	6.0
427.28156	7.3
440.29355	46.9
454.30807	4.7
466.47034	3.6
507.35056	4.6
520.35492	49.8
582.41003	3.7
600.41418	45.0
600.55334	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	16.5
57.07063	9.6
59.05015	5.2
65.45477	3.1
67.05513	22.6
67.95848	3.8
69.03432	15.0
69.07051	8.6
70.13349	14.8
70.96293	3.0
71.05014	4.9
75.98682	3.3
79.05501	20.9
81.03416	4.7
81.07065	32.3
83.04970	14.0
83.08644	5.1
85.06535	7.6
89.06017	11.0
91.05491	44.4
92.25847	3.5
93.07063	46.8
95.04958	14.6
95.08611	30.4
97.06543	10.6
103.05478	4.1
105.07041	68.6
106.07290	3.6
107.08597	38.3
109.06531	17.6
109.10151	19.4
117.07035	20.6
119.08596	85.7
120.09438	3.7
121.06455	8.2
121.10145	32.6
123.08097	29.4
123.11720	3.8
124.92074	3.2
125.06016	6.3
125.09595	6.3
128.06209	11.5
129.07001	15.9
131.08585	37.7
133.06480	4.9
133.08607	6.1
133.10147	43.1
135.08047	19.6
135.11694	8.7
137.05968	4.7
137.09621	14.2
139.11209	4.4
141.07013	10.3
142.07794	15.3
143.08583	34.3
144.09322	10.2
145.06493	3.8
145.10141	57.0
146.10493	4.6
147.08043	26.6
147.11687	13.2
149.09637	16.2
151.07570	11.2
154.07677	3.9
155.08565	15.0
155.10695	7.5
156.09300	13.6
157.10141	63.6
158.10851	12.7
159.08072	7.0
159.11707	40.4
160.08722	3.9
160.12239	4.0
161.09633	13.7
161.13229	8.3
163.11212	17.3
165.07004	5.0
165.09137	50.4
167.08586	11.6
168.09425	4.6
169.10158	23.0
170.10855	10.2
171.11722	33.9
172.12437	11.0
173.09671	10.0
173.13266	15.4
175.11180	25.4
177.12689	5.6
179.08643	6.4
180.11475	4.2
181.10101	8.6
181.12254	18.9
182.10867	10.2
183.11670	22.8
184.12331	7.0
185.09698	4.2
185.13202	18.0
187.11166	11.6
187.14873	6.0
189.12793	11.2
190.13576	6.9
191.10706	4.3
191.14313	4.0
192.09276	5.1
193.10118	9.9
193.12259	15.2
194.10867	4.6
195.11650	18.6
195.13629	6.2
196.12465	9.6
197.13179	19.6
199.11165	9.8
199.14847	8.5
201.12804	5.4
203.14330	21.9
206.10944	4.4
207.11685	8.8
207.13786	15.7
208.12482	5.5
208.14583	8.3
209.13251	16.6
210.14070	5.1
211.11238	6.7
211.14873	8.1
213.12785	9.8
215.14272	4.3
216.14995	3.8
219.13789	6.3
221.13403	8.0
221.15370	84.4
222.15826	7.9
223.14813	11.4
224.15385	4.0
225.12813	8.6
225.16376	7.8
233.13351	8.2
234.14072	4.2
234.16083	19.7
235.14877	8.5
237.12721	9.0
237.16432	4.1
239.17938	4.8
241.15785	4.1
247.14708	5.5
247.16940	17.3
249.16368	5.2
259.16980	5.4
269.18921	4.1
274.19299	11.2
286.19354	6.5
287.19977	10.7
299.20053	17.5
311.19995	4.2
312.20813	6.9
313.21570	7.7
323.19824	4.2
325.21716	12.0
326.22202	5.5
334.21771	5.3
337.21655	5.3
352.19943	6.3
352.23999	79.0
365.24829	21.4
419.29373	4.6
420.29926	5.2
427.28247	3.8
440.29214	12.0
454.30228	4.2
507.34882	16.7
508.35138	18.1
520.35535	100.0
585.40131	4.2
600.41425	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2875
Annotation	Obyanamide
Peak:m/z	Relative Intensity
51.99731	0.2
53.03938	0.3
55.01864	0.3
55.05509	0.5
57.03437	0.7
61.02927	2.9
67.05496	0.8
69.03447	1.2
69.53834	1.7
71.04974	0.4
73.02913	1.0
79.05497	0.8
81.03419	7.0
81.07056	1.0
83.05005	0.4
83.08620	2.3
85.02901	2.4
91.03969	1.3
91.05489	1.8
93.07040	0.3
95.04963	2.2
95.08613	0.4
97.02899	2.0
98.21548	0.5
101.02347	0.4
103.05478	0.8
105.07028	0.9
107.04945	0.6
109.02899	0.3
109.06523	0.2
111.08086	1.0
117.07084	0.2
119.03555	0.8
119.08588	1.3
121.06473	0.4
121.10142	0.6
127.03944	0.4
128.23418	0.2
129.07021	1.3
131.04938	2.1
131.08543	1.4
133.06458	0.3
133.10123	0.4
135.04439	0.3
136.06192	100.0
137.04594	0.5
143.08574	0.3
144.05685	0.3
146.03767	0.2
147.04405	0.5
147.11697	0.5
149.09685	0.4
157.06531	0.5
157.10170	0.7
159.08081	1.4
161.05890	0.4
161.09668	0.4
163.03877	0.3
163.07556	2.4
167.07022	0.8
175.07509	0.3
175.11183	1.4
177.05423	0.4
179.07069	0.3
187.07573	1.1
188.59579	0.2
189.09128	0.9
193.12256	6.2
195.06532	0.3
203.06967	0.4
204.07867	0.5
205.08636	0.3
211.13361	0.5
219.10172	0.4
221.11768	0.3
223.06012	2.8
231.10130	0.6
249.11237	16.1
267.12589	0.4
267.15909	2.9
285.16998	4.6
293.82947	0.2
420.22424	3.2
438.23502	2.8
582.27667	8.2
600.28821	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	600.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13879	11.7
55.01870	14.2
55.05508	47.8
67.05494	19.9
68.05831	11.4
69.03445	15.6
69.52129	26.8
69.52538	64.8
79.05511	30.5
81.03460	17.2
81.07050	15.6
83.04981	88.9
91.05495	29.1
92.05830	14.1
93.07043	27.5
95.04984	25.3
95.08606	14.3
96.65743	12.6
103.05477	50.7
104.05756	19.3
105.07076	59.5
109.06517	17.3
109.10168	16.1
117.07013	32.6
119.08577	40.2
123.79091	10.7
129.06976	17.2
131.04919	100.0
131.08575	45.7
132.05264	22.5
133.06448	13.4
133.10138	27.3
135.08128	12.6
135.11676	17.7
143.08510	17.6
145.06493	12.8
145.10155	34.5
147.08089	58.9
156.09296	11.9
157.10139	32.2
157.45657	12.0
159.08070	32.3
159.11821	14.9
161.06003	32.5
161.09642	30.1
163.07536	29.7
169.10178	17.1
171.07922	10.5
171.11702	44.6
172.12109	14.4
173.09654	28.6
183.11737	26.3
185.09613	23.6
185.13341	26.4
189.09135	16.9
197.09650	22.1
199.11038	13.0
201.09140	17.9
204.25021	12.3
213.12744	36.2
215.10628	14.0
223.11052	14.0
227.10812	11.8
229.08582	20.6
231.13731	14.7
259.13278	15.1
312.20282	12.8
317.18753	11.9
327.17322	13.0
343.16898	11.7
361.17670	14.6
375.19556	20.4
387.19168	14.6
405.20395	42.4
423.21680	24.8
435.21634	15.4
452.18018	15.5
453.22614	35.6
483.23801	22.8
583.28723	19.9
600.22144	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	600.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60343	0.2
55.01868	0.3
59.11630	0.2
67.69881	0.2
69.03416	0.7
70.14500	0.3
70.36855	0.6
70.37225	0.5
79.05466	0.3
81.03409	0.4
85.02912	2.0
91.05487	1.3
91.49444	0.2
97.02885	1.2
97.06506	0.4
98.21399	0.3
99.04486	0.3
103.05469	0.4
105.07000	0.5
107.04955	5.6
108.05294	2.3
109.02876	0.4
109.10175	0.3
115.05463	0.9
117.07059	0.3
123.18566	0.2
127.03901	0.5
128.06232	1.0
129.07004	4.5
129.80580	0.2
131.04924	0.5
131.08574	4.9
132.05769	0.3
133.06464	0.9
133.10173	0.3
134.99533	0.3
136.06203	3.3
141.06993	1.3
142.07788	0.4
143.08575	1.1
144.05646	1.7
145.04926	0.4
145.06477	1.1
146.07260	0.7
147.04474	0.5
152.05823	0.3
153.06998	0.6
155.06050	0.4
156.05629	0.3
157.06494	2.1
158.07291	0.4
159.04417	0.5
159.08061	8.8
161.05981	0.7
161.09601	2.3
162.07608	0.5
167.04872	0.3
167.07069	2.0
169.06401	0.3
169.07649	1.2
170.07274	2.0
171.08064	1.7
172.05139	0.7
173.05977	1.3
174.06763	0.8
175.07614	0.4
180.08685	1.1
186.06816	0.3
187.07547	7.6
187.09177	0.6
189.09106	3.1
190.87108	0.3
191.07187	0.3
198.06784	0.4
199.07559	1.0
200.08470	0.3
203.07016	1.0
204.07854	4.3
205.05031	0.4
205.08611	0.6
216.07755	1.4
217.08630	0.6
218.09453	0.6
219.10132	2.1
221.08186	0.4
221.11781	1.7
223.06099	0.3
231.10187	2.9
234.08882	0.7
237.11168	0.8
249.11234	100.0
250.11575	0.6
267.12250	2.0
273.85968	0.3
290.06729	0.4
291.06546	0.3
298.96738	0.3
323.05777	0.3
343.41449	0.3
432.13724	0.4
442.20151	0.4
450.13004	0.4
498.14603	0.6
582.27301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
54.81630	2.0
55.01873	18.9
55.05505	7.6
57.07084	32.5
58.08608	2.1
62.13854	2.4
67.05487	9.1
68.93397	1.8
69.03423	5.9
69.07056	8.6
69.21907	7.5
69.22323	15.0
71.37608	2.5
79.05486	9.3
81.03427	13.1
81.07048	10.4
83.04983	8.1
85.06541	4.6
91.05483	37.7
93.07052	16.3
95.01347	2.2
95.04957	15.4
95.08617	8.0
97.06544	4.0
103.05462	12.1
105.03381	4.1
105.07037	32.3
107.04947	8.1
107.08595	10.7
109.06501	7.5
109.10169	3.9
111.08083	2.6
115.05466	13.8
115.80498	2.1
116.06194	3.4
117.07021	26.3
119.05003	2.8
119.08582	38.0
121.06505	7.4
121.10153	9.4
128.06279	13.0
129.07028	23.9
130.07779	2.5
131.04939	27.5
131.08569	26.9
133.06470	7.0
133.10132	25.8
134.10405	2.0
135.08044	7.2
137.09647	4.3
141.06963	9.1
142.07799	12.0
143.08577	29.3
145.06499	20.3
145.10161	22.2
146.07205	3.2
147.08058	100.0
147.11702	5.5
149.09599	7.4
155.06044	2.5
155.08537	15.5
156.09372	22.1
157.06508	4.3
157.10135	40.1
158.07265	3.5
159.08075	39.1
159.11720	9.2
161.05978	6.9
161.09634	53.2
163.07571	22.5
163.11282	3.9
165.07033	6.1
165.09160	3.7
166.07764	3.5
167.08540	5.6
167.10793	2.6
169.10135	20.8
170.10916	14.4
171.08069	17.8
171.11703	53.8
173.06017	6.8
173.09657	28.8
173.13197	6.3
175.07571	19.7
175.11186	7.1
177.09169	3.4
179.08653	5.1
179.10681	7.7
180.09361	5.1
181.10121	10.6
182.10872	3.3
183.08107	5.4
183.11717	28.7
184.08868	6.0
185.09679	20.7
185.13263	49.2
187.07579	5.9
187.11237	12.3
189.09105	6.4
189.12708	3.4
192.09280	3.1
193.10117	10.4
195.08073	5.4
195.11668	10.9
196.08875	3.2
197.09621	10.2
197.13242	9.6
198.10391	5.5
199.11218	35.8
200.11787	4.5
201.09056	6.9
201.12744	8.7
203.10698	4.9
205.10240	4.0
205.12280	5.2
206.10927	4.5
207.11703	7.6
209.09605	8.3
209.13261	5.6
211.11217	13.1
213.09245	4.0
213.12755	63.8
214.13219	4.6
215.10728	3.5
217.12256	6.9
218.10916	2.8
219.11743	5.1
219.13823	3.6
221.09706	5.4
221.13263	8.2
222.10397	3.0
223.11136	12.1
223.14774	3.7
224.11794	2.7
225.09122	3.7
225.12701	5.0
226.09943	2.8
227.10675	5.5
229.10168	3.5
229.12221	6.9
230.10791	4.1
231.09892	3.3
231.11740	6.3
231.13626	13.2
233.09636	4.4
233.13312	6.7
233.15410	4.8
235.11166	7.3
235.14886	2.8
236.11757	3.3
237.12737	10.2
239.10722	7.3
241.10139	2.8
241.12248	11.8
243.11819	4.3
243.13847	6.6
244.12442	4.7
245.11496	3.6
245.13402	2.7
245.15381	23.5
246.10188	3.0
247.11133	4.1
247.13239	4.7
248.11882	3.3
249.12732	8.4
251.14409	5.3
253.10104	2.6
255.13857	4.5
257.13272	3.7
259.10995	4.1
259.13223	27.3
261.12744	6.3
263.14267	6.1
269.13184	2.9
270.14047	3.3
271.11032	5.2
271.14810	2.1
272.11987	3.5
272.15384	2.1
273.14856	18.4
275.14169	5.7
283.11121	3.0
283.14819	4.7
284.12061	4.3
284.15347	3.9
285.12625	5.4
285.53726	2.7
286.13431	5.5
287.14197	5.2
288.14908	3.1
289.12210	3.0
291.15970	14.3
297.12738	7.6
298.13318	4.4
299.14343	4.3
299.17773	3.7
301.15884	9.3
303.13843	4.5
303.17395	4.1
311.14297	8.5
312.15045	8.2
313.15726	9.3
313.19089	3.2
314.16382	3.9
315.13934	3.3
315.17398	10.3
317.15375	3.7
317.18951	8.7
323.16492	6.6
326.16638	6.9
327.17331	18.2
328.18158	5.2
329.15305	7.4
329.18930	4.3
330.15857	3.2
331.16754	5.7
331.20432	4.9
341.19080	16.8
343.16895	5.0
345.18497	12.1
347.16336	2.7
354.16104	2.7
357.18454	7.0
359.16232	2.6
359.19855	11.0
363.19543	3.6
369.18423	9.1
373.21799	3.3
375.19409	6.2
377.21146	5.4
387.19662	25.8
389.20950	7.2
391.18439	3.2
391.22787	8.2
395.22092	2.9
401.21271	25.8
403.18759	3.6
405.20633	18.4
407.22198	2.6
419.22223	44.3
421.20020	2.8
423.21750	3.5
437.23178	27.9
439.20883	4.8
453.22525	2.8
461.23059	4.5
463.20685	7.1
465.22754	10.0
479.24512	11.2
483.23422	3.7
497.25180	11.9
567.27991	3.2
581.30530	7.4
584.52692	2.4
599.27808	10.9
599.30768	11.4
599.40350	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	599.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.01883	17.8
55.05513	3.4
67.05525	3.6
69.03427	9.1
69.77698	10.0
75.66411	2.2
76.05449	1.9
79.05500	10.4
81.03426	12.0
81.07066	3.3
83.04986	3.5
91.05491	36.8
93.07047	6.7
94.78912	1.8
95.04982	15.5
95.08676	1.9
103.05494	5.7
105.07048	17.2
107.04967	8.5
107.08624	8.1
109.06522	5.8
115.05460	13.5
116.06229	2.2
117.07048	23.6
119.04929	2.7
119.08598	41.2
121.06529	6.9
121.10133	2.8
128.06241	8.5
129.07018	26.1
130.07755	3.9
131.04883	2.6
131.08578	27.3
133.06477	5.1
133.10143	11.8
135.08055	9.4
141.06998	5.4
142.07808	9.7
143.08562	15.7
144.05687	3.0
144.09334	2.5
145.06508	19.7
145.10164	18.5
147.08064	100.0
149.09641	9.9
153.07024	2.9
154.07776	3.3
155.06071	2.7
155.08540	8.9
156.09369	8.2
157.06543	2.4
157.10159	32.4
158.07248	4.6
159.08078	70.0
159.11687	32.6
161.09645	24.2
163.06284	4.0
163.07564	53.3
165.07019	3.5
166.07808	2.7
168.09358	5.4
169.10159	18.5
170.10870	5.9
171.08063	5.6
171.11710	20.3
172.08853	3.0
173.05957	6.0
173.09624	31.6
173.13277	9.1
175.07568	18.2
175.11243	6.2
177.09122	2.7
179.08594	5.2
181.10175	4.9
183.08124	3.9
183.11725	30.1
185.09686	16.9
185.13268	14.4
187.07597	4.7
187.11191	15.7
189.09050	3.2
191.10753	3.4
192.09303	2.2
193.10143	3.5
195.11705	5.7
197.09599	15.0
197.13286	3.0
199.07442	2.9
199.11264	13.8
201.09085	10.0
201.12828	17.8
202.07697	2.2
203.10728	5.2
206.10995	3.2
207.11723	10.1
208.08896	2.5
209.09601	6.3
209.13219	2.4
211.11256	10.7
213.09180	2.6
213.12683	2.9
215.10736	7.1
217.10320	2.4
217.12244	6.2
219.11743	2.5
220.12489	3.6
221.13278	5.2
223.11209	6.2
225.12766	3.1
227.10709	6.2
229.12241	11.6
231.11862	3.0
231.13815	4.5
233.15417	10.6
235.11154	2.8
237.12752	7.5
239.10538	3.5
241.12450	2.9
243.13837	8.4
245.09581	3.0
245.11726	4.1
248.11815	3.4
251.14029	2.1
255.13811	2.7
259.13361	6.8
261.14978	8.2
263.14383	3.4
265.12109	2.4
273.12729	6.2
275.14377	3.6
277.12537	2.2
279.13876	2.8
283.11139	2.7
285.12643	3.8
287.14392	4.2
289.14291	3.3
291.13922	3.6
299.14252	5.5
300.15314	4.6
301.15610	3.3
313.15924	3.8
315.14194	2.4
315.17416	14.1
317.15344	4.2
317.18973	3.4
329.15646	2.2
329.19000	10.1
331.16989	5.3
333.18509	6.6
339.17343	3.8
343.16824	5.4
347.20047	3.9
357.18597	13.9
361.17987	3.6
373.18021	3.4
375.19592	13.3
385.18134	6.5
389.21140	14.2
391.22949	3.2
403.18823	10.7
407.21976	7.8
409.20093	5.5
417.20825	10.3
421.20206	4.1
435.21735	22.5
453.22598	7.9
481.22391	4.5
567.26086	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	599.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01881	18.7
67.05519	2.8
69.03404	4.7
69.32414	21.2
79.05504	3.8
81.03413	13.1
83.04964	3.8
85.25426	2.5
89.25346	2.6
91.05492	41.7
93.07037	9.3
95.04977	10.3
95.08624	6.1
98.21512	6.1
103.05474	4.0
105.07051	23.5
107.04965	9.0
107.08592	6.7
109.06516	5.5
115.05459	12.7
116.06218	4.4
117.07022	26.3
119.08596	37.9
121.06496	3.7
121.10165	3.6
128.06242	8.9
129.07008	23.5
130.07832	6.2
131.08575	28.1
133.10170	26.8
135.08093	3.7
141.06955	9.8
142.07817	8.0
143.08598	21.9
145.06491	29.2
145.10147	23.0
147.08061	100.0
149.09619	7.9
153.07022	4.0
155.08549	7.7
156.09341	13.9
157.06416	3.4
157.10139	33.2
158.07280	5.5
159.08070	45.4
159.11681	8.1
161.09654	58.2
163.07556	64.1
163.11217	6.5
165.07024	5.8
166.07838	5.3
167.08580	4.2
168.09396	5.7
169.10168	20.2
170.10934	12.7
171.08000	16.7
171.11702	62.0
172.08772	3.5
173.06055	4.1
173.09647	31.8
175.07564	37.7
175.11157	4.2
179.08624	4.9
181.10181	7.1
183.08087	3.4
183.11710	34.2
184.08873	3.5
185.05891	3.0
185.09665	21.5
185.13260	38.7
187.07590	5.6
187.11224	8.2
189.09117	9.5
191.10655	4.2
193.10158	5.0
195.11676	15.9
197.09586	13.5
197.13298	10.6
198.10370	5.1
199.11191	24.7
200.11838	3.3
201.09119	4.3
201.12747	5.2
203.10678	4.0
205.12245	4.6
206.10970	5.4
207.11713	9.1
209.09616	5.8
211.11214	10.3
213.12776	48.5
215.10704	6.3
217.10350	3.6
217.12230	6.4
219.11711	3.7
220.12451	4.1
221.09750	3.7
221.13391	5.9
223.11235	7.9
223.14824	3.5
225.09137	3.7
227.10500	3.4
229.12270	4.9
230.10762	3.0
231.13806	5.7
232.12468	3.3
233.13335	5.6
235.11099	4.4
235.14891	4.4
237.12782	6.1
239.10789	4.7
241.12297	11.6
243.11739	6.9
243.13901	6.7
244.12340	4.0
245.11539	3.4
245.13452	2.2
245.15402	38.5
246.10431	3.5
246.14203	3.1
247.11230	5.5
247.14857	5.1
249.12756	6.3
251.14240	4.2
255.13832	5.3
257.13318	5.1
258.14117	3.1
259.13226	6.4
261.12753	7.0
262.13306	3.3
268.12390	2.9
269.13202	4.5
270.13889	5.7
271.11148	3.8
272.11975	2.9
273.12479	4.0
273.14874	25.4
275.14328	5.7
280.12396	2.9
283.11292	3.2
283.14813	6.1
285.12711	9.4
286.13528	3.9
287.14227	10.0
289.15784	3.2
297.12656	12.3
298.13577	4.6
298.17108	3.9
299.14423	7.7
299.17908	4.4
300.14990	5.4
301.15863	8.0
311.14310	8.2
312.15082	8.9
313.15930	8.3
315.17307	13.1
317.19006	8.4
326.16663	7.5
327.13974	6.4
327.17459	24.9
328.18073	3.5
329.15335	13.3
329.19083	7.0
331.20471	5.6
341.15518	4.0
341.19058	22.7
345.18445	16.6
354.16379	4.8
357.18436	16.3
359.20053	16.2
361.18073	7.8
369.18542	26.4
387.19568	26.4
389.21030	17.2
391.22806	14.2
401.21133	30.7
417.52679	3.8
419.22281	47.0
437.23502	9.6
447.21765	11.3
461.22958	10.2
479.24249	15.6
503.29330	2.8
507.23807	5.1
521.25513	4.8
539.26398	12.3
567.25385	8.2
581.27570	33.7
599.28790	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	599.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
55.01873	8.2
55.05518	74.0
55.45246	4.1
69.03435	16.6
69.07085	4.2
69.22411	37.8
79.05495	16.6
79.95805	4.0
81.03410	7.0
81.07070	9.3
83.01313	4.7
83.04986	100.0
91.05485	20.1
93.07043	20.6
95.04984	11.8
95.08614	9.0
97.06541	6.2
98.21606	8.2
103.05489	6.7
103.97326	4.5
105.07040	44.5
107.08585	19.0
109.06531	11.9
115.05494	13.8
117.07005	27.3
119.08583	38.0
121.10164	9.6
128.06252	6.7
129.07007	22.2
131.04947	10.0
131.08572	32.4
133.06500	22.4
133.10114	33.9
135.08067	14.9
137.09676	9.0
141.07050	5.8
142.07791	17.6
143.08549	32.9
145.06474	29.1
145.10185	22.4
147.08086	21.1
149.09644	10.5
155.08569	14.4
156.09337	17.4
157.06488	4.5
157.10124	35.9
159.08098	19.9
159.11720	10.0
161.05992	31.3
161.09616	28.0
163.07591	26.3
165.07083	6.6
165.08961	5.5
168.09361	6.0
169.10092	22.8
170.10895	13.0
171.08081	14.8
171.11690	58.5
172.08919	7.1
173.06023	14.0
173.09637	22.0
173.13326	8.9
175.07559	14.0
177.09073	22.8
179.08614	7.0
180.09344	5.7
181.10210	14.4
182.11034	5.5
183.08022	9.1
183.11725	39.5
184.08833	5.6
185.09721	22.0
185.13292	37.1
187.07556	5.4
187.11200	14.9
189.05475	13.6
189.09094	11.0
191.06998	6.3
191.10764	10.6
193.10210	9.4
195.07967	5.8
195.11748	12.4
197.09583	11.8
197.13303	16.1
198.10329	7.6
199.11127	30.3
200.12021	7.0
201.09135	7.4
201.12831	11.8
203.10689	10.1
205.10321	5.6
207.11720	11.1
209.09694	4.4
209.13332	6.8
211.11226	10.3
213.09332	6.3
213.12740	55.1
215.10728	11.6
217.08539	12.4
217.10355	5.2
217.12210	7.7
219.11842	8.6
220.12480	7.7
221.09656	7.1
221.13287	14.3
223.11200	8.7
223.14726	6.5
225.12798	6.3
227.10657	5.8
229.12227	10.7
230.11037	5.1
231.11919	6.5
231.13834	19.9
232.12473	6.5
233.13467	7.2
235.11296	5.6
235.14738	6.7
239.10628	7.3
241.12285	16.3
243.13930	6.1
244.12457	13.3
245.13483	9.8
248.15590	5.3
249.12743	8.0
257.13327	6.4
259.13071	22.1
261.16547	6.2
271.14874	6.0
285.12827	5.9
285.16672	6.2
287.14328	8.3
288.14911	4.8
291.17282	5.4
301.15924	7.0
315.17294	10.7
317.15359	5.9
319.16989	6.1
320.17761	8.1
329.19040	7.0
331.17044	9.3
333.18585	8.8
339.17395	7.2
343.16916	16.6
345.14734	6.1
345.18616	8.0
347.20016	9.3
357.18433	22.0
359.20297	7.0
361.17972	13.5
371.14020	6.0
373.17960	7.6
375.19583	29.2
379.18829	6.7
385.17960	20.3
393.20569	10.2
403.19052	76.2
417.20749	9.2
421.20139	67.1
435.21902	7.2
439.20984	21.7
453.22705	8.0
463.21201	9.2
481.22189	16.7
499.23505	18.3
513.25079	14.7
563.25800	5.5
581.27393	20.3
599.28430	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	25.0
55.05507	8.6
57.07076	6.4
61.46452	3.6
67.05496	10.4
67.18510	3.5
69.03433	9.8
69.07053	6.2
71.04993	7.0
78.68977	3.6
79.05493	19.0
79.63375	3.6
81.03403	7.8
81.07043	16.2
83.04970	12.6
91.05489	44.5
93.07050	19.3
95.04948	14.2
95.08609	7.1
103.05477	13.6
105.07022	48.3
107.04947	12.8
107.08571	9.7
115.05453	12.3
117.07029	26.3
119.08578	54.8
121.06464	5.3
121.10114	7.9
128.06224	13.2
129.07008	23.9
130.07762	5.0
131.04930	30.0
131.08569	34.1
133.06445	18.9
133.10146	30.9
135.08047	6.2
141.06961	12.0
142.07790	15.6
143.08546	26.2
145.06516	26.2
145.10130	27.7
146.07394	4.6
147.08044	100.0
149.09613	14.5
151.03889	4.1
153.06990	3.9
155.08562	16.4
156.09279	22.6
157.06502	4.4
157.10124	44.8
159.08031	50.4
159.11635	13.9
161.05983	17.3
161.09622	56.4
163.07547	63.1
163.11163	9.3
165.07018	8.1
167.08568	5.1
169.10115	27.9
170.10925	12.5
171.08058	18.1
171.11667	70.8
173.05998	9.1
173.09621	32.2
173.13237	8.6
175.07536	41.2
175.11118	6.6
177.09088	4.7
179.07056	6.7
179.08566	6.7
180.09401	6.5
181.10139	11.9
183.08109	8.5
183.11716	37.0
185.09634	19.7
185.13261	45.2
187.07437	8.8
187.11206	9.2
189.09128	9.0
191.10684	4.5
193.10168	9.6
194.10858	5.3
195.11711	15.7
197.09595	15.1
197.13269	11.4
198.10521	5.8
199.07512	6.5
199.11168	35.4
201.12744	9.5
203.10678	5.5
205.10294	5.1
205.12273	7.7
207.11725	14.7
209.09595	9.5
209.13152	5.9
211.11143	14.4
213.09151	6.6
213.12762	53.7
215.10651	13.2
217.10263	6.5
217.12090	6.1
218.10823	4.3
219.11803	8.1
221.13246	8.7
227.10767	9.4
229.12215	10.1
231.10016	4.9
231.11926	5.1
231.13855	12.7
235.11203	8.4
237.12755	5.3
239.10699	6.0
241.12209	9.6
243.11658	8.5
243.13823	8.7
244.12498	7.9
245.13390	5.1
245.15457	25.2
247.11179	6.7
247.14795	8.5
249.16431	5.2
255.13840	7.0
257.13290	5.5
259.13388	15.3
261.12750	7.1
269.13232	8.8
270.13953	6.4
271.14856	5.2
273.12363	7.2
273.14862	27.9
275.14340	8.3
279.13879	5.6
283.14706	5.8
284.15494	5.2
285.12781	7.6
287.14273	11.6
297.12784	11.3
299.14249	11.4
299.17825	5.9
300.15051	5.7
301.15909	8.9
311.14255	6.9
312.14951	8.9
313.15765	8.7
315.17465	11.5
317.15625	6.2
317.18979	14.6
326.16519	5.3
327.13901	5.8
327.17462	17.0
329.15491	7.6
329.18906	8.1
331.16757	6.4
341.19000	20.7
342.16019	5.0
345.18527	12.7
357.18390	14.4
359.20001	12.2
369.18628	22.3
373.18021	5.9
387.19604	25.6
389.21118	5.5
391.22940	8.4
401.21585	22.3
405.20587	9.9
419.22586	40.8
437.19254	6.7
447.21930	7.2
451.21310	6.4
479.24115	14.0
521.25635	6.7
539.26007	9.4
581.27612	27.9
599.28235	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	599.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
55.01873	5.2
55.05271	5.0
55.05515	69.5
67.05504	7.3
69.03441	8.2
69.07059	7.3
69.19292	31.4
79.05479	9.7
81.03409	5.4
81.07060	7.8
83.04484	5.1
83.04986	100.0
91.05479	32.9
92.57273	3.3
93.07048	11.1
95.04976	8.0
95.08617	6.2
103.05464	3.3
105.06387	5.3
105.07034	36.5
105.87502	3.1
107.05006	3.7
107.08601	12.3
109.06518	8.2
115.05449	6.3
117.07050	20.4
119.08584	40.4
121.06513	4.2
121.10119	8.9
128.06213	5.6
129.07013	13.5
131.04932	7.8
131.08560	23.4
133.06467	14.0
133.10138	22.6
135.08051	9.4
137.09540	3.3
141.07001	7.9
142.07767	13.9
143.08568	19.9
145.06465	11.1
145.10118	15.7
147.08043	22.5
149.09642	7.5
153.06888	4.9
155.08583	11.8
156.09338	12.7
157.06554	3.7
157.10133	31.2
159.08047	20.4
159.11697	11.5
161.05989	19.2
161.09615	14.4
163.07538	14.2
165.06985	4.8
166.07770	4.1
167.08543	6.3
169.10176	17.6
170.10889	8.5
171.08069	6.1
171.11696	35.1
172.08943	3.2
173.06004	4.2
173.09630	13.3
173.13316	5.3
175.07545	11.0
177.09174	9.8
179.08516	5.9
179.10703	6.5
181.10098	13.4
182.10980	4.5
183.08148	6.9
183.11684	27.2
185.09610	11.6
185.13272	22.7
187.07545	6.8
187.11183	9.5
189.05443	8.0
189.09137	4.4
192.09332	4.2
193.10179	8.1
194.10828	4.8
195.11694	10.3
196.12497	3.9
197.09618	14.1
197.13255	11.1
198.10411	4.6
199.11220	26.2
201.12669	4.4
203.08649	6.5
205.10201	4.5
206.10936	4.4
207.11739	10.7
209.09604	8.3
209.13228	5.5
211.11136	10.8
211.14604	4.3
213.09103	6.8
213.12717	29.9
215.10695	7.1
215.14401	5.9
217.10274	8.1
217.12167	7.3
219.11693	4.5
220.12538	3.9
221.13231	10.7
222.10561	4.5
222.14070	3.7
223.11087	6.9
223.14761	4.5
225.09108	4.9
225.12750	6.4
227.10704	7.5
229.10295	4.4
229.12274	6.5
230.10904	6.8
231.11699	8.9
231.13866	11.8
233.13345	8.1
235.11105	4.3
237.12711	4.1
241.12248	8.4
243.11880	7.8
244.12459	7.8
245.13304	8.1
246.13889	5.6
247.11139	5.2
247.14905	5.7
249.12798	6.0
251.14423	5.6
253.10101	4.2
255.11775	5.6
255.14041	3.8
256.12604	6.5
257.13370	8.1
258.14133	4.7
259.13171	9.5
260.11838	4.5
261.12796	5.3
261.16425	5.0
263.14395	6.3
265.16107	3.8
270.14026	5.7
271.10840	3.8
271.14932	7.2
272.15536	5.5
273.12646	5.6
275.14490	6.1
275.17886	5.9
282.13763	4.0
283.11053	4.4
285.12762	5.0
285.16183	3.7
286.17178	4.3
287.14737	8.5
287.17941	5.8
296.15540	7.0
297.12656	7.1
297.16196	5.6
299.14093	7.9
300.15088	4.7
301.15668	4.6
303.17422	7.1
305.15054	4.9
309.12686	4.2
313.15613	4.9
314.16672	4.1
315.17328	5.3
317.15320	5.7
319.13492	6.0
324.15305	3.9
327.13690	6.2
327.17450	5.5
329.19037	10.5
331.16879	7.1
333.18533	8.3
339.17542	5.0
343.16870	14.2
345.14813	8.6
345.18451	7.6
347.20084	9.9
357.18372	31.0
359.16284	7.1
360.17361	5.0
361.18039	10.3
373.17813	17.4
375.19608	34.1
377.17349	7.2
385.17984	36.0
391.19250	7.7
393.20660	11.5
395.18140	3.6
403.13940	5.7
403.19058	82.6
405.21176	3.7
421.20184	85.8
435.21637	5.9
439.21198	44.8
453.22162	3.9
463.21033	7.8
481.22327	23.2
499.23053	20.7
581.26849	11.4
599.28137	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	599.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.4
55.01851	6.0
55.05511	72.1
64.29632	1.7
65.03909	1.9
66.77489	1.7
67.05496	6.0
69.03417	8.0
69.03764	1.8
69.07053	6.1
69.24892	4.2
69.25302	13.3
79.05492	16.5
81.03415	5.1
81.07066	8.5
83.01324	2.9
83.04980	100.0
91.05477	25.9
93.07058	16.3
95.04956	11.4
95.08582	8.1
97.06536	4.1
103.05479	10.1
105.07028	46.8
107.04941	6.1
107.08585	14.6
109.06521	10.8
109.10163	4.8
111.04458	2.7
115.05449	12.3
116.06222	3.1
117.07014	23.1
118.29780	1.7
119.07778	3.3
119.08575	34.7
119.57190	2.2
121.06485	5.2
121.10132	11.3
123.08065	2.6
128.06215	7.5
129.06963	12.5
130.07771	3.2
131.04915	11.0
131.08588	22.4
133.06509	16.1
133.10130	29.9
135.08061	11.9
137.05907	1.8
137.09624	3.5
141.06964	8.1
142.07744	11.4
143.08566	27.5
145.06490	18.4
145.10143	18.3
147.04384	2.2
147.08058	17.7
147.11668	2.5
149.05968	3.5
149.09645	9.2
151.11060	2.4
153.06989	5.1
154.07698	3.7
155.08510	13.1
156.09334	16.6
157.06471	4.4
157.10124	33.9
159.08070	19.0
159.11676	16.2
161.05963	24.6
161.09618	22.9
163.07520	22.4
163.11147	2.0
165.06975	7.9
165.09138	2.6
166.07753	4.2
167.07225	1.5
167.08595	5.9
168.09340	3.9
169.06441	2.0
169.10107	22.3
170.10931	12.1
171.08051	11.1
171.11682	54.7
173.05980	14.1
173.09622	18.2
173.13287	5.4
175.07547	9.9
175.11151	6.2
177.09084	18.9
179.07085	2.2
179.08534	4.9
179.10683	4.4
180.09352	3.7
181.10060	10.0
182.10835	3.7
183.08078	7.4
183.11696	40.3
184.08888	2.8
185.09653	15.1
185.13254	31.5
187.07497	5.9
187.11179	14.7
187.14883	3.6
189.05524	11.3
189.09116	8.6
189.12724	2.6
191.06963	4.3
191.08664	2.9
191.10603	8.4
192.09309	3.8
193.08545	2.0
193.10097	8.0
194.10780	3.3
195.08069	3.1
195.11687	12.6
197.09575	10.2
197.13181	12.3
198.10394	6.2
199.07426	3.0
199.11177	30.3
200.11961	8.3
201.09131	8.5
201.10945	1.7
201.12727	10.7
203.06961	4.2
203.08737	2.4
203.10696	6.6
204.09277	2.0
206.10851	3.3
207.11681	9.9
208.08762	1.9
208.12367	3.0
209.09546	4.8
209.13202	7.9
211.11206	11.3
213.09064	7.1
213.12737	37.1
213.16341	1.7
215.08720	2.9
215.10655	7.4
215.14307	3.8
217.08525	6.3
217.10205	5.8
217.12282	4.8
218.10840	2.5
219.11661	5.7
220.12398	4.9
221.09657	4.0
221.13280	11.1
223.11111	7.7
223.14825	3.7
224.11903	2.7
225.09047	3.3
225.12717	4.6
227.10635	4.8
229.10252	3.1
229.12219	9.6
230.10864	5.1
231.10030	5.3
231.11766	5.7
231.13779	19.1
232.12378	5.8
233.09592	2.8
233.13216	6.8
234.10472	2.3
234.14122	3.2
235.11153	7.1
235.14853	3.5
236.11836	3.0
237.09048	2.5
237.12720	5.4
237.16299	2.3
239.10620	4.2
239.14262	1.8
241.12233	10.0
243.09814	3.6
243.11884	4.2
243.13850	3.5
244.12383	5.0
245.09521	2.6
245.13239	6.4
246.13986	5.4
247.11264	4.6
247.14813	6.6
248.15613	2.6
249.12672	5.4
249.16531	3.8
250.13464	2.8
251.10616	2.5
251.14342	3.6
253.12292	3.9
255.10020	2.5
257.13135	7.4
258.10373	3.4
258.14041	4.1
259.10818	3.3
259.12970	18.4
260.15784	2.4
261.12930	2.3
261.16528	4.6
262.13571	2.6
263.10577	2.3
263.14322	4.4
263.18021	2.4
267.11386	2.7
267.13947	2.4
269.13434	3.3
270.14075	2.9
271.14862	7.4
272.15555	3.7
273.12738	4.2
273.16397	5.2
274.17078	2.3
275.14484	2.5
277.14471	4.0
279.13739	5.3
282.13931	2.8
283.14697	3.3
284.15387	3.4
285.12988	4.0
285.16275	4.2
286.13480	4.6
287.14166	6.6
289.12170	2.0
291.13818	2.9
291.17288	3.1
293.15289	2.3
296.15601	2.3
297.16046	2.8
299.14206	6.1
299.17670	2.9
300.15076	4.4
301.16037	4.0
301.19467	4.1
303.13651	2.5
303.17245	3.7
305.15186	5.1
305.18637	2.1
310.13113	1.9
311.14331	2.7
311.17612	2.8
313.12231	2.4
313.15839	4.4
314.16623	3.5
315.14008	3.5
315.17377	8.5
316.14581	2.2
317.15268	4.7
319.13278	2.5
319.16956	4.4
320.17596	4.3
326.16641	2.6
327.13635	4.8
327.17432	4.1
328.14526	2.9
329.15347	3.9
329.19000	6.0
331.16788	6.9
333.14828	2.6
333.18396	7.1
339.17438	2.6
342.16129	3.3
343.13193	3.3
343.16837	13.2
345.14523	2.4
345.18497	5.9
347.16171	2.6
347.19901	7.8
349.17944	3.1
357.18552	20.2
359.16284	5.5
359.20175	2.5
361.17929	13.3
363.19498	2.9
373.18021	9.4
375.19504	25.3
379.18991	2.3
385.17877	21.7
388.16431	2.0
391.18839	7.6
393.20679	14.7
403.18997	60.4
409.20160	2.8
421.20078	59.8
435.21381	3.7
439.21152	16.4
463.20895	6.4
481.22327	15.7
499.23276	12.7
513.25800	2.5
563.25995	2.4
581.27655	13.9
599.29089	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	599.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.05516	62.6
67.05505	3.6
69.03442	4.3
69.07024	4.4
73.54323	3.2
79.05495	9.3
81.07042	8.5
83.04984	100.0
90.95071	3.2
91.05482	20.6
93.07037	9.2
95.04983	3.9
95.08612	7.9
97.06517	5.8
103.05492	7.7
105.07054	23.9
107.04940	3.9
107.08594	12.2
109.06499	4.3
112.46633	2.9
115.05438	7.5
117.07024	11.4
117.76279	3.1
119.04978	5.8
119.08588	28.3
121.06474	4.5
121.10144	5.2
123.08055	3.4
128.06151	5.4
129.07014	7.1
131.04895	4.3
131.08575	11.2
133.06491	14.2
133.10153	18.8
135.08070	10.4
141.07022	7.0
142.07770	6.8
143.08592	11.5
145.06488	3.6
145.10133	10.9
147.08080	14.6
147.11661	3.5
149.09645	7.8
153.06996	5.1
154.07745	4.8
155.08543	7.8
156.09323	6.3
157.06450	3.9
157.10118	18.2
159.08072	10.2
159.11684	10.4
161.06020	15.0
161.09613	21.7
163.07585	5.4
165.07042	5.4
165.09073	6.0
167.07265	3.2
167.08618	8.7
169.10068	16.4
170.10873	6.0
171.08061	6.0
171.11664	21.3
173.09612	10.0
173.13280	4.5
175.07570	5.9
175.11223	4.0
179.08508	4.8
181.10123	9.3
182.10905	6.0
183.11787	19.3
184.08894	4.3
185.09686	10.3
185.13179	8.7
187.11177	4.0
189.05476	7.8
189.09100	3.8
192.09525	4.0
193.10104	9.4
195.08127	7.6
195.11711	8.9
197.09618	13.9
197.13310	12.9
199.11212	18.4
201.12799	6.5
203.08549	3.4
205.10204	7.0
206.10895	4.8
207.11714	8.2
208.12366	6.4
209.09660	6.1
209.13240	5.2
211.11191	5.7
213.12709	26.4
215.08611	4.9
215.14325	5.3
217.10202	6.7
219.11768	7.7
221.13254	11.5
223.11220	6.5
225.09145	6.1
225.12767	4.0
227.10611	7.3
229.12190	6.0
230.11070	4.5
231.11708	8.8
233.13281	6.8
234.14099	4.0
235.11157	6.8
235.14845	7.8
237.12706	7.1
244.12492	7.1
245.13219	8.4
247.11053	4.6
247.14784	7.0
249.12798	7.1
251.14319	5.8
253.12352	3.3
256.12317	4.2
257.13309	11.3
258.13980	4.5
259.15109	5.7
261.12698	3.9
261.16397	6.8
263.14352	10.0
269.13226	5.8
271.11432	5.3
271.14801	12.0
272.11929	3.5
272.15445	3.5
273.16479	6.9
275.17947	5.2
281.13046	4.9
282.13968	4.4
283.14917	5.3
285.12689	4.0
285.16205	5.0
287.17896	5.1
313.15842	7.8
314.16638	3.6
315.13943	4.8
315.17471	7.1
317.15460	4.8
327.13934	6.8
329.18906	7.6
331.17010	7.6
333.14792	6.5
333.18457	5.1
343.17001	4.0
345.14877	7.2
345.18582	7.5
355.17114	5.1
357.18451	14.7
359.16187	4.6
361.18021	7.2
363.15771	5.3
367.16995	6.4
370.15759	5.8
373.17914	14.2
375.19623	32.4
377.17163	5.8
385.17960	43.3
391.18896	8.1
393.20749	16.4
403.19037	79.7
409.19980	3.9
421.20132	71.9
439.21048	32.5
463.21146	13.1
481.22208	22.8
481.28351	4.0
499.23190	15.0
581.26971	6.5
599.29529	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	599.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.5
55.01875	4.4
55.05515	61.8
61.03543	2.7
62.52164	2.6
66.70876	3.7
67.05499	8.8
67.57124	2.7
69.03423	4.7
69.07056	4.6
70.49857	7.8
79.05490	8.2
81.07047	7.2
83.04991	98.8
91.05489	15.6
93.07060	17.8
95.04969	10.0
95.08605	12.0
98.20806	3.0
103.05445	6.7
105.07029	22.3
107.08588	12.6
109.06517	7.6
109.10162	3.9
115.05450	4.2
117.07029	9.3
119.08562	16.9
121.06490	6.2
121.10155	4.9
123.08079	3.8
128.06154	4.3
129.07013	5.1
131.04942	3.8
131.08597	12.2
133.06496	8.2
133.10130	35.0
135.08093	7.6
137.09624	3.6
141.06985	7.5
142.07758	5.4
143.08562	15.5
145.06502	4.2
145.10124	19.4
147.08043	22.5
149.09633	7.3
153.07010	4.1
155.08557	9.3
156.09309	9.7
157.10167	27.5
159.08072	13.4
159.11790	4.6
161.05975	6.1
161.09637	13.3
165.07010	5.2
165.09125	6.8
166.07761	3.9
167.08595	8.8
169.05025	5.3
169.10141	12.8
171.08092	10.3
171.11697	20.8
173.09633	10.1
173.13324	4.4
175.11191	5.1
177.09084	7.0
179.08566	6.5
181.06419	3.3
181.10065	7.2
182.10846	3.9
183.11719	15.2
184.08871	7.5
185.09659	10.3
185.13251	10.0
187.11209	5.4
191.10646	4.4
192.09285	3.6
193.10147	8.8
194.10869	4.4
195.08099	4.1
195.11737	7.8
197.09616	12.1
197.13237	9.0
199.11192	19.9
201.12820	5.2
203.10625	4.0
205.10349	4.5
205.61650	3.4
206.10976	3.1
207.11760	10.2
209.09641	6.3
209.13300	5.5
211.11186	9.4
213.12727	15.4
215.10640	6.3
216.09303	6.2
217.10130	2.9
217.75481	2.9
219.11745	3.3
221.09659	5.1
221.13190	7.7
223.14796	9.2
225.12773	3.6
227.10725	5.2
229.10243	4.5
229.12102	6.7
231.11722	7.1
232.12451	5.8
233.09663	4.9
233.13310	7.5
235.11171	4.6
235.14868	7.2
237.12793	4.5
239.14317	5.4
242.10565	4.4
243.11761	4.6
244.12497	6.9
245.13301	10.1
246.14165	6.7
247.11116	10.1
247.14864	8.3
248.11961	3.6
249.12682	3.8
249.16455	4.7
251.14229	3.5
255.11720	3.3
257.13318	6.0
258.14093	7.4
259.11264	5.6
259.14783	8.3
260.15515	5.9
261.12860	4.1
261.16547	3.3
263.14401	6.4
269.13281	4.2
270.14142	4.1
271.14822	7.7
273.12906	4.5
273.16403	4.3
275.14487	3.6
275.17828	6.7
277.15771	6.5
287.14230	8.7
287.17761	3.8
289.15778	6.6
291.17554	4.1
300.15338	3.3
301.15863	3.5
303.17471	11.8
305.19037	4.7
313.15668	3.7
315.17410	7.7
315.39609	3.5
319.16974	6.1
321.18542	8.1
327.17609	5.5
329.15283	4.9
329.18896	6.3
331.16870	7.3
339.16885	5.4
343.16730	4.9
345.14722	6.1
345.18680	4.8
347.16373	3.6
357.18527	8.1
359.16205	3.9
359.20197	4.6
361.18048	6.9
373.18097	7.7
375.19455	18.1
377.21188	6.9
379.19159	4.6
385.17953	16.0
391.18851	7.7
393.20557	12.3
403.19101	43.8
411.21408	4.9
421.20120	100.0
435.20950	3.6
439.21216	40.2
453.22733	6.4
463.20834	6.0
481.22195	15.8
499.23087	12.3
581.27130	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	599.2503
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
53.03953	1.1
55.01881	0.8
55.05519	3.1
57.07084	0.7
61.32344	0.5
65.03956	0.5
67.05510	9.2
69.03427	0.6
69.07078	2.3
71.04987	0.5
79.05501	9.1
81.03412	0.8
81.07062	9.0
82.13775	0.5
83.04990	1.0
83.08627	1.7
85.06548	0.7
89.06050	1.0
91.05482	7.4
93.07047	7.4
95.04980	1.6
95.08614	6.5
97.06554	1.1
105.07022	5.4
107.08608	4.6
108.08167	0.8
109.10135	2.2
111.08134	0.6
117.04908	0.4
117.07053	3.0
119.08610	4.4
121.10153	5.7
123.08067	0.7
123.11759	0.8
125.06014	0.7
125.09600	0.6
127.03750	0.4
129.07025	1.0
131.08575	3.3
133.08565	0.6
133.10120	2.7
135.08112	0.8
135.11688	2.1
137.09602	0.7
143.08543	1.1
145.10112	2.7
147.08047	1.4
147.11700	1.7
149.13316	0.5
155.08583	0.5
157.10146	2.1
159.11717	1.4
161.13274	1.1
163.11174	1.1
165.09178	1.9
169.10246	0.7
171.11719	1.4
173.13284	0.6
181.10173	0.7
181.12323	1.3
183.11742	1.1
185.13406	0.7
187.49240	0.5
193.10173	0.8
203.14316	1.1
209.13329	0.7
221.10886	0.8
221.15393	4.6
222.11583	0.9
223.12358	1.4
225.13889	0.7
233.10706	0.6
235.12381	1.0
236.13087	0.7
237.13861	1.5
238.14703	1.0
247.12576	0.6
247.16963	1.1
249.14064	1.3
251.11909	1.6
251.15466	1.8
257.19043	0.7
259.20609	0.6
261.13916	1.4
264.12567	1.1
265.13474	0.9
275.20218	0.6
276.14932	0.7
277.13373	0.6
277.21719	0.6
279.14929	1.6
288.15411	0.5
294.72687	0.5
299.14618	0.5
314.16614	1.2
315.17511	0.7
325.14444	1.1
326.16705	0.6
328.17853	0.7
329.18906	0.9
330.19800	1.3
336.14978	0.9
337.15253	0.5
338.15976	1.1
339.16080	3.8
340.17322	2.4
342.16101	0.7
342.19873	0.9
349.15009	0.6
350.16168	0.6
351.16876	1.0
352.17957	1.7
353.17624	4.3
354.18497	5.0
358.19186	1.9
363.16385	1.7
364.17279	2.0
365.17926	2.3
366.18570	1.5
367.15277	1.0
367.19315	1.8
368.20190	1.3
369.20782	13.6
375.16815	0.6
377.17902	1.5
379.19266	7.4
380.20230	0.7
381.17126	1.5
381.21042	1.3
382.17773	0.8
387.72812	0.6
389.17889	0.7
391.19708	1.0
392.16522	0.7
393.16959	1.6
393.21286	1.1
394.18198	1.3
395.18369	1.1
395.22794	1.2
396.19937	0.6
397.20300	8.0
405.16907	1.4
405.21283	1.0
407.18655	1.6
408.19504	0.6
409.20477	1.6
410.18362	1.0
419.18695	1.4
421.20471	1.3
423.21753	1.9
425.19769	21.8
426.21524	1.3
428.19434	0.8
433.20306	1.5
435.21906	0.8
437.19739	2.0
439.21457	1.4
440.22485	1.2
441.22961	1.6
444.22849	1.0
447.18488	0.8
449.19815	0.9
451.21390	13.4
452.22308	2.6
453.18829	3.7
455.24802	3.8
456.25620	5.5
461.19815	2.0
462.20514	3.7
463.21445	1.3
465.23209	0.8
467.25110	2.7
468.21603	0.7
469.22379	1.9
479.20999	0.9
480.21521	0.9
483.24133	3.0
484.24753	7.3
489.19250	0.7
493.22659	1.2
495.23779	1.4
496.21167	0.8
497.22000	1.7
507.20221	0.8
511.23370	5.6
512.24243	36.4
521.21729	3.4
539.22943	35.3
540.23145	0.8
549.20795	0.6
555.26300	1.0
567.21979	0.9
581.23730	1.0
581.41901	0.9
582.22546	1.8
598.62866	0.7
599.25049	100.0
599.42316	11.0
600.24933	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.6
55.01870	16.3
55.05515	38.0
57.03431	3.0
65.03957	4.1
67.05515	20.9
69.03426	20.9
69.07084	6.4
71.05003	29.8
71.55692	5.1
79.05493	33.5
81.03427	20.7
81.07069	27.7
83.01369	2.9
83.04986	60.3
84.47517	3.4
85.02927	22.1
87.00832	8.6
91.04929	2.4
91.05481	52.2
93.07046	31.6
95.04971	38.7
95.08622	16.7
97.02892	13.6
97.06528	7.6
99.04446	21.1
103.05477	31.3
105.01875	9.0
105.06382	5.8
105.07038	66.2
107.04955	10.6
107.08611	24.2
109.02866	25.2
109.06532	29.0
109.10168	9.8
111.04465	4.1
115.05479	12.7
116.06252	5.5
117.07021	35.7
119.04962	15.6
119.08599	46.6
119.14573	2.7
121.02825	5.7
121.06528	19.5
121.10137	9.6
123.04426	9.2
123.08070	9.1
125.06007	8.3
125.09637	3.1
126.85752	3.3
127.03846	16.2
128.06212	24.7
129.06987	25.6
131.04939	70.0
131.08577	43.9
133.06500	32.6
133.10170	21.7
135.04436	12.9
135.08041	16.1
135.11729	3.6
137.02328	17.8
137.05991	14.3
137.09650	7.7
139.03925	26.4
141.07011	12.2
142.07797	13.5
143.08554	42.8
144.09352	3.9
145.04973	3.8
145.05460	3.5
145.06529	30.4
145.10138	20.4
146.07294	3.5
147.04401	9.3
147.08075	28.4
147.11591	3.7
149.06015	15.8
149.09636	14.8
151.07549	10.6
153.05484	13.7
153.06952	8.1
154.07808	7.0
155.08565	21.6
156.09357	11.7
157.06528	9.0
157.10165	30.1
158.07330	4.1
158.10962	3.1
159.04437	4.9
159.08080	37.8
159.11703	16.4
160.08788	3.8
161.05997	35.0
161.09633	29.8
161.13155	3.8
163.03891	3.4
163.07556	18.6
163.11162	4.9
165.05524	11.7
165.07004	15.6
165.09128	6.9
166.07828	5.3
167.07082	9.3
167.08614	14.4
168.09389	6.5
169.06549	6.7
169.10135	25.2
170.10898	5.1
171.08089	28.3
171.11694	30.3
173.06003	15.2
173.09631	18.9
173.13264	9.5
175.07596	22.2
175.11159	9.0
176.21689	3.0
177.05464	12.5
177.09169	12.1
178.07841	5.0
179.07045	21.5
179.08589	14.6
179.10727	4.7
180.09404	6.4
181.04968	3.7
181.06511	4.8
181.10114	14.4
182.10870	8.2
183.06586	3.7
183.08046	16.4
183.11699	25.0
184.08730	7.1
185.06049	7.4
185.09618	20.1
185.13240	9.7
187.07567	14.1
187.11208	12.7
189.05489	8.8
189.07445	3.4
189.09109	23.1
191.07022	3.8
191.08623	3.4
191.10728	6.2
192.09438	6.3
193.08638	8.1
193.10158	12.2
195.06502	5.6
195.08087	8.0
195.11676	14.9
196.08807	6.4
196.12656	3.9
197.09673	19.8
197.13255	10.2
199.07581	13.7
199.11200	33.4
201.09093	14.1
201.12759	9.5
203.07022	8.5
203.08731	5.9
203.10580	5.6
205.08612	25.6
205.10129	6.2
206.10883	6.8
207.06531	8.0
207.08252	5.7
207.11754	11.3
208.08852	4.5
209.09639	13.7
209.13263	7.0
210.10457	5.7
211.07613	4.5
211.11194	13.4
211.14781	3.5
213.09067	14.9
213.12753	21.8
215.06975	5.4
215.10693	10.6
216.09377	6.5
217.08531	32.7
217.10390	4.7
217.12178	6.2
219.10101	7.5
219.11911	6.4
220.08862	4.4
220.12418	6.0
221.09641	10.1
221.13354	6.9
222.10493	5.1
223.11217	14.0
223.14818	3.9
225.09113	13.0
225.12752	10.0
227.06934	4.4
227.10652	18.9
229.08359	6.4
229.10315	5.5
229.12305	8.9
230.11017	7.0
231.10123	10.8
231.11830	9.9
231.13773	5.7
232.12524	6.7
233.09770	7.6
233.13272	8.9
234.10455	5.1
235.07423	6.9
235.09375	32.7
235.11603	5.7
235.14897	6.7
237.09079	8.2
237.12775	8.2
239.10724	6.5
239.14371	5.5
241.08450	4.8
241.12279	10.3
243.10077	8.5
244.12601	4.8
245.08002	7.5
245.11667	6.5
246.10326	4.8
247.11229	8.8
247.15025	4.5
249.05666	3.3
249.08945	6.3
249.10979	25.2
251.10713	4.9
251.14348	6.6
253.12408	5.7
255.13927	4.7
256.12445	5.1
257.13556	4.8
258.10489	4.4
259.11145	4.8
259.13321	6.3
261.12854	5.0
263.10751	4.8
263.14319	3.7
265.12326	10.0
270.14197	4.4
271.11124	5.6
273.12643	4.5
275.14514	3.7
277.15546	2.8
279.13751	7.7
281.11658	6.3
283.13309	7.3
285.12695	4.5
285.16483	4.9
287.13562	5.5
289.11993	4.1
291.13794	7.2
293.11685	8.3
297.15973	5.0
297.22281	4.7
299.10400	4.4
299.14273	6.0
301.15790	4.6
303.13776	9.1
305.14804	4.2
305.19040	3.9
307.13434	3.8
311.13947	4.2
313.11929	4.1
315.14001	6.8
315.23065	7.1
317.15274	5.3
319.16907	4.5
325.14621	4.5
329.15338	8.6
331.16971	8.6
333.14841	5.3
333.24243	3.7
335.16422	4.5
341.15375	4.8
343.16107	9.9
345.14899	10.9
347.16284	7.2
349.14114	3.6
349.17969	6.0
357.14716	7.7
357.18494	7.9
359.16321	13.7
361.17767	9.6
363.15884	8.0
373.18085	7.1
375.15762	9.8
375.19785	7.6
377.17459	14.4
379.19006	4.4
381.17084	4.4
385.18024	5.8
387.15955	13.9
389.17578	5.9
393.20926	4.5
399.15201	3.6
401.16550	4.7
403.19345	26.3
405.16861	21.2
415.15591	8.7
419.18509	8.3
421.20551	24.2
423.17953	12.6
429.16806	4.9
433.16681	20.5
435.17737	5.3
437.19608	4.7
441.19354	5.3
447.18100	16.0
451.17459	8.3
457.18832	4.7
459.20154	4.9
465.19128	30.7
481.21967	9.7
483.20172	29.0
487.19925	3.6
491.20898	4.3
495.23871	6.8
499.23196	8.2
503.19977	4.9
521.21826	15.4
539.23218	3.0
563.22589	27.0
581.23590	43.8
599.24634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.4
55.01884	4.0
55.05516	24.8
57.03452	14.0
57.07073	4.0
58.06606	18.9
62.62107	2.3
63.14827	2.5
65.03948	3.7
67.05512	68.9
69.03425	8.6
69.07073	19.7
71.04989	6.2
71.08657	2.9
71.55453	4.3
79.05500	45.5
81.03428	79.4
81.07067	63.5
83.04996	23.4
83.08624	21.5
85.06528	2.6
87.04471	3.5
91.05486	40.8
93.07056	52.6
95.04979	28.3
95.08614	49.7
97.06564	6.9
97.10168	8.5
100.07628	4.7
105.07037	33.1
107.05001	5.9
107.08616	32.8
109.06535	6.6
109.10165	29.1
111.08092	6.3
113.09676	3.0
115.05488	3.5
117.07015	10.5
119.08593	35.1
121.06499	3.1
121.10139	31.8
123.08105	6.7
123.11713	8.3
125.09589	4.0
129.07004	9.9
131.08580	21.7
133.06454	3.3
133.10149	24.0
135.08063	5.1
135.11696	16.7
142.07771	4.0
143.08546	7.5
145.10130	18.8
147.08067	4.8
147.11691	11.6
149.09633	9.4
149.13239	8.8
155.08516	3.6
157.10072	13.2
159.08087	3.8
159.11708	12.4
161.09554	3.4
161.13275	7.3
163.14822	3.0
171.11728	6.1
173.13281	7.2
175.11243	9.8
175.14841	4.2
176.07761	2.9
183.11783	3.8
185.13300	7.1
187.14793	5.0
193.12201	18.8
197.13342	3.5
198.06876	2.8
201.16446	4.5
209.13243	3.0
221.15309	4.4
227.12878	5.2
233.15527	2.4
240.49084	2.5
243.21130	5.5
261.22156	13.3
267.15933	100.0
285.17029	2.9
301.25262	3.3
317.24509	3.5
335.25833	76.8
379.22034	2.8
435.32861	5.4
453.33694	8.7
527.16876	3.3
527.37384	53.3
545.38367	30.0
563.39709	3.3
598.27545	3.7
598.40979	72.6
599.40753	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	599.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01880	1.3
57.03437	0.9
58.55389	0.5
69.03451	0.7
69.58489	3.2
69.58905	0.9
70.06609	0.9
71.04988	1.7
79.05495	1.2
81.03416	1.2
85.02907	4.9
91.05481	1.2
93.03402	0.6
93.19069	0.6
95.04989	1.6
97.02895	1.6
101.44909	0.7
106.27177	0.6
107.04964	100.0
109.02872	0.9
119.04969	0.7
121.02929	1.4
129.07004	0.9
131.04927	1.7
145.06477	1.0
147.04420	1.4
149.05991	1.6
151.03882	1.3
159.08023	0.8
161.06020	0.8
163.03914	1.3
171.04451	0.6
173.05984	1.5
175.03951	2.5
177.05551	1.5
181.04953	1.9
181.06483	0.7
182.72823	0.7
185.05954	0.9
187.03889	1.1
189.05550	1.5
193.05046	3.1
199.03909	0.7
201.05501	1.4
205.05043	3.7
213.05408	0.7
217.04997	5.5
219.06537	2.2
221.04553	1.9
223.06010	2.1
229.05002	1.3
231.06581	2.0
235.06071	3.6
241.04922	1.1
243.06662	1.4
247.06065	5.4
249.11269	1.6
255.06543	1.7
259.06052	7.9
271.06088	3.2
273.07550	1.8
277.07187	1.7
281.07925	0.9
283.06021	1.3
285.07660	1.0
287.05612	4.0
287.08829	1.0
288.05838	5.0
289.06250	8.0
290.06454	2.8
291.06573	2.5
299.09299	1.8
301.07150	2.8
311.09140	1.0
313.06992	3.3
317.10300	1.8
323.09204	1.1
325.07095	2.2
329.10327	3.8
337.07544	0.6
337.66010	0.7
341.10330	3.7
343.08301	2.0
353.10211	6.3
355.08276	0.8
359.10980	0.7
365.10257	3.8
367.41635	0.6
377.10364	1.6
383.11292	7.5
389.10321	1.4
393.09857	1.0
395.11380	8.8
407.11310	8.0
413.12305	2.5
419.11160	5.6
425.12415	4.6
431.13550	10.9
437.12216	1.0
443.13495	4.6
449.12375	6.4
461.14105	3.7
467.13235	3.2
471.98544	0.7
473.12234	1.2
479.13342	3.5
485.14664	4.0
491.13379	2.3
497.14447	6.4
509.14130	3.1
527.15247	3.4
545.16504	2.1
563.17249	1.0
627.79602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	3.4
52.78873	2.5
53.03939	3.9
53.20009	2.7
54.89113	2.6
55.01849	3.8
55.05307	3.1
55.05516	32.3
57.03445	19.5
57.07053	3.6
58.06606	12.7
59.97376	2.7
65.03931	3.5
67.05509	82.2
69.03449	4.1
69.07071	21.3
69.31324	25.1
71.04996	6.8
79.05499	46.3
81.03427	86.7
81.07064	71.6
83.04987	18.5
83.08625	21.8
85.06518	3.1
87.24273	2.6
91.05489	40.9
93.07050	60.8
95.04984	24.5
95.08616	53.1
97.06541	7.5
97.10173	5.4
98.21542	5.4
100.07645	3.0
105.07040	38.3
107.04982	8.9
107.08608	30.4
107.09739	2.4
109.06504	7.7
109.10172	23.1
111.08098	9.6
115.05479	4.7
117.07014	10.2
119.08589	35.9
121.06503	4.9
121.10145	30.0
123.08092	3.0
123.11737	5.9
125.09641	5.7
129.07002	13.1
130.74741	2.3
131.08569	21.0
133.10136	18.7
135.08075	3.8
135.11719	15.5
137.09598	4.2
142.07846	4.6
143.08560	7.4
145.10181	17.1
147.08051	7.1
147.11674	16.6
148.27599	2.8
149.09579	3.8
149.13271	8.3
155.08511	3.9
157.10126	16.7
159.11656	16.4
161.13300	5.2
163.14914	3.9
171.11649	7.3
173.13245	10.3
175.11203	9.1
175.14838	4.4
183.11566	2.8
185.13336	5.7
187.14845	4.7
193.12244	21.9
199.14726	2.8
227.12770	4.1
243.21161	3.7
257.17288	3.8
261.22174	12.4
267.15936	100.0
301.25104	3.5
317.24768	4.5
333.24219	3.3
335.22018	5.5
335.25842	83.8
348.92700	3.3
417.31482	3.6
435.32690	4.7
453.33743	7.5
458.04459	3.3
471.34570	5.3
505.35178	3.7
527.37244	50.0
531.36115	3.1
545.38379	36.5
563.39111	10.9
598.26208	3.2
598.40894	45.8
607.26520	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	598.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01868	1.9
56.05051	1.5
57.03442	2.5
60.04530	31.6
61.02944	1.0
61.84221	1.0
62.06094	1.7
67.05508	4.4
69.03433	5.8
69.07065	2.1
70.06606	2.7
71.04998	1.5
71.56184	1.0
72.08181	1.8
73.02930	1.7
74.06100	1.7
79.05496	6.5
80.05043	1.1
81.03423	15.3
81.07066	8.3
82.51202	1.2
83.08630	1.6
84.04492	1.8
85.02917	17.4
86.06104	1.6
87.00861	2.0
87.51231	1.0
91.05496	4.7
93.07069	4.2
95.05006	2.2
95.08598	5.8
97.02895	5.0
97.10188	1.4
99.04481	3.0
103.05501	2.9
104.07127	2.0
105.01925	1.7
105.07068	4.2
107.04956	7.5
107.08634	3.2
109.02908	4.1
109.10174	2.5
115.05505	4.6
117.07027	10.3
119.08607	1.8
121.06575	1.4
121.10197	1.7
122.02752	2.0
123.04468	2.4
123.11738	1.4
127.03918	8.9
129.07045	1.4
130.04147	1.0
131.04953	2.9
131.08636	4.6
135.11746	1.4
137.06009	2.8
137.13313	1.4
145.05028	3.6
145.06541	22.3
147.11751	1.4
151.03926	2.7
152.04720	1.1
152.07108	1.0
153.05649	1.4
155.06094	3.1
155.45143	1.0
156.05748	4.2
159.03020	1.4
159.08115	4.3
161.05981	6.4
167.07051	44.8
168.07507	1.5
173.05989	46.7
175.07518	2.5
177.05479	1.2
180.08730	6.3
181.05109	1.6
181.08656	1.3
187.07536	6.4
190.06245	25.1
190.07719	1.9
191.07108	2.5
192.07832	1.6
193.08640	6.5
202.06371	2.0
203.07133	4.6
205.08612	100.0
205.84073	1.0
207.06534	1.9
209.08206	1.8
217.08615	34.8
219.08180	2.0
219.10315	5.5
223.09737	2.5
231.10294	1.1
235.09666	31.5
247.07521	1.9
247.09628	7.1
263.07056	1.4
263.10873	2.0
265.10739	40.0
278.24863	1.5
288.05862	1.9
291.10040	1.3
293.08661	1.1
296.26019	3.2
310.11490	1.2
314.27112	3.8
315.08957	3.7
319.09952	1.6
330.11053	6.9
331.11938	3.3
332.28046	9.9
347.22006	1.1
348.22595	2.1
350.28949	13.5
350.95432	1.1
351.12552	4.0
371.15073	3.3
383.14935	11.1
401.12265	1.3
401.16257	13.2
503.23746	1.4
554.35309	2.5
580.33447	5.6
598.34637	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	597.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
55.01867	8.8
55.05516	58.8
57.03429	2.0
64.44228	2.1
67.05492	7.3
69.03419	7.2
69.07061	3.2
71.04991	3.6
71.55201	3.2
79.05476	10.4
81.03407	8.6
81.07050	7.7
81.69706	2.0
83.04988	100.0
85.06529	2.2
88.42290	1.8
91.05487	30.2
93.07044	10.4
94.99839	2.1
95.04954	8.1
95.08597	5.5
97.06517	2.9
103.05460	6.8
105.06458	2.7
105.07047	22.4
107.04980	6.2
107.08588	7.2
109.06518	6.5
109.10130	5.7
115.05446	7.1
116.06238	2.2
117.07001	17.2
119.04947	2.5
119.08582	30.4
121.02895	3.2
121.06516	5.9
121.10149	6.7
123.08131	3.7
128.06224	10.1
129.07004	18.1
131.04935	8.8
131.08586	23.8
133.06448	6.2
133.10127	18.9
135.08044	7.5
141.06973	8.0
142.07806	13.4
143.08595	21.2
144.05708	3.4
144.09441	2.7
145.06464	14.1
145.10107	17.3
147.08064	44.9
149.09612	9.0
155.08517	8.7
156.09418	10.8
157.06540	3.8
157.10129	38.3
158.07266	2.4
159.08066	46.6
159.11716	21.5
161.05977	7.3
161.09641	39.3
161.13202	3.8
163.07542	9.1
163.11221	3.4
165.06978	4.5
167.08565	5.9
168.09303	3.5
169.10118	15.0
170.10881	7.4
171.08098	13.2
171.11703	45.3
173.05997	3.1
173.09648	19.4
173.13219	5.8
175.07570	10.2
175.11182	5.1
177.09018	2.5
179.08539	4.6
181.10094	5.5
183.08066	8.1
183.11711	28.8
184.08859	3.0
185.09633	16.0
185.13287	27.8
187.07454	3.2
187.11211	10.9
189.09056	5.1
193.10117	5.0
195.11700	8.9
197.09612	8.8
197.13260	7.5
198.10431	3.1
199.11163	14.7
200.11873	2.3
201.09151	3.3
201.12759	7.1
203.14375	3.8
205.10204	2.5
206.10802	2.5
207.11679	7.7
209.09566	4.4
209.13277	7.3
211.11200	9.6
213.09105	3.6
213.12767	40.3
215.10674	4.0
215.14200	3.6
216.09373	2.6
217.12231	5.2
219.11705	6.6
221.13332	2.9
223.11168	4.3
223.14909	3.0
225.09210	3.5
225.12772	3.9
229.12297	7.7
231.09901	2.9
231.11903	4.5
231.13823	10.1
232.08923	2.6
233.13387	3.8
233.15416	5.7
234.14162	3.6
235.10980	2.6
235.14857	3.4
237.12758	6.1
241.12306	6.2
243.11661	3.1
243.13841	5.5
245.13284	4.2
245.15366	15.7
247.11125	3.1
247.15010	5.2
249.12964	3.5
255.13901	2.8
259.13260	4.1
261.12723	4.9
263.14044	2.6
263.16510	4.8
265.12149	2.5
269.13211	4.3
270.10126	2.7
270.14053	4.2
271.11185	5.4
271.14749	4.3
273.14706	16.7
275.14413	3.9
279.17429	2.4
279.20538	2.6
281.15735	2.9
283.10968	2.8
285.12759	4.6
287.14267	5.3
287.17700	2.3
289.15756	3.1
291.15863	3.8
297.12775	6.3
299.14346	4.6
300.14789	3.9
301.15833	6.8
302.16626	3.0
303.13730	2.9
303.17334	2.6
311.14285	2.5
312.14944	4.3
313.15836	5.1
314.12958	2.5
315.17337	7.6
317.15396	4.4
317.18948	4.4
319.17221	3.5
327.17252	5.2
329.15457	4.0
329.19012	6.2
331.16840	8.6
333.18518	2.3
335.16080	2.3
341.18997	7.4
345.14716	2.5
345.18436	7.4
349.18277	3.1
357.18488	7.3
359.16092	3.6
359.19974	8.0
361.17734	5.8
363.19394	2.5
369.18808	3.1
373.17856	6.4
375.19675	2.5
377.17316	4.4
377.21396	3.5
387.19583	9.2
389.21182	7.1
391.18607	4.7
391.22952	3.9
393.20609	3.0
401.21106	7.8
405.20908	10.7
419.17401	2.8
419.22733	15.5
423.21909	3.8
433.20102	4.9
437.23776	24.0
451.21527	3.4
465.23248	4.1
497.25031	6.6
537.24738	3.7
565.27673	3.4
579.29633	5.8
597.26807	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	597.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
54.94511	3.2
55.01881	19.1
55.05513	55.9
59.56120	4.0
67.05493	8.5
69.03447	7.3
69.07062	8.6
69.81379	5.3
69.81786	11.5
71.04990	3.6
71.71661	3.3
79.05484	10.3
81.03413	12.1
81.07040	3.5
83.04986	100.0
91.05486	39.2
93.07040	11.3
95.04977	9.8
103.05467	7.2
105.07038	25.7
107.04932	3.1
107.08606	7.7
109.06530	8.1
113.06041	3.5
115.05454	14.3
117.07023	21.2
119.08587	37.7
121.06486	8.5
121.10139	6.1
123.08060	4.4
128.06209	9.5
129.07028	27.2
131.08580	26.3
133.10165	19.4
135.08080	10.7
137.09590	3.5
141.06995	6.6
142.07768	13.3
143.08568	29.9
145.06520	18.9
145.10110	18.7
146.07257	3.5
147.08049	87.7
147.11719	4.0
149.09648	8.6
153.06992	4.8
154.07755	3.8
155.08577	9.8
156.09351	22.2
157.10141	41.1
159.08066	41.0
159.11696	9.7
161.09662	48.5
163.07536	11.1
163.11214	4.7
165.07069	6.3
165.13097	3.7
167.08604	4.2
168.09438	3.3
169.10152	18.6
170.10927	9.2
171.08055	15.4
171.11705	56.2
173.06071	5.3
173.09633	22.5
173.13258	5.2
175.07585	6.6
175.11238	7.5
179.10728	6.9
180.09355	4.2
181.10046	7.8
183.08058	5.2
183.11694	26.8
185.09607	17.9
185.13274	57.6
187.07571	4.2
187.11118	10.2
189.09119	6.9
189.12735	5.1
193.10136	5.5
195.11691	9.9
197.09625	12.6
197.13342	4.9
198.10345	8.5
199.11194	33.9
200.11993	3.8
201.09052	4.7
201.12721	5.6
206.10960	5.7
207.11755	4.1
209.09605	6.5
209.13168	5.9
211.11189	6.9
213.12781	56.3
215.08665	3.2
215.10680	8.9
219.11803	4.7
220.12569	4.7
221.13396	8.1
223.11169	7.8
223.14943	4.6
225.09128	5.7
225.12781	5.4
227.10655	4.9
229.12292	4.7
231.13853	9.6
233.09598	3.9
237.12843	7.8
239.10710	7.4
241.12207	9.6
244.12643	4.4
245.15433	27.3
247.11072	6.2
249.12717	5.5
251.14319	4.5
255.13808	10.2
256.12582	5.1
257.13315	5.3
259.11011	4.5
259.13245	19.8
261.12595	5.7
263.14139	5.0
269.13199	4.5
273.15009	31.3
275.14252	8.7
283.14673	3.4
285.12756	5.9
286.13690	3.5
287.14291	6.2
289.16025	4.4
291.15985	11.4
297.12656	8.9
299.14154	6.2
301.15903	5.9
303.13791	4.5
303.17331	5.2
312.15012	7.8
313.15887	4.8
314.16794	3.9
315.17514	7.6
317.18933	3.7
319.17029	3.8
326.16611	4.7
327.17508	16.6
329.15451	5.2
331.20517	5.4
341.19055	16.3
345.18445	9.4
354.16086	4.4
357.18454	5.9
359.20074	13.7
369.18405	5.5
375.19623	4.3
377.21411	4.7
387.19623	17.1
389.21286	9.4
391.22705	8.0
395.22049	3.3
401.21152	22.9
405.20313	17.8
407.22302	4.6
419.22244	37.0
437.23248	28.0
461.23361	3.9
465.22812	10.4
479.24045	10.3
497.25275	10.8
579.29059	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	597.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	25.8
55.05515	64.0
67.05501	6.7
69.03435	7.3
70.79819	4.7
70.80165	4.7
79.05482	9.6
81.03419	10.9
81.07068	7.2
83.04491	5.1
83.04983	92.8
91.05482	26.7
93.07043	10.3
95.04969	11.9
95.08585	5.1
97.06535	5.2
105.07027	23.4
107.08608	11.7
109.06529	10.4
109.10204	3.5
115.05458	13.5
117.07012	29.0
119.08578	32.7
121.06565	6.2
128.06261	11.4
129.06999	25.2
131.08562	26.4
133.06511	4.0
133.10139	27.1
135.08066	8.1
137.09587	4.3
141.07008	8.1
141.26534	4.7
142.07799	11.2
143.08562	22.9
145.06488	19.4
145.10080	17.5
147.06929	6.8
147.08051	100.0
149.09616	6.8
155.08594	10.3
156.09337	14.3
157.10132	38.3
158.07196	3.6
159.08070	47.1
159.11746	11.6
161.09630	52.4
163.07564	20.2
163.11221	5.7
165.07039	6.7
165.09108	3.7
166.07768	5.2
167.08511	4.9
168.09378	3.9
169.10138	20.4
170.10912	12.3
171.08112	18.2
171.11694	65.8
172.08749	4.2
173.06001	10.3
173.09630	26.5
173.13277	8.1
175.07541	7.4
175.11194	8.0
179.10684	8.6
180.09341	5.4
181.10167	9.5
183.08064	6.6
183.11684	29.6
184.08894	5.3
185.09624	17.9
185.13246	60.6
187.07570	5.6
187.11206	14.5
193.10118	5.9
195.11736	14.1
197.09660	10.3
197.13306	9.5
198.10385	6.3
199.11163	31.0
201.09138	6.6
201.12700	7.5
205.10222	4.0
206.10870	5.3
207.11681	6.4
209.09612	7.5
211.11139	9.0
213.09120	6.7
213.12753	73.8
215.10722	6.4
217.12167	5.1
218.10873	3.2
219.11716	3.3
221.09569	4.8
221.13228	7.8
223.11153	13.1
225.12730	3.5
227.10669	6.9
229.10193	4.3
229.12303	9.1
231.13806	10.6
233.15450	5.1
235.11182	6.4
237.12784	6.5
239.10831	4.3
241.12276	12.5
243.11609	5.2
243.13806	10.3
245.15393	28.0
249.12640	6.7
251.14418	6.0
255.13872	10.6
259.11035	6.1
259.13184	28.4
261.12680	4.4
262.13660	4.9
263.14130	3.5
270.13718	4.6
273.12396	3.3
273.14941	28.8
275.14240	5.2
279.13907	3.9
285.12756	4.6
286.13489	4.7
287.14368	4.8
289.15778	5.6
291.15994	21.7
297.12750	9.6
298.13333	5.1
299.14227	6.3
301.15921	7.7
312.15051	8.9
313.15826	8.1
315.17355	8.8
317.18970	10.3
323.16537	4.8
327.17371	20.4
329.15424	5.2
329.19199	5.9
331.20355	6.2
341.19028	14.3
345.18613	13.1
359.20071	14.7
365.42081	3.8
369.18390	11.4
375.19620	4.9
377.21210	5.6
387.19571	26.8
389.20816	5.6
391.22476	10.4
401.21027	32.4
405.20685	17.0
407.22369	5.7
409.23624	5.3
419.22171	50.0
437.23270	33.1
447.22012	4.5
465.22696	12.8
479.24155	11.0
497.25272	14.9
579.29730	5.7
597.30316	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	597.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	13.7
55.05513	65.5
59.59200	3.3
66.03899	3.6
67.05481	7.3
69.03423	8.4
69.18878	6.0
69.19097	7.4
69.19507	26.6
69.19808	4.0
79.05472	10.9
81.03399	11.7
81.07059	8.9
83.04983	100.0
91.05477	41.5
93.07034	9.5
95.04955	11.9
95.08623	7.3
97.06535	3.4
98.21518	7.9
103.05425	5.0
105.07039	24.4
107.04932	4.6
107.08575	11.5
109.06515	9.7
115.05433	12.1
117.07024	27.8
119.08582	43.3
121.06454	6.7
127.56496	3.9
128.06213	12.0
129.07033	26.4
130.07773	8.3
131.08568	31.8
133.06502	4.9
133.10110	26.8
135.08058	8.3
141.06940	5.3
142.07770	8.9
143.08556	29.0
144.05673	3.9
145.06505	26.4
145.10129	21.9
145.90718	3.6
147.08049	98.9
149.09586	8.8
155.08617	8.8
156.09398	18.5
157.10121	33.3
159.08037	41.7
159.11691	11.2
161.09605	52.6
163.07533	11.7
163.11208	5.7
165.06999	5.2
167.08397	5.2
168.09341	4.5
169.10132	16.3
170.10904	12.9
171.08041	15.7
171.11691	64.1
173.05923	7.0
173.09647	28.1
173.13211	7.9
175.07527	9.1
175.11186	5.3
179.10629	8.3
181.10121	10.2
182.10927	5.9
183.08026	6.7
183.11713	27.4
184.08858	4.6
185.09628	20.0
185.13263	61.4
187.11189	14.0
187.14803	4.3
191.10596	4.9
193.10143	11.5
194.10828	4.2
195.08255	3.7
195.11681	17.7
196.08849	4.2
197.09639	10.2
197.13188	7.8
198.10388	8.7
199.11160	36.4
201.09171	7.6
201.12759	10.7
203.14363	5.1
205.10158	5.1
205.12123	3.9
207.11691	9.3
209.09589	9.2
209.13229	5.1
211.11148	9.9
213.12758	69.6
215.10677	4.0
215.14235	5.2
217.12170	5.4
219.11713	7.6
223.11186	13.1
223.14738	4.6
225.12779	5.5
227.10652	5.6
229.12285	10.9
231.09924	4.6
231.11876	5.9
231.13838	8.8
233.13466	5.5
235.11237	5.9
235.14859	5.1
237.12663	8.9
239.10701	4.1
241.12273	8.1
243.13835	8.2
245.13490	4.3
245.15427	34.8
249.12752	8.3
251.14275	7.0
255.13902	8.9
259.10870	4.6
259.13138	19.8
261.12561	8.5
269.13318	5.2
271.11008	6.3
273.14737	18.6
274.13315	4.8
275.14255	7.1
284.15402	5.7
285.12720	4.7
286.13614	5.7
287.14117	7.0
289.15717	5.3
291.16068	20.7
297.12601	13.9
299.14285	11.5
301.15866	6.6
311.14169	4.4
312.15033	6.9
313.15765	6.6
314.16641	5.5
315.17380	10.1
317.18820	7.6
323.16437	6.5
327.17361	20.7
329.15253	5.1
331.20740	8.6
341.18912	16.0
345.18466	11.5
357.18460	6.0
359.19983	13.3
369.18552	8.8
375.19806	3.9
377.21140	8.0
387.19528	24.1
389.21112	8.9
391.22525	7.0
401.21002	24.7
405.20584	17.9
419.22159	45.0
437.23337	25.5
465.22678	13.9
479.24237	8.6
497.25122	15.5
565.28345	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	597.3062
Annotation	Salannin
Peak:m/z	Relative Intensity
53.03947	6.0
54.62954	2.4
55.01883	17.6
55.05516	43.5
55.05783	2.2
57.07074	2.5
67.05501	6.8
69.03435	9.2
69.07074	4.8
78.15951	2.1
79.05500	9.5
80.24220	1.8
81.03426	11.3
81.07068	11.3
83.04988	58.7
91.05488	30.6
93.07066	10.4
95.04988	11.4
95.08605	8.6
98.97577	2.3
103.05474	2.9
105.07038	25.2
107.04973	4.1
107.08597	9.4
109.06537	7.4
109.10169	5.8
110.95677	1.9
114.43016	1.8
115.05477	8.6
117.07052	18.2
119.04974	2.5
119.08602	30.9
121.06496	5.0
121.10171	7.6
123.08060	3.7
128.06244	7.3
129.07005	27.1
130.07851	4.4
131.04910	2.7
131.08582	19.7
133.06441	2.0
133.10136	22.6
135.08096	4.9
135.38509	2.1
137.09633	2.5
141.07008	5.1
142.07768	11.0
143.08582	23.4
145.06493	17.3
145.10143	20.8
147.08064	100.0
147.11713	5.0
149.09637	6.7
153.06966	2.4
155.08574	7.9
156.09375	11.4
157.06566	3.7
157.10155	31.5
158.07256	5.4
159.08066	32.5
159.11739	12.1
161.05949	2.2
161.09627	36.8
161.13292	2.7
163.07555	9.8
163.11229	3.3
165.06972	4.4
165.09174	2.2
166.07872	2.4
167.08592	3.6
167.10582	2.5
169.10156	13.0
170.10889	14.1
171.08093	12.7
171.11699	44.5
173.06075	5.3
173.09634	38.0
173.13298	6.9
175.07549	7.5
175.11206	4.9
179.08585	5.7
179.10701	3.6
180.09248	2.9
181.10085	4.7
183.08144	4.3
183.11703	18.1
184.08743	2.7
185.09657	16.5
185.13281	45.8
187.07573	4.9
187.11234	10.1
187.14871	3.0
189.09138	5.2
189.12808	4.6
193.10129	5.4
195.11664	11.7
196.08871	2.5
197.09650	7.0
197.13400	3.8
198.10492	4.0
199.07655	2.3
199.11205	21.4
199.14862	5.8
201.09192	4.8
201.12804	4.6
203.14357	3.5
205.12228	2.7
207.11780	5.9
209.09584	4.2
209.13284	4.6
211.11252	8.5
213.09372	2.4
213.12758	38.6
215.10724	4.0
217.12352	5.8
219.11864	5.3
219.13800	3.2
221.09694	3.0
221.13345	5.0
222.10417	3.5
223.11211	8.4
223.14819	3.5
225.12900	3.2
227.10657	3.1
229.12262	5.2
231.13884	10.0
232.12547	2.7
233.13486	3.1
235.11177	3.7
235.14922	2.3
237.12778	7.2
239.10657	3.7
241.12259	9.2
243.11635	3.2
243.13824	5.2
245.11533	2.7
245.13347	2.3
245.15401	35.2
246.10495	2.9
247.11208	2.9
249.12817	5.8
251.14287	3.6
253.12276	3.8
255.13861	5.1
259.11020	3.2
259.13074	12.1
261.12662	7.0
261.15027	4.1
263.14093	3.5
263.16617	3.8
272.11966	2.8
272.15521	2.2
273.12436	2.4
273.14938	16.6
274.13272	3.1
275.14304	6.1
285.12561	4.9
286.13422	2.6
287.14304	5.1
289.15594	3.2
291.15973	12.5
292.56015	2.3
293.15363	2.7
297.12570	4.5
298.13385	2.8
298.16974	3.0
299.14481	2.5
301.15915	5.6
303.17432	3.2
311.14310	3.5
312.15179	4.9
313.15948	4.0
315.17490	6.1
317.15610	2.3
317.19000	8.1
323.16269	3.0
326.16507	3.5
327.17468	11.6
329.15396	3.0
329.18915	2.9
331.20465	9.6
337.27475	12.2
341.19077	9.9
345.18622	9.6
347.17078	6.9
357.18546	3.3
359.20135	11.2
363.18915	2.9
369.18457	5.8
373.21616	8.4
377.21167	4.2
387.19678	15.5
389.21115	5.8
391.22769	39.0
397.91516	2.5
401.21237	15.4
405.20639	16.8
407.22031	3.1
409.23590	3.5
419.22177	31.7
437.23199	21.4
447.21817	2.6
451.24786	2.6
465.22647	7.8
479.24484	6.2
497.25409	10.2
519.26868	2.6
579.29645	3.3
597.29382	3.6
597.38611	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	597.3058
Annotation	Salannin
Peak:m/z	Relative Intensity
51.02363	2.2
53.03942	3.5
55.01660	1.9
55.01876	19.6
55.05265	3.2
55.05511	54.2
59.05685	1.7
65.03941	2.5
67.05490	5.9
69.03423	4.9
69.07057	6.1
69.33009	13.6
71.78473	1.9
72.83370	2.2
79.05485	10.4
81.03402	8.8
81.07058	9.9
83.04982	91.9
91.05478	31.2
93.07085	10.0
95.01260	2.0
95.04955	11.1
95.08591	5.5
97.06513	3.6
103.05455	4.7
105.07028	26.0
107.04954	7.9
107.08585	9.2
109.06510	8.5
109.10172	3.9
114.74388	1.8
115.03957	1.9
115.05463	12.4
116.06252	2.8
117.07014	24.4
119.08575	37.4
121.06503	6.5
121.10130	5.4
128.06212	11.1
129.07007	24.4
130.07726	2.3
131.04926	2.6
131.08557	20.6
132.05685	2.6
133.06488	4.9
133.10132	24.6
135.08044	8.7
137.09650	2.7
141.06990	7.3
142.07764	14.6
143.07645	2.5
143.08572	25.8
145.06476	19.5
145.10139	16.2
147.08044	100.0
147.11676	4.7
149.09599	6.7
155.08545	11.0
156.09343	20.7
157.06503	5.7
157.10136	42.9
159.06836	3.4
159.08069	41.5
159.11656	15.2
161.09630	44.5
161.13246	3.1
163.07533	16.0
163.11221	5.0
165.06995	6.0
165.08998	2.0
166.07706	2.6
167.08534	3.8
168.09380	4.0
169.10130	18.9
170.07281	2.0
170.10927	15.0
171.08034	13.2
171.11687	76.1
172.08887	2.5
173.06029	11.0
173.09618	23.5
173.13220	4.7
175.07539	16.7
175.11201	5.6
177.09315	2.2
179.08472	4.1
179.10683	5.6
180.09222	3.3
181.10114	10.9
182.10927	2.8
183.08127	4.8
183.11696	30.4
184.08853	3.8
185.09637	19.1
185.11586	4.3
185.13245	65.5
187.07582	4.8
187.11194	15.6
187.14766	2.1
189.09105	3.7
189.12811	2.9
191.10643	2.6
192.09370	2.3
193.10112	6.5
193.12189	1.8
194.10904	2.6
195.08070	2.3
195.11681	15.2
197.09625	10.0
197.13210	10.7
198.10364	5.5
199.07590	2.0
199.11194	29.9
200.11981	3.2
201.09076	5.2
201.12675	10.0
203.08733	2.1
203.10680	4.1
203.14297	2.3
205.10281	2.1
205.12231	3.3
206.10976	3.4
207.08054	2.1
207.11739	7.2
208.12589	2.3
209.09637	6.6
209.13316	3.4
211.11191	10.0
213.09146	4.6
213.12729	58.0
215.10693	4.4
215.14305	3.3
217.10327	2.8
217.12260	7.8
219.11775	3.4
220.12508	4.1
221.09668	3.1
221.13292	4.6
222.10333	2.9
223.11209	8.0
223.14810	4.0
225.09132	4.2
225.12726	4.7
227.10706	4.9
229.10217	3.9
229.12263	11.5
230.10945	3.1
231.10031	4.4
231.13718	17.0
233.09564	3.0
233.13364	4.3
234.10385	2.9
235.11142	3.6
237.12817	9.3
239.10641	3.3
241.12180	13.8
243.13860	7.2
244.12393	4.2
245.13181	4.6
245.15359	38.1
247.11172	3.2
248.30582	2.0
249.12721	4.2
251.14308	4.5
255.11601	2.7
255.13905	10.0
258.14014	2.9
259.10873	3.9
259.13162	22.3
261.12613	4.4
261.15002	4.6
263.14215	4.6
263.16537	7.0
269.13235	6.0
270.13928	3.6
271.10999	2.5
272.11969	2.7
273.12479	3.8
273.14874	30.0
275.14304	5.5
283.11093	4.7
283.14694	3.1
285.12830	3.3
285.16302	3.7
286.13580	2.4
287.14288	5.3
289.15802	4.4
291.15991	19.6
297.12735	8.3
298.13370	2.2
299.14322	5.9
299.18094	3.3
301.15784	6.0
302.16611	2.8
303.13855	2.9
303.17395	3.9
311.14078	5.9
312.14856	5.1
313.12534	2.5
313.15921	6.9
314.13071	2.1
314.16608	2.4
315.17346	5.7
317.18988	7.0
323.16434	4.1
326.16843	3.0
327.13904	3.5
327.17361	18.8
329.15363	4.5
329.18893	4.8
331.20367	3.7
333.18460	2.6
341.18927	16.3
345.18552	12.1
354.16183	2.1
357.18457	5.7
359.20032	15.7
363.19766	2.4
369.18561	9.7
377.21069	4.7
387.19568	24.9
389.21109	5.4
391.22604	11.1
401.21149	26.6
405.20557	16.3
407.22122	2.6
419.22165	50.5
437.23288	32.4
465.22525	8.2
479.24380	10.5
497.25632	11.6
565.27881	4.9
579.28912	6.3
597.29755	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
54.41130	3.8
55.01870	15.6
55.05516	49.1
64.51739	4.1
67.05492	5.5
69.03426	6.6
79.05494	7.5
81.03448	11.1
81.07047	8.2
83.04984	100.0
83.09637	4.0
91.05495	38.9
93.07050	13.5
95.04952	13.3
95.08635	4.6
98.21524	9.8
105.07029	22.7
107.04955	7.8
107.08592	9.9
109.06561	7.9
115.05463	12.6
117.07047	18.0
119.08598	37.3
121.06502	5.1
128.06238	9.4
129.07021	29.1
131.08580	24.2
133.06517	5.8
133.10196	24.0
135.08086	7.5
139.57245	5.0
142.07790	8.3
143.08546	21.8
145.06493	19.6
145.10162	21.8
147.08049	99.0
147.11627	3.9
149.09601	6.2
155.08621	10.9
156.09314	20.9
156.75795	4.3
157.10156	33.3
159.08096	41.9
159.11728	11.9
161.09624	49.6
163.07597	17.5
163.11220	4.8
165.07024	8.5
166.24437	4.6
167.08684	4.1
169.10190	15.6
170.10907	10.5
171.08064	13.8
171.11681	47.2
173.09624	25.4
173.13324	7.3
175.07570	14.2
179.08543	6.5
179.10753	7.8
181.10075	9.0
183.11678	26.1
184.08870	5.6
185.09642	15.0
185.13266	52.7
187.11252	9.4
191.10698	5.4
192.09247	4.6
193.10170	4.6
195.11707	13.4
197.09605	11.8
197.13203	5.1
199.11201	30.9
201.09236	6.9
201.12761	7.6
205.10184	6.0
207.11713	5.4
211.11047	7.7
213.12758	47.9
213.84421	5.6
215.10815	6.0
223.11174	11.3
229.12149	5.6
231.13834	10.4
237.12816	5.4
241.12283	12.0
245.15396	38.0
248.11948	5.1
249.12779	5.7
255.14011	6.0
259.13220	22.9
263.14294	6.3
270.13657	5.8
273.14847	22.4
283.14871	6.9
291.15958	21.9
297.12619	6.0
301.15659	5.6
312.15164	9.8
313.15741	5.3
315.17361	5.6
317.19073	7.6
323.16437	5.8
327.17508	18.6
330.15619	5.1
341.19119	13.9
345.18506	17.6
359.20151	13.0
369.18488	7.8
373.26907	4.2
377.20923	6.2
387.19644	19.9
389.21103	9.7
391.22681	13.3
401.21118	25.4
405.20615	16.0
407.21991	4.4
419.22205	48.0
437.23303	33.7
465.22772	14.2
479.24182	12.3
497.25183	14.0
579.28912	10.1
619.48303	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	597.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.6
55.01878	20.4
55.05513	62.6
63.91377	1.2
65.03928	1.6
67.05498	6.2
69.03439	6.4
69.07065	5.5
79.05501	11.5
81.03419	12.9
81.07070	11.1
83.04985	100.0
90.05776	1.5
91.05485	33.8
93.07059	12.8
95.04975	16.5
95.08610	7.5
97.06531	4.9
98.21508	3.1
103.05482	9.1
105.07033	29.0
107.04958	8.3
107.08606	12.4
109.06531	9.4
109.10198	3.4
111.08109	1.7
115.05453	13.7
115.07552	1.5
116.06258	4.1
117.07021	22.9
119.04954	3.0
119.08583	39.4
121.06504	8.7
121.10174	8.1
123.08067	3.3
128.06236	11.1
129.07010	23.7
130.07831	3.3
131.04932	18.9
131.08577	26.6
133.06474	5.7
133.10141	26.5
135.08044	8.1
137.09615	2.6
141.07001	6.2
142.07803	13.3
143.08560	30.2
145.06488	20.5
145.10141	18.8
146.07277	2.2
147.08051	89.5
147.11708	2.5
149.09616	9.0
151.11235	1.9
153.06996	5.8
154.07762	2.1
155.06049	2.1
155.08566	9.5
156.09352	17.0
157.06538	2.6
157.10141	41.6
158.07285	4.1
159.08064	37.8
159.11682	11.9
160.61635	1.3
161.06018	2.3
161.09636	53.6
161.13330	2.5
163.07549	13.9
163.11183	4.5
165.07022	6.1
165.09149	2.8
166.07808	3.6
167.08571	4.3
168.09334	3.9
169.10158	16.6
170.10896	12.8
171.08076	19.0
171.11687	62.3
172.08824	2.6
173.06017	7.9
173.09625	22.6
173.13252	6.1
175.07530	13.5
175.11214	4.9
177.09123	1.5
178.07721	2.7
179.08569	4.0
179.10698	7.2
180.09390	6.0
181.06406	1.7
181.10164	10.5
181.11540	1.4
182.10896	3.5
183.08116	7.1
183.11681	26.7
184.08839	4.7
185.05957	1.8
185.09654	21.1
185.13261	51.6
186.10413	1.9
187.07555	5.4
187.11197	12.5
187.14864	2.8
189.09137	3.8
189.12799	2.6
191.08583	1.8
191.10695	2.3
192.09303	2.5
193.10110	8.9
194.10934	3.4
195.08076	3.0
195.11699	15.9
196.08891	2.7
197.09651	12.1
197.13292	9.9
198.10437	7.4
199.07649	3.8
199.11191	32.1
200.11957	3.0
201.09113	6.1
201.12798	7.5
203.08646	3.0
203.10664	4.2
203.14354	2.8
204.09370	1.9
205.10210	3.5
205.12288	4.2
206.10913	3.6
207.08118	1.9
207.11688	7.8
208.08803	2.8
208.12506	2.6
209.09596	6.9
209.13268	6.3
210.10324	1.5
211.11139	11.3
213.09323	3.8
213.12752	59.5
215.08662	2.9
215.10696	5.5
215.14265	3.0
216.09370	1.6
217.10106	5.9
217.12267	6.3
218.10930	2.2
219.11728	5.0
219.13664	1.9
220.12439	2.3
221.13245	5.6
222.10442	2.3
223.11200	13.3
223.14835	3.1
225.12741	4.5
227.10712	4.5
228.09378	1.4
229.10146	3.5
229.12262	8.5
230.10875	3.3
231.08211	1.7
231.09996	3.2
231.11794	3.9
231.13777	14.3
232.08797	2.8
232.12466	3.6
233.09604	3.6
233.13257	6.0
233.15340	2.4
234.10483	3.1
234.14047	1.9
235.11168	4.1
235.14880	4.6
237.12743	10.0
239.08530	2.3
239.10699	5.6
241.10114	2.4
241.12193	8.9
242.10954	2.1
242.98627	1.6
243.11647	5.9
243.13834	7.0
244.12503	4.7
245.09633	2.8
245.13225	4.4
245.15393	25.9
246.10397	3.7
246.14020	2.8
247.11134	3.8
247.13152	2.7
247.15092	2.3
248.11926	3.0
249.12755	6.1
250.13626	2.3
251.14485	3.4
253.10173	1.7
254.10805	1.4
255.11786	3.1
255.13829	8.3
256.12387	1.4
257.13425	3.2
257.15536	2.8
258.10449	1.8
258.14026	2.9
259.11017	3.8
259.13205	20.7
260.12054	4.1
261.12793	6.0
262.13571	2.7
263.14261	5.3
263.16565	4.4
265.12296	3.4
267.11646	1.9
269.13214	5.3
270.14114	3.2
271.11121	3.5
271.14841	3.1
272.12018	3.4
273.12592	4.1
273.14914	22.4
274.13525	2.4
275.10876	2.2
275.14301	9.6
277.12234	3.1
277.15988	3.0
279.11380	1.4
283.11151	2.7
283.14832	4.7
284.12079	2.3
284.15646	4.1
285.12711	5.2
285.16074	2.5
286.13528	4.0
287.11075	2.5
287.14285	10.2
288.15146	2.6
289.16040	6.9
291.16028	18.9
295.17151	2.1
296.11987	2.1
297.12543	9.4
297.15186	1.2
298.13516	5.3
298.16800	1.9
299.14261	7.9
299.17523	2.7
300.14984	3.6
301.15817	5.5
302.16513	2.5
303.13803	3.8
303.17471	5.8
311.14291	4.7
312.15051	6.7
313.12479	2.7
313.15842	10.2
313.19250	2.2
314.13055	2.3
314.16519	3.2
315.13995	2.3
315.17349	8.1
317.15344	3.5
317.19022	8.6
323.16748	2.6
326.16599	4.1
327.13956	2.8
327.17422	19.0
328.18268	3.8
329.15259	5.5
329.19052	5.8
330.16068	1.6
331.16910	4.3
331.20648	4.0
333.17883	1.8
339.13654	1.9
340.14111	1.8
341.15588	1.3
341.19092	14.6
342.16129	2.0
343.16971	3.4
343.20578	4.0
345.18466	13.2
353.18896	3.6
354.16083	3.0
357.18478	6.1
359.20126	12.7
361.17685	2.2
363.19336	2.9
369.18460	13.4
371.20343	6.5
373.17673	1.7
375.19666	3.4
377.21179	4.4
387.19562	23.5
389.21329	9.9
391.22894	7.8
401.21182	23.8
405.20621	17.8
407.22018	4.3
409.23935	2.0
419.22256	37.6
437.23291	25.6
447.21548	1.6
449.23318	1.6
461.23264	4.1
465.22772	13.1
479.24573	11.4
483.23950	1.8
497.25592	12.3
501.25613	1.5
529.69604	1.5
537.25012	2.9
565.27844	2.5
579.29541	3.4
597.28461	30.0
600.69305	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.1
55.01879	17.5
55.05510	54.3
58.06626	3.4
62.66535	3.2
67.05493	8.5
69.03423	9.0
69.07069	7.8
69.27020	29.2
79.05488	12.1
81.03413	13.9
81.07040	8.0
83.04987	73.1
91.05493	35.8
93.07034	14.4
95.04965	15.6
95.08636	7.7
97.06548	5.5
105.07042	30.3
105.86593	3.6
107.04926	5.5
107.08592	10.0
109.06534	8.6
109.10195	3.3
115.05449	11.9
116.06249	3.9
117.07047	22.1
119.08597	31.5
121.06494	4.2
121.10145	6.6
128.06200	14.1
129.07021	28.3
130.07843	5.0
131.08563	25.4
133.06534	5.3
133.10150	24.4
135.08057	5.6
137.06171	3.6
138.68614	3.3
141.07024	7.8
142.07764	8.7
143.08551	30.7
144.09303	3.7
145.06519	21.4
145.10159	20.1
147.08046	100.0
147.11664	5.0
148.36958	3.5
149.09654	7.5
153.06995	3.8
155.08591	13.1
156.09354	15.4
157.06561	4.6
157.10132	43.7
158.07301	4.8
159.08047	47.8
159.11702	13.8
161.09627	51.7
163.07553	12.9
163.11121	6.9
165.06984	6.3
167.08618	4.2
167.10628	4.2
169.10146	23.0
170.10910	9.1
171.08025	13.5
171.11700	57.4
173.05989	7.7
173.09645	29.5
173.13225	8.6
175.07559	12.9
175.11165	8.5
179.10655	6.3
180.09334	4.2
181.10143	9.7
183.08066	6.4
183.11736	26.5
185.06062	3.4
185.09589	23.3
185.13252	48.0
187.07578	4.8
187.11206	13.0
189.09081	5.8
195.11728	11.0
196.08865	4.1
197.09628	12.7
197.13278	8.7
198.10339	6.0
199.11223	32.3
201.09102	6.4
201.12883	8.1
203.08539	3.6
205.12025	3.3
207.11707	9.0
209.09676	6.7
211.11183	9.2
213.09093	4.6
213.12755	51.8
217.10109	3.7
221.13264	5.2
223.11189	10.6
225.12749	5.3
227.10645	5.3
229.12248	13.3
231.11790	5.9
231.13837	11.0
233.09679	5.2
235.14856	4.6
237.12766	5.6
241.12219	11.4
243.11655	4.4
243.13986	7.2
245.13316	4.7
245.15384	30.5
247.11143	5.4
249.12758	5.3
251.14265	4.4
255.13876	9.1
259.13242	21.2
261.12708	6.8
263.14252	4.8
263.16556	6.8
271.11041	5.0
271.14395	3.5
272.11969	4.2
273.14874	26.4
277.12091	3.7
286.13678	3.6
287.14346	8.5
291.16064	19.1
297.12823	7.2
299.14230	4.7
301.15915	8.1
311.14215	6.1
312.14926	4.4
313.15811	5.0
315.17368	13.0
315.21024	4.3
317.18796	7.1
323.16312	6.5
327.13977	5.0
327.17361	17.1
329.15390	4.8
329.19086	9.4
331.20517	4.4
337.27466	7.4
341.18863	12.9
345.18463	10.6
357.18317	3.6
359.20132	14.1
361.17892	4.8
369.18417	5.9
375.19522	7.1
377.20874	7.6
387.19543	14.1
389.20990	9.9
391.22559	7.5
401.20990	20.3
405.20557	15.1
407.22137	9.7
419.22278	47.3
435.21631	6.3
437.23151	28.4
465.22604	10.1
479.24054	6.3
497.25024	10.3
504.77390	4.0
565.27948	5.3
579.29431	6.9
597.27087	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	597.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.0
55.01855	2.9
55.05513	61.9
65.03938	2.4
67.05494	6.2
69.03439	10.4
69.07065	3.1
71.56089	2.6
79.05504	10.6
81.03426	3.7
81.07051	7.7
83.04985	100.0
91.05479	24.1
93.07050	12.8
95.04968	10.3
95.08604	4.4
97.06521	2.8
101.02356	2.2
103.05473	5.3
105.03400	4.2
105.07034	27.1
106.57992	1.9
107.04971	4.3
107.08591	7.5
109.02863	2.8
109.06511	7.1
109.10167	3.9
111.04395	2.1
113.02660	1.9
115.05453	7.2
116.06264	3.8
117.06991	10.7
119.04916	2.9
119.07792	2.4
119.08591	24.2
121.06501	5.9
121.10142	4.2
123.04440	2.2
123.08067	4.2
125.05962	2.0
128.06232	8.5
129.07027	10.8
130.07773	3.4
131.04922	6.5
131.08580	18.1
133.06494	11.6
133.10117	14.7
135.04439	2.8
135.08070	7.0
137.02353	2.8
137.09593	2.7
141.06981	6.0
142.07762	6.6
143.04982	2.4
143.08578	18.4
145.06480	9.0
145.10161	14.3
147.04427	2.7
147.08057	14.2
149.05981	5.2
149.09624	5.9
153.07007	5.6
153.27968	1.9
154.07745	3.0
155.06241	2.0
155.08583	10.3
156.09364	9.5
157.06503	5.8
157.10136	18.3
158.07321	2.6
159.04433	2.8
159.08072	15.9
159.11688	8.4
161.06010	15.2
161.09613	12.8
163.07549	6.6
163.11217	1.9
165.06960	5.4
165.09195	2.3
166.07751	2.2
167.08562	4.9
168.09349	5.1
169.10109	16.6
170.10863	5.5
171.08089	11.9
171.11696	24.8
172.08713	2.4
173.06009	5.5
173.09610	25.5
175.07562	8.1
175.11182	4.4
177.05452	4.6
177.09126	8.4
178.07707	3.0
179.07063	2.1
179.08543	5.4
180.09286	4.3
181.10100	7.4
182.07306	1.9
182.10869	2.3
183.08081	8.4
183.11713	23.9
184.08846	5.8
185.09621	14.9
185.13260	16.2
187.07541	5.4
187.11229	8.5
189.05424	3.2
189.09113	4.8
191.10713	2.8
192.09360	3.8
193.10207	8.8
193.11790	2.0
194.10847	4.3
195.08008	2.5
195.11745	9.5
196.08847	3.0
197.09657	14.3
197.13289	5.7
198.10350	5.3
199.07527	5.7
199.11176	19.5
200.11969	4.1
201.09108	16.3
201.12775	4.4
203.06944	2.4
203.08687	3.4
203.10703	4.4
205.10139	4.5
206.10899	4.8
207.11708	8.5
208.08894	2.3
208.12485	3.1
209.09608	8.5
209.13297	3.5
210.10513	2.3
211.07541	5.1
211.11165	7.9
213.09129	5.0
213.12712	16.5
215.08598	3.8
215.10651	4.5
216.09355	2.6
217.08527	5.0
217.10176	5.0
217.12119	3.1
218.10838	3.0
219.09991	3.4
219.11804	4.2
220.12532	3.3
221.09636	5.6
221.13277	6.1
222.10341	3.4
222.13835	2.0
223.11212	8.3
225.09161	3.3
225.12712	6.1
227.10562	5.0
229.10210	2.9
229.12219	4.9
230.10962	3.2
231.09953	4.4
231.11771	4.9
231.13721	3.5
232.12468	4.5
233.09602	3.6
233.13252	7.4
234.10298	2.2
235.07635	2.1
235.11180	6.7
235.14766	5.8
236.11873	3.1
237.09087	3.1
237.12682	4.8
239.10629	4.8
239.14247	3.0
241.10170	2.3
241.12297	8.7
243.11679	6.0
243.13853	4.5
244.12637	3.3
245.07999	4.0
245.13226	5.8
245.15381	4.3
246.10388	3.6
246.14015	3.5
247.11176	5.2
247.14804	3.9
249.12659	5.1
251.10635	2.8
251.14287	4.4
253.09991	3.0
253.12286	3.5
254.10977	2.5
255.11720	5.0
256.12616	3.8
257.13428	3.7
258.13913	2.8
259.11069	4.4
259.14902	5.6
260.11945	3.9
261.12906	4.3
261.16357	3.0
263.14346	6.2
265.12106	2.4
267.11649	3.0
269.13196	7.6
270.10526	2.1
271.14877	4.9
272.11768	3.2
273.12671	7.1
275.10632	3.2
275.14291	6.2
275.17780	2.2
277.12122	3.9
279.10074	3.6
279.13824	2.5
281.11816	3.2
281.15457	5.1
283.11163	3.1
283.14709	2.9
284.11862	2.8
284.15640	2.4
285.12903	2.8
285.16345	5.4
287.14218	5.6
287.17758	3.1
288.15057	2.7
289.12149	5.3
289.15561	4.0
291.13690	3.7
293.11597	2.5
297.12677	6.4
298.13400	2.9
299.14276	4.5
299.17673	2.8
301.12189	3.2
301.15790	4.4
303.13815	5.0
303.17245	2.8
307.13235	2.4
307.16855	1.9
312.15042	4.0
313.15753	4.7
315.13922	4.9
315.17377	2.7
316.14703	2.6
317.11673	2.6
317.15311	5.1
319.13159	2.9
319.16876	2.9
325.12170	2.0
327.17398	4.6
329.15414	4.2
331.13379	3.3
331.16791	10.6
333.14743	4.4
335.12579	5.5
335.16306	2.6
340.14481	2.5
341.14737	1.8
341.18146	8.9
343.13138	2.0
343.16953	5.3
345.15036	4.3
345.18506	10.7
347.16299	4.5
349.18124	5.2
351.11917	2.9
355.16760	7.1
359.12463	2.7
359.16379	18.4
361.14175	3.2
363.19687	2.6
371.16360	4.5
373.13931	2.7
373.18036	23.3
375.15604	3.6
375.19876	2.4
377.12927	3.1
377.17465	42.6
383.16653	9.5
389.17490	9.6
391.18976	16.0
401.17441	27.6
405.20724	2.9
409.19971	2.7
415.18909	2.8
419.18503	84.6
433.20221	10.0
437.19431	26.0
451.21167	6.6
455.20584	3.4
461.19339	2.1
479.20529	18.4
497.21609	12.8
514.03979	2.1
519.23596	17.5
537.24939	15.5
538.86096	2.4
579.25934	5.5
597.26782	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	597.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.6
53.03933	2.3
54.02370	1.3
55.01860	4.0
55.05513	13.6
57.03425	1.5
57.10854	1.5
65.03930	2.7
67.05505	6.8
69.03432	55.4
69.07058	5.4
70.33925	1.5
77.03945	1.6
79.05496	13.8
81.03417	2.1
81.07056	9.0
83.04971	17.0
85.06515	1.6
85.40108	1.5
91.05482	35.5
93.07061	17.0
95.04972	6.0
95.08604	14.1
97.06577	1.9
98.21538	2.7
100.53046	1.5
103.05469	7.6
105.03429	1.5
105.07037	38.8
107.04978	5.3
107.08599	12.4
109.06496	3.5
109.10122	2.6
115.05474	10.7
116.06248	5.3
117.07016	21.5
118.56487	1.5
119.04970	5.2
119.08582	36.8
120.57903	1.3
121.06548	5.2
121.10132	7.8
123.08119	2.2
128.06229	12.8
129.07007	16.2
130.04492	1.7
130.07800	5.7
131.04919	10.2
131.07591	2.2
131.08572	41.2
131.09515	2.8
132.42934	1.4
133.06485	15.7
133.10144	22.1
135.04419	1.5
135.08075	11.1
135.11665	1.6
137.09624	1.9
141.07027	5.6
142.07802	14.7
143.04839	2.1
143.08557	22.6
144.09340	2.1
145.06505	10.6
145.10123	32.7
147.08047	22.3
147.09087	2.3
147.11711	3.8
149.02319	1.6
149.05975	3.1
149.09625	20.1
151.07538	3.0
153.07028	3.2
154.07782	2.4
155.08566	12.1
155.20027	1.4
156.09361	14.8
157.06508	6.4
157.10126	43.5
158.07301	2.1
159.08089	16.1
159.11711	6.3
161.05994	23.9
161.09605	9.0
163.07613	3.0
163.11191	14.5
165.07008	6.3
165.09116	3.9
166.07805	1.7
167.08582	5.8
168.09311	3.6
169.10114	17.5
170.10912	12.8
171.08063	22.4
171.09402	2.6
171.11688	69.7
171.13153	3.4
173.06017	1.9
173.09619	28.9
173.13303	4.2
175.07549	25.9
175.11191	4.1
177.05482	2.1
177.09071	9.9
178.07866	2.2
179.07054	11.4
179.08559	3.4
180.09366	4.1
181.10092	10.1
182.10944	2.2
183.08092	8.3
183.11707	34.7
184.08856	4.5
184.12469	3.6
185.09641	16.4
185.13261	36.0
187.07555	5.6
187.11227	6.6
189.05560	3.4
189.09103	3.6
189.12759	2.0
191.06993	2.1
191.10696	3.4
192.09396	3.9
193.08612	11.4
193.10190	6.0
194.10963	2.9
195.08069	3.9
195.11691	13.8
196.08792	4.4
196.12433	2.3
197.09634	13.3
197.13243	9.1
198.10422	8.6
199.07576	5.4
199.11182	27.4
200.11996	4.4
201.09085	7.7
201.12779	6.5
203.08694	2.0
203.10640	3.5
204.09584	1.8
205.08472	2.5
205.10324	3.0
205.12262	7.3
206.10931	4.2
207.11739	12.2
208.12541	3.5
209.09634	5.6
209.13377	8.6
210.10391	1.4
211.07539	1.8
211.11200	29.5
211.14906	3.2
213.09319	4.0
213.12755	67.6
215.08728	2.6
215.10735	5.7
215.14371	3.0
216.09193	3.5
217.08441	2.8
217.10162	6.3
217.12083	2.4
218.10899	3.1
219.08122	1.7
219.09888	1.8
219.11841	7.6
220.12560	5.7
221.09644	2.4
221.13321	12.6
222.10480	2.6
223.11137	7.0
223.14827	4.2
224.12016	2.4
225.12747	4.7
227.07039	2.3
227.14247	2.0
228.09216	2.0
229.10115	5.1
229.12282	6.9
230.10933	6.8
231.09868	2.7
231.11731	6.0
231.13858	7.6
232.12520	6.8
233.09715	1.9
233.13457	9.5
234.10460	2.4
234.14082	12.5
235.11250	3.6
235.14827	5.2
236.11902	2.3
237.09091	1.9
237.12807	10.7
237.16415	2.4
239.10817	2.5
239.14330	2.8
241.12219	4.2
242.10878	2.6
243.12077	9.7
243.13640	10.3
244.12508	6.4
244.14757	1.8
245.13252	7.8
245.15477	12.5
246.10347	2.9
246.14105	6.7
247.11172	6.0
247.14948	13.2
248.12013	4.5
248.15614	6.0
249.12798	6.7
249.16400	13.2
251.14319	5.3
251.17854	1.7
253.12341	1.8
255.11699	4.8
255.14018	3.2
256.12485	4.5
257.13501	10.9
258.14108	16.0
259.11093	2.8
259.15057	14.4
260.11923	2.6
260.15564	4.3
261.12814	9.0
261.16452	8.9
262.13510	4.7
263.14417	5.3
263.17938	4.0
265.12250	2.0
265.15982	2.0
269.13382	4.4
270.10889	1.7
270.14008	7.0
271.10870	2.6
271.14774	8.9
272.12198	2.5
272.15561	6.7
273.12024	3.0
273.14917	13.9
273.16504	12.2
274.13467	3.5
275.10666	2.4
275.14249	6.8
275.17630	7.2
276.15131	3.5
277.12503	3.0
277.15918	9.0
277.19012	1.6
279.14093	1.7
282.14105	2.6
283.11038	2.5
283.14716	2.9
284.11975	2.4
284.15460	2.9
285.12799	5.2
285.16422	14.9
286.13721	3.6
286.17282	2.2
287.14331	5.1
287.17987	9.8
288.15204	1.9
289.11905	2.5
289.15692	5.1
289.19354	2.7
290.16663	2.3
291.14218	2.5
291.17474	9.0
293.15347	2.2
295.14532	2.3
296.15857	1.8
297.12915	3.3
297.16364	4.6
298.13580	3.8
299.14398	6.6
299.18057	4.7
300.15070	4.0
301.12405	2.5
301.15836	8.5
301.19366	3.3
302.16565	2.3
303.13812	4.5
303.17477	10.8
305.15500	2.6
305.18979	3.0
307.13443	2.0
307.17044	3.6
307.20572	2.2
311.18082	2.5
312.15002	3.4
313.12668	2.3
313.15756	9.8
315.13907	2.9
315.17468	9.1
316.14578	3.7
317.15314	4.9
317.19040	4.0
319.13486	2.6
319.16833	8.7
321.18478	3.4
325.12112	1.8
326.13416	2.3
327.17416	8.5
329.15173	6.5
329.19180	6.6
331.16913	40.8
332.17398	2.5
333.18558	4.6
335.16486	3.6
340.14725	2.4
341.15283	4.9
343.16879	4.5
345.18506	20.7
347.16522	3.8
347.20084	4.5
349.18066	11.6
351.19516	4.1
355.16971	9.5
357.18744	2.6
358.15912	1.9
359.16452	13.1
359.19675	2.7
361.18027	2.9
363.19730	5.3
373.18005	33.1
375.19510	4.9
377.17236	10.0
377.24988	2.7
383.16287	4.8
387.19519	6.1
389.21591	3.6
391.19025	19.1
401.17603	15.4
405.20657	21.5
409.20209	2.8
411.21677	18.2
415.18948	6.4
419.18478	12.1
423.21930	8.4
433.20142	28.3
435.21652	5.0
435.27200	2.6
437.19183	3.7
445.20117	4.2
446.45279	1.9
449.22955	1.9
451.21222	25.7
459.21518	2.4
461.19150	1.8
463.21124	4.6
465.22769	45.0
477.22894	4.3
487.21170	2.4
493.22147	15.8
505.22070	5.2
509.25391	6.4
511.23492	15.1
519.23419	7.7
537.24841	36.3
555.26093	2.1
597.26953	100.0
612.82056	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01889	0.9
56.96574	0.6
57.03439	0.5
57.98802	1.1
58.99588	11.9
61.02912	0.7
67.05515	0.9
69.03432	1.7
69.07070	1.9
69.40331	3.1
76.02232	55.9
76.03985	2.1
79.05499	3.5
81.03428	0.9
85.02908	4.7
85.35078	0.4
86.99055	3.0
87.04488	0.9
87.56397	0.4
87.56960	0.4
88.02209	1.3
88.03985	0.7
97.02914	2.2
97.06536	55.9
98.97583	3.0
99.04452	0.4
103.03935	0.5
112.99146	0.7
116.01682	16.8
116.98590	0.7
123.04465	0.6
125.06020	2.0
127.03912	1.8
128.98647	1.0
137.05960	0.6
143.00174	0.5
143.07027	1.1
144.01157	11.1
144.97981	0.4
145.05049	0.7
147.04376	1.0
151.03937	1.4
153.05563	0.4
154.06853	0.5
158.99625	0.8
161.01184	0.5
161.08078	1.3
162.02211	35.9
167.06999	0.5
170.99675	0.7
177.00690	0.4
179.04860	100.0
180.19060	0.4
181.04930	1.7
188.53496	0.4
190.04883	0.6
195.06575	0.5
201.00740	0.8
219.01765	2.9
233.04520	0.5
237.02806	2.7
254.33078	0.4
257.09482	1.3
269.40427	0.4
273.08209	0.5
275.07782	0.7
275.10629	11.2
282.09784	0.5
283.10144	0.5
289.05966	0.8
319.07010	2.8
337.08057	1.2
342.10767	2.7
342.14352	0.4
342.60858	0.5
345.11075	0.7
345.70447	0.5
360.10764	0.5
412.12924	0.5
435.63400	0.7
436.12152	1.6
597.19861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1818
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.01855	6.6
57.03426	5.1
67.11052	2.5
69.03426	4.7
69.57744	6.6
69.58170	13.2
70.06558	3.5
79.05492	3.8
81.03414	7.8
84.79562	2.6
85.02914	23.7
86.09740	3.8
91.05479	6.5
93.03411	13.8
93.07027	3.2
95.01383	3.9
95.04971	6.9
97.02905	14.5
103.05449	3.5
105.07056	4.6
106.54895	2.8
107.04961	21.1
107.40285	2.7
109.02881	12.6
111.04461	5.1
119.04935	9.0
121.02872	21.8
121.06519	7.0
123.04422	8.6
131.04930	5.6
133.02870	3.1
133.06500	5.5
133.10182	3.3
135.04416	23.7
139.03928	5.3
143.99760	2.8
147.04434	33.2
147.08054	3.4
149.02319	5.4
149.05960	4.1
151.03920	7.0
153.01848	6.7
157.06528	3.1
159.04359	6.4
161.02325	4.4
161.06024	8.4
163.03920	11.3
165.01834	12.8
167.03368	3.0
171.04457	5.0
171.54915	3.2
173.02322	5.0
173.05885	6.6
175.00311	4.5
175.03984	4.2
175.07474	5.2
176.47017	2.9
177.01874	26.6
177.05467	16.7
179.03452	3.3
181.04999	4.5
183.02823	3.8
185.05971	3.9
187.03917	9.4
189.01857	26.9
189.05331	4.4
191.03407	19.9
195.02887	30.8
199.03876	3.6
201.01831	6.5
201.05531	14.9
203.03456	15.6
204.17815	3.0
205.01294	10.1
205.05077	2.8
207.02908	57.6
209.29268	2.8
211.03967	3.3
213.05501	4.8
215.03346	13.0
217.04976	5.3
219.02925	90.3
221.00851	4.7
221.04391	3.7
223.02367	10.4
225.03905	14.3
227.03343	6.9
229.05008	18.6
231.02904	56.6
233.04448	24.2
237.04030	22.0
239.03517	4.0
241.05061	3.5
243.02931	32.7
243.06570	6.2
245.04491	6.5
249.04025	14.5
255.02911	12.2
257.04407	21.1
259.02280	5.1
259.11887	4.6
261.03955	100.0
269.04401	11.6
271.02441	3.3
271.05969	9.4
273.03931	48.9
281.04596	4.6
285.03992	48.8
285.07263	4.6
291.05029	25.1
297.04446	18.7
297.07535	18.3
299.05475	10.9
303.05106	34.1
306.04816	2.9
309.03928	5.8
309.07620	7.0
313.06900	3.9
315.04898	7.7
315.08432	3.6
321.06070	19.2
325.07184	3.6
327.04977	45.0
327.08682	23.4
339.08130	34.2
345.06064	12.2
351.04797	3.9
351.08633	22.8
357.06003	9.6
357.09644	8.2
363.07242	33.9
369.06219	6.0
375.07098	6.3
381.09772	35.9
387.07242	11.4
393.09531	34.0
405.08624	40.3
409.09082	3.4
411.10938	13.6
417.10031	8.5
423.10355	20.7
427.10364	5.4
429.11893	45.8
441.11194	40.5
447.10895	30.9
459.12903	35.4
465.11734	12.6
477.11743	7.0
483.12869	16.6
489.11670	3.8
495.13022	17.1
507.12650	9.6
516.46704	3.3
525.13824	16.7
543.15094	17.7
586.85217	3.2
597.13800	3.7
597.24854	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	596.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
53.98725	0.9
55.01864	1.0
55.05513	14.0
57.03443	6.1
57.07069	3.5
59.04987	1.3
59.33093	1.1
60.05653	1.6
61.89534	1.0
65.03933	2.2
67.05508	61.8
69.03418	1.1
69.07067	11.1
69.22568	11.3
71.04991	15.3
79.05496	35.2
79.05963	1.7
81.07059	84.5
83.04977	3.2
83.08608	7.1
85.06548	6.0
91.05483	24.8
93.07047	37.6
94.67702	1.1
95.04962	3.9
95.08610	28.0
97.06524	3.7
97.10180	2.9
105.07035	15.1
107.08605	20.2
109.06511	2.0
109.10155	11.8
111.08083	2.2
117.07002	5.0
118.07353	1.1
119.08583	8.1
119.63554	1.0
121.10152	14.3
123.08066	1.5
123.11700	12.6
131.08565	8.3
133.10132	14.3
135.11708	8.3
145.10124	4.9
147.11661	2.6
149.13234	5.7
151.11180	4.7
159.11708	4.9
161.13283	3.2
169.12254	1.2
177.12766	1.8
183.13914	2.2
187.13229	3.0
195.13672	1.9
211.82748	1.1
223.27507	1.0
227.16412	1.6
257.17358	3.1
261.22336	1.3
263.74933	1.0
269.17465	3.4
301.20071	14.0
311.29291	1.6
312.32660	1.3
335.25827	32.2
335.29865	1.6
396.60028	1.3
485.36267	1.9
503.37314	100.0
504.37704	2.1
517.38953	4.0
529.38379	6.0
531.11774	1.1
561.41498	49.2
596.28418	3.7
596.46356	3.3
596.59845	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	596.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56557	0.6
53.03946	2.8
55.01869	2.3
55.05513	2.2
56.05033	3.2
57.03444	3.6
60.04528	91.0
61.02920	2.7
62.06099	1.5
65.64247	0.7
67.05508	10.4
68.05042	0.9
68.99783	0.9
69.03432	9.9
69.07066	3.1
70.06602	1.5
70.89578	1.5
71.04994	7.7
72.04524	3.4
72.05331	0.8
73.02927	1.5
74.06089	2.7
76.29673	0.7
79.05496	9.8
80.05035	2.3
81.03418	10.8
81.07059	11.7
82.06587	2.9
83.04980	1.9
83.08638	1.3
84.04507	1.4
84.08140	1.5
85.02904	23.7
85.06542	1.0
86.03242	1.3
86.06069	3.6
87.00832	5.6
87.04485	0.9
90.05563	1.5
91.04000	1.1
91.05492	7.4
93.07044	7.8
94.06590	2.0
95.04986	2.3
95.08607	11.1
96.08184	0.9
97.02903	7.3
97.06571	1.2
97.10155	0.6
98.06066	0.9
99.04470	3.7
99.08116	1.2
102.05551	2.2
103.03935	0.9
104.07116	2.5
105.01867	3.7
105.07030	4.7
107.08598	5.5
109.02884	8.6
109.03567	0.9
109.10140	3.8
109.98941	0.6
110.06081	0.9
111.04487	0.9
116.07106	1.4
117.01849	1.2
117.07031	1.5
119.08598	3.2
120.08079	1.1
121.02869	1.3
121.10151	6.3
122.03224	0.9
122.09609	0.8
123.11729	1.4
123.15879	0.7
126.05534	1.3
127.03925	10.8
129.01848	1.5
129.05505	2.9
131.08563	3.3
132.73891	0.6
133.10141	3.7
134.09689	0.7
135.11627	3.2
137.13245	0.8
140.10674	0.7
145.04996	2.7
145.10190	2.3
147.11705	2.4
149.13235	1.7
152.07040	0.9
153.01865	1.9
157.10120	0.8
159.02963	3.0
159.11734	1.0
165.01894	1.2
203.18137	0.8
204.03880	0.7
206.10341	1.1
219.19608	0.8
230.06656	0.8
231.04977	0.7
266.12491	0.7
276.23260	3.0
287.05499	35.0
288.05847	42.7
289.06091	1.7
294.24335	6.1
310.11304	1.1
312.25330	9.1
330.26370	31.6
348.27454	47.6
380.28000	0.8
390.28619	2.9
509.14807	0.8
510.32635	1.1
534.32831	2.4
542.29639	1.3
552.33905	6.3
560.30841	1.4
578.31616	17.5
586.55359	0.8
596.32776	100.0
597.33154	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	596.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25671	1.4
53.03930	2.7
55.05510	13.5
57.03440	5.5
57.07073	3.5
65.03928	3.3
67.05508	66.9
69.03424	2.1
69.07076	11.0
70.80511	4.0
71.04969	2.6
73.03390	1.7
79.05501	37.4
81.03400	3.1
81.07062	80.9
83.04967	4.6
83.08611	6.7
85.02891	2.6
91.05479	16.7
93.07047	49.9
95.08611	55.9
97.06536	2.9
97.10162	4.5
99.08084	2.2
104.48856	1.8
105.07037	17.2
107.08598	32.2
107.37450	1.9
109.02883	4.8
109.10162	31.4
110.03627	2.1
111.08080	2.7
117.07024	8.6
119.08562	15.4
121.10146	31.9
123.08063	1.8
123.11720	15.1
127.03947	2.4
130.90921	1.6
131.08574	19.6
133.10144	15.1
135.11685	25.0
137.13240	6.3
145.10127	16.2
147.11699	10.7
149.13280	18.8
151.14833	3.5
153.12700	1.5
158.56110	1.6
159.08189	1.7
159.11694	12.9
161.13245	11.2
163.14810	16.8
165.12743	3.4
171.11659	3.1
173.13240	12.5
175.14758	3.0
177.12959	1.7
177.16403	8.0
179.14352	3.3
180.61098	1.9
187.14838	10.6
191.00093	3.7
197.20921	1.6
201.16368	3.7
205.15971	2.3
213.12839	1.8
215.18132	2.5
224.80113	1.6
231.68773	1.6
233.22604	4.1
243.21078	36.1
261.22156	100.0
263.23364	2.0
273.22058	1.7
279.23157	5.5
315.03873	1.7
333.39874	1.6
335.25821	28.0
341.72141	2.0
353.26913	53.4
451.21353	2.5
531.55914	1.9
541.06720	1.9
561.27039	13.1
579.14233	2.5
596.29407	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	595.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.5
55.01864	6.3
55.05305	5.3
55.05519	60.4
57.03429	5.4
57.07071	12.2
62.64641	4.5
65.03938	5.5
67.05508	38.0
69.03442	26.8
69.07071	51.4
69.41317	18.1
69.41744	17.0
71.04996	11.1
71.08609	6.7
75.40857	4.3
79.05505	25.4
81.03426	18.1
81.07057	100.0
83.04986	70.3
83.08623	24.8
85.02905	38.7
85.06525	9.5
87.00840	12.5
90.37604	4.8
91.05504	33.7
92.87117	4.9
93.07049	28.1
95.04971	14.3
95.08610	87.2
97.02905	13.7
97.06509	10.2
97.10165	20.3
99.04492	6.5
99.08100	7.6
103.05439	13.0
105.01872	11.3
105.03409	21.6
105.07050	38.6
107.04980	8.5
107.08583	26.3
109.02876	12.6
109.06520	17.0
109.10160	57.6
111.08082	8.6
111.11718	18.1
115.05463	8.8
117.07021	14.2
119.04947	4.5
119.08570	30.6
121.06508	7.7
121.10169	24.4
123.04410	7.6
123.08106	7.3
123.11730	28.5
127.03914	20.5
129.07022	10.6
131.04927	23.5
131.08583	12.3
133.06447	8.9
133.10175	24.5
135.08069	10.5
135.11713	8.2
137.05978	7.5
137.13240	14.9
139.11168	4.6
139.78796	4.5
142.07855	11.4
143.08574	15.7
145.05017	8.7
145.06503	23.3
145.10144	22.8
147.08080	13.8
147.11693	8.4
149.05981	5.0
149.09668	11.6
149.13298	11.5
151.14873	7.8
155.08554	12.0
156.09315	5.8
157.10115	24.0
159.08028	14.4
159.11700	16.4
161.06088	10.3
161.09660	13.8
163.07489	8.2
163.11154	7.2
167.07117	6.9
167.08595	5.8
167.36160	4.6
169.10123	12.6
170.10838	7.9
171.08023	10.1
171.11697	29.6
172.08813	5.7
173.05997	6.0
173.09631	9.3
173.13292	7.1
177.16437	6.4
179.08536	7.4
179.18022	6.4
183.08202	6.9
183.11705	18.7
185.09628	9.4
185.13284	26.1
187.11208	12.1
189.09021	5.3
191.10718	5.3
191.17966	5.7
193.10226	4.9
193.12198	5.9
195.11743	8.7
197.09615	12.5
197.13245	4.2
199.11101	23.3
201.09132	6.5
201.12843	8.5
206.15254	5.1
207.11783	5.9
209.13335	6.2
211.11221	8.2
213.09065	5.9
213.12764	30.6
215.10667	4.9
215.14273	5.3
217.12253	7.4
217.19450	5.1
221.13377	7.3
227.10561	7.3
227.14427	7.5
230.10902	7.1
231.04901	5.5
231.13884	5.0
239.14404	5.5
241.12210	11.7
243.13899	8.5
245.15408	7.7
249.12723	6.7
259.13275	5.1
263.14508	4.7
263.27313	12.4
266.44785	5.4
273.14832	10.6
275.27316	13.9
281.28366	34.6
287.05527	42.1
293.28357	46.6
311.29443	20.0
315.17386	6.0
329.18643	5.6
331.16751	6.1
333.18597	5.0
375.19556	6.2
385.17981	7.7
401.30289	8.4
403.18933	6.9
405.20642	6.7
417.20782	10.0
435.21768	8.7
455.38782	5.0
487.30109	5.3
495.23895	10.7
505.31693	11.3
563.25848	6.2
595.29291	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.05515	36.7
57.03418	3.0
57.07080	15.9
60.77660	2.8
61.19719	2.7
62.13667	2.6
64.64880	2.9
67.05508	34.9
69.03407	9.8
69.06724	4.6
69.07072	63.2
79.05489	10.7
79.53943	2.8
81.07058	98.6
83.04998	17.3
83.08621	40.8
85.02901	7.5
85.06543	9.2
91.05474	8.8
93.07054	14.0
95.04956	2.6
95.08613	100.0
97.02892	7.0
97.10176	23.8
99.04475	5.2
99.08070	8.6
105.03370	4.5
105.07048	5.8
107.08595	9.0
109.10174	67.7
111.11726	28.5
113.09537	3.6
117.07058	4.6
119.08563	6.0
121.10117	6.0
123.11710	43.2
125.13271	30.7
127.03929	10.4
133.10083	3.6
135.11679	9.1
137.13277	31.3
139.14841	5.1
143.14310	3.4
145.04922	3.7
145.10179	3.3
149.13258	10.2
151.14822	18.5
155.14299	4.7
157.10059	5.8
159.11699	3.7
163.14899	4.6
165.16418	15.2
169.10104	3.9
169.15869	15.0
171.11707	7.1
173.09676	4.0
177.16383	3.5
179.17960	12.1
183.11682	3.8
183.17532	5.3
185.13280	7.9
187.10985	3.2
193.19415	5.9
197.18936	5.6
211.20406	3.1
211.93025	3.4
213.12817	6.0
219.21072	3.3
237.22290	3.4
249.06061	6.5
249.25723	4.8
250.19348	2.7
275.27307	13.2
287.05450	11.4
293.28415	53.6
311.29547	5.6
357.18631	4.3
358.46786	2.8
395.93820	3.3
399.19278	3.1
435.21341	2.9
519.82611	3.0
595.28864	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	595.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	21.6
55.74030	3.0
57.07061	9.3
59.31942	3.1
59.90524	3.1
67.05510	17.7
68.27227	3.3
69.03427	8.1
69.06724	4.3
69.07073	55.6
70.84174	7.5
70.84520	3.9
79.05493	6.3
81.07059	87.7
82.40054	3.3
83.04958	8.3
83.08627	35.1
85.02901	15.4
85.06499	6.7
87.00825	8.2
91.05469	3.9
93.07041	13.4
95.08608	100.0
96.97297	3.0
97.02879	5.5
97.10184	29.5
99.08103	6.3
105.01861	12.9
105.03407	8.1
105.06987	5.5
107.08577	8.9
109.10168	58.4
111.11732	27.4
117.07024	4.3
119.08543	4.9
121.10120	6.6
123.11726	44.3
125.13291	21.6
127.03927	8.7
131.08640	4.5
133.10109	4.0
135.11664	7.7
137.13245	33.3
139.14813	5.7
145.06503	5.0
149.13269	7.8
151.14818	17.7
155.14351	5.5
157.10104	5.3
157.15784	4.4
159.08067	4.2
161.09630	4.0
165.16417	12.1
169.15883	10.0
171.11671	6.7
179.17967	11.1
183.11697	3.9
183.17453	5.6
201.12680	4.3
205.19583	4.2
210.06068	3.5
211.20598	5.5
213.12857	5.0
249.25774	5.0
261.12607	3.7
275.27325	13.2
277.14465	4.0
287.05576	7.2
293.28421	44.1
311.29208	7.9
325.53021	3.8
357.18674	4.0
406.28113	3.6
424.32059	4.0
466.07794	3.5
595.28119	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	595.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89994	1.0
53.03950	2.0
55.01874	2.1
55.05270	1.9
55.05517	28.6
57.04556	1.1
65.35764	1.2
67.05511	7.9
69.03432	3.1
69.07063	2.6
70.67051	2.1
79.05495	9.2
81.03424	16.2
81.07061	9.1
83.04988	53.8
87.53030	1.2
91.05485	19.1
93.07050	14.5
95.04985	12.8
95.08603	6.9
97.06486	1.5
103.05428	1.7
105.07035	17.5
105.07684	1.6
107.04950	4.3
107.08595	13.7
109.06532	4.9
109.10168	3.7
113.24079	1.1
115.05499	2.5
117.07024	7.0
119.04950	1.3
119.08589	23.8
121.06493	7.0
121.10160	8.7
123.08105	2.1
128.06229	3.4
129.07011	6.0
130.07767	1.6
131.04910	1.4
131.08583	12.1
133.06509	3.6
133.10135	14.3
135.08066	3.4
141.06969	2.7
142.07761	4.1
143.08566	10.8
145.06506	3.7
145.10127	10.7
147.08066	18.0
147.11699	4.5
149.09628	6.4
153.06949	1.6
155.08578	5.1
156.09372	5.7
157.06538	1.9
157.10146	11.2
159.08044	7.1
159.11693	7.6
161.09636	22.1
163.11287	1.8
165.07057	3.2
166.07770	1.7
167.08606	3.7
168.09412	1.8
169.10146	10.4
170.10931	4.3
171.08073	5.4
171.11725	11.1
173.09630	9.1
173.13260	5.5
175.11223	8.4
178.07719	1.7
179.08614	4.6
180.09363	4.4
181.10162	8.2
182.10980	2.1
183.08119	1.5
183.11703	13.4
184.08809	1.2
185.09657	4.0
185.13271	14.2
187.11115	5.0
187.14854	4.2
189.12721	1.3
192.09312	1.6
193.10219	6.3
194.10970	4.7
195.11732	12.9
196.12456	2.3
197.09608	2.4
197.13300	14.5
198.10406	2.0
199.11168	15.8
199.14870	2.3
201.12770	2.1
205.10161	3.4
206.10936	6.0
207.11703	7.6
208.12558	5.3
209.09747	1.2
209.13309	9.8
211.11238	3.9
211.14832	6.0
213.12769	16.1
215.14323	11.9
217.10085	2.0
218.10919	1.8
219.11694	5.9
220.12434	5.7
221.13297	11.5
223.11317	1.7
223.14883	13.8
225.12865	3.1
225.16415	3.3
227.14375	4.0
231.11581	2.2
232.12506	1.6
233.13281	6.6
234.14055	3.0
235.14874	10.6
236.15495	1.9
237.12727	2.1
237.16400	4.3
239.14401	1.6
239.17957	2.9
241.12271	3.0
245.13293	2.6
245.15588	1.2
247.14844	3.6
248.15617	3.1
249.12875	1.4
249.16368	5.5
251.14355	2.7
251.17950	6.1
253.15933	3.0
253.19630	1.3
255.13824	2.8
260.15552	1.8
261.16541	2.3
262.13400	1.5
263.14325	1.5
263.18024	7.5
265.15970	1.4
266.16586	1.2
267.17450	1.1
271.14703	1.3
272.11856	1.4
275.14322	1.4
275.17865	2.3
277.15936	1.9
281.19046	7.7
287.05542	2.8
287.14075	1.4
289.19504	2.1
291.17343	1.4
299.14426	2.1
301.15854	2.3
302.16992	1.4
305.19104	2.2
307.20593	1.9
313.15848	1.4
315.17416	2.4
317.19019	26.6
319.20609	1.3
327.17444	2.0
332.21216	1.8
333.18463	3.3
333.22092	1.8
345.22086	9.0
347.23712	17.6
357.22147	61.5
375.23230	100.0
393.24210	1.7
417.24240	1.9
435.25378	45.4
457.27200	2.9
475.28918	1.2
498.35193	1.2
595.24347	2.0
595.33295	2.6
595.41003	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	595.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.4
55.01867	3.8
55.05512	74.3
57.03430	2.0
57.07074	3.0
60.15514	1.5
65.03943	2.8
66.22920	1.6
67.05487	8.7
69.03439	10.7
69.07066	15.8
71.04994	3.6
71.56002	2.9
79.05491	10.6
81.03403	8.2
81.07059	21.4
83.04984	100.0
83.08617	5.7
85.02906	7.0
85.06593	3.3
91.05479	27.3
91.99270	1.5
93.07040	14.6
95.04952	14.3
95.08607	19.0
97.06551	4.1
97.10164	3.2
99.08090	2.2
101.67847	1.9
103.05475	5.8
105.03401	5.2
105.07031	23.7
107.04951	3.8
107.08578	10.5
109.02935	1.9
109.06539	6.6
109.10152	13.0
111.11732	2.7
115.05432	15.0
116.06203	2.9
117.07011	27.3
119.05034	1.8
119.08580	25.7
121.02935	2.1
121.06508	8.0
121.10166	5.4
123.04504	1.9
123.08066	3.7
123.11720	6.5
125.13303	4.0
127.03919	3.2
128.06241	7.7
128.83801	1.6
129.07002	13.6
130.07796	2.7
131.04895	9.5
131.08571	19.3
133.06564	9.0
133.10147	21.5
135.08069	6.9
137.05991	3.2
137.09641	4.7
137.13242	6.2
141.07030	6.8
142.07814	11.6
143.04933	4.4
143.08554	17.0
143.09401	1.7
145.06487	38.3
145.10130	15.8
147.08040	16.5
147.11687	3.4
149.05977	2.8
149.09676	6.1
149.13257	3.1
151.11137	1.8
151.14790	3.6
153.07016	1.8
154.07802	3.1
155.07434	1.5
155.08571	11.8
156.09349	15.2
157.06500	8.4
157.10115	28.0
157.11288	2.5
159.08051	21.8
159.11678	11.3
161.05954	9.5
161.09608	17.6
161.13235	2.2
163.07585	7.1
163.11278	3.4
165.06999	4.3
165.09171	7.4
166.07846	3.9
167.08620	3.1
168.09360	2.7
169.06560	1.8
169.10123	18.2
170.10898	8.9
171.04311	1.8
171.08028	15.6
171.11685	42.0
172.08815	2.9
173.05997	18.0
173.07324	2.0
173.09607	18.4
173.13255	7.2
175.07571	6.8
175.11230	3.5
177.09126	2.6
179.08603	3.7
179.10744	3.3
180.09352	2.7
181.10153	6.2
183.08105	6.8
183.11700	30.6
184.08858	2.8
185.09636	13.1
185.13249	37.5
187.07571	3.6
187.11214	11.0
189.09122	3.6
189.12848	2.6
191.10652	4.1
192.09338	2.6
193.10199	6.0
194.10963	3.1
195.08104	5.9
195.11705	12.8
196.12395	2.0
197.09624	11.2
197.13280	8.7
198.10364	3.6
199.07538	4.4
199.11163	21.1
200.12057	2.7
201.09192	4.5
201.12749	6.2
203.10664	2.6
205.12192	2.4
206.11015	4.2
207.11760	7.5
209.09674	6.7
209.13304	4.1
211.11192	12.8
213.09334	4.4
213.12741	47.0
215.10774	5.8
215.14401	2.2
217.10301	2.7
217.12271	4.0
218.10927	1.8
219.08142	2.2
219.11880	4.0
220.12486	3.6
221.09706	3.4
221.13304	7.0
223.11247	7.3
223.14825	2.4
225.09145	4.7
225.12808	7.7
227.10736	5.9
227.14308	2.1
229.10399	2.1
229.12120	8.3
230.11003	2.6
231.10074	2.5
231.13710	8.2
233.09810	2.2
233.13461	3.1
234.10393	1.9
234.24538	2.1
235.11281	5.2
235.14882	3.3
236.12151	1.8
237.09186	2.4
237.12860	2.4
239.10649	4.3
239.14311	2.0
241.12245	9.8
243.11800	3.5
243.13939	7.6
244.12524	2.9
245.11584	3.7
245.13490	3.2
245.15453	18.0
246.13884	2.1
247.11194	3.2
247.15109	2.2
249.12834	5.0
249.16476	2.1
251.14626	2.7
253.12485	2.2
255.13869	5.4
256.12592	3.0
257.11841	7.6
257.15576	3.0
258.10403	2.1
258.14124	4.5
259.11005	2.3
259.13174	4.4
261.12738	4.0
263.14127	2.3
263.16565	2.8
267.11642	3.9
267.14120	2.2
268.12598	1.8
269.11749	5.3
270.14081	2.8
271.13507	1.7
271.15152	2.2
272.15710	1.9
273.12622	2.6
273.14963	18.7
275.14267	3.7
281.13251	3.3
283.13513	6.1
284.11969	3.1
284.15201	1.8
285.12711	4.3
286.13577	4.6
287.05542	15.7
287.14343	5.9
287.17697	2.6
289.15845	2.6
291.16028	9.0
293.28491	7.4
296.15671	2.0
297.12909	2.1
298.13589	3.5
299.14291	5.7
301.12396	3.0
301.15948	5.0
303.13980	2.0
309.12766	2.0
310.13531	3.2
311.14352	2.6
312.15271	2.0
313.12451	2.6
313.15625	8.4
315.17545	10.0
317.15283	3.1
319.17126	2.4
324.15347	2.8
325.15945	6.9
326.16797	2.3
327.13828	2.9
327.17520	4.8
329.15466	2.5
329.19070	6.7
331.16931	5.6
333.18365	3.6
339.17361	8.8
343.16873	12.7
347.20026	2.1
357.18536	18.1
361.18094	5.1
367.16553	5.7
373.18030	3.0
375.19504	9.2
385.13632	2.1
385.17798	9.7
387.19510	2.2
389.21259	6.8
393.20947	2.1
399.19678	10.1
403.19083	11.7
405.20557	3.6
411.22238	2.2
417.20587	27.7
429.22971	2.7
435.21732	24.2
439.22876	3.8
447.23615	3.0
457.24008	2.9
463.21246	4.0
477.22803	4.6
485.23648	4.8
495.23947	15.0
499.25012	3.3
503.24408	4.9
512.70868	2.1
517.26074	3.4
535.27032	5.4
563.26300	12.4
576.55255	1.8
577.28162	7.8
595.29028	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	595.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01874	4.5
55.05515	52.0
57.35495	2.0
62.06409	2.0
67.05496	8.0
69.03422	5.1
69.07059	5.7
70.60179	4.1
79.05496	7.6
81.03425	8.9
81.07043	6.4
83.04984	74.5
86.22766	1.8
91.05485	16.2
93.07037	7.1
95.01337	2.4
95.04977	9.6
95.08597	5.3
97.06496	2.2
105.03426	1.9
105.07030	15.3
107.04998	4.4
107.08596	8.3
109.06501	3.6
109.10141	3.1
115.05457	16.5
116.06256	2.7
117.07013	17.7
119.04967	2.3
119.08579	16.9
121.02886	2.5
121.06512	4.6
121.10165	2.8
128.06229	9.8
129.07022	11.6
131.04965	5.0
131.08562	11.8
133.06499	6.1
133.10144	13.9
135.08035	6.1
137.09601	3.4
141.07042	6.8
142.07799	6.6
143.04953	10.6
143.08591	13.9
145.06487	37.8
145.10126	9.2
147.08076	9.9
149.09616	4.4
153.07010	2.5
154.07790	2.5
155.08562	11.2
156.09377	11.9
157.06512	8.1
157.10135	19.9
159.08073	16.2
159.11710	8.1
161.06001	10.6
161.09633	14.4
163.07591	2.6
163.11229	2.4
165.06987	6.8
165.09132	6.4
167.08595	5.2
169.10161	10.1
170.10918	8.0
171.04474	3.1
171.08060	16.8
171.11697	32.0
172.08904	2.7
173.05965	17.4
173.09616	13.1
173.13213	4.4
179.08560	4.8
179.10779	3.8
180.09416	2.9
181.10153	3.5
183.08067	11.7
183.11690	19.5
184.08908	3.2
185.09656	11.1
185.13258	39.4
187.07581	4.4
187.11229	5.4
189.12785	1.8
193.10156	4.4
195.08110	5.3
195.11751	4.0
197.09676	9.0
197.13335	7.8
198.10484	5.8
198.13490	2.3
199.07594	4.2
199.11194	14.1
200.12213	2.3
201.09186	6.7
201.12717	5.2
203.08847	1.9
203.10803	3.1
205.12283	2.6
207.11697	3.0
208.08929	2.9
209.09671	5.2
209.13309	2.6
211.07645	2.7
211.11211	8.1
213.09311	3.0
213.12738	39.8
215.08699	2.2
215.10611	2.4
216.09381	2.1
217.12141	2.3
218.10881	2.4
219.08087	3.8
219.11778	2.9
221.09846	2.9
221.13326	3.4
222.10609	1.9
223.11218	6.1
225.09297	2.1
227.10722	3.1
229.08490	3.0
229.12321	5.2
230.10883	3.5
231.11937	2.8
231.13928	6.2
232.12544	3.7
233.09712	4.2
233.13367	3.6
235.11337	3.2
235.14838	3.4
237.09256	2.7
237.12772	4.7
239.10701	2.6
241.12294	5.3
243.13828	6.1
245.09612	3.5
245.13316	3.2
245.15390	14.0
247.11211	5.7
249.12675	3.1
251.10687	2.5
251.14273	2.9
255.14050	2.8
257.11459	9.3
259.11182	5.1
259.13635	3.7
260.12003	2.5
261.12692	4.5
263.14221	2.8
267.11682	3.0
269.13229	2.1
270.14023	2.4
271.11008	2.7
273.12518	2.5
273.14917	19.0
275.11429	2.2
275.14401	3.8
282.10358	2.6
284.12015	2.5
285.12732	5.3
287.14319	3.6
289.15762	2.2
291.16241	3.3
295.11163	4.3
296.12213	2.1
297.12930	4.4
297.16257	2.8
299.14410	3.7
300.15048	4.6
309.12366	2.5
310.13568	4.6
311.14389	5.1
313.15918	4.6
314.16522	2.8
315.17450	9.3
324.15192	4.8
325.15869	12.9
326.16776	2.6
327.13947	4.1
327.17542	2.6
329.19034	6.6
331.16870	2.7
335.25955	6.3
339.17587	6.3
341.15173	2.3
343.16934	11.4
352.14627	2.1
357.18481	15.4
359.20764	1.9
361.17886	6.0
366.59546	1.9
367.16641	3.8
373.18033	3.3
375.19635	9.8
385.18015	11.9
387.19907	2.9
389.21152	5.7
399.19495	9.9
403.19281	12.8
405.20294	3.9
407.22128	2.4
417.20676	28.2
435.15912	1.8
435.21677	39.2
459.21759	2.3
463.21008	7.4
477.22739	8.3
495.23941	22.3
535.26971	4.4
563.26282	2.7
575.00873	2.0
577.28473	5.0
595.29034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32532	1.3
53.03938	4.7
53.39629	1.3
55.01861	4.4
55.05516	63.9
65.03930	2.2
67.05508	8.3
69.03416	5.9
69.07069	7.8
71.04990	2.6
71.55708	1.9
79.05499	8.5
81.03410	6.3
81.07067	12.2
81.08314	1.4
83.04987	100.0
83.08616	1.8
85.02905	3.3
88.27573	1.3
89.95229	1.5
91.05485	19.2
93.07051	10.7
95.04984	8.7
95.08612	6.7
97.06557	2.3
103.05481	12.6
105.03384	3.2
105.07034	20.1
107.04939	3.8
107.08628	10.8
109.06524	5.0
109.10151	5.0
111.08066	2.6
115.05446	14.3
116.06263	2.1
117.07036	24.3
119.04922	2.1
119.08595	23.5
121.06501	5.6
121.10123	5.1
123.08068	3.0
128.06213	7.5
129.07013	11.0
130.07802	2.6
131.04935	21.7
131.08572	16.5
133.06477	8.4
133.10141	17.2
135.08037	8.0
137.09663	3.3
141.07001	6.6
142.07787	8.8
143.04936	5.4
143.08571	21.9
145.06491	28.7
145.10132	13.9
146.25934	1.5
147.08061	14.9
147.11674	4.8
149.05931	1.6
149.09622	7.7
153.06995	1.7
155.08548	11.6
156.09389	12.3
157.06529	6.4
157.10132	30.2
159.08054	16.9
159.11687	9.4
161.05994	9.0
161.09644	15.8
163.07607	7.8
163.11172	3.9
165.07007	3.9
165.09097	8.7
166.07816	4.6
167.08621	4.5
167.10678	2.5
168.09357	3.8
169.06499	2.8
169.10143	12.6
170.10942	8.2
171.08070	12.8
171.11691	45.7
172.08899	2.8
172.12126	2.4
173.06017	19.2
173.09644	12.0
173.13271	4.7
175.07549	4.9
175.11174	3.5
177.09163	3.9
178.07806	2.9
179.08606	5.3
179.10701	3.4
180.09323	3.0
181.10110	6.1
182.11006	1.9
183.08139	10.0
183.11703	30.7
184.08777	1.9
184.12215	1.7
185.06071	1.7
185.09666	14.0
185.13260	40.0
186.10435	2.3
187.07614	4.4
187.11180	8.5
189.09041	1.7
189.12799	3.1
191.08794	1.7
191.10704	5.6
193.10196	5.5
195.08032	3.9
195.11720	10.2
197.09613	11.2
197.13309	8.3
198.10394	3.5
199.07594	2.0
199.11186	14.9
200.12053	2.7
201.09123	4.9
201.12825	8.5
202.31033	1.6
203.10707	2.9
205.10197	4.1
205.12204	2.1
206.10988	2.6
207.11749	5.9
209.09663	5.4
209.13333	4.6
210.10605	1.6
211.07669	2.5
211.11198	10.1
212.11993	2.0
213.09155	4.6
213.12752	46.3
215.10649	6.1
215.14195	2.0
216.04993	1.6
216.09563	1.8
217.10342	2.6
217.12286	3.4
218.10994	2.3
219.11754	4.1
220.12524	2.3
221.09720	3.7
221.13321	5.0
223.11238	5.0
223.14728	2.1
225.09177	3.8
225.12733	4.0
227.10703	5.1
229.10240	3.3
229.12299	9.5
231.08038	2.1
231.09898	2.9
231.11742	4.4
231.13527	7.3
233.09622	4.1
233.13441	3.3
235.11172	4.4
237.09082	3.5
237.12827	3.8
239.10858	3.5
239.14288	1.9
241.10173	2.3
241.12325	7.2
243.11810	3.4
243.13879	6.1
244.12407	3.4
245.13383	3.2
245.15390	17.6
246.13977	2.5
247.11160	3.6
249.12820	4.3
251.14352	2.1
254.10945	2.1
255.13867	6.8
256.12469	2.5
257.11374	8.1
258.14023	2.3
259.13129	3.1
260.15427	2.2
261.12790	5.1
263.14182	2.3
263.16644	2.5
265.12213	2.3
267.11685	3.7
269.09390	1.6
269.11789	5.1
269.13815	2.4
270.10257	1.7
270.14035	1.9
271.15045	2.9
272.12024	1.9
273.12439	2.6
273.14859	17.1
275.14322	4.1
275.17819	1.5
279.13837	1.9
281.13306	4.3
282.13980	2.5
283.10809	2.3
283.13538	3.7
284.11993	2.1
285.12750	4.2
285.16476	2.8
286.13547	3.2
286.16904	1.7
287.05579	7.4
287.14365	5.3
287.17798	3.0
289.11908	2.5
289.15741	2.5
291.16168	5.4
296.15552	2.0
297.12729	2.7
297.16299	3.5
298.13516	2.8
299.14343	4.7
299.17538	1.7
300.15134	5.5
301.15964	4.2
301.19379	2.5
303.17529	1.9
305.15323	2.4
309.12674	3.3
310.13541	4.5
311.14270	4.3
311.17743	2.5
313.12573	2.7
313.15988	8.0
314.16583	2.5
315.14069	3.2
315.17554	8.8
317.15472	2.6
319.17035	2.4
324.15225	1.7
325.15701	8.3
326.16449	2.7
327.13983	2.8
327.17557	5.2
328.14590	1.8
329.15442	3.8
329.19119	6.2
331.17075	4.9
333.18393	1.8
339.17438	6.8
342.16208	2.3
343.16919	14.5
344.17801	2.6
345.18628	2.3
347.16296	2.7
357.18494	15.5
361.17920	4.8
367.16946	2.9
373.18015	3.6
375.19583	9.8
385.17947	10.3
387.19818	3.5
389.21249	7.2
391.18832	2.7
393.20734	2.0
399.19647	7.0
403.19064	10.3
405.20514	3.6
407.22003	2.7
411.21790	2.8
417.20627	23.9
421.20178	1.9
435.21793	24.7
439.22757	2.8
463.21011	3.0
477.22800	5.6
485.23227	2.2
495.23917	12.9
499.25064	1.9
503.24124	1.9
513.25604	1.5
517.25995	3.6
531.66718	1.9
535.26520	3.5
563.26599	9.9
577.28088	5.1
595.28992	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
54.52803	2.4
55.01881	19.0
55.05514	13.4
59.84797	2.3
66.74725	2.4
67.05504	9.2
69.03437	52.3
69.07045	7.0
79.05508	13.1
79.17651	2.5
81.03413	12.8
81.07056	6.4
82.69010	2.8
83.04974	17.3
91.05490	41.7
93.07061	10.5
95.04970	17.0
95.08607	3.9
97.06516	6.6
102.60091	2.6
103.05481	7.3
105.07046	27.6
105.61302	2.4
107.04975	11.0
107.08601	11.7
109.06526	6.4
115.05466	16.6
116.06230	7.7
117.07029	32.1
119.08590	42.7
121.06511	7.8
121.10154	9.0
128.06203	13.7
129.07025	27.3
130.07808	4.4
131.04939	6.8
131.08582	35.6
133.06577	6.2
133.10130	21.8
135.08081	13.3
141.07066	5.1
142.07773	15.4
143.08559	34.1
144.05713	5.5
145.06500	30.8
145.10159	27.1
147.08055	100.0
147.11626	3.6
149.09628	8.0
153.06967	3.0
155.06075	2.9
155.08568	10.8
156.09383	17.5
157.06503	5.0
157.10159	46.9
158.07275	4.2
158.10933	3.5
159.08075	98.8
159.11700	23.5
161.05960	5.8
161.09636	44.7
161.13275	5.5
163.07520	7.6
163.11176	4.1
165.07047	5.0
167.08569	6.7
168.09236	3.1
169.06508	3.9
169.10144	22.5
170.07312	4.2
170.10892	8.7
171.08066	20.3
171.11703	62.1
173.06021	5.0
173.09619	31.9
173.13269	9.0
175.07582	25.9
175.11195	10.3
175.14906	3.6
177.09134	6.2
179.08589	4.8
179.10733	5.8
180.09300	2.9
181.10164	9.5
183.08098	8.0
183.11725	27.6
184.08858	3.4
185.09633	25.0
185.13272	41.6
187.07614	6.2
187.11208	17.4
189.09196	5.8
189.12834	7.5
191.08664	3.0
191.10570	5.1
192.09335	4.1
193.10150	8.6
195.08110	3.2
195.11731	9.9
196.08855	3.1
197.09659	12.0
197.13382	7.4
198.10413	4.4
199.11229	25.9
200.11986	3.4
201.09081	5.2
201.12747	9.1
203.08731	3.2
203.10542	5.5
203.14349	3.2
205.10176	6.0
207.11771	7.6
209.09674	6.1
209.13319	4.9
211.11269	7.6
213.09264	6.4
213.12752	35.0
215.08829	3.5
215.10628	13.1
215.14262	2.8
217.08524	8.8
217.10439	3.6
217.12289	11.8
219.11853	5.1
219.13846	9.3
221.09618	3.5
221.13293	7.3
223.11211	5.6
223.14827	3.2
225.12735	3.9
227.10674	5.6
229.10237	5.9
229.12288	12.1
230.10948	6.4
231.10065	4.8
231.11804	4.2
231.13792	45.3
233.09561	3.7
233.11542	4.8
233.13487	3.6
233.15405	4.5
235.11290	5.5
237.12747	5.5
239.10727	3.5
241.10097	3.0
241.12257	7.9
243.09926	5.1
243.11978	4.9
243.13945	4.9
245.09573	4.6
245.11769	8.8
246.10374	3.6
247.11208	4.0
247.15036	3.6
249.12735	4.7
249.14937	11.9
256.12521	4.3
257.13348	5.5
259.10849	5.0
259.13162	35.9
261.12698	9.1
269.13312	5.5
270.13907	3.2
271.11163	6.0
271.14670	5.6
272.15695	3.7
273.12573	5.4
275.10507	3.7
275.14511	5.0
277.14243	15.8
283.11154	3.9
285.12781	7.5
286.13840	3.8
287.05591	4.7
287.14453	3.5
289.12256	5.3
289.15939	3.0
296.12109	4.1
298.13559	3.4
299.14310	7.0
299.17499	3.6
300.15314	3.4
301.15955	10.0
303.13702	5.3
303.17563	3.9
311.14160	6.1
312.15140	5.2
313.12607	3.5
313.15918	11.0
314.13043	3.8
314.16696	3.2
315.13895	3.6
315.17450	9.6
317.18936	4.7
319.16956	3.3
325.15787	4.8
327.17419	12.1
329.15430	10.7
329.18973	3.6
331.16959	3.7
333.18411	3.5
335.16269	3.7
335.20230	3.0
341.19220	5.8
343.16891	6.2
345.14749	4.0
345.18600	8.3
347.16348	6.6
355.19135	8.9
357.18564	8.6
359.20093	11.8
361.17932	3.1
363.19733	4.5
369.18546	7.6
371.19998	5.7
375.19446	9.8
377.20969	14.5
387.19577	33.6
389.21155	5.0
395.21939	4.1
403.19070	4.6
405.20621	53.1
417.20221	3.3
423.21680	61.6
473.22913	6.0
491.24149	11.8
509.25314	13.8
558.73828	3.6
577.28125	27.7
595.29584	31.0
621.74115	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	595.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01877	10.2
55.05515	39.1
55.42501	0.9
62.29140	0.9
65.03942	2.5
67.05499	4.4
69.03431	3.8
71.55100	1.3
71.70495	0.9
73.06583	1.0
73.45558	1.0
77.03918	1.2
79.05494	13.3
81.03413	11.4
81.07067	7.2
83.04984	57.9
85.02927	1.2
87.21928	0.9
91.05486	37.7
93.07039	6.4
95.01359	1.6
95.04984	11.7
95.08614	2.6
97.06551	1.0
101.05982	1.0
103.05476	3.6
105.07039	14.6
107.04953	11.7
107.08603	7.8
109.06544	6.8
111.04444	1.5
114.41779	1.0
115.05476	7.5
116.06257	7.0
117.07024	15.4
119.04958	1.8
119.08590	29.8
121.06508	6.5
121.10166	2.5
123.08052	1.3
128.06213	5.6
129.07018	21.1
130.07805	3.9
131.04921	3.5
131.08574	32.8
132.05714	1.0
133.06490	3.8
133.10135	13.2
135.08063	4.5
137.09589	1.0
141.06996	7.3
142.07797	5.5
143.08577	15.7
144.05698	5.7
144.09369	1.9
145.06473	11.8
145.10129	14.6
146.07246	1.0
147.08055	39.9
147.09229	2.0
147.11679	1.3
149.09618	21.6
153.07005	2.6
154.07767	6.3
155.06079	1.2
155.08562	20.2
156.09328	8.0
157.06502	1.3
157.10132	37.9
158.07277	4.0
159.08063	100.0
159.11678	18.5
160.08815	1.1
161.06007	1.8
161.09621	26.0
161.10936	1.7
163.07538	5.3
163.11215	2.2
165.06975	3.1
166.07716	1.5
167.08578	3.1
168.09387	3.1
169.10132	69.9
170.10844	3.1
171.08092	7.5
171.11696	22.3
172.08839	3.1
173.06044	2.2
173.09625	34.9
173.13228	4.9
175.07556	9.6
175.11205	1.8
177.09123	2.0
179.08580	5.0
180.09331	1.9
181.10117	6.5
182.07307	2.2
183.08096	5.9
183.11696	26.7
184.08891	1.7
185.09648	6.2
185.13268	4.1
186.10379	0.9
187.07561	2.5
187.11183	18.1
189.09174	4.7
191.08652	0.8
191.10678	3.1
192.09332	2.9
193.10139	6.1
194.10925	2.6
195.08058	1.8
195.11711	7.0
196.08791	1.8
197.09628	16.7
197.13322	2.0
198.10388	2.7
199.07559	1.9
199.11197	15.2
199.14856	1.1
201.09123	4.5
201.12758	7.0
203.08653	2.1
203.10646	2.0
205.10284	2.1
205.12216	1.7
206.10950	3.9
207.08112	1.1
207.11699	6.7
208.08919	1.7
208.12433	1.7
209.09631	5.8
209.13293	3.1
210.10454	2.3
211.11185	9.2
213.09134	1.7
213.12740	1.9
215.08638	2.1
215.10713	8.6
217.10161	3.2
217.12274	5.3
218.11000	1.7
219.11690	3.8
219.13658	1.3
220.12433	2.0
221.09703	2.5
221.13263	9.1
222.10513	1.5
223.11180	10.2
223.14854	2.6
224.11841	1.1
225.09119	2.5
225.12717	6.8
227.10704	5.5
229.10274	1.6
229.12247	28.8
229.14542	1.4
230.10907	3.0
231.09998	11.9
231.12132	0.8
231.13885	3.8
232.12543	3.2
233.09634	1.7
233.11562	1.8
233.13432	1.6
233.15373	3.9
234.10349	1.1
235.11168	4.8
235.14886	3.5
236.11917	1.7
237.12819	5.4
239.10649	2.3
239.14272	2.2
241.12297	3.3
242.10963	1.3
243.11705	3.0
243.13843	6.8
244.12431	2.7
245.09523	1.3
245.13304	2.9
245.15477	2.2
246.10344	2.2
246.14069	1.2
247.11041	2.4
247.12964	8.3
248.12105	1.5
249.12737	3.2
249.14890	1.3
250.13542	1.4
251.10689	2.1
251.14400	3.2
253.12233	2.1
255.11572	2.1
255.14021	1.1
256.12469	1.2
257.09415	1.2
257.13724	4.4
258.10440	2.6
258.14032	2.4
259.11069	4.3
259.15039	1.4
260.11948	3.2
261.12628	3.2
261.14514	4.6
263.10452	1.0
263.14352	4.1
265.12259	2.1
265.15900	1.8
267.11465	2.1
267.13812	2.9
270.10367	1.2
270.14108	1.7
271.11072	2.7
271.14783	3.6
272.11942	2.3
272.15546	2.3
273.12714	6.5
273.16318	1.6
274.13504	2.7
275.14258	5.4
276.15030	1.2
277.16205	1.0
279.13843	2.7
279.17581	0.9
281.13126	2.6
282.13931	1.5
283.11017	2.1
284.11951	2.3
285.12674	8.6
286.13492	4.7
286.16830	1.6
287.05542	2.9
287.14319	8.9
287.17856	3.0
288.14896	1.2
289.15762	4.0
291.13867	1.5
293.15378	1.5
296.15369	1.4
297.12927	2.1
297.16306	3.7
298.13620	2.2
299.14163	6.8
300.15018	5.4
301.12564	1.7
301.15869	7.2
301.19305	1.5
303.17245	1.7
305.15430	1.2
305.18887	1.6
307.16849	2.5
309.12723	1.9
310.13535	1.1
311.17648	1.2
313.12463	1.8
313.15866	5.2
314.16617	3.3
315.13980	1.3
315.17432	27.0
316.18088	2.2
317.15250	2.5
317.19034	6.1
319.16849	1.1
323.16553	1.4
324.15179	1.8
325.15921	4.2
328.14664	2.5
329.15363	2.4
329.18985	15.4
331.16959	2.2
333.18344	8.4
335.16425	1.6
335.25885	1.1
339.17343	3.4
342.16095	2.0
343.16946	7.1
345.18555	1.4
347.16403	1.2
347.20306	4.6
349.18042	2.7
357.18439	13.2
359.20297	1.2
361.18082	4.4
363.19583	1.6
367.18506	1.3
369.18411	1.1
373.18079	2.6
375.19550	13.3
382.66153	1.0
385.18015	5.6
387.19540	1.2
389.21149	35.4
391.18787	2.4
391.23102	8.1
399.19623	2.0
403.19138	6.4
407.22177	20.8
417.20627	20.4
425.23166	3.5
435.21695	43.8
449.22644	1.4
453.22794	5.6
477.22949	2.2
495.24008	4.4
517.25757	1.8
535.26660	3.9
577.27466	2.4
595.29010	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	595.252
Annotation	Salasol B
Peak:m/z	Relative Intensity
53.03934	0.4
55.01868	1.0
55.05511	1.0
67.05492	0.9
69.03427	0.9
69.30687	0.6
69.31087	2.0
71.89916	0.3
79.05486	1.3
81.03407	1.1
81.07066	1.0
83.04981	2.5
85.02925	0.3
91.05493	2.6
93.07034	1.6
95.04955	1.3
98.21459	0.5
103.05463	0.3
105.03368	0.4
105.07053	2.2
107.04944	0.8
107.08607	1.0
109.06553	0.6
115.05495	0.4
117.07029	1.3
119.04860	0.5
119.08591	4.0
121.06495	0.6
121.10141	0.6
123.08100	0.4
128.06235	0.7
129.07001	2.0
129.26566	0.3
130.07787	0.5
131.04921	1.3
131.08572	2.0
132.05666	0.4
133.06427	0.4
133.10126	1.3
135.08058	0.5
137.06017	0.5
141.06972	0.5
142.07823	0.7
143.08580	1.2
145.02928	0.4
145.06502	1.1
145.10114	2.0
147.08055	4.1
149.09654	1.6
155.08591	0.7
156.09378	1.2
157.10153	2.2
159.08052	2.1
159.11720	1.9
161.09673	1.7
169.10144	1.7
171.08080	0.7
171.11729	2.3
173.09576	1.8
173.13277	0.4
175.07553	1.1
177.05515	0.4
179.08661	0.6
181.10110	0.6
183.07988	0.4
183.11685	1.8
185.09709	0.7
185.13315	0.7
187.11220	0.7
192.07687	0.3
193.10213	0.6
195.07979	0.3
195.11734	0.6
197.09657	0.8
197.13292	0.5
199.11165	0.6
201.09082	0.4
201.12807	0.5
206.10968	0.4
207.11742	0.6
209.09691	0.5
209.13326	0.6
210.10385	0.3
211.11156	0.8
213.12773	1.2
217.10127	0.3
219.11748	0.5
221.13290	0.5
223.11226	0.9
229.12216	0.7
231.13733	0.5
235.14775	0.4
239.14445	0.4
243.13876	0.4
247.11122	0.5
249.12752	0.4
251.14299	0.5
261.12808	0.4
267.14032	0.4
287.05551	1.2
289.15857	0.4
299.47855	0.4
315.17468	0.7
317.15390	0.4
329.18704	0.5
331.16766	0.5
343.17142	0.4
357.18979	0.5
371.19962	0.4
377.25018	0.5
389.21240	0.6
395.25827	1.1
447.21793	0.9
457.20096	0.6
475.20908	4.8
525.61090	0.3
535.23053	10.8
577.28650	0.3
595.25140	100.0
596.25500	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.1
55.05490	0.2
57.03441	1.4
58.27837	0.1
61.02928	1.6
68.99803	0.4
69.03415	0.3
70.33430	0.3
71.04996	8.9
73.02926	0.6
73.03254	0.1
75.04484	0.3
79.05489	0.1
81.03424	0.2
83.04967	0.5
85.02910	11.9
87.04470	0.3
91.03955	0.8
97.02884	0.9
99.04443	0.2
105.03423	0.2
107.04962	0.3
109.02905	0.3
111.00809	0.5
111.04443	0.4
121.02875	1.7
127.03908	0.4
129.05490	3.1
133.02847	0.4
137.02371	0.5
141.06966	0.1
145.04948	0.3
147.04425	0.3
147.06522	0.9
153.01828	2.3
157.06525	0.2
161.06033	0.1
165.01822	1.3
167.58530	0.1
171.04451	0.2
183.02902	0.7
185.06015	0.4
197.05939	0.2
213.05537	0.7
229.68076	0.1
231.06567	0.6
241.04921	0.7
243.06673	0.1
258.05280	0.7
259.05963	0.2
269.04321	0.1
270.67999	0.1
287.05505	100.0
288.05557	0.5
299.05441	0.2
329.06497	0.2
353.06348	0.2
428.41882	0.1
449.10709	0.6
543.70032	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	595.1659
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03939	0.3
55.01871	0.2
57.03442	1.7
57.69805	0.2
59.05012	0.2
61.02914	0.6
64.88703	0.1
68.99805	0.3
69.03434	1.2
70.88287	0.5
71.05000	9.5
73.02911	0.2
75.04470	0.3
80.61287	0.1
81.03411	0.5
83.04969	0.6
85.02912	13.1
87.04461	0.7
89.47829	0.2
97.02887	1.2
99.04452	0.4
109.02882	0.5
111.00812	0.7
111.04416	0.4
121.02858	1.6
127.03924	0.6
129.05499	3.1
129.06978	0.2
133.02864	0.3
137.02350	0.6
145.04980	0.6
145.06442	0.2
147.04483	0.4
147.06505	0.8
153.01854	2.7
157.06566	0.2
165.01869	1.2
183.02934	0.7
185.06001	0.3
213.05441	1.0
231.06490	0.5
234.96982	0.2
241.04973	0.7
258.05267	0.8
259.06146	0.5
287.05521	100.0
288.05807	0.4
449.10828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1449
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
51.02376	0.2
53.03947	0.4
53.11588	0.1
55.01880	0.2
55.05505	0.3
55.78013	0.2
56.72710	0.1
57.03431	0.2
63.38031	0.1
63.61729	0.1
64.02439	0.1
65.03945	1.4
67.05492	0.2
68.99821	0.2
69.03436	1.8
69.07066	0.4
69.22841	0.7
69.23264	0.7
71.04984	0.7
79.05500	0.6
81.03423	3.8
81.07044	0.9
83.04987	0.3
83.08631	0.2
85.02910	2.1
87.00851	0.4
91.05485	9.5
93.07040	0.6
95.04978	0.5
95.08617	0.6
97.02903	0.7
97.06538	0.2
98.20717	0.4
99.04460	0.5
100.07616	0.2
103.05495	0.2
105.01874	0.3
105.03410	0.2
105.07040	0.3
107.04961	0.4
107.08607	0.5
109.02879	1.7
109.06523	0.3
109.10155	0.4
111.00815	0.2
116.07103	0.2
119.04951	21.1
119.08556	0.5
121.02888	0.5
121.06553	0.3
121.10142	0.3
123.04470	0.2
123.11738	0.2
127.03902	1.2
128.04279	0.2
129.06979	0.2
131.08578	0.3
133.02826	0.2
133.10159	0.4
135.11748	0.2
137.02383	0.1
137.06009	0.3
143.08566	0.2
145.04958	0.2
145.06476	0.2
145.10126	0.4
147.04417	100.0
148.04770	0.4
149.05942	0.2
149.09749	0.2
153.01828	0.9
159.03017	0.2
159.11748	0.3
161.06004	0.2
165.01880	0.5
165.05490	3.5
165.06898	0.3
167.07088	0.4
173.13268	0.2
181.05006	0.4
181.23042	0.2
183.02895	0.2
185.13292	0.2
189.12849	0.2
205.08691	0.1
213.05486	0.3
215.17979	0.2
225.13005	0.2
231.05009	0.2
241.04919	0.2
273.22162	1.6
274.22437	0.3
276.11163	0.2
287.05508	24.1
288.02960	0.2
291.08624	4.6
309.09802	2.2
329.06454	0.3
334.27405	2.6
335.27719	0.8
416.14636	0.4
595.21722	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1448
Annotation	CHEBI:75670
Peak:m/z	Relative Intensity
53.03928	0.9
55.01862	1.4
63.98528	0.8
65.03947	0.9
67.74789	0.9
68.99785	5.2
69.83145	3.5
73.01148	0.9
81.03401	2.3
84.04510	1.1
85.02889	1.4
95.04932	1.1
98.97551	0.8
107.04975	4.0
109.02869	3.3
111.00795	3.3
111.04431	3.1
119.04954	1.1
120.00742	0.8
121.02846	1.6
123.04433	24.7
127.03918	100.0
131.04926	2.6
133.02846	0.9
135.04417	21.3
137.02350	1.9
137.05969	1.3
139.03906	73.8
141.06981	0.9
145.03156	3.1
146.05913	1.0
147.04384	6.3
149.02332	3.2
149.05962	1.7
151.03906	16.9
153.05386	0.7
157.06444	0.9
159.04402	2.0
161.05960	2.3
162.05847	1.5
163.02550	1.6
163.03911	32.6
165.05487	3.8
167.03409	5.9
169.04976	1.2
169.06422	1.3
173.05966	2.8
175.03902	6.3
177.05515	4.0
179.03378	11.4
181.04941	2.9
185.05978	1.1
187.03931	4.4
188.07199	1.9
189.05461	2.1
191.03427	10.5
193.04993	3.7
197.05957	2.7
199.03949	1.3
201.05473	6.0
203.03394	12.0
203.06993	1.6
205.04935	3.1
213.05508	4.1
215.03442	1.8
215.07091	1.3
217.04887	2.1
219.06567	0.9
229.04967	6.8
231.06543	1.2
233.04462	8.0
237.02937	1.0
241.04883	1.8
243.06499	3.2
245.04460	8.5
247.06038	23.3
251.05496	1.5
253.04982	0.9
255.06537	1.3
257.04462	12.1
258.05255	1.0
259.05984	7.4
263.05502	4.4
269.04483	2.5
271.06021	12.9
275.05502	17.0
283.05994	7.0
283.18613	0.8
287.05502	24.5
289.07056	11.0
291.08438	4.5
299.05554	8.4
301.07019	9.9
305.06516	3.3
307.08224	6.7
317.06534	7.5
409.09192	14.1
425.08722	8.5
427.10254	6.6
443.09778	7.6
451.10336	1.0
455.09570	1.8
609.25549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54007	0.3
53.03960	0.7
55.05264	0.4
55.05516	8.1
57.07076	0.5
57.17240	0.3
58.06603	28.8
60.04516	1.4
66.78950	0.3
67.05507	2.2
69.03429	0.7
69.07065	1.9
70.02512	0.9
70.02873	0.6
70.06606	0.4
71.08638	0.3
72.08150	0.9
79.05501	1.9
81.07062	3.3
83.04984	40.5
83.08617	0.9
84.08172	0.5
85.02922	1.0
91.05493	1.6
93.07053	3.8
95.04978	0.6
95.08609	4.8
95.09167	0.4
96.08144	0.3
97.06539	1.1
97.10172	0.5
98.20819	0.4
99.08134	0.3
100.07626	6.3
105.07034	3.3
107.08598	4.6
107.09296	0.4
109.06524	1.1
109.10167	2.8
111.04455	0.3
111.08134	0.3
114.09206	0.9
117.07044	1.0
119.08585	3.5
121.10157	2.3
123.08090	2.9
123.11736	0.7
125.06080	0.3
125.09638	0.3
128.06172	0.3
129.07024	0.8
131.08557	2.7
133.10135	3.1
135.08061	0.4
135.11687	1.9
137.13246	0.4
141.07025	0.4
141.09190	0.4
142.07816	0.5
143.08569	3.3
145.10110	3.7
147.08026	0.3
147.11714	1.9
149.09615	3.8
149.13281	0.5
155.08636	1.5
156.09348	0.6
157.10135	3.4
159.11711	3.1
161.09720	0.4
161.13292	0.9
163.11235	0.3
169.10133	2.8
170.10899	0.4
171.11687	3.3
173.13269	2.8
181.10153	1.2
182.10840	0.3
183.11687	3.2
184.12497	0.5
185.13263	2.3
187.14853	2.6
189.16348	0.3
190.90092	0.3
193.10208	0.3
195.11702	0.9
196.12561	0.7
197.13287	2.3
199.14828	1.9
201.16484	0.5
207.11784	0.6
209.13290	1.3
210.14101	0.5
211.14766	1.8
213.16402	1.7
221.13315	0.7
223.14767	1.3
224.15552	0.4
225.16362	2.9
227.18010	1.1
229.19525	0.4
235.14861	0.7
237.16429	0.8
239.17931	1.7
241.19530	0.5
249.16414	0.7
251.18033	1.1
253.19580	2.0
255.21158	0.6
263.17969	0.7
265.19583	0.8
267.21057	0.5
277.19769	0.5
279.21069	0.5
280.21933	0.4
293.22626	1.2
295.24188	4.3
316.12085	0.3
319.24298	1.3
335.27527	0.4
353.28571	0.4
361.25064	0.3
363.26770	0.6
379.26505	1.8
381.27747	0.4
393.28052	0.8
395.29404	1.1
417.31506	0.8
435.32724	1.4
445.32382	0.3
463.32028	1.3
477.33752	1.3
479.31323	0.4
481.33221	0.4
517.36743	7.9
535.37817	6.9
555.69122	0.3
576.40387	0.9
594.41534	100.0
595.25836	0.3
595.41864	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01870	4.4
55.05513	15.6
57.03435	6.7
61.25802	1.3
63.63012	1.6
65.64310	1.5
67.05505	18.4
69.03429	3.9
69.07069	6.2
70.00932	1.7
70.06245	6.8
71.04998	2.2
79.05499	19.6
81.03423	52.4
81.07062	21.1
81.38008	1.6
83.04977	7.5
83.08630	15.2
85.06536	2.0
85.53761	1.5
91.05490	14.7
93.07046	15.4
95.04980	20.3
95.08605	8.5
97.06529	4.5
97.10176	11.3
105.07035	12.8
107.04985	11.4
107.08578	8.9
109.06548	8.4
109.10151	6.0
111.04474	1.9
111.08091	4.1
117.07027	4.2
119.01538	1.5
119.04887	1.7
119.08607	11.1
121.06507	11.2
121.10120	7.2
123.08095	4.0
125.09648	11.6
129.06967	7.4
131.04944	4.6
131.08594	10.8
133.06494	4.1
133.10175	5.1
135.08044	4.8
135.11710	2.4
142.07768	2.6
143.08586	1.9
145.06502	6.1
145.10135	5.1
147.08057	5.0
147.11668	7.0
149.09624	3.7
153.09114	3.5
155.08488	1.4
155.53032	1.9
157.10149	8.7
159.08139	3.1
159.11664	1.9
160.19792	1.4
161.09612	2.2
163.11206	4.2
169.10181	1.8
171.08041	2.6
171.10258	2.1
171.11760	3.1
173.09636	2.0
173.13217	1.8
175.11192	9.1
183.11716	1.8
185.13342	1.9
189.11229	3.6
193.12274	14.1
197.13171	1.6
199.11195	2.2
213.12752	4.1
219.13814	4.1
223.13379	2.6
227.12805	3.2
233.15442	3.6
255.13783	2.4
267.15927	37.2
270.91879	1.7
273.14948	5.1
339.23398	3.0
349.21622	6.3
357.24359	2.0
367.22729	19.2
385.23761	24.5
403.24570	7.2
441.26416	8.1
459.27432	100.0
477.28516	83.6
477.35550	3.1
491.30045	12.8
509.30841	5.7
530.88794	1.6
541.33716	1.8
594.27954	3.9
595.28473	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01863	0.4
55.05514	10.4
55.05786	0.5
57.07073	0.7
58.06605	29.9
60.04522	1.6
67.05515	3.2
69.03429	0.7
69.07069	2.4
71.19723	0.5
72.08151	1.5
79.05496	2.4
81.03422	0.4
81.07069	4.1
82.06590	0.4
83.04988	47.9
83.08602	0.6
84.08149	0.7
85.02895	1.1
85.06586	0.3
91.05484	2.4
91.06768	0.3
93.05175	0.3
93.07049	5.1
95.04999	0.7
95.08613	6.5
97.06551	1.0
97.10172	0.7
99.04514	0.3
100.07628	6.2
100.51539	0.3
104.20433	0.3
105.07029	3.5
106.67291	0.3
107.04988	0.8
107.08604	5.3
109.06544	1.3
109.10155	2.6
111.04482	0.6
111.08146	0.5
111.11712	0.3
114.09182	0.9
117.07053	1.0
119.08588	4.5
121.06493	0.4
121.10158	3.5
123.08089	3.3
123.11722	1.3
128.06178	0.4
129.07016	1.1
130.07776	0.3
131.08572	3.5
133.10156	3.3
135.08096	0.4
135.11708	1.6
138.09195	0.3
139.07541	0.5
139.11157	0.3
139.91409	0.3
140.30788	0.3
141.07121	0.4
141.09149	0.4
142.07802	0.7
143.08574	2.9
145.10127	3.8
146.08173	0.7
147.11687	2.0
149.09621	4.7
149.13268	0.7
154.07669	0.3
155.08572	1.8
156.09364	0.9
157.10164	4.3
158.10876	0.5
159.11723	3.9
161.13274	0.9
163.11253	0.4
163.14856	0.5
165.12778	0.3
168.09367	0.4
169.10162	3.4
170.10863	0.4
171.11676	2.9
173.13271	2.6
181.10158	1.2
182.10876	0.6
183.11684	3.6
183.12975	0.3
185.13278	3.0
186.14154	0.3
187.14812	2.2
189.12683	0.4
189.16437	0.6
193.10149	0.4
195.11745	1.2
197.13326	2.8
198.13879	0.3
199.14832	2.4
201.16469	1.0
203.14615	0.3
207.11742	0.7
209.13240	1.5
210.14035	0.7
211.14813	2.7
213.16365	1.8
221.13330	1.0
223.14799	1.9
224.15511	0.3
225.16362	2.5
227.17993	1.2
229.19510	0.4
235.14955	1.0
237.16437	1.5
239.17947	1.8
241.19621	1.0
247.14888	0.4
249.16406	0.9
250.17149	0.3
251.17867	1.5
253.19571	1.9
257.18884	0.3
263.18021	1.0
265.19592	0.7
275.17990	0.4
277.19492	0.6
278.20535	0.6
279.21170	0.5
280.22018	0.6
290.28510	0.3
293.22696	1.5
295.24237	4.5
319.24341	1.1
341.24683	0.4
353.28473	0.6
363.26999	1.0
376.23441	0.3
379.26492	1.7
393.27921	0.4
395.29385	0.7
417.31830	1.2
435.32651	1.9
463.32419	1.8
477.33453	0.6
479.32382	0.4
504.93280	0.3
517.36853	8.4
517.44531	0.6
535.37909	7.3
535.45984	0.4
576.40344	1.2
582.46832	0.3
594.41559	100.0
595.41870	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99131	2.2
53.03948	5.1
55.01851	3.5
55.05521	13.8
65.88251	2.5
67.05494	7.5
69.03407	7.2
69.07056	6.6
71.04991	3.7
76.74812	2.1
77.72256	2.3
79.05489	12.5
81.03437	4.4
81.07070	14.9
83.04977	18.0
85.02898	4.3
91.05494	21.3
93.07050	25.0
95.04939	7.6
95.08612	12.9
97.02921	2.4
97.06492	3.4
105.03401	3.9
105.07029	29.1
105.07690	3.6
107.08605	17.4
109.06484	6.8
109.10166	7.3
111.08085	2.4
115.05415	2.8
117.06989	10.3
118.10649	2.2
119.08584	29.5
121.06495	9.1
121.10155	7.3
123.04406	3.6
123.08066	4.3
126.05508	6.6
127.03924	3.3
128.06183	6.5
129.07031	6.9
131.04893	3.0
131.08589	22.2
133.06514	3.1
133.10135	19.3
135.08015	7.3
135.11732	3.1
135.77148	2.3
137.05988	3.8
139.03870	2.6
139.07523	4.0
142.07741	5.4
143.08556	21.7
145.06514	4.3
145.10123	21.6
147.08069	8.7
147.11673	3.6
149.05904	4.0
149.09625	3.5
153.05527	2.2
153.09108	4.4
154.07751	2.8
155.07057	3.8
155.08539	15.0
156.09363	5.5
157.06525	3.1
157.10138	32.0
159.08035	7.9
159.11655	16.5
161.06003	3.0
161.09605	8.7
163.07510	2.6
165.06985	6.1
165.09079	2.7
167.07190	2.9
167.08528	11.0
169.10129	31.5
170.10918	2.6
171.08020	7.7
171.11720	22.1
172.08792	3.6
173.09622	10.7
173.13222	4.0
175.07468	3.9
175.11168	4.5
177.09117	3.3
178.07808	3.5
179.08546	6.6
180.09384	5.8
181.10098	19.0
182.07352	2.8
182.10886	7.4
183.11682	26.6
185.09604	9.1
185.13206	12.2
187.07486	3.0
187.11165	6.9
189.09120	6.3
191.10640	5.4
192.09312	5.0
193.10147	20.0
194.10924	7.8
195.08092	3.7
195.11696	23.6
196.12471	5.1
197.09634	8.8
197.13206	15.9
199.07501	3.0
199.11192	9.9
199.14833	3.4
201.09062	5.9
201.12732	4.0
203.08670	3.0
203.10580	2.9
204.09303	3.4
205.10139	9.1
206.10919	4.8
207.11691	20.0
208.08916	2.4
208.12456	5.5
209.09624	7.3
209.13257	20.2
210.10425	3.9
210.13942	2.9
211.11168	9.2
211.14845	7.8
213.09216	4.9
213.12692	7.8
215.10626	5.4
217.10155	8.1
217.12103	4.9
218.10831	6.3
219.11737	10.2
220.12434	7.5
221.09711	3.9
221.13251	19.1
223.11227	8.9
223.14816	12.7
225.09192	3.7
225.12724	5.7
225.16412	3.5
227.10689	7.0
227.14211	3.0
229.12231	5.8
231.11609	8.7
231.13754	4.6
232.12425	8.2
233.13319	12.3
234.14124	5.9
235.11153	5.0
235.14917	11.4
237.12744	7.1
237.16380	7.6
239.10587	3.5
241.12138	4.5
241.15717	2.6
243.13858	4.4
244.12447	2.9
245.13451	11.4
245.15421	5.3
246.13969	3.9
247.11226	4.2
247.14850	13.6
249.12669	6.6
249.16344	8.9
250.13797	2.9
251.14157	6.4
253.12186	7.6
255.13802	5.2
258.14175	3.1
259.14780	5.0
261.12866	3.6
261.16379	7.7
263.14441	3.8
263.17978	7.8
265.12204	3.4
265.15698	3.1
267.13773	4.2
269.15390	5.0
271.14685	2.9
273.12878	3.6
273.16391	5.6
275.14160	4.0
277.16052	3.5
279.13840	6.1
279.17480	2.5
281.15366	8.7
283.16998	4.9
287.14148	2.8
289.15784	7.3
289.19147	2.8
291.13867	3.7
291.17365	6.4
293.15366	5.5
295.17010	11.1
297.15189	3.6
297.18396	15.7
303.13724	3.1
305.15445	4.1
305.18826	3.5
307.16904	11.2
309.15247	3.7
309.18460	19.3
311.16446	3.1
311.20129	4.2
315.17331	3.8
317.15317	3.7
319.16724	3.1
321.18518	9.2
323.16687	4.0
323.20020	20.3
325.17990	5.9
333.14908	4.3
333.18457	22.2
335.20020	6.1
337.18042	3.8
339.16000	3.1
341.17651	6.7
347.20071	15.7
349.17911	5.7
349.21591	5.4
351.15869	7.7
351.19574	35.7
353.17343	4.9
353.21204	4.6
357.18521	5.2
361.14011	2.7
361.18054	8.5
365.21146	12.4
367.18939	10.6
367.22952	5.6
369.16724	2.8
369.20724	27.5
375.19638	30.7
377.21008	6.4
379.15097	3.2
379.19092	26.6
385.17874	3.6
393.20572	62.8
395.22296	11.6
397.20224	23.1
403.19019	21.5
409.20056	7.6
411.21719	44.0
415.21045	3.5
416.21875	3.7
421.20126	46.4
427.21027	5.5
439.21161	100.0
457.22128	29.6
475.23026	7.4
494.25406	4.1
594.29535	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
54.35318	0.6
55.01855	1.4
55.05497	1.0
57.03444	1.1
57.07088	0.7
58.99589	9.6
60.04533	1.1
61.02918	1.2
65.73624	0.7
65.89896	0.5
67.05494	1.1
68.99802	1.0
69.03431	6.2
69.07067	2.4
69.56172	0.6
70.06569	3.7
70.20278	2.6
71.05009	0.9
73.02898	0.9
76.02226	15.3
79.05500	1.5
81.03421	5.9
81.07053	5.4
83.04978	3.2
85.02903	12.5
86.99059	5.0
87.00835	4.4
88.02220	3.0
88.03993	2.5
91.05489	1.4
93.07040	2.3
95.04984	0.7
95.08610	8.9
97.02876	3.3
97.06517	0.7
98.06055	0.6
98.99043	0.7
99.04465	1.8
100.02201	7.2
105.00092	9.8
105.01880	2.0
105.07031	4.9
107.08593	3.4
108.04475	1.5
109.02882	4.7
109.06521	2.0
109.10164	1.1
118.03200	0.8
119.08588	6.3
121.06501	0.7
121.10158	5.0
122.02731	100.0
123.08069	5.6
125.05986	0.8
125.09678	1.7
127.03928	6.7
129.01862	0.9
133.10126	1.8
134.02742	1.8
135.08066	2.1
135.11734	2.2
137.05974	1.0
137.09621	1.4
137.13266	8.0
138.03700	0.9
139.07518	1.6
140.01567	0.7
145.04971	1.7
146.02731	5.5
147.08043	1.6
147.11694	2.6
149.09636	3.6
151.07549	7.5
151.14868	1.2
151.37807	0.6
153.09079	0.9
156.09302	0.8
157.07661	0.8
159.02901	1.9
161.13248	11.6
163.11133	0.8
164.03780	4.0
165.09129	1.6
165.12799	2.2
166.03250	2.3
167.10699	2.8
171.11713	1.5
175.08655	1.2
177.12744	1.0
179.14320	7.6
188.03767	1.1
189.12737	10.3
195.13916	1.6
202.99022	0.6
207.13805	31.2
212.03824	4.7
214.18163	0.7
215.42448	0.7
225.14865	13.7
231.04929	1.3
239.11066	0.8
287.05478	2.2
316.04770	1.6
328.15707	5.8
334.05829	3.7
346.16840	88.4
347.17172	0.8
351.73544	0.7
352.06870	3.3
366.14600	0.8
370.08017	11.4
401.44205	0.7
412.78806	0.7
433.11084	0.8
481.20953	0.6
576.20862	1.6
594.21973	13.6
594.30634	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.7
55.01856	2.0
55.05506	6.9
67.05511	9.7
69.07056	4.6
73.27663	1.5
79.05492	11.7
81.03445	2.6
81.07056	14.7
83.04965	5.0
83.08642	2.0
91.05485	24.5
93.07059	21.1
94.41208	2.0
95.04971	8.0
95.08618	23.5
97.06536	2.4
103.05484	1.8
105.03391	12.9
105.07039	32.8
107.04987	3.2
107.08599	23.6
109.06509	6.0
109.10153	10.1
113.05970	2.2
115.05446	2.2
117.07015	7.7
119.08588	43.9
120.79047	1.6
121.06530	3.7
121.10147	14.6
128.06206	4.6
129.07022	6.4
130.07857	2.1
131.04922	3.7
131.08583	20.3
133.06505	1.9
133.10136	49.3
133.11090	3.0
135.08043	4.6
135.11699	3.3
139.07623	2.4
141.06989	2.5
142.07805	8.2
143.08583	19.4
144.09387	3.1
144.38570	1.7
145.06476	2.5
145.10139	25.1
147.08052	7.9
147.11697	11.2
149.09644	9.7
151.11212	1.7
155.07050	17.7
155.08545	8.3
156.09348	9.1
157.10130	26.4
158.10887	2.0
159.08098	9.2
159.11697	19.4
161.09630	7.4
161.13309	4.9
163.11185	3.6
165.07007	3.3
165.09138	1.8
167.08615	4.8
168.09404	3.2
169.10129	14.7
170.10915	13.1
171.08037	3.9
171.11716	29.4
172.08835	2.8
173.09618	7.5
173.13283	22.1
174.10391	2.0
174.14087	1.6
175.11206	5.8
177.09203	3.3
179.08582	2.3
179.10712	3.1
180.09340	3.9
181.10133	6.1
182.10878	1.9
183.08148	2.5
183.11711	26.7
184.08852	2.3
184.12367	1.8
185.09647	5.7
185.13278	32.6
186.10469	3.6
186.14006	2.1
187.11162	7.2
187.14792	7.8
189.12816	2.0
191.10718	2.3
193.10170	6.7
193.12283	8.7
194.10983	2.2
195.11726	12.2
196.12479	3.6
197.09651	2.3
197.13223	16.2
198.10387	8.9
199.11247	7.7
199.14828	5.7
200.11847	1.6
201.12788	14.1
205.10225	1.9
205.12215	3.2
206.10893	4.8
207.11716	8.8
208.12492	2.6
209.13307	6.3
211.11320	2.8
211.14900	9.4
213.12755	100.0
215.14317	17.4
217.12276	1.9
219.11679	5.1
220.12535	3.3
221.13277	5.9
223.14912	7.7
225.12836	2.9
225.16359	3.6
227.14304	3.8
231.11731	2.2
231.13794	3.8
233.13310	4.0
234.14095	2.9
235.14864	6.3
236.15645	3.1
237.16478	4.6
245.13306	2.9
246.13991	3.1
247.14906	4.7
249.16539	3.1
253.16031	3.2
258.14258	2.1
259.13382	6.7
261.16504	4.3
263.18121	2.4
273.14752	21.5
275.17993	2.6
287.17761	1.6
309.18585	2.0
315.21149	2.2
331.79462	1.9
333.18219	2.7
333.36923	1.8
335.20035	9.0
345.22214	2.7
348.33170	1.8
351.19586	2.7
351.23428	2.1
353.24774	6.8
360.20740	2.3
363.23111	14.3
365.24765	33.8
375.23218	43.2
381.24173	9.0
383.25803	9.6
393.24219	72.0
394.24600	1.8
403.46832	1.7
411.25394	18.5
453.26498	4.9
471.27481	35.1
515.27588	2.0
593.26831	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	593.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72851	1.1
53.03941	2.9
53.35604	0.9
55.01870	1.2
55.05508	3.8
57.03450	1.7
59.05006	1.1
67.05509	8.9
69.03443	5.2
69.07061	4.2
69.42342	2.3
69.42757	5.4
79.05501	10.3
81.03423	30.4
81.07056	10.8
83.04988	3.0
91.05481	13.8
93.07056	14.6
95.04974	21.4
95.08615	14.8
98.21479	1.6
103.05422	1.5
105.03407	12.4
105.07042	19.1
107.04955	5.1
107.08599	17.6
109.06520	5.6
109.10156	3.6
111.08071	2.0
113.06028	1.1
115.05430	1.8
117.07023	6.6
118.51179	0.9
119.08592	15.4
121.06525	6.5
121.10160	5.2
123.08051	2.9
128.06218	3.6
129.07007	6.2
130.07813	2.0
131.04936	15.8
131.08566	15.4
132.68999	1.2
133.06511	7.4
133.10117	9.6
135.08076	11.6
135.11671	1.7
137.09575	1.4
141.06998	3.7
142.07776	7.1
143.08562	13.8
145.06500	3.6
145.10132	22.3
146.08083	1.4
147.08051	7.1
147.11676	4.2
149.09573	2.7
153.07050	2.7
154.07790	3.6
155.08548	9.6
156.09363	6.3
157.10146	22.0
158.07312	1.7
159.08047	7.4
159.11673	8.7
161.09631	19.7
161.13235	2.4
163.11209	4.2
165.06970	2.6
167.08565	4.7
168.09361	5.7
169.10136	100.0
170.10924	5.4
171.08043	1.8
171.11700	29.4
173.09633	25.2
173.11032	2.1
173.13239	6.4
175.11183	18.0
179.08534	5.9
180.09315	2.4
180.62073	1.1
181.10123	9.5
182.10947	3.6
182.50616	1.2
183.11702	99.5
185.09506	2.0
185.13257	13.3
187.11177	6.9
187.14804	2.1
189.12747	6.4
192.09341	1.2
193.10168	5.6
194.10934	4.1
195.11707	19.0
196.12447	2.1
197.09558	1.3
197.13242	10.9
199.11201	14.2
199.14810	3.5
201.12755	3.9
205.10077	1.8
206.10931	2.6
207.11681	8.3
208.12515	3.2
209.09647	1.0
209.13284	16.7
209.15135	2.0
211.11255	2.8
211.14836	5.7
212.11986	1.0
213.12845	5.9
213.16319	1.4
215.14304	3.1
217.10191	2.3
217.12187	2.3
218.11029	1.5
219.11708	4.0
220.12515	3.4
221.13269	9.3
222.14032	2.2
223.11217	2.3
223.14813	10.3
224.15503	1.1
225.12776	3.2
225.16415	2.2
227.14275	2.0
231.11623	1.8
231.13763	2.4
233.13283	3.7
233.15413	1.6
234.14050	2.9
235.11130	1.5
235.14822	6.7
236.15645	1.5
237.12709	2.7
237.16371	6.4
239.14299	2.4
241.15912	1.5
243.11975	1.2
244.12489	1.1
245.13292	2.5
246.14038	1.4
247.11057	1.3
247.14885	2.4
248.15559	3.1
249.16356	3.6
251.14345	2.2
251.17854	4.8
253.15886	3.5
253.19548	2.4
255.17508	1.2
261.12793	1.6
261.16504	1.2
263.18134	5.1
265.15884	2.6
267.17383	3.5
275.14432	1.6
275.17688	2.1
277.15921	3.5
277.19550	6.3
279.17508	3.6
281.18906	6.0
289.15863	2.3
289.19751	1.2
291.17450	4.5
293.19003	7.8
302.16791	1.4
305.19119	1.6
307.20465	2.8
315.17444	2.1
317.19006	12.5
319.20496	4.0
321.22144	8.3
325.21735	1.1
327.21024	1.7
329.18872	1.5
331.20615	8.5
333.18518	5.9
333.22116	4.4
335.19928	2.4
345.22144	32.4
347.23688	8.3
349.21655	13.1
357.22107	16.3
363.23236	15.1
375.18491	2.2
375.23233	41.4
393.24292	28.7
411.25162	6.3
515.28259	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41765	0.4
65.51605	0.3
69.23996	2.9
80.61304	0.3
104.48889	0.4
109.85717	0.3
127.41003	0.4
130.20891	0.3
168.80553	0.4
170.76665	0.4
193.20146	0.4
280.73364	0.4
316.84473	0.4
346.98557	0.3
388.17096	0.6
389.17474	1.3
390.18378	0.5
401.17621	0.5
402.18433	1.3
403.19196	3.1
404.19852	1.2
405.20926	1.6
415.19012	0.8
416.20352	0.8
417.21310	4.1
418.21957	2.2
419.22314	3.4
430.17844	1.3
431.18069	7.9
431.23563	0.8
432.18430	2.2
432.24048	0.9
433.24002	8.9
434.24615	1.6
444.19308	0.8
445.19977	11.5
446.20880	4.5
447.21762	4.5
459.21454	3.5
460.22629	13.0
461.23361	11.8
473.23849	2.6
474.24347	0.8
476.25824	1.2
477.27094	0.6
487.24643	1.1
489.26465	0.9
491.24838	0.8
492.25284	1.1
505.22089	5.1
515.25275	0.5
518.23578	0.5
519.23901	0.7
533.25519	49.3
534.25751	1.0
547.27258	0.7
565.27844	1.0
578.25336	0.4
593.27612	100.0
594.28009	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80787	3.3
53.03936	12.6
55.01853	9.1
55.05504	8.7
55.89132	2.9
57.03425	3.2
58.57519	3.1
67.05489	12.0
69.03414	9.8
69.07060	6.0
69.82416	19.2
71.04987	3.0
73.11552	2.8
74.92339	3.0
79.05499	20.4
81.03416	9.0
81.07056	22.0
83.01342	7.1
83.04972	12.2
91.05485	32.5
93.07043	24.1
95.04958	26.1
95.08607	23.8
95.28016	2.9
97.02888	4.7
97.06523	6.9
103.05414	4.7
105.03398	69.1
105.04488	4.0
105.07030	56.6
107.04967	7.5
107.08595	27.8
109.06522	13.5
109.10105	4.4
111.04452	7.7
115.05450	12.3
116.07114	3.2
117.07010	22.3
119.04902	5.1
119.08594	42.6
121.02834	3.8
121.06473	8.8
121.10126	10.2
123.04446	5.8
123.08087	7.8
125.06013	5.0
128.06235	10.4
129.06998	16.3
130.07852	4.1
131.04893	3.9
131.08563	36.0
133.06503	26.9
133.10147	36.9
135.04396	6.9
135.08066	23.8
135.11647	4.6
137.05980	5.7
141.06941	6.4
142.07782	15.6
143.08575	41.1
144.09319	4.4
145.06519	16.5
145.10100	32.0
147.08032	24.5
147.11667	7.4
149.06000	8.6
149.09610	11.4
151.07567	6.4
153.05527	5.2
153.06947	6.2
154.07788	5.1
155.08533	20.9
156.09340	28.3
157.10133	53.7
159.08049	31.7
159.11699	46.9
161.05988	45.5
161.09601	19.3
161.13217	5.2
163.07552	42.1
163.11223	6.7
165.06978	12.1
165.09140	3.8
167.08473	6.7
168.09340	7.3
169.10106	28.9
170.10857	22.1
171.08064	23.1
171.11682	79.3
172.12349	4.6
173.09589	21.6
173.13245	19.1
175.07597	22.0
175.11218	4.9
177.09081	20.4
179.06998	9.3
179.08533	6.2
179.10690	3.5
180.09277	4.6
181.10159	15.5
182.11044	4.6
183.08049	10.5
183.11699	84.0
184.08871	5.1
185.09590	14.3
185.13266	60.6
187.07603	7.3
187.11241	20.7
187.14830	7.8
189.05472	23.9
189.09140	22.8
189.12727	8.1
191.07045	6.2
191.10617	5.7
193.10110	11.1
195.08047	4.9
195.11707	18.1
197.09601	12.7
197.13251	13.6
198.10371	8.8
199.07523	6.3
199.11203	40.0
200.11845	5.6
201.09105	10.2
201.12730	23.7
203.10678	6.5
205.08475	5.5
206.10881	5.2
207.11688	13.1
208.12494	4.4
209.09645	12.3
209.13217	12.9
211.11192	21.1
211.14822	5.3
213.09251	7.5
213.12740	100.0
215.10625	10.7
217.08562	9.5
217.12219	10.8
218.10884	3.8
219.09944	4.7
219.11841	6.8
220.12500	6.5
221.13281	16.8
223.11205	9.5
223.14803	6.8
225.09132	5.3
225.12669	7.6
227.10719	16.4
229.08357	4.3
229.12279	11.0
231.10118	9.4
231.13797	27.7
233.13307	8.2
233.15396	7.0
235.14842	7.6
237.12717	7.3
239.10670	7.5
239.14319	4.8
241.12270	14.3
242.12959	5.2
243.13826	14.2
244.12598	5.1
245.13419	4.1
245.15462	20.5
246.14087	4.0
247.14915	6.3
249.12778	5.6
249.16537	7.2
251.14270	6.4
255.13889	8.6
259.13025	7.5
259.15286	4.5
260.15631	4.0
263.14096	5.6
263.16516	6.5
265.12289	4.2
271.14944	5.5
273.14798	59.0
275.12897	4.3
277.11954	4.7
277.15887	4.4
279.13864	4.2
279.17212	5.5
287.17645	3.7
291.15872	24.5
295.17078	4.0
299.14374	4.4
303.13724	4.9
305.15027	4.5
317.15332	4.5
319.16974	3.8
321.15085	3.7
331.16882	16.4
333.18478	9.3
343.16733	9.0
345.18362	6.7
347.20126	10.1
351.15863	4.0
351.19614	4.1
357.18469	16.4
361.17676	11.2
365.17032	4.0
369.20496	6.5
373.17908	14.4
375.19580	21.0
377.17508	10.4
379.19077	10.9
383.18323	7.3
385.17944	11.0
391.19025	7.3
393.20566	11.0
403.18997	29.4
405.20938	5.6
407.22037	9.9
417.20422	8.7
421.20245	20.5
435.21756	33.4
439.20990	15.1
453.22794	29.4
465.18854	6.1
471.23822	9.8
483.20288	6.4
557.23871	8.7
561.24738	11.1
575.25562	6.3
593.26825	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	593.2757
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
69.17707	2.7
75.79746	0.2
77.38950	0.3
118.20518	0.3
152.62192	0.2
170.59184	0.3
247.35371	0.3
388.16867	0.4
389.17798	0.7
402.18756	0.7
403.19263	1.9
404.20071	0.9
405.20877	0.8
416.20685	0.4
417.16159	0.7
417.21481	2.5
418.21765	1.2
419.22464	2.9
430.17712	0.7
431.18271	5.5
431.23483	0.5
432.19473	1.4
432.24261	0.4
433.24216	4.6
434.24765	0.9
445.19974	7.3
446.20712	3.3
447.21674	4.1
449.23425	0.6
459.21631	2.3
460.22583	8.9
461.23367	6.8
473.23523	1.9
474.24097	0.4
475.21484	0.3
476.25760	0.9
477.22980	0.9
487.24777	0.5
489.26999	0.5
492.25281	1.3
493.26132	0.3
505.22037	4.9
518.23260	0.8
519.23773	0.9
533.25562	22.9
534.26001	0.5
564.23688	0.7
565.28345	0.8
575.26501	0.4
593.27618	100.0
594.27832	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
54.59761	1.5
55.01867	2.1
55.05496	3.1
56.01943	1.5
57.03426	1.2
67.05502	3.8
69.03413	2.9
69.07061	2.1
69.28220	3.9
69.28632	8.3
77.03916	1.8
79.05488	5.9
81.03387	5.1
81.07042	2.5
83.04976	4.6
85.02908	1.6
91.05487	8.1
93.07050	7.5
95.04983	10.3
95.08595	8.6
97.06538	2.2
102.52692	1.3
103.05474	35.0
104.05782	3.0
105.03391	2.0
105.07030	14.3
107.04912	4.4
107.08567	4.1
109.06499	4.7
109.10133	2.7
109.91798	1.3
115.05425	2.5
116.06195	1.7
117.06992	3.8
119.08585	13.0
121.06495	4.9
121.10125	2.5
123.08031	3.5
128.06239	4.0
129.06998	5.0
130.34732	1.3
131.04930	91.8
131.08571	26.0
132.05261	6.0
133.05566	2.1
133.06462	7.1
133.10136	10.7
135.08023	6.1
137.05952	2.8
141.06981	2.0
142.07748	4.4
143.08591	10.4
144.09256	2.8
145.06485	13.6
145.10164	11.3
147.08035	10.6
147.11655	4.8
149.06017	3.3
149.09618	2.7
151.07521	3.0
153.06935	1.8
154.07843	2.2
155.08545	5.3
156.09360	11.6
157.06534	1.8
157.10133	14.6
158.07268	3.4
158.10896	2.7
159.08057	44.5
159.11647	7.3
161.05995	12.1
161.09636	11.9
161.13260	2.8
163.07527	2.9
168.09348	1.8
169.10130	4.1
170.10918	7.1
171.08087	7.2
171.11697	17.5
172.08859	7.1
173.09618	16.3
173.13264	14.1
174.10410	2.8
175.07559	2.2
175.11179	17.0
177.09140	1.5
179.07007	4.1
180.09398	2.0
183.07973	3.7
183.11696	6.4
184.08762	2.3
185.09641	7.2
185.13284	9.4
186.10486	7.1
187.11189	49.1
187.14790	1.9
188.11627	2.3
189.09113	2.6
189.12747	29.8
195.11751	3.4
198.10324	6.7
199.11130	5.1
200.11961	2.2
201.09052	2.8
201.12750	57.3
202.13171	1.7
203.10733	8.4
203.14418	3.2
211.11189	4.4
213.09253	2.0
213.12750	20.0
217.12260	6.0
218.61459	1.5
219.13776	24.2
223.11118	1.6
225.12759	2.5
229.12221	9.3
231.13803	100.0
235.62878	1.6
237.09084	1.4
237.12770	1.6
239.14221	1.6
247.13278	16.5
248.13554	1.8
249.12793	2.2
249.14864	25.3
259.13232	2.0
309.11221	1.5
319.16943	1.7
345.18634	2.1
361.17911	3.9
363.19595	2.5
373.17810	2.8
377.17386	3.9
379.19031	3.4
383.18433	1.5
391.18948	7.0
397.20078	9.9
409.20111	14.2
427.21082	26.4
445.21838	2.5
475.09595	1.5
539.23309	1.6
557.25385	3.4
575.25940	4.3
593.27954	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	593.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01865	1.3
55.05524	1.2
57.03434	1.0
67.05504	5.2
69.03421	3.0
69.07071	2.6
78.14342	0.9
79.05492	5.7
79.42892	1.0
81.03419	4.3
81.07076	4.5
83.04980	2.3
91.05487	8.2
93.07044	6.9
95.04984	9.9
95.08621	7.6
97.06564	1.2
98.21518	2.3
99.13741	0.9
103.05471	35.0
105.04507	0.9
105.07039	14.8
105.81103	1.0
107.04952	4.4
107.08589	2.9
109.06526	6.0
113.06013	1.0
115.05451	1.6
116.06193	1.1
117.07011	3.6
119.04972	1.3
119.08584	11.5
120.08102	0.8
121.06493	3.4
121.10139	1.6
123.04445	1.4
123.08060	5.7
128.06223	3.4
129.06972	5.2
131.04930	88.3
131.08569	26.3
133.06516	8.5
133.10129	11.8
135.04402	1.4
135.08058	4.9
137.05952	2.3
137.07021	1.0
137.09641	1.6
141.07018	3.1
142.07776	5.5
143.08572	9.8
144.05667	1.8
144.09322	2.3
145.06491	12.4
145.10126	9.9
146.07227	1.1
147.08047	10.2
147.11702	2.4
149.05974	3.1
149.09639	2.9
150.13704	0.9
151.07558	4.2
153.06964	1.2
155.08575	4.3
155.14653	0.9
156.09357	9.6
157.10124	13.9
158.07327	1.6
158.10933	2.9
158.37946	0.9
159.08064	44.0
159.11685	6.1
160.08870	2.0
161.05986	13.4
161.09625	8.2
161.13243	2.9
163.07561	3.7
163.11205	1.5
165.06995	2.2
167.08514	1.3
168.09433	1.6
169.10101	2.4
170.10905	9.0
171.08040	4.4
171.11710	15.7
172.08841	7.5
173.09639	17.4
173.13272	19.5
173.14693	1.8
174.10437	3.1
175.07619	1.7
175.11185	16.2
175.14856	1.0
177.09114	4.2
179.07028	4.3
180.09282	1.8
181.10123	2.3
183.08051	3.8
183.11682	6.4
184.08804	1.7
185.09627	7.3
185.13242	10.4
186.10423	7.8
187.11188	54.3
189.09068	2.5
189.12761	33.1
191.06992	1.3
191.10719	1.8
193.10136	1.7
195.11708	2.9
196.08850	1.2
197.09639	3.1
197.13258	1.3
198.10400	7.8
199.11133	5.5
200.12025	2.5
201.12756	57.6
203.10663	7.1
203.14322	2.5
205.12189	1.4
207.11742	1.5
209.13264	1.7
211.11191	3.5
213.12767	21.6
214.13487	1.0
215.10719	2.3
215.14267	1.4
217.12300	5.6
219.13802	23.8
221.13206	1.5
225.09236	1.0
225.12683	2.2
229.12230	7.4
231.13806	100.0
232.14337	1.2
237.12625	1.5
241.12158	1.9
247.10846	1.3
247.13287	18.5
248.14021	1.7
249.12444	1.3
249.14896	25.0
255.13882	1.4
259.13388	1.9
275.12750	1.7
306.16092	2.2
307.16882	1.0
319.16818	1.9
337.17789	1.3
345.18240	1.3
347.16641	2.0
361.18051	4.8
363.19598	2.2
365.17416	2.3
373.18094	2.7
377.17419	4.0
379.19009	4.7
381.20526	1.2
383.18381	1.4
391.18958	7.3
395.18204	1.6
397.20090	7.6
409.20062	18.4
427.21201	26.7
445.22061	4.1
539.24176	1.1
557.25360	3.2
575.26251	6.5
593.27136	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	593.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.0
53.03936	3.0
55.01871	1.6
55.05501	3.8
65.03940	1.0
67.05514	6.4
69.03417	2.9
69.07060	2.2
77.03935	1.7
79.05490	7.3
81.03429	5.2
81.07066	6.4
83.04546	1.1
83.04972	5.2
85.06602	1.4
91.05483	6.6
93.07057	8.0
95.04967	9.5
95.08624	7.4
97.02918	1.5
97.10174	1.3
103.05473	47.7
105.03413	5.2
105.04493	2.5
105.07033	10.5
107.04977	3.9
107.08572	3.3
109.06516	3.5
109.10130	2.3
115.05453	1.8
117.07044	3.7
119.04928	1.3
119.08595	12.6
121.06495	2.3
121.10141	4.4
123.08064	3.7
123.11720	2.4
128.06216	2.2
129.06996	4.5
131.04936	100.0
131.08580	16.3
133.06509	8.0
133.10126	10.9
135.08054	4.6
137.05988	2.3
137.09560	1.2
141.06955	2.5
142.07745	3.6
143.08574	8.2
144.09341	2.7
145.06502	6.5
145.10133	9.8
147.08008	6.8
147.11708	3.1
149.05943	2.0
149.09642	3.3
151.07535	4.1
153.07001	1.0
155.08585	3.0
156.09380	6.3
157.06485	1.2
157.10132	12.9
158.07314	1.2
159.08067	24.3
159.11673	5.8
161.06020	11.1
161.09605	7.0
161.13287	2.9
163.07570	5.4
167.08556	2.0
168.09256	1.7
169.10149	2.6
170.10902	4.8
171.08028	4.4
171.11699	14.9
172.08826	3.8
173.09653	13.1
173.13284	10.7
174.10400	2.3
175.07486	2.0
175.11192	14.2
177.05457	1.3
177.09103	2.6
179.06982	2.1
180.09306	1.2
181.10141	2.8
183.08081	2.5
183.11713	10.5
184.08748	1.5
185.09685	4.8
185.13272	10.8
186.10390	3.7
187.11189	51.5
187.14812	1.6
189.05438	1.6
189.09088	3.1
189.11060	2.0
189.12762	30.8
191.10722	1.9
193.10118	1.7
195.11684	3.3
196.08734	1.3
197.09663	2.6
197.13316	2.4
198.10399	4.0
199.11209	5.9
200.11897	1.1
201.09058	1.4
201.12747	31.3
203.10660	5.3
203.14314	2.6
207.11713	1.3
209.13301	1.5
211.11157	2.8
213.12766	18.4
215.10675	2.3
217.12216	5.3
219.11795	1.8
219.13800	11.9
221.13283	2.3
229.12219	8.2
231.13815	53.7
233.13368	1.7
247.13214	11.3
249.14825	18.7
259.13184	1.7
265.12155	1.5
265.25443	1.1
273.14847	4.1
273.63715	1.2
275.12814	1.1
313.15552	1.3
315.17258	1.0
319.16901	1.5
331.16910	1.7
333.18484	3.3
345.18210	1.4
347.20035	1.4
357.18402	1.1
361.18033	4.0
363.19614	1.7
365.17386	1.7
373.17941	3.8
375.19452	1.4
377.17441	4.5
379.18973	2.9
391.19040	4.4
397.20029	7.3
403.18759	1.8
409.20209	12.2
427.21106	13.4
433.20227	1.5
445.21927	2.6
453.22516	1.5
492.24857	2.3
542.86115	1.2
557.25348	3.1
575.26282	3.4
593.27301	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	592.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	30.7
57.03422	12.3
57.07075	28.4
59.04989	2.7
59.94611	2.8
67.05176	3.3
67.05511	43.5
69.07054	10.2
71.04991	2.9
71.08629	20.6
75.20509	2.8
79.05506	14.7
81.07059	30.7
83.08615	16.6
85.02920	15.8
85.10175	14.6
87.04462	8.0
91.05450	5.0
93.07060	4.6
95.08617	19.4
97.06525	3.1
97.10177	23.9
100.25773	2.6
107.08599	7.3
109.10170	30.9
111.08096	3.1
112.59447	3.3
113.82633	3.3
123.11675	3.9
125.09631	25.5
126.96786	2.7
143.10654	7.2
163.11195	3.4
171.91628	2.7
173.11673	6.7
199.13316	14.7
227.12802	5.1
229.14352	32.4
239.23705	5.9
301.16599	17.0
313.27365	82.8
403.18915	5.3
431.18600	7.3
433.23877	6.7
437.36398	4.7
445.20279	9.7
446.20740	6.4
447.21625	4.7
455.37497	14.5
459.21683	5.1
460.22333	10.5
461.23187	9.9
467.37305	15.7
505.21579	6.8
533.25513	29.6
539.39398	9.4
587.19861	3.2
592.26520	34.1
593.27557	100.0
617.99194	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	592.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
53.61156	0.3
55.01870	0.9
55.05515	2.0
56.91121	0.3
57.03426	1.0
58.42243	0.3
61.02922	0.9
62.06083	0.9
63.45045	0.3
67.05507	3.8
68.05034	0.4
69.03431	2.9
69.06716	0.6
69.07069	7.7
69.42126	2.7
70.06602	2.5
71.04989	1.3
72.08179	2.6
72.91006	0.4
73.02903	0.8
73.06561	0.6
81.03425	1.8
81.07060	3.1
82.06573	0.5
83.04975	0.8
83.07400	0.4
84.07702	0.3
84.08160	1.2
85.02908	5.1
86.06068	19.9
86.09700	0.5
87.04462	0.7
87.83674	0.4
91.05484	4.9
93.07045	3.5
95.04982	0.6
95.08607	7.9
96.08135	4.2
97.02888	1.9
97.06509	1.8
98.06059	1.1
98.09698	6.2
99.04451	1.4
100.07628	1.2
105.07018	1.6
107.08587	0.9
108.08137	2.3
109.02895	1.0
109.06504	0.5
109.10157	2.0
111.64645	0.4
112.07590	0.3
113.06046	0.5
113.89129	0.4
114.09187	1.0
115.07568	4.2
116.07068	1.1
116.10733	46.4
117.07020	0.6
119.08585	7.2
121.06525	0.3
121.10143	1.1
122.09673	1.4
123.08092	0.6
124.07586	1.4
125.06067	0.4
126.09129	0.5
127.03913	1.5
128.57741	0.4
129.07034	0.4
131.08577	0.6
133.10094	0.4
135.08066	0.4
137.05992	0.7
137.09615	5.8
138.09172	0.6
140.10698	0.7
141.09097	0.6
142.08635	5.1
145.04916	0.7
145.10072	0.6
147.08078	2.3
152.10757	0.5
154.08598	0.3
158.11836	0.4
165.09135	1.4
173.09708	0.4
183.13799	0.5
194.18994	0.4
208.13333	0.7
209.11708	0.3
212.16460	4.3
220.16997	0.4
227.12672	0.4
230.17560	1.6
236.20129	1.0
238.18033	1.5
244.13225	0.4
244.15334	2.0
245.13800	1.8
254.21143	4.9
256.19131	3.8
268.19147	0.4
275.17053	0.4
280.19125	5.5
293.33319	0.4
298.20123	4.3
316.21182	100.0
317.21460	0.7
342.50491	0.4
388.19687	0.5
392.22705	0.7
394.25818	0.4
412.26831	2.3
430.28131	2.9
460.25800	0.6
478.26492	30.0
574.32208	0.6
575.89618	0.4
592.24615	0.6
592.27301	0.5
592.33936	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	592.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05507	2.0
56.05028	0.6
57.03424	0.7
60.54887	0.5
61.02924	0.8
62.06063	0.5
67.05508	3.0
69.03430	3.2
69.07074	5.9
70.06583	1.3
71.04974	0.9
72.08157	3.0
73.02930	0.7
80.47090	0.4
81.03410	1.5
81.07056	2.7
84.08153	1.2
85.02911	4.4
86.06075	18.6
86.06605	0.9
86.09705	0.6
87.04484	0.7
91.05479	4.7
93.07067	2.7
95.04965	0.6
95.08610	7.5
96.08134	3.5
97.02888	2.0
97.06517	1.4
97.08881	0.4
98.06065	1.1
98.09701	7.2
99.04454	1.3
100.07595	0.6
105.07016	1.7
107.08585	1.1
108.08097	2.2
109.02862	0.5
109.06565	0.4
109.10141	2.2
110.09660	0.7
112.84281	0.4
114.09151	0.5
115.07574	3.8
116.10738	49.4
117.07046	0.4
119.08582	7.1
121.10144	0.5
122.09672	1.1
123.08067	1.1
124.07559	1.0
126.09147	0.6
127.03930	1.2
129.06949	0.6
133.10126	0.5
135.08078	0.7
137.09604	6.0
138.09174	0.7
140.10724	1.0
142.08641	4.6
145.10089	0.6
147.08083	2.1
155.10686	0.5
158.11891	0.5
159.11711	0.5
165.09122	1.2
185.11714	0.7
201.11234	0.5
208.13232	0.5
208.17050	0.7
209.11732	0.7
212.16486	1.8
233.15305	0.6
236.20074	0.9
238.18044	1.1
244.15434	1.0
245.13831	2.1
254.21176	5.0
256.19037	3.1
262.17801	0.7
280.19061	5.8
281.87921	0.5
298.20178	4.2
316.21198	100.0
317.21600	0.6
412.26773	1.2
430.28143	4.0
478.26505	26.1
506.52475	0.6
592.34033	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	591.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
54.67688	1.2
55.01863	1.8
55.05513	15.8
57.03447	13.7
57.07082	43.8
65.03928	1.7
65.28933	1.2
67.05510	62.1
69.07072	17.2
70.84975	3.3
71.04990	2.4
71.08636	29.1
78.17152	1.3
78.70715	1.3
79.05058	2.7
79.05495	36.5
81.07064	71.6
83.08627	14.2
85.06543	1.9
85.10197	16.2
89.06003	2.1
91.05479	16.1
93.07053	42.2
95.04975	2.7
95.08615	62.0
97.06532	3.2
97.10185	7.9
105.07043	14.0
107.08599	31.3
109.10167	31.7
111.11739	3.0
113.09683	1.5
117.07051	7.6
119.08596	13.8
121.10160	23.2
123.11729	18.5
131.08574	12.0
133.10149	11.9
135.11685	17.3
137.13254	4.8
145.10138	12.6
147.11716	9.0
149.13263	12.2
159.11716	9.7
161.13272	4.5
163.14838	7.0
173.13306	12.3
175.14787	3.2
177.16420	1.8
187.14868	5.2
189.95853	1.5
190.72624	1.3
201.16393	2.2
215.18013	1.9
233.18921	1.6
233.22656	2.3
239.23645	5.4
243.21100	12.5
261.22171	59.9
276.44528	1.4
279.23230	2.9
313.27386	100.0
317.24799	11.2
335.25815	71.8
441.44653	1.6
499.44135	1.8
573.48828	26.5
591.49854	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	591.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85189	0.7
53.03949	3.6
55.01881	12.4
55.05520	3.9
57.03429	0.8
57.07056	2.4
62.97693	0.7
65.03962	0.9
67.05507	9.5
69.03423	2.0
69.07074	3.9
71.04984	1.3
77.03948	1.6
79.03146	0.8
79.05495	7.9
81.03420	7.9
81.07057	7.3
83.04973	1.9
83.08636	1.4
83.82027	0.7
85.02936	0.7
87.75792	0.8
89.71188	0.7
91.05483	18.9
93.07040	8.1
95.04973	10.0
95.08608	6.3
97.06522	2.3
97.10160	1.1
103.05460	3.1
105.03399	35.1
105.04517	1.7
105.07035	24.5
106.03739	1.0
107.04942	2.9
107.08598	7.4
109.06510	2.5
109.10161	6.6
109.25909	0.7
111.08085	0.9
113.17909	0.8
115.05453	7.5
116.06255	2.1
117.07024	16.1
119.04936	1.0
119.08587	21.0
121.06522	2.2
121.10146	8.3
123.08054	0.8
123.11722	2.2
128.06229	7.3
129.07011	18.1
130.07790	9.1
131.04918	1.9
131.08582	11.4
132.05670	1.0
133.06476	2.1
133.10136	17.5
135.08057	2.2
135.11687	2.9
137.09679	0.8
141.06953	1.6
142.07806	4.6
143.08566	14.9
144.05673	1.8
144.09337	1.2
145.06487	12.8
145.10127	24.5
146.06915	0.8
147.08054	81.9
147.11681	7.0
149.09613	3.2
151.11200	1.0
153.06973	2.2
154.07785	1.1
155.05949	1.6
155.08546	5.6
156.09419	4.8
157.06525	0.8
157.10135	21.5
158.07283	8.9
158.10966	2.1
159.08054	9.9
159.11690	13.7
161.09633	11.8
161.13289	4.6
163.07532	3.5
163.11208	1.4
165.07014	2.3
167.08580	1.7
168.09358	1.1
169.10175	4.1
170.10902	7.5
171.07996	1.8
171.11700	24.1
172.12395	1.0
173.09634	65.6
173.13245	8.7
175.07596	0.9
175.11192	5.8
175.14818	2.6
177.09061	1.4
178.07726	0.9
179.08549	2.4
180.09166	0.9
181.10121	2.7
182.10968	1.1
183.11668	3.5
184.12434	2.6
185.09616	3.6
185.13266	23.8
185.14868	1.7
186.13928	1.2
187.07657	1.6
187.11200	2.4
187.14810	4.1
189.09093	2.2
189.12718	3.3
191.10672	2.1
193.10117	3.3
193.12109	2.0
194.10867	1.7
195.08084	1.2
195.11717	4.3
197.09676	4.8
197.13284	5.4
199.11185	2.7
199.14819	14.2
201.09164	1.1
203.10579	1.8
203.14357	3.4
205.10144	1.9
206.10963	1.9
207.11607	3.5
208.08861	1.4
208.12389	1.6
209.09644	2.4
209.13240	4.0
211.11169	3.4
213.09158	1.2
213.12735	1.6
216.09114	0.8
217.10342	1.1
217.12219	6.6
217.15802	2.1
218.10931	1.5
219.11697	2.5
219.13812	9.1
220.12415	1.0
221.09671	1.4
221.13255	3.0
222.10518	1.1
223.11250	3.9
223.14793	2.9
227.14287	2.2
231.07831	0.8
231.11859	1.3
231.13803	5.3
232.12321	1.6
233.09624	1.8
233.13220	2.6
233.15378	1.7
234.10403	1.7
235.11186	1.3
235.13258	3.5
235.15207	1.3
237.12785	3.1
237.16406	2.0
239.10696	1.5
243.11617	1.3
243.13756	1.8
244.12480	1.2
245.09744	1.7
245.13338	1.8
245.15398	25.7
246.10538	1.8
246.13939	1.3
246.16165	2.6
247.11171	3.2
247.14790	3.2
248.12151	1.2
248.15405	1.0
249.12766	2.0
251.14262	1.1
255.10066	0.8
258.13934	1.1
259.14862	2.5
260.11981	1.6
261.12695	5.4
261.16541	1.1
262.13477	1.5
263.16428	4.1
265.12164	2.2
273.12695	2.1
273.16019	1.0
274.13492	2.0
275.14328	6.3
275.16977	1.1
276.15082	1.0
277.15967	2.7
279.13959	1.0
283.13281	1.5
285.16354	1.0
286.13397	1.2
287.14322	3.1
288.14886	1.6
289.15759	3.1
290.16898	0.9
291.17239	1.0
295.13290	1.1
297.15030	1.0
297.18329	0.9
301.15814	1.4
302.16486	1.9
303.13733	2.0
303.17404	3.7
305.18951	1.1
307.13278	2.9
309.15225	0.9
316.17856	1.3
317.15503	1.0
317.18903	3.9
321.14755	4.1
331.16919	1.4
331.20554	19.4
332.21359	3.4
335.16440	1.0
345.22092	4.0
346.18842	1.9
347.19321	1.8
349.17920	5.5
349.21738	2.1
355.20624	1.2
363.22995	1.3
373.21655	13.9
391.22681	100.0
392.23059	1.5
408.22177	1.0
409.23764	19.7
415.78607	0.8
454.66159	1.0
469.25632	1.5
495.24789	1.3
513.26324	4.6
531.27338	0.9
591.28955	1.7
591.38202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.9
53.03949	2.0
55.01869	1.6
55.05510	2.9
67.05514	5.3
69.03429	3.4
69.07059	1.7
69.17516	7.1
69.17929	3.3
71.45868	0.8
78.95536	0.8
79.05504	9.0
81.02988	1.2
81.03429	15.8
81.07062	5.2
83.04977	2.4
85.02911	11.2
91.05496	8.7
93.07047	8.8
94.33284	1.1
95.04972	12.6
95.08617	7.6
103.05466	1.4
105.03397	20.4
105.04494	1.8
105.07030	9.8
107.04956	4.2
107.08610	7.8
109.06503	4.5
109.10166	2.5
115.05383	1.3
117.07014	4.4
119.08593	13.1
121.06470	4.7
121.10142	2.8
123.08085	1.6
128.06242	2.7
129.07013	3.5
131.04935	9.4
131.08563	8.4
133.06488	2.7
133.10149	8.6
135.08046	4.2
141.06989	1.1
142.07814	2.7
143.08571	9.3
145.06459	3.5
145.10143	9.2
147.08054	8.2
147.11690	5.0
149.09642	1.9
151.26999	0.9
153.06966	1.6
154.07776	1.6
155.08603	5.7
156.09354	3.7
157.10133	12.1
159.08028	6.7
159.11711	6.5
161.09628	30.6
161.13290	1.3
163.11172	2.4
165.06979	2.3
166.07695	1.2
167.08633	3.4
168.09360	2.4
169.10126	19.9
170.10922	2.4
171.08057	2.0
171.11722	8.3
172.08757	1.3
173.09645	15.6
173.13264	6.1
175.11194	6.6
177.12692	1.5
177.50543	1.0
179.08611	3.0
180.09406	2.1
181.10173	6.6
183.08110	1.0
183.11711	17.6
185.09624	4.1
185.13242	7.6
187.11171	11.3
189.12718	2.6
192.09294	2.1
193.10112	5.7
194.10938	3.7
195.11696	7.5
196.12491	1.4
197.09659	4.9
197.13275	3.4
199.11211	4.4
199.14717	1.3
201.12749	4.8
203.14386	2.8
205.10123	1.8
206.10942	3.9
207.11746	6.9
208.12495	3.6
209.13254	9.0
211.11162	4.5
211.14900	4.7
213.12747	2.8
215.10600	5.8
215.14319	1.7
219.11703	2.3
220.12645	1.0
221.13232	5.6
222.14212	1.6
223.11185	3.7
223.14844	8.9
225.12810	1.3
227.14336	1.2
229.10202	1.2
231.11655	2.4
231.13828	1.8
233.13229	3.8
235.11212	1.1
235.14861	3.3
236.15656	1.3
237.12552	2.2
237.16435	3.0
238.13538	10.1
239.14255	1.8
241.15976	2.7
245.13124	1.1
246.14091	1.1
249.16486	2.3
251.14281	1.3
251.18033	9.7
261.12769	1.4
261.16370	1.7
261.22217	1.6
263.17984	3.4
265.15958	1.7
267.17526	3.1
269.18903	2.3
277.19482	2.8
279.14111	1.2
279.17514	3.8
289.15744	1.1
291.17554	1.6
293.18835	1.8
297.18741	1.3
303.17368	1.4
305.19083	1.2
307.16916	6.3
307.20505	4.1
309.18607	4.8
313.27173	1.7
315.17487	1.3
317.15347	2.0
317.18948	1.8
319.20575	4.7
323.16278	1.2
323.19937	2.1
327.21121	1.1
329.19077	2.8
331.16840	1.4
331.20508	2.3
333.18454	1.5
335.23410	2.4
337.21664	3.9
343.20355	1.7
345.22195	26.5
347.20078	100.0
355.20584	3.1
361.21957	1.7
363.23184	25.9
365.21219	1.4
373.21619	14.7
391.22656	22.5
409.23831	7.5
531.27380	3.2
563.22699	1.1
591.26208	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.0
55.01857	5.5
55.05502	7.4
57.03443	3.4
57.36315	2.8
62.40959	2.6
62.57598	2.6
65.03957	3.2
67.05511	20.2
69.03417	11.1
69.07057	12.3
79.05498	23.3
80.60181	2.6
81.03421	21.9
81.07063	23.4
83.04989	6.8
85.19453	2.9
91.05492	24.4
93.07044	21.3
95.04970	44.5
95.08598	14.3
97.06562	5.9
99.24583	2.7
103.05487	6.5
105.03399	64.7
105.07016	27.4
107.04963	18.9
107.08595	18.8
109.06504	10.9
109.10155	6.5
111.08025	3.3
115.05457	5.4
117.07018	10.9
119.04931	3.3
119.08577	31.0
121.06527	21.0
121.10110	5.1
123.08090	4.0
128.06213	9.9
129.07008	10.7
131.04961	3.1
131.08578	16.3
131.58235	2.8
133.06506	7.3
133.10179	14.5
135.08127	14.3
135.11707	3.0
141.06920	6.8
142.07787	17.2
143.08551	24.6
144.09282	2.8
145.06476	15.6
145.10130	24.0
147.08026	12.6
147.11697	5.0
153.07010	5.0
154.07690	3.4
155.08554	15.2
156.09366	9.0
157.10136	29.1
159.08055	13.2
159.11697	13.7
161.09644	9.6
163.11159	4.6
165.06999	5.6
167.08574	9.5
168.09357	5.9
169.10143	61.9
170.07227	6.7
171.08017	8.6
171.11649	25.2
173.09647	10.0
173.13287	4.0
175.11203	4.6
179.08545	9.9
180.09357	4.6
181.10098	14.7
182.10905	8.0
183.11716	26.0
185.09627	26.5
185.13242	11.7
187.11186	9.5
191.08575	3.2
192.09377	3.7
193.10207	16.8
193.11794	3.3
194.10915	12.6
195.11708	23.7
196.12390	3.2
197.13293	25.3
199.11188	17.7
203.08647	5.6
205.10126	7.5
206.10800	13.7
207.11731	25.9
208.12402	6.3
209.09637	5.9
209.13281	16.7
211.11195	8.4
211.14783	9.5
213.12747	10.0
217.10124	6.7
217.12085	4.5
218.10982	4.6
219.11629	17.1
220.12500	10.9
221.13260	42.3
222.14020	3.2
223.11211	7.6
223.14844	16.3
225.12769	9.7
229.10081	3.2
230.10963	4.2
231.11667	9.0
232.12485	9.1
233.13307	15.2
234.14050	5.9
235.11188	5.0
235.14793	16.0
237.12627	6.6
237.16362	7.9
239.14339	9.7
241.12248	3.5
243.11668	7.3
244.12524	6.4
245.09532	4.3
245.13252	11.8
246.14034	6.1
247.11153	4.3
247.14874	24.4
248.15465	3.6
249.12685	7.3
249.16371	16.5
251.14294	12.1
251.17944	5.1
256.12482	5.7
257.13275	10.1
258.14041	7.9
259.11115	5.7
259.14798	11.5
261.12943	4.2
261.16373	17.6
262.17181	3.1
263.14319	7.4
265.15851	5.4
267.17392	3.6
268.12558	4.5
269.15619	3.0
270.14090	3.5
271.11099	4.9
271.14725	5.9
272.15475	5.5
273.12631	6.4
275.14212	11.6
275.17856	10.7
277.15851	15.0
279.17502	4.5
284.11899	3.9
285.12732	3.5
285.16537	3.6
286.13324	3.5
287.14267	7.3
287.17725	7.1
289.15848	12.1
291.17441	8.9
300.15005	4.2
301.15909	3.7
303.13953	3.5
303.17413	9.0
305.19058	8.2
313.15765	4.2
315.17450	32.0
315.20935	4.5
317.18958	9.5
319.16882	3.3
319.20465	8.7
325.19440	4.0
327.17413	5.3
329.18863	17.9
331.16879	8.6
333.18524	10.7
340.18320	4.9
343.20587	86.5
345.22058	20.0
347.19931	9.9
355.20551	45.5
361.21567	54.6
363.23270	3.6
373.21622	100.0
389.51047	3.1
391.22723	65.4
409.23917	20.6
440.23215	2.9
495.25381	2.9
530.87280	2.9
591.26880	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	591.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.01862	1.7
55.05515	46.5
67.05507	2.8
67.55932	0.8
69.03423	2.6
69.07067	1.7
70.99258	0.8
70.99578	0.8
74.44286	0.7
75.75800	0.6
78.39905	0.7
79.05495	2.2
81.03425	2.4
81.07053	1.9
83.04987	64.1
83.08639	0.7
91.05497	5.5
93.07042	2.8
95.04961	6.0
95.08599	2.4
97.06503	1.3
98.87585	0.7
103.05537	0.8
105.03427	1.1
105.07038	5.4
107.08603	2.7
109.06544	2.1
109.10179	1.4
111.34271	0.8
116.06221	0.7
117.07037	1.8
118.42001	0.7
119.08596	6.8
121.06552	1.1
121.10193	2.2
123.66819	0.7
128.06236	3.0
129.07011	3.0
131.04974	1.4
131.08571	3.9
133.10150	4.0
135.08087	1.0
141.07014	1.3
142.07803	2.1
143.08575	2.8
145.10146	2.0
147.08080	3.6
149.09616	1.3
153.06932	0.9
155.08536	1.8
155.14354	0.7
156.09378	1.2
157.06615	0.8
157.10161	2.1
159.08102	2.5
159.11710	1.1
161.09654	6.1
163.11244	0.9
165.07019	3.9
165.09175	2.8
166.07788	2.1
167.08560	1.7
168.09491	0.7
169.10190	2.3
170.07269	0.9
170.10736	0.7
171.08102	1.1
171.11636	1.5
173.09657	3.6
178.07835	1.4
179.08553	1.9
180.09340	2.3
181.10141	2.0
183.08043	0.7
183.11807	0.8
185.09586	3.7
187.11259	0.8
189.07109	0.9
190.07845	0.9
193.08530	0.8
193.10219	2.4
195.08003	1.1
195.11716	2.7
197.09628	6.8
199.11148	1.7
203.08725	1.1
204.09444	0.8
205.10201	1.5
207.10052	1.3
207.11787	2.0
208.08884	2.9
209.09656	2.9
211.11259	2.6
215.08672	1.1
216.09377	1.7
217.10144	1.5
219.11723	1.5
220.12442	0.9
221.09715	1.0
221.13272	1.6
223.11209	12.6
229.10196	1.7
230.10928	2.5
231.11714	2.6
232.12476	1.2
233.09636	1.2
233.13289	1.9
235.11200	1.9
237.09157	1.3
237.12830	2.7
239.08702	0.8
240.09285	1.2
241.10037	1.8
243.11717	3.6
244.08818	0.9
244.12605	1.9
245.09607	2.0
245.13225	4.1
246.10408	1.8
247.11098	1.8
249.12659	1.6
253.10234	2.2
254.10973	1.8
255.11667	4.2
256.12555	2.0
257.09753	1.0
257.13266	2.7
258.10394	1.9
258.14224	0.9
259.11249	2.4
259.14865	1.0
260.11871	2.0
261.12842	2.3
266.11032	1.9
267.11945	1.9
268.12564	2.0
269.09534	1.6
269.13348	2.7
270.14124	2.4
271.11237	1.7
271.14832	2.3
272.11990	1.7
272.15503	0.7
273.12796	4.6
273.16315	2.3
274.13602	1.0
275.14359	2.3
275.17459	0.8
277.15640	0.8
280.12543	1.4
281.13065	1.5
282.10443	1.3
282.14014	1.1
283.11188	6.3
283.14877	3.4
284.11981	2.1
284.15375	0.8
285.13019	1.7
285.16434	3.1
286.13638	1.2
287.11166	1.1
287.14246	5.5
289.12436	1.3
289.15594	1.1
294.14114	1.2
295.11261	2.0
295.14761	2.1
296.11963	2.7
296.15408	0.8
297.12808	7.4
297.16101	1.1
298.13461	5.1
299.10941	1.4
299.14145	3.9
300.14929	1.0
301.15726	1.7
303.14020	1.5
303.17288	1.6
309.12784	5.2
310.13647	1.9
311.14310	6.9
312.15335	2.4
313.12393	1.2
313.15845	20.3
313.19006	0.8
314.13092	2.2
315.13821	1.2
315.17545	1.1
323.14401	8.3
324.15247	3.9
325.16019	4.8
326.16702	2.9
327.13959	1.2
327.17374	5.0
328.14471	0.8
328.18295	2.1
329.15472	3.4
329.18933	1.6
338.16544	6.6
340.18259	1.8
341.15396	2.1
341.19110	7.7
343.20578	6.2
353.19022	18.8
356.17758	4.9
371.20071	28.8
372.20453	0.8
389.21274	1.0
391.22369	1.0
416.19864	2.5
431.22052	9.0
491.24100	2.6
509.26569	0.9
568.60284	0.7
591.29535	100.0
592.29559	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42415	1.0
52.84270	1.0
53.03937	2.4
55.01863	3.4
55.05514	44.6
67.05499	7.0
69.03426	2.9
69.07063	2.3
69.25847	8.1
71.04990	1.2
73.50416	0.9
79.05488	4.4
81.03414	5.1
81.07056	6.0
83.04986	60.6
83.08613	1.2
88.47334	0.9
91.05482	12.5
93.07062	7.1
95.04956	9.4
95.08607	5.2
97.06551	1.5
98.21597	1.9
98.40211	1.0
103.05474	5.4
104.40073	1.1
105.03395	3.5
105.07024	11.0
107.04963	2.4
107.08607	5.9
109.06520	3.0
115.05460	2.3
117.07019	4.1
119.05044	1.0
119.08585	9.7
121.06497	3.7
121.10172	3.3
123.08084	5.0
125.09634	1.3
128.06213	3.2
129.07019	4.3
129.55403	1.1
131.04971	9.9
131.08551	5.9
133.06503	2.2
133.10165	8.2
135.08046	3.2
141.07007	1.8
142.07790	3.3
143.08594	6.8
145.06508	1.7
145.10146	4.3
147.08057	5.4
148.04138	1.2
149.09639	3.8
151.07524	1.5
153.07010	1.6
155.08577	2.3
157.10181	4.4
159.08090	4.3
159.11713	2.3
161.09615	8.9
163.11272	1.4
165.06998	3.8
165.09123	2.6
166.07822	2.5
167.08603	2.9
169.10149	4.4
171.08122	2.6
171.11746	3.5
173.09665	4.2
173.13246	1.1
175.11195	1.6
179.08527	2.8
180.09364	4.2
181.06354	1.1
181.10168	4.6
182.52785	1.1
183.11726	4.2
185.09624	5.3
187.11217	1.4
192.09383	1.3
193.10190	4.0
195.08063	1.5
195.11737	5.0
197.09642	6.3
197.13338	2.1
199.11247	2.9
203.08582	1.8
205.10129	1.5
206.10931	2.1
207.10040	1.4
207.11794	2.7
208.08867	3.3
209.09657	2.5
209.13313	3.6
210.10324	1.3
211.11192	3.8
211.14970	1.2
213.09093	1.2
213.12720	2.7
215.08661	2.5
216.09424	1.9
217.10255	1.7
219.11774	2.6
221.13307	2.6
223.11189	15.6
223.14957	1.7
225.12846	1.9
229.10178	3.5
230.10931	3.8
231.11913	2.5
232.12599	1.8
233.09677	2.2
233.13382	2.0
235.11258	2.9
235.14680	2.6
237.09154	1.8
237.12798	2.0
241.10196	1.3
242.10966	2.0
243.11739	3.9
244.12585	2.3
245.09563	2.8
245.13309	4.6
246.10350	1.6
247.11208	2.1
247.14857	2.1
249.12773	2.0
249.16496	1.2
250.13806	1.3
253.10229	2.2
255.11754	3.6
256.12543	2.1
257.13293	3.6
258.10388	1.2
259.11169	2.7
259.14905	3.7
260.12076	2.2
260.15637	2.1
261.12842	2.1
261.16394	1.6
263.10742	1.2
263.14252	1.8
265.10147	1.5
267.11786	2.6
268.12485	2.1
269.13266	4.4
270.10382	1.2
270.13934	2.7
271.11307	2.1
271.14874	2.0
272.11908	3.4
273.12817	6.3
274.13678	1.3
275.14355	4.0
277.15732	2.5
280.12424	2.8
281.13254	2.8
283.11288	4.8
283.14880	3.2
284.15698	1.7
285.12808	3.1
285.16354	4.6
286.13470	1.8
287.14429	5.4
288.15320	1.7
289.15872	2.7
295.11371	2.3
295.14789	2.6
296.12070	3.7
296.15503	1.3
297.12863	7.0
298.13596	6.6
298.16745	1.3
299.10965	1.3
299.14377	3.0
300.15503	1.6
303.13998	1.6
303.17462	2.1
308.11838	1.6
309.12854	5.4
310.13605	2.7
311.14288	6.6
312.15015	2.9
313.12460	2.4
313.15878	19.3
313.18985	0.8
314.13193	1.6
315.14102	1.6
315.17484	2.2
323.14264	9.4
324.15182	4.2
325.16089	6.6
325.19537	1.7
326.16681	2.3
327.17545	6.0
328.18210	2.1
329.15387	2.7
329.18729	2.0
331.16745	1.5
333.15005	1.3
338.16632	8.4
340.18341	1.6
341.15326	3.2
341.19125	8.5
343.16946	2.1
343.20496	8.3
353.19025	21.9
355.20563	1.7
356.17783	4.0
361.21716	1.3
371.20084	27.4
371.24435	1.8
373.21625	4.7
383.18387	1.3
391.22803	2.0
416.19882	1.3
431.22229	9.6
491.24515	1.6
591.29584	100.0
592.29620	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	591.2606
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
51.96929	0.1
52.13873	0.2
57.19352	0.1
60.62457	0.2
67.05485	0.2
71.26314	0.2
71.26645	0.2
77.53286	0.2
79.05468	0.2
81.07034	0.3
97.32052	0.1
109.10084	0.2
119.08515	0.2
209.87543	0.1
352.72043	0.1
388.17999	0.2
389.18515	0.1
390.19629	0.2
398.16489	0.1
399.16281	0.3
400.17108	0.4
401.17609	0.9
402.19040	0.2
403.19626	0.2
404.20984	0.4
412.18063	0.2
413.17850	0.4
414.18661	1.2
415.19235	4.2
416.20026	2.2
416.28326	0.1
417.21158	0.7
418.21890	0.2
419.22626	0.2
427.19595	0.4
428.20200	0.7
429.20883	6.8
430.21671	4.3
431.22672	1.8
433.24332	0.7
442.22055	0.3
443.23071	2.3
444.23669	6.2
445.24182	4.4
446.24689	0.5
447.26062	0.2
448.26346	0.9
456.19098	0.1
457.20193	1.1
457.24887	0.5
458.20737	0.8
458.25156	0.7
459.21429	2.8
459.25842	3.0
460.22305	0.2
461.23267	0.5
469.24432	0.2
471.21921	0.7
472.22696	2.9
473.23560	4.9
474.24506	2.5
475.24854	1.1
476.22119	0.5
485.23627	1.8
486.24896	0.7
487.24988	21.5
488.26538	0.7
489.22894	2.1
490.23718	0.6
500.22131	0.3
501.22791	0.3
502.24084	0.2
503.25323	1.6
504.25418	0.3
513.22687	0.2
515.24628	1.0
517.21942	0.6
518.23083	0.9
519.27576	0.2
531.23950	15.5
532.24664	5.0
559.23633	0.3
563.26611	0.6
576.23981	0.3
591.26056	100.0
592.26422	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31678	1.2
51.02372	3.4
53.03948	10.8
55.01871	10.8
55.05497	2.5
58.75589	1.1
66.51551	1.0
67.05504	2.7
69.03416	2.2
69.32569	9.8
77.03928	3.5
79.05481	6.3
81.03417	8.8
81.07063	2.9
83.04958	4.8
91.05486	20.6
93.07030	4.5
94.89429	1.1
95.04968	14.7
95.08618	2.5
98.44639	1.2
103.05443	2.5
105.03395	100.0
105.04521	5.7
105.07027	12.3
107.04938	4.7
107.08586	5.7
109.06507	3.2
112.31384	1.3
115.05459	6.5
116.06224	1.6
117.07034	11.7
119.04951	1.3
119.08574	21.4
121.06522	2.9
121.10117	2.3
128.06224	4.0
129.07011	13.5
130.07808	1.6
131.04929	4.4
131.08585	12.4
132.05736	1.6
133.06508	3.5
133.10112	5.2
135.08040	3.1
141.07002	4.6
142.07797	5.7
143.08556	10.5
144.09303	1.5
145.06468	9.0
145.10107	7.5
147.08054	65.3
147.11653	1.5
149.09653	10.2
155.08525	4.1
156.09375	8.3
157.06541	2.0
157.10126	45.6
159.08081	20.7
159.11690	27.2
161.09650	10.2
163.07564	17.5
166.07834	2.0
167.08578	1.6
169.10135	16.6
170.10873	2.9
171.08043	3.4
171.11697	44.4
173.05974	4.7
173.09625	12.9
173.13242	6.4
174.50807	1.3
175.07549	18.9
175.11195	5.1
177.09119	1.9
179.08536	1.6
180.09369	1.9
181.10068	3.4
183.08047	2.4
183.11717	17.4
185.09697	8.3
185.13228	3.0
187.11249	6.7
189.09029	1.8
189.12830	1.6
191.10608	1.7
193.10138	3.5
195.11697	2.8
196.08763	1.6
197.09579	8.7
197.13254	1.4
199.11194	15.6
201.09154	2.5
201.12784	3.3
203.08881	1.6
203.10683	3.0
205.10228	1.8
207.11797	2.7
209.09673	3.0
209.13263	1.5
210.10526	1.5
211.11183	3.5
213.09109	2.5
213.12723	1.8
215.08740	1.9
215.10664	4.8
217.12233	9.0
219.11740	2.0
220.12383	1.6
221.09644	2.3
221.13286	2.0
223.11156	4.7
225.09091	1.7
225.12749	3.0
227.10638	9.2
228.19589	1.3
229.10243	2.1
229.12231	8.7
231.13768	15.5
232.12341	1.5
233.09567	1.6
233.15407	3.7
235.11093	2.1
235.14902	2.2
237.12740	2.7
243.13916	1.8
244.12462	2.4
245.11545	3.1
246.14117	1.9
249.12585	2.1
249.14731	6.3
255.11754	1.4
257.13434	1.8
258.14148	1.4
259.13293	4.8
261.12659	2.2
269.13254	1.5
270.14069	2.3
271.14651	1.6
273.12677	1.8
274.13678	1.6
277.14447	4.2
284.12018	1.8
285.12805	3.2
285.16104	1.4
286.13397	1.7
287.14185	1.8
289.15662	1.9
297.12665	3.3
298.13409	2.7
301.15900	1.6
303.17322	6.2
305.13962	1.4
312.14963	2.7
313.15796	7.6
314.16528	2.0
315.17490	7.6
317.18759	1.4
327.17422	4.5
329.18683	1.7
331.13358	1.9
331.16751	8.1
333.18414	1.8
341.15295	1.4
345.18439	6.0
349.17947	2.0
355.16833	2.3
357.18549	3.1
359.16226	3.1
371.20023	2.0
373.17874	12.4
375.19461	2.3
376.19794	1.3
377.21140	3.6
387.19568	3.0
389.21179	4.2
391.18939	2.2
401.17688	3.0
405.20642	18.6
407.22101	5.2
408.22430	1.9
419.18448	1.9
423.21759	9.9
425.23221	1.6
426.23920	1.4
433.20056	10.8
436.21927	2.5
437.19559	4.5
451.21127	11.1
469.22165	5.8
541.23022	1.4
559.23309	10.4
573.24817	31.0
591.27966	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	591.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01863	3.9
55.05497	1.9
67.05499	2.8
69.03412	1.7
69.07065	2.1
71.19729	1.5
77.03937	1.6
79.05491	5.2
81.03418	2.7
81.07058	1.8
83.01346	1.9
91.05480	7.7
93.07051	5.0
95.04982	6.6
95.08601	1.7
97.06521	2.3
103.05475	47.9
105.03400	1.2
105.07045	9.3
107.04931	2.8
107.08588	3.0
109.06527	2.7
111.04479	1.1
115.05463	1.6
117.07020	3.3
119.08588	9.3
121.06530	2.1
121.10161	1.2
123.04408	2.4
123.08090	2.1
128.06233	1.9
129.07014	2.3
131.04933	100.0
131.08575	15.5
133.06485	3.7
133.10121	3.3
135.04361	1.2
135.08043	2.3
137.05971	1.2
141.06943	2.4
142.07767	2.8
143.08571	4.3
144.09349	1.4
145.06485	7.6
145.10144	5.4
147.08047	5.6
149.05984	4.1
149.09608	1.7
151.07547	1.4
153.07028	1.7
155.08536	2.2
156.09326	4.1
157.10162	5.6
159.08064	22.1
159.11699	2.6
161.05974	3.2
161.09634	3.9
165.06995	1.6
166.07791	1.1
167.08588	1.5
168.09352	2.0
169.10132	3.2
170.10901	2.0
171.08051	3.1
171.11716	9.5
172.08820	1.7
173.09674	4.1
173.13274	8.6
175.07590	2.4
175.11162	2.7
179.07080	2.3
179.08577	2.3
179.10597	1.1
181.10133	2.4
183.08057	2.1
183.11710	4.1
185.09616	4.0
185.13264	3.3
186.10403	2.5
187.07562	2.6
187.11197	2.1
189.09143	2.9
191.10704	3.0
193.10162	2.8
194.10956	1.5
195.11707	2.3
196.08829	1.8
197.09659	1.7
199.07556	1.0
199.11174	4.0
201.09094	4.5
201.12746	19.3
203.10710	2.0
205.10213	1.8
207.11736	2.3
209.11650	1.4
211.11148	3.7
213.09140	1.5
213.12837	5.1
217.08488	1.6
217.10356	1.4
217.12195	2.2
219.11887	1.5
219.13759	6.5
221.13235	2.5
223.11194	2.3
223.14870	1.2
225.12749	1.1
227.10558	1.4
229.12227	10.1
231.11810	1.6
231.13792	3.7
232.12404	1.4
235.14850	1.2
237.12749	2.5
241.12244	1.9
244.12436	1.1
245.13470	1.2
247.13284	22.5
249.12750	2.3
249.16383	1.2
251.14296	1.3
257.15759	1.1
260.11905	1.2
261.16431	1.2
263.14249	1.6
265.14313	1.8
267.13718	2.5
277.15833	3.2
279.17575	1.7
285.14923	3.4
289.15668	2.0
297.18576	1.4
303.15918	4.2
307.16901	3.7
315.70883	1.1
325.17957	2.3
331.15314	3.6
335.16370	1.3
343.19122	1.6
359.16583	1.8
361.18140	1.9
377.17422	2.2
379.19012	2.8
389.17490	3.5
395.18427	1.2
407.18311	8.0
425.19580	15.1
443.20651	4.6
468.09009	1.2
561.19781	1.2
573.24670	7.7
591.25629	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	591.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.3
53.03934	2.5
55.01862	2.4
55.05502	2.0
56.30685	0.7
57.02198	0.6
67.05500	2.8
69.03436	1.5
69.07072	2.1
69.24586	1.5
69.24986	5.7
75.39442	0.8
77.03916	1.2
79.05496	4.4
81.03426	1.7
81.07050	3.3
83.01333	2.8
83.04981	1.2
85.02876	0.8
91.05471	6.4
91.67538	0.7
93.07039	4.4
95.04964	5.3
95.08594	2.1
97.06544	1.2
103.05473	53.6
105.03393	4.8
105.04525	1.0
105.07039	7.0
107.04948	1.7
107.08593	3.0
109.06508	1.9
109.10175	0.8
111.04453	0.8
113.06010	0.9
115.05453	1.8
117.07003	4.1
119.08588	7.9
121.06493	1.6
121.10133	1.6
123.08124	1.6
124.41862	0.7
128.06171	1.2
129.07021	2.9
131.04933	100.0
131.08568	9.2
132.05232	0.9
133.06479	3.0
133.10120	2.3
135.04446	0.8
135.08081	2.5
141.06995	1.3
142.07780	1.4
143.08546	6.0
144.09354	1.1
145.06490	3.8
145.10172	4.7
147.08035	5.1
149.05984	1.5
149.09634	1.9
151.07587	1.8
155.08542	3.1
156.09370	3.1
157.10149	6.3
158.07184	1.0
158.10800	1.1
159.08070	14.8
159.11697	6.0
161.06004	2.7
161.09644	4.0
163.07549	1.8
163.11156	1.2
165.07071	0.8
167.08563	1.6
167.31801	0.8
168.09364	1.0
169.10117	4.1
170.10954	1.6
171.08038	2.1
171.11710	8.9
173.05975	0.9
173.09637	4.3
173.13234	5.9
175.07585	1.4
175.11191	1.6
177.09148	1.2
179.07077	3.3
179.08519	1.1
181.10078	2.9
183.08081	2.1
183.11720	6.3
185.09663	2.4
185.13293	3.5
186.10396	1.2
187.07552	1.7
187.11195	2.1
189.09149	1.4
191.10701	2.3
192.09363	0.9
193.10123	1.4
194.11024	0.9
195.06541	0.8
195.11700	2.1
196.08865	1.1
197.09630	1.6
197.13168	1.0
198.10440	0.8
199.11160	2.5
201.09113	1.6
201.12749	9.3
203.10680	2.7
207.11702	2.4
208.12408	1.3
209.11601	1.2
209.13344	1.4
210.10454	1.0
211.11171	3.3
211.14729	1.2
213.09207	1.7
213.12787	4.2
215.10710	1.3
215.14311	0.7
217.10364	0.9
217.12221	1.2
218.10881	1.1
219.11865	1.2
219.13805	2.8
220.12686	0.8
221.13318	2.7
222.13995	0.8
223.11182	1.7
225.08981	1.1
225.12659	1.4
229.12109	4.2
231.11725	1.9
231.13846	2.7
232.12488	1.0
233.13373	1.4
233.15454	1.0
235.14868	1.9
237.12723	2.1
245.15440	0.9
247.13200	10.6
249.12674	1.2
249.16405	2.1
251.14246	1.2
261.12701	1.1
261.16751	1.0
263.10864	1.0
263.14053	0.9
267.13754	1.6
271.13306	1.0
275.14417	1.3
279.17499	1.3
285.14902	1.0
289.12021	0.9
289.15527	1.1
295.17084	1.2
301.16281	0.7
307.16943	1.9
319.16766	0.9
325.18066	1.2
331.16165	1.6
333.18350	1.6
345.18445	0.9
347.16431	1.3
349.17990	2.1
355.16888	0.8
361.18030	1.6
365.17740	1.0
373.18201	1.0
377.17419	2.4
379.19052	1.8
389.17273	1.8
395.18140	1.0
397.20151	2.6
405.20712	1.5
407.18292	5.2
423.21509	0.9
425.19485	9.9
433.20288	1.3
443.20358	3.6
451.20889	1.8
469.21811	1.0
473.23532	1.3
547.18695	0.9
555.23358	1.0
573.24829	2.8
591.25909	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	591.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01868	14.0
55.05499	8.4
60.31484	3.5
67.05499	19.6
69.03432	9.6
69.07068	5.8
70.81916	3.4
74.65410	3.3
79.05496	25.5
81.03407	14.4
81.07051	12.7
83.04970	5.3
91.05505	35.3
93.07034	22.6
95.04553	3.3
95.04988	33.9
95.08605	14.0
97.06551	7.3
103.05467	25.1
105.03395	28.9
105.07042	47.6
107.04945	14.0
107.08582	16.5
109.06519	12.9
111.04433	4.6
115.05462	17.3
117.07018	25.1
119.04953	5.0
119.08575	31.8
121.02835	5.2
121.06501	10.7
123.04379	4.8
123.08098	10.1
123.96790	4.1
128.06239	14.9
129.07018	21.8
130.07774	4.9
131.04933	45.2
131.08569	34.7
133.06502	46.6
133.10097	13.8
135.04395	11.9
135.08038	21.7
137.05992	6.8
141.07008	8.3
142.07791	12.7
143.08543	25.4
145.06488	25.4
145.10152	18.4
147.08052	23.3
149.06023	9.2
149.09598	9.8
151.07483	9.0
153.06995	4.9
154.07767	6.9
155.04971	4.6
155.08574	13.5
156.09381	8.7
157.06459	7.4
157.10123	29.5
158.07292	8.2
159.08069	29.2
159.11710	21.9
161.05986	78.2
161.09636	16.4
163.07541	29.3
165.06972	6.4
167.08521	8.7
169.06448	6.6
169.10147	22.6
170.10872	10.3
171.08043	16.5
171.11691	26.8
172.08760	7.2
173.05943	7.1
173.09659	33.5
173.13319	9.0
175.07533	16.1
175.11133	4.5
177.05417	4.8
177.09093	7.9
178.09441	3.7
179.07057	8.0
179.08521	9.3
181.10136	9.7
182.07195	5.7
183.08046	15.0
183.11684	22.8
184.08846	5.8
185.06007	5.3
185.09688	24.9
185.13275	10.3
187.07515	19.8
187.11151	14.0
189.09081	12.5
191.07033	5.3
193.10109	3.8
195.08112	5.9
195.11681	7.0
196.08820	8.2
197.09590	38.9
199.07568	18.0
199.11229	21.9
200.11548	4.1
201.09113	16.7
201.12767	8.9
203.07002	6.0
203.10619	6.8
205.08504	7.1
207.11748	9.9
209.06192	8.3
209.09639	6.9
211.07516	11.3
211.11237	7.3
213.05711	4.5
213.09088	24.6
213.12711	9.6
215.06985	9.2
215.10669	18.4
216.11351	6.9
217.08673	10.7
217.12276	10.1
221.09781	6.9
221.13347	4.4
223.07619	4.5
223.11255	5.3
225.05466	4.0
225.09137	21.0
225.12779	5.8
227.10672	10.8
229.08562	6.4
229.12288	8.7
232.12280	5.3
233.11589	5.1
234.14119	4.4
235.11185	9.3
236.11816	4.9
239.10629	6.4
241.08482	18.8
241.12347	5.7
243.10033	28.1
243.13875	5.4
245.15509	5.7
247.09486	6.2
249.12656	6.2
249.16563	6.3
253.08533	6.5
257.08014	21.0
257.11758	8.3
259.09509	19.8
263.14267	6.4
265.10718	5.7
271.09595	6.9
273.11234	4.6
273.15231	4.7
283.10498	4.4
285.11252	28.7
287.14371	4.7
296.11713	4.6
299.10693	4.5
299.14093	4.0
301.10913	7.1
301.15295	3.9
303.12289	42.5
317.15286	5.3
318.87616	4.3
319.11853	14.8
321.18079	4.6
331.16809	7.6
333.18427	7.1
345.14420	4.7
347.16370	5.0
349.17923	5.6
361.12912	22.6
363.14728	8.6
363.19397	4.5
375.15833	7.2
377.17505	6.3
385.14410	4.9
403.15439	15.9
405.20694	5.8
417.11447	4.1
421.16446	11.0
439.17410	13.9
445.16223	9.2
449.15936	5.1
451.21625	5.7
463.17542	25.8
467.17181	7.0
469.18399	32.3
481.18552	100.0
499.19666	82.9
523.19574	4.6
541.21021	22.2
559.21674	13.7
573.23682	12.7
591.24744	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	590.463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85046	0.7
53.03948	1.8
55.01862	0.9
55.05516	7.7
56.27573	0.7
57.03186	1.0
57.03442	12.7
57.07081	24.4
67.05511	12.6
69.03429	1.1
69.07076	7.1
69.18324	5.7
69.18766	3.4
69.65597	0.7
71.04993	1.0
71.08635	17.3
79.05506	7.9
81.03424	51.6
81.07059	17.1
83.04967	2.5
83.08150	1.2
83.08624	17.7
85.06522	1.8
85.10183	9.2
89.06035	2.1
91.05482	12.1
93.07050	6.7
95.04975	13.7
95.08607	15.6
97.02908	0.9
97.10152	5.0
99.08089	0.9
99.11723	1.1
103.07594	1.0
105.07037	9.8
107.04961	3.1
107.08587	3.3
109.06535	2.0
109.10159	7.3
111.08060	3.6
115.48093	0.7
117.07014	1.4
117.20138	0.8
119.04893	1.2
119.08591	7.9
121.06473	1.4
121.10156	5.1
123.08012	0.9
123.11704	2.8
129.07001	5.7
131.08540	4.2
133.06485	1.5
133.10139	4.8
137.09668	1.3
147.08043	3.2
147.11694	6.7
149.09608	3.4
157.10162	6.4
161.13341	1.0
165.12714	1.2
175.11168	7.5
185.13242	0.9
193.10431	1.0
193.12224	19.5
193.13855	1.5
211.13376	1.8
225.15021	0.8
232.44162	0.7
232.92326	0.8
239.23647	2.1
241.19580	1.5
249.14787	2.0
257.24692	1.8
259.20609	2.2
260.20908	1.6
267.15930	100.0
268.16162	1.0
282.91602	0.8
313.27377	91.1
314.27750	2.7
333.24060	1.2
334.24734	1.7
505.38898	73.4
506.38739	1.1
590.48010	3.1
611.08374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.7
57.03433	9.6
57.07080	30.1
67.05515	19.2
69.07057	8.2
71.08640	20.8
71.55212	3.3
75.81510	2.4
79.05503	12.3
81.02986	4.4
81.03426	53.4
81.07066	22.0
83.04975	5.3
83.08621	20.8
85.06577	2.6
85.10186	14.9
85.50659	2.0
89.06028	5.8
91.05479	7.7
93.07039	8.2
95.04984	18.0
95.08610	23.3
97.10169	6.0
105.07049	6.8
107.04938	5.0
107.08607	4.3
109.06545	2.4
109.10148	13.6
111.08083	3.4
119.08572	9.9
121.06473	2.7
121.10137	6.0
129.07014	4.4
131.08557	7.6
133.10136	4.6
135.11731	2.3
147.08102	2.6
147.11682	6.4
149.09668	3.5
157.10100	5.2
175.11224	5.7
179.14359	3.5
193.12230	18.2
201.91890	2.7
249.15265	3.0
267.15939	96.0
313.27374	100.0
313.69595	3.0
389.04843	2.6
503.21127	2.9
505.38907	73.6
590.41235	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	590.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05515	3.4
55.57690	0.3
62.06083	0.6
67.70236	0.4
69.03425	1.6
69.19681	3.5
70.06582	0.6
71.08293	0.4
71.08634	4.9
72.08149	1.1
76.34911	0.4
81.03417	2.4
81.07041	1.2
81.11995	0.4
83.04984	3.8
84.04476	0.4
84.08141	1.1
85.02901	0.9
86.06065	3.8
91.05441	0.4
93.07052	0.5
95.08591	1.5
96.08125	1.9
97.02881	1.2
98.06057	0.9
98.09700	5.7
99.04435	0.5
99.08092	2.7
101.06027	3.3
105.07048	0.5
107.08605	0.6
108.08115	1.4
109.02889	3.1
109.10135	0.4
110.09705	0.6
111.04446	5.8
116.10732	14.9
119.08595	0.5
122.09678	1.8
124.07555	0.6
126.09167	0.7
127.03904	1.7
129.05487	2.5
131.04898	0.5
136.11191	0.7
140.10716	0.6
142.08626	1.4
143.10686	1.5
147.06531	0.6
150.12778	0.4
154.08646	1.9
154.15900	2.8
155.07016	1.7
166.15860	2.0
168.17456	0.7
170.15349	0.4
172.09741	0.9
173.08098	0.7
173.13362	0.4
178.15894	1.4
182.15337	0.4
196.16966	9.4
208.13275	0.8
214.18024	100.0
215.18317	0.6
224.12727	0.6
224.16399	0.4
226.14395	7.0
246.29646	0.5
273.09689	1.2
322.20145	1.6
324.21664	3.1
334.16583	0.5
342.22607	0.6
352.17526	3.5
388.19595	2.9
406.20496	0.6
432.23831	0.5
450.24887	12.1
468.26031	1.6
486.27005	10.4
492.24246	0.7
502.87555	0.4
504.28113	1.7
590.31793	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	590.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	1.6
55.01819	0.7
55.05452	13.3
55.05750	1.3
56.04986	1.0
57.03393	1.1
59.04957	1.6
62.06026	1.7
64.16951	0.6
64.56948	0.5
67.05443	2.0
67.06214	0.7
69.03362	5.2
69.07024	1.2
70.06516	2.1
71.04955	1.2
71.07318	0.9
71.08563	5.8
72.08092	3.2
73.02851	1.2
79.05432	1.9
81.03425	7.0
81.05743	0.8
81.07053	4.5
82.06549	1.0
83.04987	19.7
83.07289	1.0
84.04456	0.7
84.08099	1.3
85.02911	6.8
86.06071	55.7
86.06561	2.4
86.06789	1.7
87.04436	0.8
91.05412	2.6
93.06977	2.5
95.04901	1.1
95.08537	2.5
96.08137	9.7
97.02909	5.1
98.05984	1.2
98.09698	27.4
98.10296	1.0
99.04472	2.9
99.08096	2.9
100.07565	1.4
101.06023	15.3
103.05379	0.6
104.69441	0.6
105.06955	1.2
107.04848	0.6
107.08549	1.4
108.08049	2.3
109.02882	7.8
109.06451	1.0
109.10065	1.1
110.09589	0.7
111.04449	36.8
112.07561	0.7
114.09100	1.8
115.09868	0.7
116.10739	68.6
116.11504	2.4
117.06980	0.7
119.08600	4.4
121.06425	1.0
121.08820	1.4
121.10085	1.2
122.09611	1.8
124.07504	1.7
125.05931	0.8
127.03919	7.2
127.07483	1.1
129.05499	8.6
134.09557	1.7
135.08015	1.0
135.10385	0.6
136.07497	0.7
136.11139	1.4
137.09587	1.1
140.10623	1.9
142.08649	20.5
142.12292	6.4
143.10687	13.7
145.04950	0.9
145.06459	0.7
145.10062	0.6
146.09584	1.0
147.06477	2.1
148.11142	1.0
149.09544	0.8
152.06970	0.9
152.10643	0.9
154.08632	2.8
154.15889	0.9
155.07048	7.9
155.90813	0.7
162.09068	1.2
162.12703	1.3
163.07518	2.9
164.09476	0.9
164.10728	10.5
173.07983	1.9
178.12206	2.1
180.13741	2.7
182.15439	9.8
184.13260	0.9
188.10612	0.9
190.12263	10.5
193.22878	0.6
196.16934	1.0
198.14879	3.8
202.20396	0.6
206.11824	3.6
208.11487	1.0
208.13327	13.8
214.18028	17.6
224.12697	2.4
226.14395	49.0
242.13882	0.7
244.15474	6.6
255.08755	1.1
273.09769	2.1
286.16574	3.7
294.53290	0.7
324.21689	4.4
334.16412	1.6
342.22769	1.1
346.18515	1.0
352.17566	16.7
366.22772	1.7
370.18631	19.5
384.23694	1.2
388.19659	83.8
406.20712	21.4
426.25009	1.3
450.24582	2.8
468.25998	9.0
474.23770	0.9
486.19638	0.6
486.26974	39.4
492.24423	100.0
493.24994	0.9
504.28000	9.1
572.30774	9.9
590.31744	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	590.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75357	0.6
53.03889	2.0
53.66022	0.6
55.01810	0.6
55.05447	13.0
56.04984	0.9
59.04951	1.6
62.06045	1.5
67.05457	1.1
69.03358	5.8
69.03771	1.0
69.07005	1.8
69.22660	4.9
69.23065	1.5
70.06512	2.2
71.04939	1.6
71.07333	1.1
71.08556	4.2
72.08076	3.5
72.26270	0.7
73.02882	0.7
79.05407	2.1
81.03416	7.3
81.06979	4.4
82.06515	1.3
83.04986	15.8
84.88231	0.7
85.02911	5.7
86.06072	48.8
86.06553	2.9
87.04426	1.1
91.05399	2.8
91.05917	0.9
93.06973	2.6
95.08513	1.9
96.08131	9.6
97.02894	4.9
98.05997	1.1
98.09702	25.4
98.10280	1.0
98.20706	1.4
99.04372	2.7
99.08010	2.7
100.07539	0.9
101.06026	12.7
105.06968	1.5
107.04884	1.1
107.08540	1.2
108.08028	2.5
109.02874	5.2
109.06444	1.8
109.10110	0.7
111.04449	33.7
111.07993	0.9
114.09088	1.9
115.05524	0.8
116.10738	58.4
116.11498	2.3
117.06976	1.3
119.08577	3.9
121.06419	0.9
121.08784	1.2
121.10074	1.5
122.09598	2.0
124.07500	1.9
127.03919	6.4
127.07529	1.0
129.05487	8.9
131.04893	0.7
131.08519	1.5
133.10092	1.1
134.09550	2.1
135.08005	1.7
135.10323	0.8
136.11139	1.2
137.09509	1.1
140.10660	1.5
141.09106	0.6
142.08644	15.9
142.12259	5.0
143.10696	12.9
145.04880	0.7
145.06425	1.1
145.10066	1.4
147.06509	1.0
147.07962	1.7
148.11107	1.1
149.09554	0.9
152.07062	1.1
152.10648	1.0
154.08539	2.4
155.07045	6.2
157.09941	1.0
159.11679	0.7
161.09576	0.9
162.09024	1.2
162.12753	1.2
163.07428	2.4
164.10745	8.5
171.11630	1.4
172.09602	0.8
173.08015	2.4
173.09477	0.8
178.12241	2.4
180.13724	2.1
182.15408	8.7
183.11620	1.2
184.13358	0.8
187.86838	0.7
188.10667	1.4
190.12260	8.9
196.16878	1.2
198.14796	2.9
206.11798	3.1
208.11536	0.7
208.13367	13.4
213.12697	1.0
214.18050	16.1
216.45157	0.8
224.12770	2.9
226.14394	46.4
244.15544	5.1
248.42595	0.7
255.08475	0.8
273.09653	2.2
286.16428	2.9
306.20444	0.9
315.58740	0.8
324.21707	2.4
334.16452	1.4
342.23105	0.8
346.18604	1.9
352.17569	16.3
370.18643	15.4
388.19669	75.5
406.20709	19.4
450.24817	2.2
468.25891	8.3
473.22150	0.8
474.23019	1.2
486.27023	32.2
487.27618	0.9
492.24414	100.0
493.24536	1.4
504.27988	8.8
572.30762	8.9
586.66046	0.7
590.31757	22.0
618.47522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.2
53.58129	5.5
55.05512	39.3
67.05484	9.4
69.03436	11.2
69.07085	6.7
69.51282	24.2
69.51709	16.2
71.08622	8.6
72.80518	5.6
79.05483	16.1
81.03409	18.3
81.07044	18.3
83.04977	64.3
85.02905	11.6
86.06057	33.0
91.05479	38.7
93.07034	23.4
95.04981	12.2
95.08630	10.0
97.06548	7.3
98.09705	9.9
99.04488	8.5
99.08103	10.9
101.05975	7.1
103.05458	8.5
105.07047	45.5
107.08581	24.6
109.02866	13.8
109.06525	9.8
111.04465	14.2
116.10694	28.1
117.07024	18.1
119.04942	7.5
119.08585	58.4
121.06457	8.6
121.10143	17.7
125.05936	6.4
127.03912	13.8
128.06226	8.6
129.07013	7.2
131.04951	10.9
131.08562	27.3
133.06450	19.0
133.10123	26.2
135.08054	17.2
136.56982	6.1
142.08664	13.7
143.08539	21.7
145.06500	13.6
145.10162	29.0
147.08055	17.1
149.09647	13.9
155.08609	9.2
156.09352	14.2
157.10138	42.1
159.08034	14.7
159.11713	23.9
161.05943	18.9
161.09605	18.2
163.07510	9.3
167.08476	7.3
169.10112	24.0
170.10847	18.3
171.07996	14.4
171.11731	65.9
172.12070	6.8
173.09601	12.2
173.13257	15.4
175.07550	18.9
175.11148	9.2
177.05510	8.5
177.09076	9.8
179.07085	12.2
179.10582	6.6
181.10086	6.6
182.15511	7.3
183.11726	60.3
185.09566	14.0
185.13255	44.6
187.03889	7.5
187.11206	18.5
189.05396	7.5
189.09097	8.5
193.10152	9.9
195.11653	8.7
197.09583	11.7
197.13274	12.5
199.11157	21.1
201.09239	7.6
201.12639	8.6
206.10823	6.6
207.11769	12.1
209.13167	9.3
211.11150	8.9
213.09131	8.9
213.12793	30.4
214.13100	6.5
214.18027	44.3
215.10760	9.6
217.08571	7.3
217.12274	9.2
219.11752	6.2
219.13742	12.0
221.13188	17.2
223.11211	7.5
225.12759	8.2
226.14378	36.5
227.10785	11.4
229.12300	16.0
231.10063	7.9
231.13828	24.8
233.13367	7.4
235.11076	6.7
237.12846	8.2
243.11739	9.6
244.15469	79.9
249.12712	9.5
258.14038	9.5
259.13354	21.1
261.12698	8.5
263.14130	8.2
272.15485	6.2
273.12909	11.1
273.16147	8.8
277.10782	12.9
277.14380	8.7
283.14758	9.2
285.16159	7.4
286.13370	9.2
287.14154	5.9
301.11804	5.5
315.17380	8.0
327.13895	9.5
327.17429	10.6
329.15317	18.6
331.16830	14.8
342.22870	16.6
343.16992	11.7
345.18445	10.0
347.16269	8.8
355.17596	7.5
359.16660	10.2
361.18024	8.2
363.19644	10.8
373.18066	23.8
377.17236	11.9
389.17474	21.7
391.19141	37.2
401.17337	26.3
407.18359	18.8
409.20013	25.2
419.18405	60.9
425.19412	11.3
432.40060	6.1
437.19586	100.0
455.20767	94.7
462.23285	21.2
473.21667	55.3
492.20749	52.2
530.26477	8.2
537.24579	22.2
555.18451	5.9
555.25952	86.3
573.26990	47.7
590.21704	11.4
590.29834	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	590.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23697	5.0
55.01862	17.3
55.05503	8.2
67.05495	4.9
69.03401	6.6
69.19656	43.6
70.01797	3.7
70.88373	3.9
79.05513	11.3
81.03405	14.1
81.07034	5.0
83.04986	13.2
91.05494	27.0
93.07027	6.6
95.04988	23.2
98.21554	6.5
103.05469	7.5
105.07037	24.0
107.04954	6.2
107.08572	6.6
109.06509	6.3
115.05457	9.0
117.07043	26.0
119.08589	48.7
121.06490	9.9
128.06235	7.4
129.07039	24.1
131.04974	5.8
131.08560	21.0
133.10104	12.5
142.07753	5.7
143.08557	16.8
145.06499	23.1
145.10110	16.9
147.08061	100.0
149.09627	18.3
156.09354	7.5
157.10147	44.5
159.08057	42.9
159.11697	52.2
161.09628	29.5
163.07547	29.0
167.08521	5.6
169.10168	26.6
171.08002	5.8
171.11684	28.2
173.05937	7.7
173.09644	22.5
173.13272	10.7
175.07518	14.3
177.09128	7.3
181.09996	5.7
183.11696	45.6
185.09662	13.4
185.13220	9.0
187.07613	5.4
187.11189	18.3
191.10709	4.9
193.10075	5.1
195.11713	5.5
197.09625	12.6
197.13297	4.8
199.11180	10.6
200.25035	4.4
201.09203	9.0
201.12785	22.2
206.10777	8.3
207.11749	7.2
209.09628	7.4
211.11180	13.7
213.12645	6.4
215.10706	6.3
219.11642	5.4
223.11263	8.5
225.12694	5.9
227.10733	5.2
229.12263	14.5
231.13728	6.8
233.15254	10.4
235.14903	5.9
243.13853	12.5
245.13248	6.2
259.13281	14.0
261.14877	23.1
263.14261	8.6
275.13943	5.1
287.14203	5.2
289.14468	5.6
296.15350	5.7
313.15845	9.0
314.16467	7.3
315.17331	12.7
329.18991	16.4
333.18433	5.5
357.18576	9.0
361.17813	4.9
375.19843	21.3
389.21231	22.6
390.21344	5.6
403.18951	13.9
407.22211	26.5
417.20587	25.4
425.23462	23.4
435.21707	48.7
453.22559	21.1
495.24014	10.3
503.22675	5.6
573.27533	5.8
590.32190	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	590.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
55.01883	21.2
55.05477	2.9
66.65457	2.8
67.05505	5.7
69.03424	6.1
69.33276	22.1
72.45956	2.9
79.05486	12.3
81.03410	11.2
81.07051	6.8
91.05479	34.0
93.07034	10.8
95.04981	15.2
95.08587	3.9
103.05458	6.1
105.03381	7.7
105.07027	18.3
107.04942	12.0
107.08620	5.7
109.06545	7.3
109.10182	2.9
111.04462	2.8
115.05459	9.0
116.06252	3.4
117.07016	24.7
119.08579	35.7
121.06519	6.8
121.10105	2.8
128.06226	4.5
129.07018	27.1
131.04915	6.9
131.08571	30.0
131.30916	2.6
132.05582	2.7
133.06485	5.6
133.10129	15.6
135.08063	9.8
142.07762	5.2
143.08556	11.5
144.05647	4.1
144.09299	3.2
145.06502	19.4
145.10139	17.9
147.08055	100.0
147.09227	4.9
149.09637	16.7
155.08575	9.8
156.09358	7.8
157.10132	39.6
159.08069	78.2
159.11687	32.8
161.06039	3.2
161.09639	26.9
163.07555	50.5
165.06941	3.8
165.09114	3.7
169.10123	23.0
170.10872	3.1
171.08054	7.8
171.11711	25.6
172.08821	4.1
172.11893	2.7
173.05956	4.1
173.09647	28.7
173.13272	10.0
175.07555	17.6
175.11237	4.1
177.09184	3.4
181.10121	4.1
183.11705	35.6
185.09669	14.2
185.13243	10.5
187.07506	4.1
187.11197	20.9
189.09096	4.0
191.10570	4.9
193.10123	5.9
195.11713	5.8
197.09659	15.2
197.13356	4.7
199.11235	15.1
201.09123	10.7
201.12753	16.7
203.10786	4.3
206.64781	2.7
207.11729	7.5
209.09660	5.4
209.13234	5.8
211.11160	14.4
212.11284	3.2
213.12659	3.7
215.10678	8.1
217.10179	3.2
217.12137	6.2
221.13252	8.4
223.11166	8.1
225.12701	7.5
227.10712	6.2
229.12247	21.1
231.13759	6.8
233.15434	12.1
235.11041	5.8
235.14726	5.9
237.12732	6.3
239.14273	4.1
243.13824	8.7
245.09622	4.2
245.15515	4.0
247.11314	3.8
249.12820	4.9
251.14267	3.2
258.14136	5.5
259.13278	6.4
260.11932	3.3
261.12473	3.9
261.14877	10.9
263.14359	6.9
273.12537	4.6
275.14465	4.7
279.13708	3.2
281.15393	3.5
283.00681	3.0
285.12769	5.3
287.14191	4.9
289.14383	5.4
291.13843	4.1
298.13651	3.1
299.14276	7.6
300.15076	5.5
301.15820	3.4
313.15665	5.0
315.17404	17.2
317.15341	5.3
325.15833	3.8
329.18927	17.6
331.16910	5.5
333.18771	13.4
342.16086	4.1
343.16907	10.6
347.20160	5.5
357.18509	13.8
359.16489	3.9
361.18088	5.4
372.20499	6.4
375.19656	16.0
385.17960	5.8
389.21078	26.8
390.21420	6.8
391.22833	7.5
399.19644	3.2
403.19244	13.2
407.22195	23.0
408.22256	3.5
417.20615	17.9
421.20102	5.8
425.23160	6.4
435.21735	56.5
453.16882	4.3
453.22797	40.6
495.23663	6.9
513.24603	14.2
541.24152	4.7
555.25256	3.4
572.26892	11.2
573.26953	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	590.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	11.4
67.05503	7.5
69.03426	11.0
69.07055	5.3
69.21784	43.2
71.20783	4.2
79.05486	10.8
81.03405	5.6
81.07057	13.4
83.04993	20.6
86.15791	4.3
89.65113	4.4
91.05495	27.9
93.07043	16.7
95.04981	5.8
95.08574	7.5
103.05448	8.7
105.07027	35.7
107.08587	11.6
109.06536	6.3
110.42002	4.8
117.07029	17.4
119.08601	42.1
121.06509	7.2
121.10152	7.1
128.06232	6.7
129.07001	6.1
131.04955	19.4
131.08600	21.2
133.06506	17.3
133.10094	23.2
134.06763	4.2
135.08070	9.4
141.06923	6.7
142.07748	6.3
143.08577	17.2
145.06535	11.0
145.10121	17.7
147.08105	24.3
147.11685	6.2
149.09612	10.5
150.10069	4.9
155.08569	6.4
156.09357	11.7
157.06470	5.3
157.10152	53.0
158.10509	5.0
159.08055	19.4
159.11703	24.6
161.05997	20.1
161.09615	10.6
163.07558	9.9
165.06880	6.0
167.08615	4.6
168.09389	5.2
169.10176	19.1
170.10893	10.4
171.08035	11.6
171.11716	69.1
172.11974	5.2
173.06020	9.9
173.09656	17.3
173.13237	9.2
175.07603	12.6
179.08797	4.0
181.10188	7.2
183.11682	43.4
184.12152	7.6
185.09637	15.4
185.13232	39.9
187.07582	6.6
187.11238	14.2
189.09113	9.4
193.08580	6.7
193.10156	8.8
195.11707	11.7
197.09659	10.1
197.13242	7.5
198.10167	4.6
199.11188	20.4
201.09094	6.8
201.12706	12.7
205.10229	5.7
206.10896	6.8
207.11658	13.9
208.12259	7.8
209.09439	4.9
209.13284	8.7
211.11247	17.8
213.08955	4.8
213.12766	48.5
214.18007	13.2
215.10745	6.3
215.14418	5.0
217.12180	4.5
219.11734	10.4
219.13708	5.1
220.12372	5.3
221.13318	4.8
223.11154	7.2
223.14816	5.6
229.12286	11.6
231.10085	7.7
231.13812	11.1
233.13277	5.2
233.15244	6.9
237.16359	5.8
243.13838	10.7
244.12204	5.9
245.13278	5.9
245.15437	17.6
246.13893	5.5
247.11043	5.4
247.14929	6.0
257.13129	5.7
258.14081	7.0
259.14948	8.4
269.13287	7.4
270.14148	8.4
271.14532	4.5
273.12384	4.8
273.14758	25.2
281.13263	4.1
285.12964	4.6
285.16348	7.2
287.13367	4.9
291.15927	9.5
298.13306	4.7
299.18143	5.4
301.15833	7.2
303.13861	7.9
303.17133	5.9
305.15359	6.3
315.13672	5.7
315.17365	6.4
317.19336	4.6
321.18448	5.6
327.17392	6.1
329.15262	7.6
331.16971	11.0
333.18622	6.9
343.16690	6.6
345.18356	8.6
347.16257	8.5
349.17810	6.8
355.16751	6.4
359.16528	11.2
361.18030	7.6
363.19626	6.1
373.18033	16.4
375.19504	6.4
377.17490	11.9
387.19955	4.8
389.17480	10.3
391.19022	16.0
395.18192	9.4
401.17416	6.6
403.19162	6.0
405.20499	14.8
419.18369	13.8
421.20120	20.9
423.21576	24.8
433.20013	21.5
437.19556	12.7
439.20801	10.5
441.22275	6.5
451.21130	64.4
453.22571	5.1
469.22241	100.0
487.23242	13.6
523.22968	5.4
537.24493	5.3
555.25903	16.9
573.26257	6.2
573.93427	5.1
590.34644	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	589.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.3
53.03941	4.3
53.79911	0.7
55.01873	2.1
55.05511	5.0
57.07076	1.3
59.04990	0.9
65.03938	2.2
67.05166	1.1
67.05508	14.0
69.03419	2.0
69.07072	6.0
71.04980	3.1
71.55579	0.8
72.77468	0.6
76.08971	0.6
77.03925	1.5
79.05497	23.6
81.03416	2.3
81.07060	68.3
83.04977	4.3
83.08630	3.3
85.06542	4.6
91.05483	19.9
91.05915	0.4
93.06472	1.2
93.07047	21.8
95.04977	7.2
95.08614	13.7
97.06512	4.3
97.10185	1.6
98.87285	0.7
99.08092	3.0
103.05479	1.5
105.03400	38.3
105.04519	1.8
105.07034	22.1
107.04969	2.1
107.08598	21.8
109.06521	32.7
109.10159	10.9
109.10848	1.3
111.08099	3.5
113.09679	0.7
115.05460	1.9
117.07034	7.7
119.08583	34.9
119.09452	1.7
121.06516	3.5
121.10142	10.7
123.04478	1.1
123.08074	13.0
123.11724	4.2
125.06003	1.1
125.09630	2.5
128.06227	2.9
129.06998	7.0
130.07773	1.2
131.04903	0.9
131.08591	14.2
133.06519	1.5
133.10135	16.5
135.04472	0.9
135.08061	10.8
135.11661	6.1
137.09628	6.5
137.13315	1.1
139.11203	1.4
141.07016	2.8
142.07809	4.8
143.08559	12.9
144.09418	1.6
145.06487	0.9
145.10126	18.3
147.08051	4.9
147.11697	11.9
149.09630	22.0
149.13268	1.8
151.07532	1.2
151.11163	3.5
153.07030	1.9
153.09134	0.7
154.07845	0.9
155.08553	6.5
156.09367	4.9
157.10133	32.5
158.07193	0.7
158.10876	1.7
159.08136	3.1
159.11699	25.0
161.09662	4.0
161.13255	6.9
163.11163	7.9
165.06996	1.3
165.12785	2.0
167.08604	2.6
168.09380	2.3
169.10129	10.9
170.10893	3.7
171.08109	1.4
171.11685	17.1
172.12491	0.9
173.09688	3.7
173.13248	9.3
173.14488	1.0
175.11212	6.5
175.14795	1.7
177.09212	0.9
177.12732	2.7
179.08606	1.4
179.10669	1.8
179.14366	1.6
180.09364	1.1
181.10155	5.1
181.12106	1.7
182.10925	2.3
183.11708	13.7
184.12514	3.1
185.09680	2.4
185.13255	18.1
187.11208	4.6
187.14807	10.2
189.12737	7.2
189.16278	1.0
191.10658	1.7
191.14365	2.5
193.10173	1.7
193.12283	6.1
194.10883	1.4
195.11656	5.7
196.12573	0.8
197.09709	1.6
197.13287	9.4
198.14030	1.3
199.11227	4.4
199.14851	6.2
200.11969	1.2
201.12749	13.6
201.16402	3.0
203.14304	12.8
205.12257	1.7
205.15860	0.8
206.10902	1.3
207.11710	3.2
208.12509	2.3
209.13257	6.1
210.14084	1.1
211.11179	1.5
211.14796	9.2
212.15573	1.6
213.12805	4.4
213.16388	1.6
215.14346	5.2
217.15878	1.0
219.11803	0.9
219.13869	1.8
220.12541	1.3
221.13255	4.9
223.14941	4.3
225.12952	4.6
225.16391	8.2
226.17180	3.7
227.14305	3.6
227.17949	61.9
229.15906	5.5
231.13817	0.9
231.17473	1.0
233.13286	1.9
235.14870	1.0
237.16437	2.5
239.14240	1.6
241.15842	3.7
241.19514	0.9
243.13893	1.8
243.17487	8.2
244.18234	2.9
245.15488	1.3
245.18993	19.9
247.14867	1.5
249.16414	1.5
251.14401	1.4
251.18039	3.2
253.15948	1.8
254.16675	1.0
255.17441	1.1
257.15350	1.0
259.17184	1.4
261.16495	1.3
265.16098	1.5
265.19513	1.9
267.17490	3.1
269.19022	14.4
271.17178	1.3
271.20587	2.0
273.16104	1.2
273.18781	0.9
275.18027	1.4
279.17422	2.0
281.18997	0.9
285.18552	2.8
287.20071	43.2
291.17548	2.0
291.20996	1.4
293.18994	2.2
295.20563	1.0
297.18213	0.9
307.17365	0.8
307.20566	2.7
307.23776	0.9
309.18637	1.2
309.22104	6.5
319.20691	1.0
323.23654	1.0
327.23309	2.1
333.22034	2.4
335.20093	0.8
335.23660	9.9
349.25354	6.0
351.23151	12.3
351.29926	0.9
353.24777	7.4
359.23740	1.8
365.24606	1.2
367.26389	2.1
377.24704	16.5
395.25845	26.6
409.23572	1.1
423.28790	1.0
431.29550	2.5
449.30423	5.0
467.31610	3.0
487.28711	1.2
499.28458	9.1
517.29523	100.0
518.29993	1.2
523.18060	0.8
524.69940	0.7
571.34088	2.1
589.35022	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01633	4.4
53.03941	5.8
55.01868	16.9
55.05508	13.3
57.03432	5.8
57.07081	27.5
65.03967	7.1
67.05497	14.6
69.03417	14.8
69.07088	6.9
79.05503	41.6
81.03424	10.9
81.07066	19.9
83.04983	16.7
85.06525	5.1
89.42893	4.4
91.05477	50.3
93.07056	40.5
95.04976	18.4
95.08605	17.9
97.06512	5.2
103.05461	39.5
105.03408	10.7
105.07040	64.7
107.04997	9.8
107.08605	26.7
109.06490	13.7
109.10175	5.5
115.03897	7.3
115.05464	13.9
117.07030	30.4
119.08587	68.1
121.06491	11.3
121.10160	18.5
123.08113	9.3
128.06235	14.6
129.06984	26.6
131.04933	84.9
131.08582	46.2
133.06505	17.6
133.10135	74.6
135.08055	30.9
141.07021	10.0
142.07817	17.6
143.08556	39.4
145.06497	24.1
145.10124	38.2
147.08064	57.0
147.11723	6.3
149.09642	44.5
153.07047	7.1
154.07811	6.4
155.08548	20.5
156.09358	19.4
157.10133	85.1
158.07280	5.4
159.08099	37.5
159.11729	37.7
161.05981	9.0
161.09628	50.2
163.07576	40.1
163.11240	6.5
165.07025	9.6
167.08623	8.7
168.09341	11.9
169.10098	41.9
170.10870	21.8
171.08046	18.5
171.11696	100.0
172.08946	5.3
173.09656	36.2
173.13260	17.3
175.07536	15.4
175.11227	13.1
177.09091	8.2
179.08565	7.2
180.09328	13.4
181.10161	17.2
182.10858	9.2
183.08022	14.1
183.11705	77.4
184.08885	9.4
185.09651	30.3
185.13277	69.4
187.07593	10.6
187.11189	29.9
187.14851	6.1
189.09209	10.5
191.06960	5.1
191.10703	11.8
193.08604	5.3
193.10126	16.4
194.10905	10.3
195.08104	7.8
195.11711	25.1
197.09659	17.6
197.13297	22.2
198.10445	9.0
199.11183	40.0
200.11986	6.1
201.09235	8.7
201.12746	17.0
203.08684	7.4
203.10664	8.8
203.14273	9.5
205.10275	6.5
205.12282	9.0
206.10916	9.7
207.11710	28.5
208.12592	8.5
209.09702	13.1
209.13235	12.2
211.11253	20.8
211.14757	6.1
213.09119	5.6
213.12752	52.0
215.10689	6.6
215.14391	14.5
216.09384	6.4
217.10281	9.8
217.12242	11.4
218.10930	6.8
219.11801	10.4
219.13770	11.1
220.12485	11.2
221.09743	6.4
221.13309	24.6
222.14029	5.6
223.11194	15.1
223.14957	8.3
225.12717	14.9
227.10593	12.9
227.14421	5.5
229.12256	29.6
230.10892	5.9
231.11678	19.5
231.13870	24.5
231.15872	6.3
232.12558	12.1
233.13284	22.7
233.15419	9.9
234.10368	9.4
235.11192	10.1
235.14882	13.2
237.12718	13.5
239.10616	6.8
239.14406	7.0
241.12318	18.8
242.10936	5.4
243.11678	10.4
243.13864	20.3
244.12424	7.2
245.13289	14.7
245.15453	14.6
246.13969	9.0
247.11165	6.0
247.14937	16.8
249.12790	7.3
249.16408	15.0
251.14243	9.1
256.12521	5.5
257.13248	8.1
258.14072	12.2
259.13000	8.0
259.15161	9.8
261.12704	9.2
261.16443	14.6
263.14194	9.0
263.18118	8.3
264.11859	5.5
265.15897	6.9
270.14093	9.9
271.10693	5.6
271.14838	11.1
272.12042	5.4
273.12463	6.5
273.14990	10.7
275.14120	9.5
277.16074	7.9
282.13959	6.3
285.16479	6.0
286.13251	5.4
287.14352	11.7
287.17981	8.8
289.16071	8.0
291.16141	5.9
291.17630	7.3
293.19022	9.9
299.14227	5.7
300.15036	6.7
301.15759	10.2
303.17303	14.7
305.19122	11.3
309.18500	6.0
313.15796	18.4
315.17343	14.3
317.18945	7.1
319.16956	12.3
321.18402	9.2
323.20038	6.2
329.19150	12.1
331.16843	9.7
333.18439	15.2
337.18021	14.0
345.18408	9.8
347.16211	11.9
347.19995	11.4
349.18015	23.8
351.19424	10.0
359.16254	11.5
359.20297	6.6
361.18005	16.0
363.19543	14.7
367.19022	6.8
369.20691	8.7
371.20013	14.5
373.18115	20.8
375.19473	17.3
377.17310	19.4
377.21408	10.2
387.19608	10.4
389.21259	22.8
391.18994	26.4
393.20590	8.1
395.18192	7.0
401.17435	13.8
405.20517	16.8
407.22302	9.9
409.20062	17.5
419.18417	28.0
421.19885	10.9
423.21646	39.0
433.20071	18.9
437.19595	19.7
439.21432	6.1
441.22531	13.9
451.21255	44.6
455.20755	9.3
469.22324	33.7
487.23114	17.5
549.24689	5.7
571.27301	8.5
589.29279	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	589.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01885	1.8
55.05512	3.0
60.46697	1.1
67.05484	2.4
69.03418	2.0
69.07072	1.7
77.03921	1.9
79.05490	4.5
81.03405	2.2
81.07033	5.0
83.04986	4.0
85.02891	1.5
91.05485	7.5
93.07049	7.3
95.04958	4.9
95.08592	5.8
97.06520	1.9
103.05471	45.4
105.04510	2.1
105.07050	10.8
107.04944	1.9
107.08588	7.7
109.06510	3.9
109.10168	1.7
111.04408	1.9
115.05432	3.1
117.07019	5.3
119.08597	14.2
121.06552	3.0
121.10126	2.8
123.08060	1.8
128.06216	3.1
129.06985	4.3
131.04935	100.0
131.08560	8.1
133.06479	5.0
133.10156	8.3
135.08034	5.5
137.05980	2.3
141.07031	2.3
142.07745	2.9
143.08548	8.5
145.06491	8.4
145.10158	7.9
147.08037	3.4
147.11694	1.6
149.06096	1.4
149.09613	2.9
153.06940	2.6
155.08539	5.1
156.09322	4.8
157.06479	1.6
157.10117	11.6
159.08067	7.3
159.11671	5.5
161.05994	3.3
161.09618	4.2
163.07420	1.5
163.11121	1.6
165.06975	2.6
166.07704	2.3
167.08611	2.5
168.09308	2.7
169.10144	8.0
170.10951	2.2
171.08037	2.2
171.11699	11.1
173.09680	6.8
173.13246	1.4
175.07481	2.3
175.11197	2.4
177.09126	4.2
179.08539	2.8
180.09329	2.3
181.10120	4.3
182.10901	2.4
183.11714	10.0
185.09630	3.8
185.13202	6.5
187.07527	4.4
187.11154	4.1
189.09058	2.3
191.08586	1.5
193.10112	5.5
194.10866	3.0
195.08018	2.0
195.11760	7.2
196.12273	1.7
197.09581	5.7
197.13234	3.6
199.11203	6.1
200.11780	1.5
201.09085	2.2
201.12752	2.1
205.06781	1.4
205.10129	3.2
206.10843	2.3
207.11703	5.2
208.12459	1.9
209.09482	2.9
209.13272	4.3
211.07626	1.8
211.11116	5.5
211.14821	3.3
213.09192	1.6
213.12759	8.6
213.32266	1.3
215.10620	1.6
215.14323	1.8
217.10236	2.0
217.12187	1.8
218.10918	1.6
219.11700	2.8
220.12363	2.3
221.09561	1.4
221.13251	4.6
223.11125	3.1
223.14694	3.0
225.09070	2.6
225.12787	1.5
229.10126	1.8
229.12178	2.5
230.10915	1.6
231.11652	4.2
231.13751	3.0
232.12431	3.0
233.13226	5.8
234.14143	1.7
235.11151	1.5
235.14861	3.5
237.12785	2.1
239.10733	2.6
243.11652	3.3
243.13828	3.1
245.13232	5.2
246.14014	2.5
247.11099	2.7
247.14804	6.4
248.15747	2.1
249.16191	1.5
250.13441	1.9
251.14247	3.4
256.12439	2.1
257.13239	2.2
258.14008	2.4
259.11133	1.6
259.14960	2.9
260.15671	2.8
261.12753	2.9
261.16388	2.0
263.14334	3.5
265.15967	1.5
269.13092	1.9
271.14777	3.0
273.16510	1.8
275.17880	2.9
277.16034	1.6
281.13080	1.9
285.16376	3.5
287.14261	3.1
289.15820	3.1
291.17279	3.4
293.15384	2.2
299.14038	2.1
303.17374	1.9
304.18137	3.0
305.15262	2.4
305.18854	1.6
307.17059	2.4
317.11755	1.9
317.15201	1.9
321.18539	2.9
322.18878	1.9
329.15256	3.8
329.18845	2.3
331.16870	4.1
331.20523	1.8
333.14828	9.0
333.18204	2.2
339.19388	2.6
343.16837	1.8
345.14734	2.7
345.18549	1.8
347.16312	1.9
349.17953	2.1
357.18152	9.1
359.20004	5.8
363.15948	3.9
369.18375	2.7
375.19388	6.4
377.20963	4.4
381.16895	4.0
387.19611	18.0
391.18933	2.2
395.21997	1.6
405.20624	25.2
423.21695	19.9
436.22162	1.5
441.22733	11.0
469.22101	2.1
529.23602	2.0
571.26801	5.3
589.26965	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	589.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54102	2.4
53.03939	4.9
55.01867	3.2
55.05499	9.6
57.07076	4.0
62.33968	2.4
65.03937	2.8
67.05490	10.5
69.03408	8.5
69.07063	9.1
69.20044	25.5
71.04984	2.3
71.08632	4.4
71.71033	2.2
74.50951	2.7
77.03925	2.9
79.05486	16.8
81.03410	6.9
81.07063	15.6
83.04996	15.2
83.08585	4.7
86.06083	3.0
91.05476	20.9
93.07034	22.0
95.04971	14.0
95.08592	16.8
97.02873	2.8
97.06509	4.8
98.20788	6.3
99.04464	3.2
103.05473	43.0
105.07027	29.5
105.50845	2.5
107.04951	9.0
107.08593	15.9
109.02899	4.0
109.06517	9.4
109.10165	10.3
111.04454	5.6
113.06049	2.5
115.05470	5.5
116.10723	9.4
117.07003	10.9
119.04951	3.9
119.07793	3.6
119.08590	30.7
121.06502	11.5
121.10130	10.2
123.08043	4.2
125.05973	5.5
128.06230	4.3
129.06990	11.6
131.04929	100.0
131.08609	13.9
133.06476	11.6
133.10130	18.1
135.08046	5.7
135.11685	4.2
137.05960	6.5
141.07007	5.8
142.07767	7.2
143.08568	17.9
145.06473	15.2
145.10107	15.0
147.08026	13.5
147.11681	5.3
149.06012	3.8
149.09555	7.1
155.08507	10.7
156.09300	10.9
157.10141	27.0
159.08060	13.7
159.11690	16.4
161.05962	9.8
161.09599	8.9
163.07521	9.3
163.11179	2.7
165.06967	5.5
167.08578	5.0
168.09312	4.7
169.10173	19.8
170.10965	4.5
171.08038	8.1
171.11713	30.3
173.06010	4.2
173.09642	14.3
173.13210	7.7
175.07541	4.5
175.11186	5.1
177.09081	3.6
179.10626	3.4
181.10118	9.3
183.07986	4.9
183.11671	23.0
185.09683	9.9
185.13226	15.4
187.07536	7.0
187.11124	7.3
189.09146	6.2
189.16386	3.2
192.09346	3.8
193.10172	7.9
195.08110	3.2
195.11726	12.2
196.17044	4.0
197.09633	9.6
197.13252	9.5
199.07588	3.4
199.11203	14.7
200.11850	4.3
201.09065	4.0
201.12592	3.3
203.10709	3.1
205.10165	5.5
206.10977	6.0
207.11722	8.3
208.12390	3.7
209.09612	5.3
209.13281	11.4
211.11223	9.8
213.09116	3.3
213.12726	19.8
214.18042	37.0
215.10802	3.4
217.10162	4.1
217.12158	3.0
218.10870	4.1
219.11684	3.0
221.09804	3.8
221.13260	9.1
223.11128	6.7
223.14764	5.9
225.12746	6.1
227.10707	6.3
227.14371	3.6
229.12173	5.8
231.11662	9.6
231.13792	6.3
232.12396	5.7
233.13226	8.5
233.15312	3.8
235.11061	4.8
235.14850	6.9
237.16229	3.3
239.10699	3.4
241.12247	4.2
243.13806	5.8
245.13359	6.5
245.15448	6.1
245.72809	2.8
246.13924	4.1
247.14832	7.1
249.12630	3.9
249.16344	6.6
253.12280	3.2
256.12555	2.9
257.13400	3.0
260.11945	2.9
260.15738	4.1
261.12650	5.5
261.16467	4.4
263.14307	4.3
264.11572	2.6
265.15887	4.8
269.13071	3.6
271.14676	4.5
273.14948	8.3
275.14481	3.9
275.17993	4.3
285.16257	4.5
286.13455	3.3
287.14252	5.8
301.15894	3.7
303.13934	4.1
303.17194	4.4
305.24658	5.9
307.17053	4.4
313.15842	3.3
315.17419	3.3
321.14755	3.1
321.18460	3.7
323.25812	7.3
329.15347	5.2
330.15918	4.0
331.16916	5.4
333.14847	10.7
333.18439	5.2
335.16293	4.6
335.19852	3.7
343.16669	4.2
349.17926	3.7
357.18546	7.4
359.16162	3.7
359.20059	5.3
361.17865	3.2
363.19534	5.3
367.22824	3.4
369.18350	3.6
373.17731	3.5
375.19598	5.4
377.21402	5.3
387.19565	11.6
391.18777	3.6
393.20676	4.3
405.20776	18.5
419.18463	4.5
423.21701	23.4
437.19937	3.5
441.22571	11.5
450.25031	3.5
451.21353	3.4
459.27304	18.3
469.21991	6.2
477.80432	2.8
486.27209	3.0
571.26794	3.4
589.27380	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	589.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20941	0.7
53.03936	1.8
55.01863	1.7
55.05517	3.4
64.71478	0.7
66.57156	0.6
67.05507	3.0
68.17835	0.7
68.90958	0.6
69.03429	1.9
69.07079	1.0
71.04994	0.7
71.55323	1.1
79.05506	3.9
81.03391	1.8
81.07065	3.4
83.04977	2.2
83.08627	0.8
91.05499	5.8
93.07046	4.8
93.07543	0.7
95.04979	5.0
95.08605	2.9
97.02921	1.0
97.06508	1.0
102.04681	1.1
103.05476	48.9
105.03400	4.9
105.04525	0.9
105.07034	7.4
107.04961	2.2
107.08607	4.0
109.06517	2.2
109.10150	1.2
111.04443	0.7
115.05472	2.6
117.07007	5.2
119.08593	9.8
121.06494	2.0
121.10146	2.1
123.04398	1.1
123.08094	0.9
128.06183	1.8
129.07030	3.5
131.04936	100.0
131.08582	7.6
133.06500	3.1
133.10146	6.2
135.08058	2.9
135.11755	0.8
135.27933	0.7
137.05948	1.1
141.07022	1.5
142.07793	2.5
143.08551	6.0
145.06506	5.5
145.10143	5.2
147.08041	4.3
147.11763	1.3
148.83556	0.7
149.09650	3.3
151.07478	1.1
153.06990	1.2
155.08565	4.3
156.09390	4.3
157.06520	1.3
157.10138	7.5
158.07236	0.7
159.08038	6.7
159.11682	3.9
161.05988	2.3
161.09541	3.2
161.13210	0.8
163.07538	3.2
163.11194	1.5
165.06996	1.4
166.07733	1.0
167.08583	1.7
168.09369	1.4
169.10146	5.5
170.10915	1.7
171.08055	2.4
171.11714	11.2
172.08931	1.0
173.06026	1.4
173.09665	4.1
173.13260	2.7
175.07591	2.3
175.11143	1.2
177.09128	2.6
179.07086	1.1
179.08444	1.3
179.10765	1.2
181.10139	3.1
182.11002	0.7
183.08066	2.0
183.11720	8.2
185.09637	3.2
185.13293	4.5
187.07570	2.4
187.11177	2.8
189.09129	2.0
189.12811	0.8
191.07018	0.8
192.09456	0.9
193.10170	2.7
194.11031	1.1
194.17763	0.7
195.08119	1.5
195.11702	4.0
196.08849	0.9
196.12514	0.8
197.09604	2.3
197.13284	3.1
198.10443	1.1
199.11166	5.3
200.11977	1.2
201.09192	1.1
201.12769	2.4
203.08580	1.1
204.09265	1.4
205.10216	1.3
205.12224	0.9
206.10901	1.7
207.11714	4.4
209.09677	1.3
209.13309	2.7
211.11211	2.8
213.09116	1.3
213.12718	5.3
215.10718	1.5
215.14392	1.0
217.10281	1.1
217.12280	1.3
218.10826	0.9
219.11792	1.9
220.12515	1.7
221.13260	3.6
223.11208	1.9
223.14851	1.9
225.09039	1.0
225.12813	2.1
227.10661	1.7
229.10216	1.0
229.12282	2.0
230.10913	1.1
231.11716	2.2
231.13898	2.9
232.12427	1.5
233.13303	2.5
234.14026	1.0
235.11172	1.6
235.14832	1.7
237.12848	2.0
239.10715	1.1
239.14301	1.3
241.12283	1.4
243.11670	1.8
243.13879	2.5
244.12573	1.3
245.13191	3.0
245.15468	2.3
246.14047	2.4
247.11151	1.5
247.15070	3.5
248.15543	0.8
249.12839	1.7
249.16542	1.2
251.10721	1.0
251.14413	1.5
255.11664	1.0
255.13948	0.8
257.13275	2.0
259.14899	2.3
260.15591	1.1
261.12695	2.1
261.16428	2.0
263.14255	1.4
263.18256	0.8
265.12497	0.9
265.15775	0.8
268.12463	1.2
269.13263	1.5
270.14035	1.1
271.14859	1.7
271.53525	0.9
272.15656	1.2
273.14905	0.7
275.10635	0.8
275.14511	1.1
275.17981	2.2
277.15869	1.5
282.13986	1.0
283.14667	1.5
285.12912	1.2
285.16345	1.6
286.13782	0.9
287.14404	1.1
287.17828	1.3
289.12170	0.8
291.13812	0.7
291.17450	2.2
295.16962	1.0
297.16089	0.9
299.14362	1.1
300.14896	0.7
301.12442	0.9
301.15887	2.1
303.13821	0.9
303.17392	2.6
305.15350	1.2
307.16806	0.9
313.15671	1.0
315.13992	0.8
315.17548	1.3
317.15485	1.7
319.17001	1.4
321.18484	1.8
322.19415	0.9
327.17691	1.2
329.15469	3.6
329.18945	1.2
331.16998	2.9
331.20404	0.9
333.14883	4.7
333.18390	1.3
339.19565	2.2
340.14941	0.8
341.18979	1.1
343.16888	2.6
345.14746	1.4
345.18350	1.6
347.16364	2.2
349.17929	3.0
351.19516	1.1
357.18338	4.6
359.16245	1.0
359.20139	3.6
361.18085	1.9
363.15796	1.7
363.19763	2.1
369.18436	1.4
371.16632	1.0
373.17865	1.2
375.19733	3.5
377.21442	3.5
379.18854	1.2
381.16931	1.4
387.19510	9.2
389.17172	0.8
391.18735	1.2
393.20627	1.6
395.22498	1.1
403.19052	1.4
405.20651	13.2
409.20093	0.9
419.18674	1.2
421.19568	1.0
423.21695	14.0
441.22864	6.7
449.19751	1.0
451.21146	1.3
469.22177	1.1
529.24420	1.0
547.00970	0.8
571.26886	2.2
589.26898	2.1
589.34894	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
55.01866	5.1
55.05515	4.6
60.50597	2.7
62.21154	2.5
67.05496	11.5
69.03431	11.0
71.55409	3.9
79.05490	12.6
81.03442	12.2
81.07059	9.1
83.04971	2.3
85.02914	19.2
91.05493	13.7
93.07064	10.3
95.04971	34.6
95.08615	9.0
102.75760	2.4
103.05466	5.7
105.03397	58.1
105.07029	13.3
107.04952	7.0
107.08602	10.0
109.06532	11.7
109.10147	4.2
111.04523	3.0
117.07058	5.8
119.08580	16.4
121.06497	8.9
121.10149	5.8
123.08067	2.9
128.06259	4.0
129.06996	6.9
131.04901	8.9
131.08569	7.9
133.06447	5.8
133.10121	9.8
135.08086	8.5
141.06992	5.1
142.07779	9.8
143.08565	15.1
145.06485	18.8
145.10162	11.5
147.08040	10.5
147.11731	3.8
149.09694	4.3
153.06981	2.6
154.07762	3.5
155.08542	7.2
156.09312	7.1
157.10147	17.3
159.08086	7.0
159.11670	9.9
161.09610	11.0
163.11264	2.7
165.07040	2.7
166.07706	2.5
169.10138	25.4
170.07207	4.7
170.10742	3.3
171.08083	5.0
171.11694	9.8
173.09618	7.5
173.13228	3.1
175.11180	4.1
179.08527	4.8
181.10089	7.3
182.10887	2.9
183.08020	3.7
183.11665	12.9
185.09619	20.9
185.13240	8.6
187.11156	8.8
192.09299	3.9
193.10098	10.1
195.11696	8.0
197.09666	6.0
197.13264	7.2
199.11240	3.3
205.10153	3.4
206.10872	8.8
207.11739	6.3
209.09598	6.8
209.13271	10.3
211.11192	6.6
211.14833	12.4
213.12735	9.7
215.10658	5.3
216.09352	4.3
217.10178	5.2
219.11761	8.5
220.12444	5.5
221.13248	19.6
223.11195	5.4
223.14844	7.3
225.12714	3.7
225.16286	2.7
229.10201	3.4
231.11667	7.3
232.12538	3.9
233.13245	10.2
234.10387	2.7
234.13994	4.5
235.11194	3.7
235.14827	8.9
236.12001	3.0
237.12735	6.3
239.14272	5.7
243.11769	5.0
244.12460	5.0
245.09772	2.5
245.13263	8.0
246.14151	5.7
247.14757	5.7
249.12775	5.7
249.16342	10.3
256.12424	5.6
257.09680	3.2
257.13278	4.7
259.11194	3.6
259.14828	3.4
260.15674	4.5
261.12738	5.7
261.16458	3.8
263.14124	3.5
269.09784	3.7
269.13147	3.9
270.10504	2.8
270.14026	4.4
271.11108	4.2
271.14734	3.1
272.11847	4.6
273.12701	8.7
273.15982	2.6
275.17923	8.1
277.15768	4.8
284.12088	5.3
284.15533	3.1
285.12686	7.5
286.13510	7.8
287.14359	7.1
291.17157	3.2
293.22382	4.3
297.12845	3.3
298.13419	3.5
299.14386	4.2
300.14951	4.8
301.15839	6.3
303.17322	4.9
305.15228	6.6
305.18848	5.1
307.17215	3.5
312.14767	3.5
313.15942	9.8
314.16833	3.5
315.14047	4.7
315.17413	15.9
317.18927	7.2
327.17358	7.3
328.18207	3.7
330.15967	4.6
331.16824	4.9
333.18332	6.0
335.19894	15.1
343.17026	2.6
343.20569	54.0
345.18515	100.0
353.18933	8.7
361.21625	41.2
363.19272	3.2
363.26910	4.6
371.20056	19.9
389.21140	35.4
406.21057	2.6
407.22202	35.1
502.86597	2.5
589.27454	10.7
589.36237	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	589.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.9
55.01860	5.0
55.05507	3.6
64.46229	1.6
65.03900	1.7
67.05510	8.2
69.03405	5.8
69.07065	3.3
69.39521	7.3
69.39929	3.5
77.03909	1.7
79.05489	11.4
81.03417	7.8
81.07035	7.1
83.04963	5.7
88.26287	1.5
91.05470	17.2
93.07046	7.0
95.04965	16.8
95.08590	5.4
96.25083	1.6
97.06509	4.0
98.20807	4.0
103.05479	3.8
105.03395	100.0
105.04514	4.2
105.07030	13.4
107.04974	5.2
107.08590	11.2
109.06508	5.0
109.10138	4.1
115.05470	5.7
117.07022	7.9
119.08579	17.0
119.87141	1.6
121.06481	4.9
121.10127	2.1
123.04405	2.4
123.08053	3.0
128.06242	3.8
129.07047	8.4
130.07817	2.3
131.04918	4.0
131.08551	8.5
133.06491	5.4
133.10139	9.7
135.08076	17.4
135.11717	1.9
135.39613	1.5
141.06960	3.4
142.07793	4.6
143.08545	6.7
144.50888	1.7
145.06514	5.0
145.10144	7.9
147.08055	27.6
149.09628	3.9
151.07515	3.2
155.08517	3.0
156.09343	4.4
157.10094	10.6
159.08061	6.4
159.11670	3.4
161.09598	7.9
163.07552	3.4
165.07040	2.3
167.08592	2.6
168.09331	1.9
169.06477	1.9
169.10136	7.7
170.10825	2.4
171.08023	6.3
171.11700	16.0
173.05988	3.7
173.09637	8.4
175.07544	16.6
179.08505	3.5
180.09366	2.1
181.10085	4.4
182.11044	2.3
183.07912	2.0
183.11720	7.2
185.09598	4.5
185.13208	6.6
187.07550	2.5
187.11130	4.7
187.14755	2.4
189.09044	2.6
191.10583	2.3
192.09401	1.7
193.10117	5.2
194.10818	2.7
195.11699	6.4
197.09639	4.1
197.13277	8.7
199.11215	10.7
201.12798	3.5
205.10132	2.7
207.11754	5.3
208.12581	2.0
209.09621	1.9
209.13216	3.1
210.10303	1.9
211.11198	3.6
213.12718	7.1
215.14323	3.9
217.10158	2.3
217.12213	1.9
219.11708	3.7
220.12408	3.9
221.09610	1.9
221.13275	4.8
223.11174	11.9
223.14783	3.5
225.12740	6.2
227.10605	2.2
229.12300	3.8
232.12425	2.2
233.13304	2.4
235.11244	2.5
235.14922	3.9
237.12772	5.0
239.14218	2.5
241.12247	1.8
243.11655	3.8
243.13812	2.5
246.14063	1.8
247.14752	4.3
248.11909	1.7
249.12744	3.2
251.10651	4.7
251.14333	5.4
255.13811	3.8
259.10962	2.3
261.12711	2.3
261.16162	1.9
263.14291	5.6
265.15845	3.4
267.13821	5.2
267.17465	3.4
273.12616	3.8
275.17978	2.1
277.12402	2.2
277.15894	2.1
287.14258	2.3
289.15671	2.1
293.15427	2.3
295.16983	7.1
298.13547	2.0
299.14352	3.3
301.15845	3.4
303.17365	2.9
309.80966	1.6
312.15060	2.0
313.15820	4.7
314.16394	2.2
315.17371	3.5
321.18216	2.1
323.14124	2.7
327.17172	3.7
328.18243	2.2
329.18875	3.8
331.16934	4.3
338.16629	3.8
341.15204	3.8
341.19144	2.2
343.20554	4.2
345.18118	3.0
347.19897	4.3
353.19034	3.9
355.19034	2.0
356.17694	2.5
359.19974	3.7
361.21823	12.2
363.19614	5.2
363.26950	2.0
365.21188	2.7
371.20065	33.9
389.21118	62.6
407.17590	2.0
407.22238	21.5
431.22263	3.3
449.22992	5.3
467.23853	3.2
493.23691	5.2
511.24750	2.5
571.26996	14.6
589.26923	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	589.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60831	3.9
53.03939	14.2
55.01862	16.6
55.05515	8.4
60.98938	4.7
67.05504	11.3
69.03421	11.1
69.07066	13.2
73.71654	4.2
77.03940	5.0
79.05489	14.8
81.03408	12.7
81.07054	8.5
82.34671	3.6
83.04985	10.3
91.05485	35.5
93.07038	18.6
95.04994	31.3
95.08604	13.0
97.06509	5.2
98.21539	9.3
98.87947	3.3
103.05439	6.8
105.03398	100.0
105.04490	6.6
105.07037	30.2
107.04955	7.8
107.08596	18.0
109.06519	5.3
109.10201	4.3
109.37472	4.2
115.05450	8.7
117.07065	19.2
119.04971	7.3
119.08577	37.8
121.06516	12.8
121.10125	7.2
123.08044	4.7
128.06223	12.4
129.07051	25.4
131.04942	16.5
131.08563	31.7
133.06477	17.0
133.10172	26.0
135.08026	8.2
141.06999	13.2
142.07765	7.4
143.08583	36.1
145.06497	16.9
145.10152	21.0
146.07257	6.0
147.08060	44.7
149.09660	7.7
153.07045	6.1
154.07790	6.1
155.08571	15.8
156.09367	11.5
157.06497	5.8
157.10150	25.1
158.07285	6.8
159.08047	30.4
159.11676	14.5
161.09624	77.3
165.07008	9.1
165.09145	8.2
166.07819	5.8
167.08578	13.0
168.09406	9.4
169.06479	7.7
169.10141	15.8
170.10884	7.7
171.08121	20.3
171.11728	31.2
173.06042	5.7
173.09654	24.7
173.13249	7.8
175.07574	5.3
175.11174	6.9
178.07706	5.1
179.08557	6.8
181.06453	6.8
181.10237	9.6
182.07407	5.4
182.10922	5.3
183.08112	9.3
183.11719	31.4
184.08835	4.8
185.09656	38.4
185.13234	12.9
186.10342	9.8
187.07582	22.3
187.11166	14.4
189.09117	5.4
191.35638	4.3
193.10121	15.2
194.10945	4.9
195.08080	4.0
195.11687	18.1
196.08824	18.2
197.09642	14.9
197.13298	9.2
199.11237	22.5
201.12672	19.1
203.08516	6.3
203.10501	5.3
204.09196	4.0
205.10025	4.8
206.10954	4.5
207.11760	12.9
208.08800	7.2
209.09644	11.1
209.13336	4.9
211.11191	44.5
213.12767	19.0
215.10680	7.0
217.10136	4.6
219.13864	4.4
221.09518	4.4
221.13240	9.0
223.11299	24.7
223.14871	3.8
224.12143	4.7
225.12794	12.2
229.10187	10.7
229.12239	73.8
229.55219	4.5
230.10855	8.5
231.11713	6.3
232.12500	4.6
233.09650	5.2
233.13257	9.5
235.11203	7.3
235.14848	7.0
237.12605	7.0
241.10135	4.8
243.11688	11.0
245.13266	7.6
247.11140	9.1
247.13222	6.7
248.12018	6.7
249.12805	11.0
253.10057	4.8
254.82678	4.0
255.11684	6.5
256.63812	3.8
257.13376	5.4
259.11172	7.4
259.14871	7.2
261.12869	5.4
262.13507	6.4
263.14279	11.6
269.13257	8.9
270.13962	4.5
271.15073	5.4
273.12656	8.8
274.13538	5.7
275.14349	6.0
277.15833	5.2
281.12970	5.2
283.11295	7.5
285.12488	5.0
287.14331	13.1
289.14569	7.8
297.12643	12.9
298.13571	6.4
301.12466	5.6
301.15701	10.0
303.17368	5.7
309.12805	7.3
311.14365	9.8
312.15170	8.1
313.15945	15.7
323.14236	7.9
324.15137	5.4
325.15952	9.2
326.16580	5.1
327.17392	11.0
328.18243	6.8
329.15198	7.4
329.18835	7.9
331.16879	8.7
338.16611	10.4
341.15335	5.3
341.19037	8.4
343.20575	11.5
345.18503	30.3
347.20108	21.7
349.18011	6.4
353.18945	28.4
356.17581	5.5
359.20160	6.2
371.20078	53.4
389.16736	6.8
389.21210	78.8
407.22409	32.8
431.22189	13.7
449.23270	45.5
451.20975	9.4
467.24271	6.5
529.23938	6.2
571.26904	73.0
589.27783	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	589.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73009	1.0
53.03951	3.3
55.01879	7.9
56.98300	0.9
58.84440	0.9
67.05511	2.7
69.03437	2.5
69.07078	2.0
77.03896	1.3
79.05480	4.5
81.03429	5.1
81.07071	3.0
91.05486	14.3
93.07033	6.3
95.01320	1.5
95.04981	7.9
95.08629	2.1
96.71454	0.9
97.02818	0.9
103.05476	45.0
105.04525	0.9
105.07053	10.1
107.04964	4.5
107.08610	6.6
109.06537	3.3
109.10207	1.3
115.05444	4.9
117.07033	10.1
119.04963	1.3
119.08584	12.3
121.06547	2.3
121.10175	1.7
123.08047	1.0
127.05376	0.9
128.06226	3.6
129.07002	8.3
130.07794	1.3
131.04938	100.0
131.08578	9.7
133.06523	1.4
133.10152	11.5
135.08066	6.8
141.07045	2.1
142.07797	4.0
143.08542	9.1
144.05695	2.0
144.09377	1.4
145.06500	11.3
145.10138	11.1
147.08054	40.8
147.11697	2.8
149.09619	4.7
153.07036	1.1
155.08582	2.6
156.09393	5.1
157.06474	0.9
157.10147	14.6
158.07323	1.7
158.10837	1.0
159.08070	18.7
159.11705	11.7
161.05986	1.3
161.09633	15.4
163.07552	47.3
163.11148	1.5
165.06970	1.5
165.09116	1.3
167.08575	1.9
169.10120	5.5
170.10918	3.6
171.08102	3.1
171.11705	22.2
173.06003	4.1
173.09618	11.8
173.13274	4.3
175.07585	5.5
175.11217	3.1
177.09132	2.2
179.08640	1.5
179.10736	1.9
181.10190	2.8
183.11705	17.9
185.09663	4.3
185.13271	17.6
187.07498	5.3
187.11119	6.6
187.14867	1.3
189.09143	1.7
189.12758	3.0
191.10864	1.3
193.10115	1.6
195.11722	3.3
197.09679	3.5
197.13335	2.6
199.11200	7.2
201.09079	5.4
201.12781	4.0
203.08540	1.0
203.10669	2.6
203.14304	2.7
205.12289	1.8
206.10934	1.2
207.08144	1.2
207.11801	2.3
209.13246	2.0
211.11163	2.3
213.09094	1.3
213.12750	8.2
215.10683	2.5
215.14259	2.0
217.08626	1.8
217.12225	5.7
219.11954	1.3
219.13832	2.8
221.13358	2.2
223.11154	2.5
223.14780	1.3
225.12706	1.9
227.10683	1.2
229.12306	7.1
231.11755	1.5
231.13812	13.8
233.13367	1.7
235.14934	1.0
237.12692	2.0
239.10773	1.4
241.12216	6.3
245.11658	5.1
247.11034	1.7
247.13216	1.9
249.14911	4.0
251.14288	1.4
258.14090	1.3
259.13181	9.7
261.12875	1.5
271.14911	1.1
273.12662	1.5
275.14447	1.4
277.14490	5.0
279.13953	1.3
285.12640	1.1
287.14401	1.8
291.17322	1.2
297.12677	1.4
300.15204	1.6
301.16235	1.4
305.18964	1.2
313.15866	1.9
315.17511	3.5
317.18851	1.2
327.17331	3.7
328.18271	1.5
333.18494	1.6
337.18106	1.2
341.19101	2.2
345.18622	3.0
359.20023	4.1
363.19528	2.1
371.19934	1.1
375.19446	5.3
377.21194	4.8
387.19556	9.0
393.20578	3.0
395.22241	1.2
397.20111	1.5
405.15793	1.6
405.20682	20.5
411.21533	1.2
423.15973	1.7
423.21616	20.6
441.22702	11.1
571.27032	5.2
589.27899	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	589.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	3.0
53.03960	7.8
55.01886	10.7
55.05513	2.9
65.03952	2.0
67.05509	11.0
69.03426	8.4
69.07072	6.7
70.65165	1.1
71.04974	1.9
72.92031	1.2
74.34738	1.0
75.83427	1.2
77.03936	2.7
79.05498	9.5
81.03426	11.5
81.07072	7.7
83.04977	4.0
83.08578	1.2
90.26028	1.2
91.05490	23.8
91.06026	2.5
93.07052	13.4
95.04978	27.3
95.08587	6.5
97.06525	4.8
103.05465	3.9
105.03403	100.0
105.04515	4.0
105.06406	1.4
105.07046	21.8
107.04955	4.2
107.08612	10.0
109.06524	7.9
109.10164	3.2
111.08076	2.0
115.05432	8.3
115.21287	1.4
116.06230	2.0
117.07026	13.9
119.04940	1.7
119.08598	27.9
121.06529	7.9
121.10152	6.5
123.08071	4.0
128.06226	9.6
129.07022	14.0
130.07762	2.4
131.04927	3.1
131.08583	15.7
132.05663	1.5
133.06476	5.1
133.10144	17.0
135.08040	5.7
137.09612	4.7
141.06998	8.1
141.97997	1.5
142.07797	11.6
143.08575	20.3
144.09361	1.9
144.10492	1.4
145.06491	9.6
145.10124	13.9
146.07169	1.4
147.06940	2.2
147.08057	37.5
147.11700	2.7
149.09657	6.3
152.06215	2.3
153.07007	3.7
154.07793	3.3
155.08577	11.5
156.09348	8.7
157.06500	2.6
157.10161	19.2
158.07254	3.0
158.10896	2.3
159.08080	20.5
159.11705	6.3
161.09636	25.4
163.07495	2.4
163.11182	2.1
165.06998	10.4
165.09132	12.1
166.07756	5.2
167.08563	8.5
168.09352	4.6
169.06480	3.4
169.10129	12.3
170.07170	1.4
170.10896	2.7
171.08038	12.9
171.11688	14.3
172.08797	4.0
172.12361	1.2
173.06000	5.4
173.09653	17.3
173.13258	7.4
175.07532	6.5
175.11166	4.4
178.07759	2.8
179.08549	8.9
179.10657	4.4
180.09346	5.4
181.06482	2.9
181.10155	7.8
182.10956	3.4
183.08069	4.9
183.11725	12.3
184.08759	2.0
185.09653	14.0
185.13245	5.2
186.10419	2.1
187.07579	3.7
187.11180	6.9
187.14752	2.1
189.09120	3.4
189.12776	1.7
190.07747	3.5
191.08542	2.6
192.09314	4.4
193.10231	7.7
194.07204	1.6
194.10873	2.6
195.08023	5.0
195.10065	1.1
195.11726	8.5
196.08884	5.6
197.09648	13.0
197.11469	1.8
197.13290	8.7
199.11238	14.3
200.11951	2.3
201.12788	5.4
202.07791	2.3
203.08577	5.5
204.09297	3.8
205.10162	4.4
206.10954	2.8
207.11700	7.3
208.08858	5.1
209.09700	9.8
209.13275	4.8
210.10413	3.1
211.11227	21.6
213.12761	10.4
215.08591	3.5
215.10750	2.1
215.14391	6.7
216.09320	3.1
217.10139	5.6
218.10898	3.9
219.11674	4.3
220.08835	1.6
220.12433	3.7
221.09607	4.2
221.13272	3.6
222.10416	2.0
223.11215	25.0
224.11929	2.1
225.09155	2.2
225.12836	6.9
227.10706	3.3
229.10158	4.6
229.12260	10.2
230.10939	4.7
231.11661	5.5
231.13809	2.5
232.08833	1.9
232.12428	3.1
233.09584	3.9
233.13171	4.0
234.10316	2.0
234.14050	2.9
235.11266	8.0
235.14919	2.9
236.11908	1.6
237.09142	1.6
237.12872	6.7
239.10637	3.3
239.14357	3.2
241.10094	3.2
241.12344	4.0
242.10893	2.2
243.11646	3.6
243.13808	4.5
244.12509	4.9
245.09605	6.3
245.13271	8.2
246.10422	2.7
246.14000	2.2
247.11266	7.1
247.14946	3.6
248.11945	3.1
249.12738	6.8
249.16338	1.7
250.13353	1.5
251.14284	3.5
253.10127	2.5
253.15700	1.6
254.10835	1.5
255.11815	6.7
256.12387	3.1
257.09628	3.5
257.13260	5.5
258.10443	5.5
258.13974	2.1
259.11206	5.4
259.14792	3.9
260.11963	4.4
260.15839	1.7
261.12646	8.9
263.10840	2.7
263.14243	6.8
265.10052	2.2
265.16010	1.3
266.10950	2.8
267.11688	3.6
268.12384	2.0
269.09543	1.8
269.13232	5.6
270.14105	4.0
271.11151	5.6
271.14777	5.8
272.11978	3.7
272.15326	1.7
273.12701	11.0
273.16205	2.6
274.13531	4.4
275.14258	9.4
275.17422	1.9
277.12415	3.0
277.15915	4.3
279.13968	2.2
280.12286	3.0
281.13107	4.1
281.15671	2.6
282.10568	1.8
283.11111	7.6
283.14761	5.0
284.12057	3.7
284.15234	1.9
285.12711	5.6
285.16379	5.0
287.14212	8.4
288.15002	4.1
289.15778	4.0
291.13803	2.1
293.15341	4.3
295.11273	2.9
295.14743	3.9
296.11859	4.0
296.15353	2.1
297.12842	9.7
298.10489	1.6
298.13474	8.0
299.11188	1.6
299.14325	7.9
299.17386	1.8
301.12167	2.5
301.15771	5.5
302.16495	1.9
303.13986	2.1
303.17365	5.2
303.20779	1.5
308.11938	2.1
309.12518	7.0
310.13626	3.8
310.17166	1.4
311.14236	8.3
312.15036	6.4
313.12369	1.5
313.15863	20.9
313.19351	1.2
314.16614	2.9
315.13965	2.7
315.17331	2.6
317.19000	2.3
321.18445	3.4
323.14328	12.2
324.15060	5.3
325.15921	4.7
325.19543	2.1
326.13016	1.5
326.16669	2.5
327.17456	9.6
328.18243	5.8
329.15298	5.8
329.19131	5.2
331.16861	9.1
331.20444	2.7
338.16699	7.2
341.15280	5.3
341.19006	10.3
342.16110	2.2
343.17050	2.4
343.20633	14.4
345.18402	7.7
347.19974	3.7
353.19025	19.1
356.17749	4.1
359.19946	5.6
361.17810	1.4
361.21671	10.8
363.19611	2.7
371.20108	54.2
374.18799	2.7
377.21255	2.5
389.21149	71.5
407.22189	34.5
431.22083	5.4
449.23315	27.3
467.24356	9.8
511.14261	1.4
571.26996	90.7
589.27936	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	589.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.7
55.01876	14.6
55.05512	7.6
67.05505	11.3
69.03435	3.9
69.07076	14.4
79.05509	13.6
81.03419	13.7
81.07059	6.9
83.04996	5.6
91.05077	2.3
91.05503	28.9
93.07059	19.1
95.04982	23.7
95.08601	12.1
97.06521	3.5
103.05461	9.4
105.03401	66.2
105.04503	4.2
105.07037	34.9
107.04966	7.7
107.08611	14.4
109.06496	5.0
109.10143	4.8
115.05473	10.4
117.07030	13.0
119.08593	35.1
121.06512	9.8
121.10149	9.7
128.06242	16.4
129.07014	15.2
131.04944	22.3
131.08601	27.6
133.06480	7.5
133.10149	31.9
135.08058	8.0
141.06969	10.9
141.57098	2.7
142.07806	12.2
143.08586	27.4
145.06528	17.4
145.10133	22.3
146.07286	4.6
147.08052	31.1
147.11697	5.8
149.09642	10.3
153.06979	7.7
155.08554	14.8
156.09346	12.6
157.06532	3.9
157.10139	27.1
158.10922	3.2
159.08072	32.0
159.11728	15.0
161.09639	100.0
165.07054	8.1
166.07829	5.5
167.08621	5.8
168.09367	8.0
169.06476	4.1
169.10126	16.9
170.07285	3.6
170.10892	8.7
171.08124	18.4
171.11690	27.5
173.06108	7.4
173.09613	20.4
173.13301	8.8
175.07561	6.5
175.11180	3.9
178.03123	3.2
178.07835	5.0
179.08566	8.3
179.10797	3.0
180.09444	3.2
181.10156	14.4
182.10928	3.1
183.08130	6.2
183.11707	32.7
185.09648	17.7
185.13229	14.6
186.10423	5.2
187.07529	20.5
187.11186	8.6
187.14764	4.1
189.09175	5.2
193.10104	10.1
195.08118	4.1
195.11711	12.5
196.08801	10.5
197.09648	9.0
197.13284	14.5
199.11209	25.0
201.09126	4.1
201.12753	16.2
203.08586	3.5
203.14458	3.7
206.10950	5.9
207.11688	9.2
208.08858	3.6
209.09628	7.4
209.13220	4.1
210.10414	4.2
211.11194	46.1
213.12732	11.0
215.08673	4.1
215.10698	4.7
215.14288	13.0
217.10075	3.4
218.11043	3.6
219.11760	4.0
221.13284	5.4
223.11235	15.9
223.14815	3.2
225.12811	7.0
229.10126	4.5
229.12270	53.4
230.10834	6.3
231.11729	7.0
233.13301	6.1
235.11195	8.2
235.14902	6.8
237.09213	7.7
237.12701	7.7
243.13931	6.7
244.12584	4.4
245.13228	8.4
247.11064	3.9
249.12752	6.1
249.16530	5.2
251.10680	3.3
251.14319	4.1
255.11653	3.9
256.12561	3.7
257.13257	6.9
258.14020	3.9
259.11053	5.4
259.13406	5.1
261.12625	6.2
263.14340	4.4
269.13229	6.7
270.14093	4.5
272.11996	4.2
273.12741	11.2
273.16055	2.7
275.14355	5.4
275.17950	5.0
277.15765	5.3
281.13229	3.3
283.11194	5.2
283.14938	4.3
285.12817	6.6
285.16473	6.5
287.14383	8.0
295.14786	6.0
296.12067	3.4
297.12714	4.5
298.13690	6.8
299.14191	9.1
301.16006	4.1
303.17358	8.8
309.12921	6.6
311.14380	6.2
312.15118	4.5
313.12473	3.6
313.15894	15.4
314.12949	4.6
315.17419	5.8
323.14255	8.1
326.16757	5.8
327.17517	6.3
328.18176	4.2
329.15292	9.1
329.18945	6.7
331.16904	10.5
338.16879	7.6
341.15335	6.5
341.18909	22.6
343.20657	16.8
345.18466	7.4
347.20071	6.1
353.19052	22.0
356.17755	6.0
359.20078	13.0
361.21655	9.2
371.15338	5.0
371.20078	94.0
377.21146	3.4
380.32095	2.9
389.21179	44.6
401.01431	3.0
407.22061	8.4
431.22351	24.9
449.23428	7.6
467.24136	6.2
553.25793	7.6
571.26788	12.4
589.27789	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.4
57.07034	1.8
57.28174	1.5
67.05489	2.5
69.07050	2.3
69.19436	17.3
79.05495	8.9
81.03420	2.0
81.07053	6.2
91.05498	14.4
93.07055	8.8
95.04969	5.6
95.08638	3.8
96.86325	1.6
97.06516	1.7
99.43975	2.0
103.05468	41.8
105.03388	5.9
105.04475	2.6
105.07027	19.4
107.08586	6.7
109.06557	2.7
115.05458	4.5
116.06173	1.7
117.07021	7.4
119.08584	15.7
121.06509	4.1
121.10117	3.3
123.08047	2.2
128.06267	3.7
129.06989	4.8
130.07758	1.9
131.04938	100.0
131.08543	10.7
133.06502	10.5
133.10149	11.3
135.08057	4.8
141.06987	3.3
142.07774	3.6
143.08565	8.8
145.06458	8.2
145.10178	13.1
147.08112	8.7
147.11694	1.8
149.09608	4.1
155.07384	1.6
155.08553	6.8
156.09383	8.2
157.06419	2.3
157.10117	15.2
157.70877	1.7
159.08035	6.7
159.11765	8.7
161.05978	12.3
161.09631	4.8
163.07518	7.4
163.11276	2.3
163.52927	1.6
165.07005	3.3
167.08553	2.6
168.09352	3.4
169.10120	10.1
170.10898	6.9
171.08043	7.4
171.11707	20.5
172.08952	2.5
173.09602	9.6
173.13297	4.1
175.07498	4.8
175.11154	3.8
177.09129	3.3
179.08513	3.0
180.09308	2.0
181.10135	4.7
183.08080	2.7
183.11716	18.4
185.09633	4.2
185.13266	16.2
186.10384	1.7
187.07512	6.2
187.11171	5.9
189.05496	3.8
189.09116	3.6
191.06967	2.3
191.08615	1.6
193.10141	4.3
195.08212	2.6
195.11736	9.3
196.08904	1.9
196.12476	2.0
197.09647	3.5
197.13216	3.6
198.10417	3.9
199.07513	2.0
199.11185	12.7
200.11949	2.0
201.09100	2.8
201.12764	6.1
204.09317	1.8
206.10832	2.6
207.11662	6.9
208.12535	2.1
209.09552	2.5
209.13293	4.3
211.11179	5.8
213.09276	1.7
213.12730	19.8
215.14374	2.1
217.10222	3.4
217.12186	2.9
218.10858	1.9
219.11852	2.7
221.13217	3.9
223.11250	2.9
223.14899	3.1
224.11887	1.8
225.12621	3.6
227.10670	3.8
229.12260	4.5
230.10808	3.4
231.13782	4.1
233.13358	3.6
233.15390	2.2
235.11180	2.3
235.14749	2.5
237.12784	3.0
239.14317	2.1
241.12263	4.9
243.11662	3.5
243.13850	6.9
244.12440	2.7
245.13245	5.1
245.15479	4.1
246.14008	3.1
247.11224	2.5
247.14809	4.3
248.12039	1.9
249.08875	1.9
249.12775	2.6
249.16498	2.9
255.11687	2.9
257.13394	3.5
258.14081	2.1
259.14935	3.1
260.15579	2.9
261.12625	2.2
261.16656	3.0
263.14304	3.6
269.13168	2.8
270.14050	2.6
271.14984	2.3
272.15823	1.9
273.14771	9.2
274.13284	1.7
275.14749	2.0
275.17715	3.8
277.16086	2.3
285.12646	2.5
285.16388	2.8
289.12079	2.1
303.13852	2.4
303.17242	2.5
304.18301	2.9
305.15274	2.1
315.13730	3.0
317.18924	2.3
321.18481	2.8
329.15347	4.3
331.16849	4.9
333.14716	9.9
339.19580	2.8
341.15353	2.1
341.19141	2.9
345.14734	3.5
345.18521	3.6
347.16370	5.5
347.20139	2.2
349.17868	3.0
357.18481	7.4
359.19986	5.1
361.17880	5.2
363.19604	2.8
369.18283	3.4
373.18051	8.3
375.19400	3.4
377.21347	3.3
387.19598	16.0
393.20541	2.0
401.17679	4.0
405.20663	27.1
409.23807	2.5
419.18414	3.4
421.19846	2.3
423.21570	19.6
433.20032	7.0
441.22690	10.2
451.21121	11.7
469.22424	2.1
511.22855	3.3
571.26611	2.4
580.05951	1.9
589.27069	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	589.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.3
56.96546	2.9
57.03423	4.1
59.04988	1.3
61.02924	2.6
61.10329	1.1
63.67013	1.3
69.03442	8.0
69.07072	83.0
70.06612	1.6
71.04982	1.8
71.55434	1.8
73.02905	2.4
73.06561	9.7
76.87323	1.0
79.05477	3.3
81.03413	4.1
85.02427	2.2
85.02908	29.4
87.04452	2.0
87.08116	23.2
91.03943	2.1
97.02901	9.1
97.05917	2.3
97.06539	41.5
98.97588	10.6
99.04420	1.4
103.03949	19.6
105.09149	14.8
107.04934	1.2
109.02861	3.6
110.97571	3.2
112.99120	1.3
115.07572	6.7
116.98596	4.2
119.04906	1.3
120.08092	6.3
121.06553	1.8
121.08456	2.1
121.10177	1.2
125.06001	100.0
126.06316	1.6
127.03907	5.5
128.98621	1.8
131.00110	1.3
133.06493	1.4
136.06157	4.2
137.05939	2.5
143.00150	1.8
143.07043	35.7
145.02794	2.1
145.04964	9.6
145.10059	1.2
147.04419	1.3
157.08649	1.9
158.99619	4.3
161.01247	1.5
161.08102	69.7
163.03915	1.9
163.06036	2.9
166.08670	1.9
167.07068	2.3
170.99689	1.5
177.00768	1.8
177.05417	3.6
179.07018	1.9
201.00691	1.9
213.11211	1.9
219.01712	7.6
235.02895	1.6
237.02861	8.9
241.03789	1.5
260.07272	4.2
265.03818	1.8
268.10138	1.6
289.05872	2.2
319.06976	4.4
320.07452	1.2
323.13406	2.5
337.07913	2.2
342.10611	2.0
347.07983	1.5
355.96194	1.2
421.14017	5.5
421.63925	1.5
427.11484	1.8
427.63187	1.5
428.14606	3.1
519.14069	1.6
589.17883	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.7
55.01868	8.5
55.05505	11.2
67.05500	17.7
67.33217	3.7
69.03434	13.2
69.07063	6.4
71.16428	4.1
77.03889	3.9
79.05499	24.9
81.03432	19.3
81.07068	16.6
83.04993	9.0
85.02900	20.8
91.05480	24.4
93.07068	23.0
94.29517	4.4
95.04973	43.6
95.08611	7.5
103.05472	14.9
105.03394	83.0
105.04453	4.5
105.07036	29.3
107.04973	19.0
107.08592	15.4
109.06514	16.0
115.05383	5.4
117.07002	11.1
119.08595	32.0
121.06498	17.5
121.10135	6.7
123.08009	5.9
128.06190	5.1
129.07016	6.7
131.04933	21.3
131.08549	16.0
133.06491	10.4
133.10127	14.5
135.08049	9.8
137.09587	4.7
141.07114	4.6
142.07779	15.2
143.08521	21.1
145.06453	20.4
145.10153	18.6
147.08083	21.7
152.76874	3.6
155.08502	11.3
156.09338	11.0
157.10091	31.8
159.08046	14.7
159.11711	11.2
161.09663	20.1
165.07065	6.2
166.07767	4.3
167.08606	10.9
167.83449	3.8
168.09413	6.5
169.10121	27.0
170.10927	6.3
171.08086	10.5
171.11678	18.2
173.09631	14.7
175.11186	8.2
178.07832	5.0
179.08569	8.5
180.09471	4.3
181.10117	10.4
182.10980	4.9
183.11647	21.8
185.09622	29.4
185.13222	10.4
187.11220	8.4
192.09457	4.1
193.10150	13.4
194.10938	7.3
195.11720	16.3
197.09621	6.7
197.13261	15.5
199.11148	11.6
203.08585	4.6
204.09355	6.2
205.10168	10.8
206.10884	11.4
207.11699	13.2
208.12335	4.7
209.09613	8.9
209.13266	17.2
211.11230	13.5
211.14873	12.1
213.12814	12.4
217.10060	10.2
218.10857	8.7
219.11688	11.1
220.12416	7.9
221.13272	20.1
223.11186	17.3
224.12079	5.5
225.12866	8.1
230.10915	9.6
231.11697	16.4
232.12520	5.8
233.13278	15.4
234.14041	6.1
235.11209	9.1
235.14845	10.1
237.12999	5.1
237.16220	4.9
239.14223	5.7
243.11757	6.9
244.12521	7.0
245.13303	14.0
246.14027	6.4
247.11153	5.7
247.14877	15.2
249.12831	6.0
249.16492	22.2
251.14360	9.8
255.11580	5.5
256.12375	4.6
257.13367	8.2
258.10223	7.1
259.11145	11.2
259.14804	12.0
260.12167	5.4
260.15500	8.9
261.16412	9.2
263.14313	5.0
265.15988	5.0
269.13129	4.8
271.11276	6.2
271.14832	4.7
272.11819	4.8
273.12723	6.4
273.16095	5.1
273.18796	4.9
275.14371	7.9
275.17972	11.0
277.15906	10.9
283.11288	8.2
283.14642	4.7
284.11981	4.8
285.12720	14.0
285.16183	7.4
286.13776	5.6
286.17102	5.2
287.11023	5.1
287.14337	8.7
289.15988	8.9
291.17276	5.2
295.14627	8.7
297.12860	5.5
298.13364	7.7
299.14304	16.1
300.18796	4.2
301.16003	7.0
303.17422	6.2
305.15350	5.3
305.18909	5.3
311.14178	4.5
313.15829	18.9
315.17319	12.6
317.15216	4.7
317.18863	6.6
321.18378	5.7
323.14392	8.5
327.17401	17.7
328.18130	5.9
329.18893	5.1
335.20065	16.6
341.19131	9.4
342.19907	9.4
343.16736	3.9
343.20593	100.0
345.18469	94.8
353.19000	16.8
361.21582	43.3
371.15872	5.7
371.20099	57.4
389.21063	54.8
407.22198	53.1
449.23337	4.4
571.26672	8.9
589.27728	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	589.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.9
55.05505	25.0
57.07083	9.2
65.03914	6.8
67.05496	16.5
69.03445	10.0
69.07059	10.8
69.42040	39.8
73.86479	6.1
79.05487	31.1
81.07041	28.2
83.04994	32.4
91.05479	55.5
92.20411	7.3
93.07051	46.6
95.04972	24.9
95.08589	23.0
97.06526	12.0
103.05466	45.9
105.03391	25.6
105.07024	74.5
107.04955	9.9
107.08591	29.0
109.06540	19.5
115.05489	9.6
117.07020	23.7
119.04875	8.4
119.08595	66.4
121.06510	24.6
121.10149	19.3
123.04440	6.8
123.08048	12.7
128.06274	12.3
129.06981	15.9
131.04933	98.2
131.08589	31.5
133.06497	31.6
133.10155	40.1
135.08055	23.0
137.05984	10.9
137.09544	6.2
141.06967	11.1
142.07751	18.0
143.08554	37.7
145.06500	21.4
145.10126	27.3
147.08043	32.9
147.11780	8.0
149.05989	6.9
149.09628	49.9
155.08583	23.5
156.09366	36.3
157.10127	95.7
158.10938	7.2
159.08063	15.0
159.11713	48.8
161.06000	19.3
161.09628	20.4
163.11176	8.8
164.10591	6.1
165.05545	6.7
165.06979	9.8
167.08597	12.0
169.10104	45.2
170.10930	16.9
171.08032	19.3
171.11688	100.0
173.09663	23.9
173.13266	32.4
175.11090	8.5
177.09142	7.6
179.08530	10.8
181.10144	19.4
183.08055	12.2
183.11681	81.5
184.12512	8.1
185.09674	16.2
185.13248	53.3
187.11195	18.8
189.09157	9.4
191.10715	7.5
193.10127	15.1
194.10947	8.6
195.08049	6.4
195.11676	38.3
197.09653	15.0
197.13313	17.3
198.10374	7.2
199.11205	23.7
201.09169	8.7
201.12781	17.7
203.10559	8.6
205.10239	12.0
205.12193	8.7
206.11000	8.9
207.11682	25.0
208.12492	6.4
209.09680	12.5
209.13284	24.2
211.11220	24.5
211.14958	7.3
213.12755	30.3
215.10695	7.3
217.10075	8.5
217.12158	8.9
218.10898	6.1
219.11728	12.9
220.12456	21.8
221.13232	29.7
222.10419	7.2
223.11209	18.3
223.14793	15.2
224.11945	7.8
225.12714	8.0
227.10629	16.7
229.10294	11.3
229.12285	28.6
230.10847	8.7
231.11742	15.4
231.13815	19.5
232.12460	18.9
233.13275	16.4
233.15407	12.1
234.13805	6.2
235.14859	23.6
237.12798	15.4
237.16203	11.0
239.14304	8.6
241.12292	10.3
243.13815	17.3
244.12364	8.5
245.13249	26.1
245.15428	18.6
246.14049	11.3
247.14885	24.3
248.15727	6.9
249.16426	26.2
251.10640	6.9
251.14307	8.1
257.13373	13.9
258.13898	9.2
259.15067	11.2
260.15625	9.0
261.12656	12.0
261.16583	19.0
263.14291	14.9
263.17917	6.4
265.15829	33.0
273.12390	11.2
273.16742	8.0
274.13647	8.6
275.14322	10.7
275.17844	8.2
277.15759	12.8
279.17569	8.2
284.15430	8.0
285.16360	6.6
287.14362	13.6
287.17728	7.5
289.15805	9.3
291.17255	11.1
293.15518	8.7
299.14203	7.5
301.16006	12.6
303.17316	9.9
305.15536	10.5
305.19000	16.0
307.17004	10.0
309.18561	7.0
313.15918	9.4
317.18887	7.5
319.16910	7.5
321.18503	18.3
329.14969	9.3
331.16830	17.3
333.18530	6.6
337.17905	7.6
339.19296	6.8
343.16751	9.2
345.18405	11.8
347.16330	20.6
349.18039	29.5
359.16241	14.1
359.20239	15.2
361.17831	17.8
361.21722	11.7
365.17368	16.6
367.19070	13.8
371.16333	9.8
373.17865	7.7
375.19867	10.8
377.17236	14.1
377.21393	11.6
379.19052	19.0
381.20828	8.1
385.19901	6.5
387.19580	21.3
389.16946	14.4
389.21146	18.1
391.18985	22.9
393.20813	11.0
397.20261	8.2
402.77719	7.2
405.20718	50.7
407.18518	23.8
409.20151	23.6
417.17249	9.6
419.18317	9.5
421.20139	24.0
423.21921	74.6
427.21140	8.2
433.19885	11.4
437.19534	23.2
439.21152	32.2
441.22784	34.5
449.19568	14.8
451.20932	20.5
455.20380	18.4
457.22632	10.1
467.20554	27.3
469.21912	11.3
485.21716	14.9
571.25909	22.4
589.27692	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	589.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.9
55.01878	5.0
55.05506	4.3
56.09480	3.3
67.05496	8.5
68.05959	4.5
68.31953	3.7
69.07085	6.0
70.20045	3.9
79.05502	13.6
80.07625	3.5
81.03400	6.3
81.07049	12.6
83.04980	8.3
87.82449	3.5
91.05478	36.2
93.07058	17.6
95.04980	13.3
95.08622	17.9
99.75940	4.4
101.95061	3.7
103.05474	32.1
105.03397	17.3
105.07042	40.8
107.04916	9.1
107.08600	11.1
115.05449	7.8
117.07067	19.4
119.04963	12.0
119.08607	36.0
121.06519	12.9
121.10158	4.9
123.08052	6.2
128.06255	11.5
129.07039	15.7
130.07780	4.3
131.04947	49.9
131.08592	23.5
133.06494	26.6
133.10150	29.9
135.04381	5.2
135.08067	10.2
137.05991	6.0
141.06976	7.5
142.07762	15.7
143.08607	28.2
144.26360	3.9
145.06494	16.6
145.10124	23.1
147.08072	17.1
149.06039	5.7
149.09665	14.0
155.08580	22.2
156.09360	27.9
157.10132	42.9
159.08038	21.7
159.11742	18.6
161.05989	16.0
161.09639	20.7
163.07570	20.5
163.11206	7.2
165.07076	6.2
167.08588	7.4
168.09346	9.7
169.10121	30.5
170.10878	23.7
171.08089	13.6
171.11696	100.0
173.09651	21.3
173.13322	14.1
175.07504	7.2
179.07082	8.0
179.08505	5.3
181.10141	8.3
183.08109	5.7
183.11697	76.2
184.12405	6.5
185.09645	16.8
185.13271	76.7
187.11168	13.7
187.14818	5.5
189.05496	5.8
189.09140	7.4
193.08650	5.5
193.10185	12.9
194.10979	6.6
195.11726	18.5
197.09637	14.6
197.13361	14.1
199.11133	20.8
201.09160	5.7
201.12827	9.4
205.12231	4.8
206.10902	9.3
207.11749	16.9
209.09634	7.7
209.13295	13.8
211.11186	26.3
211.14839	5.3
213.09187	5.8
213.12814	26.9
215.10686	4.9
217.10277	7.8
217.12157	5.2
218.11044	6.3
219.11748	13.1
220.12445	6.4
221.13243	22.7
223.11362	8.9
223.14891	8.7
227.10776	5.2
229.12268	18.2
231.11853	7.2
231.13843	11.5
232.12610	7.4
233.13284	8.9
234.13966	6.7
235.11328	6.7
235.14801	9.1
237.12839	6.8
237.16354	5.0
239.10805	5.3
241.12321	10.0
243.11682	9.7
243.13921	24.4
244.12581	10.3
245.13232	11.1
245.15382	53.4
246.14105	9.8
247.11159	4.9
247.14845	16.8
247.16956	5.3
249.12859	6.9
249.16406	14.9
251.14349	7.6
255.11545	6.7
255.14029	7.5
256.12433	4.3
257.13275	8.8
258.14105	11.9
259.11142	4.8
259.14862	15.3
261.12738	10.6
261.16415	16.6
263.14386	6.1
263.17981	10.4
269.13351	5.0
270.14050	5.5
271.15057	8.6
272.15683	5.8
273.15067	12.5
274.13300	6.1
275.14273	6.8
275.17932	7.2
277.15918	9.6
279.17496	6.2
285.16437	8.9
286.13351	4.4
287.14441	8.5
287.17740	4.9
289.15735	7.0
291.17670	6.5
297.16467	4.6
299.14511	4.3
301.16098	8.0
303.14322	4.6
303.17502	11.4
313.15765	10.9
315.13922	4.8
315.17471	5.8
317.15329	7.0
317.18820	6.2
319.16791	10.4
327.17465	9.7
329.15256	5.0
329.18808	6.3
331.16895	12.6
333.18640	5.9
335.12405	4.7
335.20361	5.8
345.18512	11.1
347.16425	10.5
347.20203	8.2
349.18112	27.3
351.19626	6.9
355.16742	5.6
359.16507	10.9
361.17902	11.8
363.19513	12.2
365.17407	7.2
373.18051	16.2
375.19659	5.1
377.17358	22.3
379.18820	5.5
387.19629	6.0
389.21188	10.3
391.18936	28.7
395.18655	11.2
401.17267	9.7
405.20648	16.5
409.20117	19.5
419.18542	25.2
421.20016	12.9
423.21725	33.5
433.20026	30.5
437.19595	16.9
451.21097	49.6
469.22220	23.9
483.24127	4.9
489.24863	9.1
511.23236	11.9
529.24146	8.4
540.52930	4.2
571.26160	8.9
589.26794	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.9
55.05504	15.6
65.03940	5.7
67.05488	9.4
69.03419	9.3
69.07074	7.3
69.17578	4.6
69.38872	35.8
79.05485	20.4
81.07052	20.6
83.04976	22.5
83.08641	4.7
86.12296	4.6
91.05491	26.2
93.07042	28.6
95.04976	13.0
95.08588	18.2
98.20750	8.4
103.05483	41.3
105.03386	8.7
105.07038	51.7
107.08595	19.8
109.06525	7.9
115.05414	5.8
117.07008	15.3
119.04962	7.2
119.08577	42.1
121.06506	16.7
121.10158	12.5
123.08049	8.5
128.06241	6.2
129.06970	6.0
131.04927	100.0
131.08533	29.1
133.06514	18.5
133.10147	23.3
135.08029	16.5
142.07835	7.8
143.08556	29.8
145.06477	15.0
145.10094	14.8
147.08063	20.7
149.09637	29.9
151.07561	7.1
155.08574	14.6
156.09348	10.5
157.10124	52.1
158.10925	4.8
159.08035	16.5
159.11713	41.4
161.06004	14.3
161.09604	8.5
163.07541	9.0
163.53151	4.6
165.06956	5.7
167.08620	5.5
168.09448	5.5
169.10135	26.6
170.10933	16.3
171.08049	7.5
171.11702	63.8
173.09604	14.9
173.13271	18.3
175.07576	6.4
175.11081	7.5
177.09238	6.0
179.06995	7.9
179.08546	8.7
180.09363	5.6
181.10130	7.6
183.08069	5.4
183.11685	49.4
185.09631	9.4
185.13284	31.9
187.11165	16.0
189.05421	6.5
189.09128	5.2
189.12587	4.9
193.08591	5.9
193.10138	15.1
194.10991	4.8
195.07985	5.2
195.11757	17.7
197.09616	17.7
197.13301	11.2
199.11168	21.6
200.12024	5.3
201.09090	6.5
201.12697	8.7
206.10907	6.3
207.11713	17.1
208.12387	7.6
209.09639	11.0
209.13242	15.2
211.11166	15.7
211.14722	6.3
213.09161	7.3
213.12727	17.3
217.10260	8.3
217.12195	8.2
219.11726	8.7
220.12488	14.3
221.09711	7.7
221.13248	17.5
223.11208	11.8
223.14856	9.3
225.12715	10.3
227.10789	7.7
229.12239	17.8
231.11798	10.7
231.13820	11.1
232.12402	10.5
233.13303	11.3
233.15334	7.6
235.11288	6.2
235.14828	20.1
237.12758	13.1
237.16455	9.4
239.14250	10.0
241.12270	5.5
243.11714	10.6
243.13872	10.9
244.12555	5.9
245.13243	15.9
245.15485	13.0
246.13931	8.3
247.14876	19.3
249.12637	10.3
249.16405	14.8
251.14345	7.5
251.17787	6.0
253.12234	6.8
257.13278	6.2
259.14893	14.1
261.12823	5.5
261.16537	9.2
265.15936	25.4
273.16721	7.0
275.14511	9.7
275.17923	9.0
277.15872	8.3
287.14432	5.2
289.15720	7.4
291.17413	8.8
293.15399	6.0
299.14398	5.9
301.15729	11.7
303.13782	9.8
303.17365	8.3
305.15408	6.7
305.18887	6.9
315.17310	7.3
317.15347	10.9
317.18671	5.9
319.17053	7.9
321.18533	8.0
329.15427	8.6
331.16916	10.7
335.16284	8.3
335.20010	5.8
343.17032	5.8
345.18637	6.4
347.16449	11.3
349.17981	14.0
359.19916	8.2
361.17950	10.6
361.21729	10.0
363.19608	8.5
365.17496	15.9
367.19064	12.0
371.20050	5.8
373.18051	4.7
377.17377	12.4
377.21484	7.0
379.18765	10.5
387.19455	10.7
389.17010	8.0
389.21179	12.5
391.18903	9.4
395.18326	9.4
405.20776	41.4
407.18552	16.8
409.20126	9.3
419.18118	6.2
421.19891	9.9
423.21725	62.3
435.17783	9.4
437.19418	15.5
439.20993	19.4
441.22769	26.8
449.19833	7.8
451.20929	7.3
453.19604	5.6
455.20441	7.6
457.22528	6.1
467.20853	22.4
469.22079	6.5
485.22101	21.9
529.23999	6.0
571.26617	25.9
589.26691	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	588.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04533	1.2
53.03939	2.3
55.01857	2.3
55.05516	23.1
57.03435	9.1
57.07073	8.8
67.05508	15.0
67.42879	1.2
69.03388	1.1
69.07073	20.0
69.27226	8.6
69.27650	2.5
71.08618	5.1
79.05496	12.6
81.03418	51.5
81.07059	14.8
83.04978	2.7
83.08147	1.9
83.08618	28.3
85.10172	1.9
91.05486	14.6
93.07051	13.2
94.07374	1.8
95.04977	13.6
95.08604	12.4
97.06518	2.6
97.10178	13.8
98.20755	1.8
105.07040	12.0
107.04939	4.4
107.08606	6.8
109.06508	2.7
109.10152	5.6
109.60384	1.2
111.08115	6.2
111.11690	2.9
117.06963	1.6
119.08588	12.3
121.10149	9.8
123.08042	2.2
129.06990	5.1
130.01880	1.2
131.08559	7.5
131.98561	1.3
133.06451	1.2
133.10121	4.2
135.11673	4.5
142.07744	1.3
145.10130	3.8
147.11700	5.7
149.09593	2.3
149.13403	1.3
157.10133	5.8
159.11659	1.5
175.11212	5.0
185.13132	2.0
193.12250	18.9
203.31300	1.3
223.13341	1.9
232.12195	1.5
249.14874	1.9
267.15927	100.0
311.25818	56.1
313.27332	3.1
503.37320	48.6
570.46375	2.7
588.39618	1.4
588.47192	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	588.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71206	1.1
55.05514	10.4
57.03437	7.6
57.07076	5.3
64.22113	1.0
67.05508	6.0
69.07065	13.4
70.44932	1.1
71.08630	4.3
79.05490	5.3
81.03419	38.8
81.07061	6.2
82.50260	1.1
83.04975	2.6
83.08621	18.4
84.19452	1.3
85.10192	1.9
91.05480	7.4
93.07059	3.4
95.04988	11.3
95.08608	3.3
97.02911	2.1
97.06559	1.5
97.10173	9.5
105.07029	5.6
107.04977	3.5
107.08611	2.4
109.10152	1.6
111.08072	3.7
111.11748	2.8
118.60211	1.3
119.08601	6.2
121.06493	1.3
121.10165	5.4
123.11780	1.7
129.07010	4.0
131.08569	3.9
133.10130	2.7
135.24527	1.1
137.09641	1.4
141.49901	1.0
143.23451	1.2
147.08069	1.6
147.11699	3.3
149.09608	2.3
157.10158	4.6
175.11226	4.5
193.12247	14.9
267.15918	100.0
311.25815	49.9
313.27188	1.9
481.89099	1.2
503.37305	41.4
545.77551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52265	2.4
52.47231	2.6
53.03927	2.5
55.05525	14.0
57.03436	9.9
57.07070	9.7
65.54144	2.6
67.05505	10.1
69.07066	18.6
71.08627	2.6
71.55581	3.9
79.05501	10.3
81.03424	54.3
81.07054	12.8
83.04995	5.0
83.08629	25.4
85.10174	2.6
91.05496	13.1
93.07048	9.9
95.04976	16.3
95.08581	3.4
97.10178	13.4
105.07024	8.1
107.04974	2.9
107.08609	4.2
109.06471	3.5
109.85571	2.5
111.08044	3.2
111.11742	3.5
119.08609	11.4
121.10147	7.3
126.58806	2.9
126.77855	2.6
131.08575	6.2
147.11688	4.5
149.09691	4.2
157.10175	4.2
175.11139	4.2
187.87135	2.8
193.12227	18.6
259.53259	3.0
267.15933	100.0
296.19629	3.5
311.25830	56.8
495.27551	3.2
503.37262	41.5
588.46954	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	4.7
55.05512	22.4
57.03434	11.0
57.07058	10.5
58.06602	33.9
59.05014	5.1
59.05301	4.0
65.03930	6.0
67.05503	99.9
69.03420	11.6
69.07062	15.3
71.04988	6.9
71.56483	5.3
74.95048	3.3
79.05505	26.0
79.06702	3.5
80.85783	3.8
81.03423	7.7
81.07051	44.8
83.04990	9.1
83.08606	15.2
85.02905	6.2
89.06019	12.7
91.05476	34.4
93.07049	35.5
95.04971	12.6
95.08606	35.6
97.10184	9.9
99.94884	4.3
105.07025	48.0
107.04973	7.4
107.08609	40.4
109.06502	7.6
109.10164	81.7
111.08134	4.8
115.05380	4.1
117.07019	13.4
119.08585	43.1
119.82298	4.0
121.10128	24.6
123.08067	9.0
123.11716	14.8
125.09647	11.1
128.06207	5.5
129.07037	7.0
131.08591	30.6
133.06448	6.9
133.08588	6.5
133.10130	41.4
135.08066	8.4
135.11668	19.9
137.09583	8.2
141.34242	4.4
143.08582	27.8
145.10110	26.8
147.11687	22.7
149.09712	8.2
151.11142	4.4
155.08525	8.9
155.10732	9.7
157.10124	23.1
159.11729	31.7
161.09624	85.8
161.13278	11.2
163.11168	10.1
169.10106	14.4
171.11649	20.4
173.09604	7.3
173.11732	21.7
173.13278	12.1
175.11218	11.7
179.10641	4.7
183.11678	17.3
185.13289	18.5
187.11209	7.5
187.14816	14.1
189.12779	9.9
191.14294	7.0
195.11711	4.9
197.13260	11.7
199.11142	6.3
199.13191	5.3
199.14905	21.0
201.12694	6.6
201.16437	7.9
203.14386	6.5
205.15918	7.4
209.13307	7.3
211.14818	8.0
213.16422	10.4
215.14265	9.2
217.15834	4.7
225.16394	9.2
227.14322	15.3
229.14322	83.3
229.16234	6.5
237.16434	5.0
251.17996	4.9
295.20419	5.0
299.19852	4.6
301.16571	9.2
309.22134	13.9
311.23584	32.1
351.26828	100.0
353.28470	25.6
361.25226	8.5
369.24210	12.9
371.25586	15.5
379.26321	70.5
381.27893	13.2
383.24194	16.7
399.23517	9.3
411.28610	7.5
413.30307	7.4
433.31076	10.9
439.28387	57.3
451.32150	40.2
511.34088	9.8
553.33862	6.8
556.26031	7.6
588.21619	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	588.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
53.68906	0.3
55.05512	3.4
57.03439	0.4
59.05005	0.5
67.05518	0.5
69.03431	1.6
69.07043	0.5
70.06583	0.6
71.00079	0.3
71.00415	0.5
71.04983	0.4
74.81390	0.3
79.05497	0.5
81.03425	2.5
81.07035	0.5
82.06592	0.4
83.04990	3.5
85.02892	1.5
86.06071	100.0
91.05466	0.3
93.07038	0.5
95.04949	0.6
95.08616	0.6
97.02890	2.2
97.06537	0.7
99.04446	0.9
100.07592	0.4
101.06018	9.0
105.07038	0.4
107.08592	0.5
109.02884	3.0
110.06017	0.6
111.04447	9.0
119.08575	0.6
121.10146	0.8
123.08083	0.3
126.09136	0.5
127.03925	4.4
129.05492	7.5
129.06386	0.6
137.06050	0.4
145.04993	0.5
145.10110	0.4
147.06511	4.3
149.05988	0.4
154.08635	4.3
161.06046	0.4
172.09772	0.6
187.07835	0.4
198.99086	0.3
201.07553	0.4
212.16507	0.6
216.14636	0.5
226.14304	0.7
237.07568	0.3
255.08600	1.8
270.60773	0.4
273.09683	8.0
291.10828	3.0
298.13217	0.4
305.11383	0.4
316.14035	1.2
334.15167	0.6
392.61652	0.3
420.18484	2.6
426.27200	0.4
462.19662	5.5
522.21130	0.4
540.21582	0.4
588.29932	0.5
588.41052	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	588.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.9
55.05265	0.6
55.05514	6.3
57.03429	0.8
59.04984	0.7
67.05492	1.5
68.05016	0.6
69.03429	2.9
69.07076	4.2
70.02950	1.2
70.06582	1.3
71.04954	0.7
71.55098	0.5
72.08146	1.1
73.02909	0.8
79.05475	1.5
81.03437	3.0
81.05810	0.9
81.07087	2.4
82.06591	9.3
83.04993	7.5
84.08138	0.9
85.02908	3.5
85.06528	2.1
86.05594	0.9
86.06079	13.9
86.09714	0.7
87.04438	0.6
91.05470	0.8
93.07028	1.4
95.04989	0.5
95.08607	1.6
96.08140	8.9
97.02902	2.4
97.06538	0.9
98.06052	2.5
98.09705	4.0
99.04445	1.9
100.07594	0.6
101.06024	4.2
105.07024	1.3
107.08566	1.5
108.08116	3.3
109.02882	4.0
109.06519	1.6
110.06049	9.3
110.09673	2.2
111.04445	9.3
112.07623	1.2
113.06042	0.7
114.09146	1.1
116.10754	6.6
120.08091	0.6
121.08920	0.6
122.09667	1.6
123.11713	0.5
124.07603	5.1
125.06061	0.7
126.09164	7.3
127.03929	2.4
127.07539	1.0
129.05453	2.6
134.09647	1.7
136.07573	0.9
136.11203	1.6
137.05998	0.7
138.09180	1.1
141.09177	0.7
142.08643	15.5
149.09570	0.4
151.11179	3.5
152.10715	1.9
152.14351	0.8
152.97231	0.5
153.12888	0.5
154.08641	85.1
154.12114	2.4
155.07042	5.9
161.06018	0.6
164.14311	1.1
166.08578	0.5
169.12228	1.0
172.09698	14.3
173.08105	1.9
176.14377	1.0
178.12386	0.5
194.08110	0.5
194.15417	6.7
208.13434	0.6
212.16467	100.0
214.10757	1.5
215.09087	0.7
226.14377	1.5
241.12344	0.9
256.11765	0.6
259.13300	0.9
274.12830	1.2
279.15778	0.5
280.11826	1.2
298.12851	10.6
298.16071	0.7
316.13922	25.6
320.49704	0.5
322.20123	4.7
334.14981	13.5
335.13571	1.3
340.21240	0.7
364.21201	1.4
382.22339	2.0
388.19547	1.1
420.18701	20.6
424.23529	1.0
426.11667	0.7
430.22052	0.7
441.21301	2.0
442.24585	2.6
448.23361	5.6
466.24387	4.9
484.25461	21.5
502.26495	26.5
527.25061	2.2
570.29059	1.3
588.30200	71.0
589.30676	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
55.05275	0.5
55.05512	7.1
56.05013	0.7
56.46872	0.5
57.03432	0.7
58.06602	0.7
59.04975	0.8
60.04515	0.6
67.05492	2.5
69.03423	3.0
69.07085	3.7
69.75196	1.1
69.75603	2.0
70.02950	1.3
70.06571	2.4
71.04962	0.8
72.08141	1.3
73.02901	1.0
73.43485	0.5
79.05479	1.7
81.03434	3.3
81.07040	2.1
82.06589	10.3
83.04990	8.2
84.55172	0.5
85.02911	3.9
85.06525	1.8
86.06068	15.2
91.05461	2.0
93.07031	1.9
95.04958	1.2
95.08589	1.5
96.08135	7.8
97.02863	1.6
97.06528	1.2
97.08902	0.6
97.95863	0.6
98.06046	2.3
98.09704	4.9
99.04440	2.4
100.07607	0.7
101.06012	3.8
105.07021	1.6
107.08600	1.8
108.08125	2.6
109.02888	4.2
109.06511	1.8
109.10133	0.8
110.06051	10.4
110.09675	1.8
111.04453	8.5
112.07600	1.3
113.05988	1.0
114.09172	1.0
116.10741	5.4
122.09662	1.3
123.08059	0.8
124.07597	4.4
125.05979	0.7
126.09158	8.5
127.03922	3.3
127.07535	0.8
129.05476	2.5
133.06561	1.1
133.10149	0.6
134.09648	1.7
136.07614	1.1
136.11218	1.4
137.05997	6.1
138.09120	1.1
138.22157	0.6
142.08640	16.9
145.09984	0.6
151.11209	4.4
152.10745	1.8
154.08641	86.4
154.12241	2.2
155.07024	6.7
157.06403	0.6
161.06010	2.9
162.06720	1.0
164.14368	0.6
164.56813	0.6
166.15858	0.6
169.12277	1.2
172.09698	15.5
173.08086	1.9
175.07602	1.3
176.14432	0.7
177.17213	0.6
194.15437	5.6
211.06009	0.8
212.16470	100.0
214.10736	1.9
214.83231	0.6
219.08157	0.8
226.14326	1.8
231.08229	0.6
237.43689	0.6
241.12230	1.1
251.10712	0.7
259.13220	0.7
261.14883	1.0
274.12909	1.3
279.15796	0.6
280.11823	1.7
291.10229	0.8
298.12894	9.2
311.12772	1.6
316.13925	25.7
317.12170	0.7
322.20169	5.0
323.12622	0.7
334.14966	16.2
341.10391	0.8
364.21075	0.9
370.18817	0.6
371.54797	0.6
382.22214	1.3
388.19684	0.8
406.21124	0.7
420.18713	19.0
424.23358	1.2
430.22897	0.6
441.21313	2.3
442.24689	3.7
448.23511	6.3
466.24313	6.4
484.25488	22.7
484.32443	1.2
502.26520	26.5
511.00186	0.7
527.24823	1.9
531.38757	0.6
570.29016	1.5
588.30188	77.5
589.30817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11377	0.4
53.03938	0.7
55.01880	0.3
55.05515	4.5
57.28011	0.3
59.05003	0.9
67.05494	0.7
69.03440	2.6
69.07056	0.6
70.06583	0.7
71.01322	0.6
71.55383	0.4
72.08145	2.4
73.00843	0.4
79.05492	0.7
81.03433	2.8
81.07061	1.4
82.06577	1.4
83.04987	4.6
84.08152	0.8
85.02906	2.4
86.06071	100.0
89.61350	0.4
91.05481	1.1
93.07060	0.7
94.89111	0.4
95.04957	0.6
95.08618	0.5
97.02870	2.2
97.06528	0.9
98.37840	0.4
99.04451	1.1
100.07607	0.6
101.02399	1.1
101.06026	8.3
105.07039	0.9
107.08613	1.1
109.02888	2.2
109.10118	0.7
110.06064	1.0
111.04443	8.8
116.07075	0.5
119.08646	0.5
121.10120	0.5
126.09159	0.7
127.03912	5.6
128.25885	0.4
129.05493	8.2
131.08586	0.4
133.10107	0.4
137.05989	0.5
145.04968	0.9
145.10172	0.5
147.06523	5.1
151.07541	0.9
154.08647	10.8
157.10106	0.5
161.13371	0.5
172.09706	1.7
187.11156	0.4
212.16353	0.5
213.12402	0.5
222.48703	0.3
237.07552	0.4
247.16766	0.4
250.42632	0.4
255.08669	1.6
273.09692	7.0
284.28662	0.4
291.10669	2.9
298.12952	1.0
316.13852	2.9
323.90955	0.4
334.14932	2.3
420.13120	0.6
420.18671	7.9
462.19687	5.0
588.31183	2.0
588.40985	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.5
53.03931	4.8
55.01879	11.6
55.05515	32.5
56.65719	2.7
57.03432	15.6
57.07058	4.4
62.27343	2.2
65.03924	4.0
67.05505	92.4
69.03432	4.2
69.07067	19.3
71.01343	6.9
71.04984	5.1
71.55846	2.2
71.56257	3.3
79.05488	56.8
81.03416	28.1
81.07061	64.2
83.04993	11.4
83.08627	11.3
85.06519	3.1
91.05479	38.9
93.07043	48.6
95.04967	72.1
95.08608	44.5
97.06532	5.6
97.10144	11.4
105.03326	3.2
105.07029	27.3
107.00941	2.4
107.04943	16.6
107.08588	35.8
109.02876	16.1
109.06499	7.4
109.10172	24.6
111.04477	2.2
111.08067	4.6
117.07012	18.6
119.08578	25.2
121.06491	8.2
121.10135	22.5
123.03570	4.7
123.04427	67.6
123.08026	3.5
123.11716	6.1
125.09605	9.1
128.06238	3.8
129.06993	12.4
131.04886	6.9
131.08583	23.7
133.06485	6.2
133.10155	14.6
135.08014	9.1
135.11707	17.8
137.05994	3.6
142.07874	2.6
143.08585	11.8
145.06447	7.8
145.10114	27.2
147.08047	9.0
147.11687	14.3
149.05983	2.8
149.13278	6.7
153.09079	7.9
155.08569	6.4
157.10103	7.0
159.11664	7.8
161.09637	4.1
161.13252	6.7
163.11169	22.5
169.10136	5.0
171.11682	10.2
173.09633	11.9
173.13289	4.1
175.14896	4.3
181.10136	3.1
183.11629	4.8
185.13274	3.5
187.14767	3.3
189.11227	3.0
189.12764	17.0
191.10654	8.1
195.11771	4.2
199.11200	3.1
205.12199	2.9
206.10809	2.5
207.13853	13.2
217.12173	10.8
227.12962	2.6
235.13303	100.0
237.76395	2.5
239.17711	2.4
261.22125	9.2
309.16959	55.9
335.25787	91.4
477.33694	4.6
551.37085	5.1
569.38379	82.0
587.40192	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	587.3217
Annotation	CHEBI:65752
Peak:m/z	Relative Intensity
53.03932	7.1
55.01857	13.2
55.05511	34.2
57.07076	29.7
65.03938	5.7
67.05489	15.6
69.07064	8.6
71.56090	6.3
79.05485	23.3
81.03399	15.7
81.07043	17.0
83.04990	54.2
91.05479	36.3
93.07032	20.7
95.04981	19.5
95.08585	13.1
97.06523	6.4
103.05465	26.2
105.03378	9.5
105.07017	36.5
107.04960	12.2
107.08596	17.7
109.06492	10.1
109.10126	6.3
115.05467	10.1
117.07048	21.8
119.08582	30.4
121.06494	15.8
121.10161	8.5
123.04395	4.8
123.08105	7.4
128.06207	6.8
129.06989	17.2
130.07797	5.3
131.04932	63.1
131.08539	23.7
133.06442	8.2
133.10173	21.8
135.08073	20.6
135.11848	3.8
141.06992	9.2
142.07751	14.0
143.08595	23.9
145.06471	17.0
145.10103	16.3
147.08052	74.4
147.11699	6.2
149.09630	4.2
153.06996	4.1
155.08543	11.2
156.09323	9.3
157.10153	24.5
158.07310	5.2
158.10878	4.8
159.08054	36.9
159.11670	14.2
161.09634	37.7
163.07568	56.4
165.06992	7.9
165.09160	6.6
167.08546	8.5
168.09291	5.4
169.10141	18.9
170.10916	5.8
171.08057	12.0
171.11676	28.8
173.05943	7.2
173.09595	24.7
173.13268	7.3
175.07545	11.1
175.11154	8.5
177.09109	4.6
179.08508	8.0
180.09325	5.4
181.10100	10.4
182.10866	5.6
183.08047	7.3
183.11714	24.8
185.09663	16.9
185.13211	16.6
186.10384	4.1
187.07570	5.8
187.11180	12.3
189.09125	11.7
189.12727	4.6
192.09293	4.4
193.10039	10.3
194.10680	5.8
195.07971	4.5
195.11687	14.3
197.09560	12.3
197.13217	16.6
199.11150	17.3
199.14912	6.6
200.11885	6.4
201.09068	3.9
201.12772	8.4
203.10594	7.2
203.14325	3.8
206.10971	6.2
207.11668	12.9
208.12485	4.2
209.09674	7.3
209.13255	10.3
211.11127	14.9
212.12077	5.3
213.12729	14.0
215.10707	4.4
215.14287	15.1
217.12169	5.8
219.11664	4.8
220.08893	4.3
220.12453	5.1
221.13292	7.9
222.10347	4.6
223.11195	21.0
224.11812	5.1
225.09207	4.2
225.12775	11.1
227.14226	12.6
229.12222	20.7
231.13884	6.4
233.09674	5.2
234.13965	4.9
235.14844	5.9
236.28601	4.1
237.12749	7.5
242.99661	4.4
243.11610	6.2
243.13823	10.8
245.13199	8.6
246.14101	5.2
247.11136	5.1
247.14859	6.9
249.12747	7.2
257.13220	6.4
261.12610	8.3
261.16580	5.7
263.14291	12.6
265.16037	5.8
272.11749	5.0
273.12598	8.8
274.13602	5.5
275.14297	10.1
277.16046	4.0
287.14325	8.3
293.15408	5.5
298.13593	5.4
301.15756	9.6
303.17493	5.4
311.14276	4.7
312.15302	5.0
313.15802	7.9
323.14288	8.0
327.17447	10.4
329.18823	5.9
331.16577	4.7
338.16806	6.5
341.19012	6.6
343.20526	9.7
345.18341	11.3
353.19046	21.8
356.17389	4.5
359.20328	4.4
361.21555	8.5
363.19363	6.0
371.20090	35.9
374.18036	4.7
377.21060	7.1
387.19437	5.5
389.21170	59.0
405.20648	11.5
407.22302	32.7
449.23447	22.6
465.22424	6.8
467.24051	15.0
519.02850	4.0
551.22144	6.4
551.30090	100.0
569.31244	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	587.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.05519	30.3
55.48466	2.6
65.03929	4.9
67.05490	12.8
69.03415	9.7
69.07055	4.9
70.80304	4.3
70.80649	6.0
71.05002	3.6
76.16866	2.9
76.38976	3.2
79.05503	19.7
81.03413	6.8
81.07064	17.1
83.01316	3.0
83.04985	36.9
85.02901	6.3
91.05476	32.2
93.07039	23.8
95.04965	13.7
95.08611	17.0
97.06528	8.3
103.05479	21.8
105.07040	33.4
107.04930	4.5
107.08593	20.9
109.06550	17.7
109.10167	4.9
115.05430	3.9
117.07030	17.1
119.04966	3.8
119.08597	31.9
121.06496	9.1
121.10143	9.1
123.04440	3.3
123.08086	5.4
128.06223	7.1
129.06990	9.3
130.07825	4.1
131.04950	57.8
131.08572	29.6
133.06508	4.7
133.10147	23.4
135.08055	11.0
137.06001	5.1
141.06989	6.7
142.07779	14.2
143.08601	22.7
145.06471	9.2
145.10124	40.6
147.08054	10.6
147.11690	6.7
149.05984	3.7
149.09619	13.0
154.07811	4.3
155.08539	12.9
156.09343	13.5
157.06517	4.5
157.10133	42.2
158.10870	5.1
159.08092	13.8
159.11688	25.0
161.05998	7.7
161.09602	13.9
161.13292	3.1
163.07509	6.9
163.11241	4.6
165.07059	7.7
166.07837	4.5
167.08537	7.5
168.09413	6.8
169.10143	45.1
170.10909	10.7
171.08026	8.1
171.11693	49.9
172.08824	3.2
173.06078	2.8
173.09637	18.3
173.13226	15.4
175.07562	5.1
175.11215	5.0
177.09149	7.7
179.08527	7.8
180.09383	5.6
181.10172	14.6
182.10899	4.5
183.08064	3.7
183.11699	100.0
185.09593	11.2
185.13284	32.4
187.07376	4.7
187.11166	13.9
187.14821	5.3
189.09052	5.8
189.12775	4.6
191.07034	5.0
191.10651	11.1
193.10172	11.0
194.10852	7.2
195.11716	30.0
197.09692	6.0
197.13283	22.8
199.11226	10.7
199.14792	5.5
201.12796	7.7
205.10233	7.2
206.10855	4.4
207.11810	16.2
208.12369	5.0
209.09636	6.5
209.13232	28.2
210.14249	3.3
211.11234	6.9
211.14793	10.0
213.12794	24.9
215.10709	3.8
215.14278	5.2
218.10973	4.7
219.11703	11.9
220.12560	5.4
221.13245	14.3
223.14774	14.0
225.12816	6.4
229.10216	5.4
229.12311	5.5
230.10927	4.4
231.11877	5.9
231.13823	12.8
232.12477	6.5
233.13210	8.8
235.14827	16.7
237.16393	9.5
239.14331	5.3
241.12283	4.3
243.11639	4.6
243.13858	4.4
244.12540	4.5
245.13171	6.1
245.15399	6.9
246.13989	7.4
247.11148	6.4
247.14847	12.9
248.11906	4.7
249.12834	4.2
249.16454	14.8
253.15974	4.9
255.11697	3.9
258.14096	4.3
259.14975	4.7
260.15613	3.8
261.12839	3.6
261.16400	8.5
263.17984	6.1
267.17303	4.6
270.14093	3.8
271.14731	3.4
275.14090	3.7
277.15909	4.7
277.19473	3.6
279.17535	5.3
279.20953	3.2
285.12720	4.1
287.14053	3.4
289.16031	4.0
289.19434	4.0
291.17334	3.0
295.17004	4.2
299.14606	3.7
301.15860	4.9
303.17508	4.6
305.15063	3.8
307.20486	12.2
309.18448	8.1
315.17471	4.1
331.16937	6.3
333.18427	15.0
335.19855	5.0
337.21704	8.3
343.20560	7.0
345.18304	5.0
345.22180	4.8
347.20056	8.3
349.17957	6.0
349.21777	4.2
351.19543	5.2
361.18002	4.0
361.21722	24.8
363.23190	10.8
365.21143	9.0
373.21628	19.1
375.20001	3.6
379.22702	7.6
391.18542	5.1
391.22769	45.3
403.18683	4.6
405.20404	7.3
409.23911	33.0
421.20047	11.6
423.21536	5.4
427.25116	7.4
439.20856	4.7
451.20822	4.7
469.22134	5.8
487.23422	5.1
509.29263	5.2
587.30634	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	587.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01866	12.0
55.05514	35.1
65.04980	4.4
66.19730	4.9
67.05513	18.0
69.03418	11.4
69.07079	6.0
69.64193	14.0
69.64597	12.5
71.04984	5.4
78.56602	4.1
79.05499	36.6
81.03426	22.5
81.07043	7.6
83.04982	47.4
91.05479	34.9
92.05837	4.8
93.07054	24.2
95.04967	32.1
95.08603	31.2
97.06551	5.1
103.05484	52.9
105.03398	17.4
105.07032	30.0
107.04946	20.3
107.08613	15.5
109.06530	18.1
115.05479	12.8
117.07034	17.7
118.91152	4.7
119.04969	5.5
119.08582	34.5
120.08935	4.4
121.06510	8.1
121.10152	9.1
123.08029	5.7
128.06218	9.6
129.06985	14.1
131.04021	7.5
131.04941	100.0
131.08563	18.9
132.08957	5.4
133.06512	18.1
133.10172	24.4
135.08063	22.0
137.06029	4.3
141.06897	10.9
142.07784	17.7
143.07506	3.7
143.08588	29.5
143.74431	4.0
145.06508	23.4
145.10143	32.1
147.08066	56.9
148.08401	6.3
149.08521	4.2
149.09642	9.6
153.06917	4.9
155.02092	3.9
155.08572	14.8
156.09334	14.5
157.10156	48.8
159.08037	17.1
159.11743	16.1
161.06052	14.7
161.09636	18.6
163.07564	20.2
163.11200	17.9
165.07037	8.3
166.07770	10.2
167.08589	8.2
168.09370	7.9
169.10165	31.9
170.10918	7.8
171.08124	10.1
171.11681	43.2
173.09666	24.5
173.13298	12.4
175.07588	11.6
175.11154	9.5
179.07166	5.1
179.08574	10.4
180.09299	9.1
181.10095	32.9
182.10889	6.5
183.08087	4.5
183.11707	50.9
185.09645	16.2
185.13289	20.5
187.11191	18.5
193.10147	13.7
195.11678	16.6
197.09624	14.3
197.13232	13.7
198.10413	4.6
199.11180	38.7
201.09129	5.3
201.12756	13.7
203.10606	6.8
205.10211	7.7
206.10889	11.6
207.11707	19.0
209.09625	5.1
209.13303	16.8
211.11209	14.8
211.14655	4.7
213.12761	17.0
215.10643	9.7
215.14412	6.5
217.10226	6.5
217.12337	4.8
219.11719	10.6
220.12442	5.4
221.13229	17.2
223.11224	9.4
223.14792	10.5
224.11795	4.9
225.09171	9.0
225.12808	6.5
229.12173	8.8
231.11696	12.5
231.13678	4.9
232.12459	7.8
233.13304	8.6
235.14757	11.3
237.12709	11.1
237.16367	6.4
243.13947	5.2
245.09508	5.8
246.14015	10.1
247.14891	12.7
249.12611	8.1
249.16501	6.2
251.14417	7.8
255.13895	5.5
261.12711	5.4
261.16409	6.7
263.14340	9.1
265.15894	9.2
271.14926	7.3
272.15533	4.6
273.12582	6.5
273.16354	5.2
275.14215	13.4
275.17545	4.7
277.15588	7.5
279.17358	11.1
285.12506	4.9
287.14087	5.4
289.15775	6.6
291.17471	10.3
293.15253	4.6
303.17297	6.5
311.14279	5.3
313.15649	4.7
315.17474	7.5
329.18988	8.3
331.16797	9.2
333.18512	15.7
337.21490	8.2
341.18549	5.3
343.20547	24.8
345.22098	6.8
347.19873	15.0
349.17923	9.9
355.20480	8.8
361.21735	15.5
373.17529	8.3
373.21637	67.5
375.19467	6.0
379.22458	6.9
390.21176	5.7
391.22675	59.6
403.19174	11.7
409.23795	46.8
421.20383	21.0
427.24435	6.7
439.21191	15.1
497.39090	4.3
587.25739	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	587.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	3.2
53.03946	3.7
55.01865	7.6
55.05314	2.7
55.05518	29.6
55.70720	2.7
57.03421	3.2
60.14781	3.1
67.05504	15.7
69.03416	8.2
69.07066	8.4
69.11383	2.9
71.55534	2.8
76.32576	2.8
79.05499	21.8
81.03406	10.2
81.07062	27.6
83.04492	3.1
83.04980	61.2
85.02929	7.1
91.05489	32.2
93.07045	22.2
95.04965	15.7
95.08592	19.8
97.02872	3.3
97.06535	8.8
99.04462	4.1
103.05462	22.1
105.03405	7.0
105.07034	43.0
107.04927	11.2
107.08615	28.6
109.06516	20.1
111.04441	6.1
111.08134	2.8
115.05445	10.9
116.06296	2.7
117.07034	24.5
119.04945	4.9
119.07794	4.1
119.08586	42.0
121.06505	8.6
121.10171	13.5
123.04429	4.4
123.08065	9.2
125.06007	5.6
128.06224	11.1
129.07011	18.9
130.07747	4.9
131.04941	38.9
131.08578	31.0
133.06497	14.4
133.10130	29.9
135.08046	12.0
135.11655	3.3
137.06003	8.8
137.09624	4.4
141.06961	8.9
142.07770	16.5
143.08554	34.4
144.09329	4.1
145.06485	12.6
145.10124	37.6
147.08003	14.9
147.11705	8.2
149.05978	4.8
149.09598	10.1
153.07036	3.8
154.07690	3.5
155.08540	16.2
156.09358	21.7
157.06425	4.8
157.10123	44.5
158.10928	3.7
159.08080	18.4
159.11690	22.5
161.05974	9.7
161.09641	19.1
161.13226	3.4
163.07518	8.4
163.11165	7.4
165.06978	9.2
165.09114	3.5
166.07704	3.0
167.08553	7.0
168.09315	9.1
169.10132	51.7
170.10875	17.8
171.08038	15.9
171.11687	63.0
173.05957	4.4
173.09598	23.2
173.13274	16.4
175.07475	3.9
175.11189	7.2
177.09171	7.7
177.12872	3.3
178.07726	5.3
179.08572	9.1
180.09352	7.9
181.10112	16.6
182.10898	10.5
183.11700	100.0
184.08876	3.3
184.12164	2.7
185.09683	16.4
185.13263	42.8
187.07576	5.7
187.11316	13.7
187.14844	4.1
189.09116	7.6
189.12753	4.4
191.08543	5.3
191.10678	9.2
192.09331	6.4
193.10213	15.7
193.11983	3.5
194.10889	9.8
195.11690	37.5
196.12451	5.1
197.09608	11.0
197.13239	23.0
198.10130	2.8
199.11203	21.0
199.14786	5.9
200.98076	2.7
201.09064	4.9
201.12735	10.8
203.08614	3.0
203.14304	3.4
204.09322	5.4
205.10167	7.3
205.12019	3.1
206.10878	8.0
207.11742	21.4
208.12479	5.8
209.09654	6.8
209.13301	26.7
211.11183	8.9
211.14801	8.7
213.09186	3.9
213.12764	43.2
215.10669	4.3
215.14253	6.6
217.10207	7.4
217.12190	6.5
218.10913	7.5
219.11658	11.4
219.13744	3.8
220.12469	9.7
221.13312	28.4
222.10580	3.5
222.14034	3.9
223.11192	8.0
223.14786	13.1
225.12766	7.1
225.16315	4.9
227.10635	4.3
227.14372	3.7
229.10164	5.3
229.12209	5.4
230.10826	4.3
231.11627	10.4
231.13815	13.6
232.12410	10.7
233.13309	16.9
233.15147	3.1
234.14000	5.4
235.11180	6.0
235.14874	17.3
237.12704	4.5
237.16432	4.8
239.14265	4.4
241.15874	3.7
243.13788	9.8
244.12421	4.3
245.13161	8.9
245.15294	15.7
246.13998	8.1
247.11089	6.2
247.14909	14.7
248.15425	4.0
249.12660	4.8
249.16360	13.1
250.17119	3.2
251.14275	5.6
251.17992	4.6
253.15785	3.5
253.19528	3.2
257.13138	6.6
257.15564	4.6
258.14063	6.4
259.11130	5.4
259.14777	6.0
260.15802	3.5
261.16367	9.6
263.14334	4.0
263.17783	6.6
265.12296	2.9
265.15878	5.1
267.11649	3.6
267.17380	4.7
268.12460	3.5
269.13043	2.9
272.15643	4.0
273.14972	10.2
275.14386	5.1
275.17874	5.2
276.14914	4.9
277.15912	7.4
277.19370	5.4
279.13904	4.2
279.17429	5.5
279.21201	3.0
285.12482	3.3
285.16357	6.4
287.17892	4.8
289.15924	3.4
293.15573	4.1
299.14252	4.3
303.17239	3.7
305.18857	7.3
307.17108	6.3
307.20587	9.5
309.18475	7.0
315.17221	8.8
315.20798	4.3
317.15390	5.2
319.16901	6.7
321.18585	5.0
325.21631	5.6
329.18994	7.7
331.16696	8.9
333.18564	13.7
337.21683	4.9
343.20642	4.0
345.18448	6.5
345.22153	4.2
347.19952	12.4
349.17914	5.6
349.21722	7.0
355.16757	3.6
357.18506	5.4
359.16196	3.5
361.17798	4.0
361.21631	22.6
363.23203	7.5
365.21121	7.9
369.20505	11.3
373.17505	4.6
373.21527	16.5
377.17255	3.9
379.22610	9.6
389.21268	4.8
391.18652	4.8
391.22818	39.1
403.18857	4.3
405.20654	4.7
407.21912	4.0
409.23938	31.8
417.20447	3.8
427.24564	4.5
435.21625	5.5
437.19159	4.5
439.20786	3.7
451.21045	6.4
469.21899	5.8
487.23486	5.5
494.92477	3.4
509.28607	4.7
543.30334	3.3
569.30206	6.0
577.58746	4.1
587.29651	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	587.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.4
55.01873	5.9
55.05269	3.8
55.05513	57.7
59.72436	3.6
66.38235	2.8
67.05487	12.1
69.03432	5.1
69.07059	11.5
70.72115	8.9
79.05488	20.5
81.03419	10.4
81.07069	21.6
83.04987	84.3
85.02904	8.0
91.05475	30.7
93.07046	30.6
93.58511	3.1
95.04978	15.3
95.08625	24.7
97.06528	9.7
99.04455	7.0
103.05443	11.1
105.03418	5.1
105.07037	48.4
107.04924	7.7
107.08586	29.8
109.06536	22.4
109.10165	3.9
111.04422	4.8
115.05495	9.7
117.07025	19.0
119.08599	46.4
121.02859	3.4
121.06496	10.4
121.10155	9.1
123.08075	4.5
123.80154	3.5
125.05971	4.2
128.06223	12.2
129.06992	14.1
131.04924	14.2
131.08577	29.2
132.09013	3.9
133.06479	11.1
133.10133	32.5
135.08032	10.9
137.05992	4.9
137.09663	4.3
141.07018	4.7
142.07793	13.4
143.08566	29.3
145.06490	9.3
145.10127	43.0
147.08052	18.1
147.11682	11.5
149.09595	10.8
151.07542	5.5
153.06961	5.3
154.07726	5.6
155.08580	21.2
156.09343	18.4
157.06592	3.5
157.10123	45.6
159.08096	18.0
159.11717	26.8
161.05948	3.9
161.09657	18.3
163.07558	12.5
163.11171	3.9
165.07025	11.3
167.08591	8.9
168.09334	8.9
169.10149	58.7
170.10878	10.9
171.08044	12.7
171.11690	66.2
172.12448	3.7
173.05984	3.9
173.09648	20.3
173.13246	7.2
175.07532	6.1
175.11195	4.5
177.09062	15.2
179.08534	13.0
180.09395	5.4
181.10138	21.3
182.10919	5.1
183.08115	7.2
183.10060	5.1
183.11699	100.0
184.08913	4.2
184.12340	4.9
185.09602	12.4
185.13274	41.1
187.11168	11.2
187.14845	5.8
189.09180	5.7
191.10670	9.1
192.09363	5.6
193.10106	12.7
194.10959	6.7
195.11728	36.6
196.12457	6.6
197.09637	9.2
197.13264	29.7
198.10410	3.3
199.11174	20.9
199.14841	5.1
201.09116	3.3
201.12711	11.7
203.08566	3.9
203.10782	3.6
203.14429	4.3
205.10187	8.3
206.10966	7.6
207.11771	22.1
208.12457	4.9
209.09648	4.6
209.13248	29.0
210.14047	3.6
211.11206	12.7
211.14761	6.5
213.09290	3.5
213.12767	30.5
215.10677	4.0
215.14301	9.2
217.12225	4.6
218.10843	5.3
219.11745	10.8
220.12428	8.8
221.13258	24.9
222.13969	4.0
223.11197	5.2
223.14845	15.3
225.12753	7.1
227.10567	3.8
229.12242	5.4
230.10901	5.6
231.11726	7.7
231.13782	14.1
232.12518	10.6
233.09723	3.8
233.13324	15.5
234.13988	7.0
235.14799	16.8
237.12689	7.0
237.16443	12.0
239.14333	5.4
241.12198	7.3
243.11642	6.2
243.13857	6.8
244.12476	4.8
245.13239	7.8
245.15486	9.1
246.13921	7.8
247.14816	11.8
248.15428	5.9
249.12642	5.7
249.16286	13.0
251.14278	8.8
253.15689	3.8
257.13339	4.2
259.13181	3.9
260.15753	3.8
261.12653	4.4
261.16406	9.8
263.14401	5.1
263.18118	5.7
265.15887	12.8
266.16507	3.2
268.12274	4.1
271.11115	4.1
271.14917	5.0
273.14966	5.3
275.14224	9.3
275.17926	8.9
277.16254	3.9
277.19504	10.2
279.17380	7.6
279.20938	4.1
287.14569	5.3
287.17853	4.2
289.15948	9.2
289.19394	5.2
291.17386	7.3
291.20541	3.7
293.15460	5.0
293.18906	3.9
295.17010	4.4
299.14261	4.3
299.17810	5.3
303.17355	8.9
305.15695	3.6
305.19046	4.4
307.17245	6.6
307.20706	9.2
309.18472	6.4
315.13974	3.9
315.17508	7.4
315.21054	3.5
319.20547	3.7
321.18552	5.9
325.21664	6.8
329.18939	3.9
331.16806	10.4
333.18405	14.1
335.16373	5.1
335.23752	3.8
337.21426	9.0
343.20453	6.6
345.18506	6.4
345.22086	3.5
347.19916	9.3
349.17853	9.7
349.21738	5.4
357.18652	5.7
361.21671	26.7
363.19470	6.1
363.23380	7.6
365.20956	5.5
373.17566	5.2
373.21588	21.9
379.22617	12.0
391.18478	5.0
391.22781	41.7
395.52316	3.9
405.20587	5.1
409.19058	5.4
409.24210	25.8
415.10147	3.8
417.20404	4.5
433.20325	4.1
445.43112	4.0
527.30219	3.7
587.26440	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	587.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.7
51.02375	2.0
53.03952	9.1
55.01877	2.8
55.05505	2.2
57.03410	0.8
58.06611	0.9
65.03946	0.7
67.05506	2.1
69.03445	1.4
69.07071	0.9
71.04997	0.7
71.55631	0.6
73.42197	0.6
77.03931	2.2
79.05500	3.6
81.03425	2.7
81.07065	1.9
83.04990	4.3
85.02900	0.7
85.06562	0.5
91.05476	5.5
93.07056	2.9
95.04976	13.6
95.08608	2.1
97.06545	1.3
103.05469	7.5
105.03399	100.0
105.04543	3.9
105.07024	6.0
106.07349	0.6
107.04969	2.1
107.08591	2.5
109.06525	2.1
115.05495	1.0
116.06314	0.5
117.07021	4.1
119.08593	7.5
121.06536	1.8
121.10149	1.3
121.51617	0.5
128.06216	1.5
129.07019	2.8
130.07788	0.5
131.04935	16.8
131.08556	4.5
133.06499	2.4
133.10149	3.6
135.08064	2.5
137.05879	0.6
141.07016	1.5
142.07814	1.2
143.08540	3.6
145.06490	2.4
145.10159	2.9
147.08061	7.1
147.11723	1.1
148.08430	0.8
149.05992	1.1
149.09668	1.4
153.07109	0.6
155.08485	1.3
156.09364	2.2
157.06570	0.6
157.10139	6.2
158.10498	0.6
159.08066	4.2
159.11693	5.4
160.08476	0.6
161.05916	0.8
161.09641	3.6
163.07541	4.1
164.07925	1.2
166.07782	0.6
167.08539	1.4
169.10114	4.1
170.10835	1.1
171.08070	1.7
171.11697	4.9
172.08801	0.7
173.06023	0.9
173.09677	2.5
173.13272	1.6
175.07549	6.5
175.11232	0.7
177.09174	0.7
178.07872	0.8
179.00697	0.6
179.08588	1.8
181.10112	2.1
182.10728	0.6
183.08128	1.4
183.11700	4.6
184.12088	0.6
185.09680	2.2
185.13272	2.3
187.07567	1.3
187.11201	3.4
189.09074	1.3
191.08566	0.7
193.10155	1.7
194.10971	0.5
195.11732	1.9
196.08925	0.6
197.09608	1.9
197.13319	1.5
199.11130	3.9
200.11774	0.7
201.12804	1.1
201.16409	0.7
205.10063	0.7
206.10881	0.9
207.11728	1.7
208.12595	0.7
209.09570	1.4
209.13313	1.7
210.14015	1.0
211.11127	1.5
213.09171	0.8
213.12791	3.4
215.14359	0.9
217.10173	1.1
218.10878	0.8
219.11731	1.3
220.12415	0.9
221.09602	0.7
221.13309	2.1
223.11179	2.3
223.14740	1.5
225.12624	1.2
227.10674	0.8
227.14302	1.1
229.12305	0.8
230.10893	0.7
231.11714	1.2
231.13803	0.8
232.12558	1.0
233.13257	1.3
235.11224	1.1
235.14946	1.1
237.12694	0.9
237.16333	1.0
239.10744	1.0
241.12224	1.1
243.11739	1.2
245.09715	0.7
245.13120	0.8
246.10313	0.9
247.14833	0.7
249.12773	0.7
249.16414	0.8
251.10596	0.7
251.14427	0.7
255.11493	0.8
255.13928	0.7
257.13345	0.8
258.14090	0.8
259.11188	1.0
260.11920	1.0
261.12857	1.2
265.12485	1.0
265.15866	0.8
271.11368	0.7
271.14755	0.6
273.12796	1.4
273.16196	0.8
275.14343	1.1
277.12045	0.9
277.15942	0.7
279.13974	0.8
285.12698	1.1
287.14261	1.1
289.15805	1.0
297.12729	1.6
299.14230	1.0
301.15851	1.9
303.17252	0.7
311.14319	1.3
312.11404	0.7
312.15076	1.4
313.12234	1.2
313.15778	0.9
313.19400	0.7
315.13855	1.7
315.17252	1.0
317.17984	0.9
319.17059	1.0
325.12122	0.7
326.16559	1.2
327.17480	1.4
329.15469	1.5
331.16998	0.7
331.20630	2.0
341.18958	3.0
343.16800	1.0
345.14386	0.7
345.18475	1.3
349.21701	2.9
357.18423	1.0
359.20026	12.6
361.17709	1.0
369.18423	2.7
373.20886	0.7
377.21127	7.3
387.19553	9.3
389.20920	0.7
391.21878	0.9
405.20602	8.1
438.23538	0.7
439.68124	0.6
447.21805	1.7
456.24866	0.6
463.22855	0.9
465.22781	4.6
509.23206	1.0
551.29242	1.0
569.25415	1.3
587.26459	14.2
587.37775	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	586.374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08355	0.4
54.71869	0.3
55.01861	0.4
55.05513	4.2
58.06604	24.5
59.23361	0.3
59.48024	0.4
60.04525	1.6
67.05521	2.3
69.07065	1.5
71.04997	0.5
72.08163	1.5
74.36340	0.4
79.05495	1.6
81.03393	0.5
81.07061	3.5
83.04987	27.8
83.08637	0.9
85.02924	0.8
91.05475	2.8
93.07040	4.1
95.04967	1.2
95.08612	4.2
97.06550	1.3
98.61820	0.4
100.07619	5.0
105.07031	4.7
107.04974	0.5
107.08603	5.2
109.06525	0.6
109.10159	3.4
111.08104	1.2
114.23562	0.4
117.07039	1.2
119.08588	7.2
119.09360	0.6
121.06549	1.1
121.10147	3.3
121.24737	0.4
123.08089	2.5
123.11762	2.2
125.09672	0.4
128.06212	0.5
129.07013	1.8
131.08574	3.2
133.10121	5.2
135.08083	2.3
135.11705	1.6
137.09641	1.7
139.07550	0.5
141.07109	0.4
142.07832	1.4
143.08598	2.8
145.06519	0.3
145.10127	5.1
147.08107	1.2
147.11687	2.8
149.09633	1.8
151.11220	1.0
155.08537	1.4
156.09384	0.6
157.10136	7.6
159.11693	3.4
161.09645	1.4
161.13229	2.4
163.11211	1.4
165.12776	0.7
167.08595	0.6
169.10165	1.5
171.11690	4.9
173.09697	1.0
173.13275	2.3
175.11185	3.4
175.14854	0.9
177.12839	0.6
179.08606	0.4
179.10683	0.6
179.14426	0.5
181.10168	1.4
183.11681	2.1
184.12448	0.5
185.13298	2.3
187.11284	1.0
187.14865	1.2
189.12773	2.2
191.10599	0.5
191.14380	1.2
193.10165	0.5
195.11789	1.5
196.12625	0.4
197.13274	2.0
199.11244	1.0
199.14891	1.6
201.12776	1.1
201.16370	0.4
203.14415	1.2
207.11662	0.4
208.12459	0.4
209.13336	1.2
211.14859	0.9
213.12761	0.7
213.16489	0.6
215.14311	2.2
217.15884	0.7
221.13388	0.8
221.15482	0.7
223.14853	1.8
225.12820	0.6
225.16496	1.0
227.14539	0.6
227.17847	0.5
229.15952	0.4
231.13770	0.4
235.14807	0.6
237.16415	0.6
239.14236	0.6
241.12442	0.4
243.17532	0.5
245.15475	0.5
249.16377	0.4
251.14304	0.5
251.18028	0.8
253.15883	0.4
257.15460	0.4
265.15915	0.4
267.17599	0.7
269.19104	0.4
279.17609	0.4
281.15430	0.4
283.20810	0.5
289.19485	0.4
291.20963	0.5
293.15262	0.5
295.20584	0.4
297.18610	0.5
309.22144	4.6
315.19266	0.4
323.23703	1.1
327.23108	1.0
333.22171	0.5
347.23560	0.5
349.25317	0.4
349.89130	0.4
351.23203	1.0
365.24933	0.5
393.24249	0.7
395.25848	0.6
408.22522	0.4
421.30981	1.3
421.77057	0.4
431.29352	1.6
449.30533	4.7
455.27985	1.6
467.31882	1.8
509.32703	0.6
526.35199	1.2
553.54211	0.4
586.37402	100.0
587.38037	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59317	1.5
52.60960	1.3
55.01865	4.7
55.05507	6.9
56.05034	4.6
63.88364	1.4
65.10815	1.2
67.05502	6.4
68.05038	1.5
69.03448	7.2
69.07060	3.9
70.06596	17.4
71.15501	3.4
74.06099	8.1
79.05518	8.7
80.05029	3.0
81.03397	1.8
81.07050	9.6
82.02949	19.9
82.06584	5.0
83.01357	2.3
83.04993	8.6
83.08668	1.9
85.02917	9.3
86.06075	6.2
87.04488	3.2
91.05486	13.8
93.07053	14.5
94.06542	1.7
95.04974	12.9
95.08614	8.7
96.04507	2.1
97.02930	1.8
97.06543	1.5
98.06068	41.2
100.07635	4.2
103.05460	2.9
105.07050	21.0
107.04977	3.4
107.08585	10.8
108.04491	2.2
108.08129	1.7
109.06526	4.6
109.10175	3.4
110.06075	6.1
112.07618	2.2
115.05440	2.9
117.07011	7.2
118.74940	1.4
119.08584	21.0
121.06520	3.7
121.10139	7.9
122.06041	4.0
123.08107	2.4
124.07589	7.2
126.05530	100.0
128.06253	3.3
128.07100	8.5
128.62338	1.5
129.07054	9.4
130.08624	2.1
131.04898	2.1
131.08577	15.2
133.06531	3.7
133.10155	9.5
133.48068	1.5
135.08047	4.7
136.07573	3.7
137.09572	1.8
140.07138	2.9
141.07001	4.8
142.07811	7.5
143.08562	16.3
144.09364	1.6
145.06487	4.1
145.10141	14.4
147.08015	7.0
147.11705	3.3
149.09637	4.2
150.05508	2.3
150.09151	2.1
152.07114	2.5
153.06990	2.5
154.07671	2.2
154.08739	3.2
155.08560	9.7
155.10626	1.7
156.09328	6.4
157.10153	19.0
158.10487	2.0
159.08115	7.5
159.11702	9.1
161.05969	1.6
161.09624	7.7
163.03831	1.7
163.11322	2.0
165.07021	4.0
165.09134	2.9
166.08717	2.9
167.08601	8.6
168.06577	6.4
168.09225	2.5
169.10143	26.5
170.10939	4.7
171.08070	4.6
171.11716	15.9
172.08910	1.7
172.12025	2.2
173.09602	8.3
173.13310	4.9
175.11264	1.5
177.09119	2.6
179.08556	7.9
180.09203	2.1
181.10124	10.3
182.10750	2.5
183.08142	3.9
183.11697	19.9
184.12321	2.2
185.09673	6.0
185.13269	6.3
187.11168	6.2
191.08592	2.3
192.09344	3.1
193.10159	14.1
194.10898	3.1
195.07982	2.4
195.11708	14.3
197.09595	4.9
197.13304	10.3
199.11183	5.7
201.09013	1.7
201.12808	3.9
203.08495	2.3
204.13893	1.9
205.10147	6.2
206.10873	10.1
207.11717	15.1
208.12585	2.9
209.09758	3.8
209.13280	12.9
211.11203	6.0
211.14845	3.7
213.12775	5.8
215.08673	1.9
215.10689	1.7
216.09364	3.1
217.10147	5.8
218.10991	4.6
219.11777	12.8
220.12312	7.3
221.13286	33.2
222.13893	2.4
223.11200	5.0
223.14857	6.4
224.11852	1.5
225.12804	4.1
229.10153	3.8
230.11131	5.4
231.11711	13.1
232.12724	5.3
233.13277	16.8
234.14314	5.0
235.11179	2.8
235.14886	11.6
236.11925	1.7
237.12764	2.7
237.16443	3.2
239.14310	5.9
243.11737	4.8
244.12761	5.3
245.13246	18.2
246.14067	11.4
247.11156	2.3
247.14880	12.0
248.15553	2.6
249.12845	3.9
249.16377	11.6
251.14400	3.2
253.15868	2.1
254.11003	1.4
255.11604	3.3
256.12497	3.3
257.13367	2.7
258.11545	1.9
258.13953	8.6
259.14850	13.5
260.15576	16.0
261.12747	2.6
261.16376	10.6
262.13742	2.4
263.14279	4.3
263.17972	3.2
265.19717	2.3
269.13300	4.0
270.14645	7.8
271.14798	5.9
272.16315	5.2
273.16422	14.0
275.14828	2.3
275.17950	40.1
276.18738	6.3
277.15952	6.8
277.18945	1.7
282.14920	2.9
283.14944	3.1
284.15726	2.6
285.16275	5.8
288.15100	1.9
289.15924	2.7
293.19034	9.2
294.14743	2.4
296.16415	3.4
298.17337	1.9
299.14355	1.8
303.17389	10.4
304.18109	2.5
308.15894	1.9
311.17868	3.4
312.15857	2.9
313.16025	2.4
313.19623	5.2
321.18564	4.6
323.18045	2.9
324.16006	2.2
329.19049	1.9
336.19669	6.8
340.19205	1.6
341.19022	6.3
348.19467	1.8
364.19177	4.4
366.20969	3.0
376.23001	3.3
381.20541	2.2
386.21359	7.5
388.23059	3.8
392.26318	3.5
402.24387	69.0
404.22577	9.2
412.22812	4.5
420.25461	28.1
422.20557	4.1
426.24606	2.2
430.23816	41.2
440.20865	1.7
442.23788	4.9
443.19238	1.7
444.25192	5.4
446.23178	1.7
448.24884	28.2
454.23727	7.8
460.24835	4.9
462.26102	3.4
466.25830	3.3
472.24722	14.7
478.98480	1.5
490.25912	26.4
508.26999	49.0
526.27716	6.7
532.26874	1.7
550.28107	8.7
568.29126	32.0
586.30060	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	585.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01878	3.5
55.05517	36.9
67.05515	5.4
69.03442	9.6
69.07075	5.7
71.55819	2.3
74.83530	2.0
79.05501	12.6
81.03429	3.2
81.07063	6.0
82.30314	1.8
83.04984	52.6
91.05489	25.8
93.07050	12.1
95.04983	9.2
95.08617	5.1
97.06538	4.1
101.06042	2.8
103.05488	6.8
103.35482	1.8
105.03380	1.9
105.07041	26.4
107.04964	4.2
107.08606	12.2
109.02945	2.0
109.06519	6.7
109.10188	3.1
111.04433	10.9
111.08051	2.4
115.05461	10.9
116.16907	2.1
117.07015	28.1
118.07841	2.2
119.04987	3.9
119.08596	25.6
121.06482	9.3
121.10174	7.9
123.04436	2.8
123.08122	3.0
125.06023	4.4
127.03956	2.4
128.06255	6.1
129.07013	12.0
131.04924	15.5
131.08589	21.1
133.06487	13.1
133.10146	16.5
134.07335	2.5
135.08067	10.1
137.05998	4.6
141.07043	5.6
142.07796	9.4
143.08551	15.7
145.06494	19.6
145.10123	13.3
147.08029	11.0
147.11745	5.3
149.05959	3.6
149.09608	12.5
151.07545	3.6
153.07042	3.5
154.07838	2.2
155.08591	6.8
156.09338	11.1
157.06473	2.9
157.10153	30.8
158.07321	3.8
159.08054	14.5
159.11720	22.7
160.05176	3.0
161.06006	10.2
161.09644	10.5
161.13257	4.2
162.06839	6.4
163.07570	11.2
163.11275	2.7
165.07033	4.9
165.09206	4.1
166.07739	2.6
166.31329	1.8
167.08548	4.4
168.09369	4.1
169.06413	1.9
169.10150	17.4
170.10945	6.2
171.08116	11.8
171.11708	35.4
172.08865	3.9
173.05989	3.5
173.09608	13.5
173.13316	8.2
174.06805	3.2
175.07555	17.4
175.11217	6.0
176.08427	3.6
177.05611	2.2
177.09116	48.0
178.06302	8.8
178.07736	2.6
179.07191	2.4
179.08687	3.7
179.10695	4.6
181.10207	6.2
183.08133	5.9
183.11725	25.0
184.08899	3.4
184.12462	2.6
185.09749	9.5
185.13295	20.7
187.07668	8.9
187.09792	2.1
187.11171	13.7
188.08357	2.7
189.05510	2.5
189.09100	19.0
191.07066	5.5
191.08733	2.8
191.10660	11.9
192.09509	2.5
193.08653	24.7
193.10191	6.0
194.10973	3.8
195.08067	2.1
195.11786	8.0
197.09631	9.4
197.13364	8.4
198.10590	2.4
199.07536	5.0
199.11253	12.7
200.11804	2.3
201.09164	5.0
201.12807	5.8
203.06990	2.7
203.08798	1.9
203.10756	7.0
205.08571	9.7
205.12381	3.1
207.11848	6.0
208.12474	2.8
209.09666	4.7
209.13280	5.7
211.11243	7.8
213.09225	4.1
213.12743	23.4
215.10777	6.5
215.14372	2.7
217.08501	2.6
217.10309	3.9
217.12256	4.5
218.10956	3.1
219.09985	2.8
219.11819	4.9
220.08884	2.3
221.09602	2.3
221.13339	8.6
223.11298	4.6
223.14821	2.3
225.09253	3.3
225.12859	4.6
227.10727	6.2
229.10371	2.5
229.12135	9.3
229.25533	1.9
231.10040	3.3
231.11957	3.4
231.13956	6.4
232.12604	3.8
233.09773	2.5
233.13260	5.8
233.15456	4.3
234.10423	2.5
234.14073	2.0
235.11232	3.4
235.14893	6.0
237.12747	4.9
239.10587	2.6
241.12408	5.0
243.10022	3.5
243.13943	4.4
244.12625	5.4
245.11516	3.5
245.13585	3.6
245.15578	6.5
246.14250	2.4
247.11305	3.0
247.13243	2.8
249.12819	3.9
249.16597	3.2
251.14487	3.1
253.12393	2.2
256.12555	2.6
257.13290	5.4
258.14151	3.1
259.15009	3.1
261.12741	3.9
262.09961	1.9
263.14154	2.4
265.15842	2.4
267.14148	1.9
268.12524	2.3
269.13385	3.8
270.14221	3.9
271.14923	4.1
272.12241	2.0
272.15555	3.1
273.12604	2.9
273.15192	5.8
275.14447	3.7
277.15991	1.9
283.11469	2.6
283.14996	4.6
284.12332	2.3
284.15393	2.9
285.12784	2.3
285.16415	3.7
286.13556	2.4
287.17990	3.1
289.14935	2.4
299.14526	2.8
301.16040	2.7
303.14069	3.3
303.17496	3.2
313.15894	4.9
315.17542	3.0
317.15314	4.9
317.18875	2.0
319.17090	2.6
321.18536	3.1
329.15521	4.2
331.13409	2.5
331.17151	7.8
333.18631	4.2
343.17032	7.8
345.18628	5.8
347.16434	4.1
347.20367	2.4
349.18256	2.3
351.19891	2.7
357.18585	7.0
359.16455	4.7
359.20279	2.3
361.18085	7.7
363.15805	2.4
363.19717	2.9
373.18063	4.6
375.19733	9.5
377.17383	4.5
385.18204	4.0
387.15631	3.6
389.21417	3.6
391.19125	2.9
393.20786	5.0
403.19022	11.4
407.22308	4.6
417.20917	3.1
421.19781	15.5
423.21497	3.2
435.21848	6.7
437.19012	3.0
437.24084	3.3
439.21313	6.3
441.54919	2.0
449.23544	3.7
453.22894	5.2
465.19022	3.3
467.24527	18.4
481.22260	4.8
485.25708	15.0
553.27924	13.2
567.30157	13.6
585.30902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.2
55.01876	21.0
55.05511	25.4
60.15163	2.8
66.93892	3.2
67.05500	8.2
69.03427	9.0
69.07070	6.6
79.05496	15.0
81.03426	14.9
81.07049	7.8
83.04990	38.3
91.05486	31.1
93.07057	19.1
95.04975	20.0
95.05477	3.2
95.08614	8.4
97.06523	5.3
98.20696	7.0
103.05460	9.4
105.07032	26.0
107.04944	9.0
107.08613	20.0
109.06532	13.0
114.02491	3.0
115.05418	5.9
116.06255	4.4
117.07044	17.7
119.08594	40.0
121.06515	12.3
121.10178	6.8
123.08064	4.7
128.06247	11.7
129.07007	19.7
131.04912	5.2
131.08586	19.4
133.06468	7.9
133.10135	19.3
135.08067	14.0
141.07007	6.0
142.07791	7.3
143.08557	22.5
145.06508	11.8
145.10132	20.7
147.06935	7.2
147.08057	100.0
147.11635	5.6
149.09584	11.8
154.07730	4.1
155.08598	9.8
156.09276	8.9
157.10136	22.6
158.07265	4.5
159.08052	18.8
159.11697	10.0
161.09651	42.6
163.07552	44.4
165.09229	5.2
167.08582	5.4
169.10118	12.3
170.10912	7.1
171.08139	6.9
171.11714	33.3
173.09641	22.6
173.13268	12.4
175.07582	18.8
175.11180	4.1
178.13278	3.1
179.08566	5.2
181.10062	8.9
182.10927	5.2
183.11682	16.8
185.09598	12.3
185.13290	15.4
187.11237	9.1
187.14822	4.4
189.08965	5.8
189.12704	4.9
191.08676	3.2
191.10562	4.3
192.09402	3.7
193.10158	9.6
195.11691	9.1
197.09595	7.7
197.13263	14.4
199.11143	17.4
201.09119	3.5
201.12820	7.5
203.47717	4.0
207.11694	8.1
209.13272	10.3
211.11206	16.6
213.12781	10.6
215.10771	5.5
215.14268	9.4
216.09587	4.1
219.11923	4.2
221.09663	5.6
221.13269	9.8
223.11151	6.5
224.11958	3.2
225.12766	13.6
227.14333	4.7
229.12285	13.9
231.11748	4.9
231.13896	5.8
234.14085	3.9
235.11165	7.4
235.14862	6.6
237.12735	4.1
239.14342	4.1
241.12167	7.4
243.13820	8.8
245.15443	7.7
247.11198	6.1
247.15054	3.9
249.12715	6.0
249.16260	4.3
251.14279	4.0
259.13312	7.5
265.15784	4.1
269.15366	6.3
270.14157	6.2
271.14951	3.7
273.12695	4.3
274.13611	3.4
275.17749	4.3
285.93988	3.8
289.15533	5.2
295.17255	3.7
297.12823	5.1
299.14426	5.4
312.15167	5.3
313.15628	7.1
317.15604	3.3
317.19098	5.0
321.18362	3.9
327.17365	3.6
329.19022	6.9
331.17001	4.3
331.20679	4.0
341.18835	4.4
343.20486	13.1
345.18402	19.8
347.20120	13.3
353.19189	8.5
361.21506	9.1
363.19785	6.2
371.20132	23.6
377.20944	4.4
379.22601	6.8
389.21204	63.1
407.22235	42.7
424.22290	3.4
425.22882	11.8
431.21921	3.3
449.23126	13.1
467.24121	12.3
549.28217	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	585.3055
Annotation	CHEBI:67294
Peak:m/z	Relative Intensity
55.01858	9.2
55.05511	47.1
69.03419	6.1
69.07065	6.7
70.00664	17.7
70.01079	8.4
71.32713	4.2
79.05474	14.9
81.03400	11.0
81.07060	8.3
83.04987	72.8
89.35337	4.3
91.05496	29.4
93.07043	18.5
95.01310	5.8
95.04962	11.2
97.06476	6.1
105.07033	17.0
107.04959	6.5
107.08578	23.3
109.06532	9.5
115.05440	9.2
117.07012	19.4
119.08574	28.5
121.06496	15.1
121.10130	7.8
128.06212	5.2
129.06976	12.9
131.08543	14.9
133.06487	6.7
133.10135	18.1
135.08090	22.3
142.07767	5.8
143.08560	20.0
145.06456	11.1
145.10165	12.3
147.08047	67.0
147.11601	5.1
148.26518	4.9
149.09683	6.6
156.09369	5.5
157.10143	20.4
159.08087	16.1
159.11707	14.3
161.09612	18.9
163.07553	100.0
165.07069	5.5
165.09186	5.3
167.08588	5.7
168.09325	6.3
169.10098	10.6
171.08131	6.4
171.11700	31.6
173.09569	14.0
173.13194	8.7
175.07539	10.4
177.09183	4.9
181.10089	5.3
182.10905	6.4
183.11723	10.7
185.09569	14.9
185.13196	11.5
187.07562	5.6
187.11177	7.1
187.14848	12.0
189.12688	8.0
194.10925	5.4
195.11690	8.6
197.09608	5.1
197.13322	8.5
199.11211	7.0
201.12772	11.4
207.11642	7.3
209.13263	13.0
211.11211	5.0
213.12703	5.4
215.14320	13.1
223.11197	12.9
223.14795	5.5
225.12776	10.7
227.14348	8.0
229.12218	7.2
233.15404	6.0
243.13737	8.7
245.15442	9.9
247.93266	5.1
301.15652	5.4
313.18161	6.3
327.17288	5.7
343.20605	8.9
353.18909	11.9
361.21851	8.1
371.19861	24.0
374.18640	5.6
389.21124	42.3
395.21906	5.2
407.22205	39.8
425.23318	8.2
431.21887	6.9
449.23300	15.1
451.88217	5.2
467.24069	10.6
485.24985	7.8
495.32950	5.4
507.26788	4.9
549.28479	65.6
578.27319	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	585.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01873	17.8
55.05505	11.9
55.08177	2.0
57.03429	5.0
57.15159	1.5
57.80406	1.6
65.03942	6.1
67.05505	17.4
67.49060	1.7
68.24667	1.5
69.03432	10.1
69.07072	3.2
70.80109	2.8
71.04957	2.6
71.40814	1.9
75.04483	2.2
77.03907	1.9
79.05495	26.3
81.03423	20.4
81.07051	15.9
83.04988	22.6
85.02908	4.6
91.05486	40.1
91.55519	1.8
93.03435	2.7
93.07045	16.8
95.01321	4.5
95.04967	32.2
95.08606	16.0
96.62604	1.7
97.02885	5.4
97.06542	3.6
103.05483	12.0
105.03375	6.9
105.07036	75.7
107.04930	9.4
107.08605	14.3
107.69583	1.8
109.02842	4.8
109.06519	19.2
109.10136	3.2
111.04442	5.4
111.08102	2.6
113.06007	1.7
115.05457	20.1
116.06252	4.3
117.07027	25.4
119.04948	8.4
119.08585	31.1
121.02879	16.3
121.06505	19.6
121.10131	5.8
123.04448	5.6
123.08064	6.3
125.06027	4.2
127.07578	2.0
127.17754	1.7
128.06233	18.4
129.07022	26.1
130.07761	3.8
131.04916	8.3
131.08572	26.6
133.06491	61.7
133.10106	19.7
135.04425	3.8
135.08038	14.7
137.05977	9.3
137.09647	2.3
138.23361	1.8
139.03882	7.9
141.06993	11.4
142.07771	15.2
142.23729	1.8
143.08566	36.6
144.05673	2.0
144.09305	4.3
145.06496	25.0
145.10115	17.0
146.07310	3.3
147.04451	5.3
147.08049	44.1
147.11726	4.2
149.05972	7.5
149.09599	8.5
151.03915	3.4
151.07526	10.6
152.06085	2.5
153.05591	2.4
153.07011	7.5
154.07787	6.1
155.08546	15.0
156.09369	22.1
156.13007	1.7
157.06500	13.7
157.10126	29.6
158.07271	6.9
159.04436	3.7
159.08051	29.5
159.11679	13.3
161.05986	100.0
161.09616	26.1
163.07544	40.3
163.11169	3.8
165.05498	3.9
165.07010	7.5
165.09169	4.8
166.07779	5.6
167.08588	12.5
168.09367	5.4
169.05228	2.1
169.06467	11.2
169.10120	26.4
170.07249	5.2
170.10887	5.6
171.04361	2.3
171.08047	24.8
171.11688	37.8
172.08804	5.7
173.05980	10.4
173.09616	19.1
173.13257	5.1
175.07594	14.5
175.11200	6.4
177.05533	2.8
177.09059	2.8
178.07817	2.6
179.07045	25.3
179.08568	8.0
179.10658	2.3
180.09384	4.3
181.06502	2.7
181.10146	15.4
182.07375	3.1
182.10791	4.6
183.06731	2.1
183.08081	10.5
183.11682	18.0
184.08806	8.4
185.06004	17.4
185.09627	22.4
185.13229	11.6
186.10280	3.5
187.07564	18.0
187.11186	15.5
189.05499	3.4
189.09082	14.4
189.12756	3.1
191.07002	4.3
191.08566	2.9
192.09370	4.0
193.08551	3.5
193.10164	8.3
194.10896	3.4
195.08061	9.4
195.11736	10.9
196.08788	4.7
197.05910	4.7
197.09669	22.2
197.13321	7.2
198.10388	4.3
199.07553	15.6
199.11180	49.6
199.14865	2.4
200.11966	5.3
201.09090	9.1
201.12746	8.5
203.07004	5.9
203.08727	2.9
203.10655	4.7
205.08600	13.3
205.10201	3.0
206.10924	2.9
207.06348	3.6
207.08099	4.6
207.11685	7.4
209.09660	15.3
209.13246	6.0
210.10362	4.0
211.07591	6.0
211.11150	14.0
212.08281	4.3
213.05563	14.7
213.09192	14.9
213.12682	11.7
215.06996	2.5
215.10625	10.0
215.14224	5.0
217.08540	19.0
217.10571	2.3
217.12218	5.2
219.08292	3.7
219.10127	4.4
219.11906	3.0
220.12486	2.2
220.71887	2.0
221.09685	4.8
221.13258	4.6
223.07661	2.5
223.11205	9.2
225.09117	23.6
225.12747	5.1
226.09871	3.1
227.07114	2.9
227.10657	55.0
227.14224	4.6
228.11244	2.6
229.08559	6.9
229.12303	8.6
230.05646	4.5
230.10982	2.1
231.10152	6.9
231.13828	4.7
232.08868	2.7
233.07921	4.2
233.09886	2.8
233.13312	3.9
235.09384	9.9
235.14902	3.8
236.11844	2.9
237.09125	8.8
237.12758	6.0
239.07018	3.4
239.10674	5.1
239.14333	2.9
241.08368	3.3
241.12291	8.0
243.09915	12.4
243.13849	4.0
245.08073	84.9
245.11761	5.7
245.15436	6.0
246.10524	2.3
247.11230	3.6
247.15074	2.8
248.11905	3.6
249.09093	2.5
249.10950	10.8
251.06871	2.4
251.10722	6.5
251.14240	2.0
253.08600	5.0
253.12311	4.8
253.15967	2.5
255.10156	6.6
255.13971	3.4
257.07874	2.7
257.11810	7.3
258.14023	2.8
259.13388	7.4
261.12875	2.9
263.10696	3.1
263.14395	3.8
265.12283	4.2
265.16028	2.1
267.10031	3.5
269.11734	5.6
270.13983	2.1
271.09573	2.7
272.12045	2.3
275.14728	2.4
275.17801	3.5
277.19431	3.4
281.11829	3.2
283.10956	2.7
285.11340	7.5
287.12720	53.2
289.14603	3.0
297.12607	2.1
298.13385	4.0
299.10495	2.8
299.14218	2.5
301.15103	2.5
303.12366	7.7
303.17233	2.6
305.18933	6.8
307.68033	2.5
311.14169	2.8
313.15622	5.5
315.13791	2.8
317.15289	4.6
317.18729	2.2
323.20044	4.0
327.17303	4.9
329.13837	15.8
331.16425	2.8
341.15231	5.0
341.18903	2.5
343.12698	2.2
345.14691	3.5
345.18585	2.7
347.16177	3.1
357.14236	7.2
359.16531	9.5
359.20242	2.4
361.21664	2.2
363.15942	3.6
369.14859	4.5
369.19214	2.1
371.20059	4.9
375.15814	5.0
377.17285	5.8
387.15399	16.8
388.15161	6.5
389.16052	67.4
389.21094	9.4
397.14413	2.6
401.21219	2.9
403.15268	2.1
405.16290	12.1
405.21085	2.6
407.16907	5.9
407.22205	6.8
415.15588	3.0
417.16315	3.1
419.22751	2.8
421.16135	2.3
423.17838	2.9
425.22873	2.7
429.16711	2.5
433.16370	6.4
435.18097	3.2
437.18933	3.1
437.24026	2.8
447.17853	23.6
453.19019	6.4
461.17526	4.4
465.18884	30.9
477.18936	2.8
483.20114	31.7
507.20230	3.4
525.20917	3.4
539.22412	8.0
549.20959	12.6
549.28644	8.4
555.22217	6.4
557.23883	2.6
567.22095	21.1
585.23218	54.7
586.24213	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	585.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
55.01873	17.8
55.05505	11.9
55.08177	2.0
57.03429	5.0
57.15159	1.5
57.80406	1.6
65.03942	6.1
67.05505	17.4
67.49060	1.7
68.24667	1.5
69.03432	10.1
69.07072	3.2
70.80109	2.8
71.04957	2.6
71.40814	1.9
75.04483	2.2
77.03907	1.9
79.05495	26.3
81.03423	20.4
81.07051	15.9
83.04988	22.6
85.02908	4.6
91.05486	40.1
91.55519	1.8
93.03435	2.7
93.07045	16.8
95.01321	4.5
95.04967	32.2
95.08606	16.0
96.62604	1.7
97.02885	5.4
97.06542	3.6
103.05483	12.0
105.03375	6.9
105.07036	75.7
107.04930	9.4
107.08605	14.3
107.69583	1.8
109.02842	4.8
109.06519	19.2
109.10136	3.2
111.04442	5.4
111.08102	2.6
113.06007	1.7
115.05457	20.1
116.06252	4.3
117.07027	25.4
119.04948	8.4
119.08585	31.1
121.02879	16.3
121.06505	19.6
121.10131	5.8
123.04448	5.6
123.08064	6.3
125.06027	4.2
127.07578	2.0
127.17754	1.7
128.06233	18.4
129.07022	26.1
130.07761	3.8
131.04916	8.3
131.08572	26.6
133.06491	61.7
133.10106	19.7
135.04425	3.8
135.08038	14.7
137.05977	9.3
137.09647	2.3
138.23361	1.8
139.03882	7.9
141.06993	11.4
142.07771	15.2
142.23729	1.8
143.08566	36.6
144.05673	2.0
144.09305	4.3
145.06496	25.0
145.10115	17.0
146.07310	3.3
147.04451	5.3
147.08049	44.1
147.11726	4.2
149.05972	7.5
149.09599	8.5
151.03915	3.4
151.07526	10.6
152.06085	2.5
153.05591	2.4
153.07011	7.5
154.07787	6.1
155.08546	15.0
156.09369	22.1
156.13007	1.7
157.06500	13.7
157.10126	29.6
158.07271	6.9
159.04436	3.7
159.08051	29.5
159.11679	13.3
161.05986	100.0
161.09616	26.1
163.07544	40.3
163.11169	3.8
165.05498	3.9
165.07010	7.5
165.09169	4.8
166.07779	5.6
167.08588	12.5
168.09367	5.4
169.05228	2.1
169.06467	11.2
169.10120	26.4
170.07249	5.2
170.10887	5.6
171.04361	2.3
171.08047	24.8
171.11688	37.8
172.08804	5.7
173.05980	10.4
173.09616	19.1
173.13257	5.1
175.07594	14.5
175.11200	6.4
177.05533	2.8
177.09059	2.8
178.07817	2.6
179.07045	25.3
179.08568	8.0
179.10658	2.3
180.09384	4.3
181.06502	2.7
181.10146	15.4
182.07375	3.1
182.10791	4.6
183.06731	2.1
183.08081	10.5
183.11682	18.0
184.08806	8.4
185.06004	17.4
185.09627	22.4
185.13229	11.6
186.10280	3.5
187.07564	18.0
187.11186	15.5
189.05499	3.4
189.09082	14.4
189.12756	3.1
191.07002	4.3
191.08566	2.9
192.09370	4.0
193.08551	3.5
193.10164	8.3
194.10896	3.4
195.08061	9.4
195.11736	10.9
196.08788	4.7
197.05910	4.7
197.09669	22.2
197.13321	7.2
198.10388	4.3
199.07553	15.6
199.11180	49.6
199.14865	2.4
200.11966	5.3
201.09090	9.1
201.12746	8.5
203.07004	5.9
203.08727	2.9
203.10655	4.7
205.08600	13.3
205.10201	3.0
206.10924	2.9
207.06348	3.6
207.08099	4.6
207.11685	7.4
209.09660	15.3
209.13246	6.0
210.10362	4.0
211.07591	6.0
211.11150	14.0
212.08281	4.3
213.05563	14.7
213.09192	14.9
213.12682	11.7
215.06996	2.5
215.10625	10.0
215.14224	5.0
217.08540	19.0
217.10571	2.3
217.12218	5.2
219.08292	3.7
219.10127	4.4
219.11906	3.0
220.12486	2.2
220.71887	2.0
221.09685	4.8
221.13258	4.6
223.07661	2.5
223.11205	9.2
225.09117	23.6
225.12747	5.1
226.09871	3.1
227.07114	2.9
227.10657	55.0
227.14224	4.6
228.11244	2.6
229.08559	6.9
229.12303	8.6
230.05646	4.5
230.10982	2.1
231.10152	6.9
231.13828	4.7
232.08868	2.7
233.07921	4.2
233.09886	2.8
233.13312	3.9
235.09384	9.9
235.14902	3.8
236.11844	2.9
237.09125	8.8
237.12758	6.0
239.07018	3.4
239.10674	5.1
239.14333	2.9
241.08368	3.3
241.12291	8.0
243.09915	12.4
243.13849	4.0
245.08073	84.9
245.11761	5.7
245.15436	6.0
246.10524	2.3
247.11230	3.6
247.15074	2.8
248.11905	3.6
249.09093	2.5
249.10950	10.8
251.06871	2.4
251.10722	6.5
251.14240	2.0
253.08600	5.0
253.12311	4.8
253.15967	2.5
255.10156	6.6
255.13971	3.4
257.07874	2.7
257.11810	7.3
258.14023	2.8
259.13388	7.4
261.12875	2.9
263.10696	3.1
263.14395	3.8
265.12283	4.2
265.16028	2.1
267.10031	3.5
269.11734	5.6
270.13983	2.1
271.09573	2.7
272.12045	2.3
275.14728	2.4
275.17801	3.5
277.19431	3.4
281.11829	3.2
283.10956	2.7
285.11340	7.5
287.12720	53.2
289.14603	3.0
297.12607	2.1
298.13385	4.0
299.10495	2.8
299.14218	2.5
301.15103	2.5
303.12366	7.7
303.17233	2.6
305.18933	6.8
307.68033	2.5
311.14169	2.8
313.15622	5.5
315.13791	2.8
317.15289	4.6
317.18729	2.2
323.20044	4.0
327.17303	4.9
329.13837	15.8
331.16425	2.8
341.15231	5.0
341.18903	2.5
343.12698	2.2
345.14691	3.5
345.18585	2.7
347.16177	3.1
357.14236	7.2
359.16531	9.5
359.20242	2.4
361.21664	2.2
363.15942	3.6
369.14859	4.5
369.19214	2.1
371.20059	4.9
375.15814	5.0
377.17285	5.8
387.15399	16.8
388.15161	6.5
389.16052	67.4
389.21094	9.4
397.14413	2.6
401.21219	2.9
403.15268	2.1
405.16290	12.1
405.21085	2.6
407.16907	5.9
407.22205	6.8
415.15588	3.0
417.16315	3.1
419.22751	2.8
421.16135	2.3
423.17838	2.9
425.22873	2.7
429.16711	2.5
433.16370	6.4
435.18097	3.2
437.18933	3.1
437.24026	2.8
447.17853	23.6
453.19019	6.4
461.17526	4.4
465.18884	30.9
477.18936	2.8
483.20114	31.7
507.20230	3.4
525.20917	3.4
539.22412	8.0
549.20959	12.6
549.28644	8.4
555.22217	6.4
557.23883	2.6
567.22095	21.1
585.23218	54.7
586.24213	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	585.2712
Annotation	kirkinine D
Peak:m/z	Relative Intensity
50.28074	0.5
55.05509	0.9
56.16937	0.5
57.07069	1.2
67.05513	1.6
69.07066	1.2
71.55467	0.8
79.05493	1.2
81.07059	1.6
91.05499	1.6
91.08591	0.6
93.07052	2.4
94.06558	1.0
95.08611	2.2
98.11958	0.5
105.07042	2.5
107.08606	1.6
109.10146	0.9
117.07012	0.8
118.47034	0.7
119.08625	1.4
120.08108	1.3
120.08897	0.8
121.10125	1.2
131.08595	0.7
133.10081	1.0
142.01556	0.6
143.08531	1.0
145.10147	1.4
148.12177	0.7
156.09306	0.8
157.10165	0.6
159.11742	1.3
167.10735	0.7
169.10112	0.8
170.08478	0.6
171.09167	0.9
173.10831	0.9
173.13371	0.8
180.53038	0.6
183.09212	0.9
184.10094	1.0
185.13293	0.6
195.09206	1.1
196.10033	0.8
197.10719	2.8
199.08705	0.6
209.10802	1.9
210.11526	1.0
211.12305	1.6
212.13109	1.3
221.10753	1.1
222.11580	1.1
223.12379	2.4
224.13162	1.4
225.10396	0.8
225.13889	4.1
226.14793	0.9
227.08199	0.8
235.12341	0.8
237.10374	1.3
237.13965	2.9
238.11043	0.6
239.15395	0.8
249.10199	0.9
249.13983	1.3
251.11812	1.0
265.13492	1.1
269.12906	0.7
275.15543	0.8
283.11307	0.9
289.77811	0.7
299.14307	0.8
300.63318	0.6
303.40024	0.6
304.15070	0.8
314.16486	1.1
315.13501	1.4
328.14398	0.8
330.12357	1.0
345.15042	0.8
358.19650	0.6
377.17825	1.6
378.18698	1.0
391.19254	1.4
393.20633	0.7
402.18085	1.0
404.16229	1.8
405.21085	1.0
406.17709	0.7
407.22433	1.3
409.60947	0.6
419.18686	1.8
422.17264	1.1
423.18222	0.9
433.20142	1.8
434.20743	5.1
435.22021	1.2
437.19980	1.9
447.22137	1.0
448.23135	0.7
449.23517	2.3
451.21429	1.2
452.22260	0.8
463.24893	1.2
465.23206	1.3
479.20792	1.3
480.21332	1.0
489.23285	0.7
491.24774	4.8
493.22324	6.7
507.24551	0.9
511.23706	1.3
517.22339	1.9
518.23035	0.8
521.25775	1.0
523.27271	1.4
524.24670	0.8
525.25238	1.4
535.23352	1.2
539.26709	2.1
541.28296	5.1
549.25061	14.6
567.26086	100.0
568.26123	1.3
584.56165	0.8
585.27252	6.3
585.42175	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	585.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.1
55.05515	37.8
55.85880	5.0
67.05500	25.1
69.03427	30.9
69.07072	10.6
69.38277	40.3
71.04992	6.6
76.46577	4.6
79.05509	32.2
81.03398	12.1
81.07077	27.0
83.04977	38.1
83.08605	6.5
85.02892	7.7
91.05489	49.7
91.16178	5.1
93.07038	32.7
95.04965	21.3
95.08595	23.6
97.06543	8.5
97.10193	8.0
103.05486	16.2
105.03362	6.6
105.07034	53.2
107.04967	11.2
107.08591	24.5
109.02881	13.7
109.06532	12.2
109.10143	9.1
115.05440	10.8
116.06274	9.4
117.07014	25.6
119.08601	55.5
121.06491	13.0
121.10163	15.7
123.11749	7.8
128.06209	16.9
129.06992	19.7
131.04941	19.1
131.08583	35.4
133.06487	19.3
133.10139	31.9
135.04523	5.4
135.08099	11.9
141.06984	12.6
142.07745	18.1
143.08566	29.4
145.06482	17.1
145.10109	25.3
147.08031	27.9
149.09612	11.3
154.07813	6.2
155.08537	15.9
156.09363	17.7
157.06540	6.3
157.10141	37.9
159.04549	5.7
159.08052	23.0
159.11667	14.7
161.06033	14.4
161.09680	28.9
163.07576	11.3
165.06998	12.1
165.09085	6.6
167.08534	9.4
169.06470	6.4
169.10176	29.2
171.08075	15.1
171.11690	48.2
173.09641	25.1
173.13318	11.1
175.07582	12.1
175.11060	6.5
177.09140	12.2
179.08537	8.9
180.09309	5.2
181.10165	23.9
182.10922	8.7
183.08008	6.9
183.11708	31.1
184.08954	12.5
185.09636	23.2
185.13269	29.5
187.07608	7.7
187.11232	10.7
189.05452	12.7
189.09138	6.1
193.10164	12.5
194.10898	7.8
195.11697	15.2
197.09621	10.8
197.13271	17.2
198.10373	8.8
199.07443	7.1
199.11230	34.0
201.09203	12.1
201.12737	6.3
203.10724	6.6
207.11736	18.2
209.09564	8.0
209.13277	11.6
211.11188	13.1
213.12791	32.0
215.10606	7.2
217.08524	6.6
217.10361	6.4
219.11847	7.9
220.12405	5.9
221.13148	14.7
222.13986	6.3
223.11249	7.3
223.14877	7.3
225.09132	11.8
227.10735	6.8
229.12195	8.4
230.10742	6.6
231.11780	8.7
231.13766	7.3
233.13255	13.7
235.11191	8.3
235.14810	10.0
237.12726	10.2
239.14365	7.5
241.12306	7.4
243.11726	12.3
245.09671	6.3
245.13377	6.8
246.13904	7.9
247.14865	7.8
249.12749	9.9
249.16473	7.4
251.14339	7.7
253.12225	7.1
256.12338	9.3
257.13287	11.6
258.13916	5.7
259.14825	6.5
263.14221	11.1
265.12219	6.6
269.13165	9.0
270.14066	8.8
271.14728	9.0
274.16754	7.0
275.14359	6.6
279.13757	7.2
281.15543	6.7
283.14908	9.2
285.12762	8.4
285.16348	11.5
286.16840	6.6
287.14413	9.2
287.17905	8.7
290.14398	5.2
295.17291	7.4
296.15686	6.3
299.14252	14.5
299.17676	7.8
300.71091	5.8
301.14478	11.4
302.12839	6.3
305.15024	5.8
313.12183	9.0
313.15906	6.8
327.13840	6.0
328.14487	5.9
329.18768	10.0
331.16870	9.1
343.16769	15.5
345.14590	8.2
345.18512	12.2
347.20190	10.3
357.18335	30.3
359.16095	7.5
361.17792	14.9
363.15753	9.9
369.18372	6.9
373.17758	9.0
375.19501	29.0
385.17905	26.7
387.19617	7.4
391.18854	13.2
393.20483	9.6
398.00186	5.8
403.19040	100.0
405.20462	11.6
421.20087	79.8
439.21167	46.0
463.21231	5.6
481.22174	18.5
567.28320	20.9
585.32227	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.9
55.05510	34.3
56.05083	4.6
56.96747	4.7
65.03932	5.4
67.05479	12.7
69.03418	35.2
69.07049	13.8
70.07792	19.0
79.05505	22.9
81.03432	7.9
81.07049	18.4
83.04988	45.1
85.02889	6.5
87.56992	4.9
91.05479	46.4
93.07042	26.1
95.04967	16.7
95.08585	12.9
97.02833	6.0
97.06525	7.9
103.05476	10.3
105.03418	4.5
105.07043	50.5
107.04924	9.5
107.08585	23.0
109.02879	7.8
109.06519	14.8
109.10128	10.0
110.75777	3.9
111.08080	5.5
115.05421	13.9
117.07042	25.0
119.04948	7.5
119.08585	51.6
121.06509	8.4
121.10133	10.8
128.06213	8.7
128.38785	4.9
129.06984	16.5
131.04968	11.2
131.08591	31.4
133.06490	23.4
133.10132	32.0
135.08078	11.1
141.07001	15.4
142.07796	14.4
143.08582	33.9
145.06482	23.6
145.10149	33.0
147.08067	39.7
147.11636	6.0
149.05969	6.3
149.09607	15.1
153.06921	5.5
155.08507	18.1
156.09325	10.4
157.06470	9.6
157.10135	44.8
159.08032	23.0
159.11668	23.7
161.05975	18.3
161.09627	25.8
163.07527	14.5
163.11223	6.0
165.07095	10.4
165.09073	7.5
167.08527	10.5
168.09317	5.8
169.10129	31.4
170.10899	14.4
171.08044	15.3
171.11717	53.3
173.05936	7.2
173.09639	22.8
173.13254	7.1
175.07509	15.3
175.11131	7.5
177.09114	20.1
179.07031	6.1
179.08525	13.6
181.10104	22.4
183.07964	7.2
183.11705	34.8
184.08853	7.6
185.09599	21.9
185.13220	24.5
187.07529	10.9
187.11182	13.2
189.05467	6.9
189.09148	8.5
189.12793	5.8
191.10605	8.0
192.09256	5.6
193.10165	17.3
195.08092	6.7
195.11707	20.3
197.09598	18.3
197.13261	18.9
198.10312	5.5
199.11159	54.5
201.09041	8.3
201.12738	13.2
206.10822	6.7
207.11685	17.1
208.12300	5.4
209.09764	12.7
209.13254	14.1
210.10303	5.4
211.11165	20.6
213.09033	7.8
213.12730	29.2
215.10648	7.6
217.10258	8.7
217.12166	7.4
217.88248	4.8
218.10893	5.5
219.11673	14.2
220.12204	5.8
221.09750	6.4
221.13211	18.8
223.11234	10.1
223.14780	6.8
225.09003	7.8
225.12656	10.1
227.10631	9.2
229.10162	11.1
229.12238	11.5
230.10826	9.2
231.07933	5.6
231.11687	13.2
231.13782	16.4
232.12427	7.8
233.13222	12.7
234.13947	5.4
235.14937	11.4
237.12744	15.2
239.10634	7.4
241.12340	6.3
243.11819	7.6
243.13931	7.1
244.12431	7.9
245.09665	6.7
245.13269	15.9
246.13904	7.7
247.11234	10.7
247.14929	8.5
249.12773	9.7
249.16393	7.1
250.02412	4.8
251.14268	8.1
255.11760	7.2
256.12488	6.5
257.13254	8.4
258.14038	9.0
259.15088	8.0
260.11969	5.4
261.12881	7.2
261.16449	10.6
263.14157	5.4
265.12363	6.6
267.11526	5.8
268.12289	6.3
269.13141	9.5
271.14832	16.7
272.15582	7.5
273.12601	6.6
275.14395	11.1
282.13864	8.0
283.14847	8.9
284.15173	6.7
285.12921	9.8
285.16263	8.9
287.14301	9.0
287.17902	7.2
289.16092	6.2
291.13785	9.9
297.12744	5.7
297.16214	8.4
299.14273	10.8
300.15033	6.4
301.15802	12.3
303.13776	10.1
305.15109	6.1
311.17929	6.6
314.16354	8.3
315.17386	9.9
317.15390	10.7
319.16919	7.3
321.15045	5.4
327.13675	9.4
327.17435	7.5
329.15436	8.5
329.18985	11.2
331.16873	8.9
333.18451	11.8
343.16861	16.1
345.14694	7.6
345.18497	11.6
347.16296	7.6
347.20123	7.7
357.18442	25.9
359.16324	8.4
361.17972	15.8
363.15662	11.4
373.17975	16.6
375.19672	34.8
379.18973	6.9
385.18091	31.8
391.19003	11.5
393.20679	14.8
401.17172	5.3
403.19028	96.9
419.18344	7.7
421.20084	100.0
439.21140	52.4
463.21039	11.3
481.22168	21.8
499.23267	8.4
525.24890	6.2
567.27325	6.8
585.26251	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	585.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.8
55.01863	17.7
55.05294	6.8
55.05515	66.5
65.03947	6.7
67.05495	22.2
69.03427	54.0
69.07061	17.1
78.00143	5.7
79.05481	41.8
81.03422	12.8
81.07054	24.3
83.04988	84.6
85.02892	7.7
91.05486	72.3
91.43108	7.0
93.07045	58.6
95.04984	30.8
95.08610	27.6
97.06524	10.6
98.20805	17.9
103.05447	18.2
105.07037	91.9
107.04924	14.2
107.08581	34.7
109.02866	12.7
109.06543	16.8
109.10148	10.3
114.98707	6.8
115.05444	15.9
116.06232	8.1
117.07008	53.7
117.81258	7.1
119.04951	6.8
119.08585	79.9
121.06487	20.2
121.10153	21.7
123.04408	7.9
123.08095	9.8
128.06213	21.0
129.06985	33.9
131.04919	31.6
131.08563	65.3
133.06467	26.5
133.10146	73.7
135.08057	25.3
137.05942	12.2
137.09584	8.3
141.07008	20.5
142.07776	21.3
143.08562	58.5
145.06506	39.1
145.10133	48.8
147.08070	35.1
147.11710	9.4
149.06084	6.6
149.09610	29.1
151.07629	8.1
154.07759	9.0
155.08560	29.0
156.09357	35.6
157.10114	81.0
158.10832	6.1
159.08073	29.0
159.11702	39.1
161.05966	41.9
161.09595	62.2
163.07539	26.2
165.07018	18.4
165.09155	9.4
166.07767	7.9
167.08569	18.1
168.09305	8.4
169.10161	46.7
170.10889	18.5
171.08083	28.7
171.11685	92.5
173.05994	19.4
173.09636	34.6
173.13284	14.4
175.07520	15.5
175.11147	10.1
177.09131	27.7
179.07040	7.5
179.08585	12.7
179.10669	9.1
180.09337	11.7
181.10141	27.3
182.10835	11.2
183.08028	10.5
183.11674	64.0
185.09607	33.1
185.13254	46.6
187.07558	12.3
187.11205	28.8
189.05516	16.4
189.09081	20.1
189.12706	8.8
191.07013	8.5
191.08562	7.0
191.10631	10.5
193.10153	20.4
194.10959	6.8
195.08096	9.7
195.11697	38.3
196.12431	8.0
197.09628	26.6
197.13287	17.9
199.07416	7.9
199.11163	44.5
201.09207	11.2
201.12759	20.0
203.07008	11.3
205.10239	10.3
206.10867	8.8
207.11684	31.8
208.12459	15.1
209.09628	16.2
209.13237	18.6
211.07716	8.3
211.11119	22.8
213.09175	15.1
213.12796	57.7
215.10712	11.7
216.09309	9.6
217.08488	9.4
217.10301	10.6
217.12291	16.5
218.10945	8.8
219.11653	19.6
219.13734	8.8
220.12411	11.7
221.09808	7.7
221.13377	34.8
222.14024	9.5
223.11183	23.3
223.14812	18.7
224.11967	10.8
225.09082	11.2
225.12752	12.4
227.10657	18.3
229.10173	13.7
229.12201	15.7
230.10851	20.1
231.11726	19.6
231.13795	27.6
232.12462	14.6
233.13272	19.2
234.13992	13.7
235.11168	7.4
235.14816	23.3
237.12761	13.2
239.14333	12.8
241.12306	25.0
243.11803	15.4
244.12476	20.1
245.13300	23.7
246.14032	9.9
247.11118	8.0
247.14821	19.4
248.11867	10.3
249.12868	9.6
249.16568	9.2
251.14592	13.8
257.13498	13.2
258.14038	13.7
259.13019	14.5
259.15219	10.2
260.11896	7.4
260.15607	8.0
261.16327	14.8
263.14426	11.3
263.18167	7.0
265.12326	14.5
269.13214	8.4
270.13867	8.6
271.11075	9.2
272.15524	12.5
273.16339	13.1
275.14423	12.1
276.15042	11.5
277.15814	8.3
285.12708	8.0
286.13364	9.4
287.14462	14.1
287.17844	15.0
289.15619	10.6
291.13800	8.6
291.17337	15.4
293.15350	7.6
299.14197	10.2
301.16025	13.0
303.17374	8.6
305.15286	13.4
315.13788	13.4
315.17300	14.0
319.16840	12.7
320.17773	9.9
321.18265	9.7
329.18900	9.1
330.16138	7.3
331.16806	16.9
333.18365	8.9
337.18033	8.8
343.16949	31.6
345.14783	10.2
345.18481	13.5
347.16345	18.6
347.20190	15.4
349.17844	15.0
357.18530	35.2
359.16229	12.2
359.20157	20.4
361.17923	25.8
365.17404	10.1
371.16028	9.2
373.17929	21.4
375.19492	47.2
377.17087	8.3
377.21313	14.1
385.17947	29.3
389.21234	74.1
391.19077	19.4
393.20654	11.8
403.19070	100.0
407.22314	41.5
421.20056	87.1
439.21078	29.9
449.19513	8.9
481.22049	18.4
567.26147	29.7
585.28235	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.0
55.01879	3.6
55.05516	62.9
67.05512	9.0
69.03445	2.5
69.07091	1.6
69.18396	16.4
79.05497	17.4
81.03413	3.0
81.07072	10.5
83.04989	100.0
91.05495	23.2
93.07056	21.2
95.04989	10.4
95.08607	9.9
96.67853	1.9
97.02919	1.6
97.06526	1.8
98.21487	4.1
101.06001	3.4
103.05477	4.9
105.04565	1.7
105.07043	24.5
106.06763	1.4
107.04963	4.7
107.08604	16.8
109.06533	6.6
109.10154	2.8
111.04421	2.2
115.05468	5.4
117.07047	12.5
118.07825	1.6
119.04924	2.3
119.08591	32.7
121.06528	5.9
121.10121	8.3
123.08087	2.2
128.06212	5.0
129.07018	6.9
131.04913	5.1
131.08582	15.1
133.06514	11.4
133.10170	13.2
135.08069	15.1
137.09653	1.9
141.07021	5.5
142.07773	7.8
143.08571	16.5
144.09314	1.8
145.06491	7.8
145.10149	14.2
146.68770	1.5
147.08035	13.7
147.11760	1.9
149.05994	2.9
149.09621	36.2
151.07578	4.0
153.07014	3.2
154.07777	2.9
155.03888	1.5
155.08582	11.5
156.09386	11.1
157.10139	54.2
158.10913	1.8
159.08080	11.9
159.11685	32.8
161.06012	6.9
161.09628	9.3
163.07581	4.4
163.11296	2.0
165.07028	4.0
165.09082	2.6
167.08615	5.2
168.09337	4.1
169.05017	2.7
169.10132	23.0
170.10954	5.1
171.08078	5.0
171.11702	42.2
173.06024	2.0
173.09633	10.9
173.13257	9.1
175.07582	5.8
175.11232	2.7
177.09059	7.5
178.07675	1.5
179.07144	2.4
179.08571	5.3
180.09364	1.9
181.10089	7.5
183.08064	5.4
183.11716	29.8
184.08966	1.8
185.09647	12.2
185.13255	16.8
187.07561	1.8
187.11232	13.2
189.05466	2.0
189.09119	2.3
191.07025	4.4
191.08580	3.0
191.10733	3.1
192.09402	2.0
193.08554	3.8
193.10164	9.8
194.10948	4.2
195.11732	9.7
196.12389	2.6
197.09624	8.4
197.13300	8.9
199.07719	2.4
199.11143	9.5
199.14975	3.3
201.09085	4.3
201.12764	6.0
203.08672	2.9
203.10732	1.8
205.10175	4.7
206.10944	5.9
207.06511	2.9
207.11688	14.8
208.12483	5.8
209.09677	4.3
209.13275	10.9
210.10506	1.9
211.11209	7.5
211.14806	4.5
213.09111	3.4
213.12753	5.4
215.10689	6.1
216.09352	2.1
217.10149	6.9
217.12289	6.2
218.10944	3.8
219.11755	6.9
220.12404	7.5
221.09708	2.9
221.13303	17.1
222.14053	1.7
223.11214	6.8
223.14859	6.0
225.09189	3.2
225.12825	4.6
227.10699	6.3
229.10130	3.9
229.12265	11.7
230.10857	3.5
231.11734	8.5
231.13834	6.5
232.12480	9.4
233.09676	2.6
233.13290	11.4
233.15414	5.3
234.14014	3.7
235.11203	5.6
235.14696	8.7
236.11986	1.8
237.12759	4.9
237.16394	4.4
239.10678	4.5
239.14368	3.5
241.12251	2.9
243.11639	6.2
243.13907	8.1
244.12550	5.9
245.13651	9.0
245.15550	3.1
246.14014	8.0
247.11179	3.6
247.15016	13.6
248.11928	3.4
248.15553	2.3
249.12791	4.6
249.16522	7.6
251.10785	1.6
251.14268	3.0
251.18123	3.0
253.15836	3.6
256.12509	3.4
257.13336	8.4
258.10492	1.7
258.14020	6.2
259.11008	3.7
259.15155	7.8
260.12036	3.0
260.15640	3.0
261.12686	4.1
261.16745	12.2
262.13428	2.1
263.14291	5.9
263.18054	5.2
265.15955	3.7
267.11575	1.9
268.12347	1.9
269.13165	3.6
270.13962	5.9
271.11102	2.2
271.14920	3.5
272.11963	2.5
272.15521	2.9
273.12946	3.3
273.16382	5.7
274.13470	3.4
275.14255	6.7
275.17938	5.1
277.12405	2.0
277.15921	4.8
279.17581	3.1
283.14844	2.2
285.12878	2.0
285.16379	3.7
286.13477	2.7
287.14499	3.4
287.17990	4.7
288.15210	2.9
289.12170	2.0
289.15854	8.5
289.18872	1.9
291.13824	3.0
291.17514	5.3
293.15469	2.7
293.18893	2.5
299.14267	2.2
299.17828	2.3
300.14990	2.6
301.12726	2.0
301.15897	8.2
303.14221	2.9
303.17438	11.4
304.14499	2.8
305.15536	3.3
305.19037	4.7
307.13602	2.0
307.16934	5.8
309.14957	1.8
309.18527	2.0
310.13400	1.7
313.12347	2.0
313.15717	2.5
314.12750	3.0
315.13678	1.7
315.17334	4.6
317.15378	4.1
317.18976	4.6
319.16898	9.3
321.14996	2.7
321.18484	6.5
323.20032	3.8
327.17380	2.1
329.15289	7.8
331.13498	1.8
331.16956	9.2
333.14981	2.0
333.18536	4.6
335.16330	3.7
335.20108	3.4
337.18069	5.8
339.13559	1.5
339.19449	1.8
343.16882	11.3
345.14609	3.2
345.18472	5.1
347.16479	16.4
349.14163	2.9
349.17975	15.1
351.19495	4.7
359.16568	2.9
361.18021	15.0
363.15851	4.2
363.19629	6.2
365.17459	14.9
367.18930	4.5
371.16360	8.0
373.18137	4.6
375.15714	3.7
375.19876	2.4
377.17148	3.0
377.21213	4.7
379.18839	13.0
381.21039	2.0
385.20172	3.2
389.17474	13.8
391.18927	4.2
393.16864	4.8
393.21048	2.7
395.22256	1.8
403.19070	3.7
405.20676	2.1
407.18481	17.0
409.20096	5.4
411.21790	4.1
417.16705	6.6
421.20203	16.0
423.21625	5.1
425.19727	6.0
431.18396	2.6
435.18091	6.9
437.19885	3.6
439.21091	33.5
449.19434	11.1
453.18918	6.4
457.22351	3.4
467.20615	23.1
471.20029	2.3
485.21680	8.8
585.26892	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	585.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	3.1
53.03944	5.6
55.01867	7.9
55.05263	5.2
55.05511	70.9
56.52129	4.1
63.04669	3.1
67.05492	11.1
69.03416	9.8
69.07060	5.3
79.05498	26.2
81.03440	5.3
81.07046	14.6
83.04984	100.0
88.72585	4.0
91.05480	35.6
93.07050	19.0
95.04952	13.5
95.08617	17.3
97.06562	3.9
98.21539	7.7
103.05475	7.0
103.95540	3.6
105.07030	51.6
107.04942	9.9
107.08624	17.7
109.06543	7.3
109.10135	4.2
115.05473	13.7
117.07030	21.2
119.04979	5.2
119.08585	53.1
121.06548	9.0
121.10169	5.6
128.06192	6.3
129.06970	8.2
131.04918	4.2
131.08556	27.8
133.06496	23.6
133.10132	34.7
135.08054	14.3
137.05980	6.0
141.07022	8.3
142.07793	21.5
143.08557	28.2
144.09354	4.6
145.06445	11.0
145.10110	20.6
147.04378	4.9
147.08055	20.6
149.05962	3.6
149.09619	31.5
153.06985	4.7
155.08548	17.0
156.09346	15.1
157.10129	86.5
157.11316	6.8
158.10854	4.5
159.08064	18.8
159.11694	46.6
161.05974	22.0
161.09599	13.6
163.07625	19.1
165.07045	4.7
165.09195	5.4
167.08556	9.1
168.09302	6.2
169.04910	4.8
169.10124	29.4
170.10915	10.6
171.08035	10.4
171.11702	64.9
173.06017	11.2
173.09631	18.2
173.13274	22.7
175.07501	14.2
177.09103	34.5
179.07100	5.9
179.08548	9.0
180.09427	4.2
181.10161	11.6
183.08105	8.3
183.11681	45.7
184.12572	4.7
185.09685	17.3
185.13239	23.9
187.07494	6.9
187.11176	16.1
189.05447	11.4
189.09082	6.4
191.07040	5.8
191.10596	3.8
193.08595	4.7
193.10139	16.7
194.10901	5.9
195.08095	4.6
195.11688	13.5
196.08771	5.0
197.09625	18.1
197.13263	14.1
199.11240	21.4
201.12755	13.7
204.09315	3.8
205.10278	5.1
206.10886	9.6
207.08192	4.5
207.11758	21.9
209.09645	7.6
209.13260	15.1
211.11156	15.8
211.15094	3.9
213.12743	10.5
215.08543	4.0
215.10608	5.6
217.10168	11.9
217.12202	8.5
218.10883	5.7
219.11717	8.3
220.12434	4.9
221.13257	20.0
223.11101	11.3
223.14818	11.3
224.12038	4.4
225.12662	7.0
227.10619	6.5
229.10239	6.3
229.12128	22.5
230.10873	4.5
231.11694	11.6
231.13812	11.0
232.12425	6.4
233.13272	14.1
233.15263	7.6
234.14012	5.4
235.11154	8.1
235.14720	6.5
237.12703	9.7
239.10698	4.9
239.14262	8.9
241.12286	4.5
242.10812	4.3
243.11742	8.3
243.13853	10.1
244.12457	10.8
245.13240	14.9
246.14052	9.0
247.11174	5.8
247.14772	12.2
249.12775	7.4
249.16470	7.9
257.13174	12.9
258.14041	9.2
259.15039	7.0
260.15875	4.5
261.12637	6.2
261.16635	8.0
263.14261	11.0
265.16083	4.2
270.14032	5.5
271.14648	8.5
272.15604	6.3
273.12646	8.6
273.16385	9.9
275.14285	7.1
275.17795	7.7
277.15842	4.9
279.17459	7.5
283.14899	7.6
285.16547	4.6
286.13635	5.7
287.14392	7.1
287.17877	5.9
288.15091	5.9
289.15631	11.1
291.13889	5.2
291.17303	5.9
297.16269	4.3
299.14258	6.1
301.15662	10.0
303.13861	6.6
303.17319	10.2
305.19077	4.3
307.16928	5.8
313.12360	4.2
313.15714	5.0
315.17511	7.6
317.15237	5.8
319.13654	4.3
319.17004	15.3
321.18463	15.2
329.15237	14.1
331.12869	4.4
331.16867	9.9
333.18420	10.1
335.20197	4.3
343.16901	16.3
345.18536	8.4
347.16422	23.8
347.20132	7.2
349.17975	15.1
357.18393	5.3
359.16492	5.9
361.17975	22.6
363.15799	8.2
363.19672	6.3
365.17358	12.4
367.18921	5.4
371.16367	10.0
373.17786	6.5
375.19543	8.3
377.17361	6.3
379.18958	14.7
385.17892	3.9
389.17654	23.3
391.19205	6.0
393.20819	8.8
403.19202	28.0
405.20804	7.0
406.62885	4.0
407.18546	27.9
409.19830	4.8
411.21802	7.0
417.16721	7.9
421.20093	64.0
423.21887	7.5
431.18408	6.2
435.17966	4.7
437.19440	5.9
439.21179	63.5
449.19440	22.9
457.22256	4.7
467.20709	33.3
481.22110	5.5
485.21597	14.5
567.25641	5.8
585.27191	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	585.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29587	3.3
53.03944	8.9
55.01867	9.7
55.05265	5.0
55.05513	80.8
65.03921	4.8
67.05493	12.7
69.03430	7.4
69.78604	19.0
73.09601	3.6
79.05488	20.2
81.03395	5.1
81.07054	17.3
83.04987	100.0
83.10658	3.8
85.02895	13.3
87.37107	3.4
87.72089	3.9
91.05483	40.9
93.07024	15.3
95.04960	14.1
95.08602	10.4
97.02864	4.6
103.05455	13.1
105.07040	64.7
107.04935	6.0
107.08617	19.7
109.06512	8.9
115.05455	15.4
117.07037	36.3
119.08590	75.4
121.02828	4.0
121.06527	8.1
121.10146	6.4
125.02344	17.7
128.06218	12.7
129.06996	24.3
131.04907	13.1
131.08572	33.3
133.06494	39.0
133.10149	33.4
135.08081	25.6
141.06990	6.1
142.07756	11.6
143.08546	31.6
144.09309	6.7
145.06497	23.3
145.10118	26.2
147.08078	32.1
149.09628	43.6
151.07516	6.4
153.07054	5.0
154.07791	4.8
155.08539	14.0
156.09348	29.9
157.06490	4.5
157.10130	94.5
158.10722	6.8
159.08110	22.9
159.11694	83.6
159.44131	3.8
161.05988	34.5
161.09628	14.7
163.07587	25.3
165.09068	6.7
167.08551	9.0
168.09361	5.8
169.10156	45.8
170.10901	9.0
171.08058	14.7
171.11697	88.7
172.08847	5.8
173.05978	16.7
173.09631	20.0
173.13263	29.5
175.07581	23.4
175.11163	6.5
177.09088	19.7
179.07036	10.9
179.08524	8.6
181.10121	14.6
182.10875	6.0
182.39223	3.9
183.08073	10.5
183.11713	82.4
185.09637	18.8
185.13278	38.5
187.07597	7.5
187.11298	18.7
189.05496	10.4
189.09132	11.2
191.07074	8.2
191.10725	4.3
192.09239	5.2
193.08525	9.5
193.10112	12.9
194.10886	5.3
195.08034	7.0
195.11679	14.4
196.08791	4.0
196.12500	5.1
197.09605	14.1
197.13254	14.8
198.10422	3.8
199.07584	6.3
199.11215	15.8
199.14960	5.2
201.09068	5.3
201.12799	19.1
205.08424	4.7
205.10155	9.5
206.10847	8.0
207.11681	15.9
208.12459	8.0
209.09772	9.3
209.13261	14.7
211.07523	6.8
211.11234	18.5
211.14787	4.3
213.09033	12.3
213.12746	12.2
215.10626	9.9
217.10246	7.4
217.12283	14.9
219.11780	10.8
220.12570	5.3
221.09680	4.9
221.13255	19.2
222.10559	4.3
222.13916	6.2
223.11171	9.2
223.14912	3.9
225.12746	10.5
227.10658	7.2
229.10239	6.8
229.12300	17.6
230.10950	8.2
231.09822	7.0
231.11674	18.8
231.13831	16.8
232.12471	9.1
233.09686	4.7
233.13242	11.1
233.15398	23.2
235.14790	11.4
236.11847	5.7
237.09247	4.7
237.12680	7.8
239.08531	5.2
239.14333	4.6
243.11630	11.2
243.13821	22.7
244.12471	10.6
245.13252	14.1
245.15439	9.1
246.14076	7.6
247.11128	9.0
247.14812	15.4
249.12686	10.0
251.14354	7.6
253.12288	4.2
255.11716	8.3
256.12454	9.4
257.13406	9.7
258.14041	11.6
259.14877	12.2
260.12048	7.4
261.12567	8.8
261.14642	7.7
263.14307	9.1
265.12204	5.8
268.12433	4.5
269.13446	8.0
270.14017	6.6
271.14883	9.1
272.15607	5.0
273.16339	12.7
275.14362	6.4
277.12302	5.1
277.16037	4.1
282.13968	7.3
283.14890	8.1
285.12909	7.9
285.16122	5.4
286.13550	5.5
287.14474	7.6
287.17889	7.6
289.12030	5.5
289.15781	6.2
290.13043	4.5
291.13901	5.4
291.17502	5.8
297.16302	8.5
299.14337	5.7
300.14990	6.4
301.12479	6.6
301.15851	14.1
303.14020	8.7
303.17371	10.2
305.15384	4.8
305.18887	5.8
311.14026	7.6
315.14120	6.6
315.17465	13.1
317.15363	9.4
317.18811	5.5
319.16821	19.0
327.17111	5.2
329.11743	5.6
329.15363	38.6
331.16891	18.8
333.18494	14.9
335.16278	7.1
337.17944	7.2
343.16891	30.5
345.18402	12.5
347.16412	50.5
349.17892	17.2
351.19525	5.5
357.14618	8.2
357.18506	5.5
361.17990	48.6
363.15701	6.0
363.19568	6.1
365.17444	15.9
371.16412	23.8
373.17978	9.9
375.15701	7.9
375.19885	8.3
377.17236	6.1
379.18976	15.8
385.18045	4.4
389.17435	44.6
391.19095	7.5
393.20874	7.6
399.15833	6.4
403.19028	28.3
405.20667	14.8
407.18317	27.8
411.21606	9.4
417.16953	17.9
421.20087	69.0
423.21384	11.7
431.18463	10.6
435.17960	10.8
439.21173	43.2
449.19635	38.6
453.18579	6.4
467.20663	49.3
485.21579	19.2
511.10260	4.4
538.60504	4.4
567.26208	6.0
585.28046	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	585.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	15.8
55.01867	26.1
55.05512	43.8
58.06586	6.4
65.03947	12.0
67.05518	41.5
69.03436	23.9
69.07058	7.4
70.59789	19.2
71.04980	16.5
79.05492	43.5
79.29686	7.9
81.03426	57.0
81.07049	30.5
83.04987	64.2
91.05489	68.1
93.03410	6.9
93.07044	39.1
95.01330	7.4
95.04979	80.4
95.08614	18.9
97.06525	7.0
103.05450	12.1
105.03387	7.5
105.07043	88.8
107.04961	28.1
107.08588	22.6
108.08137	7.9
109.06505	28.6
115.05452	21.3
117.07046	38.0
119.04979	11.2
119.08593	74.2
121.02879	50.2
121.06496	33.6
121.10166	8.7
123.08073	16.4
128.06216	30.6
129.07010	57.7
130.07780	9.2
131.04984	11.3
131.08565	46.1
133.06522	46.9
133.10120	31.8
135.04445	8.9
135.08061	31.3
137.05933	8.6
137.09534	8.6
141.07031	22.8
142.07823	34.3
143.08556	66.5
145.06479	29.3
145.10146	45.7
147.08041	100.0
147.11624	8.5
149.09590	14.1
153.07028	13.1
154.07791	13.3
155.08536	34.6
156.09364	30.6
157.06508	21.1
157.10153	44.5
158.07289	15.4
159.08084	59.9
159.11708	36.1
161.06017	41.7
161.09618	37.4
163.07552	64.9
165.07025	15.3
166.07739	10.7
167.08543	19.2
168.09357	15.2
169.06396	11.3
169.10118	47.0
170.10945	8.4
171.08047	20.8
171.11679	69.0
173.06004	17.7
173.09673	43.6
173.13255	16.2
175.07468	36.0
175.11166	11.3
177.09193	12.2
179.06905	8.2
179.08524	16.1
181.10103	18.5
183.08055	23.2
183.11678	28.5
185.05934	10.4
185.09619	45.2
185.13205	9.7
187.07562	23.7
187.11215	26.3
189.09143	16.4
189.12839	10.3
192.09335	10.0
193.10150	15.8
195.11676	22.6
196.08751	8.8
197.09668	43.9
197.13365	14.0
199.07579	16.8
199.11180	42.1
199.15005	6.9
201.09067	16.7
201.12682	11.2
203.06938	10.0
203.08640	10.8
203.10692	10.4
206.10855	9.5
207.11700	19.1
208.08818	8.1
209.09589	22.1
209.13269	13.4
211.07556	10.9
211.11166	19.0
213.09171	16.6
213.12764	23.4
215.10672	31.4
215.14311	15.0
216.09349	9.2
217.08656	13.5
217.12271	9.7
221.09669	14.0
221.13266	14.0
223.11244	26.1
223.14703	13.4
225.09111	24.1
225.12782	23.4
227.10649	43.3
229.10191	9.0
229.12280	16.3
231.11861	8.9
231.13869	10.2
232.12573	7.2
233.09668	10.7
233.11548	9.8
233.13519	10.1
235.11165	14.7
237.09073	12.4
237.12735	12.6
239.10661	17.2
241.12320	16.2
244.12418	8.1
245.08043	25.6
246.10262	12.1
247.11230	16.0
249.12651	8.5
251.10732	12.1
251.14372	18.8
253.12117	11.8
253.16150	8.1
255.09993	9.1
257.13254	9.2
259.11121	10.3
261.12939	10.0
263.10532	8.8
263.14288	13.0
264.11566	8.6
265.12222	12.2
265.16626	8.0
271.11172	7.9
273.12509	10.3
274.13443	9.8
275.10437	10.0
275.14352	9.6
277.12347	13.3
279.13754	25.1
281.11694	9.0
285.12714	7.5
287.13943	11.2
289.12241	8.4
289.15915	9.2
291.13925	8.7
297.12387	12.9
307.13382	9.1
312.15088	11.8
313.15799	9.1
315.13727	8.3
327.17429	16.2
329.15317	21.0
330.16348	9.1
331.17053	13.2
333.14804	10.3
345.14825	9.1
345.18561	29.5
347.16458	9.8
348.08841	9.5
351.15781	10.0
355.16757	24.4
359.16122	11.8
363.19727	14.9
371.20172	15.3
373.18027	78.6
383.16769	10.2
389.16174	21.4
389.21103	38.1
391.18985	49.1
401.17480	29.1
407.22092	31.4
409.20181	18.6
419.18436	62.1
425.23215	8.8
437.19580	55.6
449.23349	9.9
465.19379	10.3
479.20520	9.3
483.19977	16.9
497.21625	14.0
525.24658	25.3
549.28198	26.9
585.26904	49.3
585.34576	7.4
586.37122	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	585.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.4
55.01867	22.9
55.05510	52.3
56.56006	6.9
57.03416	7.5
67.05495	27.6
69.03432	47.7
69.07090	7.0
69.80813	18.7
69.81212	24.0
75.26900	6.4
79.05500	47.8
81.03413	27.2
81.07043	25.7
83.01339	11.0
83.04640	6.7
83.04990	74.1
85.02889	19.3
91.05493	65.8
93.07054	51.9
95.04958	43.3
95.08611	34.2
97.02892	6.7
97.06496	9.8
98.20798	7.4
99.45715	6.9
103.05476	32.1
105.03377	25.4
105.07034	100.0
107.04948	24.1
107.08598	29.5
109.02853	8.9
109.06551	33.7
109.10168	13.1
111.17918	7.6
112.99843	6.9
115.05473	28.9
116.06174	10.6
117.07030	53.0
119.04945	25.8
119.08598	92.1
121.06525	23.8
121.10185	9.4
123.04408	9.2
123.08051	13.5
128.06212	24.0
129.07007	52.7
131.04948	80.5
131.08572	52.9
131.43790	6.7
133.06511	62.9
133.10139	20.5
135.04457	9.4
135.08057	27.1
137.05991	14.6
137.09543	7.3
141.07027	35.4
142.07785	31.8
143.08588	73.5
145.06482	40.3
145.10139	39.3
147.04417	15.9
147.08055	47.9
149.06009	16.3
149.09625	11.1
151.07549	8.6
153.05473	12.2
153.06958	16.4
154.07779	21.1
155.08559	47.3
156.09303	22.1
157.06615	14.0
157.10159	67.4
158.07265	16.1
159.04485	7.8
159.08115	37.5
159.11684	17.4
161.06010	84.7
161.09621	26.3
163.07524	33.3
165.07010	25.3
165.09151	11.7
166.07756	15.7
167.08598	21.9
168.09364	14.8
169.06453	9.0
169.10161	58.3
171.08083	39.1
171.11710	67.8
173.05992	13.8
173.09592	22.8
173.13332	11.1
175.07555	19.4
175.11243	10.3
177.09146	15.6
178.07716	7.8
179.07095	11.0
179.08562	23.4
181.06534	7.1
181.10129	30.9
182.07242	9.0
182.10860	8.9
183.08051	38.7
183.11690	57.8
184.08737	10.1
185.06068	11.4
185.09634	55.6
185.13249	34.1
187.07547	11.9
187.11189	13.8
189.09163	9.6
192.09370	9.7
193.08543	8.4
193.10139	19.8
194.10933	12.1
195.08118	15.3
195.11737	26.2
197.09660	72.3
197.13217	16.9
197.41389	7.3
199.07596	17.2
199.11198	75.5
201.09122	22.2
201.12732	10.5
203.07040	19.9
205.08525	12.0
205.10263	10.5
207.08083	12.5
207.11790	15.7
208.12521	8.7
209.09639	28.8
209.13286	11.6
211.07527	21.8
211.11214	21.2
213.09091	31.6
213.12753	21.0
215.10701	23.9
217.08479	18.0
217.10222	19.5
218.10861	12.5
219.08061	10.8
219.11691	23.0
221.09662	25.6
221.13177	17.1
223.07591	15.5
223.11163	19.4
225.09106	40.4
225.12762	12.7
227.06963	12.6
227.10698	19.0
229.10263	12.2
229.12225	9.5
230.10843	13.7
231.11819	14.8
232.12460	14.2
233.13309	16.8
234.10341	9.2
235.11247	23.6
235.14738	14.3
237.09094	17.1
237.12747	17.3
239.10719	14.7
241.08441	12.8
241.12270	16.4
242.10884	9.7
243.10078	13.8
244.12445	12.6
245.13353	16.2
246.14021	10.2
247.11264	13.2
248.12082	9.3
249.12802	12.0
251.10658	20.0
251.14372	8.7
253.12296	20.4
255.10088	18.2
258.14038	10.1
259.11243	11.0
261.12775	14.8
261.16449	11.7
262.13663	7.5
263.10580	12.6
263.14243	14.4
265.12311	17.0
267.10083	12.1
269.13382	16.1
270.13986	9.6
271.09164	9.2
272.11972	9.2
273.16394	8.5
274.13330	9.5
275.10614	9.1
275.14249	18.2
277.15936	12.1
281.11624	13.5
285.11783	10.5
287.09067	9.9
287.14188	15.6
289.12274	9.4
291.13715	9.0
298.13544	13.6
299.14087	11.3
301.15579	11.4
303.13718	14.7
303.17188	11.5
313.12164	11.4
313.15549	9.7
315.13782	16.9
315.17352	16.4
317.15283	16.6
321.18472	12.4
329.15347	19.2
331.16632	14.6
333.14816	10.7
341.14331	17.1
343.16898	10.8
345.14798	10.9
347.16248	11.3
349.17767	8.6
357.14633	14.5
357.18491	20.0
359.16080	14.2
361.17831	7.9
369.18497	9.5
373.18256	13.5
375.18832	14.8
377.17401	17.3
385.14304	23.6
387.19580	19.7
395.18460	8.1
403.14740	15.3
405.20538	15.7
407.22049	8.9
421.15994	16.9
431.14645	10.1
433.20410	8.6
447.21548	11.8
451.17300	7.9
453.18930	18.8
463.17410	26.4
465.23169	13.1
481.18356	47.9
525.25195	8.4
567.22113	55.5
585.27838	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64642	0.3
66.69282	0.3
71.54900	0.4
74.02437	0.7
85.02899	0.7
85.57483	0.3
87.53147	0.3
91.05478	0.8
97.02888	0.4
98.21025	0.4
109.34975	0.4
110.07198	0.3
115.05447	1.1
117.05785	0.5
117.07027	0.9
118.06542	14.9
127.03954	0.4
130.06538	0.9
132.08095	5.1
137.06030	0.4
142.06537	1.4
143.07272	1.8
144.04414	0.6
144.08092	11.2
146.06013	55.9
159.09174	5.3
160.07565	0.7
163.03981	0.4
170.06009	3.6
188.07071	100.0
189.07387	0.6
205.09731	52.1
248.04471	0.3
329.87769	0.3
366.31229	0.3
398.13574	0.3
505.66107	0.4
590.49023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
55.05511	9.0
57.07081	7.7
65.03951	1.4
66.80813	1.3
67.05228	1.4
67.05509	15.1
69.03416	3.9
69.07078	10.5
78.04719	1.5
79.05130	1.5
79.05504	18.1
81.07061	19.6
83.04955	4.4
83.08611	6.2
85.06538	5.0
89.06036	8.0
90.52640	1.4
91.05486	27.8
93.07049	30.2
93.07625	2.2
95.04959	6.2
95.08617	24.1
96.08912	1.5
97.06546	2.5
103.05460	2.2
105.04520	1.3
105.07039	45.8
107.04991	1.6
107.08604	28.5
108.09344	1.5
109.06520	7.9
109.10154	13.2
111.04463	1.5
111.08091	2.6
115.05453	2.1
117.07018	14.0
118.07880	1.5
119.08588	60.1
120.09332	4.7
121.06539	3.1
121.10151	21.1
122.07227	2.1
123.08080	9.1
123.11707	3.7
125.06002	2.6
125.09612	3.0
128.06230	6.9
129.07021	14.0
130.07762	4.5
131.08582	30.4
132.09415	1.5
133.06448	2.7
133.08597	4.9
133.10124	28.1
135.08057	10.3
135.11694	10.8
137.09645	7.7
139.07501	3.0
139.11130	1.5
141.06989	5.1
142.07785	14.2
143.08575	26.4
144.09367	9.8
145.10135	41.9
147.08073	10.2
147.11707	11.9
149.09613	5.6
149.13304	1.7
151.07544	4.4
151.11218	2.1
153.06975	1.7
155.08580	9.8
156.09386	14.4
157.10146	37.9
158.10922	8.2
159.08063	3.2
159.11700	26.0
160.08922	1.4
160.12466	1.6
161.09627	7.2
161.13235	5.7
163.11174	7.0
165.07025	3.0
165.09120	21.4
167.08530	5.3
168.09344	4.2
169.10115	16.3
170.10883	5.0
171.08253	1.8
171.11710	21.9
172.12418	6.0
173.09663	2.8
173.13281	16.9
175.11189	8.6
175.14836	7.6
176.11990	2.1
177.11267	1.7
177.12759	2.7
178.09966	1.4
179.08560	4.3
180.09328	3.1
181.10129	10.3
181.12126	7.6
182.10855	3.2
183.11708	17.4
184.12390	3.8
185.09686	2.4
185.13272	15.2
186.14058	2.1
187.11191	4.3
187.14821	6.4
189.12685	3.8
190.13536	5.4
191.10640	2.8
191.14296	2.8
193.10149	5.1
193.12199	5.5
194.10931	4.9
195.11755	15.3
195.13506	2.5
196.12440	4.2
197.09526	1.4
197.13281	13.6
198.10307	1.8
198.14014	3.6
199.11160	5.2
199.14813	5.0
201.12712	4.9
201.16452	2.5
203.14349	12.5
206.10928	1.9
207.11687	8.4
207.13803	6.3
208.12439	3.8
208.14513	3.1
209.13298	13.1
209.15237	2.7
210.14067	2.3
211.11172	3.4
211.14795	8.9
213.12747	4.2
213.16316	3.9
217.15823	1.8
219.11745	2.7
219.13640	2.5
221.13278	5.4
221.15363	41.9
222.13956	2.4
223.14824	9.7
225.12827	3.3
225.16353	3.6
227.14244	2.0
231.14017	1.4
233.13210	3.0
234.14120	1.4
234.16254	7.3
235.14735	3.4
235.16962	2.5
237.12679	2.9
237.16394	3.9
239.14246	3.1
239.17966	3.0
241.15773	1.8
241.19620	1.8
247.14696	2.4
247.16940	6.0
249.16487	2.7
251.17892	1.5
253.19557	2.1
259.17047	2.3
261.16229	1.6
263.17917	3.8
267.17499	1.8
271.16998	3.2
271.20483	2.2
274.19293	1.8
277.15671	1.3
279.17465	2.2
281.19037	3.3
283.20615	2.7
285.18527	1.6
286.19183	2.2
287.19986	2.1
296.21503	1.8
297.18576	1.9
299.20026	8.9
309.22141	1.6
311.20078	2.2
311.29437	2.6
312.20551	2.1
312.24429	1.5
313.21786	1.7
319.20590	1.9
325.21658	8.0
337.21713	6.1
352.23984	61.2
365.24719	8.9
371.22638	6.6
376.27597	2.5
378.25287	2.1
391.26288	2.8
397.27200	1.9
398.28061	5.4
404.30603	4.4
412.29758	12.6
425.30664	2.2
431.28995	2.2
438.31424	14.2
489.33359	3.7
490.34314	1.8
491.35208	9.9
492.35501	3.0
492.77576	1.5
504.36023	100.0
505.36945	2.2
550.69366	1.5
566.41077	3.1
569.39459	2.3
584.42334	24.0
584.55890	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	584.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.6
55.05502	15.9
56.38462	3.5
57.07089	18.8
59.05009	3.8
67.05508	30.4
69.03423	5.8
69.07063	13.7
69.19708	39.1
70.06587	6.1
71.08637	4.7
79.05505	32.1
81.03403	6.1
81.07061	41.9
83.04996	8.9
83.08622	8.8
85.06546	5.9
88.07612	4.5
89.06030	25.8
91.05483	39.2
93.07051	53.6
94.07352	5.2
95.04936	9.8
95.08600	36.9
97.06535	5.4
105.07035	55.9
107.08602	36.7
109.06494	7.2
109.09296	3.5
109.10153	18.4
111.08085	8.3
115.05434	4.6
117.07011	18.5
119.08588	71.5
121.06439	6.5
121.10177	30.1
123.08060	14.6
123.11662	5.4
125.06020	5.1
128.06218	8.6
129.07036	19.4
131.08578	33.8
132.09276	5.7
132.10217	5.1
133.08626	18.1
133.10132	30.1
134.10611	4.1
134.42886	4.3
135.08032	14.9
135.11708	26.6
136.12010	3.7
137.09639	11.2
142.07758	13.5
143.08618	23.2
144.09311	11.1
145.06514	3.8
145.10139	58.6
146.10521	5.4
147.08035	17.7
147.11679	10.0
151.07521	8.8
155.08521	11.0
156.09319	8.3
157.10126	40.1
158.10742	5.1
159.08052	7.6
159.11719	27.4
161.09656	4.3
161.13242	6.9
163.11186	14.6
165.09116	23.3
169.10127	17.7
170.10696	4.2
171.11697	25.0
172.12386	5.1
173.09636	6.6
173.13298	18.8
175.11203	11.1
175.14822	11.9
177.11269	7.7
177.12712	4.3
180.09291	3.9
181.10130	7.5
181.12227	9.4
182.10823	5.4
183.11696	19.2
185.13249	14.6
186.10301	4.3
187.14865	8.8
189.12744	6.0
192.57249	3.4
193.10146	11.3
193.12140	8.9
194.10905	5.1
195.11650	12.6
196.12236	6.3
197.13220	17.2
198.13635	4.6
201.16370	6.7
203.14288	13.9
207.11754	9.0
207.13783	8.9
209.13206	16.5
209.15065	4.4
211.14761	10.6
213.12740	5.3
219.13837	5.2
221.13289	8.8
221.15363	57.5
222.15791	10.4
223.14792	11.0
225.16342	7.0
227.12764	13.5
234.16148	8.3
235.14735	6.0
247.16907	9.9
255.17273	4.9
256.26413	4.3
263.17975	5.5
299.20172	8.3
300.28967	6.2
308.81201	3.9
311.14850	14.5
311.29517	7.3
325.21573	8.1
337.27335	7.7
341.26837	9.5
352.23947	61.5
365.24564	5.9
371.22684	15.0
398.27957	5.1
412.29596	14.6
438.31390	11.9
459.94897	4.7
474.55084	4.4
491.35144	15.8
492.35178	11.9
504.29196	6.0
504.36023	100.0
531.40369	11.3
549.40747	7.8
566.40997	5.7
584.42114	43.7
584.56152	29.7
585.44757	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	584.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01855	1.8
55.05516	13.2
57.07072	1.6
59.05006	1.2
65.03957	1.1
67.05508	9.0
69.03432	1.4
69.07072	4.7
69.62469	1.9
69.62879	2.9
71.04979	2.5
72.08165	1.3
79.05502	15.0
81.03397	1.2
81.07063	37.6
81.34530	0.8
83.04990	20.5
83.08614	2.7
85.06558	3.9
88.85284	0.9
91.05488	11.7
93.07050	15.0
95.04978	3.7
95.08614	11.7
97.06512	2.9
97.10177	0.9
99.05016	0.8
99.08079	1.9
103.05501	1.2
105.07035	18.4
107.07874	0.9
107.08604	17.0
107.79951	0.7
109.06527	20.8
109.10172	11.2
111.08074	3.1
115.05469	1.2
115.15193	0.8
117.07025	6.1
119.08596	24.7
121.06488	2.9
121.10147	9.3
123.08094	7.7
123.11720	5.8
125.09637	1.5
128.06236	2.0
129.06993	5.5
130.07753	1.2
131.08586	12.7
133.06529	1.3
133.10156	11.6
134.10506	1.1
135.08078	7.7
135.11687	4.5
137.09616	6.7
137.96718	0.9
139.07596	0.8
139.11171	0.9
141.07008	2.8
142.07788	4.8
143.08580	10.2
144.09294	1.5
145.10139	16.1
147.08046	3.2
147.11696	9.3
149.09633	12.8
149.13272	1.1
151.07532	1.1
151.11195	3.6
155.08575	7.3
156.09352	2.8
157.10143	25.3
158.10774	1.6
159.08049	2.9
159.11716	18.1
161.09607	4.4
161.13231	6.6
163.11180	4.7
165.09128	1.3
165.12755	1.6
166.07697	1.0
167.08588	2.3
168.09290	1.3
169.10153	9.6
170.10854	3.1
171.08171	0.9
171.11708	11.6
173.09665	5.1
173.13277	5.7
175.11223	5.6
175.14839	2.2
177.09082	1.0
177.12759	3.3
179.08540	1.1
179.10617	1.7
179.14374	1.5
181.10124	4.1
182.10899	2.3
183.11691	11.1
184.12537	1.2
185.09662	2.1
185.13264	12.5
187.11243	3.8
187.14865	5.4
189.12711	5.3
191.10677	1.4
191.14276	2.5
193.10115	3.1
193.12245	4.9
194.10805	1.4
195.11751	4.2
196.12419	1.4
197.09615	1.8
197.13324	8.8
199.11163	3.4
199.14803	4.2
201.12788	8.2
201.16284	1.6
203.14314	6.4
205.10046	0.8
207.11656	2.8
207.13794	1.0
208.12259	1.6
209.13310	5.4
210.10397	0.9
211.11209	1.7
211.14841	7.1
212.15573	1.2
213.12766	3.3
213.16388	2.2
214.13239	0.8
215.14331	6.0
217.15918	1.2
219.11754	0.9
219.13809	1.1
220.12292	1.0
221.13242	2.8
221.15202	1.0
222.13773	1.1
223.14793	4.0
225.12788	6.1
225.16423	5.2
226.17087	2.7
227.14305	2.4
227.17957	31.7
229.15868	2.8
231.13834	1.1
233.13248	1.0
235.14836	3.8
236.15407	1.1
237.12758	1.2
237.16374	2.3
239.14262	2.3
239.18066	0.9
241.15887	2.8
243.13771	2.0
243.17451	4.5
244.18224	1.8
245.19025	9.0
247.14809	1.4
248.10237	0.9
248.15599	0.9
249.16351	2.8
250.17183	1.0
251.14307	1.3
251.17932	3.8
253.15858	1.7
257.15353	1.3
259.17175	1.1
261.16342	1.3
263.18011	1.4
265.15891	1.3
265.19479	1.2
267.17477	2.6
269.18973	8.9
271.16885	0.8
271.20566	1.7
281.19193	1.3
283.20331	0.9
285.18542	1.3
287.20087	27.2
291.20779	1.7
293.18973	1.9
297.18344	1.9
307.17307	0.8
307.20590	4.2
309.18848	1.2
309.22147	7.0
311.20023	0.9
319.20825	1.0
325.21600	4.9
327.23227	4.6
333.22174	2.1
335.23755	7.9
349.25290	5.1
351.23187	7.4
353.24634	3.3
359.23550	2.9
367.26306	3.4
377.24780	17.8
388.39456	0.8
395.25842	43.5
397.26999	1.3
412.28384	3.2
421.31128	1.6
431.29297	2.0
440.28638	1.1
449.30490	6.5
467.31647	6.2
477.29935	3.2
484.33902	0.9
491.34332	0.9
492.35361	4.1
495.31094	100.0
524.71344	0.8
567.37134	0.9
584.42102	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	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.8
53.03942	1.9
55.05519	7.5
57.07072	4.6
59.04995	2.0
65.03957	1.5
67.05509	12.6
69.03427	4.0
69.04565	1.4
69.07077	5.8
71.08627	1.1
77.03902	1.0
79.05499	10.9
79.11249	0.8
79.70844	0.8
81.03452	0.8
81.07056	15.4
83.04972	3.7
83.08614	4.7
85.06557	2.3
88.73332	0.8
89.41193	0.9
91.05486	15.6
92.81841	1.0
93.07042	24.5
93.07630	1.2
95.04967	4.1
95.08609	18.2
97.06547	2.6
98.21537	1.6
103.05502	1.1
105.04527	1.0
105.07041	27.7
107.04974	3.1
107.08604	13.4
109.06533	3.3
109.10155	9.5
111.08086	1.3
115.05449	1.2
115.33035	0.8
117.07037	5.5
119.08588	23.3
121.06526	3.2
121.10159	17.7
123.08074	12.4
123.11718	3.1
128.06244	3.2
129.07016	5.4
130.07811	1.8
131.08565	12.9
133.06526	1.7
133.10126	13.1
133.43825	0.8
135.08076	4.9
135.11720	5.1
137.09613	8.0
139.11224	1.3
141.06978	2.1
142.07782	7.1
143.08556	11.1
144.09338	2.2
145.10130	19.1
147.08055	13.6
147.11726	4.6
149.09612	3.2
151.07545	14.4
151.99292	0.9
153.07019	1.5
155.08542	4.5
156.09372	5.7
157.10139	20.8
158.10951	2.7
159.08188	1.3
159.11694	9.6
161.09647	4.5
161.13220	4.6
163.11211	3.3
165.07002	2.1
165.09123	24.5
167.08612	3.9
168.09346	2.1
169.10158	8.6
170.10959	2.8
171.08098	1.1
171.11713	13.4
173.09552	2.1
173.13249	6.3
175.11157	1.9
175.14879	3.0
179.08612	4.4
180.09413	2.0
181.10181	4.8
181.12239	1.7
182.10924	4.1
183.11681	8.4
184.12511	1.2
185.13242	9.1
187.14835	3.4
189.12755	3.6
191.14343	1.0
192.09311	2.1
193.10182	5.4
193.11836	1.0
194.10973	2.8
195.11688	7.7
196.12451	2.9
197.13251	9.2
199.11212	1.5
199.14880	3.2
201.16261	1.0
203.14365	12.6
205.10263	1.2
206.10944	2.6
207.11736	7.5
207.13861	5.0
208.12469	2.0
209.13297	9.8
210.14027	1.4
211.14822	5.9
213.12865	2.4
213.16467	2.3
215.14314	1.1
219.11784	2.3
220.12483	1.2
221.13297	5.2
221.15355	40.8
222.13995	1.6
223.14799	4.8
225.16440	2.1
229.15929	1.1
231.11748	2.1
231.17525	1.8
232.12511	1.6
233.13336	3.0
235.14795	4.9
236.15590	1.1
237.16440	1.9
239.17912	1.7
245.13298	1.1
246.14273	1.6
247.14824	2.5
247.17055	1.8
249.16418	3.0
250.31715	0.9
251.18214	1.8
253.19540	1.7
257.19052	2.1
258.13882	1.2
259.14816	1.7
261.16391	2.4
262.17209	1.2
263.18033	1.4
265.19647	2.5
269.19077	1.7
271.20789	0.9
273.16461	1.2
275.18030	2.8
277.19473	2.1
279.21078	1.5
283.20560	3.2
286.19434	1.3
287.20270	1.7
289.19406	1.1
291.20963	1.2
295.20642	3.6
297.22226	3.1
299.17731	1.3
309.22125	1.1
317.22742	1.0
319.38931	0.9
349.25278	2.0
352.24182	1.5
357.25830	2.7
365.24701	1.9
375.26859	4.4
403.30103	7.3
491.35175	1.5
503.35318	3.7
509.34229	1.2
547.39368	2.2
565.40460	25.4
583.41553	100.0
584.41467	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.6
55.05518	15.3
57.03421	2.2
57.07076	5.7
59.05001	2.9
65.03936	2.3
66.22187	2.4
67.05507	20.3
69.03430	6.3
69.07071	14.7
71.04988	2.3
71.55630	2.4
79.05499	23.8
81.03426	2.5
81.07066	29.0
83.04992	8.1
83.08625	8.3
85.06540	5.8
86.70523	2.2
91.05483	37.5
91.06013	3.1
93.07050	49.6
95.04997	7.8
95.08623	31.4
97.06549	8.4
101.07020	2.2
101.98977	2.2
103.05480	4.0
105.07040	52.9
107.08602	40.0
109.06532	7.8
109.10177	20.3
111.08070	2.5
113.49999	2.3
115.05483	3.2
117.07035	13.1
119.08593	66.3
121.06509	4.0
121.10154	58.9
123.08080	10.1
123.11704	4.9
125.09589	3.3
128.06226	7.5
129.07056	14.6
130.07787	4.7
131.08566	29.6
133.10147	29.2
135.08078	7.3
135.11708	14.3
136.19576	2.0
137.09641	7.6
139.11249	3.8
141.07010	4.6
142.07802	15.7
143.08578	28.3
144.09337	8.6
145.10147	42.2
147.08070	9.7
147.11713	16.7
149.09604	12.9
151.07579	6.5
153.06995	4.5
154.07750	3.1
155.08565	14.1
155.10602	2.4
156.09413	12.9
157.10133	43.1
158.10901	7.4
159.08107	5.9
159.11702	25.4
161.09641	6.5
161.13271	6.1
163.11200	4.9
165.07010	5.5
165.09151	8.3
167.08543	7.3
167.10683	40.9
168.09338	4.5
169.10161	22.1
170.10930	9.7
171.11719	25.7
173.09676	5.3
173.13298	22.8
175.11128	5.3
175.14828	13.5
178.07718	2.4
179.08604	9.9
180.09323	4.9
181.10094	13.8
181.12177	4.6
182.10966	8.8
183.11697	19.2
184.12480	5.7
185.13289	13.4
187.14828	7.8
189.12782	6.2
191.14388	6.2
192.09280	2.8
193.10156	9.0
194.10950	10.9
195.11725	15.0
196.12625	2.9
197.13232	18.7
199.11163	3.3
199.14958	10.7
201.16417	5.2
203.14362	8.0
205.10190	2.5
206.10983	4.6
207.11734	15.6
207.13795	6.5
208.12547	5.3
209.13277	25.4
210.14130	2.6
211.14880	8.5
213.12816	3.2
215.14323	3.3
217.10008	2.9
217.15916	7.3
218.10989	3.1
219.11745	3.9
219.17430	2.7
220.12527	3.4
221.13278	11.2
221.15434	22.2
222.14108	2.5
223.14905	10.2
224.15605	5.1
225.16484	6.5
227.17953	2.9
230.10811	2.6
231.11739	4.4
232.12512	3.2
233.13293	8.6
233.15436	11.7
234.14059	5.6
235.14882	8.3
236.15756	2.9
237.16422	6.3
245.13303	5.8
246.14018	3.8
247.14795	3.5
249.16458	9.3
250.17159	3.1
251.17996	7.3
253.19568	2.2
255.17567	2.7
257.19080	3.6
258.13934	2.4
259.14969	4.6
260.15640	3.4
261.16418	4.3
263.17923	6.3
265.19446	5.5
269.19083	2.4
274.17130	2.6
275.17975	6.8
281.18997	2.7
283.20609	9.5
287.17715	2.8
289.19659	3.7
291.21164	2.6
293.19000	3.3
295.14914	2.5
295.20685	4.5
303.20975	3.6
307.20786	2.8
311.20102	2.6
315.20810	4.0
331.24237	5.4
335.23721	3.2
349.25363	5.4
361.25211	3.3
375.26770	2.7
387.19547	2.8
403.30133	4.4
490.71429	2.5
491.34903	3.2
547.39264	3.3
565.40424	21.5
583.41425	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.2
55.05515	15.0
57.07077	7.2
59.05008	2.6
61.31908	1.1
65.03954	3.5
67.05506	19.4
69.03432	6.5
69.07072	18.2
71.08665	1.1
77.03931	1.9
79.05498	19.5
81.03432	1.6
81.07063	27.4
83.04979	6.5
83.08617	7.6
85.06548	5.1
87.04449	1.3
90.28716	1.3
91.05487	36.8
93.07052	46.6
95.04965	7.3
95.08611	31.8
97.06550	7.2
103.05474	3.8
105.07036	59.2
107.04922	1.5
107.08601	41.3
109.06503	6.0
109.10165	20.5
111.08092	3.2
111.11706	2.1
113.09651	1.7
115.05470	4.4
116.06251	1.6
117.07021	14.8
119.08588	67.1
121.06522	5.8
121.10153	49.2
122.07323	1.5
123.08057	13.9
123.11694	6.4
125.06023	2.3
125.09639	3.1
128.06247	9.2
129.07007	12.9
130.07808	5.1
131.08575	28.4
132.09439	1.5
133.06517	4.3
133.10139	33.4
133.11095	2.6
135.08061	6.9
135.11703	14.8
137.09645	8.7
139.11194	2.0
141.06984	6.2
142.07779	16.2
143.08563	36.5
144.09378	7.7
144.10622	1.1
145.10130	47.0
147.08054	9.4
147.11697	13.1
149.09624	9.2
149.13289	3.3
151.07559	11.3
151.11227	1.6
153.07011	4.3
154.07779	2.3
155.08566	15.6
155.10660	1.6
156.09326	13.8
157.10136	39.0
158.10883	6.3
159.08060	5.1
159.11690	24.6
161.09657	4.7
161.13309	4.4
163.11220	5.1
165.07027	4.4
165.09117	13.8
166.07780	1.8
167.08597	9.1
167.10678	25.7
168.09322	6.3
169.10146	23.6
170.10904	6.9
171.08133	1.4
171.11681	24.8
172.12520	1.6
173.09673	3.1
173.13283	24.0
175.11224	2.9
175.14799	8.1
179.08560	11.6
179.10712	2.1
180.09383	5.1
181.10126	11.9
181.12233	4.7
182.10931	8.3
183.11678	25.4
184.12529	3.8
185.09627	1.7
185.13266	14.7
187.11205	3.5
187.14781	6.9
189.12764	4.5
191.14381	4.4
192.09419	3.8
193.10141	14.1
194.10925	9.2
195.11717	18.5
196.12538	4.9
197.09695	1.5
197.13260	18.9
198.14087	1.4
199.11223	2.2
199.14838	14.6
201.16473	3.7
203.08557	2.6
203.14250	6.3
204.09319	1.7
205.10210	4.6
206.10860	6.0
207.11752	16.2
207.13841	4.8
208.12474	7.4
209.13293	20.3
209.15118	2.7
210.14050	1.7
211.14861	10.7
213.12773	1.9
213.16440	4.5
215.14352	3.7
216.09381	1.7
217.10156	3.6
217.12454	1.4
217.15894	6.0
218.10930	3.5
219.11700	6.5
220.12497	4.4
221.13286	14.3
221.15431	23.2
222.14084	3.8
223.11232	1.6
223.14819	11.4
224.15616	1.7
225.12886	1.9
225.16412	6.3
227.14398	2.8
229.10051	2.6
229.15987	1.9
230.10960	1.9
231.11745	5.7
231.17438	1.8
232.12503	3.3
233.13591	7.7
233.15216	9.2
234.13965	3.6
235.14867	11.5
236.15704	2.5
237.16486	7.2
239.17969	4.9
243.11761	1.9
244.12534	2.0
245.13342	4.7
246.14047	4.2
247.14894	5.4
247.17079	1.7
248.15581	3.5
249.16292	7.5
251.18033	5.7
253.19426	2.5
255.17374	3.8
257.13339	2.5
257.19000	6.1
258.13968	2.0
259.14865	3.8
260.15735	4.0
261.16455	5.8
263.17996	5.0
265.16727	1.2
265.19452	7.7
269.19083	3.3
270.13895	1.5
271.14923	2.2
273.16245	3.4
274.17178	1.6
275.17834	7.8
276.18805	1.7
277.19574	3.9
283.14825	1.6
283.20590	11.3
287.17636	2.0
287.20306	2.1
289.19553	3.5
293.18988	2.2
295.20676	3.2
297.22177	1.9
298.16760	1.6
299.20255	1.9
301.19421	2.9
303.21204	2.0
305.19159	1.3
307.20770	1.6
315.21188	1.8
327.20944	1.7
331.24326	3.8
333.22205	2.5
335.23846	2.4
343.24368	1.9
345.22314	2.0
345.26312	1.6
347.23801	2.5
348.25076	1.4
349.25351	5.5
357.25839	2.3
361.25510	3.0
365.24460	2.4
375.26926	2.8
376.65631	1.4
403.30222	2.8
437.30313	1.4
485.34290	1.8
491.34650	2.5
503.35068	1.7
547.39465	4.0
565.40533	20.8
583.41492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01876	1.8
55.05508	16.9
57.07078	8.5
59.04994	3.4
65.03938	4.4
67.05505	27.7
69.03438	7.1
69.07067	18.8
71.04993	1.8
77.03925	1.5
79.05496	28.5
81.03411	1.6
81.07059	37.2
83.04969	9.8
83.08617	8.6
85.06562	7.7
91.05484	47.8
93.07046	52.0
93.07632	3.0
95.04996	8.3
95.08609	30.6
97.06552	5.3
103.05489	4.0
105.07033	70.7
107.04951	1.6
107.08600	46.3
109.06521	7.0
109.10161	19.9
111.08102	3.1
115.05486	6.0
116.06274	2.3
117.07022	18.9
119.08585	76.3
121.06591	3.3
121.10146	46.3
123.08073	15.6
123.11732	7.1
125.06025	4.1
125.09688	1.6
128.06224	10.5
129.07008	16.4
130.07788	7.0
131.08571	32.7
131.37210	1.2
132.09402	1.6
132.15678	1.4
133.06494	2.7
133.07549	1.5
133.10136	38.7
135.08054	12.0
135.11684	15.6
137.09596	11.7
139.11174	1.4
141.07005	8.5
142.07779	22.4
143.08568	39.8
144.09357	6.4
145.10126	51.9
145.31888	1.3
147.08054	18.9
147.09091	2.0
147.11696	15.0
149.09645	6.2
149.13283	4.5
151.07533	13.8
151.11243	2.5
153.07039	3.5
153.09163	1.6
154.07735	3.0
155.08543	17.8
156.09363	20.4
157.10130	50.1
158.10950	7.9
159.08116	5.4
159.11702	24.6
161.09639	7.4
161.13258	8.4
163.11160	8.8
165.07062	7.2
165.09109	30.5
166.07854	3.2
167.08578	10.8
167.10687	10.8
168.09361	10.1
169.10132	26.9
170.10892	9.7
171.08000	2.0
171.11694	32.7
173.09650	4.4
173.13261	26.5
173.14670	1.8
175.11255	3.1
175.14857	8.4
177.09186	1.8
177.12779	1.9
178.07817	1.8
179.08546	13.8
180.09291	6.4
181.10138	15.6
181.12263	5.9
182.10930	6.8
183.11694	28.1
184.12512	7.5
185.09723	2.2
185.13231	16.5
187.11240	2.2
187.14832	7.2
189.12796	4.5
191.08556	1.9
191.14288	9.6
192.09355	5.1
193.10097	13.3
194.10913	12.1
195.11691	22.5
195.13402	1.9
196.12401	7.5
197.09515	1.7
197.13248	20.1
197.14728	1.8
198.10440	1.3
199.11174	2.6
199.14864	16.1
201.12828	1.8
201.16454	2.9
203.14336	15.9
205.10197	5.6
205.12117	1.7
206.10945	8.8
207.11777	19.1
207.13866	6.6
208.12468	7.6
209.13264	29.0
209.15079	2.0
210.14137	4.0
211.11307	2.6
211.14815	10.4
212.15791	1.3
213.12846	3.5
213.16443	4.2
215.14241	1.5
216.09459	1.6
217.10170	4.0
217.15881	10.3
218.11032	2.2
219.11790	8.9
220.12480	6.8
221.13303	15.7
221.15451	60.1
222.14134	4.3
223.14822	15.2
224.15517	2.3
225.12801	2.6
225.16492	5.1
227.14395	2.2
227.18073	2.0
229.10265	1.7
229.15981	1.7
231.11763	5.1
231.17511	2.5
232.12511	4.2
233.13263	10.3
233.15466	5.0
234.14114	4.4
235.14848	14.1
235.16965	1.9
236.15698	3.4
237.16391	7.4
239.14319	1.9
239.18021	4.3
243.11600	3.0
245.13339	5.5
246.14172	5.5
247.14903	8.9
247.16954	3.0
248.15630	3.6
249.16357	12.3
250.17261	2.2
251.18059	4.4
252.58644	1.4
253.16109	1.8
253.19588	1.6
257.13260	2.0
257.18948	7.6
258.14227	2.2
259.14914	5.5
259.20825	1.6
260.15680	6.4
261.16461	9.5
263.17929	7.7
265.19601	6.1
267.17349	2.4
269.13348	1.7
269.19089	4.8
271.14764	2.2
271.20505	2.3
272.15652	1.9
273.16449	4.7
274.17276	2.6
275.17914	12.1
277.19632	5.0
279.17444	3.0
279.21332	1.6
281.19138	2.4
283.14755	1.7
283.20572	14.0
283.22977	1.3
287.17740	3.1
287.20447	2.9
289.16602	1.5
289.19620	5.8
290.20349	1.8
291.21109	2.7
293.19202	1.9
295.20721	3.6
297.22223	4.4
300.21069	3.5
301.19461	3.0
303.21255	3.3
307.20575	1.7
309.22150	1.6
327.21017	1.6
331.24155	7.2
333.22122	1.6
341.22751	1.9
347.23947	1.8
348.24307	1.8
349.25220	6.7
352.23929	2.2
357.25943	1.8
359.23776	1.9
361.25461	2.5
365.24918	2.6
367.79178	1.4
375.26651	7.3
401.28552	1.4
403.29709	6.8
473.33795	1.7
491.35028	6.1
503.35391	4.3
526.44238	1.7
547.39569	4.1
565.40375	20.5
583.41656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55497	0.9
53.03945	2.9
54.30727	1.1
55.01850	1.1
55.05508	9.1
57.07076	5.9
59.04995	2.0
65.03940	2.4
65.84203	1.0
67.05505	14.0
68.96215	0.9
69.03448	4.9
69.07069	11.8
69.55632	6.2
71.04975	1.2
77.03914	1.4
79.05076	0.9
79.05499	15.6
81.07057	21.1
83.04979	5.8
83.08629	5.7
85.06529	5.1
91.04910	1.0
91.05483	28.0
93.07043	36.7
95.04972	6.1
95.08609	24.2
97.06525	2.5
98.20717	1.1
103.05456	1.9
105.07031	46.6
106.18457	1.1
107.08592	26.6
109.06505	6.7
109.10166	12.5
111.08104	2.2
115.05474	2.6
117.07030	10.7
119.08586	50.6
121.06511	3.0
121.10149	30.2
123.08085	12.5
123.11733	4.7
125.05975	2.0
125.09609	1.9
127.05531	0.9
128.06210	8.5
129.06995	11.7
130.07806	5.2
131.08575	21.2
133.06538	1.3
133.10127	26.4
135.08061	7.6
135.11687	8.6
137.09593	6.0
139.11177	2.2
141.06985	5.7
142.07787	14.0
143.08556	24.0
144.09326	4.6
145.06435	1.5
145.10126	32.9
147.08049	13.0
147.11682	10.4
149.09642	4.1
149.13280	1.7
151.07533	15.0
151.11270	1.3
153.07048	2.9
154.07762	2.2
155.08565	10.4
155.10599	1.4
156.09351	12.3
157.10136	35.8
158.10912	4.3
159.08072	2.9
159.11699	18.8
161.09633	5.1
161.13271	5.3
163.11221	3.9
165.07068	4.9
165.09111	26.0
166.07820	1.5
167.08603	7.1
167.10696	7.1
168.09341	5.4
169.10121	19.1
170.10907	6.7
171.11699	21.7
172.12492	1.8
173.09648	2.2
173.13264	14.9
173.53098	1.3
175.11267	3.3
175.14833	6.9
177.09108	1.3
178.07849	1.6
179.08545	8.6
180.09369	3.5
181.10155	12.8
181.12210	4.5
182.10863	5.0
183.11707	19.8
184.12503	3.8
185.09636	1.3
185.13284	12.5
187.11215	2.4
187.14807	5.8
189.12799	5.1
191.08655	1.6
191.10669	1.2
191.14369	6.4
192.09438	2.6
193.10127	8.4
194.10970	8.6
195.11688	14.9
196.12402	4.7
197.13269	15.5
198.14159	1.4
199.11223	1.8
199.14847	8.9
201.12802	1.7
201.16495	1.2
203.08676	1.3
203.14330	10.2
205.10120	5.0
206.10870	5.1
207.11742	11.6
207.13820	4.4
208.12485	5.1
209.13272	17.2
209.15207	1.5
210.14018	2.1
211.14861	9.0
213.12758	1.8
213.16426	1.9
215.14323	1.6
217.10260	2.5
217.15872	5.9
218.10892	2.8
219.11673	5.8
219.13603	1.0
220.12502	4.0
221.13263	11.4
221.15424	43.4
222.14027	2.4
223.14752	8.7
224.15514	2.4
225.12784	2.3
225.16422	4.8
227.14423	2.6
229.10255	1.4
230.11079	1.4
231.11752	3.3
231.17555	1.2
232.12553	3.3
233.13258	7.5
233.15437	2.6
234.14046	2.1
235.14798	7.0
236.15596	1.3
237.16385	6.3
239.14166	1.4
239.18008	3.3
241.15887	1.4
241.19588	1.4
243.11702	2.8
244.12558	2.7
245.13347	5.8
246.14104	2.4
247.08131	1.0
247.14841	6.5
247.17021	1.8
248.15540	1.6
249.16409	5.6
250.17224	1.9
251.17999	3.1
253.15770	1.1
253.19774	2.1
255.17723	1.1
257.13324	2.2
257.19043	4.0
258.14197	1.3
259.14896	3.9
260.15637	3.5
261.16425	5.0
262.17264	1.4
263.14200	1.1
263.17938	4.2
265.19467	6.1
268.68390	1.0
269.19077	3.0
271.14877	2.0
271.20569	2.2
272.15585	1.7
273.16312	3.3
275.17908	6.9
277.19562	3.5
279.21179	1.6
281.19067	2.6
283.20575	10.9
285.16254	1.3
287.20215	2.9
289.19482	2.5
290.20178	1.2
291.20999	1.8
293.18970	1.1
295.20663	3.2
297.22162	3.7
299.17487	1.2
299.20511	1.3
301.19479	1.8
303.21100	1.9
307.20523	1.6
309.22073	1.2
331.24310	4.3
343.24255	1.4
347.23788	1.3
349.25238	4.9
352.24115	1.1
357.25836	1.5
365.25021	2.1
373.25330	1.0
375.26840	5.3
385.28915	1.7
403.29926	6.4
427.30060	1.2
491.35248	3.4
503.35257	2.8
509.34396	1.7
547.39105	3.0
565.40442	25.2
583.41510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3607
Annotation	Camangeloyl acid
Peak:m/z	Relative Intensity
51.04463	0.5
51.15786	0.5
53.03922	0.7
55.05498	2.0
56.85382	0.5
57.03429	0.9
57.07055	1.0
57.12507	0.5
58.32173	0.5
59.65542	0.6
65.03933	0.6
67.05231	0.5
67.05506	5.6
69.07052	1.6
71.56709	1.1
79.05489	3.5
81.07055	5.2
83.04977	0.9
83.08598	1.3
86.54151	0.5
86.54666	0.6
91.05475	3.3
91.05937	0.5
93.07045	4.6
95.04932	1.1
95.08611	6.0
97.06521	0.6
99.21320	0.5
105.07058	3.7
107.08566	3.0
109.10117	1.9
117.06962	1.1
119.08585	4.1
121.10135	2.5
123.08096	0.8
123.11676	0.7
128.06227	0.8
129.07027	0.7
131.08565	1.9
133.10110	1.4
135.08084	0.6
135.11671	2.1
143.08528	1.8
145.10139	3.1
147.08025	1.2
151.07558	0.7
156.09302	0.7
157.10149	1.8
159.11632	2.1
163.11153	1.3
165.09117	1.2
169.10080	1.5
170.99132	0.6
171.11644	1.7
173.13200	0.7
175.14864	0.7
180.09447	0.5
181.10132	0.9
183.11731	0.8
185.13293	1.1
195.11647	0.9
203.14342	0.8
221.15335	1.7
249.10991	16.8
253.12257	0.6
290.95181	0.6
305.13574	6.9
491.35025	1.5
541.24323	1.0
583.35870	100.0
584.36066	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.4
55.01870	13.0
55.05275	3.3
55.05516	50.0
55.15813	2.9
55.40837	2.8
57.03421	5.6
58.52979	3.0
61.02923	7.3
65.58353	2.9
67.05502	17.7
69.03441	41.2
69.07062	10.0
69.94791	16.0
70.74184	3.1
71.04971	8.1
73.02907	8.6
79.05493	26.4
81.03421	36.9
81.07063	37.8
82.02917	4.5
83.04988	79.2
83.08624	7.3
85.02909	100.0
87.00834	47.3
91.03728	3.3
91.05493	29.8
93.07073	28.5
95.04967	10.6
95.08624	23.8
97.02907	33.4
97.06538	4.7
99.04466	16.1
103.05490	8.8
105.01862	52.4
105.07034	39.4
107.04939	3.5
107.08601	32.8
109.02882	39.4
109.06513	6.0
109.10171	17.6
111.04531	3.6
111.08038	4.1
115.05481	8.5
117.01830	6.3
117.07021	24.2
119.08584	55.3
121.06496	6.0
121.10143	27.4
124.92979	3.3
127.03917	68.3
128.06212	7.2
129.01822	4.1
129.06996	12.6
130.07780	3.7
131.08560	30.1
133.06480	7.7
133.10146	43.7
135.08090	16.3
135.11697	33.2
135.83316	3.4
137.05959	5.0
137.09631	4.7
141.06967	7.7
142.07751	14.7
143.08565	17.1
145.04976	36.2
145.06467	14.0
145.10175	21.4
147.08063	24.3
147.11699	15.5
149.09612	12.2
149.13275	7.2
151.11206	5.4
153.07040	3.9
155.08525	8.4
156.09357	11.5
157.06477	4.8
157.10138	30.3
159.02928	18.5
159.08104	13.0
159.11696	26.2
161.05991	12.9
161.09688	17.3
161.13243	16.4
163.07553	9.2
163.11159	6.4
165.06912	5.4
167.08589	6.7
168.09221	3.9
169.10178	16.2
170.10808	4.2
171.08043	8.9
171.11713	25.7
173.09648	12.8
173.13297	9.8
175.07547	8.5
175.11234	6.0
175.14746	4.2
177.09114	14.0
177.12686	3.7
179.08557	3.7
179.14345	3.9
181.10109	10.7
183.08090	6.3
183.11714	23.5
185.09621	9.8
185.13286	19.1
187.07550	7.7
187.11176	6.0
187.14806	6.4
189.09111	9.6
189.12816	4.8
192.09280	3.9
193.10117	8.5
195.08052	4.0
195.11719	9.4
197.09679	7.8
197.13316	9.9
199.11169	14.5
199.14899	8.0
200.76167	3.1
201.12773	6.6
207.11674	7.3
209.09508	4.1
209.13248	4.7
211.11238	6.7
211.14857	5.8
213.12737	15.8
215.18031	17.4
217.12233	4.8
217.15923	6.6
218.10939	3.8
223.11226	6.2
225.09186	8.2
225.12663	6.9
225.16356	3.6
227.17969	13.4
229.12265	6.4
230.10870	5.5
231.05092	20.5
231.13838	6.5
233.09737	3.3
233.13145	4.4
233.15331	4.8
233.18999	4.0
235.11282	6.8
239.10693	6.5
241.12253	4.8
243.11665	5.5
243.13866	6.1
244.12480	3.6
245.13419	4.9
245.15547	4.6
247.14879	5.3
249.05920	4.4
251.14316	4.5
261.12537	3.8
271.14633	5.2
273.22189	5.9
275.17963	5.2
281.22702	32.6
285.16296	4.7
287.14355	5.0
299.23679	86.5
301.15775	5.7
317.24768	30.7
329.15170	5.5
341.18893	4.1
345.18387	7.7
357.18649	9.3
359.20053	11.4
369.18524	9.2
375.19482	6.2
387.19357	24.4
401.17148	5.2
403.18387	3.7
405.20639	31.2
423.21780	16.1
465.23199	17.0
483.23877	11.0
565.28455	7.4
583.25616	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.2
55.01869	8.9
55.05516	63.6
57.03431	4.6
59.08924	3.1
60.04523	7.8
62.34111	2.6
65.03934	3.4
65.57102	2.8
67.05509	14.1
69.03432	17.4
69.07060	10.0
69.18689	34.0
70.06593	4.0
71.04999	4.8
79.05487	22.6
81.03432	14.6
81.07059	22.4
82.07444	3.0
83.04987	100.0
85.02922	15.3
87.00816	3.0
91.05486	40.8
93.07066	25.7
95.04970	20.5
95.08639	15.7
97.02877	6.8
97.06544	5.5
98.21499	8.1
99.04431	4.1
102.55869	3.1
103.05463	5.5
105.07036	36.3
107.04970	6.8
107.08597	23.1
109.02885	3.7
109.06516	12.9
109.10139	10.0
111.04402	5.3
115.05460	10.9
116.06266	3.4
117.07031	20.9
119.04972	3.8
119.08578	50.0
121.06509	10.8
121.10134	11.8
123.08084	4.7
125.06030	5.1
127.03931	8.2
128.06221	12.3
129.07030	20.6
130.07848	4.6
130.10457	3.2
131.08543	28.0
133.06502	12.8
133.10153	34.4
135.08055	11.7
137.05984	13.5
137.09618	3.9
139.06316	3.1
141.07005	9.4
142.07773	13.9
143.08574	30.2
145.06471	19.1
145.10123	20.8
147.04309	4.3
147.08067	37.2
147.11678	5.3
149.09637	17.7
151.07565	5.5
153.06999	7.2
154.07776	7.1
155.08565	18.7
156.09337	17.2
157.06512	3.2
157.10135	36.9
158.07166	4.2
159.08066	24.4
159.11691	19.1
161.05971	13.6
161.09584	24.9
163.07558	18.6
163.11128	5.7
165.05490	3.9
165.07002	7.8
165.09108	7.4
167.07118	6.5
167.08580	10.9
169.06540	4.5
169.10139	28.5
170.10890	9.8
171.08105	11.2
171.11697	40.0
172.08769	5.5
172.12238	4.3
173.05960	9.8
173.09650	24.5
173.13211	8.8
175.07550	9.0
175.11160	6.3
177.09123	11.2
178.07797	4.3
179.08557	8.4
179.10645	7.7
180.09190	3.8
181.10060	17.5
182.07341	4.1
182.10922	6.8
183.08026	10.6
183.11708	20.7
184.08797	3.6
184.12067	3.4
185.09595	19.2
185.13286	21.9
187.07587	15.4
187.11160	14.2
189.09142	9.2
191.07066	4.7
191.10706	7.6
192.09351	9.3
193.10156	14.9
195.08026	4.7
195.11771	20.7
196.08873	4.5
197.09642	15.7
197.13322	16.7
198.10313	6.8
199.11186	36.9
200.11923	11.6
201.09070	7.3
201.12640	7.5
203.08621	5.0
203.10561	4.1
205.10204	5.4
206.10979	6.5
207.08098	3.3
207.11722	10.2
208.12517	3.3
209.09610	7.4
209.13254	9.8
210.10289	5.6
211.11154	18.2
212.11737	4.1
213.09195	3.9
213.12727	37.5
214.13159	4.8
215.10670	3.9
215.14236	8.5
217.10234	5.6
217.12254	4.3
219.11789	8.0
219.13779	4.7
220.12442	5.5
221.09698	8.0
221.13300	7.0
222.10367	3.3
223.11226	7.5
223.14856	5.5
225.09052	7.4
225.12735	17.2
227.10681	7.4
227.14186	5.3
229.10194	4.7
229.12244	5.9
230.10831	5.7
231.08066	3.8
231.11696	9.3
231.13850	13.3
232.12305	5.1
233.09685	4.2
233.13295	10.3
234.14195	3.7
235.11211	4.3
235.14806	5.7
236.11964	4.3
237.12749	7.3
239.10756	3.5
241.12254	9.5
242.10689	5.6
243.11847	6.1
243.13850	12.8
244.12434	3.9
245.13477	7.6
246.13991	8.9
247.11266	7.5
247.14809	10.7
249.12654	11.6
249.16393	5.4
253.12343	5.0
253.15845	3.8
255.11670	7.2
256.12317	5.3
257.13394	5.5
258.13950	5.4
259.15103	6.1
260.11658	3.6
261.12793	8.2
261.16394	9.0
262.13605	4.3
262.16833	3.4
263.14334	9.2
268.12430	4.2
269.13287	5.9
270.13925	4.5
271.14813	10.0
272.15631	6.1
273.12564	4.5
273.16531	6.4
274.13351	4.3
275.14499	6.6
275.17685	3.8
277.11801	4.0
277.14450	5.9
279.13885	4.6
279.59641	3.1
282.10126	4.1
283.14792	6.9
284.15714	3.5
285.12799	7.1
285.16147	4.8
286.16888	3.8
287.14310	4.9
287.17856	4.2
289.12326	4.0
289.15765	5.8
291.17316	5.9
296.11804	3.9
297.12369	3.5
299.14188	6.8
300.15024	5.0
301.15903	7.8
301.19119	5.5
303.13837	5.3
303.17300	7.9
304.17975	4.8
311.14255	7.3
313.15973	4.2
313.19455	6.0
315.13855	4.1
317.15405	6.2
321.18301	4.9
326.16766	5.8
327.17300	6.0
329.15363	4.9
329.19098	4.8
331.16650	3.5
333.18613	4.4
335.29971	6.5
339.13782	4.9
339.19571	3.8
341.19025	16.3
343.16907	6.2
345.18546	8.4
347.16245	6.6
347.20090	3.5
357.18463	14.2
359.20193	24.8
361.17902	7.2
363.19714	4.3
369.18530	23.3
375.19437	15.5
377.21231	17.2
387.19556	73.8
396.18909	3.9
405.20636	79.6
423.21725	31.9
447.21616	11.8
465.22696	22.6
483.23782	19.3
564.74274	3.4
565.27960	21.4
583.28473	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.01874	3.0
55.05519	54.8
55.05790	2.6
55.45837	1.0
67.05501	2.5
69.03438	2.0
69.07072	1.4
69.28782	2.6
69.29182	8.1
79.05515	3.2
81.03420	2.6
81.07047	1.9
83.04992	100.0
91.05482	7.7
93.07049	3.8
95.04977	3.5
95.08605	2.9
97.06521	1.2
98.20778	2.1
103.05475	2.4
105.03340	1.7
105.07040	8.4
107.04975	2.6
107.08602	4.1
109.06503	3.1
109.10153	2.5
115.05467	5.1
117.07016	9.0
119.08600	10.6
121.06491	1.4
121.10140	5.4
123.08049	2.0
128.06233	5.4
129.07005	6.2
131.08597	4.4
133.06598	1.9
133.10150	23.9
135.08070	3.0
137.09621	1.3
141.07001	1.8
142.07779	4.0
143.08603	4.9
145.06506	7.9
145.10182	5.4
147.08073	29.0
147.11722	8.6
149.09651	6.2
152.55019	1.2
155.08571	2.8
156.09352	3.4
157.06548	1.4
157.10187	7.7
159.08080	6.8
159.11688	3.1
161.09615	9.3
163.07549	16.7
165.09161	1.1
167.08609	1.3
169.06366	1.7
169.10126	1.8
170.10829	2.5
171.08110	8.7
171.11726	12.5
173.06010	4.3
173.09634	10.6
173.13232	2.4
175.07564	2.7
175.11224	3.9
179.08624	1.5
179.10614	1.8
181.10129	2.7
183.08142	1.7
183.11679	1.9
184.08896	1.2
185.09673	7.3
185.13264	6.5
187.07573	2.2
187.11229	3.7
189.09128	1.5
189.12796	4.1
191.10680	2.5
193.10521	1.4
193.12242	7.9
195.11714	1.5
197.09653	3.2
197.13297	1.4
199.11191	4.6
201.09227	1.6
201.12805	3.1
203.10663	2.2
203.14287	2.2
209.13309	1.7
211.07550	4.1
211.11331	1.3
211.13249	2.3
213.09126	5.4
213.12706	7.4
215.10744	1.5
217.12260	3.7
221.11668	1.9
223.11188	2.2
229.08640	2.2
231.13815	4.4
233.15382	2.1
237.12682	1.8
237.62091	1.1
239.14246	1.3
241.12331	2.6
243.13918	1.9
245.11804	4.6
247.10957	1.4
249.14885	4.9
253.12296	1.1
257.11752	1.3
258.58170	1.2
259.13187	5.3
261.14886	2.6
263.14426	1.6
267.14111	1.1
276.15201	1.2
277.14423	5.5
287.14343	1.9
289.15964	1.5
291.13785	1.9
297.12830	1.4
299.14536	1.7
303.13852	1.2
311.14160	1.6
312.14944	1.6
313.15924	2.6
315.13589	1.1
317.15265	2.0
317.18970	3.0
327.13623	1.6
327.17438	3.4
328.18213	1.7
331.17007	1.5
331.20435	1.2
341.19144	2.1
345.18469	3.9
359.20074	5.4
363.19641	2.5
372.16974	1.3
377.21216	7.4
387.19608	18.5
395.22122	1.6
405.20712	31.9
423.21732	15.0
483.23691	3.4
505.25900	3.0
523.27008	2.1
583.29132	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	583.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05788	3.2
53.03944	7.4
54.59332	2.9
55.01861	14.1
55.05513	56.9
67.05501	9.9
69.03426	7.9
79.05499	16.5
81.03407	13.7
83.04993	100.0
85.02888	10.8
89.70856	3.2
91.05495	26.8
93.07044	11.1
95.01352	4.0
95.04977	25.8
95.08595	9.6
101.06025	8.1
103.05475	6.4
105.03391	29.6
105.07035	22.0
107.04960	9.6
107.08595	13.2
107.09308	3.3
109.06519	11.8
115.05460	12.0
117.07057	19.1
119.08603	36.1
121.06513	6.3
121.10131	4.5
128.06276	7.6
129.06992	17.5
131.04918	13.9
131.08592	22.2
133.06477	14.1
133.10127	11.0
135.08075	27.1
141.06912	6.3
142.07774	10.4
143.08568	14.1
145.06511	13.5
145.10158	16.8
147.08063	49.6
149.09631	9.5
151.07553	4.9
155.08568	8.2
156.09331	10.3
157.10176	25.1
159.08093	26.2
159.11696	28.1
161.09653	23.5
163.07507	6.1
165.06966	7.2
169.10162	22.6
170.10909	5.7
171.08017	8.4
171.11662	23.4
173.05981	8.5
173.09605	18.6
175.07541	39.8
175.11243	4.5
179.08565	5.3
180.09363	4.7
181.10130	8.3
183.11722	23.5
184.08792	4.4
185.09622	10.6
185.13242	17.8
187.07596	4.9
187.11221	17.4
189.09090	10.0
192.09502	4.8
193.10135	9.1
195.11662	8.7
197.09682	10.8
197.13264	10.3
199.11211	10.2
201.12685	4.3
206.10965	5.2
207.11749	7.8
208.12552	8.5
209.09668	6.5
209.13339	4.0
210.10187	4.0
211.11240	8.5
213.12746	12.3
217.10138	4.4
220.12411	3.8
221.13336	7.6
223.11160	13.5
223.14862	7.6
225.12645	6.5
227.10704	5.3
227.14316	5.1
229.12239	5.3
230.11108	4.5
231.11719	4.2
235.11151	8.1
237.12732	8.1
239.10687	4.2
239.14349	4.3
243.11696	7.5
245.15411	4.9
246.10692	4.4
247.11272	6.7
249.16307	5.1
251.14267	5.3
255.13905	4.7
257.13593	4.7
258.10565	4.5
259.11218	7.6
259.14890	5.6
260.11841	4.2
261.12708	10.0
263.14313	9.8
265.16010	6.7
269.13190	6.0
270.13974	4.9
273.12668	7.0
273.16483	5.4
275.14282	9.8
276.14706	5.5
281.12936	3.9
283.14810	7.3
284.11951	4.6
285.12659	8.8
286.13510	6.3
287.14319	9.1
289.15906	7.9
291.17267	6.2
295.10928	4.7
297.12759	14.7
298.13605	3.9
299.14310	9.1
301.15823	11.6
303.13913	4.8
310.13531	4.6
311.14194	23.0
312.15082	7.0
313.15784	5.8
315.17416	11.1
317.18942	9.6
319.16882	5.2
321.15039	6.4
325.15723	6.8
326.16632	18.5
327.13809	4.5
327.17322	8.1
328.14499	5.6
331.16794	8.2
331.20621	8.7
333.18558	19.2
341.15317	4.6
341.19040	41.1
343.16876	21.8
345.18353	11.0
347.20059	5.6
349.21545	5.1
351.19513	4.2
357.18524	9.3
359.20023	48.6
361.18045	41.3
369.18420	14.6
377.21143	46.8
379.19302	5.3
387.19635	33.3
395.22244	14.2
401.21072	8.6
405.20679	68.5
419.22141	5.0
423.21744	45.0
465.22681	9.3
483.23471	6.7
523.27094	45.4
528.69086	3.8
565.27948	43.3
583.27252	8.0
601.30328	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.01873	21.5
55.05499	3.5
67.05519	6.8
69.03149	3.4
69.03439	41.7
69.07063	6.8
75.36009	3.0
77.51077	2.7
79.05487	13.5
81.03414	12.2
81.07057	9.7
83.04987	4.6
88.84457	2.5
91.05488	33.8
93.07037	8.7
95.04948	10.1
95.08624	5.4
97.06520	2.8
99.91984	2.8
103.05450	4.8
104.48751	3.2
105.07043	36.9
107.04946	5.4
107.08593	10.3
109.06509	9.8
110.17532	2.7
115.05463	14.0
117.07024	26.1
119.08583	35.6
121.06490	10.1
121.10102	7.0
128.06230	12.4
129.06999	28.6
131.04942	4.2
131.08559	23.4
133.06429	3.7
133.10118	26.9
135.08051	6.5
137.09618	5.1
138.28827	3.5
141.06985	7.8
142.07771	12.1
143.08574	29.4
145.06471	23.8
145.10118	23.0
147.08055	100.0
149.09589	8.7
153.06908	4.5
154.07765	3.7
155.08530	9.0
156.09331	16.1
157.06528	3.6
157.10109	29.9
159.08049	50.1
159.11674	9.7
161.09625	54.0
163.07542	8.0
163.11177	3.6
165.07108	6.7
166.07780	4.1
167.08542	6.5
169.10152	14.0
170.10925	13.7
171.08040	17.7
171.11681	57.2
173.05954	7.6
173.09657	29.3
173.13271	6.1
175.07578	13.9
175.11162	5.6
179.08577	5.4
179.10678	10.6
180.09258	3.1
181.10075	6.8
182.07346	3.4
182.10905	7.0
183.08087	5.1
183.11691	28.9
185.09653	25.3
185.13255	51.5
187.07549	8.2
187.11128	19.7
189.09123	4.6
192.09459	3.5
193.10132	9.8
194.10966	3.8
195.11694	8.2
196.08856	4.9
197.09621	11.8
197.13268	8.5
198.10400	6.0
199.11206	33.9
200.11952	4.1
201.09099	4.0
201.12752	10.5
207.11682	6.8
209.09628	5.1
209.13348	6.5
211.11192	11.1
213.09184	3.4
213.12752	67.8
215.10677	7.8
217.12296	10.5
219.11772	5.0
220.12431	4.2
221.13177	4.5
223.11142	10.8
225.09018	3.7
227.10684	4.5
229.09984	5.1
229.12149	4.3
231.09998	5.7
231.11882	5.1
231.13840	11.6
233.11469	3.9
234.14037	4.4
235.11128	4.0
237.12761	8.5
239.10583	4.4
241.12338	14.1
243.10048	7.3
243.13907	5.2
245.15407	33.4
247.11113	6.1
248.11940	4.8
249.12759	6.1
249.16539	4.4
251.10783	3.6
251.14316	5.2
253.12410	5.0
255.11559	5.1
255.13860	7.4
257.13153	3.9
259.13126	21.3
260.11740	3.8
263.14206	5.4
265.12201	4.3
269.13071	4.5
270.14029	6.6
271.10831	4.3
273.14758	19.9
274.13586	3.6
275.14383	5.5
276.11401	4.3
283.11075	4.9
283.14914	5.3
285.12671	6.4
287.14288	9.2
289.15790	3.3
291.16003	21.9
296.11859	4.1
297.12741	10.4
298.13623	4.8
299.14236	7.0
300.15079	5.0
301.15775	6.9
303.13852	4.1
311.14072	6.4
312.15070	9.0
313.12350	3.8
313.15863	5.0
315.17313	9.0
317.18915	11.5
323.16281	6.1
326.16577	5.7
327.13849	4.6
327.17377	25.4
328.18320	4.1
329.15262	4.5
329.18854	5.4
331.20554	3.6
341.19064	14.3
345.18594	14.4
359.19937	12.1
369.18454	12.6
375.19727	3.6
377.21088	7.1
387.19577	37.6
389.20901	8.3
391.22604	8.5
401.21198	39.0
405.20786	23.9
419.22116	50.2
420.55173	3.8
437.23334	25.5
447.21515	5.9
461.23016	6.6
465.22836	16.1
479.24124	12.2
497.25601	16.4
505.25430	5.3
551.26270	6.6
565.27911	9.1
583.28656	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	583.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96998	3.1
51.23019	3.0
55.01878	19.9
55.05511	7.6
67.05494	8.4
69.03131	3.5
69.03441	37.0
69.07071	7.4
69.18784	9.9
69.19209	20.4
79.05488	13.3
81.03412	14.2
81.07053	8.2
83.04982	11.8
91.05486	32.1
93.07047	13.4
95.04954	17.0
95.08601	9.7
97.06548	8.3
103.05476	5.0
105.07040	35.1
107.04991	6.5
107.08614	14.7
109.06526	10.8
109.10162	6.0
115.03796	3.4
115.05463	16.1
116.06256	6.3
117.07037	24.6
119.08591	44.1
121.06561	6.3
121.10174	7.4
122.83652	2.9
128.06226	15.0
129.07010	24.0
130.07785	5.8
131.04958	5.5
131.08586	23.8
133.06531	4.5
133.10141	31.0
135.08035	9.1
141.07028	8.7
142.07768	17.4
143.08589	26.3
145.06500	21.7
145.10152	25.3
147.08060	100.0
147.11679	3.3
149.09631	10.9
153.07011	4.7
155.08554	14.2
156.09338	19.1
157.06540	4.2
157.10153	40.6
158.07278	5.4
159.08063	46.5
159.11690	12.6
161.09648	59.1
163.07533	11.3
163.11153	5.6
165.07056	7.0
167.08536	3.6
169.10126	19.1
170.10924	16.1
171.08054	23.1
171.11702	53.3
173.06029	9.2
173.09648	29.7
173.13309	5.8
175.07547	9.5
175.11194	7.8
179.08569	6.3
179.10709	11.4
180.09396	5.7
181.08684	3.7
181.10146	11.4
182.11044	4.2
183.08104	4.1
183.11697	27.9
184.08827	7.1
185.09695	23.3
185.13264	48.6
187.07504	6.7
187.11169	15.0
189.09102	3.4
191.10696	5.2
192.09508	3.7
193.10143	6.4
193.12231	3.4
195.08080	6.0
195.11697	10.2
196.08875	5.1
197.09631	13.9
197.13322	10.6
198.10439	4.5
199.11174	33.3
201.12737	7.1
203.10664	3.7
205.10110	3.8
206.11090	3.4
207.11789	9.2
208.12421	3.9
209.09674	5.7
211.11246	7.0
213.09428	5.8
213.12737	68.6
213.18410	3.3
215.10736	6.2
217.10249	4.2
217.12216	9.2
221.09633	5.6
221.13322	6.1
222.10352	4.0
223.11189	7.7
225.09261	4.7
225.12772	6.6
229.10170	5.3
229.12245	7.0
230.10912	4.2
231.10022	6.1
231.11916	5.5
231.13899	13.8
235.11230	4.2
235.14835	4.8
237.12790	12.7
239.10817	3.6
241.12260	12.3
243.10008	6.3
243.13940	7.6
244.12437	5.0
245.13350	5.9
245.15398	25.3
246.14156	3.3
248.11943	3.3
249.12851	6.9
251.14360	4.6
255.13803	7.1
257.13300	6.2
259.11047	4.7
259.13123	23.0
261.12564	6.8
263.14212	6.9
263.16611	3.4
271.11136	5.3
271.14957	4.3
273.14920	13.4
275.14288	4.5
277.16040	3.9
279.13785	4.3
281.15558	4.7
282.13974	3.8
283.14771	4.8
285.12738	4.5
285.16229	3.1
287.14410	6.6
291.16003	23.0
297.12769	12.2
297.16278	4.2
298.13602	4.4
299.14407	6.6
299.17862	3.8
301.15945	5.4
311.14362	9.0
312.15076	7.0
313.15988	6.3
313.19296	4.2
315.17407	8.4
317.18872	6.2
323.16568	6.0
326.16492	4.0
327.17465	24.8
329.15411	7.3
329.19034	7.0
331.20532	5.6
339.13416	3.7
341.19034	20.0
345.18466	17.6
357.18704	5.8
359.19989	14.8
369.18393	12.3
375.19498	4.5
377.21021	8.9
387.19608	28.4
389.20816	3.5
391.22577	8.9
401.21176	29.7
405.20703	20.6
407.22000	5.3
419.22269	42.0
423.21747	3.8
437.23370	26.0
439.28351	5.3
447.21783	4.0
461.23303	9.1
465.22595	9.6
472.13214	3.3
479.24597	14.0
497.25357	11.1
551.26208	5.7
555.26978	3.8
565.27844	8.1
583.29376	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	583.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74475	1.3
53.03940	2.1
54.22393	1.4
55.01872	22.2
55.05500	4.6
55.44678	1.4
56.22562	1.3
65.03963	1.6
67.05515	7.8
69.03430	47.0
69.03810	2.3
69.07058	6.6
69.21635	14.4
79.05486	13.7
81.03413	12.2
81.07058	10.9
83.04979	5.7
89.95619	1.4
91.05485	43.6
93.07040	13.9
95.04970	16.6
95.08609	8.7
97.06517	3.9
103.05460	6.8
105.07037	33.6
107.04940	5.9
107.08593	11.0
109.06534	10.3
109.10152	4.1
113.05940	1.6
115.05459	17.2
116.06233	3.5
117.07030	23.4
119.04932	2.4
119.08580	43.8
121.06566	8.6
121.10130	7.2
123.08089	3.2
128.06216	14.5
129.07013	31.8
130.07753	4.9
131.04924	10.5
131.08589	29.2
132.05719	2.7
133.06480	7.0
133.10130	26.7
135.08029	10.8
135.11687	1.6
137.09630	3.3
141.06993	6.8
142.07782	16.9
143.08566	31.7
144.05692	2.9
144.09402	2.9
145.06520	22.7
145.10123	23.7
146.07326	2.6
147.08051	100.0
147.11685	6.2
149.05975	1.6
149.09625	9.8
152.06143	1.9
153.06989	3.4
154.07724	3.2
155.08577	11.9
156.09358	20.6
157.06509	3.2
157.10132	48.1
158.07272	6.3
159.08063	57.6
159.11697	12.0
161.05962	2.6
161.09624	71.1
161.13216	2.2
163.07530	10.5
163.11136	6.2
165.06984	5.7
165.09164	3.9
166.07764	3.8
167.08575	7.6
168.09349	3.7
169.06468	2.8
169.10127	20.6
169.91245	1.9
170.07257	1.9
170.10948	10.3
171.08060	20.2
171.11693	64.3
172.08833	2.2
173.05977	9.2
173.09633	31.9
173.13225	7.6
175.07558	11.0
175.11192	7.6
177.09029	1.9
178.07811	2.5
179.08565	6.2
179.10710	10.0
180.09399	4.5
181.08717	1.8
181.10114	9.7
182.07233	2.4
182.10905	4.2
183.08037	6.3
183.11707	29.5
184.08852	4.8
185.09660	25.9
185.11530	3.3
185.13254	57.5
187.07567	9.0
187.11174	16.1
187.14854	2.2
189.09082	2.9
189.12750	3.3
191.08656	2.3
191.10657	5.7
193.10124	8.7
193.12129	1.5
194.10933	2.6
195.07985	2.3
195.11685	13.9
196.08868	2.7
196.12476	1.9
197.09631	14.2
197.13254	12.0
198.10370	8.5
199.07475	2.6
199.11177	39.2
200.11877	2.9
201.09106	5.0
201.12756	9.1
202.07858	1.7
203.08606	3.1
203.10597	2.0
203.14346	3.4
204.09354	1.4
205.10147	3.7
205.12262	4.9
206.10948	4.6
207.11685	8.1
208.08836	2.5
208.12350	1.8
209.09709	6.9
209.13293	7.7
210.10457	2.9
211.11136	9.8
213.09157	6.1
213.12750	68.8
213.14813	3.3
215.10646	11.1
215.14383	2.1
216.09358	3.5
217.10289	2.4
217.12244	6.8
218.10938	5.1
219.08110	1.7
219.11671	5.0
219.13675	2.4
219.47044	1.6
220.12456	2.6
221.09644	3.8
221.13290	6.9
222.10474	2.3
223.11203	11.8
223.14774	4.0
225.09108	1.9
225.12733	5.9
227.10670	5.5
229.10181	3.8
229.12250	10.2
230.10951	3.3
231.10129	5.8
231.11749	4.3
231.13663	14.6
232.12488	4.0
233.09573	3.1
233.13268	4.9
234.14088	2.7
235.11188	5.4
235.14934	1.9
237.12721	13.6
239.10773	4.7
241.12239	12.0
242.10898	2.0
243.10132	6.2
243.11928	4.5
243.13947	4.7
244.12419	4.6
245.09604	3.1
245.11462	2.6
245.13266	3.7
245.15376	30.7
246.10347	2.0
246.13997	2.2
247.11128	4.4
247.15070	2.5
249.12814	7.5
249.16437	2.3
251.10672	2.0
251.14339	6.6
253.12280	4.3
254.10889	2.6
255.11671	3.2
255.13846	10.3
256.12518	1.9
257.09369	2.0
257.13211	5.3
257.15518	3.2
258.10449	2.0
258.14053	3.2
259.11145	2.0
259.13205	28.2
260.11954	2.6
261.12833	7.4
263.10553	1.9
263.14227	5.1
263.16602	3.9
265.12347	1.7
268.12305	2.6
269.13303	7.0
270.10434	2.9
270.13940	2.2
271.11032	3.0
271.14786	4.6
272.11914	2.5
273.12485	4.2
273.14850	23.1
274.10309	2.6
274.13477	3.8
275.14310	6.5
277.12399	3.2
277.15939	2.8
279.13858	4.6
280.12466	1.7
281.15378	4.3
282.10443	2.7
282.13824	1.8
283.11249	2.6
283.14844	6.3
284.12146	3.4
284.15582	4.3
285.12714	6.0
285.16202	2.9
286.13492	4.5
287.14270	10.4
287.17484	2.5
288.15015	3.2
289.12247	3.2
289.15802	2.9
291.13251	2.0
291.15976	22.4
296.12030	2.2
297.12665	9.1
297.15826	2.2
298.13416	3.9
298.16998	2.8
299.14346	8.1
299.17395	2.0
300.14966	2.7
301.12531	2.1
301.15787	9.1
302.16754	2.2
303.13861	3.8
303.17377	3.8
305.15247	2.6
311.13898	8.0
312.14948	9.3
313.15982	8.8
314.13123	1.9
314.16574	3.4
315.14011	2.7
315.17392	11.0
316.18121	3.0
317.15466	2.6
317.18851	9.5
323.16321	6.7
325.15594	2.6
326.16705	7.0
327.13910	2.4
327.17419	24.5
328.14877	2.6
328.18246	5.4
329.15320	8.8
329.18976	5.2
329.37296	1.5
331.16864	2.9
331.20569	4.5
339.13611	3.1
341.19092	20.4
342.16284	2.1
343.16934	5.2
345.18549	16.1
347.16443	2.4
354.16180	2.8
357.18604	7.9
359.16299	1.9
359.20139	12.9
362.18411	2.1
363.19370	2.7
369.18521	15.6
372.16946	3.3
375.19467	4.3
377.21136	6.5
387.19540	32.7
389.20959	7.0
391.22620	11.2
395.21954	2.3
401.21124	34.4
405.20624	23.3
407.22037	3.4
409.23520	2.0
419.22159	49.6
423.21704	3.4
437.23450	24.9
447.21609	5.8
461.23062	5.6
462.75793	1.5
465.22723	14.7
479.24243	11.4
491.23837	3.9
497.25323	14.3
505.25748	3.4
551.26367	7.2
565.28070	9.4
583.28796	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	583.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01869	19.2
55.05515	62.7
65.03920	2.8
67.05498	8.4
69.03431	14.0
69.07064	4.6
70.83119	5.3
73.01103	2.1
79.05494	10.9
81.03416	7.7
81.07069	9.6
83.04987	100.0
91.05483	32.9
93.07053	13.8
95.04955	12.2
95.08607	6.6
97.06522	4.4
103.05509	2.3
105.07025	28.6
107.04946	7.2
107.08609	10.9
109.06521	11.6
109.10146	3.3
115.05465	13.6
116.06236	3.0
117.07012	30.3
119.04943	4.2
119.08586	39.9
121.06499	6.4
121.10126	5.3
123.08077	2.9
128.06236	12.5
129.07011	23.6
130.07773	3.7
131.08588	29.0
133.06473	4.0
133.10141	25.7
135.08066	12.2
137.09644	4.0
141.06993	6.4
142.07788	13.0
142.40628	2.2
143.08577	24.9
145.06474	23.4
145.10124	16.3
146.07237	5.7
147.08058	92.2
147.11729	3.3
149.09608	7.5
154.07759	5.2
155.08569	11.7
156.09355	16.6
157.06480	3.6
157.10143	35.9
157.33383	2.0
158.07268	4.2
159.08075	44.4
159.11693	14.0
161.09645	52.2
161.13269	3.7
163.07549	14.4
165.06999	5.7
165.09169	2.5
166.07820	3.2
167.08577	4.5
168.09418	2.3
169.06438	3.6
169.10147	12.8
170.07285	2.7
170.10912	10.3
171.08081	17.4
171.11707	69.2
172.08818	2.6
173.05968	10.2
173.09630	30.8
173.13228	6.3
175.07597	10.8
175.08833	2.1
175.11165	5.4
179.08580	4.2
179.10670	10.4
180.09319	5.3
181.10147	8.9
182.07356	3.1
183.08012	4.5
183.11703	22.6
184.08812	3.9
185.09668	21.1
185.13252	34.6
187.07549	9.0
187.11168	14.6
187.14778	2.1
189.09106	7.5
189.12840	2.5
191.10704	4.0
192.09348	4.0
193.10127	6.7
195.08113	2.3
195.10149	2.2
195.11636	11.8
196.08896	2.1
197.09665	11.3
197.13177	10.3
198.10359	5.2
199.07451	2.9
199.11182	33.7
200.11856	4.9
201.09108	7.7
201.12779	7.8
203.10646	4.7
203.14357	2.5
204.09224	2.6
207.11711	8.3
209.09654	7.4
209.13210	6.8
210.10535	2.5
211.11179	9.2
213.09273	4.7
213.12753	45.3
215.08694	2.5
215.10654	6.8
215.14215	3.1
217.08530	8.7
217.10336	3.2
217.12224	6.4
218.10907	3.3
219.11748	4.8
220.12517	3.1
221.13234	6.2
223.11238	10.7
223.14832	3.7
225.12729	3.3
227.10660	4.3
229.10190	2.7
229.12172	9.3
230.10867	3.1
231.11748	4.3
231.13800	26.5
232.12486	3.2
233.13348	4.1
234.10361	3.2
235.11078	4.6
237.12756	8.5
239.10609	5.1
240.04027	2.2
241.12225	12.5
243.11873	2.4
243.13864	4.4
244.12595	2.4
245.09595	3.3
245.11533	13.6
245.15469	5.9
246.10376	2.1
246.13969	2.7
247.11136	3.2
248.11943	2.1
249.12660	6.0
249.14885	5.4
251.14220	3.8
253.12270	2.3
255.11668	2.2
258.10632	2.0
258.13742	2.3
259.10941	4.7
259.13187	28.1
260.11996	4.7
261.12708	4.8
263.14325	4.3
265.12204	3.1
268.12799	2.3
269.13278	3.6
270.14059	2.4
271.11127	2.7
271.14874	3.8
273.12589	6.1
273.15082	3.8
275.14209	4.8
277.14450	20.0
279.13953	2.2
281.15823	2.1
283.11108	2.6
283.14771	3.3
284.15695	3.5
285.12604	5.4
287.14328	6.3
289.12201	2.3
289.15714	3.7
291.16263	3.8
297.12686	6.4
297.15811	2.2
299.10538	2.0
299.14203	8.3
300.15048	4.1
301.15714	7.8
303.13974	3.1
303.17517	4.3
305.15268	2.3
309.15195	3.3
311.14270	5.2
312.15060	4.0
313.15854	9.0
314.13184	3.2
314.16589	3.3
315.14020	2.7
315.17532	8.5
317.19000	4.5
326.16574	4.5
327.13983	3.4
327.17352	12.8
328.18399	4.3
329.15283	6.6
330.15845	2.6
341.18878	8.6
345.18527	7.4
347.16391	4.7
355.15494	2.7
357.18457	5.3
359.20181	15.8
361.17697	2.7
363.19550	5.4
369.18588	8.0
375.19485	8.8
377.20978	9.0
387.19543	48.9
393.20563	6.8
395.22171	2.6
401.20871	6.0
405.20587	53.4
419.22415	12.1
423.21683	29.2
437.23627	4.5
447.21680	6.3
465.22614	20.8
483.23779	17.9
487.24368	3.2
565.28082	13.1
583.28674	7.2
597.25189	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	583.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.2
55.01871	3.1
55.05521	13.3
56.96492	1.3
67.05499	7.4
69.03432	6.2
69.40910	3.6
69.41311	11.1
79.05495	9.2
81.03426	13.8
81.07059	3.8
83.04980	18.8
86.89927	1.6
91.05484	18.8
93.03442	3.4
93.07037	13.7
95.04976	15.2
95.08588	1.8
97.06517	3.3
103.05457	4.0
105.07044	22.2
107.04983	2.6
107.08602	3.3
109.06499	2.7
109.10177	3.3
115.05467	4.2
117.07033	5.8
119.04987	2.1
119.08590	28.0
121.02905	7.9
121.06520	10.4
121.10146	2.0
128.06244	4.7
129.07019	8.6
131.04935	3.0
131.08557	11.4
132.05745	1.8
133.06503	17.2
133.10146	16.8
135.08057	3.1
137.09631	2.7
141.06996	5.0
142.07788	7.0
143.08597	11.6
145.06485	7.6
145.10147	4.9
147.08072	28.8
149.09637	3.5
151.07541	2.1
153.07074	2.5
154.07755	2.2
155.08568	10.5
156.09357	5.9
157.06485	2.4
157.10136	16.0
159.08076	7.1
159.11719	3.5
161.05974	14.1
161.09627	17.5
165.07053	4.4
166.07784	5.4
167.08586	8.8
168.09357	2.9
169.06512	2.8
169.10143	18.6
171.08069	6.6
171.11681	14.8
173.09630	4.5
175.07553	4.6
178.07806	3.1
179.08553	6.1
179.10722	5.2
180.02765	1.8
180.09352	3.3
181.10077	10.6
183.08086	3.8
183.11708	5.7
185.09628	9.3
185.13316	2.8
187.07555	1.6
189.09096	4.9
191.08583	3.4
192.09406	4.0
193.10136	10.4
194.10997	5.5
195.08092	3.0
195.11673	11.1
197.09639	6.4
197.13361	3.7
199.07732	1.6
199.11195	15.5
201.09111	2.3
202.07706	2.5
203.08478	3.1
204.09276	2.2
205.10242	3.2
206.10938	4.3
207.06444	2.8
207.11729	8.0
209.09572	3.4
209.13318	4.5
211.11229	2.7
211.14719	1.9
212.12064	2.3
213.12759	3.6
216.09181	1.9
217.10170	7.3
218.10898	3.1
219.11690	6.0
220.08931	2.4
220.12534	4.8
221.09637	3.2
221.13272	6.9
223.11176	10.1
223.14687	2.0
225.12787	4.1
227.10657	15.8
229.10172	3.2
230.10977	2.0
231.11703	8.0
232.12425	3.7
233.09731	2.1
233.13272	4.4
235.11198	3.8
235.14781	4.8
237.12721	3.2
239.08568	2.1
239.10753	4.4
241.10101	2.6
241.12277	3.8
243.11649	5.3
244.08748	2.2
244.12500	3.8
245.13278	4.8
246.10587	3.4
246.14067	1.7
247.11121	3.9
247.14929	6.1
248.11942	2.1
249.12761	4.5
251.10777	4.0
253.10033	2.9
253.12335	2.7
254.10944	2.7
255.11653	2.0
256.12546	2.2
257.13367	3.9
258.14087	4.7
259.11246	2.4
259.15067	1.9
260.11993	2.3
261.12814	5.7
261.16516	2.6
263.14447	4.7
265.12268	3.5
266.11099	2.6
268.12405	2.4
269.13257	4.0
270.10638	2.3
270.13968	3.3
271.11218	2.6
271.14728	3.4
272.29880	1.8
273.12650	2.9
273.16470	2.7
275.10489	1.9
275.14236	3.6
277.12210	1.7
278.10837	1.6
279.14111	1.8
282.13974	1.8
283.14868	4.8
284.12131	2.6
284.15729	1.8
285.12845	3.5
285.16129	2.0
286.13474	3.6
287.14383	1.9
289.16006	2.1
291.13950	3.3
293.15649	2.6
297.12723	5.8
297.16092	2.6
298.13385	2.0
299.14261	3.2
299.17914	1.6
301.15732	4.7
303.13779	4.3
305.15341	3.2
309.12503	3.4
310.13434	1.7
311.14209	3.3
312.14975	3.2
315.13934	2.7
315.17572	2.1
317.15546	3.0
319.13623	2.9
321.12735	2.6
325.15860	2.5
327.13922	3.5
327.17435	5.2
329.15302	5.3
331.17001	3.5
336.15060	3.3
339.13745	3.5
339.17456	5.0
341.18872	5.6
343.16983	7.2
345.14832	6.4
345.18579	10.4
347.16412	2.5
351.17474	7.3
354.16272	2.7
357.18533	52.2
359.16205	3.0
359.20056	16.3
361.18076	2.4
369.18509	52.7
375.19565	14.7
377.21021	3.5
387.19571	100.0
405.20602	49.7
423.21661	8.8
447.21811	16.3
465.22757	20.9
483.23877	29.5
565.27856	6.1
583.29193	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	583.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	13.6
55.05517	51.2
59.05938	3.2
67.05517	3.2
67.63778	3.6
69.03428	8.9
79.05492	9.3
81.03431	10.5
81.07041	3.5
83.04987	100.0
91.05482	29.4
93.07044	8.8
95.04967	8.7
95.08618	6.0
97.06542	3.9
99.04415	3.2
103.05490	4.4
105.07021	25.2
107.04949	7.6
107.08609	9.1
109.06509	7.1
115.05492	9.2
115.16482	3.3
116.06236	3.7
117.07050	19.1
119.08586	28.0
121.10155	5.4
123.08070	3.5
125.91266	3.1
128.06213	5.3
129.07043	20.7
131.04938	6.0
131.08606	20.5
133.06505	9.6
133.10167	23.5
135.08018	5.5
137.09631	4.2
141.07063	3.6
142.07785	10.8
143.08598	17.1
145.06508	24.5
145.10115	12.7
147.08063	76.0
147.11742	3.8
149.09656	7.4
155.08563	9.2
156.09352	12.1
157.10136	34.4
159.08066	35.4
159.11742	10.4
161.09624	44.3
163.07545	11.4
165.07022	6.1
167.08617	3.9
169.10153	7.9
170.10928	7.6
171.08058	13.4
171.11684	41.8
173.05957	13.2
173.09610	17.1
173.13344	6.0
175.07552	13.4
175.11180	4.9
177.09178	4.2
179.10667	9.0
181.10155	5.6
183.11662	15.5
184.08879	4.4
185.09637	18.2
185.13263	30.8
187.07593	5.8
187.11194	12.5
189.09024	5.7
191.10641	5.8
193.10149	4.3
195.11751	6.4
197.09567	9.3
197.13293	6.7
199.11205	24.1
200.12077	3.7
201.09091	6.4
201.12778	5.2
209.09627	3.4
209.13278	4.2
211.11209	7.9
213.12791	35.3
215.10527	5.9
217.08562	5.0
217.12317	6.7
219.11737	3.6
221.13322	3.6
223.11172	7.5
225.12740	4.0
227.10806	5.1
229.12294	6.3
230.10953	3.8
231.13780	35.5
235.11115	5.2
235.15057	4.1
237.12801	4.6
239.10689	3.8
241.12253	12.8
243.13878	4.5
245.11566	16.0
245.15585	3.9
246.10497	3.8
246.14122	4.1
247.11137	6.1
249.14919	6.1
259.13141	22.3
260.11926	3.5
261.12631	4.5
267.14108	4.5
269.13187	6.1
273.12637	6.0
275.14371	5.4
277.14362	19.1
283.10910	3.4
285.12668	7.6
287.14282	8.8
299.14417	6.5
301.15915	4.9
311.13943	4.5
313.15656	6.8
315.17337	6.9
317.18842	5.1
319.13159	3.4
327.17419	10.9
341.18936	8.4
345.18500	13.6
354.16183	4.4
357.18039	4.9
359.19992	12.5
363.19452	4.7
369.18417	11.1
375.19321	9.3
377.21112	11.9
387.19476	47.7
393.20581	4.7
400.32825	3.4
405.15707	6.2
405.20624	68.2
423.21689	32.0
447.21457	6.2
465.22849	19.4
483.23651	17.9
565.27515	14.7
583.29163	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	583.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52146	2.4
53.03934	5.8
54.66148	2.3
55.01866	5.4
55.05270	4.1
55.05518	60.4
58.74428	2.6
65.03959	2.7
67.05522	5.8
69.03419	10.6
69.07058	7.0
69.65628	2.8
78.05377	2.2
79.05487	13.7
79.10796	2.7
81.03413	7.9
81.07077	11.7
83.04987	100.0
91.05482	29.1
92.33087	2.3
93.07043	18.2
95.04986	13.5
95.08577	8.3
97.06531	5.7
98.20782	5.5
99.98154	2.3
103.05447	5.5
104.25133	2.1
105.06522	2.6
105.07046	32.3
107.04935	5.4
107.08591	13.4
109.06492	12.8
109.10167	5.0
110.17848	3.3
115.05441	7.2
117.07016	20.4
119.04966	2.9
119.08595	37.8
121.06485	7.4
121.10130	11.2
123.08066	3.6
128.06194	9.7
129.06996	8.8
130.07767	3.5
131.07718	2.7
131.08578	26.6
133.06526	13.0
133.10136	28.9
135.08051	8.3
137.05951	7.0
137.09605	3.9
141.06967	6.7
142.07776	10.2
143.08565	20.9
143.10582	2.3
144.09317	2.5
145.06493	17.3
145.10138	16.0
147.08060	37.6
147.11722	5.8
149.05907	3.0
149.09581	10.7
153.07016	4.7
154.07835	4.7
155.08543	15.0
156.09352	13.5
157.06494	2.9
157.10155	32.9
158.07312	3.2
159.08080	19.9
159.11740	11.7
161.05960	11.9
161.09634	24.8
163.07582	13.5
163.11195	3.7
165.07036	5.5
166.07788	5.1
167.08578	7.2
169.10152	19.9
170.07249	3.6
170.10878	7.8
171.08043	11.2
171.11702	34.5
173.06033	5.2
173.09607	18.3
173.13263	5.6
174.10344	3.1
175.07574	7.3
175.11215	3.6
177.09126	6.1
178.07799	3.0
179.08560	7.6
179.10675	5.8
180.09317	3.0
181.10106	9.5
182.07285	3.5
182.10918	4.4
183.08096	9.2
183.11688	20.7
184.08847	4.2
185.09622	11.1
185.13280	18.9
186.10417	3.5
187.07535	10.9
187.11188	9.3
187.14839	2.9
189.09151	7.2
189.12698	4.5
192.09332	4.4
193.10141	9.2
193.12097	2.5
194.10812	3.9
195.08044	6.2
195.10072	2.4
195.11646	14.2
196.08824	4.7
197.09610	10.3
197.13217	15.1
199.07538	2.9
199.11200	30.1
200.11906	3.3
201.09088	5.8
201.12695	6.9
203.08739	3.1
203.10609	2.9
204.09323	3.7
205.10191	5.4
206.10924	7.4
207.11745	11.7
208.12366	4.1
209.09543	8.0
209.13258	5.8
211.11118	11.6
213.09111	6.7
213.12735	28.7
215.10661	4.2
215.14391	4.1
216.09276	3.6
217.10301	5.5
217.12300	6.9
219.11664	7.5
220.12401	5.3
221.09619	5.9
221.13222	9.2
223.11244	6.9
223.14777	5.8
225.09091	5.1
225.12689	6.6
227.10637	8.4
227.14229	3.2
229.10136	4.4
229.12340	5.8
230.10971	5.7
231.11876	4.2
231.13795	11.9
232.12352	5.1
233.09628	6.2
233.13165	7.4
235.11206	7.6
235.14886	6.5
237.12675	4.1
239.10776	5.5
241.12195	2.8
242.10847	4.9
243.11754	4.4
243.13823	9.9
244.12468	6.8
245.09494	4.1
245.11464	5.8
245.13422	6.3
245.15495	4.6
246.14032	2.9
247.11122	7.2
247.14821	7.8
249.09047	2.9
249.12776	7.8
249.16408	2.6
250.09729	3.3
251.14256	5.7
255.11719	6.7
256.12344	4.9
257.13379	6.0
258.13928	3.5
259.10959	4.2
259.13010	4.3
260.11896	4.6
260.15631	3.4
261.12711	10.2
261.16580	6.4
263.14261	5.5
264.14752	2.8
268.12399	4.9
269.13235	3.4
270.13776	4.3
271.11252	4.5
271.14853	6.4
272.15494	3.0
273.12589	4.3
273.16217	4.5
275.14304	6.4
275.17926	4.6
277.11935	3.5
277.15924	2.9
279.13922	3.9
283.14871	5.9
284.12048	2.8
284.15494	6.3
285.12833	3.8
285.16248	5.4
286.13348	5.4
287.14276	6.8
287.17712	3.1
288.15231	3.2
289.12393	5.1
289.15878	8.2
291.13617	4.0
297.12674	6.2
299.14499	5.4
299.17719	4.5
300.15051	5.2
301.15787	8.8
303.13977	4.0
303.17410	6.4
309.15182	3.0
311.14301	4.0
313.12091	4.0
313.15671	7.0
313.19266	3.7
315.13724	4.6
315.17377	7.6
317.15176	4.2
317.18890	5.8
319.16867	3.1
321.18478	4.4
326.16687	4.9
327.13919	3.0
327.17459	7.9
329.15305	6.6
329.19058	3.6
331.16913	4.5
333.18576	2.7
341.19046	7.8
343.16888	7.1
345.18512	10.8
347.16492	6.1
349.17746	2.8
349.21625	4.0
355.17026	2.8
357.18475	11.2
359.16440	4.1
359.20062	17.8
361.18005	6.1
363.19565	6.2
369.18497	21.0
372.17123	3.7
373.17868	9.3
375.19446	8.2
377.21130	13.5
387.19589	51.4
391.18994	4.5
395.21951	4.9
401.17453	10.2
405.20630	65.7
419.18393	9.3
423.21600	28.8
437.19528	6.6
447.21738	5.8
465.22775	26.6
483.23837	19.6
565.28046	16.2
583.29364	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	583.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68968	2.9
53.03947	6.4
55.01886	20.1
55.05527	4.4
64.66704	3.1
67.05524	5.4
69.03439	38.9
69.07074	5.6
69.23272	33.8
69.23609	5.6
79.05491	6.1
81.03423	12.7
81.07079	7.4
83.04985	3.7
88.69241	3.6
91.05498	42.7
93.07070	4.3
95.04967	19.4
95.08611	6.6
97.06541	4.1
98.21547	5.7
103.05488	16.5
105.07030	22.5
107.04968	6.2
107.08592	9.5
109.06544	10.1
109.10188	3.4
113.64611	3.4
115.05481	11.7
115.93303	3.5
117.07034	21.9
119.08587	37.9
121.06487	5.4
128.06244	7.4
129.07037	23.0
131.04936	43.8
131.08597	34.8
133.10147	26.3
135.08055	6.1
137.09671	4.3
141.07051	8.9
142.07793	10.7
143.08597	25.5
145.06496	19.8
145.10185	17.1
147.08072	100.0
149.09639	10.8
155.08598	12.0
156.09352	14.7
157.10144	38.9
159.08076	73.0
159.11716	9.3
161.09634	58.0
163.07541	5.9
163.11209	5.5
169.10149	14.0
170.10950	11.3
171.08067	19.1
171.11685	51.8
173.06012	7.4
173.09657	21.0
173.13269	4.4
175.07555	9.4
175.11308	6.8
179.10728	9.4
180.09309	4.7
181.10175	12.6
183.11714	23.9
184.08801	4.6
185.09662	20.6
185.13272	47.7
187.11214	18.0
193.10176	5.5
195.08090	6.2
195.11742	13.8
197.09753	10.4
197.13235	11.6
198.10435	5.9
199.11201	34.9
201.09123	5.6
201.12759	7.8
205.10294	4.0
205.12248	5.4
207.11790	8.6
209.09691	6.1
209.13374	3.7
211.11176	8.1
213.09312	5.3
213.12758	60.6
215.10802	7.6
217.12347	6.8
218.10956	5.4
220.12476	5.1
221.13269	7.3
223.11166	11.7
225.09193	4.5
227.10706	5.1
229.12270	9.6
231.10139	6.4
231.13895	12.2
235.11235	4.0
237.12741	7.4
239.10710	5.2
241.12279	9.7
243.10173	7.5
243.13930	6.3
245.11618	4.2
245.15417	30.1
247.15082	3.9
249.12732	5.0
255.13898	5.9
259.13358	15.9
263.14365	8.9
265.12286	3.9
271.10941	4.6
271.15204	4.1
273.15051	20.3
275.14230	7.3
277.12155	5.1
281.15433	5.6
285.12796	6.6
286.13733	4.5
287.14282	8.1
291.16098	24.0
297.12711	6.4
299.14435	8.8
301.15866	8.4
303.17444	7.5
307.13205	4.5
311.14188	5.9
313.15967	6.2
315.17429	11.0
317.15469	5.5
317.19064	13.7
323.16556	7.0
327.17462	21.0
329.15408	5.5
329.18958	8.8
341.18948	16.1
345.18579	14.1
354.16394	5.6
357.18454	7.8
359.20215	17.7
363.19678	4.0
369.18478	9.1
375.19562	6.6
377.21143	7.9
387.19656	33.1
389.21149	9.3
391.22778	16.2
401.21136	35.3
405.20505	18.8
419.22122	48.6
435.21671	4.7
437.23444	28.0
447.21472	4.6
461.23038	5.0
465.22739	13.9
479.24393	11.2
497.25171	14.0
551.26245	9.0
565.27655	12.7
583.29041	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	583.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	18.6
55.05511	6.3
57.55485	2.7
67.05503	9.1
69.03435	44.9
69.07053	4.1
70.29029	3.3
79.05488	7.0
81.03431	10.9
81.07059	7.4
83.04964	3.1
91.05479	33.3
93.07052	6.5
95.04971	10.3
95.08653	4.9
95.69079	2.7
97.06526	2.8
105.07051	25.7
106.62603	2.7
107.04943	5.8
107.08604	10.0
109.06538	9.9
109.10216	3.6
115.05469	13.3
116.06198	3.7
117.07030	20.5
119.04925	3.2
119.08599	38.8
121.06456	4.8
121.10149	3.8
123.08123	4.0
128.06252	10.8
129.07034	19.3
131.08617	18.4
133.06500	5.4
133.10124	26.7
135.08092	8.1
137.09637	3.9
139.09319	3.1
141.07002	5.0
142.07794	14.9
143.08551	25.0
145.06499	22.4
145.10139	23.6
147.08057	100.0
147.09236	5.1
147.11713	5.6
149.09633	7.2
153.07016	4.5
154.07780	4.5
155.08568	13.2
156.09354	13.6
157.10144	32.8
158.07285	3.5
159.08093	41.1
159.11725	9.9
161.06049	6.1
161.09627	58.5
163.07585	7.1
163.11308	3.9
165.07011	4.3
167.08618	4.3
168.09334	4.1
169.06453	4.2
169.08810	4.7
169.10091	17.0
170.10939	11.7
171.08070	19.1
171.11694	59.7
172.08833	4.4
173.05936	9.9
173.09610	29.6
173.13272	4.2
175.06024	3.2
175.07553	9.1
175.11269	6.5
179.08629	4.4
179.10696	9.3
181.10158	9.3
183.08043	8.1
183.11726	24.7
184.08900	7.5
185.09650	22.4
185.13264	49.5
187.07594	8.4
187.11166	17.3
189.09201	4.4
193.10069	4.5
195.11700	12.9
197.09612	10.2
197.13234	9.5
198.10393	8.7
199.11203	32.3
201.09167	6.2
201.12779	5.6
203.10840	3.6
205.12225	6.1
207.11732	4.8
209.09583	7.7
209.13226	4.0
211.11252	9.5
213.09395	4.6
213.12764	67.6
215.10680	8.4
217.12282	8.0
218.10898	3.9
219.11722	4.9
221.13310	5.0
223.11194	11.1
225.12823	9.0
227.10796	3.5
229.12241	8.7
230.24561	3.2
231.10052	4.6
231.13768	16.6
233.09444	4.0
233.13342	4.9
235.11176	3.4
237.12730	6.8
239.10728	6.8
241.12230	8.9
243.09944	6.8
243.13837	9.8
244.12549	4.0
245.15337	29.3
246.13980	4.3
247.11153	4.7
248.11990	3.9
249.12729	5.3
253.12256	3.8
255.13841	7.9
256.12387	3.4
257.13269	7.1
259.13116	21.2
261.12747	6.1
263.14191	4.7
269.13242	7.6
270.13828	4.1
272.12061	3.4
273.12421	4.4
273.14996	19.8
274.13480	5.4
275.14316	4.7
277.12201	4.9
281.15567	5.1
284.15646	5.2
285.12552	3.8
287.14288	6.9
288.15070	3.4
289.11957	4.1
291.16071	22.1
297.12839	8.6
299.14484	8.2
299.18237	5.3
301.15848	9.4
303.13806	3.6
303.17331	3.7
311.14267	8.3
312.15143	9.4
313.15887	5.7
315.17447	4.8
317.15720	3.5
317.19006	13.9
323.16559	5.4
326.16553	3.5
327.17441	23.3
329.15402	5.7
329.18982	7.5
331.20599	5.8
341.19104	17.9
345.18460	16.5
357.18668	6.1
359.20142	20.4
369.18457	15.7
375.19537	5.2
387.19638	30.2
389.21375	8.7
391.22791	7.4
401.21237	32.7
405.20563	22.3
407.22397	6.1
419.22208	46.3
437.23209	26.5
461.23373	6.5
465.22864	20.5
479.24026	12.0
497.25323	13.5
505.25568	5.5
551.26556	7.0
565.27838	7.4
583.27393	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	583.2899
Annotation	Euphoscopin B
Peak:m/z	Relative Intensity
53.03951	1.9
53.80779	1.5
55.01875	11.3
55.05512	48.1
59.82072	1.4
67.05482	3.4
69.03440	3.9
69.07053	7.2
71.05001	2.5
79.05489	7.0
81.03417	8.7
81.07051	5.5
83.04980	100.0
91.05475	18.5
93.07034	8.7
95.04952	10.4
95.08591	4.8
96.86632	1.8
97.06522	4.7
103.05441	2.2
105.07024	18.2
107.04958	4.9
107.08631	10.2
109.06528	10.3
109.10129	3.0
115.05417	8.7
116.06247	2.1
117.07007	21.1
119.08575	27.6
121.06528	3.8
121.10126	4.0
127.03967	1.9
128.06224	5.8
129.07004	15.9
130.07718	2.2
131.04933	2.2
131.08556	18.0
133.06477	5.4
133.10135	20.5
135.08073	7.0
137.09666	3.7
141.06978	4.6
142.07748	7.1
143.08568	15.8
145.06464	22.0
145.10100	12.8
146.07158	2.1
147.08049	86.5
147.11758	2.1
149.09616	5.5
151.07573	1.8
151.11182	1.6
153.05434	1.9
153.07091	2.1
153.09109	1.8
155.05908	2.4
155.08534	6.6
156.09364	8.8
157.06461	2.6
157.10144	28.3
159.08052	34.0
159.11708	8.8
161.05980	2.7
161.09618	47.5
161.13229	2.1
163.07561	15.7
165.07068	3.1
165.09106	5.6
167.08533	3.5
169.10120	8.6
170.10863	4.8
171.08032	12.2
171.11691	48.0
172.08902	1.9
173.06036	8.8
173.09631	25.3
173.13177	4.4
175.07549	16.0
175.11145	4.8
177.09096	4.2
179.08554	3.2
179.10655	6.9
180.09476	1.9
181.10109	5.1
183.08038	3.6
183.11659	19.2
185.09602	17.2
185.13258	30.2
187.07547	7.5
187.11153	9.7
189.09109	5.7
189.12779	3.7
191.10620	4.2
193.10170	2.2
195.11684	7.8
197.09583	9.3
197.13264	5.2
198.10426	2.7
199.07513	1.9
199.11179	30.5
200.11937	3.4
201.09129	7.3
201.12796	5.3
203.10663	5.4
203.14276	5.1
207.11690	5.8
209.09605	5.4
209.13283	4.2
211.11194	7.0
213.09184	2.1
213.12737	33.8
215.10651	6.7
217.08511	7.9
217.12225	7.5
219.10077	4.7
219.11873	3.8
219.13626	2.3
221.09628	3.3
221.13281	5.0
223.11159	7.7
225.12845	3.7
227.10661	6.6
229.12184	10.1
230.10846	2.7
231.10057	2.7
231.11864	2.6
231.13794	38.3
233.09550	2.8
233.11526	2.2
233.13464	2.3
235.11098	2.8
235.14813	3.7
237.12723	4.8
237.16380	2.3
239.10701	4.6
241.12268	13.4
243.11705	2.9
243.13901	3.7
244.12442	2.6
245.11461	14.9
246.10353	2.2
247.11011	3.1
247.15067	2.3
249.12625	3.9
249.14886	5.5
251.14386	3.9
253.12241	1.9
257.11606	3.1
258.14264	3.4
259.11014	2.2
259.13187	27.0
261.12781	6.4
263.14398	4.1
271.14828	3.0
272.12067	2.1
273.12540	4.1
274.13538	2.7
275.14426	3.7
276.15097	2.3
277.11923	1.7
277.14417	25.6
279.13657	3.7
284.15512	1.9
285.12695	4.6
286.13419	3.3
287.14340	6.8
288.15152	2.3
289.12244	2.2
291.13809	2.6
295.17007	4.0
297.12473	2.3
298.13525	3.6
299.14285	3.3
300.15027	2.4
301.15793	4.9
309.14926	4.8
311.14117	2.9
312.15027	4.4
313.15817	5.7
315.13806	2.9
315.17413	6.5
317.18982	6.6
319.13367	2.3
319.16925	2.9
327.14001	2.2
327.17551	11.8
328.18152	3.0
329.15286	6.5
329.18906	3.8
331.20422	3.3
335.16513	2.4
340.14948	1.9
341.18918	5.6
345.18500	8.7
347.16440	2.8
357.18478	4.8
359.20032	12.1
361.17999	3.0
363.19547	4.2
369.18314	7.9
372.17252	2.8
375.19687	10.7
377.21127	14.6
387.19550	50.5
393.20605	5.6
395.22223	2.6
405.20587	72.1
423.21655	41.1
447.21515	6.5
465.22720	26.6
483.23767	22.5
547.26508	2.4
558.87054	1.8
565.28101	15.6
583.28522	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	583.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36289	3.3
51.87552	3.3
55.01880	26.1
55.05499	8.0
67.05518	7.6
69.03436	47.7
69.07074	6.1
69.21014	10.2
69.21431	20.7
79.05491	9.6
81.03423	10.9
81.07062	9.7
83.05001	8.1
89.44658	3.3
91.05501	34.7
93.07050	10.6
95.04982	16.0
95.08600	4.8
105.07023	25.1
107.08609	13.6
109.06512	5.7
109.10223	3.6
115.05453	14.0
117.07019	20.2
119.08596	37.7
121.06526	6.1
121.10126	3.9
128.06250	10.6
129.07027	26.1
130.07883	3.8
131.08589	26.1
133.06552	5.1
133.10155	28.5
135.08151	3.9
141.06964	6.2
142.07777	14.9
143.08533	28.7
144.05708	4.4
145.06505	25.3
145.10165	20.8
146.07338	3.8
147.08057	100.0
147.09232	5.7
149.09634	9.1
155.08574	11.6
156.09352	17.6
157.06544	6.4
157.10165	35.0
158.07243	4.1
159.08069	43.9
159.11703	7.7
161.06006	4.2
161.09645	65.5
163.03891	3.4
163.07527	11.4
163.11185	4.5
165.07037	7.1
165.09181	4.4
168.09438	5.0
169.10124	14.9
170.10957	12.6
171.08029	18.5
171.11694	57.2
173.06000	7.7
173.09669	25.6
173.13303	6.8
175.07571	6.5
175.11279	4.1
179.08557	4.1
179.10707	10.1
181.10106	8.0
183.08125	7.2
183.11687	19.0
184.08911	4.5
185.09610	24.3
185.13261	43.6
187.07602	6.3
187.11197	12.7
189.09152	5.5
189.12817	4.2
191.10745	4.1
193.10194	5.4
194.10948	3.5
195.11699	9.4
197.09641	11.5
197.13300	13.8
198.10416	5.0
199.11203	36.7
200.11951	4.4
201.09091	4.3
201.12766	8.5
203.08727	3.5
207.11700	8.2
208.08859	4.1
209.09760	6.0
211.11252	10.8
213.09207	5.3
213.12761	63.1
215.10672	11.0
217.12274	8.1
221.09636	6.1
221.13423	5.1
223.11197	6.9
229.10258	4.2
229.12437	5.1
231.10014	7.5
231.13864	15.1
233.13470	4.0
235.11121	8.0
235.14853	4.3
237.12759	5.9
239.10635	7.7
241.10100	3.9
241.12297	13.0
243.10051	8.3
243.13826	9.3
244.12563	5.1
245.13277	4.9
245.15369	33.7
247.11110	5.2
247.13293	5.0
249.12735	7.9
251.14337	5.4
255.13760	8.7
259.10907	5.3
259.13165	32.6
261.12726	7.5
263.14267	5.7
269.13068	4.0
270.14059	5.3
271.11212	6.3
271.14719	3.9
273.12521	3.7
273.14886	26.4
275.14313	7.0
285.12650	6.1
287.14230	6.3
291.16043	29.4
297.12714	8.2
299.14282	6.4
301.15881	7.4
303.17267	4.7
311.14395	7.7
312.14975	9.8
313.15790	6.9
315.17468	10.3
317.19012	8.0
323.16306	7.7
326.16580	7.0
327.13824	5.9
327.17325	30.2
329.15427	6.6
329.18979	6.7
334.35651	4.0
339.17651	3.6
341.19095	19.6
343.16791	3.4
345.14880	4.0
345.18274	17.6
354.15863	4.6
357.18457	8.0
359.20285	16.2
361.17950	5.5
369.18509	12.2
375.19370	4.7
377.21204	6.1
387.19617	34.1
389.21158	6.3
391.22638	10.1
395.22745	3.7
401.21222	34.7
405.20544	25.9
419.22195	48.0
428.09824	4.0
437.23477	33.6
447.21680	5.4
465.22949	16.4
479.24261	13.8
497.25342	13.5
551.26276	6.9
565.27551	10.7
583.29242	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	583.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01866	15.8
55.05511	62.8
55.56630	2.5
57.29792	2.7
61.95305	2.3
67.05502	7.6
69.03422	6.3
69.07065	7.4
73.35734	2.4
74.69774	2.7
76.46822	3.1
79.05486	10.9
81.03410	8.6
81.07058	7.6
82.73476	2.4
83.04987	100.0
91.05479	29.7
93.07039	8.2
95.04980	15.2
95.08621	7.5
95.66133	2.9
97.06541	6.6
102.93970	2.3
103.05460	3.3
105.07038	23.2
107.04958	4.1
107.08594	11.2
109.06507	7.9
109.10161	5.6
115.05465	12.5
117.07043	24.1
119.08598	32.2
121.06505	3.6
121.10088	5.7
128.06230	9.8
129.07047	16.6
130.07849	5.7
131.04976	2.8
131.08592	21.9
133.06516	5.8
133.10139	19.0
133.26544	2.7
135.08018	7.4
137.09622	3.9
141.07004	4.1
142.07805	12.3
143.08575	18.1
145.06476	20.4
145.10112	18.9
147.08060	72.9
147.11749	3.7
149.09618	6.0
155.08533	9.8
156.09407	17.5
157.10139	34.9
158.07251	3.6
159.08095	28.7
159.11713	9.9
161.05974	3.6
161.09637	48.0
163.07520	12.2
165.06926	4.8
168.09340	3.5
169.08868	2.8
169.10107	15.0
170.10931	9.1
171.07991	16.4
171.11703	44.7
173.06042	8.9
173.09613	19.3
173.13304	4.1
175.07576	8.8
175.11177	4.1
179.08629	3.0
179.10645	8.3
181.10091	6.6
183.07977	4.0
183.11699	20.8
185.09677	17.1
185.13261	28.0
187.07539	8.3
187.11206	10.1
189.12776	3.2
191.10718	4.2
193.10176	5.3
195.11674	8.7
197.09641	7.8
197.13295	8.5
198.10429	5.1
199.11166	20.6
200.11967	6.5
201.09125	6.8
201.12730	5.7
207.11627	5.8
209.09727	3.3
211.11205	5.3
213.09244	2.7
213.12738	28.8
215.10645	6.0
215.14337	3.0
217.08549	7.8
217.10429	3.0
217.12273	7.9
218.10860	2.7
219.11824	5.2
221.13254	4.5
223.11215	6.0
223.14941	3.6
225.12698	6.8
227.10875	3.8
229.10199	3.8
229.12263	6.9
230.10880	5.0
231.13780	31.4
235.11179	4.6
235.14885	3.3
237.12820	4.3
239.10736	4.4
241.12289	14.0
243.11810	4.4
245.11568	19.1
247.11180	6.5
249.12666	3.6
249.14894	4.1
255.11717	3.1
256.12592	3.9
258.10757	3.8
259.11035	3.4
259.13232	22.5
260.12061	3.1
261.12756	3.5
263.14020	3.1
271.11160	4.1
271.14792	4.2
272.12115	4.8
272.80222	3.0
273.12637	5.9
277.14297	23.3
283.14609	3.0
284.15488	4.1
285.12717	5.6
285.16324	3.1
286.13629	3.5
287.14200	9.1
297.12473	5.1
299.14099	6.7
299.17557	3.4
301.15881	7.6
302.16562	3.1
303.13907	3.8
303.17471	3.2
309.14926	4.7
311.14362	6.2
312.15024	4.9
313.15808	6.6
315.17184	3.3
317.18948	5.6
326.16498	2.8
327.17389	9.4
328.18185	4.7
329.15372	4.9
341.18707	5.4
345.18475	12.1
347.16220	4.1
357.18454	4.3
359.20029	6.3
363.19669	5.0
369.18619	6.5
375.19540	10.3
377.21024	11.3
387.19653	36.0
393.20721	4.5
405.20624	63.4
423.21677	32.9
447.21506	8.1
465.22852	19.9
483.23880	16.1
565.27863	9.9
582.82697	3.1
583.28754	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	582.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	17.9
57.03441	13.7
57.03675	2.6
57.07071	4.4
60.75690	2.7
67.05506	36.7
69.03427	4.3
69.07075	16.5
71.08620	3.5
79.05498	21.4
81.02972	4.5
81.03417	42.9
81.07055	44.2
83.05009	14.0
83.08622	22.4
85.02907	10.0
85.06524	3.6
89.06036	3.4
91.05484	25.7
93.07038	20.9
95.04977	14.6
95.08623	34.1
97.06530	3.7
97.10163	9.3
105.07030	22.5
107.08598	13.7
109.06536	4.2
109.10142	11.4
111.08096	9.2
117.07016	3.8
119.08591	20.8
120.29734	2.7
121.10165	9.2
123.08120	3.8
123.11730	6.8
123.57296	2.9
127.99723	2.7
129.06993	9.2
131.08574	12.0
133.06439	2.9
133.10138	12.3
135.08000	2.6
135.11693	5.4
137.09648	5.8
137.64253	3.0
143.08540	5.6
145.10101	5.3
147.07959	4.6
147.11693	10.9
149.09613	6.1
157.10132	16.6
159.08034	3.0
159.11662	3.7
165.12778	2.9
169.10110	3.4
171.11748	4.1
175.11214	14.1
183.11757	4.1
188.61357	3.0
193.12207	26.1
195.11662	3.4
202.59555	2.9
211.13278	51.1
263.23587	3.1
267.15952	11.2
283.26389	4.2
285.16995	39.9
291.27286	2.8
309.97729	3.5
337.27356	54.4
405.26007	3.4
467.90833	3.7
517.39783	3.8
529.38983	8.8
547.39990	100.0
582.40857	38.6
583.40906	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	583.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
54.33938	0.5
55.01870	7.5
55.05513	5.3
57.03414	2.4
65.03918	1.6
67.05510	5.9
69.03435	4.2
69.07058	0.8
69.18332	2.7
69.18756	3.0
71.04990	0.6
79.05059	0.8
79.05490	12.2
81.02986	0.6
81.03422	7.7
81.07056	3.9
83.01327	1.4
83.04560	0.6
83.04981	8.2
83.31647	0.5
85.02889	2.2
91.05480	17.2
93.03382	0.8
93.07049	6.8
95.01326	2.7
95.04970	15.4
95.08616	3.1
97.02872	1.9
97.06493	1.0
103.03938	0.7
103.05474	6.3
105.03377	1.8
105.04510	0.9
105.07028	31.7
107.02912	0.5
107.04942	5.9
107.08595	3.1
109.02875	1.4
109.06515	5.1
111.04435	1.7
115.05451	9.8
116.06239	1.5
117.07014	11.7
117.17608	0.5
119.04969	4.9
119.08591	8.1
121.02872	2.6
121.06497	8.0
121.10104	1.5
123.04428	3.1
123.08040	2.3
125.05962	2.6
128.06215	10.5
129.07002	15.1
130.07777	1.4
131.04909	4.6
131.08563	10.9
132.05684	0.7
133.06491	26.5
133.10120	3.4
133.10951	0.6
135.04448	2.9
135.08044	5.8
137.05978	6.1
139.03870	1.8
141.06972	10.6
142.07770	9.0
143.04907	1.4
143.08556	15.0
144.05675	1.4
144.09323	1.2
145.02829	1.0
145.05399	1.0
145.06487	15.3
145.10124	3.9
146.07230	0.9
147.04384	2.2
147.08041	7.9
147.11649	0.8
149.05971	6.3
149.09628	1.6
151.03914	0.7
151.07552	3.5
152.06181	2.4
153.05470	2.3
153.06978	5.5
154.07765	7.5
155.04922	1.1
155.06027	1.1
155.08548	9.0
156.05708	0.8
156.09334	10.0
156.93831	0.6
157.06487	6.9
157.10123	14.3
158.07256	4.5
158.10747	0.6
159.04398	1.1
159.08047	13.2
159.11676	4.0
160.08707	1.4
161.05980	39.0
161.09613	5.0
162.06743	1.7
163.07533	9.7
165.05550	1.2
165.06978	6.4
165.08984	0.6
166.07773	4.1
167.08562	7.0
168.05765	0.9
168.09300	1.7
169.06485	11.6
169.08725	1.0
169.10121	15.4
170.07298	3.1
170.10909	2.5
171.04437	1.2
171.08054	14.2
171.11681	9.7
172.08826	2.9
173.05965	5.8
173.09624	6.8
173.13237	0.9
175.03970	0.9
175.07594	5.4
175.11203	1.0
177.05458	1.8
177.09140	2.8
178.07770	3.7
179.07004	6.7
179.08549	8.2
180.09274	2.3
180.95203	0.6
181.04987	1.2
181.06493	3.5
181.10132	6.8
182.07288	8.3
182.10966	0.8
183.08057	15.7
183.11670	3.6
184.08832	10.5
185.06021	4.2
185.09624	14.6
185.13174	3.3
186.06796	0.7
186.10410	1.4
187.03955	1.3
187.07558	8.0
187.11128	4.6
188.08249	0.9
189.05426	2.3
189.07097	0.6
189.09102	4.7
189.12677	0.8
190.07780	1.4
191.07014	0.8
191.08568	2.1
192.09311	2.6
193.10117	4.5
194.07289	1.1
194.10892	1.5
195.06470	1.0
195.08060	6.9
195.11632	2.8
196.08839	3.8
197.05971	4.6
197.07730	1.3
197.09618	27.0
197.13275	0.8
198.06714	1.3
198.10414	8.8
199.07541	10.0
199.11176	50.2
200.08327	1.5
200.11858	1.0
201.05434	1.7
201.09103	4.3
201.12712	1.2
202.07838	1.6
203.06926	3.5
203.08594	1.9
203.10477	0.9
204.09331	1.7
205.08546	3.8
205.10193	2.1
206.07414	0.8
206.10918	1.2
207.08092	5.9
207.11752	3.4
208.08818	2.7
208.12367	0.6
209.05998	1.8
209.09625	7.9
209.13213	1.3
210.06721	1.6
210.10332	0.8
211.07530	6.2
211.11098	4.4
212.08287	1.5
213.05531	1.6
213.09084	16.2
213.12727	2.4
214.09877	2.6
215.06973	2.7
215.08751	0.9
215.10640	8.6
216.09447	1.3
216.11400	1.2
217.08411	4.9
217.10210	1.8
217.12137	1.4
218.10921	1.2
219.08086	2.1
219.09924	1.0
219.11945	2.6
219.13554	0.8
220.08911	1.0
220.12387	1.1
221.09695	3.3
221.13310	1.8
221.87944	0.6
222.10387	1.2
223.07597	5.9
223.11111	5.3
224.08328	1.8
224.12025	0.7
225.05470	2.6
225.09099	100.0
226.09761	1.5
227.06989	3.0
227.10654	6.2
228.09312	1.2
229.08199	2.7
229.10210	2.2
229.12216	2.0
230.10941	0.9
231.06366	1.1
231.09966	1.2
231.11703	2.4
231.13724	1.0
232.08829	1.6
232.12509	1.5
233.07739	1.1
233.09575	3.0
233.13232	2.0
234.10297	1.7
235.07614	4.1
235.11281	3.7
236.08409	1.0
236.11949	0.8
237.05537	0.9
237.09117	5.3
237.12723	2.6
238.09753	0.8
239.06943	1.9
239.10704	3.8
241.08556	20.9
241.12280	1.3
242.11026	1.3
243.06372	1.2
243.09840	7.2
244.12526	1.4
245.07735	4.8
245.13272	1.8
246.10400	2.2
246.14018	1.0
247.09317	1.1
247.11252	2.0
247.14781	1.7
248.08286	0.6
248.11981	1.7
249.09085	2.1
249.12741	1.8
250.09843	1.1
251.07024	2.0
251.10649	3.5
251.14240	0.9
253.08252	4.2
253.12263	1.4
254.10979	1.0
255.10191	3.6
255.12064	1.3
256.12500	1.6
257.08099	8.8
257.11752	9.1
258.10669	0.7
258.13986	1.6
259.09702	4.1
259.11554	1.0
259.13678	0.9
259.15073	0.6
260.12018	1.5
261.09177	3.1
261.12640	2.2
262.13672	0.7
263.10681	3.8
263.14340	1.4
265.08527	2.4
265.12436	1.0
265.15393	0.7
266.11035	0.9
267.09903	4.5
269.08054	1.9
269.11816	1.1
269.13580	0.9
270.10706	0.8
270.13983	1.1
271.09634	2.7
271.11453	1.7
271.14435	1.1
272.12164	1.1
272.15564	0.7
273.10876	3.2
274.09790	1.0
274.13358	1.1
274.27435	1.0
275.10504	1.1
275.14417	1.0
276.11514	0.9
277.08731	1.2
277.12085	1.2
279.10214	2.3
279.13818	0.9
281.12000	1.0
282.10352	1.3
283.09686	2.0
283.11426	1.6
284.11923	1.7
285.11142	30.4
286.13437	1.2
287.10605	2.2
287.14224	3.0
287.17792	1.2
288.11420	1.0
289.08533	1.1
289.12173	2.6
289.15283	0.8
291.10193	1.6
291.13763	0.9
293.11880	0.9
296.11929	1.2
297.12445	2.1
298.10129	1.0
298.13593	2.0
299.10486	2.4
299.14185	1.9
300.11703	1.0
300.14804	0.9
301.10922	5.6
301.15778	1.4
302.09537	0.7
302.12955	0.7
303.12503	4.2
303.17154	1.1
305.11920	1.0
305.15372	1.4
305.19003	1.5
307.09705	1.1
308.11554	0.6
309.11429	2.1
311.10477	1.8
311.14084	2.4
312.11374	1.1
312.15021	0.9
313.12149	2.8
313.15854	1.5
314.12875	1.7
315.10074	1.2
315.13687	3.4
316.14621	0.6
317.11575	1.8
317.15347	1.9
317.18921	1.0
319.12149	2.8
319.16879	1.0
323.13739	0.8
323.20248	1.0
325.12140	1.0
326.13123	1.6
327.13358	2.5
329.11282	1.2
329.15482	4.5
331.13235	1.8
331.16919	3.1
333.14874	1.8
335.12836	1.0
339.13629	3.1
341.11673	1.5
341.15298	5.0
342.12439	1.4
343.13336	3.5
344.13864	0.9
345.10974	0.8
345.14709	2.3
347.16458	1.8
349.18149	1.1
353.11639	1.3
355.13223	2.4
357.14850	5.6
359.12860	1.1
359.16400	3.3
361.14334	2.4
367.13278	3.4
369.14828	0.8
371.12747	1.9
373.14139	2.3
375.15762	3.8
377.13419	0.8
377.17355	5.0
379.15536	0.8
383.12732	1.4
385.14334	6.9
387.14606	9.5
387.19427	1.1
389.13461	1.0
391.15375	2.6
393.16867	1.5
401.13678	3.7
403.14899	11.0
405.15942	2.9
405.20502	2.1
413.13803	3.0
415.15155	1.3
417.16940	1.9
419.14368	3.9
421.16528	5.4
423.22089	0.7
431.14975	4.8
433.16434	3.4
435.17993	2.4
439.17551	0.8
441.15182	0.7
445.16458	5.5
449.16025	5.2
451.17480	11.5
461.19553	0.8
463.17545	16.8
479.20642	4.2
481.18588	17.3
487.18152	0.8
495.19827	0.6
499.19763	0.8
505.18634	2.9
523.19470	2.5
529.18622	1.4
533.17786	2.2
537.21240	1.6
547.19409	4.0
551.19214	3.3
555.22229	1.3
565.20636	16.9
583.21710	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	17.9
57.03441	13.7
57.03675	2.6
57.07071	4.4
60.75690	2.7
67.05506	36.7
69.03427	4.3
69.07075	16.5
71.08620	3.5
79.05498	21.4
81.02972	4.5
81.03417	42.9
81.07055	44.2
83.05009	14.0
83.08622	22.4
85.02907	10.0
85.06524	3.6
89.06036	3.4
91.05484	25.7
93.07038	20.9
95.04977	14.6
95.08623	34.1
97.06530	3.7
97.10163	9.3
105.07030	22.5
107.08598	13.7
109.06536	4.2
109.10142	11.4
111.08096	9.2
117.07016	3.8
119.08591	20.8
120.29734	2.7
121.10165	9.2
123.08120	3.8
123.11730	6.8
123.57296	2.9
127.99723	2.7
129.06993	9.2
131.08574	12.0
133.06439	2.9
133.10138	12.3
135.08000	2.6
135.11693	5.4
137.09648	5.8
137.64253	3.0
143.08540	5.6
145.10101	5.3
147.07959	4.6
147.11693	10.9
149.09613	6.1
157.10132	16.6
159.08034	3.0
159.11662	3.7
165.12778	2.9
169.10110	3.4
171.11748	4.1
175.11214	14.1
183.11757	4.1
188.61357	3.0
193.12207	26.1
195.11662	3.4
202.59555	2.9
211.13278	51.1
263.23587	3.1
267.15952	11.2
283.26389	4.2
285.16995	39.9
291.27286	2.8
309.97729	3.5
337.27356	54.4
405.26007	3.4
467.90833	3.7
517.39783	3.8
529.38983	8.8
547.39990	100.0
582.40857	38.6
583.40906	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	582.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.05518	16.1
57.03429	6.9
57.07062	2.9
59.05003	2.5
59.85061	1.5
62.91249	1.5
65.03931	3.3
67.05508	88.6
67.05878	4.2
69.03436	3.2
69.07071	13.4
71.05000	21.1
79.05495	33.0
79.05953	2.0
80.05841	1.9
81.03409	4.8
81.07055	44.4
83.04984	4.4
83.08614	9.6
84.21035	1.8
85.06532	4.2
91.05483	26.8
93.07049	47.7
94.97214	1.7
95.04977	12.0
95.08051	2.9
95.08611	33.5
97.06525	4.5
97.10178	2.0
105.04515	1.5
105.07028	23.4
107.08589	23.8
107.83612	1.6
109.06513	4.6
109.10165	50.5
109.88233	1.6
111.08104	3.7
117.07047	8.5
119.08588	28.6
121.06533	2.1
121.10156	24.5
123.08103	4.4
123.11742	3.4
125.09631	1.7
128.06242	3.0
129.07042	3.7
131.08568	14.0
133.06570	2.2
133.10144	10.9
135.08015	2.8
135.11722	12.7
137.09631	7.3
141.06961	2.9
142.07823	3.1
143.08632	10.6
144.09328	2.6
145.10132	23.8
146.07231	2.4
147.08060	4.1
147.11742	5.5
149.09628	2.6
155.08589	5.5
155.10738	2.9
156.09354	1.8
157.10135	10.5
158.10828	1.7
159.07999	3.3
159.11690	7.1
161.09578	2.8
161.13290	2.3
163.11261	4.6
167.10680	12.5
169.10138	7.6
171.11725	8.1
173.09781	1.7
173.11754	6.8
173.13292	5.2
179.08578	3.5
181.10133	3.5
181.12160	2.3
182.10924	3.9
183.11740	6.1
185.13246	2.8
187.13228	2.0
187.14732	1.9
189.12704	2.1
191.14290	2.1
193.10297	2.7
193.12201	2.2
194.10880	2.3
195.11717	5.9
196.12483	2.3
197.09552	2.5
197.13356	3.9
207.11713	3.0
209.13278	4.0
211.13179	3.0
211.14978	2.9
220.14613	2.1
221.13309	2.2
221.15475	2.4
223.14908	2.0
233.13315	2.4
233.15425	5.9
237.16388	1.6
243.16000	2.6
251.12520	2.1
255.15889	5.0
261.22180	2.7
269.13531	2.0
270.14035	2.2
271.15988	1.6
273.18567	4.4
285.16934	3.3
287.18451	17.8
298.19528	1.8
299.20218	3.5
310.19171	2.2
311.20163	2.5
335.20004	2.4
335.25818	31.1
337.21704	2.8
337.27377	5.8
351.23257	2.3
352.24014	23.0
363.23053	1.8
365.24728	2.1
381.13773	1.7
444.30203	8.8
471.34674	3.1
489.35797	94.5
490.34940	3.4
503.37357	2.9
515.37469	5.3
547.39966	47.7
564.39789	5.1
582.27271	3.4
582.40613	100.0
583.40985	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03943	3.0
53.76374	0.8
55.01871	2.5
55.05509	7.7
56.05043	6.0
57.03430	3.3
57.07074	1.7
60.04530	95.6
62.46310	0.7
65.03953	0.9
66.46874	0.8
67.05504	10.0
68.05020	1.1
69.03429	14.8
69.07088	6.0
69.07393	1.1
69.80831	1.5
69.81223	2.2
70.06592	2.5
71.04989	2.7
71.08615	0.8
72.04518	3.0
73.02895	2.2
74.06097	4.0
78.05184	1.0
79.05502	5.5
80.05032	1.3
81.03423	16.9
81.03869	1.7
81.07053	11.1
82.06600	1.9
83.04976	4.8
83.08629	4.7
84.04481	1.8
85.02457	0.8
85.02908	23.2
85.06535	0.9
86.06075	2.0
87.00831	7.2
90.05541	1.4
91.05467	5.3
91.51439	0.8
93.07046	7.1
95.04969	4.0
95.08601	6.6
96.08189	1.4
97.02899	8.4
97.06538	2.2
97.10200	2.3
98.06043	1.1
99.04443	4.8
100.07636	2.9
100.11271	1.0
102.05563	1.9
103.03969	1.7
104.07105	1.8
105.01886	3.9
105.07029	4.2
107.04981	1.3
107.08608	5.5
109.02880	13.0
109.06563	2.0
109.10142	4.9
111.04473	1.2
117.01860	0.9
117.07108	1.4
119.08597	3.4
121.10181	4.0
123.08061	1.5
123.11715	0.9
125.09687	1.0
127.03923	15.5
128.04315	1.0
128.07130	1.3
129.01849	2.1
129.07033	1.0
131.08582	1.7
133.06514	1.2
133.10133	3.5
135.11699	1.6
137.05989	1.2
137.09598	1.1
143.08607	1.5
145.05005	2.9
145.10211	1.2
146.08118	5.6
147.11691	1.5
149.09631	1.5
157.10098	1.7
159.02911	3.1
161.09641	1.7
167.07059	2.1
169.10196	1.0
171.08081	1.3
171.11743	1.0
172.12053	1.1
173.09636	0.9
183.11681	1.4
185.13264	1.4
193.10355	1.0
197.13219	0.9
198.05098	0.9
211.11259	0.9
231.05017	1.5
250.25343	1.6
262.25363	4.1
266.12592	1.2
267.16019	2.6
268.26480	1.2
280.26346	11.8
298.27380	10.9
301.16840	0.9
310.11349	1.8
316.23096	1.0
316.28439	23.4
334.29523	64.1
362.18484	1.0
376.30609	3.5
424.22131	1.0
475.26895	1.9
493.28259	2.2
496.34973	2.3
520.34442	1.6
538.35779	6.5
564.34296	4.9
582.34882	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11228	0.9
53.03935	3.7
54.56076	1.1
55.01859	5.7
55.05512	60.8
57.03416	1.6
60.04506	1.4
65.03932	1.7
67.05511	4.8
68.99745	0.9
69.03429	5.7
69.07062	3.1
70.47078	1.3
70.47405	2.6
71.04998	1.5
79.05494	8.5
79.69234	0.9
81.03413	5.6
81.07046	5.2
83.04981	100.0
83.08643	1.0
85.02904	1.8
85.06558	1.5
91.05488	16.4
93.07046	9.2
95.01308	1.6
95.04958	11.5
95.08600	5.4
97.02888	2.0
97.06529	2.4
103.05463	3.1
105.03398	1.9
105.07027	24.3
107.04971	4.2
107.08606	6.2
109.06516	4.6
109.10156	3.0
115.05449	9.7
116.06246	1.9
117.07011	11.4
119.04945	2.9
119.08588	14.2
121.06516	5.6
121.07249	1.0
121.10127	3.6
123.04430	0.9
123.08072	2.1
123.11729	1.0
125.06046	1.3
127.03875	1.1
128.06209	6.4
129.06985	8.7
131.04967	1.4
131.08582	10.4
133.06508	16.9
133.10135	10.5
135.04364	2.9
135.08043	8.7
135.11690	1.3
137.05951	2.3
137.09525	1.1
141.06943	4.2
142.07759	5.3
143.04985	1.3
143.08562	10.9
144.09329	1.2
145.06488	15.8
145.10130	7.1
146.07286	1.4
147.04422	1.7
147.08064	6.9
147.11688	2.4
149.05949	1.4
149.09653	2.6
151.07532	2.2
152.06186	2.5
153.06955	2.8
154.07729	1.9
155.06084	1.1
155.08563	5.6
156.09315	6.0
157.06512	3.8
157.10129	12.4
158.07303	1.8
159.08029	9.9
159.11700	5.5
160.08679	1.3
161.04636	1.6
161.05977	26.9
161.09599	5.6
162.06694	1.3
163.07542	10.6
165.06969	7.9
165.09103	2.5
166.07794	3.5
167.07158	1.8
167.08545	6.1
169.06459	4.1
169.10091	9.8
170.07277	2.1
170.10912	4.5
171.04460	1.3
171.08029	8.6
171.11696	14.0
172.08818	2.5
173.05988	5.5
173.09619	7.5
175.07571	3.3
175.11174	2.5
177.09109	4.7
178.07782	2.5
179.07082	2.6
179.08542	7.7
179.10046	1.2
179.10529	1.0
180.09352	2.3
181.06483	2.7
181.10081	5.0
182.07295	2.4
182.10847	1.4
183.08078	6.3
183.11694	12.1
184.08856	3.8
185.05975	2.4
185.09612	13.0
185.13167	5.4
187.07581	6.1
187.11203	3.8
189.05481	3.8
189.09105	3.7
189.12898	1.4
190.07762	1.5
191.06958	1.3
191.08571	1.4
191.10712	1.4
192.09348	1.5
193.08597	1.6
193.10141	4.4
195.08034	7.7
195.11688	4.2
196.08862	2.1
197.05901	2.0
197.09607	12.6
197.13321	2.1
198.06676	1.1
198.10403	1.7
199.07600	5.6
199.11183	12.2
200.12070	1.1
201.09058	5.4
201.12575	1.4
203.07008	3.6
203.08701	1.7
203.10600	1.9
204.09390	1.5
205.08510	1.8
205.10240	1.6
206.10912	1.8
207.08093	7.8
207.11623	3.6
208.08809	4.5
209.06154	2.2
209.09647	8.9
209.13290	1.3
210.10374	1.6
211.07532	4.6
211.11200	3.5
212.08359	1.7
213.05663	2.3
213.09134	10.5
213.12724	11.5
214.09892	1.1
215.06915	2.5
215.08769	2.0
215.10657	4.5
215.14323	1.8
217.08365	5.2
217.10332	2.3
217.12227	2.7
218.10916	1.7
219.08116	2.2
219.09926	1.4
219.11787	2.3
220.12469	1.4
221.09631	3.3
221.13361	2.0
222.10339	1.6
223.07710	6.2
223.11185	8.5
223.14832	1.7
224.08282	3.9
225.05580	1.4
225.09090	19.1
225.12581	2.0
226.09846	1.1
227.06999	3.4
227.10641	7.5
229.08357	1.6
229.10258	2.3
229.12270	2.9
231.06480	3.2
231.11681	3.6
231.13808	4.5
232.12498	2.5
233.09660	2.1
233.13332	2.5
235.07523	7.0
235.11212	3.6
235.14812	1.6
236.08241	1.1
237.09137	4.8
237.12755	2.0
239.10684	4.1
241.08487	10.5
241.12259	3.0
242.10889	2.1
243.06400	1.4
243.09938	6.6
243.13760	1.5
244.12538	1.6
245.08049	3.0
245.13440	2.0
246.10419	2.9
246.13896	1.3
247.11205	1.8
247.14915	1.7
248.11789	1.7
249.12675	2.1
251.06970	6.4
251.10599	3.0
251.14339	2.4
253.08574	3.4
255.10114	4.7
256.12518	1.0
257.08044	10.6
257.11414	1.3
258.14117	1.6
259.09363	4.9
259.13354	4.0
261.09052	1.6
261.12756	3.4
263.10587	2.5
263.14389	1.7
265.08432	2.3
267.10007	9.7
269.13229	1.6
270.13940	1.5
271.11188	2.0
271.14853	2.8
272.11951	2.8
272.15454	1.8
273.16092	1.2
275.10580	1.4
275.14304	2.5
277.08661	1.5
277.11871	1.4
277.16153	1.1
279.10220	1.2
279.13751	1.7
281.13098	1.3
283.09714	6.2
283.12946	1.2
285.11310	1.8
285.12814	1.8
287.10706	1.8
287.14337	2.4
289.12015	2.0
289.15601	1.9
297.12631	3.1
298.09683	1.4
298.13312	1.7
299.14386	2.1
300.14847	1.1
301.10410	5.4
301.15921	2.3
303.13776	2.2
305.15314	1.9
307.09744	1.3
309.11652	1.1
311.14307	2.2
313.12137	2.8
313.15747	2.6
314.12927	1.4
314.16486	1.5
315.13730	3.1
315.17358	2.3
317.11780	1.9
317.15393	2.0
317.19257	1.2
319.13016	1.8
319.16882	2.4
320.17801	1.3
327.13611	1.5
328.14871	1.4
329.11713	1.7
329.15228	3.7
329.18793	1.5
331.13095	2.9
331.16858	3.5
333.14771	2.2
333.18408	2.6
339.13693	2.8
343.13260	2.3
343.16949	3.6
345.14780	3.5
345.18518	2.5
347.19965	1.9
357.14722	2.6
357.18488	6.6
359.12463	1.4
359.16263	1.9
361.17987	2.9
363.15961	1.4
373.13962	1.7
373.17978	3.3
375.15485	1.7
375.19681	7.0
385.14227	4.5
385.18719	6.1
387.19534	3.3
389.13654	1.2
391.19128	1.8
401.15662	3.3
403.15082	4.3
403.19479	16.6
405.20575	3.0
413.13916	2.8
417.16953	1.9
419.14987	2.9
421.20419	17.1
427.15723	2.0
427.22314	1.2
431.14786	4.6
435.18085	1.8
437.16241	1.8
445.16260	4.0
449.15881	2.9
453.18469	1.4
463.17291	35.3
481.18295	4.8
481.22290	4.2
485.22391	1.7
499.23453	1.4
503.23935	2.1
521.25134	1.6
539.25323	1.1
549.20813	1.8
563.22253	18.5
575.46600	1.2
581.25958	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	581.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01873	6.9
55.05513	60.0
67.05505	5.7
69.03422	5.6
79.05482	4.4
81.03416	5.4
81.07050	4.3
83.04984	100.0
83.24680	1.5
91.05468	9.9
93.07043	5.2
95.04962	7.3
95.08630	1.8
98.20697	2.8
103.05483	4.3
105.07049	8.4
107.04954	2.9
107.08596	6.7
109.06529	4.0
115.05450	6.5
117.07000	11.4
119.08577	12.4
121.06463	3.1
123.08095	3.1
128.06215	2.3
128.78777	1.4
129.06981	9.7
131.04935	5.9
131.08583	7.5
133.10147	4.6
135.08087	7.4
141.07004	2.9
142.07767	4.1
143.08569	7.5
145.06487	10.8
145.10121	5.6
147.08054	56.7
149.09660	3.4
153.07019	2.0
154.07782	1.8
155.08513	3.7
156.09366	4.8
157.06551	2.0
157.10161	10.8
158.07281	2.0
158.63693	1.8
159.08084	13.1
159.11699	4.3
161.06049	3.3
161.09637	9.1
163.07570	5.0
163.11157	1.9
165.06926	2.1
165.09099	3.3
166.07806	2.2
167.08542	4.6
168.09285	1.6
169.10135	5.7
170.10934	3.1
171.08063	4.1
171.11653	7.7
173.05969	8.5
173.09647	7.8
173.13185	1.6
173.48398	1.9
175.07571	10.6
177.09079	3.7
179.08548	2.0
181.10158	4.4
182.07307	3.0
183.08064	4.9
183.11665	6.1
184.08791	3.8
185.09612	10.5
185.13245	4.5
187.07530	3.5
187.11148	8.2
189.12779	1.5
192.09300	1.7
193.10147	2.9
195.08141	1.9
195.11749	3.1
197.09628	11.0
197.13295	3.1
199.07599	1.9
199.11183	18.1
201.09088	2.2
201.12752	7.5
209.09726	3.3
211.07570	5.5
211.11224	6.2
213.12756	4.4
215.10716	5.8
221.09666	1.8
223.11169	4.1
225.09116	9.1
226.09866	4.7
227.10693	10.9
229.12263	9.4
230.10771	2.2
236.11864	1.9
237.12779	2.5
239.10678	7.0
241.08315	1.6
245.11612	9.0
245.15378	2.5
247.13264	2.9
248.11951	1.5
249.12778	2.6
251.14262	2.5
253.12337	1.6
257.11600	9.4
261.12674	2.4
264.20081	1.7
273.12659	2.7
275.12775	7.1
277.12128	2.1
279.13693	1.8
291.13821	2.4
291.69220	1.6
292.23862	1.8
299.14169	2.1
301.15961	2.1
307.13120	2.3
310.13855	1.9
313.15814	2.7
315.17657	2.8
317.15610	1.8
343.16870	2.4
355.16916	1.8
357.18500	4.1
373.17938	6.3
375.19589	7.1
385.17938	5.0
386.17917	1.9
391.19138	4.7
393.20673	5.2
397.53165	1.7
403.19061	22.0
411.54974	1.7
417.20349	2.6
421.20123	52.2
435.21640	4.0
463.20895	7.3
481.22269	24.2
563.26093	13.4
581.27374	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	581.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40864	4.4
52.95682	3.8
53.03924	6.6
55.01883	23.7
55.05507	19.7
56.74660	3.9
65.03952	4.6
67.05517	21.4
69.03426	24.0
71.56247	5.8
79.05497	34.6
81.03413	36.9
81.07043	16.1
83.04993	33.0
91.05479	50.8
93.07040	16.8
95.01371	4.4
95.04976	22.1
95.08614	8.6
97.06549	4.8
103.05455	16.3
105.07049	33.4
107.04929	26.5
107.08591	17.9
108.04484	20.0
109.06488	15.0
109.10154	7.5
115.05444	27.2
116.06240	5.5
117.07011	33.8
119.08588	53.8
121.06503	10.8
121.10121	7.2
128.06255	18.2
129.06992	41.7
129.21690	4.8
131.04941	39.2
131.08574	34.2
133.06480	14.5
133.10101	32.4
135.08054	11.3
141.06995	9.5
142.07764	15.1
143.04901	7.2
143.08556	27.1
145.06493	57.5
145.10123	25.3
147.08046	100.0
147.11633	4.8
149.09621	44.1
153.07008	5.1
154.07700	6.9
155.08568	17.4
156.09351	14.7
157.06502	11.8
157.10143	59.8
159.08061	62.5
159.11699	51.9
161.06004	10.6
161.09599	39.3
163.07509	10.0
163.11238	5.8
165.07031	10.4
165.09113	4.9
167.08559	8.6
169.10130	42.2
170.10904	12.5
171.08029	13.5
171.11694	53.2
172.08842	7.2
173.06010	20.3
173.09686	23.9
173.13272	11.7
175.07635	22.2
179.08533	10.2
180.09309	5.0
181.10132	9.2
182.07381	5.7
183.08043	10.3
183.11693	42.1
185.09639	17.1
185.13272	34.2
187.07457	4.7
187.11166	13.6
189.09166	9.1
191.10579	4.8
193.10089	10.8
194.10918	6.9
195.08113	5.5
195.11679	13.4
197.09601	19.8
197.13164	11.0
199.11227	20.0
201.09157	9.1
201.12733	16.1
205.12222	5.1
206.10834	9.3
206.17531	4.2
207.11690	14.5
209.09631	8.1
209.13229	14.0
211.11165	15.5
212.08415	5.3
213.09096	5.9
213.12625	22.0
215.10767	8.1
216.09322	5.4
217.10219	7.9
217.12206	7.2
220.12634	4.2
221.09621	10.4
221.13240	13.4
223.11156	12.7
223.14856	5.3
225.09105	6.2
225.12697	16.7
227.10733	8.0
229.10300	5.9
229.12231	20.5
230.10851	5.7
231.11761	8.1
231.13824	11.3
233.09604	6.6
233.13206	9.2
233.15318	9.3
235.11092	9.4
235.14861	6.7
237.12769	11.7
239.10747	7.0
241.12343	9.2
243.13864	10.5
244.12399	8.2
245.13301	9.8
245.15422	9.1
247.11017	10.1
247.14934	7.1
249.12810	5.7
249.16304	6.0
251.14421	4.7
260.11963	5.0
261.12564	10.2
261.14853	9.5
263.14291	9.0
269.12988	5.1
273.12494	7.6
285.12851	6.1
287.14301	8.6
289.15924	5.9
297.12561	6.5
299.14130	7.5
300.15005	5.1
301.15842	7.4
303.13916	4.8
313.15714	5.5
314.16513	6.7
315.14032	7.8
315.17349	29.2
317.15439	5.3
319.13177	5.3
321.18631	7.2
325.15790	14.3
329.19031	11.4
331.16962	7.7
333.14908	5.9
333.18417	21.8
339.17685	6.5
343.16888	15.7
345.18521	7.5
347.19989	11.6
357.18262	24.4
361.17923	8.6
375.19617	29.2
385.17801	14.0
389.21146	29.9
391.18939	6.5
399.19455	9.2
403.18994	26.4
405.20801	7.9
407.22281	37.8
417.20688	43.0
421.19907	10.2
433.16132	5.2
435.21774	49.6
463.21255	5.8
464.29205	5.2
477.22845	4.6
495.23743	14.0
549.24780	5.4
563.26471	10.6
581.27771	70.3
581.36731	6.4
581.40448	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	580.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.01850	3.6
55.05519	18.1
57.03448	13.8
57.07063	2.3
57.87706	1.5
60.14408	1.6
65.23828	1.5
67.05183	2.6
67.05510	43.1
68.05837	2.6
69.03423	2.8
69.07075	12.2
69.22852	7.2
69.23277	8.9
71.04971	3.1
79.05500	36.0
80.05809	2.7
81.02994	3.0
81.03428	42.4
81.07064	50.0
83.04988	8.9
83.08184	2.4
83.08625	18.7
85.02911	14.0
86.07311	1.6
91.05489	30.4
93.07056	37.5
94.07363	2.8
95.04974	19.2
95.08051	2.8
95.08619	34.0
96.08930	3.0
97.06548	4.2
97.10168	4.4
105.07026	16.8
107.04945	3.8
107.07968	2.1
107.08612	20.5
109.06524	5.3
109.10184	8.9
111.08074	6.6
113.06013	1.8
117.07008	4.9
119.08576	16.4
121.10158	16.5
123.11752	4.4
125.05917	2.3
129.07007	6.9
131.08569	12.0
133.10124	7.9
135.08087	2.0
135.11713	10.3
136.12094	2.3
137.09601	2.5
145.10129	7.4
146.10498	2.1
147.11728	11.4
149.09601	4.8
149.13234	2.8
157.10130	8.1
159.11653	2.2
163.11142	5.8
163.14799	2.4
164.11542	2.7
165.12907	2.4
175.11218	10.6
193.12257	29.3
211.11317	2.9
211.13312	46.1
227.12807	5.8
228.13194	5.9
229.13390	3.1
261.22147	6.3
267.15857	5.6
283.15317	2.3
284.15717	5.6
285.17017	41.6
335.25815	81.4
336.26144	7.7
337.26385	5.3
468.37698	2.1
484.88113	2.0
527.37115	7.4
545.38318	100.0
580.38971	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	580.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01863	2.8
55.05265	1.1
55.05513	16.3
55.14285	0.6
55.70085	0.6
56.05841	0.6
57.03438	9.0
57.07077	3.2
65.03927	0.8
67.05508	37.5
68.05817	0.7
69.03414	1.1
69.07071	18.0
71.04998	3.0
71.08641	0.8
71.26428	1.1
71.26768	0.7
73.02953	0.7
79.05495	22.0
80.05817	0.8
81.03413	1.7
81.07060	41.8
82.07394	0.8
83.04996	2.9
83.08624	14.1
85.06541	2.3
91.05480	11.6
93.07047	27.4
94.07366	0.7
95.04984	4.4
95.08611	43.9
96.08938	1.4
97.02875	1.2
97.06531	3.9
97.10172	6.0
99.04463	2.6
99.08089	1.4
105.07032	11.1
107.04973	5.1
107.08598	20.4
108.08917	0.7
109.06518	1.4
109.10157	10.9
111.04439	0.7
111.08082	2.3
113.09587	0.8
116.35638	0.6
117.07029	4.7
119.08582	11.3
121.05748	0.6
121.06521	4.0
121.10136	10.5
123.11725	4.0
125.05991	1.0
125.09615	1.0
129.07051	1.0
130.07761	0.8
131.08600	1.7
132.08882	1.1
133.10130	5.6
135.08087	1.5
135.11694	30.0
137.09564	0.7
137.13252	1.8
139.11139	0.6
145.10126	15.5
147.11687	2.8
149.13266	1.5
151.14844	0.9
153.12701	0.8
159.11720	0.6
161.13271	1.9
163.11186	33.7
163.14818	1.3
165.12802	0.8
167.87595	0.6
175.14784	1.6
176.15195	0.6
181.12242	5.4
227.12791	45.2
263.23740	2.5
267.15942	1.2
268.16214	0.9
283.15402	40.2
285.16940	1.4
335.25836	1.3
337.27371	100.0
338.27661	1.3
401.89261	0.9
438.34891	0.8
474.36398	0.9
522.02496	0.7
530.39270	6.5
545.38416	64.4
548.40167	3.5
562.38123	0.7
580.39014	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	580.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01860	0.5
55.05517	6.8
57.03439	0.6
58.06605	29.0
59.96494	0.4
60.04516	1.2
67.05501	3.0
68.52184	0.4
69.03441	2.4
69.07072	2.3
71.08631	0.6
72.08152	1.5
79.05496	2.8
81.03425	1.2
81.07069	3.1
83.04987	38.6
83.08620	0.9
85.02916	1.3
86.08199	0.4
89.05945	0.4
89.66492	0.5
91.05480	1.8
91.65997	0.4
93.07040	4.8
95.04983	0.6
95.08614	7.1
97.06532	1.0
97.10173	0.5
98.20757	1.3
100.07619	6.5
102.69155	0.4
105.07065	2.8
107.08607	5.3
109.06549	1.3
109.10155	3.2
114.09171	1.0
117.07007	0.5
119.08587	4.0
121.06526	0.5
121.10127	3.8
123.08083	3.3
123.11729	0.5
129.07028	0.7
131.08583	4.0
133.10132	3.1
135.08116	0.7
135.11694	1.4
142.07820	0.5
143.08563	2.7
145.10147	4.5
147.11710	1.5
149.09650	3.6
149.13274	0.8
155.08591	1.6
157.10126	4.0
159.11723	3.3
161.13284	1.1
163.11217	0.9
166.07776	0.5
169.10133	3.0
171.11722	2.7
173.13260	2.8
175.14774	0.7
181.10181	0.6
182.11005	0.5
183.11678	4.0
185.13312	3.1
187.14833	2.8
189.16415	0.5
195.11732	1.6
197.13194	3.2
198.14102	0.7
199.14880	1.8
201.16542	0.7
204.29022	0.5
207.11647	0.8
209.13310	1.6
210.14052	0.7
211.14830	2.8
213.16379	1.8
216.19615	0.5
221.13272	0.5
223.14842	1.3
225.16458	2.7
227.17973	1.8
229.55962	0.5
235.14891	0.6
237.16405	1.1
239.18004	1.7
241.19574	0.8
249.16273	0.6
251.17938	1.1
252.18672	0.5
253.19620	1.6
263.18121	0.6
267.21094	0.5
277.19513	0.9
293.22690	1.3
295.24182	3.4
379.26535	2.3
381.27869	1.2
405.28186	0.6
417.31863	0.5
435.32495	0.8
449.30350	1.0
463.32169	1.1
503.35294	7.7
521.36426	6.5
562.39020	1.6
580.40021	100.0
581.40100	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.4
55.05518	22.2
57.03443	10.4
57.09028	1.3
67.05172	2.2
67.05505	27.6
69.03423	4.0
69.07070	7.5
71.04990	5.8
73.01064	1.5
74.88473	1.4
78.87946	1.5
79.05500	25.1
81.03423	58.4
81.07059	21.3
83.04996	12.3
83.08621	16.7
85.06506	1.3
91.05490	20.4
93.07044	21.8
95.04972	22.2
95.08631	11.0
97.06525	5.0
97.10180	15.1
98.86577	1.8
103.05499	1.7
105.07020	16.3
107.04955	14.3
107.08607	13.7
108.94516	1.5
109.06516	14.1
109.10142	9.3
111.04472	2.1
111.08079	4.5
115.05431	2.2
117.07027	5.5
119.04950	2.0
119.08583	13.5
121.06519	15.8
121.10139	12.0
123.08058	4.8
123.11771	2.5
125.09635	13.3
125.12980	1.4
129.06998	12.0
131.04984	3.6
131.08571	13.1
133.06523	4.7
133.10138	8.4
135.08063	7.0
135.11739	2.7
137.09637	2.3
139.11189	2.2
141.07018	2.1
143.08588	2.8
145.06488	6.4
145.10135	7.6
147.04359	1.6
147.08066	6.2
147.11681	5.3
149.09610	7.4
153.09149	3.1
154.07695	1.5
155.08594	3.4
157.06456	2.1
157.10133	10.0
159.08017	3.4
159.11742	1.7
161.05963	2.0
161.09540	2.2
163.11211	3.7
169.10104	3.0
171.08055	4.1
171.11665	3.6
173.09546	1.5
173.13283	3.4
175.11177	7.0
181.10017	1.7
185.09564	2.2
185.13348	1.9
187.11189	1.6
187.14905	2.0
189.11157	3.2
191.14307	4.2
193.12267	12.7
199.11197	3.0
199.37328	1.7
199.84413	1.7
213.12856	2.8
215.14442	1.8
219.13843	10.3
223.13173	2.0
225.12762	1.9
227.12576	2.2
229.14433	3.5
231.13710	2.4
233.15489	2.8
237.12648	2.2
249.14882	1.5
259.15332	6.2
267.15933	40.4
273.14835	4.7
293.17374	7.8
309.54419	1.6
339.23264	2.5
349.21646	6.1
366.29211	1.7
367.22830	17.4
383.24396	2.8
385.23776	24.3
403.24774	11.2
427.05289	1.6
441.26282	5.8
451.26736	3.3
459.27460	100.0
477.28525	82.3
477.35571	2.5
491.30124	6.1
495.29437	5.0
501.78412	1.5
509.31116	3.7
534.93164	1.6
580.28546	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	580.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01881	1.7
55.05513	3.7
55.96308	0.4
56.05039	4.0
57.03434	2.5
57.07074	0.5
60.04529	84.5
60.36839	0.5
61.02927	1.2
62.06084	0.6
64.79079	0.4
65.03944	0.6
67.05509	9.9
68.05017	0.7
68.99799	1.1
69.03433	10.7
69.07076	3.7
69.85786	2.0
70.06593	1.4
71.05000	1.9
72.04525	3.3
73.02924	1.4
74.06075	3.4
79.05499	6.2
80.05029	1.1
81.03422	9.8
81.07062	10.1
82.06595	1.6
83.04996	1.3
84.04506	1.8
84.08162	0.6
85.02908	18.0
85.06567	0.5
86.06079	1.7
87.00834	6.2
90.05560	1.1
91.05476	4.8
93.07057	5.9
94.06570	1.9
95.04991	1.2
95.08612	9.1
96.08131	1.5
97.02892	5.8
97.06545	0.9
97.10174	0.9
98.06064	1.0
99.04449	3.3
101.02370	0.5
102.05533	2.4
103.03938	1.0
104.07108	2.4
105.01882	2.8
105.07033	2.7
107.08587	4.0
108.08153	0.6
108.08867	0.4
109.02878	8.2
109.06524	0.6
109.10157	3.7
110.06057	0.6
112.07610	1.1
115.03983	0.4
116.07109	0.8
117.01865	1.0
117.07013	1.1
119.08588	2.8
121.06554	0.4
121.10141	3.5
122.09722	0.7
123.08134	0.8
123.11720	1.4
126.05536	0.9
127.03933	13.0
129.01846	1.3
130.08635	0.4
131.08580	1.3
133.10147	1.7
134.06059	0.5
135.08051	0.5
135.11705	2.0
147.02840	0.6
147.11658	1.0
149.13318	0.9
151.11172	0.4
152.07056	0.7
153.01775	0.4
157.10106	0.4
159.02896	3.7
159.11705	0.7
161.13309	0.8
173.13202	0.4
186.07675	0.6
187.06001	0.6
195.23566	0.4
215.35538	0.4
231.05046	0.6
243.21182	0.6
248.23750	1.2
254.24840	1.5
260.23773	2.5
266.24872	0.6
274.09351	0.7
278.09003	0.4
278.24805	6.6
296.25873	8.9
310.11325	1.3
314.23212	0.5
314.26913	17.9
332.27957	64.0
356.27905	1.1
370.13565	0.4
374.29230	3.3
378.86176	0.4
384.44852	0.4
384.87949	0.4
422.29077	0.6
482.31241	0.7
494.33521	2.2
498.33063	0.4
500.31915	0.6
518.33124	1.1
526.29828	0.6
536.34351	7.8
544.31049	1.2
562.32404	4.7
580.33307	100.0
581.33673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
57.07079	3.0
67.05508	3.8
69.07056	0.9
71.00494	1.1
71.08632	2.2
72.35970	0.5
81.07063	1.8
83.08578	0.5
85.10179	0.9
90.98938	0.6
91.05487	0.7
93.07047	0.8
95.08636	1.9
109.10179	2.4
110.38629	0.5
111.02689	0.5
118.68992	0.6
123.11716	0.8
152.49269	0.7
165.23819	0.6
169.02667	0.6
201.28792	0.7
266.71527	0.5
267.15662	5.1
313.27414	1.1
323.18375	3.2
448.91519	0.7
467.37338	6.9
553.72900	0.6
579.42340	100.0
580.42804	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3895
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
50.64279	2.2
51.92733	2.4
53.03938	5.5
55.01866	7.5
55.05514	35.4
57.03437	13.5
57.07056	6.7
59.05025	3.3
65.03935	4.5
67.05507	100.0
69.03448	4.2
69.07072	24.9
69.27358	15.7
69.27767	6.3
71.04987	7.6
77.59663	2.0
79.05496	67.5
81.03426	15.1
81.07060	82.1
83.05002	17.1
83.08626	22.1
85.02878	2.6
85.06557	6.4
87.04474	6.8
89.06041	6.0
91.05484	44.5
93.07049	60.7
94.81091	2.3
95.04982	14.0
95.08051	4.3
95.08609	56.2
97.06509	7.8
97.10175	14.2
98.20795	4.6
99.04449	2.7
99.08096	4.8
105.07026	34.2
107.04941	9.2
107.08599	42.2
107.29189	2.5
109.06529	8.2
109.10157	43.5
111.04428	6.3
111.08076	6.6
111.11727	3.4
113.09646	2.3
117.07030	17.7
119.08584	34.6
121.06489	6.1
121.10152	42.8
123.08048	6.4
123.11707	9.3
124.11940	2.2
125.05964	2.9
125.09639	12.9
128.06271	3.0
129.07005	8.0
131.04956	3.2
131.08562	32.7
131.44948	2.7
133.06464	2.5
133.08607	4.1
133.10117	24.5
135.08070	6.1
135.11688	25.5
137.13193	2.9
139.11168	7.2
143.08554	9.1
145.06517	2.8
145.10136	23.2
147.08055	4.5
147.11705	20.6
149.09622	12.1
149.13245	7.6
151.11172	4.5
153.12836	2.9
155.08519	5.2
157.10139	10.1
159.08052	3.9
159.11661	14.5
161.09564	2.5
161.13234	6.8
163.11171	13.4
163.14825	4.3
169.10211	4.8
171.11646	6.4
173.09523	3.9
173.11736	9.8
173.13278	12.4
175.11156	3.5
181.12257	4.1
183.11673	3.1
185.13261	6.2
187.14824	4.6
189.11256	3.5
189.12779	3.2
191.10664	5.6
193.12222	5.1
196.50203	2.3
197.13251	3.4
199.14813	3.6
209.11691	5.3
211.13216	3.7
213.16409	3.3
217.14267	3.0
227.12755	14.2
227.20073	22.3
228.20338	4.1
229.14355	15.5
243.21140	4.9
245.13838	8.8
259.20563	6.8
261.22238	11.1
263.02921	2.3
265.14319	7.4
267.15912	3.9
275.20068	4.8
277.21536	9.0
279.23450	2.5
283.15335	9.4
289.21567	4.0
301.16342	13.9
301.21548	3.1
315.23264	4.3
317.24850	2.5
318.67081	2.3
327.23041	4.3
335.25812	23.7
351.25204	2.4
363.25409	5.2
433.31012	3.1
451.31992	10.3
469.33203	7.2
487.34067	7.5
489.35791	12.9
515.37189	3.5
525.35638	7.2
543.36829	31.8
561.37817	55.8
579.38556	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	579.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80703	7.1
51.32362	7.2
53.03931	13.5
55.01871	13.9
55.05499	31.7
63.63606	9.9
64.45200	8.7
67.05505	52.5
69.03418	33.3
69.07052	28.8
70.99948	16.9
71.01358	11.8
73.02909	15.0
73.10717	7.8
79.05492	33.1
81.03412	19.0
81.07066	68.4
81.19369	7.6
82.03766	7.1
83.04981	36.9
83.08607	15.6
85.02895	18.5
85.06540	11.9
87.04469	9.1
91.05493	52.4
93.07050	55.5
93.73972	7.4
95.04980	27.9
95.08604	65.7
97.06528	20.0
99.04437	10.6
99.08093	12.1
103.05470	44.1
105.03384	29.5
105.07039	82.5
107.04927	11.8
107.08617	52.8
109.06518	28.9
109.10162	41.0
117.07005	32.1
119.08588	98.5
121.06541	14.6
121.10182	42.2
123.08092	8.2
123.11722	9.5
127.03892	18.0
127.37344	7.3
128.06223	8.7
129.07008	15.6
131.04921	91.8
131.08585	52.8
133.06497	17.4
133.10147	63.3
135.08075	17.5
135.11703	24.9
137.09576	15.8
142.07773	21.2
143.08585	60.2
145.06430	12.3
145.10138	71.4
147.07997	15.6
147.11691	42.4
149.09599	20.2
149.13239	20.6
151.11232	19.0
155.08568	34.6
156.09348	25.9
157.10133	100.0
159.08060	25.0
159.11703	75.5
161.09648	20.8
161.13246	28.9
165.06993	14.0
165.09212	8.3
166.07909	11.3
167.08543	10.3
169.10120	62.7
170.10854	17.8
171.08096	15.3
171.11690	66.8
172.08788	14.2
173.09621	22.8
173.13260	34.5
175.11172	9.1
179.08594	17.6
181.10150	28.6
182.10887	15.6
183.08047	8.6
183.11679	61.4
184.09076	7.9
185.09615	23.5
185.13263	42.9
187.11188	15.8
187.14847	11.5
189.08954	11.1
189.12738	11.2
191.10680	12.7
192.09271	8.2
193.10156	23.0
193.12013	8.9
194.10938	13.8
195.11729	56.9
197.09599	13.9
197.13321	53.4
199.11221	36.4
199.14828	30.5
201.09233	14.4
201.12766	21.8
203.10858	14.1
204.09296	8.2
206.10966	10.9
207.11661	36.2
208.12561	12.5
209.13268	42.4
211.11295	13.0
211.14864	47.1
213.12733	42.5
213.16408	23.9
215.14314	14.5
217.12134	10.1
219.11781	13.2
221.13367	20.6
223.11172	9.0
223.14894	44.9
225.12817	17.7
225.16420	29.3
227.18013	12.4
231.13857	17.6
233.13219	11.2
235.14845	20.7
237.16423	17.6
239.17822	41.1
240.70537	10.0
243.13786	41.2
247.14818	14.2
249.16521	13.6
251.18030	12.4
253.16101	8.8
253.19495	20.7
255.21141	72.1
259.13177	13.3
263.18015	10.7
265.16098	9.5
265.19528	22.1
279.17358	10.8
283.17307	10.5
283.20462	47.0
299.23563	12.4
307.20544	15.9
323.20093	14.0
325.21594	68.0
343.18683	11.8
343.22592	80.3
353.21143	11.9
355.22702	16.0
364.21848	12.4
369.24240	28.7
373.18692	9.3
387.21429	20.6
387.25653	16.5
395.22083	34.5
397.23819	17.9
413.23154	36.2
415.24820	41.7
421.19769	12.7
439.25293	18.6
447.23761	33.0
457.25818	35.8
482.32022	7.8
519.25854	52.7
547.19049	7.6
579.21729	12.4
579.33588	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	579.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	1.2
62.71426	0.5
63.57582	0.6
67.05491	2.2
69.07046	0.6
71.08653	0.9
71.19518	1.6
72.72871	0.5
73.65983	0.6
81.07031	1.0
83.08629	1.0
91.05481	0.9
95.08621	0.7
109.10163	1.1
182.82092	0.6
192.27132	0.6
241.10062	0.6
267.89688	0.7
267.92438	0.7
322.51346	0.6
363.16074	1.4
377.17654	1.7
378.18542	1.1
379.19199	1.9
389.17413	1.1
390.18243	1.0
391.14908	0.9
391.19278	2.0
392.16141	1.3
393.20837	3.3
403.19128	1.5
404.19882	1.1
405.16592	1.2
405.20804	1.8
406.17743	1.6
407.18024	1.4
407.22418	2.1
417.16220	0.8
417.21164	1.0
419.22467	1.7
420.15152	1.2
421.19986	8.2
433.15924	3.1
433.24112	1.6
434.17130	1.7
435.17099	5.0
435.22556	1.9
436.22705	9.6
437.22940	0.9
444.23251	1.0
445.19791	0.8
447.22229	3.6
448.18875	2.5
449.19232	11.7
450.24155	1.6
452.21808	1.1
460.22491	1.5
462.20203	1.0
463.21201	10.7
464.21722	1.0
465.23325	0.7
467.37408	4.2
473.23694	0.7
474.24185	1.1
475.21103	12.4
476.21411	1.4
477.23102	5.6
491.24216	2.7
492.21558	13.1
503.24515	1.3
507.27332	1.5
519.23505	2.9
522.22601	0.7
523.27106	12.6
533.26025	0.9
535.27057	2.6
547.26373	1.9
551.26581	18.1
579.25934	100.0
580.26099	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1502
Annotation	Procyanidin B1
Peak:m/z	Relative Intensity
53.03944	1.4
55.01870	2.7
68.99782	5.8
69.03423	1.5
70.83213	2.1
70.83558	1.2
77.03906	1.5
79.05522	1.4
81.03404	3.5
85.02902	2.2
91.05479	1.6
91.80720	0.9
93.03410	1.9
95.04939	2.5
97.02885	1.7
99.04457	1.5
103.77479	0.9
107.04957	2.8
109.02871	3.3
109.93023	0.9
111.00789	3.1
111.04424	2.9
117.03439	1.5
119.04966	2.0
121.02879	1.7
123.04426	55.3
127.03918	100.0
129.03346	1.0
131.04918	1.8
135.04413	25.3
137.02367	5.2
139.03906	63.1
141.06961	1.2
145.02832	1.2
147.04414	8.0
149.02357	5.5
149.05893	1.4
150.00063	1.0
151.03897	13.3
153.07014	1.0
159.04443	3.5
161.05898	5.4
162.00343	1.0
163.03906	38.6
165.05522	7.6
167.03395	8.6
169.06544	1.5
173.05907	2.3
175.03865	5.8
175.07524	1.5
177.05479	4.6
179.03407	4.5
181.04811	1.7
181.06398	1.2
185.05971	1.7
187.03912	5.9
189.05515	3.5
191.03394	16.9
193.04979	4.9
197.05920	3.1
201.05489	9.3
203.03352	11.5
203.07089	1.7
205.04929	3.4
207.06487	1.2
213.05408	2.7
215.03302	1.1
215.07080	1.9
227.06987	1.3
229.04903	10.0
231.06577	1.4
233.04396	7.8
236.98262	1.1
241.05066	2.3
243.06583	3.7
245.04472	9.9
247.06000	24.8
253.04778	1.2
255.06470	2.8
257.04453	15.4
258.05389	1.6
259.06012	14.2
260.06485	2.1
269.04388	2.7
271.05981	18.5
273.07547	2.6
275.05490	20.5
283.05927	9.0
287.05490	26.3
289.07098	15.4
291.08630	14.5
299.05624	5.3
301.03726	0.8
301.07047	18.9
303.08783	4.6
350.12610	1.1
409.09189	27.9
409.79608	1.0
411.10727	4.8
421.09143	3.2
427.10306	11.2
434.09811	1.0
435.10666	1.6
439.10010	1.9
453.11743	1.3
559.49554	1.0
579.20605	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	579.1503
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
53.03939	0.9
55.01876	1.3
65.03936	0.8
67.01880	0.5
67.05511	0.7
68.99791	3.8
69.59634	2.7
70.06567	0.5
70.95065	0.4
72.85020	0.5
73.40808	0.3
77.03929	0.8
79.05503	0.8
81.03423	2.8
84.04528	0.4
84.08145	0.4
85.02914	1.2
89.03928	1.0
91.05483	0.8
91.81985	0.4
93.03381	0.6
95.04969	1.1
97.02891	1.0
99.04456	1.1
103.05485	0.5
105.03403	0.8
107.04964	3.0
109.02905	3.4
111.00809	1.6
111.04444	1.8
113.04856	0.7
117.03477	0.4
119.04965	1.8
121.02876	1.5
123.04441	32.6
123.92483	0.5
127.03928	100.0
131.04926	1.4
135.04430	25.8
137.02382	1.9
137.05960	0.6
139.03915	37.7
139.57158	0.4
141.06993	0.9
145.02850	0.9
145.06534	1.2
147.04424	6.4
149.02336	3.8
149.06007	1.7
151.03911	7.5
153.01891	0.5
153.05486	0.5
153.06987	0.5
155.04901	0.9
157.06526	0.4
159.04466	2.2
161.06009	3.4
163.03925	30.5
164.04276	0.5
165.05508	4.5
167.03418	7.5
169.05177	0.4
169.06557	1.3
173.05956	2.6
175.03912	3.4
177.05492	3.4
179.03407	2.4
179.07013	0.5
181.04996	1.0
181.06496	0.8
183.04459	1.0
185.06024	1.6
187.03873	5.7
187.07530	0.8
189.05453	2.3
191.03416	9.0
193.04991	2.9
197.06010	3.0
201.05495	5.4
203.03432	6.1
203.07065	1.7
205.04994	3.4
207.06578	1.3
210.15642	0.4
213.05542	1.2
215.03458	1.1
215.07054	2.3
217.04977	1.1
219.06433	0.6
223.06187	0.7
225.05489	1.0
229.04980	6.5
231.06509	2.2
233.04465	4.7
235.05981	0.6
241.05022	1.2
243.06543	4.3
245.04482	5.6
247.06049	12.1
251.05513	1.4
253.05043	1.4
255.06569	1.4
257.04456	7.7
259.06052	8.2
260.06052	0.5
265.05075	0.5
269.04425	2.0
271.06024	18.4
273.07748	1.1
275.05502	13.2
275.08472	0.8
277.07214	0.9
283.06073	5.3
285.07797	0.7
287.05515	15.7
289.03848	0.8
289.07083	14.5
291.08624	12.2
296.08472	0.5
297.07706	0.8
299.05618	2.6
301.07092	10.2
303.08688	1.8
311.05704	0.5
313.07016	0.6
325.07333	0.6
374.16342	0.4
391.08392	0.7
409.09235	19.0
411.10767	2.5
421.09323	0.9
427.10339	6.2
435.10831	1.2
439.10272	0.5
458.99753	0.4
495.72327	0.4
579.12805	0.8
579.20624	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01859	2.6
55.05516	12.6
56.34579	0.8
57.03439	8.2
57.07079	1.1
59.81601	0.8
65.03939	1.4
67.05510	41.0
69.03421	1.3
69.06721	1.2
69.07069	12.1
69.67479	1.6
69.67889	3.4
71.04980	2.6
73.02928	1.3
79.05495	31.8
80.40388	0.7
81.03415	2.0
81.07063	36.8
82.07384	1.5
83.04979	3.2
83.08623	7.7
85.06544	0.9
87.08302	0.9
91.05479	14.2
93.07048	41.5
95.04971	5.5
95.08609	39.3
95.57272	0.7
97.02892	1.7
97.06517	3.0
97.10136	1.5
99.04454	2.4
105.04514	1.2
105.07039	10.6
107.04967	4.6
107.08604	27.2
108.08951	0.9
109.06518	1.8
109.10152	9.6
111.04458	1.0
111.08067	1.0
117.07024	7.3
119.08595	10.2
121.06510	3.1
121.10138	13.4
123.08000	0.9
123.11715	2.8
125.06013	2.0
125.09678	0.9
130.07822	1.5
131.08591	5.2
133.10089	5.5
135.08072	2.1
135.11703	29.0
139.07521	0.9
143.08597	0.8
145.10124	16.0
147.11630	1.9
149.13271	3.0
153.12700	1.0
159.11664	2.3
161.13292	2.0
163.11192	33.6
163.14824	1.3
173.13235	2.4
175.14828	0.9
181.12224	4.2
187.14708	0.9
227.12788	50.5
243.21111	1.7
261.22202	4.8
267.76495	0.9
283.15402	33.9
283.18536	1.7
291.67908	0.8
317.24698	1.7
335.25806	100.0
336.26117	1.2
528.37811	3.1
543.36865	55.0
544.37048	1.1
546.38861	3.8
546.93323	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.4
51.56421	1.3
53.03933	4.7
55.01868	3.0
55.05517	12.8
57.03441	9.6
57.07064	1.1
61.11112	1.2
67.05509	41.3
69.07083	11.0
70.61008	4.4
71.04977	4.3
73.02903	1.9
79.05505	38.2
81.03403	2.4
81.07067	42.9
83.04986	4.5
83.08639	10.7
91.05490	15.3
93.06482	2.8
93.07056	55.5
95.04984	6.9
95.08617	53.2
97.02916	1.9
97.06535	5.0
97.10184	1.5
99.04456	4.3
103.05389	1.4
105.04543	1.2
105.07036	13.1
107.04971	7.9
107.08607	32.9
109.06496	1.5
109.10173	10.0
111.04533	1.4
117.07043	7.6
119.08591	12.5
121.06490	5.8
121.10181	15.9
123.11671	2.1
125.06017	2.3
130.07785	1.7
131.08565	4.1
133.10133	5.2
135.11707	44.1
145.10138	27.3
147.11710	1.9
149.13239	2.0
159.11652	3.1
163.11200	57.8
181.12225	9.6
192.54320	1.3
203.08791	1.4
209.11737	2.2
227.12802	79.5
228.86334	1.4
243.21091	2.5
261.22089	6.3
283.15424	77.2
317.24783	2.5
335.25842	100.0
336.17108	1.3
543.36884	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01873	1.9
55.05515	7.4
55.50302	0.8
57.03447	5.0
57.07084	1.0
65.03938	1.0
65.04292	0.8
67.05508	23.7
69.03444	2.2
69.07072	4.4
71.04996	11.5
71.07005	0.9
71.56314	1.1
73.34887	0.9
79.05500	13.2
81.03423	24.9
81.06580	2.0
81.07059	34.4
83.04964	4.4
83.08633	8.0
85.06552	3.1
89.43836	1.0
91.05482	16.7
92.05807	1.1
93.07046	11.4
95.04977	14.2
95.08596	6.0
97.02906	0.9
97.06527	2.0
97.10177	3.4
103.05480	1.5
105.03452	1.0
105.07042	10.2
107.04961	8.0
107.08589	8.3
109.06541	5.2
109.10152	5.0
111.04434	1.0
111.08093	2.7
117.07026	3.6
119.08567	7.3
121.06514	5.6
121.10167	4.8
122.81854	0.9
123.08073	1.9
123.11701	4.8
125.09618	2.3
128.06281	1.1
129.07047	5.0
131.04964	3.2
131.08591	8.3
132.05301	0.9
133.06528	2.8
133.10146	9.8
135.08075	3.1
135.11708	2.2
140.89807	0.9
141.07077	0.9
142.07800	1.7
143.08563	1.4
145.06514	2.2
145.10170	2.3
147.08075	3.5
147.11679	2.8
149.09598	4.3
149.13239	1.9
151.11223	3.7
155.08638	1.5
157.10120	5.5
159.08080	1.4
159.11737	2.8
161.09673	1.6
161.13353	0.9
163.07526	1.6
163.11157	1.7
171.11731	3.1
173.09624	1.6
173.13350	1.7
175.11237	3.6
177.12775	1.6
183.11725	1.4
185.13295	1.9
187.13319	1.1
189.11134	1.1
191.14334	2.0
193.10654	0.9
193.12248	6.2
199.11211	1.0
205.12253	1.3
209.13161	1.3
213.12865	1.1
217.15919	1.0
219.13834	2.8
223.13330	1.1
231.13850	2.0
236.65871	0.9
243.52986	1.2
267.15942	14.1
301.20166	4.6
325.21768	1.2
343.22922	4.8
361.23752	1.0
369.24393	2.6
387.25620	1.4
406.78595	0.9
417.26294	4.3
425.26868	1.0
435.27335	22.6
443.27951	9.7
461.29004	100.0
462.29285	1.5
465.02206	0.9
478.22775	9.1
493.31573	9.5
546.25494	1.0
578.28113	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	578.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.0
55.05518	12.6
55.13010	2.5
57.03439	4.4
57.07067	3.2
60.04514	2.3
61.02934	3.8
67.05495	7.7
69.03429	9.8
69.07048	9.3
70.10734	7.7
70.71231	2.7
71.05000	20.3
72.24886	2.2
73.02928	3.4
73.06538	3.7
79.05502	19.1
81.03412	9.2
81.07063	47.0
83.04967	10.0
83.08617	5.1
85.02911	29.8
85.06541	5.2
91.05490	21.2
93.07058	28.9
95.04956	6.8
95.08611	14.0
97.02904	16.9
97.06534	8.2
97.10172	7.7
99.04464	17.6
99.08094	11.8
103.03949	40.3
105.07038	63.3
107.04978	5.4
107.08593	25.1
109.02869	9.1
109.06522	5.1
109.10154	13.1
111.08105	3.3
117.07006	7.5
119.08577	25.5
121.06489	7.2
121.10149	13.6
123.08096	3.1
123.11715	5.5
125.05982	5.5
125.09647	48.9
127.03921	46.3
127.07542	5.9
127.11209	6.4
127.61652	2.2
129.07056	2.6
131.08611	15.1
133.10135	78.5
135.08022	4.0
135.11685	9.9
137.09526	3.1
139.11197	4.2
143.06955	2.5
143.10681	100.0
145.04961	20.8
145.10117	19.0
147.08072	2.5
147.11693	31.8
149.09605	8.9
149.13263	6.6
151.11212	2.8
152.09013	2.3
153.09178	2.6
153.12787	4.2
157.10110	3.4
159.08099	3.2
159.11696	12.1
161.09602	3.6
161.13277	11.5
163.06029	31.6
163.07266	4.3
163.11182	13.0
167.14320	9.7
169.10173	2.2
173.09666	4.3
173.13281	2.6
181.12311	3.2
187.05991	3.5
187.11134	3.9
191.10660	2.7
191.17934	3.7
197.13228	3.4
201.16376	18.2
209.11653	2.9
219.17465	53.1
225.12704	3.6
227.12773	4.6
237.18484	8.0
255.67180	2.9
271.08084	2.6
283.15396	22.3
289.18228	3.5
307.10141	19.6
307.18729	2.6
363.21725	3.8
381.22806	19.3
440.21478	2.9
542.24591	4.4
578.26056	3.9
580.39429	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	577.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
53.77416	2.3
54.67449	2.2
55.01869	7.6
55.05512	39.1
57.03458	13.4
57.07071	2.9
59.04992	4.9
65.03945	6.4
67.05510	89.3
69.03428	4.0
69.07078	27.6
69.75411	2.4
71.04995	14.7
73.06543	3.2
77.03952	2.3
79.02000	2.5
79.05498	80.3
81.03425	27.8
81.07064	100.0
83.04975	9.4
83.08640	23.3
85.06551	14.5
91.05493	61.1
93.07051	67.6
95.04987	18.3
95.08617	63.6
96.32787	2.3
97.06544	13.2
97.10176	22.9
99.08078	4.4
105.03374	3.1
105.07049	64.3
107.04986	7.2
107.08602	45.5
109.06495	8.6
109.10172	37.9
109.41592	2.4
111.08085	11.0
115.05453	3.5
117.07020	24.5
119.08591	58.7
121.06507	4.0
121.10162	29.1
123.08067	5.0
123.11735	12.2
124.36819	2.8
125.09665	13.9
128.06233	5.3
129.07005	11.2
130.08617	4.6
131.08575	35.9
133.06509	3.0
133.10143	30.0
135.08067	7.0
135.11725	20.1
137.09613	4.1
139.11182	4.1
141.07034	4.5
142.07776	3.9
143.08601	18.2
145.10161	40.5
147.08043	4.3
147.11688	22.1
149.09619	8.1
149.13239	8.1
151.11201	4.1
155.08618	7.3
157.10123	15.5
159.11728	23.2
161.09645	4.8
161.13319	13.9
163.11198	8.5
163.14832	5.0
165.12758	4.5
167.08525	2.9
169.10081	12.4
171.11679	13.7
173.09584	2.8
173.13284	16.3
175.11197	6.0
175.14832	6.3
177.12785	5.3
183.11670	14.0
185.13284	11.5
187.14833	8.0
189.11247	13.4
189.12831	3.0
193.12277	8.7
195.11804	3.6
197.13277	4.5
199.14859	6.6
201.16454	4.0
209.13295	3.9
211.14980	5.4
221.13329	3.7
227.12790	18.6
227.17918	3.1
229.14265	2.7
239.16364	3.9
243.21033	4.1
253.19438	2.7
259.20523	3.4
261.22165	11.0
267.15970	33.7
269.17422	3.8
271.20471	3.0
285.22018	4.1
287.20245	2.8
287.23569	3.9
289.21484	5.8
299.23724	3.5
301.25317	18.6
303.23206	5.2
305.24677	3.0
315.23138	3.9
333.24008	3.7
335.25974	21.1
359.25793	3.1
363.25195	5.3
417.31018	5.5
420.59274	3.1
435.32651	22.0
453.33438	15.6
471.34799	11.8
477.48849	2.8
509.36481	6.8
519.36615	4.1
527.37347	81.5
545.30505	4.9
545.38385	70.9
559.39099	11.9
577.24219	3.2
577.41022	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	577.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.01860	5.2
55.05518	41.1
57.03433	13.5
57.07089	3.7
59.27398	3.1
62.56590	3.6
65.03932	3.7
67.05506	96.4
68.38497	3.7
69.07069	35.6
71.04986	13.7
79.05061	5.2
79.05492	63.4
81.03420	25.3
81.07061	100.0
83.04981	9.0
83.08614	22.5
85.06550	13.5
91.05480	57.3
93.07044	71.3
95.04963	16.3
95.08604	64.8
97.06509	13.7
97.10171	20.1
99.08089	5.4
105.07034	55.2
107.04881	6.0
107.08604	44.9
109.06535	7.4
109.10168	38.7
111.08064	4.4
117.07030	22.9
119.08583	47.0
121.06471	4.1
121.10142	29.5
122.33167	3.3
123.08054	7.2
123.11704	7.8
125.09641	13.4
128.06247	5.6
129.06969	17.7
131.08574	40.1
133.10121	30.7
135.08069	5.2
135.11685	24.8
137.09671	3.3
137.13255	3.4
139.11169	4.3
141.06946	4.3
143.08589	15.4
145.10124	38.4
147.07983	5.4
147.11716	28.1
149.09627	9.7
149.13240	12.8
155.08575	7.7
157.10101	11.8
159.11702	22.0
161.13147	7.2
165.12752	4.2
169.10159	10.5
171.11662	6.3
173.11833	3.9
173.13193	15.8
175.11150	6.9
175.14891	4.1
181.10081	8.9
183.11737	11.4
185.13214	9.5
187.14793	6.9
189.11307	8.6
193.12207	10.6
197.13228	8.0
199.14799	9.6
211.14815	6.2
227.12845	15.1
229.55583	3.8
241.19597	3.5
261.22092	10.5
267.15884	28.2
279.23245	3.7
285.22000	5.1
287.23550	3.9
289.21759	4.0
301.25250	13.5
311.23700	3.8
333.24228	3.8
335.25906	24.4
363.25290	5.9
383.03699	3.3
417.31348	7.0
435.27402	6.0
435.32697	17.5
453.33887	22.3
471.34473	6.3
501.34998	3.7
509.36261	9.7
527.29987	6.1
527.37335	82.9
545.38434	67.7
559.39789	17.4
577.24304	10.7
577.41229	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	577.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.9
55.01859	6.0
55.05516	37.4
57.03447	14.6
57.07077	2.7
59.04991	4.1
65.03944	4.1
67.05511	91.1
69.03417	4.8
69.07070	28.6
69.89758	5.1
69.90154	5.0
70.00612	2.1
71.04996	17.9
77.03938	2.4
79.05067	4.3
79.05499	61.8
81.03419	25.2
81.07062	100.0
83.04974	10.0
83.08627	18.2
85.06533	9.5
91.05487	59.3
93.06474	4.1
93.07050	67.5
95.05000	15.2
95.08615	62.2
95.53683	2.2
97.06546	12.6
97.10174	18.1
99.08079	2.7
100.36160	2.1
105.07035	58.6
107.04999	5.4
107.08600	45.7
109.06513	6.0
109.10164	31.9
111.08062	6.7
115.05460	5.1
117.07034	21.7
119.08595	48.0
121.06527	3.4
121.10163	33.5
123.08061	7.7
123.11722	14.0
125.09644	13.3
128.06178	2.3
129.06995	16.7
131.08572	39.9
133.06503	2.6
133.10130	28.7
135.08043	6.6
135.11716	20.5
137.09637	4.1
137.13310	3.9
141.06993	3.3
143.08548	14.5
145.06442	3.2
145.10121	27.4
147.08086	3.4
147.11694	25.6
149.09592	8.5
149.13258	11.7
151.11200	3.4
153.06987	2.2
155.08554	6.6
157.10155	12.9
159.11703	21.9
161.09642	3.1
161.13278	14.1
163.11189	6.3
163.14864	4.2
165.12827	4.8
169.10135	8.8
171.11693	11.4
173.13243	13.9
175.11153	3.6
175.14815	9.7
177.12810	2.8
178.18053	2.6
178.35136	2.5
181.10123	3.9
183.11728	9.3
185.13260	7.4
185.55087	2.6
187.14867	7.8
189.11200	9.6
189.16335	4.2
191.65134	2.5
193.12315	6.8
195.11705	4.0
195.13811	4.0
197.13254	5.6
197.15311	3.1
199.13216	3.1
199.14865	5.2
201.12851	2.6
203.14360	2.5
209.13412	2.3
211.14883	5.9
213.14738	4.1
213.16553	4.2
221.13251	3.2
223.14810	4.1
227.12781	14.9
229.85126	2.3
239.16312	2.9
244.50604	2.4
246.19565	2.2
261.22156	9.9
267.15915	29.9
268.23041	2.5
285.22061	6.6
287.23587	3.6
289.21707	5.1
299.23724	4.6
301.25159	11.4
315.23080	3.0
317.24899	3.4
335.22650	2.3
335.25952	21.8
339.23026	2.3
361.27478	2.8
363.25540	4.7
417.31387	7.0
435.27194	3.7
435.32574	19.6
453.33725	18.7
471.34824	10.9
509.36172	11.1
527.37323	98.9
541.38306	3.0
545.30432	4.1
545.38428	66.4
559.40198	16.3
577.24207	10.0
577.40802	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	577.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01857	6.3
55.05518	44.5
56.71383	2.9
56.89564	2.7
57.03426	11.8
57.07072	5.2
67.05512	90.0
69.03430	6.8
69.07079	24.8
69.27846	29.0
71.04986	10.4
71.08615	4.7
79.05495	53.4
81.03421	7.3
81.07066	100.0
83.04986	10.7
83.08624	29.2
85.06546	6.1
91.05489	49.6
93.07052	68.4
95.04971	12.6
95.08617	61.4
96.61934	3.0
97.06541	9.9
97.10190	29.2
99.00777	3.3
103.05508	3.8
105.07042	53.5
107.04969	11.5
107.08595	45.7
109.02892	7.3
109.06522	10.0
109.10165	41.5
111.04412	4.0
111.08109	9.9
111.11763	3.6
117.07020	20.1
119.08598	41.9
121.06494	7.8
121.10151	34.8
123.08045	6.3
123.11708	13.3
125.09629	21.6
128.06206	3.2
129.06982	10.9
131.08577	28.2
133.06540	3.8
133.10155	39.6
135.08115	7.1
135.11682	21.5
137.09648	4.1
139.11191	4.0
141.07095	3.1
143.08633	15.2
145.10107	21.8
147.08076	5.1
147.11679	15.4
149.09590	6.7
149.13307	15.5
151.11205	12.8
155.08588	5.8
157.10120	14.4
159.11711	16.0
161.09604	13.6
161.13281	12.0
163.14886	5.7
167.58971	3.1
169.10115	9.8
171.07985	4.7
171.11714	10.3
173.09630	3.7
173.13287	10.5
175.11128	5.8
175.14757	3.7
179.10612	7.5
179.14337	6.5
183.11693	8.8
185.13286	12.6
187.11215	3.3
187.14801	7.5
189.09108	4.4
189.11203	10.5
191.10805	3.6
197.13217	5.4
199.14871	7.9
215.66460	3.1
225.11240	9.8
227.12775	18.3
243.21236	5.0
259.20554	7.1
261.22061	19.4
277.21609	10.4
279.23236	3.5
281.13785	6.7
283.15436	7.3
287.23624	4.7
299.14856	22.9
301.25421	4.8
315.23248	11.1
333.24136	4.4
335.25793	30.1
400.29254	12.4
421.30887	8.2
435.32742	5.0
439.31912	9.1
449.30267	5.4
457.33426	4.2
467.31549	11.5
471.34326	5.7
485.32553	10.7
507.96295	3.8
513.35553	16.5
515.37030	3.5
519.36725	10.9
523.33484	3.4
527.37250	21.0
528.81573	3.3
531.36792	10.0
536.13489	3.6
541.35059	44.9
545.38312	20.2
559.35919	58.4
577.23804	5.3
577.37549	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	3.1
53.03942	7.5
55.01871	8.7
55.05269	3.1
55.05516	48.7
57.03429	10.6
57.07074	6.1
59.04979	3.7
65.03917	3.1
67.05509	100.0
69.03417	8.3
69.07071	22.1
69.51409	16.4
71.04986	8.3
71.08623	2.5
74.82761	2.2
75.11317	2.2
77.03954	2.3
78.12229	2.5
79.05495	57.0
81.03414	8.9
81.06588	5.2
81.07059	100.0
83.04963	8.3
83.08624	18.5
85.06544	7.6
91.05482	60.1
93.07050	65.8
95.04974	14.3
95.08070	3.6
95.08620	59.4
95.51554	2.4
97.02870	3.6
97.06517	10.9
97.10174	26.8
99.00819	4.7
99.08106	4.1
103.05489	3.0
105.04524	2.8
105.07030	46.5
107.04945	9.6
107.08600	45.6
109.02877	6.7
109.06509	7.4
109.09465	4.1
109.10162	46.4
111.04468	5.6
111.08057	8.1
113.79783	2.2
115.05426	3.3
117.07004	15.4
119.08583	31.8
121.06488	6.7
121.10145	27.4
123.08048	6.8
123.11729	18.1
125.09647	18.0
129.07001	8.5
131.08559	27.5
133.10146	45.4
135.08070	5.9
135.11679	19.2
137.09612	5.1
137.13287	4.4
143.08563	15.7
145.10167	25.2
147.08041	5.6
147.11703	18.3
149.09566	4.6
149.13234	9.3
151.11162	16.3
151.14903	2.7
153.12747	3.4
155.08545	10.1
157.10133	9.4
159.08012	3.2
159.11700	17.5
161.09657	11.8
161.13249	10.9
163.11203	5.7
163.14845	5.6
167.08611	3.6
169.10115	5.4
169.12183	2.7
171.07971	3.6
171.11671	8.7
173.09633	4.0
173.11876	2.8
173.13214	11.9
175.14870	6.5
179.10690	4.5
179.14328	4.5
181.10179	3.0
183.11667	6.5
185.13251	12.0
187.14789	8.8
189.09120	5.0
189.11238	11.1
189.16487	2.7
197.13257	5.8
199.14841	4.5
201.16351	3.3
209.13393	4.4
209.15204	2.8
213.12775	3.5
213.16386	4.0
215.12642	3.4
223.14774	3.3
225.11256	8.6
225.16377	2.8
227.12770	23.1
243.12105	4.0
243.21002	4.8
253.14395	3.6
259.20404	4.8
261.22165	25.5
267.15942	3.4
275.20038	5.6
277.21619	8.4
279.23257	5.0
281.13867	3.4
283.15320	10.9
287.23663	3.8
289.21634	3.5
297.22128	3.1
299.14899	38.2
315.23141	7.8
317.24643	4.3
333.24252	3.6
335.25867	25.7
421.30914	8.6
431.29053	3.1
435.32431	3.8
449.30362	8.8
453.33743	3.3
457.32907	5.5
467.31592	15.5
485.32227	14.0
501.35403	3.6
513.35864	17.6
515.37299	5.5
519.36530	10.4
527.37317	16.2
531.37134	17.0
541.35248	58.1
545.38361	16.1
559.36169	63.0
577.37134	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	577.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	10.2
55.05508	29.4
56.90973	6.2
59.04991	6.4
65.03909	6.9
67.05511	59.9
69.03434	11.4
69.07061	22.6
69.74653	5.3
71.04985	8.3
71.55344	5.9
74.94674	5.7
79.05497	47.1
81.03417	15.3
81.07063	88.6
83.05006	27.5
83.08635	13.8
89.82945	5.0
91.05489	48.3
91.22770	5.5
93.07050	70.7
95.04968	17.5
95.08617	76.9
97.06541	29.6
105.03406	10.6
105.07044	77.3
107.08604	93.5
109.06547	12.9
109.10143	41.6
111.08090	26.5
117.07014	25.5
119.08583	100.0
121.06491	10.1
121.10168	47.7
122.06808	5.8
123.08073	15.8
123.11728	6.9
125.09634	17.4
128.06245	12.8
129.07004	20.9
131.04993	4.9
131.08582	64.8
133.06445	6.8
133.10143	60.8
135.08073	16.2
135.11699	25.4
137.09650	17.9
139.07538	12.7
143.08565	47.6
145.10138	82.7
147.08058	15.6
147.11681	46.5
149.02356	22.1
149.09613	20.6
149.13269	16.1
151.11237	10.2
153.08958	5.8
153.35394	5.8
155.08572	19.1
156.09378	7.4
157.10178	52.8
159.08127	12.8
159.11710	62.6
161.09680	16.7
161.13255	26.7
163.11162	12.8
169.10115	33.0
170.10959	9.7
171.11697	39.1
173.09686	10.9
173.13261	36.3
175.11191	14.2
175.14882	7.6
177.08954	5.9
177.12717	5.8
181.10063	11.8
183.11726	32.4
185.13300	74.1
187.11197	10.9
187.14839	31.6
189.12721	6.4
189.16541	8.5
191.10736	9.9
191.14351	10.1
193.05019	15.9
193.12296	7.1
194.14684	7.4
195.11732	13.7
197.13261	25.2
197.33209	5.6
199.14839	55.7
201.12796	8.8
201.16429	14.7
203.14268	11.4
205.15958	6.8
207.11696	7.9
209.13307	14.1
211.14845	24.1
213.16402	25.6
215.14310	8.9
215.17838	10.1
217.15877	22.7
221.13345	11.1
223.14792	14.0
225.16304	17.1
227.17975	12.8
229.16011	7.4
231.17494	12.2
235.14815	11.6
237.16425	13.7
239.17897	11.2
243.17561	18.5
251.17891	9.0
253.19472	7.1
255.17699	7.6
261.16440	8.2
263.18140	9.8
265.19528	13.9
273.18356	9.3
275.20163	7.3
291.21078	10.1
293.22653	17.3
305.22522	11.9
309.22018	12.8
311.23770	20.0
323.23865	7.5
337.25162	13.7
349.25131	20.6
355.26291	15.5
367.26175	21.2
377.24506	11.1
383.29520	10.2
385.27496	8.3
395.25656	12.8
413.26898	94.4
421.30695	6.2
422.31207	7.8
431.29562	6.7
445.29520	13.2
449.30533	9.7
467.31616	34.9
485.32843	27.7
486.32953	31.9
509.32437	8.7
527.33636	57.2
542.33698	7.4
554.67792	8.3
559.36456	39.9
577.12927	8.7
577.37445	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.9
55.01872	12.2
55.05515	19.4
57.03445	7.3
57.07074	7.9
61.02924	7.6
61.54081	3.4
67.05509	39.5
69.03430	39.9
69.07072	46.9
71.03603	9.5
71.04989	12.5
71.08624	4.2
79.05502	17.5
81.03420	29.7
81.07060	92.9
83.04990	6.5
83.08628	20.1
85.02907	100.0
85.06557	10.8
87.00840	40.1
91.05483	15.0
93.07052	32.6
95.04953	8.2
95.08611	97.1
97.02899	47.3
97.06530	9.4
97.10170	13.9
99.04467	13.9
99.08092	11.3
103.05486	4.5
105.01872	72.7
105.07029	18.5
106.36791	3.5
107.04971	6.9
107.08580	23.4
109.02873	22.3
109.06547	8.5
109.10162	64.3
111.08085	11.0
111.11723	13.3
115.03898	5.4
117.06956	4.2
119.08587	15.2
121.06535	6.8
121.10127	18.2
123.04437	4.5
123.08069	5.9
123.11735	36.2
125.05975	3.7
125.09641	7.4
125.13259	14.6
127.03909	61.5
131.04919	6.1
131.08585	14.0
133.06477	4.2
133.10115	12.3
135.08076	4.6
135.11688	15.0
135.84648	3.9
137.05948	4.8
137.09650	6.2
137.13240	23.7
138.79625	3.5
139.02698	3.6
143.08612	6.3
145.04979	19.6
145.10150	9.8
147.08046	5.1
147.11661	6.9
149.09607	4.4
149.13286	15.2
151.14844	8.9
157.10152	9.0
159.02956	11.5
159.11676	6.0
163.11226	5.7
163.14824	12.1
165.09053	5.6
165.16492	7.0
169.10100	6.1
169.79134	3.8
171.11641	8.1
173.09697	6.3
173.13261	5.6
177.05527	4.8
177.16295	5.4
179.17897	5.3
183.11745	5.0
189.03975	4.0
191.10675	4.2
191.17854	5.4
193.12473	3.9
199.11107	4.1
205.12303	3.6
209.13391	4.7
211.11147	5.2
219.21034	4.4
231.04958	27.0
231.13939	3.8
249.06088	17.2
275.27383	12.4
276.85318	4.2
291.26666	6.0
293.12100	4.4
293.28351	27.2
300.21899	3.4
305.28461	4.7
317.28339	8.0
359.29297	5.8
383.29388	14.0
401.30350	11.1
415.10355	8.1
461.32465	4.5
487.30609	16.4
499.22919	4.2
505.31464	10.3
523.32751	4.7
577.28058	8.8
587.84961	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	577.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.9
51.02391	1.1
53.03936	2.1
55.01867	2.1
55.05510	2.9
55.18409	1.0
67.05508	7.5
69.03424	3.6
69.07077	4.2
71.05027	1.1
73.15514	1.1
79.05489	7.6
81.03417	2.2
81.07071	7.1
83.04972	3.2
83.08654	1.8
91.05469	9.2
93.07054	10.7
95.04956	3.9
95.08633	6.0
97.06531	1.7
97.10179	1.2
103.05469	21.3
105.03390	1.4
105.07032	16.0
107.04983	1.7
107.08605	11.3
109.06528	3.6
109.10184	5.6
115.76694	1.1
117.07027	3.1
119.08581	16.9
121.06495	2.3
121.10162	7.7
122.51948	1.0
123.08065	3.0
128.06265	2.1
129.07010	1.9
131.04936	48.2
131.08565	7.6
133.06543	1.6
133.10132	21.4
135.08066	6.0
135.11708	1.2
137.05891	1.1
137.09692	1.1
140.77562	1.0
141.07007	2.2
142.07791	3.4
143.08542	6.8
144.09331	1.3
145.10124	6.9
147.08069	4.7
147.10683	1.1
147.11722	7.1
149.09619	3.4
154.07832	1.2
155.07063	3.9
155.08591	4.0
156.09337	2.4
157.10144	9.6
159.08070	5.5
159.11722	7.1
161.09669	2.7
161.13280	2.0
163.07486	1.7
163.11179	2.6
165.07071	1.9
165.09178	1.4
168.09357	1.4
169.10123	5.2
170.10909	5.3
171.08028	2.6
171.11708	7.8
172.08827	2.8
173.09660	9.2
173.13310	6.2
175.11235	3.8
181.10133	2.1
182.10852	1.4
183.08064	3.0
183.11693	7.4
184.08780	1.3
185.09662	3.0
185.13258	10.0
186.10417	3.6
187.11183	5.8
187.14868	2.0
189.09155	1.3
189.12802	1.3
193.10364	1.8
193.12292	5.1
194.10899	1.5
195.11710	4.0
197.09669	2.4
197.13263	4.8
198.10406	4.7
199.11205	4.2
199.14873	1.5
201.12752	10.4
203.09070	1.0
203.18225	1.2
207.11752	3.2
209.13258	3.8
211.11220	1.6
211.13234	2.9
211.14954	2.5
213.12738	43.6
215.14391	5.1
219.11792	1.5
219.13629	2.2
221.13254	2.3
223.11206	1.8
223.14862	3.8
225.16330	1.5
231.13803	100.0
235.14799	2.6
237.16541	1.4
245.13280	1.4
249.12749	1.3
251.27065	1.2
263.17984	2.2
275.20230	2.0
289.19260	1.2
291.17313	1.8
295.16687	1.8
297.18622	1.4
309.18503	4.0
313.15466	1.3
333.18655	1.4
335.20056	3.9
337.18121	2.0
349.21445	1.6
351.19519	3.0
351.23560	1.4
353.18927	1.6
363.23273	4.1
365.24701	5.0
367.22977	1.3
369.20551	2.3
375.23224	4.7
381.24146	2.2
383.25885	2.1
393.24243	12.3
395.74161	1.2
411.25308	30.2
429.26410	77.9
559.36548	1.5
577.27716	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	577.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.1
53.41925	2.7
55.01864	6.2
55.05511	13.5
57.07070	6.0
63.84694	2.6
67.05511	27.5
69.03439	3.0
69.07072	14.7
69.46765	3.0
71.05003	18.9
76.96610	2.9
79.05490	22.5
79.91886	2.9
81.03423	31.5
81.07051	31.5
83.04992	4.7
83.08636	5.7
85.06532	3.1
87.04433	2.7
88.81953	3.1
91.05490	27.9
93.07044	31.4
95.04967	28.3
95.08620	27.2
97.06520	5.4
97.10174	3.9
98.18770	2.6
99.08070	4.8
101.44118	2.8
105.03394	30.0
105.07042	29.7
107.04958	8.6
107.08603	26.5
109.06509	9.3
109.10164	15.4
110.96378	2.9
111.08072	8.1
115.05453	3.0
117.07042	13.9
119.08574	23.0
121.06496	5.9
121.10158	11.8
123.08096	3.0
123.11694	5.4
125.09632	4.8
128.06219	5.4
129.07034	6.1
131.04939	12.0
131.08582	19.5
133.06496	5.7
133.10126	25.8
133.82307	3.2
135.08093	5.3
135.11732	6.6
141.06987	3.6
143.08589	12.2
145.06464	5.3
145.10117	21.4
147.08043	10.0
147.11676	11.5
149.13263	6.1
151.11182	8.6
155.08580	9.6
156.09364	5.4
157.10141	20.7
159.08046	10.1
159.11708	13.3
161.09650	25.9
161.13281	5.3
163.11176	5.3
167.08589	5.0
168.09334	7.1
169.10126	8.5
170.10982	3.5
171.11693	14.3
173.09625	23.6
173.13277	13.0
175.11198	21.6
179.08618	4.3
180.09431	4.3
181.10123	14.8
182.10904	6.7
183.11710	93.1
184.12405	7.5
185.09711	3.4
185.13283	12.5
187.11206	3.8
187.14813	9.1
189.12776	9.8
193.10188	6.2
195.11697	13.9
197.13271	48.8
199.14798	17.7
201.12762	43.2
204.10129	3.2
207.11720	8.5
208.12340	6.2
209.13283	13.7
211.14810	5.6
215.14360	8.7
217.15726	3.8
219.11612	4.3
221.13249	8.3
223.14845	12.6
235.14865	8.1
237.16412	22.4
249.16447	5.1
251.18057	3.8
255.17450	3.5
261.16434	3.3
265.15820	3.5
265.19235	7.4
267.17502	10.1
268.78873	3.0
275.20151	3.8
279.17352	4.2
289.15726	3.4
291.17740	3.2
291.21094	3.4
293.19012	4.8
299.14825	6.4
307.20407	3.4
317.18973	3.8
333.22281	4.5
335.25739	4.5
349.25168	9.3
359.23688	98.9
377.24762	100.0
395.25861	13.9
416.78781	3.4
481.27130	4.5
545.38184	5.3
559.36383	11.0
577.24109	5.2
577.37817	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.0
55.01880	20.0
55.05494	7.9
56.07927	2.1
67.05508	14.6
69.03445	3.1
69.07046	4.9
69.39072	8.0
69.39491	11.4
79.05502	18.7
80.05761	2.3
81.03416	18.5
81.07055	13.1
83.04965	4.2
83.08622	4.0
91.05479	47.3
93.07019	14.0
95.04961	21.6
95.08592	7.6
103.05482	4.3
105.03397	50.4
105.04462	4.8
105.07032	24.1
107.04964	14.7
107.08591	15.3
109.06516	6.6
109.10165	3.5
114.91458	2.4
115.05463	13.9
116.06242	6.5
117.07015	28.6
119.04983	2.9
119.08584	40.1
120.08913	3.4
121.06483	7.0
121.10136	6.5
128.06253	11.1
129.07010	28.5
130.07788	4.4
131.04900	7.9
131.08583	34.2
133.06487	7.5
133.10130	19.9
135.08063	18.9
135.11716	2.8
141.06960	5.4
142.07773	9.1
143.08549	22.7
144.05646	5.1
144.09314	3.2
145.06488	25.4
145.10132	20.5
147.08054	90.2
147.11691	7.0
149.09616	21.4
153.06999	2.6
155.08528	10.4
156.09343	15.5
157.06439	3.0
157.10135	47.1
158.07237	4.9
158.10695	2.7
159.08058	78.1
159.11691	44.4
160.08466	3.8
160.12050	3.1
161.09619	38.1
161.13283	6.3
162.09889	3.3
163.07542	100.0
163.11153	3.3
165.06972	5.4
166.07793	3.0
169.10176	22.6
170.10886	9.0
171.08066	8.7
171.11691	53.9
173.05965	6.6
173.09648	23.8
173.13275	17.3
174.10323	2.7
175.07550	20.1
175.11197	5.2
175.14771	2.5
177.09123	4.5
180.09300	3.3
181.10085	6.6
183.07999	5.4
183.11699	41.7
185.09650	13.3
185.13278	43.5
187.07585	6.1
187.11185	14.8
187.14801	4.2
189.09099	5.5
189.12753	7.6
191.10593	2.4
193.10281	3.3
193.12291	2.6
194.11060	2.5
195.11699	6.6
197.09656	6.3
197.13283	9.3
199.07434	3.0
199.11177	19.6
201.09102	7.1
201.12758	10.1
203.10666	4.2
203.14267	3.9
206.10962	4.0
207.11703	5.7
208.12321	3.4
209.09633	6.3
209.13214	4.3
211.11206	8.5
213.09232	3.1
213.12740	22.4
215.10759	3.5
217.12219	8.5
219.11769	2.9
219.13715	3.2
221.13118	3.8
223.11226	6.9
223.14735	3.3
225.12701	5.7
227.10678	3.7
229.12245	7.6
231.13844	16.3
233.11635	4.8
233.15282	14.4
235.11287	4.2
237.12709	3.3
239.10622	2.9
241.12286	7.1
243.11699	4.5
243.13858	6.8
245.15401	17.8
247.11115	3.1
247.15097	2.6
249.12590	2.9
255.11586	3.0
259.10876	3.1
259.13275	8.5
260.11908	4.2
261.12585	5.6
261.15030	3.9
263.16611	11.8
269.13223	2.7
272.15659	2.9
273.12338	5.2
273.14911	12.9
275.14212	3.4
276.14777	2.5
278.22754	2.3
285.12698	5.1
287.14136	4.6
289.15820	2.2
291.15973	8.4
300.14816	3.4
301.15649	2.8
307.15503	2.9
311.14105	3.4
312.14944	3.4
313.16187	2.9
315.17361	9.8
316.17978	3.1
317.19016	7.4
327.17407	5.6
329.19089	2.7
331.20691	3.7
333.18500	6.9
343.16949	3.1
345.18350	10.9
347.19995	3.5
357.18533	2.9
359.20074	8.4
363.19479	5.3
375.19495	8.9
376.20163	3.3
377.20880	4.4
379.18973	3.0
387.19562	8.6
389.21204	7.3
391.22571	7.6
401.20993	5.3
405.20581	9.4
407.22195	12.0
408.22394	7.0
409.23532	4.4
418.20435	2.9
419.22159	24.9
423.21780	5.7
436.22037	7.2
437.23175	24.9
455.24005	7.3
542.27716	2.9
545.25653	19.0
559.26221	5.2
559.35284	3.6
577.27802	11.7
602.06458	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	577.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.0
55.01873	17.1
55.05499	7.4
61.68235	2.3
61.74237	2.0
65.03928	3.5
67.05490	8.7
69.03409	6.1
78.38930	2.3
79.05495	15.1
79.96335	1.8
81.03416	11.4
81.07072	13.2
83.04959	7.6
87.68401	1.9
91.05476	40.7
93.07042	12.9
95.04973	18.4
95.08614	9.1
97.06532	2.6
98.21631	3.8
103.05487	13.3
105.03398	40.6
105.04492	3.6
105.07027	24.3
107.04930	6.4
107.08588	12.8
109.06510	5.2
115.05444	11.4
116.06236	5.2
117.07028	25.7
119.04839	2.3
119.08581	35.9
121.06497	6.0
121.10152	5.4
123.08099	3.5
128.06210	8.7
129.07011	24.7
131.04936	21.1
131.08574	30.2
132.05161	2.5
133.06529	2.8
133.10153	18.1
135.08070	15.4
135.11760	2.4
141.06947	5.9
142.07773	10.9
143.08569	20.5
144.05690	3.1
145.06477	20.5
145.10143	24.3
147.04385	2.8
147.08054	79.3
147.11649	5.8
149.09618	12.9
155.06070	2.0
155.08545	10.1
156.05655	2.4
156.09373	13.7
157.10153	37.1
158.07310	2.9
159.08066	65.6
159.11690	39.1
161.05940	2.6
161.09616	32.8
163.07549	100.0
163.11124	3.4
165.07005	2.8
165.09000	2.7
169.10138	15.7
170.10893	11.1
171.08028	6.9
171.11688	53.2
172.08850	2.8
173.05975	7.4
173.09628	25.5
173.13231	16.2
175.07562	11.8
175.11182	6.0
175.14764	2.8
177.09062	2.8
178.07712	2.7
179.08603	2.7
181.10106	7.1
182.10938	4.2
183.08032	5.6
183.11708	31.1
185.09618	10.5
185.13251	38.9
187.07533	5.5
187.11209	11.9
189.09126	4.1
189.12762	5.2
193.10081	5.9
195.08032	2.1
195.11711	7.1
197.09564	7.1
197.11420	1.9
197.13260	5.9
199.11200	19.2
201.09137	6.7
201.12698	9.2
203.10620	2.5
203.14227	4.0
205.10010	2.5
205.12239	5.4
207.11671	6.2
209.09425	2.2
209.13245	4.5
211.11168	9.5
213.09155	3.6
213.12767	24.0
215.10695	5.0
215.14441	2.5
217.10202	3.0
217.12236	6.5
219.11763	3.5
219.13747	2.7
220.12427	2.9
221.13266	6.3
223.11169	6.2
223.14783	3.5
225.12686	7.0
227.10710	3.2
229.12248	6.5
230.10995	2.9
231.11736	4.8
231.13734	14.9
232.12517	3.9
233.13379	3.3
233.15367	12.4
235.11087	4.0
235.14732	3.3
237.12717	3.4
241.12331	3.2
243.13783	6.5
244.12480	2.3
245.09666	2.7
245.15363	18.0
247.11137	3.3
249.12697	3.4
257.13199	3.3
259.13132	9.9
261.14755	3.7
263.14081	2.5
263.16550	6.4
273.14853	6.3
275.14209	3.1
285.12732	3.9
287.14371	3.6
289.14484	2.8
291.15799	9.7
299.14041	2.1
300.15021	2.6
301.15656	4.3
307.15768	3.0
313.15903	2.7
315.17413	8.8
317.18973	5.8
319.16888	2.7
327.17410	2.5
329.18936	5.0
333.18408	4.8
341.18933	5.5
345.18600	10.4
357.18472	5.1
359.19873	7.3
363.19577	5.0
369.18460	2.4
375.19525	5.0
377.20999	3.3
387.19556	7.1
389.20926	4.4
391.22681	7.8
397.31015	3.8
398.31683	2.4
401.21210	5.2
405.20407	7.8
407.22220	8.3
417.21069	2.3
419.22122	18.5
423.21701	5.4
437.23163	24.4
455.24231	3.1
545.25372	20.9
559.26520	4.6
577.27783	11.2
583.02716	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70293	3.1
53.03946	9.2
55.01880	17.5
55.05508	21.3
59.99239	3.5
67.05499	16.7
69.03418	9.2
69.07063	7.1
71.55286	5.7
79.05490	22.6
81.03409	17.3
81.07073	18.1
83.04987	23.7
83.08614	3.8
91.05478	56.4
93.07046	24.4
95.04976	23.4
95.08611	18.1
97.10167	3.3
103.05448	8.6
105.03396	57.6
105.07025	32.1
107.04932	12.0
107.08594	18.8
109.06517	7.8
109.10163	6.8
111.08038	3.6
115.05456	12.4
116.06189	3.6
117.07019	33.7
119.08585	52.5
121.06503	9.9
121.10126	13.0
123.08084	7.7
128.06206	10.6
129.06979	27.2
129.39314	2.8
131.04913	11.7
131.08574	37.4
133.06509	9.2
133.09406	2.6
133.10150	26.8
135.08040	20.0
135.11716	3.2
137.09601	4.0
141.07001	7.8
142.07744	14.2
143.08542	26.3
145.06474	22.4
145.10117	32.3
147.08047	91.4
147.11719	8.9
149.09593	17.6
153.06941	7.3
154.07738	5.1
155.08516	12.6
156.09354	19.0
157.10144	54.6
159.06834	6.8
159.08063	78.0
159.11684	43.4
161.05978	5.5
161.09613	40.7
161.13290	3.8
163.07536	100.0
163.11174	9.1
165.06990	5.9
166.07774	5.8
167.08513	5.6
169.10121	23.9
170.10886	15.2
171.08031	14.4
171.11713	61.1
173.06001	4.2
173.09656	32.9
173.13258	15.1
175.07518	18.6
175.11215	7.1
177.05444	3.8
179.08646	3.5
181.10146	5.7
182.07243	3.1
183.08058	6.9
183.11678	43.9
185.09610	15.3
185.13269	45.9
187.07552	4.3
187.11226	17.8
189.09145	6.9
189.12712	5.5
193.10117	10.5
193.12364	3.5
195.11697	14.4
197.09616	11.8
197.13174	11.0
198.10387	5.6
199.11212	28.4
201.09140	6.3
201.12732	14.0
203.08449	3.9
203.10672	5.3
203.14359	4.8
205.10188	3.8
205.12108	6.4
206.10847	5.0
207.11665	5.2
209.09557	6.4
209.13239	7.6
211.11244	10.9
213.09180	4.0
213.12727	57.1
215.10712	5.8
215.14439	5.7
217.12228	6.4
219.11774	5.8
220.12523	3.9
221.13298	5.7
223.11192	9.4
223.14713	4.3
225.12714	7.1
229.12230	8.9
231.13797	19.0
233.15399	14.4
237.12672	5.2
241.12253	5.0
243.13766	9.4
245.13237	4.7
245.15331	22.2
251.14394	5.3
259.13370	11.8
260.12302	3.2
263.16406	8.6
273.14792	34.2
277.15903	4.8
285.12735	4.3
289.15274	5.4
291.15939	11.6
295.16937	5.7
299.14005	5.2
301.15851	4.8
307.16595	4.1
309.18515	4.5
313.15833	5.6
315.13885	4.9
315.17407	14.7
317.18918	10.7
319.16980	4.3
323.53220	3.5
327.17328	7.6
333.18475	7.1
341.18948	4.1
345.18411	10.3
351.19629	5.8
357.18384	5.4
359.19931	11.4
363.15390	4.0
363.19531	6.2
369.20798	4.8
377.20868	5.4
387.19620	8.1
389.21191	6.7
391.22610	3.8
395.25522	4.5
401.20987	8.1
405.20541	6.3
407.22000	9.4
417.20340	6.1
419.22296	20.5
429.22260	3.9
437.23199	21.5
455.27695	11.0
545.25494	21.2
559.27203	6.2
577.27863	12.5
577.36676	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	577.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01858	2.1
55.05504	4.4
61.22223	0.9
67.05511	6.9
69.03434	15.8
69.07052	1.2
77.30368	0.9
79.05498	4.7
81.03407	5.7
81.07066	4.9
83.04985	4.9
83.27928	0.9
83.55957	0.9
91.05495	7.5
93.07048	5.6
95.04973	5.7
95.08626	6.6
97.06548	1.6
103.05486	2.6
105.03401	2.1
105.07037	7.4
107.05010	1.2
107.08594	4.6
109.06503	1.8
109.10217	1.8
111.08121	1.0
111.20354	0.9
115.05491	1.6
117.07020	2.9
119.08610	7.4
121.06534	1.6
121.10162	3.0
123.08060	1.4
128.06221	2.2
129.07021	3.4
131.04919	3.3
131.08578	5.7
133.10146	5.5
135.08105	1.6
137.09602	1.3
142.07784	1.4
143.08551	5.3
145.06517	1.6
145.10181	2.3
147.08043	3.2
147.11656	1.1
149.02364	2.9
149.09651	2.4
153.06966	1.1
155.08569	2.4
156.09462	1.0
157.10155	3.2
159.08067	1.7
159.11723	2.0
161.09622	8.2
165.06963	5.1
165.09152	2.5
166.07813	1.2
167.08655	1.4
169.10120	3.1
171.08054	1.2
171.11702	3.5
173.09637	2.8
178.07907	1.5
179.08565	3.1
180.09384	3.5
181.10141	3.0
182.07254	1.0
183.11702	3.2
185.09671	4.1
185.13324	1.9
192.09402	1.5
193.10202	1.2
194.07216	1.2
194.10835	1.2
195.08026	1.2
195.11707	4.1
196.08827	1.2
197.09645	5.1
197.13280	1.9
199.11066	2.4
201.12781	1.1
203.08569	1.0
204.09323	1.4
205.10226	1.7
206.10948	1.2
207.10083	1.8
207.11765	2.9
208.08813	2.5
209.09756	2.3
209.13162	1.3
210.10374	1.1
211.11087	1.3
213.12712	1.5
215.08685	2.4
216.09332	2.2
217.10184	4.5
218.10936	1.6
219.08197	1.3
219.11801	2.2
220.12550	1.1
221.13399	1.5
223.11215	13.7
227.08488	0.9
229.10165	3.7
229.12260	1.6
230.10965	3.3
231.11772	3.9
232.12460	1.6
233.09712	1.4
233.13255	3.4
235.11348	1.6
237.09169	1.3
237.12791	3.5
239.08554	1.2
241.10110	1.7
242.10953	1.3
243.11668	4.7
244.12576	2.7
245.09630	2.5
245.13312	4.3
246.10492	1.1
246.14110	1.1
247.11186	3.5
247.14937	1.7
249.12842	1.9
249.16525	1.0
253.10197	2.7
254.10835	1.4
255.11696	5.7
256.12509	2.2
257.09726	1.4
257.13345	3.1
258.10532	2.1
258.14114	2.2
259.11206	2.9
259.14905	2.9
260.11978	2.1
261.12790	3.5
261.16425	1.0
263.10611	1.2
263.14420	1.3
266.10974	1.2
267.11880	3.5
268.12616	2.2
269.09637	1.6
269.13254	3.5
270.10599	1.2
270.14087	2.6
271.11292	2.3
271.14792	2.4
272.12000	1.7
273.09985	1.3
273.12619	6.2
273.15543	1.0
274.13623	1.2
275.14386	3.9
280.12466	2.0
281.09821	1.1
281.13266	2.1
282.10355	1.6
282.14267	1.4
283.11246	5.8
283.14642	1.8
284.11996	3.1
285.12814	3.0
285.16458	4.1
286.13623	1.6
287.14304	7.1
288.15112	1.7
295.11420	2.2
295.14902	3.2
296.11996	2.9
296.15317	1.5
297.12903	7.7
298.13641	6.7
298.16479	1.3
299.10870	1.7
299.14383	4.4
300.14975	1.2
301.12622	1.1
301.15872	3.6
303.14114	1.3
303.17548	2.8
309.12753	8.0
310.13593	2.7
310.16989	1.1
311.14233	8.2
312.15244	3.2
313.12384	0.9
313.15884	20.0
313.19373	0.9
314.12869	1.2
314.16412	2.0
315.13934	1.4
315.17456	2.4
323.14359	9.3
324.15143	4.3
325.15945	6.9
326.16702	4.0
327.13962	1.9
327.17523	4.3
328.18231	2.7
329.15433	3.3
329.18961	1.7
338.16702	7.1
340.18307	1.4
341.15292	3.7
341.19110	6.6
343.16940	2.1
343.20523	7.0
353.19009	19.2
356.17914	4.0
357.18738	1.7
371.20074	22.7
377.24750	1.4
416.19839	1.2
417.20502	1.5
431.22482	5.0
491.24084	1.1
559.36121	1.2
577.27997	100.0
578.28400	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2783
Annotation	Methyl 8,8a-dihydromorellate
Peak:m/z	Relative Intensity
55.01865	0.7
55.05501	1.2
67.05509	3.0
69.03432	2.0
69.07063	0.7
71.04976	0.5
71.55750	0.5
79.05489	1.5
81.03417	1.5
81.07060	2.8
83.04988	1.0
83.08609	0.6
91.05471	2.9
93.07052	2.7
95.04972	2.2
95.08598	2.0
97.06513	0.5
97.10171	0.5
103.05479	1.7
105.03391	1.1
105.07028	2.9
107.08575	1.8
109.06525	0.9
109.10134	0.7
113.81067	0.4
115.05393	0.5
117.07021	1.4
119.08594	2.2
121.06539	1.0
121.10145	1.6
123.08076	1.3
129.07021	1.4
131.04938	3.3
131.08565	2.0
133.06499	0.5
133.10133	2.4
135.08054	0.9
136.01082	0.4
142.07762	0.5
143.08583	1.6
145.06473	0.8
145.10126	1.5
147.08067	1.7
147.11691	1.1
149.09595	0.9
152.06230	0.5
155.08603	0.7
157.10139	1.9
159.08109	1.0
159.11679	2.0
161.09576	1.9
161.13326	0.4
163.07553	1.4
163.11171	0.8
165.07050	0.7
165.09140	0.6
169.10124	1.1
170.10921	0.5
171.08107	0.5
171.11673	1.3
173.09663	1.1
173.13280	0.5
175.07611	0.4
175.11276	0.5
179.08611	0.6
180.09354	0.6
181.10153	0.8
183.11703	1.4
184.12152	0.4
185.09662	1.1
185.13277	1.4
187.11250	0.6
187.14783	0.5
193.10219	0.7
195.11740	1.1
197.09676	1.1
197.13298	0.7
199.11189	0.8
207.10115	0.4
207.11821	0.5
209.09604	0.9
210.10446	0.5
211.11192	0.9
213.12837	1.4
217.10304	0.5
218.11198	0.4
221.13417	0.5
223.11215	1.6
223.14914	0.4
235.14746	0.8
243.11777	0.6
243.13968	0.6
245.13368	0.7
247.11243	0.5
249.12643	0.4
249.16457	0.8
265.16132	0.5
267.17813	0.5
269.13275	0.7
271.11163	0.5
273.12399	0.5
273.14975	0.8
277.16074	0.9
281.13016	0.5
283.10956	0.6
285.16605	0.6
287.14212	0.7
291.17346	0.7
295.17191	0.9
298.13492	0.5
299.14362	0.6
301.16019	0.6
309.12808	0.8
309.18686	1.0
310.13470	0.4
311.14359	0.6
313.15805	2.6
319.16959	0.7
323.14380	0.8
325.15808	0.7
327.13812	0.4
327.17355	0.6
329.15564	0.5
337.18155	0.9
338.16681	0.6
341.19104	1.0
349.23764	0.5
353.19070	2.2
356.17798	0.5
366.19598	0.4
369.20691	1.7
371.20108	2.6
429.22635	0.7
431.22092	1.0
461.29083	0.6
477.22522	27.8
541.35529	0.6
559.36218	1.0
577.27777	100.0
578.27844	1.8
595.28510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.9
55.01881	16.1
67.05503	5.7
68.81685	2.4
69.03413	3.0
69.07077	3.6
79.05477	9.8
81.03428	12.2
81.07035	3.9
91.05487	33.6
93.07040	9.7
95.04962	13.1
95.08601	5.3
97.06510	3.4
103.05477	3.9
105.03394	44.2
105.04500	2.5
105.07026	21.7
107.04973	8.0
107.08581	8.6
109.06552	4.2
115.05453	12.5
115.96436	2.2
116.06237	6.4
116.66665	2.3
117.07021	24.0
119.08577	29.9
121.06520	6.5
121.10117	3.4
123.04412	3.6
126.88791	2.3
128.06219	8.0
129.07011	20.7
131.08568	29.7
133.06494	6.2
133.10115	12.7
135.08041	11.8
141.06961	6.0
142.07797	7.4
143.08572	19.6
145.06512	17.9
145.10114	18.1
147.08054	84.3
147.09242	4.3
147.11749	2.6
149.09607	8.2
153.06982	4.5
155.08589	8.8
156.09372	12.6
157.10150	33.7
159.08067	60.9
159.11684	36.3
161.06018	3.0
161.09598	29.9
161.13264	3.1
163.07545	100.0
165.07053	3.1
167.08589	3.7
168.09312	3.0
169.10188	14.0
170.10936	8.9
171.08038	6.2
171.11685	46.0
173.05997	6.9
173.09622	20.2
173.13194	11.7
175.07584	15.8
175.11206	6.6
179.08522	3.1
181.10117	4.4
183.11703	34.1
185.09587	12.1
185.13239	33.1
187.11183	13.3
189.09094	4.2
189.12682	2.6
191.10617	2.5
193.10103	2.7
195.11725	7.4
197.09677	7.3
197.13293	9.8
198.10513	2.4
199.11208	17.3
201.09158	5.7
201.12752	10.1
203.10701	3.9
203.14378	3.0
207.11809	5.1
209.09659	3.3
211.11243	6.8
213.12724	19.6
214.07852	2.2
215.10774	4.1
215.14549	3.2
217.12236	6.1
219.13846	2.4
221.13196	5.9
223.11244	4.0
225.12648	5.2
227.10596	3.4
229.12209	4.1
231.13821	15.7
233.11662	3.4
233.15247	12.1
235.11201	2.4
235.14961	2.3
237.12761	4.0
239.14246	2.6
241.12154	3.5
243.11623	4.2
243.13914	6.6
245.15379	15.9
248.12099	2.8
251.14336	3.9
259.13290	7.0
263.16547	5.1
273.14999	10.1
285.12512	2.8
287.14090	3.2
289.14636	2.4
291.15903	9.7
300.15237	3.7
301.15915	4.2
307.15353	2.4
315.17535	11.5
317.18939	4.3
327.17389	4.2
329.15201	3.2
329.18820	5.0
333.18387	4.0
341.19043	3.5
345.18445	6.1
350.11002	2.6
357.18423	5.1
359.19995	8.3
363.19226	3.7
375.19537	4.9
377.21182	3.8
379.19312	2.7
387.19498	8.2
389.20959	6.2
391.22333	3.9
401.21173	6.3
405.20505	6.0
407.22086	9.7
411.21518	2.5
419.22034	18.6
423.21286	4.9
437.23291	18.0
455.24277	7.9
545.25562	16.5
559.26825	5.4
577.27527	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	577.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01885	1.4
56.96569	23.5
57.03440	2.0
61.02933	3.7
65.50081	0.7
69.03439	9.4
69.91601	2.7
71.04998	0.9
71.95274	0.8
73.02930	2.4
79.05560	0.7
81.03435	3.9
84.96049	4.7
85.02911	22.0
86.03245	0.8
86.09737	0.7
87.04499	1.4
91.03979	1.6
91.05477	1.3
97.02898	8.9
98.97590	68.0
99.04476	2.1
101.00869	1.2
105.03429	1.0
109.02897	2.3
110.97585	16.7
112.99140	3.1
116.98634	20.4
117.03450	0.7
119.01926	1.3
119.04959	1.2
119.50368	0.7
122.01333	0.7
124.99121	27.2
125.05994	1.2
127.03925	6.7
128.98611	12.3
131.00232	2.7
133.01762	0.7
134.81689	0.7
134.99677	5.2
135.04387	0.7
137.05978	3.6
137.99161	1.2
140.02321	0.7
140.98628	2.2
141.02205	2.1
143.00172	93.2
144.98119	1.4
145.02844	0.9
145.04944	7.3
146.99667	3.8
147.03276	1.3
147.04428	3.0
149.01237	0.9
149.06023	1.1
152.98616	4.8
153.05440	0.9
155.01811	0.7
158.99664	17.2
159.03264	5.2
161.01230	99.4
163.03923	1.4
164.04124	1.6
165.05472	0.7
166.01804	1.6
167.07066	0.9
169.03467	2.0
170.99678	8.8
175.02782	0.9
177.00723	11.6
177.04103	3.3
177.05511	2.6
179.02298	16.1
179.07063	1.2
180.08835	1.2
182.99599	1.1
184.02820	2.0
185.01244	51.1
185.02876	2.7
187.04500	6.7
189.00758	4.7
195.05185	2.3
200.02293	0.8
201.00688	7.9
201.04271	3.9
201.79865	0.7
203.02287	100.0
209.01086	0.9
211.02699	0.9
215.02266	2.9
217.03745	1.2
219.01785	56.0
219.05190	2.4
219.79845	0.7
220.02448	1.7
221.01205	1.1
221.03293	14.3
221.05389	2.8
223.02803	1.1
226.03821	3.0
227.02240	2.4
227.05247	2.6
229.03641	1.1
229.05623	0.9
233.03317	2.0
235.02724	1.4
236.06079	3.0
237.02832	61.2
238.98433	0.8
239.02272	1.9
241.03743	1.3
241.07254	0.7
242.03502	1.1
243.01706	0.9
244.04347	1.2
245.03308	30.8
245.06741	21.9
245.56932	3.1
251.04825	1.2
253.03757	1.9
255.03906	2.9
257.03299	1.2
260.04285	0.9
261.02740	1.3
263.02179	1.2
263.04428	15.1
265.58237	0.8
267.05099	1.1
267.09018	1.9
269.03308	1.7
269.06070	1.4
273.02731	1.3
275.04535	1.1
279.03909	1.1
281.03168	1.3
285.06393	1.9
287.04169	1.1
297.06232	0.9
303.07574	3.4
305.02112	1.3
305.05453	19.3
305.55737	0.9
310.06406	0.8
311.04248	2.2
311.09509	0.7
323.06509	19.4
325.10181	1.0
326.09262	1.9
327.07458	0.9
329.05295	30.1
329.08255	3.1
335.09955	16.6
335.59827	1.3
341.07669	3.6
345.08713	0.7
347.06503	9.8
348.06680	0.8
357.04767	1.9
371.06445	58.0
389.07327	1.9
389.11743	1.1
397.07953	23.7
405.62411	1.3
406.13177	12.2
409.09872	1.9
410.10455	0.7
413.11343	3.2
415.09021	12.7
416.12558	7.8
416.62808	0.9
431.08505	2.4
433.09930	1.3
439.08960	3.0
443.60751	0.7
449.09479	2.3
457.10129	17.1
473.09348	1.9
473.15378	5.4
489.12436	2.8
499.10425	0.9
559.13306	5.4
577.14227	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
53.31057	1.2
55.05516	8.0
57.03442	12.8
57.07078	27.7
67.05508	12.2
69.03429	1.4
69.07070	6.7
71.05012	1.5
71.08634	22.2
79.05489	7.7
81.03423	57.3
81.07058	15.8
83.04986	2.6
83.08617	18.0
85.10192	11.1
89.22193	1.3
91.05486	11.9
93.07019	6.2
95.04972	13.8
95.08615	16.9
97.06511	1.2
97.10173	3.7
98.20790	2.5
99.86457	1.2
105.07045	6.8
107.04958	3.8
107.08620	2.7
109.06532	2.0
109.10147	7.7
111.04443	1.5
111.08096	3.5
117.07019	1.1
119.08585	7.5
121.06528	1.7
121.10164	3.4
123.11694	3.0
127.21522	1.3
129.07018	4.9
131.08589	5.8
133.06471	2.9
133.10120	3.8
137.09564	1.6
139.11195	1.3
142.07854	1.5
147.08060	1.6
147.11693	5.3
149.09604	4.3
157.10123	7.5
165.12788	2.2
169.87968	1.3
175.11282	7.2
176.54108	1.2
193.12242	20.1
205.19032	1.1
211.13335	1.3
249.14830	1.5
257.24860	2.3
267.15924	100.0
313.27365	93.6
313.31204	1.9
415.24005	1.2
474.64093	1.4
505.38892	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08265	0.9
53.03944	1.7
55.05509	3.5
57.03435	1.1
57.07079	2.1
57.51933	0.9
65.03931	1.7
67.05514	6.5
69.07056	3.2
71.04977	1.5
71.55325	1.8
76.13733	1.1
79.05502	12.0
81.07066	35.7
83.04973	1.4
83.08627	1.3
85.06529	1.7
91.05489	9.0
93.07047	8.7
95.04971	1.6
95.08609	12.4
97.06551	2.0
100.03388	1.1
105.07036	10.7
107.08597	14.0
109.06529	16.2
109.10146	5.6
111.08061	1.5
117.07021	3.2
119.08599	13.3
121.06548	1.4
121.10136	8.0
123.08080	2.2
123.11720	5.6
125.09596	1.2
129.06967	1.2
131.08585	6.2
133.10141	10.3
135.08041	5.0
135.11723	6.5
137.09616	1.3
142.07793	1.7
143.08562	4.5
144.09433	1.4
145.10155	7.5
147.08032	1.2
147.11705	5.6
149.09616	3.1
149.13289	1.8
155.08498	2.1
156.09317	1.7
157.10106	5.1
159.11732	8.2
161.09679	2.9
161.13292	4.1
163.11157	1.5
163.14780	1.2
168.61284	1.0
169.10132	1.9
171.11700	5.2
173.09517	1.1
173.13278	5.6
175.11166	1.5
175.14844	3.5
177.12827	1.5
183.11771	2.5
185.13211	4.8
185.14664	1.2
187.11240	1.3
187.14781	3.4
189.16408	3.0
191.14253	1.2
193.12222	1.2
195.11504	1.8
197.13187	1.7
199.14848	4.4
201.12743	1.2
201.16383	3.4
203.17923	2.1
203.30052	1.1
209.13284	1.9
211.14944	1.1
213.16476	1.8
215.17998	3.8
223.14752	2.1
225.16411	1.5
227.14383	2.7
229.19571	4.1
231.17255	1.4
241.15953	1.2
241.19534	1.5
248.10873	1.0
253.19362	1.3
273.22168	3.0
296.48434	1.0
311.23627	1.8
313.25180	1.6
329.24872	3.6
337.25229	1.3
353.28397	3.7
363.26843	4.4
371.29608	1.8
381.27936	16.6
383.29407	1.5
399.28973	100.0
400.29291	1.4
435.32794	1.5
453.33682	4.4
471.34610	4.6
516.40546	7.6
558.35284	1.4
576.42059	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	575.6128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.05264	2.1
55.05513	32.9
57.03429	3.5
57.07079	74.0
58.07407	2.7
61.67522	1.5
67.05510	49.3
68.05836	4.3
69.07074	70.0
70.53724	2.5
70.54084	3.2
71.04997	6.8
71.08637	58.9
72.08934	2.4
79.05495	11.4
80.05846	1.2
81.07064	100.0
82.07382	5.3
83.04986	1.2
83.08623	55.0
84.08930	1.6
85.06551	3.4
85.10187	36.0
87.04456	5.0
91.05462	5.6
93.07057	10.4
95.08614	97.5
96.08909	1.8
97.06557	2.0
97.10178	49.0
98.20698	1.3
99.11739	4.9
105.07041	5.0
106.72417	1.4
107.08586	4.5
109.10163	59.8
110.10458	1.8
111.11730	39.1
113.13300	3.3
116.22015	1.3
118.72874	1.3
119.08574	1.9
121.10144	1.8
123.11725	31.3
124.12035	1.4
125.13281	19.8
127.14828	2.5
131.08556	1.7
133.10153	4.6
137.13255	13.0
139.14803	5.9
151.11195	2.4
151.14809	8.0
153.16356	1.7
156.13606	1.4
159.11786	2.4
165.16368	10.4
179.17975	5.2
186.01471	1.3
193.19516	2.0
235.23953	1.6
239.23581	2.3
240.24283	1.6
291.30502	3.2
301.20145	4.5
302.20370	3.8
305.32111	2.7
313.27362	5.6
314.27783	6.4
319.33603	1.3
361.38327	2.9
459.10211	1.5
481.38800	4.9
482.39276	32.6
496.40796	2.3
540.43530	19.6
557.60242	19.6
575.41254	5.7
575.50049	16.3
575.61108	14.8
585.98529	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.7
55.29691	1.0
57.07065	2.2
62.40598	0.8
67.05505	9.6
69.07069	5.1
71.04990	1.2
79.05493	10.5
81.03394	1.2
81.07058	36.0
81.37996	1.0
83.04963	1.4
83.08613	2.7
85.06541	1.6
85.39102	0.9
91.05470	8.7
93.07038	11.4
94.07339	1.0
95.04959	2.4
95.08607	14.2
97.06471	1.3
97.10149	1.4
98.21493	2.8
105.06512	0.9
105.07047	10.3
107.04961	1.4
107.08591	13.2
109.06515	14.7
109.10165	9.8
117.06977	3.9
119.08585	15.0
120.60915	0.9
121.06546	1.4
121.09442	1.2
121.10157	11.4
123.08094	1.6
123.11697	4.1
125.09579	2.4
125.25454	0.9
128.36198	0.8
129.06981	2.3
131.08591	7.7
133.06479	1.2
133.10132	12.0
135.08067	5.2
135.11696	9.3
137.13226	1.2
142.07820	1.1
143.08585	5.4
145.10120	9.5
147.11694	6.3
149.09601	6.0
149.13229	2.4
151.11172	3.4
154.08672	1.4
155.08514	2.1
156.09315	1.2
157.10124	7.6
159.11700	10.7
161.09630	3.3
161.13225	6.5
163.11151	2.4
169.10132	3.0
170.10912	1.0
171.11627	6.6
173.09752	1.2
173.13239	7.2
175.11177	2.6
175.14856	4.6
177.12750	1.6
177.16331	1.3
182.10693	1.1
183.11642	5.2
185.13326	5.7
187.11092	1.3
187.14859	6.0
189.12776	1.3
189.16383	6.9
193.12250	2.4
195.11656	1.4
196.12331	1.0
197.13272	3.9
199.14789	3.7
201.12758	1.6
201.16377	3.4
203.14294	1.6
209.13222	2.2
211.14824	2.1
212.18201	0.9
213.16348	3.2
215.17946	2.4
217.15839	1.0
223.14877	1.9
225.12823	1.0
225.16333	1.1
227.14268	4.0
227.17949	3.7
229.15900	1.5
229.19576	5.1
235.14774	1.7
239.17976	1.4
241.15836	1.1
245.15292	2.2
251.18053	1.1
253.19461	1.0
255.21056	1.4
259.16940	1.4
271.20499	1.3
273.22089	1.9
293.18906	1.1
293.22473	1.8
295.24039	2.2
302.41003	1.0
311.23636	1.8
329.24783	2.6
331.25986	1.3
335.27191	2.2
337.25201	2.1
353.28558	4.5
363.26816	6.9
371.29221	1.2
381.27866	30.5
383.29108	1.1
399.28943	100.0
435.32520	4.6
453.33844	6.1
471.34393	6.2
503.56949	1.0
516.40552	8.9
576.23346	3.2
576.43134	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	575.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	14.0
55.05496	18.8
57.07066	16.9
61.46938	5.0
63.68771	5.5
67.05516	37.9
69.03420	12.2
69.07054	22.7
69.27052	40.8
79.05505	38.6
81.03410	16.6
81.07064	52.5
83.04990	16.8
83.08607	12.1
85.06538	6.8
87.04463	20.6
91.05489	40.8
93.07046	55.3
93.65041	4.9
95.04965	33.0
95.08615	59.8
97.06518	9.9
97.10160	11.7
99.07470	4.8
99.64940	4.5
105.03398	100.0
105.07039	56.0
107.08605	70.2
109.06506	17.1
109.10153	33.3
115.05447	5.4
117.07027	19.4
119.08586	68.4
121.06563	7.5
121.10148	62.0
123.08077	12.0
123.11693	19.2
128.06171	6.4
129.06992	16.5
131.08556	26.0
133.10139	42.4
135.08049	10.0
135.11694	39.7
137.09572	5.0
137.13261	10.4
139.07449	5.2
143.08551	24.3
145.10172	52.9
147.08055	9.8
147.11707	26.9
149.09622	6.9
149.13286	7.8
151.11258	6.2
157.10126	23.3
159.11713	37.0
161.09613	11.7
161.13231	21.7
161.40112	4.7
163.11235	12.5
167.08502	5.8
169.10071	13.4
171.11684	21.7
173.09605	21.6
173.13252	39.7
175.11220	9.1
175.14813	17.3
177.16321	5.3
183.11702	12.8
185.13315	19.7
187.14819	22.8
189.16408	17.1
197.13286	11.5
199.14796	20.9
201.16394	22.1
203.17821	6.2
209.13292	11.0
211.14873	10.9
213.16379	12.6
215.14392	7.0
215.18011	27.7
217.15991	10.9
225.16435	7.8
227.14348	8.4
227.17935	9.6
229.15985	5.6
229.19550	10.5
231.17490	9.8
233.15448	6.2
237.16461	8.5
239.17972	6.6
243.20940	5.5
245.15344	15.8
247.16945	5.6
253.19357	7.5
267.15808	9.8
268.16141	11.0
293.19070	5.8
295.24258	18.9
363.26877	48.3
381.27856	28.3
417.31769	12.6
435.33194	32.3
453.33768	20.5
485.30582	29.9
485.79410	5.7
503.31497	30.3
504.37546	10.1
539.35077	6.2
557.36304	38.9
575.37695	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.3
53.50817	1.4
54.55244	1.5
55.01873	4.7
55.05514	23.8
57.03438	3.8
57.07077	8.8
65.03959	1.8
67.05505	33.6
68.72559	1.5
69.03426	23.0
69.07071	38.9
70.06568	2.0
70.60123	4.3
70.60500	2.3
71.04986	6.5
71.08628	3.7
73.02938	1.7
79.05493	22.9
81.03419	15.3
81.07061	100.0
83.04969	9.3
83.08623	22.2
85.02910	34.3
85.06548	16.4
87.00836	15.1
91.05482	13.5
93.06475	2.8
93.07054	36.6
95.04953	7.5
95.08611	82.1
97.02904	16.0
97.06550	9.2
97.10159	16.7
99.04465	9.6
99.08106	11.0
103.03950	3.4
103.05489	2.6
103.07269	1.7
105.01887	13.1
105.07037	29.4
107.04952	4.2
107.08600	39.7
109.02885	14.0
109.06521	6.7
109.10162	64.1
111.04460	3.5
111.08079	11.7
111.11716	14.0
113.09646	4.4
115.03979	2.4
117.07005	4.8
119.04913	1.9
119.08591	27.8
121.06519	6.3
121.10153	31.3
123.04449	3.0
123.08087	3.1
123.11710	38.9
125.05970	2.3
125.09641	4.3
125.13273	5.2
127.03932	23.6
127.11195	1.6
129.06961	1.8
131.04930	2.2
131.08571	7.0
133.06502	4.4
133.10118	13.9
135.08072	2.6
135.11691	25.3
137.05983	5.2
137.09579	2.4
137.13257	13.9
141.06894	1.7
142.07791	1.9
143.08586	5.1
145.04985	5.6
145.06480	3.8
145.10110	8.8
147.08052	4.8
147.11671	14.6
149.05910	2.8
149.09637	3.5
149.13261	23.6
151.07529	2.2
151.14830	5.7
155.08531	3.3
156.09386	1.9
157.10078	4.8
158.91736	1.6
159.02910	4.6
159.08067	4.6
159.11710	7.3
161.09595	3.3
161.13271	17.8
163.07521	2.1
163.11177	2.5
163.14813	11.7
165.09181	4.6
165.12737	3.1
165.16425	2.0
167.14313	2.1
169.10143	5.2
170.10893	1.8
171.11720	7.2
173.04497	2.9
173.09651	5.6
173.13235	3.2
175.07541	1.7
175.11195	3.4
175.14816	4.5
177.16422	7.6
179.14291	1.9
181.15880	4.4
183.11699	3.9
185.09695	1.6
185.13333	5.2
187.11159	4.8
189.04036	2.1
189.16400	3.6
191.17978	20.7
194.60602	1.7
195.10202	2.1
195.11887	1.7
197.09621	1.8
199.11263	3.7
201.08916	1.7
201.12704	1.9
203.17998	2.4
205.12299	3.8
205.19604	3.8
207.11772	1.9
207.21138	2.0
209.13382	3.6
209.18945	1.8
211.11430	1.9
213.09064	1.7
213.12715	3.0
215.10713	3.9
217.12254	1.9
217.19531	21.5
223.20740	2.5
225.12859	1.7
225.22134	6.0
231.04933	8.0
233.11676	3.2
235.20595	19.4
247.17068	1.9
249.06128	4.3
251.19765	1.6
251.23648	2.0
253.21646	11.3
273.25775	4.5
291.26791	13.1
309.27914	4.1
327.29004	3.8
351.10519	1.9
363.21774	1.9
395.18051	2.2
419.19031	2.4
447.23792	3.4
465.24774	3.3
485.28989	2.1
503.30417	1.9
539.23114	1.6
575.21912	2.8
575.30597	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	575.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.1
53.03943	2.2
53.29513	0.4
55.01877	2.3
55.05502	1.8
57.03437	0.6
65.03931	0.9
67.05507	5.2
69.03436	3.1
69.07054	1.7
69.50153	3.1
71.05000	1.1
77.03924	1.3
79.05498	6.2
81.03426	5.7
81.07066	4.7
83.04974	2.9
83.08619	0.9
85.02901	1.9
87.00821	0.8
91.05485	9.1
93.07057	5.3
95.01345	0.8
95.04967	8.1
95.08607	9.4
95.60041	0.4
97.02923	0.9
97.06532	1.4
97.07147	0.4
97.10166	0.7
102.04627	0.4
103.05471	38.2
105.01881	0.6
105.03419	0.9
105.04541	0.6
105.07034	12.4
107.04971	3.0
107.08607	4.0
109.02863	0.8
109.06519	5.7
109.10154	1.3
111.11771	0.5
115.05449	2.5
115.36998	0.5
117.07018	4.2
119.04967	1.3
119.08586	11.3
121.06509	3.5
121.10137	2.1
123.04380	1.0
123.08068	5.1
123.11743	1.1
125.05981	1.1
125.09599	0.5
127.03914	1.1
128.06242	2.1
129.07011	3.5
130.07806	1.0
131.04932	100.0
131.08569	6.6
133.06499	8.3
133.10124	8.5
135.04428	0.8
135.08049	7.7
135.11696	1.5
137.05977	1.1
137.09596	1.3
137.13268	0.7
141.06995	1.5
142.07774	3.4
143.08572	5.1
144.09337	1.3
145.06462	3.9
145.10138	6.0
146.07236	0.9
147.08049	9.0
147.11702	3.5
149.05986	4.3
149.09651	3.3
149.13217	0.7
151.07564	5.4
153.06995	1.0
154.07716	0.6
155.05867	0.5
155.08562	3.4
156.09360	4.0
157.10136	9.7
158.07285	0.5
158.10851	0.8
159.08064	15.8
159.11690	4.4
160.08846	1.6
161.05975	14.3
161.09624	6.5
161.13242	2.3
163.07529	4.1
163.11209	1.2
165.06987	0.8
167.08533	1.3
168.09364	1.9
169.06471	0.7
169.10100	2.3
170.10924	3.6
171.08063	2.4
171.11688	6.9
172.08855	2.3
172.12270	0.5
173.06163	0.6
173.09636	16.1
173.13283	4.3
174.10437	4.0
175.07605	2.5
175.11194	16.9
177.05385	0.7
177.09123	2.0
177.12822	0.7
178.07724	1.2
179.07056	3.9
179.08617	1.5
179.10590	0.5
180.09357	1.0
181.06487	0.7
181.10109	1.4
182.07259	0.5
183.08083	2.2
183.11700	5.1
184.08867	1.5
184.12434	0.6
185.09633	9.3
185.13249	4.9
186.10429	3.5
187.07693	2.2
187.11189	42.5
188.11880	0.7
189.09131	3.3
189.12738	21.3
191.06976	0.6
191.10684	1.1
192.09474	0.8
193.10167	1.7
194.10817	0.7
195.08040	1.0
195.11719	2.4
196.08838	1.8
197.09634	2.4
197.13184	1.2
198.10356	2.6
199.07553	1.0
199.11191	4.1
200.11987	0.8
201.09100	3.0
201.12756	7.6
203.10675	11.2
203.14342	1.4
205.08568	1.1
205.10361	0.9
205.12309	1.5
207.11729	1.3
209.09698	1.4
209.13295	1.5
210.10497	0.9
211.11177	4.6
211.14810	0.6
212.08376	0.7
212.12006	0.6
213.09244	0.6
213.12730	12.2
215.10638	4.1
215.14230	0.9
217.10396	0.7
217.12308	1.6
219.11852	1.0
219.13797	1.2
221.09856	0.6
221.13318	0.9
223.11183	1.9
223.14790	0.7
224.11961	0.5
225.12747	1.4
227.10608	1.2
229.12230	9.9
231.10187	1.0
231.13794	16.4
233.09538	0.8
233.15414	0.7
237.12767	0.9
239.10840	0.8
239.14192	0.9
241.12285	2.0
243.10097	0.8
245.11632	0.6
247.13284	20.0
249.12648	0.8
249.14920	3.2
251.14471	0.9
253.12192	0.6
257.11658	0.8
259.13229	4.8
261.12726	0.8
263.10843	0.5
263.14572	1.0
265.12296	1.5
267.13644	0.6
272.12131	0.6
273.12570	1.0
273.25824	0.7
275.12811	1.7
275.20291	0.6
279.14026	0.6
279.17358	0.6
283.13385	1.1
291.13779	0.7
291.26712	1.0
296.31055	0.5
303.13705	0.7
305.17844	0.7
307.13351	0.7
309.14673	0.7
309.27954	0.9
317.15491	1.0
319.13708	0.6
319.16812	2.8
321.14957	0.6
321.18524	1.2
329.15308	0.6
331.16940	0.9
335.16409	0.7
335.19965	0.6
337.18030	1.5
343.16675	0.6
345.18604	1.7
347.16431	3.3
349.14218	0.6
349.18002	1.3
361.17993	3.3
363.19623	1.5
365.17303	2.5
373.17889	2.3
377.17380	3.7
379.19003	1.8
381.20871	0.8
383.18506	2.9
391.18958	6.9
395.18646	0.9
397.20306	0.8
399.21771	0.6
407.18344	0.6
409.20096	15.6
427.21204	11.1
427.26953	0.6
437.19492	0.8
539.24243	1.2
557.25092	3.1
575.26410	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	16.0
54.66029	3.3
55.01873	22.9
55.05501	11.0
57.03428	4.2
65.03922	4.5
67.05521	21.1
67.92499	3.5
68.52660	3.4
69.07055	12.3
71.55254	4.8
77.08450	3.1
79.05500	29.0
81.03416	28.1
81.07061	26.9
83.04972	11.3
83.08598	6.6
85.02905	4.2
91.05499	50.9
93.07054	26.5
95.04969	37.8
95.08610	16.2
97.06511	6.3
103.05484	16.5
105.03401	100.0
105.04469	5.0
105.07037	35.6
107.04927	7.7
107.08598	18.8
109.06530	7.3
109.10178	8.2
113.05994	3.7
114.05737	3.4
115.05441	31.1
117.07021	50.1
118.09422	3.3
119.04943	4.0
119.08598	39.9
121.06496	7.3
121.10122	9.2
123.04413	4.0
123.08069	4.8
128.06209	11.8
129.07010	25.1
130.07739	5.2
131.04945	21.8
131.08571	21.6
131.09384	3.5
133.06496	8.7
133.10132	19.2
135.08063	19.4
141.07037	8.3
142.07759	9.6
143.08574	22.9
145.06491	52.6
145.10158	22.3
145.54533	2.9
147.08054	83.8
147.11668	5.5
149.09601	11.6
155.06148	4.0
155.08562	9.3
156.09328	16.6
157.10124	35.6
159.08069	24.1
159.11748	21.1
161.06009	5.9
161.09618	31.3
161.13226	5.2
163.07555	93.1
163.11162	13.1
167.08502	5.1
168.09349	3.9
169.10127	18.4
170.10953	7.8
171.08009	10.3
171.11687	43.1
171.78056	4.3
173.06023	24.3
173.09602	32.2
173.13239	12.0
175.07605	4.7
175.11195	6.7
177.09172	5.0
179.08617	4.6
181.10104	8.6
182.10860	6.4
183.07991	4.4
183.11705	31.9
185.09621	25.9
185.13210	18.6
187.07466	3.9
187.11166	33.9
187.52933	3.6
189.09105	4.3
193.10115	10.3
194.10925	4.2
195.07947	5.5
195.11745	19.6
197.09595	4.6
197.13219	13.2
199.11264	28.2
201.09050	6.7
201.10973	3.4
201.12747	14.8
205.10249	6.0
205.12172	4.7
206.10966	4.8
207.11613	7.6
208.12517	8.7
209.09573	10.0
209.13254	11.4
211.11182	15.8
213.09038	6.7
213.12755	19.0
215.10666	4.2
217.10222	8.6
217.12120	6.2
219.11777	4.8
221.13324	11.3
223.11205	6.9
223.14854	13.6
225.12773	6.8
227.10649	11.8
227.12703	5.0
229.12238	12.4
231.11804	5.4
231.13759	6.5
233.09676	5.2
233.13399	6.9
235.11153	9.0
235.14932	6.0
237.12746	13.7
237.16467	6.1
239.10658	4.1
239.14349	8.3
244.12399	5.5
245.11584	29.4
245.15453	5.7
247.13300	13.7
249.12700	10.3
249.16612	4.6
251.14584	3.9
251.17911	9.3
256.12408	6.1
259.10956	7.1
259.13348	20.2
260.11984	3.5
261.12634	5.2
261.16568	3.6
261.73117	3.6
263.14252	12.7
265.15979	6.9
267.15936	5.0
269.13318	4.6
271.13486	3.2
273.14978	10.3
273.18478	6.0
274.13495	5.7
275.14359	7.9
275.20197	5.8
277.16022	4.0
279.17410	4.7
283.17062	7.8
287.14163	9.4
289.14636	7.8
299.14020	4.2
301.15961	6.0
303.17358	10.9
305.15344	6.2
305.18994	6.2
313.15854	10.9
314.16605	5.0
315.13745	7.8
315.17374	10.6
317.15369	7.6
317.18997	9.6
319.20438	9.7
329.15274	4.6
329.19055	10.1
333.14697	4.3
333.18304	7.2
343.16635	5.7
345.18484	12.0
347.20154	5.8
349.17941	7.0
357.18570	31.6
361.17813	4.0
373.17880	8.0
375.19583	25.6
377.21399	4.9
385.18011	9.7
387.11774	4.8
387.19516	4.3
389.21179	4.7
391.18921	9.9
393.20584	7.5
403.18857	6.3
405.20795	25.8
407.22086	14.2
411.17874	5.3
417.20630	61.5
423.21503	5.3
425.23172	22.7
435.21725	45.9
453.22800	19.4
539.33862	5.3
543.23834	7.1
557.25079	28.0
557.34528	12.2
575.25977	19.4
575.35522	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	575.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59623	1.3
52.37661	1.4
53.03943	10.1
55.01622	1.9
55.01873	21.3
55.05503	2.9
64.97088	1.6
67.05515	8.4
69.03415	5.9
69.07084	3.5
79.05067	2.1
79.05495	30.4
81.03419	25.0
81.07065	9.5
81.71798	1.6
83.04972	3.8
91.05482	42.6
93.07069	11.7
95.01340	3.1
95.04965	21.9
95.08598	5.0
103.05469	5.5
105.02713	2.9
105.03396	50.0
105.04512	5.3
105.06387	1.9
105.07041	22.0
107.04959	23.5
107.08584	9.6
109.06512	5.9
115.05458	8.6
116.06217	5.3
117.07024	17.9
119.04938	2.1
119.08585	48.2
121.06510	5.6
121.10149	8.0
123.04424	2.2
128.06221	7.4
129.07018	30.6
130.07726	2.8
131.04939	3.7
131.08568	36.4
132.05725	4.1
133.06477	6.0
133.10133	16.9
135.08011	6.4
140.10696	3.2
141.06996	7.9
141.10966	2.1
142.07796	8.1
143.08574	17.0
144.05687	5.3
144.09335	2.9
145.05556	2.2
145.06500	20.6
145.10098	15.9
147.08054	90.3
149.09625	39.6
153.06982	4.1
154.07776	3.3
155.08557	10.6
156.09338	11.1
157.06537	3.5
157.10141	46.4
158.10857	2.4
159.08069	100.0
159.11693	59.6
161.09630	34.9
163.07567	4.7
163.11150	2.7
165.09055	2.4
166.07741	1.6
167.08577	3.9
168.09335	3.4
169.10123	28.7
170.10828	2.4
171.07983	6.2
171.09366	2.0
171.11690	38.1
173.05980	6.0
173.09650	18.9
173.13286	20.7
175.07574	23.5
175.11205	5.0
177.09111	5.1
179.08534	5.0
181.10120	5.5
182.07181	2.4
182.10851	2.0
183.08011	4.1
183.11691	32.2
185.09601	7.1
185.13354	8.8
187.07544	3.4
187.11185	18.2
189.09068	3.8
191.10680	6.1
192.09460	2.6
193.10127	5.6
193.12021	1.8
194.10924	3.1
195.08055	2.1
195.11708	8.9
196.08925	2.9
197.09644	9.7
197.13194	7.4
199.11208	14.4
199.14786	2.0
201.09119	4.8
201.12796	13.9
203.10663	2.9
206.10910	3.3
207.11679	7.4
208.12552	1.9
209.09605	5.0
209.13216	5.9
210.10320	2.0
211.11125	10.5
213.09175	3.2
213.12766	3.9
215.10699	9.9
217.10297	2.7
217.12109	8.0
218.10875	2.1
219.11685	3.8
220.12512	2.9
221.13277	7.2
223.11140	7.6
223.14810	2.5
225.09146	2.9
225.12735	13.0
227.10670	6.7
229.10123	3.1
229.12234	15.7
231.10001	3.0
231.11873	3.6
231.13774	7.1
232.08885	2.4
232.12447	4.9
233.09547	4.2
233.13301	3.7
233.15381	17.7
235.11327	4.1
235.14877	2.6
237.12761	6.4
239.14296	3.3
241.12141	2.5
243.13834	7.4
244.12338	2.2
245.09544	2.2
245.11600	3.1
245.15456	2.1
247.11150	3.0
247.15082	2.1
248.11971	2.2
249.12686	5.9
251.14279	2.7
253.12270	3.6
255.13783	2.7
257.13391	2.4
259.11047	3.2
261.12503	2.3
261.14890	10.6
263.14331	4.9
265.15808	3.0
270.13889	2.0
272.11743	2.1
273.12827	4.5
275.14157	5.0
279.13666	2.6
286.13428	3.1
287.14294	5.4
287.17664	2.5
289.15909	5.3
291.13928	3.4
300.15009	3.0
301.15762	3.3
303.13983	1.9
303.17270	2.4
305.15436	2.2
305.18958	4.8
307.16870	1.7
313.15698	2.6
315.17432	14.7
317.15414	2.7
317.18970	3.3
319.16953	3.4
321.14697	1.9
329.18961	6.7
331.16891	7.2
333.18463	17.6
335.16406	4.0
343.16797	7.4
345.18387	2.4
347.19940	10.9
357.18539	12.1
361.17953	7.3
375.19534	21.5
377.17352	2.4
379.22699	4.1
385.17847	6.2
389.21085	14.4
391.18362	2.7
391.22766	5.9
393.20792	2.7
403.19101	11.0
407.22211	37.5
408.00781	1.9
409.19894	2.6
417.20602	19.5
425.23230	7.4
435.21677	48.0
453.22739	26.0
575.26263	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	575.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10171	5.3
53.03936	6.8
55.01866	9.8
55.05513	13.9
61.02929	7.6
65.03957	4.7
67.05499	45.4
69.03432	43.3
69.07072	35.8
69.61507	32.0
71.04999	12.1
72.88645	5.3
73.06587	6.1
79.05497	43.0
81.03425	28.4
81.07061	65.9
83.04990	46.1
85.02908	42.2
85.06548	16.7
87.04429	8.5
91.05482	39.0
93.07040	51.6
95.04977	65.7
95.08607	21.4
97.02888	28.1
97.06535	59.4
98.20734	7.3
99.04469	24.2
100.07622	9.6
100.11250	15.3
105.07030	78.3
107.04945	11.1
107.08592	30.8
109.02893	13.0
109.06521	41.1
109.10162	13.8
111.04483	7.1
111.08051	5.4
117.07018	24.2
117.72530	5.4
119.04961	10.1
119.08586	34.6
121.06493	44.7
121.10171	15.4
123.04443	15.7
123.08056	12.7
123.11694	6.1
125.06010	65.4
127.03934	17.9
127.07532	14.5
129.07008	7.7
131.08575	34.5
133.06503	15.6
133.10162	15.4
135.04398	7.7
135.08078	18.0
135.11647	8.2
137.05962	46.6
139.07585	5.5
141.06956	6.0
143.07033	62.2
143.08537	17.5
145.06479	11.7
145.07584	8.4
145.10138	100.0
147.08063	13.9
147.11668	8.5
149.06056	5.8
149.09625	11.9
151.07558	14.7
153.05444	10.9
155.08504	7.3
157.10120	11.4
158.07312	8.2
159.08046	15.8
159.11707	44.9
161.06044	6.4
161.09660	13.7
163.07561	14.0
163.11172	41.4
167.07095	7.0
169.10126	21.8
171.08105	6.8
171.11684	7.5
173.09627	67.9
175.07529	11.1
175.11194	7.0
177.09184	6.9
177.12796	11.1
183.11816	9.2
185.09567	9.5
187.07574	8.0
187.11182	77.0
189.12775	7.5
191.10654	38.2
197.09637	19.0
199.11168	8.7
201.12772	5.8
201.64131	5.0
205.12260	66.1
209.11708	50.8
210.14836	11.1
213.12758	6.2
215.10689	67.5
223.13335	8.3
229.12285	6.7
231.10211	6.5
233.11736	68.6
251.12733	64.5
251.14729	5.2
257.11722	17.2
269.13800	22.2
275.12775	11.1
278.28973	6.1
291.19812	5.6
293.14011	5.7
295.11636	6.2
327.13193	7.8
329.13315	5.4
377.15961	31.2
395.17004	38.4
413.18127	42.6
458.95132	5.7
562.00397	6.1
566.42731	6.4
575.25427	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	575.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.8
55.01867	8.4
55.05505	10.3
57.03437	5.1
65.03924	4.3
67.05508	17.9
67.26447	2.9
67.54797	2.8
69.03429	26.0
69.07069	30.3
70.71770	4.0
70.72095	5.4
71.04990	8.2
73.06577	2.8
77.07349	2.7
79.05503	21.9
81.03412	16.8
81.07054	25.4
83.04985	52.4
85.02924	20.1
85.06539	5.5
87.00751	3.0
91.05465	29.5
91.89082	2.9
93.07047	34.5
95.04978	25.6
95.08605	15.0
97.02914	10.5
97.06539	46.2
99.04454	17.2
103.05450	3.9
105.01869	3.4
105.07028	74.7
107.04955	13.0
107.08621	28.4
109.02893	14.9
109.06528	27.9
109.10158	7.7
111.04414	3.5
111.08092	4.3
115.05454	4.2
117.07038	15.7
118.13435	3.2
119.04933	12.3
119.08573	25.8
121.06521	41.7
121.10152	9.7
123.04408	5.2
123.08084	2.8
125.05995	70.2
127.03915	10.7
127.07555	7.3
128.06213	3.2
129.07034	8.6
130.07805	6.8
131.04956	3.2
131.08551	31.1
133.06496	11.2
133.10143	11.3
135.08052	9.0
135.11694	5.9
137.05981	9.8
139.07535	7.3
141.05466	2.7
141.06976	4.4
143.07043	50.7
143.08575	15.3
144.09308	4.5
145.06511	8.1
145.10127	100.0
147.08066	5.5
147.11719	5.5
149.05965	6.1
149.09637	5.8
151.07503	15.4
154.07768	4.6
155.08502	4.9
157.08704	6.3
157.10068	3.7
158.07237	6.8
159.08099	12.1
159.11682	46.7
161.05934	5.1
161.09604	4.0
161.13197	3.4
163.07481	5.4
163.11186	29.9
166.41859	3.0
169.10123	16.5
171.11626	7.1
172.08864	3.9
173.09616	68.3
175.07494	3.8
177.12785	11.6
179.08559	4.9
183.08031	3.3
185.09682	4.2
187.11185	71.6
189.09143	4.2
189.12721	4.4
191.10703	23.3
197.09683	8.0
205.12257	79.5
209.11646	17.0
213.12799	3.9
215.10675	87.3
223.13297	8.7
233.11714	85.6
233.14038	3.1
251.12758	48.8
257.11734	5.1
269.13864	12.9
291.26859	4.6
309.27866	8.1
342.84311	3.1
359.14835	5.7
377.15961	10.3
395.16962	12.8
413.18103	13.1
497.21143	2.9
575.26532	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	574.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83724	0.8
55.05511	8.7
57.03439	4.6
57.07076	27.5
65.03937	1.3
67.05507	39.0
69.07069	8.3
71.04997	17.1
71.08636	20.6
72.48951	0.8
77.10580	0.8
79.05489	9.5
81.07059	63.2
83.04984	2.2
83.08615	10.7
85.06556	6.7
85.10185	12.8
87.04451	3.0
89.93044	0.9
91.05483	13.1
93.07039	7.8
95.08609	21.2
97.06550	2.4
97.10176	4.2
99.11732	1.0
103.07608	1.1
105.07034	6.6
107.08586	6.6
109.06485	1.5
109.10165	11.9
111.08064	0.9
115.67177	0.8
117.07072	1.4
121.10131	2.2
121.16878	0.8
123.11712	13.2
131.08565	1.6
133.10124	9.3
135.11726	2.5
149.13258	2.5
151.11197	6.1
159.11693	2.5
169.12177	1.6
177.12778	1.6
183.13811	3.1
187.13322	3.2
195.13768	1.7
201.14856	1.1
239.23732	2.0
257.17432	1.8
269.17505	5.5
283.26120	1.1
301.20084	20.8
303.32431	0.8
311.77927	0.9
313.27371	28.6
330.29089	1.1
334.64780	1.0
406.25085	1.0
481.38901	100.0
495.40219	4.0
507.40408	3.9
539.43073	53.1
539.49945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17416	3.5
51.55146	4.1
53.03942	10.6
55.01862	11.6
55.05497	15.5
67.05508	19.0
69.03440	29.5
69.07069	30.6
69.63071	17.2
69.63500	7.4
70.00043	4.6
71.04983	13.4
73.02909	4.6
79.05497	30.2
81.03419	31.7
81.07063	37.1
83.04987	51.1
85.02918	31.5
85.06532	5.1
90.57779	4.1
91.05479	27.7
93.07051	44.0
95.04976	37.8
95.08615	19.1
97.02905	20.9
97.06520	43.8
99.04457	25.0
103.05424	6.0
105.07035	65.9
107.04959	21.4
107.08595	24.0
109.02898	19.8
109.06536	28.1
109.10155	4.8
111.04430	11.3
111.08045	6.7
115.05431	5.7
117.07011	12.6
119.04952	19.8
119.08582	27.1
121.06520	55.1
121.10146	10.3
123.04414	4.8
123.08087	11.1
125.02410	7.9
125.05997	55.8
127.03907	17.2
127.07542	7.0
128.06227	9.5
129.07005	10.6
130.07802	7.5
130.74295	3.7
131.04921	8.1
131.08618	26.2
133.06473	13.0
133.10104	13.4
135.04404	10.3
135.08046	12.0
135.11758	7.0
135.21558	3.6
137.06009	24.8
139.07545	9.5
141.06995	6.5
143.07002	30.5
143.08571	18.3
145.05009	10.8
145.06459	23.1
145.10136	82.7
147.04456	5.2
147.08055	13.8
147.11684	9.1
149.05989	7.3
149.09618	5.6
151.07529	16.5
154.07719	7.9
155.08594	11.1
157.06508	5.5
157.08600	8.8
157.10083	14.4
158.07271	13.0
159.08063	20.0
159.11714	43.2
161.05975	8.0
161.09637	12.9
161.13274	4.5
163.07556	10.9
163.11195	57.7
167.07007	4.0
169.08643	9.2
169.10101	19.1
171.08055	8.3
171.11685	11.7
172.08846	5.2
173.09610	66.3
175.07489	7.7
175.11151	6.9
177.12857	5.9
179.08559	10.6
181.10075	7.0
181.12250	7.5
182.07350	4.9
183.07996	6.1
183.11668	7.9
185.09581	8.0
187.07558	5.1
187.11198	64.9
189.09128	8.3
189.12695	6.8
191.10727	24.9
195.08142	5.2
197.09666	23.8
199.07648	7.0
199.11197	12.0
201.09218	9.7
203.07042	4.6
203.10693	9.1
205.12242	44.0
207.12006	5.5
209.09779	6.6
209.11697	15.6
211.11168	10.3
213.09105	6.0
213.12743	13.3
215.10701	79.4
217.08667	5.2
217.12216	6.5
219.10121	6.0
223.13210	5.2
225.12668	8.3
227.10703	9.4
227.12732	8.9
229.12201	6.0
231.10208	6.1
233.11732	100.0
235.11093	4.7
235.13196	5.0
239.10696	5.4
241.12314	5.0
245.11768	11.9
247.13278	4.2
249.11067	6.2
251.12767	57.7
257.11743	6.9
263.12848	22.4
267.12659	12.6
269.13779	11.8
271.13251	4.6
275.12610	6.0
279.12314	13.9
287.12762	4.1
291.12173	4.4
295.13486	5.8
299.12704	6.0
313.14346	5.0
317.13779	12.4
329.13702	7.2
335.14819	4.5
341.13565	15.0
359.14969	19.2
377.15845	22.1
395.17062	19.7
413.17950	17.1
489.21512	8.1
539.21185	4.9
575.24243	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21730	2.3
53.03954	2.7
55.01870	18.3
63.58788	2.3
67.05494	6.5
69.03407	2.8
69.06011	2.6
69.18778	20.8
69.19194	8.9
79.05480	11.2
81.03403	9.6
81.07055	5.3
83.04957	2.8
83.56870	2.6
84.12720	2.4
91.04964	3.1
91.05489	30.3
93.07012	14.1
95.04955	6.7
95.08603	6.6
98.20711	5.5
103.05481	6.8
103.17494	2.2
105.03380	7.1
105.07047	21.1
107.04975	8.5
107.08568	8.6
107.48418	2.4
109.06514	7.0
115.05439	10.8
117.07050	21.1
119.08591	35.0
121.06539	3.7
121.10165	5.7
123.08070	2.9
128.06239	5.8
129.07005	20.6
131.04948	7.2
131.08585	24.9
132.05699	2.8
133.06551	3.7
133.10141	21.5
135.08022	7.9
141.06981	5.7
142.07742	7.6
143.08577	18.5
144.05713	3.4
144.09334	3.4
145.06482	18.3
145.10149	15.9
146.23869	3.1
147.08057	100.0
147.09233	5.1
147.11711	2.9
149.09634	11.5
155.05957	3.0
155.08525	8.6
156.09293	14.3
157.10143	34.6
157.28159	2.5
158.07231	4.3
159.08067	35.0
159.11697	26.4
161.09616	34.6
163.07542	57.8
165.06984	5.3
169.10164	16.0
170.10860	7.3
171.08049	9.0
171.11687	54.2
173.05966	8.4
173.09651	19.9
173.13315	8.6
175.07555	29.3
175.11145	5.6
177.09158	3.6
179.08560	2.7
181.10179	6.6
183.11693	39.6
185.09605	9.2
185.13268	45.6
187.07596	3.8
187.11188	8.5
189.09074	6.8
193.10147	4.4
194.10994	3.2
195.11674	9.7
197.09596	7.6
197.13272	10.2
198.10257	3.0
199.07567	2.5
199.11140	18.7
201.09109	9.8
201.12758	6.5
203.14198	5.6
205.12132	4.3
207.11694	5.1
209.09743	4.8
211.11241	7.7
213.12758	25.0
215.10718	3.2
217.12193	4.4
221.13200	4.1
223.11177	4.2
223.14793	3.7
225.12645	5.3
227.10600	3.5
229.12189	6.6
231.13817	9.8
233.15346	8.8
237.12650	5.1
239.10640	3.0
241.12305	13.1
243.13776	9.6
245.15366	32.3
249.12640	3.5
255.13823	8.1
257.15445	5.2
259.13330	8.1
263.14053	3.3
263.16504	6.3
269.13251	3.9
273.14908	19.7
277.15759	2.8
287.14182	3.5
289.15744	3.1
290.62350	2.7
291.15863	8.2
297.12650	4.4
298.13504	4.7
299.14297	4.1
300.15088	3.9
301.15887	4.2
311.14307	4.8
312.14819	3.8
313.15793	3.2
315.17316	6.5
317.18942	6.6
327.17392	10.4
329.18970	3.7
331.20663	4.2
333.18228	4.3
341.18921	8.1
345.18478	10.5
357.18341	3.5
359.20068	7.7
369.18454	4.5
387.19431	11.3
389.21069	8.8
391.22574	9.6
401.21170	13.4
405.20563	3.7
407.22012	10.0
419.22079	43.6
437.23544	12.3
444.71777	3.1
462.00446	2.6
479.24374	16.8
522.36139	2.8
525.25024	20.0
539.26440	14.9
557.27545	47.3
574.27820	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	574.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95643	1.4
53.03945	4.0
53.50884	1.4
55.05514	16.1
57.03437	11.0
57.07082	9.7
67.05506	8.1
69.03427	2.2
69.07071	15.3
69.55647	9.6
71.04974	1.6
71.08630	4.1
74.35029	1.3
79.05495	6.8
81.03423	47.9
81.07060	11.9
83.05000	2.7
83.08618	22.9
85.10175	2.8
87.04468	21.1
91.05469	10.9
93.07062	6.8
95.04976	16.3
95.08628	4.9
97.06565	1.6
97.10177	10.3
97.25339	1.3
105.03384	15.1
105.07021	6.7
106.03728	2.6
107.04965	3.7
107.08595	4.1
109.06509	3.3
109.10126	2.1
111.08087	3.4
111.11741	2.0
119.08592	6.3
121.10157	4.5
123.08066	1.6
129.07001	4.9
131.08542	5.3
133.10126	3.0
135.11736	1.5
147.11694	5.1
149.13348	1.5
157.10115	5.7
163.11134	1.9
165.12869	1.7
175.11169	5.4
177.31750	1.3
179.99779	1.5
192.99142	1.3
193.12263	14.9
211.13335	2.6
267.15924	100.0
273.37607	1.4
311.25806	54.8
313.27356	2.1
362.22974	1.7
453.97458	1.3
502.30060	3.1
503.37399	39.2
507.55469	1.6
539.39209	2.8
574.39801	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	573.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.2
55.01865	6.9
55.05518	26.9
56.23701	3.7
58.71912	4.3
65.03959	6.2
67.05507	30.4
69.03428	6.6
69.07063	18.6
71.04992	5.5
72.64187	4.1
79.05499	45.1
81.03432	9.5
81.07057	42.2
81.26620	3.8
83.04987	37.7
83.08614	5.0
91.05491	58.8
93.07050	59.4
95.04972	25.6
95.08609	43.0
97.06538	12.0
103.05446	18.4
105.07043	58.3
107.04940	11.1
107.08604	61.7
109.06537	17.2
109.10173	16.9
110.20586	4.3
111.08090	5.6
111.69332	3.5
115.05452	10.3
117.07018	28.8
119.08588	84.4
121.06526	17.8
121.10144	34.0
123.08075	10.1
125.09589	5.7
128.06224	9.9
129.07010	16.5
130.07811	4.6
131.04935	32.3
131.08586	41.3
133.06496	18.0
133.10161	46.9
135.08058	30.0
135.11647	4.6
137.09627	5.7
137.34726	4.1
141.07010	8.7
142.07784	27.3
143.08574	40.3
144.09355	5.4
145.06474	12.8
145.10133	50.9
147.08069	39.4
147.11725	18.5
149.09647	48.6
153.07030	8.0
154.07886	4.9
155.08591	22.0
156.09340	26.6
157.06532	4.4
157.10144	95.4
158.10939	4.1
159.08095	27.7
159.11710	58.2
161.09602	20.5
161.13245	12.8
163.07574	15.8
163.11180	16.5
165.06981	5.0
165.09106	6.4
167.08557	10.4
168.09297	7.8
169.10158	44.7
170.10907	16.0
171.08049	8.5
171.11693	80.1
172.08798	4.4
173.09656	26.4
173.13243	24.5
175.07600	10.5
175.11209	14.3
177.09111	6.4
177.12811	9.3
179.08553	11.4
179.10689	5.6
180.09314	6.1
181.10103	16.5
182.10899	10.1
183.08063	9.2
183.11702	60.5
185.09660	17.0
185.13281	44.1
187.11166	22.2
187.14738	7.1
189.12773	6.9
190.18051	4.0
192.09352	8.2
193.08647	4.8
193.10168	15.8
194.10944	11.5
195.08017	6.4
195.11710	38.3
196.12450	7.1
197.09644	14.6
197.13338	34.1
198.10388	7.1
199.11183	59.0
199.14816	14.1
201.09178	6.0
201.12758	19.3
205.10144	9.3
206.10954	9.2
207.11740	22.7
208.12509	12.0
209.09784	7.3
209.13261	31.6
210.13980	6.9
211.11304	19.7
211.14874	16.5
213.12744	67.6
213.16235	5.5
214.13501	3.8
215.14380	12.7
217.10124	12.4
217.12257	13.0
218.10936	8.4
219.11687	18.3
220.12434	9.3
221.13245	31.8
222.14008	8.8
223.11176	11.9
223.14810	29.1
225.12747	12.2
225.16368	7.0
227.10660	8.6
227.14420	4.9
229.10225	5.5
229.12317	13.5
229.16086	4.8
230.10957	5.7
231.11679	13.7
231.13850	25.7
232.12457	8.7
233.13242	14.5
233.15376	5.9
234.14046	7.1
235.11227	7.6
235.14734	23.0
237.12799	10.9
237.16386	7.4
238.97343	4.0
239.14322	8.6
243.11671	7.7
243.13911	9.6
244.12479	7.9
245.13269	17.3
245.15416	7.9
246.14000	11.3
247.14938	26.3
248.15607	4.6
249.12817	9.7
249.16475	33.6
250.17216	5.5
251.14357	10.8
251.18033	7.2
253.15851	4.4
255.11847	5.1
257.13321	7.3
258.14154	4.4
259.11118	7.8
259.14856	15.5
260.15643	10.3
261.12744	9.0
261.16467	18.4
263.14420	11.3
263.17923	15.8
265.16003	5.0
265.19501	5.8
269.13394	4.6
271.14734	7.2
271.17352	4.4
273.12393	5.3
273.15060	12.3
275.14407	9.2
275.17865	9.1
277.15851	8.6
277.19437	7.9
279.17517	5.7
279.21085	12.2
281.19162	6.0
287.14325	6.1
289.15518	5.2
289.19345	7.0
291.17404	4.2
292.18127	4.5
293.15363	4.7
301.15878	7.1
303.17377	14.8
305.15292	10.4
305.18976	6.9
307.17188	5.4
307.20486	39.1
317.15369	5.0
317.18951	8.0
319.16965	9.3
321.18518	7.7
323.19965	7.0
325.21597	46.6
329.15305	5.9
331.16953	6.2
333.18457	9.2
337.21609	14.7
339.23294	8.7
343.16937	8.1
347.16525	20.4
347.23859	6.1
349.17987	19.2
349.25110	10.5
351.19534	7.5
351.23218	7.1
353.20908	7.6
359.23618	11.9
361.17905	17.1
365.17422	9.8
365.24786	10.5
367.18863	8.6
367.22726	16.7
367.26382	10.6
369.24216	6.6
373.17606	5.3
375.15506	4.9
377.24826	56.8
379.19028	13.5
385.23563	25.2
389.17410	15.5
391.19287	5.7
393.20856	4.5
395.25876	100.0
407.18115	23.0
413.26913	67.4
417.16745	5.9
421.19919	14.6
423.22025	6.9
425.19489	8.9
435.18112	8.7
437.26755	14.7
439.21274	28.0
449.19452	10.3
453.19214	7.2
455.27972	64.5
457.21973	6.7
467.20657	18.1
471.19873	4.6
473.29428	24.7
485.21835	4.7
495.30984	5.7
555.33685	21.2
573.26196	12.3
573.34589	12.3
573.48254	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	573.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95999	1.1
53.03938	1.9
55.01876	1.4
55.05510	2.9
57.07069	4.7
67.05513	8.0
69.03432	4.3
69.07078	2.8
69.52105	6.8
71.04982	1.3
79.05487	9.1
81.03426	26.5
81.07057	9.1
83.04984	4.4
91.05496	12.1
93.07062	10.9
95.04976	19.3
95.08603	12.3
97.06544	2.2
98.98444	2.1
99.08166	1.5
103.05491	2.0
105.03393	2.7
105.07040	16.8
107.04922	5.8
107.08607	17.6
109.06539	4.2
109.10204	3.1
111.08106	1.5
113.05988	1.6
115.05476	2.9
117.07027	5.6
117.07796	1.5
119.08594	13.0
121.06528	5.3
121.10172	1.9
123.08102	2.8
128.06219	4.5
129.07014	4.8
130.07788	2.8
131.04932	9.9
131.08586	12.6
133.06522	4.1
133.10158	11.3
135.08064	8.8
135.52592	1.2
137.09572	1.8
141.07001	3.2
142.07785	5.9
143.08554	12.9
145.06546	1.8
145.10121	17.9
147.08057	6.9
147.11696	3.2
149.09634	1.8
153.07030	2.7
154.07774	4.1
155.08559	8.5
156.09375	7.7
157.10127	22.8
159.08078	5.3
159.11714	8.1
161.09654	15.3
161.13275	1.9
163.11171	4.3
165.07040	1.8
166.07822	1.6
167.08627	3.6
168.09329	6.4
169.10139	100.0
170.10869	3.7
171.08040	2.7
171.11693	25.9
173.09642	16.0
173.13197	6.5
175.11197	20.5
179.08565	4.9
180.09325	3.0
181.10143	6.7
181.27553	1.4
182.10907	2.0
183.11708	83.0
185.09615	1.8
185.13277	10.6
187.11220	7.3
187.14810	3.5
189.12762	6.1
193.10101	4.7
194.10866	2.3
195.11700	18.4
197.09624	2.0
197.13300	9.8
199.11208	13.4
199.14880	2.6
201.12790	3.7
205.10225	2.5
206.10997	2.8
207.11711	7.4
208.12543	2.1
209.13258	15.0
211.11183	1.4
211.14839	4.2
213.12769	6.4
213.16321	2.3
215.14320	2.4
217.10136	1.3
218.10799	1.6
219.11656	3.3
220.12517	2.3
221.13187	7.7
223.14769	10.5
227.14362	1.9
231.13828	3.5
233.13286	3.5
234.13829	1.6
235.11151	1.8
235.14851	4.8
237.12633	2.8
237.16467	4.1
239.14336	1.7
244.12392	1.3
245.13284	1.6
247.14926	1.4
248.15529	2.1
249.16475	3.0
251.18025	3.2
253.16107	1.5
253.19577	1.6
263.18002	4.3
265.15985	1.5
267.17374	1.8
275.17838	2.0
277.16348	2.3
277.19522	11.9
279.17471	2.9
281.15549	1.4
281.18958	4.3
284.65686	1.2
291.17307	3.0
293.19009	10.1
299.20306	1.7
301.19510	1.8
303.16980	1.5
307.17148	1.9
307.20615	5.5
313.27362	9.7
317.19128	9.3
319.17252	1.5
319.20581	7.4
321.22125	7.0
329.22900	1.6
331.20590	8.1
333.18491	3.2
333.22125	2.9
335.20117	3.5
345.22159	34.0
347.23682	7.6
349.21567	11.8
357.22202	15.1
363.23132	12.6
375.23199	33.3
393.19482	2.3
393.24252	30.2
411.25235	4.5
441.81616	1.3
495.30814	1.7
500.12555	1.3
573.39630	2.3
573.48193	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
54.05143	2.0
55.01855	1.8
55.05515	62.6
57.03428	2.0
60.61626	1.7
67.05514	9.3
69.07066	4.2
69.25637	19.3
71.04990	2.6
79.05493	18.3
81.03420	5.4
81.07065	35.9
83.04987	100.0
89.97759	2.1
91.05486	18.7
92.33172	1.7
93.07056	22.3
94.28460	1.8
95.04971	7.9
95.08616	23.8
97.06544	2.4
98.21499	3.9
100.02688	1.8
103.05460	2.6
105.03400	7.7
105.07047	16.1
107.04960	9.0
107.08608	13.8
109.06530	17.5
117.07030	4.2
119.08604	18.5
121.06490	3.4
121.10180	4.8
123.08083	3.6
128.06261	3.5
129.07002	6.8
131.04933	2.7
131.08566	10.9
133.10136	19.2
135.08080	3.1
137.72652	1.8
139.79756	2.1
141.06990	4.8
142.07790	5.2
143.08551	14.2
145.10135	10.7
147.08037	4.5
149.09654	4.6
154.07742	2.4
155.08553	10.2
156.09306	16.8
157.10149	25.6
159.08066	4.4
159.11729	6.0
161.09602	7.5
163.11215	4.6
165.07011	5.2
167.08603	3.4
168.09384	2.4
169.10162	23.2
170.10922	9.1
171.08061	5.1
171.11697	65.0
171.13164	4.3
172.08768	2.1
173.09702	12.1
173.13220	2.3
175.11240	2.3
179.08559	5.4
180.09348	4.0
181.10094	9.1
183.08092	3.4
183.11713	28.0
184.08800	2.9
185.09610	9.5
185.13283	49.5
187.11183	7.4
193.10132	6.9
194.10912	3.4
195.11703	16.6
196.12505	2.6
197.09625	9.9
197.13280	8.7
198.10300	4.4
199.11125	10.5
201.12775	3.3
205.10173	4.9
205.12259	2.4
206.10907	5.4
207.11673	9.1
208.12381	3.0
209.09706	3.7
209.13255	12.4
211.11185	5.4
213.12775	23.4
217.10170	3.8
218.10918	3.3
219.11707	7.1
220.12511	4.7
221.13263	10.6
222.14023	3.1
223.11192	4.7
223.14828	7.5
225.12827	2.5
229.12236	6.2
230.10838	3.1
231.11728	10.6
231.13828	5.7
232.12502	5.3
233.13278	5.5
234.14108	2.7
235.14822	6.5
236.15535	2.1
237.12866	4.9
237.16449	5.3
239.14304	3.1
241.12207	9.3
243.13890	5.0
245.13234	6.3
245.15399	41.7
246.13992	11.1
247.14890	9.0
249.12794	3.3
249.16426	7.7
251.14447	6.1
251.17963	18.0
255.13849	10.4
257.11777	11.9
257.15445	2.0
259.13297	3.6
260.15726	4.4
261.12601	2.5
261.13571	2.5
261.16415	25.9
262.17209	2.4
263.14236	3.9
263.18027	3.8
265.15820	2.2
265.19528	9.4
273.14896	16.2
275.17920	17.8
277.15582	2.1
279.17459	19.7
291.17480	5.6
292.18036	2.0
293.18976	17.2
295.16833	2.2
301.34158	1.8
303.17419	5.6
315.17258	1.9
321.18549	14.5
323.20212	2.4
325.21640	18.3
328.32095	2.1
331.20566	3.0
335.20032	23.3
339.19669	3.4
345.21890	3.8
353.21143	42.3
355.20645	8.1
371.22150	8.1
373.21542	11.9
375.23129	2.5
391.22479	3.7
413.23288	6.6
435.41913	2.5
471.27753	2.0
555.26831	2.1
572.49176	2.1
573.27533	9.6
573.48718	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	573.3064
Annotation	Ganoderic acid H
Peak:m/z	Relative Intensity
53.03937	4.6
55.01874	20.3
55.05502	15.8
57.03423	5.0
65.03938	7.4
67.05495	14.2
69.03432	8.1
69.07055	8.4
69.17417	20.0
69.17849	19.3
71.04989	3.8
74.17689	3.8
79.05495	27.6
81.03413	17.0
81.07073	20.5
83.04978	11.0
83.08648	4.1
85.02881	5.5
91.05486	45.5
93.07060	32.0
95.04979	22.9
95.08598	17.7
97.06540	9.9
103.05474	10.2
105.03401	21.7
105.07043	34.4
107.04959	19.1
107.08604	25.0
109.06504	14.9
109.10149	9.2
109.50959	4.1
111.07948	4.4
113.06047	4.9
115.05451	12.0
117.07004	32.6
119.08589	56.3
121.06497	17.2
121.10176	10.1
128.06227	10.7
129.07004	24.0
131.04932	22.6
131.08574	26.0
133.06473	13.0
133.10141	27.2
135.08054	21.4
141.06964	10.6
142.07785	14.9
143.08571	26.4
145.06532	19.3
145.10109	25.1
147.06938	8.1
147.08054	100.0
147.11732	5.9
148.08369	5.3
149.09605	13.6
155.08536	16.2
156.09344	15.4
157.10139	35.8
158.10582	4.1
159.08023	31.7
159.11716	27.2
161.09605	36.8
163.07544	62.9
165.06961	9.6
165.09084	9.2
166.07751	6.4
167.08580	6.3
168.09215	5.7
169.10141	27.1
170.10820	6.5
171.08054	13.9
171.11676	44.7
172.12062	5.6
173.06009	5.6
173.09628	29.1
173.13274	14.9
175.07552	12.9
175.11142	10.1
177.09081	5.2
179.08592	7.5
179.35060	5.2
180.09360	8.7
181.10112	8.4
182.10880	8.9
183.11703	32.9
184.12413	5.1
185.09665	21.9
185.13266	21.4
187.07590	5.6
187.11197	12.1
187.14809	7.4
191.08524	4.5
192.09404	5.1
193.10052	13.0
194.10918	5.8
195.11754	10.0
196.08723	4.6
197.09618	12.7
197.13261	16.2
199.11172	13.8
199.14832	6.1
201.09024	4.8
201.12755	10.9
205.10229	5.0
209.09666	6.7
209.13220	11.6
211.11240	19.2
213.12704	17.0
215.10765	5.0
215.14345	10.9
217.12271	8.1
219.11687	8.7
219.54329	4.5
221.13208	14.5
223.11150	19.0
225.12740	13.0
227.10759	5.3
227.14363	9.7
229.12212	28.3
230.10799	5.2
231.11748	5.0
231.13831	7.6
233.09636	6.1
233.13268	6.5
234.14056	3.9
235.14824	10.6
237.12811	8.0
243.11595	6.6
243.13770	5.7
245.13278	7.0
245.15465	9.0
247.11134	7.3
247.15007	5.4
249.12781	6.0
251.14308	7.9
259.10962	5.0
260.11935	6.6
261.12784	11.0
263.14316	7.6
269.13239	7.7
270.14090	5.6
271.91461	4.8
272.11917	6.4
273.12665	7.4
275.14517	4.8
275.17844	5.9
284.15515	4.6
297.12582	5.1
299.14261	6.3
300.15063	5.5
303.17157	6.0
308.12479	4.1
313.15857	11.2
315.17548	6.5
323.14490	7.6
327.17468	11.7
328.17953	7.7
329.18936	6.5
331.16684	5.5
338.16901	6.5
343.20496	8.3
345.18564	15.0
347.19873	6.3
353.19058	20.5
361.21677	8.2
363.19684	4.7
363.26788	4.8
371.20142	32.4
377.21146	6.0
379.22479	4.7
389.21182	58.2
405.20828	4.5
406.20706	6.6
407.22144	32.8
425.23560	6.0
431.21841	4.8
434.20340	6.1
435.32523	9.6
447.50247	4.3
449.23355	18.6
452.21652	4.3
467.24210	10.1
524.23077	5.3
537.28564	81.2
538.25201	10.1
555.30444	8.6
556.25677	4.5
573.24506	15.2
573.34399	5.3
573.47681	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	573.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
53.78444	4.2
55.05516	54.9
67.05484	9.1
69.20944	39.5
79.05475	11.9
81.07072	33.4
83.04986	100.0
91.05480	17.1
93.07025	23.6
95.08614	42.2
98.20766	6.3
102.91481	3.3
105.07020	16.7
107.05000	4.0
107.08597	16.3
109.06516	18.0
119.08585	18.0
120.17578	4.6
129.07062	6.6
131.08553	9.4
133.10149	17.5
143.08556	13.3
145.10139	15.4
147.08006	7.3
154.07744	4.4
155.08559	10.0
156.09323	11.9
156.90652	3.8
157.10135	28.9
159.07962	4.7
159.11703	7.2
161.09654	6.9
166.59273	3.9
169.10107	32.4
170.10854	8.7
171.11710	46.7
173.09634	7.9
181.10106	9.8
183.08061	6.4
183.11729	18.9
185.09566	4.4
185.13278	31.5
187.11214	7.0
193.10095	6.0
195.11647	14.1
196.12276	4.4
197.09615	9.0
197.13208	8.7
199.11104	7.3
207.11728	12.7
209.13234	16.8
211.11320	5.3
213.12796	19.8
217.12192	3.9
219.11685	8.7
221.13205	7.1
223.14766	7.2
229.12199	9.8
231.11713	11.9
231.13853	5.5
232.12352	5.2
233.13217	10.3
234.14073	6.5
235.14833	10.0
237.12930	6.4
241.12077	6.8
243.13750	7.3
245.13286	5.9
245.15443	23.1
246.14034	9.9
247.14761	7.2
249.16360	13.4
251.14307	5.8
251.18015	23.2
255.13811	8.7
257.11652	21.5
260.15717	5.6
261.16412	38.8
263.14175	4.3
265.19427	11.5
273.14752	6.6
275.17929	23.2
279.17432	29.6
291.17307	4.8
293.18994	28.1
303.17349	9.5
321.18420	19.7
325.21622	30.6
335.19955	22.5
353.21103	59.2
371.22192	13.1
413.23425	8.7
417.38412	3.9
437.34216	5.1
513.22424	4.3
547.23822	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	573.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
53.22914	2.8
55.01881	3.9
55.05269	3.6
55.05517	64.4
66.75939	2.8
67.05497	14.1
67.28906	2.8
69.03423	6.8
69.07078	6.8
71.04993	4.7
72.03567	3.0
78.91289	3.0
79.05518	20.7
81.03403	3.8
81.07064	30.9
83.04987	100.0
87.79374	2.7
91.05482	33.1
93.07052	30.4
95.04968	13.4
95.08610	32.9
97.02914	3.1
97.06548	5.6
103.05471	21.4
105.03404	4.5
105.07041	38.9
107.04919	7.2
107.08559	16.1
109.06540	25.2
109.10160	6.7
109.44344	2.8
111.08073	12.4
115.05463	7.5
117.07006	16.2
119.04910	4.8
119.08588	38.9
121.06511	9.2
121.10149	9.9
123.04475	3.2
123.08045	7.5
128.06247	9.9
129.07033	14.6
131.04950	39.8
131.08563	23.7
133.06465	16.3
133.10150	19.9
135.08037	11.4
141.07004	7.7
142.07800	7.5
143.08580	26.6
144.09241	3.6
145.06476	9.8
145.10146	23.7
147.08076	10.7
147.11740	4.1
149.09607	12.2
151.07552	4.2
153.06934	5.0
154.07745	3.5
155.08577	20.8
156.09348	16.0
157.10106	45.2
158.07158	3.6
159.08089	20.4
159.11685	21.4
161.05994	21.0
161.09604	7.5
161.13237	3.7
163.07573	13.5
163.11212	4.6
165.06982	8.7
167.08557	8.5
168.09285	5.0
169.10143	42.5
170.10924	15.1
171.08089	12.0
171.11693	64.2
172.08839	4.1
172.12134	3.4
173.09631	25.4
173.13292	8.5
175.07591	5.7
175.11182	5.7
177.09131	8.2
179.08528	7.5
181.10109	11.7
182.40150	3.5
183.08058	7.6
183.11707	55.7
184.08859	5.6
185.09586	15.1
185.13275	51.8
187.07533	7.1
187.11203	21.4
189.05513	6.9
189.09154	7.0
189.12779	4.5
191.08720	4.7
191.10612	4.0
192.09357	5.8
193.10175	10.4
194.10918	4.3
195.11713	21.5
197.09648	17.4
197.13266	11.9
198.10435	4.6
199.07646	4.1
199.11246	17.3
200.12000	6.3
201.09135	13.2
201.12758	15.3
203.10716	4.8
205.10263	7.0
205.12163	6.1
206.10997	8.5
207.11682	11.2
207.13527	3.3
208.12445	5.8
209.09644	3.6
209.13301	12.1
211.11197	11.4
211.14832	4.7
213.09314	3.4
213.12717	37.8
215.10672	10.6
217.08453	6.6
217.10272	7.4
217.12196	7.0
219.11765	8.0
221.13335	16.2
221.15143	3.6
223.11212	7.7
223.14833	12.1
225.12749	6.1
227.10797	5.2
229.12268	20.4
231.09888	4.6
231.11720	9.9
231.13882	12.3
232.12489	6.9
233.13313	11.7
234.13977	3.7
235.11229	3.4
235.14867	10.9
237.12746	9.1
237.16428	4.8
238.15771	3.9
239.10690	4.6
241.12233	9.4
243.13864	8.4
244.12480	3.4
245.13333	6.0
245.15445	24.1
246.14037	10.0
247.11157	3.9
247.15041	6.8
249.12766	4.4
249.16467	9.3
250.17229	4.7
251.14307	8.3
251.18024	19.9
253.12276	4.9
255.13828	6.6
257.11655	31.3
259.13361	9.5
260.11823	4.2
260.15582	9.8
261.12717	4.6
261.16550	26.5
263.18063	4.3
265.19608	9.6
267.13806	3.8
273.14911	11.4
275.17953	22.9
279.17453	22.9
287.14218	3.3
287.17572	3.3
293.19009	27.7
297.73856	3.2
299.10434	3.9
303.14175	4.5
303.17572	11.2
307.26508	3.7
315.17450	3.7
319.17026	4.0
321.18436	12.5
325.21616	22.3
331.16727	10.4
333.18463	3.9
335.16516	3.8
335.20090	22.0
345.18491	4.2
347.16376	4.8
349.17950	5.2
351.19543	5.2
353.21124	42.6
371.22214	7.1
373.17792	4.6
375.19418	6.5
377.17358	5.1
391.18878	8.3
393.19980	3.8
401.17542	4.7
407.18420	5.7
409.19882	3.8
413.23511	4.9
417.17059	3.9
419.18777	9.6
425.19684	8.4
435.17856	6.1
437.19760	16.6
451.21109	4.3
455.20728	17.3
573.25116	30.5
573.33087	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	573.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01867	5.4
55.05265	4.2
55.05515	64.4
57.07072	3.8
57.64540	2.7
63.98809	2.4
65.03963	2.5
67.05518	13.3
69.03430	5.1
69.07061	7.8
79.05501	18.4
81.03442	4.0
81.07062	38.4
83.04490	4.9
83.04990	100.0
83.08617	4.9
91.05494	21.1
93.07053	27.1
95.04983	12.4
95.08620	37.5
97.10178	3.0
103.05477	8.7
105.03382	11.3
105.07034	23.6
107.04974	4.4
107.08595	18.2
109.06527	27.8
109.10162	5.3
111.08099	4.2
115.05475	2.7
117.07010	8.7
119.04948	2.6
119.08581	22.8
121.06532	5.4
121.10154	7.3
123.08109	3.7
128.06226	3.1
129.07019	8.4
131.04950	19.3
131.08583	21.9
133.06462	5.2
133.10139	19.0
135.08066	8.8
141.07039	5.9
142.07841	11.3
143.08566	17.2
145.06509	4.9
145.10155	21.0
147.08017	12.6
149.09650	8.4
150.73346	2.3
153.07011	4.7
154.07808	5.2
155.08589	9.0
156.09389	13.6
157.10144	28.8
159.08041	10.7
159.11639	11.4
161.05927	2.4
161.09633	8.6
163.07565	4.3
163.11163	5.5
165.06979	2.9
166.07811	2.7
167.08606	4.4
168.09331	6.3
169.10133	37.3
170.10890	8.0
171.08086	7.9
171.11711	65.8
173.09651	15.1
173.13284	5.8
175.07573	2.9
175.11151	4.3
177.09100	4.4
179.08600	5.0
179.10698	3.3
180.09366	4.2
181.10182	12.9
182.11009	3.0
183.08131	4.8
183.11717	38.7
184.08981	2.6
184.12247	3.0
185.09660	7.9
185.13278	41.4
187.07585	2.8
187.11189	8.5
189.09026	3.0
189.12637	3.0
191.08424	2.5
191.10655	3.5
192.09261	2.5
193.10130	9.1
193.11987	2.6
194.10971	6.3
195.11740	21.6
196.12593	3.9
197.09651	12.3
197.13249	15.7
198.10362	3.0
199.11166	19.7
201.09061	2.9
201.12785	5.6
203.08655	4.7
203.10666	2.6
205.10213	4.4
206.10820	2.9
207.11703	14.0
208.12477	2.8
209.09654	4.4
209.13234	17.6
210.10370	2.7
211.11194	11.2
211.14815	3.7
213.12779	27.2
214.12981	2.8
215.10760	3.2
217.10307	4.6
217.12186	3.4
218.10904	3.8
219.11728	8.5
220.12480	7.8
221.13281	9.9
222.13963	3.8
223.11151	6.8
223.14838	9.6
225.12788	3.7
229.12222	11.4
230.10791	3.2
231.11729	11.9
231.13840	7.1
232.12439	9.1
233.13324	9.6
235.14861	10.8
236.15646	3.3
237.12764	7.9
237.16486	5.1
241.12239	8.1
243.13828	8.7
245.13268	7.6
245.15437	33.0
246.14011	11.5
247.11050	3.8
247.14833	9.3
248.15387	2.6
249.12830	3.8
249.16429	10.2
251.14351	6.7
251.17990	29.4
255.13904	4.3
257.11694	26.1
259.13290	5.7
260.12653	2.4
260.15723	8.4
261.16473	29.1
263.14166	4.5
263.18094	4.0
265.15671	3.3
265.19522	13.3
273.14883	11.2
275.17899	24.9
275.20255	2.6
279.17429	24.0
291.17331	5.6
293.19028	30.9
295.16858	3.1
303.17334	11.6
321.18613	12.6
323.19882	5.4
325.21622	25.3
331.16962	4.2
335.20004	21.3
353.21094	56.0
371.22086	7.7
373.18042	2.6
379.23013	3.1
381.20212	2.4
389.21185	4.1
395.22052	3.1
407.21848	4.9
413.23267	6.8
435.21606	4.8
453.22449	2.8
455.20465	4.8
529.18561	2.4
555.32880	4.7
573.25970	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	573.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.0
53.03954	2.6
55.01869	4.9
55.05504	5.9
56.96730	1.5
62.58781	1.4
67.05486	5.4
69.03410	3.1
69.07052	6.1
71.55184	2.2
79.05496	8.2
81.03410	7.5
81.07060	8.2
83.04977	6.7
83.08617	1.6
91.05481	19.9
93.03481	1.8
93.07075	9.5
95.04964	9.7
95.08601	5.3
97.06525	1.7
103.05479	49.0
105.03349	2.1
105.04511	2.2
105.07045	18.0
107.04945	4.4
107.08594	7.2
109.06539	4.2
109.10150	2.4
115.05448	5.8
116.06242	2.0
117.07033	12.2
119.04915	1.8
119.08601	24.4
121.06493	6.4
121.10166	3.4
128.06239	8.3
129.06998	10.0
131.04944	100.0
131.08589	14.8
133.06471	7.3
133.10147	13.5
135.08041	4.4
141.06970	6.6
142.07788	4.9
143.08586	19.7
145.06514	11.4
145.10147	12.3
147.08057	16.6
147.11690	3.0
149.09631	4.7
152.06110	2.4
153.07039	2.4
154.07733	2.4
155.08560	7.8
156.09328	9.3
157.06496	3.0
157.10147	21.1
158.07272	2.5
159.08093	23.3
159.11665	10.1
161.05940	2.0
161.09647	45.4
163.07501	4.6
165.06992	1.8
166.07841	2.3
167.08585	5.0
168.09259	4.0
169.06477	4.5
169.10074	7.8
170.10913	3.1
171.08073	10.3
171.11711	21.4
172.08778	2.0
173.06068	3.8
173.09668	11.7
173.13287	4.6
175.07593	4.8
175.11201	2.7
177.09184	2.5
179.08652	2.1
179.10646	3.2
180.09315	2.8
181.06477	2.3
181.10078	6.8
182.07292	2.5
182.11038	2.5
183.08138	4.4
183.11720	18.7
185.09666	11.6
185.13225	13.3
187.07565	10.2
187.11198	8.4
189.09140	4.1
192.09381	2.0
193.10144	4.0
195.11693	5.4
196.08820	4.4
197.09576	5.1
197.13292	5.0
199.11157	8.5
201.09088	3.6
201.12778	8.6
205.10049	3.2
206.10873	2.5
207.11754	4.6
208.12297	1.5
209.09581	3.8
209.13280	3.4
211.11234	15.1
213.12782	8.3
215.14275	4.7
217.10287	2.6
217.12288	4.3
219.11670	2.9
220.12340	1.6
221.09819	2.6
221.13257	3.5
223.11250	7.9
225.12755	1.7
229.10204	2.2
229.12279	23.9
230.10851	2.9
231.11725	4.0
231.13782	4.0
232.12482	1.9
233.13457	2.4
234.14120	1.8
235.14879	2.9
237.12669	4.7
237.16455	2.3
241.12291	2.9
243.11707	3.8
243.13916	3.8
244.12497	1.6
245.13199	3.0
245.15382	3.5
247.13164	3.4
249.12698	3.2
251.14285	2.9
254.10883	2.3
255.11624	3.1
256.12497	4.4
257.13318	3.2
258.10385	2.4
259.11209	2.9
261.12689	3.9
261.16632	2.1
263.14517	3.9
265.16058	2.0
268.09204	2.2
271.14783	2.1
273.09265	1.9
273.12729	7.5
275.14172	2.3
275.17740	1.9
277.15787	2.4
279.17624	1.7
284.15604	1.6
285.12753	3.5
285.16202	2.7
287.14471	4.5
289.15939	3.5
291.17578	2.7
295.14844	1.9
296.12152	1.8
297.12750	2.6
298.13666	3.1
299.14282	4.8
301.15753	4.1
303.17252	2.4
305.15524	2.1
311.14346	4.7
312.15076	2.2
313.15848	7.2
315.13721	2.6
315.17383	2.1
316.14258	1.9
317.15414	19.7
317.18753	3.2
323.14291	2.8
324.14978	2.4
326.16669	2.9
327.17480	5.8
327.51984	1.7
329.15369	3.6
329.18915	2.7
331.17001	6.7
333.18454	1.7
335.16385	3.9
341.15347	3.1
341.19058	6.0
343.20764	4.9
345.18555	6.7
347.20123	2.9
353.18805	3.9
359.19977	6.1
361.21567	4.4
371.20114	24.5
375.19397	2.2
377.21164	1.9
389.21188	35.9
405.20114	1.8
407.22266	23.2
425.23059	6.3
472.26010	1.8
480.95731	1.8
537.26501	2.7
555.26892	4.7
573.28210	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01878	16.1
55.05497	2.1
64.38008	1.6
67.05497	7.2
69.03431	3.4
69.21581	18.6
76.41783	1.7
79.05499	8.6
81.03425	11.4
81.07044	5.2
83.04970	2.4
91.05488	34.4
93.07043	7.3
95.01375	1.9
95.04980	22.2
95.08581	3.4
97.06525	2.8
98.21515	4.1
103.05441	3.9
105.07029	19.1
107.04974	8.5
107.08589	7.8
109.06506	5.9
115.03931	2.6
115.05465	12.1
116.06252	2.6
117.07027	25.0
119.04985	2.4
119.08597	51.5
119.29509	2.0
120.08912	2.5
121.06508	4.2
121.10149	4.4
128.06226	8.2
129.07018	24.9
130.07745	4.1
131.04887	1.7
131.08592	27.0
132.05695	3.9
133.06488	5.6
133.10123	9.2
135.08073	9.2
141.07016	5.0
142.07805	9.2
143.08569	17.1
144.05722	2.3
144.09312	3.2
145.06503	20.3
145.10136	22.6
146.07265	1.9
147.08060	100.0
149.05998	2.4
149.09657	14.1
152.06230	1.8
152.68237	1.8
154.07773	2.7
155.08569	8.5
156.09332	6.9
157.06474	1.8
157.10159	31.6
158.07224	4.3
158.10777	2.3
159.08067	48.3
159.10452	3.0
159.11702	45.0
161.05948	2.8
161.09610	31.9
163.06306	2.5
163.07568	31.7
165.06995	4.6
166.07777	2.6
167.08604	3.6
168.09308	3.5
169.10138	19.5
170.10918	3.5
171.08055	5.9
171.10417	2.6
171.11739	21.5
172.08842	2.7
173.05997	9.0
173.09648	19.3
173.13277	14.6
175.07541	13.9
175.11169	2.7
177.09160	8.6
178.07811	1.9
181.10065	7.5
182.07262	2.2
183.08096	3.3
183.11693	45.3
184.08846	1.9
185.09645	10.8
185.13298	10.8
186.10286	2.2
187.07600	4.0
187.11212	16.4
189.09119	3.0
191.10669	1.9
192.09306	2.9
193.10155	4.9
194.10889	3.7
195.08093	2.5
195.11737	8.5
197.09651	10.5
197.13280	4.6
199.11235	10.3
201.09070	7.9
201.12750	20.3
203.10590	2.7
205.10201	2.7
205.12184	3.0
206.10866	3.8
207.11667	7.2
209.09615	5.4
209.13258	4.3
211.11188	11.6
211.14795	2.2
213.09079	4.0
213.12694	4.7
215.10733	4.8
217.10150	2.4
217.12193	4.7
219.11797	2.8
220.12399	3.0
221.09631	4.3
221.13216	6.6
223.11189	7.0
223.14819	2.5
224.11884	2.4
225.09142	2.5
225.12735	6.0
227.10648	7.7
229.10207	3.2
229.12224	18.2
231.11890	3.6
231.13832	4.0
233.09555	2.1
233.13297	3.2
233.15271	11.2
233.55336	1.9
234.10283	2.5
235.11211	3.6
235.14760	4.2
237.12869	8.8
239.10600	2.8
241.12120	2.5
243.11653	3.3
243.13835	9.2
245.13293	2.5
245.15367	2.6
246.10458	1.9
247.13164	3.5
248.11700	2.5
249.12669	7.0
251.10643	2.2
251.14275	6.2
253.12212	2.1
256.12503	2.1
258.14078	2.8
259.10925	3.5
259.13165	10.2
261.12607	3.6
261.14877	16.9
263.10492	1.8
263.14359	5.5
267.13858	2.3
272.11972	3.6
272.15524	2.2
273.12640	5.6
274.13562	3.2
275.14502	3.6
279.13718	3.0
281.13232	2.2
285.12637	4.9
287.14178	3.2
289.15231	2.7
291.17352	1.8
299.14273	2.5
300.15298	4.0
301.15887	3.9
303.14038	1.9
303.17380	3.5
311.16168	2.0
314.16577	5.5
315.17474	14.2
317.15515	2.0
323.16492	3.0
329.19028	12.1
331.16718	2.3
333.18423	5.6
342.16125	2.7
343.16833	2.6
347.19916	6.7
357.18506	14.4
357.59998	1.8
361.17960	4.2
363.19540	2.5
369.16943	3.2
375.19641	12.6
385.18045	4.8
389.21277	14.8
403.19089	8.4
407.22232	19.9
417.20514	11.6
421.20200	2.0
425.23218	8.8
435.21643	24.7
453.22714	9.1
463.21387	2.1
470.05472	1.8
481.22354	2.4
538.25122	3.9
541.24072	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	573.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01877	16.7
55.05502	3.5
62.41197	1.0
65.03951	1.8
67.05511	5.1
69.03422	4.4
69.13845	1.1
77.03923	1.6
78.27715	1.0
79.05492	12.1
81.03423	12.1
81.07050	6.7
83.04959	3.8
85.02920	1.4
91.05486	39.8
91.72317	1.2
93.07040	9.5
95.01336	1.7
95.04975	18.4
95.08583	3.7
97.06512	1.9
103.05452	5.6
105.03398	24.1
105.06381	1.7
105.07037	20.4
107.04948	7.7
107.08605	7.9
109.06500	6.8
109.10182	1.6
115.05461	12.8
116.06245	5.4
117.07021	24.9
119.04936	2.3
119.08587	44.2
121.06515	6.5
121.10138	5.8
123.08089	2.5
128.06239	7.4
129.07019	25.6
130.07759	3.9
131.04950	4.3
131.08575	28.5
132.05687	3.1
133.06500	6.7
133.10143	13.5
135.08064	8.4
137.09579	1.3
141.06992	5.8
142.07777	7.0
143.08577	17.1
144.05695	2.5
144.09341	4.2
145.06491	20.2
145.10132	19.5
147.08055	100.0
149.05959	1.6
149.09633	12.6
151.07500	1.6
152.06224	1.1
153.07016	2.3
154.07695	2.6
155.08575	9.4
156.09383	7.2
157.06512	2.8
157.10138	32.6
158.07220	2.5
158.10887	1.8
159.08064	65.9
159.11687	30.4
161.05959	3.5
161.09627	24.5
163.07556	54.2
163.11255	3.0
165.06995	3.9
166.07755	2.3
167.08582	3.3
168.09329	4.2
169.07835	1.7
169.10133	24.6
170.10899	4.0
171.08057	6.7
171.11717	22.1
172.08846	3.7
173.06024	4.9
173.09631	32.8
173.13248	9.0
175.07559	15.0
175.11169	3.7
175.14363	1.1
177.09102	3.9
178.07898	1.3
179.08551	3.7
180.09335	2.1
181.10120	4.6
182.10760	1.1
183.08183	5.8
183.11700	36.4
184.08943	1.5
185.09637	12.7
185.13269	15.0
186.10306	3.3
187.07565	4.5
187.11177	15.4
189.09128	5.2
191.10631	4.2
192.09302	2.5
193.08546	1.2
193.10211	5.9
193.12108	1.3
194.10826	2.6
195.11716	7.0
196.08821	2.4
197.09644	12.5
197.13283	5.0
198.10355	2.3
199.07643	1.4
199.11198	14.1
201.09137	11.0
201.12746	17.3
203.08667	2.1
203.10637	3.8
205.10327	2.3
205.12129	2.2
206.10907	3.3
207.11740	5.3
208.12328	1.9
209.09641	6.2
209.13286	3.7
211.11200	13.5
211.14806	1.7
212.11981	1.1
213.09077	4.0
213.12723	8.5
215.10693	9.3
216.09438	1.9
217.10068	3.4
217.12233	3.3
218.10857	2.3
219.08110	1.7
219.11734	2.9
220.12474	2.5
221.09616	2.6
221.13396	8.0
222.10458	1.7
222.14026	1.8
223.11221	9.0
223.14813	2.8
225.09099	1.7
225.12747	4.8
227.10730	7.0
228.09357	1.6
229.10188	2.2
229.12225	17.0
230.10860	1.6
231.09917	2.7
231.11748	3.7
231.13861	4.0
232.12448	3.8
233.09647	2.5
233.13211	3.4
233.15375	6.5
234.14058	1.8
235.11134	3.7
235.14948	2.3
237.12843	6.4
237.16405	1.4
239.10655	4.1
239.14296	3.4
241.12251	2.3
242.10965	2.0
242.13771	1.1
243.11653	3.2
243.13826	7.7
244.12474	2.8
245.09460	2.2
245.11763	4.7
245.15454	2.8
246.10374	3.1
246.14102	1.3
247.11180	2.2
247.13048	2.0
247.15042	2.1
248.12038	1.6
249.12758	4.2
250.13635	1.1
251.10638	1.8
251.14268	3.8
251.18044	1.6
255.13831	2.2
256.12476	2.2
257.11276	1.9
257.13297	3.9
258.10425	1.9
258.14075	2.3
259.11011	2.3
259.13083	6.0
260.11914	3.7
261.12512	2.7
261.14694	8.8
263.10654	1.5
263.14313	4.1
265.12201	1.9
267.13864	2.0
269.09384	1.7
270.10562	1.5
270.13876	1.4
271.10831	1.8
271.13306	2.2
271.15076	1.6
272.11816	1.8
272.15515	1.2
273.12619	3.9
273.15118	2.3
274.13461	2.4
275.14325	3.8
276.11682	1.4
277.11813	1.2
279.13754	2.0
281.12964	2.0
282.14273	1.7
283.11072	2.0
284.12061	1.6
285.12616	5.2
286.13489	2.4
287.14462	2.4
287.17905	2.9
289.14548	4.4
291.13724	3.2
293.15668	1.3
294.09912	1.2
298.13547	2.1
299.14343	5.2
300.15048	4.1
301.15820	4.7
303.13687	2.1
303.17343	2.7
305.18954	2.1
311.14124	1.5
313.12378	1.7
313.15784	6.2
314.16571	2.2
315.14078	1.9
315.17490	14.0
317.15332	4.7
317.18933	2.9
319.13242	1.5
323.16916	1.3
325.15869	3.2
328.14420	2.1
329.15295	2.1
329.18948	9.9
331.16849	3.4
333.18472	9.6
335.16428	3.1
339.17432	2.5
341.15399	2.0
343.16895	6.9
345.18317	1.7
347.16425	1.4
347.19934	5.3
349.18002	2.7
357.18524	14.1
359.16272	3.1
361.17953	6.4
367.18536	1.6
369.16705	1.3
373.17810	3.7
373.21835	1.7
375.15567	1.7
375.19601	14.0
377.17361	1.8
379.22958	1.6
385.17804	5.1
389.21124	15.4
391.18896	4.3
391.23233	2.2
393.20667	2.0
395.18488	2.6
399.19238	2.2
403.18973	7.3
407.22205	10.8
409.20187	3.4
417.20538	10.4
421.20062	4.2
425.23126	2.1
435.21613	22.6
451.21188	2.6
453.22650	8.9
455.20538	2.4
495.23669	3.2
513.24512	2.0
541.23499	1.7
573.25110	9.7
573.34332	2.1
585.20941	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.1
53.03949	2.5
55.01871	2.9
55.05515	6.6
65.03941	1.6
67.05493	7.1
69.03416	2.9
69.07078	2.3
70.46577	0.8
71.05008	1.6
71.56015	0.9
71.56413	1.7
76.06010	0.9
77.03941	1.6
79.05495	8.5
81.03423	4.5
81.07063	5.8
82.78709	1.0
83.04984	5.3
83.08634	1.1
87.42397	1.2
91.05481	11.6
93.07045	8.0
95.04972	12.7
95.08607	4.6
97.02882	1.1
97.10168	1.2
100.96987	0.9
103.04788	2.2
103.05473	46.8
105.03431	1.6
105.07040	16.4
107.04954	3.3
107.08601	7.1
109.06519	3.3
109.10157	2.5
115.05463	4.5
117.07011	7.8
119.04951	1.7
119.08581	19.2
121.02912	1.1
121.06521	4.3
121.10146	3.2
123.04395	1.9
123.08075	2.1
125.06025	1.4
125.38653	1.1
128.06226	2.1
129.07024	4.7
130.07773	1.2
131.04932	100.0
131.08594	10.0
133.06487	6.4
133.10158	7.9
135.08040	5.1
135.11719	1.0
137.09622	1.5
141.06998	2.5
142.07811	4.5
143.08563	8.2
144.09297	1.0
145.06525	4.8
145.10139	8.4
147.08044	9.2
147.11713	2.5
149.06015	2.3
149.09634	4.6
151.07614	1.1
153.07042	1.2
155.08577	4.5
156.09384	4.9
157.10123	11.9
158.07317	1.8
159.08046	10.5
159.11700	7.0
160.08788	1.3
161.05980	10.6
161.09570	5.4
163.07549	6.8
163.11206	2.5
165.06993	1.9
166.07689	1.2
167.08595	3.0
169.10072	4.9
170.10910	3.8
171.08099	4.5
171.11688	14.8
172.08891	3.3
173.06003	2.4
173.09631	13.3
173.13268	4.6
175.07549	4.1
175.11156	5.1
177.05583	1.1
177.09161	5.5
179.07106	1.8
179.08612	2.9
179.10722	1.2
180.09387	2.1
181.10190	2.7
182.07277	1.2
183.08095	3.2
183.11694	10.3
184.08813	2.2
185.09587	6.6
185.13281	8.5
186.10313	2.3
186.13599	1.3
187.07683	3.5
187.11240	3.9
189.05484	3.1
189.09100	3.1
189.10938	0.9
189.12811	2.5
191.07039	1.6
191.08609	1.1
192.09280	1.7
193.10164	3.2
193.12085	1.3
195.08087	1.2
195.11749	4.0
196.08911	1.4
197.09668	4.4
197.13266	3.2
199.07573	1.5
199.11214	7.8
201.09116	26.9
201.12787	5.4
203.08995	1.4
203.10695	5.8
204.09518	1.3
205.10269	1.6
205.12105	1.2
207.11716	2.4
208.12511	1.5
209.09544	3.2
209.13274	2.8
211.11195	5.5
213.09161	3.5
213.12776	9.4
215.08757	1.3
215.10738	2.1
217.08490	1.5
217.10370	2.1
217.12276	3.9
218.10765	1.5
219.11751	2.9
220.12529	2.1
221.13278	2.9
223.11107	2.6
223.14803	1.7
225.09166	1.7
227.10715	3.7
229.08603	1.6
229.12195	10.6
231.10034	1.9
231.11938	1.5
231.13837	2.9
233.09747	1.6
233.13301	1.6
234.10429	1.4
234.13850	1.3
235.11346	1.6
235.14830	2.5
237.09090	1.3
237.12801	2.7
239.10745	2.5
241.12317	2.7
243.11804	2.3
243.13948	2.5
245.11440	1.8
245.13483	1.9
245.15450	1.5
246.14101	1.8
247.11110	2.5
247.13116	1.8
249.12730	1.2
249.16573	1.7
251.14406	2.3
253.12285	2.1
258.14291	1.3
259.15134	1.4
260.12082	1.1
260.15649	2.3
261.16562	2.1
263.14386	2.4
265.12286	1.7
267.13870	1.5
273.14990	4.4
275.14438	2.1
277.12280	1.7
277.15833	1.3
285.12766	1.7
287.14215	1.3
289.12451	2.2
289.15753	2.5
293.15369	1.2
300.15070	1.8
301.16196	1.6
307.16891	1.6
315.17468	1.4
317.15540	1.7
319.13541	1.1
319.17004	4.2
329.15369	2.6
333.18613	1.7
335.16388	2.4
343.16980	3.4
345.18661	1.7
347.16354	3.3
349.17868	1.4
359.16528	1.8
361.18158	6.1
363.15692	2.1
371.16449	3.6
373.17856	1.9
375.19528	2.9
377.17523	3.3
379.19037	3.2
381.17010	2.9
389.17398	4.8
391.19287	1.5
393.20755	2.5
395.18369	1.6
403.19177	2.0
407.18411	9.1
419.18509	1.7
421.20206	3.2
423.21292	1.4
425.19525	20.1
437.19791	1.2
439.21292	2.7
453.22589	2.9
468.17810	1.1
475.27356	1.2
485.21204	1.6
537.31726	1.3
552.32379	1.2
555.24280	2.9
555.33350	3.0
573.24872	91.7
573.33008	3.1
574.25311	1.3
592.12726	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31158	1.3
55.05501	3.2
56.30449	1.0
57.03414	1.3
67.05503	8.0
69.03433	1.4
69.07059	3.5
79.05501	11.7
81.03400	2.2
81.07062	42.7
83.04984	2.5
89.06046	1.3
91.05492	9.2
93.07057	7.7
95.04966	4.8
95.08607	8.3
97.06538	2.5
98.21618	2.1
105.03428	2.7
105.07034	10.9
107.04986	2.1
107.08612	9.5
109.06526	21.7
109.10195	6.9
111.08020	1.2
117.07012	4.2
119.08597	10.1
121.06504	1.3
121.10142	7.1
123.08072	3.5
123.11699	2.5
126.44222	1.1
129.06908	2.1
131.04955	1.7
131.08582	6.7
133.10139	8.3
135.08054	11.3
135.11661	2.7
137.09602	8.8
143.08525	4.4
145.10109	6.0
147.08034	2.1
147.11667	4.5
149.05916	1.8
149.09619	8.6
155.08594	1.6
157.10152	8.9
158.10770	1.1
159.08060	1.4
159.11710	7.4
161.09608	4.5
163.11163	2.9
169.10085	2.4
170.10780	1.2
171.11720	7.4
173.09566	1.2
173.13324	3.0
175.11183	6.4
181.10112	1.4
183.11668	4.1
185.13242	5.3
186.05057	1.2
187.11177	3.3
187.14713	2.5
189.12798	3.4
191.80257	1.2
197.13286	3.3
199.11201	2.4
199.14719	2.2
200.15431	1.7
201.12718	2.6
203.14323	1.2
204.01324	1.2
209.13309	2.3
213.12849	2.4
215.14403	2.8
223.14917	1.3
225.16496	2.2
227.14273	1.7
229.15919	1.4
237.16417	2.5
241.15883	3.1
243.17540	4.0
269.18954	2.0
287.20123	6.9
309.22058	2.5
325.21722	2.4
327.23154	2.5
333.22443	1.3
345.22015	2.9
349.25223	3.0
362.48166	1.4
365.24866	2.6
367.26364	3.3
377.24658	9.1
395.25836	100.0
396.26254	1.6
440.31659	2.6
449.30444	1.6
467.31464	4.5
483.29730	2.2
512.37250	3.3
567.91138	1.3
572.36682	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	572.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31158	1.3
55.05501	3.2
56.30449	1.0
57.03414	1.3
67.05503	8.0
69.03433	1.4
69.07059	3.5
79.05501	11.7
81.03400	2.2
81.07062	42.7
83.04984	2.5
89.06046	1.3
91.05492	9.2
93.07057	7.7
95.04966	4.8
95.08607	8.3
97.06538	2.5
98.21618	2.1
105.03428	2.7
105.07034	10.9
107.04986	2.1
107.08612	9.5
109.06526	21.7
109.10195	6.9
111.08020	1.2
117.07012	4.2
119.08597	10.1
121.06504	1.3
121.10142	7.1
123.08072	3.5
123.11699	2.5
126.44222	1.1
129.06908	2.1
131.04955	1.7
131.08582	6.7
133.10139	8.3
135.08054	11.3
135.11661	2.7
137.09602	8.8
143.08525	4.4
145.10109	6.0
147.08034	2.1
147.11667	4.5
149.05916	1.8
149.09619	8.6
155.08594	1.6
157.10152	8.9
158.10770	1.1
159.08060	1.4
159.11710	7.4
161.09608	4.5
163.11163	2.9
169.10085	2.4
170.10780	1.2
171.11720	7.4
173.09566	1.2
173.13324	3.0
175.11183	6.4
181.10112	1.4
183.11668	4.1
185.13242	5.3
186.05057	1.2
187.11177	3.3
187.14713	2.5
189.12798	3.4
191.80257	1.2
197.13286	3.3
199.11201	2.4
199.14719	2.2
200.15431	1.7
201.12718	2.6
203.14323	1.2
204.01324	1.2
209.13309	2.3
213.12849	2.4
215.14403	2.8
223.14917	1.3
225.16496	2.2
227.14273	1.7
229.15919	1.4
237.16417	2.5
241.15883	3.1
243.17540	4.0
269.18954	2.0
287.20123	6.9
309.22058	2.5
325.21722	2.4
327.23154	2.5
333.22443	1.3
345.22015	2.9
349.25223	3.0
362.48166	1.4
365.24866	2.6
367.26364	3.3
377.24658	9.1
395.25836	100.0
396.26254	1.6
440.31659	2.6
449.30444	1.6
467.31464	4.5
483.29730	2.2
512.37250	3.3
567.91138	1.3
572.36682	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	572.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
56.96580	0.5
57.03440	0.3
57.96321	0.2
61.02925	0.3
69.03434	1.2
69.95532	1.2
70.06599	0.6
70.31113	0.3
71.04984	0.3
73.02939	0.4
75.18664	0.2
79.05503	0.9
81.03423	0.5
81.07083	0.3
85.02912	3.7
86.03238	0.3
91.05489	1.3
93.07048	1.9
95.04975	0.5
97.02914	1.3
97.06550	1.1
98.97569	1.3
99.04461	0.3
101.63550	0.3
103.05485	6.3
107.04963	2.2
109.06469	0.4
110.97613	0.4
116.07142	0.3
116.98622	0.6
117.03404	0.3
119.04966	0.4
120.08115	100.0
121.06528	1.0
121.08447	0.4
122.02683	0.4
127.03905	1.0
131.04948	3.4
133.01981	0.3
133.02855	1.7
133.03764	0.3
135.04456	0.6
136.06204	0.8
137.05992	1.7
139.07692	0.3
144.21271	0.3
145.02855	0.6
145.04974	0.6
147.04410	0.7
149.05983	2.9
157.08647	1.4
157.09824	0.3
158.99750	0.5
159.04521	0.3
163.03891	1.3
165.05460	1.2
166.08650	51.3
167.07053	2.3
167.08972	0.4
175.09732	0.3
177.05486	3.5
181.04955	1.4
182.05365	0.4
197.08116	4.3
203.02293	0.3
209.08112	4.3
213.04387	0.7
219.01727	0.9
227.09166	1.8
231.05214	0.3
237.02788	0.9
304.07297	0.3
360.91150	0.3
363.10382	0.5
363.40591	0.3
375.09467	0.4
404.12814	0.5
531.37860	0.3
535.85028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30681	4.3
53.03950	10.2
55.05512	50.2
55.55268	4.9
57.07067	21.0
67.05504	28.9
69.03420	14.3
69.07077	23.5
69.27943	9.1
69.28340	38.2
71.04977	6.3
71.08625	12.1
74.09721	9.5
79.05500	27.6
81.03416	8.9
81.07063	57.6
83.04988	76.7
83.08620	17.0
85.10159	6.1
89.06030	11.4
91.05482	42.6
91.82731	4.3
93.07048	61.1
95.04976	21.9
95.08609	63.3
97.06523	4.7
97.10149	8.5
105.03377	21.4
105.07039	54.2
107.08603	82.5
109.06525	20.0
109.10162	34.3
111.08060	13.0
117.07021	18.0
119.08588	61.4
121.06482	8.0
121.10149	75.2
123.08065	11.9
123.11705	19.5
125.09626	5.6
128.06223	8.3
129.06992	11.0
131.08548	34.1
133.06520	8.0
133.08588	9.0
133.10136	55.7
135.08067	18.2
135.11684	39.1
137.09630	6.2
142.07802	7.1
143.08638	24.1
145.10135	58.0
147.08072	13.9
147.11681	38.7
149.09599	9.3
149.13278	15.1
151.07590	6.0
155.08571	11.3
157.10130	36.1
159.08115	6.1
159.11694	50.2
161.09584	13.8
161.13219	27.1
163.11180	9.6
163.14807	6.3
167.08577	7.4
169.10121	29.6
170.10887	5.4
171.11667	21.5
173.09654	17.4
173.13243	30.0
175.11209	14.9
175.14818	16.3
177.12697	10.0
177.16438	7.6
179.14250	5.1
181.10201	8.0
183.11647	28.3
185.13264	25.4
187.14890	23.2
189.16429	10.9
195.11772	8.6
197.13219	16.8
199.11176	7.0
199.14789	22.0
201.12852	7.8
201.16418	20.3
203.17950	7.9
205.15866	12.5
207.11859	4.6
209.13283	15.6
211.14838	14.9
213.16373	11.8
215.14349	9.0
215.17950	35.3
217.15903	14.0
221.13271	7.4
223.15021	6.3
225.16402	7.2
226.47253	5.0
227.14340	10.2
227.18057	7.5
229.19499	5.4
231.17448	7.6
233.15356	6.3
237.16341	7.8
239.17891	5.9
241.16039	6.1
241.19499	8.5
243.21271	7.4
243.55913	4.9
251.18042	6.2
253.19644	5.8
277.19516	6.9
295.24265	12.9
311.23447	5.3
335.27200	6.8
353.28546	5.4
363.19861	5.1
363.26932	77.8
375.23090	10.4
381.27829	44.0
395.29373	18.2
413.30521	17.5
417.31732	14.4
435.32654	35.6
453.33716	25.1
463.32117	55.3
481.33185	100.0
513.35669	20.2
517.36359	6.4
535.37958	31.5
547.28857	5.0
553.38672	41.0
565.90948	10.8
571.40271	27.2
571.47699	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	571.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.01870	2.4
55.05518	25.6
57.07069	7.2
67.05500	6.6
69.03427	2.1
69.07075	2.2
70.06604	12.5
71.06907	2.0
71.55004	3.4
79.05500	7.2
81.03442	2.6
81.07062	17.7
83.04991	35.2
88.07632	14.6
89.07973	1.8
91.05484	12.0
93.07040	13.8
95.01373	1.5
95.04974	5.9
95.08612	20.0
97.06557	1.9
99.14101	1.6
102.09202	10.8
103.05476	36.5
103.09521	3.9
105.03410	14.8
105.07035	10.5
106.03754	3.4
107.04955	2.3
107.08598	8.3
109.06532	7.3
109.10161	4.2
117.07059	3.8
119.08585	16.0
121.06509	2.5
121.10166	3.6
123.08116	2.6
129.06996	3.1
131.04938	90.4
131.08560	11.1
131.43620	1.4
133.10158	13.7
135.08061	5.2
141.07043	2.2
142.07822	6.0
143.08543	9.1
145.06523	3.8
145.10158	11.2
147.08080	7.9
149.02364	6.7
149.05997	40.2
149.09662	4.6
150.02643	2.0
150.06337	13.5
155.08617	3.8
156.09338	7.0
157.10150	21.0
159.08113	2.1
159.11697	10.2
161.09633	6.5
163.11191	1.6
165.07022	1.9
167.08583	2.6
169.10156	13.4
170.10902	3.6
171.11699	32.2
173.09657	6.5
173.13341	4.4
175.07590	4.7
175.11203	2.0
179.08566	2.5
180.09311	2.0
181.10129	6.3
182.11049	1.7
183.08142	2.2
183.11708	19.0
185.09589	4.0
185.13240	19.7
187.11206	6.3
193.05014	8.8
193.10217	3.7
193.12140	1.6
194.05333	3.5
194.10936	3.1
195.11674	8.2
197.09689	4.4
197.13342	8.1
199.11223	4.9
201.12737	3.1
204.09460	2.0
205.10207	2.7
207.11768	6.1
208.12512	3.6
209.13301	8.1
211.11212	5.5
211.14896	3.9
213.12737	10.7
217.12277	2.2
219.11751	3.6
220.12477	2.8
221.13272	5.5
223.11229	3.8
223.14847	5.8
225.12798	2.5
229.12244	2.9
231.11743	4.0
231.13902	6.0
233.13303	4.6
233.15384	2.2
234.13974	4.4
235.14804	4.2
236.15703	2.3
237.12733	2.8
237.16470	3.3
239.10619	2.4
243.13797	4.4
245.13335	3.0
245.15445	10.4
246.14027	4.7
247.14882	3.6
249.16417	8.2
251.14284	2.6
251.18030	13.1
256.26382	20.3
257.11798	6.2
257.26669	17.5
260.15521	3.5
261.16455	16.2
263.14252	2.3
265.19550	4.7
267.17419	1.8
273.14987	4.9
275.17978	9.3
279.17456	8.8
281.18695	1.6
293.18997	10.5
297.07797	5.1
298.08041	5.5
303.17484	3.6
311.20032	2.8
315.16953	2.1
321.18484	7.6
323.19653	1.9
325.21744	8.5
335.20068	10.3
339.77945	2.1
341.10223	23.9
341.14011	3.2
342.10571	32.5
353.21204	15.8
371.22458	13.2
377.21179	1.8
405.20792	3.5
423.21713	1.9
502.58685	1.7
571.27551	6.1
571.34631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.7
55.05514	3.6
67.05497	10.0
69.03420	3.3
69.07062	4.9
79.05479	8.1
79.59694	2.5
81.03426	30.5
81.07049	10.5
83.04964	11.6
88.58955	2.9
91.05519	13.4
91.13787	2.9
93.07068	17.2
95.04981	20.8
95.08600	15.9
97.06547	2.8
98.21465	5.4
105.07039	17.7
107.04946	7.3
107.08582	14.3
109.06522	6.8
109.10186	3.7
113.06022	3.3
117.07016	10.1
119.06091	2.7
119.08549	13.5
121.06516	4.3
121.10177	5.5
123.08106	4.7
128.06213	4.0
129.07011	6.2
131.04922	11.6
131.08560	18.0
133.06502	5.6
133.10146	13.6
135.08026	10.4
141.06989	5.0
142.07747	8.1
143.08553	12.2
145.06416	3.6
145.10110	29.2
147.08072	6.2
147.11693	7.0
153.07013	3.3
154.07733	7.2
155.08557	11.3
156.09343	8.1
157.10164	26.6
159.08014	5.6
159.11679	9.6
161.09637	26.6
163.11147	5.0
165.07039	4.2
167.08510	5.0
168.09311	4.3
169.08733	5.5
169.10136	97.5
170.10867	7.8
171.11702	33.8
172.08749	3.1
173.09631	27.8
173.13264	8.8
175.11174	22.1
179.08559	6.6
180.09355	6.0
181.10152	9.8
183.11702	100.0
185.13272	13.5
187.11159	6.3
187.14842	3.6
189.12764	9.1
193.10117	7.2
193.75171	2.9
195.11662	21.7
196.12439	4.5
197.13269	11.2
199.11171	17.0
201.12633	5.0
206.10953	3.5
207.11707	10.0
208.12437	4.1
209.13239	18.0
211.14853	5.3
213.12796	8.4
215.14336	4.2
219.11722	4.1
220.12381	3.9
221.13214	9.2
223.14836	10.7
225.16338	4.1
231.11658	3.2
233.13148	4.1
235.14786	5.9
237.12720	4.2
237.16425	6.8
245.13243	3.8
249.16498	4.6
253.15714	3.4
262.13638	3.2
263.18030	4.4
265.15930	5.4
270.13953	3.1
277.16217	3.6
277.19470	11.9
279.17484	3.6
281.18954	5.5
291.17395	7.0
293.18939	10.6
296.05960	3.2
307.17099	3.8
307.20581	4.3
317.18973	12.7
319.20657	7.9
321.22058	6.7
331.20581	10.5
333.22174	4.1
345.22159	38.9
347.23602	15.0
349.21613	12.8
357.22235	20.0
363.23209	13.9
375.23154	49.7
393.24310	50.1
411.25131	5.3
511.30475	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	571.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.4
55.01853	2.1
55.05512	15.3
56.81626	1.0
58.06568	1.3
62.09940	1.0
64.32764	0.9
67.05495	3.7
69.03413	1.7
69.07073	1.6
70.06586	1.9
71.55399	1.2
79.05081	1.2
79.05495	7.9
79.24226	1.1
81.03409	3.9
81.07061	10.6
83.04984	20.9
84.05418	1.2
88.07625	2.4
91.05494	9.5
93.07054	12.4
95.00527	1.1
95.04964	4.9
95.08607	14.1
102.04737	1.1
102.09187	1.3
103.04797	2.3
103.05476	44.2
105.03375	4.5
105.07039	7.5
107.04977	1.6
107.08604	7.8
109.06515	6.9
109.10132	1.6
115.05470	1.6
117.07015	3.2
119.08582	9.8
121.06532	1.5
121.10140	3.1
121.66380	1.2
123.07992	2.0
123.86237	1.1
128.06177	3.0
129.06985	4.5
131.04935	100.0
131.08617	6.6
133.06499	2.0
133.10138	7.6
135.08087	3.0
141.06963	2.1
142.07773	3.3
143.08574	6.6
145.06468	3.3
145.10146	6.3
147.08041	6.2
147.11678	2.9
149.06003	7.3
149.09615	3.9
154.07774	1.3
155.08539	4.1
156.09332	4.4
157.10133	15.0
159.08054	4.0
159.11713	8.6
161.09660	6.0
163.11122	1.7
165.07007	1.5
167.08609	1.8
169.10120	12.1
170.10829	2.7
171.07997	1.9
171.11699	19.1
173.09668	6.1
173.13239	2.5
175.07530	4.8
177.09174	1.2
179.08533	3.1
181.10095	4.1
182.10823	1.3
183.11687	12.2
185.09621	3.1
185.13263	13.1
187.11209	4.6
189.12776	1.7
192.09253	1.3
193.10075	3.1
193.11937	1.1
194.10973	1.3
195.11743	7.0
197.09656	2.3
197.13249	3.4
199.11157	3.6
199.14719	1.3
201.12741	3.4
203.10629	1.3
206.10953	2.7
207.11658	3.9
208.08965	1.3
208.12364	1.7
209.13304	5.2
209.15076	1.4
211.11125	2.4
211.14743	2.6
213.12778	8.2
215.10576	1.3
215.14380	1.8
217.10175	1.7
217.12123	2.0
218.10797	1.3
219.11722	3.6
221.13228	3.8
221.15295	1.4
222.13818	1.6
223.14835	5.3
225.12776	2.3
229.12271	4.3
231.11676	3.2
231.13829	3.5
233.13234	3.1
233.15353	1.6
234.13960	2.3
235.14833	3.8
237.12685	2.6
237.16325	1.6
239.14282	1.1
243.11578	1.2
243.13860	3.4
245.13171	2.2
245.15392	6.1
246.13963	4.3
247.14896	2.2
249.16513	5.4
251.14204	2.0
251.17953	7.7
256.26407	2.9
257.11716	4.7
257.26675	3.6
260.15482	2.2
261.12610	1.4
261.16562	7.3
262.16919	1.2
263.17908	1.2
265.19574	3.3
267.17392	1.5
273.14841	3.8
275.17993	5.9
276.14987	1.2
277.15817	1.3
279.14044	1.3
279.17346	5.9
281.19052	1.7
293.18930	5.8
303.17438	2.1
311.20029	1.5
321.18512	4.0
325.21661	8.6
335.20081	5.5
335.23550	1.9
336.21143	1.3
339.19583	1.9
341.10303	3.8
341.21188	1.4
342.10565	2.7
353.21274	10.2
359.19916	1.8
361.17715	1.6
363.23181	1.2
371.22232	7.8
377.20993	3.6
405.20514	4.3
553.33661	1.5
565.91156	2.0
571.26526	10.8
571.34271	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	571.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.0
55.01862	5.4
55.05505	18.1
57.03428	3.4
57.07056	8.5
58.06599	8.0
67.05502	17.9
69.03403	9.3
69.07060	5.4
70.06604	19.6
71.08626	4.1
71.55464	2.9
71.55857	3.7
79.05490	17.3
81.03423	31.9
81.07048	22.2
83.04985	22.2
83.08588	3.5
85.02916	3.6
88.07643	18.3
89.07917	5.3
90.73878	3.0
91.05482	20.7
93.07044	24.5
95.04984	23.8
95.08618	24.1
97.06531	3.7
102.09168	12.0
103.05482	7.5
105.03395	30.2
105.07037	32.5
106.03738	4.1
107.04932	11.4
107.08604	18.8
109.06506	13.8
109.10147	9.5
117.07017	14.1
119.04929	3.5
119.08584	42.9
121.06506	9.1
121.10149	10.1
123.08071	4.1
128.06227	4.1
129.07047	7.9
129.61806	3.2
131.04927	18.9
131.08636	24.7
133.06502	3.9
133.10126	23.9
135.08035	8.0
135.11705	4.5
141.07021	4.0
142.07799	10.6
143.08557	23.4
145.06523	6.0
145.10136	24.3
147.08067	27.8
147.11679	10.5
149.02386	5.8
149.05988	47.3
149.09615	7.4
150.06316	19.8
151.07626	3.1
153.07108	4.2
155.08504	10.5
156.09351	9.8
157.10133	39.9
159.08052	19.6
159.11694	26.0
161.09630	66.5
161.13313	3.2
165.02368	3.6
167.08534	5.3
169.10149	27.6
170.10887	9.0
171.08026	7.6
171.11734	30.7
173.09636	23.7
173.13293	21.6
175.11189	12.9
175.14801	4.4
180.09172	4.0
181.10124	13.1
182.11000	3.2
183.11681	31.2
185.09624	10.7
185.13257	27.9
187.11218	13.1
187.14778	4.9
193.04950	7.0
193.10194	5.0
194.10982	4.4
195.11688	15.3
197.09653	4.6
197.13300	17.0
199.11218	6.3
199.14807	5.4
201.12752	14.7
203.14381	8.0
205.10028	3.9
206.10831	5.0
207.11702	11.7
208.12465	8.5
209.13225	14.4
211.11134	4.7
211.14876	6.8
213.12723	10.9
215.14322	3.9
219.11740	4.5
221.13286	12.7
222.14101	5.0
223.11192	5.5
223.14784	20.6
225.16325	4.5
229.12186	8.2
231.11812	7.4
231.13910	4.8
233.13264	4.9
234.10406	3.3
235.14827	8.2
237.12827	5.4
237.16437	9.2
239.14285	4.5
245.15431	4.5
247.11064	3.3
247.14795	5.1
249.16499	6.2
251.14479	6.0
251.17915	15.8
256.26385	27.6
257.26709	24.4
261.12909	3.3
261.16428	11.6
263.14346	4.8
267.17465	4.8
275.17938	5.0
276.15292	4.0
279.17468	6.7
293.18860	5.6
297.07639	4.5
298.07861	4.6
321.18466	5.7
333.22229	5.1
335.23639	39.0
341.10193	24.6
342.10547	31.9
345.22092	40.2
347.20126	4.2
353.21094	7.0
361.21606	6.0
363.23218	53.1
371.22351	4.4
373.21472	19.1
391.22684	49.8
433.23590	5.5
451.24982	4.8
511.26715	23.6
515.54523	3.4
571.26367	3.4
571.34344	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	571.2903
Annotation	Ganoderic acid F
Peak:m/z	Relative Intensity
52.94655	3.7
55.01856	15.5
55.05515	21.2
67.05496	10.5
69.03423	18.3
69.07057	6.8
77.13591	3.9
79.05039	3.1
79.05500	23.9
81.03412	16.8
81.07048	16.5
83.04979	37.1
85.06528	5.0
91.05484	35.1
93.07064	24.1
95.01344	5.6
95.04973	21.5
95.08608	12.7
97.06506	6.5
98.20764	7.1
103.05476	4.6
105.07034	40.5
107.04945	17.8
107.08615	21.4
109.06517	14.1
109.10146	5.8
115.05443	13.0
117.07014	30.5
119.08577	60.0
121.06500	18.2
121.10160	13.6
123.08061	7.9
128.06165	10.1
128.28752	3.9
129.07018	26.8
130.07784	4.7
131.04936	5.2
131.08553	23.0
133.06476	6.6
133.10136	38.6
135.08058	25.8
137.09593	5.6
141.07045	9.9
142.07756	12.2
143.08539	24.7
145.06459	15.4
145.10147	29.0
146.07135	4.2
147.08054	96.9
147.11668	6.8
149.09607	6.2
153.07013	5.4
154.07857	4.5
155.08537	11.6
156.09332	14.6
157.10114	41.0
159.08052	21.6
159.11694	20.5
161.09630	28.1
161.12968	4.3
163.06288	7.6
163.07555	100.0
165.07040	8.4
165.09149	3.8
167.08607	13.7
168.09328	5.1
169.10141	20.1
170.10928	9.1
171.08084	9.2
171.11703	47.3
172.08858	5.1
173.05922	6.9
173.09598	20.2
173.13242	17.3
175.07555	6.0
175.11166	7.8
177.09076	5.9
179.08633	7.7
180.09407	5.7
181.10123	11.8
182.10931	12.6
183.08078	5.1
183.11714	31.7
185.09608	14.8
185.13254	17.7
187.07556	6.1
187.11171	12.2
187.14825	9.4
189.09103	5.5
189.12666	7.0
191.75372	4.2
193.10152	12.5
193.12045	5.0
194.10982	7.6
195.11613	14.6
197.09650	6.9
197.13290	27.3
199.11212	15.3
199.14713	6.6
201.12756	13.5
203.08554	5.6
203.10632	5.1
204.09453	5.0
206.10928	8.8
207.11641	12.0
208.12398	5.0
209.09628	6.5
209.13275	15.0
211.11140	11.7
211.14781	6.6
212.12082	4.5
212.90988	4.6
213.12770	18.7
215.10748	6.6
215.14220	24.7
217.10204	5.1
219.11691	5.5
221.09679	4.3
221.13301	11.4
223.11201	16.0
223.14778	10.3
225.12720	11.2
227.14371	9.1
229.12274	18.8
231.11731	6.2
231.13834	5.3
232.12056	4.2
233.13370	7.5
233.15317	6.6
234.14020	4.5
235.14868	8.0
239.14224	4.1
243.13823	11.6
245.15349	12.1
247.14885	5.0
249.12767	4.5
249.16423	10.1
251.14476	4.5
253.15894	6.7
260.12024	5.7
261.16492	7.9
263.14288	7.2
272.15274	4.8
273.12723	5.0
274.13409	5.8
283.11328	5.5
287.14331	6.5
289.12054	4.3
293.15387	6.2
297.12589	4.5
303.32504	4.0
313.15704	8.3
323.14224	9.6
327.17392	8.0
329.18890	8.5
331.16953	4.5
333.18265	6.0
335.20035	12.8
343.20636	9.0
345.18405	14.9
347.20187	6.3
353.18924	19.5
359.20346	5.9
361.21649	13.8
363.19153	4.5
363.23184	8.4
365.24786	9.4
371.20126	32.0
375.23169	17.3
389.21124	46.2
393.24170	34.2
407.22195	36.6
411.25360	32.3
425.23380	7.3
431.22354	7.4
449.23422	20.4
453.26251	14.2
475.24863	5.7
531.82806	4.3
535.26880	60.4
553.28015	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	571.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92317	2.3
53.03934	6.8
55.01878	18.2
55.05503	10.2
56.62402	2.3
67.05487	8.9
69.03432	11.7
69.07059	10.2
69.28640	15.4
69.29051	5.0
71.04982	3.7
71.92104	2.3
73.39143	2.3
77.63733	2.3
79.05485	21.5
81.03419	20.0
81.07050	11.3
83.04987	15.8
91.05480	44.8
93.07050	21.5
95.01328	33.7
95.04976	23.0
95.08617	12.9
97.06557	5.2
103.05472	21.1
105.03401	36.1
105.07040	41.8
107.04958	11.6
107.08602	19.5
109.06504	14.5
109.10139	9.1
115.05487	17.3
116.06274	6.4
117.07027	30.5
119.04928	5.5
119.08591	46.4
121.06522	10.4
121.10143	7.4
123.08044	5.9
128.06276	14.9
129.07010	28.1
130.07794	3.9
131.04945	46.0
131.08571	32.9
132.05779	4.1
133.06505	9.6
133.10149	30.8
135.08043	16.3
137.09584	4.2
141.06995	8.8
142.07793	13.7
143.08571	38.6
144.09357	2.9
145.06509	23.8
145.10121	26.2
147.08054	100.0
147.11740	5.0
149.09657	13.6
151.03864	3.1
151.07466	3.6
153.05515	2.5
153.06958	5.1
154.07767	3.4
155.06001	4.2
155.08574	12.9
156.09370	27.5
157.06490	6.0
157.10126	42.8
158.07283	4.1
159.08064	53.8
159.11679	13.8
161.06004	7.5
161.09641	51.0
163.07550	23.6
163.11237	4.1
165.07002	7.3
165.09094	7.3
166.07788	8.3
167.08546	12.9
168.09364	4.9
169.06511	3.6
169.10130	17.1
170.07326	3.1
170.10870	14.3
171.08073	29.2
171.11699	68.3
172.08832	4.4
173.05998	8.7
173.09650	35.1
173.13231	5.7
175.07564	28.0
175.11200	8.2
177.05470	3.9
177.09163	5.9
179.07050	9.0
179.08578	7.5
179.10680	9.5
180.09375	6.7
181.10172	15.2
182.10904	5.7
183.08092	10.1
183.11700	31.8
184.08864	6.8
185.09653	28.4
185.13293	44.1
187.07538	8.8
187.11240	11.3
189.05455	3.3
189.09073	8.6
189.12877	4.6
191.10666	6.9
192.09315	3.6
193.10208	14.9
194.10907	5.0
195.08078	5.7
195.11707	17.1
196.08951	2.8
197.09641	22.1
197.13274	13.2
198.10428	9.9
199.07535	4.9
199.11200	40.6
200.11996	9.2
201.09099	10.6
201.12779	6.9
202.07619	2.9
203.06956	3.3
203.08751	3.1
203.10716	9.2
205.10208	5.8
206.10957	6.0
207.11679	11.2
208.08818	4.0
208.12450	4.1
209.09654	10.7
209.13292	9.3
210.10457	2.9
211.11121	18.8
213.09314	6.8
213.12755	96.7
215.08830	3.1
215.10715	9.4
216.09221	2.9
217.08636	9.8
217.10352	5.2
217.12257	8.4
218.10851	3.9
219.08151	2.8
219.11842	4.0
220.12476	7.8
221.09651	6.0
221.13274	10.3
222.10345	3.1
223.11163	27.2
223.14862	2.9
225.09143	4.1
225.12788	7.2
227.10739	4.3
229.10280	3.1
229.12199	11.5
230.10941	5.8
231.11693	7.0
231.13802	32.1
232.12422	7.6
233.09651	5.5
233.13248	8.9
234.10487	3.7
234.13869	4.3
235.11177	8.0
235.14871	6.5
237.12831	12.2
239.10664	5.8
241.10257	3.7
241.12239	16.2
243.11685	8.0
243.13924	7.6
244.12495	5.3
245.11302	16.5
245.15506	9.7
246.10446	6.6
247.11188	5.7
247.14990	5.9
248.11974	3.4
249.12766	9.5
251.10545	4.4
251.14384	6.6
253.10107	3.6
255.11581	7.4
256.12433	2.9
257.13336	7.9
258.14154	5.6
259.11032	4.1
259.13242	32.6
260.11954	4.2
261.12704	11.3
261.16672	3.2
263.14362	9.3
265.12607	3.5
265.15891	3.0
267.13901	9.0
269.09781	3.0
269.13113	6.0
270.14163	5.5
271.11252	6.7
271.14938	4.5
272.15527	3.6
273.12640	4.7
273.14899	22.8
274.13446	4.2
275.14343	10.8
275.17383	2.5
277.14288	21.5
279.13977	5.0
281.13080	3.4
282.14157	3.1
283.11209	3.8
283.14743	3.8
285.12808	4.9
285.16272	5.4
286.13638	3.2
287.14340	9.5
289.15860	7.4
291.13663	3.6
291.17426	4.9
296.11929	4.4
297.12762	9.1
298.13623	5.7
299.14423	8.9
301.15875	6.8
303.14114	3.5
303.17569	6.6
309.15060	4.8
311.14343	10.8
312.15137	9.4
313.12439	3.0
313.15860	14.3
315.13840	5.3
315.17462	7.5
317.15451	5.5
317.19116	7.1
323.14203	4.8
325.15778	6.3
326.16669	5.5
327.13995	2.6
327.17468	19.3
328.18228	7.8
329.15338	7.5
329.18869	5.5
331.16901	6.1
341.15332	4.8
341.19104	6.7
343.16931	4.6
343.20633	5.0
345.18387	13.2
347.16440	5.5
349.17868	4.2
353.18964	8.0
355.16354	3.4
357.18399	3.4
359.16223	5.8
359.20120	11.0
361.18277	3.3
363.19662	5.1
369.18594	9.7
371.20038	9.7
372.17325	3.3
373.18002	6.8
375.19583	9.3
377.17188	6.0
377.21277	10.1
381.20862	4.2
387.14651	1.8
387.19547	53.0
389.21042	10.4
391.18976	5.0
393.20609	4.4
395.22281	3.8
401.17557	6.4
405.20676	68.1
419.18710	6.3
423.21692	48.0
433.20111	11.8
437.19861	3.3
447.21838	10.1
449.23209	3.7
451.21283	22.4
465.22897	28.6
469.21939	3.7
483.23654	16.6
497.21140	2.6
511.22714	13.2
553.28174	15.1
571.26990	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	571.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	2.9
53.03939	7.5
55.01871	15.0
55.05514	23.7
57.07069	5.6
65.03945	2.9
67.05512	14.8
69.03410	9.2
69.07063	7.5
79.05494	29.4
81.03407	14.9
81.06625	3.4
81.07050	19.2
83.04987	36.3
91.04971	3.7
91.05482	47.6
93.07067	21.8
95.01329	6.0
95.04977	20.5
95.08601	13.0
97.06516	3.4
99.85271	3.2
103.05478	34.7
105.03435	4.6
105.07030	43.0
107.04940	14.7
107.08595	24.7
109.06520	13.8
109.10130	5.2
115.05446	18.8
117.07008	27.7
119.08580	55.3
121.06484	11.1
121.10142	14.1
123.08035	4.8
128.06219	11.0
129.07007	36.3
130.07829	4.0
131.04024	5.1
131.04938	63.6
131.08575	35.9
133.06473	13.8
133.10110	32.6
135.08070	19.0
141.06989	9.8
142.07780	13.6
143.08559	32.8
145.06480	19.8
145.10121	28.7
147.08047	100.0
147.11702	6.8
149.05876	3.6
149.09633	13.1
153.07053	4.2
155.08546	15.3
156.09351	28.1
157.10146	55.1
158.07253	4.7
159.08067	49.9
159.11737	25.1
160.08896	3.3
161.05984	6.8
161.09650	29.5
163.07532	52.6
163.11215	5.0
165.06920	5.2
165.09138	3.4
167.08580	8.5
168.09323	5.5
169.10150	23.3
170.10919	14.2
171.08083	16.7
171.11687	80.8
172.08809	4.1
173.05980	8.0
173.09607	29.7
173.13272	13.8
175.07535	24.1
175.11194	7.8
177.09077	5.1
179.07033	5.6
179.08533	8.1
180.09293	5.0
181.10101	13.8
182.10913	4.4
183.08009	7.3
183.11693	45.8
185.09666	19.9
185.13268	45.8
187.07549	8.1
187.11177	10.2
189.09070	8.1
189.12708	5.0
191.10701	6.1
193.10133	11.5
195.11665	14.3
196.08731	4.7
197.09624	12.6
197.13232	17.5
198.10333	7.2
199.07550	6.2
199.11243	25.1
201.09126	8.4
201.12802	10.5
203.08656	4.9
203.10631	6.9
205.10210	4.8
206.10913	6.7
207.11699	17.0
208.12413	6.5
209.13222	11.7
211.11110	16.3
212.11659	4.7
213.09189	3.9
213.12747	45.5
215.08650	5.6
215.10707	12.1
215.14398	5.5
217.10152	8.3
217.12283	9.2
218.10844	4.1
219.11649	8.4
219.13791	6.6
220.12436	7.1
221.13304	7.4
223.11163	9.7
223.14845	7.3
225.09152	4.5
225.12846	4.9
227.10753	3.2
227.14386	6.8
229.10161	7.8
229.12270	17.5
229.62726	3.2
231.11711	7.6
231.13835	22.9
232.12451	3.7
233.13266	9.8
234.14063	5.7
235.11198	7.4
235.14835	6.5
237.12727	7.3
237.16295	3.9
239.10712	7.3
241.12280	12.4
243.11644	5.8
243.13852	14.3
244.12601	6.2
245.09624	4.3
245.11588	4.8
245.13443	3.9
245.15335	17.3
247.11147	7.7
247.14830	8.8
248.11928	5.5
249.12637	3.8
249.16374	12.1
250.13536	4.6
251.14293	6.0
255.13940	3.9
257.13373	5.1
258.14072	5.0
259.13098	9.9
259.14996	10.5
260.11914	3.7
260.15659	4.9
261.12637	5.6
261.16382	7.5
263.14337	5.5
263.17957	4.4
271.11032	3.2
271.14032	2.6
273.14966	11.9
277.12125	3.9
277.15817	14.9
282.14032	3.8
291.17319	9.9
297.12845	4.0
301.15854	5.6
303.13745	3.5
303.17667	3.8
307.16965	4.9
313.15756	4.9
315.17596	4.6
317.15189	3.4
317.18845	5.4
319.16980	9.8
321.18301	7.6
323.20004	5.6
327.17255	6.4
329.15131	4.9
329.18887	5.9
331.16983	7.0
333.18457	9.1
337.17676	3.7
343.20633	5.2
345.18494	10.4
347.20096	6.0
351.19672	15.8
353.19217	4.3
359.20117	7.1
361.21674	5.6
363.19592	5.1
369.20282	3.6
371.19925	9.0
375.19379	8.1
377.21356	8.9
387.19519	14.3
389.21185	21.6
405.20734	30.7
407.22098	18.5
419.18277	5.9
423.21927	20.7
425.23346	7.1
431.21783	3.8
442.09552	2.9
451.21411	6.0
453.26984	3.6
454.41144	3.3
465.22726	4.8
467.23993	4.9
469.21841	3.7
535.27368	4.5
571.26941	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	571.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23624	3.6
53.03946	7.4
55.01881	6.8
55.05518	47.9
67.05506	11.3
69.03436	6.5
69.07066	9.8
69.41219	9.8
69.41647	16.1
79.05504	18.8
81.03445	8.4
81.07063	20.3
83.04990	75.1
85.02921	4.4
91.05480	33.6
93.07043	13.8
93.14898	3.8
95.04971	12.5
95.08602	18.7
97.02883	5.9
97.06503	4.4
99.68952	3.9
102.31258	3.1
103.05459	6.8
105.07039	50.3
107.04980	6.0
107.08598	18.8
109.06541	7.5
109.10148	7.3
115.05441	10.3
116.06213	3.3
117.07005	18.7
119.08588	41.9
121.06544	7.9
121.10146	9.3
123.04446	3.8
128.06216	6.0
129.06989	11.2
131.08572	24.1
133.06496	23.3
133.10138	46.1
135.08064	15.7
141.07039	8.3
142.07820	10.8
143.08551	30.7
145.06485	15.7
145.10118	22.9
147.08073	15.4
147.11719	8.0
149.09627	10.3
153.07057	6.1
155.08562	12.8
156.08195	3.2
156.09315	20.0
157.10141	42.8
159.08080	16.0
159.11719	33.0
161.05995	34.5
161.09647	23.0
161.13283	5.0
163.07564	38.3
163.11137	4.2
167.08575	4.6
168.09335	6.2
169.10135	27.0
170.07367	3.2
170.10939	20.0
171.08022	17.4
171.11711	68.7
173.09659	23.9
173.13266	12.1
175.07596	10.5
175.11157	7.9
175.14758	3.4
177.09122	18.6
179.07068	6.2
179.10686	5.7
180.09303	5.6
181.10158	10.2
182.10736	3.6
183.08095	8.4
183.11705	77.6
184.08859	5.4
185.09698	18.4
185.13263	61.3
187.07567	4.3
187.11188	27.9
187.14853	4.0
189.05515	10.1
189.09100	18.3
189.12820	4.9
191.10730	4.2
192.09444	3.8
193.10175	7.4
195.11674	21.1
197.09555	8.7
197.13297	16.6
198.10457	9.4
199.11197	33.0
201.09077	8.7
201.12686	19.8
206.10953	5.1
207.11691	10.7
209.13351	5.0
211.11194	14.5
213.09306	8.2
213.12772	100.0
215.10713	10.6
215.14275	7.0
217.08551	5.4
217.12143	7.7
218.11127	3.3
219.11757	7.7
219.13737	5.7
220.12505	6.1
221.13269	13.2
223.11215	10.0
223.14807	5.3
227.10603	11.1
229.12257	9.5
230.11078	3.8
231.10075	7.0
231.11934	5.1
231.13776	18.1
232.12292	4.8
233.13396	6.8
233.15442	6.9
234.14157	3.7
235.11281	5.0
235.14803	5.6
237.12805	8.0
241.12309	18.6
243.11812	5.3
243.13892	9.6
245.13368	5.6
245.15433	17.0
247.15070	4.6
249.16411	10.2
251.14336	4.9
255.13924	5.6
257.13272	6.7
259.11130	4.3
259.13242	8.3
263.14233	4.6
263.16638	4.1
265.12213	5.7
273.12396	4.9
273.14899	51.4
275.12720	7.3
287.17917	3.5
291.15973	28.7
305.15561	4.1
317.15497	3.7
317.19174	4.4
321.18271	7.5
329.18933	5.8
331.16885	15.4
333.18384	8.2
343.16907	12.1
345.18634	7.7
347.20148	10.3
349.17841	4.7
351.19675	5.9
357.18628	21.1
357.22501	3.6
360.17261	3.6
361.18002	12.7
373.18185	10.8
375.19531	24.8
377.17444	4.1
385.18002	10.1
391.19177	6.2
393.20480	8.2
401.17343	3.8
403.18906	28.6
405.20306	11.4
407.22043	5.5
417.20602	15.2
421.19934	22.9
423.21448	8.2
435.21780	35.2
439.21063	9.5
453.22900	29.0
471.23956	8.1
473.00064	3.9
481.46762	3.8
539.26300	6.5
553.28387	7.8
571.28369	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	571.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01883	9.5
55.05508	9.5
57.07067	4.4
67.05503	4.0
67.36565	1.1
69.03432	2.7
69.45474	1.2
74.12411	1.2
77.03937	1.9
79.05477	4.9
81.03413	8.3
81.07053	4.5
83.04975	11.8
91.05481	19.8
93.07042	7.2
95.01338	1.7
95.04980	9.4
95.08615	3.9
97.06541	2.2
103.05475	36.0
105.07035	14.0
107.00582	1.1
107.04949	3.3
107.08606	7.1
109.06540	2.0
109.10130	1.3
115.05436	8.2
117.07024	13.0
119.08593	20.2
121.06501	3.5
121.10122	2.3
123.08059	2.0
128.06242	5.6
129.07007	12.4
130.07828	1.6
131.04936	100.0
131.08583	14.5
133.06500	3.6
133.10130	11.7
135.08044	4.5
136.91762	1.2
141.06981	2.0
142.07785	5.8
143.08569	13.2
144.05609	1.3
145.06496	13.4
145.10114	10.6
147.08060	46.9
147.09235	2.3
147.11722	2.1
149.09628	8.6
153.07076	2.7
154.07805	1.5
155.06117	2.0
155.08598	5.8
156.09387	7.6
157.06557	2.1
157.10138	27.8
159.08076	19.9
159.11716	20.9
161.05928	1.3
161.09639	39.4
161.13271	1.9
163.07529	7.9
165.07027	2.5
165.09108	1.7
166.07799	2.6
167.08582	3.8
169.06538	1.6
169.10123	8.7
170.10948	4.7
171.08109	5.2
171.11696	26.4
173.05971	10.3
173.09669	7.8
173.13266	7.7
175.07536	7.3
175.11203	2.9
177.09207	1.3
179.08607	2.2
179.10896	1.3
181.06413	1.8
181.10150	4.2
183.08125	2.2
183.11696	14.8
185.06000	2.6
185.09630	7.3
185.13281	13.8
187.07570	13.0
187.11169	8.8
189.12912	1.3
193.10149	4.4
194.10922	2.0
195.11729	2.5
197.09560	7.2
197.13275	3.9
199.07564	3.1
199.11185	9.8
201.09081	2.8
201.12703	7.1
203.08760	1.2
203.10687	3.2
203.14426	1.6
205.12097	1.4
206.10858	1.6
207.11736	4.6
209.09721	2.4
209.13327	2.1
211.07668	2.9
211.11227	3.9
213.09235	2.7
213.12756	4.9
215.10725	2.2
217.10271	2.3
217.12288	5.2
219.11775	2.1
219.13785	2.1
221.13208	3.3
223.11156	4.1
225.09203	3.9
225.12743	2.4
227.10736	6.0
229.10182	1.7
229.12326	4.0
231.11728	2.6
231.13879	6.9
233.09694	1.6
233.13312	2.5
233.15433	4.7
233.88536	1.4
235.11157	2.0
237.09146	2.5
237.12669	2.8
237.16542	1.6
239.10724	3.3
241.10033	1.8
241.12323	2.6
243.11751	1.7
243.13910	1.9
245.11652	2.9
245.15512	2.7
246.10451	1.5
246.14157	1.5
247.11205	2.3
247.14948	2.4
249.09093	1.6
249.12886	1.7
251.14236	1.6
251.17911	1.3
253.08437	1.5
253.12219	1.4
255.11679	1.3
256.12576	1.5
257.13348	2.8
259.10980	2.4
259.13306	4.0
260.11993	2.1
261.12619	2.7
263.10861	1.5
270.13977	1.7
271.11215	1.8
271.14896	2.2
273.12448	1.8
273.15042	2.6
274.13519	1.3
275.14294	4.5
283.11206	1.9
284.15732	1.9
285.12756	3.0
285.15869	1.4
286.10135	1.3
286.13470	2.2
287.14310	3.4
288.15219	2.1
289.12155	2.3
289.15689	1.7
297.12872	1.8
300.15033	2.4
301.12613	1.5
301.15842	4.4
302.16882	1.5
303.13776	3.0
303.17355	2.7
305.13959	3.3
311.14459	1.7
313.12381	2.2
313.15875	3.5
314.13187	1.6
314.16678	2.8
315.14087	2.8
315.17282	6.9
317.11844	6.9
317.15161	1.7
317.19049	2.1
327.13931	2.6
327.17584	3.0
328.14572	1.9
329.15463	5.1
329.19116	3.1
331.16965	2.7
333.14807	5.8
333.18503	1.4
339.14014	1.5
341.19043	1.9
343.16959	3.2
344.17990	2.0
345.14969	1.5
345.18784	3.3
347.20157	1.9
348.13660	2.3
349.17926	1.5
357.18558	14.1
359.20016	3.3
361.17776	1.8
363.15857	4.9
369.18460	4.2
371.20044	2.2
373.18161	2.8
375.19580	5.1
377.21097	5.3
379.23090	1.7
387.19519	11.6
389.21286	3.4
393.20334	1.7
403.19135	1.7
405.20630	24.0
407.22165	4.4
417.20660	2.6
421.20267	2.3
423.21689	44.8
433.20123	1.7
435.21750	8.3
441.22809	18.8
453.22845	8.7
469.22067	4.0
471.23859	13.8
473.22815	1.4
553.27600	6.2
571.26929	46.0
571.35925	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	571.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.8
51.02382	1.1
53.03959	3.8
55.01870	2.2
55.05503	1.1
56.78465	0.3
57.03450	0.4
57.07064	0.4
59.16066	0.3
59.96585	0.3
65.03932	0.7
66.44151	0.3
67.05509	3.3
69.03436	3.2
69.07063	2.1
70.24302	0.4
70.24630	1.3
71.04993	0.6
73.00175	0.3
77.03919	1.2
79.05496	2.9
81.03413	3.2
81.07068	2.1
83.04985	1.0
83.08599	0.4
87.93454	0.3
91.04967	0.6
91.05489	7.6
93.07050	4.2
95.04978	9.0
95.08628	3.1
97.06520	1.2
103.05461	1.3
105.03400	51.7
105.04537	2.6
105.07030	6.2
107.04993	0.8
107.08604	3.9
109.06506	2.0
109.10171	1.7
111.08109	0.4
111.16459	0.3
115.05470	1.5
116.06220	1.0
117.07020	2.5
119.08586	7.2
121.06493	1.4
121.10111	2.1
123.08079	1.3
123.11754	0.6
126.84293	0.4
128.06224	3.3
129.06984	2.9
130.07790	0.6
131.04947	1.5
131.08572	5.1
133.06508	1.8
133.10130	4.8
135.08060	1.8
137.09593	2.2
141.07014	1.3
142.07777	3.6
143.08577	4.7
145.06479	1.7
145.10152	2.3
147.08043	4.5
147.11751	0.7
149.09648	1.7
150.46748	0.4
151.11084	0.6
152.06219	0.8
153.07027	1.4
154.07753	1.0
155.04999	0.4
155.08601	2.4
156.09361	1.3
157.06427	0.4
157.10149	3.8
158.07317	0.5
159.08057	4.2
159.11728	1.0
161.09631	6.9
161.13106	0.4
163.07576	0.4
163.11182	0.6
165.07018	4.7
165.09111	4.3
166.07809	2.6
167.08585	3.8
168.09384	1.3
169.06514	0.8
169.10121	2.6
170.07253	0.5
171.08055	2.2
171.11644	1.6
173.09633	4.3
173.13258	0.4
175.07605	0.4
175.11174	1.0
178.07773	1.7
179.08582	3.5
179.10689	2.0
180.09329	4.2
181.06523	0.6
181.10117	2.6
182.07298	0.8
183.08099	1.0
183.11676	2.7
184.08910	0.5
185.09613	3.9
185.13251	0.9
187.11220	1.6
187.14804	0.4
190.07854	0.9
191.08597	1.0
192.09372	1.1
193.06329	0.4
193.10138	2.7
193.77458	0.3
194.07324	0.7
194.10899	0.7
195.08005	1.6
195.11717	3.7
196.08839	0.9
197.09605	6.5
197.13303	0.7
199.11263	2.5
201.12793	0.6
202.07820	0.7
203.08682	1.8
203.10422	0.4
204.09348	1.4
205.10162	1.4
206.10942	1.3
207.07994	0.8
207.11726	2.9
208.08829	3.4
209.09592	4.3
209.13226	1.0
210.10437	1.0
211.11194	4.1
213.12871	1.1
213.94923	0.4
215.08595	2.0
215.10579	0.8
216.09390	1.3
217.10167	3.1
218.10857	1.6
219.08212	0.9
219.11702	2.2
220.08852	0.7
220.12495	0.6
221.09604	1.4
221.13217	1.6
222.10429	1.0
223.11197	13.6
223.14664	0.5
224.11920	0.3
225.12836	0.8
228.09427	0.5
229.10191	2.6
230.10880	2.1
231.08145	0.8
231.11665	2.8
231.13464	0.4
232.08838	0.6
232.12550	1.5
233.09616	1.8
233.13307	1.9
234.10419	0.7
235.11214	2.6
235.14900	1.0
237.09163	0.9
237.12729	2.2
239.08463	0.7
239.14290	0.4
240.09344	0.8
241.10144	1.4
242.10928	1.6
243.11662	2.8
244.08771	0.5
244.12463	2.4
245.09601	2.3
245.13269	4.2
246.10413	1.1
246.14038	1.1
247.11160	3.1
247.14871	1.0
248.12061	1.1
249.09085	0.5
249.12808	1.6
249.16441	0.4
251.14549	0.6
253.10207	1.3
254.10986	1.3
255.11656	2.9
256.12479	1.1
257.09763	1.1
257.13278	2.9
258.10449	1.7
258.14078	1.2
259.11185	3.7
259.14853	2.0
260.12027	2.0
260.15601	0.5
261.12756	3.6
262.13559	1.2
263.10706	0.9
263.14368	3.1
265.10031	0.6
266.10837	0.8
267.11673	1.4
268.12466	1.4
269.09738	1.2
269.13263	2.6
270.10669	0.7
270.14032	2.2
271.11166	1.9
271.14783	1.6
272.11951	1.6
273.12790	5.3
273.16287	1.2
274.13580	2.1
275.11414	0.6
275.14346	3.3
275.17722	0.7
276.15097	0.6
277.12378	0.5
277.15936	0.9
279.11676	0.8
280.12384	2.0
281.13174	2.1
282.10468	1.3
282.13998	1.3
283.11230	4.8
283.14862	2.4
284.12000	1.6
284.15463	0.7
285.09882	0.4
285.12820	2.3
285.16406	2.2
286.09979	0.4
286.13510	1.0
287.14301	5.5
288.15216	1.2
289.12439	0.7
289.15909	0.7
291.13828	0.8
293.13098	0.7
294.13989	0.8
295.11188	1.4
295.14893	2.3
296.11963	1.9
296.15247	0.5
297.12762	6.3
297.16309	1.0
298.13559	4.2
299.10797	1.0
299.14343	3.9
299.17828	0.8
300.11569	0.6
300.15039	0.8
301.12286	1.2
301.15942	2.1
302.13043	0.4
303.14069	0.8
303.17557	1.3
305.12857	0.5
307.14737	0.5
308.11945	1.0
309.12823	3.6
309.16241	0.8
310.13544	1.6
310.16992	0.4
311.14294	4.9
311.17722	0.5
312.15070	2.6
313.12421	0.8
313.15872	11.0
313.19519	0.9
314.13046	1.1
314.16736	1.3
315.14001	0.7
315.17407	1.4
316.14667	0.5
317.15485	0.7
317.19101	0.9
323.14346	6.4
324.15106	2.3
325.15894	3.5
325.19418	0.8
326.13202	0.7
326.16531	1.8
327.13837	0.7
327.17419	4.7
328.18231	1.6
329.15323	2.0
329.19040	1.7
330.16150	0.7
331.16696	0.8
331.20554	0.4
335.17813	0.4
338.16684	4.1
340.18301	1.2
341.15350	2.2
341.19086	4.6
342.16110	0.7
342.19843	0.4
343.16867	0.8
343.20526	4.0
345.18558	1.7
346.19357	0.5
353.18982	10.2
355.16943	0.5
356.17764	2.3
359.16327	0.7
359.20215	1.3
361.21597	1.4
371.20087	15.6
374.18735	3.1
387.19501	0.4
389.21164	10.6
392.19559	0.4
405.20511	0.5
431.22156	2.2
449.23273	6.1
511.24820	0.5
553.27557	0.7
571.26941	100.0
572.27435	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.7
55.01873	5.7
55.05511	10.2
67.05506	8.0
69.03423	16.3
69.07056	6.3
72.51802	3.9
79.05522	25.9
81.03431	10.4
81.06570	3.8
81.07050	13.0
83.04985	9.9
83.58400	3.8
86.83782	4.6
90.57845	4.3
91.05492	51.1
93.07047	21.7
95.01344	19.5
95.04966	13.1
95.08606	11.0
103.05491	13.4
105.07044	84.3
107.04974	9.1
107.08603	13.9
109.06526	6.4
115.05464	19.8
117.07025	36.2
119.04930	5.9
119.08595	62.3
121.06508	12.7
121.10159	10.6
128.06250	10.4
129.07034	15.7
130.07898	4.9
131.04910	8.7
131.08592	31.7
133.06528	31.7
133.10135	31.5
135.08041	12.4
137.06015	4.6
141.07002	9.3
142.07805	12.6
143.08559	37.6
145.06502	17.1
145.10132	36.5
147.08089	24.8
149.06010	6.1
149.09615	34.0
153.06937	6.1
154.07739	8.1
155.08563	21.4
156.09386	33.9
157.06511	4.5
157.10139	81.7
159.08128	24.5
159.11703	42.8
161.05963	53.1
161.09639	16.6
163.07536	26.9
163.11192	5.5
165.07004	6.1
167.08586	5.9
168.09389	8.8
169.06470	5.7
169.10164	38.8
170.10930	17.3
171.08054	19.4
171.11694	100.0
172.08835	4.7
173.06003	13.8
173.09665	31.9
173.13310	16.2
175.07570	13.1
177.09140	49.0
179.07053	19.4
179.08441	8.1
181.10172	12.9
182.10858	5.8
183.08020	11.0
183.11697	71.6
184.08755	5.8
185.09665	27.9
185.13252	66.3
186.10413	4.6
187.07585	8.1
187.11154	33.3
189.05521	23.3
189.09103	7.3
191.07025	6.9
191.10652	8.5
192.09341	5.2
193.10165	9.3
194.10960	6.5
195.11717	14.4
197.09586	21.9
197.13307	7.6
198.10368	8.2
199.07608	8.0
199.11188	31.1
201.09084	9.6
201.12715	21.6
203.10588	6.1
205.10258	7.2
205.12180	6.5
207.06551	6.8
207.11655	17.9
208.12404	10.8
209.09673	7.0
209.13307	15.1
211.11185	37.0
213.09135	8.9
213.12744	88.7
215.08679	6.3
215.10674	13.5
217.08499	7.6
217.10361	5.6
217.12209	8.1
218.10744	6.5
219.11804	10.4
220.12407	9.3
221.13333	22.4
222.14030	4.6
223.07738	5.6
223.11197	13.5
223.14877	6.1
225.08980	6.0
225.12761	8.5
227.10663	9.3
227.14343	5.1
229.12163	24.6
231.09990	9.8
231.11993	5.5
231.13869	15.1
232.12489	8.8
233.13403	7.5
233.15385	10.7
234.10364	6.9
235.11153	5.0
235.15028	5.7
237.12746	12.4
241.12318	8.2
243.11707	12.4
243.13760	24.3
244.12534	8.5
245.11552	27.6
245.15402	29.2
246.14015	8.6
247.11182	5.5
247.13234	13.2
249.12906	7.1
255.13931	5.6
257.13458	8.3
258.14127	12.1
259.15134	7.3
260.12097	7.7
260.15662	10.1
261.12650	7.6
261.14917	5.4
263.14423	8.5
265.08923	5.9
267.13968	7.7
269.13235	10.0
270.13907	7.0
271.13287	6.9
272.15884	6.1
273.12445	6.2
273.14594	27.3
275.14606	6.2
275.17810	6.7
276.14938	4.9
277.12204	6.1
283.14801	8.4
285.12778	7.8
285.16119	9.1
287.14499	7.0
287.17722	6.3
289.14545	7.9
291.13620	7.4
295.17072	10.3
297.12479	5.1
298.13538	5.9
299.11075	5.3
299.14114	10.1
301.12653	7.2
301.15866	18.5
303.13785	7.5
312.15247	5.9
313.15726	6.1
315.17410	6.7
317.15308	8.7
319.17014	19.2
329.15421	16.5
330.16049	7.4
331.16800	22.7
333.18292	8.4
341.15286	6.2
343.16940	20.5
345.18542	16.1
347.16376	15.7
349.17902	9.6
359.16513	14.1
361.17975	18.1
363.19467	12.6
371.16531	13.6
373.18088	35.6
377.17587	10.5
379.18942	5.8
389.17499	16.1
391.19080	14.0
393.20575	7.8
401.17542	10.7
403.19080	15.3
405.20572	16.4
407.18167	6.2
415.19089	7.6
417.16946	9.5
419.18387	12.6
421.20087	33.5
423.21991	21.6
433.20010	38.2
435.17896	6.3
437.19476	8.7
439.20917	14.4
441.32883	4.9
449.19629	17.8
451.21097	22.7
467.20578	19.6
485.21579	6.9
493.22290	6.1
511.23096	11.3
553.24042	11.9
571.24957	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	571.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
53.03948	1.6
55.01875	0.8
55.05511	1.1
57.07078	0.7
58.06605	0.3
67.05500	0.7
69.03429	0.5
70.06593	1.5
71.08648	0.3
71.55828	0.3
77.03939	0.8
79.05495	1.6
81.03435	1.4
81.07059	0.9
83.04981	1.4
88.07655	2.1
91.05476	2.7
93.07038	1.3
95.04980	2.8
95.08611	1.2
102.09212	1.3
103.05476	38.5
105.03398	3.4
105.04520	0.7
105.07011	1.7
106.03720	0.6
107.04964	0.7
107.08595	1.0
109.06533	1.2
113.93564	0.3
115.05479	0.4
117.07025	1.2
119.08585	2.9
121.06524	0.6
121.10186	0.6
123.08080	0.3
128.06216	0.6
129.07014	0.9
131.04935	100.0
131.08597	1.3
133.06493	0.9
133.10123	1.0
135.08073	1.3
142.07765	0.6
143.08563	1.1
144.08191	0.3
145.06511	0.9
145.10158	1.4
147.08075	3.3
147.11671	0.3
149.02367	0.8
149.05992	5.0
149.09621	0.4
150.02682	0.3
150.06310	1.6
151.07497	0.3
155.08566	0.7
156.09372	0.5
157.06413	0.3
157.10158	2.2
159.08086	1.0
159.11743	2.6
161.09630	1.6
167.08510	0.5
168.09398	0.5
169.10132	2.0
170.10928	0.4
171.08057	0.6
171.11707	1.9
173.06027	0.7
173.09637	0.9
173.13274	0.4
175.07567	4.9
179.08629	0.7
181.10063	0.6
183.11682	1.6
185.09665	0.5
185.13278	1.2
187.07536	0.4
187.11172	1.2
189.09120	1.0
193.04929	0.3
193.10114	0.6
194.05307	0.3
194.10951	0.3
195.11720	0.8
197.09615	0.3
197.13268	0.6
199.11182	1.0
201.09193	0.4
201.12712	0.7
207.11661	0.7
209.09505	0.3
209.13245	0.6
211.11244	0.6
213.12733	0.8
215.14255	0.3
219.11742	0.3
221.13242	0.5
223.14738	0.6
225.12663	0.7
225.16350	0.3
229.10109	0.3
229.12218	0.4
233.13362	0.4
235.11215	0.4
237.12779	0.6
237.16331	0.4
239.10710	0.3
239.14319	0.5
251.14240	0.4
251.17894	0.4
256.26376	2.6
257.26761	2.1
261.12766	0.5
261.16342	0.6
264.11905	0.3
282.30701	0.3
291.17346	0.3
297.07657	0.5
298.07999	0.4
299.14017	0.4
304.52722	0.3
311.14197	0.3
313.15927	0.3
317.18970	0.3
319.16925	0.6
321.18198	0.4
325.21701	0.5
331.20386	0.3
333.18411	0.4
335.19980	0.6
335.99353	0.3
341.10236	2.0
341.13879	0.2
341.18845	0.5
342.10602	3.3
345.18497	0.3
349.21527	1.3
353.21252	0.3
359.20099	2.0
361.18033	1.4
371.20258	0.4
376.87057	0.3
377.17090	0.3
377.21191	3.4
379.18985	0.4
387.19330	1.0
389.20935	0.7
395.21976	0.6
405.20584	3.8
423.21436	0.9
548.55933	0.3
553.25317	0.4
571.26398	8.7
571.34344	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	571.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	9.4
55.05500	7.8
67.05497	9.7
69.03426	16.9
69.07049	5.2
76.64806	4.6
77.22643	5.1
79.05493	40.6
80.01591	5.7
81.07050	21.5
83.04986	9.2
91.05486	40.0
93.07069	40.9
95.04974	23.9
95.08010	6.3
95.08599	19.1
103.05444	16.1
105.07031	43.5
107.04969	11.2
107.08593	32.9
109.06548	7.0
115.05457	7.5
117.06284	5.7
117.07004	27.0
119.08601	65.0
121.06502	12.2
121.10140	18.4
128.06154	7.0
129.06946	14.6
131.04945	29.1
131.08557	28.0
133.06488	25.2
133.10135	25.7
135.08046	31.9
141.06966	9.6
142.07803	16.1
143.08562	34.1
144.09460	5.0
145.06485	14.3
145.10100	21.1
147.08040	22.0
149.05940	5.6
149.09628	73.4
153.06975	5.1
155.08556	15.6
156.09332	22.1
157.08925	9.4
157.10141	100.0
159.08073	25.2
159.11690	42.8
161.05969	10.4
161.09608	13.1
163.07538	12.7
165.07037	8.0
165.40273	6.0
167.08537	11.8
168.09363	7.9
169.10136	47.1
170.10957	14.7
171.08128	13.5
171.11711	92.2
173.09601	22.3
173.13242	16.0
175.07524	9.7
177.05331	5.5
177.09143	14.5
179.08641	11.2
180.09294	8.6
181.10101	17.3
183.08052	11.6
183.11696	68.3
185.09572	14.2
185.13281	32.7
187.07571	10.5
187.11189	18.6
191.07010	7.0
193.10162	17.0
195.08081	12.3
195.11681	23.7
197.09686	8.9
197.13203	19.8
199.11165	23.6
199.14851	6.3
201.12759	8.6
205.10109	10.1
206.10959	10.2
207.11714	31.6
208.12418	13.3
209.08043	9.2
209.13223	19.1
211.11108	15.6
211.14819	7.4
213.12759	30.1
215.10681	10.9
217.10170	11.1
217.12115	12.4
218.10782	7.7
219.11714	14.6
220.12462	11.0
221.09660	6.4
221.13210	25.9
223.11191	8.8
223.14833	10.1
225.12837	11.5
227.10677	12.8
229.10231	10.7
229.12111	24.3
229.49919	6.2
230.10852	8.2
231.11661	15.5
231.13892	13.3
232.12489	17.9
233.13226	24.3
233.15347	11.7
234.14026	6.3
235.11147	10.2
235.14827	18.8
237.12627	8.5
237.16278	7.1
239.14198	8.5
241.12161	7.2
243.11668	11.8
243.13805	19.6
244.12346	10.7
245.13248	16.0
245.15434	12.3
246.14001	10.4
247.11186	11.1
247.14986	24.3
248.15538	6.7
249.12778	8.6
249.16458	19.5
257.13242	9.8
258.14160	10.0
259.14856	15.6
260.12021	9.3
260.15530	12.8
261.12570	11.0
261.16577	13.5
263.14233	7.9
263.17990	9.0
265.12003	5.2
265.15952	6.7
270.13815	6.6
275.14282	11.7
275.17926	10.3
277.15887	10.5
279.13950	6.2
285.16278	7.5
286.13440	6.7
287.14401	9.4
287.17981	6.9
289.15137	5.9
291.17288	9.6
299.14340	6.5
299.17865	9.4
301.15863	12.1
303.14087	6.2
303.17325	21.5
305.15457	6.8
305.18927	8.3
307.16943	9.9
314.13028	6.6
315.13788	6.7
315.17407	10.8
317.15143	6.5
319.16971	17.1
321.18512	19.7
323.20074	8.3
327.17374	7.0
329.15369	9.8
331.16998	19.9
333.18549	6.7
339.19589	6.6
343.16791	16.4
345.18652	6.6
347.16418	19.5
349.17957	29.8
361.17984	24.5
363.19690	10.9
365.17435	19.9
367.19165	10.4
371.16684	8.1
377.17258	9.8
377.21402	9.4
379.19043	23.0
389.17429	21.5
391.18930	13.0
393.16620	7.2
393.20953	8.4
405.20590	16.5
407.18533	14.3
409.20288	8.4
421.20084	21.1
423.21808	26.5
437.19455	12.5
439.21176	25.4
449.19498	20.5
451.21078	15.9
467.20721	25.3
511.23486	12.5
553.24451	9.8
571.25391	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	571.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04783	2.0
53.03942	4.1
55.01867	5.4
55.05510	6.1
65.03943	3.7
67.05502	7.4
69.03413	3.8
69.07066	9.6
77.45223	1.8
79.05498	22.4
80.47723	1.8
81.03423	4.3
81.07071	11.3
82.95148	1.9
83.04981	7.3
86.19197	2.0
91.05479	34.9
93.07056	27.1
95.01334	4.3
95.04979	10.3
95.08609	10.3
97.06583	2.7
98.21549	3.7
103.05464	8.2
105.07034	59.0
107.04938	13.5
107.08598	16.2
109.06535	9.2
115.05437	12.8
116.06270	3.2
117.07024	19.8
119.04922	10.0
119.08594	43.2
121.06496	11.5
121.10145	29.9
123.08067	5.8
125.05953	2.3
128.06245	10.5
129.07014	11.7
130.07788	5.0
131.04941	9.6
131.08580	34.5
133.06509	17.5
133.10114	18.1
135.04294	2.1
135.08014	13.5
141.06979	11.2
142.07787	10.0
143.04947	5.4
143.08575	30.6
144.09375	2.2
145.06505	16.6
145.10129	31.6
147.04407	4.0
147.08061	17.6
147.11679	3.5
149.05963	6.1
149.09627	51.3
153.06978	5.7
155.08560	22.3
156.09319	18.6
157.06517	4.5
157.10153	44.2
158.07263	5.0
159.08067	21.4
159.11662	10.0
161.05994	18.6
161.09628	15.6
163.07526	11.0
163.11194	8.9
165.07051	5.3
165.09138	4.5
166.07825	3.2
167.08591	6.1
168.09337	4.8
169.06473	2.5
169.10144	31.7
170.10921	17.4
171.04515	2.8
171.08060	36.7
171.11697	73.5
172.08821	6.1
173.05981	3.7
173.09633	32.7
173.13255	8.4
175.07585	8.7
175.11250	4.0
177.05464	12.1
177.09093	16.0
179.07019	15.2
179.08591	6.1
180.09326	4.9
181.10132	8.0
182.10931	3.3
183.08104	8.0
183.11703	47.3
184.08839	6.7
184.12442	4.3
185.09694	25.1
185.13258	55.7
187.07521	5.6
187.11208	12.8
189.05528	15.2
189.07002	2.3
189.09125	8.1
189.12758	3.4
191.10638	3.1
192.09305	4.8
193.10144	10.9
193.90254	2.2
194.10841	3.5
195.10291	3.9
195.11710	11.9
197.09676	16.4
197.13243	12.0
198.10391	12.3
199.07593	7.4
199.11172	22.3
200.11943	8.5
201.09097	9.1
201.12798	10.4
203.07068	2.9
203.10684	4.2
205.10175	5.6
205.12260	8.1
206.11012	5.4
207.06554	2.8
207.11743	14.5
208.12309	2.6
209.09660	5.3
209.13281	8.9
211.07651	2.3
211.11169	27.7
211.14705	2.3
213.09154	7.6
213.12755	100.0
215.08786	2.9
215.10594	10.3
216.09441	2.8
217.08392	4.3
217.10318	3.6
217.12180	3.0
218.10944	4.3
219.11751	6.3
220.12517	5.4
221.09698	4.3
221.13292	6.9
222.13968	2.3
223.11279	10.8
223.14766	3.3
225.12840	6.0
226.13129	2.4
227.10646	3.2
229.10254	4.6
229.12155	14.0
230.10838	5.9
231.10132	9.9
231.11937	5.8
231.13875	6.4
232.12463	7.7
233.13261	8.2
235.11282	4.8
235.14844	6.2
237.12761	8.4
239.10725	5.1
239.14189	2.6
241.12317	6.4
243.11723	7.4
243.13841	12.7
244.12442	7.8
245.08078	4.0
245.11534	5.3
245.13420	6.8
245.15431	26.2
246.10367	2.6
246.14058	4.9
247.11159	5.0
247.15044	4.9
248.12004	2.6
249.12659	5.0
249.16409	4.4
251.10576	3.0
251.14294	3.6
253.12457	3.1
255.11658	5.9
255.13957	2.5
256.12399	5.4
257.13510	10.0
258.10541	2.5
258.14029	7.2
259.14792	9.7
260.11935	5.5
260.15585	5.4
261.12732	6.3
261.16376	9.3
263.14346	5.8
265.12268	3.5
265.15833	2.7
267.13794	3.1
269.13177	7.2
270.14063	7.4
271.12949	3.1
271.14944	6.4
272.15723	2.9
273.12469	3.0
273.14825	40.0
275.12573	3.9
275.14447	4.1
277.15796	5.1
285.12991	3.6
285.16333	11.7
287.14352	6.5
289.15555	7.2
289.19019	2.6
291.13953	3.1
291.17462	4.8
297.12631	3.1
298.13583	4.3
299.14270	8.2
299.17645	4.0
300.15085	4.2
301.12375	5.9
301.15833	4.6
303.13812	5.3
303.17459	14.0
305.15366	3.4
305.18863	2.9
312.15271	3.5
313.15866	6.7
315.13858	5.3
315.17322	5.2
316.14468	3.8
317.15475	4.2
317.19058	5.9
319.16956	3.2
321.18427	3.8
327.13699	2.7
327.17432	5.3
329.15347	5.3
329.18939	3.0
331.16858	19.8
333.18372	5.2
335.20004	2.9
341.15332	4.2
343.16904	5.1
345.14883	3.4
345.18472	13.8
347.16336	6.6
349.14377	3.1
349.17984	14.4
355.16852	8.5
359.16473	17.3
361.17810	7.7
363.19620	10.7
373.17953	27.4
375.23334	3.2
377.17435	24.0
387.19635	3.9
388.19833	2.3
389.17114	3.2
391.19070	26.4
401.17496	14.1
403.19028	4.4
405.20987	13.4
407.22559	4.5
415.18979	7.3
419.18558	23.3
421.19949	6.5
423.21902	12.0
425.21909	2.6
433.20190	27.3
437.19467	6.4
439.21213	2.6
451.21210	68.1
469.22086	7.1
479.20755	3.0
483.23633	6.2
488.37192	2.3
493.22308	8.5
511.23364	57.3
539.22229	2.6
553.24512	3.3
571.25470	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60336	2.6
53.03942	3.0
55.01878	4.5
55.05505	2.9
65.30383	2.4
65.54669	2.4
67.05516	6.8
67.62771	2.5
68.56518	2.6
69.03428	9.2
69.07070	3.3
71.65973	2.5
79.05500	12.7
81.03423	10.5
81.07064	7.9
83.01381	2.8
83.04973	8.6
91.04952	3.4
91.05487	27.8
93.07050	14.3
93.07578	2.5
95.05006	16.5
95.08626	5.7
98.21489	6.1
100.56815	2.6
103.05473	29.2
105.07037	40.8
107.04984	4.4
107.08588	11.4
109.06497	6.6
115.05471	8.5
117.07005	17.2
119.04945	2.8
119.08591	53.1
121.02847	6.8
121.06523	9.0
121.10160	6.7
128.06229	12.2
129.06999	15.0
130.07794	2.9
131.04938	33.7
131.08572	19.1
133.06474	22.4
133.09300	3.5
133.10133	20.4
135.08089	9.4
141.06982	8.4
142.07730	12.2
143.08560	25.5
144.09264	4.0
145.06499	9.2
145.10095	14.4
147.08057	41.9
149.09631	22.8
153.07008	6.0
155.08592	14.5
156.09370	15.6
157.06535	3.5
157.10143	66.7
159.08052	17.4
159.11731	32.9
161.05968	22.9
161.09579	14.0
163.07579	12.2
163.11183	3.9
165.06958	8.0
165.09180	3.1
166.07829	5.7
167.08615	7.4
168.09430	6.0
169.06389	3.4
169.10126	31.1
170.07268	2.7
170.10925	9.2
171.08092	10.0
171.11717	52.7
172.08926	2.9
173.05969	7.6
173.09645	10.9
173.13275	8.8
175.07588	11.6
177.09108	6.6
179.07112	5.7
179.08609	7.1
179.10657	2.9
180.09349	4.5
181.10179	12.9
182.10907	3.1
183.08073	8.2
183.11722	39.1
184.08894	5.5
184.12512	3.1
185.08199	2.4
185.09645	15.6
185.13272	17.7
187.07578	5.2
187.11261	11.4
189.05492	7.0
189.09146	4.0
191.06981	5.5
191.08566	3.2
192.09448	6.5
193.08623	3.9
193.10153	10.3
194.10870	4.4
195.11740	15.6
196.08862	3.8
196.12402	3.2
197.09673	16.2
197.13318	11.4
198.10399	4.2
199.07524	3.8
199.11188	23.7
201.09125	3.9
201.12816	7.8
202.07640	2.8
203.08598	4.5
204.11310	2.3
205.08488	3.2
205.10193	5.9
206.10951	7.8
207.11688	14.3
208.12425	4.7
209.09683	8.4
209.13219	9.6
211.07515	2.4
211.11230	13.2
211.14832	4.3
213.09149	5.3
213.12761	14.8
215.08727	2.9
215.10750	3.3
217.10124	6.9
217.12207	6.5
218.10971	4.6
219.11742	7.9
220.12453	8.0
221.09756	2.9
221.13272	16.2
222.10310	3.4
223.11172	10.1
223.14822	5.8
225.09152	5.0
225.12767	6.6
227.06833	2.7
227.10680	11.0
229.10275	4.2
229.12277	12.5
231.11656	8.2
231.13907	8.4
232.12453	5.9
233.09703	6.2
233.13252	8.2
233.15276	5.0
235.11171	6.2
235.14810	6.9
237.12799	7.0
237.16335	2.9
239.10709	7.1
241.10091	5.4
241.12312	5.7
242.10887	4.5
243.11644	8.1
243.13826	8.5
244.12564	6.6
245.13292	8.5
245.15431	9.0
246.10524	3.0
246.14087	5.8
247.11218	3.7
247.14865	9.2
249.09114	4.5
249.12776	8.7
249.16426	4.2
251.10849	4.0
251.14307	5.4
252.14948	3.3
255.11647	3.2
256.12418	2.7
257.13263	7.4
258.10626	2.6
258.14099	5.1
259.11243	7.1
259.14746	8.0
261.12732	6.4
261.16486	3.7
263.14401	5.7
269.13306	5.4
270.14075	4.2
271.11423	6.2
271.14850	9.8
272.11658	4.1
273.12399	5.2
273.14920	2.9
275.14435	4.2
275.18134	2.4
283.14850	5.4
284.12000	3.7
285.12689	4.7
286.13663	3.7
287.14285	4.6
288.14987	3.4
289.12143	3.7
289.15341	2.5
291.10373	3.0
291.13742	4.6
291.17227	3.9
293.15286	3.2
297.12967	6.4
298.13586	3.6
299.10794	3.7
299.14240	5.2
301.12613	3.1
301.15918	9.5
303.13724	6.6
303.17303	4.8
305.11746	3.2
305.15250	3.8
311.14282	3.0
312.15060	4.5
313.15881	6.1
315.13925	3.7
315.17447	7.7
317.15369	4.9
317.18936	4.5
318.16061	3.0
319.13400	3.3
319.16891	6.3
327.17493	9.3
329.15417	16.3
329.18851	3.5
331.13275	6.0
331.16968	11.9
339.13757	4.7
343.13077	4.8
343.16934	9.8
345.14825	9.4
345.18536	19.7
347.16452	22.2
347.20126	4.1
349.18002	13.3
357.14578	4.3
357.18680	17.1
359.16367	7.1
359.20309	5.9
361.18066	15.2
363.19669	3.1
369.18552	12.7
371.16483	10.4
373.18134	6.9
375.19586	9.2
379.19016	8.1
384.65427	2.6
387.19580	100.0
389.17624	16.4
391.19000	6.3
393.20538	8.3
403.19080	10.9
405.20639	81.9
407.18555	8.8
411.21576	3.9
419.18573	3.6
421.20102	26.8
423.21783	57.6
431.18607	4.2
433.20236	5.6
435.17700	4.6
439.21021	11.2
442.64182	2.7
449.19476	9.7
451.21103	5.1
467.20615	18.8
533.56091	3.2
553.25531	4.8
571.26721	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	571.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.05500	0.9
62.37942	0.3
67.05513	0.6
69.03430	1.0
70.06588	1.1
73.02905	0.3
79.05499	4.1
80.05026	2.6
81.03419	2.7
81.05804	4.8
81.07053	3.1
82.06588	0.6
83.04978	0.5
85.02900	0.6
86.09719	0.4
91.05473	1.1
93.07038	1.0
94.06567	0.9
95.04967	1.0
96.04498	0.5
96.08134	17.8
97.02914	1.0
100.07635	0.5
105.07033	0.5
106.06569	2.5
108.03806	0.5
108.04486	4.8
109.02882	3.8
109.06523	0.9
119.04928	0.3
119.08556	0.5
119.76335	0.3
120.08114	0.9
121.06541	0.5
123.04443	0.8
124.07596	100.0
126.05539	0.5
127.03884	2.4
136.07581	7.6
136.08557	0.6
137.05983	13.5
138.05469	0.6
138.09148	5.3
151.03922	0.4
152.50757	0.4
164.07079	9.0
165.05482	17.0
166.04968	1.1
166.08630	0.4
167.07097	0.8
168.06531	1.4
181.04907	0.4
182.08148	11.0
183.06606	1.0
204.10223	0.4
214.12386	0.7
215.10635	0.5
218.11865	0.7
220.10495	0.4
225.07648	0.5
231.15144	0.5
232.09738	1.8
232.13217	0.4
246.11284	2.8
258.11057	0.3
260.12839	1.4
273.07748	0.5
277.15533	2.6
287.13916	1.1
288.12360	2.7
290.10300	1.0
291.08606	1.7
301.15213	0.4
305.14957	11.8
306.13373	2.3
308.11398	1.7
309.09683	3.6
315.13379	0.7
323.15903	2.2
333.14423	0.4
348.14554	1.4
365.17093	6.5
377.13513	0.4
396.14438	1.5
397.69965	0.4
413.17123	1.7
414.10944	0.4
414.15628	2.4
431.18143	16.6
432.16629	3.5
447.88025	0.4
449.19235	10.6
450.17807	0.8
454.34024	0.4
467.20319	3.1
571.22693	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96294	0.6
56.96568	9.7
61.02930	1.1
69.03420	2.1
71.04964	0.5
73.02911	0.5
84.96040	0.6
85.02917	5.2
87.04488	0.6
97.02885	1.8
98.97586	33.7
99.04443	0.5
109.02903	0.6
110.97586	2.2
115.00669	0.5
116.98634	6.4
124.99118	31.8
127.03955	1.1
128.98558	1.0
131.01845	0.5
131.48929	0.5
134.99646	0.8
139.00743	0.6
140.98610	0.6
141.02228	3.4
143.00169	70.7
144.81369	0.5
145.04958	1.2
146.99666	1.1
152.98515	0.7
157.01694	3.0
158.99664	14.1
159.03323	5.1
161.01230	48.0
161.06691	0.8
162.01498	0.5
166.01855	1.1
167.05533	0.5
169.03513	0.5
170.99699	1.5
173.03011	0.5
175.01332	0.5
175.02795	2.0
177.00710	5.7
177.04311	2.7
177.05649	1.0
179.02298	6.2
181.04941	0.7
182.99713	0.5
183.03246	0.8
184.02708	0.7
185.01224	76.0
187.02927	0.5
187.04527	1.5
189.00713	1.4
189.04344	0.9
197.06665	0.6
199.02757	0.6
201.00761	1.5
201.04367	5.1
203.02280	100.0
203.07407	2.5
214.04636	0.5
215.02248	2.5
215.07658	3.0
217.03903	1.7
219.01788	7.1
219.05365	2.2
221.03326	18.6
221.05440	1.0
226.03931	1.8
227.02379	0.7
233.03389	3.4
237.02815	4.8
239.02173	0.7
239.04359	1.5
239.07626	0.8
245.03316	31.7
247.05084	0.6
251.04373	0.7
261.02808	3.8
263.04367	18.2
267.55603	0.5
275.04608	0.6
279.03809	1.0
281.05441	1.1
287.04254	1.3
289.05576	0.6
297.06567	0.6
305.05438	21.8
305.10812	6.3
307.07047	0.8
321.04953	1.4
323.06516	31.2
323.12225	1.5
341.07538	6.8
346.07874	0.7
347.06552	4.7
365.07574	35.4
365.12500	1.5
377.07349	0.7
379.09140	1.5
383.08527	1.0
391.09134	5.3
391.13815	1.0
405.10315	0.7
407.08472	1.6
409.10184	39.9
425.09784	6.9
449.09439	1.7
451.11203	6.5
467.10748	17.4
485.12009	3.4
511.13336	1.1
544.39612	0.6
553.14319	6.8
571.15332	54.4
572.15436	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05524	0.7
52.54839	0.7
57.03421	0.7
57.07230	0.6
69.03385	0.7
70.99828	0.9
73.02918	0.7
75.53674	0.7
82.99886	2.2
84.96897	0.8
85.02884	1.9
94.99857	1.2
97.02882	2.0
98.97587	1.7
101.00879	14.5
109.02901	1.3
113.00870	4.3
115.02431	1.5
116.98648	1.0
119.01924	19.9
121.02633	0.8
127.02419	1.9
129.00356	1.3
129.04013	1.1
131.01909	11.1
131.13094	0.7
133.03448	3.9
137.00720	0.9
137.02969	1.6
139.02383	1.7
143.01903	29.1
145.03502	11.6
147.01384	1.9
147.04346	1.5
149.02930	1.3
155.01888	20.5
157.03505	7.4
158.99590	1.0
159.01402	1.0
161.02953	23.1
167.01917	13.0
168.99789	5.2
169.03430	4.5
171.01410	1.3
171.04999	2.4
173.02954	22.9
175.04558	1.6
177.05455	1.8
179.01891	5.0
185.02954	44.1
187.00931	4.2
187.02965	0.7
187.04507	5.1
191.03986	2.7
196.99327	2.2
197.02948	16.9
199.00967	2.0
199.04434	1.1
200.07698	1.3
201.02458	3.2
201.07814	1.2
203.02252	1.4
203.03998	11.0
208.04514	1.3
209.02904	1.0
215.00383	7.8
215.03972	11.1
217.01968	2.7
219.03569	2.3
221.03152	1.0
221.04987	4.0
227.04031	8.4
228.05717	2.3
228.55873	1.3
229.02037	3.9
231.03494	3.6
239.03932	1.3
241.01773	1.6
244.89656	0.8
245.05078	100.0
246.05298	2.0
246.08293	2.2
247.02867	7.0
247.05128	1.0
247.08397	1.4
257.05099	6.2
259.02991	2.9
263.06125	11.1
271.02972	4.0
271.08417	0.8
275.02518	3.2
275.06097	11.6
281.07153	0.9
289.03909	10.0
291.05719	0.9
293.07071	2.3
299.02563	2.5
300.33078	0.8
301.04053	2.6
303.05505	1.9
305.07196	12.0
305.35794	0.7
307.05035	7.1
315.05728	1.4
319.05008	3.7
319.08560	1.0
321.06622	1.2
331.05026	9.2
333.06631	1.4
335.08197	4.4
337.06100	1.1
347.08279	0.9
349.06158	14.0
359.04550	2.8
361.06125	1.6
365.09290	18.7
377.05585	3.3
377.70432	0.9
391.07242	5.0
409.08334	3.8
409.13553	1.2
415.92776	0.9
430.73117	0.8
469.10266	2.6
483.11942	1.3
511.11475	11.6
539.10498	3.8
571.12726	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	570.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01880	0.7
55.05513	4.9
57.07069	0.5
58.06602	24.2
60.03123	0.5
60.04537	2.1
63.66069	0.5
67.05507	4.8
69.03432	0.9
69.07066	2.3
71.56521	0.8
72.08157	1.6
76.41997	0.5
79.05502	3.3
81.03418	0.6
81.07047	4.6
83.04983	30.8
83.08614	1.0
85.02902	2.3
85.06532	0.7
91.05473	3.4
93.07040	5.3
94.07374	0.6
95.04965	1.7
95.08610	6.5
97.06528	1.6
99.08116	0.6
100.07606	4.7
105.03443	0.5
105.07015	4.2
107.08594	7.6
109.06544	1.0
109.10168	5.5
109.90849	0.4
111.08090	1.1
117.07010	0.8
119.08581	7.7
119.51263	0.4
121.10131	4.0
123.08057	5.2
123.11697	1.3
128.06335	0.6
129.07016	1.1
131.08583	4.5
133.10138	5.8
135.08069	1.7
135.11697	2.1
141.06970	0.7
141.09074	1.0
143.08551	3.9
145.10132	5.8
147.08066	1.6
147.11691	4.0
149.09605	4.5
149.13268	1.1
150.71196	0.4
155.08594	1.0
156.09354	0.6
157.10144	4.3
159.08064	0.8
159.11707	4.1
161.09641	1.5
161.13306	2.1
163.11165	1.3
169.10139	2.2
170.60857	0.4
171.11688	3.3
172.12468	0.6
173.09706	0.9
173.13232	3.9
175.11232	0.8
177.09047	0.9
181.10146	1.1
182.11797	2.0
183.11719	1.9
184.12088	0.4
185.13280	2.8
185.14659	0.5
187.14886	2.2
189.12738	1.0
195.11705	1.5
197.13321	2.0
199.14839	2.1
200.11588	0.5
201.12773	2.3
203.14343	1.9
203.53615	0.5
205.15927	1.6
208.12463	0.6
209.13396	1.1
211.14885	1.5
213.12692	0.7
213.16460	1.2
215.14276	3.6
217.15950	1.5
221.13214	0.7
223.14861	1.5
225.16379	2.6
227.14343	0.6
227.17963	0.7
229.15967	1.1
233.13220	0.5
237.16501	1.1
249.16362	1.2
251.18054	0.7
253.19543	0.6
255.17511	0.5
269.18945	1.0
283.20633	0.6
293.22650	0.9
295.20508	0.6
309.18701	0.6
309.22177	0.9
311.23587	4.1
335.23813	1.1
379.26248	0.5
393.27896	1.5
395.25955	1.1
433.30963	6.7
451.32010	6.2
452.32117	0.7
492.34912	1.2
510.35608	3.3
570.37897	100.0
571.37903	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.9
55.01858	5.6
55.05507	31.7
57.03428	6.3
57.07080	67.2
62.39951	3.0
65.03938	7.0
67.05505	95.3
69.03083	3.7
69.03429	50.3
69.07066	30.5
69.73455	3.0
69.73821	16.2
70.96420	2.3
71.01361	3.5
71.04981	12.3
71.08289	3.4
71.08638	52.2
73.02913	6.2
73.06550	5.5
79.05064	5.1
79.05495	69.7
81.02985	3.9
81.03423	61.7
81.07063	100.0
83.04977	13.4
83.08630	19.9
85.02911	25.6
85.06537	7.6
85.10191	28.2
87.04459	7.1
89.06032	85.1
91.05486	56.7
93.07047	86.7
94.07346	3.8
95.04987	20.0
95.08607	72.9
97.02894	29.0
97.06509	9.1
97.10163	10.5
99.04443	9.5
105.04523	3.6
105.07041	44.6
107.04961	8.1
107.08602	42.6
109.02879	18.6
109.06505	8.3
109.10160	38.5
111.04425	10.6
111.08080	3.9
111.11745	4.6
113.06012	13.7
113.13280	4.5
117.07027	25.0
117.09146	4.6
119.08579	41.6
121.06525	5.6
121.10152	47.4
123.04487	3.8
123.08056	6.2
123.11710	11.6
124.99963	3.2
125.09629	5.9
125.13213	3.6
127.03916	13.2
127.14832	5.1
129.05513	4.3
129.06952	10.9
131.07039	5.8
131.08568	39.4
133.06468	4.4
133.08614	64.8
133.10135	27.9
134.09622	7.8
135.08073	4.2
135.11684	28.0
137.09622	5.7
141.06979	6.1
143.08553	15.5
145.04889	3.7
145.06509	6.0
145.10124	28.2
147.08041	6.2
147.11696	25.5
149.09567	3.2
149.13223	13.2
151.11194	5.2
155.08528	10.2
157.06580	3.8
157.08954	2.7
157.10086	13.0
159.08057	5.4
159.11708	21.5
160.11211	32.7
161.09578	6.8
161.11916	3.2
161.13239	17.0
163.11238	5.4
163.14810	6.0
165.09229	3.7
169.10095	7.1
171.11647	14.3
173.09587	4.1
173.13243	19.6
175.11201	6.6
175.14806	6.3
177.11211	28.0
178.12271	27.8
181.10072	5.6
183.11717	6.3
185.09750	3.8
185.13229	6.4
187.14804	9.1
189.12692	4.4
195.11700	3.6
197.13237	5.3
199.14839	9.3
201.12778	4.0
201.16368	4.2
203.14374	3.0
209.13184	5.0
213.12820	3.8
213.16396	3.9
221.13725	8.8
227.14323	3.0
231.13873	3.7
235.13242	6.1
243.21054	7.3
258.08871	18.7
259.20551	8.7
261.22110	21.0
271.26447	5.4
273.22098	6.8
277.21677	9.0
279.23376	3.2
283.17502	5.3
285.22104	5.5
289.21649	6.0
291.23233	6.8
301.21545	8.0
303.23135	18.5
315.23273	10.5
315.28888	4.7
319.22589	6.7
323.23843	3.6
327.19922	4.3
327.23322	4.5
341.24780	12.6
345.24042	6.6
351.23087	6.7
351.99631	3.0
359.25708	4.4
369.24258	31.1
371.22900	16.5
387.25302	39.8
405.26370	33.5
423.27481	16.8
492.82709	2.9
553.43201	33.1
569.57367	3.8
570.38171	23.4
570.46368	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	570.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67891	0.7
55.01872	1.3
57.03408	0.9
57.87888	0.8
65.03941	1.3
67.05479	1.0
69.03416	2.1
70.06543	0.8
70.28953	2.0
70.29366	1.2
71.04974	0.9
78.50513	0.7
79.05486	1.9
81.03368	0.7
85.02908	5.1
87.04457	0.9
91.05482	10.8
95.04966	1.4
97.02880	1.7
98.20800	0.8
102.04696	1.5
103.05481	4.7
105.03419	1.4
105.07030	5.5
107.04945	1.3
109.02889	0.8
109.10226	0.8
110.07153	0.7
115.03874	0.7
115.05495	3.9
117.07008	2.2
119.04942	14.4
122.03658	1.9
123.04436	1.3
123.08121	0.8
124.05247	0.8
127.03924	1.2
130.04120	2.3
131.04929	8.3
133.02863	5.8
133.06499	6.7
135.04420	1.6
136.06148	1.3
137.05986	32.9
143.04926	2.3
143.05969	0.8
145.02837	2.0
145.04935	1.3
145.06528	4.3
147.04411	12.9
149.05943	3.4
150.06789	4.7
151.03891	1.4
151.07516	2.1
153.05452	0.8
157.03931	0.7
158.03661	5.7
159.04456	1.0
160.05199	1.1
161.02281	1.1
161.05992	9.8
162.06758	10.9
163.07512	5.2
165.05551	1.0
170.95395	0.7
170.96819	0.7
173.06001	15.7
175.03960	5.3
175.07524	1.4
177.05624	3.8
177.06972	1.3
179.06972	4.1
185.06027	0.8
186.03160	5.0
189.05444	1.0
189.06992	1.1
191.07091	1.5
191.08568	1.1
193.04951	2.0
194.07251	0.8
201.05473	100.0
203.07089	1.4
205.06526	4.1
206.07259	1.2
207.06451	1.5
213.05495	2.3
217.06509	1.4
219.06522	32.7
222.06749	2.3
231.06500	5.6
233.05963	4.9
234.06781	4.6
237.09096	5.1
239.06976	0.8
247.07582	1.6
249.05449	1.5
249.09302	1.3
250.06328	4.5
251.07112	2.1
261.05469	1.7
262.06171	2.0
263.06955	1.3
264.07803	2.1
265.08585	12.5
266.09344	1.2
273.05478	1.0
277.05295	0.9
277.08652	2.7
278.05716	2.1
279.06470	1.0
279.10104	0.8
281.07898	0.8
283.09808	1.0
290.05603	1.7
292.07257	3.6
293.08105	8.7
294.08658	1.1
297.11200	3.2
305.08011	3.5
307.09653	9.2
309.11179	1.1
310.08432	2.0
322.08331	0.9
323.09137	10.7
325.10703	45.9
337.10623	7.5
343.11826	13.6
355.11749	33.1
373.12640	2.6
408.21881	2.3
570.27832	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.1
55.01873	2.7
57.03437	1.2
61.02916	2.9
62.53916	1.4
65.03938	2.0
67.05491	1.3
69.03413	1.9
69.72563	6.3
70.06604	2.9
77.03938	1.2
79.05497	2.6
79.75350	1.0
81.03419	1.7
81.07040	1.2
85.02915	5.7
86.06063	1.9
91.05489	20.5
93.07047	1.9
94.04182	1.1
95.04985	3.4
97.02885	2.9
98.06069	3.4
100.07621	1.4
102.04742	2.9
103.05477	10.9
105.03439	1.9
105.07043	10.1
107.04948	1.6
109.02925	1.3
109.06545	1.9
115.05463	4.4
117.07072	1.1
119.04960	19.0
121.06525	4.6
122.03663	3.0
123.04428	2.6
124.07555	1.2
130.04150	8.0
130.72754	1.0
131.04932	6.9
133.02878	3.9
133.06511	8.6
133.10101	1.1
135.04448	3.2
137.05988	100.0
141.07045	1.0
143.04903	1.3
145.02875	3.8
145.06485	5.6
147.04425	25.2
149.06027	6.3
150.06766	6.7
151.07507	5.4
151.11223	1.5
153.05446	2.5
158.03673	2.3
159.04431	1.8
161.06003	24.3
162.06775	34.3
163.07526	6.7
165.05449	1.8
168.13884	1.3
173.06020	11.7
175.03876	1.8
175.07613	1.8
177.05473	8.2
177.06880	1.4
179.07048	10.4
183.13228	1.0
186.03181	1.3
187.04178	1.1
189.05377	1.6
191.07040	3.2
193.04990	7.8
195.06528	2.0
201.05482	52.2
203.07047	2.3
204.04178	4.8
205.06548	3.8
207.06548	3.8
213.05542	1.3
219.06557	31.4
219.10172	4.1
222.06532	1.3
231.06534	4.0
233.06024	2.7
234.06729	1.8
236.16438	2.7
237.09131	3.5
247.07610	1.7
249.07573	3.8
250.06290	3.6
251.07135	1.3
262.06348	2.9
264.07806	2.0
265.08658	8.4
273.05341	1.4
277.08560	2.8
278.05496	1.5
292.07297	3.2
293.08109	6.5
294.09073	1.4
295.05759	1.2
297.11188	1.9
305.08139	3.8
307.09634	8.0
309.11340	1.4
310.08514	1.3
311.08987	1.3
323.09222	16.4
325.10724	26.2
337.10614	7.8
343.11798	25.2
346.22372	5.8
355.11755	27.5
373.12854	2.7
508.27820	5.8
552.30127	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	570.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.05507	4.9
55.25606	2.4
57.03451	3.8
67.05503	10.6
69.03426	4.7
69.07063	7.0
69.45123	12.5
69.45547	6.8
70.06589	8.3
71.04993	5.5
72.08175	2.6
76.09180	2.4
79.05499	9.9
81.03413	5.1
81.07057	13.4
82.06599	12.5
83.04977	3.2
83.08612	3.0
84.08174	3.9
85.02905	9.9
86.09736	3.4
91.05488	6.5
93.07053	8.3
94.06544	3.6
95.04984	5.0
95.08629	14.1
97.02915	4.9
97.06554	3.6
97.10175	3.6
98.20818	5.5
100.07629	39.8
105.07028	5.6
107.08614	11.3
109.02904	4.0
109.06536	5.1
109.10162	12.2
119.08603	8.1
121.06526	5.4
121.10190	5.5
122.06026	2.7
123.11719	3.2
127.03872	6.2
131.08611	6.1
131.28920	2.3
133.10083	5.7
135.11702	3.9
137.05972	5.2
138.09184	3.8
140.07088	4.1
145.04980	3.0
145.10158	4.6
149.09601	3.5
151.07584	4.7
153.09102	2.4
157.10086	3.2
159.11687	3.9
161.13295	2.9
163.07590	4.2
167.07066	3.8
167.10742	2.5
188.08186	2.6
191.17964	5.3
209.19006	3.6
214.65036	2.4
215.17754	3.5
225.10225	2.4
235.08635	13.0
236.09544	5.4
237.10269	5.9
249.10202	3.0
251.08224	10.1
251.20018	4.9
253.09656	3.1
253.13596	3.2
263.08145	7.7
264.08942	18.5
265.09763	27.4
266.10486	7.6
267.11197	4.7
269.21088	13.0
277.09695	6.2
279.07565	6.4
279.11273	6.7
281.09286	9.7
281.12515	3.0
287.22192	10.9
291.07755	3.3
292.08411	20.5
293.09241	17.5
294.10059	14.1
295.10873	10.1
297.12311	3.8
303.13470	2.4
307.07373	6.1
307.10770	33.6
308.11542	6.0
309.08661	12.8
309.12366	25.7
311.10709	2.7
319.10822	2.7
320.07886	4.2
321.08755	4.8
322.09451	7.4
323.10034	3.6
325.11838	5.1
334.23685	8.8
335.10254	32.5
337.11771	15.4
340.10367	4.3
341.11218	5.1
353.11237	5.7
363.09668	10.3
381.10858	89.4
382.11557	8.9
399.11984	19.5
413.13440	100.0
414.14471	12.8
431.14648	10.9
484.24808	4.2
488.14786	4.8
502.16022	7.5
520.17114	11.3
538.18237	12.0
570.20923	7.5
570.32294	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	569.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.8
55.01873	2.7
55.05514	16.0
57.07099	1.6
67.05515	20.7
69.03436	4.2
69.07066	4.7
69.39153	13.5
71.04987	1.6
71.89599	1.8
79.05500	17.9
81.03418	20.3
81.07066	15.4
81.22720	1.5
83.05010	12.7
83.08630	2.5
85.02908	11.5
91.05483	22.6
92.76319	1.6
93.07053	18.8
95.04959	20.3
95.08614	14.1
97.10172	2.4
105.07036	15.3
107.04975	5.2
107.08600	16.2
109.06526	5.9
109.10172	6.9
115.05470	1.9
117.07042	9.3
119.04975	3.1
119.08592	18.9
121.06510	7.6
121.10127	8.8
123.04437	5.5
128.06255	3.7
129.07007	6.4
131.04936	9.4
131.08588	12.8
133.06503	2.9
133.10164	11.2
135.08072	6.3
135.11739	3.8
142.07765	4.7
143.08554	9.1
145.06467	2.1
145.10126	14.2
147.04428	10.2
147.08072	12.4
147.11693	6.8
149.09628	3.0
153.06967	2.4
154.07794	2.3
155.08574	9.9
156.09361	3.7
156.80753	1.5
157.10126	17.7
158.10921	1.9
159.08058	11.0
159.11636	9.4
161.09631	31.3
161.13223	3.1
163.11168	5.1
165.06984	2.4
166.01465	1.9
167.08566	3.8
168.09259	1.7
168.61319	1.7
169.10141	21.8
170.10863	3.3
171.08028	4.4
171.11703	10.1
173.09584	13.6
173.13312	8.9
175.11221	8.4
179.08612	5.0
180.09473	3.0
181.10187	7.7
182.11018	1.7
183.11723	24.7
185.09642	5.0
185.13341	8.7
187.11169	10.1
187.14769	2.4
189.12793	3.7
193.10129	5.1
194.10934	4.3
195.11731	10.9
197.09621	5.7
197.13313	4.9
199.11234	4.5
199.14809	2.9
201.12761	8.3
206.10962	3.5
206.39906	1.7
207.11722	8.0
208.12515	3.5
209.13309	12.2
211.11284	4.2
211.14893	5.7
213.12755	4.4
215.10732	5.5
219.11545	2.3
220.12666	2.1
221.13260	8.3
223.11195	3.2
223.14880	8.4
225.12778	2.1
225.16289	1.8
233.13263	3.7
235.13295	5.4
235.15184	2.5
236.15607	2.4
237.16502	4.0
238.13536	5.6
241.15752	2.2
247.14793	1.8
249.16473	2.8
251.14168	2.7
251.18019	10.9
253.15817	1.8
261.12619	2.2
261.16318	3.0
263.17972	3.2
267.17603	2.4
269.19113	1.9
275.14362	1.9
277.19693	3.6
279.17526	3.2
289.15762	2.1
307.16931	6.4
307.20667	6.4
309.18509	4.7
315.17548	2.1
317.15491	2.6
319.20584	5.4
329.19040	4.0
331.20676	4.1
331.26468	2.7
335.23697	3.6
337.21548	5.5
345.22144	36.6
347.20084	100.0
355.20605	4.0
363.23215	34.2
365.21048	2.8
373.21613	14.2
381.24301	2.0
391.22641	24.7
405.30200	3.2
409.23810	5.8
427.25061	1.8
477.33856	1.8
509.29019	15.3
551.37115	2.8
569.31250	3.5
569.38519	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11351	1.8
53.03944	4.1
55.01867	8.5
55.05514	10.6
57.07081	30.3
61.59433	1.9
67.05505	9.5
69.03436	9.8
69.07066	5.3
71.63608	1.9
76.46121	1.9
79.05494	11.1
81.03441	9.6
81.07055	8.1
83.04984	14.1
85.06539	2.8
91.05482	24.6
93.07035	14.7
95.04990	12.3
95.08609	8.9
97.06573	2.6
98.20688	4.6
103.05440	2.8
105.03387	2.1
105.07042	24.5
107.04948	2.4
107.08624	11.9
109.06506	7.5
109.10163	4.6
115.05447	6.1
117.07043	15.8
119.07803	2.4
119.08597	32.1
121.06488	6.8
121.10155	6.9
123.08083	3.5
128.06221	9.0
129.07010	11.8
130.07780	2.5
131.04913	2.7
131.08601	17.3
133.06477	6.5
133.10150	15.9
135.08076	6.1
137.09598	6.0
141.06992	7.8
142.07738	8.0
143.08562	17.9
145.06482	8.7
145.10097	14.9
147.08054	33.6
147.11696	2.7
149.09630	8.9
153.06995	3.5
155.08574	11.4
156.09369	8.1
157.10155	16.4
159.08058	16.5
159.11678	9.9
161.05974	2.6
161.09618	32.2
163.07550	5.8
165.06967	9.1
165.09161	9.2
166.07791	3.8
167.08565	6.4
168.09402	2.9
169.06490	5.0
169.10136	12.0
170.10884	2.6
171.08064	8.8
171.11699	18.1
172.08813	2.4
173.06004	6.6
173.09648	18.8
173.13245	3.8
175.07535	3.6
175.11198	3.9
178.07680	3.1
179.08569	6.5
179.10683	4.9
180.09306	7.5
181.06444	3.0
181.10153	10.8
182.10854	2.6
183.08081	6.9
183.11719	14.0
184.08868	3.9
185.09602	11.9
185.13226	6.9
187.07593	4.3
187.11180	9.7
187.14806	3.3
189.09120	2.3
189.12817	2.2
190.07858	1.9
191.08562	3.2
192.09439	2.9
193.10191	12.1
194.11078	3.4
195.08009	6.6
195.11766	11.2
196.08830	6.9
197.09610	12.7
197.13292	8.1
198.10408	3.0
199.11208	14.0
201.09062	3.0
201.12689	4.6
203.08586	2.8
204.09286	3.2
205.10144	3.2
206.10957	4.5
207.11668	7.8
209.09709	9.9
209.13286	6.1
210.10416	2.5
211.11169	16.1
211.14775	2.1
213.09081	2.9
213.12773	10.9
215.08652	4.4
215.14272	4.0
216.09348	3.1
217.10165	3.3
219.11723	5.0
220.12544	2.6
221.09515	3.4
221.13234	5.4
222.10327	2.6
223.11243	23.0
225.09137	2.5
225.12727	5.2
227.10657	2.9
227.14337	2.2
229.10193	4.2
229.12160	10.8
230.10939	2.4
231.11714	5.3
231.13824	3.5
232.12383	4.8
233.09605	6.8
233.13193	4.9
234.10246	2.6
235.11169	5.1
235.14781	5.2
237.12805	8.0
239.10663	5.5
241.12259	4.8
243.11627	7.6
243.13806	2.4
244.12418	4.4
245.09686	2.6
245.13300	7.3
246.10303	3.5
246.13985	2.9
247.11125	7.6
247.14964	3.8
248.11967	4.7
249.12730	7.5
249.16409	3.7
250.13422	2.5
251.14183	3.8
253.10071	2.2
255.11693	4.8
256.12415	4.7
257.13239	5.7
258.10410	3.5
259.11197	5.4
259.14941	4.4
260.12039	5.0
261.12704	8.5
261.16333	2.7
262.13712	2.4
263.10696	3.2
263.14304	11.6
265.12320	2.5
269.09512	3.5
269.13214	5.0
270.13962	3.2
271.11160	2.6
271.14639	4.2
272.11847	3.9
273.12698	7.6
274.13568	4.6
275.14337	8.6
275.17749	3.5
276.14795	2.2
277.15894	4.0
280.12521	2.7
281.12958	2.6
282.10440	2.5
283.11169	8.1
283.14438	3.3
284.11865	3.1
285.12729	4.5
285.16290	3.8
287.14301	7.9
288.15112	4.3
289.15729	5.7
291.17404	3.0
295.14731	4.5
297.12729	8.0
298.13681	9.2
298.16736	2.0
299.14282	6.3
300.15240	2.7
301.12354	4.2
301.15790	4.9
303.14078	2.4
303.17313	10.2
309.12766	6.7
310.17181	2.5
311.14273	8.3
312.15042	5.5
313.12732	3.0
313.15887	18.5
314.13196	2.4
314.16660	3.8
315.17374	3.2
317.18964	2.3
321.14798	2.7
321.18457	4.6
323.14328	10.4
324.14978	4.2
325.15848	3.9
326.16339	2.6
327.17514	9.2
328.18210	5.1
329.15387	5.2
329.18954	7.2
331.16898	8.0
338.16592	6.1
341.15225	3.8
341.18964	7.6
343.20587	13.0
345.18381	13.0
347.20001	3.6
353.18954	18.8
354.48709	2.9
356.17645	4.7
359.16199	4.2
359.20209	4.5
361.21649	9.1
363.19467	4.1
363.82339	2.2
364.83337	2.5
371.20096	44.6
374.18643	3.9
377.21027	5.2
389.16119	3.8
389.21167	74.2
392.19812	2.3
407.22223	42.0
425.23373	2.5
431.21967	3.0
449.23312	31.4
467.24271	8.7
516.33264	2.1
551.30084	100.0
569.26324	2.3
569.31458	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	569.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01877	12.6
55.05511	14.6
57.07069	2.9
67.05484	4.5
69.03413	1.6
69.07046	2.8
79.05490	6.0
81.03402	4.3
81.07059	5.1
83.04977	20.2
83.08601	2.8
91.05481	21.9
93.07058	7.6
95.04951	4.4
95.08591	4.8
103.05478	3.4
105.06382	2.0
105.07037	23.4
107.04926	3.8
107.08603	6.9
109.06501	2.0
109.10165	5.8
115.05471	5.7
117.07020	18.3
119.04951	1.3
119.08585	20.2
121.06467	2.6
121.10138	8.5
128.06218	5.3
129.07008	20.9
130.07785	8.8
130.55731	1.2
131.04965	1.6
131.08588	14.0
132.05737	1.3
133.06474	2.8
133.10126	15.7
135.08008	1.4
135.11668	1.7
140.44948	1.0
141.06990	3.0
142.07779	4.1
143.08566	15.2
144.05734	1.8
145.06493	13.8
145.10121	20.3
147.08051	82.2
147.11693	5.4
149.09618	3.9
152.06129	1.3
153.07027	1.6
155.06038	1.3
155.08553	6.0
156.09337	7.8
157.10123	25.2
158.07274	9.0
158.10835	1.2
159.08055	13.3
159.11700	15.6
161.09612	10.5
161.13258	2.9
163.07545	3.4
163.11139	1.8
165.06964	1.7
165.09071	1.5
167.08557	2.4
169.10136	5.0
170.10909	9.3
171.08051	4.2
171.11696	26.9
172.12439	1.7
173.09630	65.6
173.13252	7.1
175.07607	1.8
175.11145	4.2
177.09128	2.3
179.08514	2.0
181.06546	1.1
181.10167	3.6
183.08009	1.9
183.11708	5.3
185.09630	4.7
185.11620	1.4
185.13261	27.9
187.07544	2.0
187.11133	2.5
187.14786	4.9
189.09155	1.7
189.12746	3.8
191.10620	2.4
192.09351	1.4
193.10129	2.9
195.08049	1.8
195.11665	2.7
197.09645	4.2
197.13217	5.8
199.11130	2.7
199.14822	16.1
201.12790	2.1
201.16304	1.6
203.08739	1.3
203.10670	3.3
203.14374	2.7
204.11446	2.1
205.10184	1.8
207.11739	5.2
209.09586	1.7
209.13264	4.0
210.10222	1.6
211.11191	4.2
213.12675	3.3
217.12213	6.6
217.15857	2.8
219.11670	3.4
219.13826	8.1
221.09561	2.0
221.13222	2.7
223.11157	4.5
223.14761	2.4
225.12694	2.6
227.14241	1.8
230.10870	1.7
231.11801	2.1
231.13831	6.5
233.13272	2.8
234.14038	1.3
235.11092	2.5
235.13283	4.3
235.16936	1.9
237.12721	3.7
237.16505	1.4
243.13872	1.9
244.12486	1.5
245.09752	1.2
245.13272	1.9
245.15387	26.6
246.10349	1.6
246.16141	2.3
247.11168	3.9
247.14922	2.5
248.11816	1.6
249.12697	2.5
258.10501	1.3
259.11008	2.3
259.14935	2.1
260.11969	1.9
261.12686	5.8
261.16473	1.3
262.13562	1.7
263.14099	2.0
263.16464	11.3
265.12280	2.1
270.14044	1.3
273.12671	3.1
273.16467	1.7
274.13379	2.5
275.14359	5.6
276.15002	1.5
277.15775	1.7
287.14246	2.8
288.15021	1.6
289.15762	4.2
291.17230	2.1
295.13251	1.8
301.15793	3.9
302.16721	2.0
303.13971	2.6
303.17471	5.6
305.15332	1.4
307.13260	2.5
316.18164	2.1
317.19000	3.5
321.14746	4.6
321.18286	1.1
331.16922	1.7
331.20508	21.0
332.21402	3.3
333.18585	1.2
345.22168	2.9
349.17926	7.6
349.21628	2.7
363.23077	1.7
373.21722	15.5
391.22687	100.0
392.23334	1.1
405.20648	1.8
409.23798	25.9
423.22275	1.1
469.22006	3.3
491.27753	3.3
551.27924	1.0
569.27563	7.0
569.37872	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	569.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01874	9.6
55.05517	12.4
65.03949	1.8
67.05511	7.6
69.03437	3.6
69.07056	3.0
70.06537	1.6
71.55833	2.0
72.69298	1.5
79.05519	8.6
81.03415	5.9
81.07063	8.7
83.04980	19.5
89.49944	1.4
91.05480	21.5
93.07065	9.2
95.04970	10.4
95.08596	7.1
96.35303	1.6
97.06537	1.7
103.05463	4.9
105.03391	16.4
105.07034	20.2
107.04974	3.4
107.08595	12.7
109.06517	3.2
109.10151	7.8
115.05450	7.0
116.06216	2.2
117.07022	14.7
119.08578	22.8
121.06478	2.4
121.10134	6.7
127.05339	1.7
128.06233	4.6
129.07021	18.5
130.07779	6.9
131.04968	8.6
131.08572	12.7
132.05673	1.8
133.10135	23.0
135.08006	2.6
135.11690	3.1
141.06989	3.7
142.07748	5.6
143.08572	14.6
144.05653	2.4
144.09389	2.0
145.06471	11.1
145.10129	18.0
145.25105	1.9
147.08052	100.0
147.11685	6.6
149.09612	5.4
153.06970	1.9
153.09077	4.7
155.08548	6.4
156.09315	5.3
157.10130	25.7
158.07288	6.4
159.08107	11.7
159.11697	16.2
161.09613	18.3
161.13216	2.7
161.37161	1.5
163.07578	3.8
163.11183	2.5
168.09387	2.5
169.10114	6.4
170.10873	9.9
171.08089	4.1
171.11678	26.8
173.09628	39.8
173.13188	8.4
175.07526	1.7
175.11217	6.0
175.14854	3.3
176.43629	1.6
177.09055	2.7
179.08557	3.7
181.10117	3.9
182.10910	2.6
183.11742	8.5
184.12402	2.8
185.09605	5.3
185.13251	28.6
187.11191	7.1
187.14830	5.8
189.12730	3.0
193.10158	3.8
194.10889	1.9
195.11664	2.6
197.09639	3.9
197.13216	9.7
199.11180	5.0
199.14833	20.7
201.09019	1.9
201.12776	3.2
201.16331	2.4
203.10701	2.1
203.14325	3.6
205.10159	2.6
206.10872	2.5
207.11697	2.9
208.12491	1.7
209.09671	2.8
209.13246	6.7
211.11177	2.3
211.14879	2.0
213.12732	3.8
217.08644	2.6
217.12242	3.7
217.15808	3.3
219.11775	2.9
219.13760	4.1
221.09882	1.8
221.13231	3.8
222.10310	1.6
223.11200	7.2
223.14784	3.8
225.12671	2.8
225.16429	1.9
227.10791	1.8
227.14246	3.9
231.13840	4.4
232.02116	1.7
233.13342	3.3
235.11273	1.8
237.12782	3.9
237.16447	3.8
239.10666	3.9
241.12202	1.6
243.13719	2.0
245.13147	2.3
245.15379	25.7
246.10367	2.0
246.14102	1.7
247.11166	2.4
247.14763	3.2
249.12796	2.0
249.16443	2.2
251.17998	2.1
260.11969	1.9
261.12723	3.5
261.16348	1.9
262.13428	2.8
263.16284	8.5
265.12228	2.3
265.15918	2.3
275.14514	3.8
279.13831	2.6
289.15665	4.0
289.18652	1.7
291.17651	2.2
297.14944	3.2
301.15683	3.3
303.13770	3.0
303.17261	3.2
317.19208	2.7
321.14886	2.2
327.17145	1.9
331.17032	1.9
331.20523	8.8
332.21228	2.3
345.18524	1.9
345.22079	8.7
349.17908	6.4
369.18408	3.4
373.17175	2.6
373.21506	13.6
387.19482	5.6
391.22699	64.1
405.20380	2.6
409.23785	16.6
423.21643	2.4
429.20224	2.1
433.30649	1.7
451.32199	2.4
480.28159	3.8
569.25757	1.9
569.38470	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	569.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.3
55.01860	10.5
55.05514	67.3
67.05493	22.0
69.03437	46.6
69.07071	8.3
70.06541	18.3
79.05510	26.6
79.05899	5.4
81.03407	15.2
81.07044	23.6
83.04984	100.0
85.02892	7.2
91.05481	64.2
93.07087	26.4
95.04954	41.0
95.08614	18.6
97.02909	6.8
103.05469	21.4
105.03384	21.2
105.07045	62.1
107.08604	29.9
109.06528	11.9
109.10146	6.5
111.04429	7.4
115.05457	17.1
117.07025	32.3
119.04933	5.7
119.08586	81.5
121.06499	18.6
121.10165	14.3
128.06209	18.2
129.07011	27.6
130.07832	6.0
131.04903	31.8
131.08562	50.6
133.06490	18.7
133.10146	39.0
135.08022	21.3
136.79631	4.8
141.06966	12.2
141.72092	4.6
142.07751	15.8
143.07704	4.4
143.08569	39.7
144.09319	6.3
145.06534	25.4
145.10124	31.4
147.08055	43.4
149.09618	34.5
151.07629	5.2
153.07025	9.6
155.08560	16.9
156.09328	29.7
157.06581	7.6
157.10143	66.1
159.08072	48.0
159.11717	40.3
161.06006	18.6
161.09595	24.9
163.07567	24.0
165.06982	19.2
166.07680	7.8
167.08606	18.1
168.09344	9.6
168.48215	4.8
169.10112	34.6
170.10873	16.4
171.08096	14.7
171.11700	59.2
172.08693	7.4
173.06030	9.4
173.09618	26.9
173.13277	17.2
175.07603	26.1
177.09109	19.2
179.07127	9.7
179.08603	18.8
180.09332	15.0
181.10124	19.2
183.08067	18.0
183.11722	58.4
184.08846	9.5
185.09679	26.0
185.13274	40.7
187.07664	10.1
187.11189	20.8
189.05533	6.0
189.09082	12.5
191.10774	8.3
193.10135	21.5
194.10915	9.7
195.08124	9.0
195.11674	22.3
197.09627	18.0
197.13248	13.3
199.11163	34.7
201.09065	13.3
201.12794	9.8
202.08008	6.1
203.08563	7.2
203.10542	9.1
205.10150	11.4
206.10883	13.1
207.11681	24.6
208.08923	6.3
208.12395	6.1
209.09612	18.1
209.13251	16.7
210.10492	6.8
211.07634	6.6
211.11150	35.2
213.09189	8.2
213.12752	47.9
215.10672	14.8
216.09338	8.5
217.10141	15.9
217.12099	8.8
218.10901	7.0
219.11679	12.9
220.12553	7.9
221.13255	20.7
223.11121	31.9
223.14771	6.1
224.12018	8.2
225.09181	7.3
225.12798	8.7
227.10561	11.6
229.10217	12.0
229.12289	17.1
230.10864	14.4
231.11639	15.6
231.13876	16.9
232.12341	8.8
233.09613	9.9
233.13275	12.4
233.15346	6.9
235.11211	12.3
235.14804	10.6
237.12784	16.0
237.16066	5.1
241.10168	7.5
241.12297	7.3
242.10947	6.2
243.11641	20.5
243.13840	9.8
244.12378	12.0
245.09622	7.6
245.13338	12.0
245.15439	9.4
247.11172	11.8
247.14873	8.2
249.12738	8.5
255.11571	12.8
255.14027	5.6
257.13257	16.0
258.14114	12.0
259.14816	6.9
260.12018	7.3
261.12708	15.9
263.14246	20.8
265.12073	5.8
268.12381	9.3
269.13309	14.4
271.14813	12.8
272.11969	6.2
272.15698	6.6
273.12338	5.5
273.14767	9.4
273.16959	6.8
274.13297	10.1
275.14276	12.9
276.14694	6.0
276.66757	5.2
277.12292	6.3
279.13998	5.2
283.14856	9.5
285.12769	12.5
285.16296	12.8
286.13495	10.2
287.14279	18.5
289.15848	12.5
296.11975	10.1
297.12866	34.2
297.15747	5.9
298.13461	7.1
299.14417	8.5
301.15695	19.7
303.13928	6.4
303.17258	8.3
310.13602	13.8
311.14539	27.2
312.15030	23.9
313.15894	11.5
313.19418	7.0
315.13690	7.4
315.17230	10.0
317.15555	7.4
319.16675	7.2
321.18497	8.8
325.15887	16.5
326.16675	19.4
327.13739	10.1
327.17496	15.1
329.15363	7.2
331.16940	29.5
331.20355	8.0
333.18393	14.5
335.20074	7.0
341.15253	11.9
341.18976	67.9
343.17010	11.9
345.18402	23.0
349.17801	17.8
355.16656	6.9
357.18448	9.3
359.16351	6.4
359.20142	31.6
361.17648	7.2
363.19534	17.2
369.18484	21.8
373.17917	27.4
377.17136	8.3
377.21390	13.1
387.19525	38.5
391.18777	28.7
403.18921	10.3
405.20728	36.7
409.19666	9.4
419.18671	12.4
420.78989	6.7
421.20218	8.8
423.21613	23.1
437.19720	7.7
447.21707	7.1
449.23410	6.7
451.20972	27.1
465.22952	27.2
469.22183	27.7
551.26459	62.9
569.25751	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	569.2742
Annotation	Casearborin B
Peak:m/z	Relative Intensity
53.03951	3.9
55.01858	17.9
62.29863	3.0
67.05490	6.2
69.03425	40.0
69.07045	10.5
69.21952	32.1
71.04959	4.5
79.05485	14.6
81.03429	14.9
81.07050	6.5
88.54298	3.0
91.05482	28.2
93.07049	17.4
95.04956	13.8
95.08636	5.4
97.06530	5.5
98.20763	5.2
100.08866	2.8
104.33443	2.8
105.07061	20.6
107.04977	5.2
107.08583	13.1
109.06520	9.4
115.05453	10.3
116.06262	3.6
117.07009	23.1
119.08584	36.7
121.06502	5.9
121.10133	6.4
121.62449	3.2
127.28201	3.0
128.06203	17.3
129.07027	22.8
130.07819	3.1
131.08554	28.1
133.10152	26.1
135.08031	8.2
137.09515	4.5
141.07007	5.5
142.07761	13.3
143.08540	26.9
145.06500	29.6
145.10152	18.4
147.06937	6.2
147.08054	100.0
147.11673	6.6
149.09581	8.9
155.08562	11.1
156.09323	12.0
157.06525	4.8
157.10104	36.2
158.07243	5.7
159.08057	51.5
159.11708	9.0
161.09616	50.4
163.07579	15.3
165.07022	5.9
167.08414	3.0
169.10071	15.3
170.10928	7.4
171.08090	19.9
171.11693	45.7
173.05969	9.6
173.09630	24.7
173.13277	3.9
175.07565	17.2
175.11177	6.6
177.09171	4.2
179.10696	8.4
181.10129	8.8
183.11760	18.1
185.09685	26.2
185.13254	27.4
187.07594	5.6
187.11174	14.5
189.09174	7.1
191.10617	6.8
193.10118	7.2
194.11098	4.0
195.07947	5.9
195.11673	7.3
197.09517	11.2
197.13242	7.8
198.10416	7.4
199.11237	23.2
200.11992	3.8
201.09052	6.2
201.12816	7.5
203.08815	3.2
203.10634	5.6
203.14342	3.9
207.11784	6.1
209.09608	7.5
209.13319	4.1
211.11171	9.3
211.14874	3.6
213.12781	43.0
215.10713	16.9
217.08554	11.6
217.12181	5.3
219.11826	4.7
221.09561	3.3
221.13266	4.6
223.11143	5.1
225.09198	4.1
225.12741	7.2
227.10611	8.9
229.12277	9.9
230.10910	5.4
231.10065	4.9
231.11850	3.8
231.13799	41.9
235.11195	5.3
237.12767	9.5
239.10692	5.7
241.12318	17.4
243.09995	15.7
243.13858	5.7
243.35945	3.4
244.12479	3.5
245.09494	4.3
245.11618	20.8
246.14365	3.6
247.11179	6.3
249.12657	6.1
249.14961	7.1
253.12213	5.6
255.13969	3.5
259.10956	4.7
259.13269	37.7
261.12762	6.3
272.12018	4.1
273.12787	9.0
275.14282	3.3
277.12250	3.1
277.14410	32.2
279.13821	6.2
286.13596	5.9
287.14294	7.9
289.12320	5.4
289.15848	3.9
293.15482	4.9
297.12534	5.9
299.14273	5.5
301.15720	8.9
303.17499	3.6
307.13162	4.3
309.14755	7.0
311.14313	4.4
313.15646	11.2
315.17365	7.9
317.18961	7.0
326.16513	3.4
327.17664	18.1
329.18979	7.0
331.20605	4.0
337.17459	3.7
341.18936	13.0
345.18475	12.5
351.17075	3.6
354.16074	5.0
357.18820	3.7
359.20123	13.2
363.19568	6.1
369.18442	11.6
375.19412	17.0
377.21140	20.3
387.19580	73.9
393.20578	6.3
405.20618	91.7
423.21664	51.8
447.21457	10.3
465.22787	28.9
483.23605	14.7
491.24219	6.7
551.26642	28.0
569.27460	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	569.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62719	3.8
53.03938	6.9
55.01875	20.8
55.05516	6.5
67.04195	3.8
67.05483	9.9
69.03433	49.4
69.07049	9.5
70.99693	9.5
73.50901	3.4
79.05492	17.1
81.03411	19.7
81.03791	3.5
81.07040	11.6
83.04977	9.8
91.05478	46.2
92.68939	3.2
93.07035	15.4
95.04974	21.0
95.08602	7.3
95.27327	3.5
97.06512	4.0
103.05446	8.2
105.07042	33.1
107.04946	6.3
107.08588	12.7
109.06498	15.1
109.10117	6.4
115.05441	14.6
117.07008	28.4
119.07796	4.9
119.08592	53.4
121.06473	9.3
121.10126	8.8
128.06195	15.8
129.07019	30.6
130.07742	7.7
131.04926	8.1
131.08583	35.3
132.05690	4.4
133.06522	8.8
133.10135	38.0
135.08061	10.0
137.09668	4.7
141.06990	11.8
142.07744	16.0
143.08582	35.7
144.05627	5.1
144.09349	4.8
144.31384	3.8
145.06508	28.1
145.10143	26.9
146.07193	4.8
147.06935	6.6
147.08058	100.0
147.11620	5.9
149.09630	12.4
153.07033	4.5
155.08545	15.1
155.93178	3.8
156.09351	22.8
157.06535	5.3
157.10127	41.3
158.07260	9.6
159.08058	47.8
159.11681	11.2
161.05952	4.4
161.09627	65.5
163.07556	14.5
163.11125	4.5
165.07007	4.9
167.08562	8.4
168.09352	5.2
169.10100	15.5
170.10919	12.6
171.08105	20.1
171.11690	67.0
173.05989	12.1
173.09616	36.6
173.13173	5.6
175.07605	16.7
175.11203	5.7
177.09077	7.5
179.08554	6.2
179.10680	12.2
180.09323	4.4
181.10072	8.0
183.11684	37.1
184.08881	5.4
185.09627	27.4
185.13232	51.9
187.11206	21.5
189.09099	10.5
191.10602	7.0
193.10109	12.2
194.10878	5.8
195.07976	5.6
195.11699	14.2
197.09631	19.0
197.13268	12.4
198.10391	6.8
199.11165	33.6
200.11935	6.8
201.09125	9.2
201.12747	8.2
203.10515	4.2
206.10912	4.7
207.11694	12.7
209.09608	8.7
209.13239	10.2
211.11180	11.7
213.09175	6.7
213.12743	50.3
215.10677	8.5
217.08575	10.7
217.12265	9.5
218.11032	5.1
219.08183	4.8
219.11806	7.0
220.12337	5.1
221.09775	6.1
221.13284	7.7
223.11154	9.3
223.14760	5.2
225.09105	5.5
225.12636	6.2
227.10649	7.0
229.10136	5.8
229.12239	9.5
230.10852	5.6
231.10033	5.5
231.11896	5.4
231.13832	53.4
232.12524	3.9
233.11574	4.7
233.13512	5.9
235.11079	8.5
237.12730	9.5
239.10687	7.6
241.10101	4.1
241.12164	21.1
242.10907	4.0
243.09946	18.3
243.13818	5.2
244.12453	4.8
245.11545	24.3
247.11113	6.4
249.12666	7.8
249.14851	5.6
251.10747	5.2
251.14308	5.5
256.12491	3.9
257.13422	6.9
258.14175	4.1
258.36649	4.0
259.11011	5.6
259.13223	37.2
261.12808	8.1
263.14386	5.6
270.14145	4.9
271.11151	4.3
271.14938	6.0
272.15726	4.0
273.12659	6.9
274.13538	4.9
275.14304	6.2
277.14392	28.7
279.13788	5.7
284.15683	4.7
285.12686	6.4
285.16446	6.6
286.13446	4.3
287.14297	6.8
291.13568	4.2
297.12723	11.4
299.14267	4.9
300.14938	5.3
301.15741	10.7
303.13797	4.0
309.14807	7.2
311.14337	6.0
312.14975	4.5
313.15778	13.5
315.17355	9.9
317.15616	5.1
317.18906	7.2
327.13962	5.0
327.17480	24.1
328.18091	5.2
329.15359	9.5
329.19089	5.2
341.15149	3.9
341.18976	10.5
343.16861	4.1
345.18494	11.9
347.16205	7.3
354.35129	3.6
359.19992	9.3
361.17996	5.2
363.19559	6.2
369.18353	13.2
375.19287	12.5
377.21246	18.7
387.19547	78.3
393.20383	5.4
395.22278	5.0
405.20630	93.7
423.21634	40.4
447.21811	10.9
463.48499	3.6
465.22900	26.9
483.23581	15.0
491.24319	5.0
533.25281	4.4
551.26385	24.0
569.27374	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	568.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.5
53.03944	3.0
55.05521	12.3
57.07064	9.4
59.04989	3.3
65.03918	2.9
67.05511	16.7
69.03443	3.4
69.07069	15.1
69.94789	5.5
69.95190	11.2
70.06581	3.7
70.64101	2.2
77.14284	2.7
79.05497	25.4
80.06262	5.6
81.07058	42.6
83.04959	4.5
83.08613	5.8
85.06548	4.4
85.10217	2.7
88.07626	4.6
91.05486	44.6
93.07046	47.9
94.07801	3.5
94.08615	2.5
95.04980	39.9
95.08611	25.6
102.09178	6.1
103.05514	5.2
105.07044	92.8
106.07841	6.0
107.08601	44.5
109.10153	18.8
115.05442	3.3
116.06306	3.0
117.07039	27.5
119.08594	100.0
119.09460	4.7
120.09341	8.8
121.10145	35.5
122.46272	2.4
123.08098	16.5
123.11731	6.6
128.06226	10.5
129.07005	16.3
130.07764	6.8
131.08582	52.5
132.09352	7.9
133.10146	51.8
134.10876	5.8
135.08043	5.8
135.11723	15.0
137.09619	5.8
138.10403	8.9
141.07019	6.2
142.07774	14.3
143.08569	43.9
144.09380	13.6
145.10139	84.5
146.10899	5.7
147.11702	20.5
149.09579	6.6
149.13278	4.5
153.07091	4.9
155.08589	20.4
156.09378	18.0
157.10136	45.3
158.10921	11.5
159.11713	39.2
161.09662	5.7
161.13322	6.7
163.11201	4.4
165.07054	4.7
166.07648	3.3
167.08586	8.9
168.09328	5.9
169.10146	28.5
170.10925	10.1
171.11679	33.3
172.12477	7.1
173.13272	28.0
175.14862	16.1
177.12766	4.3
179.08604	7.2
180.09346	5.8
181.10127	14.5
182.10950	11.0
183.11734	27.9
184.12476	5.5
185.13292	30.0
186.14076	7.6
187.14865	13.4
189.12656	3.8
191.14317	9.0
192.09407	3.3
192.15112	3.9
193.10141	8.5
194.10945	6.4
195.11710	13.5
196.12488	7.7
197.13252	26.8
198.13998	6.9
199.14793	11.9
201.12743	4.8
201.16414	7.4
203.14497	3.4
206.10866	4.4
207.11737	11.9
209.13272	27.3
210.13966	3.6
211.14821	17.6
213.16373	3.8
217.15916	4.4
219.17384	3.3
221.13335	9.8
223.14793	12.5
224.15588	4.3
225.16309	8.7
227.17928	3.5
235.14804	7.5
237.16527	7.1
239.17934	5.0
249.16299	5.2
251.17894	3.5
252.18661	3.3
257.19101	3.4
265.19522	6.1
267.21112	3.4
271.20795	2.7
277.19623	2.7
279.21225	3.4
283.20566	4.3
283.26132	3.3
284.29437	11.6
311.29416	9.4
312.32712	5.5
323.23593	5.7
337.25275	3.9
338.26059	52.9
430.32101	12.5
456.06503	3.1
458.34933	2.8
476.36606	22.0
568.42822	42.0
568.56683	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	568.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.6
55.05507	8.7
57.07087	17.3
59.04984	3.2
65.03932	3.5
67.05522	16.2
69.07066	13.9
70.06586	8.0
71.08623	3.1
71.28139	3.8
79.05479	21.2
80.06247	3.0
81.07058	29.9
83.04963	3.5
83.08608	10.5
85.06551	4.3
85.10170	3.8
86.40305	3.4
88.07637	11.1
91.05485	45.4
93.07048	49.7
95.04976	42.2
95.08604	28.5
102.09164	5.1
102.94978	3.5
105.07034	80.8
107.08598	42.4
109.06516	5.5
109.10178	16.3
110.86752	3.3
117.07030	27.6
119.08591	100.0
120.09365	7.6
121.10133	31.2
123.08083	13.8
123.11686	6.9
128.06239	10.0
129.06990	14.3
130.07758	8.3
130.19342	2.8
131.08586	51.8
132.09303	9.4
133.10135	57.9
133.70305	3.1
134.10976	7.6
135.08072	7.4
135.11690	18.1
138.10376	7.0
141.07025	7.1
142.07803	15.1
143.08575	46.1
144.09338	12.7
145.10132	97.4
146.10907	6.1
147.11673	23.5
149.09599	3.7
155.08582	14.2
156.09315	15.4
157.10132	59.5
158.10925	10.0
159.11697	41.3
160.12465	5.7
161.09608	5.7
161.13176	8.7
163.14700	3.7
167.08546	5.4
168.09378	7.5
169.10153	33.5
170.10947	8.9
171.11696	38.3
172.12369	6.6
173.13258	32.9
175.14824	22.0
177.12761	7.0
179.08585	8.1
181.10143	11.8
182.10965	7.0
183.11746	27.7
184.12459	6.3
185.13278	24.3
186.14124	6.2
187.14825	16.7
189.12704	6.5
189.16559	4.4
191.14346	12.1
192.09439	3.3
193.10106	5.7
194.10922	10.3
195.11690	20.3
196.12482	9.5
197.13280	26.1
198.14082	6.6
199.14844	13.5
201.16388	5.6
207.11693	11.6
208.12514	3.9
209.13266	25.3
211.14807	12.3
213.16411	4.3
217.15834	3.8
221.13245	6.7
223.14822	13.7
224.15639	4.2
225.16428	12.1
235.14835	10.3
237.16454	8.1
239.17920	7.7
241.19478	4.3
249.16516	3.6
251.18018	4.4
259.20874	3.7
261.16205	5.9
263.18015	5.0
271.20532	4.0
275.17984	3.4
277.19504	5.7
283.20502	3.8
283.26230	7.7
284.29456	16.9
311.29529	12.8
312.32520	6.2
323.23773	7.5
332.82800	3.4
338.26053	44.1
430.32285	19.1
476.36551	26.0
568.42798	44.0
568.56531	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	568.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.05513	8.5
57.07075	6.7
59.05012	1.2
62.45443	0.8
65.03934	2.8
67.05506	16.9
69.03423	2.5
69.07069	13.4
71.04961	1.3
71.47393	1.4
72.87636	0.8
76.20086	0.7
77.03928	1.5
78.04691	0.8
79.05141	0.5
79.05494	23.6
80.06268	3.2
81.07056	34.1
83.04989	2.4
83.08636	4.4
85.06548	3.8
88.07639	1.0
91.05482	37.6
92.06275	2.7
93.07047	50.3
94.07841	1.9
94.43320	0.7
95.04971	42.1
95.08610	24.4
96.08958	0.8
97.06524	2.2
97.10175	1.1
103.05471	3.2
105.07033	77.8
106.07875	5.3
107.05041	1.4
107.08598	43.7
108.09402	1.7
109.06532	4.9
109.10157	18.1
111.08084	1.8
115.05445	4.7
116.06252	2.0
117.07021	26.2
118.07829	2.8
119.08584	100.0
120.09401	8.1
120.56940	1.0
121.06533	1.3
121.10145	31.4
122.07312	0.8
123.08076	14.6
123.11715	6.3
125.09632	3.0
128.06221	9.4
129.07013	16.9
130.07799	11.9
131.08572	45.4
132.09344	11.0
133.06519	0.9
133.10136	53.9
134.10944	7.2
135.08073	5.3
135.11693	17.3
137.09619	5.1
137.13319	0.9
138.10402	8.4
139.11206	2.1
141.06982	6.5
142.07787	16.3
143.07602	0.7
143.08563	43.9
144.09337	12.8
145.10127	81.2
146.10922	6.3
147.08051	2.2
147.11690	22.5
148.12350	0.9
149.09619	5.5
149.13260	3.5
151.11172	4.2
153.07051	3.0
154.07791	2.7
155.08556	15.0
156.09341	15.3
157.10133	49.0
158.10919	10.8
159.08044	1.7
159.11705	36.7
160.12450	2.7
161.09622	7.5
161.13257	7.5
163.11224	2.9
163.14763	1.1
165.07013	4.5
165.12766	0.9
166.07785	2.4
167.08569	8.0
167.39339	1.0
168.09366	7.2
169.10136	28.5
170.10913	7.7
171.08176	1.0
171.11696	31.1
172.12482	8.1
173.09674	1.1
173.13275	27.6
174.13968	1.9
175.11270	1.2
175.14832	18.3
175.16255	1.2
177.12743	7.1
179.08583	8.3
180.09357	4.0
181.10117	12.9
182.10918	9.5
183.11702	25.7
184.12502	3.9
185.09692	0.9
185.13260	23.3
186.13985	5.5
187.11238	1.6
187.14815	13.3
189.12738	3.2
189.16420	2.0
191.08607	0.9
191.14322	10.7
192.09343	2.0
192.15157	4.3
193.10130	8.0
193.15912	1.4
194.10962	7.6
195.11690	18.6
196.12468	9.8
197.13263	28.5
197.15021	1.6
198.14027	6.0
199.11263	1.6
199.14824	10.4
200.15526	1.2
201.06660	0.9
201.12788	3.7
201.16388	6.9
203.14365	2.9
204.15007	1.2
205.10159	2.4
205.15843	1.9
206.10933	3.4
206.16666	0.8
207.11711	10.4
208.12534	4.3
209.13266	25.7
210.14069	2.7
211.14821	17.9
211.16698	1.2
212.15501	1.8
213.12859	1.1
213.16400	5.1
215.14351	1.5
216.15216	0.9
217.10158	1.0
217.15918	4.3
218.10933	0.9
218.16692	1.0
219.11728	2.7
219.17477	4.4
220.12509	3.0
221.13239	9.6
222.14058	3.6
223.14819	13.0
224.15663	4.5
225.16368	8.3
226.17174	2.6
227.14372	1.6
227.17903	2.0
230.16739	1.6
231.11731	2.2
231.17476	2.5
233.13275	3.7
234.13983	1.4
235.14809	7.9
236.15620	1.7
237.16382	7.6
238.17278	1.2
239.14178	1.0
239.17934	5.9
241.15884	1.1
241.19595	3.0
243.17473	2.0
244.12663	1.0
245.13264	2.3
245.19177	1.3
246.14009	1.4
247.14873	3.5
248.61403	0.9
249.16472	5.8
250.17062	1.4
251.18010	3.6
253.19525	1.8
255.17529	1.7
257.19064	1.6
258.19711	1.1
259.14825	1.1
259.20624	2.6
261.16458	2.6
262.17172	0.9
263.17993	4.1
265.19543	5.6
267.17551	1.1
270.19910	1.0
271.20419	1.3
272.21484	2.0
273.16138	1.3
275.17969	3.4
276.18729	1.3
277.19565	2.9
279.21045	1.8
281.19067	2.4
283.20609	3.5
284.29572	1.7
285.22165	2.5
287.18051	1.1
289.19400	1.6
291.20966	1.2
295.20786	1.2
296.21463	1.3
297.22107	4.7
299.18103	1.0
301.19748	1.1
303.21213	1.6
305.22736	2.7
309.22205	1.4
311.29401	1.7
312.32446	1.1
319.24295	1.0
320.24963	1.9
323.23660	7.1
324.24612	1.8
329.22525	1.1
333.25848	1.0
335.23773	1.4
336.24561	1.8
337.25308	3.7
338.26031	55.0
349.25253	2.0
350.25977	1.7
351.26807	2.3
362.26041	2.2
420.30304	2.8
429.31665	1.5
430.32321	19.3
458.35162	1.3
476.36545	26.2
568.42767	45.0
568.55939	7.0
586.47772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
63.37160	0.4
67.05491	1.7
67.05839	0.4
69.03450	0.5
69.50649	1.0
69.51055	2.5
79.05473	1.1
79.92151	0.4
81.03425	0.7
81.07059	3.3
83.05000	1.3
83.08606	0.5
87.60583	0.6
91.05492	1.2
93.07048	1.6
95.08611	1.5
97.06575	0.6
105.07059	1.3
106.06429	0.5
107.08592	1.5
109.06545	1.1
109.10162	0.8
117.07028	0.5
119.08583	2.4
121.10181	1.1
123.08046	0.5
131.08583	1.3
133.10162	1.7
135.08040	0.5
143.08661	0.5
145.10112	0.7
147.11720	0.7
149.09631	0.8
157.10162	1.4
159.11725	1.5
171.11720	0.9
173.13266	0.9
175.11250	0.5
178.88103	0.5
183.11754	0.8
185.13318	1.1
193.69739	0.4
197.13237	0.8
203.14282	0.6
213.12746	0.6
215.14409	0.7
227.18001	1.5
241.06186	0.5
245.19032	0.9
269.19220	0.6
287.20169	1.2
377.25000	0.7
395.25800	1.4
495.31042	4.6
567.30884	100.0
568.31439	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67062	0.5
53.03945	2.4
55.05517	20.6
56.84434	0.5
57.07073	1.6
59.04999	0.7
65.03946	1.3
67.05507	9.4
69.03426	1.5
69.07082	3.4
69.84852	2.6
71.04987	2.1
79.05500	18.2
81.03404	1.2
81.07064	53.3
83.04991	31.3
83.08623	2.8
85.06550	4.0
91.05485	11.9
93.03401	0.5
93.07053	17.2
95.04983	2.2
95.08612	9.4
97.06512	3.2
98.20797	0.5
99.08102	4.0
100.16850	0.5
101.06041	0.6
103.05471	2.2
105.07040	16.2
107.04971	1.4
107.08602	19.5
109.06529	27.0
109.10158	8.2
111.08104	1.8
115.05468	1.5
116.06270	0.6
117.07027	5.7
119.08593	25.6
121.06479	2.5
121.10150	8.3
123.08088	9.6
123.11738	3.9
125.05974	0.9
125.09618	2.5
128.06264	1.9
129.07007	5.9
130.07799	1.3
131.08578	12.4
131.09525	0.9
133.06511	1.5
133.10143	14.2
134.40372	0.5
135.04440	1.0
135.08047	8.5
135.11711	5.3
137.06018	0.9
137.09615	5.6
137.13362	0.7
139.11183	0.9
141.07022	2.4
142.07770	4.5
143.08574	10.8
144.09358	1.2
145.06508	0.8
145.10143	13.9
147.08069	3.5
147.11708	8.2
148.46417	0.6
149.09637	15.9
149.13329	1.5
151.07590	1.1
151.11177	3.2
153.07042	0.9
153.09100	0.6
155.08565	5.8
156.09331	3.5
157.10136	24.0
158.10983	1.0
159.08051	1.2
159.11702	17.5
161.09637	4.1
161.13264	6.0
163.11209	6.2
163.30951	0.5
165.07063	0.7
165.12782	2.2
167.08545	1.2
168.09378	1.5
169.10170	7.6
170.10927	3.4
171.08005	0.8
171.11703	13.4
172.12282	0.5
173.09695	3.5
173.13281	7.8
175.11174	4.7
175.14807	1.4
177.12764	2.7
179.08562	1.8
179.10725	1.5
179.14297	1.2
180.09375	1.0
181.10143	4.0
181.12207	1.5
182.10924	1.4
183.11714	11.8
184.12485	2.0
185.09669	1.3
185.13283	15.1
185.14867	1.0
186.14018	0.8
187.11247	3.0
187.14854	6.3
189.12782	4.5
189.16301	0.7
191.10799	0.6
191.14334	2.8
192.09384	1.3
193.10226	2.2
193.12274	5.2
194.10771	1.2
195.11742	3.7
195.13318	0.7
196.12460	1.5
197.09621	0.6
197.13277	7.6
198.14032	0.8
199.11212	3.2
199.14822	4.6
200.11880	0.7
201.12755	12.1
201.16438	3.4
203.14348	9.4
203.17917	0.6
205.12262	1.1
205.15999	1.3
206.10927	0.9
207.11703	3.8
207.13533	0.6
208.12512	1.5
209.13286	4.4
210.14000	0.9
211.11188	1.1
211.14816	7.9
211.31619	0.5
212.15642	1.0
213.12756	2.9
213.16446	1.7
214.13466	0.9
215.14349	4.2
217.15938	1.6
217.19469	0.6
219.11852	0.7
219.13808	1.3
220.12494	0.6
221.13333	3.3
222.14052	0.9
223.14825	4.2
225.12831	3.0
225.16341	6.5
226.17183	2.6
227.14708	3.1
227.17955	51.3
228.15092	0.8
229.15909	3.5
231.11578	0.6
233.13275	1.4
234.14177	0.7
235.14819	2.6
236.15665	1.0
237.16386	1.8
239.14378	2.1
241.15956	3.0
241.19472	0.8
243.13818	1.3
243.17480	6.5
244.18178	2.4
245.15334	1.7
245.19020	16.5
247.14917	1.6
249.12805	0.7
249.16452	1.9
251.14375	0.8
251.17923	3.0
253.16034	1.5
255.17558	1.2
259.14661	0.7
259.17065	1.7
261.16385	0.7
263.17947	1.4
265.15964	1.6
265.19501	0.9
267.17535	2.4
269.19049	12.5
271.17224	0.9
271.20602	1.8
273.18839	0.7
275.18024	1.0
277.16257	0.6
279.17499	0.9
281.18942	1.1
283.20590	0.6
285.18530	2.9
287.20096	37.8
291.17505	1.5
291.20795	0.7
293.19144	1.6
295.17422	0.6
295.20688	1.2
297.18561	0.9
303.17572	0.6
307.20651	2.7
309.18658	1.0
309.22079	6.3
311.20148	0.9
311.23676	0.7
319.20651	0.6
323.23520	0.9
325.21582	0.8
327.23209	1.9
333.22223	2.4
335.19830	0.9
335.23730	10.5
338.22610	0.7
347.23666	0.9
349.21585	1.0
349.25372	6.2
351.23193	11.8
351.27133	1.0
353.24734	6.5
359.23618	2.7
361.25436	0.9
365.24863	1.0
367.26480	1.6
377.24786	15.6
379.26224	0.6
387.25272	0.6
395.25833	30.2
421.31183	0.7
423.28577	1.3
431.29709	2.1
449.30579	5.7
467.31400	2.9
477.30035	8.4
495.31091	100.0
496.31479	1.0
549.35895	2.2
567.36737	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93433	3.8
53.71056	3.9
55.01875	23.5
55.05511	48.2
55.61970	3.0
67.05499	8.2
69.02860	2.8
69.03410	6.5
69.07060	12.8
71.58949	3.1
79.05487	9.2
81.03416	16.1
81.07041	9.9
83.04980	59.7
91.05478	31.2
93.07070	17.0
95.04946	13.9
95.08596	9.6
96.29565	3.3
105.07021	28.7
107.04928	6.9
107.08573	12.9
109.06544	7.1
115.05443	9.3
116.06197	3.6
117.07013	18.7
119.04964	3.2
119.08588	29.6
121.06494	11.3
121.10141	9.8
128.06224	16.2
129.06998	20.1
130.07771	5.1
131.04950	6.4
131.08554	24.7
133.06509	10.0
133.10123	30.3
135.08076	8.0
137.09744	3.4
141.06967	11.0
142.07797	17.3
143.08583	34.8
144.05701	4.2
145.06493	20.7
145.10136	21.0
147.08057	37.1
147.11691	3.8
149.09607	9.4
152.06219	3.4
153.07010	5.7
154.07762	4.5
155.08560	17.2
156.09329	14.2
157.06433	6.8
157.10139	30.1
158.07281	6.9
159.08078	38.6
159.11699	16.4
161.06023	5.5
161.09613	95.4
163.07578	7.6
165.07068	9.3
166.07805	8.7
167.08549	8.6
168.09326	9.6
169.06479	10.4
169.10115	14.5
170.10919	9.6
171.08012	16.7
171.11696	22.5
173.05986	13.5
173.09637	21.2
173.13263	10.8
175.07523	6.9
178.07697	3.7
179.08522	8.0
180.09407	5.7
181.06554	3.6
181.10110	13.2
182.07253	5.3
183.08032	9.3
183.11693	35.7
184.08827	3.5
185.09688	20.7
185.13292	19.8
186.10341	5.1
187.07570	26.5
187.11197	7.5
187.14812	5.3
189.09091	6.3
193.10106	12.4
195.11618	9.0
196.08783	12.8
197.09631	12.2
197.13275	15.1
199.11220	30.1
201.12711	14.2
205.10114	5.2
206.10818	3.9
207.11659	9.6
209.09645	6.8
209.13252	7.3
211.11205	50.1
213.12793	8.2
215.14351	12.2
217.10085	5.7
219.11670	4.6
221.09634	5.9
221.13248	6.2
223.11218	11.9
225.09166	5.0
225.12704	7.4
227.10777	4.9
229.10132	7.7
229.12221	72.1
230.10895	6.4
231.11804	5.2
233.09538	5.4
233.13298	4.1
235.11192	6.0
235.14822	4.5
237.09131	5.8
237.12770	7.3
241.12260	4.8
242.10710	4.0
243.11717	4.5
244.12463	3.3
245.09709	4.7
245.13271	7.6
249.12779	9.2
251.14357	7.9
257.13220	6.0
258.10529	5.0
259.11093	7.0
261.12711	4.4
263.14191	3.9
269.13123	4.9
270.14056	5.0
271.11008	6.2
272.12021	5.9
272.15381	3.5
273.12775	10.0
273.16321	4.7
281.13095	6.7
283.11307	6.5
283.14612	6.6
284.12106	4.4
285.12668	5.6
285.16162	5.1
287.14423	5.1
295.14514	6.0
296.11673	3.7
297.12836	6.3
298.13599	7.2
299.14148	9.2
301.15848	4.9
303.17526	5.0
309.12747	9.7
311.14334	12.6
312.15176	5.0
313.15915	16.0
315.13568	4.0
315.17261	6.9
323.14319	11.1
324.15048	6.7
326.16571	4.3
327.13583	4.7
327.17413	9.3
328.18082	5.7
329.15396	6.1
329.19067	3.9
331.16849	13.6
338.16397	7.0
341.15344	5.1
341.18948	22.8
343.20566	15.0
345.18381	12.5
347.19904	9.2
353.19089	27.9
356.17566	6.4
359.20212	15.7
361.21582	12.5
371.20032	100.0
389.21115	65.1
407.22122	10.7
431.22272	28.9
449.23520	16.0
467.24265	10.9
496.91705	3.6
531.27814	6.0
549.28821	17.8
567.29657	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.7
55.01861	8.7
55.05510	30.2
64.52120	2.8
65.03942	3.9
67.05513	34.7
69.03421	13.9
69.07055	7.8
74.08801	3.4
79.05496	26.3
81.03426	24.9
81.07050	21.8
83.04985	45.1
85.02912	24.4
85.24246	3.3
91.05495	18.9
93.07058	21.4
95.04977	54.2
95.08595	14.0
98.20760	10.5
105.07043	27.7
107.04957	8.5
107.08600	15.2
109.06518	11.6
109.10147	13.9
115.05426	5.7
117.07047	17.7
119.08585	26.9
121.06554	15.5
121.10172	5.2
123.11714	3.7
128.06230	7.9
129.06996	14.6
131.04932	4.8
131.08588	17.0
133.06467	9.2
133.10130	19.5
135.08049	7.9
141.07030	6.4
142.07779	10.0
143.07510	3.1
143.08543	18.6
145.06528	23.5
145.10143	17.9
147.08070	31.0
147.11678	6.3
155.08545	6.8
156.09338	8.9
157.10139	23.7
157.82709	3.2
159.08044	12.9
159.11716	11.4
161.08484	3.2
161.09641	22.3
163.07562	17.5
165.07089	4.3
165.58510	3.5
167.08525	9.1
168.09264	3.2
169.10132	22.2
170.07254	6.3
170.10887	5.9
171.07999	6.7
171.11702	18.6
173.09619	9.2
173.13272	5.4
175.07697	3.6
177.09082	4.0
179.08501	7.7
180.09149	4.7
181.10136	7.4
182.10945	5.0
183.11708	17.6
185.09618	25.3
185.13258	11.3
187.11186	12.9
187.14781	5.4
192.09462	3.8
193.10114	13.9
194.10878	8.0
195.11627	14.1
197.09596	5.5
197.13263	11.0
199.11327	8.6
201.12712	4.8
204.09116	3.4
205.10150	6.6
206.10896	8.0
207.11673	15.2
208.08890	3.7
209.09613	4.4
209.13266	10.3
210.10315	4.6
211.11160	10.0
211.14801	13.2
213.12762	12.0
215.10564	4.4
215.14288	5.0
217.10109	6.6
219.11661	9.9
220.12466	8.3
221.13289	18.1
223.11124	9.1
223.14796	13.8
225.12744	7.9
227.14316	5.9
229.10237	6.0
231.11646	11.5
232.12604	5.4
233.13239	15.1
235.11151	5.7
235.14839	9.0
237.12843	10.9
237.16251	3.7
239.10754	3.6
239.14294	5.4
243.11734	7.5
244.12389	4.4
245.13312	6.1
247.14810	14.0
249.12579	5.4
249.16379	14.5
251.14276	7.4
257.13290	6.1
258.14038	5.7
259.11063	6.8
259.14893	3.9
260.15558	5.4
261.12585	6.0
261.16489	4.3
267.17438	4.4
271.11163	5.4
271.15085	6.4
273.12894	7.5
273.16232	4.9
275.14383	4.7
275.17828	10.1
277.15918	9.0
285.12759	8.0
285.16519	3.8
286.13345	4.5
287.14438	6.9
289.16226	7.0
298.13531	5.3
299.14307	7.5
300.15103	4.9
301.15787	4.6
303.17389	9.6
305.15286	11.0
305.18781	5.2
307.16751	4.2
313.15698	7.7
315.13904	7.2
315.17441	8.7
317.15506	3.8
317.18903	6.9
327.17435	10.5
328.18188	7.5
329.15228	5.1
329.19022	4.4
330.16016	9.1
331.16870	6.0
333.22177	6.5
335.16394	4.0
335.19919	17.2
341.18939	7.1
343.20511	62.5
345.18488	100.0
347.19745	4.2
353.18903	8.2
359.20035	7.4
361.17529	4.9
361.21616	43.8
363.19577	4.4
371.20090	33.3
379.22336	7.0
389.21103	50.0
407.22064	49.1
417.92371	3.7
467.23734	7.5
507.30899	6.5
567.18579	10.2
567.33344	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.01875	15.5
55.05512	45.5
57.03413	3.9
59.21555	3.0
65.03953	3.9
67.05510	20.2
69.03429	15.2
69.07059	16.1
71.55083	5.0
79.05484	13.9
81.03432	18.3
81.07047	9.4
83.04986	65.8
84.05350	3.0
91.05486	37.9
93.07038	19.4
95.04982	25.6
95.08595	9.3
96.74274	3.2
97.06516	5.0
103.05498	6.0
105.03372	4.3
105.07036	28.5
107.04984	7.1
107.05724	2.8
107.08628	14.5
109.06509	6.0
109.10156	6.1
115.05452	8.7
116.06224	3.2
116.23774	2.7
117.07014	8.5
119.04969	3.6
119.08575	25.6
121.06490	10.8
121.10197	5.9
123.08064	3.4
128.06226	10.8
129.07014	15.3
131.04933	9.8
131.08574	28.3
133.06493	11.1
133.10149	21.7
135.08080	12.2
137.09599	3.7
141.06993	11.1
142.07755	10.9
143.08578	28.1
145.06445	16.7
145.10152	16.7
146.07208	4.0
147.08054	27.2
147.11765	3.5
149.09607	5.9
152.06212	3.4
153.06950	8.3
154.07770	5.2
155.08560	18.1
156.09294	7.9
157.06529	5.5
157.10123	21.7
158.07262	3.5
159.08069	38.3
159.11682	9.8
161.09633	71.6
163.11215	3.5
165.06985	9.0
165.09111	7.5
166.07719	3.9
166.88651	2.9
167.08545	7.3
168.09323	10.5
169.06468	8.4
169.10133	11.4
171.08037	17.3
171.11746	21.6
172.08769	3.8
173.09631	22.5
173.13158	7.5
175.07455	4.4
175.11249	5.8
178.07773	5.7
179.08417	6.5
179.10751	3.6
180.09329	5.3
181.06587	5.0
181.10127	12.9
182.10797	4.6
183.08054	7.5
183.11678	21.9
185.09616	32.3
185.13263	5.1
186.10362	7.9
187.07585	20.5
187.11105	8.1
189.09108	13.2
193.10136	7.6
195.08066	3.3
195.11694	9.1
196.08867	16.4
197.09674	19.4
197.13298	9.4
199.11151	21.2
201.12790	14.2
203.10611	6.3
206.10843	5.3
207.08086	4.3
207.11682	10.8
208.08829	3.7
209.09627	11.5
209.13254	4.1
211.11194	55.1
213.09093	4.6
213.12823	10.0
215.08685	4.3
215.10744	7.6
215.14348	4.1
216.09338	5.9
217.10207	6.7
217.12128	5.0
218.10896	3.7
220.08838	3.8
221.13342	4.3
223.11162	26.3
224.11916	4.1
225.12756	8.2
227.10609	4.5
229.10225	4.4
229.12241	66.9
231.11723	6.6
231.13852	4.2
232.12314	4.8
233.09608	3.7
233.13312	5.0
235.11166	10.8
235.14793	3.6
237.09146	3.8
237.12787	4.7
241.12236	3.2
243.11696	6.9
244.12357	6.0
245.09613	3.9
245.13370	7.3
247.11125	6.1
247.13261	3.7
249.12721	10.1
251.14465	4.0
258.10324	4.8
258.14035	4.6
259.11142	3.7
259.15039	4.6
261.12698	8.3
263.14316	11.2
269.13275	6.0
270.14044	4.2
271.11160	6.7
272.11734	4.7
273.12634	8.1
273.16721	3.8
275.14243	8.7
277.15836	5.3
280.12616	3.7
283.11218	6.5
283.14694	6.9
284.11893	3.9
285.12723	5.5
285.16156	3.3
287.14249	10.4
289.14383	9.7
291.13928	3.4
291.17392	3.3
295.14600	4.7
297.12476	8.5
298.13388	9.0
299.14185	8.7
299.17612	3.6
301.15817	8.7
303.13922	3.4
303.17480	4.6
309.12436	3.7
310.13544	4.7
311.14148	6.6
312.14938	4.6
313.15738	25.4
314.16833	4.2
315.13654	4.2
315.17310	8.2
323.14172	5.9
324.15015	6.8
325.15433	3.7
326.16373	3.9
327.17349	9.1
328.14474	3.9
329.15268	6.4
331.16800	7.4
338.16757	5.3
338.46637	3.3
341.18967	9.6
342.19348	4.8
343.20334	10.1
345.18582	22.9
347.20145	15.1
353.19357	17.9
359.20282	5.9
361.21564	7.1
363.19330	4.4
371.20056	51.3
389.21100	74.2
407.22302	27.6
431.22153	12.8
433.15765	3.5
449.23309	31.7
467.24008	7.6
469.20059	4.7
474.37756	3.6
549.28326	77.6
567.27783	100.0
568.29150	3.3
588.73785	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	567.241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	1.1
60.05640	1.6
71.42597	1.7
74.81051	0.9
77.03957	0.9
81.03374	1.5
85.02927	1.3
98.36514	0.9
102.16060	0.9
105.03405	1.4
106.85284	0.8
111.05564	6.9
113.07113	2.1
120.04487	6.5
123.05525	1.2
126.06622	7.9
132.04456	19.7
134.06021	7.8
137.04652	1.3
140.08200	1.2
146.02414	1.1
150.05540	1.3
151.06171	6.7
168.08791	1.9
202.09750	13.8
216.11336	3.2
217.02130	0.9
230.09259	9.9
231.07697	3.1
231.12459	1.7
232.10823	5.6
242.09270	5.4
255.08781	1.1
257.10284	5.2
259.11908	90.8
277.12933	13.5
284.11505	9.8
301.14069	4.9
302.12469	44.4
319.14038	9.0
379.16196	7.6
403.16052	1.2
419.94025	1.1
421.17526	12.4
428.15726	1.7
439.18237	32.7
445.18060	1.2
446.16608	2.1
463.19382	10.8
481.13248	2.0
481.20444	94.8
567.24109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.4
53.03941	2.8
55.01878	3.3
55.05513	3.5
57.03424	2.3
57.07058	1.3
67.05494	4.7
69.03417	3.2
69.07061	4.1
69.21804	12.0
71.98168	1.4
79.05499	8.9
80.77943	1.3
81.03403	6.5
81.07044	6.7
83.04974	6.2
85.02908	1.9
91.05492	11.7
93.07044	10.5
95.04974	10.9
95.08596	9.9
97.06511	2.0
98.20781	3.1
103.05415	2.2
105.03408	23.4
105.04511	2.1
105.07035	17.9
107.04941	4.3
107.08586	5.9
109.06506	6.6
115.05431	4.5
117.06982	4.9
119.08590	12.6
121.06509	5.1
121.10143	3.4
123.04404	2.6
123.08066	7.0
125.05918	2.0
128.06233	1.7
129.06996	5.2
131.08575	32.7
133.06526	10.0
133.10139	10.7
135.08075	7.2
135.11720	2.2
141.06989	2.3
142.07767	5.8
143.08563	12.7
144.09334	2.3
145.06512	16.5
145.10149	14.4
146.07269	2.0
147.04468	1.5
147.08047	9.8
147.11691	3.2
149.05984	3.0
151.07549	7.4
153.06975	2.0
155.08560	4.7
156.09344	11.5
157.06480	1.5
157.10127	15.0
158.10892	3.7
159.08067	59.0
159.09407	2.9
159.11687	6.0
160.08879	1.6
161.05994	17.1
161.09621	13.1
161.13274	2.1
163.07564	4.6
163.11186	1.6
164.10239	1.5
165.05391	1.4
165.09087	2.1
169.06393	1.6
169.10144	4.5
170.10898	7.1
171.08058	6.3
171.11707	24.8
172.08855	7.2
173.09633	22.8
173.13292	20.7
174.10416	3.0
175.00980	1.5
175.07570	1.7
175.11148	7.1
177.09122	3.2
179.07147	2.8
179.08481	2.2
181.10097	2.3
183.08018	4.0
183.11661	8.7
184.08765	2.5
185.09625	6.5
185.13280	10.3
186.10471	6.7
187.07494	2.9
187.11189	22.5
187.14851	1.7
189.09100	5.2
189.12714	12.9
191.10641	5.9
193.10132	3.6
193.12206	1.5
195.11707	5.3
197.09650	3.5
197.13152	2.1
198.10443	6.9
199.07637	2.6
199.11209	7.9
200.11958	2.1
201.12758	74.3
203.10648	3.4
203.14270	3.0
206.10774	1.5
208.12360	2.0
211.11243	3.4
211.14810	1.5
213.12770	19.4
215.10597	2.3
217.08556	1.7
217.12170	7.2
219.11778	2.9
219.13821	36.7
221.13416	1.9
223.11157	2.2
223.14822	2.4
225.12709	1.7
227.10660	2.6
229.12212	7.2
231.13812	100.0
235.11060	2.1
241.12048	2.7
245.07970	3.2
247.13338	10.1
248.14026	3.3
249.12514	2.5
249.14857	23.1
251.14255	2.5
251.53391	1.5
255.14030	1.6
259.13290	2.5
263.14569	1.4
271.14764	1.6
279.13995	3.2
280.14502	3.8
289.15845	1.8
333.18271	1.8
347.16354	2.0
349.17746	1.7
351.15906	3.9
352.16592	3.2
353.17459	5.5
369.16956	9.3
370.17688	4.3
371.18588	12.4
373.17902	2.2
383.18399	1.9
389.16559	1.7
389.21143	6.5
391.19064	4.3
403.19315	2.4
409.20074	10.2
421.20139	1.9
427.21149	27.1
449.23135	2.0
466.23474	1.7
525.13708	1.6
531.23553	2.5
549.24561	5.0
567.28613	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	565.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.0
55.01873	7.0
55.05517	20.9
57.03424	10.2
57.07079	37.5
67.05182	5.8
67.05508	53.6
69.03436	3.9
69.07065	22.4
71.01347	6.9
71.04996	5.8
71.08633	24.7
77.03896	3.3
79.05503	32.2
81.03424	27.8
81.07058	50.4
83.04956	11.9
83.08624	16.3
85.10173	10.5
88.67472	3.5
91.05482	33.3
93.06548	4.2
93.07050	44.2
95.04974	53.9
95.08045	4.4
95.08606	43.0
97.06507	5.6
97.10141	11.7
105.07035	53.2
107.04941	13.0
107.08594	39.6
108.41671	3.4
109.02872	12.9
109.06502	9.3
109.10151	28.4
111.04504	3.6
117.07036	17.8
119.08582	50.4
121.06492	6.8
121.10149	38.7
123.04428	64.3
123.08043	6.1
123.11679	9.7
125.09607	6.8
128.06168	6.7
129.06993	16.2
130.07793	4.8
131.08585	25.1
133.06444	3.6
133.10126	34.7
135.08075	7.5
135.11678	22.3
137.09613	5.1
137.13174	4.0
142.07758	14.7
143.08595	19.1
144.09235	4.1
145.10115	28.8
147.08029	8.9
147.11716	15.5
149.09605	6.9
153.09117	6.9
155.08542	11.6
156.09341	10.8
157.10129	23.2
159.11684	14.7
161.09470	3.4
161.13263	7.7
163.11177	22.4
165.06996	4.5
165.09061	4.0
167.08543	4.3
167.10683	15.0
169.10117	13.8
171.11691	25.8
173.09621	12.9
173.13258	11.6
179.08565	7.6
181.10101	9.9
182.10960	5.0
183.11682	14.9
185.13266	13.6
187.14912	4.3
189.11101	4.1
189.12762	13.2
191.10631	6.1
193.10104	10.3
195.11688	9.0
197.13269	12.2
199.14827	8.5
206.11003	4.4
207.11694	8.7
207.13766	14.1
208.12491	3.7
209.13289	10.7
210.14015	5.4
211.14711	4.5
215.14392	4.3
217.12210	7.9
219.11711	5.6
221.13158	9.4
221.15291	6.8
223.14879	4.3
229.16032	3.4
231.11656	3.5
233.13245	6.4
233.15451	4.5
235.13268	92.6
235.15564	5.1
237.16365	4.6
239.23698	4.8
245.13144	6.8
257.24811	3.3
258.14096	3.7
259.14890	4.1
261.16422	4.8
263.18094	3.7
265.19302	3.8
275.17773	4.5
277.19690	4.8
308.31595	3.4
309.16953	62.7
313.27365	100.0
315.21072	3.2
331.24118	4.0
473.34000	5.7
543.45111	4.0
547.39893	74.8
565.40491	94.6
569.51752	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	565.4044
Annotation	28380-31-6
Peak:m/z	Relative Intensity
51.02390	0.8
51.17846	0.9
53.03942	2.3
53.04682	0.8
53.07243	0.9
55.05512	7.6
57.03440	1.0
57.07079	6.5
58.78318	0.8
59.05008	1.9
67.05509	16.0
68.05837	1.0
69.03436	4.4
69.07069	7.9
69.82600	0.9
71.05020	1.4
77.03947	1.1
78.63271	0.9
79.05495	11.5
81.03410	2.1
81.07059	18.5
83.04985	3.1
83.08620	4.6
85.06559	1.6
91.04974	0.5
91.05486	21.2
93.07047	22.7
94.20046	0.8
95.04974	6.3
95.08617	21.3
95.09227	1.0
97.06544	2.2
97.10181	1.3
98.20737	2.2
100.89307	0.8
103.05493	2.2
105.04583	1.0
105.07040	36.9
107.04970	1.7
107.08601	19.3
109.06523	3.3
109.10165	12.6
111.08090	1.3
115.05491	2.3
117.07017	7.6
119.08584	39.1
121.06572	2.1
121.10159	27.0
123.04400	1.6
123.08107	6.6
123.11713	4.3
125.06005	1.6
125.09640	1.0
128.06235	5.7
129.07013	8.8
130.07785	2.5
131.08583	14.6
133.10129	22.6
135.08089	3.9
135.11728	7.4
137.09621	4.5
139.11086	1.0
141.07036	3.8
142.07780	10.4
143.08566	18.4
144.09372	2.4
144.32271	1.0
145.06538	1.3
145.10124	22.6
147.08060	8.5
147.11705	7.9
149.09576	4.6
149.13234	1.0
151.07533	4.7
153.07024	1.9
154.07811	1.9
155.08562	6.0
156.09372	9.0
157.10149	24.9
158.10931	3.4
159.08134	1.3
159.11700	13.9
159.89290	0.9
161.09669	2.6
161.13217	5.0
163.11208	3.9
165.07030	3.7
165.09129	14.0
166.07813	1.3
167.08597	6.8
167.10744	3.7
168.09369	2.2
169.10143	12.7
170.10934	3.7
171.11697	14.2
172.12491	1.0
173.09624	2.0
173.13287	11.4
175.11142	1.4
175.14859	3.7
179.08574	6.6
180.09413	2.7
181.10156	8.5
181.12102	4.2
182.10988	4.1
183.11717	12.1
184.12428	1.6
185.13258	11.5
187.14879	2.8
189.12801	2.3
191.14412	1.7
192.09245	4.3
193.10147	8.6
194.10930	5.6
195.11725	13.2
196.12506	3.0
197.13261	12.5
199.11362	1.1
199.14841	7.0
201.16393	1.9
203.08766	1.2
203.14388	4.8
205.10153	1.6
206.10889	4.4
207.11761	10.1
207.13776	2.2
208.12576	2.6
209.13261	12.1
210.13951	1.6
211.14885	6.3
212.15657	1.1
213.12891	1.5
213.16388	4.6
215.14516	1.2
217.10207	2.4
218.10895	1.4
219.11710	4.4
220.12515	4.0
221.13306	8.1
221.15446	26.2
222.14047	1.6
223.11427	1.0
223.14804	6.0
225.12773	2.0
225.16464	1.9
229.10150	1.5
230.10970	1.3
231.11743	3.2
232.12515	2.6
233.13263	5.2
233.15291	1.6
234.14117	2.8
235.15025	5.5
237.16368	5.1
239.18010	2.9
241.15422	0.8
243.11740	1.2
244.12587	1.8
245.13322	3.6
246.14203	2.5
247.14911	3.9
247.17125	1.8
248.15591	1.2
249.16306	5.3
251.18018	3.5
253.19618	3.3
255.11674	1.0
257.13214	1.1
258.14069	1.2
259.14951	2.9
260.15701	3.0
261.16486	5.5
262.17081	1.6
263.17953	4.0
265.19556	5.2
269.19086	1.3
272.15744	1.4
273.16483	2.6
275.18060	2.5
277.19547	4.1
279.21188	2.2
281.18958	1.0
283.14960	1.1
283.20673	1.9
284.15497	1.0
285.16406	1.7
287.17804	2.2
289.19669	2.9
291.21005	2.1
295.14694	1.2
297.16357	1.3
301.19382	1.8
309.17014	2.1
313.16110	0.9
313.27603	2.2
323.18143	1.1
329.22589	1.6
331.24359	3.5
333.21893	1.0
341.22699	1.3
343.24371	1.5
347.23886	1.4
355.24374	1.4
357.25772	2.4
365.24850	2.7
385.29120	3.0
459.32178	1.0
473.34271	6.0
485.34402	1.9
509.34302	1.6
529.38171	2.2
547.39355	11.6
565.40460	100.0
566.40839	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	565.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.01863	3.5
55.05270	2.5
55.05512	40.7
57.07065	1.6
58.54806	1.5
59.04986	2.1
67.05499	20.0
69.03410	7.1
69.07072	8.4
69.53912	9.1
71.04994	2.4
79.05492	27.1
81.03416	2.7
81.07056	74.4
83.04985	57.6
83.08601	4.2
85.06520	3.9
86.71561	1.7
91.05480	31.1
93.07040	30.3
95.04953	5.5
95.08605	16.5
97.06535	5.7
98.20747	2.4
99.08078	2.0
101.06042	1.9
103.05447	2.4
105.07029	38.6
107.04937	4.4
107.08600	25.5
109.06528	34.7
109.10146	9.0
109.50282	1.6
111.08075	7.3
115.05444	4.7
117.07015	14.5
119.08594	31.3
121.06511	6.4
121.10144	18.5
123.08091	7.9
128.06207	5.9
129.07014	11.8
130.07777	3.5
131.08585	28.0
133.06503	4.1
133.10121	19.1
135.08058	60.6
135.11664	6.0
137.09615	18.4
141.06993	4.9
142.07799	8.8
143.08559	22.7
145.06419	2.6
145.10127	45.7
145.11275	2.6
146.10895	3.3
147.08017	6.7
147.11688	10.9
149.09625	53.8
153.07054	2.8
155.08588	10.1
156.09341	6.2
157.10129	29.2
158.10851	2.9
159.08084	7.9
159.11690	21.9
160.08786	2.5
161.09648	12.7
161.13258	4.2
162.44774	2.1
163.11179	13.5
165.04323	1.7
165.06970	2.5
166.07822	2.0
167.08580	5.0
168.09348	3.6
169.10132	16.6
170.10863	5.0
171.08037	2.7
171.11694	21.1
172.08864	2.1
172.12419	2.3
173.09636	16.7
173.13297	15.0
175.11211	15.0
177.09161	5.3
179.08557	3.6
180.09360	2.8
181.10127	7.8
181.12248	1.9
182.10849	5.4
183.11668	24.4
185.09584	7.1
185.13283	18.6
186.10365	6.5
187.07614	1.8
187.11191	29.8
187.14799	3.9
189.12741	7.4
191.10658	3.5
192.09409	2.4
193.10138	6.9
193.12105	2.6
194.10881	3.8
195.11703	15.5
196.12369	2.6
197.09647	3.1
197.13245	12.4
199.11211	17.0
199.14859	11.0
200.11890	2.1
201.12772	32.1
201.16556	2.4
203.14372	2.9
207.11705	5.7
208.12448	4.1
209.09633	2.1
209.13240	10.3
210.13994	3.8
211.11179	4.2
211.14813	6.9
212.11945	2.9
213.12726	15.4
213.16315	3.0
215.14330	7.6
217.12233	2.7
219.11653	2.5
220.12540	2.9
221.13266	5.5
223.11116	5.1
223.14796	8.4
224.11891	2.3
225.12828	10.7
225.16380	19.1
227.14316	10.9
229.15866	4.3
233.13248	2.6
234.14049	2.1
235.14845	3.6
237.12737	4.7
237.16357	3.8
239.14319	14.6
240.14964	1.9
241.15868	19.4
242.16583	4.2
243.13817	4.2
243.17433	53.7
247.14893	3.8
249.12654	2.0
249.16344	4.5
251.14354	3.3
253.15851	8.4
255.17407	4.4
257.15497	3.0
259.14856	2.5
261.16476	2.9
263.18085	2.5
265.15906	5.0
267.17401	9.8
269.18936	2.3
272.15692	2.3
277.15768	3.3
279.17429	3.7
281.18994	12.2
283.16910	4.4
285.18533	39.6
291.17276	2.9
293.18994	3.0
305.19012	5.8
307.20380	8.3
323.20026	2.3
325.21603	4.0
331.20621	2.8
333.22134	5.3
335.20038	2.2
347.23807	7.0
349.08398	1.7
349.21634	21.1
351.23141	21.0
357.21896	2.3
365.24728	3.6
375.23239	17.9
377.24780	2.8
385.23676	2.7
393.24255	44.0
405.82733	1.9
421.27386	77.6
429.27539	2.7
447.28757	9.8
463.28549	3.0
465.30048	41.1
475.28204	7.9
493.29501	100.0
494.29443	2.4
547.33435	2.0
565.35852	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	565.28
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07274	1.2
53.03944	3.8
53.06326	1.6
55.01877	8.8
55.05515	59.6
57.03437	2.9
61.02925	1.8
63.09123	1.3
65.03936	2.6
67.05516	10.9
69.03417	4.3
69.07076	2.3
71.04984	2.2
71.54894	2.0
77.03962	1.4
79.05507	10.6
81.03423	11.0
81.07054	8.2
83.04988	100.0
85.02907	5.6
85.06531	2.8
91.05486	25.7
93.07043	10.9
95.04979	27.9
95.08604	7.6
97.06508	2.5
103.05451	5.9
104.75914	1.5
105.03396	2.4
105.04517	2.3
105.07029	21.5
107.04945	5.2
107.08613	11.8
109.06552	7.0
109.10124	1.7
115.05459	6.9
116.06221	2.9
117.07009	14.0
119.08591	24.0
121.06504	6.0
121.10124	6.2
122.24030	1.8
123.08047	2.8
128.06252	7.9
129.07028	11.8
130.07759	3.8
131.04932	9.8
131.08578	23.0
131.91664	1.4
132.08862	1.7
133.06479	7.2
133.10120	10.7
135.08076	4.5
139.32954	1.4
141.06978	4.8
142.07816	8.2
143.08586	14.7
144.05705	2.5
145.06522	10.5
145.10135	14.2
147.08067	24.2
147.11682	2.7
149.09637	10.2
153.07028	3.3
154.07753	2.2
155.08548	6.4
156.09366	7.5
157.06561	2.6
157.10124	19.2
159.08066	42.2
159.11700	9.9
161.06024	12.4
161.09645	12.9
163.07532	3.3
163.11171	1.7
165.07013	11.1
165.09068	1.8
166.07802	4.3
167.08580	8.5
168.09393	3.4
169.06514	3.6
169.10139	9.8
170.07248	2.9
170.10892	4.8
171.08040	6.2
171.11664	13.5
173.05942	2.5
173.09692	12.9
173.13242	3.3
175.07520	5.5
175.11121	2.5
177.09088	4.2
178.07828	3.8
179.08562	7.3
180.09296	6.2
181.10143	8.2
182.07298	3.6
183.08067	4.7
183.11685	19.3
184.08842	2.4
185.09680	9.5
185.13242	6.1
187.07573	4.2
187.11165	4.6
189.09097	2.8
190.07790	2.4
191.08585	2.3
192.09286	2.8
193.10234	7.7
193.11925	1.6
194.10783	2.4
195.08040	2.9
195.10066	2.3
195.11644	11.2
196.08827	2.4
197.09679	8.6
197.13290	2.8
199.07492	3.0
199.11230	11.5
201.09064	3.0
201.12706	2.4
202.07823	2.6
203.06891	1.7
203.08540	5.8
203.10440	2.1
203.14287	3.0
204.09349	3.3
205.10158	4.9
206.10896	4.3
207.11690	8.7
208.08868	5.1
208.12469	2.9
209.09645	7.7
209.13289	4.5
210.10400	2.3
211.11263	12.4
213.09077	4.7
213.12767	8.8
215.08652	3.2
215.10571	2.6
216.09244	2.9
217.10178	6.3
218.10826	1.8
219.08191	3.0
219.11638	6.6
220.08879	1.5
220.12537	2.6
221.09665	3.2
221.13235	6.6
222.10463	2.1
223.11185	24.1
223.14685	2.8
225.09070	4.4
225.12761	2.8
227.10634	2.3
228.09325	2.5
229.10114	6.2
229.12088	2.0
230.10909	6.1
231.11632	6.6
231.13734	2.9
232.12514	4.5
233.09560	5.9
233.13229	6.6
234.10387	2.7
235.07552	3.6
235.11183	7.3
235.14827	3.5
236.11842	1.8
237.09155	2.6
237.12769	5.4
237.16367	3.2
239.08577	3.0
239.10789	2.1
240.09357	1.9
242.10963	3.6
243.11740	10.6
244.08873	1.6
244.12476	4.9
245.09755	3.1
245.13396	8.1
246.10303	3.0
247.11188	8.9
247.14825	6.7
248.12077	3.0
249.12761	6.3
249.16501	2.9
251.10776	2.6
251.14462	2.2
253.10132	3.2
254.10857	6.1
255.11737	5.2
256.12415	3.7
257.08090	3.4
257.13333	9.7
258.10693	2.0
258.14136	4.9
259.11133	5.5
259.14859	3.9
260.11942	5.0
261.12793	10.1
261.16483	2.0
262.13672	3.7
263.10651	3.5
263.14267	13.6
265.12326	2.2
265.15927	2.6
266.10855	1.7
267.11615	5.0
268.12466	5.6
269.09821	3.8
269.13327	6.9
270.14014	3.1
271.11154	5.5
271.14740	5.2
272.12000	4.5
272.15353	2.5
273.12720	5.2
273.16501	8.1
274.13516	6.3
275.10983	2.2
275.14294	9.9
276.15128	2.0
277.12384	2.2
277.15857	3.4
281.09384	2.3
281.13147	4.1
282.10364	6.2
282.13834	3.5
283.11066	6.4
283.14743	8.3
284.11868	5.9
284.15326	2.9
285.12704	7.6
285.16214	3.1
286.13565	3.9
287.14386	8.8
287.17188	1.9
289.12186	3.9
289.15872	5.5
291.13898	2.6
291.17456	4.7
295.11118	6.2
295.14554	2.4
296.11938	7.0
296.15216	2.1
297.12766	27.0
297.16003	2.9
298.13489	6.3
298.16785	3.5
299.14246	11.3
300.15054	3.7
301.12332	2.5
301.15839	13.3
303.13776	5.8
303.17291	3.0
309.12653	4.2
310.13449	4.5
311.10773	1.7
311.14386	25.9
312.15070	11.7
313.12411	3.3
313.15796	6.5
313.19305	3.0
315.14032	2.2
315.17459	14.5
317.15378	2.7
317.19003	3.1
319.16833	3.0
323.14203	2.2
323.17838	3.6
324.14972	2.6
325.15845	10.6
326.16666	17.1
327.13599	2.4
327.17267	3.7
329.15256	5.2
329.18958	3.4
331.17169	3.3
331.20572	11.8
336.15256	3.1
339.13763	3.8
339.17441	3.6
340.18265	4.7
341.19028	60.9
343.17130	8.1
343.20663	2.7
345.14737	2.5
345.18430	3.0
349.21536	3.1
351.17520	8.0
354.16125	2.5
357.18655	3.6
359.20126	30.1
361.21646	3.4
369.18494	19.8
371.20065	3.7
375.19742	2.7
377.21265	13.5
387.14880	2.1
387.19547	30.0
389.21103	5.3
403.14948	3.4
403.39255	1.7
405.15857	2.4
405.20654	18.9
415.15216	1.8
431.14844	2.7
436.27637	2.0
445.16595	3.3
447.21704	7.3
462.29279	5.1
463.17474	8.4
465.22650	14.1
505.25836	1.8
547.19257	2.4
547.26843	8.1
565.20313	20.8
565.27966	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	565.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.9
55.01857	4.5
55.05515	57.2
67.05520	5.7
69.03416	3.0
69.07057	1.9
69.47287	1.0
70.42905	3.0
70.43298	1.2
76.27957	1.0
79.05501	7.4
81.03399	5.8
81.07049	4.7
83.04982	100.0
85.02943	1.1
90.52615	1.0
91.05480	12.0
93.07055	5.2
95.04980	9.7
95.08591	2.3
97.06527	1.4
98.20879	1.2
101.80224	1.0
103.05484	10.4
105.07031	9.7
107.04942	4.1
107.08575	4.4
109.06516	3.2
109.10151	2.4
109.85464	1.0
111.04453	1.3
114.36065	1.0
115.05464	4.2
116.25800	1.1
117.06997	5.5
119.08587	15.4
121.06478	3.3
121.10134	2.9
128.06227	3.4
129.06992	5.4
131.04022	2.0
131.04933	25.8
131.08554	10.3
133.06499	6.5
133.10135	4.9
135.08044	4.0
141.06976	2.4
142.07776	5.6
143.08580	6.7
145.06493	6.8
145.10115	6.2
147.08063	21.3
149.05934	1.2
149.09625	4.2
155.08539	4.2
156.09373	6.5
157.10136	10.4
158.07286	1.5
159.08081	10.8
159.11688	15.5
161.05966	1.1
161.09668	8.4
163.07506	2.0
165.07016	1.6
167.08578	3.3
168.09326	1.8
169.10141	8.2
169.80035	1.1
170.10968	3.4
171.08051	3.5
171.11681	17.3
173.05972	4.6
173.09624	6.9
173.13200	2.7
175.07541	25.0
175.11183	1.3
179.08574	2.6
181.10062	1.5
182.10838	1.5
183.08046	2.7
183.11726	8.9
185.09653	3.1
185.13274	9.5
187.07539	3.8
187.11174	7.4
189.09087	3.3
191.10687	1.1
192.09297	1.2
193.10138	3.6
195.08031	1.1
195.11662	4.3
196.08838	1.2
197.09637	4.7
197.13272	4.0
198.10434	1.2
199.11189	7.3
200.11923	1.4
201.12689	2.3
205.10217	1.3
206.10905	2.4
207.11668	4.9
208.12437	1.5
209.09596	3.3
209.13237	3.7
211.11258	2.9
213.09038	1.7
213.12773	6.5
215.10658	1.9
217.10225	1.5
217.12076	1.8
218.11024	1.4
219.11658	2.1
220.12344	2.0
221.09599	1.5
221.13258	4.0
223.11186	3.8
223.14850	2.5
225.12645	1.6
227.10715	1.7
229.10191	1.6
229.12210	5.1
230.10844	1.8
231.11755	1.8
231.13754	8.9
232.12132	1.2
233.13255	1.5
234.14160	1.6
235.11104	2.1
237.12743	2.6
237.16440	2.8
239.10596	2.4
241.12285	2.4
245.13313	2.6
247.11163	1.6
247.14856	1.9
249.12711	1.5
251.14386	1.4
255.13931	1.9
256.81363	1.1
259.15106	1.7
260.11990	1.6
261.12823	1.3
263.14136	1.4
265.15933	2.5
271.14825	1.2
273.12613	2.4
274.13483	2.0
275.14276	2.2
277.15756	1.8
281.15540	1.2
285.12744	1.4
287.14331	2.2
289.15973	1.5
291.13742	2.6
291.17426	1.1
293.15329	2.9
297.12787	2.9
299.13910	1.5
301.16028	2.5
307.20541	1.4
311.14188	2.3
312.14917	1.5
313.15707	2.0
315.17337	3.3
317.18445	3.3
319.16846	1.5
326.16638	1.9
327.17404	3.8
329.15372	3.1
331.20538	2.6
334.36417	1.3
341.19043	4.5
343.16989	1.6
344.17883	1.3
345.18338	4.6
347.16290	1.3
349.21689	7.2
357.18387	2.6
359.20026	20.1
361.17831	1.9
369.18445	4.1
375.19412	4.7
377.21130	20.6
387.19577	17.3
401.21136	2.0
405.20648	21.9
416.28775	1.7
423.22711	1.6
447.21378	3.0
451.22479	1.3
465.22803	10.1
483.24133	2.1
505.25986	2.0
529.27301	1.7
547.26660	5.5
565.28058	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	565.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01867	1.8
55.05511	15.9
57.07058	0.5
58.72951	0.6
60.82338	0.6
64.62382	0.6
65.03934	0.7
66.07779	0.5
67.05508	3.6
67.81875	0.6
69.03432	2.0
69.07064	1.4
71.56266	1.0
79.05489	3.4
81.03410	4.3
81.07057	3.3
83.04984	20.7
83.08608	0.8
91.05489	7.2
93.07059	4.7
95.01389	0.7
95.04968	4.5
95.08620	1.6
97.06542	0.9
97.10206	0.7
103.05465	1.8
105.03394	2.2
105.07031	8.4
107.04971	1.7
107.08611	2.7
109.02869	1.1
109.06551	1.7
109.10178	2.3
115.05469	1.1
117.07031	2.8
117.07793	0.6
119.04910	1.0
119.08585	10.6
121.02882	2.0
121.06528	2.8
121.10157	1.6
123.04412	0.9
123.08064	0.6
123.21152	0.6
128.06232	1.7
129.07022	2.6
131.04919	1.8
131.08568	4.6
133.06499	4.2
133.10138	5.3
135.08112	0.9
137.09596	1.2
141.06996	2.2
142.07803	2.6
143.08545	5.5
145.06526	2.8
145.10121	1.9
146.07227	1.0
147.08037	8.1
149.09619	1.7
153.07042	1.2
154.07816	0.9
155.08563	3.2
156.09355	2.7
157.06532	1.7
157.10150	4.7
159.08069	4.0
159.11688	1.1
161.05995	4.1
161.09598	6.3
165.07045	1.7
166.07773	1.1
167.08614	2.7
169.06439	1.2
169.10130	6.3
171.08049	2.2
171.11687	4.7
173.09663	1.3
173.11859	0.7
173.13237	0.8
175.07637	1.6
177.09100	1.0
178.07808	0.9
179.08597	2.3
179.10736	1.1
180.09396	1.4
181.10165	3.7
182.07382	0.7
182.10982	1.0
183.08078	2.5
183.11777	2.8
184.08846	0.7
185.09665	2.4
185.13280	0.9
187.07640	0.9
187.11192	1.2
189.09090	1.0
191.08490	0.8
192.09352	1.3
193.10158	3.4
193.12103	0.5
194.10876	1.2
195.08112	1.2
195.11781	2.5
196.08791	1.4
197.09673	2.4
197.13287	1.8
199.11194	7.9
201.09148	0.8
203.08578	0.7
204.09451	1.0
205.10202	1.2
206.10912	1.8
207.11720	3.4
208.08754	1.0
209.09653	2.0
209.13347	1.2
211.11226	1.8
213.12811	1.2
215.08669	0.7
215.10704	1.1
217.10139	1.9
218.10956	1.5
219.11725	1.8
221.09641	1.5
221.13274	1.5
223.11223	2.5
225.09132	1.1
225.12785	2.6
227.08696	1.1
227.10641	4.9
229.10139	1.2
230.10825	0.8
231.11739	2.0
232.12468	1.1
233.09586	1.7
233.13287	2.1
235.11142	1.1
235.14856	1.5
236.11775	0.7
239.08672	0.7
239.10674	3.2
239.14290	0.9
241.12309	1.1
243.11746	1.5
244.12427	0.7
245.09608	0.8
245.13292	1.8
246.10355	0.8
247.11148	1.6
247.15088	1.4
249.12712	1.6
251.10591	1.2
255.11703	0.6
256.12582	0.9
257.13208	1.4
258.14148	1.2
259.11154	1.5
260.11948	0.7
261.12790	1.5
265.12149	0.8
268.12439	0.9
269.09421	0.7
269.13373	0.9
271.11371	1.3
271.14621	1.1
273.12686	1.1
275.14301	1.8
279.14084	0.7
281.13199	0.8
283.14798	1.5
285.12479	1.2
287.14197	0.8
291.13892	1.1
297.12674	1.7
299.14435	0.8
303.13791	1.1
309.12903	0.8
311.14349	1.4
317.15302	1.4
324.14996	0.8
326.16760	1.0
327.14011	0.9
327.17667	1.0
329.15442	0.9
336.15125	0.7
339.17471	1.3
341.18997	1.2
343.17014	1.6
345.14801	1.8
345.18591	1.8
351.17499	1.2
357.18515	7.5
359.16214	1.2
359.20273	3.2
361.17847	0.6
369.18570	9.6
387.19543	15.3
405.20621	5.8
425.19641	1.2
465.23099	4.4
475.29120	0.7
505.25818	0.9
506.69348	0.7
547.28302	1.3
565.27991	100.0
566.28613	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74637	2.1
53.03943	3.8
53.25936	1.8
55.01865	3.3
55.05515	25.2
55.07850	1.9
61.84439	2.4
67.05527	11.9
69.03429	4.7
69.07082	3.0
69.20643	21.6
70.90876	1.8
71.63155	1.8
73.49265	2.0
79.05505	9.7
81.03403	4.8
81.07079	11.7
83.04991	35.0
91.05482	20.8
92.73497	1.9
93.07045	21.1
95.04966	11.3
95.08620	11.5
97.06544	12.8
98.08144	2.3
98.21465	4.2
103.05482	53.6
105.03403	4.1
105.07043	20.2
107.04945	4.9
107.08614	14.4
109.06517	8.1
109.10157	4.7
115.05470	4.1
115.93913	2.2
117.07008	8.4
119.08604	29.0
121.06528	12.3
121.10150	6.4
123.08057	6.1
128.06218	6.5
129.07001	8.0
131.04930	100.0
131.08597	17.2
133.06444	3.5
133.10138	23.4
135.08025	5.7
137.09671	2.7
141.06989	6.7
142.07762	8.7
143.08571	15.2
145.06494	5.5
145.10136	17.8
147.08063	10.8
149.09602	7.8
151.07477	2.5
153.06992	4.7
154.07803	4.0
155.08569	10.3
156.09354	10.6
157.10135	27.5
158.10873	3.1
159.08073	13.6
159.11656	13.0
161.06010	2.7
161.09596	10.6
163.07556	3.0
165.07013	8.8
166.07835	3.7
167.07245	2.0
167.08498	10.5
168.09332	4.1
169.06554	2.7
169.10117	19.0
170.10922	8.1
171.08078	6.6
171.11720	30.5
172.08803	4.4
173.06046	3.6
173.09613	10.9
173.13280	7.7
175.11177	3.9
179.08527	6.6
180.09322	6.6
181.10088	10.4
182.07201	2.5
182.10921	11.7
183.08066	8.0
183.11694	22.3
184.08795	2.8
184.12364	2.7
185.09616	15.9
185.13264	15.5
186.10435	2.4
187.07552	4.6
187.11209	6.8
187.14827	3.7
191.08577	2.3
191.10678	2.2
192.09363	5.4
193.10172	12.3
194.10959	3.6
195.08031	3.9
195.11723	39.5
196.12404	2.8
197.09607	7.3
197.13290	29.2
198.10396	3.5
199.11195	19.8
199.14856	2.6
200.11993	5.3
201.09059	2.9
201.12741	10.9
203.08516	2.1
203.10693	4.7
205.10175	4.2
206.10913	4.3
207.11736	15.7
208.12405	3.4
209.09608	5.3
209.13309	10.4
210.10394	4.8
211.11200	12.4
211.14886	3.0
212.11882	3.2
213.09198	2.9
213.12766	26.6
215.14316	9.2
216.09464	3.0
217.10172	5.7
217.12138	2.5
218.10912	4.2
219.11705	6.5
220.12497	7.2
221.09773	2.3
221.13246	11.4
223.11110	5.3
223.14769	5.3
225.09277	3.2
225.12766	23.3
227.10643	4.5
227.14293	9.1
229.10179	3.4
229.12303	4.3
230.10921	4.7
231.11618	8.3
231.13864	6.0
232.12387	3.1
233.13264	6.7
234.14046	3.6
235.11166	3.9
235.14828	9.3
236.12091	2.6
237.12791	2.4
239.10640	3.9
239.14272	3.2
241.12238	7.5
243.11658	5.2
243.13808	20.2
245.13380	10.9
246.10391	2.5
246.14027	5.9
247.11176	2.7
247.14902	7.2
248.11891	2.2
249.12787	4.6
249.16371	6.2
250.13824	2.4
251.14278	5.5
251.17960	2.3
253.12215	2.4
258.14066	3.8
259.13181	3.0
260.15677	5.8
261.12592	3.4
261.16711	4.4
263.14246	6.2
263.17926	4.8
265.15948	2.3
265.19400	3.2
273.12766	4.5
273.16357	4.6
275.18008	13.0
277.15857	5.8
279.17352	8.3
285.12753	3.6
285.16293	3.5
291.17441	10.1
293.19031	12.7
295.16910	4.6
303.17593	11.8
309.18494	6.2
311.19998	5.5
321.18515	39.2
327.17346	3.4
329.15363	3.7
339.13467	2.3
339.19562	37.8
341.19107	3.2
345.18338	4.0
357.20407	8.3
359.20129	3.4
369.18744	4.4
381.20700	2.4
387.19632	18.5
399.21622	6.9
405.20587	12.5
417.22742	5.1
419.18256	2.3
447.21695	2.7
465.22626	10.1
483.23727	4.2
565.20441	3.4
565.28107	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	565.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01872	12.3
55.05510	57.7
57.03425	0.5
65.03916	1.9
67.05505	4.5
69.03428	3.3
69.07068	3.2
70.79477	0.3
71.04977	1.0
71.55958	0.4
77.03938	0.9
79.05490	13.6
81.02969	0.6
81.03416	7.1
81.07060	4.6
83.04980	100.0
83.08614	0.6
85.06525	0.7
88.52629	0.3
91.05479	28.2
93.03457	0.3
93.07041	9.6
95.01332	1.1
95.04967	8.8
95.08600	4.5
97.02872	0.4
97.06525	1.5
99.04443	1.3
101.06005	1.0
102.89291	0.4
103.05466	2.6
104.06256	0.5
105.04494	0.7
105.07032	17.1
107.04955	12.0
107.08589	7.5
109.06512	4.3
109.10143	1.2
111.08149	0.6
115.05450	16.1
115.06263	0.8
116.06221	3.6
117.07018	26.6
119.04976	1.8
119.08582	26.2
121.06518	4.9
121.10136	3.5
123.08061	1.5
125.09678	0.4
128.06207	9.2
129.06017	0.7
129.07001	20.6
130.07776	2.9
131.04933	2.0
131.08560	22.9
132.05730	1.4
133.06499	3.6
133.10129	17.5
135.04420	0.4
135.08040	6.3
135.11690	0.5
137.06036	0.5
137.09641	0.6
139.07494	0.5
141.06955	6.2
142.07776	10.3
143.08556	19.2
144.05702	2.6
144.09377	1.7
145.06482	28.7
145.10118	15.1
146.07298	1.7
147.08043	62.2
147.11650	2.0
149.05969	0.5
149.09625	3.2
151.07535	0.5
152.06207	0.8
153.05640	0.5
153.06915	2.4
154.07767	2.7
155.06073	1.1
155.08553	8.9
156.09351	19.6
157.06583	2.7
157.10124	31.2
158.07262	3.3
158.10904	1.6
159.08051	47.5
159.11678	8.4
160.08781	0.5
161.05988	1.5
161.09613	28.1
163.07541	7.1
163.11209	0.7
165.06985	4.6
165.09097	0.7
166.07793	2.4
167.08594	3.8
168.09367	3.0
169.06503	1.2
169.07822	0.6
169.10121	13.0
170.07268	1.0
170.10905	9.3
171.08081	8.8
171.11681	62.8
172.08873	1.0
172.12398	1.6
173.05983	12.1
173.09625	16.7
173.13254	8.2
173.14679	0.7
175.07547	7.6
175.11150	3.2
177.09113	3.3
178.07799	1.4
179.07068	0.7
179.08580	3.4
179.10661	1.4
180.09334	3.8
181.06500	1.0
181.10097	5.4
182.07227	1.3
182.10909	2.8
183.08054	4.2
183.11673	15.7
184.08813	2.7
184.12506	1.3
185.05949	0.7
185.09648	11.2
185.13245	28.8
186.10329	0.7
187.05853	0.5
187.07544	10.8
187.09232	0.7
187.09589	0.6
187.11151	6.6
187.14786	3.3
189.07266	0.5
189.09113	4.2
189.12740	2.2
191.07045	0.8
191.08647	0.9
191.10672	2.9
192.09363	2.4
193.08546	0.6
193.10143	5.6
194.10939	1.9
195.08046	2.7
195.11684	10.5
196.08832	2.2
196.12524	1.1
197.09616	8.5
197.13255	7.1
198.10387	3.2
199.07587	2.5
199.11176	20.5
200.11993	2.7
201.09103	5.3
201.12706	4.7
202.07787	0.6
203.06940	0.6
203.08597	1.3
203.10660	2.1
203.14313	0.8
204.09309	1.0
205.08479	0.5
205.10146	2.5
205.12231	1.0
206.10904	3.2
207.08142	0.6
207.09885	0.7
207.11690	6.1
208.08809	1.1
208.12491	1.4
209.09650	4.3
209.13248	3.7
210.10419	1.3
210.13959	0.5
211.07553	1.0
211.11162	5.8
211.14844	0.8
212.08298	0.5
213.09338	4.1
213.12732	21.5
215.08588	1.3
215.10669	5.8
215.14284	9.1
216.09311	1.5
217.08572	1.6
217.10181	2.3
217.12248	6.9
218.10904	2.0
219.08090	0.7
219.09923	0.6
219.10472	0.6
219.11934	2.9
219.13805	0.7
220.08829	0.5
220.12387	2.4
221.09734	2.0
221.13281	5.0
222.10382	1.2
222.13988	1.3
223.07605	0.5
223.11165	5.7
223.14673	2.1
224.08418	0.4
224.11974	1.1
225.09119	2.4
225.12708	2.9
225.16339	0.6
226.09895	0.7
226.13557	0.4
227.10657	5.4
227.14261	0.5
228.09299	0.8
229.10135	1.8
229.12215	11.2
230.10944	1.9
231.10019	1.5
231.11716	2.9
231.13765	28.1
232.08896	0.7
232.12350	2.3
233.09738	2.1
233.13354	3.4
233.23578	0.4
234.10384	1.2
234.13998	1.3
235.11154	3.4
235.14787	2.6
236.12029	1.2
237.09146	0.7
237.12790	3.4
237.16408	1.1
238.13373	0.6
239.08435	0.3
239.10652	4.3
239.14366	1.5
241.10124	0.8
241.12221	11.0
242.10820	1.2
243.11688	3.5
243.13904	2.0
244.12556	2.2
245.09526	1.2
245.11748	4.9
245.13615	1.6
246.10368	1.7
246.14098	1.4
247.11197	3.3
247.14940	3.5
248.11964	1.4
248.15529	0.6
249.09032	0.5
249.10303	0.4
249.12663	3.1
249.16400	2.2
251.10703	1.5
251.14343	2.4
252.09508	0.5
253.08525	1.0
253.12289	1.2
253.15855	1.3
254.10875	0.8
255.07848	0.5
255.11668	1.6
255.13939	0.7
256.08844	0.5
256.12488	1.8
257.09512	1.1
257.13611	2.5
258.10410	1.1
258.14087	2.7
259.11099	1.9
259.13220	23.8
260.11880	1.6
260.15576	1.0
261.08966	0.4
261.09921	0.4
261.12738	4.1
261.16275	1.2
262.13550	1.3
263.10681	1.3
263.14337	2.4
263.17960	0.8
264.11389	0.4
265.12289	2.1
265.15802	0.7
266.10815	0.6
267.11533	1.3
267.13913	1.4
268.09158	0.3
268.12524	1.1
269.09442	0.8
269.13348	2.7
269.15619	0.8
270.10410	1.2
270.14063	1.8
271.11209	2.3
271.14835	3.1
272.11981	2.0
272.15146	0.6
273.09607	0.6
273.12802	3.8
273.16083	2.8
274.13501	1.6
274.17044	0.3
275.10733	1.1
275.14288	4.1
275.17438	0.7
276.11426	0.6
276.15033	0.8
277.12164	1.6
277.16299	1.9
279.13971	2.8
281.12747	0.4
281.15671	0.5
281.18906	0.5
282.10422	1.2
282.14017	1.0
283.11319	2.0
283.14832	2.8
284.11954	1.9
284.15637	1.1
285.12665	3.3
285.16275	1.5
286.13516	3.1
286.16681	0.6
287.14285	5.1
287.17664	0.8
288.14990	1.6
289.12201	1.7
289.15823	2.8
289.19135	0.8
290.13257	0.5
291.13699	1.5
291.17206	1.2
293.15375	1.2
294.14063	0.6
295.14188	0.5
295.17111	0.6
296.11942	1.4
296.15454	0.5
297.12720	4.3
297.16016	1.2
298.13528	2.8
298.16754	0.6
299.10657	1.2
299.14285	4.1
299.17856	1.8
300.15103	2.5
301.12241	1.0
301.15823	6.3
302.13144	0.5
302.16644	1.0
303.13794	2.1
303.17447	2.3
304.14343	0.8
305.15250	1.2
305.18723	0.6
307.13425	0.6
307.16730	0.4
309.15430	0.8
310.13464	0.5
311.14203	5.0
311.17615	0.7
312.11688	0.7
312.15015	3.7
313.12201	1.6
313.15851	4.8
313.19492	1.0
314.12970	1.6
314.16605	1.2
315.13742	1.5
315.17422	5.6
316.14780	0.5
316.18295	0.9
317.11914	0.5
317.15359	1.5
317.19012	4.8
318.19794	0.6
319.16595	1.8
321.14877	1.2
323.18015	0.5
325.12177	1.0
325.15762	1.0
326.13199	0.6
326.16653	2.7
327.13699	2.1
327.17404	7.4
328.14609	0.9
328.18100	3.4
329.15308	5.1
329.19006	3.3
330.16022	0.8
331.13419	0.7
331.16815	1.1
331.20612	2.5
333.18530	0.8
336.15005	0.5
337.18219	0.9
339.13684	1.5
339.17346	0.5
340.14655	1.0
341.15411	0.7
341.19000	8.4
342.16068	1.0
343.16763	2.0
343.20554	5.4
344.17667	1.1
345.14783	1.0
345.18491	5.1
346.19318	1.1
347.16345	3.4
347.20190	0.8
349.17902	0.5
349.21552	0.6
351.17426	0.8
354.16107	1.1
357.14566	1.0
357.18500	6.8
359.20047	12.9
361.17862	1.3
361.21643	2.3
363.19543	1.3
369.18448	8.0
372.17230	1.7
375.19525	12.6
377.21115	11.3
387.19528	40.6
390.18372	0.5
397.20209	0.9
405.20596	49.1
406.20840	0.5
419.21973	1.0
423.21661	2.9
435.21884	0.7
437.22946	0.8
447.21667	6.6
451.22879	0.5
463.17050	0.4
465.22736	28.3
469.23904	0.6
483.23755	3.0
487.24490	1.3
505.25772	2.6
547.26819	3.0
565.27960	40.6
566.27881	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.01859	2.9
55.05516	60.9
58.67052	1.1
58.95877	1.1
67.05502	4.3
69.03413	3.1
74.47086	0.9
79.05492	5.1
81.03416	5.2
81.07062	3.7
83.04989	100.0
85.02884	1.6
91.05486	7.2
93.07030	4.7
95.04979	7.0
95.08602	2.9
97.06511	1.5
103.05472	10.6
105.07028	8.1
107.04962	3.7
107.08584	4.6
109.06527	3.0
109.10166	2.8
115.05457	3.7
117.07036	6.6
119.08588	10.3
121.06499	3.7
121.10126	2.1
123.08067	1.3
127.13006	1.1
128.06209	1.9
129.07030	5.8
131.04944	20.2
131.08556	6.3
133.06528	5.4
133.10139	4.7
135.08075	3.9
141.06976	1.9
142.07779	3.0
143.08571	5.9
144.09348	1.5
145.06491	4.7
145.10133	4.8
147.08061	11.7
149.05988	1.8
149.09622	2.7
155.08600	2.4
156.09335	2.1
157.10149	9.1
159.08064	6.8
159.11723	13.2
161.05899	1.9
161.09642	7.0
165.06931	1.8
166.07710	1.5
167.08594	1.9
169.10132	7.2
170.10893	1.4
171.08098	2.9
171.11688	7.3
173.06003	2.5
173.09636	3.8
173.13278	1.4
175.07570	23.1
175.11191	2.1
179.10654	1.6
181.10100	3.5
183.11708	5.4
185.09583	3.6
185.13228	4.2
187.07614	5.7
187.11211	4.8
189.09087	3.7
193.10123	3.4
195.11726	3.7
197.09634	4.1
197.13307	2.5
199.11186	7.9
201.12718	1.4
203.10562	1.1
205.10147	1.6
206.10934	2.0
207.11722	3.3
208.12424	1.9
209.09654	2.1
209.13330	1.5
211.11194	3.9
213.12769	3.4
215.10760	2.1
221.13228	3.7
222.13573	1.3
223.11168	3.2
223.14771	2.8
225.09200	1.5
225.12871	2.8
227.10709	1.7
227.14359	1.4
229.12164	2.4
231.11703	1.4
231.13895	2.9
232.12569	1.3
233.13350	1.8
235.11079	1.5
235.14896	2.2
237.12747	1.3
237.16461	1.6
239.10780	1.2
239.14284	2.2
241.12181	2.0
247.11168	2.1
247.14975	1.6
249.12785	1.6
251.14386	1.4
253.12228	1.8
254.10803	1.3
259.10956	1.7
259.14993	1.7
261.12756	1.9
263.10837	1.4
263.14203	1.7
265.16016	2.0
272.11908	1.1
273.15509	0.9
275.14301	1.6
276.11545	1.3
277.12070	1.1
277.15875	1.7
279.13745	1.2
281.15329	1.4
284.12222	1.3
287.14288	2.4
289.15811	1.1
291.13876	1.5
293.15390	3.2
297.12738	2.2
300.15002	1.6
301.15689	3.1
307.20630	1.7
311.14297	1.2
312.15054	2.2
315.17297	1.1
317.18976	0.9
319.16843	1.8
321.15140	1.2
327.16864	1.3
329.15356	2.8
331.17142	1.3
331.20645	3.5
341.18930	4.4
343.17044	1.7
345.18417	2.4
349.21597	7.7
357.18481	2.3
359.20123	19.8
361.17722	2.4
369.18387	4.0
375.19177	1.2
377.21198	16.6
387.19635	15.5
387.24420	1.9
405.20593	16.5
416.29077	1.3
423.22595	1.4
447.21469	1.4
465.22845	6.0
469.23605	1.5
483.23666	3.2
547.26801	4.8
565.28064	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03944	3.8
55.01617	0.6
55.01875	12.1
55.05511	58.1
57.03437	0.5
57.07074	0.7
59.04992	0.3
65.03940	1.6
67.05503	4.4
69.03436	3.0
69.07068	3.0
69.69757	1.1
69.70169	0.6
71.04996	0.8
77.03951	1.0
77.42296	0.3
79.05493	14.7
81.02967	0.6
81.03421	8.7
81.07063	5.1
83.04980	100.0
83.08618	0.8
85.02939	0.3
85.06530	0.6
91.05480	29.9
93.03400	0.3
93.07047	9.6
95.01338	0.8
95.04970	10.8
95.08602	4.4
97.06538	2.3
99.04472	0.9
101.06008	0.6
103.05470	3.4
104.06230	0.5
105.03402	0.3
105.04521	1.0
105.07030	19.3
107.04957	12.0
107.08591	7.8
109.06516	4.8
109.10171	1.2
111.08050	0.7
115.04792	0.3
115.05450	17.5
116.06251	3.4
117.07019	29.5
118.07322	0.3
119.04984	1.6
119.08579	30.5
121.06524	5.3
121.10148	4.2
123.08089	1.6
125.05991	0.5
127.03924	0.4
127.05425	0.4
128.05258	0.4
128.06215	8.6
129.07005	21.1
130.07796	2.9
131.04921	2.7
131.08568	24.0
132.05731	1.2
133.05565	0.5
133.06488	4.0
133.10132	17.1
135.08055	7.0
135.11725	0.4
137.05952	0.6
137.09660	0.7
139.07529	0.4
141.06982	7.8
142.06934	0.2
142.07773	12.0
143.08559	22.0
144.05704	1.9
144.09322	1.7
145.06485	29.9
145.10121	16.1
146.07292	1.7
147.08043	74.2
147.11650	2.1
149.05957	0.8
149.09615	3.8
152.06210	0.9
153.05641	0.4
153.06976	3.0
154.07784	2.1
155.06024	1.5
155.08556	10.3
156.09344	23.2
157.06531	3.2
157.08752	0.6
157.10126	31.9
158.07259	3.0
158.10910	2.2
159.08052	42.8
159.11678	9.4
160.08774	0.5
161.05963	1.1
161.09618	30.5
163.07539	8.7
163.11159	0.9
165.06990	5.3
165.09131	0.6
166.07788	2.8
167.07149	0.2
167.08549	5.9
167.10725	0.7
168.09357	2.6
169.06416	0.9
169.07777	0.6
169.10121	13.4
170.07225	1.2
170.10902	12.5
171.08086	8.2
171.11688	80.7
172.08820	1.4
172.12474	2.7
173.04854	0.3
173.05992	12.6
173.09616	17.5
173.13251	10.3
174.10431	0.4
175.07545	9.4
175.11143	3.4
175.14876	0.6
176.83896	0.3
177.09099	5.0
178.07762	1.8
179.06992	0.6
179.08507	3.8
179.10696	1.7
180.09375	3.0
181.06514	1.1
181.10124	6.9
182.07294	1.3
182.10915	3.5
183.08093	4.4
183.11682	18.1
184.08847	2.7
184.12427	1.8
185.05956	0.7
185.09657	12.6
185.13254	38.7
186.10374	0.9
186.13954	0.3
187.07550	10.2
187.11188	6.2
187.14821	4.9
189.05495	0.5
189.09113	3.6
189.12801	2.0
190.07802	0.7
191.07025	0.6
191.08575	1.3
191.10672	2.0
192.09293	1.8
193.08559	0.6
193.10133	5.4
194.10880	1.8
195.08072	2.2
195.11700	13.3
196.08829	1.9
196.12512	0.8
197.06000	0.3
197.09607	7.9
197.13261	7.8
197.15007	0.6
198.10365	3.1
199.07506	2.0
199.11183	18.8
199.14880	0.9
200.11974	2.6
201.09105	5.4
201.12746	5.7
202.07898	0.6
203.07024	0.8
203.08580	1.3
203.10695	3.0
203.12332	0.3
203.14328	0.9
204.09338	1.0
205.08504	0.5
205.10144	2.1
205.12251	1.0
206.10909	3.1
207.08220	0.7
207.10085	0.4
207.11700	6.8
208.08881	1.0
208.12418	1.5
209.09656	5.0
209.13239	3.8
210.10410	1.3
210.14043	0.3
211.07564	1.1
211.11182	6.2
211.14775	1.2
212.08331	0.4
212.11967	0.5
213.09409	4.0
213.12738	25.1
214.09857	0.5
215.08626	1.3
215.10698	6.3
215.14296	11.4
216.09366	1.2
217.08325	1.5
217.10178	2.2
217.12270	7.5
218.10886	1.6
219.08014	1.0
219.10100	0.8
219.11891	3.5
219.13751	0.5
220.08900	0.9
220.12473	2.1
221.09850	1.9
221.13263	5.1
222.10408	1.3
222.14001	1.4
223.07811	0.4
223.11198	6.8
223.14648	2.7
224.08612	0.4
224.11966	1.2
225.09125	2.1
225.12740	3.5
225.16345	0.6
226.09911	0.7
226.13550	0.4
227.08601	0.6
227.10675	4.2
227.14262	0.7
228.09369	0.6
229.10120	2.6
229.12190	13.6
230.10939	2.1
231.10010	1.1
231.11752	3.0
231.13783	38.6
232.08887	1.1
232.12431	2.4
233.09656	2.0
233.13376	3.7
233.15355	0.7
234.10394	1.2
234.14015	1.6
235.11205	2.6
235.14822	3.1
236.11893	0.7
237.09088	0.7
237.12761	5.1
237.16281	0.6
238.13589	0.6
239.08459	0.4
239.10654	4.3
239.14314	2.1
241.10135	0.7
241.12245	12.7
242.10869	1.3
242.13036	0.4
243.07997	0.5
243.11653	2.9
243.13861	2.4
244.08766	0.4
244.12564	2.6
245.09509	1.1
245.11739	4.9
245.13597	1.7
246.10323	1.6
246.14114	1.1
247.11145	3.2
247.15051	2.1
248.08284	0.4
248.11990	1.3
248.15569	0.4
249.09108	0.5
249.12723	2.5
249.16512	1.5
250.13695	0.4
251.10680	1.0
251.14374	2.4
252.11630	0.4
253.10329	0.6
253.12372	1.3
253.15834	2.2
254.10829	0.9
255.11583	1.4
255.13969	1.1
256.08817	0.4
256.12445	1.7
257.09494	0.6
257.11383	0.7
257.13245	2.4
257.15775	0.6
258.10495	0.9
258.14175	2.0
259.11136	2.1
259.13248	30.3
260.11874	1.8
260.15460	1.0
261.12683	4.7
261.16367	0.9
262.09750	0.6
262.13550	1.2
263.10590	1.2
263.14352	1.8
263.17731	0.7
265.12497	1.5
265.15805	1.4
266.10815	0.5
267.11642	0.8
267.13889	1.6
267.17557	0.4
268.12506	1.0
269.09598	0.5
269.13248	2.7
269.15558	0.7
270.10410	0.9
270.13983	1.4
271.11191	3.1
271.14819	3.3
272.11990	2.5
272.15540	1.1
273.12680	4.3
273.16562	1.9
274.13553	1.6
275.10641	1.0
275.14288	3.6
275.17896	1.0
276.11493	0.8
276.14954	0.5
277.11945	1.8
277.15778	1.6
278.13129	0.6
279.13974	2.7
279.17224	0.5
280.12164	0.4
281.12964	1.0
281.15738	0.5
281.19009	0.6
282.10312	0.8
282.13974	0.9
283.11108	1.8
283.14859	2.2
284.11942	1.8
284.15610	1.8
285.12701	3.2
285.16312	1.5
286.13571	2.9
286.16925	0.6
287.10950	0.5
287.14307	4.5
287.17960	1.4
288.11584	0.6
288.15067	1.3
288.18246	0.4
289.12238	1.6
289.15869	2.5
289.19162	0.5
290.12949	0.7
291.13708	1.5
291.16608	0.9
293.15280	1.0
295.14041	0.6
296.11978	0.8
296.15530	0.5
297.12610	4.3
297.15695	0.7
298.13550	2.1
298.17136	1.0
299.10730	0.7
299.14276	4.7
299.17917	2.0
300.11716	0.5
300.15036	1.7
300.18182	0.4
301.12195	0.7
301.15924	5.4
301.19272	0.3
302.13187	0.5
302.16602	1.0
303.13773	1.9
303.17438	1.8
304.14755	0.4
305.15302	0.9
307.13220	0.7
308.15384	0.4
309.14938	1.3
309.18503	0.6
310.13651	0.7
310.16998	0.4
311.14255	4.0
311.17700	0.7
312.15054	3.6
313.12225	1.3
313.15863	5.8
313.19495	0.9
314.12973	0.9
314.16705	1.6
315.10251	0.3
315.13791	1.5
315.17474	4.8
316.18234	0.8
317.11996	0.6
317.15350	1.8
317.19012	5.5
318.16302	0.4
318.19852	0.7
319.16614	2.3
319.20663	0.6
321.14984	1.1
323.17676	0.5
325.12076	0.7
325.15524	0.8
326.13080	0.5
326.16617	3.1
327.13715	1.8
327.17407	7.7
328.14511	1.1
328.18256	3.1
329.15292	3.9
329.19000	3.2
330.16132	0.7
331.13400	0.5
331.16846	1.3
331.20557	3.3
333.18594	0.7
333.22217	0.4
337.17853	0.9
339.13782	1.7
339.17252	0.5
340.14517	1.1
341.15479	0.7
341.19022	8.2
342.15933	0.8
342.19989	0.4
343.16867	1.8
343.20578	6.6
344.17737	1.1
345.14673	0.9
345.18430	6.0
346.19199	1.0
347.16400	2.8
347.20142	1.0
349.17920	0.4
349.21637	0.6
351.17426	1.0
354.16010	1.6
356.17831	0.4
357.14685	0.8
357.18484	5.8
359.20050	14.8
361.17725	1.4
361.21603	3.7
363.15555	0.5
363.19516	1.4
369.18500	8.7
372.17142	2.1
375.19547	11.5
377.21097	13.1
387.19534	40.6
397.20041	1.2
405.20593	53.3
419.21872	1.2
423.21695	3.4
429.20767	0.4
435.21579	0.6
437.23169	1.0
447.21582	6.9
463.17133	0.4
465.22748	28.2
469.23749	0.6
475.25073	0.4
483.23917	3.0
487.25110	1.7
505.25851	2.9
547.26959	2.5
565.27979	35.7
566.28076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
55.01866	2.1
55.05501	1.5
58.35361	1.2
59.04981	2.4
65.65321	1.1
67.05503	2.7
69.03433	16.5
69.07081	2.4
70.06567	2.1
70.07574	4.6
71.04985	1.1
79.05499	2.1
81.03399	1.4
81.07071	1.6
83.04991	8.0
83.05434	1.5
85.02908	8.3
85.06529	3.1
91.05476	14.2
93.07042	52.2
93.07632	2.5
95.04977	5.4
95.08588	3.4
97.02889	2.0
97.06511	2.3
100.07600	1.3
103.05444	3.2
105.07014	4.8
107.08601	3.3
109.06517	3.7
109.10135	2.0
111.08049	1.7
113.06006	1.1
117.07030	1.6
119.08590	2.1
121.06504	100.0
121.10120	2.9
127.03856	1.7
127.07516	7.6
131.04901	1.6
131.08578	2.3
133.10109	2.0
135.08029	3.0
135.11604	1.3
137.05983	2.2
137.09625	3.4
139.07533	4.5
144.09416	1.6
145.04962	2.5
145.10109	3.0
149.09628	6.8
153.09154	1.8
155.10660	8.8
159.11690	10.7
163.03943	1.2
163.07523	1.2
163.11168	3.1
175.11183	3.1
177.05490	2.1
177.12772	3.1
179.10733	1.9
187.11209	5.7
190.74843	1.3
193.12262	4.4
200.10028	1.1
205.12242	72.0
223.13292	45.9
241.14417	6.1
308.05255	1.2
380.96082	1.3
422.16809	2.6
565.16412	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	565.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
54.92385	3.7
55.01864	7.7
55.05503	19.4
61.75857	3.9
67.05502	31.1
69.03433	16.9
69.07072	11.3
71.04990	5.4
72.94574	4.2
79.05494	37.8
81.03429	12.5
81.07060	30.1
83.01356	9.2
83.04971	26.2
85.02924	6.5
87.00834	4.0
91.05485	27.1
93.07043	46.0
95.04979	39.4
95.08611	27.6
97.02880	9.4
97.06528	34.4
98.21454	9.9
100.07603	9.1
103.05480	12.0
105.07028	58.0
107.04939	13.5
107.08605	33.0
109.02880	7.6
109.06527	33.3
109.10172	5.6
111.04426	8.5
111.08099	6.5
115.05457	9.5
116.06235	5.2
117.07033	13.8
119.04971	7.3
119.08575	48.0
121.02874	9.5
121.06497	23.5
121.10147	13.3
123.04436	9.6
123.08076	27.9
125.06039	7.5
127.03959	7.5
128.06209	6.5
129.07021	13.6
131.04901	9.1
131.08582	30.7
133.06508	24.1
133.10124	38.7
135.08096	21.3
137.05974	10.2
141.07021	7.6
142.07770	10.4
143.08582	33.0
144.09254	4.1
145.06490	15.3
145.10121	32.0
145.11115	4.1
147.08061	17.5
147.11685	9.6
149.05981	22.7
149.09628	18.7
151.07567	17.5
154.07761	4.9
155.08571	24.2
156.09332	20.1
157.10147	57.1
158.07234	5.1
159.08084	29.5
159.11707	22.0
161.06010	10.3
161.09634	16.5
161.13318	4.4
163.07578	7.7
163.11186	5.0
165.07043	8.6
166.07858	6.5
167.07077	12.0
167.08542	13.5
168.09286	9.9
169.08734	6.8
169.10127	39.6
170.10912	20.2
171.08029	12.2
171.10292	7.6
171.11707	68.4
172.08827	10.5
173.05956	4.6
173.09593	25.7
173.13274	12.0
175.07652	7.9
175.11253	10.3
177.05501	11.4
177.09088	8.4
179.07068	24.0
179.08551	9.2
179.10585	4.8
180.09369	6.6
181.10107	17.6
182.10878	12.1
183.08185	7.0
183.11722	68.6
184.08743	5.5
185.09651	22.8
185.13246	53.4
186.10448	8.8
187.11308	20.9
187.14861	6.2
189.12775	6.1
193.10136	11.4
194.10992	4.7
195.06561	17.0
195.08125	5.6
195.11707	24.1
196.12523	6.8
197.09634	18.1
197.13277	63.1
198.10287	8.2
199.07512	4.7
199.11192	38.5
199.14871	5.5
200.11958	11.9
201.09096	4.6
201.12773	25.9
203.10675	7.2
203.14282	4.5
205.10138	5.4
206.10887	8.1
207.11726	19.7
209.09624	7.8
209.13318	11.6
211.11227	19.2
211.14867	5.6
213.12769	100.0
215.10651	9.8
215.14372	29.0
217.08536	8.1
217.12265	6.3
219.11792	7.1
220.12509	7.8
221.09807	6.0
221.13284	17.1
223.11215	12.2
223.14851	11.4
225.09091	5.9
225.12730	17.0
227.10663	11.0
227.14288	5.8
229.12288	12.1
230.10889	5.3
231.11856	8.0
231.13824	18.3
232.12450	5.0
233.09644	6.0
233.13327	9.1
234.14146	5.2
235.11288	5.5
235.14838	13.8
237.12794	15.0
239.14368	6.4
241.12256	20.0
243.11708	8.4
243.13853	13.1
245.13277	7.6
245.15511	21.2
247.11240	8.3
247.14867	9.7
249.12798	6.8
249.16405	10.8
251.14268	10.1
255.13867	13.5
257.15424	21.6
258.14130	8.0
259.13162	12.0
261.12671	8.6
263.14316	9.6
265.15909	8.4
267.17462	8.5
273.14774	51.5
275.16531	13.7
276.15143	5.4
277.15915	9.9
289.15768	4.5
291.16080	14.2
295.16959	7.0
299.13959	6.8
303.17270	5.3
307.17053	6.7
309.18515	16.1
313.15756	6.3
317.06439	5.5
319.16888	15.7
331.16953	6.1
335.16653	5.5
337.17984	13.1
345.18701	6.7
349.17508	7.3
351.19559	17.1
355.19504	6.9
357.18561	8.9
359.16254	9.0
363.19440	5.2
369.20383	16.5
373.18018	12.8
377.17517	8.8
387.19568	8.3
391.19022	16.8
405.20517	16.3
409.20251	9.7
419.18549	17.7
433.20087	12.5
437.19644	22.1
447.22589	5.0
451.21414	19.9
455.20810	10.9
469.22272	42.2
475.28287	6.7
487.23343	71.0
497.21188	5.6
529.23926	29.4
547.25323	16.1
565.27197	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	565.1188
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.02350	0.2
53.03742	0.1
53.03950	1.4
55.01876	1.2
55.05499	0.1
57.03437	0.8
58.22693	0.1
61.02927	0.7
62.36393	0.1
65.03943	0.1
68.99786	1.0
69.03431	6.0
69.55680	0.3
69.56089	1.0
71.04997	0.7
73.02924	1.1
81.03418	6.5
83.01296	0.2
85.02908	9.2
87.00833	4.2
87.04464	0.3
91.03961	0.4
91.05496	0.2
92.02607	0.7
93.03396	0.6
97.02898	3.5
97.06511	0.2
98.20795	0.3
99.04468	1.8
105.01283	0.2
105.01878	2.5
105.07027	0.3
109.02880	4.9
111.00811	0.2
117.01840	0.9
121.02864	0.6
126.03141	0.3
127.03918	7.1
129.01830	0.7
133.02834	0.2
133.10181	0.2
137.02312	0.2
137.05972	0.2
139.03871	0.4
145.04959	2.3
147.02867	0.3
151.03914	0.7
153.01833	6.1
159.02898	3.1
161.16574	0.2
165.01825	0.7
167.06964	0.2
173.06004	0.2
177.05504	0.2
201.05528	0.7
203.03326	0.3
213.03922	0.3
215.43915	0.1
217.04982	0.6
218.05737	0.6
228.04155	0.9
229.04942	2.1
231.02908	0.3
231.05017	1.1
243.06412	0.2
245.04478	1.0
246.05257	1.7
256.03604	0.2
257.04443	1.6
260.03183	0.3
261.07687	0.2
265.03967	0.2
271.06088	0.3
273.03958	1.5
274.04721	3.4
284.03204	0.4
285.03934	2.5
288.06238	0.2
301.03482	0.3
302.04211	12.2
316.21274	0.2
317.06555	100.0
318.06857	0.6
359.07779	0.4
425.08740	0.2
565.27405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01866	1.9
55.05526	2.5
57.07068	1.6
59.05021	1.6
60.44338	1.2
66.68813	1.0
67.05495	4.1
69.03431	18.0
69.07063	2.0
71.55090	1.6
81.07059	2.5
83.04992	7.0
85.02906	7.3
85.06530	2.2
91.05471	11.8
93.07049	55.1
95.04964	5.4
95.08630	3.8
97.02882	2.2
97.06556	1.3
100.07619	1.2
103.05475	1.5
105.07021	3.4
107.08593	4.6
109.06506	2.5
109.10152	4.4
111.08063	2.4
113.05988	2.5
117.02511	1.2
117.07053	1.9
117.22677	1.1
119.08579	2.5
119.99459	1.2
121.06509	100.0
121.10162	1.7
127.03893	2.2
127.07582	6.6
131.08617	1.4
132.56238	1.2
133.10147	2.1
135.08072	3.0
135.11659	1.4
137.06068	1.3
137.09579	3.0
139.07547	2.9
145.04945	1.9
145.10165	3.1
149.09633	6.2
155.10658	8.0
159.11661	8.5
163.11177	3.1
165.09213	1.8
175.11224	2.6
177.12761	4.6
179.10741	3.5
187.11198	4.4
193.12206	3.2
205.12248	67.7
223.13290	47.1
226.22722	1.2
241.14389	7.1
257.20441	1.2
288.38571	1.2
370.88574	1.2
450.43695	1.4
565.17017	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.9
55.05512	20.8
57.03436	13.9
57.07076	4.2
57.83635	2.7
60.69212	2.8
65.03922	4.9
67.05508	86.8
69.07063	29.8
71.04990	6.1
71.56155	3.1
73.49078	2.8
73.82078	2.4
79.05064	3.6
79.05495	44.8
81.06585	4.9
81.07059	99.8
82.43890	2.7
83.04972	8.1
83.08602	16.3
85.06535	3.6
86.24430	2.6
91.05475	28.4
93.07048	74.1
95.04981	5.5
95.08610	41.8
97.06514	10.6
101.92020	2.7
105.07033	21.3
107.08602	45.2
109.06499	4.6
109.10165	17.5
111.08096	7.4
117.07010	11.9
118.77373	3.3
119.08588	14.0
121.10157	31.2
123.11685	3.8
131.08583	17.8
133.10120	13.2
135.11678	17.7
145.10135	10.3
147.11693	6.6
149.13277	35.4
157.10152	3.8
159.11684	12.7
173.13205	6.2
175.11191	4.8
177.12743	25.9
195.13824	9.9
205.60916	2.9
205.65932	2.7
219.13786	11.4
243.21046	3.9
261.22076	7.1
269.17474	83.0
270.53043	3.1
317.24524	3.3
327.19482	4.2
335.25769	71.9
381.97894	2.6
501.32489	3.3
529.38916	100.0
564.26697	11.6
564.39105	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	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09132	1.7
53.03928	3.4
55.01859	6.7
55.05511	16.6
57.03444	13.8
61.02921	4.3
65.03926	1.9
67.05176	2.7
67.05509	49.1
69.03420	5.7
69.07070	19.2
69.34070	15.4
71.04987	5.3
73.02938	2.3
79.05493	31.2
81.03421	13.8
81.07062	54.2
83.04977	13.8
83.08629	12.6
85.02892	7.8
85.06540	3.6
88.03364	1.9
91.05476	23.2
93.07049	47.4
95.04952	7.9
95.08611	23.0
97.02877	4.3
97.06542	13.4
97.10149	4.1
97.11543	1.9
99.08093	4.9
103.05445	3.6
103.29002	1.7
105.03447	2.0
105.07034	20.2
107.04947	4.4
107.08597	26.8
109.02873	3.5
109.06515	5.5
109.10152	11.7
111.04447	3.0
111.08071	3.8
117.07011	13.5
119.08573	18.8
121.06467	4.3
121.10149	13.9
123.08060	3.9
123.11739	2.6
125.09621	3.7
129.06940	3.7
131.04930	9.4
131.08562	17.0
133.06520	3.0
133.10150	18.5
135.08063	5.8
135.11684	18.1
137.09636	2.3
143.08597	4.4
145.10135	12.4
147.08046	3.5
147.11707	9.1
149.09616	7.5
149.13278	17.4
151.11162	3.0
153.12807	2.3
156.09337	1.7
157.10083	4.8
158.10519	2.1
159.11697	25.5
159.77798	1.7
161.09651	2.2
161.13310	4.9
163.11192	5.8
169.10075	3.4
171.11655	4.7
173.09573	3.6
173.13264	6.2
175.11169	2.1
177.12752	24.5
179.14294	6.5
183.11705	2.8
185.13235	3.8
187.11171	3.3
193.12170	2.6
195.13705	5.4
197.13170	2.3
199.11194	2.7
201.12799	2.2
210.24220	1.7
227.12807	4.0
229.14371	2.8
231.13820	2.0
239.17934	2.8
250.33572	1.7
251.16429	5.3
253.18120	2.2
255.15953	40.7
257.18985	6.2
267.15848	3.3
269.17496	100.0
275.20093	19.3
349.23737	44.5
367.24796	20.2
413.21808	2.9
450.31061	2.1
511.28802	2.1
564.27075	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	564.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01865	2.8
55.05510	14.8
57.03427	3.5
58.87225	1.2
59.05003	2.9
67.05499	8.5
69.03418	6.2
69.07066	8.9
69.17949	13.0
71.04984	3.7
72.31991	1.2
79.05495	4.2
81.03410	10.6
81.07059	9.2
83.04991	16.4
83.08607	2.5
85.02905	4.5
85.06552	1.5
85.20645	1.2
87.04460	1.7
91.05465	5.3
93.06547	1.1
93.07038	7.2
95.04974	2.6
95.08614	25.0
97.02895	6.6
97.06548	6.7
97.10161	1.2
99.04465	7.1
99.08093	4.5
101.06016	13.8
105.07051	8.1
107.04985	1.5
107.08602	5.6
109.02883	12.0
109.06537	3.4
109.10152	3.3
111.04446	17.5
111.08088	2.5
113.06000	2.3
113.09647	15.2
116.01678	4.4
117.07023	1.6
119.08577	5.7
121.06512	2.3
121.10133	4.9
123.08069	8.8
125.06005	2.1
125.09622	4.1
127.03925	11.1
128.06284	1.4
129.05484	10.9
129.06975	1.3
131.08589	4.4
133.10129	7.3
135.08057	4.4
135.11644	2.0
137.05980	3.5
137.09616	1.7
139.07545	1.6
139.11174	1.9
141.09106	12.1
142.07761	1.7
143.08556	3.3
145.04973	1.5
145.10127	4.3
147.06512	4.6
147.08005	2.1
147.11684	2.0
149.09644	8.6
151.11200	2.6
153.12738	6.5
157.08777	2.0
157.10117	5.4
159.10353	2.2
159.11729	5.2
161.09612	14.8
161.13287	1.2
162.02293	3.0
163.11206	5.3
165.09067	1.9
169.12212	2.7
171.11644	2.4
173.09566	1.7
175.11189	4.9
176.14366	3.8
179.10692	3.2
183.11671	1.5
185.13112	1.5
187.11104	1.4
189.09094	1.3
189.12738	2.0
191.10693	3.5
193.12170	1.2
199.14832	6.1
201.12686	1.6
203.14340	8.7
205.12276	4.5
207.10149	3.0
217.15886	14.5
221.15315	2.3
227.14352	2.3
235.16963	2.2
245.05948	2.0
245.15367	27.3
253.18173	1.4
263.16425	100.0
273.09677	4.3
281.17505	17.4
283.11905	1.8
285.13321	2.9
291.10703	1.6
299.18448	1.4
301.12595	2.0
303.14151	1.5
343.58960	1.1
351.34213	1.4
367.17508	5.6
370.56882	1.1
371.18753	2.3
389.14197	2.3
389.19620	6.8
407.20624	17.3
418.71051	1.2
425.21664	19.5
443.22803	2.3
471.22336	1.9
564.27008	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	563.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01878	2.4
55.05515	24.4
56.52999	1.4
65.03957	2.2
67.05511	16.3
69.03427	2.6
69.07070	6.8
69.39539	1.5
71.05001	2.0
72.52603	1.5
77.03917	3.0
79.05509	19.2
81.03431	2.1
81.07063	46.7
83.04987	41.3
83.08595	2.5
85.02908	1.6
91.05487	24.3
93.07057	29.7
95.04971	6.7
95.08047	2.7
95.08615	36.0
97.06548	3.1
101.06019	2.1
103.05467	2.8
105.03403	33.0
105.04531	4.1
105.07043	41.3
105.07767	2.1
107.04967	8.6
107.08598	28.7
109.06524	10.3
109.10172	9.4
111.08051	2.8
115.05454	3.7
117.07018	6.6
119.08586	43.7
121.06513	7.1
121.10142	18.8
123.04414	1.5
123.08073	9.0
123.11709	2.3
123.16129	1.4
125.06068	1.6
128.06204	11.2
129.07018	10.9
130.07797	2.2
131.04916	2.6
131.08588	15.7
133.06523	4.7
133.09114	3.4
133.10139	68.8
135.08104	7.9
135.11684	4.1
137.09659	2.0
141.06952	7.4
142.07800	16.3
143.08572	27.6
144.09312	2.8
145.06506	4.3
145.10127	34.4
147.08054	10.4
147.11684	5.8
149.09660	9.6
151.11215	3.0
153.07025	3.4
154.07770	3.5
155.08569	12.1
156.09369	19.6
157.10139	56.5
159.08084	10.9
159.11703	24.4
161.05974	1.9
161.09627	18.3
161.13272	3.2
163.07513	2.3
163.11185	3.3
165.07010	5.9
166.07791	2.9
167.08525	8.5
168.09364	5.3
169.06578	2.1
169.10133	36.3
170.10930	7.5
171.08058	27.6
171.11699	54.7
172.08868	2.6
172.12483	1.6
173.09659	15.3
173.13261	15.6
175.11192	8.8
177.09114	1.6
178.07861	2.5
179.08611	8.8
180.09303	5.0
181.10149	14.0
182.10910	9.3
183.08067	4.2
183.11717	47.7
184.08827	1.7
185.09677	9.7
185.13277	23.0
186.10445	1.9
187.07584	6.4
187.11159	13.6
187.14819	10.0
189.09157	11.2
189.12747	3.9
189.92142	1.6
191.08611	4.0
192.09366	6.4
193.10144	14.2
194.10921	5.6
195.08104	3.5
195.11710	25.7
196.08847	2.5
197.09644	6.5
197.13252	32.1
198.10397	2.2
199.09473	2.8
199.11198	30.7
199.14859	4.1
200.11972	3.6
201.09215	1.7
201.12755	10.3
203.08623	1.6
203.10677	2.1
203.14412	1.8
204.09460	1.8
205.10208	7.6
205.11984	1.6
206.10966	8.0
207.08386	2.1
207.11714	33.3
207.13660	1.6
208.12453	3.8
209.09692	3.3
209.13266	15.7
210.10420	3.4
211.11195	11.7
211.14832	4.5
213.12798	17.7
215.08507	2.5
215.10681	3.9
215.14311	17.4
216.09334	2.3
217.10155	9.3
217.12065	2.5
218.10936	5.8
219.11739	11.5
220.12399	9.1
221.09773	2.2
221.13281	23.0
222.10562	1.6
222.14114	7.2
223.11192	5.8
223.14824	6.4
225.12738	10.4
225.16284	1.8
227.10687	2.0
227.14439	1.9
229.10114	3.0
229.12187	15.1
230.10925	6.5
231.11693	10.0
231.13875	4.9
232.12459	11.3
233.09731	2.4
233.13310	16.9
233.15416	3.2
234.10329	2.6
234.14085	2.9
235.11151	3.6
235.14862	17.0
237.12756	6.1
237.16322	7.1
239.14378	3.9
239.17888	2.2
241.12186	3.6
242.10834	1.8
243.11693	9.4
243.13893	6.3
244.12544	4.9
245.13295	16.3
246.14180	7.1
247.11076	2.2
247.14890	33.9
248.12057	1.8
248.15680	5.6
249.12737	12.1
249.16432	6.8
250.13660	3.4
251.14494	2.7
251.17979	4.8
257.13297	16.7
258.14114	7.2
259.14874	5.3
260.15582	4.6
261.12759	2.3
261.16431	12.5
262.17184	15.0
263.14465	12.4
263.17911	10.9
265.15982	9.8
265.19516	6.2
267.21100	2.4
271.15036	2.5
272.15604	14.2
275.14352	6.1
275.17981	25.5
276.15030	2.1
277.19522	74.3
279.17484	9.1
280.18369	2.1
281.15637	1.8
281.19040	4.8
287.17966	32.7
290.16702	5.6
293.19019	17.5
295.20563	24.2
297.18719	1.8
299.16351	2.2
305.19022	100.0
306.19485	2.0
311.20020	2.1
313.21497	1.9
323.20087	87.0
341.21066	14.2
405.24350	3.2
423.25589	3.5
427.23135	1.5
445.23373	1.6
477.22604	4.1
563.25903	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46941	4.4
53.03957	5.3
55.01872	6.3
55.05514	22.2
57.07072	4.7
66.18647	3.5
67.05495	17.7
69.03419	12.5
69.07063	8.5
72.88396	5.5
73.19634	4.3
79.05514	21.6
81.03381	5.2
81.07054	18.4
83.04988	39.1
83.08634	5.3
91.05470	40.7
93.03422	5.3
93.07055	25.2
95.04972	34.8
95.08616	11.1
97.02911	5.2
97.06576	5.8
103.05451	12.1
105.06371	6.5
105.07037	53.6
107.04967	8.5
107.08584	14.7
109.02853	4.6
109.06515	14.7
115.05450	15.9
117.07040	28.6
119.04962	6.7
119.08583	73.3
121.06495	12.6
121.10167	11.0
123.08135	7.2
125.02348	9.6
125.09689	4.8
128.06229	10.2
129.06995	18.6
131.04904	10.4
131.08580	31.9
133.06512	26.5
133.10149	35.1
135.04460	5.2
135.08034	25.2
141.06940	5.9
142.07777	15.4
143.04918	5.9
143.08537	32.6
143.45834	4.2
145.06483	19.1
145.10126	25.3
147.08052	33.0
147.11691	14.2
149.05916	6.9
149.09618	22.1
151.07567	8.5
153.07030	4.8
155.08566	19.6
156.09343	18.3
157.08929	8.5
157.10139	78.8
159.04382	5.3
159.08157	21.5
159.11694	50.2
161.05904	20.9
161.09665	17.0
163.07524	10.6
163.11116	5.8
165.07008	5.3
165.09157	8.1
167.08554	9.4
168.09428	5.3
169.10156	33.3
170.10921	10.9
171.08099	10.2
171.11705	70.4
173.06013	12.2
173.09618	25.0
173.13258	19.3
175.07556	18.2
175.11172	12.9
177.05438	6.0
177.09068	10.4
179.07086	9.6
179.08604	11.4
180.09320	9.2
181.06680	5.2
181.08670	4.2
181.10123	18.3
182.10919	5.7
183.08118	7.7
183.11693	100.0
184.12384	4.4
185.09642	20.4
185.13232	36.7
187.07486	8.7
187.11118	21.9
189.05513	10.0
189.09134	10.3
189.12718	6.9
191.07014	9.0
191.10683	9.4
192.09364	6.4
193.08621	9.8
193.10159	19.1
193.12161	4.5
194.10901	11.5
195.11746	11.7
196.08864	6.9
196.12573	4.7
197.09592	16.6
197.13213	13.7
199.11200	16.7
201.09154	10.0
201.12740	25.1
203.06964	5.9
203.10666	5.0
205.10248	10.5
205.12221	5.6
206.10905	12.7
207.11742	23.1
208.12422	7.6
209.09641	9.6
209.13242	18.0
211.07634	7.2
211.11174	23.0
211.14825	5.5
213.09154	14.7
213.12779	16.1
215.10704	11.2
216.09331	6.4
217.10217	9.7
217.12164	11.3
218.10930	8.1
219.11745	11.7
219.13725	6.1
220.12521	11.5
221.13322	23.0
222.14142	6.6
223.11140	12.9
223.14822	10.5
225.09224	6.9
225.12775	13.7
227.10745	9.9
229.12166	27.0
230.10913	5.9
231.11717	13.2
231.13829	16.4
232.12433	7.5
233.09633	6.4
233.13440	9.0
233.15294	8.2
234.14073	6.2
235.11259	7.6
235.14828	9.9
237.12703	16.4
237.16350	5.7
239.10643	5.9
239.14227	8.5
241.12424	6.0
243.11688	13.1
243.13837	14.8
244.12477	10.3
245.09586	7.1
245.13367	10.5
245.15469	8.6
246.10399	4.5
246.13991	7.5
247.11270	6.4
247.14806	17.3
249.12683	11.9
251.10742	4.4
251.14294	10.4
253.12418	5.9
254.10777	4.8
255.11748	7.0
257.13199	13.2
258.14047	12.1
259.15027	7.1
260.11868	8.1
261.12549	9.9
261.16724	8.7
263.10739	5.4
263.14261	9.8
265.12149	10.1
265.15778	6.5
269.13275	6.5
271.15018	7.0
273.12891	5.4
273.16327	10.7
275.14288	8.3
277.12048	7.8
285.12674	5.9
287.14368	5.7
288.11563	5.4
289.12045	5.7
289.15915	8.5
293.15356	10.7
296.11694	4.7
300.15149	7.0
301.08929	5.4
301.15714	9.9
303.13925	11.7
303.17316	9.5
305.15436	8.9
307.13184	5.8
307.16919	10.8
310.13470	5.0
311.12845	9.4
313.12070	6.1
315.17197	10.9
317.15228	10.8
317.18640	6.9
319.16940	9.7
321.18481	7.2
323.16385	6.9
328.14316	5.8
329.15289	21.8
331.16949	9.0
333.18250	7.8
335.16354	13.7
337.18030	7.7
339.16089	5.8
343.16782	18.9
345.14972	6.1
345.18616	6.4
347.16367	27.1
349.14294	7.0
349.17783	20.9
353.17557	12.0
361.18057	35.4
363.15894	10.4
365.17334	13.5
367.19141	22.3
371.16364	19.5
379.18994	8.9
385.19913	15.1
389.17499	39.5
403.19147	28.5
405.20779	6.8
407.18576	38.2
413.19754	5.6
417.16968	13.7
421.20139	43.1
423.22067	7.7
425.19623	11.2
431.18311	6.6
435.18063	19.5
439.21350	35.1
449.19632	24.6
453.19107	30.3
457.22211	13.7
467.20609	52.5
471.20007	5.2
485.21692	62.3
513.21094	10.6
563.26294	9.0
583.44452	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	563.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	57.4
65.33983	6.1
67.05500	23.8
69.03415	21.0
69.07066	7.4
69.36606	55.5
71.04996	10.0
71.90374	7.4
79.05489	28.4
81.03416	12.0
81.07050	23.9
83.04993	77.3
84.54251	8.3
91.05489	50.9
93.07043	26.8
95.04991	41.0
95.08600	27.2
96.86977	6.2
97.06550	14.4
105.03412	7.4
105.07021	65.6
107.04966	15.4
107.08596	30.9
109.06525	13.9
109.10128	7.6
109.29018	6.7
115.05492	9.9
117.07027	32.2
119.04915	7.4
119.08604	76.0
121.06536	19.1
121.10162	11.4
123.08078	18.8
125.06015	8.2
128.06212	7.5
129.07021	23.8
131.04913	16.7
131.08582	30.2
133.06512	24.0
133.10175	40.9
135.04381	7.4
135.08067	24.8
141.07027	11.6
142.07787	20.8
143.08556	40.3
145.06477	17.4
145.10130	41.7
147.04401	8.2
147.08041	30.8
147.11658	7.4
149.09601	30.3
149.32494	6.8
153.06992	10.0
154.07668	7.0
155.08560	23.0
156.09296	19.3
157.10135	96.6
158.10951	8.2
159.08044	29.1
159.11708	51.0
161.05972	24.8
161.09595	22.8
163.07579	22.6
163.11241	7.1
167.08563	19.6
168.09370	15.1
169.10129	50.2
170.10933	14.1
171.08136	12.1
171.11697	88.4
173.06017	10.4
173.09637	22.9
173.13242	18.4
175.07587	13.0
175.11145	8.8
177.09167	39.6
179.07098	10.7
179.08603	17.9
180.09502	8.5
181.10133	29.4
182.11041	7.3
183.08014	8.5
183.11700	100.0
184.12527	10.6
185.09644	18.7
185.13280	36.7
187.07520	13.4
187.11159	20.9
189.05498	13.3
189.09148	10.1
192.09387	9.0
193.10159	22.9
194.10878	12.0
195.08051	10.7
195.11679	31.0
197.09641	13.2
197.13322	22.1
199.11234	36.4
201.12730	27.2
205.10153	15.8
205.12137	6.9
207.11681	29.5
208.12454	15.6
209.13304	19.8
211.11203	26.6
213.09033	10.3
213.12685	21.9
217.10184	17.4
217.12181	12.3
218.10919	11.3
219.11707	16.0
220.12398	10.0
221.13222	29.6
222.10413	14.7
222.14009	11.8
223.11232	16.3
223.14738	11.0
225.09047	9.9
225.12746	25.3
227.10648	14.9
229.10077	17.8
229.12224	17.8
230.11131	9.3
231.11707	16.1
231.13689	14.0
232.12485	11.6
233.13158	21.4
233.15347	10.6
234.10654	7.2
235.11235	11.6
235.14818	20.3
237.08978	10.2
237.12813	15.3
237.16397	17.8
239.10756	10.9
241.10077	8.8
241.12277	12.5
243.11644	29.6
243.13873	15.6
244.12601	9.8
245.13268	29.9
246.14021	14.1
247.11224	10.5
247.14893	17.4
249.12714	9.3
249.16385	10.4
251.10709	8.1
251.14206	12.3
251.17979	6.9
253.09995	8.9
253.12325	14.6
257.13470	16.5
258.13998	14.7
259.11087	12.1
259.14755	24.2
261.12579	14.0
261.16791	9.9
263.14261	15.6
263.17810	6.7
265.12219	11.5
265.15833	19.0
271.11252	9.2
271.14722	11.4
272.12155	14.1
272.15466	8.8
273.12540	11.0
273.16556	14.9
275.14505	10.2
275.17819	8.0
277.12225	12.6
279.17465	8.7
283.14645	8.3
285.12668	9.8
286.13763	9.0
287.13901	10.4
287.17899	8.5
289.15671	13.2
291.13858	9.9
291.17300	9.8
292.14246	7.6
293.15329	9.7
299.14255	9.9
300.15198	10.1
301.15805	25.8
302.16443	8.5
303.13821	12.2
303.17459	12.1
307.16895	16.3
311.13455	13.1
315.17447	20.4
317.15466	8.9
319.16946	18.7
321.18256	9.0
325.18048	15.2
329.15283	24.3
331.13199	11.3
331.16901	15.2
333.18484	11.2
335.16275	13.3
343.16769	43.6
345.18585	12.7
347.16483	35.2
349.14136	8.2
349.18011	17.0
353.17450	9.1
357.18430	14.6
359.22217	17.2
361.18051	36.6
363.15948	8.8
365.17398	16.3
367.15387	14.6
371.16376	10.2
373.18100	8.3
375.19733	13.5
379.19022	29.1
381.16895	11.2
385.18073	23.2
389.17184	32.2
393.16693	10.6
403.18469	39.3
405.20813	9.6
407.18594	34.6
417.21194	8.0
421.20251	39.6
425.19458	19.9
435.17725	21.2
439.21164	22.5
441.22711	13.8
449.19696	14.0
453.18860	14.6
463.23260	38.9
467.20755	40.3
471.20016	11.0
485.21680	62.4
503.23077	41.9
563.25842	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	563.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	24.8
55.99136	5.3
63.98795	5.1
67.05512	28.6
69.03438	12.4
69.07053	12.6
79.05495	38.7
79.95310	6.2
81.03420	15.1
81.07053	28.7
83.04997	50.0
83.08623	10.4
85.06535	7.5
91.05467	61.5
93.07049	45.0
95.04965	22.1
95.08593	39.4
103.05521	10.3
105.03392	9.5
105.07027	63.5
107.04951	13.5
107.08596	36.5
109.06531	8.8
109.10135	10.9
111.08069	8.0
114.37096	5.8
115.05437	9.8
117.07020	23.4
119.04978	7.8
119.08588	82.0
121.06497	19.7
121.10159	21.7
123.08099	8.2
128.06239	10.1
129.06131	5.3
129.07040	20.3
131.04913	8.2
131.08580	59.7
133.06496	14.6
133.10135	33.4
135.08052	28.2
141.07028	9.5
142.07790	14.2
143.08560	39.7
145.06508	13.0
145.10091	36.7
147.08060	33.6
147.11671	29.8
149.09636	47.8
155.08563	25.3
156.09341	21.9
157.10133	86.5
159.08047	21.8
159.11696	47.4
161.05994	10.5
161.09644	15.9
161.13223	9.8
163.07561	8.5
165.07034	10.5
167.08607	13.3
169.10130	37.0
170.10887	20.8
171.08067	12.2
171.11679	91.6
173.05989	9.3
173.09654	32.3
173.13286	23.0
175.07660	8.5
175.11157	12.8
177.09109	11.4
179.07104	7.9
179.08551	11.9
180.09338	9.4
181.10127	21.8
181.51038	5.7
182.10854	7.3
183.08121	8.9
183.11693	100.0
185.09627	19.1
185.13293	35.1
187.11203	31.1
187.14752	7.0
189.09091	9.8
189.12799	10.1
191.10686	8.3
192.09373	9.8
193.08598	8.4
193.10153	16.7
194.10974	12.9
195.11720	26.1
197.09602	27.0
197.11476	7.9
197.13240	29.1
199.11200	15.7
199.14789	14.9
201.09204	7.5
201.12721	22.2
206.10921	19.4
207.11707	31.4
208.12534	14.4
209.09705	8.4
209.13243	28.4
211.11221	23.7
211.14864	10.2
213.09207	9.4
213.12769	20.7
215.10686	12.0
217.12210	8.9
218.10796	7.6
219.11671	19.3
219.13676	8.2
220.12416	14.5
221.13338	31.9
223.11180	12.1
223.14845	22.8
225.12724	17.0
227.10710	6.5
229.10252	8.1
229.12213	14.5
229.59120	6.7
231.11740	15.6
231.13881	16.4
232.12486	17.7
233.13443	11.7
233.15413	14.9
234.10368	7.4
234.14015	6.6
235.11224	12.7
235.14816	18.2
237.12796	16.4
237.16350	9.3
241.12396	7.9
242.10793	6.6
243.13828	18.1
244.12480	13.4
245.13245	17.2
245.15579	9.2
246.14117	15.2
247.11116	10.3
247.14954	32.5
248.11923	7.3
249.09117	7.4
249.12646	7.0
249.16411	10.6
251.10690	6.6
251.14342	12.8
255.14078	7.3
257.13220	12.7
258.14011	13.0
259.15005	10.5
260.15695	9.0
261.16504	11.0
262.13458	7.6
263.14340	11.7
265.15955	9.5
267.13782	9.6
267.17389	6.6
271.14853	6.7
272.11676	8.4
272.15897	7.9
275.14182	8.1
277.16089	9.0
279.17731	6.8
287.14178	7.8
289.15741	11.8
291.17300	8.6
293.15289	6.4
301.15802	17.9
303.13803	7.4
303.17297	7.3
307.16931	10.2
314.16550	6.6
317.18796	8.7
319.16794	14.4
321.15002	10.4
321.18594	17.9
325.18332	6.4
331.16766	10.7
333.18353	14.0
335.16321	14.4
337.17953	9.6
339.19641	12.9
343.16830	13.7
345.14777	8.4
345.18655	12.0
347.16330	30.0
349.17935	19.1
353.17758	7.7
355.22662	20.9
357.24365	9.0
361.17975	17.6
365.17471	21.7
367.19275	11.6
371.25681	8.3
377.21280	8.0
379.19101	19.9
385.19614	6.7
389.17484	21.0
399.25449	38.9
403.19293	20.6
407.18719	29.3
409.20087	11.5
421.20065	24.6
423.21658	10.3
425.19583	11.1
427.20990	12.1
435.09045	7.2
435.18115	12.2
439.21161	42.1
441.22427	8.1
445.21436	6.2
449.19479	16.1
453.18964	10.9
457.22183	23.4
467.20596	25.7
485.21707	35.1
503.26694	47.0
563.26428	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	562.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.0
55.01882	9.9
55.05516	20.4
57.03445	17.6
61.94173	2.4
62.25130	2.1
65.03941	3.2
67.05177	4.3
67.05517	55.2
69.03436	7.5
69.07071	21.4
69.23988	7.7
69.24408	13.3
70.48021	1.9
71.04997	8.6
79.05504	36.2
81.03424	63.7
81.07067	57.2
81.27291	2.2
83.04999	18.8
83.08640	18.6
85.02917	10.8
85.06551	6.4
91.05489	49.8
93.07059	33.0
95.04974	33.0
95.08617	23.9
97.02895	3.4
97.06547	7.5
97.10179	6.4
103.05420	2.8
105.03406	3.3
105.04516	2.5
105.07041	39.9
105.42393	2.1
107.04958	10.5
107.08595	33.8
109.06522	7.3
109.10167	42.1
111.04466	2.7
111.08086	7.7
113.06021	2.4
115.05449	2.4
117.07047	6.4
119.08579	23.7
121.06536	6.2
121.10149	14.0
123.04499	3.2
123.08114	3.8
123.11734	5.8
125.09637	6.6
129.05452	2.2
129.07014	8.1
131.08582	17.2
133.06506	5.0
133.10149	59.7
135.08067	5.7
135.11728	6.7
137.09592	2.3
141.22978	2.4
143.08601	3.0
145.10199	6.0
147.08035	5.3
147.11711	11.0
149.09651	11.8
149.13217	3.0
151.11208	22.8
157.10162	15.7
159.11678	4.1
161.09665	4.4
163.11197	2.2
165.12807	3.3
169.10199	2.6
169.12297	5.5
171.11661	3.2
173.09756	2.4
175.11226	11.5
179.10661	3.7
181.12173	2.4
183.11613	2.7
193.12233	22.1
211.13280	18.5
227.12834	2.8
229.14372	4.9
245.19145	2.6
253.14378	96.9
255.17555	2.3
263.19992	4.5
267.15948	41.8
269.13766	4.2
271.15439	18.3
273.15823	2.4
273.18350	12.2
278.75375	2.2
285.16998	22.8
291.19482	12.2
316.62820	2.3
347.22086	6.6
354.88257	2.1
365.23279	100.0
367.22861	5.0
385.23779	6.0
403.24707	4.2
459.27478	39.2
477.28568	71.5
527.28412	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	561.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.6
55.01869	3.5
55.05512	24.3
57.03426	5.2
57.07075	2.9
58.79567	1.2
59.05008	1.4
61.02903	1.2
65.03954	7.2
67.05506	83.0
69.03428	3.2
69.07066	22.2
71.04995	44.6
71.08627	1.3
71.56586	1.8
79.05494	62.1
81.02974	1.2
81.03414	5.2
81.07060	100.0
83.04981	10.2
83.08624	12.2
85.06525	7.5
91.05486	61.0
93.07050	69.0
95.04970	7.2
95.08611	43.6
95.09228	1.4
97.06538	11.3
97.10168	5.6
99.08130	2.2
105.04524	2.6
105.07031	35.4
107.04965	3.3
107.08595	37.9
109.06504	5.2
109.10155	20.0
111.04412	2.2
111.08093	4.7
111.74246	1.2
111.95341	1.3
115.05431	3.0
117.07036	12.5
119.08586	22.2
121.06522	1.8
121.10151	27.2
123.08029	3.5
123.11697	16.3
125.09615	2.9
129.07014	4.1
131.08560	20.1
133.10133	32.6
133.11089	2.4
135.08060	2.6
135.11703	18.3
137.09657	1.6
137.13232	2.1
143.08563	4.1
145.06509	1.8
145.10109	13.6
147.08020	2.2
147.11684	8.5
148.07384	1.4
149.09612	1.8
149.13257	14.2
151.11169	11.4
153.12769	2.8
155.08531	2.3
157.10110	5.5
159.11720	14.8
161.13254	6.8
163.11224	3.6
165.12773	1.8
169.10110	1.8
169.17863	1.8
171.11717	5.2
173.13260	5.0
175.11156	1.7
175.14824	1.6
177.12766	4.4
179.14262	1.8
181.12202	1.8
183.12245	2.0
183.13802	15.0
185.13287	2.5
187.13315	2.0
187.14900	2.0
189.12744	1.3
195.13831	4.9
197.13223	2.2
199.14828	2.1
200.02145	1.4
203.14349	1.4
209.11842	1.6
213.12854	1.3
223.12346	1.4
227.12852	2.6
228.43820	1.4
241.19473	2.0
247.08653	1.6
253.17871	1.8
259.20654	2.0
261.22214	3.6
262.06427	1.3
269.17441	3.3
283.18726	2.8
285.16965	2.9
287.23431	1.5
317.24661	2.0
319.22610	1.8
335.25739	2.1
352.14365	1.5
361.27304	2.5
363.25150	3.4
431.22498	1.7
433.30786	1.7
437.34229	1.6
445.19980	1.8
455.35464	2.1
459.21552	3.4
487.21121	3.1
511.37982	1.9
517.38953	21.8
525.35895	2.4
529.39008	27.0
543.36517	13.7
561.25024	57.7
561.41748	86.4
562.25507	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	561.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.2
53.03940	6.0
55.01869	5.4
55.05515	21.7
57.03434	5.3
57.07070	3.7
59.05022	1.8
65.03939	5.4
67.05509	89.6
67.22795	1.2
67.57904	1.3
69.03426	2.7
69.07069	20.3
71.04594	2.5
71.04997	47.9
71.08628	2.3
71.55492	2.3
79.05500	70.4
79.44394	1.5
81.03421	6.6
81.07062	100.0
83.04984	11.2
83.08621	12.6
85.06533	6.1
85.95582	1.3
87.04448	1.9
91.05485	64.7
93.07048	72.4
95.04966	9.0
95.08614	47.7
97.06553	8.7
97.10175	6.3
99.08101	3.9
99.44115	1.3
101.06051	1.8
105.04572	1.9
105.07037	39.9
107.04929	3.2
107.08597	40.0
109.06551	2.6
109.10157	19.1
111.08086	5.5
115.05467	1.7
117.07014	13.6
119.08575	19.5
121.06506	2.2
121.10143	26.7
123.08055	2.3
123.11720	16.8
125.09666	4.3
129.07001	4.4
131.08574	18.0
133.10133	34.7
135.08119	1.9
135.11697	18.6
137.09554	1.5
143.08577	4.9
145.10144	10.1
147.11671	9.3
149.09563	1.7
149.13266	15.2
151.11195	13.0
157.10175	4.9
159.11697	13.9
161.09607	1.5
161.13258	7.5
163.11227	4.5
165.12762	1.5
169.10124	2.4
169.12265	1.5
171.11702	4.8
173.11954	1.8
173.13248	7.6
175.11150	1.7
175.14859	3.4
177.12787	1.8
179.14236	1.6
183.12250	2.1
183.13814	16.4
185.13254	2.3
187.13283	3.2
187.14839	1.9
195.13818	7.4
199.14909	1.9
227.12852	3.1
227.16374	2.0
243.21201	1.4
261.22119	4.8
267.15939	3.6
269.17599	4.5
275.20166	3.0
277.21649	5.3
283.15790	1.5
283.19098	3.1
285.16992	4.1
317.24640	3.3
335.25766	4.9
349.27258	1.9
351.25226	1.9
361.23187	1.6
361.27121	2.9
363.25360	3.1
377.24542	2.5
395.71182	1.6
455.35449	1.7
461.79477	1.4
469.32788	2.0
511.37869	1.6
517.38983	27.8
525.35028	2.9
529.38971	16.7
543.36859	17.7
561.24255	6.4
561.41730	97.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	22.4
55.90228	1.9
57.03441	2.5
57.07072	2.3
59.05005	3.9
67.05508	31.8
69.03418	6.3
69.07073	16.1
71.05003	4.6
73.06563	3.2
73.59948	1.9
76.02353	2.0
79.05498	26.6
81.03401	2.1
81.07063	60.2
83.04993	13.4
83.08617	8.6
85.06537	3.4
91.05479	19.3
93.07056	50.3
95.04958	4.1
95.08611	57.4
97.06530	26.6
97.10170	4.9
98.20782	4.0
99.08083	2.3
105.06384	3.5
105.07034	41.3
106.57793	1.8
107.08598	39.9
109.06509	5.9
109.10165	35.7
111.08101	21.4
113.09669	3.8
117.07013	8.1
119.08591	40.2
121.10164	36.9
123.08089	3.6
123.11721	10.4
125.09641	4.6
126.98495	1.9
128.06212	2.8
129.06996	6.9
131.08569	21.9
133.10144	29.8
135.08072	3.2
135.11681	16.4
136.00760	2.1
137.09578	2.9
139.07556	26.3
139.11110	2.1
142.07761	4.4
143.08607	23.1
144.09262	2.1
145.10132	42.6
147.08020	3.0
147.11716	26.8
149.09671	4.4
149.13263	12.9
151.11201	4.1
153.09161	2.1
154.53241	2.3
155.08546	6.4
156.09328	5.5
157.10139	32.2
159.07976	3.0
159.11702	44.6
161.09563	3.4
161.13242	20.5
163.11174	4.8
163.14844	5.1
165.09131	2.3
168.09404	2.3
169.10139	22.4
170.10875	4.9
171.11690	25.9
173.13277	28.8
175.11255	2.6
175.14783	10.8
177.12766	7.6
177.16377	2.3
179.14310	2.0
181.10173	5.8
182.11009	3.1
183.11725	20.2
185.13293	36.6
187.14842	25.3
189.12788	2.8
189.16399	4.7
191.14268	4.4
195.11703	8.8
196.12431	2.6
197.13263	16.5
199.14871	28.0
201.12747	2.9
201.16423	14.2
202.79646	2.2
203.14342	7.7
205.15822	3.0
209.13242	8.4
211.14842	16.6
213.16396	18.9
214.17075	2.2
215.14381	2.7
215.17963	6.1
217.15776	2.7
217.19504	2.4
221.13278	3.9
223.14761	9.6
225.16403	12.0
225.18324	2.1
227.17924	22.6
229.15875	5.1
235.14738	3.6
237.16425	8.4
239.18002	14.1
241.19556	4.3
243.17447	4.6
245.19022	20.1
249.16495	2.8
251.17993	8.4
253.19536	10.4
255.17438	3.4
255.21057	7.8
257.19070	5.6
263.18002	4.8
265.19479	7.1
267.21136	9.1
271.20599	4.1
274.99414	2.2
277.19467	2.6
279.21082	3.5
281.19122	4.6
281.22696	6.8
283.24350	3.2
285.22159	3.9
291.21051	2.3
293.22690	16.3
295.24237	9.9
307.24179	7.5
309.22229	4.7
311.23642	21.3
312.24066	2.8
313.25266	10.9
321.25662	5.4
323.23660	2.7
323.27341	2.1
325.25311	8.4
329.24814	4.2
333.25876	5.8
339.26874	8.0
349.25293	2.3
351.26886	20.1
355.26447	2.8
365.28366	5.3
367.26172	4.4
369.28003	13.0
379.26227	4.8
381.27789	3.3
393.31653	3.4
397.27209	3.3
399.29028	3.5
401.20963	3.4
405.31641	9.8
415.28458	75.5
423.32562	9.1
429.30072	11.2
433.31009	5.6
441.33441	3.0
445.29587	3.4
447.30930	5.7
451.32016	6.2
457.46127	2.2
465.33441	4.4
469.33173	30.4
483.34714	6.5
487.34186	100.0
501.35895	15.7
529.35419	3.3
543.36664	7.2
561.28149	3.6
561.37860	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	561.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01862	4.7
55.05509	9.9
67.05524	7.9
69.03416	2.2
69.07059	4.2
69.19861	1.5
71.55159	2.9
79.05496	14.0
81.03396	2.0
81.07077	9.0
83.05006	11.8
91.05488	28.7
93.07059	10.0
95.04970	6.2
95.08601	5.0
97.06519	3.2
102.04633	1.5
103.05476	58.9
105.03391	2.6
105.04563	1.9
105.06380	3.0
105.07037	35.7
107.04995	2.2
107.08617	8.5
109.06525	5.0
109.10177	2.7
115.03934	2.4
115.05467	8.6
116.06255	4.2
117.07024	16.8
119.08582	30.7
121.06502	6.7
121.10151	5.6
123.08010	2.8
128.06198	8.1
129.07021	8.6
130.07800	2.5
131.04935	100.0
131.08574	16.7
133.06491	7.4
133.10141	17.1
135.08066	3.3
135.11749	2.6
141.07033	5.3
142.07785	9.7
143.08586	17.9
145.06506	3.6
145.10135	14.4
147.08060	7.5
147.11673	5.4
149.09610	6.8
153.07059	2.7
154.07779	2.1
155.08536	10.6
156.09331	10.6
157.10126	27.2
159.08047	11.6
159.11682	12.5
161.05998	2.6
161.09607	6.8
163.07576	2.2
163.11139	4.0
165.06978	4.2
165.09082	2.0
166.07823	2.8
167.08655	4.3
168.09354	2.2
169.10100	12.4
170.10931	8.5
171.08055	5.8
171.11711	37.9
173.09627	10.2
173.13280	4.1
175.11185	3.4
179.08571	6.3
179.10686	2.9
180.09438	4.0
181.10112	7.1
181.85866	1.7
182.10854	4.7
183.08151	2.5
183.11717	23.5
184.08791	2.4
185.09642	7.3
185.13272	27.4
187.11246	8.8
189.09099	2.9
189.12697	2.1
191.08611	3.0
192.09349	4.1
193.10156	4.2
195.11736	11.7
197.09634	4.5
197.13316	11.1
198.10284	2.5
199.11240	12.6
200.11832	2.3
201.09189	2.2
201.12741	5.3
203.08665	2.8
204.09317	2.1
205.10150	4.8
205.12137	2.2
206.10863	3.0
207.11699	7.1
209.09679	2.0
209.13277	6.5
210.10382	2.1
211.11201	4.1
213.12733	24.6
215.08752	2.3
215.10687	3.6
215.14333	3.1
217.10201	4.0
217.12241	8.4
218.10963	3.8
219.11829	8.1
220.12524	5.4
221.09499	2.4
221.13271	7.1
223.11171	3.5
225.12675	3.1
227.10655	3.0
228.09441	1.8
229.10097	6.0
229.12305	6.8
230.10959	4.6
231.11652	7.2
231.13808	6.0
232.12550	4.1
233.13229	7.3
233.15298	2.8
235.11166	6.2
235.14896	3.9
237.12743	3.7
237.16411	2.5
240.09229	1.8
241.10069	3.3
241.12262	10.0
243.11717	6.0
243.13812	4.8
244.12471	1.9
245.13240	6.6
245.15417	11.4
246.14082	4.3
247.11203	3.1
247.14890	5.3
249.12689	5.0
253.12230	2.1
254.10977	2.3
255.11646	9.0
255.13936	3.4
256.12469	3.0
257.13184	5.8
257.15549	3.3
258.14099	4.0
259.12946	2.4
259.14874	6.9
260.15332	3.2
261.12698	4.1
261.16373	3.3
263.18011	3.7
269.13214	8.0
270.14008	7.9
271.14835	6.5
273.14575	9.2
274.17172	3.0
275.14935	1.6
275.17853	9.6
277.16034	2.2
284.15741	4.2
285.16345	13.1
286.16983	1.9
287.14322	4.8
287.17966	5.0
289.19571	5.9
291.15964	4.1
297.12714	2.9
299.17978	11.2
303.17404	9.1
307.16873	2.1
312.99432	1.8
315.17429	3.6
317.18823	8.7
327.17542	8.1
333.18665	2.3
335.20093	3.8
345.18497	12.9
347.20169	3.7
349.21603	6.8
359.20087	9.9
363.19534	9.8
377.21024	16.1
381.20578	5.3
395.22177	12.9
401.21014	5.8
408.54208	1.8
413.23035	3.9
461.23074	2.9
525.26959	1.8
543.27673	2.7
543.36151	3.5
561.27844	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	561.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.2
55.05510	6.1
67.05493	6.9
69.03416	11.0
69.07051	9.5
71.04996	4.2
79.05489	8.8
81.07043	13.1
83.08611	5.7
85.06527	7.8
87.04468	4.1
91.05471	13.0
93.07047	13.6
95.04952	6.5
95.08595	12.6
97.06529	3.7
97.93492	3.2
103.05466	4.5
105.07034	25.9
105.91326	2.7
107.08603	22.7
109.06544	4.4
111.08064	3.8
115.05468	3.5
117.07001	9.6
119.07874	3.5
119.08592	27.7
121.06461	4.1
121.10127	11.8
123.08042	4.0
128.06230	5.4
129.07005	11.9
131.08575	16.2
133.10114	22.8
135.08029	6.9
135.11656	5.1
137.09590	3.2
137.46635	2.7
141.06984	5.2
142.07765	9.5
143.08537	24.3
145.10123	26.0
147.08063	3.2
147.11661	13.7
151.07526	5.0
153.06995	3.7
155.08554	18.1
156.09322	7.2
157.09142	3.5
157.10147	38.6
159.07994	6.4
159.11714	21.2
161.09593	6.6
161.13258	7.3
163.07523	4.5
163.11179	3.2
165.06979	5.8
165.09180	3.5
167.08524	11.3
169.10155	29.7
170.10870	4.2
171.11682	23.3
173.09619	7.8
173.13190	13.0
173.23753	3.2
175.11200	4.6
176.56343	3.1
177.09077	5.4
179.08514	7.5
180.09361	3.8
181.10130	26.5
182.10915	8.3
183.08037	4.0
183.11690	32.2
184.12460	3.4
185.09595	7.8
185.13252	12.1
187.11179	3.9
189.09180	5.6
191.10652	5.3
193.10112	14.1
194.10863	8.7
195.11673	34.9
197.09630	4.4
197.11757	3.8
197.13213	21.1
199.11176	6.3
199.14804	8.0
201.12636	3.9
203.10672	3.0
205.10143	6.8
205.12103	3.8
206.10896	7.8
207.11707	25.0
208.12445	9.5
209.13252	30.1
210.14085	7.3
211.11188	4.4
211.14816	18.4
212.15446	3.4
213.12662	4.1
215.10725	4.1
217.12196	5.6
219.11667	10.0
219.13631	3.7
220.12424	3.6
221.13275	21.5
222.14119	7.7
223.14787	37.2
225.12759	5.7
225.16383	11.0
231.13795	6.0
232.12457	3.9
233.13213	8.2
234.14087	5.1
235.14748	15.8
236.15552	3.3
237.12746	6.1
237.16432	19.8
239.14339	4.8
239.17982	5.7
241.12137	4.4
241.15800	3.9
243.13843	5.6
245.13362	4.5
247.14909	17.8
248.15547	3.5
249.12823	4.5
249.16362	12.7
251.14352	6.8
251.18053	6.1
253.12204	5.4
255.13817	7.2
257.15332	9.1
259.14719	4.5
260.15652	3.3
261.12756	3.9
261.16373	11.6
263.14310	7.7
263.17880	13.1
265.16028	6.0
265.19504	19.2
267.13608	3.5
267.20789	3.1
269.15384	8.6
273.16302	5.1
275.18060	5.3
277.19412	4.7
281.15250	4.8
283.16946	17.9
287.17883	4.1
289.15952	3.0
289.19330	6.9
291.17468	7.0
303.20929	3.8
305.18970	22.1
307.17175	6.0
307.20581	19.2
315.17435	3.7
319.17068	5.2
323.20087	25.5
325.18152	5.1
325.21588	100.0
326.22186	6.5
331.20425	6.0
333.18671	3.4
337.17914	4.7
349.21512	4.2
351.19455	4.4
353.21143	5.5
357.22281	5.6
375.23355	14.4
379.22644	8.8
379.34705	3.3
393.24142	15.8
397.19513	6.7
397.23816	8.8
403.22440	4.2
411.20856	3.6
411.25546	6.1
421.23792	29.0
427.24609	8.0
429.22629	23.9
439.24893	42.2
457.26013	33.4
501.24414	5.3
561.26514	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	561.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	12.1
55.01871	19.6
55.05517	16.0
64.61977	3.1
67.05517	18.0
69.03430	10.2
69.07073	10.9
71.56322	3.9
77.16294	3.5
79.05506	20.6
81.03426	17.6
81.07060	14.8
83.04989	14.4
83.08603	4.9
85.02911	9.6
86.99033	3.3
90.11106	3.2
91.05482	34.9
93.07053	20.6
95.04970	34.3
95.08598	16.5
97.10184	8.9
103.05479	6.5
103.73197	3.8
105.00072	5.3
105.03395	100.0
105.04516	7.6
105.07022	31.4
107.04935	9.1
107.08595	23.0
109.06525	8.4
109.10155	8.9
111.04471	3.2
111.08113	3.3
115.05468	25.0
117.07034	49.8
119.04935	3.8
119.08588	49.8
120.08909	4.9
121.06506	14.4
121.10136	11.6
123.08065	6.5
125.09628	4.8
127.03914	3.9
128.06241	9.0
129.07014	14.9
131.08598	22.8
133.06517	9.5
133.10152	17.9
135.08060	22.9
135.11697	3.2
137.06021	4.4
141.07042	4.9
142.07808	6.7
143.08562	20.1
145.04895	4.2
145.05312	4.8
145.06490	56.5
145.10149	30.0
147.08070	60.1
147.11763	5.1
149.09612	12.7
155.08575	10.6
156.09354	12.2
157.10141	37.1
159.08061	19.9
159.11743	20.9
161.05986	4.1
161.09619	19.6
163.04262	3.6
163.07545	60.7
165.06975	4.0
167.06973	3.5
167.08560	5.3
168.09306	5.4
169.10100	16.1
170.10884	8.9
171.08099	15.0
171.11684	31.8
172.08946	4.9
173.06035	18.8
173.09631	31.6
173.13251	11.8
175.07582	9.3
175.11180	10.1
177.09111	14.1
178.07748	4.7
181.10065	7.9
182.10976	4.0
183.07982	5.4
183.11780	20.0
185.09645	15.7
185.13280	17.5
186.10283	4.0
187.11153	23.2
189.09158	10.8
189.12781	4.1
191.03723	4.9
191.10634	8.3
193.10146	10.8
195.08073	3.8
195.11697	16.5
197.09621	10.1
197.13228	8.3
198.10358	5.7
199.07469	5.5
199.11209	25.0
201.09186	6.5
201.12804	10.4
203.10829	5.6
206.10843	4.0
207.11723	15.0
207.13515	3.4
208.12419	5.0
209.09679	4.8
209.13243	12.7
211.11172	15.6
212.75992	3.4
213.09233	5.4
213.12782	17.7
215.10637	8.8
217.10373	5.2
217.12288	9.0
219.11829	6.1
220.12422	4.2
221.09657	4.5
221.13254	12.0
223.11159	7.6
223.14845	7.9
225.12840	8.3
227.10625	9.9
227.12732	5.1
229.12297	14.9
231.10162	14.0
231.13885	8.9
233.11552	7.3
233.13550	5.5
235.14935	5.6
237.12946	8.4
239.10635	5.9
241.12141	5.5
243.13831	5.2
245.11575	20.0
247.11147	5.0
247.13429	11.6
249.12779	8.6
251.14316	5.2
253.12260	4.1
255.14005	4.3
259.13242	5.3
261.12595	4.6
263.14334	7.2
267.13843	5.3
269.15408	10.9
274.13528	3.8
275.12802	6.4
285.14987	5.7
287.14258	4.8
289.15671	5.7
295.20236	3.8
299.14371	3.8
301.15799	4.1
303.17480	4.8
313.15817	5.7
314.16971	4.1
315.17407	4.7
317.15436	5.8
318.25159	5.8
329.15222	3.9
329.18942	4.2
331.16809	7.0
343.17004	4.1
345.18570	6.9
346.20993	6.4
347.16278	3.9
347.20169	5.7
349.18143	4.7
357.18478	10.4
359.16406	3.8
361.18057	6.3
363.19882	3.5
364.22144	19.0
365.21304	4.8
373.17786	7.3
375.19547	9.6
377.17245	5.7
379.19217	5.4
391.19022	27.8
393.20663	26.1
399.10623	5.9
403.19019	35.4
405.20605	5.1
409.20035	6.7
411.21841	30.0
421.20145	45.7
439.21207	27.7
483.24252	5.4
501.24493	5.8
529.24164	3.8
543.23480	29.8
561.24976	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	561.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.6
55.01870	19.9
55.05507	10.3
56.37907	4.4
57.03424	4.5
59.04982	6.4
63.07126	4.5
65.03946	4.7
67.05509	24.2
67.19913	4.5
69.03428	45.8
69.07040	3.9
69.29792	10.7
69.30194	39.5
69.84323	3.8
70.06596	4.9
79.05487	31.9
81.03422	31.8
81.07043	26.4
83.01331	6.0
83.04973	14.2
85.02888	15.8
87.04474	16.8
91.05482	38.3
93.07040	23.4
95.04952	34.5
95.08587	21.6
97.02842	6.0
97.06521	9.2
99.04460	9.6
103.05461	9.6
105.03365	9.8
105.07037	48.2
107.04962	12.3
107.08591	22.3
109.02883	14.0
109.06513	30.1
109.10151	6.3
111.04451	11.8
111.08113	8.5
115.05453	10.2
116.06239	5.6
117.07041	23.1
119.04961	7.6
119.08597	42.9
120.50410	4.8
120.99551	7.0
121.02888	7.5
121.06516	17.8
121.10139	11.8
123.04430	6.3
123.08090	10.3
123.11700	6.2
125.05949	7.6
127.03928	18.5
128.06236	12.9
129.07004	23.2
131.08578	44.9
133.06500	29.8
133.10139	18.0
135.04376	7.4
135.08078	21.2
137.06003	27.2
139.03900	8.2
141.06975	16.5
142.07745	10.4
142.54430	4.7
143.08539	33.7
145.04918	5.6
145.06477	31.6
145.10129	24.4
146.07257	5.1
147.04382	7.9
147.08031	23.7
147.11655	7.5
149.05983	17.1
149.09618	13.0
151.07587	9.7
153.05499	10.9
155.08585	19.0
156.09305	19.8
157.06516	7.8
157.10150	25.5
159.08075	39.7
159.11703	14.1
161.05974	45.2
161.09631	17.0
163.07530	13.7
165.05493	7.2
165.06987	10.7
165.09103	5.3
167.07111	8.2
167.08577	10.3
168.09288	5.2
169.06471	5.8
169.10153	16.9
171.08035	21.8
171.11740	24.9
173.09613	17.7
173.13272	11.4
175.07576	14.4
175.11250	5.2
177.05536	10.6
177.09138	9.1
178.07843	5.5
179.07025	19.6
179.08446	8.6
181.06535	8.5
181.10168	14.5
183.08070	12.5
183.11699	14.5
184.08812	8.0
185.05949	10.7
185.09668	22.0
185.13254	11.6
187.07565	15.2
187.11137	17.2
189.09137	16.8
192.09349	6.1
193.10149	10.8
195.06433	5.5
195.08144	10.1
195.11690	9.5
197.06036	5.8
197.09644	25.1
198.10240	5.3
199.07552	18.2
199.11174	57.6
201.12776	24.6
203.06984	9.4
203.82593	4.6
205.08527	11.6
207.11761	10.3
209.02846	6.8
209.09605	20.5
209.13298	10.4
210.13602	4.4
211.07695	5.6
211.11165	13.1
211.14763	5.8
213.05467	9.3
213.09120	18.2
213.12799	8.6
215.10651	16.7
217.08609	24.7
217.12360	6.0
221.09547	5.9
221.13235	7.5
223.11214	10.3
223.14923	4.9
225.04335	13.5
225.09070	21.4
225.12711	7.7
227.04024	5.8
227.10675	50.6
227.14265	6.7
229.08694	8.0
229.12262	11.4
235.09500	11.3
239.10713	6.7
241.12309	9.2
242.13329	4.9
243.13860	6.3
244.12610	6.7
245.08066	73.9
245.11664	9.4
249.11192	5.4
253.12357	6.5
255.10208	8.1
255.13788	6.4
257.08014	7.7
257.11734	11.5
259.11185	5.9
259.13504	6.5
265.12170	6.2
285.11163	9.6
287.12708	36.1
291.13632	5.1
295.20474	9.3
303.12573	10.7
305.13983	15.5
315.12418	6.3
345.13373	53.6
346.14124	12.0
347.14896	100.0
359.16095	10.3
365.16061	28.0
375.16214	5.1
377.17062	5.8
387.15582	8.2
399.10608	13.6
399.18927	6.3
403.15253	5.2
403.28510	6.1
405.16809	11.5
405.29462	7.5
433.16418	7.3
439.21051	17.4
447.17935	14.1
451.17444	7.0
453.19479	6.6
465.19116	31.1
475.25064	21.0
483.19742	25.7
499.32141	7.3
501.21277	7.3
507.20361	11.1
513.21295	30.8
525.21063	33.2
543.22198	50.8
561.29364	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	560.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	7.0
55.05730	1.6
57.03418	5.5
57.07076	23.1
59.04984	2.8
63.55900	1.4
67.05508	48.0
69.07069	7.6
69.29123	4.3
69.29544	9.3
71.04996	16.7
71.08640	17.8
79.05470	6.3
81.07067	17.8
83.04934	1.8
83.08627	9.6
85.02916	1.4
85.06542	1.7
85.10199	11.4
89.06014	2.2
91.05496	8.7
93.07051	8.1
95.08604	23.2
97.06544	2.3
97.10160	3.6
105.07020	1.6
107.08582	3.4
109.10161	50.5
111.08020	1.4
111.28274	1.4
111.35593	1.6
117.06948	1.5
119.08554	5.8
121.10158	2.1
123.11699	1.8
133.10133	1.6
135.11685	7.8
137.09608	6.4
145.10164	2.4
155.10681	2.1
171.34149	1.5
173.11722	5.4
239.23778	1.9
255.15926	4.7
287.18524	22.1
313.27390	24.9
435.94220	1.7
438.39526	1.7
467.37366	100.0
481.38727	1.8
493.38596	4.3
525.41504	47.9
560.49658	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01858	1.0
56.96564	2.1
57.03439	1.9
61.02940	2.6
63.90063	0.3
68.98291	0.4
69.03434	10.5
70.06553	0.5
71.04982	0.6
73.02906	1.2
76.45280	0.4
79.05527	0.4
81.03425	2.2
82.99434	0.4
82.99886	1.0
83.04984	0.7
84.08135	0.4
84.96049	0.5
85.02909	14.5
86.03239	0.9
86.99341	0.9
87.04455	1.7
89.03954	0.4
91.03941	1.3
91.05482	0.7
97.02898	6.8
97.06523	1.0
98.97588	7.1
99.04436	1.3
101.00887	7.7
102.96861	1.8
105.00348	1.1
109.01418	0.7
109.02883	1.8
110.97579	2.3
113.00870	1.3
115.02417	1.0
116.98634	2.4
117.03356	0.7
119.01924	10.4
119.04955	0.7
123.02845	0.5
123.04430	0.6
124.99110	0.5
125.05957	0.9
127.02409	3.0
127.03918	4.4
128.98616	2.1
131.00279	0.4
131.01903	4.0
133.03442	0.7
133.96854	0.4
134.99631	0.4
135.04388	0.7
136.07599	1.1
137.00887	0.8
137.02959	1.1
137.05962	0.9
139.02377	0.6
141.03995	2.5
143.00154	1.7
143.01900	7.3
143.05553	1.1
145.01672	0.8
145.03459	12.1
145.04950	4.8
146.99570	1.4
147.04370	2.5
149.02914	0.4
149.06001	0.7
155.01892	9.1
155.03137	0.7
156.02591	1.3
156.03735	0.4
157.03494	2.6
158.99677	2.7
159.05049	5.0
161.01260	1.2
161.02965	7.0
161.06580	1.3
161.08043	0.7
162.98962	0.7
163.02640	0.5
163.04445	2.8
165.00612	0.5
166.88994	0.3
167.01974	1.0
167.05559	1.5
169.03468	25.9
170.99660	1.1
171.04990	2.3
173.02968	9.1
175.04501	1.1
177.00714	1.3
177.05507	2.0
179.00438	0.4
179.01964	1.6
181.00006	0.7
181.04988	0.6
183.05121	1.8
185.01350	0.8
185.02968	3.9
185.06607	9.5
187.04529	100.0
188.04662	1.1
189.00694	1.2
189.06091	0.7
193.03572	0.6
195.05086	1.0
197.03008	2.6
197.06555	1.0
199.02930	0.6
199.04471	2.7
199.08113	0.5
201.00735	1.1
201.06067	2.1
203.02234	1.1
203.04027	4.8
203.07610	1.2
204.66145	0.5
205.03523	1.1
205.05591	2.2
207.01443	0.5
209.02838	0.4
210.06136	2.6
211.04420	1.8
213.06035	1.6
215.04063	0.5
215.07541	0.5
217.05502	1.7
219.01755	4.5
219.05165	0.5
221.03151	0.7
221.05057	10.9
223.01060	0.6
223.04564	4.7
227.04051	0.7
227.07576	0.4
229.05580	31.5
235.04526	3.3
237.02866	4.9
237.05284	0.7
239.10298	0.9
241.05550	1.3
243.01965	0.5
243.07219	3.8
245.05074	24.6
246.05678	1.8
247.04546	0.8
247.06714	4.6
253.05623	3.5
257.05057	1.5
259.06604	1.0
261.02829	1.7
261.08228	7.4
263.06265	0.9
263.11267	0.5
269.08655	2.4
271.06638	8.5
287.06650	0.4
287.09735	8.2
289.07709	17.1
291.07437	0.5
292.07156	1.3
293.12265	0.5
295.06903	1.1
307.08765	5.8
309.02405	0.4
313.07761	3.7
329.06287	0.6
331.08838	2.9
332.13422	0.7
338.07532	1.6
342.10516	0.5
347.08145	3.8
349.09866	0.7
353.10794	0.7
355.08771	23.9
367.08704	0.6
373.09485	0.5
379.09064	0.7
381.10321	17.9
389.61917	0.4
397.13620	2.0
399.11356	14.4
399.62598	0.5
400.12671	0.7
415.09235	3.0
416.09470	0.6
423.11334	0.9
427.11444	1.1
427.62964	0.5
428.11038	1.1
433.11459	1.6
439.14771	0.8
441.12573	10.4
451.12918	1.1
457.12088	1.1
495.17395	0.6
513.17950	0.9
543.19141	0.5
561.16364	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	560.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	15.3
55.05721	2.5
57.03431	4.7
57.07049	3.1
63.78994	2.6
63.87500	2.6
67.05500	22.2
69.03130	3.3
69.03429	32.3
69.07052	12.5
69.42262	23.5
71.04998	5.6
79.05466	9.0
81.07053	36.6
83.04967	4.6
83.08611	6.3
91.05482	16.0
93.07047	28.3
95.04967	26.9
95.08612	38.3
97.06538	8.6
97.10102	3.3
105.07039	22.0
107.04921	6.4
107.08612	35.5
109.10139	29.0
111.08074	5.6
117.06998	3.7
119.08585	35.5
121.10129	31.8
123.08046	6.0
123.11679	11.2
129.07010	5.1
131.08546	17.8
133.10138	22.1
135.11687	21.9
137.13297	3.2
141.09097	4.5
143.08553	9.3
143.98734	3.0
145.10120	20.1
147.11667	16.7
149.13304	13.2
151.11108	3.0
157.10150	14.5
159.11685	23.5
161.13261	44.7
163.14790	7.6
169.10092	7.4
171.11690	14.5
173.11948	2.7
173.13208	17.4
175.14763	15.4
179.14305	3.3
183.11722	6.3
185.13235	12.4
187.14827	19.5
189.16377	11.2
191.14299	4.1
197.13235	8.5
199.14798	10.5
201.16351	16.1
203.14398	4.0
209.13252	4.9
211.14810	11.9
213.16396	12.9
215.18008	11.2
225.16437	10.7
227.17940	11.2
229.15944	3.6
229.19452	16.8
237.16290	3.2
239.17876	6.7
241.19539	11.8
243.21053	16.8
247.20641	4.9
251.17726	3.3
255.21109	3.8
256.26324	5.8
267.21088	5.1
269.22568	4.1
277.19550	4.7
281.22647	3.9
285.22333	4.1
287.23624	3.5
295.24133	5.7
297.22281	5.3
297.25742	66.7
309.22293	4.5
311.23639	5.3
313.25214	10.9
315.26828	44.7
321.25531	3.4
339.26700	6.1
341.28320	3.4
347.27298	5.0
365.28500	29.9
383.29449	100.0
385.31253	4.0
419.33167	5.4
428.34958	5.1
437.34235	24.9
455.35062	32.3
500.40964	23.0
560.23981	4.1
560.43781	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	560.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97368	0.4
53.03940	0.6
55.05265	0.4
55.05511	5.0
57.03431	0.5
57.07077	17.9
65.03944	0.4
65.21133	0.3
67.05500	0.6
69.03417	1.7
69.56550	0.4
71.56255	0.7
73.02898	0.3
73.06550	0.7
79.05492	0.5
81.03422	1.9
81.07085	0.5
83.04974	1.0
85.02900	3.3
87.00812	1.2
91.05469	1.1
93.07030	0.5
97.02883	1.4
99.04462	0.7
105.01823	1.0
105.07030	0.6
109.02877	1.1
117.06996	0.5
119.08566	1.0
121.02887	1.8
123.90408	0.4
127.03936	1.7
129.07056	0.5
131.08591	0.9
133.10179	0.5
143.08586	0.5
145.04999	0.8
145.10112	0.8
146.91507	0.4
147.08095	0.4
149.02342	100.0
150.02702	0.4
155.08420	0.4
157.10187	0.4
159.02895	0.9
161.05984	1.6
165.91679	0.4
167.03439	1.1
171.11703	0.6
172.12041	0.5
175.07550	4.9
185.13284	0.5
203.07037	6.9
205.08592	9.4
213.12749	0.7
214.13022	0.5
221.08098	1.9
223.09663	0.8
258.72128	0.4
277.14346	42.7
295.15393	3.9
340.44855	0.4
363.21716	0.4
417.63907	0.4
422.20566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.2
54.86051	0.6
55.01887	1.4
55.05517	6.4
57.03444	1.0
58.06604	28.0
60.04532	2.0
63.84974	0.6
67.05509	6.5
69.03452	0.8
69.07076	2.6
69.17524	5.2
69.17929	1.3
71.04970	0.7
72.08160	1.1
79.05499	4.7
80.05804	0.6
80.37189	0.6
81.03410	3.4
81.07059	9.5
82.07391	0.7
83.04987	22.6
83.08632	1.6
83.13469	0.6
85.06538	0.9
91.05485	6.3
92.15352	0.5
93.07053	9.6
94.07423	0.7
95.04977	2.6
95.08604	9.6
96.08141	1.3
97.06546	2.9
97.10141	1.4
100.07623	6.1
101.09271	0.7
105.03393	1.0
105.07031	7.1
106.07352	0.6
107.04932	1.1
107.08604	7.2
109.06532	1.6
109.10144	5.1
110.09718	2.8
110.10421	0.9
111.04452	1.8
111.08086	5.0
111.35674	0.6
114.09180	1.7
117.07040	2.2
119.08595	8.1
120.08916	1.0
121.06480	1.2
121.10147	6.7
123.08039	0.8
123.11730	1.4
125.09670	0.8
128.06194	1.0
128.07054	0.6
129.07005	1.4
131.04918	0.6
131.08597	5.1
133.10143	5.5
135.08095	1.0
135.11713	3.2
137.09679	0.7
139.11218	0.8
142.07784	1.2
143.08577	3.0
145.06502	0.8
145.10117	6.7
146.10507	0.9
147.11707	5.4
149.09656	0.9
149.13243	1.7
152.10735	1.0
153.12750	1.3
155.08569	1.3
156.10300	1.2
157.10126	4.2
159.08144	1.1
159.11708	6.3
161.09584	0.7
161.13269	3.0
163.11232	2.0
163.14949	1.0
168.09328	0.7
169.10217	3.3
170.10709	0.7
171.11685	4.4
173.09653	0.9
173.13260	4.2
175.14856	1.0
181.10126	0.8
181.12294	1.3
183.07904	0.7
183.11713	3.2
185.13306	4.7
187.14835	2.7
195.11769	1.3
197.13313	2.4
199.14912	2.7
201.16371	1.6
203.14325	0.9
209.13306	0.8
211.14885	2.6
213.12509	0.7
213.16457	2.1
215.17979	0.7
223.14841	1.2
225.16422	1.8
227.12817	1.2
227.18021	2.0
237.16524	0.7
239.18124	1.3
241.19386	0.9
243.17500	1.0
245.19188	1.7
253.19548	1.4
257.18912	0.6
265.19699	0.7
267.15933	3.0
267.21008	1.0
279.21451	0.7
283.15515	2.3
291.19754	0.8
293.22824	0.9
301.16544	1.1
305.22903	0.7
307.24316	2.2
325.25436	0.9
394.25070	0.6
405.31433	0.9
468.34732	1.0
469.33105	12.9
486.34109	0.6
487.34445	0.8
493.27838	2.0
525.30383	0.9
528.36884	1.8
542.35376	3.1
560.39508	100.0
561.39795	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38644	2.6
51.02385	2.8
53.03940	8.5
55.01872	4.3
55.05519	28.3
57.03455	13.4
57.07081	3.4
60.89828	2.6
61.28744	2.9
65.03947	3.2
67.05508	99.9
69.07070	20.7
71.04644	5.3
77.03921	3.6
79.05499	100.0
79.05961	5.0
81.03409	11.5
81.07067	95.8
83.05000	17.5
83.08642	14.4
85.02893	3.5
85.06556	4.4
91.05486	77.7
93.06481	5.2
93.07054	95.9
95.04983	20.8
95.08049	4.5
95.08617	59.8
97.06516	6.8
97.10181	5.4
105.07034	57.3
107.04939	8.2
107.08613	38.8
109.06511	7.8
109.10162	19.3
111.08090	4.4
117.06994	13.8
119.08592	34.5
121.10150	19.5
123.08095	8.5
123.11736	4.6
128.06337	3.2
129.07010	16.3
131.08543	15.0
133.10118	14.8
135.11693	14.7
141.09097	3.7
143.08568	13.9
145.10149	17.3
147.11693	37.3
149.13257	7.2
157.10158	5.9
159.11696	7.4
161.09663	4.8
161.13284	13.5
163.11174	3.5
169.09975	2.9
171.11678	29.4
173.13261	6.9
189.12743	13.9
207.13838	29.7
261.22067	10.1
270.03683	2.9
279.15924	4.2
281.17487	49.8
317.24756	3.0
335.25818	67.8
473.61224	2.9
485.36517	3.9
541.38953	88.1
559.39502	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	560.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01870	0.8
57.03417	1.4
61.02914	1.1
65.03937	0.4
66.23333	0.4
67.05492	1.1
68.05000	0.5
69.03076	0.5
69.03429	5.2
70.06586	0.8
71.04967	0.6
71.22031	0.7
72.08166	1.9
73.02905	1.1
74.06067	0.9
80.30756	0.4
81.03398	1.4
81.07051	0.5
81.23395	0.4
81.37818	0.4
82.06562	1.1
83.06841	0.4
84.08147	0.7
85.02908	6.3
85.14025	0.4
86.06046	0.5
86.09703	0.9
87.04455	1.3
87.70512	0.4
97.02890	2.8
98.06056	0.4
99.04447	0.6
100.07611	0.9
109.02870	1.4
109.19946	0.4
127.03913	1.3
128.07028	0.4
134.04619	5.2
135.03052	0.4
145.04984	0.6
149.99997	0.5
152.05704	0.7
158.07082	0.6
165.02327	4.5
167.02603	0.7
175.09813	0.8
181.05478	1.3
182.04970	100.0
183.05240	0.7
183.06662	0.6
190.03079	0.5
194.04961	3.4
200.09340	1.8
201.10187	0.4
205.05449	4.2
209.00125	0.4
215.03781	0.5
216.04666	2.5
219.07074	1.5
221.08598	0.6
224.05994	1.5
231.07010	10.7
233.07224	0.5
234.08002	0.4
248.07579	0.5
248.09660	28.9
266.10721	57.2
267.10983	0.5
314.09073	0.6
344.10257	0.7
380.14130	0.9
398.14987	8.6
428.16010	48.3
429.16397	0.6
560.20245	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18436	4.3
53.03941	13.0
55.01869	6.8
55.05508	27.6
57.03434	14.3
67.05505	100.0
69.03410	4.9
69.07047	24.6
69.70013	3.9
71.04977	9.4
79.05061	6.4
79.05490	88.2
81.03414	12.8
81.07061	91.5
83.04984	15.1
83.08609	16.0
85.06547	8.7
91.05480	75.4
91.58678	4.1
93.07047	97.1
95.04969	22.5
95.08604	62.2
97.06512	12.2
97.10142	10.0
103.05446	23.7
105.07032	65.0
107.04953	8.9
107.08595	38.3
109.06509	7.5
109.10136	27.1
113.85291	4.1
117.07034	23.5
119.08582	38.5
121.10172	21.6
123.08024	4.6
123.11668	9.7
125.31569	4.1
129.07033	19.9
131.04936	59.3
131.08522	21.1
133.10144	24.8
135.08096	5.1
135.11722	19.5
143.08542	12.9
145.10147	28.0
147.08054	7.5
147.11697	44.2
149.13219	6.6
155.08626	7.0
157.10114	7.6
159.08121	4.8
159.11676	20.5
161.09650	12.4
161.13258	18.1
163.11143	5.8
169.10114	7.5
171.11678	40.1
173.09618	13.9
173.13290	11.9
177.12691	4.4
183.11705	5.7
185.13275	4.8
187.14841	6.0
189.12750	16.5
195.11688	5.1
201.16415	8.0
203.14439	6.5
207.13831	22.3
253.16228	4.7
261.22046	10.2
281.17496	50.2
285.22070	6.4
335.25821	60.2
341.24646	5.8
375.23047	19.3
383.29370	11.5
393.24002	12.9
411.25455	5.0
435.32690	6.2
469.32883	7.9
527.37396	27.0
541.39075	81.4
559.39905	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	559.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.8
53.03938	6.3
55.01867	5.6
55.05266	1.8
55.05516	30.7
57.03429	4.0
57.07065	3.6
61.74242	1.3
65.03949	2.7
67.05511	60.1
69.03429	5.1
69.07072	28.6
71.04993	5.8
71.08637	2.3
71.55285	2.3
77.03909	1.5
79.05496	42.6
81.03426	11.5
81.07062	59.4
83.04979	5.9
83.08619	22.8
85.06553	3.9
91.05483	40.8
91.05933	1.0
93.07052	46.2
95.04974	9.3
95.08612	42.3
96.74582	1.3
97.02901	2.9
97.06541	6.7
97.10175	22.3
99.00816	4.4
99.08063	1.5
103.05462	2.2
105.03394	2.0
105.07037	36.4
107.04970	6.9
107.08594	34.0
109.02885	4.0
109.06536	6.3
109.10151	22.1
111.04461	3.4
111.08064	5.3
111.11711	3.7
115.05491	2.0
117.07034	14.7
119.08585	25.2
121.06488	4.8
121.10150	22.5
123.04396	2.1
123.08057	4.3
123.11734	7.4
125.09640	13.4
128.06248	3.1
129.07013	7.3
131.08569	20.2
133.06500	3.4
133.10133	32.2
135.08089	4.8
135.11690	14.7
137.09639	3.8
137.13228	2.9
139.07550	2.0
139.11166	2.1
141.06975	1.6
143.08554	10.9
145.06512	2.4
145.10133	16.8
147.08052	3.5
147.11697	13.7
149.09647	3.3
149.13286	8.5
150.78766	1.4
151.11166	7.9
151.14879	1.5
153.09126	1.6
153.12773	2.5
155.08601	4.5
157.10132	9.2
159.08124	1.4
159.11720	12.2
161.09674	7.4
161.13292	8.4
161.41698	1.7
163.11160	3.0
165.12735	3.2
167.08633	2.7
169.10150	10.2
171.08058	2.4
171.11644	8.3
173.13266	6.3
175.11198	3.3
175.14818	2.8
179.10733	5.0
179.14342	2.1
181.10133	2.3
183.11751	8.2
185.13275	7.9
187.11200	3.0
187.14883	4.1
189.09148	4.2
189.11227	3.3
193.10303	2.0
195.11729	4.0
197.09735	1.7
197.13307	2.9
199.11198	1.8
199.14883	3.1
201.12805	2.1
207.10085	1.7
209.13332	2.9
211.14857	1.8
217.19588	6.0
221.13245	2.7
223.14958	1.5
225.11162	6.3
227.12866	4.2
231.17714	1.3
233.13185	1.6
235.15007	1.4
235.20570	11.3
239.17938	1.5
243.12190	2.2
243.21210	2.9
253.21648	15.3
257.18967	1.8
259.20490	2.0
261.22119	8.2
267.15906	1.9
271.22809	7.8
273.18579	3.7
275.20184	5.1
277.21722	2.8
281.13962	5.3
285.22110	1.6
287.23816	3.6
288.14487	1.5
291.19568	8.3
299.20007	1.4
315.23203	11.8
327.23267	1.6
357.22330	3.2
361.63919	1.8
375.23141	7.9
392.03418	1.4
393.23816	1.5
403.30090	2.0
421.31183	5.2
431.29453	1.5
433.39432	1.3
439.32187	5.5
449.30563	10.2
457.33368	3.6
467.31616	16.3
475.34357	2.1
485.32446	9.6
495.34760	3.1
513.35931	14.8
515.37750	1.4
523.34241	4.2
531.36743	13.0
541.35352	45.7
559.36346	100.0
588.99573	1.6
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
53.03941	10.9
55.01873	20.5
55.05513	53.2
57.03436	11.4
57.07083	5.6
57.73145	3.7
59.05013	5.7
65.03925	3.9
67.05506	76.4
69.03436	10.2
69.07071	41.6
71.04987	10.1
73.06557	3.7
79.05495	70.4
81.03414	41.7
81.07059	100.0
81.52360	3.4
83.04984	20.5
83.08617	28.8
85.02946	3.8
85.06540	8.3
91.05481	69.3
93.07041	70.8
95.04969	34.6
95.08605	60.4
97.06541	31.7
97.10169	32.8
98.20695	5.8
99.08102	6.0
102.81284	3.4
103.05495	4.3
105.03384	7.0
105.04545	3.2
105.07033	76.5
107.04984	18.7
107.08603	77.0
109.06535	17.6
109.10158	40.0
111.04448	3.6
111.08089	31.7
113.09678	5.0
117.07024	38.2
119.08586	69.5
121.06499	16.9
121.10155	41.9
123.08101	16.1
123.11720	15.2
125.09621	41.0
128.06201	8.0
129.06976	27.1
130.07791	6.0
131.04980	3.7
131.08562	52.1
133.06474	9.7
133.10133	48.6
135.08020	17.7
135.11682	15.9
137.09605	8.6
139.07597	16.7
141.07028	7.8
142.07782	9.0
143.08578	30.6
144.09349	4.1
145.06485	14.0
145.10118	64.2
147.08049	22.5
147.11702	43.1
149.09608	17.8
149.13237	9.9
151.11159	5.6
153.09210	6.5
155.08577	15.5
156.09285	7.4
157.06508	4.2
157.10135	48.7
159.08069	14.1
159.11720	49.4
161.09627	12.6
161.13246	21.6
163.07468	8.0
163.11211	17.4
163.14774	4.8
165.09155	6.1
167.08592	5.4
169.10114	27.0
170.10814	5.8
171.10347	4.6
171.11699	27.4
172.12054	4.7
173.09656	14.4
173.13306	25.5
175.11182	10.4
175.14810	7.4
177.12772	9.7
181.10231	7.8
182.10994	3.6
183.11679	32.0
184.12236	4.5
185.09589	4.6
185.13289	32.9
185.17714	3.7
187.11182	14.3
187.14813	15.3
189.11224	17.5
189.12778	8.8
191.14388	3.5
193.10237	5.8
193.12239	14.6
195.11754	16.2
197.09560	3.6
197.13289	20.2
199.11137	9.9
199.14861	26.9
201.12764	13.4
201.16423	10.9
203.14319	8.2
205.12363	4.2
207.11679	8.7
208.12578	4.4
209.13268	11.4
211.11307	4.5
211.14786	15.0
211.16495	3.5
213.12814	8.0
213.16393	11.8
215.14354	7.1
215.17921	3.6
217.15938	7.6
221.13289	5.7
223.11221	4.9
223.14873	15.5
225.16473	18.6
227.12692	24.8
227.17906	10.7
231.17352	3.6
233.13316	4.6
235.14824	11.1
237.16365	10.3
239.18031	12.4
243.17476	12.3
245.15300	7.0
249.14781	6.4
251.18117	6.1
253.15808	5.7
253.19545	6.4
255.17603	8.3
257.19009	9.1
261.18582	5.8
265.19479	9.7
267.15759	24.9
275.17557	5.0
275.20105	36.3
276.34198	3.5
279.21109	4.4
281.18997	4.0
291.21176	5.9
297.22131	10.4
299.16800	3.6
299.19928	20.0
309.22137	12.3
311.20178	5.0
311.23669	14.6
313.21677	7.3
315.23126	10.9
317.21255	10.4
323.23560	7.6
327.23126	13.0
329.24786	13.9
337.25250	9.3
341.24786	4.2
349.24210	19.0
355.26248	12.4
365.24774	10.3
367.26489	17.9
373.23892	8.0
383.25864	4.3
395.26178	3.9
397.22314	4.0
413.26862	64.7
421.31094	9.0
427.28513	8.7
431.29199	7.6
439.31851	6.3
443.27954	7.7
445.29510	8.0
447.27271	5.6
449.30490	19.9
459.27310	5.3
461.28824	5.0
467.31659	47.7
481.32755	6.9
485.32620	72.9
499.34128	8.8
523.34271	8.9
541.27014	6.7
541.35297	89.6
559.36469	82.9
576.95129	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	559.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.7
59.05008	3.5
60.96268	3.0
67.05505	11.7
69.03439	4.9
69.07057	8.9
69.18906	33.1
71.04984	8.9
73.06553	4.3
79.05479	12.6
81.07056	33.4
83.04965	4.1
83.08585	3.2
91.05491	12.7
93.07059	34.4
95.04979	5.3
95.08614	29.8
97.06537	25.8
99.08089	5.3
105.07034	28.4
107.08612	31.4
109.06506	3.5
109.10160	18.5
111.08080	24.2
113.09633	4.1
119.08580	34.3
121.06496	5.7
121.10130	23.2
123.08085	10.2
123.11723	6.1
125.09643	10.4
131.08597	15.7
133.10136	26.3
135.08041	6.1
135.11676	9.4
137.09634	7.8
139.07547	15.8
141.06989	4.7
142.07802	3.4
143.08556	19.3
145.10115	30.3
147.11694	23.6
149.09592	5.3
149.13280	9.0
155.08556	8.9
157.10109	27.6
159.11702	40.8
161.09679	4.6
161.13275	12.9
163.11212	9.4
163.14943	3.0
169.10129	19.5
171.10341	4.8
171.11661	21.9
173.13248	17.4
175.11232	6.0
175.14914	4.9
177.12762	6.2
179.39017	3.1
181.10201	6.6
183.11717	14.2
185.13274	28.3
187.11282	5.7
187.14818	17.1
189.12798	5.7
189.16389	5.1
191.14291	5.4
193.78458	2.9
195.11763	5.7
197.13269	14.2
199.14828	17.5
201.12778	7.4
201.16446	10.6
203.14279	6.8
207.11871	4.5
209.13329	12.3
211.14850	11.3
213.16400	11.0
215.14317	5.9
217.15933	8.1
221.13272	4.4
223.14845	10.5
225.16376	15.7
227.17920	7.7
229.15845	4.4
235.14912	6.3
237.16423	8.7
239.17975	5.0
241.19359	3.3
243.17354	18.8
249.16417	6.0
251.18045	7.8
253.19611	5.8
255.17412	4.9
261.18600	8.0
263.18082	7.9
265.19498	9.4
267.21115	4.1
269.19122	4.3
276.74091	3.2
279.20914	3.6
281.18988	6.3
291.21420	3.7
293.22614	3.6
305.22620	4.4
309.22131	13.3
311.23718	14.1
321.22266	3.1
323.23672	9.5
327.23218	14.9
329.24768	14.4
331.24329	4.5
337.25314	12.2
347.23651	4.1
349.25153	9.5
353.24838	3.5
355.26138	9.8
365.24680	3.9
367.26282	16.4
383.25995	7.0
385.27411	9.9
403.30026	4.0
409.31076	7.6
413.26901	68.8
421.31070	10.3
427.28293	7.5
431.29602	3.4
439.32358	7.6
443.28128	5.6
445.29694	7.1
449.30502	6.0
467.31702	36.3
481.33401	5.1
485.32599	100.0
499.34219	10.7
541.35315	5.7
559.36273	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	559.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.3
53.03937	4.6
55.01885	6.1
55.05516	11.9
57.03444	2.6
57.07071	2.8
62.61774	1.2
65.03924	2.0
67.05180	1.8
67.05512	27.8
69.03448	7.4
69.07076	15.9
69.31638	9.6
71.04990	2.6
77.03910	1.2
79.05504	25.9
81.02988	2.0
81.03427	23.2
81.07069	29.3
81.67116	1.4
83.04992	5.8
83.08624	7.4
85.06549	3.1
91.05489	33.3
93.07055	30.4
93.95792	1.1
95.04980	24.7
95.08614	21.5
97.02902	1.9
97.06544	11.4
97.10164	4.5
99.08087	1.8
103.04798	2.3
103.05483	42.2
105.03388	3.1
105.04521	2.6
105.06395	2.4
105.07048	32.5
107.04960	9.4
107.08604	25.8
109.06536	12.1
109.10168	12.5
111.08080	3.7
115.05452	3.8
116.06252	1.4
117.07028	13.9
119.04913	1.3
119.08589	27.5
121.06516	10.3
121.10162	15.4
123.08088	5.3
123.11708	2.6
125.09621	4.1
127.07493	1.4
128.06230	2.2
129.07050	6.7
130.07823	2.2
131.04942	100.0
131.08574	18.6
133.06506	5.8
133.09242	2.0
133.10146	23.9
135.08055	9.5
135.11696	6.6
137.09586	2.6
141.06963	3.8
142.07805	6.9
143.08574	16.1
144.07982	1.1
144.09322	1.5
145.06508	5.7
145.10127	20.1
147.08044	15.3
147.11697	12.0
149.09651	6.1
149.13249	5.1
151.11159	2.5
153.07022	1.8
155.08569	7.2
156.09381	7.4
156.10393	1.2
157.06451	1.6
157.10149	22.8
159.08070	15.4
159.11717	18.7
161.06012	1.4
161.09639	23.6
161.13249	3.0
163.07504	3.8
163.11182	4.1
165.07037	2.6
165.09119	2.4
167.08583	5.3
168.09340	2.6
169.10126	13.3
170.10904	4.6
171.08066	6.3
171.11702	22.9
172.08929	2.2
173.09654	21.1
173.13257	11.0
175.11194	12.8
175.14807	2.4
177.09149	1.6
177.12741	2.9
179.08554	5.5
180.09354	2.4
181.10107	6.6
182.10905	5.0
183.08127	1.9
183.11732	14.1
185.09732	6.0
185.13255	18.8
187.11290	7.6
187.14832	5.7
189.12750	3.4
191.08633	1.2
191.10764	1.8
193.10100	7.5
193.11926	1.6
194.10930	4.5
195.11717	12.0
196.12555	3.0
197.09619	3.1
197.13278	16.1
198.10429	1.2
199.11238	9.9
199.14879	6.2
201.12769	5.3
201.16441	3.0
203.14285	3.4
205.10126	2.1
206.10938	2.7
207.11691	6.9
208.08722	1.5
208.12509	5.7
209.13272	11.5
211.11127	3.3
211.14908	7.0
213.12741	12.0
213.16405	2.8
215.10747	2.9
215.14317	13.5
217.10271	1.6
217.12289	1.6
218.10919	1.3
219.11632	2.8
219.13788	1.3
220.12527	2.0
221.09470	2.4
221.13326	6.7
223.11148	3.1
223.14948	13.1
224.15488	1.6
225.12668	3.6
225.16370	4.9
227.12505	1.8
227.14557	2.3
227.17683	1.6
230.11075	1.7
231.11790	1.8
231.13815	8.9
233.13196	3.9
233.15344	2.1
234.13980	2.5
235.11182	1.5
235.14934	6.2
237.12726	1.6
237.16376	4.4
239.14349	2.6
239.18010	2.7
241.15919	2.7
241.19409	1.3
243.13828	2.3
245.13283	2.0
245.15491	2.9
249.12651	2.3
249.16397	4.1
251.14307	3.0
251.18024	6.6
251.43822	1.4
253.15810	5.4
253.19449	2.5
255.17412	1.5
259.14886	1.9
261.12799	2.5
261.16449	1.6
263.18030	6.2
265.15918	4.1
267.17578	4.3
269.19092	2.6
273.18549	3.6
275.14191	1.9
275.20114	5.3
277.15878	5.0
279.17462	4.6
279.20999	1.8
281.19049	8.1
289.19150	1.4
291.16650	1.6
291.19849	13.0
293.18890	3.4
297.18655	1.4
299.19992	3.0
305.15424	1.7
305.18826	3.5
307.17038	2.8
307.20532	3.5
315.17227	1.7
317.18930	12.6
321.22101	4.5
323.20206	7.5
325.17923	2.2
329.18896	2.2
331.20529	6.2
332.21545	1.8
333.18475	3.2
333.22040	2.7
335.19952	2.6
337.21609	1.7
341.21124	2.1
345.22137	9.8
347.23816	7.5
349.21262	6.0
357.22128	20.8
363.23074	5.5
365.24609	5.3
367.22626	3.6
375.23221	57.5
383.29294	5.1
393.24277	70.3
411.25433	7.7
432.38452	1.8
437.33978	1.6
446.50858	1.3
455.35501	2.3
467.31528	1.7
469.33224	3.5
485.32196	2.2
523.27728	3.4
541.27747	8.8
541.36505	11.1
559.30194	31.1
559.36621	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	559.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.5
55.05504	4.6
59.05001	5.1
67.05508	8.7
69.03430	63.4
69.07063	2.8
69.34332	0.9
70.07162	1.8
70.07534	4.2
71.01340	1.0
73.02923	1.8
74.99060	1.3
79.05488	7.0
81.03414	3.8
81.07056	9.4
83.04984	4.8
83.08593	1.8
84.08136	2.2
85.02909	3.7
87.00861	1.3
87.04472	42.5
87.67631	1.3
88.52064	1.0
89.02393	1.8
91.02151	1.4
91.05483	7.3
93.00092	1.5
93.07043	8.3
95.04971	9.5
95.08607	10.8
97.02912	1.1
97.06524	1.8
101.65173	1.0
102.98527	2.9
103.05421	1.4
105.07021	12.2
107.04975	3.7
107.08595	7.2
109.02879	1.3
109.06548	3.0
109.10139	3.6
111.04438	1.6
111.08059	1.4
113.32610	0.9
115.05470	1.7
117.00084	1.2
117.07035	4.1
119.01630	8.6
119.04953	2.2
119.08591	14.4
120.99564	24.5
121.06519	2.9
121.10144	5.9
123.08093	2.6
123.11739	2.1
127.03914	2.6
128.06259	2.3
129.06998	3.7
131.04942	2.3
131.08578	7.4
133.06511	10.1
133.10118	7.3
135.01100	1.6
135.08089	3.2
135.11685	2.7
137.05975	2.0
141.07008	2.4
142.07797	2.9
143.08572	8.2
144.09383	1.3
145.05025	1.4
145.06499	5.1
145.10150	7.7
147.08051	11.9
147.09120	1.8
147.11699	4.2
149.09637	6.3
149.13269	1.3
155.08585	4.7
156.09375	2.8
157.06450	1.3
157.10101	6.3
159.08081	3.4
159.11700	5.7
161.02750	1.9
161.05981	1.5
161.09624	3.2
161.13277	2.6
163.07603	2.2
163.11208	2.1
165.07034	2.8
165.09175	2.8
166.07834	2.3
167.07193	1.3
167.08536	2.1
167.10745	1.1
168.09300	1.5
169.10165	4.5
171.08070	4.1
171.11690	7.0
173.09633	4.3
173.13330	3.2
175.07524	2.5
175.11198	2.0
175.14774	1.6
177.16472	1.3
179.08517	1.7
180.09358	1.2
181.10117	4.0
182.10904	1.4
183.08092	3.3
183.11635	3.5
184.08870	1.4
185.09671	3.1
185.13278	2.1
187.07571	1.7
187.11176	2.5
187.14861	1.6
189.02220	1.9
189.16360	4.5
193.08559	1.8
193.10115	1.8
195.08031	1.1
195.11705	2.8
197.09764	2.1
199.11185	9.3
199.14822	1.9
201.09134	3.1
201.12791	1.5
201.16507	1.2
207.03223	34.0
207.11693	2.7
208.12335	1.3
209.09644	4.3
211.11230	2.9
211.14786	1.7
213.09187	1.5
217.08487	1.7
221.13290	2.5
225.04285	100.0
225.12637	2.2
226.13391	1.2
227.10677	13.0
229.12256	4.5
231.17355	1.7
232.12317	1.4
233.13388	1.4
241.12239	1.4
243.13812	2.0
249.12712	1.5
258.14136	1.3
259.13141	1.3
261.12473	1.3
281.22614	5.6
299.23676	10.2
303.10434	1.3
317.24768	18.5
375.19522	2.2
385.17657	1.4
393.20615	1.4
395.18555	1.4
397.30841	1.4
398.64828	1.2
403.19614	2.2
403.28445	33.2
421.20044	6.6
422.07065	1.2
439.21225	2.9
499.23267	2.6
515.22687	3.1
541.24219	8.9
559.26477	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	559.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.5
55.05504	4.6
59.05001	5.1
67.05508	8.7
69.03430	63.4
69.07063	2.8
69.34332	0.9
70.07162	1.8
70.07534	4.2
71.01340	1.0
73.02923	1.8
74.99060	1.3
79.05488	7.0
81.03414	3.8
81.07056	9.4
83.04984	4.8
83.08593	1.8
84.08136	2.2
85.02909	3.7
87.00861	1.3
87.04472	42.5
87.67631	1.3
88.52064	1.0
89.02393	1.8
91.02151	1.4
91.05483	7.3
93.00092	1.5
93.07043	8.3
95.04971	9.5
95.08607	10.8
97.02912	1.1
97.06524	1.8
101.65173	1.0
102.98527	2.9
103.05421	1.4
105.07021	12.2
107.04975	3.7
107.08595	7.2
109.02879	1.3
109.06548	3.0
109.10139	3.6
111.04438	1.6
111.08059	1.4
113.32610	0.9
115.05470	1.7
117.00084	1.2
117.07035	4.1
119.01630	8.6
119.04953	2.2
119.08591	14.4
120.99564	24.5
121.06519	2.9
121.10144	5.9
123.08093	2.6
123.11739	2.1
127.03914	2.6
128.06259	2.3
129.06998	3.7
131.04942	2.3
131.08578	7.4
133.06511	10.1
133.10118	7.3
135.01100	1.6
135.08089	3.2
135.11685	2.7
137.05975	2.0
141.07008	2.4
142.07797	2.9
143.08572	8.2
144.09383	1.3
145.05025	1.4
145.06499	5.1
145.10150	7.7
147.08051	11.9
147.09120	1.8
147.11699	4.2
149.09637	6.3
149.13269	1.3
155.08585	4.7
156.09375	2.8
157.06450	1.3
157.10101	6.3
159.08081	3.4
159.11700	5.7
161.02750	1.9
161.05981	1.5
161.09624	3.2
161.13277	2.6
163.07603	2.2
163.11208	2.1
165.07034	2.8
165.09175	2.8
166.07834	2.3
167.07193	1.3
167.08536	2.1
167.10745	1.1
168.09300	1.5
169.10165	4.5
171.08070	4.1
171.11690	7.0
173.09633	4.3
173.13330	3.2
175.07524	2.5
175.11198	2.0
175.14774	1.6
177.16472	1.3
179.08517	1.7
180.09358	1.2
181.10117	4.0
182.10904	1.4
183.08092	3.3
183.11635	3.5
184.08870	1.4
185.09671	3.1
185.13278	2.1
187.07571	1.7
187.11176	2.5
187.14861	1.6
189.02220	1.9
189.16360	4.5
193.08559	1.8
193.10115	1.8
195.08031	1.1
195.11705	2.8
197.09764	2.1
199.11185	9.3
199.14822	1.9
201.09134	3.1
201.12791	1.5
201.16507	1.2
207.03223	34.0
207.11693	2.7
208.12335	1.3
209.09644	4.3
211.11230	2.9
211.14786	1.7
213.09187	1.5
217.08487	1.7
221.13290	2.5
225.04285	100.0
225.12637	2.2
226.13391	1.2
227.10677	13.0
229.12256	4.5
231.17355	1.7
232.12317	1.4
233.13388	1.4
241.12239	1.4
243.13812	2.0
249.12712	1.5
258.14136	1.3
259.13141	1.3
261.12473	1.3
281.22614	5.6
299.23676	10.2
303.10434	1.3
317.24768	18.5
375.19522	2.2
385.17657	1.4
393.20615	1.4
395.18555	1.4
397.30841	1.4
398.64828	1.2
403.19614	2.2
403.28445	33.2
421.20044	6.6
422.07065	1.2
439.21225	2.9
499.23267	2.6
515.22687	3.1
541.24219	8.9
559.26477	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	559.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.5
55.01868	13.6
55.05511	37.0
67.05510	42.7
69.03436	43.4
69.07075	34.6
69.20584	54.0
71.04992	10.2
74.54991	6.2
79.05499	37.2
81.03433	27.3
81.07068	72.0
83.04984	53.0
83.08614	10.6
85.02914	48.9
85.06544	9.2
87.00820	19.8
91.05479	37.8
93.07043	44.5
95.01325	7.1
95.04975	37.8
95.08602	66.6
97.02874	13.0
97.06531	12.0
97.10191	10.2
98.21539	10.7
99.04469	6.4
99.08102	6.8
103.05508	6.7
105.01865	23.5
105.07031	55.6
107.04988	28.1
107.08597	29.0
109.02900	12.4
109.06506	25.4
109.10155	29.5
111.08101	8.6
111.11713	8.2
115.05463	11.2
116.06294	6.0
117.06947	12.6
119.08587	57.2
121.02828	8.7
121.06493	30.5
121.10155	20.3
121.70828	6.2
123.04419	11.6
123.08041	13.8
123.11716	13.9
125.09658	5.5
127.03941	28.0
128.06250	18.6
129.06989	24.5
131.08546	29.1
133.06493	22.5
133.10132	30.3
135.04367	10.5
135.08043	18.7
135.11694	8.2
137.09615	8.7
137.13234	12.2
141.07008	13.4
142.07857	14.4
143.08595	30.0
145.04935	7.9
145.06470	17.4
145.10112	31.7
147.08067	32.2
147.11702	13.8
149.05991	24.1
149.09608	12.0
149.13243	8.7
151.07640	10.6
151.14905	6.4
155.08527	26.3
156.09366	20.4
157.10124	46.7
159.04475	5.8
159.08064	36.3
159.11725	13.1
161.05991	23.6
161.09657	26.8
161.13347	8.6
163.07494	11.7
165.07016	8.4
165.09079	9.6
166.07820	7.5
167.08566	10.1
168.09357	10.5
169.06445	6.6
169.10077	29.4
170.10895	12.1
171.08041	20.5
171.11664	68.3
172.08795	12.6
173.06012	7.5
173.09647	43.9
173.13281	21.7
175.07564	13.8
175.11264	13.7
177.05502	16.6
177.09055	13.1
179.07010	17.0
179.08479	13.5
180.09386	8.0
181.10146	17.6
182.10934	7.8
183.08066	18.0
183.11647	46.5
184.08896	6.6
184.12505	7.0
185.09572	27.0
185.13254	30.1
186.10394	16.9
187.11171	18.4
187.14870	6.9
189.09164	8.0
191.07095	6.5
193.10220	9.8
194.10872	6.4
195.08104	12.7
195.11707	21.5
197.09613	46.5
197.13304	15.4
198.10442	16.1
199.11203	41.3
200.12007	10.8
201.09215	10.1
201.12758	51.1
203.10707	10.2
206.10924	7.8
207.11700	21.8
208.12312	6.1
209.09590	10.5
210.10493	10.2
211.11169	30.1
213.09146	13.9
213.12682	29.1
215.10666	22.3
215.14352	7.7
217.08379	7.8
217.12215	14.2
219.11792	9.2
220.12445	7.1
221.13289	15.9
223.11156	15.3
223.14813	8.1
225.09174	14.0
225.12749	29.0
226.09892	9.0
227.10672	17.9
227.14413	7.5
229.12241	15.7
231.04939	18.8
231.11769	9.6
231.13855	15.6
232.12422	7.8
233.13315	12.6
235.11307	11.7
235.14816	13.0
237.12691	10.8
239.14430	9.7
241.12263	100.0
243.10240	21.5
243.13922	35.3
246.14149	7.0
249.12750	11.5
249.16383	6.6
251.17940	11.7
253.12196	12.4
255.13744	14.6
258.14130	6.4
259.11105	8.5
259.13278	52.4
261.16345	15.9
264.58920	6.7
271.13177	7.1
277.14398	20.7
279.14014	8.7
279.17328	11.5
291.17340	6.6
293.15829	5.7
293.19000	15.2
297.14932	7.9
319.16797	16.3
321.18451	26.2
327.15900	56.2
337.18018	15.7
339.19641	29.4
343.15314	12.3
353.20593	8.2
355.19427	5.5
357.17209	9.3
359.16296	7.2
363.17960	10.1
375.19540	9.9
377.17288	12.8
393.20871	9.3
401.17755	11.6
419.18298	39.1
421.19864	10.8
437.19797	69.3
439.21039	7.5
455.20575	24.7
457.22049	10.0
505.22131	14.0
505.31213	6.9
523.23248	32.5
537.17249	5.7
541.24445	40.5
559.24799	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.01876	7.7
55.05514	20.2
57.36699	3.9
58.35375	4.4
60.09582	4.0
65.03949	4.4
67.05495	21.8
69.03425	12.3
69.07060	7.8
69.81470	24.0
79.05486	26.5
81.03413	11.6
81.07046	32.3
83.04995	26.1
83.08608	8.9
85.02893	15.0
87.00838	4.3
91.05487	47.9
93.07049	32.6
95.01279	4.7
95.04980	27.8
95.08604	25.5
97.02889	8.9
97.06544	11.3
103.05477	5.1
105.03400	8.1
105.07034	46.2
107.04942	11.4
107.08591	23.4
109.06518	21.8
109.10138	11.4
111.08139	3.9
115.05470	12.7
117.07037	17.5
119.04916	3.9
119.07793	7.0
119.08589	75.8
121.06504	14.7
121.10158	15.9
123.04466	4.1
123.08103	7.4
125.02374	4.5
125.05982	6.4
128.06207	9.8
129.06996	20.2
130.07845	4.1
131.04897	6.4
131.08600	31.7
133.06473	20.3
133.10161	24.2
135.08087	15.1
137.05956	7.5
139.03873	4.4
141.06966	9.5
142.07761	11.4
143.08591	24.2
145.06505	15.0
145.10124	28.0
147.08080	18.9
147.11694	5.6
149.09619	10.0
151.07507	7.0
153.06981	7.7
155.08594	17.4
156.09366	13.4
157.06526	7.1
157.10136	39.1
159.08107	17.2
159.11684	18.4
161.05988	15.0
161.09602	9.1
163.07542	8.7
165.07053	11.8
165.09103	6.5
167.08495	9.1
169.06479	5.9
169.10100	42.5
170.10898	7.0
171.08102	13.4
171.11707	44.1
172.08768	8.4
173.09630	14.4
173.13286	11.2
175.07582	9.0
175.11299	4.7
177.09114	8.9
178.07832	5.3
179.07095	6.4
179.08569	10.2
180.09293	7.4
181.10164	23.3
183.08015	9.4
183.11691	26.9
184.00356	4.4
185.09613	14.6
185.13315	21.7
187.07594	9.4
187.11205	8.2
189.09132	8.9
192.09276	7.0
193.10158	18.8
194.10977	5.7
195.11670	19.8
197.09575	10.2
197.13319	10.8
199.11179	44.9
201.08995	7.4
201.12787	13.0
205.10228	10.1
206.10997	12.9
207.11719	18.6
208.12471	9.8
209.09654	8.0
209.13251	20.6
211.11194	13.1
213.12814	16.8
215.10735	11.9
215.13972	4.1
217.10228	5.6
217.12202	6.2
218.10931	12.0
219.11729	14.5
220.12515	12.7
221.09677	6.0
221.13327	28.8
222.14165	4.7
223.11177	12.2
223.14857	14.4
224.11954	5.2
225.09200	5.4
225.12718	7.9
225.16417	7.0
227.10794	10.2
227.14421	6.8
229.10126	9.1
229.12306	11.2
230.10863	10.2
231.11682	15.4
231.13799	8.2
232.12492	9.8
233.13242	17.3
234.13831	7.5
235.11221	9.8
235.14824	22.1
237.12766	13.7
237.16438	22.3
238.17204	5.2
243.11676	12.9
243.13881	7.7
244.12563	14.1
245.13307	17.8
246.14011	11.7
247.11330	5.3
247.14819	18.7
249.12799	10.0
249.16588	5.5
251.10773	5.8
251.14256	9.4
253.15929	10.8
256.12418	6.3
257.13428	9.8
258.14050	12.2
259.14719	15.0
260.15652	6.4
261.12827	7.9
261.16409	12.2
263.10489	3.9
263.14410	10.0
263.17908	6.1
265.15839	12.1
270.13779	6.8
271.14749	11.7
272.15616	9.0
273.16324	11.2
274.17258	8.9
275.14441	5.1
275.17703	5.8
283.14847	8.5
284.15698	5.0
285.16394	11.2
287.14294	7.2
289.15970	4.7
291.13840	6.1
293.15491	7.6
296.15714	8.4
299.14240	5.4
301.15869	4.7
301.19479	8.9
303.17474	4.4
311.17474	8.3
319.13156	5.6
321.18561	7.1
328.14642	5.7
329.19095	19.8
331.16940	11.7
333.18387	7.3
342.15970	6.4
343.16913	5.5
347.16272	7.5
347.20038	24.1
349.18079	8.0
357.18439	67.0
359.16388	9.6
361.18198	11.7
365.21082	11.9
373.17838	7.8
375.19522	100.0
377.17352	16.4
385.17984	22.7
391.19144	5.2
393.20618	42.5
395.18213	4.8
403.19058	43.4
421.20166	57.6
435.22400	5.2
439.21234	22.7
463.21191	9.1
481.22076	14.2
499.23169	9.4
541.24011	14.2
559.23639	8.2
559.36578	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	558.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01866	1.7
55.05511	11.7
57.03450	11.6
57.07085	25.0
67.05505	17.0
69.03420	2.5
69.07064	7.3
70.21247	5.9
71.04995	3.1
71.08642	17.0
79.05487	10.4
81.03428	41.4
81.07064	18.9
83.04979	8.6
83.08205	2.0
83.08625	20.4
85.02908	13.6
85.10175	8.9
88.06053	1.3
89.05996	2.9
91.05489	18.8
93.07045	7.6
95.04981	14.4
95.08614	16.0
97.02876	1.7
97.10151	6.2
105.07041	11.0
107.04953	3.0
107.08566	4.3
107.80118	1.6
109.06476	1.8
109.10161	8.6
111.04486	2.4
111.07375	1.5
111.08064	7.0
119.08585	10.8
121.10187	7.4
123.08084	1.5
123.11712	2.5
129.06982	6.1
129.44197	1.5
131.08553	8.3
131.20068	1.5
133.06462	2.1
133.10138	5.1
137.09651	1.7
147.08017	2.7
147.11676	6.7
149.09633	3.7
157.10095	6.6
175.11218	9.0
193.12274	28.3
206.33765	1.3
211.13310	49.0
267.15985	8.4
285.16986	33.8
313.27380	53.2
392.66226	1.6
505.38666	7.5
523.39972	100.0
558.22070	3.3
558.44757	1.8
558.53284	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	558.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08971	3.8
54.58574	3.0
55.05516	18.1
57.03437	12.8
57.07076	37.5
64.40193	3.7
67.05508	28.1
69.01208	2.9
69.03400	3.9
69.07063	14.9
69.47218	3.1
70.06562	3.4
71.04985	4.3
71.08632	26.8
71.55838	4.1
79.05499	20.7
81.03421	43.5
81.03871	4.7
81.07059	34.7
83.04983	18.1
83.08611	25.5
85.02906	14.2
85.10172	11.1
89.06050	7.8
91.05486	31.2
93.07043	16.7
95.04960	18.9
95.08605	21.1
97.10172	6.9
105.07040	17.5
107.08604	5.2
109.06519	4.3
109.10152	10.4
111.08078	7.4
113.58896	3.7
119.08571	13.3
121.10147	10.6
123.11687	4.9
129.07030	6.8
131.08571	12.4
133.08595	5.9
133.10132	10.4
147.11705	8.0
149.09624	4.3
157.10179	14.5
173.73079	3.5
175.11189	13.3
177.11418	4.0
193.12234	38.1
211.13307	63.9
212.74750	3.5
217.53134	4.2
220.79648	3.3
239.23825	3.9
251.47272	3.8
267.15857	18.4
285.16925	68.7
301.29291	5.1
311.25787	4.6
313.27393	100.0
337.41956	4.4
492.37143	3.4
505.38721	12.5
523.39972	92.1
558.43591	4.5
558.53510	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	558.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.05500	6.3
57.05975	2.0
57.07073	3.2
64.31628	1.7
67.05205	2.3
67.05512	17.5
69.03439	27.3
69.07067	8.0
69.65991	4.1
69.66399	8.4
71.74940	2.0
79.05495	7.3
81.03416	2.3
81.07065	17.8
83.04965	3.8
83.08620	6.5
85.06570	2.3
91.05474	8.6
93.07058	13.9
95.04969	23.6
95.08617	29.5
95.38616	1.7
97.06542	5.0
97.10168	4.0
98.02380	1.8
99.08093	4.6
104.39680	1.8
105.07050	17.2
107.04959	4.8
107.08611	16.5
109.06602	3.7
109.10175	18.6
113.09646	1.8
117.07040	3.6
119.08587	18.3
121.10143	19.2
123.08071	6.7
123.11742	10.4
125.09639	3.4
128.60776	2.0
129.06989	2.4
131.08591	11.2
133.10168	12.6
135.08113	4.6
135.11723	9.0
137.09602	3.8
141.09096	3.8
143.08551	7.3
145.10152	13.8
147.11696	10.6
149.09599	2.9
149.13220	4.3
151.11285	2.7
155.08588	2.4
157.10103	9.2
159.11757	13.6
161.09650	3.6
161.13263	23.2
163.11235	3.4
163.14900	3.2
169.10139	6.6
171.11642	9.0
173.13240	11.5
175.11102	2.2
175.14851	4.9
177.12814	3.8
181.10095	2.8
183.11707	8.4
185.13248	11.5
187.14893	10.1
189.16447	4.5
191.14296	2.1
195.11646	2.5
197.13312	5.1
199.14935	8.8
201.16423	5.3
203.14328	2.0
209.13246	2.4
211.14827	5.7
213.16434	5.4
215.18163	2.4
217.15944	3.1
221.13356	1.9
225.16389	8.5
227.17896	9.9
231.17537	2.8
232.91487	2.0
235.15076	2.1
239.17929	4.4
243.72398	1.8
245.19070	13.0
249.16568	2.5
251.17995	2.5
253.19572	4.2
255.17450	2.2
257.19061	4.5
259.20706	4.7
265.19632	2.5
271.20569	3.6
281.19003	2.3
283.20554	5.1
285.22562	1.8
295.20914	3.4
295.24228	9.4
297.22028	3.1
311.23618	11.5
313.25259	45.5
337.25381	8.8
339.26883	5.4
351.26785	5.8
363.26883	12.7
381.27927	100.0
383.29221	2.1
426.33362	2.7
435.32819	8.8
453.33719	19.0
498.39767	10.3
558.41687	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	558.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73594	0.7
55.01870	1.2
55.05502	2.2
57.03416	1.8
58.41391	0.7
61.02911	1.1
62.06075	2.1
64.24802	0.7
64.90896	0.8
65.03925	1.1
66.17834	0.8
67.04261	3.9
67.05495	1.4
69.03091	0.7
69.03429	8.5
69.07055	3.0
69.07410	0.6
70.06586	1.5
71.04976	3.1
71.56068	1.2
72.08157	1.1
77.87880	0.7
79.05479	3.1
80.02048	0.6
80.05041	0.8
81.03430	3.5
81.07046	2.5
81.51241	0.7
82.06584	61.1
82.64143	0.7
83.04989	6.5
83.31752	0.8
85.02918	8.4
86.09702	1.7
87.04423	0.7
88.03986	2.6
91.05480	4.3
93.07034	2.4
95.04955	2.1
95.08591	1.4
97.02886	2.5
97.06539	5.6
98.06072	2.2
99.80212	0.8
100.07626	19.1
101.06003	0.9
105.07035	15.5
105.45925	0.8
107.04961	1.3
107.08596	4.4
109.02873	1.7
109.06518	2.2
109.10148	1.0
116.07055	0.9
117.07009	1.8
119.04908	1.5
119.08578	2.5
121.06531	5.4
123.08126	1.3
125.05994	8.6
127.03902	2.7
128.07086	58.8
129.07016	1.3
130.07843	1.3
131.08583	2.5
133.06487	3.4
133.10121	1.2
135.04445	0.8
135.08040	1.0
137.05995	9.2
138.06302	3.3
139.06560	1.6
143.07076	2.7
143.08574	1.6
144.06566	6.9
145.06493	1.7
145.10124	13.8
146.07124	1.3
146.08151	10.5
147.08031	1.3
147.11703	1.0
151.07573	8.0
152.07884	2.4
155.08508	0.8
158.07257	1.5
159.11714	4.7
161.13309	0.9
163.11143	1.2
169.10126	1.1
173.09625	5.2
177.09132	0.9
177.12766	1.7
178.09412	0.9
187.11154	8.5
191.10704	2.4
193.12424	0.7
197.09669	1.2
205.12312	4.6
215.10695	4.3
230.74905	0.8
233.11659	1.5
285.16937	1.5
309.14883	0.8
310.15085	0.7
311.15317	1.4
341.17374	1.3
343.18048	1.8
348.12921	0.9
378.19080	1.3
396.20187	100.0
423.66098	0.7
558.25281	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	558.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.05513	4.8
56.05042	0.7
58.06604	29.9
60.04536	2.4
67.05508	2.8
69.03461	0.9
69.07072	1.7
71.04994	0.4
72.08150	1.6
79.05511	2.1
81.03409	0.6
81.07064	3.5
83.04986	24.3
83.08640	0.6
88.07650	0.6
91.05499	2.8
93.07042	5.5
95.04967	1.0
95.08609	4.7
96.08127	2.0
97.06540	1.8
97.10236	0.4
98.21637	0.8
100.07632	6.6
105.07025	3.4
106.08222	0.4
107.05070	0.4
107.08582	3.7
109.06535	1.0
109.10173	2.1
110.09680	2.9
111.08077	5.4
113.09676	0.4
114.09193	3.0
117.07033	1.1
117.67535	0.4
119.08595	4.5
121.06506	0.9
121.10149	3.4
123.08125	1.3
125.09657	1.2
129.07014	1.1
131.08563	2.5
133.10126	3.7
135.08098	1.1
135.11722	1.1
137.09650	1.1
138.09213	0.6
138.66202	0.4
139.11186	0.8
142.07770	0.5
143.08583	1.9
144.09299	0.5
145.10144	3.8
147.08066	1.0
147.11708	1.7
149.09676	0.6
149.13301	0.5
151.11188	0.6
155.08508	1.0
156.10257	1.5
157.10141	3.1
159.08037	0.5
159.11679	5.1
161.09630	1.4
161.13313	1.4
163.07646	0.4
163.11249	0.7
169.10147	1.6
171.11703	3.1
173.09743	0.5
173.13272	2.5
175.11235	1.1
175.14877	0.9
179.14362	0.5
181.10143	0.8
182.10944	0.4
183.11722	3.5
185.13304	2.9
186.48944	0.4
187.11316	1.2
187.14870	1.4
189.12825	0.4
189.16544	0.5
195.11754	1.6
197.13228	1.9
199.11253	0.5
199.14836	1.9
201.12799	1.1
201.16422	0.8
203.14378	0.5
207.11922	0.5
209.13310	1.6
211.14848	1.8
213.12801	0.6
213.16348	1.2
215.14336	0.6
217.16064	0.5
221.13304	0.6
223.14905	1.0
225.16476	2.0
227.14384	0.7
227.18034	1.3
229.15872	0.5
237.16293	1.0
239.18011	1.6
241.15862	0.9
243.17494	1.5
249.16490	0.9
251.18010	0.9
252.96651	0.4
253.19534	0.7
255.17438	0.8
257.19040	0.7
265.19583	0.6
269.18958	0.7
305.22754	0.4
309.22266	0.9
311.23792	0.6
319.24271	0.5
323.23859	1.0
334.75858	0.4
335.23627	0.4
341.24887	0.7
354.49869	0.6
394.24579	0.4
408.32574	0.7
409.30994	0.4
413.26846	0.5
421.31406	0.7
425.55759	0.5
436.32077	1.1
450.33182	0.5
454.26822	0.4
454.33423	0.7
466.33191	0.6
467.31680	12.4
468.35181	1.1
484.34473	0.7
484.41879	0.4
498.35562	0.6
526.35461	1.7
528.36975	5.1
540.36450	1.6
558.37933	100.0
559.38300	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54794	0.7
53.03948	2.2
55.01868	1.8
55.05515	3.0
57.03437	1.9
59.04681	0.8
61.02927	2.1
61.95188	0.7
65.03950	0.9
67.04260	6.7
67.05501	1.2
69.03435	14.0
69.07066	5.3
69.68079	0.7
69.76089	0.7
70.06594	1.3
71.04990	2.8
71.54867	1.2
73.02926	1.6
73.16192	0.6
74.60866	0.8
77.57204	0.7
78.22865	0.7
79.05515	4.2
80.05010	1.2
81.03430	3.6
81.07066	3.5
82.06586	100.0
83.04993	9.7
83.07354	1.9
85.02911	14.3
86.09720	1.0
87.04467	1.5
88.04002	2.0
89.36720	0.7
91.03967	1.1
91.05481	4.9
93.07054	6.1
95.04983	3.2
95.08587	1.5
97.02893	5.1
97.06534	9.1
100.07630	19.6
103.59833	0.8
104.58939	0.8
105.07040	13.1
107.04964	1.7
107.08600	4.1
108.23849	0.8
109.02892	2.4
109.06513	3.3
110.77115	0.8
116.07050	0.9
117.07047	1.6
119.04957	1.2
119.08589	2.7
121.06510	9.1
123.08070	0.7
125.05996	18.5
127.03925	3.0
128.07092	70.7
129.07030	1.1
130.07770	1.1
131.08582	2.7
133.06482	3.9
133.10136	1.1
133.32416	0.8
135.08099	1.0
135.11632	1.0
137.06039	2.4
143.07047	8.9
143.08582	2.0
144.09416	1.3
145.04948	1.4
145.06514	2.7
145.10126	14.3
146.08151	3.4
147.08051	1.1
147.11691	1.1
149.05984	1.1
151.07574	3.2
155.08562	1.2
158.07329	2.9
159.08080	2.1
159.11681	5.9
163.11211	2.4
165.09129	1.1
169.10152	1.8
172.08885	1.7
173.09636	17.3
173.11020	1.3
175.11256	0.7
177.12854	1.6
187.11208	11.7
187.12802	1.0
189.12740	1.1
191.10677	4.4
197.09662	2.8
205.12245	9.3
215.10727	10.9
233.11644	7.2
251.12886	1.7
294.59534	0.7
396.20197	91.3
419.22498	0.8
558.25555	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3112
Annotation	(-)-Euphomine
Peak:m/z	Relative Intensity
53.03954	4.5
55.01881	2.2
55.05506	3.5
58.78999	1.8
67.05508	10.4
69.03423	7.3
69.07069	3.8
70.79339	5.1
79.05493	13.2
80.05836	1.6
81.03426	28.9
81.07047	9.4
83.04965	3.6
91.05492	17.0
93.07047	13.3
95.04977	20.8
95.08617	14.1
97.06516	2.4
98.21460	2.2
103.05465	2.2
105.07038	15.7
107.04941	5.2
107.08600	15.3
109.06535	5.6
109.10161	5.2
111.08060	2.2
115.05463	2.1
117.07019	5.1
119.08592	15.8
121.06505	6.4
121.10172	5.1
123.08104	2.4
128.06233	4.1
129.06998	6.0
131.04939	12.7
131.08585	13.2
133.06491	6.0
133.10149	11.5
135.08037	10.9
137.09595	2.4
141.07007	3.7
142.07788	8.5
143.08548	15.3
143.16403	1.6
145.06473	3.3
145.10138	19.8
147.08067	7.0
147.11681	5.7
153.07002	5.0
154.07774	4.2
155.08533	10.6
156.09375	5.8
157.10150	25.7
159.08095	7.0
159.11710	7.0
161.09595	16.8
163.11191	3.7
165.07004	3.4
167.08585	4.4
168.09354	6.0
169.10139	100.0
170.10936	4.8
171.08044	3.1
171.11690	21.7
173.09644	19.5
173.13292	6.4
175.11195	20.9
179.08539	4.2
180.09372	2.4
181.10130	9.3
182.10988	4.1
183.11708	95.5
184.26161	1.7
185.09633	3.7
185.13266	11.3
187.11200	7.4
189.12741	8.1
193.10124	5.5
194.10930	5.3
195.11708	20.3
197.13316	11.3
199.11201	14.6
199.14912	3.3
201.12764	5.4
206.10977	2.5
207.11761	7.4
209.13248	15.1
211.14911	5.0
213.12772	5.9
215.14320	2.2
219.11700	2.1
220.12456	3.5
221.13199	7.6
223.14777	12.7
225.12814	3.3
227.14297	1.9
231.08025	1.9
231.11597	2.5
231.13768	2.7
233.13303	4.3
234.14107	2.2
235.14885	6.6
236.15405	2.0
237.16449	6.9
239.14178	2.3
245.13342	2.7
247.14848	3.7
249.12744	2.4
249.16420	2.8
251.14069	2.2
251.17969	4.6
253.15968	2.9
262.13397	2.3
263.17981	5.4
267.17310	3.4
277.15988	3.2
277.19513	10.3
279.17444	1.9
281.19028	2.2
289.15961	2.0
291.17419	5.8
293.18976	7.7
303.17392	2.1
307.20566	4.6
317.19055	10.7
319.20587	6.9
321.22153	6.2
331.20532	7.0
333.18439	3.7
333.22125	3.3
335.20230	3.4
345.22122	34.0
347.23694	8.3
349.21713	15.8
357.22134	14.0
363.23172	14.9
375.23264	34.5
393.24249	33.8
411.25198	7.1
467.89914	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	557.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01632	1.3
55.01878	17.3
55.05515	7.5
57.03445	1.8
58.84360	1.2
65.03930	2.3
67.05512	12.1
68.14430	1.2
69.03420	5.1
69.07067	4.7
74.82463	1.1
79.05499	16.2
81.03416	20.0
81.07067	15.6
83.04984	2.9
83.08618	2.3
91.05484	29.0
93.07049	10.1
95.01306	3.2
95.04990	11.4
95.08621	16.8
95.37949	1.2
97.06525	1.5
97.10155	2.3
98.21547	2.2
99.10754	1.1
103.05445	2.1
105.07032	18.2
107.04959	8.7
107.08581	9.6
109.06514	4.2
109.10162	4.1
111.08132	1.0
115.05459	6.6
116.06180	1.8
117.07030	12.6
119.04916	2.4
119.07793	2.3
119.08588	27.7
121.06494	3.6
121.10152	3.7
123.08070	2.9
123.11699	1.3
125.09595	1.9
128.06218	4.5
129.07008	20.6
130.07753	1.8
131.04918	2.9
131.08578	14.9
133.06451	2.9
133.10146	16.1
135.08046	4.7
141.06956	4.1
142.07768	6.4
143.08582	17.4
144.05687	1.4
144.09329	1.5
145.06480	9.0
145.10155	9.6
146.07266	1.5
147.08057	100.0
147.11653	2.3
149.09627	14.5
151.11133	2.0
153.06937	1.1
155.08559	6.7
156.09360	14.6
157.10144	26.3
158.07275	1.4
159.08066	26.5
159.11696	14.8
161.05986	1.4
161.09627	21.7
161.13216	1.5
163.07529	6.2
163.11182	4.3
165.07007	1.4
166.07794	1.3
167.07008	1.4
167.08539	2.7
168.09344	3.0
169.10159	11.5
170.10904	10.7
171.08002	4.6
171.11696	76.3
172.08739	1.4
173.05962	4.3
173.09595	7.8
173.13243	6.8
175.07559	10.3
175.11156	4.9
177.09146	1.5
179.08623	2.8
179.10524	1.6
180.09412	1.8
181.10121	3.7
182.10846	1.2
183.08028	2.3
183.11696	30.3
184.12277	1.7
185.09612	5.0
185.13268	55.8
187.11185	5.0
189.09167	3.3
192.11188	1.1
193.10126	3.7
193.12177	1.7
194.10971	1.2
195.11710	5.5
197.09618	4.9
197.13264	5.2
199.07481	1.7
199.11209	10.2
201.09103	2.7
201.12743	3.1
203.10675	1.9
203.14340	1.5
205.12187	2.7
206.10797	1.3
207.11729	4.4
208.12338	1.3
209.09631	3.9
209.13234	4.4
211.11171	7.6
211.14816	2.7
213.12727	11.4
215.10608	2.3
217.10216	2.2
217.12238	3.1
219.13811	1.7
220.12509	1.7
221.09648	1.3
221.13271	4.7
223.11182	4.0
223.14760	1.9
225.12740	3.4
227.10651	1.5
229.12190	3.2
231.13739	8.1
233.09686	1.6
233.13426	2.1
233.15421	4.1
234.13986	2.5
235.11182	2.1
235.14871	2.0
237.12703	3.1
237.16473	1.5
239.14252	3.7
241.12262	5.7
243.11656	1.4
243.13835	12.8
245.15388	48.8
246.10504	1.4
247.16960	2.6
249.12642	2.5
251.10458	1.7
251.14285	2.5
253.14320	4.6
255.13805	3.6
257.11639	1.9
257.15488	2.2
259.13293	4.5
261.12866	2.9
262.13593	1.7
263.14124	2.1
263.16516	2.3
271.13361	4.9
273.14963	7.9
273.18439	2.0
275.14209	2.1
277.16010	2.4
283.17023	1.7
287.20178	2.6
289.14178	6.8
291.16083	3.1
291.19550	3.2
297.12766	1.5
301.15961	2.0
302.16537	1.8
303.17508	1.4
313.15488	1.3
315.17462	2.3
317.18982	5.9
319.17056	1.4
323.16156	1.6
327.17383	4.3
329.18976	1.9
331.15387	3.9
331.20584	3.4
341.18951	3.8
345.18466	4.9
359.20047	7.7
361.21674	1.6
363.19382	1.8
369.18054	1.7
375.19470	3.3
377.20975	3.3
379.18777	1.8
387.19690	6.8
389.21219	3.5
391.22662	10.7
401.21048	6.9
405.20520	3.6
407.22263	7.0
419.22217	24.9
437.23291	12.3
465.30060	1.6
479.24109	3.4
483.30826	2.3
539.26251	10.4
539.33643	4.6
557.27557	2.2
557.34979	21.9
565.16223	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.4
55.01874	19.6
55.05507	6.0
57.03422	1.9
65.03951	2.0
67.05494	9.0
69.03429	6.8
69.07074	6.0
69.23821	10.1
69.24248	8.8
76.87823	1.9
79.05507	13.9
81.03414	15.2
81.06659	2.0
81.07053	13.7
83.04987	7.3
91.04967	3.7
91.05488	47.7
93.07040	14.9
95.04974	9.3
95.08601	9.5
97.06548	2.6
103.05466	5.6
105.03387	5.0
105.07049	27.7
107.04980	11.8
107.08582	11.7
109.06521	6.8
113.06044	2.7
115.05464	13.2
116.06271	4.2
117.07023	28.9
119.08591	38.6
121.06522	4.4
121.10154	7.8
123.08102	3.4
125.09642	2.2
128.06248	10.2
129.07005	30.3
130.07782	6.5
130.48543	2.3
131.04944	8.6
131.08585	27.4
132.05656	3.0
133.06482	6.9
133.10143	21.7
135.08070	12.8
138.63535	2.2
141.06998	8.6
142.07808	13.1
143.08598	23.8
144.09306	2.2
145.06471	19.7
145.10133	24.1
147.08054	100.0
147.11723	4.3
149.09653	12.0
153.07001	2.9
154.07829	3.1
155.06036	2.4
155.08585	11.4
156.09352	16.6
157.10156	45.5
158.07315	4.2
159.08075	45.7
159.11707	28.9
161.05986	5.7
161.09633	36.4
163.07550	55.5
163.11192	5.4
165.06931	3.5
165.09207	2.2
166.07832	2.8
167.08633	3.3
168.09303	3.8
169.10146	20.4
170.10944	11.1
171.08087	9.8
171.11710	70.7
173.05998	8.6
173.09621	28.7
173.13286	11.7
175.07576	28.5
175.11256	5.9
179.08560	4.7
179.10751	3.4
180.09402	3.3
181.10144	10.6
182.07288	2.1
182.10979	3.7
183.11696	47.7
184.08887	2.6
185.09660	15.4
185.13274	55.1
186.10277	3.4
187.07561	4.9
187.11148	9.4
189.09128	6.8
189.12744	4.4
192.09418	2.5
193.10162	5.3
195.11801	11.9
196.08928	2.1
197.09680	10.3
197.13281	14.2
198.10495	3.6
199.11211	19.8
201.09128	9.4
201.12709	12.2
203.10661	5.5
205.12115	4.3
206.11029	2.6
207.11757	7.9
209.09592	2.6
209.13268	5.1
211.11191	7.6
213.09204	2.5
213.12738	39.3
215.10718	4.2
217.10307	3.1
217.12292	8.2
219.11674	6.0
221.13336	6.2
223.11296	8.2
223.14772	3.9
225.09283	2.4
225.12778	6.5
227.10648	5.2
229.12286	9.0
230.10898	2.5
231.11739	4.9
231.13747	9.9
233.13425	3.5
233.15427	7.7
234.10474	3.3
234.13988	2.8
235.11356	3.6
235.14932	3.8
237.12737	3.7
241.12141	12.6
243.13898	4.7
245.15392	28.7
247.11269	3.3
247.14914	4.2
249.12811	4.5
249.16327	4.0
251.14326	4.8
253.12193	2.5
255.13861	7.2
257.13116	2.7
257.15479	3.7
259.10956	2.8
259.13223	13.0
261.12619	3.8
263.16492	8.8
265.15988	2.7
269.13135	3.5
270.14270	2.9
272.12091	4.1
272.15341	2.6
273.14865	18.3
275.14374	4.0
276.15005	2.3
283.11188	3.2
284.11917	2.2
285.12747	4.8
287.14328	4.7
289.15927	3.3
291.16046	3.1
297.12579	2.4
299.14371	5.5
300.15170	3.1
301.15924	5.8
311.14105	3.6
312.15234	4.7
313.15927	3.9
315.14056	2.5
315.17487	8.9
317.15698	2.7
317.19083	7.3
326.16739	2.9
327.17343	11.0
329.19107	3.6
331.20453	4.9
333.18280	4.8
341.18860	10.2
345.18512	9.3
357.18362	5.2
359.20026	6.8
369.18488	3.5
379.18726	3.3
387.19687	11.8
389.21085	10.7
391.22589	7.9
401.21097	12.0
405.20645	4.1
407.22131	7.6
409.23666	2.7
419.22360	33.7
437.23264	8.4
479.23947	5.5
521.07349	2.1
521.39758	2.2
525.24689	8.7
539.26160	6.7
547.61157	2.4
557.27063	7.9
557.35107	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	557.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.01871	18.4
55.05504	6.2
57.03437	1.5
65.03938	3.1
67.05503	9.3
69.03416	4.3
69.07071	4.1
69.87402	5.5
69.87807	3.4
79.05495	18.8
81.03426	14.9
81.07055	9.1
82.25306	1.4
82.91428	1.3
83.04975	4.5
83.08596	2.9
91.05485	45.9
93.07043	14.7
95.01302	2.1
95.04984	11.6
95.08602	7.4
97.06515	2.5
103.05464	6.0
104.06232	1.8
105.03391	2.7
105.04511	1.8
105.07034	29.9
107.04976	9.3
107.08607	12.2
109.06501	5.4
109.10151	3.1
115.03931	1.5
115.05451	12.3
116.06261	5.8
117.07017	22.6
119.04979	2.6
119.08588	40.2
121.06493	6.4
121.10133	5.7
127.47772	1.6
128.06218	10.9
129.07011	31.8
130.07782	2.9
131.04918	4.4
131.08577	27.7
131.23392	1.3
132.05757	1.9
133.06483	6.0
133.10135	24.8
135.08092	8.3
137.09558	2.0
141.06990	6.1
142.07770	9.3
143.08551	23.9
144.05705	2.5
145.06494	22.3
145.10115	23.0
146.07249	2.5
147.08054	100.0
147.11668	3.3
149.09608	10.9
153.06960	2.8
154.07719	1.7
155.08569	9.1
156.09363	13.6
157.06456	3.1
157.10147	36.9
158.07265	3.0
159.08070	41.7
159.11687	31.2
161.05962	2.6
161.09630	33.3
161.13272	2.4
163.07544	63.5
163.11197	5.2
165.06999	3.0
167.08569	4.0
168.09361	2.6
169.10130	16.6
170.10857	11.4
171.08138	7.6
171.11688	61.2
172.08838	2.4
173.05946	5.8
173.09630	24.8
173.13229	11.0
175.07570	26.8
175.11218	7.3
177.09142	2.4
179.08572	4.6
179.10664	2.0
180.09293	2.0
181.10141	7.0
182.10924	2.9
183.08124	4.2
183.11697	33.8
184.08876	2.0
184.12323	1.8
185.09615	14.9
185.13264	49.3
187.07536	4.8
187.11162	11.6
189.09116	4.8
189.12784	2.6
191.10715	2.0
193.10115	4.3
195.11681	8.2
197.09676	7.5
197.13269	10.3
198.10371	4.1
199.07553	2.6
199.11188	17.6
200.11929	2.1
201.09065	9.7
201.12717	9.3
203.10663	4.3
203.14345	3.2
205.12279	4.3
206.10912	2.6
207.11696	5.3
209.09596	4.2
209.13275	3.3
211.11235	7.9
213.12750	29.8
215.10675	4.9
215.14264	3.5
217.10278	2.7
217.12212	3.9
219.13795	1.8
220.12425	2.6
221.09663	2.2
221.13268	4.5
223.09235	1.5
223.11200	6.7
223.14742	2.9
225.09047	1.7
225.12773	4.1
227.10696	3.8
229.10219	2.3
229.12250	8.8
231.13773	7.9
233.11462	1.8
233.15306	8.7
235.11194	3.3
235.14879	3.2
237.12813	4.6
239.10783	2.1
239.14345	1.6
241.10091	2.5
241.12227	11.3
243.11650	2.3
243.13882	8.0
244.12465	2.7
245.13274	2.5
245.15395	30.9
246.10387	1.7
247.11136	3.0
247.14900	3.1
249.12738	2.4
251.14326	2.7
251.17921	1.6
253.14255	1.8
255.13838	9.3
256.12589	2.0
257.15469	3.4
258.13937	1.9
259.13055	8.8
260.12033	1.7
261.12540	3.3
262.13589	2.0
263.16455	5.4
271.15018	2.1
273.12387	3.2
273.14859	21.5
274.13501	3.1
275.14069	3.3
283.14575	2.0
285.12689	2.1
286.13330	2.4
287.14359	4.0
291.16003	3.6
297.12714	2.7
299.14166	3.2
300.14954	1.7
301.15732	3.1
302.07092	1.6
303.14044	2.0
303.17432	2.2
305.19269	1.7
311.14267	3.3
312.14865	3.6
313.15875	4.4
315.17328	7.4
317.15549	1.7
317.18839	6.9
326.16727	1.9
327.17352	10.4
328.18158	1.9
329.15414	2.5
329.18942	2.7
331.16888	2.2
331.20609	3.2
333.18451	4.7
341.18900	6.0
345.18546	12.8
357.18423	5.9
359.20163	10.5
363.19580	2.4
369.18301	5.9
375.19443	4.8
377.21289	1.8
387.19525	12.0
389.21384	7.7
391.22601	7.1
401.21109	15.6
403.21701	1.6
405.20496	3.2
407.21921	9.4
409.23459	1.9
419.22217	28.8
437.23346	8.0
465.22501	2.4
479.24438	10.6
497.24023	2.2
497.61060	1.5
525.24756	14.5
539.26428	8.0
539.33545	2.6
557.27167	6.7
557.35260	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	557.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16480	2.3
53.03943	4.0
53.10892	1.8
55.01875	19.0
55.05508	6.3
67.05495	5.6
69.03437	4.0
69.07072	5.7
70.47791	4.7
70.48159	4.2
79.05497	18.1
81.03425	14.7
81.07063	10.2
81.94518	2.3
83.04978	7.7
91.05483	42.3
93.07047	13.0
95.04982	11.1
95.08607	8.4
97.06516	3.3
103.05480	6.4
105.03407	14.0
105.07027	23.3
107.04950	9.7
107.08570	11.3
109.06507	7.6
109.10197	3.2
111.90383	2.1
115.05479	13.2
116.06248	3.1
117.07031	23.6
119.04958	3.4
119.08586	41.9
121.06515	5.2
121.10152	4.3
123.08128	3.0
124.46110	2.5
128.06232	10.5
129.07013	25.1
130.07854	2.7
131.04918	4.5
131.08589	25.4
132.05708	3.1
133.06464	7.3
133.10143	22.9
135.08032	7.8
141.07021	5.4
142.07819	10.2
143.08571	19.7
144.05685	3.0
144.09326	4.2
145.06493	23.6
145.10130	23.3
146.07291	3.2
147.08057	100.0
147.09233	5.2
147.11720	3.9
149.09622	11.4
153.07063	3.9
154.07716	3.4
155.08545	12.4
156.09337	15.9
157.06535	3.9
157.10153	42.4
158.07373	3.4
159.08066	39.7
159.11687	29.2
161.05998	4.2
161.09653	35.7
161.13176	3.0
163.06294	3.8
163.07556	51.7
163.11191	6.9
165.07008	4.6
167.08577	6.6
168.09222	2.8
169.10135	19.4
170.10951	11.3
171.08078	9.0
171.11702	62.1
173.06003	6.3
173.09615	29.2
173.13257	7.9
175.07593	23.9
175.11188	6.0
177.09126	3.8
178.07732	2.9
179.06944	2.1
179.08549	3.0
180.09264	2.7
181.10173	7.7
182.10890	3.1
183.08058	5.0
183.11714	39.9
184.08871	2.4
185.09697	14.4
185.13280	49.0
187.07635	3.6
187.11145	10.9
189.09122	6.2
189.12784	5.8
193.10173	6.4
194.11026	3.4
195.11751	13.4
197.09625	9.3
197.13287	13.5
198.10402	3.6
199.07562	2.2
199.11163	18.7
201.09099	6.9
201.12750	6.3
203.10677	3.2
203.14427	3.6
205.12292	5.6
206.10849	2.8
207.11737	6.7
209.09637	4.5
209.13286	3.8
211.11226	7.1
213.09329	2.9
213.12756	35.4
215.10767	4.8
215.14331	4.3
217.12323	6.2
219.11693	3.7
221.13217	5.0
223.11150	7.9
225.12714	9.3
227.10736	3.6
229.10205	3.2
229.12260	8.8
230.10777	3.2
231.11781	4.2
231.13713	12.6
233.13406	2.9
233.15414	9.5
235.14841	4.3
237.12755	4.6
237.16449	2.9
241.12216	13.3
243.13829	8.8
244.12367	4.2
245.13188	3.3
245.15387	29.4
247.11153	4.3
247.15012	3.1
249.12741	4.2
255.13751	8.8
257.15610	3.5
259.13321	8.1
263.14087	2.5
263.16473	6.6
269.13272	2.5
271.14740	2.9
273.12357	3.6
273.14948	16.7
275.14374	3.8
285.12674	2.7
285.16077	3.1
287.14264	6.2
289.15649	2.8
291.16101	2.6
297.12723	3.4
298.13818	2.5
299.14288	3.0
301.15897	4.8
303.17389	3.3
311.14087	2.6
312.14853	2.7
313.15738	3.2
315.17407	7.7
317.19028	6.6
327.17572	13.9
329.15259	2.7
329.18951	4.2
331.16864	3.5
331.20563	2.6
333.18536	4.1
341.19077	6.2
345.18753	10.1
347.19919	2.4
357.18451	6.1
359.16135	2.5
359.20105	6.7
369.18558	4.3
375.19583	5.9
377.21011	3.4
379.22977	2.9
387.19519	13.0
389.21127	8.2
391.22879	5.6
401.21359	15.3
405.20407	6.9
407.22183	8.0
419.17426	2.1
419.22543	22.7
437.23080	9.3
479.24530	4.3
525.25171	13.6
539.26196	8.4
557.24170	19.9
557.34991	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	557.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53141	3.4
54.84211	3.5
55.01868	7.0
55.05508	21.8
57.05928	3.5
67.05505	15.0
69.03429	13.7
69.07056	13.3
70.06570	3.9
70.83054	3.4
71.05012	7.0
71.55915	6.2
79.05495	31.1
81.03410	11.6
81.07069	20.7
83.01357	7.2
83.04981	34.9
83.08576	4.4
85.02921	8.2
91.05476	39.9
93.07053	32.4
95.04981	17.4
95.08601	21.9
97.06523	4.9
97.10177	3.5
99.04456	4.4
100.81662	3.9
103.05461	11.9
105.03362	4.6
105.07033	56.5
107.04955	11.9
107.08598	26.6
109.06517	12.3
109.10139	10.3
111.04423	8.4
111.17974	3.8
112.64156	4.3
115.05466	13.2
117.07032	20.7
119.08576	55.4
121.02843	4.7
121.06507	14.6
121.10149	10.6
123.04440	5.1
123.08051	5.7
125.06013	6.2
128.06230	11.8
129.07039	18.6
131.04903	10.2
131.08559	31.4
133.06497	20.6
133.10158	35.8
135.08098	19.2
139.53981	3.8
141.06969	7.5
142.07784	16.3
143.08595	36.0
145.06468	21.9
145.10141	24.6
145.46860	4.0
147.04504	4.6
147.08051	20.7
147.11732	7.1
149.09634	17.7
151.07635	5.4
153.06944	6.6
155.08537	15.8
156.09320	19.3
157.10121	63.1
159.08073	24.4
159.11697	57.4
161.06012	31.0
161.09627	23.4
161.13332	4.6
163.07561	38.6
163.11185	9.1
165.06987	5.4
165.09119	5.2
167.08604	6.3
168.09349	6.4
169.10104	35.8
170.10893	10.7
171.08022	20.3
171.11685	73.7
172.08842	5.9
172.12128	3.9
173.09583	25.6
173.13297	17.2
175.07503	18.9
175.11241	6.7
177.09142	21.4
179.07057	8.8
179.08533	9.0
179.10600	5.4
180.09320	6.2
181.10114	13.5
183.08060	11.8
183.11693	77.5
184.08876	6.2
185.09711	20.5
185.13287	55.8
187.11197	23.9
187.14854	4.9
189.05481	12.9
189.09103	20.9
189.12680	7.5
191.07057	6.0
191.10670	6.2
192.09337	5.3
193.10139	12.0
194.11005	5.5
195.11665	24.1
196.12547	5.0
197.09663	13.5
197.13254	15.4
198.10361	5.2
199.11201	26.5
200.11763	4.8
201.09125	9.2
201.12746	18.4
203.10603	8.8
204.09325	5.9
205.10175	5.2
206.10988	6.6
207.11743	16.9
208.12419	8.6
209.09636	6.4
209.13228	5.8
211.11157	16.9
213.09229	8.2
213.12753	64.9
215.10692	17.1
217.10185	9.1
217.12233	8.2
218.10944	4.8
219.11729	9.0
220.12537	5.6
221.13268	17.1
223.11223	10.2
223.14801	6.9
225.08876	4.3
225.12656	7.8
227.10724	5.6
229.10265	4.6
229.12273	11.7
231.09972	7.2
231.11909	6.0
231.13823	29.8
231.38338	3.7
232.12457	6.0
233.09586	6.1
233.13216	12.1
233.15364	12.5
234.14050	6.2
235.11189	4.7
235.14920	7.2
236.11942	4.4
237.12732	6.3
237.16362	5.7
239.10757	5.8
241.12256	12.4
243.09885	4.9
243.13835	11.6
244.12422	7.3
245.13211	10.5
245.15527	10.1
246.14055	6.3
247.14885	14.8
248.15797	4.8
249.12810	5.7
249.16339	14.1
251.14169	4.2
253.12296	4.0
255.13852	5.3
257.13361	5.0
258.14063	5.6
259.13162	7.9
260.15924	4.8
263.14163	4.6
270.14056	4.6
271.14548	5.7
273.14813	31.9
275.13928	3.7
289.15634	4.4
291.15930	8.9
293.15082	4.9
297.18582	5.2
299.17667	4.4
301.15884	5.2
303.13843	5.6
303.17261	5.7
305.15308	5.2
309.18405	4.1
315.17294	4.8
319.16940	5.1
321.18451	10.3
331.16776	19.9
333.18463	14.9
343.16791	7.4
345.18515	17.1
347.20178	5.7
349.18073	11.5
355.16940	4.7
357.18677	11.1
359.16049	5.3
361.17844	14.4
363.19730	9.3
367.18781	5.8
373.17679	17.7
375.19318	24.3
377.17245	6.1
379.19080	8.3
389.17020	5.7
391.18939	12.9
393.20419	9.8
403.19006	20.9
405.20422	14.9
407.22183	5.8
409.20013	9.3
417.20605	6.4
419.18442	10.9
421.20120	33.0
423.21616	7.4
435.21863	12.6
437.19519	5.7
439.21127	21.7
441.22772	4.9
451.21146	7.7
453.22632	10.1
457.22205	16.1
459.27359	9.8
471.23083	5.7
490.13498	5.0
497.24789	6.4
525.25067	9.0
539.26404	11.7
557.27197	100.0
557.35431	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	557.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02626	3.2
53.03936	5.1
55.01855	10.2
55.05518	16.6
57.03436	3.5
59.07798	2.6
65.03934	9.9
67.05516	33.2
69.03435	17.0
69.07056	9.5
70.06591	15.3
71.04984	4.9
79.05508	18.9
81.03419	17.5
81.07053	20.7
82.56989	3.7
83.04984	27.8
85.02896	12.6
85.06531	4.8
91.05489	31.6
93.03421	22.8
93.07047	22.5
95.01328	4.5
95.04980	71.1
95.08616	15.5
97.02914	26.1
97.06499	9.0
99.04437	3.6
103.05430	7.4
105.07039	45.1
107.04945	8.6
107.08619	20.9
109.02866	5.1
109.06551	16.3
109.10123	5.6
115.05390	7.0
117.07019	26.3
118.97164	3.1
119.04955	7.3
119.08598	28.5
120.87566	2.8
121.02882	100.0
121.06481	19.4
121.10130	8.9
123.04430	4.7
123.08022	5.5
127.03914	5.9
128.06207	10.8
129.06999	13.9
131.04976	7.3
131.08582	24.3
132.05734	3.4
133.06509	18.4
133.10133	17.9
135.08067	21.2
137.05945	7.2
139.03850	7.6
141.07016	6.8
142.07777	14.8
143.08578	27.7
145.06505	18.3
145.10126	17.8
147.08049	29.3
147.11710	4.9
149.05995	8.4
149.09619	12.9
151.07547	5.3
153.07045	4.9
155.08603	21.5
156.09346	9.2
157.06485	6.0
157.10130	27.7
158.07236	4.3
159.08078	25.3
159.11684	13.0
161.06006	20.7
161.09601	14.4
163.07559	51.8
165.06984	6.7
166.07729	5.0
167.08513	7.3
169.10139	26.0
170.10880	7.5
171.08052	13.7
171.11694	28.9
172.08775	5.0
173.05940	5.9
173.09686	20.8
173.13348	4.0
175.07582	16.8
175.11119	6.6
177.09079	5.3
179.07091	4.5
179.08557	9.5
180.09290	3.7
181.10114	13.8
182.10838	5.8
183.08061	12.1
183.11740	25.1
185.09631	21.8
185.13234	14.0
187.07503	7.7
187.11179	13.5
189.09081	5.8
193.08633	4.4
193.10107	15.6
194.10754	7.9
195.08095	7.7
195.11618	14.7
196.08847	6.9
197.09644	27.8
197.13255	10.7
199.07520	8.4
199.11131	20.0
201.09120	10.6
201.12755	8.4
203.06993	4.2
203.10638	5.6
205.10106	4.7
206.10936	6.3
207.11674	11.8
208.08864	3.4
208.12473	4.0
209.09587	13.7
209.13304	14.7
210.10449	4.7
211.07668	4.2
211.11256	21.4
211.14748	3.4
213.09059	16.9
213.12656	18.4
215.10602	20.0
216.09296	4.4
217.10217	8.0
217.12186	7.9
218.10817	5.1
219.11803	5.5
220.08943	4.8
220.12344	4.5
221.09608	9.6
221.13211	11.7
222.10553	5.5
223.11195	15.8
223.14790	11.0
224.11823	4.7
225.09169	8.6
225.12756	14.7
227.10713	10.5
227.14349	5.5
229.08536	4.3
229.12325	7.1
230.11028	3.9
231.11916	4.1
231.13808	5.6
233.09601	7.1
233.13222	9.7
235.11169	9.6
235.14812	5.1
236.11841	5.7
237.09090	4.2
237.12723	20.2
239.10635	9.3
239.14328	7.0
241.12233	8.8
242.10841	3.9
243.09933	5.8
243.11952	4.8
243.13882	6.0
245.13353	7.6
246.10431	7.6
247.11165	7.3
247.15059	4.8
249.08951	4.9
249.12750	12.9
251.10651	6.5
251.14279	22.1
253.12292	14.9
253.15871	4.8
255.10132	7.8
256.12561	4.5
260.12189	4.7
260.15289	3.6
261.10776	17.3
263.10699	4.7
263.14273	6.5
265.12277	7.4
267.13846	6.6
269.15448	15.2
271.13367	6.8
273.12616	3.9
275.14209	3.1
277.12067	5.5
277.15665	3.7
279.13867	19.4
281.11682	5.2
281.15298	7.8
283.10806	4.8
285.12659	3.5
287.14340	5.5
289.12180	4.4
289.15964	6.6
291.13708	5.5
291.26755	3.5
295.13382	4.0
297.14944	13.8
301.15927	6.4
303.13889	6.1
303.17227	5.4
307.13300	10.0
312.14932	4.0
313.15848	4.5
315.13480	4.9
315.17371	3.9
317.15424	5.0
319.13263	8.3
325.14499	22.4
327.17294	6.5
329.15524	3.8
331.17014	7.1
333.14850	5.7
333.18524	6.0
335.16315	8.0
341.15131	5.5
345.14847	6.5
345.18549	10.7
347.16382	10.9
349.18079	9.5
355.16833	9.5
357.14670	4.7
359.16364	10.0
361.17932	4.6
365.13547	4.0
365.17496	8.5
371.16211	4.1
373.17935	23.0
375.19727	6.3
377.17468	23.7
383.16388	5.0
389.17453	9.1
391.18997	30.4
393.16504	7.1
401.17572	31.3
407.18137	6.2
409.20029	14.9
419.18497	68.2
421.19925	5.5
437.19623	67.6
439.21051	4.9
441.18912	7.7
451.21039	8.3
453.18823	4.1
455.20938	6.2
461.19437	6.3
469.22043	9.9
479.20618	17.8
497.21317	19.9
515.22241	5.2
557.23962	42.7
557.33173	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.01860	8.1
55.05515	15.7
65.03940	4.7
67.05508	15.1
68.99789	2.0
69.03425	8.8
69.07066	7.0
77.46066	1.6
79.05500	21.0
81.03413	5.5
81.07056	16.5
83.01318	1.9
83.04993	18.2
83.08601	3.1
85.02868	2.2
91.05483	39.9
93.07040	25.0
95.04963	16.4
95.08615	13.7
97.06522	6.8
103.05453	17.1
105.03403	4.8
105.07034	63.3
107.04946	8.2
107.08593	21.2
109.02877	2.6
109.06519	9.9
109.10154	8.7
111.08064	3.0
115.05457	9.3
116.06244	5.1
117.07018	19.8
119.04987	12.1
119.08592	66.8
119.09467	3.3
121.02873	2.9
121.06516	11.4
121.10147	15.9
123.08037	4.6
125.02338	2.7
128.06223	16.0
129.07019	18.3
130.07751	4.5
131.04950	21.6
131.08578	37.2
133.06490	26.2
133.10130	51.0
135.04375	2.0
135.08061	12.2
135.11742	2.4
137.06004	3.5
137.09599	3.5
141.06987	8.5
142.07764	18.3
143.08568	39.2
143.98456	1.8
144.09351	4.1
145.06487	17.2
145.10135	27.4
147.04390	2.1
147.08052	23.6
147.11687	6.2
149.05977	7.1
149.09644	17.0
152.06197	3.1
153.06993	8.5
154.07787	5.5
155.08548	23.2
156.09349	29.2
157.06503	8.7
157.08942	3.6
157.10138	53.6
158.07266	3.0
158.10765	3.0
159.04442	11.0
159.08070	27.4
159.11714	27.0
161.05995	40.8
161.09639	25.3
163.07489	10.6
163.11197	2.6
165.05704	1.8
165.07011	9.8
165.09160	2.2
166.07755	4.8
167.08595	11.6
168.09325	7.4
169.06499	5.2
169.10127	39.2
170.07365	2.6
170.10918	18.7
171.04419	2.3
171.08043	13.5
171.11688	97.3
172.08855	3.9
172.12285	3.3
173.06050	9.5
173.09637	21.6
173.13304	12.2
173.14525	1.8
175.07584	12.5
175.11240	9.3
177.05513	5.5
177.09094	9.8
178.07816	3.6
179.07019	5.7
179.08574	12.3
179.10686	2.4
180.09329	4.7
181.06496	2.6
181.10144	11.5
182.07275	3.8
182.10872	5.4
183.08098	16.3
183.11700	67.0
184.08798	6.0
184.12279	3.8
185.06018	4.0
185.09598	21.9
185.13268	51.2
186.10216	2.5
187.03864	6.1
187.07610	9.6
187.11154	15.8
187.14812	4.2
189.05481	15.6
189.09113	4.9
189.12767	5.7
190.07750	2.2
191.06993	4.3
191.08589	2.4
191.10683	5.5
192.09331	5.6
193.08615	4.0
193.10161	11.5
194.07149	2.4
194.10843	3.5
195.08046	13.3
195.11726	15.7
196.08824	4.0
197.09590	18.5
197.13283	12.9
198.10365	5.3
199.07549	5.9
199.11203	26.2
200.11971	5.7
201.05464	4.3
201.09148	7.0
201.12772	8.9
203.06979	5.4
203.08757	3.3
203.10663	7.0
203.14337	1.9
205.04982	6.1
205.10170	6.2
206.10857	6.4
207.06427	3.1
207.11752	19.3
208.08792	3.2
208.12480	6.7
209.09715	9.6
209.13240	9.1
210.10368	3.1
210.13982	2.3
211.07614	9.9
211.11162	17.3
211.14818	4.9
213.05568	2.4
213.09154	13.3
213.12744	33.3
215.06969	4.1
215.08792	4.0
215.10698	9.0
215.14381	3.4
216.09360	4.4
217.08508	7.5
217.10162	8.0
217.12236	5.3
218.10866	4.8
219.08189	3.1
219.11679	8.3
220.12401	6.5
221.09636	4.0
221.13300	15.7
222.10269	4.0
222.14020	3.7
223.07574	2.7
223.11171	10.0
223.14769	5.8
224.11903	2.6
225.09038	5.7
225.12846	9.4
226.13539	5.8
227.07031	3.5
227.10683	4.7
229.08263	3.6
229.10121	9.4
229.12268	16.4
230.10924	8.1
231.08273	2.3
231.11693	11.1
231.13754	38.5
232.12494	7.0
233.09561	4.5
233.13277	8.4
234.14069	3.8
235.11104	7.9
235.14825	7.2
236.12000	2.5
236.15619	2.7
237.09286	2.5
237.12737	6.0
239.07005	7.5
239.10716	4.5
239.14247	2.6
240.09267	2.5
241.08549	7.8
241.12207	10.5
242.10948	4.5
243.11879	11.5
243.13828	3.2
244.12437	7.7
245.13524	13.7
246.10431	5.2
246.13998	6.4
247.11136	6.2
247.14818	6.9
249.12695	8.5
249.16476	3.5
250.13443	3.3
251.10809	5.3
251.14264	5.9
253.08461	4.4
254.10852	2.9
255.11649	8.8
256.12515	8.0
257.07785	2.6
257.13626	14.1
258.10345	2.6
258.13998	9.3
259.09308	3.0
259.10898	4.2
259.13379	17.2
259.15228	6.1
260.11832	3.4
260.15656	3.5
261.12820	11.2
261.16351	6.1
263.14258	5.4
263.17834	2.0
265.12366	5.1
266.10965	2.4
267.06558	8.4
267.11670	6.6
268.12485	6.6
269.09668	2.9
269.13229	12.2
270.10352	2.5
270.14035	8.3
271.11136	7.9
271.14758	13.6
272.11990	4.7
272.15585	5.8
273.12958	11.4
273.16010	10.0
274.13385	3.9
275.14322	5.8
275.17957	4.8
277.11996	3.2
277.15628	2.1
279.14117	2.7
281.13159	4.8
282.10593	2.2
282.14056	4.6
283.11118	9.5
283.14807	7.1
284.11945	5.9
284.15518	5.6
285.07596	18.9
285.13092	9.7
285.16049	10.2
286.13437	6.7
286.17093	5.1
287.11093	2.4
287.14270	11.1
287.17764	4.1
288.11694	2.5
288.15021	4.8
289.12183	7.2
289.15857	7.4
289.19208	2.6
291.13779	3.6
291.17203	2.8
294.13837	2.9
295.14777	3.0
296.15417	2.5
297.12692	9.6
297.16351	8.3
298.13580	6.3
299.10901	3.6
299.14252	11.5
299.17947	7.3
300.11646	3.9
300.15048	5.9
301.12241	7.2
301.15836	14.5
301.19229	3.8
302.13043	2.1
302.16455	3.5
303.13687	6.5
303.17392	6.2
305.15344	4.7
305.18817	2.5
309.12796	2.8
309.16324	3.4
311.10928	2.9
311.14264	8.6
311.17651	3.0
312.15060	6.4
313.12115	5.5
313.15829	10.3
314.13177	2.7
314.16660	3.4
315.13721	11.1
315.17407	9.6
316.10901	2.8
316.14471	4.0
317.11841	4.7
317.15372	7.3
317.18970	5.3
319.13135	3.8
319.16785	6.3
321.14935	2.7
324.15427	3.0
325.12268	3.2
325.15961	5.9
327.13885	3.8
327.17426	17.3
328.14658	4.0
329.11758	3.6
329.15295	15.1
329.19000	7.0
330.16174	3.5
331.13443	3.5
331.16919	16.8
333.14807	3.8
333.18430	4.8
335.12726	3.2
335.16345	3.4
340.14487	6.5
341.11661	4.1
341.15308	8.0
342.15939	2.7
343.13150	5.7
343.16943	11.5
345.14828	3.8
345.18527	25.5
347.16327	14.7
347.20166	6.3
349.18137	10.1
353.15350	6.5
355.17001	16.7
357.14691	4.1
357.18549	8.5
358.15631	6.2
359.12790	2.7
359.16415	17.8
360.17291	2.5
361.14243	6.6
361.18185	10.9
363.19623	9.1
368.13788	2.2
371.16483	22.8
373.18005	45.4
375.19656	12.9
377.17548	16.1
379.19019	4.5
383.16388	24.5
389.17450	36.1
391.19037	46.0
393.20599	7.3
401.17487	72.8
407.18524	9.3
409.20123	14.2
419.18539	100.0
421.19763	2.7
437.19550	45.4
439.20486	4.2
455.20526	6.8
457.22061	4.8
461.19531	8.6
479.20718	21.0
497.21561	25.9
515.22833	17.6
527.33038	2.9
539.22827	8.5
539.33478	3.4
557.23840	55.3
557.33917	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	556.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.01875	1.3
55.05269	1.5
55.05518	18.0
57.03438	8.0
57.06832	1.5
57.07082	19.5
58.06599	1.0
58.95169	1.0
67.05233	1.0
67.05514	11.8
69.06725	1.9
69.07072	21.2
70.06599	12.0
71.04996	1.9
71.08636	9.9
71.55019	1.4
73.02916	2.0
78.83070	1.1
79.05502	6.3
81.02983	2.0
81.03425	26.3
81.07058	14.0
81.44898	1.0
83.04993	6.6
83.08624	26.6
83.67114	1.1
85.02917	10.9
85.06547	1.8
85.10178	5.1
86.09723	1.3
87.04525	1.0
88.07637	6.2
89.06044	9.9
91.05488	9.9
93.07055	6.7
95.04993	8.8
95.08597	7.5
97.06570	1.8
97.10175	15.0
102.09177	3.1
105.07035	8.4
107.04980	1.8
107.08607	4.3
109.06526	1.7
109.10162	4.8
111.08083	5.8
111.11719	4.5
119.08582	7.2
121.10149	5.9
123.11737	1.5
129.06999	4.1
131.08588	3.2
132.10240	5.3
133.08598	4.8
133.10141	3.9
135.11684	2.0
146.11774	5.3
147.11659	5.9
149.09676	2.1
157.10117	5.7
165.12813	1.1
175.11165	6.5
177.11201	2.0
193.12267	20.5
195.51486	1.0
197.37436	1.0
211.13289	26.7
212.23808	1.5
237.22307	1.6
256.26437	8.0
267.15933	7.1
272.25925	2.0
283.15250	1.9
283.26331	44.2
285.16956	25.4
285.19815	1.8
300.28983	24.5
300.32425	1.2
311.25848	52.8
311.29364	4.6
371.22839	3.5
407.70648	1.2
435.12790	1.2
503.37207	5.0
521.38403	75.8
522.38782	1.7
556.53009	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07986	1.4
55.01877	2.5
55.05505	7.8
57.03440	8.1
57.07079	25.6
66.50791	2.0
67.05508	14.6
69.07060	9.1
70.06593	4.6
71.04292	3.9
71.08634	23.7
73.02927	2.0
79.05499	13.6
81.07065	17.2
82.93369	1.5
83.04967	1.7
83.08618	12.3
85.10207	9.8
86.29198	1.6
87.91784	1.6
89.06030	12.1
91.05486	4.1
93.07048	19.3
95.04974	3.9
95.08610	33.7
97.02886	2.7
97.06528	2.3
97.10188	3.7
99.04430	3.1
103.05585	1.6
105.07026	4.6
107.04979	6.7
107.08596	15.3
109.10155	5.1
111.04453	1.4
111.11746	1.7
116.49226	1.6
117.07016	7.2
119.08633	4.6
121.06484	3.6
121.10128	8.7
123.11662	1.6
126.32060	1.7
133.08588	6.9
133.10066	2.9
135.08099	2.6
135.11700	35.4
145.10138	19.5
145.30434	1.9
163.11205	42.2
177.11240	4.1
181.12228	5.6
181.53094	1.7
189.07864	1.8
190.12769	1.6
200.90689	1.7
227.12810	68.5
256.26288	2.3
283.15396	65.7
283.26254	8.1
300.28989	5.8
313.27371	100.0
371.22839	4.4
374.38608	1.7
521.38391	81.8
556.52991	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	556.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05494	0.4
65.03952	0.5
66.04749	0.4
67.05499	0.6
69.30625	3.6
72.55191	0.4
77.10178	0.4
79.05502	1.9
80.06310	0.4
81.03407	0.6
81.07069	1.0
83.04995	0.5
85.02916	1.5
91.05486	3.8
93.07053	0.9
94.04189	2.2
95.04963	0.9
95.08599	0.6
100.07633	0.7
101.94185	0.4
103.05472	3.4
105.07047	4.1
107.04951	4.5
107.08602	0.8
108.05769	2.2
109.06516	1.1
115.05438	0.6
117.07019	1.7
119.04945	0.4
119.08585	1.2
121.06515	6.5
122.03642	5.4
123.08102	0.6
127.03979	0.6
128.06183	0.9
129.07014	0.7
131.04924	4.7
133.06497	20.3
135.04433	1.4
135.08017	2.0
136.05215	6.0
137.05983	100.0
143.08554	1.0
145.06519	2.5
145.10101	0.5
146.07265	4.2
147.08047	10.1
149.05988	0.9
150.06763	2.5
151.07549	92.3
157.06473	1.7
159.08058	1.3
160.08839	1.1
161.06026	1.0
162.06769	1.4
163.07555	10.6
165.09125	7.5
165.16064	0.5
166.08698	0.6
171.08012	2.3
173.05972	0.7
174.06741	1.6
175.07533	2.2
176.08379	1.0
177.09122	25.5
179.10677	0.6
186.10429	0.7
187.07481	1.1
188.08389	2.2
189.09091	4.8
191.10655	1.6
201.09097	1.4
202.09865	1.6
203.10681	6.4
205.12398	0.5
207.10129	0.4
217.12253	4.2
221.11740	0.9
226.14505	1.0
233.67352	0.4
235.13315	0.8
263.10587	0.7
277.12253	0.8
278.13156	0.7
294.12521	0.5
295.13162	0.5
309.14865	15.5
326.15149	7.2
341.17493	48.3
342.17975	0.8
359.18512	7.8
374.21570	0.5
377.44052	0.5
492.17612	0.9
557.25848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
55.48874	0.6
57.03453	0.7
61.02911	0.7
67.05502	1.0
69.03421	1.8
69.82909	3.1
70.06593	0.8
73.97002	0.6
79.05497	1.9
81.03450	0.8
81.07060	1.3
85.02917	5.8
91.05472	3.5
93.07034	0.8
94.04192	2.4
95.04988	0.8
97.02885	1.6
100.07598	1.2
100.09353	0.6
103.05474	2.6
105.07051	4.7
107.04948	3.5
108.05755	1.6
109.02872	0.8
109.06527	1.6
109.85062	0.6
115.05503	0.9
115.61403	0.5
117.07017	1.5
119.08605	0.9
121.06503	5.6
122.03661	5.9
124.07623	0.6
127.03913	1.7
128.06219	0.7
129.06955	1.0
131.04951	5.3
131.08556	0.6
133.06496	22.4
135.04436	1.7
135.08054	1.7
136.05191	5.4
137.05981	100.0
143.04965	1.0
143.08563	1.8
145.04918	1.0
145.06505	2.0
146.07271	3.8
147.08044	12.3
149.06036	1.4
150.06760	2.3
151.07549	99.2
157.06558	1.7
159.08014	1.2
161.06003	0.9
162.06749	2.2
163.07552	13.9
164.08362	0.9
165.09129	8.9
171.08044	2.2
172.08890	0.9
173.13419	0.6
174.06763	1.6
175.07576	2.5
176.08334	1.8
177.09108	26.8
179.10561	0.8
186.10468	0.8
187.07526	1.2
188.08391	2.6
189.09114	4.3
191.10683	2.4
201.09148	1.9
201.77127	0.6
202.09926	1.8
203.10664	8.6
205.12376	0.7
207.10262	0.7
217.12280	4.7
221.11653	1.0
227.37384	0.6
235.13380	1.1
245.09335	0.9
255.80592	0.7
277.12442	0.9
278.13016	1.4
301.11884	0.7
305.34930	0.6
309.11316	1.1
309.14865	16.8
326.15189	7.4
341.17474	52.7
359.18481	8.2
493.41016	0.8
556.19183	1.0
556.30493	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01867	2.3
55.05516	16.5
57.07061	5.5
67.05516	9.6
69.03426	4.3
69.07071	6.7
70.13185	3.4
71.04995	12.5
79.05508	13.2
81.03424	23.9
81.07065	12.2
83.04992	16.7
83.08620	3.3
85.06580	2.2
91.05479	15.0
92.31886	1.3
93.07048	14.5
95.04978	15.8
95.08630	13.5
97.06521	3.9
97.10175	1.4
98.98463	2.5
99.08116	2.6
103.05449	1.8
105.07024	18.7
107.04946	6.1
107.08604	18.9
109.06524	9.0
109.10168	5.8
111.08084	7.3
115.05460	1.7
117.07020	5.5
119.08601	18.6
121.06507	5.5
121.10160	8.3
123.08041	1.6
123.11724	1.8
128.06212	3.0
129.06999	5.1
131.04959	10.2
131.08577	14.2
133.06483	5.2
133.10132	15.5
135.08037	3.8
135.11676	4.2
137.09647	3.1
141.07056	1.3
142.07802	5.4
143.08533	8.5
144.09372	2.0
145.06508	3.0
145.10121	17.6
146.27756	1.3
147.08054	12.2
147.11681	7.1
149.09595	1.9
153.06958	2.4
155.01027	2.5
155.08589	5.9
156.09366	4.4
157.10150	21.8
158.10912	1.7
159.08047	10.3
159.11732	11.1
161.09641	27.2
161.13300	4.6
163.11211	2.9
165.06992	2.2
167.08609	3.1
168.09335	4.9
169.10074	8.3
170.10841	2.9
171.08084	3.0
171.11711	9.7
173.09641	18.1
173.13277	13.6
175.11203	17.6
175.14867	3.0
179.08591	4.3
180.09396	3.3
181.10121	12.1
182.10942	7.4
183.11710	83.6
184.12515	3.7
185.09711	2.6
185.13257	10.0
187.11197	3.9
187.14810	11.0
189.12733	8.9
189.16347	3.9
193.10129	7.1
194.10947	4.1
195.11742	15.8
196.12437	2.7
197.09549	1.8
197.13280	39.6
199.11212	2.0
199.14861	10.5
201.12758	41.8
201.16479	2.4
203.14406	2.6
207.11723	7.0
208.12401	7.2
209.13277	10.7
211.14873	6.2
213.12695	2.2
213.16460	3.2
215.14345	8.9
217.15929	4.9
219.11685	1.9
219.86560	1.5
220.12454	3.2
221.13326	4.7
222.14101	3.9
223.11435	1.9
223.14865	14.3
225.16362	4.2
227.14305	2.5
227.18002	1.6
233.13280	1.9
234.14059	1.7
235.14807	8.2
237.16368	17.9
238.17174	1.8
241.15868	2.0
246.38988	1.5
247.14798	3.4
249.16417	3.4
250.17325	1.5
251.17946	4.9
252.15155	1.8
253.19395	2.3
255.17381	3.2
255.21031	1.5
261.16406	1.8
263.17960	2.4
265.16241	1.9
265.19580	6.8
267.17441	19.4
279.17490	3.3
281.18976	2.3
283.20551	3.2
291.17444	5.7
291.21121	4.1
293.18991	4.5
295.17007	2.9
303.17361	2.7
305.19052	2.3
309.22137	3.2
317.18832	3.3
321.18530	1.8
323.23608	1.7
333.22223	4.0
347.23758	2.1
349.25269	13.2
352.43015	1.4
359.19171	2.7
359.23709	90.5
377.24774	100.0
395.25824	16.5
419.25790	3.7
437.34262	2.0
455.35226	2.3
459.29144	3.1
474.33725	1.4
495.31134	3.1
510.43350	1.4
555.34863	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	555.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01878	14.1
55.05514	31.7
65.49886	2.4
67.05505	9.1
69.03423	7.0
69.07070	4.3
79.05486	16.0
79.76353	2.6
81.03429	12.4
81.07066	8.5
83.04988	34.6
85.16634	2.3
91.05486	32.3
93.07038	8.5
95.04974	12.7
95.08625	6.7
103.05460	7.4
105.07043	26.9
107.04951	8.2
107.08605	12.1
109.06543	7.6
109.10186	5.4
115.03886	3.6
115.05465	6.9
116.06232	4.7
117.07011	18.3
119.04961	4.9
119.08585	33.7
121.06518	5.2
121.10168	6.0
123.08113	3.7
128.06265	8.5
129.07014	28.0
131.04938	8.4
131.08559	21.1
133.06529	4.4
133.10141	30.2
135.08058	12.4
141.06995	5.6
142.07788	8.0
143.08586	21.6
145.06503	19.4
145.10146	17.6
147.08055	100.0
147.11674	5.9
149.09622	8.5
153.07001	3.6
154.07823	2.7
155.08592	9.3
156.09346	15.3
157.06422	2.9
157.10144	35.2
159.08067	29.8
159.11678	23.9
161.05951	4.1
161.09630	39.4
163.07541	32.5
163.11157	6.2
165.07057	5.2
167.08565	4.5
169.10141	15.2
170.10947	10.6
171.08058	8.9
171.11693	66.7
171.13147	4.3
173.05977	8.3
173.09654	26.8
173.13235	6.9
175.07600	8.6
175.11197	4.5
179.08559	6.3
179.10681	2.7
180.09334	3.5
181.10187	5.5
182.10866	3.4
183.08060	3.4
183.11707	29.1
184.08804	2.8
185.09642	14.0
185.13254	49.8
187.07564	7.2
187.11192	9.6
189.09117	5.1
189.12799	6.3
191.10812	4.2
193.10170	5.8
195.11726	10.3
197.09630	6.6
197.13298	7.7
198.10429	6.1
199.11191	23.8
201.09082	10.8
201.12701	14.0
203.10609	5.5
205.12259	4.8
206.10909	3.0
207.11694	7.2
209.09587	5.3
209.13266	4.9
211.11232	8.1
213.09312	2.6
213.12758	44.7
215.10693	4.1
215.14307	4.7
217.12209	6.1
217.17627	2.7
219.11595	3.9
221.09790	3.7
221.13303	5.4
223.11253	7.5
225.12747	6.2
226.09697	3.8
227.10736	7.9
229.10280	3.2
229.12143	4.8
230.11017	2.9
231.13774	16.4
232.12489	4.1
233.13359	4.9
233.15376	4.5
235.11111	3.2
237.12775	6.9
239.10681	5.1
241.12234	20.1
243.13928	5.4
245.13190	3.8
245.15393	34.0
246.14055	3.7
247.13295	3.1
249.12746	3.1
251.14352	3.2
255.13876	7.0
257.15472	4.8
259.13171	22.3
261.12512	3.8
263.16553	9.0
269.13412	3.6
273.12503	3.3
273.14874	20.4
279.13733	3.2
281.11996	2.5
287.14432	4.3
291.15936	9.1
297.12726	5.4
299.14307	3.7
301.15921	4.0
305.18744	4.1
311.14325	4.0
312.15222	4.4
315.17422	5.9
317.15533	2.8
317.19055	7.1
327.17371	13.0
328.18152	3.2
329.19110	3.1
341.18942	12.5
345.18488	8.8
359.20245	12.2
369.18213	3.3
377.21027	4.8
387.19556	13.1
389.21240	4.0
391.22729	7.7
401.21097	18.9
405.20721	16.5
407.18155	5.4
419.22137	33.3
423.21887	4.3
437.23190	28.7
455.24405	5.1
523.26947	10.4
537.28235	7.6
555.22620	3.6
555.30109	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	555.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
55.01878	23.1
55.05517	59.0
55.60365	3.6
57.03469	2.6
67.05512	12.4
69.03433	7.8
69.07072	5.3
69.86444	16.2
72.80843	3.0
77.03941	4.9
79.05497	24.4
81.03430	16.1
81.07064	12.7
83.04990	82.3
84.44926	2.6
91.05486	45.9
93.07028	17.6
95.04984	17.6
95.08605	12.3
97.06544	4.2
98.20829	4.7
103.05497	6.5
105.03456	3.7
105.07040	40.7
105.07690	4.7
107.04973	9.8
107.08589	19.9
109.06538	9.3
109.10155	4.0
115.05470	12.5
116.06246	6.7
117.07034	33.5
119.08595	42.7
121.06512	9.6
121.10154	9.4
128.06227	11.3
129.07021	26.9
130.07784	2.9
131.04941	10.3
131.08585	37.8
133.06506	19.0
133.10129	34.1
135.08012	17.7
141.06999	9.6
142.07806	12.1
143.08568	34.1
144.05676	5.7
144.09406	2.8
145.06503	24.5
145.10109	28.1
147.08057	89.8
147.11679	6.0
149.06038	3.8
149.09610	14.7
151.07559	3.3
153.07034	4.6
155.08554	11.8
156.09363	28.4
157.06474	3.2
157.10133	56.0
157.11322	4.8
158.07277	3.7
159.08073	80.5
159.11699	41.9
161.05986	13.6
161.09637	48.0
161.13322	3.3
163.07550	100.0
163.11197	6.6
165.07011	6.7
166.07799	3.1
167.08577	6.6
168.09370	3.8
169.06592	2.8
169.10139	26.2
170.10928	16.8
171.08072	23.6
171.11691	72.1
173.05960	10.2
173.09659	37.5
173.13300	11.7
175.07486	15.1
175.11195	8.6
177.05350	3.0
177.09180	5.4
179.07092	3.7
180.09315	4.2
181.10156	10.6
182.10896	4.4
183.08061	9.5
183.11702	46.4
185.09642	25.7
185.13264	57.6
187.07544	8.4
187.11255	17.4
189.09143	6.5
189.12784	6.7
191.08572	3.2
191.10721	3.4
192.09300	4.1
193.10167	6.7
194.10751	3.2
195.11711	11.8
196.08844	3.9
197.09619	13.8
197.13249	14.2
198.10464	7.1
199.07527	4.0
199.11176	27.9
200.12024	9.3
201.09071	15.0
201.12787	13.4
203.07004	5.6
203.08804	3.9
203.10690	8.4
203.14388	6.0
205.12238	5.5
207.11722	14.4
208.08907	3.5
208.12407	4.6
209.09668	6.8
209.13330	7.5
210.10440	4.8
211.11250	14.4
211.14937	3.5
213.09483	5.5
213.12744	72.1
215.10764	9.4
215.14427	3.4
217.08577	14.2
217.10457	3.0
217.12225	11.6
219.09943	3.4
219.11836	3.7
221.09702	4.6
221.13324	8.2
223.11209	11.4
223.14842	6.0
225.09212	4.5
225.12752	7.7
227.10660	6.3
229.10356	3.0
229.12227	13.0
231.09988	4.1
231.11905	4.4
231.13823	20.5
232.12520	4.3
233.11470	3.1
233.13408	4.1
233.15421	6.6
234.14183	3.2
235.11133	4.7
235.14801	6.1
237.12790	6.8
239.10648	3.2
241.12277	13.6
242.10883	4.4
243.11783	3.9
243.13890	6.6
244.12599	5.0
245.11485	4.1
245.13405	4.6
245.15450	24.6
246.10403	3.0
247.11237	6.2
247.15022	5.4
249.12720	6.3
249.16293	5.2
255.11732	4.2
255.13979	3.7
257.15646	4.0
259.10840	5.3
259.13208	39.6
261.12692	5.4
263.16501	8.3
267.13797	3.4
271.14859	3.4
271.17380	4.0
273.12421	4.4
273.14847	29.0
274.13467	3.1
275.14441	3.4
276.25308	3.1
277.14310	4.2
279.13919	3.6
285.12805	4.6
287.14297	7.4
289.15311	4.0
291.16049	9.1
299.17654	3.4
301.15881	4.8
303.13538	2.8
304.40140	3.1
307.17020	3.1
313.15680	3.9
315.14038	3.1
315.17447	12.3
317.15402	4.5
317.18979	6.6
319.17105	3.4
321.15121	2.8
327.17413	6.8
329.15454	3.6
329.18964	5.8
331.16858	4.5
331.20547	5.5
333.18472	6.4
341.19037	8.4
343.16959	4.1
345.18567	10.5
349.17880	3.6
357.18573	5.8
359.16235	3.6
359.20044	4.1
361.18011	3.2
363.19626	9.1
373.17847	4.4
375.19519	5.2
377.21246	3.9
379.19073	3.4
387.19495	11.9
389.21475	5.4
390.84531	3.3
391.18292	3.4
391.22607	8.4
393.20401	3.9
395.18332	4.7
401.21188	7.9
405.20651	8.5
407.22168	10.5
409.19885	4.7
411.21744	4.3
419.17615	6.0
419.22983	26.2
423.21762	4.9
425.22986	3.0
437.18933	12.5
437.23346	19.3
455.19839	16.0
523.27020	21.5
537.24615	3.6
555.24091	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	555.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	16.5
55.05510	7.1
64.16042	3.7
67.05498	9.7
69.03417	17.7
69.07058	6.3
70.79645	7.1
75.78254	2.7
79.05477	13.5
81.03404	13.2
81.07053	11.4
83.04980	8.2
91.05489	40.7
93.07037	13.1
95.04972	18.0
95.08598	6.1
95.33053	3.3
97.06561	4.1
103.05449	8.8
105.07036	24.7
107.04993	7.0
107.08567	16.5
109.06508	8.1
109.10173	4.6
115.05453	11.1
117.07013	24.9
119.08584	38.3
121.06515	7.3
121.10146	8.1
123.08076	3.3
128.06232	11.4
129.07008	32.0
130.07770	6.5
131.04932	7.5
131.08568	20.9
133.06459	8.2
133.10153	16.0
133.39854	2.8
135.08057	8.5
137.09601	4.1
141.06978	10.3
142.07773	15.9
143.08545	22.7
145.06491	18.0
145.10106	17.7
147.08047	100.0
147.09232	5.5
149.06868	3.0
149.09625	13.1
152.06241	3.0
153.06953	5.9
155.08542	13.0
156.09348	16.2
157.10132	61.2
158.07300	4.1
159.08057	34.6
159.11714	33.5
161.06000	3.5
161.09634	33.3
163.07535	26.3
165.07047	12.7
165.09109	6.8
166.07780	3.5
167.08543	10.1
168.09326	5.4
169.10139	26.4
170.10855	3.4
170.88744	3.2
171.08054	13.3
171.11696	50.4
173.06015	11.6
173.09630	23.2
173.13275	8.4
175.07550	27.6
175.11162	6.9
179.08511	6.8
181.10202	6.7
183.08012	6.9
183.11696	26.4
185.09573	17.6
185.13286	7.9
187.11205	18.0
189.09053	5.2
191.08640	5.3
193.10153	7.8
195.07983	3.2
195.11688	10.6
196.08693	4.3
197.09570	17.2
197.13306	9.1
199.11128	25.7
201.09117	4.6
201.12685	6.0
205.10268	5.5
206.10896	7.4
207.11774	6.9
208.08783	3.8
208.12575	2.9
209.09714	7.2
209.13261	5.5
211.11224	16.6
213.09122	6.4
213.12741	12.4
215.08702	4.0
215.10704	5.9
215.14256	6.4
217.10272	6.0
217.12268	10.9
219.11794	5.2
221.13269	7.8
223.11198	19.1
225.12772	4.3
227.10628	12.7
229.12216	19.5
230.10870	6.9
231.11708	7.5
231.13828	17.2
233.13283	4.0
233.15396	6.2
237.12767	8.4
239.10742	5.9
241.12218	3.7
243.11845	6.6
243.13924	4.4
245.13280	4.6
246.10255	4.8
247.11197	3.7
247.14784	7.1
249.12692	8.1
255.11620	5.0
257.13248	7.7
260.12006	4.9
260.15558	4.0
261.12674	5.2
263.14423	8.7
267.11566	4.3
268.12332	3.6
269.13101	5.6
270.14127	6.5
272.12036	4.0
273.12665	7.5
274.13388	4.8
275.14252	10.6
283.11145	7.8
284.15384	4.3
285.12650	7.4
285.16287	4.7
287.14224	9.5
288.15100	3.6
297.12607	9.4
298.13358	6.2
299.14334	7.5
301.16010	8.5
303.17502	8.6
309.12723	3.3
310.13467	3.2
311.14297	5.7
312.14944	7.1
313.15872	23.7
315.13821	4.4
315.17456	7.2
317.19022	4.8
323.14282	8.2
325.15918	3.8
327.17377	10.7
328.18219	6.6
329.15482	3.9
329.18985	5.9
331.16928	17.4
338.16599	4.5
341.15253	3.9
341.19037	7.9
343.20618	9.1
345.18457	18.4
347.20090	7.0
353.18832	19.0
359.16187	5.0
359.20102	6.1
361.21432	8.9
371.20044	37.9
373.18060	10.4
389.21152	56.0
405.20547	18.9
407.22165	34.0
423.21622	9.5
431.22125	6.2
433.19940	9.7
437.19507	4.2
449.23157	21.4
451.21161	14.6
467.24289	8.7
469.22186	4.6
523.23010	12.4
537.27765	70.7
582.05212	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	555.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.9
55.01859	9.0
55.05516	62.4
55.24625	4.8
67.05491	14.9
69.03413	12.3
69.07052	8.8
69.25519	36.2
69.25924	6.2
79.05494	35.6
81.03414	14.2
81.07049	19.2
83.04982	69.2
91.05485	71.4
93.07075	29.1
95.04959	13.0
95.08618	11.3
97.06512	9.7
98.20725	8.9
103.05482	28.2
105.04480	6.0
105.07032	76.3
107.04970	7.4
107.08567	19.4
109.06523	12.1
109.10162	6.8
115.05450	25.9
116.06255	10.7
117.07013	47.3
118.97549	4.8
119.08582	95.9
120.88968	4.3
121.06481	11.6
121.10143	9.2
123.08001	5.1
123.30286	4.8
128.06226	16.0
129.07007	27.8
130.07829	5.8
131.04929	14.8
131.08577	46.5
133.06471	13.4
133.10141	36.4
135.08070	10.8
141.06989	13.1
142.07788	21.2
143.08553	47.2
144.09326	7.3
145.06485	21.3
145.10120	35.8
147.08032	28.3
147.11620	7.1
149.09631	13.3
153.06973	8.7
154.07748	7.8
155.08510	21.9
156.09338	21.2
157.10143	68.5
159.08040	20.6
159.11681	25.1
161.06004	8.3
161.09607	21.9
163.07516	13.6
163.11139	9.1
165.07010	18.6
165.09149	7.7
166.07770	6.7
167.08549	15.4
169.10150	36.9
170.10872	19.0
171.08046	21.0
171.11699	100.0
172.08897	7.7
173.05954	5.3
173.09642	29.0
173.13295	10.9
175.07607	8.4
175.11140	8.4
177.09007	8.3
178.07811	8.6
179.08556	12.8
179.10629	6.0
180.09315	6.6
181.10121	20.4
182.10942	6.7
183.08031	7.3
183.11734	45.3
184.08846	5.0
185.09674	27.7
185.13245	71.1
187.11176	34.0
189.12766	9.6
191.08504	6.3
191.10622	6.4
193.10101	13.6
195.10101	5.4
195.11693	28.5
197.09616	12.5
197.13295	26.3
198.10345	8.6
199.07632	5.3
199.11185	43.0
200.11867	7.4
201.09085	8.7
201.12688	10.0
203.08630	9.1
203.10699	9.6
205.10284	9.6
206.10919	13.6
207.11673	20.1
209.09682	5.4
209.13231	9.0
211.11211	24.4
213.09167	5.1
213.12755	81.2
215.10710	11.8
216.09230	11.0
217.10123	17.2
217.12227	19.9
218.10951	11.0
219.11711	22.4
220.12398	9.7
221.13252	17.6
223.11191	13.5
225.12828	8.2
228.09169	6.0
229.10089	14.0
229.12207	13.0
230.10876	14.3
231.11696	20.7
231.13817	16.1
232.12454	13.6
233.09744	5.5
233.13437	25.4
234.13979	5.7
235.11272	6.2
235.14725	12.7
237.12842	10.3
240.09453	5.5
241.10109	11.4
241.12289	12.7
242.10851	6.2
243.11652	18.6
243.13907	9.1
244.12514	16.2
245.13240	19.4
245.15410	34.6
246.14069	10.1
247.11070	6.8
247.15038	9.6
249.12820	9.1
254.10757	9.0
255.11659	39.9
255.13924	10.7
256.12500	13.0
257.13205	19.1
258.13916	9.9
259.10947	7.9
259.14886	15.0
260.15604	11.4
261.12943	6.1
261.16357	10.7
263.14124	6.6
269.13144	31.0
269.15662	5.7
270.14032	23.1
271.14752	21.8
272.15491	7.2
273.14444	26.5
275.17810	20.3
281.15411	10.7
284.15536	14.7
285.13306	6.4
285.16400	51.7
286.16901	11.1
287.14352	7.8
287.17883	18.4
289.19580	9.7
291.15860	20.6
297.12665	9.7
299.18008	33.6
301.15918	8.4
303.17368	22.5
315.17459	10.2
317.15732	6.6
317.18985	32.6
321.18646	9.5
327.17499	12.0
335.20068	9.7
345.18478	43.7
349.21597	9.8
359.16370	6.0
359.20151	50.1
363.19449	25.7
369.20383	5.9
377.21170	46.5
395.22144	26.4
405.20508	7.2
407.21732	6.6
423.21481	16.9
437.23206	7.7
537.25342	5.3
555.25262	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	555.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15665	1.8
52.45508	1.8
53.03936	2.2
55.01662	1.6
55.01875	18.2
55.05518	3.8
67.05506	6.7
69.03433	14.8
69.07064	2.2
69.38949	10.5
79.05505	11.5
81.03418	14.9
81.07044	7.2
83.04983	5.7
90.53081	1.9
91.05475	38.9
93.07065	8.1
95.04987	11.8
95.08589	3.8
103.05461	7.8
105.07021	17.4
107.04967	9.9
107.08586	9.3
109.06520	4.5
109.10159	2.4
115.05443	9.8
116.06250	3.1
117.07033	19.5
119.04910	2.1
119.08586	40.6
121.06488	6.4
121.10173	4.2
123.08024	2.8
128.06223	7.0
129.06990	24.1
130.07773	3.7
131.04927	7.3
131.08562	19.2
132.05717	3.1
133.06474	8.1
133.10124	12.4
135.08028	9.3
137.09592	2.8
141.06990	6.6
142.07765	8.4
143.08575	17.0
144.05711	2.5
144.09285	2.1
145.06487	20.1
145.10124	15.2
147.08054	100.0
147.11723	1.9
149.09625	14.7
153.07005	3.3
154.07777	2.9
155.08531	10.6
156.09386	14.5
157.06537	2.9
157.10138	66.0
158.07271	5.3
159.08069	36.4
159.11687	35.1
161.06007	3.7
161.09641	20.3
161.13281	2.1
163.07533	35.2
163.11189	2.4
165.06989	5.6
165.09082	2.2
166.07741	2.3
167.08543	5.2
168.09360	5.0
169.10132	24.5
170.10899	4.6
171.08092	6.9
171.11691	68.8
173.06004	9.0
173.09647	18.1
173.13164	9.2
175.07545	36.1
175.11192	9.2
177.09192	2.7
179.08607	3.3
181.10104	7.4
183.08046	5.2
183.11696	31.2
185.09639	16.9
185.13210	7.3
187.07530	4.1
187.11191	12.0
189.09131	4.7
193.10136	4.7
194.10870	2.2
195.08043	3.4
195.11707	5.4
196.08867	4.1
197.09602	15.9
197.13264	5.7
198.10414	1.9
199.11182	20.8
201.09120	3.5
201.12700	6.9
203.08882	2.1
203.10670	6.8
205.10225	2.9
206.10905	3.5
207.11739	6.6
208.08662	2.3
209.09628	7.3
209.13251	5.4
210.10475	3.0
211.11174	8.6
213.09084	4.9
213.12778	4.7
215.10667	5.5
217.10245	3.9
217.12265	9.6
218.10806	2.4
219.11661	4.7
220.12379	2.1
221.09613	4.1
221.13272	6.1
223.11247	11.8
225.09291	2.0
225.12624	4.2
226.03127	1.8
227.10687	14.3
229.10133	3.5
229.12216	15.6
230.10864	3.1
231.11839	3.0
231.13815	19.1
232.12387	2.3
233.09612	3.2
233.13332	3.2
233.15398	6.2
235.11107	5.7
235.14830	4.1
237.12704	6.3
239.10803	3.1
239.14359	2.0
241.12120	4.5
243.11671	4.8
243.13918	3.8
244.12515	4.8
245.13406	4.5
246.10544	2.9
246.13875	2.1
247.11113	3.6
247.15053	4.2
249.12755	4.2
249.14902	6.4
251.10710	1.6
251.14365	2.8
255.11577	3.8
255.13974	2.2
256.12613	2.0
257.13312	3.3
259.11014	4.0
259.13342	7.9
260.11963	3.7
261.12759	4.3
263.14316	4.9
267.11594	1.9
268.12289	2.8
269.13144	4.5
270.13968	2.1
271.11227	2.9
271.14667	3.3
272.12164	3.2
272.15631	4.5
273.12704	5.4
274.13492	3.7
275.14185	5.3
275.17209	2.0
277.14429	3.1
282.13922	3.1
283.11084	5.5
284.11844	2.0
285.12671	6.3
285.16257	3.2
286.13403	2.4
287.14185	6.4
288.15030	2.1
289.15842	3.4
297.12711	7.3
298.13690	3.9
299.14313	4.5
300.15146	3.6
301.12454	2.1
301.15854	3.9
303.13956	3.5
303.17459	10.4
307.13400	2.2
311.14240	3.6
312.15143	5.1
313.12469	2.9
313.15802	15.7
314.16415	3.2
315.13971	3.5
315.17328	11.0
315.20697	2.8
317.15375	3.0
317.18909	3.2
323.14368	2.4
325.15671	2.1
326.13101	2.1
327.13910	2.1
327.17410	7.7
329.15271	2.2
329.18909	5.8
331.16928	17.0
334.71423	1.8
338.16702	1.9
340.14862	1.9
341.15314	3.3
341.19089	2.4
343.20361	3.3
345.18576	16.0
347.16226	3.2
347.20160	3.6
349.17941	3.0
353.18826	3.6
355.16873	5.1
357.18369	3.3
359.16275	4.3
361.21622	2.4
363.19595	2.9
371.20123	14.3
373.17850	14.2
375.19788	3.1
377.21170	5.2
387.19449	5.0
389.21124	27.2
391.18719	3.3
401.17496	4.3
405.20679	25.7
407.22089	12.4
419.18274	3.3
423.21689	8.8
433.20126	11.3
437.19495	4.2
449.23227	6.4
451.21194	13.5
467.23920	2.7
469.22244	3.9
523.23328	18.4
537.23999	53.3
555.26434	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
55.01885	14.9
55.05497	7.7
62.60274	2.4
65.49160	2.5
66.05746	2.4
67.05507	7.2
67.84108	2.4
69.03442	18.1
69.07061	6.0
71.55370	3.9
74.97905	3.2
79.05499	16.4
81.03408	13.0
81.07051	8.6
81.81893	2.8
83.04996	6.6
91.05482	42.4
93.07047	11.7
94.40974	2.4
95.04981	15.7
95.08627	5.7
95.49331	2.9
103.05468	12.5
104.06168	2.8
105.03430	4.5
105.07040	25.1
107.04956	7.2
107.08594	12.6
108.89639	3.1
109.06512	8.5
115.05462	13.9
117.07032	24.7
119.04876	2.6
119.08591	44.7
120.85371	2.7
121.06522	8.1
121.10165	3.6
123.08022	3.6
128.06226	10.5
128.62416	2.7
129.07025	24.4
131.04930	22.6
131.08568	25.5
133.06491	8.9
133.10118	19.6
135.08052	10.6
135.11697	3.0
141.06949	5.8
142.07787	12.6
143.08566	25.8
144.05736	3.2
144.09294	3.3
145.06499	22.9
145.10158	21.6
147.06937	5.8
147.08066	100.0
147.11688	4.1
149.09627	16.2
153.06996	4.2
154.07779	5.5
155.08595	10.8
156.09383	14.4
157.06454	3.2
157.10144	67.6
158.07277	5.3
159.08075	43.5
159.11694	27.5
161.09633	37.9
163.07549	24.1
165.06975	3.6
165.09138	7.2
167.08559	8.8
168.09340	3.8
169.10132	29.1
170.10941	5.3
171.08072	5.2
171.11697	60.4
173.05983	7.2
173.09622	26.1
173.13263	11.8
175.07558	28.4
175.11198	9.7
179.08609	6.6
180.09364	3.6
181.10112	11.2
183.08128	5.5
183.11719	32.4
185.09662	17.0
185.13181	7.1
187.11171	12.9
189.09009	3.1
189.12794	3.0
191.08646	2.7
191.10669	4.2
192.09453	3.4
193.10097	5.5
195.08014	2.7
195.11674	8.9
196.08746	5.0
197.09579	16.8
197.13341	4.4
199.07626	3.2
199.11218	27.1
201.09122	6.9
201.12762	7.4
203.10805	5.3
204.09445	2.8
206.10861	3.7
207.11697	8.2
209.09637	9.3
209.13383	4.8
211.11185	9.3
213.09148	6.6
213.12769	9.0
215.08670	4.0
215.10655	6.8
217.10184	3.9
217.12236	11.0
218.10852	4.4
219.11774	6.1
220.12669	3.6
221.09537	4.7
221.13243	6.7
223.11208	15.6
225.09154	3.8
225.12712	4.4
227.10590	14.8
229.10231	3.9
229.12268	13.9
229.19600	3.1
230.10901	4.6
231.11617	7.9
231.13817	15.4
233.09645	4.9
233.15302	5.8
235.11290	5.5
235.14861	4.2
237.12814	5.0
239.10750	3.6
241.12257	5.6
243.11812	4.3
243.13974	5.2
245.11475	4.2
245.13464	4.2
245.15434	4.5
246.10457	3.8
247.11171	4.0
247.15117	3.1
249.12659	5.1
251.14262	4.6
255.11717	3.8
257.13327	5.7
259.11121	5.3
259.13416	5.0
260.15106	2.8
261.12695	7.4
263.14325	6.7
269.09659	2.7
269.13223	6.1
271.14767	5.6
272.12128	3.9
273.12625	9.1
275.14288	7.8
275.17926	3.4
280.12448	2.9
283.11224	5.9
284.12125	4.0
284.15640	5.1
285.12866	5.0
285.16385	4.3
286.13455	4.3
287.14227	9.1
288.14871	4.3
289.16000	4.7
297.12634	5.7
298.13486	9.9
299.14240	7.9
300.15100	5.8
301.12292	3.6
303.14105	3.6
303.17416	9.9
305.14227	3.5
311.14398	4.2
312.15063	5.8
313.15887	18.8
314.16235	6.0
315.17410	12.4
317.19070	6.9
327.17416	7.9
329.18887	8.1
331.16870	12.0
341.15271	3.8
343.20624	5.6
345.18524	14.7
347.20145	3.2
353.19113	5.2
357.18472	6.4
359.16220	4.8
361.21429	4.2
363.19464	3.7
371.20132	21.4
373.17905	11.7
375.19418	4.7
377.21170	6.5
387.19595	7.4
389.21204	39.2
391.18832	4.0
401.17740	3.3
405.20535	23.7
407.22293	16.7
419.18204	3.2
423.21649	14.9
433.20096	11.0
435.21472	4.5
437.19458	4.8
449.23196	11.5
451.21048	10.9
467.23877	4.1
469.21738	3.3
523.23181	14.2
524.29968	3.0
537.25604	46.8
555.26123	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	555.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56727	1.6
53.03954	3.2
55.01867	7.8
55.05517	14.5
57.41300	1.9
65.03945	2.7
67.05495	8.6
68.76984	1.7
69.03420	8.1
69.07064	7.6
70.02789	1.9
71.55497	2.4
79.05496	23.3
81.03428	14.9
81.07066	9.6
83.01363	2.1
83.04990	12.0
83.08646	2.7
89.83376	1.8
91.05488	55.0
93.07050	19.8
95.04971	15.1
95.08601	8.4
103.05465	7.8
105.07037	48.7
107.04948	8.1
107.08610	14.0
109.06502	9.0
109.10175	3.3
114.42303	1.9
115.05464	38.8
116.06237	4.3
117.07030	70.7
119.04965	5.3
119.08584	64.4
121.06470	9.7
121.10135	9.1
123.04411	2.7
123.07992	2.2
127.55776	2.0
128.06247	14.8
129.07010	23.2
130.07834	4.3
131.04913	6.5
131.08574	39.1
133.06490	15.7
133.10138	27.0
135.08064	21.6
137.09691	2.3
141.06975	6.9
142.07787	15.6
143.04817	2.6
143.08577	33.7
144.09212	1.9
145.06494	52.6
145.07628	2.6
145.10133	31.9
147.08055	45.2
147.11670	3.9
149.05888	2.1
149.09633	16.7
151.07500	2.1
152.06085	2.8
153.06995	5.9
154.07779	6.5
155.06004	3.5
155.08562	17.2
156.09344	30.1
157.06500	4.5
157.10136	67.1
158.07304	2.5
158.10799	4.7
159.08092	26.1
159.11691	25.4
161.05992	20.1
161.09608	25.3
163.07555	59.9
163.11185	10.2
165.07001	7.4
165.09140	3.9
166.07753	4.8
167.08553	7.5
168.09337	6.5
169.10129	32.7
170.10918	20.8
171.08075	16.6
171.11705	100.0
172.08817	8.5
172.12152	2.7
173.06006	19.4
173.09628	30.7
173.13260	13.4
175.07565	23.2
175.11104	3.1
177.09102	21.0
179.08572	6.1
180.09291	5.4
181.10133	12.2
182.10875	2.5
183.08064	6.9
183.11710	57.1
183.13231	4.2
184.08873	5.7
184.12291	5.6
185.09656	25.8
185.13271	74.0
186.10435	5.5
186.13614	2.5
187.07544	6.9
187.11191	25.7
189.05463	6.0
189.09154	9.1
189.12790	2.3
191.07098	11.5
191.10693	4.6
192.09367	3.1
193.08583	3.0
193.10132	10.8
193.12070	4.2
194.10896	4.5
195.08177	3.9
195.10086	3.3
195.11693	18.3
196.08797	3.0
197.09584	26.1
197.13327	11.2
198.10374	7.7
199.07501	2.4
199.11188	42.0
200.11954	5.5
201.09129	14.6
201.12720	18.0
203.07031	3.9
203.10664	5.1
205.08519	3.8
205.10188	5.2
205.12204	6.4
206.10838	6.8
207.11734	13.4
208.12505	6.3
209.09605	6.3
209.13350	9.2
210.13959	2.5
211.07477	3.0
211.11148	16.8
211.14749	3.2
212.11922	5.0
213.09174	7.8
213.12741	59.5
215.08752	3.7
215.10654	13.7
217.08423	2.9
217.10182	4.9
217.12268	6.2
218.10909	7.0
219.11719	8.4
219.13641	2.1
220.12299	5.2
221.09724	2.6
221.13391	10.7
222.10503	3.3
222.13890	3.5
223.11177	9.7
223.14796	6.8
224.11986	2.7
225.09183	4.2
225.12727	6.7
227.10724	12.0
229.10188	3.7
229.12227	22.7
230.10907	5.1
231.09959	5.1
231.11757	6.9
231.13719	12.8
232.12440	6.0
233.13512	11.1
233.15353	5.4
234.10336	2.1
234.13983	5.9
235.11127	4.7
235.14825	8.1
236.11975	2.6
237.09183	2.9
237.12738	7.6
237.16502	2.7
239.10692	7.6
239.14410	3.7
241.10188	2.9
241.12297	9.7
242.10884	3.3
243.11668	8.4
243.13829	15.6
244.12474	7.7
245.11400	22.8
245.13280	4.3
245.15404	40.6
246.14085	5.3
247.11040	4.2
247.13319	10.1
247.15163	5.1
248.12172	2.5
249.12704	5.6
249.16405	6.4
251.10625	2.5
251.14284	3.6
253.12244	3.8
255.09720	2.7
255.13872	5.8
256.12469	5.7
257.11810	12.2
258.14072	5.9
259.11032	4.6
259.13297	9.1
259.15195	5.0
260.15662	3.5
261.09119	2.7
261.12619	6.4
261.14853	6.4
261.16818	2.6
263.14380	5.8
265.12299	3.2
265.15887	3.4
267.11581	4.3
269.13046	5.6
270.13953	2.7
271.13297	3.0
271.14761	7.0
272.11478	2.7
272.15921	3.1
273.12445	4.6
273.14822	29.2
274.13580	2.9
275.14334	6.2
277.12170	3.9
277.15771	3.9
279.13757	3.1
280.12390	2.7
281.12973	2.7
282.13943	2.7
283.14691	2.9
285.12479	3.3
285.16202	6.4
286.13455	3.3
287.14468	4.3
287.17725	4.8
289.14664	6.6
291.13733	6.0
291.17212	3.5
296.15533	2.1
297.12631	2.8
297.16135	3.3
298.13431	3.6
299.14175	5.4
299.17514	2.8
300.15079	5.3
301.12271	3.5
301.15857	7.1
303.13815	6.1
303.17419	7.9
305.15247	2.8
305.18604	2.6
313.15790	6.6
314.16644	4.1
315.13785	7.5
315.17453	11.2
316.18002	3.3
317.15341	7.8
317.18973	5.1
319.13464	2.9
319.16907	6.1
321.18448	5.4
325.15930	3.9
327.13812	7.8
327.17358	4.2
328.14673	5.4
329.15280	4.9
329.19025	8.4
330.15765	2.9
331.16919	15.3
332.16357	11.2
333.18692	18.8
335.20184	2.8
339.17117	2.8
342.16055	3.5
343.13223	2.8
343.16949	17.1
344.17819	2.7
345.18411	11.0
347.20129	11.1
349.17908	7.5
355.16772	4.5
357.14569	3.8
357.18512	36.5
359.16382	5.6
360.17102	2.2
361.17923	16.0
363.19376	5.4
373.17990	13.7
375.19556	24.0
377.17331	4.1
385.17908	16.8
387.19592	4.0
389.16800	2.9
389.21112	7.7
391.19012	10.7
393.20425	4.6
395.22089	2.6
401.17477	4.2
402.18222	4.8
403.19049	27.6
405.20612	23.0
407.22574	13.6
409.20197	2.5
417.20627	40.6
419.18222	3.7
421.20172	8.8
423.21652	11.9
433.20059	5.2
435.21713	36.0
437.19507	4.4
439.20810	2.3
451.20947	8.2
453.22861	4.0
463.21085	4.4
469.22284	3.9
477.22549	8.1
481.21881	4.2
495.23907	17.8
537.24603	8.9
555.25702	25.6
555.32965	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	555.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	7.3
55.01866	11.2
55.05514	53.4
56.23349	3.1
57.02347	2.7
62.16587	2.7
67.05504	11.5
69.03433	14.2
69.07070	6.4
69.31339	26.6
79.05502	17.5
81.03428	6.2
81.07065	19.5
81.63692	2.5
83.01345	3.9
83.04991	68.1
91.05488	48.5
93.07049	24.0
95.04987	16.8
95.08609	13.3
97.06524	5.0
99.08102	2.9
103.05486	14.4
105.07040	45.8
107.04954	10.0
107.08602	19.4
109.02901	6.0
109.06523	8.9
109.10131	4.1
111.08125	3.3
111.49625	2.8
115.05437	15.1
116.06236	5.1
117.07024	30.1
119.04945	6.3
119.08595	52.8
121.06496	8.9
121.10111	7.6
123.08067	4.6
128.06242	11.2
129.07024	22.5
130.07758	4.5
131.04929	14.0
131.08577	30.4
133.06548	14.5
133.10150	26.9
133.96844	3.0
135.08075	18.8
137.02377	4.0
137.05971	5.9
141.07027	10.3
142.07826	12.3
143.08569	32.4
144.09349	4.0
145.06497	24.2
145.10132	26.9
147.04382	3.8
147.08058	32.5
147.11679	5.5
149.09671	19.6
151.07541	4.3
153.07011	7.5
154.07747	4.6
155.06004	3.5
155.08575	14.2
156.09358	16.6
156.51826	3.3
157.06506	6.0
157.10146	58.7
158.04031	3.1
158.10898	4.0
159.08069	21.1
159.11700	56.1
161.05972	14.6
161.09669	16.8
163.07556	27.4
163.11209	3.9
165.06970	11.2
165.09169	3.8
166.07809	4.6
167.08591	11.1
168.09285	7.4
169.06526	3.2
169.10124	28.7
170.10934	11.1
171.08078	15.4
171.11696	48.8
172.08820	3.6
173.06061	7.3
173.09653	24.1
173.13281	18.5
175.07591	24.6
175.11188	6.8
177.09088	14.3
179.08575	11.9
180.09319	8.6
181.06525	3.0
181.10069	15.7
182.10757	2.9
183.08136	7.3
183.11717	48.9
185.09630	15.9
185.13251	19.4
186.10402	6.3
187.07603	8.3
187.11189	17.8
189.05473	8.2
189.09119	11.1
191.07021	9.0
191.08636	5.5
191.10634	4.7
192.09349	5.6
193.10150	13.5
194.10922	7.0
195.08119	7.2
195.11734	18.9
197.09598	17.2
197.13318	11.1
198.10287	3.6
199.07545	6.5
199.11237	22.8
201.09134	15.5
201.12708	15.5
202.09920	14.3
203.08693	4.7
203.10558	5.8
205.10165	7.6
206.10918	8.6
207.11745	15.7
208.08817	4.8
208.12550	5.7
209.09612	12.7
209.11383	2.9
209.13301	12.8
210.10330	4.6
211.07542	3.5
211.11205	15.9
211.14662	3.3
211.68398	2.7
213.09123	12.0
213.12708	17.3
215.08846	3.3
215.10701	11.2
216.09390	5.6
217.10324	4.8
217.12209	7.0
218.10899	6.6
219.09950	4.8
219.11763	11.8
220.12572	6.4
221.09668	8.0
221.13248	18.4
222.10356	4.6
222.14101	5.0
223.11176	22.5
223.14859	7.4
225.09122	7.6
225.12759	8.4
227.10654	6.9
229.08502	6.2
229.10353	4.7
229.12149	16.4
230.10912	8.0
231.11694	12.8
231.13881	10.6
232.12514	8.8
233.09528	7.2
233.13271	14.5
233.15373	7.2
234.10307	5.6
235.11302	15.1
235.14859	8.2
236.12061	5.5
237.12697	11.4
238.13614	3.4
239.10713	7.0
239.14444	7.3
241.12239	6.6
243.11726	5.2
243.13922	10.2
244.12488	6.4
245.13409	14.3
245.15459	4.7
246.10313	5.8
246.14046	5.2
247.11172	6.9
247.14912	23.5
248.12073	5.6
248.15552	5.6
249.12756	11.8
249.16394	8.4
251.10739	7.4
251.14415	11.3
253.10052	4.8
253.12364	6.1
255.11740	5.0
256.12399	5.7
257.13409	6.0
258.14056	7.3
259.11136	6.7
260.12094	5.3
260.15610	5.5
261.12686	13.6
261.16412	10.7
263.14310	12.2
263.18146	4.3
265.12424	4.0
265.15979	6.2
266.13028	9.1
269.13257	5.6
270.13928	6.0
271.14896	5.2
273.12793	5.0
273.16510	3.9
274.13467	4.5
275.14291	9.8
275.17889	4.0
277.12219	3.2
277.15790	7.2
279.17294	6.5
281.15390	12.3
283.14774	5.1
285.12775	5.7
285.16626	7.1
286.13660	4.1
287.14392	6.0
287.17786	6.2
288.15091	3.9
289.12256	4.0
289.15805	9.7
290.16776	4.2
291.13763	7.1
293.15454	7.7
299.16425	46.6
301.15875	5.1
303.14063	4.9
303.17493	9.4
305.15317	5.1
307.17090	6.8
311.14056	4.7
312.15344	3.4
313.12207	4.2
313.15768	7.4
315.13809	4.4
317.11826	3.9
317.15399	5.0
317.19080	4.5
318.94318	3.3
319.13214	3.7
319.16864	5.4
321.18469	6.6
327.17188	4.1
329.15292	9.2
331.16916	28.6
333.14908	7.1
333.18488	12.5
335.12704	4.5
335.16370	7.1
338.68576	3.5
339.19766	4.2
343.16983	8.1
345.18500	17.1
347.16336	8.8
349.17825	16.4
355.16702	6.9
359.16443	12.0
361.17993	9.7
363.19501	12.8
367.18976	7.9
371.16284	5.6
373.17996	33.4
375.19629	6.4
377.17429	13.2
379.18863	4.5
383.16415	5.3
389.17419	10.7
391.18951	31.0
401.17545	26.3
405.20584	18.5
407.18118	4.7
407.22659	5.2
409.19907	3.8
419.18570	100.0
421.19989	7.9
423.21628	17.9
433.20044	13.7
437.19626	49.5
451.21210	20.1
455.20914	15.4
469.21997	6.5
519.23480	15.6
537.24951	31.3
555.26038	83.4
555.32959	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22520	2.0
55.01870	3.8
55.05517	30.2
56.94154	2.3
57.03436	9.1
57.07088	11.3
62.79720	2.3
67.05505	12.6
69.07073	32.5
71.08627	9.8
79.05493	19.1
81.03426	2.6
81.07067	19.1
83.04958	2.3
83.08627	31.4
85.10182	3.5
86.97322	2.7
91.05490	6.3
93.07048	31.3
95.04964	5.5
95.08620	32.2
95.09193	4.2
97.06541	4.9
97.10172	20.1
98.20785	5.4
99.04432	3.0
103.78264	2.3
105.07040	6.3
107.04978	7.6
107.08607	22.3
109.10137	4.7
111.11762	2.8
117.07021	7.0
119.08589	8.2
121.06529	3.4
121.10168	15.9
123.78593	2.2
124.50062	1.9
133.10133	3.5
135.11707	38.2
139.07530	2.7
145.10138	24.2
159.11728	2.3
163.11191	43.8
170.46959	2.4
181.12228	5.6
227.12816	47.6
283.15381	35.0
311.25842	84.1
371.21243	2.3
519.36823	100.0
544.43231	2.4
567.04761	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72721	0.4
68.84235	0.4
69.03438	2.9
69.52866	3.0
70.52337	0.5
81.03414	0.8
85.02915	3.1
97.02869	0.6
98.20755	1.0
98.97575	0.5
100.07600	1.0
101.00888	3.9
105.08283	0.5
109.01397	0.7
119.01950	2.5
127.02436	1.1
131.01888	1.0
139.71909	0.4
141.03983	3.0
143.01907	5.5
143.05479	0.7
145.03488	2.3
146.08086	1.9
147.91653	0.4
153.03938	0.4
155.01888	2.7
157.03522	0.4
159.05035	6.4
161.02969	2.8
161.06606	0.8
163.04463	1.0
167.01872	0.6
167.05566	1.7
169.03470	27.5
171.05058	0.8
173.02969	1.6
183.05066	0.9
183.34071	0.5
185.02890	0.7
185.06615	11.2
187.04529	100.0
188.04755	1.0
199.04543	1.7
201.06070	1.7
203.03998	1.5
203.07600	0.9
205.05606	8.7
210.06126	1.8
211.04469	0.7
211.08034	0.5
213.06148	0.8
215.44766	0.5
217.05597	2.0
219.01857	0.5
221.05148	1.5
223.04477	0.4
229.05579	28.2
231.07118	1.4
243.07181	1.5
245.05116	4.4
247.06625	8.2
259.06406	0.7
261.08249	2.4
265.07834	0.6
271.06686	4.4
273.08237	0.6
287.09930	0.7
289.07654	10.7
305.07361	0.7
307.08749	7.2
331.08746	2.1
333.10461	0.5
347.08383	0.5
349.09830	4.1
361.09747	0.6
375.11285	1.7
391.11026	0.5
393.12427	64.0
394.12778	1.2
433.11859	1.4
435.13535	1.7
451.12967	9.4
497.03625	0.5
537.16364	1.0
555.17743	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	554.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12668	4.0
53.03926	6.5
53.50153	4.9
53.50406	4.4
55.01876	10.4
55.05500	12.4
57.03448	6.3
61.02898	6.6
67.05510	30.8
69.03417	17.2
69.07053	13.8
70.06573	10.8
71.04991	9.3
71.55238	6.4
73.02866	5.0
79.05492	28.4
81.03441	23.4
81.07065	38.8
81.65678	5.3
83.04990	11.4
85.02905	24.5
85.06520	6.4
91.05469	24.4
92.05823	5.3
93.07047	27.6
95.04974	26.1
95.08608	30.3
95.09148	4.3
97.02890	16.1
97.06539	20.5
98.06065	5.1
99.04478	6.6
100.07603	13.3
105.07018	35.4
107.04945	19.8
107.08582	19.5
108.08884	5.5
109.02856	10.3
109.06532	11.8
109.10120	16.7
111.04453	5.7
111.08150	5.0
117.07045	8.4
119.04951	4.5
119.08563	37.8
120.08102	4.9
121.06483	12.3
121.10155	22.1
122.03686	5.9
123.04424	27.1
123.08038	9.2
123.11707	6.7
127.03912	13.8
128.06223	5.1
129.06979	12.1
131.04936	9.5
131.08571	38.8
133.06447	11.4
133.10118	21.5
135.04407	8.2
135.08087	5.1
135.11694	12.8
136.06197	42.2
137.05997	54.7
137.09523	5.7
138.06320	7.6
141.07008	6.2
142.07721	7.1
143.08553	21.4
145.04955	5.6
145.06508	10.0
145.10126	15.9
147.08051	19.7
147.11678	8.9
149.05984	10.1
149.09613	10.6
151.03989	5.1
151.07532	17.3
155.08554	15.4
156.09363	17.9
157.06442	6.4
157.10144	20.0
158.07246	5.4
158.10910	7.0
159.08061	27.7
159.11742	12.0
161.06036	29.7
161.09592	12.3
163.07614	10.7
164.07062	20.1
165.07259	10.6
165.09050	6.0
168.09366	6.0
169.10072	10.2
170.10866	7.4
171.07983	6.0
171.11711	43.6
172.08789	10.1
173.09695	22.5
173.13283	15.4
174.06761	6.1
175.07582	9.9
175.11128	7.7
177.05556	5.8
177.09119	11.2
179.07010	18.1
183.08058	7.5
183.11662	20.1
184.08826	11.0
185.06039	8.7
185.09671	11.4
185.13211	5.3
187.07637	6.7
187.11168	5.9
189.05415	5.8
189.09111	18.8
189.12686	8.6
197.09662	10.5
199.07574	4.3
199.11194	36.4
200.11934	5.8
201.09091	9.2
201.12781	25.6
203.07011	12.1
205.08548	6.3
207.11728	5.9
209.09682	5.7
209.13312	6.0
211.11162	8.1
213.09050	6.6
213.12708	12.0
213.14865	8.6
215.10654	7.5
217.08528	22.0
217.12300	11.7
219.10109	46.6
221.13147	6.7
221.89348	4.7
225.12686	5.3
227.10672	58.3
228.11481	5.0
229.08453	6.4
229.12225	7.3
241.12180	8.1
243.10158	9.9
245.09464	7.5
245.11739	100.0
255.10023	8.0
269.11685	13.9
269.21231	6.0
271.22913	6.0
277.15796	6.9
283.13297	5.1
287.12753	26.0
288.14182	13.9
295.17053	6.9
297.18811	4.8
303.11981	4.6
305.13870	10.6
323.16415	13.0
339.15427	4.8
339.25259	5.5
341.17249	8.8
359.16479	8.7
363.15802	10.3
367.06775	5.6
377.17270	9.5
383.18683	10.5
387.15811	9.1
389.16135	10.8
401.19498	11.8
405.16891	22.5
419.20471	9.0
423.18045	46.8
425.18073	30.3
427.80411	5.5
441.19101	38.8
459.19797	7.2
483.20071	22.2
501.21313	51.1
519.22424	22.5
537.23157	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	554.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13520	2.1
53.03937	2.9
55.01871	5.6
55.05508	4.5
57.03450	2.8
60.31590	2.7
64.14066	2.1
65.03946	3.5
67.05513	13.1
69.03431	10.2
69.07067	5.2
70.06615	2.5
70.88177	3.8
70.88519	5.4
71.05010	4.0
71.09465	1.9
79.05499	16.0
81.03415	6.6
81.07065	16.7
83.04971	5.5
84.08170	2.3
84.12674	2.1
85.02909	5.0
85.06544	2.5
91.05485	23.8
93.03424	3.8
93.07033	17.9
95.04979	26.7
95.08613	12.3
97.02885	5.8
97.06525	6.7
100.07581	2.6
103.05466	4.3
105.07036	33.9
107.04960	9.9
107.08598	28.4
109.02868	5.5
109.06510	15.0
109.10167	7.9
111.04411	3.4
115.05440	5.8
117.07024	13.6
119.04961	3.9
119.08591	42.4
121.06521	12.7
121.10154	5.1
123.04425	11.2
123.08073	14.3
125.06008	14.0
127.03981	6.1
128.06247	10.4
129.07002	10.0
130.07777	2.8
131.04930	3.1
131.08583	17.5
133.06502	12.7
133.10118	35.8
134.07217	2.8
135.08054	38.8
135.11670	3.2
136.06177	3.7
137.05995	36.4
137.09634	8.9
139.03857	3.5
141.05519	2.8
141.06996	3.7
142.07838	3.3
143.08597	21.0
145.06499	15.7
145.10123	8.7
146.07204	3.4
146.25883	2.1
147.04453	5.0
147.06921	4.8
147.08063	65.5
147.09225	4.6
147.11679	4.7
149.05992	6.1
149.09610	6.9
151.03914	6.5
151.07571	9.6
153.05490	41.1
153.06798	3.2
155.08540	5.9
157.10132	8.2
159.04509	2.2
159.08069	24.6
159.11681	5.6
161.05974	8.8
161.09625	48.9
162.06749	4.1
163.06334	3.0
163.07564	16.3
165.05490	3.1
165.09100	4.5
167.07077	2.4
168.09422	3.2
169.06490	3.3
169.10126	4.4
171.08017	18.1
171.11705	2.2
173.06032	7.2
173.09660	10.3
175.07510	10.1
175.11192	2.9
177.09143	5.4
179.07019	3.7
179.10612	2.2
181.10060	2.6
183.07999	4.6
183.11778	4.0
184.08873	2.6
185.05975	5.5
185.09584	12.0
187.07492	10.7
189.09120	60.0
191.07039	3.6
192.77042	2.3
195.08083	2.3
195.10132	3.7
197.09613	4.1
199.07529	9.0
199.11084	5.2
201.09105	7.2
203.07014	11.1
203.10715	5.0
205.08624	7.0
207.10156	5.1
207.11855	2.7
211.11227	5.2
213.09077	5.9
213.26660	2.4
215.10742	4.7
217.08591	20.3
217.12190	4.6
219.10063	5.3
220.12531	3.7
221.09821	3.2
221.11656	4.2
223.11273	2.8
227.07042	2.9
227.10733	4.1
229.12241	3.8
231.10184	7.9
235.09503	16.9
237.12859	4.1
241.08426	4.2
245.07874	2.5
246.10461	2.9
249.09000	4.0
249.11195	35.0
249.13374	2.9
253.14374	3.4
261.12955	3.7
263.14343	3.6
267.12265	100.0
277.12057	3.3
279.13901	3.6
283.13068	2.9
285.13153	3.4
289.12259	2.7
293.11771	3.3
295.17065	2.7
303.13864	3.1
304.14224	2.6
307.13168	2.3
312.11334	2.8
323.16348	3.9
339.15887	4.9
351.16010	3.0
360.29947	3.2
361.14505	3.5
363.15982	3.1
369.15433	2.7
371.20319	2.9
377.16354	3.6
381.17090	5.2
383.18497	11.5
387.15903	3.3
395.16968	2.3
399.17828	5.9
400.18698	3.1
401.19711	10.7
405.16983	7.0
421.16064	2.4
423.18106	4.9
429.16681	2.8
433.16531	6.3
437.19617	4.5
439.17767	4.4
441.19086	4.3
447.18076	5.3
451.18008	3.9
455.20636	2.8
465.19205	24.3
465.31720	2.1
483.20187	31.3
501.21201	15.2
519.22131	9.4
537.23340	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	554.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.3
57.03421	0.5
58.12180	0.3
59.50262	0.2
61.02924	0.5
67.05492	0.6
69.03423	0.9
69.60420	1.9
71.04982	0.3
79.63414	0.2
81.03423	0.9
81.07063	0.7
85.02903	2.8
87.00842	0.3
91.03986	0.3
91.05468	0.9
93.07049	0.5
95.08598	0.4
97.02893	0.9
97.06546	0.4
103.05467	0.5
104.07150	0.3
107.08604	0.3
115.05467	0.9
117.07011	0.6
119.04956	0.3
119.08574	0.5
127.03912	0.7
128.06230	0.9
129.07016	7.1
131.04919	1.0
131.08578	6.6
136.06187	0.6
137.05984	3.7
141.06990	4.9
143.04994	0.5
143.08525	0.4
144.05688	0.7
145.04956	0.4
145.06482	1.0
145.10207	0.4
146.07251	0.7
147.28404	0.3
151.07550	1.3
157.06512	6.8
158.07278	1.6
159.04373	0.4
159.08073	6.0
160.05173	0.7
161.05960	0.4
161.09679	0.6
163.07520	0.8
164.07111	0.4
168.05708	0.3
169.06473	2.7
169.07637	0.3
170.07269	1.2
171.08054	0.5
173.06017	0.4
173.09708	0.3
174.06773	12.5
175.07597	2.6
177.09059	0.6
181.78168	0.3
186.06775	3.0
187.07530	0.6
188.08321	0.9
189.09116	24.8
191.06985	0.4
191.10600	1.6
201.09117	9.4
203.10645	0.7
207.10185	0.9
209.52226	0.3
215.10623	0.5
219.10173	100.0
220.10512	0.5
227.16505	0.6
233.11726	2.8
237.11192	0.9
253.17917	0.3
381.15369	1.1
395.16779	0.3
397.13898	0.6
405.50360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.8
55.01864	6.2
55.05504	5.1
63.81578	5.2
67.05492	14.8
69.03420	12.4
69.07057	9.1
70.06579	7.2
79.05489	20.6
81.03407	18.0
81.07037	20.5
81.07470	4.9
83.04966	5.6
84.08156	5.5
85.02892	12.8
86.09679	5.7
90.56559	4.3
91.05473	24.1
93.07047	17.6
95.04967	25.3
95.08613	17.3
96.08896	4.6
97.02882	6.7
97.06519	17.8
98.21548	7.7
100.07645	9.2
103.03898	6.2
105.07030	25.3
107.04958	12.6
107.08598	11.7
109.02905	5.9
109.06525	11.8
109.10165	13.1
111.04488	4.9
115.05486	4.8
119.08585	36.9
121.06510	10.3
121.10146	13.9
123.04449	22.1
123.08098	10.0
123.11671	4.9
127.03969	8.4
129.07062	6.8
131.08595	26.5
133.06480	14.5
133.10117	19.6
135.04388	13.1
135.08054	11.2
135.11691	6.1
136.06133	5.3
137.05978	27.0
141.07010	6.8
142.07791	8.1
143.08551	13.4
144.09308	5.3
145.06516	12.9
145.10118	17.1
147.08025	16.7
147.11749	8.0
149.05989	12.9
149.09666	7.5
151.07564	13.7
153.05508	5.2
153.34857	5.0
155.08545	7.4
156.09361	15.3
157.10120	15.4
159.08069	25.3
159.11708	6.5
161.05995	20.5
161.09676	11.8
162.14830	5.3
163.07521	9.6
164.07068	13.6
165.07185	6.6
167.08554	6.8
169.10153	12.7
171.08160	10.4
171.11690	32.5
172.08827	10.4
173.09669	22.6
173.13258	25.0
175.07573	9.3
175.11134	5.8
177.05473	8.7
177.09178	5.4
177.12915	4.3
179.07068	9.6
180.09320	5.5
181.06378	5.1
181.10098	7.0
183.08151	4.5
183.11749	6.9
184.08846	8.2
184.12424	4.9
185.09581	10.5
185.13316	9.7
186.10484	8.8
187.07645	8.8
187.11116	8.2
189.05432	5.4
189.09145	13.9
189.12703	7.8
192.09384	5.0
193.10144	9.5
195.11644	6.7
196.08907	4.8
197.09657	17.7
199.07584	7.3
199.11220	34.4
200.11848	6.5
201.09192	5.2
201.12747	27.9
203.07072	10.3
207.11783	8.1
209.03683	4.3
209.09674	8.8
210.10187	5.0
211.11099	15.9
213.09071	6.4
213.12746	8.0
215.10794	12.5
217.08662	23.5
217.12271	10.3
219.10098	43.9
219.11679	4.7
221.13243	7.2
222.10316	4.3
223.11119	4.9
225.08998	5.3
225.12791	9.7
227.10666	43.8
227.14314	4.4
229.08452	5.3
229.12241	11.7
235.20348	6.3
241.12364	7.9
243.95100	5.4
245.11716	100.0
249.16504	8.5
263.12921	6.5
269.11789	13.1
269.21072	5.0
287.12848	26.2
288.14828	5.3
295.16965	8.1
303.12265	9.5
305.14017	8.8
323.16614	11.7
329.13763	9.6
335.16562	5.2
341.17514	14.1
345.15012	5.5
349.18103	6.8
359.16360	6.4
377.17349	9.1
389.15982	7.7
401.19568	15.8
405.17026	16.7
419.20856	10.4
423.18011	44.5
425.18005	24.8
441.19080	34.8
450.19885	6.2
459.20377	7.8
483.20248	30.4
501.21091	55.1
519.21948	23.9
537.23572	15.0
554.26257	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	553.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37086	1.9
50.69101	1.7
53.03940	3.3
55.01863	2.9
55.05512	32.7
55.55222	2.0
55.85973	1.8
57.07069	3.1
60.42644	1.6
67.05513	20.4
69.03432	5.8
69.07078	11.9
71.04974	2.3
71.55647	2.6
79.05504	31.4
81.06585	4.4
81.07064	80.7
83.04988	50.4
83.08614	5.7
85.06551	3.8
89.06011	2.2
91.05486	22.1
93.07056	33.4
95.04955	6.3
95.08062	2.5
95.08617	37.7
97.06527	3.4
97.10179	3.6
104.26881	2.0
105.07035	34.3
107.08603	37.7
109.06525	33.7
109.10163	20.5
111.08104	2.4
115.05407	3.2
117.07007	9.7
119.08587	39.9
121.06487	4.1
121.10143	36.4
123.08059	7.3
123.11721	15.2
125.09629	2.1
129.06996	8.7
131.08575	22.3
133.10158	30.1
135.08061	11.6
135.11693	26.8
137.09566	4.7
137.13261	3.8
139.07588	3.7
141.07033	2.4
142.07797	4.7
143.08582	16.7
145.10143	27.0
147.08015	2.9
147.11700	19.5
149.09647	13.8
149.13264	7.4
151.11174	3.6
153.33591	1.9
155.08545	5.8
156.09328	3.0
157.10161	20.7
157.62859	1.9
158.10921	2.5
159.08040	3.4
159.11713	27.0
161.09622	8.1
161.13261	14.0
163.11160	4.7
163.14854	4.1
165.12769	3.2
169.10167	7.8
171.11691	14.6
173.09615	6.8
173.13240	20.0
175.11237	4.2
175.14845	10.8
177.12764	2.0
179.14258	2.7
181.10103	5.3
183.11745	12.4
185.13290	14.8
187.11221	4.4
187.14828	15.7
189.12776	3.5
189.16357	13.3
191.18011	3.1
193.12250	4.9
195.11760	2.6
197.13243	7.7
199.14853	12.3
201.12729	5.7
201.16364	18.4
203.14337	5.9
203.17932	7.1
205.15913	2.8
209.13269	6.7
211.14833	7.3
213.12790	2.5
213.16428	8.3
215.14499	4.0
215.17978	19.6
217.15845	5.2
223.14847	4.7
225.16379	6.4
227.14317	8.8
227.17831	10.6
229.15837	3.0
229.19481	13.0
231.17413	2.7
231.21107	3.9
233.15488	2.7
237.16393	3.0
241.15881	3.9
241.19498	4.3
243.21074	3.6
245.15388	4.5
245.22588	2.4
251.17914	4.8
253.15778	2.3
253.19478	3.9
255.21104	6.7
257.22702	3.4
263.18073	2.6
271.20535	3.8
273.22122	17.3
281.18878	2.6
293.22650	4.8
295.24280	5.4
311.23492	2.2
313.25092	3.8
319.24323	4.8
335.27328	3.0
337.25201	5.2
339.27124	3.0
345.25995	2.6
351.26556	2.3
363.26859	31.8
381.27859	44.4
395.29468	3.6
413.30533	7.9
417.31448	5.6
423.17468	2.0
435.32626	25.0
451.32135	3.3
453.33646	14.0
463.32147	29.7
481.33197	100.0
517.36725	3.5
535.37891	19.1
553.32294	6.8
553.39630	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	553.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.3
55.05514	16.6
55.22097	1.5
57.07080	3.8
57.95435	1.7
58.95794	1.4
62.89891	1.5
64.38763	1.5
67.05509	18.2
69.03429	2.7
69.07065	8.3
71.04979	4.3
71.08635	1.6
71.15821	2.4
79.05498	27.5
81.07061	87.3
82.06616	1.5
83.05000	27.6
83.08613	4.1
85.06540	2.5
85.32330	1.6
86.93738	1.8
91.05483	21.7
93.07051	23.6
94.06568	3.0
95.05000	2.2
95.07388	1.8
95.08611	22.4
97.06535	2.7
97.10154	1.5
104.01976	1.3
105.07030	23.5
107.08599	25.0
109.06525	33.9
109.10143	14.2
117.07018	8.6
119.08586	26.7
121.06488	3.0
121.10151	19.9
123.08078	3.6
123.11726	11.2
128.06245	2.6
129.07016	5.7
130.07809	1.7
131.08566	12.5
133.06441	2.7
133.10126	20.9
135.08069	9.6
135.11707	13.0
137.09668	3.0
137.13251	5.9
141.07054	1.9
142.07788	2.6
143.08551	8.2
144.09424	1.7
145.10120	15.9
147.08002	2.3
147.11676	9.9
149.09625	11.0
149.13268	3.4
151.07547	1.9
151.11130	2.0
155.08553	4.4
157.10120	16.5
158.10928	2.2
159.11713	15.9
161.09642	2.9
161.13271	10.1
163.11197	3.6
163.14839	2.6
165.12759	1.6
169.10143	4.4
171.11745	8.6
173.09464	1.6
173.13261	13.8
175.11151	2.2
175.14813	7.5
177.12741	2.0
179.10625	2.5
181.10146	4.5
183.11693	6.9
185.13287	10.6
187.14787	9.0
189.16350	6.0
191.10707	2.0
191.14168	2.1
193.12274	5.0
195.11685	4.4
197.13298	4.9
199.14883	9.2
201.12721	4.1
201.16432	8.3
203.14403	2.2
203.17975	2.7
209.13248	3.6
211.14896	3.4
213.16408	4.9
215.14340	1.9
215.18053	7.5
223.14923	2.1
227.14355	4.7
227.17896	5.6
229.16077	1.9
229.19490	9.6
231.21117	3.1
237.16472	2.6
241.19621	2.7
243.21103	2.6
245.15450	3.7
245.22615	2.7
249.16446	2.6
251.17863	2.2
255.21133	6.1
260.23376	1.8
262.25378	9.4
263.25610	8.4
271.20483	2.3
273.22183	18.4
293.22635	3.4
295.24188	4.7
319.24258	4.0
321.25598	1.7
335.27313	3.3
337.25217	6.2
353.28452	2.7
363.26703	13.4
381.27902	44.1
393.28055	2.1
395.29260	2.0
417.31488	2.6
435.32516	8.3
453.33670	3.1
463.32138	24.3
481.33167	100.0
517.36261	1.9
535.37524	5.4
535.48999	2.2
553.38940	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	553.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.7
55.05514	35.3
56.40362	2.9
57.07084	4.4
67.05515	21.5
68.11570	3.1
69.03430	7.5
69.07072	15.1
69.19180	31.2
71.04979	4.9
71.95010	3.1
79.05493	35.0
81.03435	3.3
81.07062	92.7
83.04493	4.0
83.04990	58.1
83.08627	8.2
85.06573	3.9
91.05482	29.2
93.07054	47.0
95.04962	6.1
95.08624	43.5
97.06556	7.9
105.07040	50.3
107.08606	63.1
109.06529	37.9
109.10165	23.9
111.08161	4.1
117.07038	13.0
119.08592	55.3
121.06508	4.7
121.10152	43.9
123.08096	9.2
123.11722	17.6
125.09575	3.1
129.07071	9.1
131.08594	33.2
133.10147	39.4
135.08087	12.5
135.11700	34.3
137.09589	3.4
137.13249	8.7
142.07755	5.0
143.08582	17.8
145.06502	3.9
145.10115	39.1
147.11694	31.6
149.09634	15.7
149.13254	10.7
149.86855	3.0
151.11214	4.6
155.08585	8.9
156.09334	5.0
157.10118	32.1
158.10930	3.4
159.08102	5.0
159.11711	44.1
161.09627	6.7
161.13257	16.7
163.11269	7.1
163.14848	6.0
165.12770	4.1
166.86298	3.9
169.10176	12.1
170.10950	3.3
171.11642	20.2
173.09673	8.9
173.13278	24.2
175.11200	11.0
175.14821	17.7
177.16428	3.8
179.14201	4.0
181.10182	4.9
182.10938	3.3
183.11734	16.2
185.13295	21.6
187.14819	19.8
189.12805	5.3
189.16354	22.0
191.14462	3.1
191.17987	4.5
193.10181	4.3
193.12263	7.0
195.11739	6.6
197.13315	12.9
199.14807	17.5
201.12772	9.1
201.16458	17.9
203.14365	6.3
203.17911	4.3
207.11897	3.6
209.13321	8.9
211.14893	10.2
213.16426	8.5
215.14412	4.8
215.17998	22.7
217.15834	7.8
221.13318	3.9
223.14880	6.8
225.16487	6.9
227.14398	11.1
227.17889	8.2
229.19565	10.0
231.21176	5.1
233.15413	4.2
237.16364	5.3
239.17905	6.2
241.15875	3.6
243.21199	4.4
245.15474	4.0
249.16505	4.2
251.18016	6.4
253.19681	7.0
255.21136	11.4
263.18118	3.5
271.20682	3.0
273.22076	16.2
293.19119	4.8
293.22522	6.4
295.24298	8.2
319.24249	4.8
335.27582	3.5
337.25168	7.4
363.26801	37.4
381.27853	49.7
395.29391	6.8
413.30304	4.3
417.31503	9.7
435.32736	38.4
453.33527	20.1
463.32007	30.4
481.33176	100.0
504.10681	3.2
517.37012	6.0
535.37817	24.6
553.31311	6.4
553.39099	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	553.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.0
55.05516	73.1
57.07069	6.8
59.04999	2.6
62.16483	3.4
65.03961	3.6
67.05514	28.8
69.03438	18.9
69.07076	18.4
69.19146	23.0
71.04978	7.1
73.06571	4.1
79.05501	34.2
81.03410	7.0
81.07059	63.4
83.04485	4.9
83.04989	100.0
83.08610	9.7
85.06514	5.5
85.55589	2.3
86.09697	3.1
90.47981	2.5
91.04967	4.2
91.05484	42.2
93.06468	5.0
93.07040	63.3
95.04979	14.0
95.08609	79.0
97.06583	12.2
97.10155	6.7
99.08084	3.6
101.05968	3.0
104.10715	4.9
105.07039	59.4
107.04958	3.2
107.08605	87.0
109.06532	24.2
109.10162	50.6
111.08068	6.7
113.05978	2.8
115.05406	3.6
116.07037	3.5
117.07030	19.7
119.08587	96.1
121.06522	8.5
121.10151	85.3
123.08089	14.8
123.11725	33.6
125.09634	6.0
128.06218	5.5
129.06993	8.5
130.07776	6.5
131.08572	54.0
133.06485	4.6
133.10139	74.0
135.08054	11.3
135.11699	50.3
137.05984	3.3
137.09625	6.3
137.13268	15.8
139.07504	5.0
141.06984	5.0
142.07764	11.2
143.08551	34.9
144.09326	5.0
145.10130	61.3
147.07997	9.2
147.11700	38.2
149.09602	7.9
149.13271	15.9
151.11186	4.9
155.08571	12.1
156.09367	9.0
157.10143	43.6
158.10921	5.8
159.08093	5.7
159.11711	60.7
160.12526	2.6
160.29662	2.6
161.09636	20.0
161.13258	25.9
163.11157	10.6
163.14804	7.5
165.12750	2.9
167.08598	5.7
168.09267	3.7
169.10135	16.3
170.10924	5.7
171.11687	26.2
172.12518	4.0
173.09683	19.9
173.13284	39.8
175.11186	11.8
175.14815	26.6
177.12730	6.2
177.16382	8.3
179.08490	4.4
179.14322	7.0
181.10094	8.6
183.11708	22.5
184.07368	5.2
185.13266	30.0
187.11188	7.7
187.14836	31.2
189.12743	6.1
189.16422	29.9
191.10638	3.1
191.14285	6.9
191.17970	6.0
193.10156	4.1
195.11748	13.5
196.12430	3.8
196.70657	3.1
197.13287	19.3
199.14845	33.0
201.12781	6.6
201.16408	47.8
203.10742	4.2
203.14330	10.5
203.17995	13.1
205.15851	6.9
207.11656	5.9
209.13225	8.4
211.14825	20.5
213.12892	3.8
213.16406	13.9
215.14308	11.2
215.17911	38.8
217.15878	11.9
219.11813	3.3
219.13754	4.0
221.13210	6.1
223.14856	7.0
225.12823	5.6
225.16324	13.1
227.14369	19.3
227.17970	18.4
229.15874	7.0
229.19414	12.2
231.17413	8.7
231.21109	3.7
233.13232	3.1
233.15356	7.2
235.14777	5.3
237.16405	8.9
239.14421	3.6
239.17918	9.5
241.15944	8.0
241.19518	7.0
243.17386	3.0
243.21101	7.3
245.15443	20.5
247.16907	6.6
249.16313	4.2
249.18608	3.0
251.17950	5.8
253.15773	2.9
253.19531	7.4
255.17363	3.3
255.21106	7.8
257.22626	3.6
261.16348	4.6
263.17862	5.8
265.19586	5.9
267.17535	3.5
273.22025	5.2
275.17899	3.6
277.19489	4.8
279.21155	4.9
281.19040	5.4
281.22418	3.3
289.19235	3.9
293.22610	10.4
295.20905	4.1
295.24155	24.9
311.23697	4.2
313.21719	5.3
313.25189	11.0
315.23303	4.2
319.24219	12.6
321.25577	5.3
323.23907	4.3
333.25580	6.2
335.27249	8.7
337.25201	5.6
339.26968	3.5
345.25677	10.4
353.28357	8.1
363.26862	78.2
381.23181	4.1
381.27875	56.5
393.27829	6.0
395.29416	9.6
407.33063	5.7
411.28781	5.4
412.39914	2.7
413.30609	20.3
417.31760	13.5
419.29385	3.8
435.32574	62.0
451.32361	3.0
453.33658	30.5
463.32156	41.9
481.33173	64.3
481.69186	3.1
517.37054	12.0
535.37817	58.8
553.38983	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02549	0.4
53.03943	0.6
55.01871	0.5
55.05511	1.3
57.03420	0.7
57.07067	0.9
62.13717	0.4
67.05510	3.4
69.03426	0.6
69.07063	1.7
71.55237	0.4
79.05117	0.4
79.05500	2.6
81.03413	0.7
81.07069	4.3
83.01089	0.6
83.05000	1.2
83.08621	0.7
85.06540	0.5
91.05492	2.6
93.07059	4.6
95.04982	0.9
95.08620	4.4
97.06538	0.9
103.05483	0.7
105.07047	4.2
107.08613	6.4
109.06519	1.6
109.10169	3.1
111.08109	0.5
117.07075	1.0
118.06498	0.4
118.13770	0.5
119.08600	4.8
121.10172	3.4
123.11720	0.9
129.07011	1.0
130.93933	0.4
131.04947	0.8
131.08588	2.2
133.10126	3.6
135.08076	0.5
135.11697	3.9
142.07722	0.6
143.08617	2.1
144.09619	0.5
145.10130	3.5
147.08118	0.8
147.11707	1.9
149.09651	0.9
149.13286	0.8
155.08592	0.5
156.09366	0.5
157.10158	2.4
159.11732	4.1
161.09651	1.3
161.13293	2.0
169.10207	0.9
170.11070	0.5
171.11700	2.1
173.13203	2.2
175.11252	0.7
175.14903	1.2
183.11763	1.5
184.12564	0.5
185.13303	1.5
187.14873	1.5
189.12743	0.5
189.16364	0.8
195.11716	0.8
197.13293	1.2
199.14880	1.2
201.12752	0.9
201.16400	1.1
213.16341	0.4
223.14967	0.5
225.16310	0.7
227.18018	0.7
229.16011	0.8
241.15703	0.5
261.16443	0.5
261.32510	0.5
271.85760	0.5
295.24530	0.5
360.24258	0.5
383.24200	0.9
434.47333	0.5
493.32956	26.5
536.94476	0.5
553.35052	100.0
554.35547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	25.6
57.07055	4.7
66.72430	3.3
67.05500	18.4
69.07063	7.6
71.56714	3.9
79.05479	21.3
81.03424	4.7
81.07070	19.5
83.04991	33.2
83.08614	4.1
89.06039	9.5
91.05505	19.5
93.07043	32.9
95.04932	5.1
95.08617	25.8
97.06507	3.5
105.07027	27.5
107.08596	27.0
109.10152	7.6
115.94344	3.5
117.07012	7.9
119.08573	25.6
121.10141	17.3
123.11764	5.5
124.39474	4.5
129.06996	6.4
131.08582	19.3
133.08615	9.0
133.10138	18.5
135.11688	11.0
143.08565	10.7
145.10165	20.0
147.08064	6.0
147.11673	5.3
154.07693	4.6
155.08473	4.1
156.09354	5.2
157.10124	15.6
159.11720	13.7
169.10153	13.9
170.10924	4.3
171.11690	21.3
173.13220	9.4
177.44949	4.0
181.10141	10.0
183.11691	18.5
185.13220	11.4
187.11160	4.2
187.14809	11.2
193.10168	6.8
195.11690	20.9
197.13300	20.8
199.11147	7.9
199.14845	4.2
201.12939	4.5
207.11673	12.9
209.13303	11.3
211.14804	16.1
213.12808	6.0
215.14371	7.7
217.12239	3.9
221.13249	11.0
223.14914	12.8
225.16281	4.3
231.13841	14.7
235.14880	6.7
237.16388	9.4
247.14845	4.2
249.16544	7.9
251.17937	6.5
261.16425	6.0
263.17825	4.2
265.19382	4.4
275.18045	4.9
277.19565	20.8
291.21030	7.0
293.19031	7.3
305.22656	13.1
307.24033	9.0
317.22653	25.3
318.75732	4.4
335.23663	78.4
351.85849	4.0
353.24741	100.0
371.39523	3.5
553.39362	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	553.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01880	12.5
55.05307	2.0
55.05517	24.4
57.07067	4.1
58.84782	1.7
63.73408	2.1
67.05517	11.5
67.65330	1.7
69.03430	7.5
69.07065	5.4
70.41997	2.3
70.42349	6.2
70.94698	1.8
74.09709	2.8
79.05492	8.0
81.03424	9.7
81.07065	9.0
83.04989	24.8
83.08630	3.3
91.05486	22.0
93.07040	10.3
95.04972	10.8
95.08634	11.1
97.06525	2.4
102.50137	2.1
103.05494	4.9
103.42481	1.6
105.07043	23.8
107.04938	3.1
107.08603	10.5
109.06545	3.1
109.10166	13.9
115.05441	3.9
116.06188	1.7
117.07022	16.3
119.08594	29.2
121.06509	5.3
121.10143	19.7
121.39510	1.9
121.51888	1.8
123.08061	2.4
127.35144	1.8
128.06245	4.8
129.07019	20.1
131.04945	2.9
131.08562	12.1
133.06522	2.3
133.10139	19.7
135.08043	3.1
135.11714	2.6
137.09671	2.0
141.07034	3.8
142.07787	4.2
143.08574	12.2
145.06480	6.3
145.10136	34.1
147.08052	92.2
147.11665	10.5
149.09618	4.2
155.08588	7.4
156.09335	6.9
157.10150	11.6
159.08040	9.0
159.11697	14.0
161.09607	17.2
161.13309	4.7
165.07002	8.3
166.07770	4.5
167.08569	7.1
169.10124	7.3
170.10913	1.9
171.07993	4.9
171.11688	14.2
173.06136	1.9
173.09694	12.4
173.13278	6.7
175.07619	3.1
175.11186	3.8
177.09113	3.0
179.08563	5.7
180.09352	3.4
181.10098	12.0
182.10925	4.3
183.11699	9.3
185.09651	3.8
185.13229	6.0
187.11217	7.7
187.14839	21.7
189.09099	5.9
191.08549	2.9
192.09267	2.7
193.10162	9.0
194.10944	3.2
195.11674	10.0
196.12381	1.9
197.13290	8.7
199.11185	4.2
199.14812	3.3
201.16399	4.6
202.07724	2.4
203.08566	2.3
204.09302	2.6
205.10129	3.2
205.15874	3.8
206.10922	5.7
207.08066	2.2
207.11769	4.1
208.08809	4.1
209.09721	4.6
209.13289	3.6
210.10448	2.0
211.11163	7.1
211.14851	3.2
213.16248	3.0
215.14284	11.5
216.09279	3.5
217.10165	3.2
217.15938	2.8
218.10918	2.3
219.08157	3.3
219.11746	4.8
220.12567	2.1
221.09645	3.3
221.13269	9.0
223.11203	22.9
223.14709	4.0
225.12744	5.0
229.12238	3.1
230.10852	4.4
231.11700	9.2
232.12347	3.1
233.09540	4.1
233.13286	4.9
233.15353	3.1
234.10460	4.4
235.11299	4.3
237.12695	10.6
239.10617	3.6
243.11720	3.6
244.12495	3.6
245.13232	5.1
245.15508	3.3
247.11243	6.6
247.14781	4.0
247.17038	3.4
248.11958	2.3
249.12779	22.5
257.13358	2.5
258.10266	2.4
259.11050	2.4
259.14911	4.2
260.12091	2.8
261.12656	8.8
263.14282	17.2
265.15891	3.4
269.13351	2.6
270.14093	2.6
271.11160	3.3
271.14868	4.2
272.11960	4.5
273.12714	5.5
275.16730	4.8
283.11172	2.6
284.12003	1.9
285.12769	4.0
285.16373	3.5
286.13544	4.4
287.14511	14.2
288.15048	3.2
289.15771	5.0
289.19394	3.4
299.14331	11.0
301.15863	6.5
313.15826	8.1
314.16617	7.1
315.17352	8.2
327.17450	10.6
328.18198	4.4
329.18619	2.6
333.22128	2.4
342.19760	9.8
345.18661	3.8
347.23880	3.4
353.19012	2.5
357.22144	100.0
371.20096	4.0
375.23203	54.9
389.21069	6.1
393.24338	9.8
407.22183	4.4
433.31009	2.4
435.25345	40.4
453.26144	3.0
475.28488	7.7
535.31183	28.7
553.35059	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06639	0.7
53.03936	2.6
55.01866	1.4
55.05514	41.2
57.07073	2.0
61.51659	0.8
63.50104	0.9
65.03925	1.1
67.05492	3.4
69.03423	2.2
69.07063	1.6
69.45485	5.8
79.05502	7.2
81.03424	8.7
81.07073	4.2
83.04984	62.6
83.08629	1.3
91.05491	9.0
93.07036	6.2
93.83057	0.7
95.04961	5.5
95.08592	4.8
97.10169	0.9
103.05498	1.1
105.07027	8.8
107.04980	5.0
107.08595	6.7
109.06541	5.3
109.10157	2.2
117.07030	4.1
119.08588	7.3
121.06499	3.4
121.10133	4.1
123.08066	1.5
123.11713	1.9
125.09626	1.7
128.06248	2.0
128.19965	0.9
129.06982	1.4
130.07828	1.1
131.04958	1.9
131.08580	4.0
133.06503	2.6
133.10136	8.9
135.08052	4.4
141.06981	1.3
142.07793	1.6
143.08522	4.5
145.06479	2.3
145.10123	5.8
147.08055	10.9
147.11736	1.6
149.09607	3.0
151.22105	0.9
155.08569	2.4
156.09296	1.2
157.10132	4.7
158.07317	1.4
159.08069	7.1
159.11696	4.7
161.09622	15.4
161.13243	1.0
167.08586	1.7
169.10132	3.3
170.10880	2.0
171.08015	3.1
171.11662	3.9
173.09636	20.7
173.13266	3.9
174.10461	1.1
175.11131	3.3
175.14835	1.3
179.08589	1.2
181.10136	1.4
183.07988	1.5
183.11687	3.2
185.09642	9.0
185.13242	4.8
186.10422	1.7
187.11188	5.4
187.14772	3.2
189.09210	1.1
189.12735	2.7
193.10126	1.3
195.08139	1.2
195.11742	1.4
196.08754	1.1
196.12450	1.0
197.09663	5.0
197.11160	0.8
197.13303	2.4
198.10344	1.7
199.11172	9.4
199.14856	1.4
200.11917	2.4
201.12753	3.4
203.14287	7.3
206.10765	1.1
207.11633	1.6
209.09618	3.6
209.13303	1.7
210.10365	2.2
211.11227	7.9
211.14841	1.9
212.11827	1.1
213.12761	9.4
215.14304	14.5
217.12325	1.4
217.15886	1.4
221.13277	1.4
223.11241	2.9
223.14868	1.4
224.11961	4.5
225.12753	8.8
225.16368	1.5
227.14293	2.8
231.13736	3.5
233.13261	1.6
233.15367	4.5
235.11032	1.4
235.14964	1.5
237.12743	3.7
238.13545	2.9
239.14291	7.9
241.15868	12.3
245.15355	1.7
249.12689	1.8
251.14415	3.9
253.15898	14.6
255.13876	1.0
263.10635	1.2
263.14273	1.2
265.15823	1.7
266.16354	1.1
267.17432	3.4
268.18109	0.9
277.15958	1.0
278.12897	1.3
279.17392	1.9
281.19064	5.8
289.15915	0.9
291.17291	1.0
293.64490	0.8
295.17194	1.7
305.15274	1.0
307.16891	8.5
307.20514	4.8
315.17355	1.0
317.18826	0.9
319.16956	2.6
325.21490	1.2
331.16937	2.0
331.20477	0.9
332.21396	1.2
333.18530	7.7
346.18893	1.2
347.23798	4.7
357.18408	0.8
357.22055	4.9
360.20822	1.1
365.24716	11.1
370.56699	0.8
375.23206	100.0
376.23621	1.7
393.24261	25.8
396.09512	0.8
453.25830	1.5
461.51712	0.9
475.28400	1.4
500.14862	0.8
553.31750	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44132	2.4
53.03947	5.7
55.01880	21.3
55.05519	61.6
58.18260	2.3
65.03938	6.0
67.05514	14.5
69.03442	5.8
69.07050	7.6
71.05000	3.1
71.55126	3.0
71.55503	3.6
73.46825	2.2
78.53593	2.3
79.05496	21.2
81.03423	13.5
81.07067	13.5
83.04991	100.0
83.08605	2.6
91.05495	45.9
93.07055	19.6
95.04974	33.0
95.08606	6.7
97.06526	3.8
103.05473	40.5
105.04507	2.6
105.06380	4.3
105.07040	51.0
107.04930	8.1
107.08600	22.1
109.06524	12.4
109.10153	5.5
111.08109	4.2
115.05457	38.4
116.06210	5.1
117.07033	54.7
119.04947	4.8
119.08596	63.5
121.06512	9.9
121.10143	6.5
123.08115	3.1
128.06219	15.9
129.07014	25.8
130.07753	6.5
131.04941	90.7
131.08598	33.3
133.06512	16.2
133.10139	31.8
135.04373	3.7
135.08052	16.9
137.06067	2.4
137.09648	3.8
141.07024	14.0
142.07790	15.0
143.04948	12.9
143.08572	38.3
144.09358	3.2
145.06500	50.0
145.10139	30.7
147.06934	4.6
147.08063	75.6
147.11702	5.6
149.06000	3.2
149.09636	17.6
153.06976	9.6
154.07782	8.1
155.08568	28.7
156.09360	26.2
157.06496	7.4
157.10141	52.9
158.07309	5.7
159.04405	2.9
159.08070	29.0
159.11713	17.1
161.06029	22.1
161.09637	39.4
163.07562	66.1
163.11200	8.7
165.07027	8.2
165.09149	3.1
166.07753	5.5
167.08598	15.2
168.09372	7.5
169.06491	5.1
169.10143	33.8
170.10907	18.1
171.04404	7.1
171.08063	20.7
171.11700	78.8
172.08821	9.8
173.06033	30.6
173.09636	42.6
173.13266	11.3
173.73695	2.6
175.07579	14.2
175.11185	10.3
177.09103	4.7
177.12703	2.4
179.08540	12.1
180.09267	5.2
181.10179	13.0
182.07043	3.0
182.10849	3.2
183.08063	14.7
183.11716	48.4
184.08881	5.8
184.12442	5.1
185.09644	32.0
185.13258	51.2
186.10298	4.9
187.07570	5.6
187.11214	30.4
189.05466	8.9
189.07158	3.2
189.09157	9.0
189.12796	3.8
191.08578	3.6
191.10699	3.8
192.09341	6.8
193.10110	14.4
194.10970	6.8
195.08063	9.4
195.10109	2.7
195.11722	15.5
196.08853	6.4
197.09628	22.7
197.13278	11.9
198.10405	4.0
199.07526	8.8
199.11186	39.9
200.11934	4.6
201.09189	12.7
201.12778	20.7
203.08624	4.4
203.10567	3.1
204.09421	3.2
205.10207	8.9
205.12207	4.0
206.10931	8.4
207.08192	3.0
207.10149	2.6
207.11755	19.0
208.08861	3.6
208.12463	4.8
209.09711	12.7
209.13264	8.9
211.07550	4.8
211.11224	25.3
211.14749	2.4
212.11891	3.2
213.09203	16.6
213.12758	39.5
215.08722	3.4
215.10710	7.7
215.14421	3.3
216.09331	7.9
217.10133	8.5
217.12286	7.6
218.10919	6.0
219.08147	4.2
219.09906	3.8
219.11662	8.7
220.12451	6.7
221.09700	4.3
221.13353	12.0
221.16713	2.6
222.10480	5.1
223.07695	3.3
223.11192	14.4
223.14842	11.1
224.11977	3.8
225.09113	8.3
225.12685	12.5
227.10696	12.1
229.10228	4.1
229.12250	18.4
230.10887	7.7
231.09953	6.5
231.11746	10.9
231.13847	7.4
232.12454	6.2
233.09560	6.0
233.11436	4.9
233.13611	13.3
234.10442	3.9
234.14143	4.2
235.11115	7.6
235.14850	6.4
236.11961	4.3
237.08960	4.0
237.12808	16.0
239.08527	4.2
239.10690	7.2
239.14365	7.7
241.10133	5.0
241.12267	5.4
242.10864	6.1
243.11967	14.7
243.13806	13.4
244.08728	3.8
244.12447	7.7
245.09535	6.5
245.11478	31.8
245.15358	25.0
246.10408	4.9
246.12305	3.2
246.14279	5.4
247.11095	5.9
247.12946	21.5
248.12021	4.4
248.15640	2.5
249.12784	9.7
249.16290	4.3
250.13518	7.2
251.14310	9.9
251.17935	5.7
253.12338	5.6
255.11882	11.6
255.14035	4.5
256.12500	10.5
257.11340	3.7
257.13293	10.2
258.14059	9.6
259.11035	5.5
259.13052	18.0
260.11887	3.3
260.15643	4.6
261.12759	12.8
261.16418	8.4
263.10886	3.1
263.14297	11.5
265.12302	5.5
267.11765	6.2
268.12515	5.6
269.13144	6.6
269.15485	6.5
270.10587	3.4
270.14084	11.4
271.11050	6.1
271.14771	9.7
273.12436	7.4
273.14749	15.7
274.13480	5.6
275.10602	4.6
275.14224	7.3
275.17883	6.3
277.12234	4.1
277.15729	6.0
279.13876	4.1
279.16711	2.5
280.12299	4.0
281.13159	3.5
282.13968	5.8
283.11121	3.7
283.17123	4.5
284.12244	4.8
284.15616	5.4
285.12628	9.9
285.16275	10.9
286.13647	4.9
286.16806	3.0
287.14285	12.4
287.17563	5.4
289.15646	8.5
291.13550	5.2
293.15344	3.1
297.12625	7.2
297.16080	3.1
298.13489	6.8
299.14258	9.4
299.17551	6.3
300.15137	5.7
301.12323	7.1
301.15805	12.3
302.13095	4.7
303.13742	9.2
303.17340	12.4
304.18140	5.4
305.15341	4.3
307.17010	4.9
311.14029	3.6
312.15088	6.0
313.12320	5.9
313.15894	14.2
314.16629	5.6
315.13782	11.1
315.17474	14.8
316.14587	3.6
316.18008	3.8
317.15372	8.9
317.18884	4.3
319.13242	3.4
319.20605	5.2
321.18549	3.7
326.13000	4.1
327.13718	7.2
327.17395	14.8
328.14459	3.3
329.15311	10.4
329.18976	12.0
331.13336	3.8
331.16901	24.8
333.18414	10.5
341.15201	10.1
341.19043	4.2
342.16309	5.9
343.16931	18.2
344.17651	3.7
345.14908	5.1
345.18494	22.2
347.16245	4.0
347.20071	7.3
349.18100	4.3
355.16962	20.2
357.14590	4.2
357.18503	43.9
359.16226	19.8
359.20230	4.6
361.18054	16.1
363.19662	7.8
369.18433	4.2
371.16315	6.2
373.18076	24.1
375.15808	3.5
375.19662	32.8
377.16934	3.0
379.22614	3.5
383.16489	7.0
385.17902	6.1
387.19565	31.1
389.21451	4.8
391.19095	12.7
393.20703	14.6
401.17609	16.8
403.18964	15.5
405.20663	64.8
407.22098	9.4
415.19055	14.7
417.20740	38.9
419.18417	3.5
421.19858	5.5
423.21637	6.2
425.23404	15.1
433.20175	38.9
435.21863	43.8
451.21130	5.1
453.23004	27.3
461.19351	3.4
475.21103	4.0
493.22446	13.5
521.25098	6.2
535.27325	18.3
553.24304	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	553.28
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86960	2.9
55.01861	6.9
67.05493	8.1
69.03436	20.6
69.07051	6.5
79.05504	9.6
81.03415	6.3
81.07074	3.6
91.05471	19.2
93.07050	12.5
95.04990	15.6
95.08610	4.3
97.06522	5.4
103.05476	3.3
105.07043	20.3
107.08588	8.8
109.06534	5.3
115.05466	5.7
117.07027	11.0
119.08592	23.8
121.06512	5.6
121.10154	5.6
123.07991	3.4
128.06206	7.4
129.07013	10.0
131.04951	4.9
131.08565	14.1
133.06509	4.2
133.10127	12.4
142.07793	7.3
143.08560	9.6
145.06491	9.8
145.10124	10.6
147.08067	37.4
147.82994	3.6
149.09666	5.6
151.11203	3.3
153.06932	3.5
155.08539	5.9
156.09308	7.1
157.10101	14.4
159.08032	16.8
159.11688	6.2
161.09628	22.1
165.06976	9.2
165.09138	9.2
166.07797	5.3
169.10127	7.7
171.08060	9.3
171.11691	9.4
173.09627	14.0
179.08543	6.6
180.09370	3.9
181.10109	9.8
183.11690	11.0
185.09622	10.7
185.13206	5.8
187.07503	3.7
187.11139	5.8
189.09036	5.3
192.09174	3.7
193.10104	7.9
195.11713	10.4
196.08847	3.6
197.09579	8.6
197.13208	6.9
199.11189	10.9
201.12740	9.5
207.11774	7.0
209.09584	9.4
211.11157	14.0
213.12813	6.9
215.14334	6.4
217.10083	6.3
219.11726	5.7
221.13196	5.1
222.10570	4.1
223.11168	23.0
225.12631	6.3
229.10130	3.9
229.12247	10.9
230.10956	4.6
231.08037	3.4
231.11731	4.5
235.11160	7.8
235.14795	4.4
237.12767	4.8
241.12364	4.5
243.11717	5.4
244.12505	3.5
245.13495	5.9
251.17665	3.3
256.12534	4.0
260.11884	4.8
261.12659	6.5
263.14267	7.7
269.09592	4.4
272.11911	3.8
273.12811	9.6
275.14407	7.5
281.12943	4.9
283.11328	6.1
283.14688	6.1
284.11865	6.2
285.12808	4.1
285.16281	5.9
287.14328	4.4
297.12643	10.4
297.15958	4.1
298.13412	8.1
299.14032	6.2
301.15851	3.4
303.17389	6.4
308.11987	3.0
309.12842	5.9
311.14154	7.9
312.15244	4.3
313.12604	4.1
313.16034	19.2
314.16885	3.6
323.14301	7.3
327.17383	8.4
328.18222	6.1
329.15482	5.6
331.16864	9.3
338.16650	7.8
341.15259	4.1
341.18976	6.6
343.20642	8.1
345.18549	6.5
353.19016	13.9
361.21680	7.2
371.20044	43.7
389.21143	43.5
407.22217	23.7
431.22324	5.6
449.23236	24.9
467.24255	6.6
535.26965	100.0
553.27991	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	553.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88361	1.8
53.03951	4.4
55.01865	17.6
55.05510	44.9
63.32714	1.4
67.05515	4.8
69.03424	5.4
69.07100	2.1
70.51559	1.4
79.05494	24.7
81.03423	24.1
81.07054	6.4
83.04980	51.8
85.06520	1.9
89.94499	1.7
91.05481	37.3
93.07034	6.1
95.01308	3.2
95.04960	19.3
95.08615	3.5
98.20733	3.6
101.06024	3.7
103.05460	3.2
105.07026	18.1
107.04953	24.7
107.08595	5.3
109.06522	6.5
115.05473	6.0
116.06249	4.1
117.07008	15.7
119.04947	4.7
119.08578	43.2
121.06519	8.8
121.10134	3.8
123.08028	2.8
128.06264	8.3
129.07005	29.9
130.07799	3.8
131.04890	3.2
131.08565	36.8
131.09520	2.5
133.06497	6.8
133.10139	22.2
135.08063	7.0
141.07010	7.2
142.07784	6.0
143.08551	16.7
144.05727	4.3
144.09344	3.4
145.06503	22.7
145.10144	20.2
147.08035	74.1
147.11720	2.3
149.09615	48.1
149.10741	3.8
149.21144	1.7
153.06909	1.9
154.07800	2.6
155.08563	6.1
156.09343	9.6
157.06509	2.6
157.10124	46.7
158.07256	2.6
159.08061	100.0
159.11687	53.2
161.09621	53.5
163.07516	2.5
163.11185	1.6
165.07031	2.2
167.08588	2.3
168.09470	2.1
169.10104	21.4
170.10892	2.4
171.08075	4.8
171.11705	36.2
172.08806	3.6
173.06021	5.5
173.09622	15.5
173.13269	16.9
175.07559	21.9
175.11174	2.7
177.09142	4.8
179.08519	3.2
181.10107	8.9
182.07251	1.7
182.10960	2.0
183.08051	2.5
183.11685	26.8
185.09590	8.1
185.13248	9.5
187.07542	3.0
187.11194	13.3
189.09030	3.4
189.12758	2.5
191.08551	1.9
191.10684	7.0
192.09303	2.9
193.10143	6.7
193.12183	1.8
194.10938	2.5
195.08012	5.1
195.11714	5.8
197.09586	11.8
197.13315	5.3
199.11189	18.8
201.09074	4.2
201.12708	14.3
205.10242	2.1
206.10985	3.9
207.11737	10.2
208.12465	3.8
209.09634	6.3
209.13277	9.6
210.10310	2.7
211.11302	8.6
211.14868	4.8
213.12686	4.2
215.10753	7.9
217.10396	1.7
217.12225	7.6
218.10783	2.6
219.11743	2.4
220.08856	2.0
220.12465	4.0
221.13266	8.8
222.14073	1.9
223.11177	7.9
223.14838	6.2
224.11911	3.7
225.12721	19.6
227.10727	6.5
229.10205	3.2
229.12276	12.1
231.13606	7.9
232.12515	3.5
233.13271	3.4
233.15308	15.0
235.11151	6.7
235.14873	5.2
236.11943	2.7
237.12762	5.7
237.16422	2.3
239.10632	3.7
239.14389	7.2
241.12167	3.1
243.13812	6.8
244.12376	2.7
245.15515	2.5
247.11119	3.6
247.15074	3.9
249.12737	5.3
251.14326	5.0
253.12410	2.3
257.13501	2.2
259.11047	3.2
260.11990	2.4
261.12585	3.6
261.14758	10.6
262.13528	2.5
263.14374	5.9
265.15939	5.2
267.13934	2.4
273.12747	4.3
273.16333	1.8
275.14255	5.7
279.13904	2.1
279.17465	2.1
281.15442	2.5
282.14105	1.8
285.12573	3.8
286.13477	2.8
287.14288	4.6
287.17700	2.2
289.15918	5.1
291.17374	2.9
293.15274	1.7
299.16757	3.0
300.15067	3.9
301.15820	3.5
303.13879	2.1
303.17346	2.1
305.19016	3.4
307.17004	2.2
313.15695	2.6
314.16522	3.2
315.17404	14.8
317.15381	3.6
317.18762	4.3
319.16980	2.4
323.16553	1.9
325.15695	3.3
329.15732	1.9
329.19022	10.1
331.16913	5.4
333.18420	21.8
335.16452	8.4
341.17770	3.0
342.16068	2.7
343.16895	7.2
347.20047	15.7
349.17981	2.8
357.18326	11.6
359.16467	2.0
361.17941	7.7
367.19183	3.6
369.17017	2.4
375.19516	26.6
375.23734	2.5
379.22763	3.4
380.70914	1.7
385.17841	5.7
389.21161	21.7
391.18393	2.2
391.23056	7.9
403.19040	11.2
405.20572	5.0
407.22195	47.3
409.20065	1.9
417.20599	19.8
421.20364	2.1
425.23318	17.9
435.21655	45.6
453.22714	21.2
535.26514	2.5
553.27698	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	553.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01877	14.0
55.05510	22.5
64.75697	2.2
65.03949	3.5
67.05493	10.5
69.03431	19.0
69.07048	6.8
70.80087	5.5
79.05485	13.1
81.03404	11.9
81.07050	10.3
83.04983	30.5
88.91439	2.0
91.05486	31.5
93.07075	17.3
95.04965	18.8
95.08599	10.6
97.06530	4.1
98.99780	2.1
103.05454	5.1
105.03393	3.6
105.04527	2.5
105.07039	25.0
107.04987	2.4
107.08611	15.2
109.06523	10.1
109.10152	5.9
115.05446	10.6
116.06284	3.8
117.07013	21.7
119.04918	2.6
119.08586	35.9
121.06511	8.3
121.10130	7.5
123.08051	4.0
128.06221	13.2
129.07002	14.5
130.07776	3.9
130.67525	2.0
131.04897	10.7
131.08566	24.8
133.06477	7.6
133.10130	20.6
135.08043	9.9
137.09592	5.6
141.06970	6.8
142.07765	7.8
143.08575	18.4
145.06508	22.3
145.10120	10.4
146.07254	3.1
147.08047	51.8
147.11626	3.4
149.09616	8.0
153.06967	4.5
154.07758	4.3
155.08582	14.3
156.09335	8.8
157.06512	3.1
157.10135	21.0
158.07193	2.5
159.08070	25.4
159.11682	10.1
161.05989	4.0
161.09628	34.1
163.07552	16.4
163.11206	4.0
165.06985	9.6
165.09113	8.9
166.07791	3.8
167.08572	7.8
168.09332	6.6
169.10121	12.9
170.10960	2.9
171.08095	11.8
171.11681	25.8
172.08757	2.9
173.06018	13.2
173.09621	23.1
173.13269	6.7
175.07608	6.6
175.11182	6.5
178.07779	3.8
179.07117	4.0
179.08580	7.5
179.10577	4.5
180.09332	6.5
181.10123	9.1
183.08083	5.7
183.11748	17.3
184.08826	3.8
185.09662	15.6
185.13251	10.2
187.07524	3.9
187.11209	16.5
187.14832	3.7
189.09097	3.1
190.07635	2.5
191.08534	5.2
193.10080	11.8
195.08008	8.2
195.11734	12.6
196.08858	6.3
197.09599	11.5
197.13243	9.6
199.07501	2.5
199.11176	20.0
200.11794	4.0
201.09145	4.0
201.12782	9.7
203.08554	5.6
203.10765	2.3
205.10184	5.5
205.11990	2.7
207.11710	12.1
208.08858	3.0
208.12553	3.1
209.09624	10.2
209.13249	6.2
210.10464	3.5
211.11145	19.7
213.12776	17.0
215.10654	5.7
215.14366	3.9
215.28325	2.3
217.10159	5.7
217.12131	3.6
218.10939	2.7
219.11734	6.8
220.12480	3.6
221.13255	6.5
223.11201	23.0
223.14743	3.7
225.09175	4.1
225.12711	7.7
227.10716	7.0
229.10233	3.4
229.12167	18.6
230.10851	4.9
231.11697	6.9
231.13849	7.1
232.12460	3.0
233.09676	5.0
233.13219	6.3
234.10278	4.1
235.11205	7.0
235.14833	5.8
237.12695	9.9
239.10641	5.8
241.10008	3.4
241.12201	5.5
242.10771	3.2
243.11661	6.5
244.12355	4.8
245.09515	4.0
245.13391	6.5
246.10339	3.6
247.11053	4.3
247.13362	7.7
248.11865	3.4
249.12799	5.3
249.16296	3.9
251.10658	3.4
251.14365	5.2
255.11688	5.7
255.13988	2.8
257.09415	3.5
257.13422	5.4
258.10382	3.2
258.13992	3.5
259.11035	6.0
259.13272	3.4
260.11914	6.9
261.12686	6.9
262.09760	2.9
263.14352	8.0
265.15829	3.4
268.12488	3.7
269.13266	5.3
270.14053	2.6
271.14774	7.2
272.11984	5.3
273.12500	12.6
274.13419	4.3
275.14288	10.4
275.17398	2.8
277.15845	5.0
280.12396	5.0
281.09952	2.5
281.13095	3.8
283.11218	8.3
283.14377	3.8
284.11923	3.1
285.12695	6.3
285.16293	5.1
287.14291	7.5
289.14618	3.0
297.12756	10.1
298.13513	5.4
299.14200	7.3
300.14984	3.0
301.12103	2.6
301.15894	6.9
302.16629	2.9
303.13974	4.4
303.17487	8.6
309.12552	6.3
310.13641	3.5
311.14279	9.1
312.14984	5.2
313.12405	3.6
313.15817	18.3
314.16556	3.4
315.13791	5.4
315.17401	5.2
317.15280	4.1
317.18839	3.1
321.18637	4.3
323.14423	11.5
324.10858	2.9
324.14969	4.6
325.15808	3.9
327.13873	3.3
327.17380	8.6
328.17984	3.2
329.15430	7.1
329.18982	7.1
331.16971	8.6
338.16757	4.8
341.15292	8.5
341.19064	6.3
343.17151	3.8
343.20557	13.2
345.18341	11.9
347.20074	5.3
353.19119	15.0
356.17593	5.4
357.18420	8.9
359.16345	4.2
359.20151	6.3
361.21619	6.7
371.20035	51.6
374.18787	3.9
375.19421	3.9
377.21191	3.3
387.19296	2.6
389.21100	61.5
405.20645	7.0
407.22232	33.2
417.20691	11.9
425.23093	3.7
431.22336	4.9
435.22028	12.2
449.23309	19.7
453.22702	6.9
457.11151	2.8
467.24228	8.4
475.25012	3.0
535.26929	100.0
553.28918	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	552.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96206	0.4
55.01868	1.1
57.03426	0.4
61.02921	0.8
67.05493	0.6
69.03426	1.5
70.65987	1.3
71.04997	0.6
81.03426	1.9
81.07055	1.0
84.04523	0.4
85.02915	5.8
91.05469	1.8
93.03442	0.5
93.07059	0.8
94.04166	0.7
95.04987	0.9
97.02907	2.4
97.06550	0.5
99.04454	0.7
99.05576	1.1
100.07625	0.5
103.05450	0.6
103.28961	0.5
105.07023	0.9
107.08590	0.6
109.02888	1.0
109.06500	0.5
109.10209	0.5
111.04440	0.8
115.05463	2.8
117.07052	0.6
119.04967	2.0
122.03651	1.2
123.04453	0.4
125.05992	0.7
127.03909	1.9
130.04973	0.6
131.08521	0.4
134.03575	0.4
135.04422	1.0
137.05981	18.5
143.04918	1.6
145.04970	1.0
145.06204	1.9
146.08163	0.7
147.04420	1.1
149.05978	1.8
150.06770	1.3
151.03882	1.2
151.07547	0.5
153.05496	0.7
153.06664	0.5
158.03638	0.9
159.02998	0.4
159.04408	1.8
160.05200	1.5
161.06004	1.1
163.07555	0.7
173.06010	2.5
175.03932	1.8
175.07573	3.4
177.05556	0.5
177.07047	1.3
178.07625	0.4
181.09978	0.5
182.32463	0.4
186.03192	2.9
187.03906	1.9
189.05424	0.7
189.07007	0.5
191.07040	0.7
191.08630	0.5
192.49739	0.4
194.07283	1.4
199.10870	0.5
201.05447	12.6
202.05791	0.4
203.07047	1.1
204.05704	0.4
205.04613	0.5
205.06499	10.0
206.07391	0.7
217.06433	0.7
219.06274	0.7
219.08067	1.4
221.06032	1.5
221.09561	0.4
222.06772	5.6
223.07558	0.7
226.06177	0.5
227.07056	1.2
232.05124	0.4
233.05983	11.8
234.06848	2.7
236.04671	0.6
236.08447	0.6
237.09120	11.7
239.07150	1.3
240.07932	0.5
247.07518	2.3
248.08299	0.7
249.05531	1.8
250.06250	11.0
251.06985	2.5
251.16454	0.5
253.08481	0.6
254.05719	0.4
261.05505	2.6
262.06311	0.7
263.07016	0.8
264.07776	3.6
265.08609	29.3
266.09387	1.9
267.06564	1.8
268.07288	0.7
269.17432	0.8
275.07135	0.6
277.04953	1.2
277.08536	1.2
278.05786	4.8
279.06631	1.4
279.10190	2.1
281.07938	1.0
282.08911	2.5
283.09634	1.3
287.11337	0.5
292.07312	11.0
293.08075	23.9
294.08835	1.6
295.06085	1.6
297.08139	0.3
297.11221	9.2
303.05017	5.1
304.05350	9.2
305.08096	0.7
307.09647	27.5
309.07547	0.6
310.08371	4.2
325.10712	100.0
326.11115	1.0
337.10565	1.1
343.11771	48.7
344.12231	0.7
344.83246	0.4
355.11719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02817	1.1
52.23282	1.0
52.36264	1.0
55.01888	2.1
55.05268	1.3
55.05517	19.3
56.05832	1.8
62.94031	1.2
65.28732	1.1
67.01263	1.2
67.05502	9.5
69.03414	2.6
69.07070	3.4
70.06583	2.4
70.32067	2.6
71.04980	1.1
79.05481	3.5
80.10593	1.0
81.03410	3.1
81.07064	10.9
81.21466	1.1
82.06582	3.5
83.04993	3.3
83.08627	13.2
84.08926	1.8
85.02910	5.2
85.06536	2.5
86.09676	1.3
91.05489	5.1
93.07059	5.3
95.04990	3.7
95.08611	5.5
97.02911	3.2
97.06574	2.1
98.09696	2.4
99.04510	1.2
100.07613	6.2
100.11266	77.1
101.11592	9.9
105.07047	3.7
107.04956	2.8
107.08604	4.2
109.02878	1.8
109.06555	3.2
109.10155	3.3
110.06062	2.3
111.04448	10.5
112.04791	1.4
112.07631	1.6
112.11224	1.4
115.05458	1.8
117.07050	1.6
119.04964	1.6
119.08575	7.2
120.08154	1.6
121.06543	3.3
121.10161	5.6
122.03628	1.6
122.15869	1.2
122.67535	1.0
123.04414	2.9
123.08120	1.6
123.11674	1.5
125.06012	2.9
126.09156	3.0
127.03954	2.4
128.07079	5.6
129.07106	1.7
131.04916	1.8
131.08612	3.6
133.10162	3.2
135.04433	1.5
135.08080	2.3
135.11739	1.5
136.07570	3.2
137.05978	14.8
139.08701	2.7
140.07063	2.4
141.05443	6.2
143.08591	3.3
145.06493	2.5
145.10153	4.9
147.08110	2.8
147.11732	2.2
149.06015	1.8
149.09657	1.4
151.03889	1.5
151.07605	2.4
153.05556	1.1
153.07062	1.5
155.08537	6.3
155.66107	1.2
157.10178	3.8
159.11687	3.1
161.06033	5.0
163.07454	1.2
163.11266	1.4
164.07117	7.7
165.07007	1.6
166.82887	1.1
167.07181	2.1
167.08565	2.4
168.09471	1.3
169.10222	3.1
171.08093	1.7
171.11720	3.6
173.09521	1.3
173.13300	1.3
175.07607	1.9
179.07094	2.8
179.08524	1.7
180.09308	2.2
181.10161	2.8
182.11014	2.2
182.15411	27.8
182.19052	2.0
183.08061	3.2
183.11693	2.3
183.15759	7.9
185.09647	2.5
185.13304	3.6
187.11220	1.4
192.09373	1.2
192.13889	1.6
195.08022	1.2
195.11710	8.1
196.08923	1.2
196.12616	1.4
197.09688	1.4
197.13257	20.1
199.11160	2.5
207.10132	1.3
207.11833	2.2
209.08046	1.3
209.13326	2.7
209.16475	13.3
210.14940	21.3
210.16833	4.0
211.15201	8.0
213.12788	3.4
215.14482	1.6
225.12737	10.9
226.19220	3.2
227.14236	5.3
227.17590	2.7
231.13957	1.3
243.13779	15.3
245.15462	5.2
251.20155	3.0
253.08432	1.3
261.15158	2.0
265.08765	2.3
269.12891	6.1
269.15494	5.3
269.21179	7.0
281.15341	1.8
285.11365	2.0
287.10562	2.6
287.13913	5.1
287.22272	2.0
297.11368	3.5
299.16513	4.3
303.05072	1.3
303.15997	6.7
305.14917	6.3
317.17505	20.1
323.77603	1.1
326.28113	4.4
327.28452	2.5
335.18475	1.9
337.23267	1.7
343.30713	2.7
344.30734	1.6
355.11862	1.2
359.18646	2.0
369.13257	1.3
395.20764	22.4
421.20477	2.1
435.33929	1.5
453.34668	1.8
454.35001	1.6
499.23776	1.4
517.24457	10.4
552.44861	50.8
553.45215	100.0
565.68579	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	1.1
53.03941	3.4
55.05510	12.5
57.07073	8.0
58.81980	1.0
61.66919	0.8
65.03941	1.9
67.05505	24.6
69.07066	17.0
71.08633	2.0
73.13853	0.8
77.03924	1.1
79.05495	21.0
81.03434	1.5
81.07058	38.6
83.04973	1.2
83.08614	10.2
83.09487	0.8
84.08553	0.8
85.06551	2.7
88.13650	0.9
91.05482	35.3
92.05812	0.9
93.07046	52.6
95.04972	4.1
95.08610	40.0
97.06546	1.5
97.10180	1.3
103.05489	3.5
105.07031	68.0
107.08595	56.6
109.06523	3.1
109.10158	42.8
111.08050	1.6
112.55342	0.8
115.05470	3.6
116.06219	1.6
117.07014	12.5
119.08585	100.0
120.08978	1.2
121.10145	46.4
123.08073	1.6
123.11710	12.5
128.06238	6.1
129.07005	9.9
130.07788	8.5
131.08571	31.7
131.09521	1.9
133.07617	1.5
133.10129	55.6
134.10623	1.0
135.08127	1.2
135.11697	37.5
137.09621	3.5
137.13260	1.1
139.11217	1.4
141.07018	3.6
142.07791	11.6
143.08562	24.5
144.09343	6.1
145.10127	67.0
146.10991	1.0
147.11684	20.5
149.09657	3.0
149.13261	5.0
151.11223	1.7
151.14792	1.8
153.06947	1.3
154.07814	2.1
154.28175	0.9
155.08553	10.7
156.09337	9.9
157.10127	37.3
158.10930	5.7
159.11697	34.3
160.12196	1.4
161.09676	1.6
161.13254	11.7
163.11230	3.1
163.14824	1.4
165.07034	2.2
166.07681	1.2
167.08524	5.1
168.09344	3.0
169.10143	17.0
170.10936	5.0
171.11688	21.0
172.12466	2.0
173.13261	24.4
173.14679	1.5
174.13806	1.1
175.14827	36.7
178.51273	0.9
179.08524	5.8
180.09402	2.7
181.10101	9.6
182.10936	6.3
183.11722	15.1
184.12370	1.7
185.13261	13.7
186.13847	1.1
187.14813	14.2
189.12791	1.0
189.16432	3.6
191.14362	1.8
192.09251	0.9
193.10144	5.4
193.15964	1.6
194.10913	3.5
195.11667	14.6
196.12390	4.2
197.13266	18.6
198.13995	1.5
199.14845	6.3
201.16370	14.2
203.17859	0.9
205.15900	1.1
206.10959	1.7
207.11691	6.7
208.12488	3.6
209.13237	13.7
210.13959	2.7
211.14822	11.4
212.15620	1.3
213.16321	7.5
215.17960	1.6
217.10063	1.7
217.15979	1.8
219.11716	3.6
219.17439	4.5
220.12476	2.1
221.13301	7.0
222.14108	1.0
223.14804	8.8
224.15617	1.3
225.16345	4.6
227.17941	2.8
231.11737	1.4
233.13327	3.6
234.14072	1.1
235.14809	4.7
237.16409	5.8
239.18031	3.5
241.19557	4.4
245.13350	1.1
246.14037	1.8
247.14955	2.8
249.16451	2.4
251.18018	3.3
252.18782	1.3
253.16219	0.9
253.19412	4.6
253.52075	1.2
255.21376	1.8
257.19061	3.1
258.14377	1.2
259.14832	2.3
259.20685	2.0
260.15613	1.0
261.16461	3.7
263.17978	3.5
264.18829	1.0
265.19586	3.1
267.21170	3.9
271.20676	2.0
274.17242	1.0
275.18146	2.4
277.19650	2.0
279.21152	2.1
283.20526	2.0
285.22226	3.7
287.18024	1.3
289.19534	3.1
291.21118	2.9
293.19193	0.9
293.22534	1.2
305.22562	1.2
317.22812	1.2
319.24222	1.6
331.24179	1.4
333.25949	1.9
337.25305	1.6
343.24405	1.7
345.25922	3.4
349.25168	1.5
385.29379	0.9
391.30237	1.3
415.30420	1.1
429.31604	2.4
430.32446	1.6
458.35519	1.2
459.36270	3.8
495.36227	2.3
533.41595	3.2
551.42517	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	551.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	13.3
57.07073	4.1
59.02937	1.9
59.04996	2.6
67.05519	18.5
69.03432	4.2
69.07079	16.7
71.05000	3.5
71.55164	3.2
71.59580	2.0
72.69165	2.8
79.05492	8.3
81.07064	25.6
83.04973	9.7
83.08617	9.1
85.06525	2.3
91.05491	22.9
93.07047	23.4
95.04950	7.8
95.08615	23.4
97.06525	5.7
97.10141	3.4
99.08100	4.2
105.07044	27.2
107.08598	26.9
109.06508	5.1
109.10169	25.4
117.07056	11.2
119.08591	44.5
121.10143	17.9
123.08070	7.7
123.11703	9.9
125.09613	6.6
128.06223	5.2
129.07022	10.9
131.08601	21.9
133.10138	34.1
135.08047	6.5
135.11681	8.6
137.09627	24.3
137.13235	5.7
139.11183	2.7
141.06992	4.6
142.07759	6.4
143.08591	19.0
145.10139	32.8
147.08014	5.3
147.11697	21.7
149.13242	4.9
151.11192	5.0
155.08551	16.9
156.09317	3.5
157.10136	32.4
159.11710	20.8
161.09627	8.6
161.13240	8.9
163.11176	3.1
165.12825	3.2
167.08560	5.4
168.09328	4.0
169.10136	19.4
170.10857	4.4
171.11703	20.5
173.09587	4.3
173.13245	12.0
175.11201	4.7
175.14838	12.4
177.12737	7.9
179.14320	14.6
181.10097	8.2
183.11729	17.5
184.12433	3.6
185.09671	3.6
185.13274	13.1
187.11214	6.2
187.14830	20.1
189.12695	5.6
189.16313	8.5
191.14273	4.1
192.09332	3.1
193.10139	3.6
195.11700	9.6
196.12505	3.7
197.13289	15.0
199.11198	3.1
199.14787	12.4
201.12761	3.5
201.16362	6.1
203.14378	15.3
203.17740	3.0
205.10080	3.0
205.15883	3.7
206.10977	3.1
207.11728	8.1
208.12503	2.5
208.92072	2.6
209.13319	11.3
211.14861	12.5
213.12727	3.5
213.16336	9.3
215.14326	11.4
217.15927	20.0
219.11780	3.0
221.13269	7.6
221.15359	5.3
223.14790	8.5
225.12930	2.8
225.16423	17.4
227.17856	3.4
229.15829	9.8
231.17496	10.5
235.14821	5.4
237.16432	4.7
238.13535	4.2
241.15797	2.8
243.17477	4.3
248.42061	2.4
251.18051	2.8
253.19562	14.7
255.17419	2.6
263.17871	10.5
271.20557	10.1
277.19678	4.2
281.19012	86.2
281.22092	5.3
283.20493	3.6
291.21072	3.3
299.19992	10.3
303.04745	3.2
307.20493	4.6
317.22318	3.2
319.20465	4.0
319.23904	2.4
347.23779	3.4
349.25195	2.5
387.30255	2.5
395.29553	2.6
405.31583	15.6
415.29950	18.4
421.31219	15.3
423.32562	13.3
433.31058	100.0
451.32040	63.2
551.26929	6.6
551.37341	5.3
575.92133	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	551.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01877	0.5
55.05503	0.7
56.05030	2.2
57.03440	0.6
61.02926	0.3
65.03950	0.4
67.05499	1.6
69.03432	1.4
69.07072	0.8
71.55083	0.3
73.98341	0.2
79.05492	1.3
81.03412	0.8
81.07067	1.5
82.06573	0.4
83.08627	0.6
84.08144	100.0
85.02904	3.2
85.06510	0.6
86.09701	0.4
91.05491	0.7
93.07035	0.8
95.04979	0.5
95.08597	1.2
97.02884	1.3
97.06538	0.3
99.04474	0.4
99.08037	0.4
102.09188	0.3
103.05472	0.9
105.07037	4.2
107.04949	0.4
107.08604	0.7
108.08131	0.3
109.02872	0.4
109.10139	0.5
112.07557	0.5
115.05481	1.0
118.04148	0.4
118.83307	0.2
119.08585	0.6
121.10132	0.3
125.06000	0.3
127.03951	0.7
128.07053	0.3
129.10237	2.3
130.08635	9.9
131.04898	0.5
131.08459	0.3
133.06491	2.8
133.10104	0.6
136.07597	0.7
137.05972	0.6
143.06062	0.3
145.04944	0.3
147.04433	0.3
147.11287	3.9
159.08109	0.3
161.05988	6.1
163.07550	0.3
167.07062	0.9
176.03424	0.3
176.10750	0.6
181.04961	1.0
191.07057	1.9
193.08607	2.5
205.08582	0.3
209.08047	0.4
222.03996	0.8
227.16318	0.2
267.19662	0.4
285.12137	0.4
287.10300	0.7
290.24796	1.9
305.11310	0.8
308.25845	3.9
315.91650	0.3
326.26981	0.5
329.11386	0.4
353.27859	1.3
357.10806	2.0
371.29041	22.8
375.11575	0.2
379.13864	0.3
389.30087	34.9
417.30917	0.4
431.31265	0.3
519.15491	0.4
533.34534	0.3
551.21136	0.9
551.35406	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	551.3345
Annotation	Revandchinone 1
Peak:m/z	Relative Intensity
53.03945	0.3
55.05513	0.6
57.03436	1.0
65.03954	0.4
67.05505	1.7
69.07071	0.6
70.14297	1.4
70.14670	0.6
71.04987	0.3
79.05486	2.2
80.17656	0.4
81.07055	3.9
83.01099	0.7
83.04999	0.7
91.05491	2.4
93.07062	3.2
95.04977	0.7
95.08609	2.6
97.06536	0.8
105.07041	3.8
107.08611	3.7
109.06501	1.7
109.10160	1.9
117.07028	1.0
119.08611	3.4
121.06364	0.7
121.10150	1.6
123.08143	0.8
123.11716	1.3
123.52016	0.5
129.07027	0.8
131.08580	1.9
133.10133	2.8
135.08112	0.6
135.11681	0.6
136.36938	0.3
142.07814	0.5
143.08623	0.9
145.10110	2.9
147.08076	0.4
147.11661	1.9
149.09633	0.4
155.08551	0.6
157.10147	2.1
158.10919	0.4
159.11691	3.8
161.09592	0.4
161.13319	1.2
163.11160	0.4
163.22838	0.4
169.10155	0.8
171.11674	1.3
173.13304	1.4
175.11220	0.5
175.14803	0.6
177.12837	0.7
181.10118	0.4
183.11774	1.1
185.13292	1.3
187.14832	0.9
189.12793	0.8
191.14337	0.5
195.11783	0.5
197.13312	1.0
199.14819	1.1
201.12755	1.1
208.12558	0.5
209.13382	0.6
213.16405	0.4
217.15944	0.5
223.14973	0.6
225.16429	0.4
227.17975	0.6
237.16414	0.4
241.15836	0.7
259.17081	0.4
293.22446	0.4
303.04944	0.4
311.23712	0.6
393.24234	0.8
397.27667	0.8
491.31363	16.3
532.34186	0.5
551.33502	100.0
552.33899	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3134
Annotation	Rescinnaminol
Peak:m/z	Relative Intensity
55.05499	1.1
57.03445	1.3
57.07077	3.7
62.46782	0.8
67.05508	1.7
67.56475	0.8
69.07055	1.7
69.94463	0.8
71.08641	2.6
71.56841	1.8
78.23772	0.8
79.05477	1.2
81.03413	5.4
81.07059	3.1
83.08630	2.1
91.05482	2.5
93.07037	1.6
95.04969	2.2
95.08588	1.2
97.06538	1.0
97.10210	1.0
101.18743	0.9
109.10151	1.1
111.11675	0.9
114.81895	0.8
115.24345	0.8
119.08565	1.1
121.10185	1.0
123.41832	0.8
168.33821	1.0
175.11189	1.1
193.12297	3.1
267.15897	7.7
319.53690	0.9
341.30576	7.2
422.20114	1.0
482.41882	1.1
533.42249	5.3
551.31409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.05504	3.4
67.05502	3.1
69.03418	1.5
69.07065	1.2
71.55682	0.8
79.05497	3.3
81.07059	1.4
83.04984	4.5
87.23567	0.7
91.05475	6.0
93.07046	3.9
95.04948	2.2
95.08580	2.9
97.06586	0.8
97.63194	0.8
97.74413	0.8
103.05446	2.0
105.03385	2.0
105.07037	10.4
107.04922	0.8
107.08585	6.9
109.06487	2.2
109.10156	2.8
109.60298	0.6
113.05891	0.6
115.05452	0.9
117.07016	2.0
119.08597	8.4
121.06530	1.1
121.10123	2.7
128.06233	1.3
129.06963	1.8
131.04922	3.9
131.08554	4.0
133.06483	1.8
133.10130	14.9
134.53549	0.7
135.08041	1.6
142.07784	2.4
143.08549	3.7
145.06421	1.9
145.10098	3.8
147.08018	2.4
147.11662	5.0
149.02402	1.0
149.09612	1.7
155.07010	4.2
155.08534	2.3
156.09363	2.5
157.10110	7.8
159.08067	5.0
159.11685	2.7
160.08806	0.8
161.09607	2.8
165.06897	1.0
169.10132	2.6
170.10851	4.0
171.08107	1.9
171.11700	4.6
172.08823	2.7
173.09619	8.0
173.13214	3.6
175.11160	2.7
179.08513	0.8
180.09326	0.8
180.34407	0.7
181.10100	1.0
183.08089	1.7
183.11711	3.1
185.09624	2.5
185.13263	5.5
186.10378	2.5
187.11163	1.9
189.09155	1.4
189.12712	0.9
193.04941	1.0
193.12183	2.5
195.11702	2.3
197.09563	1.9
197.13239	1.1
198.10458	5.1
199.11189	3.0
200.12048	0.8
201.12732	10.0
207.11710	1.6
209.13243	1.1
211.11186	1.6
211.13263	1.3
213.12750	37.1
215.14331	2.1
217.12300	1.5
223.11163	1.0
227.14449	0.9
231.13800	100.0
233.13263	1.1
237.12741	0.8
239.14337	1.0
245.63681	0.7
247.14899	1.3
255.11563	0.9
259.14896	1.7
277.15762	1.0
291.17407	1.3
303.04919	2.2
309.18539	1.1
331.16467	0.8
345.18582	1.4
353.24707	0.7
363.23087	1.8
365.24713	2.0
369.20776	0.9
373.17859	0.7
381.24274	1.3
393.24307	3.3
411.25385	6.8
429.26370	69.2
451.21188	1.7
508.96213	0.7
551.28699	12.6
558.80615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2492
Annotation	Taxumairol I
Peak:m/z	Relative Intensity
53.03931	16.7
55.01857	14.8
55.05505	18.5
57.03426	9.4
67.05509	45.1
69.03418	30.4
69.07058	26.0
69.86705	17.4
69.87110	25.5
71.01358	18.1
71.04968	7.7
79.05504	49.8
81.03403	34.0
81.07067	66.7
83.04999	35.6
83.08617	7.7
85.02908	37.8
85.06537	18.0
91.05496	77.5
93.07050	64.6
95.04979	54.9
95.08612	39.9
97.02887	34.3
97.06519	33.6
99.04396	7.8
103.05463	18.8
105.07036	82.3
107.04954	31.1
107.08604	51.7
109.02879	23.8
109.06517	32.1
109.10175	36.4
111.04413	13.4
111.08099	17.7
115.05484	8.4
117.07034	41.5
119.04927	18.2
119.08569	88.2
121.02874	8.9
121.06512	34.7
121.10143	48.7
123.04440	24.6
123.08046	27.0
125.05987	21.0
127.03913	18.2
128.06229	22.2
129.06987	29.7
130.07784	12.3
131.04932	22.5
131.08551	51.7
133.06479	27.7
133.10141	72.9
135.04401	9.6
135.08047	26.0
135.11662	15.1
135.76735	7.0
137.05998	43.2
137.09654	15.2
139.03918	9.2
141.07040	13.7
142.07797	19.0
143.08582	52.3
144.09210	9.9
145.06494	36.3
145.10121	58.0
147.04407	17.1
147.08066	43.9
147.11673	28.6
149.05981	30.0
149.09608	39.6
149.13315	13.0
151.03958	13.0
151.07591	37.5
151.11179	7.3
153.09192	8.4
155.08530	34.3
156.09332	33.9
157.10143	73.0
159.08061	40.8
159.11699	34.0
161.05968	19.3
161.09601	37.5
161.13173	11.9
163.03853	9.5
163.07549	25.3
163.11150	14.1
165.07047	12.7
167.07079	24.9
167.08505	11.1
168.09393	15.0
169.10101	31.0
170.10852	24.8
171.08078	35.5
171.11696	65.3
173.06006	12.6
173.09636	57.9
173.13245	31.9
175.07550	12.1
175.11154	22.8
177.09145	11.6
179.08556	19.6
180.09285	17.1
181.04970	8.2
181.10130	23.7
182.10889	12.4
183.08015	21.0
183.11694	54.4
184.08798	11.5
185.06026	7.5
185.09605	35.1
185.13335	44.5
186.13748	7.5
187.11189	23.4
189.09117	15.0
189.12675	10.8
191.07019	11.6
191.10760	18.7
192.09299	9.5
193.08609	8.6
193.10170	22.8
194.10857	17.2
195.11717	34.4
197.09610	37.1
197.13264	24.7
198.10394	22.8
199.07646	8.4
199.11224	35.1
200.11954	31.2
201.05534	9.4
201.09103	18.4
201.12747	10.6
203.06979	11.5
203.10654	11.6
205.10143	11.2
206.10938	28.5
207.11705	28.7
209.09628	17.6
209.13231	24.2
210.10356	9.2
211.11232	51.3
211.14842	11.2
213.09290	7.8
213.12721	100.0
215.10664	17.3
215.14177	10.3
217.08574	32.9
217.10376	11.4
217.12219	14.4
219.09918	9.3
219.11824	14.5
220.12440	18.1
221.13214	44.6
223.11153	34.2
223.14874	18.6
224.11780	10.4
225.12741	32.8
227.10602	16.3
229.09961	11.5
230.10832	11.2
231.06676	8.4
231.13780	26.6
232.12352	12.2
233.13332	16.7
234.10316	10.5
235.11118	18.4
235.14810	43.7
237.12709	21.2
237.16371	8.8
239.10699	16.6
239.14301	28.6
241.12245	21.6
245.13280	14.6
246.13937	11.0
247.11273	16.6
247.14670	16.9
249.12691	21.6
249.16443	10.2
251.14297	28.3
253.12268	8.2
253.15871	33.0
255.13977	8.1
257.11896	22.5
257.15326	14.5
259.13113	41.4
260.12085	11.2
261.12741	19.2
263.14432	48.6
265.15979	17.4
269.15332	9.9
272.11673	8.1
273.12723	13.6
275.14120	9.4
277.14279	17.0
279.13739	10.7
279.17529	8.8
281.15283	30.3
285.12341	28.1
287.14124	9.2
289.12094	7.3
289.15692	11.0
291.13724	12.1
293.15445	9.3
295.16809	26.9
299.16589	17.3
303.04987	94.9
303.13614	20.7
305.15256	25.8
307.16666	7.9
317.15033	10.0
319.13284	13.0
323.16354	25.1
327.25577	8.6
331.16901	15.6
333.14764	10.4
335.16345	14.3
339.15881	9.9
341.17480	26.1
345.14697	17.8
353.17618	9.5
359.16458	16.9
363.15955	18.1
377.17410	28.3
405.17117	17.7
409.20673	10.5
423.18094	7.9
441.19199	9.2
455.20566	17.1
460.84146	8.9
473.21356	9.3
515.23688	8.1
533.24280	9.7
551.25189	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59200	0.8
53.03936	2.0
55.01880	3.8
69.03430	2.3
69.61095	5.2
71.04988	0.8
73.24915	0.8
79.05498	10.0
81.03412	1.4
85.02898	4.1
91.05456	4.5
93.07039	2.1
95.04968	1.9
95.08611	1.6
97.02920	0.8
103.05465	19.7
105.07035	70.0
107.04964	1.1
107.08634	1.5
115.05464	14.4
118.04146	10.0
119.04953	3.0
120.05741	1.0
121.10168	1.1
127.03936	1.3
131.04932	13.0
132.05685	1.4
133.02867	1.5
133.06494	59.8
135.08083	1.2
136.07602	2.4
137.05989	2.4
143.04984	1.4
143.06010	5.6
146.03633	1.4
147.04411	6.4
148.05190	5.9
154.05025	1.2
161.05986	100.0
163.07553	12.2
173.06021	1.2
175.07503	0.8
177.05623	1.0
179.07028	2.5
181.04912	1.1
191.07036	64.8
191.14325	1.5
193.08615	45.3
201.05470	1.2
205.40901	1.0
209.15355	1.4
226.07346	1.1
227.08093	1.4
227.16423	2.8
241.09798	1.3
255.39929	0.8
267.19690	1.0
268.12024	1.5
285.20404	0.9
287.10236	2.7
296.97507	0.9
303.04968	2.0
305.11362	2.9
313.11740	1.4
314.12540	2.0
321.17813	0.9
342.12036	1.0
357.10583	4.9
389.12839	1.6
445.16330	0.9
491.16418	2.7
519.16174	8.3
551.18433	5.6
551.28943	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75170	2.2
53.03938	6.3
55.01864	5.8
55.05520	22.0
56.05828	3.4
57.03440	21.6
57.07072	5.8
65.03929	3.1
67.05510	81.0
69.07072	24.1
69.35648	22.3
71.01323	3.5
71.04983	2.8
79.05068	4.7
79.05498	65.7
81.03416	11.1
81.07066	65.1
82.07382	2.4
83.04971	17.8
83.08621	10.9
85.06561	3.1
91.05495	31.7
93.07049	84.3
95.04957	6.6
95.08617	39.9
97.06534	12.8
97.10178	12.1
98.20774	4.1
105.07043	14.1
107.08606	39.8
109.10169	18.7
111.08124	3.7
117.07019	7.2
119.08630	13.3
121.10126	24.2
123.11681	3.7
129.06976	2.8
131.08568	8.0
133.10152	12.1
133.66434	3.0
135.10703	3.5
135.11707	58.1
145.10133	13.3
147.11699	5.4
149.13338	3.1
153.12769	7.1
159.11687	3.6
163.11156	9.1
163.14857	3.7
181.12256	18.7
243.21143	3.0
255.15956	100.0
261.22177	11.6
262.25201	3.1
267.15857	3.3
268.16122	2.8
326.49911	2.7
335.25824	81.5
339.28775	2.9
340.29123	4.3
419.05319	2.6
472.52872	2.6
473.57901	3.1
515.37396	88.7
532.40259	10.2
550.24823	7.2
550.41418	5.5
550.62939	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	551.1034
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03741	0.1
53.03948	1.6
55.01873	1.8
57.03230	0.1
57.03439	1.2
61.02935	0.8
62.79712	0.1
65.03923	0.2
67.01875	0.1
68.99796	1.3
69.03432	6.2
70.83254	0.1
70.83578	0.3
71.04983	1.0
73.02921	1.5
81.03419	7.9
83.01299	0.2
84.08166	0.1
85.02908	11.7
87.00830	5.5
87.04474	0.2
91.03970	0.6
93.03410	0.2
93.07020	0.1
95.04983	0.2
97.02891	4.1
99.04462	2.9
105.01875	3.3
109.02882	6.8
110.26020	0.1
111.00814	0.9
115.03901	0.2
117.01865	1.2
117.07013	0.2
120.45949	0.1
121.02874	0.8
123.00835	0.1
123.04421	0.2
127.03922	10.2
129.01840	0.9
137.02348	2.8
137.05974	0.2
145.03903	0.2
145.04971	3.5
147.02913	0.7
149.02327	0.3
151.03902	0.1
153.00563	0.2
153.01826	3.1
159.02904	4.6
159.04254	0.3
161.05963	0.3
163.03923	0.5
165.01839	1.7
166.02702	0.3
171.02991	0.1
173.06030	0.3
177.01805	0.1
177.04024	0.1
183.02887	0.7
183.04356	0.2
184.46266	0.1
187.03928	0.3
191.03325	0.2
195.02831	0.2
201.05467	1.7
205.05002	0.2
207.03085	0.1
213.03940	0.4
213.05682	0.1
219.06725	0.2
228.04135	0.2
229.04974	4.0
231.05017	1.4
239.03429	0.1
247.06038	0.7
257.04440	2.5
267.19666	0.2
274.04739	0.7
275.05466	0.2
285.03970	0.9
303.04993	100.0
304.05331	0.4
345.06055	0.4
518.15350	0.1
533.17572	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	550.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
65.03934	1.5
69.03428	1.2
70.66817	2.1
70.67180	0.9
85.02912	4.2
87.04501	0.9
89.03895	2.6
91.05450	0.9
93.03395	2.6
97.02873	1.2
105.77090	0.8
111.04425	1.7
117.03385	7.5
119.04944	1.2
125.05988	6.9
131.04951	1.2
135.04393	1.3
137.05978	2.5
145.02847	35.2
146.03574	2.2
149.05989	5.6
153.05467	20.5
159.04457	2.2
161.05988	4.4
163.03877	5.9
163.07434	1.1
164.61125	1.0
175.07533	1.4
177.05469	74.3
177.51190	0.8
187.03902	3.7
189.05452	2.2
191.03362	5.2
191.07036	2.8
193.76895	0.8
195.06531	13.9
201.05447	1.6
202.02597	5.5
203.06976	4.3
205.04938	1.6
215.03409	4.1
217.04959	100.0
219.06538	8.8
227.07057	1.8
228.04272	0.9
229.04944	11.6
231.06593	1.9
233.04433	1.5
235.06000	2.5
243.06546	2.3
245.04440	11.4
245.08032	1.0
247.06029	13.4
252.88632	0.9
257.04398	1.0
271.06024	1.0
273.07645	2.0
275.05533	13.6
275.08371	1.3
289.07199	4.5
293.06540	27.1
305.06549	23.0
317.06482	5.7
335.07623	19.4
353.08676	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.7
55.01852	5.8
55.05517	28.3
57.03437	11.2
57.07052	9.8
65.03928	4.5
67.05170	6.5
67.05505	75.7
69.07068	30.8
70.03417	3.5
71.04990	10.7
71.56752	5.4
79.05499	35.5
81.07064	75.5
83.04963	17.8
83.08596	14.5
91.05478	62.3
93.07045	60.4
95.04956	11.9
95.08615	63.8
95.39528	4.1
96.35922	3.5
97.06554	5.6
97.10149	6.9
105.07030	66.1
107.04968	6.6
107.08597	60.3
109.06517	13.7
109.10164	63.8
111.08041	4.5
115.05479	3.5
117.07000	13.6
119.08597	60.2
121.06490	7.7
121.10143	38.3
123.08093	12.1
123.11720	11.0
125.09632	11.5
128.06192	6.3
129.07001	11.9
130.07780	7.0
131.08594	33.7
133.06433	3.8
133.10129	74.1
133.81421	3.9
135.08052	39.5
135.11693	15.7
137.09636	34.8
141.07040	10.0
142.07776	14.2
143.08536	33.2
144.09346	4.0
145.02858	14.7
145.10135	48.4
145.66193	3.5
147.08073	6.0
147.11676	17.9
149.09601	39.3
149.13242	10.6
151.11194	15.0
152.28607	4.2
154.89949	3.7
155.08568	13.4
156.09270	6.6
157.10120	42.8
159.08066	4.9
159.11699	33.1
161.09599	14.0
161.13310	6.5
163.11136	5.7
165.07051	5.6
167.08533	9.4
169.10110	29.0
170.10876	7.7
171.11684	22.4
173.09618	6.9
173.13268	20.2
175.11191	15.0
175.14787	9.3
177.05417	22.0
177.12688	6.8
179.08540	4.5
179.14317	5.8
181.10129	13.7
182.10887	4.7
183.11659	26.3
184.12555	4.6
185.09615	5.7
185.13271	17.8
187.11166	16.0
187.14865	21.7
189.12711	12.3
189.16356	11.1
193.10081	10.1
195.11731	15.7
197.09535	6.3
197.13246	15.4
199.11211	7.1
199.14882	19.9
201.12762	14.6
201.16339	7.8
203.14235	14.9
203.17900	4.0
207.11725	7.8
209.13176	21.0
210.13753	4.6
211.14874	8.8
213.12720	8.9
213.16243	8.4
215.14282	13.6
217.15816	23.0
219.13829	11.2
220.12437	5.6
221.13289	11.5
223.14798	10.7
225.16385	16.0
227.14397	8.7
227.17958	4.2
229.15895	13.2
231.17400	6.0
233.13126	6.0
235.14848	6.1
237.16400	7.9
239.14352	6.5
243.17529	7.3
243.21082	8.6
246.14064	5.3
249.16440	6.8
251.18091	7.4
253.14299	49.8
253.19525	15.8
259.10529	4.1
261.22086	14.9
263.17734	5.2
267.17499	5.8
267.21097	7.8
269.18918	6.3
271.15390	23.0
271.20435	9.8
281.19046	57.2
285.22098	10.1
295.20453	13.6
299.19977	5.3
307.20575	5.5
333.21967	4.6
335.26004	31.0
356.25543	4.7
393.27744	6.5
403.30130	19.4
405.28024	16.8
413.28323	15.5
419.29645	21.9
421.30960	11.9
431.29477	100.0
435.83218	4.0
449.30576	70.6
531.37201	16.7
549.24365	17.7
549.39008	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	549.3191
Annotation	(+)-Reblastatin
Peak:m/z	Relative Intensity
53.03952	0.6
54.12894	0.4
55.05505	1.6
57.03438	1.3
57.14069	0.6
61.95116	0.4
67.05514	2.3
69.07076	1.1
71.55283	0.4
79.05505	2.1
81.03431	0.6
81.07065	5.6
83.01108	1.4
83.04985	1.6
87.47897	0.4
91.05487	3.1
93.07043	3.7
94.56522	0.4
95.04961	0.8
95.08597	2.5
97.06551	0.9
103.05475	0.5
105.03420	0.4
105.07022	3.9
107.04971	1.0
107.08603	3.1
109.06533	1.9
109.10166	2.2
111.08114	0.4
117.07042	0.8
119.08595	3.5
120.69833	0.4
121.06397	0.9
121.10135	3.5
129.07022	1.5
130.30334	0.4
131.08572	3.3
132.25609	0.4
133.10155	2.8
135.08058	2.8
135.11687	0.9
137.09666	1.5
142.07823	0.6
143.08589	1.7
145.10141	2.9
147.08073	1.0
147.11696	1.2
149.09604	2.6
149.13271	0.5
155.08612	0.7
156.09390	0.9
157.10091	2.1
159.07919	0.5
159.11659	2.3
160.12457	0.7
161.09593	1.1
161.13240	0.8
163.11154	0.6
169.10127	1.0
171.11667	1.3
173.09660	0.7
173.13339	1.5
175.11218	0.9
183.11729	1.0
185.13277	1.8
187.11237	0.7
189.12833	1.0
195.11700	1.1
197.13312	0.5
199.11218	0.8
201.12784	0.6
207.11786	0.5
209.13261	0.8
235.14804	0.5
245.07982	0.6
258.16077	0.5
259.54767	0.4
391.22681	0.6
395.25537	0.6
426.67374	0.5
489.29773	15.3
500.55222	0.5
530.32739	1.7
549.31909	100.0
550.32111	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37983	0.6
55.05506	2.4
57.03439	1.2
57.07069	1.0
59.29196	0.7
67.05511	5.4
67.45748	0.6
69.07055	2.8
69.47459	4.9
71.04962	0.9
79.05498	2.6
81.03449	1.7
81.07051	4.5
83.08619	2.0
91.05482	2.2
93.07032	3.3
95.04971	1.3
95.08617	4.0
97.10178	0.7
99.08102	1.2
100.60990	0.7
105.07047	2.4
107.08596	1.5
109.10170	2.9
109.50834	0.6
119.08628	1.6
121.10155	1.8
122.35723	0.7
123.27155	0.7
127.03692	1.6
131.04962	1.0
131.08582	0.7
135.11731	1.6
136.21555	0.8
147.11667	1.0
156.90097	0.7
169.10231	0.9
177.16510	0.7
184.07326	0.9
210.06030	0.6
217.82872	0.7
260.24646	1.2
267.15976	1.9
277.25284	1.0
278.25568	1.1
278.63284	0.7
339.28827	1.9
341.19388	0.7
343.21198	1.2
344.15292	0.7
352.29358	1.7
401.21210	1.8
403.24539	1.0
445.25702	5.4
457.36868	1.5
463.26682	48.7
495.21085	0.7
531.40173	2.3
549.30444	100.0
549.39233	3.2
550.31451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.3
55.01873	6.2
55.05507	14.8
55.75610	1.7
57.03453	2.2
57.07075	2.8
59.04988	1.9
63.80429	1.9
65.03935	3.1
67.05508	33.2
69.03429	8.2
69.07077	14.4
71.04987	3.0
73.87428	1.7
79.05495	29.2
81.03428	18.6
81.07059	32.5
83.04987	7.8
83.08620	6.7
85.06546	3.4
91.05484	42.4
93.07054	36.9
95.04975	27.9
95.08614	22.2
97.06515	3.5
98.21504	4.9
105.03397	39.5
105.04508	4.6
105.06385	3.0
105.07040	34.8
107.04944	6.7
107.08597	27.6
109.06506	11.3
109.10165	27.6
117.07048	12.6
119.04946	4.1
119.06110	2.6
119.08588	28.5
121.06496	9.5
121.10183	14.9
123.08080	5.7
123.11752	4.2
128.06226	5.7
129.07043	7.3
131.04941	4.1
131.08588	20.3
133.06514	7.0
133.10143	37.8
135.08057	13.6
135.11708	7.0
137.09630	6.3
141.07024	2.7
142.07782	7.8
143.08571	15.0
144.09361	2.8
144.49808	1.9
145.06480	4.4
145.10132	21.0
147.08075	15.4
147.11697	7.9
149.09637	9.7
149.13271	3.9
151.11192	14.2
154.07816	2.1
155.08575	10.8
156.09384	4.1
157.10149	18.1
158.10881	3.2
159.08058	23.2
159.11702	10.3
160.08827	2.3
161.09631	25.5
161.13272	4.7
163.07468	3.0
163.11174	2.0
165.07010	3.5
167.08557	4.3
169.10112	10.3
169.12312	2.8
170.10873	2.9
171.08066	7.3
171.11725	9.3
172.08868	4.3
173.09618	43.1
173.13283	7.6
175.11241	11.8
175.14905	2.8
179.08669	3.5
179.10706	7.6
180.09207	2.1
181.10097	8.5
182.10899	2.8
183.08054	4.4
183.11699	12.6
184.08894	2.4
185.09671	9.2
185.13257	7.3
186.10410	5.1
187.11217	17.6
187.14851	3.3
189.09134	3.7
189.12767	6.1
193.10138	6.7
194.10983	2.3
195.08000	2.4
195.11740	8.9
196.08832	3.1
196.12486	2.5
197.09665	10.1
197.13313	6.9
198.10504	2.1
199.11180	11.8
199.14799	3.4
201.12782	16.8
201.16460	2.4
203.10545	3.0
206.10921	4.1
207.11661	5.3
208.08965	2.2
208.12466	4.5
209.09677	6.7
209.13261	13.5
210.10472	3.6
211.11183	14.9
211.14825	2.5
212.11946	2.0
213.12746	20.4
215.10655	5.6
215.12810	9.4
215.14569	2.1
217.10139	2.2
217.16016	2.5
217.59363	1.7
218.10921	2.9
219.11685	4.2
219.13760	3.0
221.09799	2.3
221.13289	5.3
222.10464	3.0
222.14012	2.2
223.11176	7.7
223.14850	8.0
224.12050	4.2
225.12747	14.3
225.16397	2.1
227.14345	8.0
229.12280	4.3
231.13754	10.6
233.13293	4.5
235.11179	5.4
235.14781	5.1
236.11922	3.7
236.15654	2.3
237.12700	12.7
237.16302	4.0
238.13538	5.4
239.14357	11.4
247.15088	2.7
249.12666	5.1
249.16660	3.4
251.14320	8.5
251.17969	6.3
252.15155	3.3
253.14389	6.3
259.14648	2.3
261.12711	2.8
261.16437	4.0
261.22110	3.1
263.14368	4.3
264.15012	2.6
265.15918	7.0
267.17545	5.0
271.15393	15.0
275.14334	2.9
277.15939	2.8
279.17520	10.1
281.18900	4.1
291.17450	4.2
293.15460	8.7
297.18420	2.7
303.13824	2.9
305.18976	3.4
307.16965	2.6
315.17181	2.7
317.15353	5.0
329.19064	2.4
331.16934	24.5
331.20630	4.9
333.18475	6.8
333.22134	3.4
335.20038	5.4
335.25742	7.7
339.19675	2.1
341.21399	3.2
343.16809	2.4
343.20569	4.3
345.22168	8.0
347.20090	35.3
349.17917	4.0
349.21603	13.6
355.20520	5.7
358.19162	3.1
361.21606	15.0
363.23175	6.3
365.21112	6.7
373.21658	100.0
379.22534	14.3
381.24200	5.5
391.22690	91.7
405.27783	2.9
409.23752	96.2
427.24768	7.7
431.29471	8.4
449.30478	8.8
531.27930	3.2
531.36920	7.0
549.30151	3.2
549.32556	2.3
549.38086	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.5
53.53046	1.0
55.01862	1.7
55.05505	3.4
59.91194	1.1
67.05502	6.9
69.03438	3.3
69.07089	2.8
71.55719	1.7
79.05498	7.9
81.07066	7.9
83.04976	3.2
85.06576	1.2
87.49213	1.3
91.05488	10.4
93.07043	10.3
95.04990	8.4
95.08626	8.5
97.06538	4.6
99.04578	1.1
103.05475	43.5
105.04578	1.2
105.07041	13.4
107.04944	1.5
107.08588	7.9
109.06532	3.9
109.10174	2.3
115.05469	1.9
117.07017	4.4
119.04896	1.4
119.08594	17.7
121.06499	2.4
121.10157	5.1
123.08079	16.2
128.06244	3.1
129.06990	5.8
130.07753	1.5
131.04936	100.0
131.08551	7.7
133.06496	2.3
133.10147	9.1
135.08066	11.1
137.09619	1.7
141.06972	2.5
142.07776	3.9
143.08566	14.3
144.09360	1.8
145.06499	3.1
145.10144	11.7
147.08032	8.0
147.11714	1.4
149.09622	3.7
151.07582	1.7
153.06984	2.0
153.09058	1.5
154.07721	2.3
155.08623	5.4
156.09357	10.6
157.06453	1.6
157.10143	16.6
158.10892	1.6
159.08083	5.7
159.11725	8.0
161.09618	5.3
161.13330	1.3
163.07538	5.3
163.11217	3.3
165.06989	2.3
166.07790	2.6
167.08589	5.3
168.09322	4.6
169.10144	13.5
170.10895	5.8
171.08037	4.4
171.11702	15.0
173.09584	5.5
173.13272	4.5
175.07544	1.2
175.11169	1.6
179.08566	4.2
180.09303	1.7
181.10103	9.2
182.10919	5.4
183.08044	4.8
183.11694	11.2
184.08788	1.2
185.09648	5.0
185.13254	4.8
186.10410	1.9
187.11197	4.0
187.14915	1.9
189.09103	2.8
191.10680	1.4
192.09451	2.3
193.10162	5.5
194.11040	2.2
195.08102	2.3
195.11720	6.6
196.12508	2.3
197.09625	11.4
197.11232	1.3
197.11549	1.3
197.13234	9.0
198.10403	2.4
199.11205	9.0
199.14789	8.4
200.11948	1.8
201.09140	2.9
201.12781	8.4
205.10246	2.3
206.10910	3.4
207.11743	4.9
208.12598	2.7
209.09502	6.0
209.13271	6.5
210.10416	2.7
211.11208	5.2
211.14848	13.8
212.11990	3.7
213.09068	1.6
213.12764	3.5
215.10706	1.6
215.14456	2.1
216.09450	1.3
217.08458	1.8
217.10193	3.0
217.15881	2.9
218.10950	3.0
219.11847	5.7
220.12425	3.5
221.09700	2.0
221.13385	5.3
223.11250	3.1
223.14824	3.0
225.12743	4.5
226.09991	2.5
227.10858	5.6
227.14340	13.2
229.10213	3.0
229.12291	1.8
229.15927	2.6
230.11018	2.4
231.11702	4.6
232.12494	2.8
233.09590	2.7
233.13374	1.6
234.10448	1.5
234.14072	3.3
235.11345	2.2
235.14795	5.4
236.11914	1.8
237.09105	1.8
237.12714	1.9
237.16350	1.3
239.10701	1.3
239.14290	1.9
241.12305	1.6
243.11725	2.2
243.13937	2.7
244.12459	4.0
245.13229	3.6
245.15425	6.2
246.14104	4.0
247.11345	10.1
247.14914	5.3
248.12032	1.5
248.15750	1.6
249.16403	5.8
257.13431	1.9
259.11151	1.6
259.14844	5.0
260.11932	2.8
260.15579	2.9
261.12869	2.1
261.16403	3.3
262.13474	7.5
263.14343	11.0
264.15250	1.3
265.15887	5.3
267.17258	1.9
271.17111	1.8
272.11984	2.3
273.12915	1.8
274.13589	1.8
275.10788	2.9
275.14301	6.7
275.17789	1.2
276.14957	1.5
277.15884	17.2
277.19156	2.1
278.16736	3.2
279.13931	2.1
279.17426	4.0
281.15329	1.4
287.14395	6.8
287.17252	1.8
288.14850	1.5
289.15982	3.2
290.13025	4.4
291.14044	1.7
293.15506	2.7
293.18976	3.4
295.17035	3.8
295.20551	4.3
305.15366	11.0
305.19043	5.1
307.16745	2.5
308.17722	4.4
311.16510	1.4
313.18106	1.3
313.21478	1.7
315.13715	3.7
317.15317	1.6
321.14847	15.5
323.16449	6.1
323.20087	31.4
333.14868	25.2
335.16705	1.4
341.17450	2.0
341.20996	6.5
347.16464	3.4
351.15866	12.5
353.17267	1.3
355.18869	1.5
365.17462	22.9
369.16870	2.1
383.18314	9.3
383.22467	2.7
401.19315	8.8
403.18802	1.4
412.13608	1.2
415.15698	1.3
517.22437	2.8
549.28186	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	549.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90279	0.5
53.03945	0.9
55.01873	1.7
55.05516	14.9
57.07059	0.6
67.05502	2.2
69.03423	2.5
69.07069	0.9
69.58908	3.1
74.51429	0.5
79.05495	1.1
81.03438	2.3
81.07065	2.0
83.04990	20.9
91.05486	5.3
93.07055	3.3
95.04973	3.4
95.08615	2.2
97.06547	1.0
98.21469	1.1
105.07043	4.2
107.08599	3.1
109.06548	1.4
109.10160	1.7
115.05473	0.6
117.07027	1.8
119.08590	4.9
120.68449	0.4
121.06509	1.1
121.10136	1.3
123.08045	1.3
128.06213	2.4
129.07024	2.0
131.08566	4.1
133.06506	1.3
133.10153	3.8
135.08063	1.6
137.09657	1.3
141.06996	0.8
142.07779	2.6
143.08589	3.6
145.06461	0.9
145.10155	1.6
147.08054	3.5
149.09634	1.9
153.06958	1.0
155.05988	0.6
155.08627	1.2
156.09387	1.0
157.10164	1.7
158.07271	0.7
159.08057	3.2
159.11734	0.7
161.09630	5.5
165.07028	3.1
165.09100	3.6
166.07788	2.7
167.08588	2.5
168.09375	0.8
169.10143	1.6
171.08066	1.1
171.11658	0.9
173.09650	3.1
175.11232	0.6
178.07800	1.5
179.08563	2.8
179.10715	1.8
180.09425	2.9
181.10193	2.2
183.08130	1.6
183.11710	2.0
185.09579	3.9
187.11243	1.5
190.07744	0.5
192.09357	1.2
193.10143	2.3
195.08064	1.7
195.11708	2.8
196.08852	0.6
196.62654	0.5
197.09625	5.7
199.11234	1.9
202.07745	0.6
203.08633	1.2
204.09425	1.1
205.10158	0.9
206.10954	0.6
207.11685	1.2
208.08862	2.7
209.09558	2.8
210.10510	0.7
211.11235	2.8
215.08656	0.9
216.09311	0.7
217.10179	1.6
218.10966	0.7
219.11786	1.3
221.09639	1.2
222.10489	0.8
223.11220	11.9
228.09500	0.6
229.10168	2.2
230.10919	2.3
231.08214	0.7
231.11678	2.6
232.09042	0.7
233.09700	1.1
233.13281	1.1
235.11249	2.0
235.14903	0.6
237.09189	1.0
237.12788	2.2
239.08568	0.8
241.10258	1.2
242.10919	0.6
243.11760	1.4
244.12560	1.6
245.09612	1.9
245.13336	2.9
246.10509	0.9
247.11154	2.4
247.14886	1.3
248.11906	1.3
249.12741	1.9
253.10155	1.2
254.11009	0.7
255.11760	2.2
256.08661	0.7
256.12473	1.3
257.09610	1.2
257.13260	1.7
258.10568	1.5
258.14188	0.6
259.11267	2.8
259.14941	0.7
260.12015	2.2
261.12860	2.8
262.13571	0.6
263.10840	0.7
263.14337	2.6
265.12451	0.7
266.10922	1.1
267.11719	1.2
268.12589	1.0
269.09897	0.9
269.13272	3.0
270.10510	0.5
270.13925	1.1
271.11374	1.2
271.14716	1.2
272.12048	2.0
273.12817	4.0
273.16290	1.0
274.13531	1.5
275.14288	2.8
275.17813	0.5
276.14996	0.6
277.15848	0.7
280.12460	1.6
281.09998	0.6
281.12927	1.0
282.10422	0.8
282.14008	1.1
283.11234	3.1
283.14838	1.7
284.12039	1.3
284.15659	0.9
285.12796	2.1
285.16412	2.1
286.13574	0.8
287.11200	1.0
287.14304	5.7
289.15927	1.0
291.13953	0.9
295.11301	1.4
295.14877	2.1
296.12006	1.1
297.12845	4.2
297.16006	0.9
298.13574	3.7
299.11026	0.7
299.14377	2.4
299.17514	0.6
300.15344	0.5
301.12436	1.0
301.16003	2.1
303.17453	1.6
308.12149	1.0
309.12814	2.3
310.13641	1.0
310.17203	0.7
311.14346	4.2
311.17609	1.0
312.15109	2.8
313.12396	0.6
313.15891	9.2
313.19543	0.9
314.13104	0.9
314.16556	1.2
315.13910	0.9
315.17355	1.1
323.14410	4.4
324.15121	2.0
325.15903	2.2
326.16760	1.4
327.13849	0.9
327.17343	4.0
328.18265	1.7
329.15298	1.8
329.19208	1.4
331.17136	1.1
338.16745	3.1
340.18243	1.2
341.15353	1.7
341.19083	4.2
343.20670	3.3
345.18408	1.0
347.20087	0.9
353.18958	9.4
355.17307	0.7
356.17825	1.7
359.16266	0.9
359.20212	0.9
361.21915	0.6
371.20068	14.9
374.18729	3.0
389.21152	12.0
391.40393	0.5
392.19958	0.7
431.22125	2.4
449.23245	5.7
537.59692	0.5
549.28522	100.0
550.29169	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.3
53.03941	3.6
55.05495	4.8
63.21173	1.0
64.03464	1.1
67.05489	5.6
69.03423	2.5
69.07051	1.6
69.21870	4.1
69.22298	7.6
77.03925	1.3
79.05484	5.4
81.03416	1.3
81.07078	5.8
83.04985	5.9
91.05487	9.6
92.62574	1.3
93.07051	8.3
95.04967	6.4
95.08613	6.8
97.06526	4.8
97.71678	1.2
98.20709	2.2
103.04797	2.6
103.05473	42.4
105.04527	1.2
105.07026	10.0
107.04929	2.2
107.08593	4.6
109.02847	1.1
109.06493	2.5
115.05424	2.1
117.06974	2.3
119.08594	14.5
121.06470	3.4
121.10130	3.7
123.08076	16.0
128.06227	3.3
129.07005	3.0
131.04938	100.0
131.08536	8.3
133.06477	2.3
133.10112	7.6
135.08069	10.0
137.05922	1.4
137.09616	1.9
141.06969	2.2
142.07756	4.4
143.08585	11.0
145.06433	2.1
145.10120	10.6
147.07982	6.1
149.09625	2.4
153.06982	2.9
154.07747	1.4
155.08582	7.7
155.09714	1.3
156.09360	7.8
157.06570	1.6
157.10133	14.0
159.08069	6.0
159.11693	4.8
161.09618	4.2
163.07547	3.6
163.11150	2.0
165.07045	2.5
166.07860	2.5
167.08527	5.0
168.09341	2.0
169.10162	8.8
170.10918	5.5
171.08028	5.5
171.11697	15.7
173.09630	5.4
173.13257	3.8
173.80621	1.3
175.07512	3.0
178.24098	1.5
179.08560	4.6
180.09360	2.0
181.10130	8.6
182.10912	5.9
183.08049	4.3
183.11711	13.1
184.08911	1.8
184.12395	2.4
185.09625	5.5
185.13261	5.7
186.10390	1.5
187.07574	3.3
187.11188	5.2
187.14906	1.7
189.09125	2.5
191.08635	1.2
191.10678	1.3
193.10109	4.9
194.10941	2.0
195.08096	2.4
195.11681	5.6
196.08972	1.4
196.12486	4.9
197.09677	14.1
197.13292	8.8
198.10378	3.3
199.07455	1.6
199.11185	9.5
199.14861	7.7
201.12743	8.0
203.08557	1.4
205.10172	2.5
206.10855	3.5
207.11681	4.5
208.12506	1.5
209.09583	5.9
209.13232	5.5
210.10307	2.8
211.07529	1.4
211.11252	5.9
211.14819	13.3
212.12035	3.1
213.12828	2.6
215.14328	2.6
217.10234	2.0
218.10999	2.5
219.11743	4.6
220.12469	2.9
221.13287	7.5
222.14227	1.9
223.14775	3.0
225.12706	2.5
225.16306	1.4
227.10707	6.5
227.14365	8.9
229.10048	3.5
229.12169	2.4
229.15829	3.0
230.10870	3.9
231.11732	5.4
231.13789	1.9
232.08771	1.9
232.12483	4.2
233.09642	2.8
233.13235	2.9
234.14046	4.6
235.11160	3.8
235.14812	5.5
237.12860	2.7
237.16275	1.3
239.14252	2.1
244.12468	4.7
245.09625	2.8
245.13258	3.3
245.15456	4.3
246.14079	3.9
247.11281	11.1
247.14845	5.0
248.11905	2.0
249.16449	6.0
251.14212	1.6
253.12376	3.9
253.15901	1.6
255.10048	1.8
257.09494	1.5
259.11096	2.1
259.14847	4.3
260.12112	2.3
261.12732	3.5
261.16403	3.5
262.13568	5.7
263.14282	7.0
263.17935	1.2
265.12601	1.4
265.15823	4.6
271.17007	1.5
272.11972	2.0
273.12619	2.9
275.10602	3.3
275.14279	5.9
276.15121	1.9
277.15942	21.2
278.16629	2.9
279.13513	1.2
279.17358	3.6
281.15518	1.4
287.14401	8.5
288.15289	1.4
289.12308	1.4
289.15784	3.6
290.12958	5.5
291.13644	2.6
293.15460	2.5
293.18857	2.8
295.16986	4.8
295.20355	2.7
296.17450	1.5
305.15298	18.6
305.19006	4.4
307.16986	1.7
308.17590	2.9
313.21725	2.3
315.13785	2.6
318.12460	1.6
319.16898	2.2
321.11371	2.2
321.14862	14.3
323.16318	7.0
323.20056	22.6
325.14258	1.4
333.14850	26.5
333.18408	1.1
335.16525	2.3
337.17953	2.8
339.15948	1.7
341.21161	4.0
347.16501	3.4
351.15958	15.4
365.17468	30.6
369.16797	2.1
383.18381	14.2
383.22433	1.9
401.19351	10.3
401.23746	1.5
471.25461	1.3
517.22003	3.8
531.23700	2.0
549.26868	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	548.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32428	0.8
55.05504	1.9
57.07071	1.2
62.53154	0.9
67.05505	5.3
69.07063	2.4
69.61119	5.5
71.05000	1.4
79.05495	7.5
81.03387	1.0
81.07061	34.0
83.08637	0.9
85.06522	1.2
91.05476	5.5
91.77546	0.8
93.07049	9.4
95.04956	1.9
95.08157	0.8
95.08618	9.4
97.06530	0.9
97.20500	0.8
105.07037	10.2
107.08595	11.9
109.06527	13.0
109.10159	5.3
111.08056	1.4
117.06998	2.3
117.46660	0.8
119.07793	1.2
119.08593	11.6
121.10146	8.3
123.08110	0.9
123.11730	4.6
129.07033	2.0
131.08595	7.1
133.10121	10.4
135.08060	4.3
135.11726	7.0
137.09639	1.0
137.13260	1.1
139.07597	0.8
142.07845	1.1
143.08560	4.0
145.10124	7.9
147.11679	6.5
149.09607	3.8
149.13293	2.1
151.11183	2.7
155.08585	1.3
157.10126	6.1
159.11684	9.8
161.09630	4.1
161.13248	4.0
163.11203	1.8
163.14760	1.1
169.10150	2.1
171.11705	3.5
173.13246	5.9
175.11249	2.2
175.14812	3.3
177.12752	1.9
177.16388	1.2
179.10774	1.5
182.10893	1.0
183.11681	2.7
185.13394	4.3
187.14775	3.8
189.12704	1.5
189.16377	4.8
191.14285	1.3
193.12209	1.6
195.11635	1.0
197.13242	2.1
199.14839	5.3
201.12758	2.0
201.16393	3.8
203.14264	1.5
209.13272	1.8
211.14810	1.1
213.16394	2.3
215.17863	3.4
217.15837	1.1
225.16328	1.3
227.14331	3.5
227.17943	2.3
229.15886	1.6
229.19501	4.4
245.15497	1.0
251.18010	1.4
255.21422	1.0
271.20367	1.1
273.22208	1.7
293.22604	2.3
295.24115	1.3
311.23743	1.7
329.24701	2.6
331.26321	1.1
335.27374	2.1
337.25107	1.5
353.28345	4.3
363.26819	6.6
365.28418	1.2
371.29501	1.5
381.27893	24.5
383.29300	1.1
399.28961	100.0
435.32596	3.0
453.33740	6.1
471.34564	8.3
548.39856	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	548.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23636	1.0
53.03924	1.0
55.05510	3.0
57.07061	1.4
57.23457	1.2
67.05502	4.7
69.07068	2.3
79.05507	7.0
81.07061	37.4
83.04958	2.0
91.05486	5.9
93.07037	7.2
95.08602	9.6
97.06551	1.2
105.07036	9.4
107.08597	12.6
109.06520	14.8
109.10147	7.0
117.07038	2.6
119.08579	9.9
121.10156	8.7
123.08098	1.5
123.11706	6.1
129.07011	2.7
131.08582	3.1
133.10139	10.2
135.08054	4.5
135.11705	5.3
142.07835	1.6
143.08566	4.6
145.10107	7.0
147.11667	5.0
149.09633	2.8
149.13232	1.4
155.08470	1.5
156.09309	1.4
157.10149	5.1
159.11717	8.6
160.12257	1.2
161.09650	2.8
161.13254	6.4
163.11159	1.9
169.10144	1.5
171.11678	3.7
173.13330	5.2
175.11140	2.0
175.14836	4.5
177.16350	1.3
179.10722	1.5
183.11646	3.3
185.13310	3.5
187.14828	4.1
189.16418	3.6
191.14360	1.5
195.11682	1.3
197.13292	2.5
199.14865	4.2
201.12715	1.3
201.16382	3.7
203.14273	1.9
203.17969	1.4
209.13190	1.6
213.16374	2.0
215.17978	4.0
223.14868	1.8
225.16368	1.5
225.26332	1.1
227.14412	1.7
227.17880	1.7
229.19510	2.4
238.90028	1.2
239.18164	1.3
264.92325	1.2
273.22232	1.7
293.22519	1.7
311.23581	2.3
329.24634	2.7
337.25375	2.4
353.28418	5.6
363.26700	2.4
371.29398	2.8
381.27835	15.9
399.28958	100.0
435.32471	2.1
453.33606	4.0
471.34988	6.3
485.15610	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
67.05504	1.9
69.03418	1.7
69.07086	1.2
70.06591	1.1
71.55092	2.1
79.05490	1.2
81.07069	1.4
82.06546	1.1
84.08115	2.3
85.02896	3.6
85.06502	1.0
91.05472	1.5
93.07040	1.5
95.04974	1.2
95.08595	1.8
97.02871	1.5
100.07631	1.4
105.07013	2.0
107.04951	1.5
109.10211	1.2
110.06123	2.0
116.19737	1.0
119.08570	1.6
121.10133	1.3
131.08591	1.1
133.10150	1.4
136.07591	2.1
137.06006	3.3
137.09602	2.8
144.97101	1.3
145.04979	1.5
145.10117	1.2
171.11763	1.4
175.07556	1.1
178.08676	1.9
181.04924	0.9
197.10736	2.8
198.07869	1.3
198.11531	1.6
199.08678	11.0
204.06514	1.4
207.13908	5.4
211.08699	11.2
212.09480	4.1
213.10262	11.7
214.07329	1.1
214.11031	3.1
223.06075	1.2
225.10219	15.8
225.14833	2.4
226.07370	11.6
226.10986	4.2
227.08163	18.6
227.11656	7.2
239.11870	7.0
240.09018	3.2
240.12552	4.4
241.09721	18.7
241.13445	1.9
242.10515	12.4
251.08226	1.3
251.11824	1.4
253.09731	9.2
254.10498	2.5
255.11276	10.7
257.12875	20.7
259.15381	1.6
267.11282	11.8
268.08527	2.1
268.12122	13.9
269.09232	2.8
269.12772	2.3
271.10797	1.8
280.12106	2.2
281.09216	2.2
283.10773	1.7
284.11441	1.7
285.12329	4.4
286.09488	1.9
286.13104	1.7
295.10840	7.9
296.11523	12.1
297.12369	2.7
298.13217	1.8
299.10208	2.4
299.13977	1.1
300.11142	2.0
313.11844	33.8
314.12579	16.1
315.13412	1.3
323.10168	1.7
341.11249	4.5
342.12119	60.6
355.12967	2.5
373.14029	7.7
374.14709	2.5
383.12463	1.8
386.21841	2.9
387.21964	6.5
401.09787	2.8
411.11951	1.7
417.12961	1.5
429.13208	2.4
433.16226	1.4
443.14560	4.6
455.15231	1.5
457.12210	4.8
471.14160	5.7
473.15668	4.0
489.15076	29.5
499.13354	2.9
517.14551	100.0
518.14673	1.5
531.15643	2.2
549.17133	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.1
53.03946	2.4
55.05510	1.5
57.21223	1.2
60.81800	1.1
67.05505	2.8
69.03426	4.1
70.06596	3.3
73.02908	1.2
76.02215	1.2
77.31504	1.3
80.07685	1.0
81.03435	5.0
81.07062	1.8
84.04501	1.3
85.02927	5.6
86.09725	1.1
87.41055	1.2
91.05483	3.7
93.07066	2.4
95.08617	1.6
96.92132	1.0
97.02897	10.8
99.04448	2.5
100.07640	2.4
103.03958	1.2
105.07041	8.3
107.08608	1.9
107.26418	1.2
109.02904	6.5
109.06513	1.7
109.10195	1.2
115.05455	1.2
116.07127	2.1
117.07026	3.7
119.08599	4.0
121.10120	1.4
121.72718	1.0
123.08058	3.1
127.03925	9.6
128.06226	1.8
129.06995	3.5
130.07782	1.6
131.08575	16.3
133.06497	1.8
133.10136	5.5
142.07758	2.5
143.08585	10.5
145.04939	2.5
145.10136	22.5
147.08047	10.0
147.11678	3.6
149.09550	1.2
151.07536	3.6
155.08539	10.7
157.06540	1.5
157.10156	10.8
158.07263	2.1
159.08044	2.0
159.11743	1.1
161.09625	6.5
162.70529	1.2
163.11246	1.7
171.08066	8.8
173.09631	42.4
175.11205	11.1
177.09140	5.0
179.04814	2.4
183.08083	5.2
185.09605	2.2
189.09102	14.2
189.12701	2.1
191.10704	9.7
201.09105	25.5
203.10657	2.3
207.10150	1.1
207.13705	2.3
217.08572	7.5
219.10175	100.0
221.11835	1.5
235.09593	2.6
237.11137	6.1
242.05051	1.1
247.09726	6.1
265.10733	33.5
307.11597	1.5
308.09158	1.7
343.11761	3.7
345.13370	2.5
351.91321	1.2
361.12881	8.4
363.14557	2.7
373.12866	10.1
379.14175	1.2
381.15540	2.4
386.21198	1.7
391.13882	27.5
409.14948	34.7
427.15601	1.6
513.19501	3.3
528.14587	1.2
531.24329	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	548.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77471	0.3
53.03950	1.6
54.49559	0.2
55.01867	0.3
55.05503	0.4
57.07065	0.3
58.06609	0.3
59.79931	0.2
61.01154	1.0
61.02934	0.3
63.89806	0.2
67.04245	0.3
67.05489	0.5
69.03430	0.7
70.02957	0.4
70.21429	0.4
71.04995	0.5
72.04529	0.9
73.02924	0.6
76.07655	0.3
78.03803	1.2
79.05476	0.5
80.05025	2.6
81.03440	0.4
81.07084	0.5
82.06589	8.6
83.04990	0.4
85.02912	1.1
85.06554	0.5
88.02217	0.3
91.05467	0.4
93.07063	0.4
94.06572	1.7
95.04956	0.4
96.04488	0.6
97.02907	0.3
98.02422	1.4
101.06051	0.5
102.03769	0.9
105.07071	0.3
107.04954	0.5
108.04487	100.0
109.02891	0.3
109.04877	0.3
113.05992	0.4
114.03763	1.8
115.05039	1.5
115.27750	0.2
119.08575	0.4
121.27547	0.3
121.32333	0.2
124.07642	0.3
127.03928	0.4
130.08710	0.3
131.08623	0.5
132.04785	1.2
133.10107	0.4
135.08034	0.3
137.07092	2.4
141.04869	0.5
141.06577	2.1
142.08647	1.7
145.10123	0.4
149.07393	0.5
158.02733	1.6
168.04778	0.4
175.05376	8.3
179.08179	11.6
184.09715	0.7
193.12335	0.3
195.05919	0.2
198.10226	0.2
213.12785	0.4
213.51317	0.3
214.13179	0.4
238.10175	0.3
243.11624	1.0
243.13878	0.5
256.11166	47.3
261.12723	1.0
280.44125	0.2
368.16418	20.8
381.71597	0.2
408.11829	0.3
470.26385	0.4
530.28314	0.6
548.29572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.7
55.01873	6.1
55.05519	37.0
57.03445	14.9
57.07074	10.3
65.03934	3.5
67.05512	81.8
69.03430	2.8
69.07076	33.2
69.41406	0.8
71.04999	6.8
71.08631	3.6
71.19553	1.4
72.04521	6.3
79.05502	41.3
81.03425	59.6
81.07065	76.8
83.04987	6.8
83.08147	1.8
83.08632	33.0
85.02907	3.7
85.06567	4.5
85.10183	1.8
91.05491	39.4
91.56659	0.9
93.07058	44.1
95.04979	31.8
95.08617	56.9
96.08949	1.0
97.02912	1.9
97.06537	8.3
97.10179	20.7
99.08135	1.7
105.04550	1.3
105.07043	29.8
107.04966	10.3
107.08602	25.7
107.09296	1.6
109.06529	4.4
109.10164	28.1
111.04466	1.1
111.08097	8.9
111.11716	2.7
113.09688	1.2
115.05477	1.9
117.07016	8.1
119.04994	1.3
119.08593	25.8
121.06524	8.0
121.10156	20.7
123.04439	1.3
123.08083	5.7
123.11722	9.4
125.09642	12.0
129.06999	9.3
131.08582	14.5
133.06506	2.7
133.10138	16.8
135.08060	5.4
135.11703	12.8
137.09628	3.3
137.13298	4.9
139.11197	2.0
141.06981	1.5
142.07777	2.3
143.08583	4.1
144.58279	0.9
145.10129	10.1
147.08076	4.0
147.11708	9.7
149.09642	4.0
149.13225	4.4
151.11217	1.5
151.14873	1.7
155.08572	2.0
155.14310	1.0
157.10132	8.8
159.08131	1.5
159.11696	4.4
161.09663	2.2
161.13297	6.1
163.11229	6.4
163.14859	3.4
165.12823	2.5
169.10207	1.5
171.11684	2.9
173.13338	2.7
175.11203	7.4
175.14857	5.1
177.12785	2.0
177.16443	3.1
183.11751	2.3
185.13280	2.7
187.11153	0.9
187.14842	2.3
189.11244	7.9
189.12737	1.6
189.16425	2.5
191.14421	1.2
191.17923	1.6
193.12270	26.6
193.15919	1.1
199.14882	2.0
201.16284	1.2
205.12292	1.9
207.13884	1.2
211.13217	6.1
215.17990	1.5
217.19606	1.0
223.13350	1.5
225.16402	1.0
227.12778	11.5
228.11064	1.2
228.13197	3.3
231.17430	1.2
234.14990	1.3
241.18073	3.2
245.22707	5.9
247.17004	1.3
249.14944	3.7
255.19682	1.9
261.22131	1.5
263.23727	8.5
267.15948	54.0
275.20135	1.6
287.23657	2.0
289.21640	2.8
301.25131	1.7
303.23431	1.6
303.26813	9.9
305.24887	1.7
317.24973	1.3
319.23004	1.2
329.21152	1.1
329.24796	1.8
337.27399	52.5
343.22638	1.2
343.26440	2.2
357.28076	1.3
361.27454	1.8
363.25464	1.6
397.26019	2.6
403.24915	2.5
417.26364	1.4
419.33026	1.4
421.26044	3.6
427.35687	1.4
435.27280	2.0
437.34076	7.4
437.57452	1.1
449.28772	1.3
455.35303	19.2
473.36319	11.1
491.37405	1.6
503.37335	2.1
511.37872	1.6
529.38947	82.6
547.25922	4.0
547.39966	100.0
548.40436	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.3
54.20711	2.0
55.01877	4.6
55.05307	2.3
55.05522	26.1
56.41682	2.0
56.91534	2.1
57.03438	13.4
57.07072	6.4
65.03946	3.8
67.05511	95.9
69.03436	3.4
69.07074	34.1
70.14492	9.7
71.04991	5.1
71.08630	3.8
79.05065	3.2
79.05502	51.9
81.03424	32.2
81.06579	5.0
81.07064	100.0
83.04984	8.7
83.08628	24.1
85.06561	4.4
91.05482	42.5
92.09551	2.2
92.17094	2.5
93.07052	55.5
95.04969	18.7
95.08617	64.8
97.06509	11.0
97.10185	14.9
102.16172	2.3
105.07047	35.1
107.04979	5.8
107.08602	37.5
109.06527	8.3
109.10156	30.2
111.08102	6.4
115.05515	3.0
117.07018	12.0
119.08596	31.3
121.06487	4.2
121.10158	26.2
123.08074	5.1
123.11713	10.0
125.09666	8.5
129.07045	12.6
131.08609	19.4
133.10155	22.7
135.08121	3.7
135.11714	19.1
137.09647	3.2
137.13240	3.9
141.07002	2.5
143.08565	5.0
145.10182	15.3
147.11685	13.9
149.09575	3.1
149.13284	15.4
151.11177	2.9
157.10181	11.5
159.11699	16.1
161.13263	8.8
163.11188	3.0
163.14879	4.6
165.12779	3.5
169.10138	5.6
171.11731	8.0
173.13251	7.0
175.11198	4.8
175.14842	5.7
177.12695	3.6
177.16403	3.5
185.13300	6.1
187.14931	4.1
189.16432	2.9
193.12279	14.0
195.11746	2.4
195.13843	6.2
211.13297	4.3
227.12854	3.6
229.14354	2.7
243.21146	3.2
243.48190	2.3
245.22777	3.4
249.15129	3.2
261.22162	9.1
263.23865	3.9
267.15967	26.3
269.17471	20.3
275.20132	3.0
301.25125	2.4
335.25735	17.9
337.27570	22.3
361.27386	3.0
437.34360	8.9
455.35562	13.6
473.36319	9.3
511.37601	4.0
529.38934	89.3
547.39886	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.0
55.01880	5.5
55.05519	19.1
60.52410	4.1
67.05513	26.0
69.03412	16.3
69.07076	20.3
70.06587	6.6
70.66251	10.7
71.04993	25.3
79.05501	30.1
81.03416	10.2
81.07049	33.2
82.38007	3.6
83.04985	100.0
85.02888	15.1
85.06543	12.8
91.05480	36.7
93.07061	34.3
95.04958	21.7
95.08626	25.7
97.02879	9.4
97.06539	23.9
99.04420	4.4
99.08093	5.5
101.06020	19.9
103.05495	6.5
105.07028	47.1
107.04965	10.7
107.08604	29.3
108.04500	28.6
109.02879	10.9
109.06513	18.7
109.10143	9.8
111.08094	5.9
115.05446	6.6
117.07021	16.9
119.08582	41.5
121.06506	12.3
121.10139	9.0
123.08040	9.2
125.05997	8.9
127.03906	10.8
127.07533	8.8
128.06184	4.6
129.06992	17.9
130.07774	4.9
131.08572	30.8
133.06520	8.5
133.10121	21.2
135.08034	16.4
135.11700	6.5
137.06004	9.0
137.09648	8.1
141.06931	7.9
142.07765	11.9
143.08589	20.8
144.05745	5.0
145.06480	7.5
145.10117	33.5
147.08026	16.0
147.11674	11.3
149.09621	21.2
151.11116	7.3
154.07758	7.8
155.08559	11.6
156.09328	17.7
157.10109	29.9
158.07278	5.0
159.08044	16.4
159.11708	21.7
161.09593	20.3
161.13281	4.3
163.07512	5.3
163.11104	8.2
165.06995	9.6
165.09181	5.3
167.07027	3.5
167.08578	9.9
167.10735	4.7
169.06523	5.0
169.10097	13.7
170.10846	8.0
171.08046	7.9
171.11676	25.6
173.09586	30.8
173.13269	9.7
175.11214	16.2
179.08357	7.2
179.10741	4.9
181.10097	13.4
182.10904	9.5
183.08047	14.7
183.11655	13.4
184.08839	12.3
185.09583	18.7
185.13222	9.5
186.10318	6.5
187.11115	10.6
187.14893	4.6
189.12750	7.3
191.10669	15.5
192.09326	8.4
193.10133	16.4
193.12015	4.8
195.08096	4.8
195.11726	20.2
196.08887	4.6
197.09641	18.1
197.13251	13.1
198.10406	18.6
199.11218	41.8
200.11986	21.7
201.09128	16.8
201.12704	10.9
203.08661	5.1
203.10687	11.0
205.12180	5.3
207.11687	15.7
208.12437	4.7
209.09525	5.5
209.13249	9.4
210.10283	6.2
211.11148	15.4
213.12735	43.8
215.14297	16.8
219.11670	6.8
221.13298	11.5
222.10349	4.2
223.11150	10.5
223.14931	5.3
224.11952	5.4
225.12711	34.0
227.07076	4.4
229.54793	4.0
235.11148	7.0
237.12711	13.6
239.14209	6.1
241.12219	16.1
243.11606	6.5
243.13811	56.8
245.13235	5.0
247.15059	4.9
248.11806	4.9
249.12744	4.2
251.14189	11.2
255.13858	6.5
256.11148	11.1
256.21515	4.2
259.13275	4.1
261.16324	4.9
263.14197	5.1
273.14844	5.9
275.14407	5.5
277.16138	5.2
279.17368	5.0
283.16998	11.2
289.15845	4.9
289.19232	4.5
299.10437	5.4
303.16016	4.6
309.18625	6.0
331.20517	5.8
333.18726	6.2
347.20145	5.8
349.21530	10.7
350.90991	4.0
361.21432	5.0
363.18610	4.8
363.22903	6.3
368.16248	6.7
373.21481	6.2
380.68265	5.2
391.22574	19.8
392.24240	4.0
409.23755	36.8
427.24612	13.2
429.22726	6.0
451.24689	10.8
469.25964	18.7
487.26593	6.3
511.26337	4.5
529.28027	93.9
547.20593	5.4
547.28387	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	547.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.8
55.01863	9.9
55.05508	17.2
55.41230	3.4
58.77798	4.2
63.81789	3.5
65.03951	5.3
67.05495	16.0
69.03431	10.7
69.07068	5.2
69.49453	4.2
79.05517	18.8
81.03416	16.5
81.07058	20.8
83.04986	31.9
85.02917	6.3
85.06496	3.8
91.05499	36.6
93.07038	22.1
95.04983	24.8
95.08629	11.4
95.65999	4.0
97.06551	3.9
103.05467	13.7
105.07033	41.6
107.04946	7.3
107.08602	16.3
109.02898	4.8
109.06517	9.1
109.10171	6.1
111.04465	3.6
115.05458	11.1
116.06252	5.7
117.07043	23.8
119.04997	6.9
119.08589	50.2
121.06525	12.2
121.10143	8.5
123.04462	6.7
123.08105	9.8
128.06259	4.8
129.06987	17.3
131.04915	26.7
131.08591	29.2
133.06511	16.6
133.10135	32.6
135.08081	15.8
141.07011	9.5
142.07777	14.0
143.08528	27.4
144.09320	5.3
145.06499	14.8
145.10139	31.1
147.04417	4.0
147.08081	29.0
147.11656	8.4
149.09666	11.7
151.07576	5.0
153.06970	4.3
155.08591	14.3
156.09355	16.3
157.10129	48.3
158.10912	4.6
159.08086	23.8
159.11723	33.3
161.05991	16.0
161.09619	18.9
163.07567	25.7
163.11238	6.4
165.07007	5.2
165.09106	4.1
168.09406	6.1
169.06581	4.8
169.10152	28.5
170.10919	11.0
171.08046	10.7
171.11713	60.2
172.08946	6.9
173.06009	5.1
173.09631	17.2
173.13295	12.9
175.07576	14.1
175.11237	12.8
177.09135	9.3
181.10127	12.0
183.08154	6.8
183.11711	65.8
185.09625	19.3
185.13242	29.8
187.11220	23.0
189.05331	4.1
189.09076	10.1
192.09372	5.4
193.10272	7.5
194.10851	5.1
195.11722	16.7
197.09659	14.4
197.13263	14.8
198.10320	4.8
199.11226	17.1
201.09103	7.8
201.12750	19.7
203.10643	6.3
204.09372	6.2
205.10187	6.6
205.12238	4.8
206.10944	4.8
207.11743	11.8
207.13763	3.9
209.09633	9.2
209.13303	13.0
211.11079	18.4
213.09111	11.2
213.12741	27.6
215.10739	7.7
217.12157	8.6
218.11073	7.1
219.11758	13.3
221.09639	4.4
221.13300	16.2
222.14278	4.5
223.11183	9.6
224.11914	5.9
225.12712	7.8
229.12273	12.4
230.10966	5.4
231.11745	9.8
231.13808	10.3
233.13445	8.0
233.15417	5.4
234.13957	5.6
235.11102	9.6
235.15015	7.5
237.09041	5.6
237.12813	10.7
237.16226	4.9
239.10822	7.0
239.14307	6.6
241.12303	7.3
243.11728	6.7
243.13887	8.7
244.12531	9.8
245.13425	6.5
245.15517	8.6
247.15096	7.2
249.12769	6.6
249.16484	8.6
251.14352	5.7
255.11725	6.4
255.14001	5.3
257.13232	7.3
259.15219	5.6
261.12601	8.3
263.14273	9.6
265.12207	7.3
270.13953	7.9
279.13812	6.4
287.14233	5.7
291.13214	4.5
303.13748	5.4
303.17252	7.7
307.13501	5.9
307.16919	6.6
309.14920	4.6
313.15741	6.1
317.15140	4.6
317.18738	5.9
321.18546	7.2
329.15356	7.1
331.17004	16.9
333.14862	7.3
335.20139	6.7
337.18152	5.0
345.18637	15.4
349.17969	9.1
359.16489	9.9
361.18088	7.7
363.19492	9.4
373.17996	21.1
377.17383	7.0
387.19434	7.2
391.19153	14.3
401.17569	5.7
405.20630	12.4
415.18781	4.7
419.18536	12.4
423.21567	9.9
433.19913	10.5
437.19608	16.1
441.22214	4.2
451.21210	19.3
455.20419	7.0
469.22095	18.0
479.21106	4.5
479.28311	4.0
487.23254	7.7
515.23169	5.7
529.24280	100.0
530.24286	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	547.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40688	2.8
53.03944	6.1
55.01859	4.8
55.05504	11.4
56.39874	2.8
62.77602	3.2
65.03941	4.1
67.05515	20.3
69.03424	8.1
71.01354	2.8
71.40048	3.7
71.55396	3.8
79.05486	16.8
81.03407	6.9
81.07069	18.0
83.04990	10.4
83.08619	3.9
91.05483	33.2
93.07040	17.3
95.04980	20.2
95.08602	16.3
103.05476	47.1
105.07023	36.2
107.04958	6.2
107.08609	19.3
109.06525	7.3
109.10162	13.4
111.04453	4.2
111.08065	5.6
113.05892	3.0
113.94892	2.9
115.05456	9.4
115.13324	3.2
117.07006	24.6
119.04962	4.9
119.08588	44.2
121.06510	10.9
121.10151	11.4
123.08102	5.9
125.05970	3.6
128.06247	7.1
129.07014	17.6
130.07809	4.5
131.04938	100.0
131.08574	26.0
133.06514	12.6
133.10143	23.1
135.08067	13.1
135.11746	3.4
137.09596	3.7
141.07021	9.2
142.07860	5.7
143.08568	21.0
144.09244	4.4
145.06480	12.7
145.10132	18.6
147.08067	17.2
147.11685	3.8
149.05980	3.3
149.09669	16.0
153.06934	3.2
154.07739	4.0
155.08580	11.1
156.09328	12.3
157.06516	5.1
157.10150	36.5
158.10748	3.4
159.08067	19.9
159.11700	21.7
160.08742	3.5
161.05992	10.6
161.09642	14.2
163.07555	26.2
163.11157	4.9
165.09105	4.5
167.07080	5.7
167.08548	5.9
169.10135	24.1
170.10962	7.4
171.08064	12.0
171.11707	48.7
173.06064	4.4
173.09619	16.1
173.13264	11.5
175.07555	21.5
175.11134	5.6
177.09087	13.6
179.08519	6.5
180.09279	3.7
181.08691	4.1
181.10155	7.8
183.08064	5.7
183.11729	46.7
184.08765	3.4
185.09625	10.6
185.13223	18.7
186.10332	3.0
187.07567	7.8
187.11223	16.9
189.05533	10.2
189.09087	5.6
191.06987	4.0
191.10727	5.4
192.09438	3.5
193.10127	13.5
193.12050	3.2
194.10947	6.9
195.08101	4.1
195.11693	11.7
197.09624	10.8
197.13240	6.3
198.10231	4.1
199.07538	4.5
199.11205	17.3
201.09058	8.5
201.12814	9.6
205.10117	5.8
205.12129	3.6
206.10892	11.0
207.11690	12.1
208.12294	4.4
209.09660	6.4
209.13284	7.9
211.11148	11.9
211.14732	3.7
213.09102	7.5
213.12738	20.3
215.10730	9.8
217.10114	8.2
217.12189	6.7
218.10876	3.8
219.11795	7.7
220.12460	6.3
221.13342	14.5
222.13898	3.7
223.11194	7.5
223.14922	4.0
227.10791	3.3
229.12227	13.8
229.14388	5.5
230.10936	6.2
231.11775	7.9
231.13852	10.8
232.12450	5.7
233.09660	4.5
233.13287	9.0
233.15457	7.6
234.13828	3.3
235.11176	5.2
235.14861	13.1
237.12723	5.9
237.16573	3.3
239.10747	8.9
243.11716	6.6
243.13873	8.0
245.13258	9.0
245.15509	7.6
246.14088	5.7
247.11247	4.5
247.15123	4.5
249.12683	6.9
251.14316	5.2
253.12259	5.4
256.12350	3.7
257.13327	7.4
259.15073	5.6
261.12598	5.2
261.14941	3.4
263.14441	5.5
265.12289	5.0
265.15875	4.2
267.13889	4.9
270.14066	7.1
273.15109	4.0
275.14050	5.4
277.12231	6.5
279.13922	10.0
281.15488	4.4
283.13562	3.9
284.15619	3.8
286.17102	3.4
287.14203	4.3
291.13583	3.6
293.11398	3.5
293.15247	3.1
295.13449	3.7
295.16901	4.5
301.14465	21.7
303.13797	4.0
305.15277	4.5
309.66599	3.6
313.16074	3.2
315.13858	5.5
317.15390	5.6
321.14810	6.8
329.15131	4.1
330.16107	3.3
331.16910	27.6
333.14871	5.4
333.18478	8.1
335.16418	6.7
335.20120	4.4
339.15512	6.1
345.18454	28.4
347.16367	7.3
347.20126	7.4
349.14160	4.2
349.17993	12.9
355.17145	4.8
359.16519	7.5
361.17773	4.5
363.19650	14.8
365.17422	6.2
367.19003	5.2
373.17975	37.8
375.19373	11.1
377.17368	7.8
381.16852	6.0
391.19037	24.8
395.18488	5.1
399.18195	4.4
401.17682	10.6
405.20581	25.5
409.20145	6.6
411.21716	9.8
415.19348	4.2
419.18610	15.4
423.21756	17.1
433.19977	7.1
437.19510	22.7
439.20981	3.2
441.22607	8.5
451.20914	16.0
455.20313	8.6
469.22281	22.3
487.22763	11.2
497.21588	5.9
515.22638	4.3
529.23706	15.2
547.22980	5.8
547.29041	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	547.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01863	10.9
55.05498	9.7
57.07094	2.8
58.97046	2.3
67.05508	19.0
69.03423	4.6
69.07069	6.3
73.02894	2.7
79.05501	21.1
81.03423	17.3
81.07056	10.1
83.04986	18.7
85.06538	3.9
91.05489	27.5
93.07045	18.8
95.04996	21.0
95.08625	17.5
97.06557	3.2
98.20705	5.6
103.05483	7.6
105.07041	34.3
107.04981	7.9
107.08592	16.7
109.06533	7.1
109.10196	3.4
111.08104	3.0
115.05435	8.9
117.07046	15.5
119.08588	35.5
121.06521	9.2
121.10132	9.9
123.04420	5.5
123.08062	5.7
128.06221	4.5
129.06982	8.8
131.04955	15.7
131.08566	20.1
133.06500	12.8
133.10159	26.0
135.08041	15.1
135.11743	3.9
141.06996	3.7
142.07793	9.9
143.08580	17.7
144.09259	4.6
145.06473	18.9
145.10146	24.3
147.08075	22.0
147.11745	5.7
149.09634	10.8
151.07574	5.1
153.07008	4.1
154.07816	3.7
155.08548	9.3
156.09351	8.2
157.06456	3.8
157.10153	39.8
159.08089	19.3
159.11722	23.7
161.06018	15.3
161.09634	18.4
163.07593	17.7
163.11195	4.5
165.07002	3.4
167.08632	2.7
168.09293	6.7
169.06549	3.6
169.10126	15.0
170.10889	9.5
171.08076	9.7
171.11700	41.9
172.08882	3.7
173.06021	6.5
173.09628	16.6
173.13272	9.9
175.07513	11.3
175.11206	9.3
177.09180	9.5
179.08531	6.2
181.10147	10.1
183.08122	6.4
183.11697	58.4
184.12546	2.9
185.09688	14.2
185.13274	22.7
187.11198	11.8
189.05394	3.9
189.09111	7.2
191.06987	4.4
191.08670	3.9
191.10562	5.2
193.10161	13.6
193.12030	2.9
194.10941	3.4
195.08034	2.9
195.11710	12.5
196.08783	4.4
197.09634	9.8
197.13298	7.9
199.11153	12.0
201.09196	5.8
201.12651	16.7
203.10767	3.9
205.12242	6.5
206.10867	5.6
207.11722	14.9
208.12393	4.3
209.09708	3.7
209.13263	9.4
211.11203	9.8
213.09097	8.2
213.12694	22.1
215.08743	3.6
215.10716	8.1
216.09143	3.6
217.10315	5.3
217.12221	7.4
219.07979	2.7
219.11646	8.2
221.09683	3.5
221.13318	13.2
222.14069	3.6
223.11201	6.2
223.14783	7.4
225.12674	6.1
227.10732	3.6
229.12198	9.6
230.10959	3.8
231.09996	4.1
231.11937	3.6
231.13831	5.2
232.12550	4.1
233.13283	11.6
234.10277	3.4
235.11185	4.7
235.14886	5.4
237.12744	9.1
237.16451	3.7
239.10713	5.4
241.12320	6.6
243.11734	4.3
243.13873	6.5
246.13986	4.1
247.11148	5.2
247.14880	9.5
248.11943	2.9
249.08997	3.1
249.12808	5.5
249.16507	3.4
251.10683	6.0
251.14360	5.2
253.12314	3.7
255.11697	4.4
257.13339	3.8
259.11093	4.5
259.13315	3.9
261.12543	5.7
261.16760	4.0
263.14362	4.8
265.12299	5.1
265.15643	3.9
268.16309	3.8
273.14798	5.1
274.13367	3.5
277.15936	3.4
279.13937	5.0
281.15430	2.8
283.15405	4.1
285.16443	6.8
287.14322	6.7
289.15732	3.7
291.16232	4.3
295.13345	3.1
298.13446	3.9
301.14813	3.1
303.17374	6.7
305.15393	4.9
307.16891	6.6
309.18088	3.5
313.15927	6.4
319.16922	4.0
321.18616	4.1
327.17355	4.1
331.16849	14.4
333.14700	4.2
339.19675	4.5
345.18475	7.3
347.16312	4.5
349.17819	8.6
359.16196	3.3
363.19617	5.7
365.17386	4.1
373.17892	10.2
377.17307	4.5
381.20486	4.5
387.19379	9.8
389.17453	3.5
391.18982	12.1
397.20218	3.5
401.17297	7.4
405.20557	7.8
407.18222	3.9
409.20142	6.1
411.25626	3.7
419.18668	8.3
423.21674	8.4
425.23709	3.6
433.19968	8.4
437.19644	6.9
447.21976	3.5
451.21426	11.9
455.20810	5.9
469.22256	25.9
476.27481	3.5
487.23224	8.8
497.21921	7.3
529.24292	100.0
547.25751	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	547.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01863	5.6
55.05500	9.4
67.05493	12.8
69.03427	3.9
69.79391	18.1
79.05496	13.9
81.03397	11.0
81.07048	13.3
83.01328	3.3
83.04977	10.1
91.05479	26.2
92.80058	3.3
93.07040	13.9
95.04971	23.3
95.08605	10.0
103.05483	5.5
105.03445	3.5
105.07023	26.8
107.04935	9.9
107.08616	14.5
109.06512	9.7
111.08076	3.5
115.05450	6.8
117.07013	15.0
119.04932	5.3
119.08582	30.8
121.06509	8.2
121.10131	6.0
123.04422	6.4
123.08121	3.8
128.06294	4.3
129.06985	8.8
131.04897	5.8
131.08574	15.5
133.06485	10.1
133.10136	17.5
135.08069	13.1
137.06059	2.9
141.06999	3.3
142.07805	9.5
143.08536	17.0
144.09389	4.4
145.06474	14.5
145.10109	17.3
147.08043	20.3
147.11707	6.9
149.05956	2.7
149.09648	8.9
153.06934	4.2
155.08556	6.6
156.09343	11.0
157.10132	34.4
159.08093	14.7
159.11693	22.7
161.05956	9.4
161.09654	17.1
163.07550	20.4
163.11220	4.8
165.06999	4.8
166.07806	3.8
167.08549	4.3
168.09293	4.1
169.10080	20.1
170.10843	6.7
171.08031	6.9
171.11674	35.9
173.05969	9.3
173.09677	15.1
173.13261	8.2
175.07533	11.6
175.11166	9.9
177.09088	9.9
179.08623	4.5
181.10170	8.0
182.10918	4.1
183.08015	4.4
183.11687	51.5
185.09601	9.2
185.13226	14.0
187.07558	6.3
187.11171	10.2
189.05519	3.3
189.09097	11.0
191.10590	6.6
193.10109	9.3
194.10887	4.6
195.08067	4.0
195.11716	9.2
196.08932	3.6
197.09584	9.9
197.13203	7.3
199.11174	9.2
200.12102	3.2
201.09120	5.1
201.12842	16.5
205.10152	4.2
206.10953	4.7
207.11644	11.7
208.12411	6.7
209.09543	4.5
209.13245	10.2
211.11191	13.4
213.09108	6.3
213.12779	6.5
215.10631	4.8
217.10306	6.6
217.12292	8.2
218.10951	4.1
219.11757	7.8
220.12547	4.7
221.13268	7.7
223.11139	5.8
223.14891	3.5
224.11861	3.2
225.12758	4.0
227.10732	5.9
229.10242	4.8
229.12267	11.4
231.11836	6.1
231.13818	4.0
233.13280	5.5
233.15332	6.5
234.14223	3.5
235.11122	6.2
235.14926	4.0
237.12738	10.4
237.16339	5.4
239.10678	4.8
239.14217	3.4
243.13904	6.1
244.12433	4.1
245.08011	5.6
245.15364	5.0
247.11067	6.1
247.14847	10.9
249.12764	6.5
249.16339	5.1
251.14415	4.3
253.12108	4.3
263.14618	3.1
265.12024	4.4
265.15970	4.3
273.12585	6.8
274.13583	3.4
279.13870	4.5
281.15451	3.8
284.15533	3.9
285.12726	3.6
287.14133	3.5
291.13809	3.7
298.13196	4.2
301.15756	4.3
303.13831	3.3
303.17291	4.8
313.15775	4.3
315.13730	4.0
317.15524	3.6
319.16888	3.4
321.18658	6.6
331.16830	14.4
333.14758	3.8
345.18372	13.0
347.16376	4.4
349.17963	8.4
355.16473	3.5
361.18002	3.4
363.19516	4.5
373.17853	9.5
391.18985	12.1
395.18643	4.6
401.17249	3.9
405.20367	5.9
419.18378	8.8
423.21738	11.2
425.23450	6.4
433.20105	7.9
437.19443	7.1
451.21213	13.1
451.43417	3.0
455.20319	4.6
469.22449	18.6
487.23471	7.9
497.21472	4.9
529.24329	100.0
547.25732	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	547.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42415	6.1
53.03943	13.9
55.01872	12.8
55.05518	45.3
58.19452	4.4
59.03104	4.6
67.05493	22.2
69.03432	10.3
69.07059	13.9
71.04998	6.8
79.05488	25.4
79.95388	4.1
81.03413	16.6
81.07055	28.4
83.04983	64.5
91.05479	54.4
93.07035	35.3
95.04969	38.9
95.08620	33.9
97.06543	11.0
98.20763	16.9
103.05474	11.9
105.07042	48.5
107.04945	12.0
107.08599	27.1
109.06528	16.6
109.10102	9.1
115.05464	10.6
117.07024	27.8
119.04971	6.7
119.08589	76.6
121.06520	14.8
121.10140	17.9
123.04369	6.5
123.08073	13.3
128.06224	10.7
129.07027	27.7
130.07784	8.0
131.04921	15.5
131.08572	44.7
133.06487	19.8
133.10164	27.6
135.08063	24.5
137.06003	5.4
137.09720	5.0
141.06982	8.3
142.07782	15.7
143.08545	23.9
144.09306	7.0
145.06480	16.7
145.10168	29.0
145.77992	5.2
147.08043	28.6
147.11662	8.6
149.05983	7.0
149.09610	18.7
153.06950	6.2
154.07758	9.0
155.08537	17.8
156.09351	20.9
157.10130	74.0
159.08093	30.2
159.11688	43.8
161.05998	13.7
161.09666	30.1
163.07582	28.0
163.11197	6.5
165.07014	8.3
167.08601	12.2
168.09291	9.6
169.10136	44.3
170.10925	17.8
171.08090	10.7
171.11690	87.6
173.09639	28.9
173.13280	16.1
175.07535	21.4
175.11218	15.7
177.09081	30.1
179.08548	14.8
180.09296	7.0
181.10132	18.5
183.08113	9.4
183.11699	94.7
184.08870	5.5
185.09689	17.5
185.13274	34.7
187.11172	20.5
189.05481	9.4
189.09164	10.7
191.07086	5.8
192.09383	7.4
193.08513	5.1
193.10080	24.0
194.10959	5.6
195.07993	7.2
195.11734	31.2
197.09619	15.8
197.13257	19.4
199.11212	36.8
200.11967	5.7
200.77560	4.8
201.09190	8.9
201.12744	20.0
206.10892	7.9
207.11755	26.0
209.09673	12.2
209.13312	18.0
211.11203	29.1
213.09122	10.3
213.12733	27.2
214.60451	5.5
215.08664	6.5
215.10718	16.4
217.10271	11.5
217.12285	15.0
218.10986	11.6
219.11707	16.7
220.12459	8.4
221.13297	27.2
222.10519	6.2
222.13986	8.1
223.11108	15.4
223.14784	11.7
225.12834	13.5
227.10674	8.0
229.12256	15.7
230.10855	7.6
231.11699	17.0
231.13835	15.0
232.12505	12.3
233.09703	9.7
233.13258	11.3
233.15335	8.9
235.11162	13.0
235.14870	13.9
237.12758	11.0
237.16412	13.4
239.10764	10.4
241.12291	11.6
243.11662	11.4
243.13763	10.5
244.12538	7.6
245.13329	9.6
245.15445	13.1
247.11191	6.9
247.14832	22.9
249.12746	16.3
249.16423	20.2
251.14432	9.5
253.12250	8.8
253.16162	6.9
256.12372	6.5
257.13388	9.4
258.14111	8.4
259.11090	7.5
259.14832	16.5
260.15454	6.0
261.12680	6.9
261.16614	5.9
262.13617	5.5
263.14505	11.5
263.17618	6.7
264.15179	11.5
265.12259	13.3
265.15829	17.5
267.13815	9.3
270.14160	6.9
273.12674	10.5
273.16580	6.0
275.14423	9.7
275.17825	6.8
277.12430	6.1
277.15909	12.7
279.14096	5.6
279.17456	13.4
281.19016	5.7
284.15735	8.0
285.16278	8.4
287.14362	8.3
289.12198	6.4
289.15842	11.6
291.17123	7.8
295.16904	5.7
299.14294	8.9
301.16022	5.8
303.17398	8.2
305.15387	7.0
307.16708	6.7
309.18503	9.7
313.15756	8.2
315.17377	5.6
319.16782	5.9
321.18457	15.3
323.20325	7.1
327.17487	10.5
329.14963	6.6
331.16891	29.6
333.14850	11.7
333.18619	14.4
335.16449	7.3
337.18085	8.2
339.19495	14.6
343.16916	7.3
345.18573	27.6
347.16168	6.3
349.17917	22.0
359.16266	8.3
361.18048	14.5
363.19458	20.4
365.17349	6.0
367.18875	7.7
369.18408	5.8
373.17911	22.4
377.17413	7.6
381.20789	9.2
387.19437	45.2
389.21640	5.3
391.19022	19.7
393.21057	7.7
395.18155	7.5
401.17422	10.3
405.20609	30.3
407.18008	6.7
407.22650	6.5
409.19977	6.5
411.21719	47.3
419.18555	16.1
423.21613	24.1
425.23734	6.1
433.20132	12.7
437.19415	21.1
441.22745	9.9
447.21667	11.8
451.20993	22.7
455.20383	12.3
469.22061	39.8
471.23550	6.6
487.23608	14.5
529.24316	100.0
547.26019	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.1
54.24541	3.2
55.01861	11.6
55.05512	36.7
65.03955	6.0
67.05499	18.3
69.03430	11.6
69.07052	6.0
79.05491	31.5
81.03419	24.0
81.07053	21.2
83.04977	53.5
83.08588	3.5
85.02885	4.3
91.05482	42.3
93.07054	23.7
95.04981	29.1
95.08582	14.8
97.06515	6.6
103.05485	21.7
105.03374	7.2
105.07029	45.5
107.04949	10.4
107.08595	23.0
109.06512	16.5
109.10130	6.3
111.04469	3.5
111.08088	3.9
115.05450	9.9
117.07016	20.9
119.04927	5.8
119.08570	42.9
120.08983	3.8
121.06487	9.5
121.10147	10.4
123.04401	5.4
123.08086	6.6
128.06181	8.7
129.07013	16.2
130.07774	5.5
131.04944	40.5
131.08565	24.0
133.06479	11.1
133.10120	32.4
135.08038	16.3
137.05998	4.7
141.06972	7.3
142.07790	12.6
143.08548	29.9
145.06505	19.2
145.10139	26.1
147.04411	4.4
147.08095	25.2
147.11661	8.3
149.06003	4.3
149.09691	17.8
151.07614	3.6
153.07056	4.6
155.06116	4.0
155.08572	12.9
156.09302	14.6
157.06610	4.2
157.10130	44.7
159.08034	22.8
159.11702	31.6
161.06007	21.2
161.09633	25.3
163.07535	17.4
165.06985	4.1
165.09114	5.1
167.08562	9.7
168.09238	8.4
169.10118	21.3
170.10957	12.0
171.08073	10.1
171.11691	56.9
172.08893	4.3
173.06073	8.7
173.09625	17.8
173.13249	14.4
175.07533	14.9
175.11160	11.2
177.09132	14.3
179.08551	11.0
181.10063	10.8
183.08008	5.5
183.11676	58.2
184.08894	3.8
185.09633	11.7
185.13263	33.3
187.11169	14.4
189.05504	8.6
189.09126	10.7
191.07085	4.1
191.08762	4.3
191.10614	5.7
193.10220	12.6
193.12207	4.0
194.10898	8.0
195.08124	5.4
195.10077	4.6
195.11737	16.2
197.09607	17.3
197.13260	14.5
199.11142	22.4
201.09064	10.2
201.12801	19.2
203.08617	5.8
203.10602	5.4
205.10262	4.3
205.12163	4.6
206.10905	5.6
207.11708	16.1
209.09630	9.4
209.13168	8.5
211.07423	6.0
211.11319	16.5
213.09088	5.9
213.12721	21.4
215.10783	7.5
217.10298	5.1
217.12283	8.9
218.10866	4.6
219.11729	13.4
220.12346	5.2
221.09601	6.2
221.13240	15.6
223.11342	7.8
223.14827	6.9
225.09174	4.3
225.12715	16.2
227.10680	5.9
229.10283	5.5
229.12212	17.6
230.10901	7.2
231.03036	3.9
231.11847	7.7
231.13811	7.7
233.09650	8.9
233.13408	6.4
233.15431	8.1
234.10406	5.7
235.11240	5.9
235.14870	9.4
237.12758	11.9
237.16467	5.4
239.10617	5.9
239.14284	4.7
243.11632	5.4
243.13789	13.9
244.12428	6.0
245.13431	6.2
245.15462	8.1
246.14084	5.2
247.08983	4.3
247.11205	5.5
247.14848	10.4
249.12766	8.2
251.14351	8.8
253.12199	6.6
255.13913	7.5
259.11063	6.2
259.14996	6.4
260.12088	4.0
261.12616	7.3
261.14929	6.5
263.14276	7.8
265.15988	5.2
269.13297	6.6
270.13962	6.2
274.13306	8.3
275.20187	4.7
277.12238	4.4
277.15918	7.5
279.13870	5.0
283.10782	6.0
285.12778	4.6
285.16107	4.6
287.14175	4.0
288.15219	6.9
297.12595	3.9
303.13727	5.6
303.17191	5.8
305.15359	7.8
313.15997	7.7
317.15451	6.9
317.18848	3.8
321.18442	11.4
325.17957	4.4
327.17279	8.7
329.15436	5.5
331.16849	16.0
333.14777	5.4
333.18436	6.3
339.19525	5.5
345.18579	19.2
349.17883	12.7
355.16696	5.0
359.16321	6.2
361.17972	9.8
363.19653	7.3
373.17993	16.3
377.17432	4.8
387.19540	26.9
391.19031	11.1
401.17264	8.9
405.20547	7.9
409.20047	8.0
419.18585	6.3
423.21606	10.9
425.22876	7.6
433.20078	8.0
437.19556	8.5
447.21585	6.4
451.20914	11.1
455.20639	5.0
469.22394	22.2
487.23407	8.0
497.22241	4.4
515.22577	5.1
529.24359	100.0
547.26691	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	547.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.7
53.26474	4.6
55.01875	8.4
55.05508	26.1
63.34625	3.9
65.03948	5.4
67.05502	14.2
69.03432	9.1
69.07070	5.0
71.72812	4.3
73.06531	4.1
79.05499	31.4
81.03423	22.3
81.07063	19.6
81.35130	4.4
83.01323	5.8
83.04993	36.9
83.08630	7.0
91.05482	36.8
92.00433	3.9
93.07058	35.6
95.04974	26.5
95.08612	22.1
97.06525	9.8
100.20543	3.9
103.05445	8.0
105.03398	14.2
105.07036	55.5
107.04954	13.3
107.08585	26.4
109.02950	4.6
109.06540	18.5
109.10136	7.4
111.04460	10.1
115.05473	9.1
117.07014	24.5
119.04941	4.6
119.08598	57.1
121.06519	18.6
121.10183	10.8
123.04411	8.8
123.08087	18.5
128.06226	12.9
129.07016	21.8
131.04910	9.5
131.08604	25.8
133.06517	20.3
133.10135	33.6
135.08057	23.1
135.11716	4.6
137.05949	5.8
141.07007	6.5
142.07773	16.0
143.08575	33.9
145.06496	27.6
145.10120	26.3
147.08028	29.9
147.11649	8.3
149.09628	21.2
151.07549	5.8
153.06952	6.7
154.07639	5.5
155.08585	12.1
156.09337	19.8
157.10136	60.7
159.08090	27.2
159.11720	37.8
161.05954	17.9
161.09651	52.2
163.07550	19.7
163.11270	5.9
165.05534	8.7
165.06967	8.2
165.09143	5.2
167.08566	9.7
168.09357	12.9
169.06509	5.4
169.10118	35.2
170.10942	21.6
171.08052	21.1
171.11710	76.8
173.06033	8.9
173.09636	30.2
173.13249	14.3
175.07613	15.8
175.11197	10.2
177.09135	8.5
178.07780	7.5
179.07031	6.1
179.08510	9.3
180.09274	5.0
181.10077	11.9
183.10092	9.0
183.11682	98.1
183.13217	7.1
184.12180	11.1
185.09642	17.3
185.13330	37.4
187.07547	7.7
187.11197	22.1
189.05463	8.1
189.09071	8.9
189.12798	4.7
191.10654	7.3
192.09312	8.3
193.10164	14.3
195.08096	5.2
195.11725	27.0
197.09607	16.6
197.13310	14.3
198.10423	5.8
199.11273	22.9
201.09120	4.5
201.12796	20.7
203.08728	4.9
203.10730	7.6
205.10211	7.2
206.10786	10.3
207.11761	14.2
208.12485	6.1
209.09698	10.6
209.13268	10.9
211.11249	25.7
211.14854	5.2
213.09116	5.5
213.12749	29.9
215.10709	7.4
215.14481	5.3
217.10216	10.0
217.12123	11.1
218.10936	4.8
219.11743	13.6
220.12486	5.9
221.09644	5.2
221.13269	19.6
223.11182	12.0
223.14836	9.3
225.12726	11.5
227.10576	6.4
228.85202	5.4
229.10291	7.5
229.12279	18.8
231.11824	8.7
231.13866	10.9
232.12463	9.6
233.13319	12.3
233.15450	6.0
235.11217	6.7
235.14920	9.3
237.12822	8.3
237.16391	11.7
239.10767	8.4
243.11690	8.1
243.13805	15.9
245.13397	10.9
245.15436	11.3
246.14011	9.1
247.14838	14.9
248.11963	4.3
248.15512	5.2
249.12770	15.3
249.16496	10.4
251.14345	10.9
253.12384	7.8
258.14114	5.9
259.11304	10.0
261.12656	10.3
263.14493	9.8
263.18182	4.7
265.15823	8.7
269.13065	5.3
270.13950	7.2
273.12646	8.4
274.13516	6.3
275.14563	9.9
275.17599	7.3
279.13843	7.4
279.17377	9.5
289.15820	7.0
291.13660	5.6
299.14236	7.8
301.15598	6.5
303.17307	6.5
305.15414	7.9
307.17053	9.6
313.15897	12.8
317.15399	16.8
321.18457	9.5
329.15353	6.1
331.16919	24.2
333.14813	6.1
333.18616	5.8
335.16364	10.0
335.20001	5.6
345.18481	11.1
347.16406	6.4
349.17960	13.5
351.19870	5.5
357.14618	6.1
359.20337	9.4
361.17883	7.8
363.19583	14.2
367.19244	7.6
371.20221	9.3
373.17825	7.7
381.20758	7.0
387.19562	6.3
389.21069	19.2
391.19131	16.1
401.17670	6.7
405.20724	9.6
409.20065	15.1
411.21835	6.2
419.18494	8.7
423.21799	5.7
433.20422	6.5
437.19443	12.6
438.55484	5.3
451.21100	17.4
469.23285	20.4
487.23331	9.2
529.24451	100.0
547.26855	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	17.4
55.01865	21.7
55.05513	40.9
57.03415	12.0
62.99749	8.0
63.00066	7.6
67.05495	33.3
69.03418	27.5
71.55431	11.7
74.26727	7.5
79.05521	49.7
81.03419	29.7
81.07062	41.6
83.04987	72.3
85.02907	22.0
91.05484	82.0
93.07051	40.6
95.01293	8.0
95.04955	53.0
95.08598	26.2
97.02895	10.4
97.06516	27.1
103.05462	30.5
103.72948	10.0
105.03361	16.5
105.07050	90.4
107.04933	28.4
107.08599	28.0
109.02838	18.0
109.06536	31.6
111.04421	11.4
113.02347	9.3
115.05469	25.1
117.07011	31.3
119.04941	12.7
119.08569	62.7
121.06544	49.4
121.10134	12.1
123.04456	7.8
123.08051	12.1
123.11711	8.6
125.05977	10.6
128.06219	29.8
129.07022	39.5
131.04924	25.6
131.08563	54.8
133.06499	45.9
133.10129	22.0
135.04463	11.6
135.08041	37.1
137.05919	12.0
141.07025	25.1
142.07764	33.9
143.08588	60.1
145.06488	42.8
145.10141	40.8
147.04427	10.7
147.08081	45.2
147.11690	10.5
149.05965	41.0
153.05441	11.6
154.07729	14.8
155.08542	37.8
156.09357	18.9
157.06459	20.2
157.10100	62.5
159.08070	56.4
159.11719	23.3
161.05980	58.5
161.09639	39.3
163.07526	30.7
165.05621	9.9
165.06976	24.0
167.08588	12.1
169.06473	9.6
169.10147	55.4
170.07266	10.9
170.10939	13.2
171.08099	46.7
171.11674	61.2
172.08824	9.5
173.05975	19.1
173.09613	44.5
173.13298	14.8
175.07542	27.6
175.11238	11.4
177.05490	21.8
177.09088	12.8
179.07031	12.3
179.08511	27.2
181.10120	30.2
183.08049	25.3
183.11758	65.3
184.08760	14.8
185.05966	20.5
185.09633	47.6
185.13271	22.0
187.07530	45.5
187.11165	33.5
189.09114	15.9
191.07025	16.4
192.09256	11.0
193.08623	12.4
193.10121	29.6
194.10944	16.4
195.08054	19.6
195.11664	26.2
196.08788	15.6
197.09695	42.5
197.11209	8.5
197.13293	17.1
199.07533	22.2
199.11272	37.8
201.09077	27.9
201.12730	19.2
203.06987	13.0
205.10194	13.3
206.10995	16.9
207.11714	24.8
208.12431	13.3
209.09607	31.6
209.13237	16.9
210.10318	9.9
211.07588	13.2
211.11191	43.8
213.05467	11.5
213.09084	31.1
213.12772	31.9
215.06836	10.8
215.10602	17.2
216.31537	8.2
217.08482	18.5
217.10291	19.1
217.12039	10.0
218.10754	15.6
219.11714	25.8
221.09709	14.3
221.13312	19.4
223.11230	22.0
223.14787	12.4
225.09087	18.8
225.12714	13.0
227.10670	33.9
229.08400	18.8
229.12212	19.6
231.10065	16.4
231.13756	11.5
232.12372	16.6
233.09578	16.6
233.13287	19.9
235.11124	22.6
235.14880	10.3
236.11903	11.2
237.08958	16.4
237.12691	23.2
237.16434	17.2
239.10580	17.0
241.12193	11.3
242.10867	9.1
243.10112	15.7
243.13939	11.8
245.07870	44.6
245.13220	22.8
246.10416	13.5
247.11160	19.1
247.14822	11.1
248.12000	16.2
248.15344	9.0
249.12840	22.7
251.10625	16.7
251.14307	21.1
253.12398	19.0
256.12637	12.1
257.08054	30.9
259.11157	17.2
260.12021	10.7
261.12772	18.1
261.16440	12.1
263.10538	15.0
263.14365	16.6
265.12350	12.0
265.15906	15.8
273.11096	14.7
275.14331	11.8
277.12271	10.2
277.16077	13.0
279.13800	16.6
279.17279	11.4
281.11581	14.2
284.11945	10.0
285.16293	9.6
287.14288	24.2
289.15860	12.7
291.13538	13.9
293.15161	10.4
295.13370	11.1
298.13712	9.5
301.11993	8.8
301.15750	13.0
303.13879	19.6
303.17270	12.3
305.15317	14.1
307.13538	10.6
307.16846	9.2
315.13852	15.9
317.10114	100.0
317.15393	18.3
319.12280	10.2
321.14828	13.8
323.16507	14.0
325.11514	9.2
327.17264	9.3
333.14743	16.0
335.16299	19.7
345.14719	14.1
347.12592	12.5
347.16513	16.4
351.15848	20.0
363.15842	14.2
373.13974	14.8
377.17630	20.3
387.19489	23.9
391.15057	10.0
395.18430	9.5
397.16293	14.3
405.16931	27.3
411.21771	9.0
419.14395	10.2
421.16113	10.1
423.18109	26.8
425.15680	21.8
433.16428	15.6
439.17450	10.8
441.18863	21.8
443.16754	34.9
451.17117	67.1
469.18387	68.6
479.16785	22.8
487.19669	32.8
497.17917	28.4
515.18915	31.9
529.20728	23.5
547.20459	17.4
547.26526	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	546.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
54.36496	1.0
55.01867	1.7
55.05506	4.3
64.92424	1.2
65.53217	1.0
67.05512	8.9
68.05801	1.4
68.12756	1.3
69.03439	1.5
69.07062	4.1
69.47090	9.5
71.05000	1.7
79.05502	11.2
81.03426	2.7
81.07061	46.4
83.04984	2.0
83.08626	1.4
85.06568	2.7
91.05497	9.6
93.07057	7.8
93.33887	1.6
95.04961	2.3
95.08601	9.8
97.10153	1.6
99.08095	1.3
105.07042	7.9
107.08599	10.6
109.06520	21.7
109.10115	6.7
111.08125	1.4
115.34538	1.2
117.07047	2.1
118.63005	1.3
119.08575	10.0
121.06469	2.6
121.10187	6.0
123.08092	2.2
123.11707	5.1
129.07025	2.5
131.08569	6.2
133.10150	7.7
135.08049	4.4
135.11717	3.9
137.09644	2.4
141.06984	1.5
143.08565	3.5
145.10078	9.6
147.08107	1.3
147.11685	5.0
149.09639	2.6
149.13237	1.4
151.11217	2.1
157.10141	6.2
159.11685	7.7
161.09657	3.1
161.13274	2.9
163.11174	2.4
165.12740	1.3
166.45743	1.5
169.10101	2.2
171.11693	6.3
173.13260	4.1
177.12738	1.4
183.11713	2.4
185.13185	3.6
187.14856	3.9
189.12761	3.7
189.16521	1.6
191.14255	2.7
197.13277	2.1
199.14851	4.2
201.12831	2.3
201.16484	1.6
203.14360	3.0
205.15936	1.2
211.15002	1.9
213.12782	1.4
213.16338	2.4
215.14450	2.0
217.15897	2.1
227.18079	1.9
245.18977	2.6
268.16321	1.5
271.20602	2.7
289.21594	5.4
309.22131	2.7
311.23792	2.5
327.23288	2.3
329.24677	2.8
351.26770	4.4
353.24512	2.1
361.25287	2.2
369.27853	4.0
379.26221	8.6
397.27380	100.0
418.32013	1.3
451.31958	2.5
454.33652	2.0
469.32944	3.6
472.35504	1.2
497.41083	1.8
528.38080	9.2
535.76929	1.3
546.38715	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	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.01874	3.7
55.05516	21.8
57.03428	4.8
57.07072	1.3
58.06596	3.0
65.03933	2.7
67.05505	41.4
69.03422	2.8
69.07076	9.6
69.47071	8.8
70.77401	1.0
70.87685	1.1
71.04998	2.2
77.03953	1.1
79.05499	27.8
81.03423	20.8
81.07059	38.4
83.04979	6.4
83.08624	14.0
85.06532	1.6
89.64809	1.0
91.05486	23.3
93.07048	26.4
95.04972	13.9
95.08051	2.1
95.08609	26.1
95.09167	1.9
97.06533	3.7
97.10164	13.6
105.07040	19.5
107.04971	3.9
107.08603	16.2
109.06517	3.5
109.10163	20.3
110.09717	1.2
111.08088	2.1
115.05451	1.8
117.03335	1.3
117.07042	8.9
119.08584	18.2
120.86298	1.1
121.06519	5.0
121.10146	13.8
123.08064	3.2
123.11715	4.2
125.09640	12.2
128.06229	1.3
129.07022	5.3
131.08571	16.7
133.10141	11.6
135.08060	3.9
135.11702	8.6
137.09641	1.5
141.07010	1.9
143.08575	5.5
145.02896	2.6
145.06529	2.2
145.10138	11.6
147.08046	2.6
147.11696	9.3
149.09621	3.4
149.13300	4.2
155.08669	1.5
157.10133	5.5
159.08110	1.5
159.11702	11.4
161.09654	2.2
161.13260	4.5
163.11137	2.2
163.14856	1.5
165.12839	1.4
169.10156	1.9
171.10246	1.5
171.11732	3.2
173.09700	1.2
173.13284	8.2
175.11211	3.2
175.14832	3.6
177.05473	6.4
177.12784	2.4
179.23656	1.2
181.10069	2.1
183.11699	3.3
185.13252	3.2
187.11221	1.7
187.14856	5.1
189.11249	7.0
193.10733	1.6
193.12218	7.5
197.13283	1.6
197.98776	1.1
199.14899	1.9
201.16414	1.1
209.13190	1.5
211.13103	1.5
227.12743	9.0
233.15422	1.5
240.61964	1.2
243.21057	2.7
247.17114	1.7
261.22168	9.8
267.15921	20.0
273.18503	1.4
279.23407	2.1
285.22238	2.3
287.20190	1.3
299.23941	2.1
301.21829	1.9
301.25168	10.1
317.24823	1.9
323.22256	1.1
329.25015	1.5
335.25809	13.7
417.26193	1.3
417.31274	1.9
421.26007	3.3
435.27246	2.0
435.32651	5.1
453.33569	9.6
471.34796	6.9
509.36246	2.4
527.37390	45.3
545.38531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
55.01866	4.8
55.05516	23.2
57.03453	7.5
57.07055	3.0
65.03930	2.2
67.05509	49.8
69.03433	4.7
69.07072	14.0
71.04980	4.4
71.88066	1.1
74.36479	1.2
79.05497	40.7
81.03426	28.3
81.07061	49.5
83.05001	6.5
83.08620	17.3
85.02936	6.0
85.06544	3.0
91.05487	31.0
93.07051	35.0
95.04977	17.4
95.08615	34.7
97.06536	3.1
97.10178	15.1
105.06392	1.8
105.07043	23.5
106.60514	1.1
107.04951	6.2
107.08606	24.5
109.06523	5.1
109.10152	19.2
111.08086	4.8
113.06030	1.2
115.05473	1.5
117.07025	10.8
119.08590	23.3
121.06506	5.2
121.10138	18.8
123.08057	3.7
123.11690	5.8
125.09648	11.1
128.06218	1.4
129.07021	10.6
131.08565	17.6
133.06528	1.4
133.10133	16.3
135.08049	4.5
135.11707	9.9
137.09641	2.9
141.07002	1.7
143.08575	5.5
145.06491	1.6
145.10121	14.1
147.08037	3.4
147.11679	11.1
149.09618	3.7
149.13254	4.7
153.09125	2.6
155.08588	3.2
157.10132	8.6
159.08092	1.7
159.11719	10.1
161.09712	1.7
161.13277	4.9
163.11191	1.7
164.95467	1.1
169.10123	3.0
171.10318	1.7
171.11703	4.2
173.09671	1.9
173.11949	1.5
173.13298	7.4
175.11232	5.1
175.14815	3.6
177.12732	1.2
183.11743	2.6
184.80316	1.0
185.13283	3.1
187.13307	1.4
187.14874	3.5
189.11241	4.4
189.16400	1.6
193.12265	17.7
197.13304	2.0
199.14848	3.1
201.12817	2.0
201.16385	1.7
203.18019	1.3
211.13255	13.1
215.18102	1.2
221.15302	1.3
225.16547	1.2
227.12813	7.0
233.15274	1.4
243.21069	2.3
247.16902	1.3
261.22223	10.4
267.15918	16.3
273.18356	1.6
285.22131	2.3
299.23672	2.0
301.25241	10.0
303.23264	2.7
317.24814	1.9
323.23596	1.2
335.25879	13.9
345.24417	1.2
359.25781	2.4
421.25574	2.7
435.27542	2.2
435.32602	5.7
453.33707	9.9
471.34711	7.0
527.37390	44.3
545.38422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56695	1.2
53.03937	3.2
55.01870	4.3
55.05265	1.9
55.05516	27.5
57.03442	6.7
57.07065	2.1
59.04996	1.4
65.03936	3.3
67.05511	56.1
69.03436	2.5
69.07078	12.8
69.98064	6.5
71.04993	2.2
79.05499	35.4
81.03422	28.6
81.07063	54.7
83.04984	5.4
83.08618	16.0
85.06541	3.1
91.05489	26.6
93.07053	32.3
95.04974	12.3
95.07973	1.6
95.08610	32.7
97.06542	4.3
97.10179	15.9
97.66109	1.3
105.07037	29.3
105.11677	1.2
107.04969	5.8
107.08603	24.8
108.18877	1.3
109.06519	4.8
109.10171	18.9
111.08073	3.9
115.05462	2.1
117.07047	11.5
119.08588	23.1
121.06526	5.0
121.10156	12.6
123.08082	5.3
123.11702	8.6
125.09647	13.0
129.07053	8.9
129.69101	1.4
131.08582	23.3
133.06493	1.8
133.10149	16.5
135.08081	5.4
135.11691	12.0
137.09615	2.9
141.06995	2.4
142.07756	2.1
143.08592	8.3
145.10152	15.6
147.08076	3.8
147.11705	13.5
149.09642	3.9
149.13287	3.7
151.11174	1.2
152.36592	1.5
155.08514	2.5
157.10150	7.5
159.11705	12.6
161.09607	2.6
161.13234	6.7
163.11172	3.8
163.14838	2.3
169.10132	2.7
171.10324	2.7
171.11722	6.4
173.11990	1.8
173.13225	6.7
173.14645	1.7
175.11252	4.0
175.14890	5.3
183.11790	3.5
185.09619	1.8
185.13287	4.8
187.14845	4.0
189.11296	7.7
193.12213	10.2
197.13278	1.7
199.14896	3.4
205.15901	1.6
227.12724	13.2
233.15482	1.7
243.21188	2.4
247.17036	1.4
249.14781	1.8
261.22211	10.1
267.15936	24.6
267.18619	2.6
273.22647	1.4
283.24109	2.0
285.22092	3.1
287.20245	2.2
299.23737	2.2
301.21860	2.3
301.25259	18.0
303.23285	1.7
317.24979	2.5
329.21146	1.5
335.25803	21.7
359.25870	2.7
403.24866	2.0
417.31540	2.0
418.79980	1.5
421.26028	3.9
435.27399	2.7
435.32697	6.8
453.33548	13.6
471.34729	10.7
472.75244	1.3
527.37360	57.6
545.25122	4.2
545.38385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
55.01864	3.3
55.05261	1.7
55.05514	25.3
57.03446	6.5
57.07059	1.7
59.04990	1.8
65.03948	1.6
67.05507	49.7
69.03416	3.5
69.07065	11.8
70.20609	4.5
71.04980	3.1
79.05058	1.9
79.05496	28.0
81.03419	22.7
81.06580	2.2
81.07061	43.8
83.04975	4.7
83.08623	14.4
85.02906	1.7
85.06541	3.4
88.57870	1.1
91.05483	27.1
93.07050	30.8
95.04973	17.3
95.08609	27.8
97.06528	2.4
97.10180	15.7
99.04477	1.0
99.08121	1.1
103.05499	1.1
105.04547	1.0
105.07032	23.5
107.04953	5.4
107.08604	19.4
109.06517	3.8
109.10158	19.5
111.08062	3.2
115.05400	1.1
117.07030	9.7
119.04958	1.3
119.08591	20.3
121.06516	5.9
121.10146	13.8
123.08077	4.2
123.11684	7.6
125.09646	11.5
129.07018	8.6
131.08571	17.3
133.06479	2.0
133.10138	15.4
135.08044	4.3
135.11697	9.9
137.09659	2.9
137.13242	1.5
139.11179	1.1
141.06981	2.3
142.07780	1.4
143.08574	7.5
145.06485	1.6
145.10120	12.0
147.08051	2.2
147.11690	10.6
149.09624	3.3
149.13255	5.5
155.08553	2.4
157.10162	6.2
159.11703	11.0
161.09593	1.9
161.13249	6.1
163.11200	2.9
163.14812	3.5
167.08632	1.2
169.10153	2.6
171.10323	1.8
171.11649	5.4
173.09698	1.9
173.13258	6.6
175.11234	5.3
175.14772	2.5
177.12694	1.9
181.10075	1.3
183.11674	3.5
185.13289	4.6
187.14854	4.1
189.11256	8.4
189.16367	1.4
191.14384	2.0
193.12265	8.8
197.13251	2.1
199.14761	1.8
201.12762	1.3
201.16403	2.4
205.35051	1.2
211.13211	2.0
211.14967	2.1
213.16475	1.7
215.17960	1.4
227.12778	9.2
233.15324	1.6
243.15965	1.2
243.21091	2.1
245.13718	1.1
247.17122	2.4
261.22104	10.4
267.15912	20.5
279.23230	1.5
283.24258	1.5
285.22064	3.0
287.20221	2.3
299.20273	1.3
301.25269	16.5
303.23199	1.6
317.24869	1.7
335.25800	19.0
359.25867	1.6
403.25174	2.4
417.26498	1.5
417.31589	1.3
421.26056	2.3
435.27188	2.4
435.32581	4.4
453.33774	11.1
471.34811	9.8
481.45798	1.1
509.36456	3.0
527.37354	50.8
545.38385	100.0
546.39124	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.5
53.80968	1.1
55.01884	3.2
55.05515	20.6
57.03431	7.6
57.07081	1.8
65.03943	2.2
67.05509	48.3
69.03436	2.7
69.07073	14.9
70.38038	1.3
71.05000	3.8
79.05498	49.7
81.02979	2.6
81.03429	31.9
81.07063	53.0
83.04990	10.2
83.08633	18.0
85.02907	15.2
85.06568	3.2
91.05489	38.1
91.06017	2.7
93.07051	45.5
95.04984	19.1
95.08616	29.1
97.06551	5.2
97.10165	7.1
98.21510	3.2
99.08095	1.8
105.03395	1.7
105.07040	28.9
107.04961	4.7
107.08598	20.9
109.06558	6.2
109.10175	15.0
111.08077	9.0
113.06033	1.5
115.05452	2.2
117.07018	7.9
119.08583	23.9
121.06489	1.9
121.10141	17.6
123.08093	2.1
123.11745	5.6
125.09647	5.6
129.07045	8.7
131.08582	18.9
133.06512	3.2
133.10136	14.4
135.08090	4.3
135.11705	9.7
137.09657	2.3
143.08621	3.1
145.10158	9.4
147.08029	3.7
147.11700	15.0
149.09651	7.4
149.13272	5.0
151.11215	1.5
155.08545	2.9
157.10149	8.2
159.11737	7.2
161.13283	4.5
163.11307	1.7
169.10258	2.0
171.11731	4.4
173.13309	6.4
175.11214	8.0
175.14948	1.7
183.11653	2.1
185.13177	1.8
187.14850	2.9
189.11234	2.7
193.12259	22.8
193.13878	2.3
199.14915	2.3
211.13266	28.4
227.12831	2.6
249.14989	2.2
261.22284	5.2
267.15891	9.0
301.25354	4.0
335.25922	6.2
338.29004	1.5
378.25082	2.1
395.26282	1.8
396.26196	16.5
435.32843	4.2
453.33939	4.4
471.34821	2.6
509.36050	2.0
527.37415	28.7
545.38452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
54.56342	2.0
55.01872	3.8
55.05518	22.2
67.05492	8.0
69.03423	4.5
69.07072	3.3
69.47756	3.8
69.48164	11.4
79.05478	6.7
80.04985	2.7
81.03410	6.4
81.07063	6.6
82.42586	2.0
83.04985	100.0
85.02908	3.8
85.48506	2.2
89.37268	2.3
91.05479	11.2
91.48190	1.8
93.07047	10.2
95.04970	14.4
95.08602	10.7
97.02889	3.7
105.03382	3.7
105.07039	14.9
107.04969	3.6
107.08591	6.0
107.28178	2.2
109.06516	6.2
109.10169	2.2
115.05437	4.6
117.07037	6.0
119.08572	19.1
121.06501	6.1
121.10139	5.7
123.05553	45.3
123.08051	5.8
124.03951	22.1
128.06223	2.7
129.07021	6.6
131.04953	3.0
131.08566	18.9
133.06459	10.9
133.10141	19.6
135.08037	9.3
135.11714	2.8
137.05975	2.0
137.09644	2.2
141.06987	4.7
142.07790	8.2
143.08617	11.5
144.09254	2.6
145.06441	9.8
145.10109	13.7
147.08014	9.7
147.11679	7.0
149.05951	3.3
149.09619	4.4
151.07567	4.1
155.08533	6.6
156.09367	6.4
157.10167	16.9
159.08055	28.8
159.11647	10.9
160.08876	2.9
161.05977	16.6
161.09627	6.6
161.13269	3.6
163.07526	6.6
167.08440	3.9
168.09413	2.7
169.10141	11.1
170.10905	8.4
171.08026	5.5
171.11720	16.6
172.08881	3.1
173.09639	16.8
173.13248	16.2
174.10367	5.1
175.07515	2.9
175.11177	28.3
179.07155	4.0
181.10071	2.7
183.07977	3.6
183.11687	13.8
185.09636	10.5
185.13306	11.8
186.10390	5.7
187.07579	4.2
187.09488	4.6
187.11189	82.8
187.14848	2.6
188.11882	2.4
189.09102	3.1
189.12746	54.2
193.10167	3.5
195.11664	6.3
197.09648	3.7
198.10381	8.3
199.11186	3.8
200.05219	2.2
201.09084	3.5
201.12752	34.2
203.10651	7.3
203.14340	3.4
206.10838	2.9
207.11705	5.6
209.13278	3.8
211.11163	6.0
213.12753	22.6
215.10620	5.1
217.12312	3.2
219.13788	10.7
221.13362	3.7
223.11205	3.8
223.14758	2.9
229.12267	11.8
230.56081	2.4
231.13797	60.6
237.16376	3.3
247.13228	18.9
249.14830	24.8
255.11684	2.8
258.23419	2.5
259.13327	3.2
263.17902	2.1
265.15948	3.1
291.17484	2.0
295.16699	2.5
299.23718	2.9
307.16907	2.4
313.18057	3.8
317.24591	2.7
321.18240	2.5
329.17712	2.8
337.17896	2.3
347.16275	3.1
349.20334	12.4
361.17661	3.0
363.19391	4.6
373.18033	2.9
379.18906	3.2
391.18945	7.3
405.20859	2.3
409.20053	17.6
423.21786	2.5
427.21158	19.1
445.22058	3.6
457.22992	2.5
467.20520	2.5
509.24875	6.2
527.26300	6.1
545.25647	4.6
545.33765	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	545.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	22.3
55.01878	8.7
55.05511	53.9
57.03447	14.4
67.05519	41.1
69.07063	12.0
71.04983	7.8
79.05485	38.4
81.03422	39.9
81.07053	36.6
83.04987	80.5
83.05409	9.5
85.02901	10.5
91.05484	57.8
92.61998	7.4
93.07057	54.1
95.04962	65.7
95.08638	21.9
97.06549	13.0
98.45573	7.0
103.05539	10.3
105.03429	31.0
105.07047	79.2
107.05029	14.6
107.08609	45.7
109.06549	32.1
109.10191	12.5
111.08094	11.4
115.05512	16.4
117.07076	17.8
119.08580	100.0
121.06561	14.7
121.10202	26.3
123.08105	15.1
125.83883	6.9
128.06325	10.9
129.07053	21.1
130.07796	7.6
131.04996	8.7
131.08578	52.4
133.06512	29.1
133.10149	45.5
135.08128	25.2
137.06009	8.0
141.07082	11.9
142.07805	21.5
143.08572	42.4
145.06529	22.1
145.10132	70.0
147.08041	46.9
147.11674	13.8
149.09624	47.0
155.08623	29.1
156.09373	18.5
157.10136	48.3
159.08136	25.5
159.11719	24.0
161.09662	23.1
163.07562	15.7
163.11206	13.4
165.07056	12.2
167.08615	11.8
169.10167	50.2
170.11000	21.8
171.08076	13.6
171.11693	48.2
173.09698	25.6
173.13266	11.8
175.11160	14.8
177.09163	45.3
179.08766	9.1
181.10158	20.8
183.11754	59.7
185.09703	33.0
185.13300	33.6
187.11232	13.2
193.10201	21.7
194.11018	17.4
195.11810	25.8
196.08847	11.3
196.12599	10.0
197.09677	12.9
197.13344	14.9
199.11208	29.0
200.11887	9.3
201.09261	10.9
201.12733	18.8
205.10297	20.1
206.10944	21.0
207.11780	37.1
208.12637	8.8
209.09792	9.7
209.13293	36.8
211.11356	15.5
211.14896	12.8
213.12697	44.8
217.10223	12.8
219.11736	24.2
220.12595	12.3
221.13356	34.0
223.14917	26.8
225.12804	17.6
227.14528	9.5
229.12280	26.8
231.11736	18.9
231.13875	20.0
232.12415	12.6
233.09630	11.4
233.13333	17.6
235.14890	27.5
237.12779	10.5
237.16360	52.9
239.14514	9.2
241.12199	10.3
243.11549	12.3
243.13893	9.8
244.12541	14.4
245.13382	9.2
247.14897	32.0
249.16580	18.1
250.13348	8.6
250.78214	8.6
251.14595	15.9
257.15570	11.3
259.15106	13.8
261.16452	26.4
263.14444	12.7
265.15918	25.6
267.13684	11.6
275.18021	17.3
277.15939	23.6
279.17377	17.5
281.15591	10.2
289.12613	8.1
289.15942	24.6
289.19852	8.5
291.13638	10.8
295.17050	11.4
305.15622	11.5
307.17032	18.3
317.15555	9.3
319.16891	12.6
323.16443	8.8
333.18539	9.3
333.22073	11.7
343.20596	51.3
345.18439	13.8
361.17789	12.3
361.21683	81.8
371.20163	29.5
379.22836	38.1
385.18137	13.6
389.21252	56.2
405.20432	12.0
407.22223	49.1
449.23245	32.4
467.24139	24.5
485.24405	13.3
488.35294	8.4
545.24420	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01875	13.5
55.05506	5.9
57.03448	1.9
57.07079	1.8
67.05520	7.8
69.03429	3.3
69.07063	3.2
71.04993	1.5
71.55582	1.7
77.03899	1.2
79.05502	13.9
81.03410	10.2
81.07076	7.4
83.04980	7.4
85.06550	1.5
91.05486	26.0
93.03428	1.6
93.07048	15.4
95.01324	3.2
95.04975	13.0
95.08611	7.8
96.39892	1.4
97.06548	21.0
103.05450	4.8
105.03401	2.4
105.04543	1.6
105.07039	26.5
107.04971	7.2
107.08611	14.3
109.06512	7.5
109.10148	3.4
111.08070	2.1
115.05474	5.6
116.06230	2.7
117.07030	18.5
119.04947	3.7
119.08591	33.4
121.06509	10.5
121.10123	6.5
123.04443	3.1
123.08061	4.8
128.06239	7.1
129.07030	17.4
130.07779	2.0
131.05017	1.9
131.08592	14.8
132.05708	1.9
133.06532	6.3
133.10141	21.9
135.08040	14.7
135.11667	1.4
137.06001	2.1
137.09558	1.3
141.07010	3.7
142.07829	7.3
143.08575	15.5
145.06470	7.8
145.10141	16.4
147.08055	100.0
147.11678	4.1
149.02428	1.4
149.09636	7.7
151.07547	2.4
153.06956	2.4
153.95488	1.4
154.07777	2.3
155.08528	7.5
156.09361	9.6
157.10147	21.8
158.07327	2.2
158.10880	1.8
159.08063	14.5
159.11705	12.8
161.05957	3.5
161.09624	19.0
161.13272	2.2
163.07545	43.1
163.11206	2.1
165.06963	3.1
165.09070	2.1
166.07826	1.7
167.08604	5.9
168.09334	4.2
169.06607	1.9
169.10117	10.9
170.10854	6.9
171.08080	6.9
171.11702	25.8
172.08728	2.4
173.06029	2.9
173.09648	14.1
173.13333	8.6
175.07574	5.8
175.11172	5.3
177.09096	3.3
179.08563	4.1
180.09296	2.4
181.10156	8.8
182.07204	1.6
182.10886	4.7
183.08061	4.6
183.11713	21.1
184.08911	1.9
185.09621	9.0
185.13287	14.4
186.10400	2.3
187.11172	8.0
187.14830	3.7
189.09106	7.6
189.12720	2.8
191.08659	1.5
191.10687	2.8
192.09322	2.6
193.10138	4.1
194.10905	4.1
195.11729	11.5
197.09660	5.2
197.13274	10.1
198.10451	4.1
199.11223	10.9
199.14854	4.2
200.11893	2.1
201.09103	1.4
201.12755	10.9
203.10709	2.6
205.10321	1.9
205.12227	1.6
206.10933	3.0
207.10118	4.0
207.11829	8.7
208.12361	3.7
209.09613	2.9
209.13286	10.4
211.11189	11.5
211.14850	2.4
212.11707	2.2
213.09323	1.9
213.12746	23.3
215.10663	1.8
215.14293	12.4
217.12048	2.0
218.10855	2.8
219.07938	1.4
219.11795	2.4
219.13788	1.7
219.66185	1.3
220.12457	4.9
221.09766	1.7
221.13359	6.3
222.14014	1.9
223.11143	3.9
223.14796	6.1
224.11932	1.5
225.12747	6.2
225.16408	1.9
227.10666	3.6
227.14369	7.1
229.12318	6.3
230.10910	2.0
231.11838	2.0
231.13783	7.9
233.13248	3.7
233.15424	2.8
235.11082	2.2
235.14851	3.3
237.12650	3.6
237.16373	2.6
239.10657	1.6
239.14316	1.8
241.12276	5.0
243.11755	2.3
243.13866	8.7
244.12396	1.8
245.09489	1.9
245.13309	2.7
245.15408	3.2
246.13910	1.6
247.15045	1.8
249.12692	2.2
249.16521	3.8
251.14256	4.1
251.17865	2.4
256.01163	1.3
257.13287	2.6
258.10541	1.4
258.13837	1.7
259.13220	2.5
261.16684	1.6
263.14456	1.9
263.17911	2.8
265.12311	1.6
265.15759	4.3
267.17419	3.3
271.14288	1.3
273.12524	2.1
275.14307	3.5
275.17865	1.8
277.12216	2.0
295.17062	1.9
299.14240	2.5
303.17233	2.8
313.18314	1.8
315.17517	2.8
317.15320	1.9
317.18958	2.2
321.18515	1.6
329.19098	2.3
331.16861	2.4
333.18298	2.2
341.18985	3.7
343.20563	3.0
345.18555	1.6
347.16147	2.6
347.19940	2.4
359.19968	6.7
361.21640	6.2
371.20068	9.4
373.20007	2.2
377.21332	6.2
379.22720	5.1
389.16797	2.6
389.21210	27.3
395.22171	1.7
397.57043	1.8
407.22296	38.7
425.23105	5.5
449.23053	4.9
467.24472	22.1
485.25269	2.9
527.26276	10.4
528.26453	1.9
545.27795	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.2
55.01864	7.2
55.05507	27.5
57.03427	5.3
57.07067	6.1
60.75297	3.6
63.69823	3.8
65.03921	5.3
65.61011	3.8
67.05497	19.3
69.03414	10.1
69.07063	25.6
76.27027	3.7
79.05475	18.3
80.53814	3.6
81.03402	10.0
81.07066	29.3
82.13153	3.5
83.04990	38.0
83.08593	9.0
85.02884	6.0
85.06532	17.3
91.05476	28.5
93.07059	27.6
95.04976	23.9
95.08598	18.6
97.06522	7.0
98.21562	6.4
103.05456	6.3
105.03386	30.1
105.07037	43.6
107.04955	6.2
107.08584	23.4
107.36991	4.0
109.06503	13.8
109.10136	12.5
111.08101	4.8
117.07016	16.5
119.08571	49.4
121.06531	11.6
121.10120	14.9
123.08051	18.4
123.82057	4.6
128.06207	6.8
129.07001	14.1
131.04913	16.6
131.08566	32.1
133.06442	11.8
133.10104	23.1
135.08052	14.7
135.11696	5.4
142.07751	14.0
143.08553	34.2
144.09262	5.4
145.06499	7.3
145.10155	30.5
147.08037	29.3
147.11662	6.5
148.03479	4.5
148.08371	4.7
149.09605	12.8
151.07611	6.9
153.06979	5.5
155.08537	15.2
156.09311	11.8
157.06534	4.2
157.10103	45.5
158.07249	5.1
159.07990	20.7
159.11699	29.2
161.05997	10.1
161.09595	14.8
163.07539	9.4
167.08525	5.2
168.09334	7.6
169.10141	40.6
170.10869	17.2
171.08057	10.6
171.11708	35.5
173.09616	18.1
173.13266	13.6
175.07607	11.8
175.11159	5.6
177.09109	8.1
179.07031	4.2
179.08524	10.3
180.09258	6.1
181.10097	13.1
183.08044	6.3
183.11707	100.0
185.09547	10.0
185.13203	26.4
187.07590	9.4
187.11211	14.7
189.09085	5.0
191.10660	8.5
192.09293	7.1
193.10080	18.1
195.08075	5.7
195.11696	22.1
196.09033	4.8
196.12305	4.6
197.09573	12.0
197.13234	15.9
198.10234	4.1
199.11163	16.9
199.14748	11.2
201.09201	5.4
201.12729	15.8
203.08629	5.9
203.10596	7.7
206.10864	9.8
207.11705	16.9
208.12468	7.5
209.09720	6.1
209.13269	24.6
210.10266	4.8
211.11151	18.6
211.14827	11.5
213.09113	4.7
213.12735	16.7
217.10226	7.1
217.12164	8.8
219.11720	10.1
220.12480	6.6
221.13287	19.9
222.10396	5.7
222.14116	7.5
223.11142	7.4
223.14793	14.1
225.12698	7.2
229.12238	10.5
230.10811	5.9
231.11688	9.9
231.13812	7.5
232.12389	13.2
233.09660	5.7
233.13245	12.5
235.11116	7.2
235.14795	11.2
237.12703	7.5
237.16386	46.6
239.10603	5.3
239.14316	6.1
241.12274	6.7
243.11586	5.3
243.13780	9.7
244.12390	5.0
245.13367	7.9
246.14024	8.4
247.11145	6.0
247.14767	14.8
249.12605	8.5
249.16513	7.0
251.14337	9.5
251.17889	5.8
259.11124	12.4
263.14142	8.3
265.15845	29.6
267.13721	14.6
267.48883	4.7
269.13287	7.0
274.13565	4.0
279.17459	20.9
283.17017	9.5
287.14337	8.2
289.15936	7.3
293.15421	10.8
295.16937	5.1
301.15317	4.6
305.15353	6.0
307.16953	28.9
308.38028	4.2
309.18430	4.2
317.15366	6.4
319.16760	5.5
325.18173	19.8
329.15280	7.0
335.16205	5.4
337.17990	5.6
339.19424	6.3
343.16916	8.1
347.16324	11.0
353.17435	7.9
353.21210	6.0
355.22528	11.0
357.14920	5.5
361.17844	15.8
367.18851	9.7
373.19977	7.4
379.18842	7.2
381.24326	8.7
385.19769	12.0
389.17328	12.9
390.00974	4.5
393.16418	4.5
395.25717	7.2
405.20618	5.7
407.17957	7.8
407.22540	6.3
417.16611	6.5
421.20108	7.6
425.23044	12.6
435.18036	7.6
439.21280	6.1
441.26254	25.8
449.19360	7.9
467.20834	9.9
485.22101	4.7
545.25726	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	545.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53916	3.2
53.03949	7.7
55.01869	6.3
55.05504	9.4
56.77862	3.0
57.03441	3.8
67.05504	24.8
69.03424	10.9
69.07078	4.0
79.05499	30.6
79.59356	3.7
81.03432	20.6
81.07050	18.5
83.04984	13.0
85.02914	15.1
88.61951	3.2
91.05492	44.7
93.07040	33.7
95.04974	69.9
95.08600	21.0
97.06550	9.4
98.21487	9.5
103.05464	7.1
105.03401	5.2
105.07041	64.7
107.04955	13.1
107.08598	49.2
109.06517	25.6
109.10157	5.7
111.04499	4.3
111.08067	4.6
115.05396	6.1
116.06209	5.3
117.07021	16.2
118.16487	3.4
119.04945	4.5
119.08585	74.8
121.06512	14.2
121.10152	20.1
123.08077	8.5
125.05984	6.1
128.06190	8.1
129.06995	19.4
130.07787	4.5
131.08572	72.6
133.06494	28.0
133.10132	21.3
135.08055	24.3
137.05946	4.1
137.09628	4.6
139.07610	4.2
141.06981	7.6
142.07791	10.2
143.08560	38.9
145.06505	14.6
145.10118	75.2
146.10814	4.2
147.08041	31.9
147.11700	11.1
149.09627	58.2
151.07542	7.4
151.11238	4.2
153.07101	4.3
154.07715	4.1
155.07463	3.9
155.08499	16.8
156.09380	12.2
157.10152	46.3
159.08095	18.8
159.11635	23.8
161.09592	11.8
165.06976	6.5
167.08592	11.5
168.09377	6.0
169.10141	32.1
170.10947	7.2
171.08058	10.4
171.11670	25.3
172.08835	5.0
173.09541	16.1
173.13293	10.9
175.07603	4.3
177.09111	72.5
178.07848	6.4
179.08566	13.7
180.09325	9.2
181.10124	18.0
182.10864	5.5
183.08148	4.7
183.11685	30.8
185.09636	16.1
185.13232	28.4
187.11145	13.2
193.10130	23.2
194.10802	6.6
195.10088	5.5
195.11734	26.4
196.12491	5.5
197.09698	6.0
197.13274	18.2
198.10455	3.8
199.11209	10.5
201.12819	13.6
203.10634	5.3
203.14104	3.8
204.09457	5.5
205.10219	8.5
206.10963	16.5
207.11746	28.6
208.12479	11.2
209.09662	6.4
209.13280	33.0
211.11220	14.5
211.14874	14.0
213.12779	30.3
215.14145	5.0
217.10191	9.3
218.10910	7.5
219.11751	13.0
219.95940	3.5
220.12451	7.8
221.13289	35.9
222.10313	3.8
222.14082	7.5
223.11304	7.0
223.14871	21.3
224.11952	3.9
225.12752	10.2
225.16400	4.4
227.14349	6.1
229.10143	7.9
229.12277	18.7
230.10913	5.3
231.11661	10.3
231.13838	27.0
232.12506	12.2
233.13269	21.0
234.14026	3.9
235.11224	7.1
235.14821	31.6
237.12782	8.6
237.16393	36.9
239.14288	12.9
241.12231	11.0
241.16084	4.9
243.11761	11.6
243.13988	3.9
244.12459	8.5
245.13423	20.2
246.14037	11.0
247.11229	5.5
247.14848	22.3
249.12662	4.7
249.16377	9.7
251.14479	6.9
251.17793	4.7
253.12422	4.8
253.15923	8.0
255.13779	5.3
256.12387	6.6
257.15439	7.1
258.14108	11.9
259.13324	17.6
259.15240	4.8
260.12131	4.2
260.15533	8.5
261.12839	3.3
261.16425	14.1
262.17120	5.1
263.14307	8.4
263.18222	4.4
265.15933	13.4
269.12991	4.5
269.15607	8.4
271.14771	5.5
273.12808	4.0
273.16400	6.1
274.13586	4.5
275.14877	6.2
275.17874	24.9
277.15912	10.2
277.19415	11.0
278.20096	3.6
279.17282	5.0
281.15417	6.0
283.11356	3.7
283.14536	4.3
285.16452	6.3
287.16739	3.9
289.15854	5.9
293.18890	4.2
295.17096	7.7
299.17859	4.8
300.18842	5.5
301.15805	5.8
303.17410	10.2
305.15479	7.2
305.19006	8.3
305.22385	4.9
307.16953	11.8
315.17377	9.2
315.21072	13.5
317.15332	4.6
317.19055	5.2
319.17010	5.3
321.18561	6.6
323.16287	11.0
324.17206	6.5
325.18582	4.0
327.17709	8.1
328.18448	4.3
329.18942	4.1
331.16928	5.4
333.18491	5.9
333.22073	10.4
335.20206	6.2
343.20590	56.9
345.18475	10.7
347.20163	7.3
351.23120	7.1
359.20023	6.4
361.17334	7.1
361.21625	95.4
363.19617	16.4
371.20093	38.1
377.21155	8.1
379.22723	53.4
389.21170	100.0
407.22180	80.7
425.22943	17.6
431.22055	5.1
449.23193	43.0
467.24405	39.3
474.76767	3.5
485.25269	5.7
527.26074	9.3
566.00378	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	545.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	6.0
55.05494	8.3
60.83277	3.4
65.03934	4.1
65.29440	3.0
67.05502	16.7
69.03425	13.9
69.07050	3.8
69.23167	35.2
69.46950	3.4
79.05478	24.3
81.03415	20.5
81.07048	16.1
83.04961	9.3
85.02899	11.7
91.05473	32.9
93.07048	26.3
95.04970	49.7
95.08588	12.9
97.06531	6.2
105.07030	55.0
106.58411	3.0
107.04940	10.1
107.08601	34.4
109.06496	17.6
109.10130	4.2
111.08056	3.7
115.05457	5.8
116.06254	5.5
117.06994	11.8
119.08575	67.0
121.06465	18.2
121.10130	19.9
123.08045	10.4
125.05955	5.2
126.22050	3.6
128.06262	6.1
129.06975	12.7
130.07771	6.0
131.08563	55.6
133.06487	21.7
133.10110	14.7
135.08023	19.9
137.09584	4.3
141.06894	4.1
142.07761	9.1
143.08574	29.5
145.06525	8.8
145.10120	65.1
147.08023	26.4
147.11696	12.3
149.05914	4.0
149.09616	44.9
151.07552	7.8
155.08511	11.8
156.09355	7.1
157.10123	34.8
159.08066	16.2
159.11638	17.5
161.09627	7.3
165.07007	5.5
167.08574	11.2
168.09381	5.8
169.10129	26.9
170.10829	5.6
171.08031	7.2
171.11711	22.3
173.09599	10.4
173.13263	7.0
175.11169	9.4
177.09100	58.1
179.08536	10.0
179.10614	3.7
181.10095	13.7
182.10838	3.9
183.11688	24.3
184.12436	4.3
185.09650	16.2
185.13275	21.3
187.11145	14.5
192.09238	5.5
193.10231	20.4
194.10905	8.4
195.11652	19.4
197.09608	4.7
197.13269	12.5
198.10463	3.5
199.11150	9.7
201.12721	16.0
204.09406	4.3
205.10173	9.5
206.10887	14.2
207.11717	21.8
208.12483	9.3
209.13240	27.4
211.11139	9.2
211.14883	12.5
213.12747	25.4
215.10741	5.3
217.10052	7.0
218.10822	8.3
219.11737	14.7
220.12427	12.8
221.13231	31.7
223.11214	7.6
223.14778	14.0
225.12764	5.5
229.10172	8.1
229.12241	25.2
230.10803	4.6
231.11620	11.1
231.13802	22.0
232.12398	9.9
233.13174	16.0
234.14012	5.4
235.11192	4.9
235.14816	22.7
236.11671	3.8
237.12698	9.7
237.16325	28.7
239.14235	12.0
241.12263	6.4
241.15884	6.1
243.11620	8.0
244.12454	8.2
245.13417	20.6
246.14015	6.9
247.11208	4.9
247.14848	18.1
249.12740	7.5
249.16408	9.5
251.14307	6.8
253.15794	8.6
256.12378	6.8
257.13232	6.3
258.14020	8.5
259.13303	13.9
260.15585	7.1
261.16275	15.8
262.17212	6.9
263.14493	8.2
265.15820	11.9
269.12805	4.6
269.15292	9.1
270.13873	4.2
271.14694	6.5
273.16299	5.6
274.13617	5.2
275.14291	9.8
275.17923	17.1
277.15884	7.9
277.19391	7.3
281.15549	5.3
283.16937	5.2
285.16312	4.6
287.14081	5.3
289.15762	9.4
289.19647	5.0
295.17081	5.6
299.14310	5.9
299.17682	6.2
301.15884	5.8
303.17398	8.6
305.15039	4.2
305.18582	3.8
307.16855	5.7
315.17517	7.1
315.21063	9.9
317.18860	6.1
319.17023	4.7
321.18213	6.2
323.16495	6.5
325.19257	4.5
327.17529	4.4
333.18481	6.3
333.22107	15.5
335.19955	7.0
343.20587	63.9
345.18515	16.2
347.20145	6.9
351.23138	6.2
361.17343	7.2
361.21619	100.0
363.19437	15.3
371.20035	29.7
377.21179	7.6
379.22723	50.4
389.21085	90.3
407.22226	72.1
425.23029	15.0
431.22412	5.9
449.23163	51.2
467.24261	37.1
485.25089	5.2
492.11221	3.5
527.26306	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	545.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.0
58.65182	0.5
61.02916	0.6
66.47736	0.6
69.03429	5.1
70.06619	0.6
71.01351	0.6
71.04984	1.4
71.34135	1.2
72.08134	0.6
81.03424	0.8
85.02892	2.1
86.09743	1.3
87.04443	0.6
97.02901	0.6
98.97577	0.6
99.04449	1.8
116.05021	0.9
137.05928	0.6
143.06050	2.0
145.07613	32.8
157.07594	1.1
161.07135	3.1
163.03868	0.8
163.08693	1.1
171.05504	10.1
171.06750	1.1
188.09500	0.9
189.06589	60.6
200.09401	0.7
207.07666	3.1
214.06116	24.5
223.57425	0.6
261.12338	1.3
279.13501	0.6
287.10144	1.0
305.11325	44.5
323.12344	2.8
348.11905	100.0
366.12863	6.6
485.17383	1.2
528.18256	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.0
58.65182	0.5
61.02916	0.6
66.47736	0.6
69.03429	5.1
70.06619	0.6
71.01351	0.6
71.04984	1.4
71.34135	1.2
72.08134	0.6
81.03424	0.8
85.02892	2.1
86.09743	1.3
87.04443	0.6
97.02901	0.6
98.97577	0.6
99.04449	1.8
116.05021	0.9
137.05928	0.6
143.06050	2.0
145.07613	32.8
157.07594	1.1
161.07135	3.1
163.03868	0.8
163.08693	1.1
171.05504	10.1
171.06750	1.1
188.09500	0.9
189.06589	60.6
200.09401	0.7
207.07666	3.1
214.06116	24.5
223.57425	0.6
261.12338	1.3
279.13501	0.6
287.10144	1.0
305.11325	44.5
323.12344	2.8
348.11905	100.0
366.12863	6.6
485.17383	1.2
528.18256	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.6
54.36269	1.6
55.05518	13.9
57.03439	2.1
57.07079	3.6
59.04994	1.6
65.03946	3.2
67.05515	28.1
68.05837	2.1
69.03439	32.9
69.07080	13.6
71.04998	2.2
72.48834	1.6
79.05510	23.4
80.05811	3.7
81.03423	5.1
81.07069	30.6
82.10622	1.4
83.04967	5.9
83.08651	9.7
88.07652	6.2
91.05482	15.5
93.07056	34.6
94.07397	4.9
95.04404	1.4
95.04985	29.0
95.08620	35.5
96.08956	3.7
97.06537	7.1
97.10172	5.9
99.08111	2.9
105.07045	24.6
107.04953	5.4
107.08607	28.0
108.08938	3.0
109.06503	4.9
109.10168	22.8
111.08096	5.0
117.07010	7.3
119.08596	26.6
120.08942	1.5
121.06522	5.0
121.10162	23.8
122.10480	2.2
123.08053	8.0
123.11735	15.4
125.09621	2.7
128.06284	2.4
129.07002	2.4
131.08588	12.9
133.10147	20.7
135.08086	4.1
135.11710	17.4
136.12013	4.0
137.09645	3.2
139.11192	3.3
141.09111	5.1
143.08569	7.4
144.09399	2.0
145.10152	22.8
146.10507	3.3
147.11719	12.9
149.09637	4.8
149.13275	6.1
151.11169	2.7
153.12782	2.3
155.08531	2.9
157.10168	12.2
159.11700	16.4
161.09695	4.7
161.13281	23.6
163.11208	15.4
163.14847	2.1
163.97450	1.6
164.11554	4.7
165.12741	3.0
169.10133	5.0
171.11728	11.4
173.09715	2.0
173.13223	10.0
175.11185	2.8
175.14832	7.3
177.12753	4.6
181.10146	2.1
181.12215	2.9
183.11693	5.8
185.13260	8.9
187.11180	2.1
187.14851	14.0
189.12724	4.1
189.16411	6.7
193.12267	4.1
195.11725	2.7
197.13261	5.8
199.14827	7.6
201.12808	2.4
201.16373	4.6
203.14368	5.5
209.13306	5.2
211.14838	6.5
213.16457	4.4
215.14369	1.9
215.17981	2.8
223.14807	1.8
225.16437	8.6
227.12761	19.6
227.17938	11.4
228.13167	10.9
229.15903	2.9
231.17461	3.0
235.14674	2.2
237.16501	2.7
239.14296	2.1
239.18060	3.2
241.19447	2.2
243.17473	3.1
245.19081	11.8
251.17918	2.8
257.19070	3.6
259.20621	7.5
265.19641	2.7
267.21027	2.4
269.18958	2.8
271.20639	3.0
281.19150	1.9
283.20587	4.6
285.17892	1.8
285.22076	3.4
295.20636	6.0
295.24213	9.4
297.22308	2.7
307.20547	2.4
309.22266	2.8
311.23703	12.0
313.25281	57.6
321.25607	2.4
335.23721	2.7
337.25232	9.0
339.26840	6.0
351.27234	3.1
363.26743	15.3
381.27893	100.0
383.29440	4.0
405.32004	1.8
412.32019	6.6
417.31448	5.5
425.33978	3.6
435.32596	10.9
453.33734	21.1
484.38135	8.1
544.37140	23.3
545.38428	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	544.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32808	2.1
53.03942	10.9
55.01865	8.0
55.05517	32.7
57.03432	7.9
57.07077	5.7
59.05000	2.6
60.24788	2.3
65.03937	5.3
67.05512	100.0
68.05853	3.1
69.03433	39.7
69.07078	30.0
69.63981	2.6
70.43151	2.3
71.04997	8.7
73.02921	5.1
79.05064	4.2
79.05502	75.6
81.02983	4.5
81.03428	72.9
81.07064	97.4
83.04978	10.9
83.08609	12.9
85.02904	24.2
87.04463	3.0
91.05490	67.8
92.05828	4.6
93.06472	5.2
93.07050	85.5
93.40941	2.5
95.04992	15.4
95.08613	71.4
96.08968	2.7
97.02905	34.2
97.06535	8.4
97.10172	6.7
99.04449	9.2
99.08038	2.2
103.03947	2.8
105.07039	51.1
106.07381	4.1
107.04958	8.3
107.08604	49.2
108.04475	6.9
109.02892	19.7
109.06536	6.9
109.10167	32.3
111.04445	8.8
111.08083	4.7
115.03928	2.8
115.05405	4.5
117.07030	29.3
119.08584	40.4
120.08936	2.6
121.06507	7.0
121.10158	43.6
123.04501	3.7
123.08069	5.7
123.11736	14.8
125.09668	6.0
127.03927	9.2
128.06184	4.1
129.05504	4.5
129.06990	15.6
131.04977	3.4
131.08585	37.3
133.06482	5.5
133.10139	31.1
134.10477	4.9
135.08060	10.8
135.11674	23.8
137.09663	4.8
137.13229	4.9
139.11214	3.2
141.07001	7.1
143.08601	15.6
145.04973	2.9
145.06479	5.1
145.10130	29.6
147.08054	9.2
147.11705	23.7
149.09618	6.7
149.13297	13.4
151.07521	3.4
151.11201	4.3
155.08583	8.3
157.10170	12.1
158.10625	3.2
159.07961	3.0
159.11691	26.3
160.12022	3.3
161.09641	5.8
161.13246	16.9
163.11183	5.0
163.14824	7.1
165.12784	2.8
167.08517	5.1
169.10135	12.6
171.08000	5.2
171.11710	12.0
173.09659	3.9
173.13313	17.5
175.11177	5.5
175.14876	4.7
177.12807	3.2
181.10115	4.4
183.11737	6.8
185.09615	5.1
185.13266	8.9
187.11269	3.5
187.14786	9.7
189.12794	5.2
191.10641	3.2
195.11705	3.9
197.13223	4.0
199.11298	6.0
199.14908	5.5
201.12794	3.6
211.11227	4.2
211.14668	3.1
213.12802	5.1
213.16463	2.9
235.13316	5.0
243.21065	6.9
249.14906	3.1
254.33925	2.5
259.20557	5.8
261.22186	21.5
273.22064	3.0
275.16449	2.9
277.14462	7.2
277.21683	8.1
285.22363	3.7
289.21576	6.7
291.23111	5.4
295.15186	3.9
300.23883	2.6
301.21579	5.9
303.23105	12.5
313.21661	3.0
313.25143	3.6
315.23248	10.9
327.23026	4.0
331.22650	3.3
341.24591	6.4
345.24149	4.7
351.23154	10.6
369.24274	27.4
387.25342	35.5
405.26364	33.1
423.27457	10.1
434.31293	3.8
441.09164	3.4
452.32474	5.3
526.36298	16.8
544.37189	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05538	0.5
57.03439	0.5
58.65862	0.5
61.02914	0.5
64.20016	0.4
67.05498	1.9
69.03431	3.7
69.07064	1.0
69.40566	4.2
70.06596	1.6
70.72211	0.5
72.08155	0.6
73.92709	0.5
79.05505	1.7
81.03418	1.4
81.07059	3.6
82.50206	0.5
83.04948	0.8
84.89668	0.5
85.02914	5.9
85.06516	0.5
86.09686	0.7
87.04455	0.6
88.65191	0.5
91.05492	3.2
93.07045	4.1
95.04999	1.0
95.08633	3.2
97.02909	1.1
97.06539	1.2
100.07620	0.9
105.07034	4.9
107.08607	3.7
109.02869	1.0
109.06525	9.7
109.10185	0.9
111.08098	0.5
117.07009	1.9
119.08608	4.0
121.06517	2.1
121.10178	2.4
123.08071	1.7
127.03954	1.2
129.07024	1.6
131.08612	3.9
133.10121	3.2
135.08063	4.1
135.11696	1.5
137.06023	0.6
137.09613	0.7
142.07802	0.8
143.08565	6.9
145.05005	0.9
145.10141	6.6
147.08066	2.1
147.11678	3.5
149.05965	0.5
149.09630	2.0
155.08594	2.1
157.10146	4.8
159.08070	0.8
159.11703	4.7
161.09656	3.0
161.13220	0.9
163.11224	1.6
167.08630	1.0
169.10097	1.7
171.11734	3.5
173.09720	0.6
173.13268	1.3
175.11182	1.4
181.10118	1.9
182.10851	0.6
183.11720	2.5
185.09579	0.7
185.13303	1.5
187.11223	1.4
187.14856	0.9
189.12770	1.3
193.10149	0.7
195.11740	1.4
197.13286	3.2
199.11180	1.4
199.14935	0.8
201.12740	2.0
205.12340	0.5
207.11664	0.9
208.02324	0.5
209.13326	2.7
211.11246	0.5
211.14821	0.8
213.12646	0.8
213.16324	1.2
215.14383	2.5
223.14828	0.8
227.14355	2.3
227.17879	0.6
230.06526	0.6
237.16389	1.8
239.18028	0.7
241.15942	0.7
243.13898	0.7
245.15428	0.7
249.16420	0.7
255.17461	53.8
257.18961	3.9
263.17953	0.8
265.19489	0.8
267.17477	3.2
269.19101	0.9
273.18518	16.7
281.18991	4.5
285.18503	23.9
285.52466	0.5
293.18942	1.3
299.20081	33.6
301.21603	0.8
303.19565	43.1
304.19818	0.6
311.20020	4.0
317.21182	3.8
329.21118	6.9
347.22198	100.0
348.22437	0.8
365.23276	8.4
388.24863	2.2
440.72607	0.6
512.20435	1.2
519.80804	0.6
544.22638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
53.03946	1.1
55.01870	0.9
55.05496	1.3
64.91877	0.5
67.05505	1.5
69.87753	0.4
71.55502	0.6
78.04707	2.2
79.05488	4.7
81.03415	0.9
81.07054	1.2
83.04971	0.9
91.05473	1.9
93.03416	0.6
93.07035	1.7
95.04964	2.0
95.08591	1.3
98.19035	0.5
103.05475	4.3
105.03407	4.2
105.04546	0.6
105.07035	6.1
106.04163	1.4
107.04966	8.0
107.08588	0.7
111.91058	0.5
115.05447	1.7
117.07016	2.3
119.08591	1.2
121.02925	0.6
121.06489	2.2
121.10078	0.6
123.04437	6.0
123.08067	1.2
124.05235	3.0
124.50198	0.5
129.07016	1.3
131.04935	7.8
131.08589	1.2
133.06494	6.7
133.10188	0.6
134.03670	0.6
135.08055	1.1
137.06003	3.5
141.06972	1.4
143.04970	0.9
145.06508	2.4
145.10112	0.6
146.10458	0.5
147.04434	1.5
147.08052	1.2
147.11719	0.6
148.19475	0.5
149.05960	0.9
151.03912	1.1
151.07524	3.5
152.04684	2.0
155.08588	0.6
157.10117	1.1
158.07286	1.1
159.08054	1.5
160.05199	0.6
161.05984	5.8
163.07558	14.3
165.05487	0.7
165.09099	0.8
167.07048	100.0
168.07272	0.6
169.06413	0.8
169.10126	0.9
170.10716	0.5
171.11755	0.8
172.11984	0.7
173.06046	1.5
173.09613	2.3
175.07547	2.2
177.07704	0.6
177.09087	3.2
179.07056	3.6
181.08591	4.7
183.11682	1.0
184.12099	0.5
185.13298	0.7
186.06705	0.6
187.07549	2.2
189.08980	0.7
193.06834	1.0
193.08618	18.1
195.08131	0.6
196.08566	0.5
201.09132	2.0
205.08646	0.9
207.10138	0.8
209.13385	0.6
217.08626	0.8
219.10094	2.5
220.08801	0.7
230.12515	0.6
233.11650	2.9
237.11253	1.9
250.80199	0.5
263.10773	1.1
275.31021	0.7
291.10251	0.8
323.12845	2.1
327.85150	0.6
328.20074	0.6
355.15408	13.3
364.69370	0.6
387.17953	9.1
388.21979	1.5
394.00360	0.6
402.73776	0.5
405.19107	18.4
406.20480	0.6
424.21902	0.8
452.21503	0.8
484.24060	0.8
512.23651	0.6
544.25757	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82955	0.6
51.63978	0.5
53.03944	4.7
55.01867	3.5
55.05515	15.0
56.24730	0.5
57.03434	2.9
57.05663	0.6
57.07048	1.9
59.05002	0.5
59.86124	0.5
65.03941	2.6
66.87174	0.6
67.05509	33.9
69.03399	1.6
69.06732	0.8
69.07070	11.2
69.38731	1.5
69.39153	3.0
71.05005	3.5
73.02894	1.1
77.03929	0.6
79.05498	46.4
81.03416	2.7
81.07062	33.9
83.04984	3.8
83.08623	8.3
85.06525	0.9
88.11620	0.5
89.01861	0.5
90.00588	0.5
91.05489	23.3
91.52910	0.5
93.07050	55.3
95.04459	0.6
95.04980	8.5
95.08613	47.1
97.02888	2.7
97.06522	3.6
97.10144	2.0
97.90815	0.7
99.04461	3.2
99.08073	0.7
103.05455	1.4
105.04508	1.3
105.07035	16.3
107.04305	0.7
107.04963	8.2
107.08602	37.4
109.06496	2.0
109.10169	7.2
109.51775	0.6
111.04435	1.3
111.08090	1.6
113.09534	0.6
115.05456	1.1
117.07028	14.9
119.08587	14.7
121.06509	5.3
121.10149	19.9
123.08064	1.1
123.11710	1.8
125.05966	2.4
125.09617	0.8
129.06976	1.6
130.07790	2.6
131.08574	7.0
133.10135	7.3
135.08022	2.1
135.11699	45.4
137.09549	0.6
139.07536	1.7
139.83609	0.5
143.08534	2.0
145.10127	27.3
147.11711	2.6
149.13283	3.9
149.14311	0.7
153.12775	0.8
157.10138	1.0
159.11681	2.9
161.13229	1.8
163.11191	53.0
169.10094	0.8
171.11592	0.7
173.09610	1.3
173.13274	2.2
175.14828	1.5
181.12241	11.4
183.11664	0.6
185.13307	0.7
187.14882	1.2
209.11765	2.5
213.16464	0.7
227.12790	100.0
228.12964	0.6
234.32700	0.6
243.21101	1.1
261.22220	5.1
275.20172	0.7
298.70004	0.5
309.50891	0.5
317.24805	3.1
350.56827	0.6
379.92676	0.5
408.05054	0.6
451.32281	1.7
469.33017	1.4
525.36377	1.4
543.36847	91.6
544.37671	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
53.03955	3.2
53.09124	0.4
55.01873	3.2
55.05513	12.1
57.03413	2.0
57.07052	1.6
60.85720	0.4
63.93110	0.5
65.03924	1.8
67.05509	31.2
69.03406	1.4
69.06724	0.7
69.07072	8.7
69.33745	3.3
69.34157	1.0
71.05004	2.4
73.02917	0.9
77.03898	1.1
79.05496	37.1
81.03438	2.8
81.07061	30.1
83.04990	3.6
83.08620	7.3
85.06531	0.8
91.05486	19.5
93.07048	48.0
95.04978	7.1
95.08612	40.0
97.02882	2.9
97.06523	3.9
97.10157	1.1
99.04455	3.0
99.08066	0.5
103.05460	0.9
105.04492	1.5
105.07038	13.7
105.81320	0.5
107.04971	7.2
107.08601	30.3
109.06520	2.6
109.10153	6.3
111.04465	0.7
111.08041	1.5
111.11653	0.5
113.06029	0.7
113.83672	0.5
115.05388	0.6
117.07027	11.1
118.94575	0.5
119.08588	12.3
121.06497	5.0
121.10151	17.0
123.08019	0.6
123.11681	1.3
125.05974	1.9
128.06218	0.6
129.06956	1.8
130.07771	1.6
131.08574	5.9
133.10133	7.0
135.00642	0.5
135.08032	1.9
135.11702	40.1
139.07568	1.2
143.08560	1.8
144.74768	0.5
145.10130	26.5
147.11684	3.1
149.13275	2.6
153.12779	0.7
157.10213	0.7
159.11690	2.7
161.13319	2.2
163.11191	44.6
171.11674	0.8
173.09599	0.5
173.13261	2.0
175.14806	0.6
181.12242	10.7
185.13293	0.9
187.14967	0.6
206.75740	0.6
209.11768	2.0
227.12791	100.0
229.14336	0.5
243.21021	1.6
246.63905	0.5
261.22125	5.2
299.23569	0.6
317.24844	1.5
359.23587	0.8
433.31024	0.6
469.33105	0.9
523.19763	0.6
525.35742	1.4
543.36835	80.1
544.37085	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.1
55.01868	4.5
55.05499	13.7
57.03440	23.7
57.07042	4.7
58.06591	9.3
65.03940	2.9
67.05509	25.9
68.21363	3.4
68.33784	2.9
69.03427	16.9
69.07063	10.4
71.05025	6.8
71.41457	2.7
79.05491	34.1
80.94807	2.8
81.03410	6.0
81.07058	41.7
83.04964	23.9
83.08612	6.2
85.06554	5.6
91.05479	48.0
93.07053	40.3
95.03069	3.2
95.04976	10.1
95.08596	32.2
97.06549	16.2
98.21467	6.2
99.08104	5.9
105.03431	3.4
105.07035	69.3
107.04980	7.2
107.08602	50.8
109.06512	21.6
109.10147	17.8
109.39336	2.9
111.08084	8.1
115.05449	7.4
117.07006	23.0
119.04958	3.8
119.08574	64.0
121.06494	14.6
121.10149	24.7
123.08060	9.0
125.09614	5.7
125.16972	2.9
128.06218	10.2
129.07028	23.1
130.07791	10.9
131.08577	41.8
133.06493	4.8
133.10141	52.5
135.08052	50.1
135.11676	9.7
137.09602	23.1
141.06989	9.5
142.07771	14.7
143.08568	39.2
144.09335	9.7
145.06549	4.5
145.10127	100.0
147.08041	18.8
147.11700	20.0
149.08560	6.1
149.09633	71.7
151.11110	3.9
153.06940	4.2
155.08536	16.7
156.09332	13.3
157.10147	38.9
158.10954	3.6
159.08063	13.6
159.11717	27.1
160.08772	3.6
161.09634	29.0
161.13271	10.5
163.11183	24.0
165.06992	5.1
167.08508	6.4
168.09290	5.1
169.10092	16.5
170.10913	11.4
171.08028	5.7
171.11681	32.9
172.08882	4.1
173.09624	25.9
173.13248	14.2
174.10356	3.0
175.11186	22.3
177.09158	3.1
177.12715	8.0
179.08624	7.1
179.10658	8.9
179.14149	3.1
180.09348	5.6
181.10100	14.8
182.10849	7.0
183.11671	16.4
184.12393	3.4
185.09668	8.1
185.13223	25.3
186.10205	3.7
186.13925	4.3
187.11180	41.0
187.14769	9.0
189.12755	14.7
191.10701	6.3
192.09233	3.7
193.10115	10.8
194.10927	8.2
195.11703	19.4
195.58545	3.6
196.12483	5.4
197.09589	3.0
197.13286	22.3
199.11166	12.1
199.14766	9.6
201.12807	21.1
201.16408	3.8
203.14381	14.2
205.10039	5.8
205.12114	4.8
205.15900	4.7
206.10919	4.9
207.11705	8.4
209.09848	4.0
209.13264	14.3
210.10284	3.6
211.11226	6.5
211.14737	7.3
213.12752	20.4
214.13400	4.4
215.14354	18.1
217.12215	6.2
219.11768	3.9
219.13635	6.4
221.13272	14.7
222.14034	4.6
223.11226	5.0
223.14795	9.5
224.12056	4.2
225.12724	10.5
227.14276	7.8
229.12267	4.7
229.15875	10.9
231.11737	4.4
231.13831	7.9
233.13208	5.1
233.15338	10.6
234.14061	3.8
235.14781	10.5
236.15495	3.2
237.12712	8.0
237.16370	13.9
239.14297	10.5
241.15961	7.9
243.17508	6.3
244.12444	3.2
245.13249	4.9
247.14803	4.0
249.16403	5.6
251.14322	6.9
253.15918	8.1
259.14841	6.8
261.16318	4.7
262.63553	3.0
263.18130	3.2
264.15036	4.2
264.18698	4.0
265.15829	5.9
266.16187	3.5
267.17389	8.4
272.15607	5.8
274.17065	3.4
279.17404	14.7
279.20905	4.1
281.18930	32.7
285.18646	5.2
287.14691	3.7
287.17810	4.5
289.19409	10.0
291.17184	4.8
295.20404	3.8
305.18903	9.5
307.17480	3.5
307.20477	17.6
313.21588	8.5
317.18967	4.4
321.22223	18.7
323.20135	7.1
325.21603	10.6
331.20493	7.7
333.18100	3.0
333.22092	4.1
345.22040	3.0
347.23837	7.6
349.21600	88.1
350.22284	4.6
351.23203	24.1
365.24850	5.3
367.22672	6.5
375.23065	14.1
393.24234	34.2
399.62271	3.2
411.25299	57.2
421.27393	47.4
447.28769	7.4
465.29828	20.8
481.29568	32.1
483.31000	23.3
525.32159	26.9
543.33936	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	3.1
51.31246	3.8
51.76312	3.2
53.03944	8.9
55.01875	21.9
55.05300	4.0
55.05515	43.2
59.02497	3.4
67.05501	14.6
69.03419	9.5
69.07053	9.8
79.05486	26.9
81.03406	15.8
81.07062	17.7
82.62933	3.3
83.04988	83.7
83.08615	5.3
91.05482	53.0
93.07050	32.6
95.04958	17.1
95.08622	19.9
103.05479	10.4
105.03385	8.8
105.07040	51.6
107.04967	10.6
107.08601	28.8
109.06544	7.0
109.10173	13.7
111.08092	6.1
115.05477	18.2
117.07021	40.2
119.08580	52.0
121.06492	9.8
121.10149	26.6
123.08036	6.8
125.09744	4.2
128.06227	10.3
129.07021	36.9
131.04887	4.3
131.08589	29.7
133.06499	10.3
133.10150	39.9
135.08060	13.3
135.11723	5.8
141.07101	6.1
142.07751	7.6
143.08583	32.5
144.09335	4.8
145.06512	30.8
145.10112	39.3
147.08049	100.0
147.11665	14.9
149.09613	24.8
149.13284	5.8
153.06955	3.4
155.08565	20.4
156.09355	13.2
157.10130	48.7
158.07262	5.7
158.10934	4.7
159.08032	29.7
159.11740	33.3
161.05971	8.0
161.09642	41.1
161.13295	6.6
163.07565	29.8
163.11226	6.7
165.06952	7.0
165.09047	5.1
166.07730	3.9
167.08588	10.1
168.09331	6.2
169.10112	20.9
170.10931	11.1
171.08054	13.1
171.11700	75.2
172.12312	4.5
173.06012	7.7
173.09637	68.4
173.13219	24.3
175.07513	8.1
175.11200	14.4
177.09142	14.0
179.08656	7.1
180.09383	4.0
181.10103	9.4
182.07486	3.5
182.23256	4.1
183.08063	7.6
183.11694	33.5
184.12334	4.9
185.09596	18.9
185.13266	52.7
187.07510	3.9
187.11272	24.3
187.14807	11.7
189.09097	8.7
189.12807	4.2
191.10687	9.8
193.08588	5.4
193.10179	9.0
193.12161	5.7
195.08054	3.7
195.11723	11.3
197.09627	12.9
197.13306	51.4
199.11224	13.1
199.14748	7.1
201.09128	10.5
201.12737	14.1
203.10660	8.4
203.14275	4.8
205.08530	6.3
205.10197	5.3
205.12149	5.5
206.10796	4.1
207.03209	4.6
207.11671	13.4
208.12563	4.3
209.09688	8.3
209.13300	5.1
211.11159	11.0
213.12764	29.1
215.10751	9.0
215.14381	21.4
217.10207	7.4
217.12225	11.8
219.11813	5.1
219.13799	5.0
220.12439	4.7
221.09744	6.3
221.13274	10.2
223.11299	5.2
225.04196	4.2
225.09187	4.5
225.12750	16.5
227.10687	5.6
229.12279	12.1
230.10928	6.4
231.11827	6.0
231.13689	7.6
233.13338	7.3
233.15396	10.7
235.11197	3.6
235.14716	10.3
237.12718	11.0
237.16588	4.5
239.10567	5.6
241.12247	5.4
243.11766	5.7
243.13815	27.2
243.54341	4.5
244.12549	5.5
245.11386	18.6
245.15388	26.9
246.13976	6.1
247.11139	4.5
247.15089	4.6
249.12616	9.8
258.14114	5.0
260.11911	4.4
261.12622	4.9
261.14658	23.3
263.14133	7.2
271.14746	8.8
273.12466	6.9
273.15024	8.7
275.14465	4.8
285.12897	8.9
287.14377	8.2
289.15744	5.1
291.17273	5.4
297.15097	6.0
297.18503	7.7
299.14325	14.7
299.17676	4.2
301.15820	9.0
301.19189	4.0
303.14023	5.0
303.17194	8.4
313.15857	5.0
314.16446	5.7
315.17142	7.0
317.18823	4.2
319.16510	4.9
327.13974	5.3
329.18951	27.0
330.19556	3.8
331.16846	6.8
335.20160	4.2
343.16943	4.5
343.20615	9.6
345.18381	8.9
347.16483	5.9
347.20099	5.9
359.20099	5.6
361.17746	6.0
361.21588	11.0
363.19504	11.7
365.20947	4.4
371.20044	10.2
373.17847	5.0
377.20999	11.9
379.22873	6.8
387.19623	7.1
389.21167	75.2
391.18924	5.0
405.20587	19.3
407.22247	68.0
410.83167	3.9
421.20139	5.2
423.21722	12.7
425.23410	23.3
443.24298	4.6
445.25879	5.1
451.32104	4.7
465.22675	10.6
469.73584	4.3
483.23660	7.6
507.27216	7.0
543.25562	14.6
543.34882	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	543.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	3.1
51.31246	3.8
51.76312	3.2
53.03944	8.9
55.01875	21.9
55.05300	4.0
55.05515	43.2
59.02497	3.4
67.05501	14.6
69.03419	9.5
69.07053	9.8
79.05486	26.9
81.03406	15.8
81.07062	17.7
82.62933	3.3
83.04988	83.7
83.08615	5.3
91.05482	53.0
93.07050	32.6
95.04958	17.1
95.08622	19.9
103.05479	10.4
105.03385	8.8
105.07040	51.6
107.04967	10.6
107.08601	28.8
109.06544	7.0
109.10173	13.7
111.08092	6.1
115.05477	18.2
117.07021	40.2
119.08580	52.0
121.06492	9.8
121.10149	26.6
123.08036	6.8
125.09744	4.2
128.06227	10.3
129.07021	36.9
131.04887	4.3
131.08589	29.7
133.06499	10.3
133.10150	39.9
135.08060	13.3
135.11723	5.8
141.07101	6.1
142.07751	7.6
143.08583	32.5
144.09335	4.8
145.06512	30.8
145.10112	39.3
147.08049	100.0
147.11665	14.9
149.09613	24.8
149.13284	5.8
153.06955	3.4
155.08565	20.4
156.09355	13.2
157.10130	48.7
158.07262	5.7
158.10934	4.7
159.08032	29.7
159.11740	33.3
161.05971	8.0
161.09642	41.1
161.13295	6.6
163.07565	29.8
163.11226	6.7
165.06952	7.0
165.09047	5.1
166.07730	3.9
167.08588	10.1
168.09331	6.2
169.10112	20.9
170.10931	11.1
171.08054	13.1
171.11700	75.2
172.12312	4.5
173.06012	7.7
173.09637	68.4
173.13219	24.3
175.07513	8.1
175.11200	14.4
177.09142	14.0
179.08656	7.1
180.09383	4.0
181.10103	9.4
182.07486	3.5
182.23256	4.1
183.08063	7.6
183.11694	33.5
184.12334	4.9
185.09596	18.9
185.13266	52.7
187.07510	3.9
187.11272	24.3
187.14807	11.7
189.09097	8.7
189.12807	4.2
191.10687	9.8
193.08588	5.4
193.10179	9.0
193.12161	5.7
195.08054	3.7
195.11723	11.3
197.09627	12.9
197.13306	51.4
199.11224	13.1
199.14748	7.1
201.09128	10.5
201.12737	14.1
203.10660	8.4
203.14275	4.8
205.08530	6.3
205.10197	5.3
205.12149	5.5
206.10796	4.1
207.03209	4.6
207.11671	13.4
208.12563	4.3
209.09688	8.3
209.13300	5.1
211.11159	11.0
213.12764	29.1
215.10751	9.0
215.14381	21.4
217.10207	7.4
217.12225	11.8
219.11813	5.1
219.13799	5.0
220.12439	4.7
221.09744	6.3
221.13274	10.2
223.11299	5.2
225.04196	4.2
225.09187	4.5
225.12750	16.5
227.10687	5.6
229.12279	12.1
230.10928	6.4
231.11827	6.0
231.13689	7.6
233.13338	7.3
233.15396	10.7
235.11197	3.6
235.14716	10.3
237.12718	11.0
237.16588	4.5
239.10567	5.6
241.12247	5.4
243.11766	5.7
243.13815	27.2
243.54341	4.5
244.12549	5.5
245.11386	18.6
245.15388	26.9
246.13976	6.1
247.11139	4.5
247.15089	4.6
249.12616	9.8
258.14114	5.0
260.11911	4.4
261.12622	4.9
261.14658	23.3
263.14133	7.2
271.14746	8.8
273.12466	6.9
273.15024	8.7
275.14465	4.8
285.12897	8.9
287.14377	8.2
289.15744	5.1
291.17273	5.4
297.15097	6.0
297.18503	7.7
299.14325	14.7
299.17676	4.2
301.15820	9.0
301.19189	4.0
303.14023	5.0
303.17194	8.4
313.15857	5.0
314.16446	5.7
315.17142	7.0
317.18823	4.2
319.16510	4.9
327.13974	5.3
329.18951	27.0
330.19556	3.8
331.16846	6.8
335.20160	4.2
343.16943	4.5
343.20615	9.6
345.18381	8.9
347.16483	5.9
347.20099	5.9
359.20099	5.6
361.17746	6.0
361.21588	11.0
363.19504	11.7
365.20947	4.4
371.20044	10.2
373.17847	5.0
377.20999	11.9
379.22873	6.8
387.19623	7.1
389.21167	75.2
391.18924	5.0
405.20587	19.3
407.22247	68.0
410.83167	3.9
421.20139	5.2
423.21722	12.7
425.23410	23.3
443.24298	4.6
445.25879	5.1
451.32104	4.7
465.22675	10.6
469.73584	4.3
483.23660	7.6
507.27216	7.0
543.25562	14.6
543.34882	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	543.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	3.1
51.31246	3.8
51.76312	3.2
53.03944	8.9
55.01875	21.9
55.05300	4.0
55.05515	43.2
59.02497	3.4
67.05501	14.6
69.03419	9.5
69.07053	9.8
79.05486	26.9
81.03406	15.8
81.07062	17.7
82.62933	3.3
83.04988	83.7
83.08615	5.3
91.05482	53.0
93.07050	32.6
95.04958	17.1
95.08622	19.9
103.05479	10.4
105.03385	8.8
105.07040	51.6
107.04967	10.6
107.08601	28.8
109.06544	7.0
109.10173	13.7
111.08092	6.1
115.05477	18.2
117.07021	40.2
119.08580	52.0
121.06492	9.8
121.10149	26.6
123.08036	6.8
125.09744	4.2
128.06227	10.3
129.07021	36.9
131.04887	4.3
131.08589	29.7
133.06499	10.3
133.10150	39.9
135.08060	13.3
135.11723	5.8
141.07101	6.1
142.07751	7.6
143.08583	32.5
144.09335	4.8
145.06512	30.8
145.10112	39.3
147.08049	100.0
147.11665	14.9
149.09613	24.8
149.13284	5.8
153.06955	3.4
155.08565	20.4
156.09355	13.2
157.10130	48.7
158.07262	5.7
158.10934	4.7
159.08032	29.7
159.11740	33.3
161.05971	8.0
161.09642	41.1
161.13295	6.6
163.07565	29.8
163.11226	6.7
165.06952	7.0
165.09047	5.1
166.07730	3.9
167.08588	10.1
168.09331	6.2
169.10112	20.9
170.10931	11.1
171.08054	13.1
171.11700	75.2
172.12312	4.5
173.06012	7.7
173.09637	68.4
173.13219	24.3
175.07513	8.1
175.11200	14.4
177.09142	14.0
179.08656	7.1
180.09383	4.0
181.10103	9.4
182.07486	3.5
182.23256	4.1
183.08063	7.6
183.11694	33.5
184.12334	4.9
185.09596	18.9
185.13266	52.7
187.07510	3.9
187.11272	24.3
187.14807	11.7
189.09097	8.7
189.12807	4.2
191.10687	9.8
193.08588	5.4
193.10179	9.0
193.12161	5.7
195.08054	3.7
195.11723	11.3
197.09627	12.9
197.13306	51.4
199.11224	13.1
199.14748	7.1
201.09128	10.5
201.12737	14.1
203.10660	8.4
203.14275	4.8
205.08530	6.3
205.10197	5.3
205.12149	5.5
206.10796	4.1
207.03209	4.6
207.11671	13.4
208.12563	4.3
209.09688	8.3
209.13300	5.1
211.11159	11.0
213.12764	29.1
215.10751	9.0
215.14381	21.4
217.10207	7.4
217.12225	11.8
219.11813	5.1
219.13799	5.0
220.12439	4.7
221.09744	6.3
221.13274	10.2
223.11299	5.2
225.04196	4.2
225.09187	4.5
225.12750	16.5
227.10687	5.6
229.12279	12.1
230.10928	6.4
231.11827	6.0
231.13689	7.6
233.13338	7.3
233.15396	10.7
235.11197	3.6
235.14716	10.3
237.12718	11.0
237.16588	4.5
239.10567	5.6
241.12247	5.4
243.11766	5.7
243.13815	27.2
243.54341	4.5
244.12549	5.5
245.11386	18.6
245.15388	26.9
246.13976	6.1
247.11139	4.5
247.15089	4.6
249.12616	9.8
258.14114	5.0
260.11911	4.4
261.12622	4.9
261.14658	23.3
263.14133	7.2
271.14746	8.8
273.12466	6.9
273.15024	8.7
275.14465	4.8
285.12897	8.9
287.14377	8.2
289.15744	5.1
291.17273	5.4
297.15097	6.0
297.18503	7.7
299.14325	14.7
299.17676	4.2
301.15820	9.0
301.19189	4.0
303.14023	5.0
303.17194	8.4
313.15857	5.0
314.16446	5.7
315.17142	7.0
317.18823	4.2
319.16510	4.9
327.13974	5.3
329.18951	27.0
330.19556	3.8
331.16846	6.8
335.20160	4.2
343.16943	4.5
343.20615	9.6
345.18381	8.9
347.16483	5.9
347.20099	5.9
359.20099	5.6
361.17746	6.0
361.21588	11.0
363.19504	11.7
365.20947	4.4
371.20044	10.2
373.17847	5.0
377.20999	11.9
379.22873	6.8
387.19623	7.1
389.21167	75.2
391.18924	5.0
405.20587	19.3
407.22247	68.0
410.83167	3.9
421.20139	5.2
423.21722	12.7
425.23410	23.3
443.24298	4.6
445.25879	5.1
451.32104	4.7
465.22675	10.6
469.73584	4.3
483.23660	7.6
507.27216	7.0
543.25562	14.6
543.34882	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	543.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29948	3.9
55.01862	3.8
55.05507	8.4
55.83628	2.9
57.03436	3.9
59.77177	3.4
61.02909	3.1
65.03925	5.8
67.05506	19.1
69.03414	10.4
69.07067	9.1
69.24993	5.9
69.25336	32.8
79.05493	31.6
81.03418	10.2
81.07056	21.3
83.04963	9.6
83.08568	3.5
85.02907	50.3
85.06540	4.7
91.05489	35.1
93.07040	36.8
95.01301	4.3
95.04967	27.2
95.08610	26.3
97.02866	4.2
97.06575	4.8
103.05528	3.7
105.07034	63.4
107.04939	10.0
107.08588	29.6
109.02879	4.1
109.06521	12.4
109.10167	11.9
111.04407	4.5
111.08056	4.9
115.05463	3.7
117.07020	13.9
119.04951	6.9
119.08595	63.3
119.09381	6.9
121.06497	13.0
121.10153	15.0
123.08090	8.0
125.09606	4.6
128.06242	6.7
129.07004	13.6
131.08592	21.7
133.06477	13.5
133.10120	13.9
135.04437	3.6
135.08105	7.9
137.06038	8.2
137.09578	6.5
141.07034	3.5
142.07747	9.6
143.08565	26.5
145.04808	3.6
145.06509	6.0
145.10107	28.7
147.08055	21.8
147.11652	6.2
149.05989	3.9
149.09569	9.7
151.07541	7.5
154.07805	4.0
155.08562	14.6
156.09332	8.3
157.10132	34.8
158.07281	5.1
159.08057	14.4
159.11670	19.5
161.09642	10.4
163.07494	4.8
165.06992	6.8
165.09184	7.2
166.07713	7.2
167.08569	9.3
168.09355	7.6
169.10127	27.0
170.10883	4.6
171.08102	8.3
171.11693	20.9
173.09621	10.2
173.13300	5.9
175.11150	5.0
177.09084	4.7
178.07779	5.6
179.08556	15.5
179.10535	3.1
180.09344	5.3
181.10176	16.8
182.10852	9.8
183.08025	8.0
183.11697	28.2
185.09641	19.2
185.13245	9.2
187.11180	10.5
189.09265	4.2
191.10657	5.8
192.09351	11.4
193.10127	24.0
194.10971	8.6
195.08075	6.6
195.11705	32.1
196.08827	4.9
197.09628	11.6
197.13280	15.7
198.10388	4.8
199.11172	22.8
199.14772	5.1
200.12015	7.8
201.09084	8.8
201.12755	7.7
202.07840	5.0
205.10138	9.9
206.10902	23.6
207.11659	35.6
208.12442	10.3
209.09680	11.9
209.13307	25.4
210.10446	10.8
210.13977	4.3
211.11212	14.8
211.14812	8.3
213.12752	13.8
215.10664	5.1
217.10231	7.6
217.12218	5.4
218.10893	3.2
219.11734	18.3
220.12497	12.4
221.09807	3.8
221.13255	54.7
222.14037	9.9
223.11209	14.3
223.14777	19.9
224.11905	7.7
225.12749	16.3
225.16328	5.3
226.13437	3.9
227.10643	8.4
227.14290	6.0
229.10129	5.7
229.12228	9.7
230.10876	7.1
231.11678	12.4
231.13762	5.7
232.12477	8.9
233.09602	7.1
233.13255	19.8
234.14137	5.5
235.11208	7.9
235.14764	25.8
236.15608	6.7
236.74454	4.2
237.12747	11.0
237.16441	22.1
238.13527	5.4
239.14284	16.8
241.12294	7.0
242.10909	5.3
243.11656	9.4
243.13811	10.3
244.12514	11.3
245.13220	11.9
246.10495	3.4
246.13954	8.6
247.11235	6.3
247.14920	16.5
248.15582	4.6
249.12888	6.3
249.16417	8.1
251.14316	9.4
253.12341	4.8
253.15932	10.1
256.12491	4.6
257.13269	11.1
258.14081	8.2
259.14886	10.2
260.15604	5.1
261.12738	5.8
261.16397	12.5
263.14423	9.8
265.15945	11.4
267.13809	5.8
267.17383	18.7
270.14142	4.4
271.14914	5.6
273.16333	8.0
275.14465	6.9
275.17999	11.5
277.15778	5.6
281.15292	6.0
283.14786	7.2
284.15411	4.7
287.17935	4.3
291.14099	3.7
291.17422	7.4
293.15427	4.1
298.16992	5.4
301.15732	4.9
303.13907	5.0
303.17413	3.4
309.18481	22.8
313.19482	21.4
315.13434	3.8
315.17300	4.9
317.15436	4.2
319.16776	5.6
321.14764	10.1
321.18317	4.1
327.19595	13.6
331.16864	5.1
331.20566	26.9
333.18475	7.7
341.18930	9.5
343.16965	6.8
344.17581	6.7
345.18808	4.5
349.18057	5.2
349.21536	22.0
351.19485	11.2
359.20038	100.0
361.17886	38.1
363.19803	5.7
377.21118	91.0
379.19064	17.1
387.20309	32.0
395.22147	13.1
405.15836	5.0
405.20673	68.5
423.21802	23.3
447.22226	10.3
465.22681	39.5
483.23740	29.5
525.24884	16.9
543.24542	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	543.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76951	0.6
53.03938	0.9
55.01859	1.4
55.05499	1.9
55.31578	0.6
57.03428	0.6
57.70129	0.6
62.54629	0.6
65.03888	0.6
67.05500	4.2
69.03427	1.2
69.07056	2.5
75.64855	0.6
76.20829	0.5
79.05505	3.6
81.03403	2.5
81.07045	2.8
83.41034	0.7
90.88848	0.6
91.05476	6.7
93.07047	5.4
95.01341	1.4
95.04975	6.4
95.08593	1.4
97.02892	11.4
103.05496	1.2
105.07024	4.9
107.04938	2.1
107.08582	2.8
109.06522	2.2
115.05458	1.3
117.07024	3.8
119.04933	2.4
119.08589	8.0
121.06507	1.7
121.10144	1.4
123.04446	2.4
123.08032	0.8
128.06216	1.9
129.07024	3.5
131.04924	0.8
131.08572	9.1
133.06497	3.1
133.10126	3.4
135.04425	0.9
135.08073	4.3
137.05965	4.3
137.09714	0.7
141.06947	3.1
142.07753	1.2
143.08556	3.6
144.98230	0.6
145.06467	3.9
145.10118	2.3
147.04460	1.0
147.08041	5.8
149.09651	1.8
153.06978	3.7
154.07787	1.6
155.08557	17.7
156.09314	2.5
157.06523	1.7
157.10117	2.5
159.08061	2.7
159.11707	1.9
161.05968	6.1
161.09592	4.8
163.07568	6.3
163.11168	0.9
165.04152	0.9
165.05479	12.7
165.07002	3.5
166.07791	1.2
167.08571	5.9
168.09367	4.5
169.06531	4.5
169.10146	6.9
170.07280	1.1
171.04338	0.8
171.08061	2.8
171.11719	2.3
173.09639	1.1
173.13289	0.7
179.07083	0.8
179.08556	2.0
180.09375	4.2
181.06491	1.8
181.08646	1.1
181.10034	3.5
182.10916	7.1
183.08066	20.3
183.11649	3.3
184.08820	2.4
185.09641	3.4
185.13292	1.2
191.08501	1.0
192.09352	3.2
195.08105	3.6
195.11705	17.8
196.08844	6.6
196.12508	0.7
197.09647	5.3
197.13261	24.5
199.11157	3.6
199.14787	0.7
201.09100	3.2
201.12767	1.4
207.11716	6.2
208.62730	0.6
209.09644	1.7
209.13274	1.5
210.10367	8.9
211.11113	1.3
213.12758	2.0
215.14224	1.5
223.11252	2.0
223.14853	0.7
225.12740	100.0
226.13216	1.3
227.10783	0.7
227.14301	3.9
229.55453	0.7
241.15912	0.9
243.13828	16.3
245.11726	2.5
263.14227	1.3
285.14877	18.9
303.15897	5.8
345.16895	3.8
369.18405	1.9
375.19379	2.3
387.19614	6.8
405.20615	16.1
423.21637	2.8
447.21848	1.8
451.31680	0.6
465.22757	11.9
483.23477	1.7
525.24750	3.0
525.36066	0.8
543.25726	12.5
543.36389	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	543.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01878	7.1
55.05510	4.1
65.03934	1.1
67.05511	4.9
67.30489	0.8
69.03426	3.0
69.07062	5.1
71.54984	1.0
79.05495	14.8
81.03414	3.5
81.07053	5.2
83.04978	2.8
85.02903	2.1
85.06555	1.4
86.26817	0.9
91.05480	18.8
93.07040	18.4
95.04959	6.7
95.08602	4.4
97.28147	0.9
103.05463	3.9
105.03399	3.0
105.04512	1.7
105.07036	30.1
107.04276	0.8
107.04964	4.2
107.08594	13.4
109.06506	4.5
109.10146	1.6
115.05440	8.2
116.06213	1.1
117.07023	22.6
119.04946	2.3
119.08588	18.7
121.06535	5.8
121.10139	8.5
123.08060	2.5
128.06200	6.2
129.07010	8.3
130.07800	2.2
131.04936	4.3
131.08560	18.9
133.06491	18.6
133.10129	10.4
135.08057	16.0
137.09615	1.6
138.71423	0.9
141.06985	5.8
142.07791	10.2
143.04953	2.3
143.08563	22.7
144.09340	2.1
145.06503	12.4
145.10112	13.0
146.07224	1.0
147.08049	7.8
147.11703	2.2
149.06003	2.1
149.09616	26.1
149.13200	1.0
151.07559	3.2
153.07027	2.7
154.07777	2.5
155.06137	1.1
155.08553	13.4
156.09338	28.3
157.06511	1.5
157.10129	34.8
158.10919	1.0
159.04445	2.1
159.08061	11.6
159.11688	10.3
161.05975	10.8
161.09648	6.5
163.07591	3.3
163.11163	3.3
165.06982	4.1
165.09216	1.3
166.07797	2.2
167.08578	3.3
168.09357	4.1
169.10127	19.0
170.10919	20.6
171.08060	12.5
171.11687	100.0
172.08826	2.7
172.12398	2.2
173.09639	9.9
173.13179	5.1
175.07587	2.6
175.11195	3.1
177.09087	3.0
178.07666	1.1
179.07066	2.4
179.08569	5.0
180.09348	2.8
181.10146	6.0
182.10892	1.2
183.08141	5.8
183.11697	55.0
184.08841	4.0
184.12473	4.6
185.09715	10.0
185.13260	82.3
186.10376	2.1
187.07561	1.4
187.11177	6.6
187.14821	1.2
189.09090	2.0
189.12732	2.0
191.08643	2.3
192.09332	2.1
193.08643	1.3
193.10120	5.1
194.10825	1.6
195.08112	1.9
195.11671	9.0
196.08813	1.5
197.09637	10.9
197.13232	5.6
198.10423	7.5
199.07533	4.4
199.11189	12.0
199.90047	1.2
200.11938	3.2
201.09152	4.0
201.12688	6.9
202.07875	1.1
203.08493	1.5
203.10689	1.4
203.14235	1.0
204.09363	1.5
205.10147	2.7
205.12288	3.1
206.10864	3.3
207.11723	7.1
208.12498	2.3
209.09628	3.1
209.13298	5.9
211.11203	11.4
211.14848	2.2
213.09489	1.8
213.12741	68.3
215.08762	1.6
215.10596	4.5
215.14218	1.7
216.09241	1.6
217.08553	2.7
217.10185	3.9
217.12206	2.2
218.10944	2.0
219.11765	5.2
220.12453	2.3
221.09711	1.4
221.13264	7.4
222.10335	1.1
222.14116	1.2
223.11230	4.3
223.14847	3.2
224.11951	1.0
225.12761	2.9
227.10739	1.5
227.14330	1.5
229.10204	2.0
229.12166	8.0
230.10927	2.6
231.09834	5.6
231.11818	3.4
231.13901	3.8
232.12508	3.3
233.09509	1.3
233.13330	4.8
234.14035	2.6
235.11157	3.1
235.14835	3.2
236.12033	2.2
237.12778	3.6
237.16418	2.3
239.10886	1.5
239.14331	1.5
241.10132	1.3
241.12279	5.9
242.10936	1.3
243.11629	3.1
243.13812	29.1
244.12471	3.4
245.13280	4.8
245.15379	69.0
246.14073	2.9
247.11116	1.8
247.13208	3.7
247.15155	2.9
248.12013	2.6
249.12778	3.2
249.16388	2.7
251.14388	3.2
253.15862	1.3
255.11650	2.5
255.13956	1.7
256.12476	2.4
257.11661	3.4
257.13483	3.2
258.14044	3.3
259.11078	2.1
259.14999	6.2
260.12003	2.1
260.15610	3.4
261.12769	3.1
261.16583	2.5
262.17203	1.1
263.14276	3.2
265.12216	1.1
265.15915	1.8
267.13986	1.5
269.13309	2.1
270.14053	3.9
271.13300	3.6
271.15344	1.2
272.15634	1.8
273.11996	2.4
273.14835	50.5
274.13354	1.8
275.14481	4.7
275.17911	3.7
277.15884	2.1
279.13980	1.4
281.15601	1.2
283.11276	1.3
284.15472	1.6
285.12866	1.6
285.16342	6.5
286.13657	1.6
286.16830	1.2
287.14301	5.0
287.17999	4.4
288.15027	3.4
289.14175	8.8
289.18988	1.3
291.17438	2.2
293.15451	1.5
293.18860	2.1
297.12759	2.5
298.13617	1.7
299.14441	1.8
299.17969	4.6
300.15210	1.3
301.15881	3.4
301.19489	2.3
303.17471	11.2
305.15262	1.4
305.18884	2.5
307.17148	1.1
312.15210	1.6
313.15897	4.8
314.16809	1.2
315.13947	1.5
315.17410	2.6
316.14694	1.2
317.15482	1.7
317.18915	8.1
319.16919	3.5
319.20389	1.7
321.18506	3.6
327.17438	5.7
329.19226	1.6
330.16348	1.4
331.16928	8.5
333.17657	3.5
335.20087	3.4
343.16815	1.6
345.18503	16.3
347.20071	2.4
349.18015	6.4
355.16971	3.5
359.19968	7.9
361.17932	4.4
361.21667	2.5
363.19531	8.1
365.21191	1.6
373.17896	9.3
375.19586	2.1
377.21066	13.5
379.18546	1.2
379.22745	2.3
381.20712	1.3
387.19547	7.8
389.21039	1.0
391.18927	7.1
393.20636	4.4
395.22171	4.4
405.20599	23.1
407.21918	2.4
423.21725	15.3
447.21539	1.3
455.24838	1.1
465.22913	5.0
483.24136	6.0
525.25085	2.5
543.25885	13.7
543.33960	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01878	7.1
55.05510	4.1
65.03934	1.1
67.05511	4.9
67.30489	0.8
69.03426	3.0
69.07062	5.1
71.54984	1.0
79.05495	14.8
81.03414	3.5
81.07053	5.2
83.04978	2.8
85.02903	2.1
85.06555	1.4
86.26817	0.9
91.05480	18.8
93.07040	18.4
95.04959	6.7
95.08602	4.4
97.28147	0.9
103.05463	3.9
105.03399	3.0
105.04512	1.7
105.07036	30.1
107.04276	0.8
107.04964	4.2
107.08594	13.4
109.06506	4.5
109.10146	1.6
115.05440	8.2
116.06213	1.1
117.07023	22.6
119.04946	2.3
119.08588	18.7
121.06535	5.8
121.10139	8.5
123.08060	2.5
128.06200	6.2
129.07010	8.3
130.07800	2.2
131.04936	4.3
131.08560	18.9
133.06491	18.6
133.10129	10.4
135.08057	16.0
137.09615	1.6
138.71423	0.9
141.06985	5.8
142.07791	10.2
143.04953	2.3
143.08563	22.7
144.09340	2.1
145.06503	12.4
145.10112	13.0
146.07224	1.0
147.08049	7.8
147.11703	2.2
149.06003	2.1
149.09616	26.1
149.13200	1.0
151.07559	3.2
153.07027	2.7
154.07777	2.5
155.06137	1.1
155.08553	13.4
156.09338	28.3
157.06511	1.5
157.10129	34.8
158.10919	1.0
159.04445	2.1
159.08061	11.6
159.11688	10.3
161.05975	10.8
161.09648	6.5
163.07591	3.3
163.11163	3.3
165.06982	4.1
165.09216	1.3
166.07797	2.2
167.08578	3.3
168.09357	4.1
169.10127	19.0
170.10919	20.6
171.08060	12.5
171.11687	100.0
172.08826	2.7
172.12398	2.2
173.09639	9.9
173.13179	5.1
175.07587	2.6
175.11195	3.1
177.09087	3.0
178.07666	1.1
179.07066	2.4
179.08569	5.0
180.09348	2.8
181.10146	6.0
182.10892	1.2
183.08141	5.8
183.11697	55.0
184.08841	4.0
184.12473	4.6
185.09715	10.0
185.13260	82.3
186.10376	2.1
187.07561	1.4
187.11177	6.6
187.14821	1.2
189.09090	2.0
189.12732	2.0
191.08643	2.3
192.09332	2.1
193.08643	1.3
193.10120	5.1
194.10825	1.6
195.08112	1.9
195.11671	9.0
196.08813	1.5
197.09637	10.9
197.13232	5.6
198.10423	7.5
199.07533	4.4
199.11189	12.0
199.90047	1.2
200.11938	3.2
201.09152	4.0
201.12688	6.9
202.07875	1.1
203.08493	1.5
203.10689	1.4
203.14235	1.0
204.09363	1.5
205.10147	2.7
205.12288	3.1
206.10864	3.3
207.11723	7.1
208.12498	2.3
209.09628	3.1
209.13298	5.9
211.11203	11.4
211.14848	2.2
213.09489	1.8
213.12741	68.3
215.08762	1.6
215.10596	4.5
215.14218	1.7
216.09241	1.6
217.08553	2.7
217.10185	3.9
217.12206	2.2
218.10944	2.0
219.11765	5.2
220.12453	2.3
221.09711	1.4
221.13264	7.4
222.10335	1.1
222.14116	1.2
223.11230	4.3
223.14847	3.2
224.11951	1.0
225.12761	2.9
227.10739	1.5
227.14330	1.5
229.10204	2.0
229.12166	8.0
230.10927	2.6
231.09834	5.6
231.11818	3.4
231.13901	3.8
232.12508	3.3
233.09509	1.3
233.13330	4.8
234.14035	2.6
235.11157	3.1
235.14835	3.2
236.12033	2.2
237.12778	3.6
237.16418	2.3
239.10886	1.5
239.14331	1.5
241.10132	1.3
241.12279	5.9
242.10936	1.3
243.11629	3.1
243.13812	29.1
244.12471	3.4
245.13280	4.8
245.15379	69.0
246.14073	2.9
247.11116	1.8
247.13208	3.7
247.15155	2.9
248.12013	2.6
249.12778	3.2
249.16388	2.7
251.14388	3.2
253.15862	1.3
255.11650	2.5
255.13956	1.7
256.12476	2.4
257.11661	3.4
257.13483	3.2
258.14044	3.3
259.11078	2.1
259.14999	6.2
260.12003	2.1
260.15610	3.4
261.12769	3.1
261.16583	2.5
262.17203	1.1
263.14276	3.2
265.12216	1.1
265.15915	1.8
267.13986	1.5
269.13309	2.1
270.14053	3.9
271.13300	3.6
271.15344	1.2
272.15634	1.8
273.11996	2.4
273.14835	50.5
274.13354	1.8
275.14481	4.7
275.17911	3.7
277.15884	2.1
279.13980	1.4
281.15601	1.2
283.11276	1.3
284.15472	1.6
285.12866	1.6
285.16342	6.5
286.13657	1.6
286.16830	1.2
287.14301	5.0
287.17999	4.4
288.15027	3.4
289.14175	8.8
289.18988	1.3
291.17438	2.2
293.15451	1.5
293.18860	2.1
297.12759	2.5
298.13617	1.7
299.14441	1.8
299.17969	4.6
300.15210	1.3
301.15881	3.4
301.19489	2.3
303.17471	11.2
305.15262	1.4
305.18884	2.5
307.17148	1.1
312.15210	1.6
313.15897	4.8
314.16809	1.2
315.13947	1.5
315.17410	2.6
316.14694	1.2
317.15482	1.7
317.18915	8.1
319.16919	3.5
319.20389	1.7
321.18506	3.6
327.17438	5.7
329.19226	1.6
330.16348	1.4
331.16928	8.5
333.17657	3.5
335.20087	3.4
343.16815	1.6
345.18503	16.3
347.20071	2.4
349.18015	6.4
355.16971	3.5
359.19968	7.9
361.17932	4.4
361.21667	2.5
363.19531	8.1
365.21191	1.6
373.17896	9.3
375.19586	2.1
377.21066	13.5
379.18546	1.2
379.22745	2.3
381.20712	1.3
387.19547	7.8
389.21039	1.0
391.18927	7.1
393.20636	4.4
395.22171	4.4
405.20599	23.1
407.21918	2.4
423.21725	15.3
447.21539	1.3
455.24838	1.1
465.22913	5.0
483.24136	6.0
525.25085	2.5
543.25885	13.7
543.33960	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
71.06063	0.5
71.06384	0.8
75.41718	0.4
75.52045	0.4
75.52465	0.4
77.59662	0.4
96.09452	0.5
100.82671	0.4
107.89015	0.5
121.21795	0.5
123.69570	0.5
228.45515	0.6
304.36026	0.5
307.16205	0.5
363.06912	1.4
381.07962	10.5
543.13257	100.0
544.13824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	1.6
57.03420	0.5
61.02921	0.6
69.03416	1.6
71.54591	0.5
72.08149	0.7
84.96033	0.4
85.02902	3.2
91.05459	0.3
97.02886	1.8
98.97585	6.4
99.04459	0.4
101.00901	1.0
105.03401	2.1
109.02845	0.6
110.97562	1.3
112.99130	4.2
113.00858	0.6
115.02454	0.8
116.98589	1.9
117.03465	0.5
119.01958	1.9
119.02671	0.4
119.04967	0.5
124.99136	0.4
127.02474	0.6
127.03922	1.3
128.98611	1.2
131.00175	3.5
131.01883	1.4
133.03468	2.0
143.00172	1.5
143.01930	1.6
145.01700	0.8
145.03458	1.5
145.04971	1.2
146.08125	0.5
146.99673	0.4
147.04282	2.5
149.01233	1.1
154.27818	0.4
155.01912	1.6
157.01675	0.6
157.03464	1.8
158.99669	2.6
159.05054	0.6
161.01234	1.3
161.02951	1.4
163.02754	0.8
163.03960	0.4
165.00732	0.4
166.01213	0.4
167.01962	0.4
169.03410	0.5
170.99683	1.1
171.05037	1.9
173.01448	2.4
173.02803	2.6
175.02791	0.8
175.04561	0.9
177.00710	1.5
177.05426	1.9
178.04968	0.7
179.02106	0.7
181.03503	0.7
181.07901	0.7
183.05019	0.8
185.01198	0.9
185.02960	1.4
187.02783	1.1
187.04439	0.8
189.00717	1.1
189.06076	0.6
191.02272	2.1
193.03775	1.6
193.05475	0.6
199.02730	0.5
199.04425	0.7
201.00734	1.2
201.06058	0.6
203.02258	1.5
203.04114	1.3
205.03687	0.4
207.01929	0.4
207.07089	0.6
211.04689	0.7
211.06587	0.3
217.02025	0.8
219.01767	3.2
219.07225	1.4
221.05075	1.4
223.04698	1.2
225.06229	0.5
231.07170	1.4
232.03438	0.7
233.03412	0.9
237.02776	3.4
245.05157	3.0
247.02873	0.6
247.04982	1.4
249.08299	0.8
259.06708	1.1
261.02762	0.7
261.08282	1.0
265.07306	0.4
270.16272	0.4
273.08176	1.1
279.03867	1.1
281.05359	0.7
291.09265	1.0
295.06851	0.7
296.32574	0.4
319.09137	0.6
321.04666	0.7
321.10358	6.7
337.07950	4.2
351.11249	3.1
355.09058	1.9
363.06674	2.6
365.08051	0.5
381.07874	12.1
393.06610	0.5
398.06067	0.4
423.08142	0.8
451.07297	0.5
479.07635	0.6
511.09634	0.7
543.13208	100.0
544.13611	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3848
Annotation	Acutifolin palmitate
Peak:m/z	Relative Intensity
53.03963	0.5
55.01884	0.4
55.05515	4.1
57.07079	0.9
58.06605	27.3
60.04526	1.9
65.03961	0.4
67.05511	2.4
69.03432	0.7
69.07080	1.9
71.55299	0.4
72.08153	1.3
79.05484	2.4
81.03412	0.7
81.07066	4.3
83.04987	25.5
83.08617	1.1
84.08144	0.6
88.07635	0.6
91.05478	2.2
93.07056	5.6
95.04987	0.7
95.08620	5.4
96.08140	1.4
97.06535	1.6
97.10162	0.9
100.07632	6.9
105.07034	3.8
107.04981	0.4
107.08617	3.9
109.10159	3.4
110.09705	2.7
111.08094	3.7
113.09612	0.4
114.09181	3.0
116.96503	0.3
117.07010	1.4
119.08588	4.4
121.06525	0.4
121.10159	3.5
123.08096	1.4
123.11727	1.6
125.09668	0.9
128.10768	0.4
131.08600	2.1
133.10150	3.8
135.08052	0.7
135.11717	1.5
137.09642	1.1
139.07607	0.5
139.11203	1.0
141.07094	0.4
143.08589	1.5
145.10121	3.6
147.11685	2.7
149.09645	0.7
149.13245	1.0
151.11194	0.8
152.10715	0.6
153.12746	0.5
155.08612	0.6
156.10281	0.9
157.10150	1.5
159.11719	4.2
161.09602	0.6
161.13271	1.6
163.14848	0.4
165.12781	1.0
165.55540	0.3
169.10193	1.1
169.32724	0.3
170.11804	0.6
171.11668	1.8
173.13261	3.2
175.11186	0.5
175.14822	1.3
177.05550	0.4
177.12802	0.7
178.05859	0.5
179.14307	0.7
183.11711	1.6
185.13289	2.3
187.14836	2.3
189.12776	0.7
189.16507	0.5
195.11752	0.9
197.13300	1.1
199.14868	1.4
201.12828	0.7
201.16460	1.1
203.14255	0.4
205.15887	0.6
209.13313	0.7
211.14876	1.2
213.16437	1.0
214.43210	0.4
215.17978	0.6
217.15891	0.6
223.14900	0.5
225.16432	0.9
227.18015	1.2
229.15991	0.4
237.16460	0.7
239.18054	0.9
243.17589	0.7
245.18976	2.1
251.18024	0.4
253.19502	0.6
255.21138	0.5
257.19125	1.0
267.21002	0.4
271.20654	0.8
297.22150	0.8
307.24268	0.8
311.23831	1.3
313.25116	0.4
323.23706	0.5
325.25412	1.6
337.24908	0.4
349.25354	0.6
351.26932	0.5
397.27405	0.6
405.31616	1.0
422.34210	1.2
423.32916	0.6
426.49448	0.4
433.31424	0.4
440.35513	0.5
450.33780	1.2
451.32129	11.8
464.35507	0.6
468.34723	0.8
482.36255	1.6
483.34741	0.4
510.35886	1.6
524.37512	0.9
542.38458	100.0
543.38379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
68.22061	0.7
69.03429	1.5
69.47099	1.9
69.47521	2.7
70.06585	2.3
71.04982	1.1
72.08157	0.9
79.05495	1.4
80.25728	0.7
81.03401	0.8
81.07047	1.8
85.02915	4.6
86.09718	0.9
91.05481	2.7
93.07042	1.5
94.04213	1.3
94.11110	0.5
95.08601	1.1
97.02894	1.9
98.06052	2.7
100.07623	1.8
103.05450	4.1
105.07046	3.7
107.04936	1.9
109.02878	0.7
109.06550	1.4
117.07038	0.9
121.06513	2.9
122.03635	4.8
127.03987	0.8
128.06226	0.8
131.04932	7.8
133.06499	16.2
135.08080	5.3
136.06174	0.8
137.05981	100.0
138.09093	1.2
143.08543	1.2
145.04985	0.9
145.06482	4.5
147.08015	1.9
149.06001	1.6
151.07549	6.4
157.06522	1.7
161.06061	1.0
163.07545	32.2
168.43021	0.7
171.08002	2.5
174.06787	1.1
175.07562	2.8
177.09167	1.2
187.07565	0.8
189.09058	3.6
193.08719	0.9
203.10695	5.4
211.09726	0.9
221.11806	0.7
235.11255	1.4
245.09543	1.0
263.10696	2.0
288.15961	0.7
295.13287	17.3
303.31097	0.6
327.15894	33.4
345.16931	3.3
542.25659	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.2
55.05506	4.1
56.60289	1.4
57.07077	1.8
57.19834	1.5
67.05496	10.2
69.03411	2.9
69.07062	4.6
70.13032	3.8
70.13445	5.1
79.05499	15.9
81.03419	3.2
81.06584	3.0
81.07063	51.1
83.04950	3.1
83.08600	2.5
88.09115	1.4
91.05484	13.7
93.07056	12.2
95.04984	3.8
95.08616	7.1
103.05479	1.5
105.03400	6.8
105.07030	17.7
107.04947	2.0
107.08582	10.1
109.06522	19.3
109.10184	2.8
111.08065	2.8
115.05447	3.0
117.07026	8.5
119.08582	18.2
121.06525	2.7
121.10139	6.3
123.08086	1.6
128.06259	2.3
129.07019	4.4
130.07750	2.3
131.08598	10.1
133.10144	13.7
134.10497	1.8
135.08041	6.8
135.11761	2.4
142.07747	3.1
143.08575	9.2
145.06537	1.6
145.10126	13.0
147.08057	6.2
147.11682	5.2
149.09630	5.5
155.08553	5.9
156.09305	4.0
157.10167	10.8
158.07292	1.9
158.10681	1.8
159.08051	2.0
159.11720	9.3
161.09644	4.1
161.13269	7.0
163.11133	2.3
167.08607	2.9
169.10136	5.9
170.10878	4.5
171.11690	9.8
172.12093	1.9
173.09622	9.3
173.13269	5.1
174.09944	2.3
175.11176	4.1
179.08598	1.8
179.10670	2.3
181.10046	3.5
181.45219	1.5
182.10823	1.8
183.11696	6.5
185.09644	3.1
185.13300	12.8
186.13580	2.2
187.11159	6.2
187.14867	1.8
189.12737	3.5
193.10196	1.7
193.12140	1.8
194.10823	2.4
194.54866	1.7
195.11703	6.4
196.12476	2.6
197.09595	2.3
197.13316	9.2
199.11195	6.9
199.14832	5.2
200.11679	2.5
201.12752	8.9
207.11656	3.9
209.09651	1.7
209.13245	5.6
210.14001	2.6
211.11188	2.1
211.14809	3.7
213.12788	18.1
213.16322	4.0
214.13148	15.5
215.14388	11.3
216.75813	1.6
217.10051	2.6
221.13246	4.3
223.11180	1.8
223.14790	3.6
225.12859	2.6
225.16254	1.9
227.14320	3.6
235.14771	3.9
237.16313	1.8
239.14203	4.1
239.17859	2.1
241.12216	3.8
241.15846	8.1
242.12544	4.1
249.12549	2.1
249.16455	3.1
251.14180	2.5
255.17386	3.6
257.18988	2.8
263.14261	1.9
263.18109	2.1
265.15927	2.2
267.17465	4.8
274.15186	2.7
277.15698	1.8
277.19208	2.2
279.21246	1.8
283.16971	3.1
284.17712	3.3
285.18524	8.9
291.17435	2.2
305.19025	3.5
307.20541	4.6
317.19009	3.0
319.24066	2.7
333.22220	2.8
335.20020	8.4
347.19873	2.1
347.23740	7.4
349.21469	4.6
365.24796	12.8
375.23236	17.0
388.19843	3.7
393.24261	100.0
402.21591	2.8
407.25751	4.7
420.22501	6.0
447.28940	4.5
465.30072	9.6
469.18564	1.9
471.11285	2.0
505.82712	1.8
542.21008	3.7
542.35132	4.6
543.36719	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	542.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27383	0.2
53.03958	0.2
56.96565	0.3
57.03436	0.3
61.02928	0.3
69.03432	0.8
69.95593	0.4
69.96000	0.7
73.02933	0.4
77.03927	0.4
79.05494	0.8
81.03401	0.3
84.65590	0.2
85.02906	2.2
86.03214	0.2
86.09721	0.3
89.03899	0.2
91.05470	1.2
93.07038	1.0
95.04990	0.5
97.02896	1.0
97.06518	0.3
98.97563	1.1
103.05464	6.4
107.04975	1.9
110.97564	0.4
119.04939	1.8
120.08106	100.0
121.06467	0.3
121.08438	0.5
125.75976	0.2
127.03899	0.6
131.04924	2.7
135.04401	0.6
136.06201	0.6
137.05983	1.4
145.02861	0.4
145.04980	0.7
147.04402	2.8
149.05965	2.4
151.07542	0.4
157.08507	0.3
158.99675	0.3
163.03934	0.8
166.08640	51.2
167.07036	1.5
177.05678	0.3
179.07039	3.2
202.04939	0.3
213.04356	0.4
219.01797	1.0
237.02731	0.8
273.06430	0.2
291.07880	0.2
311.11395	0.4
348.09711	0.6
351.09940	0.3
352.10861	0.3
372.10440	0.6
375.09915	0.4
393.10748	0.3
396.11633	0.6
426.08017	0.2
542.11859	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.7
54.10653	2.5
55.01668	2.4
55.01878	31.4
55.05302	2.5
55.05518	28.8
57.03440	3.6
58.46323	2.2
65.03941	4.2
65.93118	2.5
67.05510	20.5
69.03429	10.4
69.07077	9.1
71.04993	4.3
71.55159	2.8
75.43977	2.6
77.03925	2.6
79.05056	3.9
79.05502	47.0
81.03423	48.9
81.07062	22.7
83.04994	25.1
83.08612	6.2
85.06514	2.8
89.33740	2.2
89.50426	2.1
91.05485	66.7
93.07052	23.7
94.16282	2.4
95.01347	3.0
95.04987	31.2
95.08606	15.5
95.45782	2.3
97.06553	5.0
97.10213	2.8
103.05479	4.9
105.03410	5.7
105.04454	2.7
105.06400	2.9
105.07045	43.9
107.04969	40.5
107.08612	21.1
109.06516	9.3
109.10181	8.1
111.08076	3.1
115.05453	14.3
116.06269	5.9
117.07040	32.2
119.04971	3.8
119.08588	67.8
121.06488	11.6
121.10136	8.1
121.76279	2.2
123.08050	6.8
125.09643	4.5
128.06233	10.6
129.07022	46.0
131.04921	5.8
131.08577	43.6
132.05676	3.5
133.06506	8.5
133.10144	35.7
135.08075	14.4
135.11679	5.9
137.06032	3.2
137.09674	3.4
141.07014	11.8
142.07805	14.3
142.39053	2.2
143.08572	32.2
144.05721	3.2
144.09335	5.7
145.06493	29.9
145.10133	24.6
146.07295	3.9
147.08054	100.0
147.11685	9.9
149.09641	60.9
150.37106	2.4
152.06248	2.7
153.06976	4.1
154.69371	2.4
155.08545	13.3
156.09340	13.3
157.06471	2.2
157.10152	54.8
158.10880	3.1
159.08067	93.4
159.11688	42.9
161.06027	3.7
161.09636	54.9
161.10928	3.5
161.13268	4.6
163.07587	10.9
163.11229	5.5
165.07005	4.1
166.07816	3.5
167.08609	8.5
168.09344	3.5
169.06461	3.9
169.10127	25.6
170.10883	6.8
171.08061	9.4
171.11691	58.1
172.08842	2.8
173.06033	8.4
173.09636	24.6
173.13304	18.1
175.07558	28.1
175.11241	8.9
177.09178	6.0
179.08620	4.0
179.10648	2.6
180.09380	4.2
181.10150	10.1
182.10939	5.2
183.08075	7.9
183.11717	34.0
184.08896	4.5
185.09599	15.8
185.13315	19.4
187.07570	8.3
187.11197	10.4
189.09149	5.2
189.12755	2.7
191.10709	7.5
192.09346	2.9
193.10202	6.6
193.12305	9.3
194.11076	3.7
195.08089	3.1
195.11671	12.4
197.09607	12.6
197.13246	11.1
198.13930	3.2
199.07663	3.6
199.11197	22.0
200.11954	2.8
201.09229	6.5
201.12793	11.0
203.08717	3.1
203.10646	5.6
203.14346	4.7
205.10139	3.1
206.10942	5.6
207.11708	11.9
209.09657	4.8
209.13278	10.2
210.10449	4.0
211.11275	15.3
211.14853	6.3
213.09108	5.5
213.12740	13.7
215.10707	10.0
215.14354	2.5
217.08517	3.2
217.10355	4.7
217.12190	14.9
218.10876	3.4
219.11804	5.1
219.13701	3.0
220.12419	5.5
221.09766	3.1
221.13293	9.9
223.11185	8.2
223.14824	7.0
224.11897	2.7
225.09184	4.8
225.12799	32.7
227.10725	9.1
229.10298	2.9
229.12308	9.8
231.09943	2.9
231.11887	4.0
231.13731	14.6
232.12639	3.2
233.13301	5.8
233.15489	10.3
235.11217	5.3
235.14839	5.0
236.11981	2.9
237.12776	9.1
237.16306	3.0
239.10773	3.4
239.14432	4.5
241.12296	6.1
243.11665	5.6
243.13892	7.1
245.11620	4.4
246.10600	3.0
247.11153	4.4
247.14973	4.5
249.12756	7.5
251.14349	7.4
253.12384	3.3
255.13831	4.2
257.13251	3.6
258.13876	2.8
259.13419	8.1
260.12070	3.8
261.12640	5.2
261.14893	3.3
263.14319	6.5
265.15918	6.9
269.09741	2.5
272.12268	3.3
273.12817	4.5
274.13336	2.8
275.14551	5.1
275.20114	10.5
276.15094	2.9
277.14551	4.9
279.13864	3.8
281.15613	3.6
284.15619	3.5
286.13770	2.5
287.14294	5.7
287.17764	3.7
289.15894	5.9
293.15503	5.6
297.12802	4.4
300.15149	7.2
301.16046	3.3
303.17502	3.0
313.15851	4.1
314.32553	2.5
315.17648	13.3
317.15494	5.1
317.18839	3.6
329.18976	8.5
331.17010	3.1
333.15082	3.3
333.18530	20.8
335.16608	8.2
343.16946	9.2
347.20026	16.1
357.18460	9.8
359.20087	4.2
361.18030	9.2
363.19458	3.9
375.19629	31.7
375.23978	4.4
377.21234	6.1
385.18115	3.2
387.19617	7.3
389.21167	13.3
391.22778	5.0
393.20493	3.6
403.18851	12.6
405.20578	25.5
407.22275	38.6
417.20560	24.2
423.21735	20.8
425.23163	12.5
435.16348	3.7
435.21750	45.9
441.22693	9.3
443.27997	5.3
449.30521	4.5
453.22821	23.6
467.31741	4.4
523.26483	8.2
523.33942	4.5
541.27106	10.8
541.35175	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.2
55.01866	8.2
55.05516	36.6
57.26155	3.1
58.62735	3.2
62.00642	3.2
67.05509	19.3
68.06359	3.1
69.03428	7.1
69.07053	10.2
69.98827	11.1
69.99238	6.3
71.05011	4.4
79.05502	18.7
81.03403	14.4
81.07058	21.4
83.04986	59.7
85.02884	7.1
85.06562	4.6
91.05471	37.0
93.07050	26.2
95.04965	24.6
95.08595	21.2
95.55965	3.0
97.02881	10.5
97.06515	11.1
97.47739	3.0
103.05458	7.0
105.03386	4.6
105.07033	45.6
107.04949	7.0
107.08582	17.8
109.02847	5.4
109.06497	11.0
109.10138	10.1
111.04439	5.2
115.05459	4.5
117.07028	18.9
119.08576	47.9
121.02847	4.7
121.06510	5.8
121.10109	16.2
123.04428	5.8
123.08105	8.0
125.02392	3.4
127.03905	4.2
128.06189	8.7
129.06996	14.5
131.04901	7.0
131.08566	20.2
133.06497	16.7
133.10139	29.4
135.08011	11.2
135.11652	4.1
137.06001	3.7
137.09619	6.1
139.03882	12.0
139.07533	3.4
139.08798	3.2
141.06992	7.6
142.07709	6.7
143.08554	18.7
145.06499	13.0
145.10098	26.5
147.08055	18.2
147.11772	4.4
149.05995	7.4
149.09625	7.2
153.06953	7.1
154.07878	3.6
155.08545	14.2
156.09354	13.8
157.06519	3.5
157.10159	27.7
158.07385	3.4
159.08073	16.9
159.11665	14.8
161.05962	14.8
161.09608	18.3
163.07504	8.3
163.11171	3.7
165.07007	10.8
167.08569	6.0
167.10724	4.0
169.10156	21.8
170.10904	4.9
171.08022	12.1
171.11688	29.5
173.09583	13.2
173.13187	5.4
175.07510	7.3
175.11243	6.5
177.09059	7.7
179.08546	10.9
179.10675	5.0
180.09396	6.9
181.10129	18.7
182.10986	4.6
183.08054	8.1
183.11719	26.1
185.09581	14.3
185.13281	15.8
187.07568	5.8
187.11174	8.0
189.09094	4.5
191.08554	4.1
192.09340	8.2
193.10182	18.3
194.10910	6.7
195.08093	5.6
195.11678	21.3
196.08963	4.5
196.12370	3.9
197.09602	15.0
197.13235	10.8
199.11197	22.0
201.08992	4.6
201.12692	7.0
203.08583	5.2
204.09315	5.3
205.10118	10.8
206.10907	10.3
207.11656	22.7
208.12416	7.7
209.09650	8.6
209.13246	14.8
211.11234	7.9
211.14725	4.0
213.09105	5.1
213.12753	13.6
215.08673	4.9
215.10643	6.6
217.10204	5.4
217.12155	4.8
218.10828	4.9
219.11656	13.2
220.12401	10.1
221.09633	6.0
221.13290	22.4
222.13991	6.5
223.11253	9.4
223.14828	13.6
225.09149	5.9
225.12711	7.0
227.10670	9.1
228.98874	3.6
229.10159	5.8
229.12207	6.7
230.10799	6.2
231.11681	11.7
231.13771	6.3
232.12482	8.1
233.09787	3.9
233.13232	16.7
234.10463	4.2
234.13995	8.9
235.11160	5.0
235.14748	16.6
236.11995	4.6
236.15567	3.6
237.12711	9.5
237.16298	16.3
239.10654	4.4
239.14261	3.7
241.12273	4.4
242.10762	4.8
243.11826	5.5
244.12462	7.8
245.13257	11.1
246.14070	6.6
247.11168	10.4
247.14777	12.1
248.12042	6.6
248.15450	5.1
249.12793	10.5
249.16385	13.4
250.13554	4.1
251.14310	17.7
253.15897	6.3
254.10797	4.1
255.11876	5.7
256.08957	4.0
256.12308	5.7
257.13239	10.0
258.13965	5.6
259.11111	8.2
259.14819	11.1
260.15759	5.2
261.12766	10.1
261.16360	8.6
262.13568	4.5
263.14252	13.8
265.15863	8.2
267.17435	10.6
269.13251	6.7
270.14084	4.8
271.14709	10.5
273.11237	11.7
273.16400	5.0
274.17358	4.3
275.17535	4.3
275.20142	9.1
277.15851	13.3
278.16788	6.3
279.13916	5.0
283.14786	4.7
285.16425	4.6
286.13498	4.7
286.17184	4.9
287.14316	7.2
287.17767	8.3
289.12332	5.8
289.15826	5.7
291.17291	6.5
293.21088	4.3
295.17197	5.4
297.16370	6.6
298.13388	4.1
299.14148	4.4
303.13928	4.3
303.17371	7.8
304.18161	4.2
305.15271	8.5
311.13858	5.3
313.12219	4.7
313.15979	6.4
317.15442	4.4
319.16898	6.7
321.18512	5.6
327.13635	5.5
328.14697	4.8
329.15186	7.5
331.16763	5.5
331.20541	4.7
341.18875	6.7
343.16904	10.4
345.14841	8.1
345.18436	7.1
346.15393	3.7
347.16431	14.9
347.20090	5.1
349.17871	4.0
357.18359	17.0
359.16190	4.1
359.20078	17.1
361.17841	12.6
363.19421	10.4
369.18427	13.6
375.19598	30.8
377.21161	20.3
379.19055	5.5
387.19498	73.0
393.20468	11.9
395.22067	4.1
405.20593	100.0
421.20035	11.5
423.21603	98.5
441.22644	20.2
453.18750	4.6
455.22424	6.6
523.27020	9.3
541.20996	7.2
541.27655	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.1
55.01869	26.7
55.05508	15.5
64.59597	2.5
65.03929	3.0
67.05506	26.0
69.03426	7.2
69.07092	14.4
71.04960	3.2
79.05492	52.6
81.03420	71.2
81.07064	40.1
83.04964	11.7
83.08619	8.5
91.05483	75.8
91.83387	2.4
93.07036	23.4
95.01318	8.5
95.04973	38.1
95.08607	24.4
97.06534	8.8
97.10201	4.2
103.05489	7.0
104.65140	2.5
105.03388	6.1
105.07034	59.1
107.04966	38.6
107.08614	18.8
109.06524	15.4
109.10159	11.0
115.05437	10.1
116.06234	4.5
117.07020	23.4
119.04922	5.6
119.08588	75.3
121.02824	2.7
121.06504	10.9
121.10112	12.5
122.29963	2.6
123.08086	6.0
128.06232	12.2
129.06993	39.6
130.07820	4.4
131.04910	4.9
131.08571	55.9
132.05734	2.9
133.06490	8.8
133.10136	39.7
135.08041	16.1
135.11644	5.4
141.06990	8.8
142.07782	9.6
143.08580	25.7
144.05750	3.3
144.09320	4.5
145.06487	25.1
145.10123	34.5
147.08051	84.8
147.11682	10.8
149.09615	62.1
149.13281	3.2
151.11153	3.0
155.08543	14.0
156.09364	11.4
157.10120	56.8
159.08063	100.0
159.11691	64.9
161.05963	3.7
161.09625	46.6
161.13217	4.3
163.11209	5.1
165.07002	4.8
166.07652	3.6
167.08505	5.8
169.10118	32.8
170.10773	3.0
171.08128	5.2
171.11710	44.6
173.05975	6.6
173.09660	19.1
173.13277	19.5
175.07568	29.2
175.11148	7.6
177.09113	5.9
179.08624	7.1
179.14331	7.7
181.10146	14.6
183.08051	5.0
183.11711	36.2
185.09622	10.9
185.13266	10.2
187.11218	17.0
187.14786	3.1
189.09068	6.5
191.10681	9.1
193.10155	11.4
193.12283	12.2
193.28436	2.7
195.08081	4.1
195.11722	9.7
197.09595	16.3
197.13277	12.9
199.11148	16.9
199.14799	4.9
201.09125	5.3
201.12727	13.9
205.10204	3.8
205.12305	3.2
206.10905	5.6
207.11717	12.3
208.12500	6.4
209.09685	6.2
209.13269	11.3
210.10394	6.1
211.07808	2.8
211.11203	10.1
211.14830	4.0
213.09048	5.1
213.12711	10.1
213.16302	3.4
215.10695	9.7
217.12267	10.8
219.11678	4.2
219.13780	5.9
220.12466	4.8
221.13365	13.5
223.11122	9.9
223.14801	7.6
225.09143	3.9
225.12775	27.5
227.10730	5.9
229.12222	16.3
231.11681	6.7
231.13844	7.4
232.12434	6.0
233.13252	6.8
233.15381	13.0
234.14069	3.4
235.11162	6.8
235.14836	9.2
236.12025	4.5
237.12802	8.2
237.16261	5.9
239.14278	7.9
241.12177	4.0
241.15794	3.8
243.13831	6.3
244.12561	3.1
245.13347	5.0
245.15460	4.0
246.14011	5.9
247.11023	3.8
248.11879	3.2
249.12747	6.4
251.14282	7.0
253.15862	3.4
255.13940	3.2
257.19144	3.2
261.12485	4.3
261.16425	10.0
263.14246	8.1
265.15826	5.7
275.14514	5.4
275.17722	3.5
275.20169	29.1
279.13950	2.9
285.12668	4.1
287.14398	3.9
289.15817	5.5
293.21243	3.3
299.16705	5.7
300.15045	3.3
303.17529	5.4
305.18927	3.7
313.12326	3.7
315.17441	19.0
317.15323	4.0
317.18829	6.4
326.90381	3.0
327.17200	2.9
329.18832	5.1
331.16956	4.7
333.18469	23.9
335.16425	8.0
335.20062	3.7
338.28580	3.3
343.16821	6.6
347.19974	15.6
357.18423	11.1
361.18146	8.0
367.18878	8.0
375.19525	26.5
385.17917	7.9
389.21191	16.0
391.22916	7.5
403.19128	13.7
407.22202	44.8
409.24106	3.4
417.20514	22.4
425.23123	11.2
431.29062	3.3
435.21637	52.1
448.09882	3.0
453.22690	25.8
467.31625	3.4
469.25793	19.3
523.27124	4.8
541.27356	8.1
541.35071	59.9
565.90118	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	541.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.05500	1.5
56.96571	1.2
57.03438	1.5
59.70073	0.5
59.76241	0.4
59.95479	0.5
60.04533	56.2
61.02930	1.5
61.82441	0.5
62.41422	0.6
69.03442	5.1
69.07077	1.4
69.83302	2.7
70.06621	0.6
71.04999	0.6
72.08138	1.0
73.02909	1.5
76.02224	1.1
79.05497	1.0
81.03443	1.2
83.05032	0.5
84.96027	0.8
85.02917	9.6
86.09715	43.9
87.04465	0.8
87.05620	2.7
89.03891	0.7
91.03967	0.6
91.05463	0.6
97.02914	3.5
97.06559	3.7
98.20769	0.5
98.97597	5.6
99.04443	1.1
103.03924	1.5
107.04956	0.7
109.02924	0.9
110.97575	1.8
112.99203	0.7
116.98607	1.9
117.03394	1.1
119.04957	0.7
120.08134	3.7
125.06009	5.8
126.06369	0.9
126.84847	0.6
127.03957	2.6
128.04312	0.6
128.10733	1.7
128.98671	0.7
132.10222	42.1
133.86310	0.5
137.05986	1.5
143.00172	1.1
143.07065	2.3
145.02905	1.4
145.04938	2.4
147.03244	0.8
147.04395	1.8
151.03784	0.6
155.04727	0.7
158.99667	2.5
159.04823	1.0
159.55043	0.6
161.08183	2.8
162.02272	0.6
162.08437	0.6
163.02737	0.8
163.03987	0.7
166.06282	0.6
166.08632	2.4
173.01247	0.7
173.08090	0.6
173.12877	25.2
177.00740	1.4
177.05534	2.7
179.04828	0.7
181.04930	1.7
190.04976	3.2
193.04408	0.7
194.83304	0.6
196.06805	1.0
196.57013	0.9
201.00696	1.6
201.04327	1.1
201.12376	7.2
217.03839	0.7
218.06241	1.9
218.08215	0.7
218.56442	1.3
219.01781	5.9
219.13425	100.0
237.02858	5.8
265.06464	0.9
274.07220	0.8
274.57309	2.0
275.07486	0.7
289.05701	0.8
298.57953	0.8
298.60376	0.7
299.08118	1.5
299.58972	0.9
309.08478	1.3
310.08981	0.6
319.07095	4.0
333.08676	0.8
335.09796	0.6
337.08112	2.2
342.10828	0.8
342.60568	1.0
345.10193	1.6
345.60559	1.2
348.11371	0.7
348.62729	0.6
351.09491	0.9
352.10391	0.5
365.90491	0.6
375.09875	0.7
379.12570	1.1
379.63000	2.5
380.11417	2.0
408.11969	0.6
435.11594	0.8
436.12283	0.8
460.13562	0.6
541.11523	1.3
541.20367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.7
55.01854	8.5
55.05519	31.9
67.05525	14.5
69.03426	5.7
69.07056	7.6
71.55463	3.1
79.05495	22.8
81.03393	9.2
81.07053	14.4
83.04553	3.0
83.04991	38.0
83.08586	3.6
88.47987	2.6
91.05484	60.9
93.07049	26.1
95.04977	13.5
95.08582	10.4
97.06501	5.5
103.05457	11.2
105.03363	3.7
105.06390	4.5
105.07043	51.7
106.56892	2.9
107.04913	9.3
107.08600	25.7
109.06508	7.8
109.10157	4.1
109.11971	3.0
115.05453	31.9
116.06227	2.9
117.07026	48.8
119.04942	3.8
119.08581	72.4
121.06505	13.2
121.10145	16.1
123.08061	4.0
128.06236	20.8
129.07024	27.9
130.07762	7.0
131.08574	52.3
133.06508	23.0
133.10144	65.4
135.08070	16.8
135.11566	2.8
137.05942	4.3
137.09650	3.1
141.06952	17.5
142.07770	22.3
143.04919	2.9
143.08554	41.2
144.09314	4.9
145.06505	28.4
145.10127	31.8
147.08057	55.0
147.11662	7.5
149.05931	7.4
149.09665	13.1
152.06207	2.7
153.06975	7.4
154.07745	7.3
155.08569	20.2
156.09334	38.7
157.06462	6.9
157.10132	57.5
158.07301	5.0
159.08078	36.9
159.10454	2.9
159.11728	36.5
161.06000	15.8
161.09613	27.9
161.13330	3.1
163.06302	3.7
163.07555	51.9
165.05704	3.2
165.06963	13.7
166.07806	6.4
167.08560	13.9
168.09338	7.3
169.06458	3.7
169.10123	39.9
170.10915	22.3
171.08069	17.3
171.11703	95.7
172.08778	4.4
172.12473	3.9
173.05956	4.2
173.09651	26.6
173.13290	13.5
175.07613	13.8
175.11197	8.0
177.05562	3.8
177.09077	17.4
178.07898	2.5
179.07069	3.0
179.08551	12.2
179.10696	7.2
180.09312	5.1
181.10100	15.8
182.07214	4.6
182.10841	3.5
183.08118	14.5
183.11710	61.0
184.08846	6.6
184.12508	3.6
185.06013	3.2
185.09639	20.4
185.13261	49.0
187.07510	9.5
187.11201	19.4
187.14836	7.1
188.15497	2.7
189.05508	31.9
189.09100	9.5
189.12787	7.0
191.07018	5.8
191.10596	5.4
192.09290	9.3
193.10123	14.7
194.10960	6.2
195.08049	9.2
195.11711	18.9
196.08871	3.8
197.09612	18.9
197.13229	15.9
198.10350	5.1
198.13992	4.8
199.11160	38.0
200.11955	6.4
201.09143	15.9
201.12726	5.8
203.06927	9.1
203.08583	5.5
203.10556	5.2
204.09277	3.5
205.08521	4.0
205.10204	5.4
206.10904	9.0
207.08208	3.8
207.11665	22.7
208.12466	5.2
209.09605	9.1
209.13261	11.9
210.10362	3.4
211.07494	4.6
211.11140	15.7
211.14810	3.2
213.09283	15.2
213.12756	37.6
215.06891	5.3
215.08771	5.7
215.10532	16.5
215.14186	6.3
216.09393	5.8
217.08347	5.3
217.10114	8.6
217.12215	11.7
218.10887	8.1
219.09885	3.3
219.11664	9.7
219.13600	4.4
220.12517	8.0
221.13234	22.0
222.10542	3.8
222.14041	2.8
223.07663	3.8
223.11180	11.2
223.14819	4.6
225.09087	10.2
225.12740	12.0
227.10654	7.7
229.08331	3.7
229.10277	5.4
229.12257	12.2
230.10916	11.0
231.11682	11.7
231.13776	46.8
232.12463	8.4
233.09666	4.5
233.13226	12.1
234.13986	6.7
235.11253	7.9
235.14803	8.2
237.12793	8.4
239.10698	7.7
240.09537	3.8
241.08339	4.3
241.10295	4.8
241.12245	13.2
242.10954	4.3
243.09819	6.6
243.11745	10.5
243.13857	4.3
244.12463	10.4
245.13660	12.9
246.13986	5.0
247.11166	8.8
247.14915	4.8
248.11957	5.0
249.12733	8.0
249.14906	3.7
250.13443	3.3
251.14453	5.9
253.10013	3.2
253.12234	4.1
254.11009	5.2
255.11757	9.6
256.12515	9.7
257.13470	14.5
258.10355	4.1
258.14066	7.5
259.11053	7.5
259.13156	8.2
259.15155	5.1
260.11804	3.8
260.15765	3.8
261.12741	7.0
261.16489	6.5
263.10580	4.0
263.14291	6.6
265.12253	6.6
266.10480	2.8
267.11523	5.3
267.13998	5.9
268.12381	4.3
269.08002	24.5
269.13156	10.6
270.14014	11.2
271.11148	5.8
271.14697	13.0
272.11954	3.8
272.15546	5.9
273.12610	8.1
274.13379	5.4
275.14276	5.4
275.17740	4.0
277.12057	3.4
281.13202	6.4
282.14026	8.3
283.11191	4.1
283.14728	8.1
284.15680	5.3
285.12781	10.7
285.16324	8.7
286.13504	6.6
286.16888	4.6
287.10568	3.4
287.14435	6.4
287.17734	3.7
288.14844	3.0
289.12299	6.1
289.15659	4.5
291.13785	8.1
296.15512	5.9
297.12640	4.9
297.16281	6.2
298.13580	7.3
299.14264	10.6
299.17508	4.2
300.15015	4.2
301.12317	7.0
301.15897	8.7
302.12949	3.9
303.13724	9.5
303.17194	3.7
305.11758	5.9
305.15292	4.1
307.13684	3.5
311.14212	6.3
311.17767	5.7
312.15237	3.1
313.12231	5.8
313.15878	10.0
315.13602	7.6
315.17410	9.1
316.14536	3.4
317.11923	4.3
317.15390	8.0
317.18887	3.8
319.13464	5.2
319.16864	7.8
325.12292	5.4
327.13699	9.4
327.17212	6.1
328.14584	3.5
329.11826	4.9
329.15277	10.4
329.18857	5.9
331.13330	6.4
331.16934	33.0
333.15030	5.5
333.18454	18.9
339.17551	6.5
340.14658	4.3
342.16022	8.0
343.13205	5.1
343.16925	24.0
344.13809	5.0
345.14798	11.4
345.18414	12.8
347.16345	10.6
347.20056	11.2
349.17978	5.2
355.13040	3.7
355.17004	6.5
356.14044	4.4
357.14755	5.5
357.18567	36.8
359.16174	12.7
359.20035	9.4
360.17291	5.1
361.17966	21.4
363.15707	4.1
363.19751	4.7
365.17386	3.6
367.16675	4.8
370.15781	4.2
373.18024	56.6
375.15750	2.8
375.19583	48.3
377.17218	13.6
377.21082	5.8
385.17938	44.8
387.19647	5.1
391.18924	16.0
393.20712	18.6
403.19092	100.0
405.20602	11.0
407.18869	4.5
417.19147	4.2
421.20065	73.1
423.17108	5.0
423.21756	9.2
425.19406	3.3
439.21069	12.5
443.27710	8.3
455.20468	5.0
463.20932	12.1
481.22253	39.9
499.23282	23.5
523.27112	3.4
541.24243	94.1
541.35706	6.4
566.56195	3.2
566.65973	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74440	0.8
53.03949	2.0
54.12780	0.7
55.01862	3.6
55.05515	6.3
56.93745	1.0
57.07071	1.3
67.05499	7.6
69.03425	3.1
69.07068	3.4
71.01360	8.8
71.55744	1.4
75.86514	0.9
79.05500	14.5
81.03427	4.9
81.07067	6.8
83.04988	7.6
90.43633	0.9
91.05490	12.3
93.03416	1.6
93.07059	10.4
95.04986	6.9
95.08598	5.3
97.02924	1.1
97.06532	1.2
103.05488	2.1
105.03405	1.3
105.07034	11.4
107.04958	10.5
107.08574	4.8
109.06519	3.3
109.10166	1.8
111.04450	1.8
111.08105	1.0
115.05462	3.8
116.06296	1.1
117.07009	7.9
119.04956	2.4
119.08588	22.9
121.02860	1.1
121.06492	4.7
121.10147	3.4
123.04463	1.5
123.08054	1.9
128.06241	2.3
129.07022	6.4
131.04932	2.9
131.08586	10.4
133.06503	7.7
133.10126	7.9
135.04416	4.5
135.08038	5.4
137.06010	2.1
137.09641	1.6
139.04001	0.9
141.06955	2.3
142.07773	3.6
143.08572	12.0
145.06487	6.6
145.10143	4.4
147.08046	16.9
149.05978	4.2
149.09633	2.9
152.06267	1.1
153.06982	2.4
154.07759	3.1
155.08556	9.2
156.09361	3.2
157.06497	4.1
157.10143	12.2
159.08067	8.7
159.11703	3.7
161.05984	2.9
161.09633	6.4
163.07510	4.9
165.06981	6.1
165.09128	1.0
166.07802	2.7
167.08571	6.3
168.09399	1.4
169.06448	1.2
169.10107	12.8
170.10893	2.9
171.08026	9.8
171.11710	9.4
173.09636	4.7
173.13197	2.1
175.07645	1.3
175.11198	1.2
177.05479	3.2
177.09120	3.3
178.07884	1.2
179.08556	3.8
180.09326	3.3
181.06517	1.6
181.08629	1.5
181.10083	8.2
182.10890	4.2
183.08078	5.4
183.11644	7.6
184.08870	2.6
184.12376	1.0
185.09616	13.9
185.13258	5.1
186.10423	3.3
187.07562	1.7
187.11198	3.9
189.05466	1.5
189.09091	2.3
192.09367	1.7
193.10136	2.5
194.10884	3.0
195.07999	3.2
195.11697	9.5
196.08864	2.8
197.09631	9.5
197.11263	1.4
197.11575	1.4
197.13272	12.2
198.10411	3.3
199.07518	1.6
199.11217	10.4
199.14819	5.4
201.09163	2.0
201.12756	2.4
203.08737	1.4
203.10689	1.5
205.10170	2.3
206.10838	1.8
207.08203	1.4
207.11696	5.9
208.08919	1.0
209.09566	4.5
209.13295	9.2
210.10426	2.2
211.07599	2.1
211.11116	2.8
212.12035	1.8
213.09105	2.1
213.12785	6.5
215.10632	2.0
215.14240	1.4
216.09470	1.5
217.10229	2.0
218.10825	1.3
219.11896	2.0
220.12407	1.1
221.09665	2.2
221.13194	2.3
222.10532	1.1
223.07581	1.3
223.11189	3.2
223.14769	1.6
225.09154	2.6
225.12747	16.9
226.13472	1.5
227.10696	2.1
227.14319	26.7
229.10164	2.1
229.12250	2.0
231.11827	1.7
231.13872	2.4
233.13243	4.0
234.10608	1.2
235.11267	2.1
235.14827	1.5
236.12012	2.0
237.09209	1.9
237.12753	2.1
239.10725	1.5
241.12227	7.9
243.13911	2.3
245.09520	1.3
245.15495	1.2
246.10388	1.5
247.14874	1.8
249.12715	1.7
251.10509	1.2
251.14371	4.6
253.12230	3.3
255.09998	1.1
255.13721	1.5
257.13361	1.0
259.13318	1.7
261.12793	6.2
263.14297	2.1
267.13800	2.0
269.15387	2.3
273.12646	1.4
279.13812	12.2
285.14975	2.0
297.14899	18.6
301.14502	3.1
315.16653	1.9
317.15540	1.4
319.16913	1.0
333.18478	1.1
339.16080	2.1
343.16626	1.4
357.16968	9.4
361.17938	2.9
363.19510	2.0
375.18671	4.0
377.21362	1.2
385.17975	2.7
387.19717	1.6
395.21951	1.0
403.19016	7.3
405.20535	4.2
417.19098	100.0
418.19403	1.7
421.19870	6.6
423.21533	5.1
441.22250	1.5
443.27954	7.2
463.21164	1.5
481.22092	3.7
531.29321	1.0
541.24139	9.4
541.34741	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	541.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
56.96558	3.4
57.03440	1.8
61.02924	2.0
69.03439	8.7
69.77993	1.6
69.78385	2.9
71.05006	1.2
73.02911	2.4
81.03436	1.8
82.99100	0.8
82.99882	2.9
85.02916	12.8
86.03210	1.1
87.04483	1.6
91.05461	1.3
95.04961	1.0
97.02906	6.3
98.97591	13.9
99.04436	1.7
101.00888	14.1
109.02883	1.9
110.97584	3.4
113.00900	4.0
115.02432	2.0
116.98652	3.3
117.03377	1.5
119.01938	16.8
119.04916	2.1
124.99129	1.5
127.02438	1.5
127.03927	5.4
128.98589	2.2
129.04019	1.6
131.00334	0.9
131.01930	6.6
131.05577	4.6
133.03494	2.0
137.02985	0.8
137.06026	3.2
143.00133	3.2
143.01909	84.3
145.03654	5.2
145.04993	3.4
146.99667	1.3
147.01402	1.1
147.03329	1.0
147.04388	6.0
149.06590	4.1
155.01901	20.3
155.05554	3.1
156.02635	0.9
157.03510	3.6
158.99692	6.5
159.05064	4.7
161.02966	66.6
163.04199	1.1
167.05557	1.4
169.03445	12.3
170.99728	1.6
171.05078	3.5
173.02980	15.7
173.06606	22.1
175.04491	0.9
177.00780	2.7
177.05646	3.1
179.06989	1.2
181.05046	2.0
182.03354	1.3
182.99615	1.5
184.04659	1.9
185.01355	1.1
185.02997	3.7
185.06619	27.5
187.04530	49.8
187.08080	5.3
189.04338	1.8
189.06100	1.0
191.06068	0.9
191.07608	4.2
197.06606	2.5
199.08211	2.4
201.00755	1.8
201.06059	1.9
203.02321	2.1
203.04015	9.3
203.07645	9.7
208.04977	2.0
208.55212	1.7
215.07671	12.7
217.05640	1.5
217.09290	1.6
219.01801	6.9
220.02196	1.2
221.05115	14.2
223.04652	1.3
227.07666	2.8
229.05640	5.1
233.08763	3.5
237.02802	5.2
247.06461	1.2
253.03740	1.2
257.08746	6.7
271.07135	2.3
272.06400	1.2
273.08130	1.7
275.09802	38.6
280.06995	1.5
289.07709	4.2
289.57718	2.1
293.10828	100.0
298.08127	6.3
298.58420	4.8
307.09064	0.9
316.12509	1.3
333.13931	5.0
335.11917	46.8
353.09305	1.6
361.13464	43.7
365.13004	3.8
369.11197	1.9
369.61221	1.8
379.10342	1.5
379.14554	21.0
379.61050	3.1
395.13962	4.3
415.09323	1.2
421.15576	7.5
523.18597	12.1
541.19836	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	540.9888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98659	0.5
56.96567	4.4
60.24577	0.3
62.47463	0.3
66.07530	0.3
69.30784	2.5
71.95267	1.6
87.01033	0.3
98.21526	0.5
98.97590	72.1
116.98629	36.1
130.50912	0.3
130.93289	0.5
134.99669	10.5
138.28714	0.3
140.00211	0.7
146.32787	0.3
153.00722	0.4
154.93391	0.3
172.94366	2.8
190.95424	2.5
197.95285	0.4
200.11630	0.3
208.96457	0.6
214.95366	2.8
216.98758	0.4
230.98550	0.3
232.96490	7.2
234.99884	0.4
240.98912	0.9
248.94620	0.5
250.97598	2.4
254.03404	0.3
256.96445	17.8
258.99823	8.5
272.94522	0.5
274.97528	100.0
275.97888	0.5
276.98053	0.4
277.00851	8.8
278.01236	0.3
283.00027	0.9
284.00284	0.4
284.99765	0.4
292.98578	46.1
297.99167	2.7
298.97882	2.0
301.01172	1.4
303.00894	0.8
308.96976	0.4
314.95599	0.9
316.00159	1.0
316.98837	2.0
332.96793	0.8
356.96661	0.3
374.97900	1.0
383.00092	0.8
398.93704	0.4
398.97647	25.7
401.00934	2.5
416.98715	48.1
417.98901	0.6
419.02094	0.3
432.96713	0.7
434.99814	5.8
440.00323	2.0
440.99152	0.6
456.97025	2.0
498.97736	0.7
522.98596	0.4
540.98907	18.9
541.99408	0.4
556.96655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
54.45054	2.1
55.01883	4.0
55.05518	13.2
57.03442	12.9
57.07078	38.1
62.64036	1.9
65.03939	2.6
67.05511	18.2
69.07066	9.5
71.05001	2.8
71.08642	24.2
79.05494	19.7
81.07066	25.0
82.10896	1.8
82.66093	2.3
83.08629	15.7
85.10184	12.0
88.76864	1.8
89.06037	2.6
91.05481	8.4
93.07053	33.0
95.04985	7.0
95.08614	51.0
97.02960	2.6
97.06560	4.1
97.10175	4.6
99.04451	4.1
105.07031	6.0
107.04947	9.0
107.08606	17.8
109.10154	11.8
117.07048	6.3
119.08602	6.8
121.06520	5.6
121.10166	10.5
133.10173	2.7
135.11702	42.0
135.84999	2.0
137.13278	2.4
145.10133	23.5
163.11188	47.1
181.12157	10.0
227.10544	4.9
227.12810	98.3
239.23741	3.3
271.15521	2.2
283.15411	58.9
310.60754	2.1
313.27383	100.0
521.38489	68.1
544.77258	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	540.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	14.4
57.03433	9.2
57.07074	16.4
59.04993	7.8
66.68300	2.7
67.05506	93.1
68.05841	2.6
69.07060	10.5
70.06592	14.4
71.05006	4.3
71.08628	20.3
79.05497	22.3
81.07055	40.5
81.12584	2.3
83.04983	4.3
83.08636	10.4
85.10217	5.8
88.07634	17.3
89.06014	3.8
91.05486	22.9
93.07053	30.5
95.04971	3.4
95.08608	23.7
96.08948	4.7
97.06571	4.1
97.10172	3.1
99.08139	3.2
102.09196	11.2
103.28543	2.4
105.07067	9.4
107.08584	14.4
109.10162	58.7
111.08135	5.7
117.07029	5.1
118.75725	2.5
119.08572	14.3
121.10146	24.2
131.08592	5.4
133.10135	10.4
135.08105	2.7
135.11693	16.8
137.09602	6.3
143.08609	3.3
145.10155	6.7
147.11746	6.1
149.13271	3.8
155.10707	2.5
159.11676	3.4
161.13274	6.0
173.11780	12.9
173.13123	3.0
179.14294	12.4
201.14743	2.7
227.12881	4.7
229.14359	73.6
256.26385	37.8
259.20630	13.7
274.27377	5.2
277.21677	18.3
283.26392	10.7
284.29581	7.7
311.29428	40.6
313.27512	3.8
314.27597	4.1
327.20178	2.7
333.24374	6.8
351.25323	24.0
384.31335	2.5
487.34543	3.4
505.35168	60.6
523.29279	2.7
540.39911	6.3
540.53589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.6
55.05515	18.9
57.03440	8.5
57.07084	31.5
58.54879	2.4
60.79973	2.4
65.03958	3.4
67.05515	33.7
69.03441	4.2
69.07076	19.0
71.04972	3.0
71.08634	28.4
71.31761	2.3
71.55302	2.8
74.07576	2.6
77.74076	2.2
79.05506	25.1
81.03421	4.0
81.07069	40.6
83.04990	8.8
83.08624	12.6
83.96815	2.1
85.06590	3.1
85.10188	14.2
89.06079	2.9
91.05497	16.7
93.07050	38.4
95.04980	8.7
95.08073	1.9
95.08612	57.2
97.02884	3.6
97.06542	5.0
97.10187	8.1
99.04465	5.2
105.07040	13.2
107.04977	7.2
107.08601	32.9
109.06491	3.6
109.10145	14.4
111.04424	3.3
117.07030	11.1
119.08600	17.5
121.06525	7.4
121.10152	17.2
123.11750	5.4
125.06041	4.7
129.06996	4.5
131.08597	9.2
133.10133	8.7
135.08049	4.8
135.11713	41.9
137.09683	2.5
143.08580	5.6
145.10149	30.1
151.31456	2.4
157.10126	5.2
159.11740	6.4
161.09650	2.5
163.11201	48.4
169.10040	3.3
171.11761	3.0
173.09642	5.1
175.14832	2.7
181.12256	6.9
183.11708	5.1
187.14946	5.1
187.93922	2.6
190.40222	2.7
195.11763	3.4
197.13304	4.0
201.16393	4.2
209.11717	4.3
227.12788	90.5
235.14957	2.6
239.23737	5.6
277.19580	2.8
283.15427	63.2
290.20563	3.1
313.27386	100.0
319.38727	2.7
353.24710	4.3
361.25162	22.3
363.26694	3.3
379.26227	5.1
400.47040	2.7
467.31375	8.9
467.37375	5.0
521.38403	62.4
539.38928	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	539.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.01876	4.2
55.05518	18.8
55.47099	1.9
57.03448	12.1
57.07080	45.7
61.55656	2.3
65.03931	2.7
67.05511	32.4
69.03428	3.7
69.07075	18.4
70.93870	2.8
70.94185	2.5
71.04985	4.4
71.08640	30.3
73.02911	2.5
79.05503	30.3
81.03422	3.3
81.07069	36.8
83.04980	7.2
83.08626	16.4
85.02896	2.8
85.10179	16.6
89.06043	3.7
91.05488	15.5
93.07056	32.5
95.04969	7.4
95.08613	54.6
97.02900	6.8
97.06538	6.1
97.10165	7.4
99.04450	4.0
105.03422	3.8
105.07035	9.7
107.04945	10.1
107.08603	27.3
109.06501	2.8
109.10160	14.6
111.04460	5.2
117.07014	12.5
119.08599	13.4
121.06519	8.5
121.10150	16.4
123.11697	5.8
125.06007	2.8
125.09637	3.3
130.07832	3.3
131.08594	5.2
133.10168	5.7
135.11711	42.0
137.09612	3.0
137.13303	2.7
143.08615	2.3
145.10133	29.4
147.08122	2.7
157.10118	2.5
163.11206	49.1
171.11739	2.3
173.09637	4.6
175.07698	2.3
181.12251	10.3
183.11644	2.3
185.13269	3.5
209.11749	10.6
211.65500	2.0
227.12804	100.0
239.23726	6.9
271.89240	2.4
283.15387	59.8
284.15771	2.6
312.44568	2.4
313.27386	86.3
381.28055	2.5
521.38470	70.6
539.27081	3.4
539.39691	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	27.8
57.07069	14.8
67.05511	33.0
69.03439	53.0
69.07085	22.0
70.44038	3.4
71.04993	8.1
71.08620	11.3
71.55612	4.3
73.06561	5.7
79.05497	42.0
81.03443	9.0
81.07064	85.9
83.04981	13.3
83.08629	15.9
85.06562	6.2
85.77480	3.6
87.51094	5.0
91.05483	43.4
93.07047	73.6
95.04960	19.1
95.08612	86.9
97.06528	9.0
97.10154	7.7
105.07038	74.8
107.04945	4.7
107.08601	100.0
109.06543	27.3
109.10155	52.1
111.08086	7.1
116.70589	3.6
117.07032	23.6
119.08589	91.7
121.06522	9.4
121.09305	7.3
121.10146	88.8
123.08048	16.3
123.11718	28.1
125.05997	4.8
128.06213	5.7
129.06985	14.4
130.07785	6.4
131.08583	53.2
133.06476	3.7
133.10146	78.8
135.08038	7.4
135.11694	60.4
137.09616	6.2
137.13269	10.8
139.07440	9.0
141.07027	6.3
143.08551	31.4
144.09325	5.2
145.10144	64.3
147.08020	11.3
147.11694	44.0
149.09601	10.3
149.13261	19.7
151.11227	7.1
153.12753	4.6
155.08540	14.9
157.10144	40.8
158.11023	4.1
159.08064	6.2
159.11714	62.0
161.09653	17.4
161.13268	29.5
163.11157	13.1
163.14801	8.9
165.12785	4.8
169.10138	20.0
170.10928	4.3
171.11687	28.6
173.09636	27.9
173.13240	35.4
175.11185	10.6
175.14854	31.6
177.12787	11.2
177.16368	7.9
179.08611	4.5
180.09207	3.7
181.10129	12.1
182.10999	4.5
183.11787	24.0
185.09721	4.6
185.13278	30.5
187.11180	6.7
187.14804	35.2
189.12767	9.4
189.16386	33.1
191.17973	5.0
193.10129	5.2
193.12160	4.0
195.11726	10.6
197.13289	17.9
199.11217	4.9
199.14825	35.9
201.12752	6.2
201.16397	33.8
203.14345	8.3
203.17920	14.1
205.15874	9.6
209.13324	8.6
211.14815	16.9
213.16414	16.7
215.14461	8.8
215.17952	46.1
217.15936	8.9
221.13260	9.2
223.14828	12.9
225.12753	5.2
225.16371	9.6
227.14345	23.3
227.17952	13.8
229.15858	6.6
229.19489	19.2
231.17360	9.1
231.21101	4.9
237.16367	9.5
239.18045	8.9
241.15889	9.3
241.19560	8.1
243.21075	5.8
245.15361	16.3
247.17015	7.3
249.16400	7.2
251.18054	7.2
253.19560	8.7
255.21072	4.4
257.22812	5.4
261.16275	5.6
261.65042	3.9
265.19427	4.7
267.21011	5.3
269.22650	7.0
277.19427	6.2
279.20932	5.4
281.19138	5.7
293.22656	6.6
295.21265	4.7
295.24191	23.7
297.25867	5.4
299.20035	8.3
313.25070	5.4
319.24292	13.4
321.22174	4.4
333.25937	5.9
335.27124	4.7
337.25189	5.5
345.25833	6.2
363.26749	72.5
381.28018	53.9
397.27374	5.4
399.28983	30.4
417.31299	18.4
435.32599	56.1
437.30286	4.5
449.30481	59.3
453.33618	26.3
467.31662	77.2
493.37256	4.8
503.35141	12.7
521.36237	67.1
539.26251	10.1
539.37427	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00990	3.0
53.03945	4.3
55.01862	6.4
55.05516	18.3
57.03440	4.3
57.07069	11.6
59.51520	2.5
61.02913	2.8
65.03935	6.0
67.05507	41.3
69.03436	14.0
69.06726	3.9
69.07069	43.6
69.50316	17.9
71.05000	16.0
73.02899	2.7
78.01758	2.6
79.05495	22.9
81.03417	8.4
81.07062	100.0
83.04987	79.3
83.08617	11.0
85.02924	15.2
85.06542	23.8
87.04469	2.6
89.28709	2.3
91.05469	21.0
93.07050	53.4
95.04981	49.4
95.08612	91.2
97.02901	4.1
97.06536	10.1
97.10146	10.3
98.21493	3.3
99.04465	9.9
99.08078	3.9
100.07635	3.7
105.07040	45.0
107.04956	7.2
107.08600	50.2
109.06528	26.0
109.10162	94.2
111.08078	6.1
111.11721	7.1
113.06016	43.2
117.07055	4.2
119.08585	40.0
121.06484	4.7
121.10149	46.8
123.08049	5.1
123.11713	47.1
125.05998	4.5
125.09623	7.0
127.03907	4.0
127.07554	10.8
127.11219	3.8
129.06993	5.6
131.08586	15.7
133.10135	26.0
135.08046	5.7
135.11711	21.0
136.07582	3.7
137.05965	16.8
137.09650	7.8
137.13268	11.8
143.08530	5.3
145.04944	4.6
145.10114	22.8
146.06020	5.0
147.11682	26.8
147.44031	2.8
148.03947	17.7
149.04279	9.0
149.06006	3.2
149.09624	7.1
149.13251	20.5
150.04448	3.6
151.03952	3.9
151.07509	3.0
151.11183	3.9
153.09140	3.2
157.10165	10.1
159.11731	15.3
161.13243	19.1
162.05463	2.7
163.11206	6.4
163.14850	10.4
166.04994	3.3
166.08708	4.9
167.07068	2.7
167.10695	7.2
167.14299	6.1
171.11665	5.4
172.03960	8.0
173.04358	3.5
173.07202	3.1
173.13269	11.3
175.07549	2.8
175.14848	10.7
177.12898	3.4
177.16432	15.6
179.14235	2.8
179.17932	4.2
185.11765	3.8
187.14850	9.5
189.16357	6.3
189.89771	3.1
190.05017	3.0
191.14265	4.4
191.18025	8.4
199.14832	5.1
201.16399	7.5
203.17978	31.1
204.06557	14.8
205.06947	12.3
206.07072	4.6
213.16351	8.5
217.19498	3.7
221.19019	15.2
229.19481	4.2
239.20056	10.8
243.21037	5.5
255.11189	3.4
263.07233	2.7
269.22577	23.1
273.12195	4.0
279.09732	4.7
287.23676	28.4
293.24744	6.8
301.11780	8.2
302.12149	10.6
303.12381	6.9
305.19257	2.6
305.24799	30.5
313.11676	4.6
323.25812	72.6
341.18735	4.2
341.26895	77.5
343.13004	5.1
344.13214	6.0
345.13770	14.5
357.14313	3.2
359.15222	4.5
359.19577	8.4
359.27826	9.7
375.12000	3.0
377.16791	3.3
462.74753	2.9
465.22018	3.0
521.17657	3.5
539.18842	6.4
539.26740	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
50.23747	3.7
51.02395	4.7
52.41304	4.1
53.03947	8.8
53.35896	4.1
55.05514	12.6
57.03444	6.7
57.07074	11.7
58.16286	4.4
62.78402	3.7
65.03923	6.5
67.05503	38.0
69.03429	22.9
69.07073	42.0
70.06580	6.3
70.22151	8.5
70.22502	9.1
71.04999	8.1
79.05499	29.3
81.03433	21.6
81.07064	100.0
83.04996	27.1
83.08620	12.2
85.02912	25.6
85.06543	13.5
91.05491	29.1
93.07048	57.5
95.04977	95.9
95.08617	84.8
97.02879	10.4
97.06544	21.0
97.10161	6.0
99.04446	8.0
105.07032	64.6
107.04978	9.3
107.08596	62.0
109.02889	12.0
109.06513	18.6
109.10166	59.1
109.44628	3.9
111.04434	4.0
111.08079	8.3
111.11676	6.1
113.06013	9.6
117.07017	10.6
119.08607	40.0
121.06536	14.8
121.10146	45.3
123.08076	10.9
123.11740	22.6
125.02358	6.4
125.05970	5.5
127.03923	13.4
128.06197	5.5
129.07005	7.5
131.04959	6.5
131.08578	21.4
133.10153	25.0
135.08073	13.3
135.11742	30.5
136.06224	5.1
137.06006	16.0
137.09631	7.5
137.13260	9.8
139.11162	3.9
143.08553	17.0
145.04962	6.5
145.10144	35.6
147.08122	5.5
147.11702	30.5
149.09697	7.7
149.13225	20.3
151.07591	8.1
151.11273	4.0
155.08627	4.7
157.10139	19.4
159.11726	18.5
161.13307	24.0
163.07520	5.7
163.11200	14.4
163.14838	9.0
165.12675	5.2
167.07095	7.6
169.10173	4.9
171.11716	9.5
173.09612	11.3
173.13278	12.9
175.07454	5.0
175.11217	5.5
175.14825	8.1
177.16409	8.9
181.10011	4.2
181.12267	11.3
187.14836	14.3
189.09085	6.1
189.16440	5.3
193.15872	7.8
201.16457	4.8
203.17987	27.1
205.12277	6.6
205.15836	10.3
213.16418	11.5
215.10681	13.6
219.17503	4.6
221.19064	14.8
223.17027	5.9
229.19537	7.7
231.17473	13.6
233.11743	5.8
237.18530	6.6
239.20105	42.7
247.20546	9.5
249.18550	50.7
258.11069	4.1
265.21710	6.8
267.19638	48.5
269.22675	8.0
273.18460	4.8
285.20737	5.4
287.23657	22.2
291.12796	7.3
305.24728	15.9
323.25726	11.8
341.26846	11.7
507.19431	6.7
539.17487	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	539.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.2
55.01868	3.3
55.05515	20.4
57.03431	7.0
57.07071	5.6
65.03942	2.0
67.05186	2.7
67.05511	47.0
69.03111	2.2
69.03438	17.0
69.07072	20.8
69.32037	14.8
70.36020	1.5
71.04996	12.5
71.08629	1.7
73.02900	2.4
77.55658	1.7
79.05496	21.8
81.03429	15.1
81.07060	65.9
83.04973	13.9
83.08620	15.2
84.09138	1.5
85.02904	22.9
85.06562	9.0
87.00819	7.2
87.01321	1.8
87.04458	3.5
89.11926	1.6
91.05479	9.8
93.07050	33.8
95.04982	5.6
95.08610	61.0
97.02914	9.1
97.06518	8.4
97.10171	10.7
98.20800	3.5
99.04461	5.1
99.08066	2.7
101.06013	12.5
105.01864	6.1
105.03405	2.6
105.07021	10.6
107.04951	2.3
107.08591	26.5
109.02865	11.5
109.06545	2.6
109.10170	34.8
111.04453	2.5
111.08076	3.5
111.11684	3.5
115.07561	1.9
117.06998	2.5
119.08562	5.3
121.06516	3.3
121.09322	3.0
121.10147	40.8
123.08013	2.1
123.11705	17.4
125.09614	2.1
127.03918	9.5
131.04872	3.3
131.08517	4.6
133.06435	1.9
133.10130	4.7
135.08051	3.0
135.11688	27.7
137.05972	21.9
137.13266	7.9
139.11104	1.9
143.08595	2.8
143.16405	1.9
145.04979	4.8
145.06453	2.1
145.10121	7.4
147.08029	4.6
147.11676	2.7
149.13271	17.7
151.07475	4.3
151.14769	2.6
153.12764	5.0
157.10161	3.4
159.02925	3.1
159.08022	2.2
161.09682	2.1
163.07541	2.1
163.11215	10.4
163.14809	5.8
165.08987	1.9
167.07030	1.7
169.10225	2.5
173.09604	2.6
175.07515	2.5
177.09143	2.5
177.12776	3.3
177.16409	3.3
179.17935	4.1
181.12238	12.9
185.13269	1.8
189.09138	2.5
195.08186	2.2
199.13216	1.7
213.12686	2.0
219.21091	24.8
227.07037	3.9
229.08727	1.8
231.04945	3.4
237.22211	8.8
255.23199	100.0
262.38507	1.7
273.24234	13.0
279.16028	2.5
291.19318	1.9
291.25259	4.6
296.22513	1.8
297.16922	3.6
305.24835	2.4
311.15222	1.5
323.25900	3.6
325.16470	15.1
341.26855	6.0
343.17511	9.6
345.20227	1.9
363.21625	3.7
381.22629	4.7
417.16962	2.4
435.18225	11.0
453.17416	7.6
495.19864	1.8
539.19861	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	539.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
53.21438	1.5
55.01879	19.6
59.57891	1.9
65.03935	2.1
67.05528	3.9
69.03429	11.3
69.07051	2.5
69.25341	13.7
69.25747	2.6
71.17810	2.0
77.03948	1.7
78.91673	1.6
79.05051	3.0
79.05495	28.0
79.68874	1.5
81.03429	24.5
81.07066	3.7
83.04978	2.0
87.62042	1.8
91.05493	45.7
93.07049	10.6
95.01312	3.0
95.04975	18.8
95.08611	2.7
103.05530	3.2
105.07047	21.1
107.04977	25.2
107.08591	6.9
109.06500	8.9
115.05460	13.4
116.06259	6.4
117.07037	22.4
119.04971	4.4
119.08597	46.8
121.02936	2.1
121.06526	6.6
121.10142	4.4
128.06212	9.8
129.07011	31.8
131.04916	3.2
131.08574	34.8
132.05728	3.7
133.06503	6.1
133.10162	14.8
135.08049	9.2
141.07021	7.2
142.07793	7.5
143.08578	17.6
144.05731	3.3
144.09384	4.8
145.06491	18.7
145.10152	17.5
146.07225	2.3
147.08061	91.9
149.09636	42.3
149.10762	3.4
153.06964	2.7
154.07784	4.3
155.08580	11.3
156.09366	8.5
157.06514	4.1
157.10152	48.9
158.07312	2.3
159.08070	100.0
159.11705	57.7
161.08295	2.8
161.09641	42.4
163.07504	2.2
165.07008	2.8
166.07764	3.2
167.08609	4.7
169.10141	30.9
170.10988	2.6
171.08107	7.1
171.11696	35.2
172.08847	3.4
173.05945	4.7
173.09660	20.0
173.13280	18.4
175.07568	23.3
175.11205	6.6
177.09155	4.4
179.08629	4.5
181.10120	7.4
182.07350	2.6
182.10942	2.3
183.08070	4.9
183.11722	31.7
185.09630	9.9
185.13199	10.9
187.07558	3.4
187.11208	15.5
189.09148	4.6
191.10751	7.1
192.09351	4.0
193.10161	5.2
193.12149	1.9
194.10901	4.1
195.08047	2.9
195.11646	6.7
197.09615	13.0
197.13254	7.1
198.10422	2.4
199.11172	21.3
201.09131	5.4
201.12756	13.2
203.08803	1.8
203.10748	1.8
205.10168	2.8
205.56017	2.0
206.10899	4.8
207.11667	7.2
208.12502	3.7
209.09657	7.4
209.13295	6.4
210.10443	3.9
211.11148	9.5
211.14734	2.3
213.09137	4.1
213.12761	6.1
215.08788	2.9
215.10622	10.9
217.10321	2.5
217.12166	8.1
218.10890	3.2
219.08087	1.8
219.11815	3.5
220.12515	4.0
221.09700	2.8
221.13310	7.8
222.10420	2.8
223.11107	9.7
223.14832	5.0
224.11984	3.1
225.09132	3.1
225.12750	17.0
227.10637	8.5
227.14139	2.3
229.10130	3.7
229.12248	13.1
230.10992	2.1
231.08171	2.2
231.10052	3.8
231.11908	3.4
231.13840	7.0
232.12491	2.5
233.09575	2.4
233.13264	5.2
233.15392	17.5
235.11211	6.1
235.14954	2.6
236.12021	3.8
237.12764	7.8
237.16428	3.6
239.10783	5.3
239.14346	4.5
241.12315	2.8
243.11653	3.4
243.13808	7.4
245.11639	2.5
245.15431	4.3
246.10414	2.6
247.11191	4.0
247.15070	2.6
248.12038	2.7
249.12697	5.4
251.14330	6.6
253.12408	2.5
255.13782	4.6
257.13171	2.8
258.10333	2.5
258.14108	2.5
260.11996	2.0
261.12524	3.9
261.14835	8.6
263.14264	3.2
265.15738	3.9
267.14090	2.2
271.11014	2.1
271.14832	3.6
272.11972	2.7
272.15631	2.0
273.12701	4.4
274.13693	2.4
275.14279	5.8
277.15808	2.2
279.13837	3.5
281.15704	2.5
282.14063	2.9
285.12750	6.2
286.13516	3.5
287.14279	5.0
287.17932	2.3
289.14505	1.8
289.16083	2.2
291.17560	2.7
293.15472	2.9
299.14127	3.8
300.15134	2.3
301.15833	5.1
303.14041	2.9
303.17520	4.7
305.15604	1.8
305.19043	4.4
313.15915	3.5
314.16611	2.2
315.17426	17.1
317.15500	5.2
317.19006	7.1
319.16885	2.0
319.20526	2.7
327.17374	2.3
329.15466	3.6
329.19086	7.3
331.16846	5.8
331.20566	3.1
333.18533	18.1
339.17285	2.3
343.16919	7.7
345.18585	2.6
347.20172	10.6
349.17999	3.7
357.18521	10.9
359.20200	3.1
361.18185	10.7
367.18845	3.5
369.18442	2.6
373.18030	2.5
375.19476	22.8
377.17343	2.2
379.22559	2.2
385.18195	6.3
387.19635	4.1
389.21149	16.4
391.23077	7.9
393.20480	5.0
403.19049	15.1
405.20694	4.0
407.22214	38.3
417.20621	20.9
419.22302	5.2
425.23157	4.8
435.21722	49.5
453.22794	33.6
479.24161	2.0
507.23764	2.3
539.26636	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
54.87527	0.6
55.01877	0.6
56.78751	0.6
57.03441	1.2
61.02932	2.2
67.05505	0.7
69.03432	4.9
71.04994	0.6
73.02905	0.6
73.22607	0.5
79.05502	1.4
81.03417	2.5
81.07073	0.8
85.02914	14.7
88.66439	0.7
91.03960	0.8
91.05470	3.2
93.07039	0.6
94.04185	2.0
95.04979	0.7
95.08629	1.1
97.02881	3.8
103.05473	2.6
105.07034	4.6
107.04974	3.9
107.08600	0.7
108.05747	1.0
109.02883	1.4
109.06540	1.9
109.10201	0.8
115.05449	1.2
117.07014	1.9
119.08573	1.3
121.06525	6.1
121.10261	0.6
122.03650	4.4
123.08102	0.7
127.03928	2.1
128.06184	0.6
129.06924	0.9
129.89684	0.6
131.04936	6.0
133.06499	24.7
133.10095	0.6
135.04382	1.2
135.08093	1.9
136.05229	4.7
137.05984	100.0
143.08557	0.9
145.04999	3.1
145.06465	3.5
146.07281	5.3
147.08057	13.6
149.05968	0.9
150.06763	2.2
151.07549	83.7
157.06488	1.8
159.08070	1.0
160.08890	0.9
161.05957	1.2
162.06775	2.1
163.07550	12.6
165.09122	7.5
171.08032	1.5
172.08835	0.8
174.06865	0.8
175.07581	1.6
176.08348	1.2
177.09117	29.8
179.10638	0.6
180.08713	2.2
186.10416	0.7
187.07458	0.7
188.08228	0.8
189.09093	3.5
191.10698	1.7
201.09062	1.6
202.09901	0.7
203.10677	5.5
217.12233	1.6
237.18486	0.7
263.10510	0.6
277.12396	0.9
278.12964	1.5
309.14853	18.0
326.15118	7.6
341.17484	59.2
342.17804	0.8
359.18539	13.0
445.57208	0.6
460.49408	0.7
539.20563	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01874	3.5
55.05500	16.2
57.03428	8.4
57.07081	38.0
57.07345	5.4
57.42970	3.3
58.93176	3.8
66.88479	3.4
67.05512	37.8
69.07090	9.4
71.05008	4.6
71.08629	23.3
71.55054	4.4
71.55429	4.8
74.09720	14.1
79.05494	40.8
81.03403	4.6
81.07064	46.1
83.04973	8.2
83.08624	13.4
85.10168	12.2
91.05488	40.3
93.07052	50.0
95.04976	15.4
95.08624	30.4
97.10146	8.2
105.07047	26.2
107.04954	4.5
107.07872	4.3
107.08604	10.9
109.06541	4.3
109.10153	9.0
119.08595	12.7
123.11746	4.4
129.07011	14.5
145.10127	10.1
147.11707	16.9
161.13300	11.2
171.11719	25.3
189.12717	10.1
196.77882	3.7
207.13853	26.7
281.17505	49.1
281.29495	30.2
282.27948	100.0
299.30634	19.9
313.27377	59.0
333.11707	3.9
410.92221	4.6
519.40485	93.2
537.39905	6.1
537.53320	11.9
546.68317	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.1
57.03432	2.5
57.07072	2.7
62.74148	0.5
65.97308	0.5
67.05511	4.7
67.25194	0.6
69.03421	1.1
69.07066	3.5
71.08641	2.2
71.55421	0.8
79.05494	3.0
81.03423	3.1
81.07059	5.1
83.01077	0.8
83.04985	1.2
83.08633	3.4
85.06554	0.7
85.10181	1.1
89.99931	0.5
91.05468	3.1
93.07050	4.9
95.04967	1.9
95.08604	6.0
97.06541	0.8
97.10191	1.4
105.07022	3.7
105.56980	0.6
107.08604	5.4
109.06523	1.3
109.10160	3.8
111.08116	0.7
117.07011	1.2
119.08593	5.2
121.06458	1.9
121.10170	4.0
123.08109	0.7
123.11742	1.8
125.09662	0.7
129.07048	1.0
131.08614	2.7
133.10153	3.9
135.11723	3.5
143.08548	0.8
145.10120	3.2
147.11763	2.0
149.13335	1.0
151.11201	1.1
155.08690	0.7
157.10208	1.2
159.11723	3.4
161.13269	2.8
163.14812	0.6
171.11723	2.3
173.13297	2.1
175.14908	1.3
183.11728	0.9
184.53262	0.6
185.13309	1.5
187.14864	2.0
189.16484	0.7
193.12326	1.3
197.13345	0.7
199.14919	1.6
201.16418	1.3
213.16487	1.6
215.17993	1.4
227.17998	1.6
229.19574	1.5
239.18027	1.0
241.19540	1.3
255.51082	0.6
265.19733	0.6
267.15903	4.0
297.25784	1.2
317.80884	0.6
327.28912	3.9
416.93906	0.6
477.33463	10.1
477.39667	1.0
491.18378	0.6
518.36346	1.3
519.40698	2.3
537.35742	100.0
538.36035	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3274
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
52.27249	5.0
53.03951	6.4
55.01867	8.2
55.05511	27.2
57.03431	4.4
57.07064	11.8
57.70213	4.4
57.76797	4.0
57.85793	3.7
61.02896	4.0
61.32552	4.4
67.05508	41.4
69.03433	31.4
69.06781	4.2
69.07076	50.9
70.06591	6.4
70.21976	15.6
70.50539	4.3
71.05000	8.1
73.02889	4.8
79.05500	39.7
81.03414	17.0
81.07056	100.0
83.04968	19.2
83.08620	18.1
83.18560	5.3
85.02924	31.5
85.06534	15.7
86.86612	4.0
91.05479	27.0
93.07050	55.2
95.04982	33.3
95.08046	8.1
95.08611	96.4
97.02881	13.2
97.06538	25.7
97.10200	8.7
97.56717	5.1
99.04464	4.5
99.08095	6.9
100.07677	5.9
103.05460	36.5
105.07037	47.2
107.05030	4.1
107.08603	73.4
109.02873	9.7
109.06519	14.6
109.10157	76.4
111.04455	16.4
111.08086	7.7
111.11724	8.7
115.07600	5.6
117.06982	7.3
119.08583	51.2
121.06503	15.2
121.10146	50.6
123.04424	6.5
123.08037	8.0
123.11680	25.6
125.06000	27.3
125.09624	12.5
127.03905	15.5
128.07089	25.3
129.07434	9.1
131.04944	87.7
131.08566	18.9
133.06544	10.2
133.10136	30.9
135.08063	12.6
135.11699	32.6
137.05978	27.1
137.09605	8.4
137.13243	14.2
139.07536	7.5
139.11122	5.5
141.05316	4.0
143.08572	8.8
145.05019	7.6
145.10150	19.8
147.07976	9.1
147.11694	28.6
149.01147	4.3
149.05942	4.9
149.09619	9.4
149.13237	13.3
151.07559	6.0
151.11166	7.4
157.10123	6.3
159.08006	5.8
159.11700	18.3
161.06003	10.0
161.09555	9.5
161.13281	23.3
163.07568	27.8
163.11240	10.4
163.14836	9.1
165.09224	5.7
167.10605	6.6
169.08672	4.2
169.10135	10.5
171.11661	5.5
173.13301	8.9
174.99820	4.1
175.07484	5.0
175.14848	19.3
176.88843	3.8
177.12766	5.5
177.16383	12.5
181.12173	5.1
183.11601	4.9
185.13214	5.4
187.14806	15.1
191.17993	10.7
193.12218	5.1
201.16460	12.6
202.10739	24.9
203.10995	12.4
203.14270	4.9
209.18996	14.2
211.14804	6.8
215.10629	4.6
219.17433	9.0
221.15350	9.3
225.12752	5.0
229.15900	6.7
235.16891	6.1
237.18471	55.9
239.16396	12.2
247.16925	30.5
255.19659	6.1
265.17960	90.5
281.21133	18.4
283.19031	37.9
303.23279	8.9
321.24255	51.9
447.27390	5.5
451.19821	5.6
527.73407	4.7
537.18158	7.8
537.36340	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	537.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.6
55.01871	4.4
55.05506	6.1
56.16700	2.7
57.03446	4.7
67.05510	23.0
69.03429	25.5
69.07059	12.2
69.23965	30.9
71.04999	36.8
74.26568	3.2
79.05486	12.6
81.03434	26.2
81.07076	32.1
83.04967	6.0
83.08614	4.5
85.02912	42.8
87.00832	10.1
89.06008	3.7
91.05485	14.3
93.07057	21.1
95.04980	19.1
95.08611	20.6
97.02909	19.3
97.06509	8.8
97.80385	3.2
98.20739	7.1
99.04456	11.3
102.65569	3.2
105.01860	6.8
105.07046	29.7
107.08601	57.0
109.02876	21.2
109.06528	6.9
109.10165	72.9
109.95741	3.0
111.04436	5.3
113.05986	5.4
119.08597	33.0
121.06554	9.4
121.10162	38.8
123.08131	3.8
123.11697	12.8
125.05970	4.3
125.09650	15.7
127.03930	39.2
127.11198	24.1
131.04852	4.2
131.08582	9.0
133.10158	20.6
135.04372	4.6
135.11734	21.2
137.05980	8.0
137.09631	12.9
145.04994	10.3
145.06494	3.9
145.10129	26.4
147.08034	6.2
147.11705	37.5
149.09642	12.3
153.01851	90.5
153.12747	13.1
157.10135	7.9
159.02919	8.6
159.11694	7.0
161.09662	7.3
161.13237	6.2
163.03912	17.3
165.12750	8.2
167.10704	14.6
171.02937	3.8
171.11661	5.6
173.13260	5.5
175.14854	24.9
189.05426	3.6
189.16386	15.7
191.17914	3.7
192.41849	2.9
193.15918	13.8
195.02902	7.5
197.09584	3.5
199.14877	7.4
207.17468	3.4
207.63638	3.0
211.14893	3.3
211.16914	8.2
215.14391	3.2
217.15942	25.0
233.15219	3.5
235.16936	68.9
252.06798	3.0
253.18030	27.0
271.19180	4.0
289.07074	63.0
297.18527	4.7
311.14902	6.5
321.24319	5.7
331.08063	4.3
340.63977	3.6
343.18942	6.5
350.79108	3.3
361.20117	20.2
379.21146	31.6
397.17322	6.5
397.22253	100.0
415.23157	16.5
434.93112	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.05269	2.4
55.05516	33.5
56.09875	1.8
57.03425	1.9
57.07076	9.8
59.38048	1.7
67.05517	10.0
69.07079	8.9
71.04987	2.0
71.08620	5.6
71.55613	3.0
79.05503	7.8
81.03427	17.7
81.07052	12.4
83.04985	62.1
83.08637	9.8
85.02913	3.2
85.10143	2.2
91.05484	11.5
93.07043	10.8
95.04962	9.4
95.08592	8.6
97.06519	5.8
97.10187	3.4
99.08119	2.3
105.07046	12.4
107.05028	3.9
107.08606	6.1
109.06507	1.9
109.10164	7.4
111.08060	2.4
117.07039	1.7
119.08562	11.6
121.10161	5.9
123.08099	3.0
123.11739	1.8
125.09620	2.2
129.06987	4.4
131.04871	1.8
131.08571	8.1
133.06500	3.0
133.10146	9.7
137.09604	2.6
141.06929	1.9
142.07805	2.9
143.08569	4.4
145.10152	7.9
147.08110	2.6
147.11751	4.4
149.09651	2.3
151.11137	2.5
155.46066	1.8
157.10130	9.8
159.08102	6.4
159.11726	7.9
161.09650	20.0
163.50137	1.7
168.09521	1.8
169.10202	3.7
171.08089	1.7
171.11694	8.0
173.09628	6.2
173.13303	4.2
175.11226	5.6
182.10895	2.7
183.11665	4.3
185.13257	4.0
187.11154	1.9
193.12248	5.1
194.10959	1.8
197.13306	4.7
199.11331	2.6
199.14868	4.2
201.12746	5.3
203.14363	2.1
207.11668	2.3
208.12517	2.0
209.13300	3.4
211.13316	5.6
213.16318	1.9
215.14320	5.5
217.15906	7.6
227.14438	2.4
229.15871	2.4
237.16580	2.0
241.15974	3.0
253.15878	2.6
255.17522	1.8
265.15918	9.9
267.15851	1.9
267.20697	1.6
272.78940	1.7
275.18045	2.6
279.17358	10.2
283.20642	4.2
291.17429	7.8
309.22183	2.2
327.28958	3.0
335.20264	4.2
358.37640	2.0
359.23618	7.3
377.24777	100.0
397.40472	1.8
477.29730	5.2
537.42297	19.4
554.84143	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24338	0.7
52.67609	0.7
55.05497	1.4
57.03431	0.8
58.99584	1.1
61.02901	1.4
65.03948	4.4
67.05493	2.1
69.03409	3.4
69.07050	2.9
70.06593	1.6
71.04980	1.4
71.55179	1.1
74.00623	1.0
76.02237	6.4
79.05478	2.0
79.31044	0.8
81.03413	3.9
81.07050	1.8
82.06566	0.9
83.04989	0.8
84.04507	2.6
84.08118	0.9
85.02912	6.0
85.03966	0.7
85.06516	1.0
86.09689	1.2
91.05453	1.9
92.04977	2.0
93.07021	2.7
94.00835	0.7
94.06555	2.1
95.04942	1.2
95.07348	1.9
95.08598	1.1
96.08115	2.1
97.02889	2.2
97.06515	2.1
98.37066	0.8
99.05590	1.2
105.07028	1.5
107.08633	1.0
108.08118	7.2
109.02912	1.4
110.09698	6.0
116.01665	1.8
116.04962	2.0
116.07058	0.8
119.08534	1.6
120.04475	4.2
120.08089	4.5
122.06051	4.7
124.07592	1.8
127.03948	1.5
130.05019	2.1
133.10121	1.2
134.06039	0.8
136.07587	5.7
137.05988	6.5
138.05424	1.4
138.09172	8.3
144.04451	9.0
145.04980	1.1
145.06075	1.4
146.06024	1.3
147.11687	0.9
148.03935	92.8
148.07555	2.2
149.09544	0.8
151.03891	2.2
153.01846	1.1
154.08615	1.6
158.88936	0.7
162.02174	2.3
162.05511	6.0
166.05013	13.1
166.08643	16.9
172.03940	42.7
174.05519	1.7
177.03287	1.2
179.04829	5.0
180.05171	1.2
190.04993	10.4
191.07097	0.7
204.06564	100.0
212.13719	1.5
222.07652	1.7
227.11778	1.2
233.05975	1.1
255.11281	15.6
273.12372	14.0
283.10782	15.3
289.07147	1.4
289.11606	0.8
301.11832	66.3
302.12201	0.9
308.09064	4.6
309.09210	4.2
319.12909	2.3
325.11722	2.6
329.14987	2.0
329.95099	0.7
334.09177	1.5
339.13266	1.7
343.12897	64.2
357.14465	21.2
375.15335	4.5
408.80530	0.9
474.05060	0.8
487.17123	1.5
519.20178	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.7
55.01876	6.5
55.05503	1.5
57.02571	0.5
57.03437	3.4
58.18818	0.4
61.02922	3.1
65.03931	0.9
67.01862	3.2
67.05510	4.5
68.99794	3.7
69.03087	1.1
69.03437	19.0
69.07062	3.3
70.06599	0.7
70.15861	2.1
71.01348	0.6
71.05001	4.2
73.02934	3.6
79.05502	4.8
81.03428	17.5
81.03915	0.9
81.07059	7.6
83.01340	1.0
83.04982	2.7
83.08625	0.9
85.02910	41.2
85.06532	2.3
87.00835	13.7
87.04426	0.8
89.03915	0.9
91.03974	1.0
91.05477	6.3
93.07059	6.7
95.04982	4.8
95.08620	5.1
97.02901	13.2
97.06541	1.3
97.10171	0.9
98.20708	0.5
99.04464	7.7
99.08089	0.7
101.02404	0.6
103.03951	0.9
103.05474	1.5
105.01878	9.2
105.07035	6.8
105.19927	0.6
107.04955	1.6
107.08607	9.1
108.04485	0.6
109.02889	17.8
109.06516	3.9
109.10160	6.1
110.14236	0.5
111.00796	1.6
111.04422	1.4
111.08098	0.6
115.03964	0.8
115.05474	0.5
117.01854	2.1
117.03367	2.1
117.05470	0.6
117.06996	2.2
119.04932	1.0
119.08591	10.3
121.06504	2.3
121.10139	5.2
123.04440	3.7
123.08077	2.8
123.11711	1.7
125.02335	1.0
125.06000	2.3
125.09634	0.9
127.03924	32.8
128.06219	1.7
129.01849	2.7
129.06985	1.5
131.04913	2.6
131.08548	3.8
133.06482	2.1
133.10147	6.4
135.04439	5.4
135.08063	5.8
135.11690	1.9
137.02301	1.4
137.05995	6.5
137.09613	1.0
139.03888	1.5
139.07588	0.6
141.06964	1.0
142.07784	0.7
143.08572	3.4
144.09317	0.7
145.02922	3.5
145.04965	13.0
145.06448	2.0
145.10103	3.5
147.02890	2.2
147.04427	1.1
147.08051	7.5
147.11685	2.6
149.05980	1.4
149.09625	1.6
149.13260	1.2
151.03966	1.3
151.07536	1.0
151.11177	0.8
152.07146	0.7
153.01840	100.0
153.05392	4.7
155.08543	1.2
157.08850	0.6
157.10120	2.2
159.02921	12.9
159.08109	3.6
159.11685	1.5
161.05992	2.4
161.09645	5.8
161.13293	0.8
163.03922	29.2
163.07532	3.3
163.11217	0.7
165.01819	0.7
165.05568	0.8
165.06915	0.7
165.09097	0.9
165.12704	0.6
167.07030	0.7
167.10690	2.6
169.10086	1.1
171.02893	8.1
171.08034	1.6
171.11754	0.9
173.06030	0.8
173.09630	1.9
173.13272	1.4
175.07509	1.0
175.11203	1.3
175.14821	2.9
177.01761	1.1
177.04045	0.6
177.05429	0.7
177.09100	1.3
179.03426	3.8
181.10039	0.7
183.02899	0.6
183.08142	0.8
183.10194	0.8
183.11748	0.9
185.09654	1.5
185.13272	0.6
187.03934	1.4
187.07542	1.7
187.11172	1.0
189.03935	0.6
189.05466	1.1
189.09137	5.2
189.16368	1.4
189.98375	0.5
195.02930	8.8
195.08049	0.5
195.11720	0.7
197.13333	0.8
199.07603	1.6
199.11183	1.3
199.14806	0.8
201.09193	0.9
203.07031	0.9
203.10695	0.7
205.04987	0.9
205.08533	1.1
207.03307	0.5
207.11795	0.8
211.11305	0.9
213.03917	1.1
213.09093	1.0
215.03462	0.7
215.10600	0.6
217.05014	1.0
217.08571	1.3
217.12201	0.6
217.15915	1.8
219.02890	2.2
219.08200	0.8
219.10175	1.2
221.11826	0.6
223.11212	0.8
231.04977	5.9
231.10062	0.9
233.15253	0.7
235.09579	1.1
235.16875	2.9
244.12389	0.6
247.05965	1.2
249.11238	3.6
253.18124	1.0
261.03882	2.5
261.16440	0.6
267.12265	9.2
271.06030	1.4
271.14499	1.3
279.13806	0.7
289.07086	86.1
303.23257	1.8
313.07129	1.9
316.23816	0.6
321.24081	2.8
331.08157	5.2
336.11612	0.6
339.25443	0.9
343.18845	0.6
355.08163	2.1
361.20142	0.9
365.05130	0.8
379.08118	1.3
379.21231	1.4
383.06287	1.2
397.09253	3.1
397.22635	2.4
401.19543	1.1
447.17804	0.8
465.19055	1.0
483.19937	1.8
501.22302	0.5
502.25058	1.1
537.22388	1.1
537.23938	0.9
537.30225	2.6
546.83099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01860	1.2
55.05523	7.4
57.03445	2.1
58.59635	1.0
58.99590	14.9
62.30179	1.0
67.05503	6.3
69.03413	3.8
69.07076	6.6
70.06583	2.6
71.04965	3.0
71.28701	1.9
72.08139	1.4
74.00673	1.6
76.02229	80.1
76.03984	3.4
78.65474	1.1
79.05511	7.6
80.05009	1.4
81.02934	1.3
81.03418	22.0
81.07064	7.6
83.05002	5.8
83.08640	6.5
84.04041	1.5
84.04510	21.9
85.02889	4.7
85.04015	2.0
86.06062	3.6
86.09648	1.7
86.99046	3.6
88.03991	1.5
91.05495	5.8
91.71472	1.1
92.01672	1.9
93.07043	5.0
95.04956	6.9
95.08588	3.2
97.02890	2.6
97.06551	5.0
97.10168	1.7
99.04477	1.8
99.05569	3.0
99.08066	1.3
100.07626	1.5
102.05523	1.2
105.07017	6.3
107.04956	3.1
107.08566	3.3
109.02807	1.5
111.08057	3.1
114.03748	1.2
115.07575	5.9
116.00896	1.4
116.01679	20.2
116.07065	2.4
119.08591	6.2
120.08108	3.5
121.06483	1.3
121.10141	2.7
122.18922	1.1
123.08079	1.5
127.03890	1.3
129.06964	2.6
130.05008	15.6
131.04541	2.4
131.08553	3.6
133.06459	1.0
133.10135	3.0
135.53548	1.1
136.23987	1.2
137.06020	1.5
137.09573	1.6
139.85992	1.0
140.99586	1.0
142.03270	6.7
144.01161	12.5
145.04987	1.7
145.06071	4.2
145.10114	2.1
147.08078	1.3
147.11661	4.1
148.03929	1.7
148.06061	2.3
149.09592	1.7
151.07527	1.3
157.10095	4.5
162.02211	38.9
170.02692	3.3
172.03801	1.0
175.11214	7.0
177.03261	9.7
179.04861	76.0
187.05376	1.7
188.09209	1.8
193.12270	12.6
194.64508	1.0
195.04367	1.5
199.07083	1.2
204.06534	2.0
211.13322	28.9
215.04901	1.9
231.04639	1.0
233.05905	19.9
233.08067	1.2
238.42867	1.1
245.05876	3.6
286.14703	1.5
290.08017	1.4
291.06393	2.9
299.06183	1.2
306.07544	2.5
308.09103	100.0
343.12943	1.6
374.14795	1.4
442.32480	1.1
518.21552	1.6
558.74237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	55.9
56.92076	3.2
57.07066	5.6
60.25044	3.0
67.05512	30.4
69.03433	25.5
69.07071	22.0
70.73245	3.4
71.04991	3.9
71.08601	3.4
71.35346	2.9
73.06545	4.5
76.64292	3.7
79.05505	23.5
81.03432	6.4
81.07063	41.5
83.04985	58.8
83.08614	11.7
83.48923	2.9
91.05476	22.6
92.35683	3.0
93.07046	37.8
95.04971	16.0
95.08606	53.4
97.06519	6.6
97.10181	7.0
98.21538	6.6
101.06030	3.5
105.07029	32.0
107.08601	49.0
109.06561	3.4
109.10159	25.8
117.07018	6.8
119.08582	38.3
121.06545	4.7
121.10161	29.7
123.08078	10.0
123.11714	11.4
129.06975	8.6
131.08603	28.6
133.10167	23.6
133.11038	4.7
135.11694	13.9
137.09624	5.1
141.06949	6.0
141.09126	5.3
142.07780	7.7
143.08620	22.7
145.10120	30.0
147.11681	16.1
149.09590	3.4
149.13257	12.4
154.50323	3.7
155.08553	14.5
156.09395	4.9
157.10152	31.0
159.11678	38.3
161.13268	12.8
163.05656	3.3
163.14810	4.6
169.10152	18.6
170.10979	4.5
171.11678	26.2
173.13271	32.6
175.14824	10.8
181.10143	9.7
182.10901	4.3
183.11693	26.1
185.13235	28.2
187.14864	22.9
189.16362	11.6
193.10112	3.8
195.11688	14.5
195.22273	3.0
196.12483	5.6
197.13255	25.8
199.14836	17.6
201.16385	11.2
207.11792	3.9
209.13239	16.3
210.14053	5.3
211.14807	21.0
213.16541	16.3
215.17839	3.4
221.13240	6.2
223.14868	13.1
224.15520	4.9
225.16417	23.2
227.17961	18.9
229.19389	5.2
235.14743	7.8
237.16386	14.3
238.17274	4.1
239.17923	15.7
241.19496	6.9
247.14809	4.7
249.16223	4.3
251.17984	12.1
253.19560	17.8
253.63950	3.3
263.17834	9.4
265.19455	7.6
275.18079	3.6
277.19412	4.5
279.20911	5.6
291.20941	4.2
293.19385	4.0
293.22681	9.4
294.23447	3.9
295.21109	6.3
295.24234	67.4
305.22672	3.3
307.20377	4.0
319.24121	10.0
321.25757	5.0
327.23459	4.9
345.25565	5.3
353.24780	3.7
363.26865	44.0
368.92554	4.0
393.27893	8.5
395.29388	36.1
417.31555	10.4
421.31339	3.3
435.32648	100.0
463.32196	31.9
517.36926	7.5
535.23926	7.5
535.37976	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09709	2.3
53.03957	2.6
55.05265	3.8
55.05515	53.8
57.07070	6.6
65.03921	3.2
67.05515	30.1
69.03438	27.6
69.07069	20.4
71.05012	4.6
71.55503	2.3
75.24960	2.3
79.05511	16.8
81.03401	4.3
81.07064	30.0
83.04991	62.4
83.08625	12.4
85.06593	2.4
91.05463	17.5
93.07056	34.5
95.04960	10.8
95.08064	3.2
95.08618	52.1
97.06538	5.5
97.10167	3.8
105.07027	30.3
107.04905	2.7
107.08614	29.6
109.06522	5.8
109.10173	23.8
117.07040	5.8
119.08591	34.4
121.06483	5.6
121.10159	21.6
123.08062	13.7
123.11712	12.4
128.06229	2.9
129.06989	7.9
131.08568	23.3
133.10143	23.1
135.11708	13.1
137.09583	3.1
137.13168	3.2
141.07024	3.1
141.09114	3.5
142.07790	6.9
143.08560	21.3
144.09325	4.3
145.10121	31.5
147.11688	13.7
149.09563	5.3
149.13266	6.4
155.08626	11.6
156.09348	4.9
157.10136	28.8
159.11710	29.5
161.09650	4.5
161.13245	11.4
167.08531	5.8
167.10669	3.7
168.09303	3.7
169.10139	24.5
170.10966	4.5
171.11711	25.3
173.13263	20.2
175.14818	8.5
179.08589	3.0
181.10092	7.7
182.10866	4.3
183.11691	25.4
185.13260	23.2
187.14810	18.3
189.16388	7.8
193.10179	3.5
195.11652	14.3
196.12459	4.7
197.13266	17.0
199.14842	17.3
201.16380	8.6
203.14441	3.1
207.11720	4.8
208.12398	4.0
209.13319	15.4
210.14046	3.8
211.14816	12.1
213.16399	9.3
215.17897	2.8
219.11774	3.1
221.13248	5.3
223.14836	12.6
225.16376	19.8
226.17145	2.8
227.17966	15.6
233.13268	3.0
235.14821	3.7
237.16354	10.4
239.17967	13.1
241.19562	8.4
249.16408	4.8
251.18024	12.4
253.16209	2.9
253.19496	21.5
255.21030	2.8
257.65927	2.3
261.16278	3.1
263.18027	5.2
265.19455	4.2
267.17401	2.5
267.21118	5.9
269.18726	2.8
275.17892	3.3
277.19534	5.5
279.21051	9.4
280.21878	4.1
293.19534	2.6
293.22549	12.8
295.20908	2.2
295.24191	43.1
305.22598	3.2
319.24115	7.1
321.22318	3.2
321.25854	6.2
327.23260	2.7
333.25610	3.8
335.27219	4.2
345.25711	5.1
363.26877	35.3
393.27979	10.5
395.29459	36.0
407.33783	2.7
417.31308	6.8
421.31342	3.7
435.32635	100.0
463.32098	25.8
507.38513	3.0
517.36829	5.2
535.23468	9.6
535.37726	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.8
55.05511	29.6
59.05000	5.9
60.47004	4.2
61.46814	4.0
63.19022	5.5
65.03946	4.3
67.05499	42.9
68.29782	4.4
69.03425	14.4
69.07069	24.3
69.19368	50.1
69.98533	5.5
71.04977	15.3
79.05502	40.8
81.07059	56.2
83.04975	21.7
91.05470	44.5
93.07043	63.0
95.04942	14.5
95.08607	78.5
97.06525	16.3
97.10166	9.6
98.21497	11.4
103.05478	52.7
105.06310	5.5
105.07030	82.6
107.08593	91.1
109.06528	6.7
109.10176	49.1
111.08083	17.7
115.05433	5.7
117.07018	20.3
119.08594	84.4
121.06482	11.7
121.10133	42.4
123.08088	37.9
123.11728	9.6
125.09628	19.1
128.06197	12.1
129.07004	15.6
130.07790	7.8
131.04935	90.2
131.08568	64.4
133.10136	61.5
135.08038	42.4
135.11690	14.4
137.09573	14.2
139.07559	7.3
141.06966	9.2
142.07779	11.7
143.08565	52.7
145.10123	98.9
147.08028	19.6
147.11710	40.2
149.09608	15.6
149.13280	8.3
151.11288	5.1
155.08574	20.6
156.09338	15.5
157.10141	73.7
158.10896	9.5
159.08003	14.2
159.11676	67.3
161.09631	30.3
161.13251	30.4
163.07544	49.0
163.11185	24.8
163.14888	6.6
165.06964	10.0
165.09070	7.8
167.08530	8.2
168.09367	7.4
169.10112	35.9
170.10924	11.9
171.08011	17.1
171.11708	45.4
172.08820	6.6
173.09633	27.0
173.13264	39.1
175.07468	6.0
175.11211	11.8
175.14827	7.6
177.09081	13.1
177.12738	7.7
179.08580	6.9
181.10103	13.0
183.08081	5.3
183.11688	49.2
184.12398	5.5
185.09589	12.5
185.13264	89.0
187.11182	16.6
187.14819	44.6
189.09050	8.4
189.16461	6.7
191.10617	14.2
191.14311	8.1
193.10133	14.7
195.11740	24.6
197.13208	25.8
198.10347	6.9
199.11195	19.4
199.14821	78.1
200.11913	6.0
201.09132	5.8
201.12633	9.3
201.16365	18.1
203.14337	23.3
205.12242	11.4
205.15833	11.3
206.10989	6.3
207.11676	16.2
207.13640	6.0
209.13217	21.5
211.11223	7.2
211.14903	22.9
213.09274	4.7
213.12758	58.0
213.16194	26.4
215.10567	10.8
217.15927	31.0
219.11557	5.8
219.17526	5.4
220.12509	10.6
221.13229	18.5
221.15175	5.9
223.11311	8.4
223.14806	22.5
225.12743	13.5
225.16409	28.3
227.17882	13.6
229.12207	5.8
229.16069	7.0
231.13774	8.9
231.17468	7.2
232.12471	8.8
233.13177	4.9
234.14006	10.4
235.11174	6.0
235.14760	14.8
236.15501	6.8
237.12833	6.4
237.16458	22.1
238.10068	5.2
239.14189	4.9
239.17900	9.8
241.15961	10.0
243.17506	20.0
244.12398	6.1
245.15358	8.6
246.13750	5.5
247.14967	6.9
249.16467	23.1
251.14252	5.4
251.18022	7.2
253.12178	7.3
253.15952	7.8
253.19617	5.2
263.17926	13.3
265.15936	26.0
265.19476	12.4
267.13724	7.8
267.17444	19.3
269.18857	5.2
273.14728	27.0
277.15878	30.3
279.17236	15.0
281.19095	8.5
281.22534	6.9
289.15869	5.3
291.17300	18.9
293.22583	22.0
295.16986	37.2
301.15778	6.6
307.16867	15.7
309.18634	43.8
309.21945	8.4
311.23587	28.2
319.16873	14.3
337.18076	38.9
337.25266	12.5
345.14795	6.6
349.25174	14.0
351.19397	14.4
355.19022	14.0
355.26227	14.4
367.26288	20.5
369.20621	57.9
377.24722	12.9
387.21622	79.7
395.25836	11.6
413.26913	100.0
421.30804	8.9
437.30774	6.1
445.29367	8.6
449.30307	13.7
455.31412	9.0
467.31680	36.4
485.32574	57.2
499.33954	8.8
535.27069	35.1
535.35925	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	535.3397
Annotation	Taumycin B
Peak:m/z	Relative Intensity
53.03931	0.4
55.05526	1.4
57.03435	1.3
57.07077	0.3
62.54463	0.3
65.59977	0.3
67.05515	2.8
69.03428	1.0
69.07070	1.4
70.60006	0.8
71.04991	0.5
79.05490	1.6
81.03429	0.4
81.07065	4.1
83.01104	1.0
83.04984	0.8
83.08621	1.1
87.02181	0.3
91.05489	1.9
93.07030	2.9
95.04978	1.0
95.08610	4.0
97.06540	0.8
97.10143	0.5
99.08094	0.3
101.16856	0.3
102.63017	0.3
103.05492	0.3
105.07043	3.4
107.08593	3.2
109.06534	0.6
109.10166	3.1
111.08083	0.4
117.07008	0.7
119.08595	3.8
121.06355	1.3
121.10140	3.1
123.08088	1.1
123.11740	1.4
129.06999	0.7
131.08557	1.7
133.10129	2.7
135.08113	0.3
135.11642	1.3
137.09621	0.8
139.11218	0.4
142.07848	0.3
143.08598	1.3
145.10129	2.1
147.11710	2.0
149.13260	0.5
155.08612	1.0
157.10117	1.8
159.11697	2.2
161.09596	0.4
161.13269	1.9
163.11252	0.5
165.12776	0.4
167.08530	0.3
169.10201	1.0
171.11697	1.4
173.13261	1.7
175.11214	0.4
175.14886	1.1
181.10199	0.6
183.11757	0.8
185.13251	1.6
187.14827	1.2
189.12799	0.6
189.16440	0.6
192.09366	0.4
195.11723	0.8
197.13234	1.0
199.14839	1.3
201.12775	0.5
201.16365	0.4
209.13269	0.3
211.14838	0.5
213.16397	0.4
215.17818	0.3
217.19481	0.3
223.14775	0.6
225.16437	0.6
227.17986	0.9
229.16026	0.4
239.17952	0.6
243.17441	0.5
245.19038	0.4
251.18105	0.4
253.19653	0.4
255.17445	0.3
257.19113	0.5
269.18884	0.4
271.20511	0.4
277.19846	0.4
309.21863	0.3
311.23575	0.3
313.25351	0.7
337.24896	0.3
357.87115	0.3
363.26813	0.4
381.27884	0.3
400.22308	0.3
417.17081	0.4
432.19962	0.3
433.19888	0.3
447.21710	0.7
475.21130	1.1
475.31824	10.3
476.22037	0.3
503.20657	0.3
516.34442	1.6
535.24146	4.8
535.33972	100.0
536.34692	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01871	2.0
55.05502	4.4
57.03436	1.1
57.07079	1.1
66.63454	1.2
67.05508	6.8
68.43143	0.9
69.03416	3.5
69.07063	3.1
69.42028	8.1
71.05029	1.1
77.03898	1.2
79.05492	7.7
81.03422	11.1
81.07066	11.0
83.04989	2.9
83.08611	1.2
91.05481	7.4
93.07050	11.4
95.04980	8.7
95.08624	9.2
97.06531	3.5
103.05522	1.5
105.03400	1.2
105.07040	12.7
107.04965	4.0
107.08593	9.1
109.06517	5.8
109.10177	3.4
111.08102	1.9
117.07027	4.9
117.62064	1.2
119.08582	14.4
121.06503	4.8
121.10133	4.5
123.08041	2.6
127.19769	1.2
128.06204	1.9
129.07024	6.0
130.07817	1.1
131.04950	12.4
131.08583	8.3
133.06505	1.5
133.10153	8.4
135.08070	3.0
135.11757	2.1
137.09618	2.4
141.07031	2.4
142.07776	3.0
143.08574	11.1
144.09337	1.7
145.06512	6.0
145.10146	11.6
147.08038	8.1
147.11705	4.2
149.09636	2.3
151.11249	1.2
155.08582	6.8
156.09360	3.2
157.10146	11.4
159.08109	6.0
159.11697	11.9
161.09645	10.3
163.11224	1.6
165.07010	2.3
167.08580	2.3
168.09343	2.2
169.10170	7.0
170.10934	1.1
171.08023	1.8
171.11703	8.7
173.09642	17.1
173.13260	6.6
175.11237	5.4
179.08659	1.5
180.09337	1.2
181.10187	6.2
182.10976	2.3
183.11697	17.8
185.09637	3.7
185.13292	8.0
187.11215	4.0
187.14815	4.1
193.10120	3.1
194.10884	2.8
195.11720	11.4
196.12419	1.4
197.13293	11.6
199.11206	2.0
199.14810	5.5
201.12810	5.0
203.14349	3.5
205.10072	1.1
207.11736	3.7
208.12477	2.0
209.09721	1.9
209.13263	6.9
210.14197	1.5
211.11296	1.9
211.14847	3.8
213.12788	2.1
215.14374	2.9
217.15977	1.6
219.11858	1.6
220.12390	1.1
221.13261	3.1
222.14122	1.4
223.11270	3.2
223.14790	6.7
225.12866	1.6
225.16431	3.8
227.14357	1.5
229.15860	1.9
233.13261	3.3
233.15424	1.7
234.47797	1.1
235.14906	3.1
237.16432	7.0
238.48476	1.2
241.16086	1.5
247.14862	2.6
249.12836	1.6
249.16454	2.5
250.17348	1.7
251.14207	1.7
251.16455	4.4
253.15874	9.4
255.17436	3.0
263.14368	1.6
263.17896	1.8
265.15955	1.7
265.19547	4.5
267.17349	5.8
275.14462	2.0
279.17499	1.2
283.16946	1.7
283.20578	3.0
289.15955	2.3
291.17435	4.1
291.21002	2.9
293.18994	5.1
303.17453	1.7
305.18970	2.5
309.19043	1.2
309.22003	6.4
317.18982	2.9
319.20642	19.0
321.22198	1.2
331.20630	3.2
333.22205	2.5
335.20123	2.1
346.22937	3.0
347.23761	3.6
349.25177	2.6
359.23703	29.8
361.18143	2.1
375.19547	2.2
377.24774	100.0
395.25809	7.6
403.18716	1.8
413.26974	9.5
435.21487	6.4
436.82895	1.1
479.66974	1.1
499.58865	1.2
535.25415	1.4
535.32745	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	535.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	5.2
53.03936	9.0
53.83820	4.4
55.01865	7.1
55.05505	16.7
57.07076	6.3
58.76754	4.5
59.05032	4.6
62.68557	4.1
65.03943	4.8
67.05499	26.3
69.03439	23.4
69.07062	18.8
69.62054	32.0
71.04994	10.0
72.30187	4.3
79.05500	27.0
80.24985	5.3
81.03410	13.8
81.07056	47.6
83.05023	10.0
83.08611	11.1
85.02905	11.3
85.06548	12.3
87.04475	13.2
91.05481	43.4
93.07040	45.5
95.04973	22.3
95.08601	53.0
97.02909	7.0
97.06553	23.2
99.04460	14.7
99.08028	4.3
101.06001	6.5
103.05471	43.2
105.07034	74.0
107.04966	9.2
107.08591	62.5
109.06503	13.3
109.10165	30.1
111.04428	7.7
111.08095	8.3
115.05460	11.9
117.07037	20.7
119.04910	5.8
119.08591	65.3
120.08128	5.1
121.06514	12.3
121.10147	39.4
122.10625	4.8
123.08081	10.1
123.11710	11.6
127.03908	9.1
127.07508	5.2
128.06235	13.1
129.07022	22.2
129.09183	4.3
129.51038	4.7
131.04938	94.8
131.08571	54.0
133.06488	9.3
133.10133	59.7
135.04442	4.7
135.08067	13.3
135.11687	28.4
137.05986	27.0
137.09671	8.2
139.07585	12.9
141.07010	9.6
142.07816	13.6
143.08560	45.6
144.09383	5.5
145.10132	64.0
147.04405	7.7
147.08072	9.3
147.11705	24.2
149.05968	5.2
149.09633	8.0
151.07494	5.1
153.05486	5.0
153.06937	8.0
155.08531	30.1
156.09346	18.9
157.06517	6.3
157.10139	61.2
158.10921	5.5
159.08067	15.5
159.11700	49.4
161.05957	11.5
161.09659	18.1
161.13257	14.7
162.06796	8.7
163.07568	10.8
163.11134	9.2
164.07140	5.8
165.06995	10.4
167.08531	10.8
168.09384	10.5
169.10101	41.1
170.10872	9.4
171.08032	8.4
171.11725	47.6
172.05209	5.8
173.09569	11.6
173.13271	20.4
175.06194	5.2
175.07600	18.1
175.11227	18.6
175.14815	7.5
177.09164	15.9
177.12758	4.8
179.08623	14.4
179.10715	12.9
180.09233	5.7
181.10120	28.9
182.10922	6.0
183.06522	6.3
183.11714	45.2
185.08157	9.8
185.09656	8.9
185.13274	32.1
187.07541	17.1
187.11218	15.0
187.14896	14.9
189.09151	13.0
189.12796	5.8
191.08638	7.2
191.10651	10.1
193.10187	17.6
193.12352	5.8
194.10970	11.4
195.11726	40.9
196.12428	6.1
197.13344	27.6
199.07614	6.7
199.11176	17.4
199.14819	10.7
201.12778	5.6
203.10579	10.6
205.10155	10.2
205.12109	8.8
206.10960	12.7
207.10132	13.1
207.11880	27.5
208.12502	9.1
209.09683	4.9
209.11577	7.9
209.13391	32.0
211.11349	7.5
211.14932	25.5
213.12849	9.5
217.12166	10.5
219.11752	12.3
219.13696	7.8
220.12471	9.3
221.13359	37.4
221.77000	5.2
222.14078	8.1
223.14835	36.5
225.12659	10.7
225.16324	11.1
229.12297	5.9
231.13844	13.5
232.12462	7.4
233.13260	16.2
234.14085	6.4
235.14915	22.4
237.08987	6.1
237.12691	6.0
237.16374	16.5
243.13763	6.3
245.15454	10.8
247.14812	18.7
248.15616	7.6
249.16405	14.2
251.17834	6.1
253.12231	7.5
255.13850	6.8
257.15500	6.3
263.14310	9.0
263.18018	9.6
264.18420	5.5
265.08542	6.6
265.12299	5.7
265.16022	8.7
265.19507	14.4
267.17416	5.3
269.12955	40.7
273.11139	6.9
281.18903	6.6
283.13123	5.4
283.17227	5.2
287.13959	14.4
289.19461	6.4
293.15436	6.2
295.17056	7.3
301.10852	7.9
311.16455	7.6
313.17947	7.1
319.26242	7.0
323.16339	6.9
323.20041	7.6
325.10797	13.5
325.18073	12.6
325.21674	44.7
337.10641	10.6
337.27289	10.4
339.19522	9.1
343.22513	6.6
349.21359	8.8
351.19434	9.3
355.28632	13.7
369.17099	11.2
375.23300	11.1
379.22653	12.7
385.23849	8.8
393.24191	14.4
397.19327	7.1
397.23788	17.2
403.22653	6.3
409.23734	7.5
421.16638	9.7
421.23752	21.9
427.24796	48.8
439.24777	100.0
457.25922	77.6
499.26822	8.6
501.01019	5.3
517.28119	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.0
55.05508	27.8
67.05508	19.4
68.71696	3.5
69.03427	17.0
69.07061	10.4
71.01349	4.4
71.04996	4.5
79.05491	23.5
80.06232	3.5
81.07063	17.7
83.04981	23.7
83.08604	6.9
85.06541	6.7
87.04467	14.6
91.05483	29.8
93.07053	28.2
95.04975	7.9
95.08605	35.2
97.06554	24.0
99.04462	11.2
103.05458	10.4
105.07031	60.6
107.04939	6.0
107.08606	45.9
109.06516	11.4
109.10164	19.0
115.03940	3.8
115.05443	4.2
117.07000	17.3
119.08580	64.3
121.06548	4.0
121.10167	31.4
123.08027	9.4
123.11694	4.5
128.06223	12.3
129.05472	3.7
129.07016	13.3
130.07759	4.0
131.04924	7.7
131.08565	36.8
133.10129	60.5
135.08052	12.9
135.11668	17.0
137.05952	4.8
137.09586	4.8
139.07562	8.5
141.06967	8.7
142.07780	17.9
143.08574	38.0
144.17458	3.4
145.06473	4.9
145.10135	51.5
147.08047	5.9
147.11684	21.2
149.09683	7.0
153.09105	5.1
155.08542	25.3
156.09369	20.3
157.10144	64.7
158.10916	5.9
159.08084	9.7
159.11708	38.8
161.06094	5.2
161.07668	3.3
161.09612	15.0
161.13280	12.7
163.07532	6.0
163.11208	9.5
165.06990	5.2
167.08549	10.6
168.09354	9.7
169.10136	38.2
170.10962	7.5
170.39261	4.5
171.08080	4.6
171.11681	44.7
172.12503	4.5
173.09644	12.7
173.13258	22.0
174.10243	3.5
175.11208	8.8
175.14760	4.5
177.09044	8.5
178.60057	3.8
179.08551	13.6
179.10736	7.9
180.09386	8.1
181.10091	30.2
182.10927	11.1
183.11703	46.0
185.08066	9.5
185.09660	8.4
185.13254	39.8
187.11172	7.4
187.14848	7.2
189.09105	10.8
191.10645	4.7
192.09308	4.5
193.10124	15.2
194.10953	8.8
195.10141	6.5
195.11723	34.3
196.12511	10.1
197.09485	4.2
197.13240	25.1
198.14235	4.0
199.11208	8.4
199.14818	14.4
201.12811	5.0
203.10695	7.9
205.10112	6.2
205.12230	5.5
206.10945	7.9
207.10109	12.5
207.11758	26.5
208.12459	8.0
209.11662	6.6
209.13303	29.5
210.13997	4.8
211.11327	6.1
211.14798	20.4
211.35742	3.6
213.09227	4.0
213.12762	11.4
215.10657	5.8
217.12256	10.6
218.10997	4.7
219.11722	11.3
219.13661	6.9
220.12360	4.5
221.11591	4.5
221.13393	34.3
221.15279	7.5
222.14032	10.9
223.11346	6.0
223.14796	39.1
224.15392	3.8
225.12758	6.6
225.16432	9.3
227.14322	5.1
229.12254	7.3
230.10924	4.0
231.09940	4.5
231.11894	4.3
231.13850	15.2
232.12379	6.2
233.13237	11.7
234.13986	9.2
235.14885	25.0
236.15465	4.4
237.12628	4.7
237.16393	19.8
241.12299	5.6
241.15802	4.5
243.13805	6.0
245.13293	6.3
245.15533	6.2
246.13933	4.7
247.14861	16.2
249.12535	5.2
249.16693	19.0
250.17343	6.3
251.18007	4.6
255.13823	6.3
257.15482	5.1
259.14825	5.1
261.16367	11.3
263.14322	5.7
263.17944	11.3
265.16022	7.1
265.19537	17.3
267.17459	5.1
269.12781	7.6
269.15488	8.6
277.15872	6.4
279.21045	5.1
283.16870	6.7
285.18518	13.5
289.16028	4.9
289.19461	4.8
291.17303	5.2
293.15210	5.0
303.17419	3.8
305.19092	6.2
307.16772	5.1
309.18347	5.0
311.16104	5.5
313.18005	6.0
315.20880	4.6
323.19995	5.3
325.17880	9.8
325.21631	41.6
327.19928	5.6
331.20572	4.2
333.22156	7.3
337.17960	7.9
337.27310	4.1
339.19748	5.8
343.22592	11.8
349.21521	3.9
351.19476	6.3
353.21408	5.4
355.18890	4.6
367.22705	6.6
375.23267	11.0
379.22662	14.2
385.23849	6.1
388.30038	3.9
393.24313	12.5
397.19601	6.6
397.23813	14.5
403.24619	10.6
409.23782	5.9
411.25119	5.8
415.24481	4.8
421.23709	21.5
427.24927	39.4
435.21890	6.6
439.24838	100.0
445.25684	7.8
457.26019	63.6
487.26706	4.8
499.26764	11.3
517.28015	53.1
535.24524	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	535.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07090	0.3
53.03939	1.4
54.18022	0.3
55.01870	2.7
55.05515	24.0
55.33950	0.3
63.02374	0.3
65.03931	0.8
67.05490	1.3
69.03416	1.4
69.07065	0.4
69.34000	2.5
79.05492	3.0
81.03428	3.8
81.07037	1.9
83.04985	40.2
91.05484	22.8
93.07042	2.8
95.04974	4.2
95.08592	1.0
97.06495	0.3
101.06010	1.3
101.06595	0.3
103.05464	2.0
105.07035	5.3
107.04965	1.8
107.08601	2.3
109.06509	1.0
109.10149	1.0
115.05445	4.9
116.06247	5.4
117.07024	5.0
119.04936	0.4
119.08588	11.9
121.06495	1.1
121.10137	0.7
123.11719	0.3
124.08380	0.3
128.06206	3.0
129.07014	9.0
130.07799	0.8
131.04950	2.0
131.08575	26.4
133.06509	2.7
133.10129	7.0
135.08049	0.9
141.06995	3.8
141.09052	0.4
142.07744	2.1
143.06024	0.4
143.08585	6.0
144.05708	3.9
144.09363	0.8
145.05406	0.4
145.06496	4.8
145.10139	4.2
147.08038	7.1
147.11708	1.0
149.09618	6.1
153.06984	0.9
154.07797	0.6
155.08530	2.8
156.09355	5.0
157.06508	1.1
157.10138	18.1
158.07271	0.9
158.10960	0.5
159.08060	100.0
159.11633	5.0
160.08665	0.5
161.05934	0.4
161.09621	7.7
163.07527	2.1
165.06973	1.2
166.07796	1.3
167.08545	1.6
168.09381	1.2
169.06447	0.4
169.07745	0.6
169.10129	5.6
170.10905	1.2
171.08107	1.6
171.11693	12.3
172.12350	0.3
173.06062	0.6
173.09637	7.6
173.13254	1.0
175.07574	0.9
175.11157	1.0
177.09065	0.4
178.07761	0.7
179.08548	1.9
180.09303	0.7
181.10085	2.1
182.07310	0.5
183.08124	2.2
183.11703	5.7
184.08841	0.6
185.09711	2.3
185.13269	4.4
187.07567	0.9
187.11195	3.4
191.08870	0.3
191.10704	1.1
192.09427	0.7
193.10130	1.9
193.12202	0.7
194.10902	0.6
195.08026	0.7
195.11728	2.2
196.08870	0.4
197.09630	4.7
197.13347	0.7
198.10449	1.3
199.11185	12.4
200.66907	0.3
201.09108	1.6
201.12775	1.3
202.07819	0.4
203.08748	0.5
203.10635	0.5
205.10152	0.8
205.12257	0.5
206.11020	1.6
207.11723	2.7
208.08939	0.5
208.12407	0.8
209.09636	1.8
209.13287	1.3
211.11192	2.5
213.12704	0.6
215.10683	1.1
216.09367	0.4
217.10132	1.2
217.12250	3.7
218.10818	0.4
219.11731	1.3
219.13669	0.5
220.12486	1.2
221.09766	0.6
221.13275	3.3
222.10341	0.5
223.11263	2.4
223.14833	2.3
225.09155	0.8
225.12732	0.8
227.10722	0.4
229.10143	0.8
229.12178	4.2
230.10867	0.8
231.11728	1.2
231.13840	3.7
232.12523	0.7
233.09595	0.8
233.13359	0.6
233.15405	1.2
234.10342	0.3
235.11136	1.5
235.14871	1.4
237.12772	2.2
239.10692	0.5
239.14429	0.8
241.12111	1.6
242.10855	0.5
243.11690	1.0
243.13850	1.9
245.09674	0.7
245.13219	0.9
245.15428	4.2
246.10481	0.4
246.13904	0.6
247.11137	0.8
247.14857	1.1
249.12726	1.6
249.16341	1.6
250.13548	0.5
251.10814	0.4
251.14197	0.6
253.12230	0.4
255.11606	0.5
256.12457	0.6
257.13266	1.5
258.14044	0.7
259.11087	0.8
260.11984	0.6
261.12717	1.5
263.14441	0.9
265.12210	0.4
267.13867	0.5
269.13260	0.7
270.14078	0.5
271.14865	0.9
272.11868	0.5
272.15894	0.5
273.12701	1.3
274.13538	0.5
275.14542	1.7
277.12076	0.4
279.13760	0.6
282.13889	0.6
283.14163	0.4
284.12015	0.5
284.15488	0.4
285.12738	1.7
285.15723	0.4
286.13348	0.5
287.14468	1.5
287.17645	0.4
289.15936	0.8
291.14008	0.4
293.15387	0.4
297.12531	0.4
297.16269	0.4
298.13571	0.8
299.14392	1.6
299.17798	0.5
300.15082	1.5
301.15829	1.3
302.16522	0.6
303.14044	0.5
303.17328	0.8
312.11584	0.5
313.15723	1.0
314.16592	0.5
315.13861	0.3
315.17462	7.6
316.18164	0.9
317.15527	0.4
317.19003	10.4
321.14917	0.5
323.20065	0.4
325.15710	0.5
328.14557	0.5
329.15488	0.5
329.19022	2.5
331.17056	0.7
331.20673	1.1
333.18561	1.0
335.16479	0.4
339.17322	0.5
343.16925	1.6
347.19958	0.4
357.18539	3.4
359.20026	1.3
361.17996	2.7
375.19650	1.9
385.17981	1.3
389.21115	8.4
391.22742	17.6
399.19553	0.5
403.18964	2.2
407.22189	2.4
417.20569	3.9
435.21686	23.4
457.36618	0.5
475.20822	0.4
503.24026	0.6
517.26038	0.4
535.23108	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	535.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.8
55.01873	6.0
55.05513	61.2
63.53135	2.5
67.05505	12.4
69.03428	6.4
69.07069	6.7
70.95383	2.6
71.05017	3.7
79.05505	18.8
81.03416	4.2
81.07070	14.9
83.04982	100.0
83.08637	2.7
91.05477	27.4
93.07045	28.4
95.04982	12.9
95.08595	14.0
97.06564	4.2
98.20718	6.1
99.54070	2.8
100.77644	2.9
103.05473	45.7
105.07033	35.8
107.04956	4.7
107.08584	13.5
109.06543	8.7
115.05479	8.7
115.80520	2.5
117.07040	14.7
119.04913	3.6
119.08583	30.9
121.06499	5.8
121.10162	6.6
123.08060	27.9
128.06245	4.1
129.06992	10.7
130.07785	4.5
131.04936	78.0
131.08560	23.3
133.06444	12.8
133.10152	17.9
135.08075	37.5
137.09619	5.5
141.05536	3.2
141.06995	3.8
142.07803	7.4
143.08556	18.9
145.06497	9.6
145.10123	31.8
146.07344	3.8
147.08076	14.7
147.11687	3.6
149.09622	12.8
151.07475	2.8
153.07109	3.7
154.07761	3.4
155.08562	11.7
156.09360	14.5
157.10135	29.4
158.07285	3.3
159.08058	19.8
159.11702	10.7
161.06009	20.1
161.09589	22.6
163.07542	56.8
163.11232	22.1
165.06956	6.1
167.08565	6.0
169.10132	19.6
170.10930	11.7
171.08052	31.5
171.11684	27.8
172.08849	4.8
173.05978	4.8
173.09613	27.8
173.13223	3.8
175.11215	7.5
177.09097	6.7
179.08595	4.8
180.09340	4.9
181.06566	3.7
181.10179	10.1
182.10857	4.7
183.08105	12.2
183.11684	43.7
184.08932	5.5
185.09633	14.7
185.13234	30.7
187.07562	5.0
187.11218	13.8
189.05576	4.1
189.09109	23.0
192.09378	4.4
193.10117	13.3
194.10919	5.5
195.08090	3.3
195.11700	13.2
196.12471	3.6
197.09644	12.3
197.13336	7.6
198.10429	9.8
199.11172	22.6
200.11992	6.1
201.09073	4.7
201.12715	7.5
204.09259	3.5
205.12202	13.8
206.10928	6.6
207.08209	2.5
207.11737	16.8
208.12468	4.2
209.09616	4.4
209.13350	5.5
210.10477	4.7
210.14514	2.9
211.11272	14.7
211.14845	4.6
213.09401	3.1
213.12735	77.5
215.10753	10.8
217.10210	4.9
217.12225	3.7
218.10925	3.2
219.11726	9.3
220.12532	8.5
221.13248	18.4
222.14087	2.7
223.11218	8.5
223.14853	7.5
224.11940	3.9
225.12796	12.0
227.10709	6.8
229.10191	5.3
229.12270	3.0
230.10873	3.9
231.10132	9.0
231.11977	3.8
231.13849	12.0
232.12483	7.1
233.13292	7.7
234.14114	9.6
235.11154	6.8
235.14780	14.6
237.12762	9.9
237.16429	4.2
239.10690	5.3
239.14334	9.2
241.12244	9.6
243.11813	4.9
243.13918	5.5
244.12445	5.7
245.13293	4.8
245.15456	3.9
246.10262	3.3
246.13977	5.1
247.11186	7.1
247.14886	7.8
249.12785	10.1
249.16444	19.5
251.14395	4.2
253.12262	8.7
255.13864	3.4
256.12283	3.5
258.14075	5.2
259.14944	4.2
261.12811	8.0
262.13556	4.7
263.14417	7.7
263.17981	5.7
265.12152	4.7
265.15808	26.6
267.14099	12.9
267.17496	26.6
273.14804	33.2
276.15149	4.1
277.12643	4.3
277.15869	32.8
279.17453	11.1
281.19034	7.0
285.12881	3.5
291.17731	24.4
294.16260	4.0
295.13788	3.3
295.16910	40.3
301.15927	4.8
303.13828	3.1
303.17468	2.8
304.14545	3.4
307.16946	19.8
309.18481	49.5
315.17462	5.9
319.16983	24.9
331.16998	12.4
333.18536	4.4
337.18045	48.2
339.19803	4.0
342.04834	3.4
343.16800	7.0
351.19620	13.1
355.19113	18.9
357.18454	9.3
361.17755	5.4
369.20642	60.8
373.18018	3.7
375.19614	9.7
385.18021	4.1
387.21710	98.7
389.21051	3.7
403.18790	12.9
405.20517	4.6
417.20468	6.5
421.20047	4.0
435.21725	33.2
453.22562	3.8
517.25598	5.3
535.26733	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89647	0.2
51.45618	0.2
53.03936	0.5
54.30230	0.2
55.01878	1.7
55.05508	1.8
57.03442	0.5
63.36502	0.2
65.03912	0.3
67.05510	2.8
69.03438	8.1
69.07061	1.3
76.99474	0.3
79.05509	2.0
81.03429	2.6
81.07066	2.5
83.05003	1.4
83.08613	0.3
85.73478	0.3
86.06344	0.4
91.05488	6.4
93.07057	2.9
95.04983	4.7
95.08607	2.6
97.06536	1.3
102.30164	0.3
103.05495	0.7
105.07035	6.1
106.18266	0.3
107.04959	0.4
107.08626	2.7
109.06531	1.7
109.10171	1.3
111.08082	0.6
115.05451	1.0
116.06233	0.6
117.07062	2.1
119.08595	5.1
121.06504	1.2
121.10155	1.5
123.08094	0.7
128.06226	2.2
129.07010	2.8
131.04927	0.9
131.08592	4.1
133.06522	1.7
133.07448	0.3
133.10141	4.3
135.08043	1.4
135.11797	0.3
137.09622	2.0
141.06995	1.3
142.07779	2.6
143.08574	3.9
144.05753	0.3
145.06505	1.4
145.10149	2.4
146.07269	0.5
147.08069	2.9
147.11647	0.4
149.09644	1.1
152.06238	0.7
153.06993	1.2
154.07800	0.4
155.08525	1.7
156.09387	0.5
157.06483	0.6
157.10155	2.1
158.07260	0.4
159.08086	3.9
159.11720	0.9
161.09628	6.1
163.07539	0.6
163.11263	0.3
165.07011	4.0
165.09102	4.3
166.07780	2.3
167.08597	2.5
168.09396	0.7
169.10149	2.0
170.07315	0.5
170.10811	0.4
171.08083	1.5
171.11760	1.2
173.09618	3.3
175.11211	0.4
175.95096	0.3
178.07864	0.9
179.08560	2.8
179.10692	0.9
179.33998	0.3
180.09354	2.7
181.06583	0.6
181.10167	2.7
182.07365	0.4
182.10825	0.4
183.08122	1.3
183.11771	2.0
184.08870	0.5
185.09644	3.4
185.13240	0.3
187.11211	1.5
189.09088	0.6
190.07848	1.1
191.08591	0.7
192.09395	1.4
193.10150	2.7
194.07301	0.5
194.10951	0.4
195.08118	1.2
195.11685	2.7
196.08884	0.6
197.09651	5.4
197.13283	0.5
199.11198	2.3
202.07758	0.6
203.08594	1.2
203.10518	0.3
204.09381	0.9
205.10164	2.0
206.10915	0.8
207.08150	0.6
207.11682	2.2
208.08849	2.3
208.12375	0.4
209.09631	2.7
209.13309	1.1
210.10487	1.4
211.11198	2.3
213.12816	1.0
215.08572	1.1
215.10483	0.4
216.09363	1.5
217.10118	1.8
218.10915	1.0
219.08101	0.6
219.11749	1.8
220.08789	0.4
220.12497	0.7
221.09668	1.2
221.13333	0.9
222.10406	0.5
222.14032	0.4
223.11206	12.7
225.12822	0.7
227.08636	0.4
229.10168	2.5
229.12234	0.6
230.10928	2.7
231.08258	0.7
231.11742	2.0
232.08907	0.6
232.12531	1.2
233.09648	1.7
233.13324	1.3
234.10374	0.6
235.11215	2.2
235.14774	0.7
237.09148	1.1
237.12738	2.3
239.08633	0.5
241.10158	1.1
242.10912	1.6
243.11720	2.4
244.12527	2.0
245.09706	1.6
245.13281	3.2
246.10481	1.2
246.14058	0.7
247.11232	2.8
247.14900	0.7
248.11993	1.0
249.12775	1.6
251.10741	0.3
253.10254	0.9
254.10898	0.8
255.11665	2.3
256.12460	1.4
257.09726	0.8
257.13248	1.9
258.10406	1.3
258.14160	1.1
259.11249	2.6
259.14865	1.2
260.12033	1.8
260.15662	0.4
261.09995	0.4
261.12811	3.0
261.16547	0.6
262.13638	0.8
263.10922	0.7
263.14377	2.3
265.10074	0.5
266.10977	0.8
267.11700	1.4
268.12503	1.2
269.09625	1.1
269.13293	2.6
270.10583	0.9
270.14056	1.7
271.11267	1.4
271.14868	1.1
272.12021	2.2
272.15192	0.5
273.12796	4.1
273.16348	1.1
274.13522	1.5
275.11456	0.5
275.14377	3.4
275.17905	0.8
277.12402	0.4
277.15936	0.8
279.11667	0.6
280.12387	1.4
281.09949	0.7
281.13345	1.8
282.10522	1.1
282.13971	0.6
283.11261	3.3
283.14896	1.8
284.11987	1.4
284.15472	0.4
285.13321	2.5
285.16434	2.5
286.10242	0.4
286.13626	1.1
287.14362	4.6
287.17471	0.2
288.15070	0.6
289.12164	0.4
289.15878	1.0
291.13748	0.9
293.13272	0.8
294.14148	1.1
295.11258	1.7
295.14890	1.7
296.12222	1.6
296.15262	0.6
297.12793	4.6
297.16034	0.5
298.13657	3.6
298.17004	0.6
299.10693	0.9
299.14404	2.9
299.17737	0.6
300.15118	0.8
301.12262	0.9
301.15909	1.6
302.13165	0.5
302.16611	0.3
303.13922	0.6
303.17484	1.8
305.13065	0.3
308.11984	1.1
309.12869	3.1
309.16312	0.5
310.13571	1.2
310.16968	0.5
311.14377	4.6
311.17905	0.3
312.15021	2.8
313.12512	0.6
313.15909	9.8
313.19519	0.8
314.12994	0.8
314.16763	1.1
315.14209	0.7
315.17596	0.9
316.14569	0.3
316.18350	0.3
317.15524	0.5
323.14359	5.8
323.17767	0.4
324.15106	2.2
325.15930	2.1
325.19437	0.6
326.13052	0.5
326.16669	1.6
327.13809	0.8
327.17493	3.5
328.14572	0.5
328.18063	2.2
329.15396	2.1
329.19043	1.0
330.16013	0.5
331.16934	1.2
337.15976	0.5
338.16611	3.4
339.17447	0.5
340.18329	0.7
341.15353	2.0
341.19141	3.9
342.16226	0.5
342.19955	0.4
343.17023	0.6
343.20673	3.2
345.18622	1.3
347.19980	0.3
353.19034	8.7
355.16980	0.6
356.17676	2.2
359.16483	1.0
359.20316	0.5
361.21768	0.7
371.20090	11.9
374.18869	2.8
389.21152	8.7
403.19119	0.4
416.19836	0.3
431.22183	1.7
449.23297	4.5
458.17743	0.3
535.26971	100.0
536.27356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01857	0.8
57.03430	1.1
61.02917	0.5
67.05488	0.6
68.99783	0.9
69.03429	5.2
69.07063	0.6
70.75244	0.3
71.01319	0.3
71.04987	0.7
71.20133	0.5
73.02894	1.1
76.65750	0.3
79.05489	0.9
79.18601	0.2
81.02985	0.4
81.03420	5.0
81.07045	1.1
82.16837	0.2
83.05003	0.3
84.97877	0.2
85.02905	8.0
87.00826	3.5
91.05467	0.8
93.07035	0.9
95.04981	0.6
95.08598	1.1
97.02892	5.4
97.06540	0.3
98.97603	0.4
99.04459	2.6
103.03946	0.3
103.05476	0.3
105.01864	2.0
105.07028	1.5
107.04989	0.3
107.08569	0.7
109.02879	3.4
109.06554	0.4
109.10149	0.7
111.00791	0.9
111.04433	0.2
117.01833	0.4
117.06989	0.3
119.04935	0.5
119.08578	1.6
121.02871	2.9
121.06473	0.3
121.10141	0.7
123.11737	0.4
127.03924	6.9
129.01794	0.4
129.07114	0.3
131.08582	0.7
133.02873	0.6
133.06479	0.8
133.10143	0.8
135.08084	0.3
135.11679	0.6
137.02328	0.8
137.05988	0.7
137.09616	0.5
143.08557	0.3
145.04971	2.4
145.10109	0.7
147.02931	0.4
147.04381	0.4
147.08041	0.3
149.13145	0.3
153.01834	4.2
155.08514	0.6
157.06537	0.5
157.10112	0.3
159.02866	2.3
159.11649	0.5
161.05991	0.7
161.09563	0.3
163.06033	0.3
165.01878	1.8
171.11586	0.4
173.13213	0.4
177.05464	0.5
179.07011	0.7
181.10109	0.5
182.10892	0.5
183.02878	0.9
183.08022	0.5
185.06006	0.6
185.13196	0.3
187.14861	0.3
191.14354	0.4
193.15866	0.3
195.08116	0.3
195.11726	0.5
197.13245	0.8
199.11165	0.4
199.14734	0.3
207.11821	0.3
209.09657	0.2
211.16978	0.3
213.05429	0.8
213.12666	0.3
225.12671	2.1
231.04652	1.2
231.06906	0.3
233.15288	0.6
236.13495	0.3
241.04964	0.8
243.13817	0.6
258.05295	0.9
261.14963	0.6
269.04239	0.4
269.13290	0.3
273.22314	0.6
274.22397	0.6
275.22794	0.5
287.05496	100.0
288.05847	0.5
298.07040	0.3
301.24039	0.4
317.24612	0.3
319.25763	0.4
329.06464	0.4
337.26740	0.4
403.18945	1.1
421.20099	0.7
431.18576	0.4
439.21161	0.6
443.80176	0.3
457.21762	0.3
499.23300	1.7
517.24347	0.9
534.29553	1.0
534.79694	1.4
535.20892	0.4
560.19421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1086
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03946	1.5
55.01872	1.6
57.03437	1.0
61.02937	0.9
62.06082	0.1
67.01870	0.1
67.05502	0.2
68.99789	1.2
69.03432	5.4
69.56058	0.7
71.01357	0.2
71.05002	0.8
73.02917	1.4
73.14728	0.1
74.65714	0.1
81.03424	7.2
83.01330	0.2
85.02908	11.3
87.00835	4.5
91.03951	0.4
91.05456	0.2
93.07054	0.2
95.04977	0.1
97.02898	3.9
99.00851	0.1
99.04456	2.3
101.02386	0.1
103.03943	0.2
105.01869	3.0
105.03391	0.2
105.07024	0.1
107.04945	0.4
107.08593	0.2
109.02885	5.8
111.00818	0.6
115.03930	0.1
117.01842	0.9
119.08614	0.1
121.02876	2.2
123.04438	0.1
127.03923	8.8
129.01854	0.8
129.06981	0.1
133.02859	0.3
135.04399	0.1
135.08052	0.1
137.02357	0.6
137.06013	0.1
141.01833	0.2
145.03902	0.2
145.04970	2.8
145.06248	0.2
147.02901	0.5
147.04451	0.5
153.01830	3.6
157.06456	0.2
159.02895	4.3
161.05954	0.1
165.01840	1.5
171.04407	0.2
177.03943	0.2
183.02901	0.6
185.05986	0.4
186.01711	0.1
197.05997	0.2
203.07130	0.2
213.04036	0.1
213.05533	1.4
225.05821	0.1
231.04736	1.1
231.06915	0.3
241.04915	0.7
258.05212	1.2
259.06171	0.3
269.04300	0.2
287.05499	100.0
288.05823	0.3
329.06570	0.3
353.06143	0.1
372.51385	0.1
499.23334	0.1
535.21503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.05511	22.8
57.03440	7.9
57.07071	10.6
60.08158	1.9
61.02922	8.5
67.05504	84.5
69.03418	1.8
69.06725	2.1
69.07069	26.3
71.04992	1.5
71.08620	6.2
71.56612	2.6
73.02913	2.0
79.05491	21.7
80.40475	1.4
81.03405	1.5
81.07056	94.0
83.04984	3.0
83.08620	22.8
85.02895	5.3
85.06548	2.6
85.10184	4.2
86.09724	7.0
90.95419	1.4
91.03955	1.7
91.05486	17.4
93.07045	25.1
95.04986	1.6
95.08606	76.0
97.02901	4.1
97.06541	8.8
97.10168	14.2
99.08118	3.7
103.03938	1.8
104.10746	8.1
105.07027	11.4
107.08576	20.3
107.39164	1.9
109.10155	46.3
111.08063	4.4
111.11697	4.8
113.09623	1.7
119.08563	13.1
121.10135	27.5
123.11713	23.4
124.99940	2.8
125.09660	2.8
127.11173	2.6
128.84567	1.6
133.10118	17.6
135.11697	13.5
137.09586	3.4
137.13239	9.2
139.11127	2.1
141.12752	5.2
145.10126	2.1
147.11670	14.6
149.13255	11.6
151.14812	6.7
155.14268	4.2
161.13278	15.6
163.14822	10.2
165.12752	1.6
165.16438	9.8
175.14787	13.1
177.16483	1.6
179.17970	8.1
181.15898	2.4
184.07362	9.4
189.16406	5.0
199.16676	1.5
203.18051	3.0
213.12766	1.5
230.37967	1.9
245.22649	72.3
263.23694	100.0
265.25314	1.9
281.24771	2.8
337.27353	66.2
355.28467	8.9
412.28186	5.5
499.32605	4.6
534.35834	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	534.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88748	3.3
53.03943	5.3
55.01864	4.8
55.05491	15.3
57.03429	6.7
67.05515	17.0
69.03434	22.7
69.07074	45.5
69.53236	8.7
69.53663	14.6
71.04984	13.7
73.02492	2.9
73.02911	3.1
79.05499	31.2
81.03418	32.9
81.07063	34.5
83.04987	32.1
85.02889	16.0
85.06522	3.9
87.00858	3.8
90.05531	2.9
91.05478	33.2
93.07050	56.4
95.04977	11.8
95.08593	20.0
97.02888	13.9
97.06539	61.2
99.04443	23.6
105.06383	5.3
105.07033	62.6
107.04941	13.9
107.08595	75.2
109.02863	15.0
109.06499	12.0
109.10164	7.3
113.06018	4.1
115.07563	3.4
117.07056	14.6
119.08593	32.1
121.06500	45.9
121.10134	31.4
123.08051	7.3
125.05997	58.8
127.03923	10.8
128.06252	4.4
129.07004	7.8
130.07779	6.2
131.08566	28.6
133.06479	11.1
133.10115	26.4
135.08035	10.7
135.11688	40.9
137.05972	8.9
137.09528	3.3
141.06923	3.1
143.07027	61.0
143.08516	11.6
144.09306	7.0
145.06483	12.7
145.10124	100.0
147.04381	2.8
147.08041	7.2
147.11693	4.5
149.09622	8.5
151.07552	7.3
154.07748	3.7
155.08524	4.5
156.09302	4.0
157.10136	8.7
158.07262	11.8
159.08102	16.0
159.11697	46.6
161.09624	4.9
161.21332	3.5
163.07494	4.9
163.11183	65.4
169.10143	9.1
171.08026	5.7
171.11697	4.3
172.08757	5.4
172.12170	3.0
173.09627	68.4
173.13197	6.9
175.11188	5.3
177.12730	7.1
179.08644	3.2
181.12221	11.9
187.11189	55.9
187.14799	7.0
189.09088	3.1
191.10649	18.4
197.09622	8.4
201.12540	4.8
205.12247	62.3
209.11662	5.3
215.10681	62.2
215.14270	13.3
233.09502	5.7
233.11723	69.9
233.15404	12.8
246.13747	3.1
251.12831	27.3
251.16373	8.7
255.06548	7.2
269.13705	5.2
289.14383	5.5
304.72684	2.9
307.15375	19.4
307.99744	3.0
325.16486	42.4
327.13748	3.2
346.15421	3.6
364.16550	3.0
377.19626	6.3
395.16827	10.6
413.18033	42.6
528.52197	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	534.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
54.72815	2.7
55.01874	4.2
55.05505	8.3
57.03433	4.1
58.57021	2.6
60.59866	2.9
67.05493	11.2
69.03436	14.0
69.07071	33.1
69.34538	4.7
69.34945	20.1
71.04989	9.6
73.02918	2.9
79.05502	25.9
81.03435	16.6
81.07057	25.2
83.04988	31.1
84.08150	3.1
85.02907	13.3
91.05502	19.3
93.07040	32.4
95.04972	18.1
95.08604	12.8
97.02898	6.3
97.06539	56.6
99.04484	19.9
105.06379	5.0
105.07037	52.5
105.07694	5.5
107.04955	16.3
107.08600	25.4
109.02882	10.3
109.06566	17.8
109.10202	6.7
113.05995	3.7
117.07053	14.0
119.04931	8.9
119.08597	17.6
121.06516	41.3
121.10151	7.3
123.08057	7.7
125.06004	50.3
127.03902	8.5
127.07573	3.7
129.07019	8.5
130.07791	5.3
131.08591	20.5
133.06471	7.7
133.10132	12.8
135.04462	4.3
135.08067	10.7
135.11678	9.1
137.05954	15.9
139.07549	5.6
141.06973	5.8
143.07059	32.0
143.08606	13.3
144.09341	5.3
145.04945	3.3
145.06482	10.9
145.10130	88.5
147.08026	7.5
147.11708	11.1
149.06013	3.3
151.07599	7.2
154.07744	5.1
155.08521	8.2
157.08624	7.1
157.10121	10.3
158.07234	8.6
159.08070	14.9
159.11708	39.5
161.05983	3.9
161.09642	6.4
163.07466	4.9
163.11182	56.1
168.89590	3.1
169.10083	14.5
171.08043	3.3
171.11684	3.9
172.08809	4.8
173.09630	76.5
173.13199	4.3
175.07558	4.1
177.09114	5.8
177.12779	5.1
181.10057	4.0
181.12222	13.0
185.09627	4.4
187.07567	3.4
187.11194	63.2
189.09192	4.8
189.12715	8.0
191.10675	21.2
197.09624	12.6
199.07613	3.1
199.11119	5.8
203.10933	3.4
205.08646	3.6
205.12242	45.1
209.11752	7.6
215.10677	61.4
215.14279	5.9
217.12238	3.0
223.13231	3.5
227.12764	13.9
229.12299	2.8
233.11748	100.0
233.15422	6.8
243.10077	4.6
245.11659	3.4
251.12773	63.2
251.16486	5.1
257.11719	4.5
261.11411	4.6
269.13782	11.6
275.12778	4.6
289.14371	4.2
295.13239	3.1
299.12756	4.0
317.13879	3.7
341.13849	6.8
359.14877	9.8
377.15833	16.2
395.16916	16.6
413.18167	14.4
427.94479	2.7
535.21454	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	534.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.2
55.01860	7.5
55.05505	4.2
57.03413	3.1
61.34441	2.9
67.05505	11.9
69.03427	16.6
69.07074	33.6
69.23244	30.6
71.04985	9.7
73.92179	3.0
79.05514	16.5
81.03406	12.4
81.07069	20.1
82.06569	3.4
83.04992	25.6
85.02899	8.0
91.05476	21.3
93.07055	29.3
95.04972	14.0
95.08611	9.1
97.02885	7.0
97.06537	55.4
99.04455	37.9
105.07035	49.7
107.04965	6.4
107.08563	25.0
109.02889	9.1
109.06499	19.8
109.10168	5.4
113.06014	2.9
117.07018	10.5
119.04957	9.5
119.08599	15.6
121.06525	27.1
121.10133	10.2
123.08065	3.2
125.05997	46.4
127.07561	5.1
129.07036	3.7
130.07793	5.5
131.08594	18.8
133.06506	11.2
133.10141	16.5
135.08075	6.3
135.11674	8.8
137.06000	12.3
137.09555	3.6
139.07509	4.0
143.07063	60.7
143.08534	8.5
144.09341	9.0
145.06476	9.9
145.09052	6.3
145.10135	94.2
147.08067	7.5
147.11681	8.5
151.07526	10.0
153.45935	4.0
154.07771	3.7
157.10143	4.5
158.07364	7.1
159.08040	11.2
159.11722	35.1
161.09589	5.3
161.13324	4.4
163.07547	5.3
163.11186	37.3
169.10158	18.7
171.07907	3.0
171.11691	3.8
173.09625	65.8
175.07593	4.2
177.12769	5.1
187.11197	71.1
189.12717	3.5
191.10670	25.9
197.09576	11.9
203.10664	3.6
205.12248	72.4
205.85484	3.0
209.11732	5.9
215.10686	71.5
223.13242	5.7
233.11719	100.0
233.15320	5.8
235.13237	3.2
251.12775	58.5
251.15382	4.6
251.16469	4.4
269.13837	19.0
359.14865	6.7
377.16025	16.3
395.16843	14.9
413.17896	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	3.3
52.49010	2.5
52.97036	2.5
53.03938	12.4
55.01868	5.3
55.05516	6.5
57.07064	4.4
67.05518	15.5
69.03435	5.4
69.07056	8.3
69.24447	2.8
71.55243	4.1
74.02974	2.6
76.69337	2.8
79.05503	17.0
80.30409	3.0
81.03415	26.8
81.07052	16.0
83.05005	4.1
91.05485	23.1
93.07035	22.5
95.04967	20.7
95.08599	12.3
97.10172	3.0
103.05482	2.7
105.02719	6.0
105.03401	100.0
105.04467	5.6
105.07030	24.2
107.04935	4.9
107.08595	12.7
108.26493	2.7
109.06526	4.1
109.10142	5.3
117.07029	6.1
118.48131	2.7
119.08593	20.3
121.06535	4.5
121.10141	11.2
123.11715	4.6
128.06184	5.8
129.07002	7.0
131.04926	4.3
131.08571	12.2
133.06487	7.9
133.10129	18.6
135.08032	8.8
137.09618	4.4
143.08563	10.8
144.09290	2.7
145.06505	4.6
145.10098	13.1
147.08095	19.7
147.11644	5.6
149.09596	8.6
149.13344	2.9
151.07545	13.5
155.08566	5.1
157.10135	9.5
159.08057	12.3
159.11731	10.8
161.09653	36.3
163.11340	3.6
163.55109	2.6
165.24991	3.1
169.10088	5.9
170.10907	3.6
171.08055	11.2
171.11665	3.4
172.08894	2.9
173.09634	64.9
173.13257	9.0
175.11200	10.4
183.11725	4.7
185.09639	9.3
185.13312	6.8
187.11218	17.6
187.14828	11.2
189.12791	6.2
195.08017	3.2
197.09613	5.6
197.13191	3.2
199.11147	10.1
201.12790	9.3
203.14314	25.1
205.16020	3.5
209.09659	5.2
211.11192	5.9
213.12801	17.4
215.14310	19.4
223.11195	4.2
225.12865	5.6
227.14282	3.3
231.13808	10.2
233.15335	8.4
237.12709	6.0
239.14374	8.1
241.15846	4.3
252.15138	3.0
253.16086	14.9
263.14182	3.1
265.15851	3.9
267.17538	3.6
277.45395	2.9
279.17935	3.9
281.19104	5.3
307.20612	8.0
325.21616	4.5
333.18546	8.8
344.68304	3.4
347.23657	9.1
349.21533	11.1
357.22208	3.0
365.24863	16.3
375.23178	67.5
393.24255	46.5
411.25192	10.3
487.54388	3.0
497.26691	3.7
515.38232	3.0
533.40356	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	533.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01652	1.1
53.03941	3.8
55.01875	9.7
55.05510	9.0
57.07060	2.6
59.26716	1.3
59.41224	1.1
62.26599	1.1
67.05505	11.9
68.05825	1.3
69.03417	4.9
69.07067	8.6
69.44080	6.6
69.44490	2.4
74.31275	1.1
79.05492	11.1
81.03420	8.0
81.07055	13.7
82.07391	1.3
83.04967	3.9
83.08620	4.2
91.05482	14.1
92.05772	1.4
93.07042	12.6
95.04964	7.4
95.08616	14.2
97.06548	1.5
97.10159	1.6
99.08086	1.7
103.05444	2.8
105.03399	23.3
105.04464	1.5
105.07024	11.9
107.04982	2.2
107.08582	12.0
109.06522	4.1
109.10154	8.2
110.10511	1.3
115.05462	2.5
117.07021	9.3
119.08585	17.7
121.06511	3.1
121.10154	11.1
123.08146	1.8
123.11705	4.4
125.09651	2.8
128.06232	4.4
129.07008	8.1
130.07834	2.6
131.08559	10.8
133.06505	2.2
133.10127	15.7
135.08043	3.8
135.11691	4.4
137.09641	1.4
139.11200	1.7
141.06923	2.9
142.07813	2.8
143.08563	7.7
144.09401	1.5
145.06465	8.0
145.10127	22.2
147.08052	41.8
147.11684	6.1
149.09673	1.4
149.13309	1.7
153.06963	1.7
155.08553	5.6
156.09383	2.6
157.10110	6.0
159.08028	4.8
159.11658	9.4
161.09604	9.8
161.13248	4.7
165.07010	3.6
166.07756	3.3
167.08543	3.2
169.10172	6.2
170.10989	1.8
171.07973	2.2
171.11688	5.2
173.09628	5.2
173.13293	6.2
175.07578	2.5
175.11165	3.1
175.14839	3.5
178.07729	1.4
179.08594	4.5
180.09270	2.9
181.10065	6.8
182.10915	2.4
183.08130	1.8
183.11731	5.8
184.12578	1.3
185.09599	3.3
185.13289	4.2
187.07498	3.4
187.11198	2.8
187.14824	16.7
189.09105	2.2
189.12695	2.2
191.08549	3.0
192.09233	2.9
193.10144	5.3
194.10942	1.5
195.11688	5.4
197.09734	1.9
197.13312	5.9
199.11235	2.9
199.13158	1.2
199.14911	3.0
201.16438	4.0
203.08444	1.4
203.14299	1.4
204.09438	1.6
205.10175	3.9
205.15855	4.1
206.10941	4.8
207.11681	4.9
209.09634	3.8
209.13312	2.6
211.11150	2.9
211.14803	2.1
213.12756	1.8
215.08655	2.2
215.14371	3.0
216.09271	2.5
217.10126	3.1
218.10916	2.0
219.11697	5.4
221.09616	3.8
221.13252	4.8
223.11179	19.5
225.12779	1.9
229.10208	2.7
230.10922	3.3
231.11664	5.4
232.08597	1.3
232.12457	2.5
233.09593	3.0
233.13182	3.9
233.15340	21.1
234.10388	3.0
235.11188	4.2
235.14847	3.6
237.12761	4.4
239.10764	4.6
243.11755	3.5
244.12614	1.5
245.09569	2.8
245.13266	4.1
246.10307	1.7
246.14149	1.4
247.11195	4.3
247.14810	2.7
247.17027	1.9
248.11926	2.2
249.12769	17.0
249.16498	1.4
251.14468	1.8
257.13177	3.4
259.11304	4.3
259.14771	4.0
260.11856	2.2
260.15826	1.5
261.12683	4.7
262.13437	1.6
263.14362	15.6
263.17520	2.0
265.15927	3.7
271.11414	2.1
271.14713	2.7
272.11960	4.1
273.12717	6.9
273.15988	2.1
274.13516	1.8
275.14316	4.0
277.15939	3.1
279.17386	2.7
284.11929	2.9
284.15488	1.5
285.12692	3.2
285.16617	1.3
286.13446	2.7
287.14307	11.9
287.17471	2.1
288.14963	3.0
289.15945	6.1
289.19601	1.8
297.12842	1.9
298.13467	2.5
299.14435	9.1
299.17679	2.4
300.15143	2.1
301.15860	3.0
303.17459	3.1
305.15558	3.0
307.20496	4.7
313.15939	5.2
314.16772	6.6
315.17535	7.2
321.22177	1.6
327.17520	9.4
328.18204	4.6
331.20544	3.0
342.19662	7.9
347.23672	5.3
357.22125	100.0
375.23187	75.1
387.25070	1.3
393.24246	70.0
411.25497	2.8
515.28009	24.7
515.36151	1.5
527.67755	1.8
533.28070	4.4
533.37695	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	533.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.3
53.59033	1.2
55.01870	6.8
55.05518	9.0
57.07068	4.2
67.05511	14.9
68.05862	2.0
69.03416	4.3
69.07074	8.9
74.68783	1.3
79.05508	8.7
81.03439	9.0
81.07070	15.9
83.04980	2.8
83.08618	6.3
85.06521	2.5
91.05483	16.4
93.07057	13.3
95.04991	9.4
95.08605	14.4
97.06589	1.5
97.10133	2.0
99.08049	2.0
103.05474	1.7
105.03391	21.9
105.04549	1.8
105.07031	14.7
107.04978	2.6
107.08603	11.8
109.06519	2.1
109.10139	12.9
111.87384	1.4
115.05468	2.9
117.07043	7.8
119.04961	1.4
119.08582	21.4
121.06499	4.2
121.10140	13.9
123.08049	1.9
123.11708	4.2
128.06190	3.7
129.07018	13.7
130.07774	1.7
131.08568	14.0
132.05762	1.8
133.06429	1.7
133.10123	13.0
134.10503	1.7
135.08025	2.4
135.11700	3.8
136.36649	1.5
141.07013	2.5
142.07796	3.6
143.08548	8.7
145.06473	8.2
145.10141	20.3
147.08066	46.2
147.11708	5.2
155.08553	5.9
156.09367	3.1
157.06517	1.9
157.10143	7.5
159.08107	5.1
159.11682	7.7
161.09610	9.2
161.13269	4.5
165.07030	4.0
165.12752	1.7
166.07767	2.8
166.96046	1.7
167.08588	3.9
168.09264	1.4
169.10117	5.3
170.10919	1.9
171.08119	4.0
171.11674	5.3
172.12509	1.8
173.05992	2.9
173.09619	7.0
173.13251	4.3
175.07608	3.2
175.11166	1.7
175.14792	3.0
178.07753	1.7
179.08569	4.8
180.09389	3.6
181.10103	7.7
182.10886	3.0
183.08047	3.6
183.11601	7.3
185.09587	2.5
185.13269	6.3
187.07515	3.5
187.11105	3.5
187.14835	13.8
189.09029	2.8
189.16370	1.9
191.08604	1.8
192.09438	2.2
193.10121	5.4
195.08087	2.2
195.11723	6.6
197.09650	2.5
197.13237	4.8
199.14821	3.1
201.12785	2.3
201.16406	5.2
205.10155	2.7
205.15892	5.8
206.10861	4.4
207.11694	4.6
208.08824	3.7
209.09836	2.8
209.13420	1.5
211.11308	2.0
211.14885	2.5
213.16389	1.9
215.14180	2.6
216.09315	2.7
217.10155	3.7
218.10904	1.8
219.11835	2.7
220.12456	2.4
221.09673	3.4
221.13226	5.7
222.10417	2.2
223.11160	18.0
223.14771	2.6
225.16466	2.9
230.10904	1.8
231.11696	3.5
232.12334	1.9
233.13245	3.5
233.15366	17.3
234.10397	2.4
235.11166	5.1
235.14931	3.6
237.12762	4.5
239.10788	3.0
243.11713	2.3
244.12535	2.8
245.09665	2.0
245.13255	5.8
247.11148	3.6
247.14771	2.6
249.12790	18.8
249.16594	2.0
251.14391	2.7
256.12418	1.6
257.13239	2.7
258.10236	2.2
259.11185	4.4
259.14694	2.3
260.23785	1.9
261.12665	5.3
261.22083	1.8
262.13696	2.3
263.14331	18.0
263.17108	2.2
265.15863	4.4
271.11169	2.5
272.11987	2.5
273.12717	6.1
274.13519	1.8
275.14407	3.5
275.18149	1.5
277.15948	2.0
279.17523	2.2
281.15402	2.5
283.14801	2.9
285.12689	3.0
286.13593	3.4
287.14294	12.5
288.15271	2.3
289.15829	6.2
289.19162	2.3
298.13647	3.6
299.14352	6.9
300.15051	3.5
301.15891	2.7
305.15384	3.7
307.20520	4.0
313.15771	5.9
314.16879	7.7
315.17484	5.8
317.18884	2.4
327.17499	8.0
328.18219	4.9
331.20547	2.8
332.21375	2.0
342.19772	9.3
347.23804	4.9
357.22156	100.0
375.23239	79.3
387.25082	1.7
393.24252	71.9
411.25366	5.2
515.28052	26.3
533.26831	5.9
533.37170	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	533.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
55.01856	4.1
55.05505	4.7
61.91616	1.3
63.66876	1.4
65.03936	2.3
67.05518	11.0
69.03419	5.8
69.07083	9.3
71.04987	3.7
71.55353	1.9
73.02901	2.1
79.05498	18.5
81.03428	28.3
81.07063	19.1
83.04962	5.0
83.08605	1.9
91.05486	19.7
93.07053	23.8
95.04976	29.0
95.08607	13.5
97.06560	6.7
98.98125	1.3
103.05484	2.1
105.03405	50.3
105.04539	4.3
105.07041	21.5
107.04957	7.6
107.08601	22.3
109.06525	12.9
109.10165	3.7
110.06042	5.7
111.06390	1.9
111.08024	1.7
115.05454	2.2
117.07037	11.2
119.08594	25.6
121.06510	9.9
121.10155	7.9
123.08073	5.0
127.07529	1.6
128.06221	4.6
129.07002	8.3
130.07802	1.5
131.04955	5.3
131.08565	18.0
133.06514	2.8
133.10133	16.4
135.08037	11.2
135.11681	1.4
137.09616	4.3
141.06969	4.4
142.07809	8.1
143.08598	14.1
144.09291	1.9
145.06477	5.4
145.10138	19.6
147.08060	13.3
147.11703	6.3
148.55104	1.5
149.09608	6.2
149.13263	1.7
153.06970	2.0
155.08508	8.2
156.09277	7.5
157.06548	2.3
157.10147	19.5
158.10829	1.8
159.08066	14.4
159.11714	11.8
161.09628	33.0
161.13277	2.7
162.09920	1.5
163.11208	5.0
165.06972	4.2
165.09169	2.2
166.07788	1.9
167.08553	6.8
168.09343	3.0
169.10133	16.3
170.10947	4.9
171.08066	5.1
171.11714	19.5
173.09615	18.2
173.13275	7.6
175.11212	10.4
178.07826	1.7
179.08556	7.7
180.09306	5.2
181.10133	13.3
182.10925	4.3
183.08174	2.2
183.10193	2.7
183.11678	19.0
184.08804	1.4
185.09602	4.6
185.13292	16.6
187.11220	8.6
187.14815	5.4
189.09111	4.7
189.12718	4.3
192.09334	3.3
193.10155	9.6
194.10925	6.3
195.11710	18.9
196.12428	3.7
197.09622	2.4
197.13248	18.7
198.14000	1.6
199.11218	13.9
199.14882	5.2
201.12721	5.6
203.14420	2.5
205.10123	3.9
206.10887	4.5
207.11688	9.8
208.12494	5.8
209.09753	2.7
209.13295	15.3
211.11220	5.3
211.14789	7.4
213.12724	15.8
213.16190	1.9
215.14291	13.0
217.10188	1.7
217.12186	3.0
219.11674	5.3
220.12427	5.4
221.13370	10.8
222.14017	3.8
223.11224	3.1
223.14818	16.9
224.15640	1.6
225.12779	3.4
225.16341	5.4
227.14232	4.7
231.11720	2.5
231.13803	14.8
233.13210	6.6
233.15303	2.7
234.13992	2.4
235.14793	8.7
236.11862	1.9
236.15540	2.3
237.12788	3.9
237.16399	6.9
239.14288	5.3
239.17993	4.5
241.15778	4.2
245.13200	2.3
245.15430	2.5
246.14017	1.9
247.11078	2.4
247.14882	4.1
248.11903	1.6
248.15628	2.2
249.16748	7.7
251.14323	3.0
251.18001	5.8
253.15837	4.2
253.19807	1.8
257.13150	2.5
259.14902	2.1
261.12729	2.8
261.16516	1.7
262.13437	3.8
263.14285	4.0
263.18024	9.5
265.15933	6.9
266.16541	2.9
267.17477	6.4
273.16373	2.2
275.14505	2.4
275.17706	2.0
276.14960	2.9
277.15823	9.9
277.18713	1.6
279.17606	7.7
281.19080	9.5
287.14313	2.2
289.19342	2.5
291.17438	8.9
293.18997	6.3
295.16977	2.4
297.18579	3.0
299.20068	2.1
301.15872	2.9
303.17700	2.0
303.21255	2.1
305.18991	4.1
307.17215	2.9
307.20483	3.4
309.18280	2.1
315.17542	3.8
317.18985	25.2
319.20584	3.1
321.22186	11.4
323.20126	2.0
325.18094	2.2
325.21686	2.4
331.20581	13.1
333.18469	8.3
333.22089	2.7
335.20056	3.9
345.18427	2.2
345.22150	14.6
347.23703	15.6
349.21622	6.9
357.22116	24.2
363.23166	7.9
365.24725	6.0
367.22559	2.3
375.23224	77.7
393.24265	100.0
411.25311	15.7
479.25861	1.7
497.26831	4.0
515.27844	6.7
533.28900	13.6
533.36505	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	533.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
53.81425	1.0
55.01870	2.7
55.05511	4.8
57.03437	4.1
57.07061	2.0
58.68595	0.9
59.04994	2.0
64.49087	0.9
64.53160	0.9
67.05507	7.8
69.03433	9.6
69.07079	8.4
69.38192	8.8
71.04996	5.6
73.02922	1.7
79.05492	5.7
81.03426	8.4
81.07061	13.6
83.04987	7.8
83.08622	4.1
85.02908	36.9
85.06538	6.5
85.36196	0.9
91.05475	8.9
93.07051	17.7
95.04977	5.8
95.08614	20.7
97.02888	12.4
97.06539	4.1
97.10128	1.1
99.04469	22.0
99.08101	12.3
100.31857	1.0
103.03949	37.6
103.72463	1.0
105.07050	10.9
107.04954	6.8
107.07873	1.7
107.08604	36.0
109.02879	9.8
109.06531	10.0
109.10159	11.7
111.08087	4.8
117.07031	2.5
118.07780	1.4
119.08570	6.9
121.06513	16.1
121.09324	1.9
121.10159	27.7
123.08081	16.3
123.11686	3.2
125.05987	3.0
125.09629	6.0
127.03929	45.3
131.08553	10.7
133.10138	21.1
135.08054	13.7
135.11696	6.0
137.06000	4.2
137.09627	8.8
139.07550	1.9
139.11203	2.6
143.08542	1.3
144.71286	1.0
145.04970	25.6
145.10138	3.4
147.11719	7.2
149.09630	54.0
149.13255	13.4
151.07581	1.1
151.11186	15.2
153.09091	5.3
158.10957	2.0
161.13271	1.3
163.06015	18.4
163.11183	2.9
163.14830	25.2
165.12756	1.0
173.13266	19.2
179.14253	1.4
187.06013	3.2
187.11147	1.2
191.14314	62.1
201.05565	3.5
205.06999	2.3
209.15373	100.0
227.16440	6.4
271.08246	2.1
289.08765	1.6
307.10248	3.7
335.08829	1.2
372.75790	1.3
378.52924	1.3
400.72363	0.9
414.56650	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07989	3.1
53.03950	3.1
53.40222	3.1
55.01865	25.5
55.05501	9.9
57.07837	3.0
58.17844	2.6
58.21003	2.7
61.51540	2.5
63.51162	2.5
65.03938	2.7
67.05499	17.2
69.03438	17.1
69.07067	14.8
70.83736	7.0
71.04982	4.6
72.26743	2.9
73.02921	32.4
73.39848	2.7
76.10175	3.0
79.05500	22.1
81.03407	8.7
81.07065	21.7
83.04981	14.0
85.02895	9.8
85.06550	4.8
87.29060	3.1
91.05484	30.9
93.07047	28.3
95.04980	20.5
95.08618	17.2
97.02905	7.3
97.06532	18.1
99.04457	6.7
100.11223	3.2
101.06025	6.2
103.05444	3.3
105.04539	3.3
105.07034	34.4
107.04952	8.7
107.08610	26.0
109.02890	6.0
109.06517	39.0
109.10140	9.1
111.04460	4.6
111.08081	3.4
115.05508	4.5
115.07580	6.8
117.07021	14.6
119.08576	52.2
121.06525	9.3
121.10165	16.1
121.10909	3.1
123.08086	25.8
123.11749	3.9
127.03915	11.1
128.06239	6.2
129.07001	9.4
131.08615	19.7
133.06500	8.4
133.10141	26.1
135.08052	23.1
137.06000	9.6
137.09604	7.2
141.06993	5.6
142.07761	14.4
143.08548	19.6
145.06488	10.2
145.10135	28.1
147.08064	28.0
147.11694	12.5
149.09659	15.0
151.03926	4.0
151.07536	6.9
153.07002	6.0
153.09122	4.5
155.08542	18.1
156.09398	16.9
157.10143	29.7
158.07217	6.3
159.08076	29.0
159.11705	13.4
161.06029	4.4
161.09621	31.7
161.13234	7.3
163.11237	4.9
165.07024	8.0
165.09077	18.3
167.07053	8.8
167.08588	14.7
168.09453	3.1
169.10156	21.5
170.10857	7.2
171.08075	9.6
171.11682	24.4
172.08824	4.3
173.09641	41.7
173.13322	7.8
175.07576	7.3
175.11191	10.2
177.09062	7.9
179.08548	14.3
180.09341	6.0
181.10117	11.4
182.07170	4.1
182.10883	11.3
183.08026	18.6
183.11734	17.2
184.08806	9.7
185.09627	37.3
185.13255	11.2
187.07530	6.5
187.11163	12.5
189.09073	7.1
189.12819	5.9
192.09346	7.5
193.10120	17.1
194.10936	6.7
195.08086	11.1
195.10091	5.9
195.11693	29.9
196.08820	9.4
196.12495	3.8
197.09669	22.0
197.11496	4.4
197.13228	23.1
198.10484	15.6
199.11185	60.5
200.11954	32.5
201.09102	35.1
201.12807	9.3
203.10602	6.0
204.09338	3.4
205.10231	5.6
206.10899	11.3
207.08443	3.6
207.10036	14.0
207.11803	23.1
208.12424	6.7
209.09624	8.3
209.13203	16.6
209.15057	3.6
210.10426	14.9
211.11185	17.8
213.12741	75.2
215.10799	6.6
215.14311	28.7
217.10146	6.3
218.11116	3.3
219.11691	10.9
220.12471	8.7
221.09692	4.4
221.13354	19.3
222.10446	6.6
222.14049	5.7
223.11328	17.4
223.14784	9.9
224.12016	4.7
225.12758	50.4
225.16287	3.5
227.10643	5.0
227.16382	7.7
229.10088	4.1
229.12225	4.5
230.10866	4.1
231.11717	11.9
231.13730	5.6
232.12433	7.6
233.09715	3.8
233.11549	5.1
233.13475	5.3
234.10483	3.8
235.11139	8.2
235.14781	11.9
236.11929	5.5
237.12849	16.8
237.16376	10.5
239.14296	10.0
241.12228	7.1
243.11368	5.0
243.13829	100.0
245.13260	10.6
246.14021	7.8
247.11148	4.8
247.14919	9.0
248.11960	7.0
249.12857	15.0
249.16504	7.3
250.13449	5.4
251.14331	10.3
253.15874	11.2
255.14052	3.6
259.11115	3.7
259.15042	3.6
259.27475	3.0
261.12527	5.3
261.16327	12.3
263.11786	3.0
263.14276	24.0
263.17590	4.4
264.15039	8.7
265.15817	21.6
267.12262	12.5
271.14926	5.1
273.14832	3.7
274.13525	5.3
277.15881	7.2
279.17450	29.7
281.15430	8.4
287.17661	3.4
289.15802	13.2
289.18951	3.5
293.15500	5.8
293.18826	3.7
299.16367	8.9
303.16150	11.8
305.19025	14.0
307.16891	30.6
319.16879	3.9
321.18381	3.2
323.19983	14.3
325.18130	7.1
331.20502	6.5
335.20041	11.3
337.18115	4.8
347.20041	11.9
349.21655	9.7
351.19568	11.7
353.20947	5.3
359.19901	7.4
365.21136	8.2
367.22781	10.6
371.15735	4.5
377.21036	30.8
383.22141	7.2
385.19836	4.2
395.22202	74.0
413.23401	22.0
430.56732	3.5
437.23239	11.7
454.37512	3.8
455.24377	75.0
473.25287	11.0
515.26520	50.5
533.28107	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	533.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.9
55.01878	17.5
55.05508	13.3
67.05511	24.9
69.03445	39.0
69.07069	20.3
71.04997	21.0
71.55399	6.8
71.55782	7.1
73.02912	6.1
74.35334	5.2
79.05496	36.8
81.03420	46.8
81.07059	27.5
83.04987	18.3
85.02907	64.3
85.06535	9.9
91.05472	36.0
93.07042	44.5
95.04964	51.2
95.08606	23.5
97.02892	21.7
97.06519	17.0
99.04463	84.2
103.03958	59.9
103.05479	10.3
105.07044	69.0
107.04960	23.0
107.08614	32.8
109.02879	22.8
109.06509	16.7
109.10175	16.2
111.08095	6.0
113.09651	5.4
115.05449	9.0
117.07014	14.9
119.04945	8.1
119.08583	50.6
121.02855	19.1
121.06515	21.9
121.10144	22.2
123.04430	17.4
123.08061	27.0
123.11697	5.5
125.06017	14.8
125.09643	5.5
127.03918	92.4
128.06224	16.9
129.07004	16.3
130.07814	8.6
131.08588	47.1
133.06525	26.0
133.10129	43.3
135.04424	12.3
135.08075	18.3
135.11693	5.9
137.05986	23.1
137.09662	6.1
141.06978	9.1
142.07782	17.7
143.08591	40.0
145.04993	38.1
145.06491	18.2
145.10130	38.5
147.08070	35.1
147.11697	20.4
149.05989	24.7
149.09621	24.9
151.07552	22.7
151.11224	11.9
153.06981	6.1
155.08539	16.2
156.09366	16.9
157.06497	5.4
157.10074	32.3
158.07265	6.2
159.08081	44.7
159.11708	13.6
161.06009	20.1
161.09636	21.2
163.06041	27.0
163.07474	11.0
163.11142	6.2
165.05472	14.6
165.07024	6.6
165.12813	7.4
167.07133	8.2
167.08598	9.7
168.09349	7.8
169.06570	7.5
169.10132	21.3
169.12283	8.3
170.10904	5.7
171.08054	23.4
171.11702	45.9
172.08856	14.8
173.09624	49.2
173.13202	26.4
175.07564	23.5
175.11206	19.9
177.05479	17.4
177.09093	8.9
179.07021	14.9
179.08455	7.7
180.09317	8.6
181.10052	12.7
183.08037	8.8
183.11717	31.9
183.13647	8.0
184.08925	8.3
185.09595	26.6
185.13260	17.8
186.10365	7.7
187.07578	7.9
187.11201	24.4
189.09105	13.3
189.12865	9.0
191.07117	7.8
191.14285	12.9
193.10074	9.5
195.11728	20.8
197.09627	68.7
197.13219	13.3
198.10397	10.7
199.07520	10.3
199.11212	44.0
200.11990	15.5
201.09126	14.7
201.12752	43.9
203.10593	11.7
205.10286	6.2
205.12215	9.8
207.11797	10.4
209.09734	5.8
209.13405	8.4
209.15407	19.4
210.10315	6.4
211.11208	19.5
213.09120	13.7
213.12794	27.3
215.10657	34.9
215.14229	5.9
217.08591	10.9
217.12306	9.3
221.09679	6.7
221.11522	6.6
221.13419	9.0
223.11191	17.0
225.12790	21.5
227.10692	17.2
227.16429	83.2
229.12234	8.6
231.09987	6.7
231.13814	14.1
232.12494	6.4
233.11674	14.8
235.11316	8.9
237.12811	9.9
239.10657	8.6
239.14233	7.1
241.12216	76.1
243.13805	37.1
245.11594	8.6
249.12798	12.0
251.14317	9.2
253.12303	12.5
255.13867	7.6
257.11697	8.0
259.13269	63.2
265.12311	6.8
271.13113	13.2
277.14410	23.0
281.15466	5.8
283.13498	6.4
299.12991	7.5
301.14383	100.0
307.16785	6.7
315.16165	7.8
319.16882	9.8
331.15356	13.9
337.17831	13.0
343.15576	8.2
361.16653	9.9
373.17987	6.7
377.17188	10.1
391.19022	7.5
393.18665	6.6
395.22433	7.3
397.20090	11.2
401.17307	12.9
419.18500	41.3
437.19525	56.0
455.19983	26.0
479.20551	15.4
497.21826	42.4
515.22766	42.1
533.23785	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01867	2.9
67.05493	3.7
69.03439	1.7
70.06788	3.4
79.05500	4.8
80.97894	0.8
81.03417	3.6
81.07055	2.9
83.04963	1.9
91.05483	5.1
93.07039	3.0
95.04975	7.6
95.08607	1.7
97.06557	1.6
102.07945	0.8
103.05411	1.0
105.03447	1.0
105.07039	8.6
107.04919	2.0
107.08616	1.7
109.06509	3.0
111.04425	1.1
111.08100	0.9
115.05479	1.1
117.07021	3.5
119.04902	1.1
119.08588	4.4
120.89994	0.8
121.02934	1.2
121.06509	3.3
123.04446	1.8
128.06230	2.1
129.07013	2.9
130.07739	1.1
131.04906	1.9
131.08597	6.1
133.06493	6.1
133.10150	2.2
135.04437	1.8
135.08067	2.9
137.05972	2.2
137.91072	0.8
139.03917	1.8
141.06976	1.8
142.07809	2.0
143.08563	4.8
145.06487	5.9
145.10127	3.1
147.08038	3.2
149.05968	1.4
151.07518	1.3
154.07677	0.9
155.08543	2.8
156.09343	1.4
157.06516	2.2
157.10143	4.3
158.07347	1.7
159.04398	1.2
159.08075	6.5
159.11679	1.9
161.05969	6.9
161.09621	2.4
163.07536	4.7
165.07008	1.5
167.07033	0.9
167.08536	1.8
169.06474	1.0
169.10130	3.0
171.04341	1.0
171.08104	3.4
171.11659	3.9
172.08815	1.4
173.09618	14.9
173.13390	1.3
175.07527	1.4
175.11176	1.7
177.05441	1.7
179.07095	1.1
179.08484	1.2
181.10132	2.7
183.08061	3.0
183.11633	1.1
184.08873	1.4
185.06120	1.2
185.09624	7.7
186.06779	1.2
186.10490	1.1
187.07558	11.5
187.11165	2.7
189.09111	2.7
189.12830	1.0
193.10138	1.5
194.07413	0.9
195.08026	1.2
196.08881	0.9
197.09615	9.6
198.10408	1.5
199.07552	6.2
199.11166	9.0
200.11903	1.4
201.09055	2.2
201.12756	7.3
203.06949	1.0
203.10652	2.1
203.77460	1.0
205.12262	0.9
209.09683	2.1
211.07690	0.9
211.11137	1.9
213.05533	1.2
213.09091	5.9
213.12762	0.9
215.07030	1.1
215.10703	4.5
217.08582	2.5
217.12199	1.7
219.13805	3.5
223.07687	1.3
225.09128	7.0
225.12727	1.6
227.10667	8.3
229.08614	1.3
229.12285	2.2
231.06624	2.1
231.10164	3.1
237.09090	1.0
237.12723	1.2
239.10628	1.3
241.08525	1.3
241.12337	1.7
243.10057	4.4
245.08058	8.4
245.11642	4.6
246.08932	4.8
249.11147	1.9
253.08577	4.7
255.10065	1.0
257.11768	3.8
259.09372	1.1
265.12436	0.8
271.09485	1.0
273.11191	1.9
274.15555	1.1
285.11154	2.5
287.12860	4.3
303.12262	100.0
304.12872	1.5
305.13840	26.6
337.16476	11.8
359.15207	1.4
377.16913	1.4
393.16705	1.1
397.20065	3.4
405.16733	1.8
411.17932	1.3
423.18011	13.2
433.16412	1.0
435.17682	1.4
437.19342	1.2
453.18735	2.6
465.18893	2.0
471.20074	8.9
483.20142	15.1
494.27106	0.9
501.21106	6.0
515.22485	1.1
533.23785	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	533.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.05515	21.8
57.07029	4.4
67.05491	18.9
69.03412	14.1
69.07084	6.0
69.27379	31.3
69.27782	8.7
79.05497	28.7
81.03397	10.7
81.07057	31.6
83.05005	28.7
85.02898	8.6
85.06586	4.8
91.05492	38.2
93.07059	27.0
95.04958	21.1
95.08595	18.9
97.06525	8.8
98.06071	5.1
98.21465	8.2
103.05455	15.3
105.07042	100.0
107.04971	11.6
107.08593	21.4
109.06511	14.4
109.10133	11.6
115.05450	10.3
116.10749	7.4
117.07031	22.6
119.04942	4.2
119.08596	62.8
121.06481	15.2
121.10172	24.7
123.08022	7.6
127.03944	8.6
128.06245	11.9
129.07036	20.4
131.04927	11.8
131.08566	45.2
133.06534	33.1
133.10138	54.7
135.04419	4.3
135.08063	14.7
135.11679	6.8
137.05974	5.5
141.06967	8.5
142.07751	16.9
143.08606	37.9
144.09279	6.6
145.06459	16.0
145.10120	30.2
147.08078	22.8
147.11696	6.9
149.05919	6.6
149.09601	12.3
151.07567	7.6
153.06972	8.1
154.07799	4.6
155.08565	20.1
156.09380	23.1
157.06493	6.7
157.10123	57.3
159.04384	8.6
159.08061	27.1
159.11671	26.6
161.06000	50.3
161.09621	20.9
161.13295	5.5
163.07549	21.2
165.06993	7.0
165.09096	7.2
167.08551	12.8
168.09264	5.2
169.10158	24.9
170.10899	17.9
171.08090	21.1
171.11702	82.9
172.08882	5.2
173.06117	5.7
173.09659	30.1
173.13242	12.3
175.07547	19.0
175.11180	11.3
177.05399	5.2
177.09079	13.6
179.07164	8.2
179.08536	10.0
179.10634	6.6
180.09364	6.6
181.10114	15.0
182.10910	6.2
183.08078	12.4
183.11697	63.3
185.09641	28.2
185.13263	56.3
186.10217	5.8
187.03851	6.6
187.07578	10.6
187.11151	30.2
189.05464	12.2
189.09123	13.8
189.12776	9.0
191.10677	12.4
193.08528	5.9
193.10156	12.5
194.10869	7.9
195.07950	5.5
195.11745	24.3
196.12328	4.0
197.09625	14.3
197.13255	12.0
198.10349	10.1
199.07603	4.8
199.11197	29.3
200.11894	9.9
201.09158	7.3
201.12752	24.7
202.71581	4.9
203.08766	5.0
203.10654	11.4
203.14215	5.9
205.10141	11.6
205.12259	5.2
207.11671	13.7
208.12595	4.7
209.09731	5.7
209.13219	17.6
211.11176	15.8
213.09126	12.5
213.12758	52.3
214.17995	20.6
215.10745	14.8
215.18385	15.6
217.08461	11.7
217.12212	7.7
218.10840	5.5
219.11845	8.2
220.12407	7.8
221.13298	8.5
221.16559	4.7
222.13998	4.5
223.11189	10.9
225.12723	17.1
229.12242	15.2
230.10938	6.1
231.10153	15.9
231.13780	37.3
232.12466	7.5
233.11533	6.8
233.13470	7.8
234.13875	5.8
235.11174	9.4
235.14861	7.2
237.12772	6.0
237.16428	8.8
239.10603	10.7
241.12215	18.5
243.11729	8.4
243.13831	11.6
244.12453	8.3
245.13341	8.6
246.14058	5.4
247.11179	7.2
247.15028	8.5
249.12663	8.0
253.12236	5.7
255.11852	8.2
257.11435	5.2
257.13553	7.1
258.14099	6.9
259.13107	42.7
260.15482	5.4
261.12744	8.6
263.14304	9.2
265.12244	6.3
269.13177	6.4
270.14056	9.7
271.11276	5.0
271.14792	13.7
272.15701	7.4
275.12512	6.7
275.17874	6.3
277.14240	22.0
283.11270	5.8
285.12607	7.6
285.16306	12.5
287.14386	8.1
287.17926	6.3
289.15805	8.5
291.13528	7.7
297.12869	4.8
299.14304	6.3
303.13773	8.7
312.15097	8.9
313.15704	13.7
315.13831	8.5
317.15430	5.6
321.18570	6.1
323.86383	4.8
327.17429	6.0
329.15384	7.9
331.16895	19.1
345.18408	14.8
347.19998	5.2
349.17908	6.9
355.16907	15.7
357.17908	4.9
359.16403	15.4
363.19431	10.3
371.26123	5.3
373.17984	28.4
375.15317	5.8
375.19720	5.7
377.17499	13.4
383.16321	8.7
389.17416	7.8
391.18967	31.5
395.18405	6.2
401.17313	25.0
409.20062	20.8
419.18524	82.5
425.19598	4.7
433.19724	4.4
437.19568	89.9
440.90146	4.6
455.20618	44.0
473.21420	9.1
479.20422	9.8
497.21622	19.6
515.22827	36.0
533.25226	26.8
533.32733	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92482	0.9
51.02380	1.0
53.03955	2.4
55.01870	2.6
55.05509	4.2
55.90918	0.9
57.03444	1.4
60.76319	0.9
61.02916	1.1
64.99259	1.2
67.05504	5.1
69.03436	4.1
69.07078	3.6
69.79212	4.6
73.18907	0.8
79.05496	6.5
81.03427	6.3
81.07047	4.7
83.04990	3.8
85.02910	2.6
91.05458	5.1
93.07041	6.7
95.04977	7.5
95.08600	5.0
97.02889	1.8
97.06559	2.1
97.10202	1.2
99.04427	1.5
103.05486	2.0
105.07043	12.1
107.04971	4.3
107.08629	3.1
109.02892	1.7
109.06528	6.3
109.10194	2.2
111.04457	1.1
111.08106	1.9
115.05457	2.5
117.07051	3.6
119.04968	1.9
119.08582	6.1
121.06538	3.2
121.10144	2.7
123.04455	1.3
123.08083	1.9
125.06027	1.9
127.03894	1.8
128.06267	2.8
129.07050	3.4
130.67070	1.0
131.04948	2.2
131.08560	6.2
133.06514	6.7
133.10144	5.0
135.04416	1.5
135.08102	3.7
137.06012	2.1
141.07054	2.5
142.07823	2.7
143.08603	4.6
145.06487	4.8
145.10097	5.1
147.08069	3.3
147.11740	2.7
149.06003	2.3
149.09674	1.4
151.07594	2.0
153.05711	1.1
153.07033	1.5
155.08606	2.7
156.09451	2.8
157.06564	1.6
157.10112	5.0
158.07318	1.7
159.08099	6.5
159.11734	3.4
160.08846	1.0
161.05995	8.1
161.09677	2.8
163.07552	5.5
163.11230	1.1
165.09193	1.2
166.07681	1.3
167.08543	1.4
169.10193	4.6
171.08147	4.1
171.11684	7.3
173.09634	17.8
173.13319	2.5
175.07571	1.6
175.11234	1.5
179.07089	2.6
179.08553	1.1
181.10139	3.2
183.08151	1.6
183.11746	3.7
184.08932	1.8
185.06064	1.4
185.09608	8.4
185.13330	3.4
186.06839	1.8
187.07570	14.9
187.11264	4.0
189.05478	1.8
189.09232	3.2
189.12891	1.4
191.10760	1.4
193.10156	1.6
195.08105	1.2
195.11703	1.4
197.09660	10.2
197.13463	1.3
198.10477	1.5
199.07591	8.6
199.09607	1.5
199.11180	8.8
200.11938	1.3
201.09192	2.1
201.12743	6.8
203.07141	2.4
203.10678	3.2
207.11826	1.5
209.09747	2.8
209.13335	1.2
211.11264	1.7
213.05576	1.9
213.09166	5.6
213.12851	3.5
215.10693	6.1
217.08612	2.2
217.12247	2.1
219.11885	1.3
219.13846	4.0
221.13403	1.8
223.11264	1.7
225.09160	6.9
225.12756	2.1
227.07155	1.4
227.10724	7.7
229.08632	2.4
229.12311	2.7
231.06537	1.4
231.10223	2.5
231.13954	1.4
239.10764	2.1
241.12297	2.1
243.10245	2.9
245.08167	8.1
245.11603	5.7
246.08716	4.8
249.11325	1.2
253.08549	5.1
255.10149	1.1
257.11865	3.1
259.13297	1.7
271.09814	1.1
273.11316	3.1
285.11475	2.0
287.12674	5.5
303.12277	100.0
304.12900	1.4
305.13834	23.9
319.15848	1.3
321.13635	1.2
331.17148	1.3
337.16391	11.3
359.16013	1.6
377.16617	1.8
391.19278	1.2
397.20224	3.5
423.17972	12.1
437.19836	1.7
453.19089	3.8
455.20981	3.2
465.19354	3.1
471.20224	7.2
483.20126	11.9
501.20621	5.3
515.22668	1.2
533.27338	83.7
534.04816	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	12.7
67.05508	20.2
69.03430	43.9
69.07061	13.3
71.04982	4.2
73.06577	4.1
79.05489	9.4
81.07071	24.2
87.65255	4.2
91.05476	11.7
93.07042	22.3
95.04964	28.0
95.08617	38.3
97.06538	7.3
98.21504	10.2
105.07028	19.1
107.04882	4.2
107.08608	36.0
109.10170	20.2
117.07017	4.6
119.08598	22.8
121.10136	21.3
123.11713	15.5
124.01815	4.3
131.08566	13.0
133.10124	19.8
135.11700	20.0
137.09612	5.5
143.08554	9.7
145.10109	20.7
147.11664	12.0
149.13246	9.5
157.10161	13.3
159.11708	26.9
161.13283	37.8
163.14777	7.0
169.10077	4.9
171.11765	11.0
173.13229	16.6
175.14841	12.9
183.11728	8.6
185.13286	14.2
187.14880	19.4
189.16380	7.8
195.11891	4.4
197.13409	7.6
199.14871	12.5
200.15857	4.1
201.16400	10.5
213.16443	14.3
215.18030	10.7
225.16405	8.2
227.17993	8.9
229.15909	6.7
229.19489	18.9
241.19525	8.9
243.21152	18.0
255.21101	6.5
265.19577	5.8
285.22131	6.7
297.22528	4.3
297.25760	61.2
311.23749	6.7
313.25259	12.7
315.26837	51.4
339.26825	8.0
347.27142	6.4
365.28284	38.6
383.29471	100.0
385.30820	5.9
419.33142	8.3
437.34055	17.0
455.35159	30.6
472.98767	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	532.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
55.05514	12.9
57.03423	3.3
57.07065	5.5
61.02918	6.2
61.65123	2.1
67.05508	69.9
69.03408	2.8
69.07069	9.2
69.26715	21.8
71.04984	4.1
71.65084	2.5
79.05061	4.3
79.05492	55.1
81.07060	62.4
83.08620	8.1
85.02894	7.3
91.05473	21.9
93.07043	59.9
94.83627	2.3
95.04984	3.2
95.08610	57.5
97.02898	4.9
97.06506	3.7
105.07025	18.8
107.08597	40.5
109.10156	34.2
117.07002	11.8
119.08585	17.9
121.10133	35.4
123.11717	19.0
127.03889	2.5
131.08559	23.9
133.10141	17.2
135.11697	24.1
137.13271	7.1
145.10138	18.7
147.11710	15.2
149.13264	21.4
151.14865	3.0
159.11687	16.5
161.13266	9.4
163.14813	19.2
165.12779	2.7
173.13295	16.9
177.16447	6.7
179.14310	2.9
187.14833	9.0
201.16385	4.0
233.22748	3.8
243.21074	32.6
261.22147	100.0
279.23209	3.3
303.37473	2.1
335.25839	16.7
353.26849	36.9
369.24216	4.1
405.26428	2.9
423.27374	3.0
465.63348	2.4
501.51807	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	532.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
55.01868	15.5
67.05498	9.6
68.04227	4.3
69.07057	6.0
70.49300	7.9
70.49673	10.2
79.05492	9.3
81.03414	13.9
81.07061	13.2
83.04997	5.6
91.05499	27.5
93.07071	10.3
95.04977	8.6
95.08599	5.5
96.47763	5.0
103.05460	5.7
105.07043	12.6
107.04967	7.3
107.08600	12.5
109.06544	4.9
115.05464	8.4
117.07046	17.5
119.08583	26.7
121.10146	6.5
125.11122	4.1
128.06201	4.9
129.07019	16.6
131.08609	18.0
133.06528	7.0
133.10146	26.0
135.08080	8.9
142.07779	5.7
143.08554	18.5
143.09619	4.6
145.06499	17.3
145.10127	15.4
147.08058	100.0
147.11714	8.7
149.09589	8.2
155.08511	5.8
156.09320	9.6
157.10155	32.5
159.08101	32.4
159.11707	17.5
161.09674	34.2
163.07579	29.1
163.50160	5.2
169.10175	10.2
170.10965	7.9
171.08034	9.3
171.11722	57.5
173.06033	8.7
173.09676	19.8
173.13275	7.6
175.07599	11.3
176.20987	4.8
180.30316	5.3
181.10022	5.6
183.11714	19.9
185.09665	7.8
185.13278	51.5
187.11192	13.7
189.12843	6.1
191.10785	5.7
195.11813	8.6
197.13222	5.5
199.11229	18.9
201.09125	4.4
201.12732	7.5
213.12772	39.3
215.10626	5.5
229.12425	5.9
231.13828	14.0
233.15285	4.8
237.12970	6.2
241.12222	10.1
245.15471	30.1
251.14488	4.9
254.12503	5.5
255.13902	9.1
259.13315	17.2
263.16330	8.0
273.14911	21.8
275.14270	5.5
291.16013	13.9
302.16922	6.1
311.14322	9.0
312.46768	5.5
317.19022	9.4
327.17386	10.6
341.19135	6.8
345.18408	6.1
359.20087	14.1
377.20996	4.7
387.19565	7.5
391.22787	8.4
401.21069	14.7
405.20688	9.6
419.22253	28.1
437.23395	46.5
455.24286	13.1
479.24335	10.5
483.23849	16.0
497.25424	17.8
511.86868	4.9
515.26611	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.4
53.03932	4.9
54.32576	1.1
55.01881	6.2
55.05513	20.9
57.03427	4.5
57.07074	5.9
64.49003	1.2
65.03933	4.6
67.05508	92.9
69.03415	3.3
69.07069	20.9
71.05006	7.0
71.55352	1.9
79.05495	56.7
81.03400	4.0
81.07060	84.9
83.04982	10.3
83.08635	7.9
85.06545	7.6
87.04486	9.8
88.04826	1.8
89.03893	1.4
91.05482	63.0
93.07047	58.8
95.04972	7.4
95.08612	33.5
97.06546	5.9
97.10150	3.4
99.04471	2.9
99.18778	1.2
105.04512	2.1
105.07037	62.6
107.04933	2.0
107.08597	60.4
109.06535	7.4
109.10159	73.3
111.08105	2.5
113.06034	3.3
115.05385	1.2
115.07612	1.3
117.03356	2.2
117.07025	6.8
119.08588	17.2
121.09314	1.8
121.10149	17.3
123.08068	2.6
123.11720	15.1
125.09608	2.9
127.07566	3.3
128.39767	1.4
129.06987	1.8
131.08589	14.0
133.10138	89.2
135.08054	1.8
135.11707	12.7
137.09593	1.8
143.08546	2.7
145.02829	6.0
145.10136	9.9
147.08168	1.5
147.11693	6.6
149.09578	1.2
149.13258	7.9
151.11191	45.8
153.12657	1.6
157.10143	1.8
159.11711	8.7
161.09641	1.4
161.13261	3.3
163.14847	2.5
169.12260	14.2
171.11720	2.8
173.13284	4.4
175.14763	1.2
177.05464	16.8
177.16431	1.7
179.10661	1.4
179.14337	1.8
181.10054	1.4
185.13257	1.6
187.14809	2.2
197.13303	1.5
201.16394	1.2
215.12820	4.8
243.21078	5.3
253.14362	87.8
260.32925	1.5
261.22159	26.5
288.94815	1.1
293.18710	1.3
314.82306	1.3
315.23035	1.7
317.24814	5.6
411.32861	1.5
421.30927	2.3
439.32104	4.3
441.04898	1.3
447.34705	1.6
457.33145	4.7
513.35687	13.8
531.36926	100.0
532.37415	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.5
53.12638	2.4
53.79546	2.4
55.01872	3.4
55.05519	70.5
59.45653	2.3
67.05503	16.3
69.03417	6.0
69.07056	5.4
69.22813	5.9
69.23219	20.0
73.61665	2.5
79.05132	2.7
79.05503	31.9
81.03413	2.9
81.07066	55.5
83.04990	97.7
83.08599	4.7
91.05500	25.5
93.07056	27.7
95.04977	10.8
95.08611	66.5
96.76303	2.4
97.06512	7.9
103.23651	2.6
105.03383	3.6
105.07040	35.3
107.04947	11.6
107.08597	30.1
109.06544	24.3
109.10175	7.7
111.08099	3.6
113.05974	3.6
115.05482	2.6
117.07034	9.9
119.04971	3.1
119.08603	41.1
121.06496	6.2
121.10170	13.6
123.08083	8.9
128.06201	6.4
129.07001	9.9
131.08601	22.0
133.06429	3.1
133.10152	35.2
135.08054	8.8
135.11681	3.6
141.06969	8.8
142.07764	13.3
143.08580	28.7
144.09328	4.5
145.06468	3.3
145.10144	26.7
147.08051	11.4
149.09610	11.6
150.99754	3.1
153.07016	5.1
154.07738	3.3
155.08549	13.2
156.09312	22.1
157.10150	60.2
159.08095	14.2
159.11711	24.2
161.09615	19.2
163.11150	7.9
165.07048	6.1
165.09123	3.4
166.07755	3.1
167.08534	7.7
168.09331	9.1
169.10152	47.5
170.10898	21.2
171.08075	8.0
171.11707	100.0
173.09647	20.1
173.13249	10.5
175.11229	8.8
179.08533	7.2
179.10710	5.4
180.09363	6.7
181.10156	15.0
182.10902	6.6
183.08122	5.9
183.11699	55.2
185.09694	13.6
185.13286	79.2
187.11209	21.4
187.14827	3.0
189.12830	5.3
191.08679	3.1
191.10641	3.9
192.09424	6.1
193.10175	13.4
193.12238	7.8
194.10901	7.4
195.11690	31.5
196.12491	3.2
197.09636	12.4
197.13264	25.0
198.10439	4.6
199.11191	29.5
199.14833	3.0
201.09158	3.4
201.12746	6.3
203.08682	3.4
203.10632	3.2
205.10109	9.2
205.12180	5.8
206.10919	6.6
207.11700	25.2
208.08752	3.2
208.12468	6.4
209.09691	5.7
209.13274	31.4
211.11212	9.9
211.14861	7.8
213.12761	58.7
215.10738	5.8
215.14313	3.4
217.10184	8.8
217.12187	7.2
218.10852	8.1
219.11748	17.7
219.13687	4.3
220.12495	8.7
221.13358	19.2
222.14070	4.3
223.11115	9.1
223.14833	23.5
225.12749	8.6
229.12257	10.9
231.11681	23.7
231.13866	15.5
232.12514	10.3
233.13414	17.5
233.15427	5.0
234.14029	8.5
235.14861	17.1
236.15630	5.4
237.12691	11.9
237.16422	10.4
239.14279	6.4
241.12215	15.1
243.13847	17.4
245.13243	11.9
245.15446	44.2
246.14049	24.0
247.14964	15.2
248.15663	2.7
249.12749	4.4
249.16418	18.7
250.17056	2.6
251.14218	6.0
251.15504	2.8
251.18019	37.1
255.13818	11.3
257.11603	21.8
257.15451	5.8
259.13306	9.3
260.15625	11.0
261.12628	2.7
261.13632	4.0
261.16446	60.1
262.17194	7.1
263.14163	2.9
263.18253	6.1
265.19547	19.6
267.17401	3.8
269.19073	4.1
271.13293	5.1
273.14914	20.5
275.18036	46.7
277.15802	4.3
279.17401	32.1
281.15506	4.9
281.18951	3.5
288.15103	4.7
289.14279	3.4
291.16074	9.8
293.19000	43.3
295.17020	5.2
303.17493	18.4
307.11313	3.0
309.18369	6.1
311.20044	10.2
321.18561	33.3
323.20020	3.8
325.21613	31.0
335.20068	45.0
339.19644	18.0
341.21320	3.9
343.22583	4.0
353.21140	63.5
371.22318	30.9
381.20502	3.8
391.22626	2.8
395.22595	2.8
399.21402	4.5
413.23419	3.4
431.24295	4.2
435.24103	2.8
531.28503	4.8
531.36517	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	531.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.1
55.05521	28.9
64.55864	2.1
67.05495	7.0
69.03423	3.1
69.07072	3.7
69.46850	17.8
79.05505	26.4
81.07067	37.2
83.04987	52.4
91.05483	11.3
93.07033	19.1
95.04967	7.6
95.08607	20.5
97.06534	4.4
105.07049	20.5
107.04969	20.2
107.08592	19.8
109.06508	15.8
117.07008	4.7
119.08575	19.5
121.06508	3.3
121.10130	9.0
121.50119	2.3
123.08041	4.3
128.06218	3.3
129.07056	6.5
131.08571	10.5
133.06471	4.3
133.10153	24.4
135.08070	9.3
141.06989	5.8
142.07788	8.4
143.08572	18.8
144.09367	2.9
145.10129	17.4
147.08058	5.5
147.11702	3.0
149.09648	8.2
154.59756	2.3
155.08556	12.4
156.09363	17.4
157.10146	36.5
159.08058	4.8
159.11699	13.1
161.09627	11.7
163.11234	2.6
165.07101	5.1
167.08597	4.5
169.10130	20.3
170.10855	16.0
171.08119	4.4
171.11703	100.0
173.09639	9.6
173.13260	7.1
175.07494	2.5
175.11176	6.4
177.09317	2.6
179.08542	4.5
180.09358	5.4
181.10143	8.2
182.10933	3.5
183.08073	3.3
183.11716	31.4
185.09619	8.9
185.13274	79.9
187.11154	8.3
187.14894	5.3
193.10181	6.4
193.12299	5.0
194.11060	3.4
195.10117	3.1
195.11732	26.0
197.09648	4.0
197.13297	13.7
199.11255	17.9
200.11984	4.1
201.12718	6.9
204.09383	2.5
205.10260	3.2
205.12184	3.9
206.10847	2.7
207.11726	6.6
208.12369	3.4
209.13300	13.7
211.11174	5.3
211.14886	2.4
213.10803	4.1
213.12775	61.7
215.10699	4.0
215.14340	3.1
216.09389	2.6
217.10277	3.4
217.12292	6.6
219.11652	4.5
221.13243	8.0
223.11201	10.7
223.14873	8.1
225.12881	5.2
229.12209	5.7
230.10709	2.6
231.11749	10.3
231.13811	13.1
232.12473	6.1
233.13335	5.6
233.15413	4.1
235.14879	7.2
236.15584	2.9
237.16347	6.8
241.12238	23.1
242.13245	2.9
243.13815	11.7
245.13222	7.1
245.15411	46.6
246.14043	10.2
247.14960	7.9
249.16373	5.8
251.14287	4.5
251.18001	13.3
255.13818	22.3
257.15295	4.1
259.13242	15.6
260.15619	6.5
261.16486	30.9
262.17175	2.9
263.16449	9.4
265.19580	11.0
273.14868	35.7
275.18021	17.1
279.17502	18.3
289.14468	3.5
291.15903	6.4
293.19077	17.9
297.18808	2.8
303.17438	6.0
311.20151	6.8
314.76627	2.6
321.18567	25.1
325.21732	7.4
335.20105	24.1
339.19681	15.2
353.21097	37.7
371.22278	32.0
413.22940	4.2
531.38489	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	531.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01875	21.1
55.05503	4.6
56.21527	1.9
56.93062	1.8
58.97433	1.7
67.05502	7.3
69.03426	5.2
69.18485	3.9
69.18880	18.0
79.05498	11.8
81.03423	13.5
81.07052	6.5
83.04993	4.5
91.05490	40.4
93.07054	11.4
95.01337	2.4
95.04967	22.6
95.08614	3.4
97.06533	3.7
97.63538	2.1
103.05489	4.0
104.39128	1.9
105.07036	23.1
107.04959	9.3
107.08620	11.2
109.06523	8.4
113.06053	2.2
115.05481	8.6
116.06214	4.6
117.07035	21.9
119.04961	4.3
119.08589	47.1
121.06522	7.9
121.10159	6.5
128.06229	8.1
129.03763	1.8
129.07019	27.8
131.04919	3.0
131.08594	37.8
132.05728	3.1
133.06514	7.8
133.10149	16.3
135.08058	7.6
135.11639	2.4
137.06020	2.3
141.06998	4.8
142.07779	8.8
143.08569	12.5
143.73845	2.1
144.05714	4.6
144.09303	3.0
145.06487	20.4
145.10139	20.6
147.08057	92.2
147.11699	7.4
149.09639	13.3
153.07011	3.2
154.07776	4.3
155.08598	9.2
156.09375	10.4
157.06544	2.7
157.10144	34.6
158.07292	2.2
158.10889	2.9
159.08072	100.0
159.11703	42.8
161.05984	3.5
161.09625	35.4
163.07562	15.7
165.07016	5.3
165.09200	2.3
167.08569	5.0
167.10699	2.4
168.09366	3.3
169.10162	20.2
170.10945	3.9
171.08057	7.4
171.11700	34.7
173.06026	7.7
173.09659	25.1
173.13225	13.0
175.07605	17.0
175.11145	10.4
177.09117	4.6
179.08652	2.4
179.10658	2.6
180.09326	3.2
181.10107	7.7
183.08105	3.6
183.11728	38.5
184.08803	2.5
185.09674	12.2
185.13281	10.5
186.10371	1.9
187.07538	9.1
187.11182	19.4
189.09158	4.9
191.10661	3.4
193.10165	7.7
193.12143	2.5
194.10854	2.5
195.08139	3.9
195.11700	7.4
196.08836	2.5
197.09650	13.9
197.13322	2.9
198.10327	2.9
199.11192	15.4
201.09125	6.1
201.12782	18.8
203.10730	4.1
205.10266	3.8
205.12244	3.4
206.10884	4.5
207.11708	5.0
209.09627	7.4
209.13313	5.9
210.10509	2.4
211.11226	14.4
213.09038	3.4
213.12737	9.7
215.10742	5.3
217.10362	3.6
217.12308	8.2
221.13268	7.8
223.11267	9.6
225.09045	3.1
225.12817	6.7
227.10666	6.4
229.12213	16.6
230.10970	4.0
231.11797	3.0
231.13840	5.8
233.09694	3.3
233.11563	2.6
233.15263	12.2
235.11143	4.4
235.14825	3.7
236.11903	3.0
237.12779	13.0
239.10651	3.9
239.14365	3.0
241.12326	2.5
243.11639	3.1
243.13748	10.1
244.12733	3.5
245.11685	4.5
247.11124	3.8
247.13205	3.2
248.11995	3.1
249.12679	5.4
249.14894	4.5
251.14326	4.5
253.12224	4.7
256.12350	2.4
257.13501	3.1
258.13904	2.2
259.10968	4.5
259.13321	5.9
260.11932	2.2
261.14795	13.4
263.14325	8.9
273.12723	5.0
274.13641	2.2
275.14423	2.8
277.12332	2.6
279.13821	9.5
284.11920	2.8
285.12564	3.9
286.13367	2.7
287.14172	2.7
289.14923	3.3
291.13727	4.0
293.15265	2.6
298.13638	2.5
299.14209	3.5
301.15903	3.2
303.13904	2.2
303.17313	3.8
305.15549	3.1
305.18866	2.5
315.17419	8.7
317.15329	5.4
317.19089	2.8
321.14795	2.7
323.16550	9.1
327.13950	2.1
329.18784	9.2
331.16721	3.6
333.18439	7.6
335.16412	4.3
347.20114	5.6
349.18286	3.3
353.21231	2.6
357.18430	8.5
361.17865	4.6
363.19626	2.7
375.19638	10.4
377.17090	4.3
381.20587	4.3
385.18088	3.5
389.21252	12.2
391.18713	4.1
393.20721	4.3
403.19034	8.2
407.22086	16.4
409.20093	8.8
413.19699	6.2
417.20496	10.9
421.20013	6.6
425.23312	8.9
435.21707	29.4
439.21124	3.5
453.22803	21.0
471.23935	3.9
499.23483	11.4
513.24475	2.6
531.28650	6.1
542.17804	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	531.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.6
53.03957	6.5
55.01868	3.0
55.05515	2.8
56.58222	1.5
57.03435	5.2
59.04990	2.5
61.02925	3.5
67.05524	6.7
69.03433	23.4
69.07088	1.5
69.70435	4.3
69.70841	3.7
70.06594	2.1
71.04997	3.4
73.02905	5.6
74.38020	1.4
79.05490	5.9
80.95774	1.3
81.03420	28.4
81.07057	9.3
82.06576	2.2
83.04977	4.3
85.02908	63.4
85.06540	5.2
87.00832	1.8
87.04467	2.1
88.03989	1.5
91.04014	1.5
91.05475	8.1
93.07040	6.4
95.04986	4.6
95.08599	12.1
97.02896	32.2
97.06522	5.4
99.04466	33.6
100.07661	2.2
103.03954	37.7
103.05489	1.8
105.07034	12.5
105.20570	1.4
107.08617	8.7
108.05723	2.2
109.02888	29.6
109.06531	10.5
109.10160	2.0
111.04430	2.6
111.08104	2.0
117.07031	2.5
119.08569	7.7
121.06510	3.8
121.10133	6.7
123.08072	52.9
125.05997	4.1
125.09704	1.5
127.03922	83.9
131.08580	5.3
133.06512	5.2
133.10133	7.2
135.08069	4.4
135.11742	2.4
137.09592	2.0
139.11247	1.6
143.08531	2.7
145.04967	37.8
145.10133	7.9
147.08066	2.7
147.11688	5.6
149.09604	9.8
150.79915	1.7
151.07549	100.0
153.09135	4.1
155.08517	1.6
156.09328	1.6
157.10103	1.5
157.73538	1.4
159.08057	2.0
161.09680	3.6
161.13365	2.9
163.04929	2.0
163.06102	12.8
163.11208	18.4
163.14888	2.2
168.87459	1.3
169.05022	1.9
171.06535	2.3
171.11742	1.4
173.09702	4.7
174.10587	1.4
181.12206	6.8
187.06107	10.6
189.07570	1.5
189.12744	23.9
191.14368	5.9
195.52737	1.5
201.09204	2.7
205.07126	4.2
205.12390	1.6
207.13811	83.5
209.15411	9.7
213.11385	1.4
219.10242	6.1
223.13315	4.1
225.14847	9.6
247.16809	2.6
253.06877	1.6
265.06448	4.8
265.10587	1.7
265.18045	2.9
266.10809	1.9
271.08148	8.8
289.09235	5.0
307.10300	5.1
348.89334	1.5
409.15024	3.8
451.19757	1.7
513.23138	4.5
531.18054	3.8
531.24396	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.1
53.03721	1.0
53.03941	4.8
55.01873	2.8
55.05512	8.1
57.03444	5.8
59.05004	1.0
61.02921	1.4
67.05513	6.2
69.03436	13.5
69.07063	4.2
70.06573	1.1
71.04984	3.7
71.55485	1.6
73.02920	2.8
77.03938	1.0
79.05506	9.2
81.03421	15.2
81.07063	11.9
83.04982	3.5
83.08628	2.2
85.02910	24.0
85.06545	2.2
91.03925	1.2
91.05487	18.3
93.07054	12.9
95.04961	4.0
95.08601	6.6
97.02883	12.8
97.06528	2.9
99.04453	15.0
99.08121	1.1
103.03944	16.5
103.05441	1.5
104.63726	1.0
105.07034	60.7
107.04942	1.4
107.08588	11.5
109.02887	11.2
109.06543	5.6
109.10178	5.8
111.08031	1.3
115.03921	1.2
115.05418	1.1
117.06999	5.1
119.08588	51.6
121.06510	4.5
121.10113	5.6
122.07315	0.9
123.08068	15.0
123.11692	2.3
125.09640	1.2
127.03922	32.3
129.07040	1.2
131.08592	3.5
133.06508	1.3
133.10126	7.1
135.08060	15.4
135.11717	2.3
137.09608	1.7
143.08571	2.1
145.04967	13.7
145.10130	5.7
147.08005	1.8
147.11696	97.5
149.09615	11.3
151.07523	1.9
151.11180	6.7
157.06604	1.2
157.10167	2.0
159.08057	1.9
159.11705	3.0
161.06017	1.5
161.13246	2.7
163.05984	3.0
163.11183	4.3
165.12761	87.0
171.11671	2.2
175.11221	1.2
177.05499	1.1
177.12769	18.5
179.14359	2.7
181.12253	1.7
183.11699	1.6
187.06029	4.6
189.12718	2.4
191.10619	1.3
199.11194	2.1
205.12209	1.4
207.13811	100.0
213.12790	1.4
215.14346	1.6
217.08649	1.1
221.73575	1.0
225.14848	12.7
229.12247	1.2
237.10135	1.1
255.11354	2.9
265.09668	1.2
267.11264	1.7
271.08081	1.9
283.10907	1.7
495.22235	1.9
513.22583	3.2
531.24579	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	531.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77448	3.2
51.80870	3.1
52.72983	3.7
53.03945	7.0
55.01866	19.0
55.05503	15.6
65.03926	7.9
67.05502	29.6
69.03419	14.3
69.07055	5.9
71.04998	4.6
71.55368	5.9
75.15578	3.6
79.05486	39.4
81.03432	34.3
81.07064	23.2
82.28342	4.2
83.04980	19.9
83.08617	5.8
85.06521	7.0
91.05484	52.5
91.35596	3.6
93.07034	28.6
95.04980	41.3
95.08596	17.9
97.06526	12.9
99.04449	4.6
103.05441	5.5
105.03417	6.2
105.07037	60.9
107.04934	13.9
107.08576	13.2
109.02892	7.6
109.06516	21.3
111.04449	6.4
115.05435	16.6
117.07030	20.1
119.04951	8.8
119.08583	23.2
121.02822	4.4
121.06496	23.8
121.10114	5.2
123.04404	14.6
123.08057	11.1
125.05927	4.8
128.06218	14.4
129.07021	20.3
129.41716	4.3
130.07780	6.6
131.04924	11.5
131.08598	31.7
131.16943	3.8
133.06516	43.3
133.10159	14.3
135.04384	10.2
135.08086	20.8
137.05934	17.7
139.03883	16.9
141.06920	5.6
142.07773	8.7
143.08549	23.4
145.06470	20.7
145.10077	19.2
147.04401	8.2
147.08038	19.3
147.11685	8.3
149.05956	19.6
151.03918	6.2
151.07556	9.3
153.05467	8.2
153.06914	4.3
155.08542	14.2
156.09378	8.7
157.06467	12.4
157.10159	21.2
158.07285	5.7
159.08075	39.7
159.11678	10.1
161.05986	76.0
161.09621	13.7
163.07567	20.6
163.11157	4.9
165.07028	8.6
166.07857	5.4
167.08594	5.0
169.06393	8.5
169.10066	18.7
170.07285	4.1
171.08023	17.4
171.11679	16.9
172.08824	6.8
173.05984	14.4
173.09644	26.9
175.07570	10.4
175.11142	8.6
177.05495	14.0
177.09174	9.5
178.07851	4.0
179.07028	14.9
179.08513	6.6
181.10072	7.1
182.10994	3.6
183.08110	22.3
183.11710	15.7
185.06038	9.4
185.09615	28.7
185.13194	12.8
187.07552	46.9
187.11171	13.6
189.05409	5.5
189.09116	13.0
189.12741	4.1
191.10585	3.8
193.10150	7.9
195.08096	5.4
195.11656	6.4
197.09645	20.1
198.62346	3.6
199.07524	17.1
199.11163	17.8
201.09145	21.1
203.06973	7.7
203.10693	8.7
205.08591	7.3
207.11699	8.0
209.09718	6.8
209.13243	6.4
211.07539	7.8
211.11212	8.4
213.05478	4.0
213.09161	37.4
213.12709	15.0
214.06221	5.0
214.12997	4.6
215.06998	13.4
215.10657	23.9
216.09465	5.1
217.08611	43.2
217.12154	21.9
221.13210	5.5
222.10468	4.7
223.07545	6.1
223.11209	9.1
225.09122	17.3
225.12817	9.0
227.06998	8.6
227.10681	12.4
229.08595	19.9
231.10175	11.0
233.13394	5.9
235.09576	5.4
236.11780	4.7
237.12738	5.5
239.10588	7.0
241.08568	27.0
241.12311	7.1
243.10127	26.4
245.08073	66.8
245.15448	8.9
253.08481	6.1
255.09926	6.2
259.09567	11.5
269.08212	5.8
271.09622	20.5
273.11319	7.7
273.15054	5.2
275.09634	4.2
289.15778	4.1
301.10733	33.6
303.12253	60.4
317.15488	5.1
319.11850	6.2
329.15347	5.4
335.14896	16.2
357.14590	7.1
363.15979	4.3
365.17474	5.2
367.19324	5.8
375.14560	19.7
387.14816	5.0
391.15265	5.6
393.16959	7.3
395.18500	12.8
403.15121	8.4
409.16287	4.4
421.16370	50.4
439.17487	8.7
449.15353	4.6
451.17288	10.6
463.17258	12.8
469.18433	33.7
478.28986	4.9
481.18506	100.0
499.19522	76.3
513.21002	11.2
531.22870	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	530.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.05515	3.0
58.06603	19.7
60.04514	0.7
62.93228	0.3
67.05499	2.4
67.14944	0.3
69.07070	1.5
69.18713	2.9
71.79446	0.3
72.08157	0.8
75.32330	0.3
78.59390	0.3
78.86125	0.3
79.05499	2.4
81.03374	0.3
81.07063	3.9
83.04984	19.3
83.08629	0.7
85.02910	0.7
85.06519	0.3
91.05485	3.0
93.07053	4.6
95.04980	0.7
95.08617	4.5
97.02920	0.3
97.06532	0.7
98.21526	0.5
100.07630	4.8
100.99210	0.3
105.07046	4.1
107.08601	8.2
109.06512	0.5
109.10162	3.5
111.08087	0.4
114.09167	0.4
117.07024	1.2
119.08591	6.1
121.06502	0.5
121.10129	4.3
121.10915	0.4
123.08066	2.0
123.11718	1.3
128.06206	0.4
129.07060	0.6
129.58272	0.3
131.08583	2.6
133.10141	4.9
135.08078	0.5
135.11694	5.9
137.09686	0.3
137.13248	0.8
139.07613	0.3
141.09142	0.5
143.08537	1.4
144.09387	0.4
145.02870	0.4
145.10123	3.6
146.03189	0.3
147.08031	0.5
147.11708	3.1
149.09627	0.8
149.13225	1.5
155.08594	0.6
157.10155	2.0
159.11707	5.7
161.09666	0.9
161.13260	3.2
163.11153	1.8
163.14864	0.6
169.10147	0.9
171.10474	0.3
171.11642	1.7
173.13297	2.0
175.11287	0.4
175.14830	1.8
177.05519	1.1
177.12839	0.6
177.16444	0.5
178.05850	1.0
181.10178	0.5
183.11725	1.3
185.13258	2.3
187.14825	2.4
189.09073	0.4
189.12816	0.5
189.16393	1.4
191.10716	0.4
193.12068	0.3
195.11708	0.7
197.13260	1.4
199.14819	2.3
201.12878	0.4
201.16399	2.7
203.18103	0.6
209.13292	0.6
211.14867	1.2
213.12724	0.4
213.16406	0.8
215.14299	0.6
215.17966	0.5
217.15889	1.0
223.14778	0.4
225.16412	0.6
227.14299	0.4
227.17989	0.6
229.16113	0.4
229.19548	0.8
237.16484	0.4
239.17996	0.6
245.15428	0.6
251.18019	0.4
253.19666	0.4
263.17783	0.4
267.21063	0.4
281.18994	0.6
283.20694	0.5
293.22836	0.5
295.24335	1.3
311.23706	0.3
313.25351	0.9
319.24014	0.5
337.25278	1.2
351.26959	0.6
381.27884	0.5
399.29095	0.9
417.31546	0.6
421.97177	0.3
435.32562	1.7
453.33646	2.7
530.38446	100.0
531.38623	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01871	0.4
55.05516	5.0
57.03418	0.4
57.07083	0.7
58.06605	26.1
59.05013	0.4
60.04523	0.8
65.03954	0.6
67.05508	6.9
69.03423	0.8
69.06767	0.4
69.07083	3.1
71.04978	0.9
71.55611	0.8
72.08154	1.1
79.05503	4.9
79.72349	0.4
80.14851	0.4
81.03435	0.8
81.07066	9.1
81.30647	0.4
82.07380	0.4
83.04986	26.9
83.08614	1.2
85.02917	0.8
85.06547	0.8
91.05490	5.8
93.07043	8.7
95.04942	1.2
95.08614	7.4
95.65608	0.4
97.06521	1.6
97.10137	0.9
100.07632	5.6
101.95361	0.4
103.05466	0.4
105.07041	5.5
107.04988	0.8
107.08600	12.1
108.08936	0.5
109.06521	1.5
109.10152	5.4
111.08085	1.3
114.09186	0.7
117.07040	2.3
119.08582	7.6
121.06526	0.6
121.10149	7.0
123.08071	2.4
123.11708	2.0
125.09647	0.7
128.32851	0.4
129.07011	1.3
131.08580	4.4
133.10136	8.4
135.08057	1.1
135.11697	7.1
137.09651	0.4
137.13310	0.8
139.07591	0.6
141.09061	0.6
143.08594	2.0
144.09251	0.5
145.10143	5.0
146.10526	0.5
147.08028	0.7
147.11690	4.1
149.09613	1.2
149.13289	2.5
151.11220	0.7
155.08543	0.8
157.10146	3.0
159.08052	0.9
159.11702	7.7
160.12045	0.5
161.09602	1.7
161.13261	3.5
163.11163	2.6
163.14818	1.0
168.09473	0.4
169.10129	1.2
171.11710	2.1
173.09610	0.5
173.11906	0.7
173.13258	3.8
175.11151	0.6
175.14783	2.4
177.12712	0.7
177.16400	0.7
181.10147	0.9
183.11700	2.6
185.13304	2.3
187.14859	2.7
189.09171	0.6
189.12785	0.4
189.16351	2.7
191.10593	1.0
191.14299	0.7
193.12321	0.5
193.15984	0.6
195.11879	0.6
195.13812	1.2
197.13292	1.8
199.14861	2.7
201.16469	2.9
203.14252	0.5
203.17914	0.9
205.15901	0.5
209.13335	0.5
211.14857	1.5
213.16426	1.2
215.14282	0.7
215.18016	0.9
217.15955	1.0
223.14850	0.6
225.16469	0.8
227.14461	0.6
227.18068	0.7
229.14212	0.5
229.19545	1.3
245.15434	0.7
253.19670	0.5
255.15915	0.7
255.21004	0.5
269.17422	3.2
278.60172	0.4
281.19083	0.7
283.15350	0.8
285.25955	0.8
293.22577	0.5
295.24252	1.8
301.16357	0.4
301.47589	0.5
311.23697	0.5
312.06631	0.4
313.25400	1.1
319.24506	0.5
337.25394	0.9
351.27066	0.6
371.87167	0.4
381.27771	0.6
399.29086	0.8
417.31943	0.6
435.32843	1.3
453.33627	4.5
488.34668	2.9
530.38434	100.0
531.38794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	2.0
55.05508	8.5
57.07070	4.0
60.30573	1.9
67.05511	20.6
69.03418	8.8
69.07082	10.7
69.46489	14.5
71.04990	3.5
79.05505	17.0
80.05832	2.4
81.03434	11.5
81.07066	30.1
82.07368	2.6
83.04980	4.4
83.08612	7.3
87.04482	26.7
91.05484	17.5
93.07047	28.5
95.04969	8.9
95.08610	23.3
97.06502	4.0
97.10183	2.6
105.07040	26.1
106.07408	2.5
107.04952	3.0
107.08604	37.4
109.06506	4.4
109.10151	17.5
111.08073	2.3
117.07034	7.7
119.08595	27.7
121.06516	3.4
121.10155	23.7
122.10506	1.9
123.08054	6.2
123.11682	7.8
125.09605	4.1
129.07030	3.2
131.08588	14.5
133.10141	25.0
135.08043	8.2
135.11696	18.0
137.09604	4.0
143.08592	7.5
145.10120	17.0
147.08060	4.5
147.11713	21.0
149.09612	5.5
149.13246	5.7
151.11134	5.3
157.10225	9.3
159.11708	16.7
161.09605	21.8
161.13264	12.6
163.11143	10.6
163.14812	5.1
165.12732	3.9
169.10107	3.1
171.11684	6.6
173.13272	7.6
175.11194	12.7
175.14838	6.6
177.12753	6.9
183.11734	4.8
185.13254	6.7
187.11378	2.5
187.14885	6.1
189.12717	5.1
189.16341	2.4
191.14275	2.9
193.12228	3.0
198.26839	1.9
199.14825	4.5
201.16418	4.7
205.15892	13.0
209.13338	3.3
213.16487	4.4
215.14413	2.5
215.17935	2.1
217.15898	3.9
219.17513	4.8
225.16295	4.5
227.17938	2.9
229.15854	4.6
231.17455	2.8
243.17393	3.5
245.19080	5.3
273.22305	2.3
295.24298	2.9
311.23712	12.6
313.25208	29.5
337.25208	6.6
340.71094	1.9
353.28397	35.0
355.30008	2.4
363.26773	8.9
365.28351	2.5
381.27875	100.0
383.29172	5.1
409.30679	4.5
435.32498	11.1
453.33685	31.1
500.72165	2.0
530.39270	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	530.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86421	3.4
55.05501	10.2
57.07057	3.7
67.05504	15.7
69.03433	30.5
69.07069	10.3
69.49744	24.1
74.09727	4.1
79.05480	8.5
81.07068	20.6
83.08665	5.1
87.04447	5.1
90.07373	3.2
91.05489	6.9
93.07047	16.7
95.04984	31.4
95.08625	22.8
97.06511	4.7
105.07020	19.5
107.04922	4.5
107.08595	15.3
109.06474	4.0
109.10149	13.3
119.08607	17.2
121.10149	13.0
123.08080	6.1
123.11751	11.9
125.60912	3.3
131.08562	11.1
131.41801	3.3
133.10147	14.5
135.11719	4.6
136.51590	3.9
137.09587	3.8
143.08540	10.5
145.10126	13.7
147.11723	7.9
149.09598	5.0
157.10167	10.7
159.11685	15.0
161.09700	4.6
161.13295	19.0
171.11652	9.6
173.13301	11.7
183.11740	8.0
185.13246	12.1
187.14844	9.0
189.16328	4.7
195.11757	4.5
199.14795	8.6
201.16389	3.8
203.14368	3.8
207.03490	5.1
211.14914	6.7
213.16454	6.4
225.16383	6.2
227.17950	6.3
243.17534	6.0
245.19083	11.2
257.18979	7.1
259.20642	7.6
281.18854	4.3
283.20425	4.1
295.20892	4.3
295.24265	10.9
297.22125	3.6
311.23636	9.4
313.25256	41.0
337.25125	6.8
339.26935	4.5
349.25211	3.9
363.26840	14.2
381.27893	100.0
383.29242	4.5
435.32626	9.6
452.84454	3.7
453.33585	12.6
559.69550	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.3
55.01868	7.1
55.05513	35.6
56.08934	1.8
57.03439	19.3
57.07065	3.5
59.04998	2.4
65.03941	2.3
67.05507	100.0
69.03426	2.1
69.07066	17.8
69.67054	7.7
69.67470	4.3
71.04990	6.5
73.02901	6.0
79.05493	39.5
81.03412	16.4
81.07059	76.2
83.04987	11.6
83.08621	20.9
85.02902	16.2
85.06518	4.1
87.04476	6.4
91.05483	34.5
93.07051	48.3
93.48567	1.8
95.04977	9.8
95.08611	19.2
97.02863	3.2
97.06532	11.2
97.10184	16.6
99.08065	2.7
103.03987	2.6
105.07007	14.2
106.35946	2.0
107.04944	4.4
107.08607	32.4
109.06508	2.8
109.10159	51.4
111.04484	2.0
111.08081	6.6
117.07048	8.9
119.08588	10.3
121.06551	2.8
121.10149	13.4
123.08102	2.3
123.11709	4.3
125.09642	22.1
129.05482	5.5
131.08589	12.2
133.10149	15.3
135.08005	3.8
135.11670	15.8
137.09605	2.4
143.10635	2.8
145.10133	4.4
147.11757	3.4
149.09659	2.6
149.13278	14.5
153.12683	2.5
155.10690	6.7
159.11700	8.6
163.11208	10.4
172.78203	1.9
173.09627	3.3
173.11761	14.9
177.12720	6.8
181.12274	3.6
193.12207	4.4
195.13831	23.1
199.11565	1.6
199.13301	12.3
201.80655	2.0
209.11760	7.7
213.14938	3.2
227.12842	6.4
229.14363	61.9
239.16496	3.2
243.45029	1.8
257.13739	2.5
267.15973	6.8
269.17493	76.1
275.83939	1.7
283.15341	3.1
301.16464	15.3
393.26306	3.4
411.27567	3.1
423.27353	23.8
495.29599	25.1
513.30743	26.2
530.39001	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18082	0.7
53.03939	3.8
55.01872	1.7
55.05518	10.9
56.42241	0.7
57.03427	2.7
57.07077	3.2
62.79631	0.6
65.03947	1.5
67.05508	44.7
69.03448	1.3
69.06718	1.2
69.07075	14.3
69.07436	0.6
69.31120	6.1
71.04992	2.3
71.08634	1.1
79.05497	31.5
81.03430	10.8
81.07063	44.2
83.04987	3.3
83.08626	10.2
85.06542	1.9
87.04459	1.8
91.05486	23.0
93.07046	38.3
95.04980	6.1
95.08609	23.5
97.06541	4.8
97.10175	1.6
99.08095	1.8
100.69516	0.7
105.04521	1.7
105.07038	16.1
107.04938	0.9
107.08602	19.0
108.03233	0.7
109.06535	1.8
109.10153	8.9
111.08070	3.9
117.07019	6.8
119.08581	9.8
121.06481	1.3
121.10152	15.2
123.08070	0.9
123.11697	3.2
125.09638	0.9
129.07039	2.7
131.08585	12.5
133.10138	9.2
135.08046	1.6
135.11696	7.7
137.09645	1.0
137.13243	0.8
143.08586	2.7
145.10101	5.8
147.08040	1.0
147.11732	4.0
149.09685	0.8
149.13263	15.9
149.14392	1.3
151.11157	0.7
155.08560	1.3
157.10144	5.4
159.11699	9.1
161.13356	1.9
162.61092	0.7
169.10158	1.5
171.11714	2.6
173.13283	4.1
175.11176	1.3
175.14836	1.6
177.12808	3.0
181.10060	0.7
183.11745	1.2
185.13316	2.3
187.14909	2.0
193.12225	4.9
195.11884	0.7
195.13812	3.3
197.13385	1.4
256.26477	4.0
259.20676	0.9
261.22226	2.9
263.23718	1.1
317.24866	1.0
437.34232	2.9
455.35278	1.8
511.37845	2.5
529.38916	100.0
530.39246	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11188	0.6
53.03948	3.3
55.01873	1.9
55.05260	1.1
55.05512	13.2
57.03453	3.2
57.07071	2.5
59.23269	0.6
65.03936	2.1
67.05510	47.0
69.03426	0.8
69.06725	1.3
69.07075	15.8
69.07452	0.8
71.04988	2.6
71.08632	1.2
77.03951	1.0
79.05499	36.8
81.03427	6.8
81.07063	50.4
83.04987	3.2
83.08619	9.6
85.06548	3.0
91.05485	23.6
93.07050	42.5
95.04984	5.4
95.08614	26.5
97.06544	6.7
97.10163	3.4
98.20789	1.6
99.08101	1.4
105.04530	1.0
105.07037	16.6
107.04961	1.1
107.08603	24.0
107.99925	0.6
108.38358	0.6
109.06528	1.8
109.10159	9.6
111.08089	3.6
111.11741	0.9
117.07030	8.6
119.08595	9.9
121.10152	18.2
123.08035	1.1
123.11726	2.7
125.09683	1.1
129.07024	2.8
131.08568	11.5
133.10146	9.1
135.08060	1.4
135.11703	11.2
137.09628	0.9
139.11212	1.3
142.07779	0.9
143.08575	3.0
145.10114	7.2
147.11679	5.3
149.09668	1.3
149.13280	17.5
155.08612	1.4
157.10138	4.3
159.11713	8.7
161.13289	2.3
163.14775	0.8
169.10129	1.3
171.11725	2.1
173.13306	4.2
175.14864	1.8
177.12801	2.8
183.11720	0.8
185.13249	1.6
187.14870	2.3
193.12270	2.4
195.12064	1.0
195.13783	5.2
199.14891	1.6
201.16476	0.9
213.14778	0.8
243.21123	1.3
256.26270	0.9
261.22110	3.2
301.21500	0.8
317.24799	0.9
419.32925	1.0
437.34305	3.8
455.35355	2.1
511.37735	2.6
529.38940	100.0
530.39215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
53.11427	2.1
55.05507	13.3
57.03412	2.9
57.07080	4.0
59.05001	4.2
67.05509	19.9
69.03422	5.9
69.07061	9.1
71.04989	6.0
79.05505	17.9
81.03429	3.9
81.07076	23.3
83.04983	6.0
83.08611	4.5
85.02889	3.1
85.58592	2.2
91.05488	26.4
93.07050	22.4
95.01333	8.4
95.04972	9.4
95.08625	24.3
97.06513	4.8
97.10164	3.9
99.04452	3.7
103.05527	2.7
105.03383	11.3
105.07032	30.8
107.04924	4.4
107.08604	26.3
109.06538	7.2
109.10148	14.4
111.08093	6.0
115.05373	3.6
117.07012	9.7
119.08595	36.9
121.06507	5.7
121.10159	17.3
123.08057	3.7
123.11733	3.2
128.06207	6.5
129.07002	8.7
131.04956	4.4
131.08585	22.3
132.99318	2.3
133.06479	4.6
133.10155	33.2
135.08067	7.0
135.11647	12.2
139.07529	3.2
141.06995	6.6
142.07765	7.1
143.08574	28.0
145.06444	4.0
145.10133	31.3
147.08025	7.3
147.11696	14.7
149.09633	5.9
149.13260	5.6
155.08565	10.8
156.09363	10.9
157.06424	2.9
157.10117	38.9
158.10977	2.4
159.08072	2.8
159.11690	28.7
161.05975	2.7
161.09622	5.5
161.13264	8.4
163.07617	2.4
163.11163	3.6
165.07031	3.5
169.10138	21.6
170.10896	14.4
171.08054	9.3
171.11691	32.8
173.09654	5.8
173.13248	17.2
175.11234	3.5
175.14828	6.8
177.12810	3.4
179.08618	2.4
181.10114	8.1
182.10857	3.7
183.11729	20.5
184.12436	8.0
185.09612	6.7
185.13278	36.5
187.11174	4.8
187.14856	16.5
189.16417	3.0
193.10161	3.0
194.10904	2.7
195.11772	15.5
196.12366	3.4
197.09619	3.6
197.13286	39.4
199.11087	4.4
199.14830	39.1
201.12776	5.5
201.16399	7.5
206.10950	2.6
207.11693	6.9
208.12535	2.5
209.09587	3.0
209.13239	8.7
211.11305	3.8
211.14796	15.9
213.12794	21.2
213.16391	9.8
215.14301	4.2
217.12303	2.4
217.15898	7.0
219.11723	2.8
219.17336	2.5
220.12430	4.4
221.13348	6.3
223.11325	2.5
223.14938	11.7
224.15596	2.9
225.12776	4.6
225.16359	15.2
227.10672	3.6
227.18071	5.5
229.19516	3.6
231.13799	2.9
233.13287	4.5
235.14856	9.8
237.16423	8.5
239.14362	3.4
239.17894	10.8
241.19510	4.5
243.13907	3.4
243.17198	2.9
246.14111	3.3
247.14807	4.6
249.16360	8.0
251.17950	10.5
253.19464	6.0
259.20572	3.6
261.16467	2.5
263.17896	7.2
265.19519	6.0
267.21133	5.0
273.14948	3.8
275.17886	5.0
277.19403	3.2
278.20230	2.6
279.21100	3.6
287.17767	2.3
289.19427	4.0
291.21103	7.2
293.22559	13.7
294.23431	3.2
295.24146	4.2
303.21060	3.5
305.18903	3.0
309.18515	2.9
309.22061	5.4
310.23013	2.9
311.23630	7.1
319.24127	6.8
337.25540	3.1
345.25732	3.7
351.27008	3.5
361.25241	5.0
363.26575	4.6
379.26224	5.4
381.23843	3.6
381.28052	4.3
391.22415	3.1
393.28076	14.6
407.18140	6.1
407.33075	5.3
411.29025	8.1
419.18622	3.1
423.32471	3.0
433.31064	21.7
451.32144	100.0
457.29465	6.1
469.22226	6.3
469.33157	74.2
485.57037	2.4
493.33450	2.4
511.34003	6.0
525.05450	2.6
529.23053	18.8
529.35663	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	529.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.01873	1.8
55.05518	7.4
55.05738	1.7
57.07065	4.0
59.05006	6.6
60.56786	1.1
65.03975	1.4
67.05499	8.2
69.03413	3.5
69.07063	6.8
71.04984	2.3
71.55094	1.8
73.45644	1.0
79.05501	12.4
81.03407	1.9
81.07058	12.4
83.04964	5.0
83.08624	2.8
85.02872	3.4
87.04442	1.1
91.04965	1.6
91.05477	15.9
93.07047	15.9
95.01316	4.6
95.04940	4.9
95.08604	14.8
97.06514	3.7
97.10178	2.7
99.04453	2.3
105.03342	1.8
105.07030	25.3
107.04924	2.9
107.08590	18.7
109.06503	4.3
109.10176	13.5
111.08078	2.2
115.05420	2.2
117.07011	5.6
119.08580	26.4
121.06518	4.3
121.10155	14.8
123.08041	2.8
123.11716	2.0
125.09596	1.5
128.06192	3.6
129.07007	8.1
130.07729	1.5
131.08572	18.3
133.06464	3.0
133.10144	28.8
135.08028	4.1
135.11681	7.3
137.05943	1.3
137.09593	3.0
139.07541	2.4
141.06982	3.4
142.07780	7.8
143.08565	22.2
144.09331	2.5
145.10129	24.3
147.08031	5.6
147.11714	13.0
149.09605	5.7
149.13289	2.0
151.07652	2.0
153.06958	1.9
154.07671	1.2
155.08554	9.7
156.09372	10.4
157.10132	32.8
158.10872	3.7
159.08080	2.8
159.11684	18.5
161.05963	2.4
161.09596	5.6
161.13287	6.3
163.07494	1.3
163.11258	3.4
165.07030	2.0
167.08522	3.1
168.09331	2.2
169.10114	12.8
170.10947	7.8
171.08057	4.6
171.11694	30.8
172.12529	1.1
173.09593	5.4
173.13252	18.4
175.07478	1.3
175.11153	2.6
175.14868	7.2
177.09074	1.5
177.12669	1.9
179.06981	1.3
179.08502	2.3
179.10715	1.3
180.09264	1.5
181.10107	6.7
182.10924	4.5
183.08002	1.8
183.11687	16.7
184.08821	1.4
184.12415	5.6
185.09695	3.3
185.13258	32.4
187.11195	3.0
187.14821	10.0
189.12697	1.7
189.16377	2.1
191.14267	2.0
193.10126	5.2
193.12059	1.7
194.10957	1.6
195.11719	9.6
196.12480	2.9
197.09613	2.4
197.13268	26.3
198.10416	1.5
198.14001	1.4
199.11209	6.0
199.14828	39.6
201.12717	2.5
201.16356	11.3
203.14311	2.1
203.17899	1.1
205.12189	1.8
206.10924	2.7
207.11830	6.2
208.12463	1.5
209.13222	9.9
210.14076	2.4
211.11246	3.0
211.14809	12.1
213.12753	12.5
213.16304	7.4
215.14221	1.8
217.12276	1.3
217.15842	5.1
219.11655	3.9
219.17444	1.6
220.12329	1.4
221.13298	8.2
223.11188	1.9
223.14792	10.5
224.15565	1.7
225.12839	2.1
225.16411	10.2
227.10774	1.3
227.14262	1.5
227.17928	5.8
231.13788	2.1
233.13193	2.9
234.13977	1.9
235.11131	1.4
235.14778	5.5
237.16394	9.4
239.14301	1.9
239.17967	7.3
241.19466	2.7
243.11656	1.6
245.13226	1.8
245.15404	2.3
247.14717	3.5
249.16351	7.6
250.17238	2.3
251.14282	2.4
251.18059	7.8
253.19449	5.0
255.13789	2.3
255.21011	1.5
257.13141	1.8
259.13071	2.7
259.15100	1.5
261.16321	3.3
263.14532	1.2
263.18066	6.2
265.12100	1.5
265.19504	6.6
267.13651	1.9
267.21060	3.8
273.14670	2.6
275.17786	2.3
277.19434	5.4
279.17654	2.5
279.20993	5.0
281.19177	1.5
283.20511	1.7
287.17728	1.4
289.19327	1.9
291.15817	1.8
291.21136	4.1
292.21732	1.3
293.19376	1.6
293.22620	6.4
294.23029	1.6
295.20889	1.5
295.24234	6.6
305.18997	1.7
309.18430	1.4
311.20041	2.3
311.23608	3.6
317.22537	1.4
319.20557	1.7
319.24188	6.4
321.25632	2.1
323.19962	2.7
325.21533	3.0
331.16858	2.0
333.25705	3.1
337.21515	2.4
337.25211	2.7
343.24176	3.2
349.17706	1.5
351.26862	3.8
353.28513	1.7
361.25278	9.8
365.24783	3.8
373.17831	1.8
377.17426	3.0
379.26343	11.5
381.24414	2.1
391.18781	2.8
393.27924	40.8
395.18384	1.6
397.27368	6.3
401.17331	1.4
409.27039	2.2
411.29010	10.5
415.29819	1.8
419.18695	2.1
423.32394	3.0
425.24011	1.5
433.25058	1.8
433.31021	31.7
437.19492	1.6
451.21310	4.2
451.32080	100.0
452.32352	2.4
469.22131	5.6
469.33142	58.9
497.21155	1.4
529.24170	15.0
529.35486	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	529.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69722	1.4
53.03944	2.3
55.05520	7.9
57.07058	4.9
59.04990	5.6
63.57591	1.3
67.05505	12.2
69.03439	3.3
69.07068	9.6
69.34102	2.2
69.34496	12.0
71.04993	4.1
79.05492	10.5
81.07059	11.6
83.04977	3.6
83.08624	2.9
84.48106	1.3
91.05478	13.2
92.99567	1.3
93.07037	18.6
95.01295	1.8
95.04961	3.7
95.08613	15.2
97.06547	7.2
97.10171	2.7
105.07040	23.6
107.04912	1.9
107.08585	17.2
109.06492	3.6
109.10156	11.6
111.08054	2.1
115.05428	2.0
117.06998	6.4
119.08567	22.3
120.21449	1.4
121.06486	4.5
121.10147	13.5
123.08102	1.7
123.11678	2.8
128.06200	3.2
129.07024	7.4
130.07814	1.5
131.04956	1.5
131.08569	18.2
133.06497	3.4
133.10129	25.0
135.08098	4.4
135.11609	7.0
137.09644	2.5
139.07527	3.1
141.06956	3.5
142.07759	7.3
143.08563	22.2
145.10127	20.7
147.08061	4.6
147.11668	12.0
149.09615	3.4
149.13350	1.8
155.08554	8.6
156.09343	6.7
157.10139	29.4
158.10925	2.6
159.08011	3.3
159.11705	23.3
159.53494	1.5
161.09573	4.0
161.13161	7.1
163.11172	2.2
165.06990	1.7
166.07788	2.3
167.08586	3.0
168.09224	2.1
169.10144	14.7
170.10945	7.1
171.11696	22.7
173.09596	3.6
173.13274	16.9
175.11244	4.9
175.14819	6.7
177.12788	1.9
179.08546	3.3
181.10124	7.3
182.10931	2.7
183.08015	1.8
183.11674	21.3
184.12422	5.6
185.09627	2.0
185.13280	30.5
187.11136	1.7
187.14784	12.8
189.16391	2.1
193.10147	4.5
194.10870	1.9
195.11702	10.0
196.12428	2.3
197.13263	24.0
199.11201	4.1
199.14816	38.6
201.16367	12.6
203.14302	3.1
207.11687	6.1
208.12573	1.7
209.13301	8.7
211.11104	2.9
211.14775	8.2
213.12831	9.3
213.16382	7.1
217.15926	3.8
219.11635	4.4
219.17511	2.2
220.12422	2.0
221.13263	6.9
223.11116	2.1
223.14737	9.5
225.16411	11.0
227.17888	5.2
231.13766	2.4
233.13260	4.0
233.15350	2.2
234.13918	2.0
235.14793	6.9
236.15648	2.0
237.16394	7.7
239.17960	7.8
240.18665	1.9
241.19559	2.5
244.59930	1.7
245.15399	3.5
247.14815	3.9
249.12607	2.2
249.16336	6.9
251.17932	7.5
253.19484	4.7
258.13718	1.7
259.20367	2.1
261.16446	2.1
263.17899	4.7
265.19531	5.9
267.20941	3.5
271.14673	1.7
275.17798	3.8
277.15881	2.2
277.19308	3.1
279.20996	4.3
289.19394	1.8
291.21091	6.1
293.19464	1.7
293.22610	6.1
294.23447	2.0
295.24179	6.0
301.19437	2.0
311.20175	1.8
311.23700	3.9
317.22537	2.4
319.24179	5.3
323.20035	4.1
333.25940	3.1
335.27240	2.5
337.21481	2.3
337.25214	4.8
343.24182	1.9
351.23111	2.7
351.26962	3.0
361.25201	7.1
365.24554	2.3
379.26297	8.7
393.23227	2.9
393.27893	38.1
397.27075	5.2
405.31192	1.8
409.31143	1.8
411.21469	3.5
411.29059	9.9
415.29712	2.7
423.32822	3.5
433.31009	28.6
437.19379	2.2
451.21503	2.8
451.32071	100.0
469.22076	4.2
469.33118	53.8
511.33917	2.0
529.23993	11.8
529.35480	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	529.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01875	3.2
55.05297	1.5
55.05515	9.6
65.03969	2.1
65.46596	1.6
66.16895	1.7
67.05505	10.5
69.03418	7.6
69.07061	10.1
69.96349	1.5
71.04973	2.7
71.20097	2.2
77.34708	1.6
79.05500	17.5
79.44711	1.4
81.03447	2.9
81.07063	18.2
83.04986	29.5
85.02923	4.4
85.06537	8.9
88.76529	1.5
91.05486	34.8
91.06009	2.7
93.07051	31.3
95.04995	10.5
95.08607	7.9
97.02889	2.5
97.06521	13.8
99.04452	2.1
103.05482	2.7
105.07028	37.1
105.07671	2.6
107.04978	3.8
107.08595	17.7
108.05291	1.6
109.02898	2.8
109.06521	10.1
109.10159	3.3
111.04432	1.6
111.08133	3.4
113.06007	2.3
115.05479	4.9
116.06252	2.3
117.07031	11.6
119.05013	2.3
119.08593	43.5
121.06525	7.1
121.10168	7.5
123.08084	4.5
123.11730	1.8
125.06045	2.1
125.09675	1.8
127.03923	2.5
128.06268	6.5
129.06999	13.4
130.07829	4.1
131.08572	28.1
131.09514	2.4
133.06572	6.1
133.10147	17.1
135.08061	9.3
135.11693	2.1
137.06041	4.1
137.09654	4.4
141.07013	6.0
142.07776	14.5
143.08574	17.2
144.09364	2.1
145.06541	6.1
145.10132	25.4
147.08066	15.5
147.11696	12.5
149.09641	14.6
153.07040	4.4
154.07742	3.9
155.08588	11.6
156.09358	15.0
157.06555	2.7
157.10121	28.3
158.07263	5.1
159.08049	13.9
159.11729	12.4
161.05920	1.8
161.09636	20.8
161.13351	3.0
163.11147	9.8
165.07011	6.3
165.09167	5.2
166.07878	2.3
167.08606	6.8
167.10736	2.3
168.09424	5.5
169.10158	15.3
170.10950	5.0
171.08107	4.4
171.11678	20.1
172.08878	2.7
173.09624	19.2
173.13272	8.8
175.11185	17.1
177.09131	3.0
179.08640	6.6
179.10687	2.8
180.09389	4.4
181.06488	2.2
181.10126	7.7
182.07263	1.8
182.10956	7.9
183.08067	14.4
183.11626	11.0
184.08835	9.5
185.09622	22.5
185.13332	6.4
186.10393	3.7
187.07613	2.9
187.11154	8.2
189.09190	3.9
189.12848	4.2
191.08667	3.3
191.10712	12.4
192.09404	5.7
193.10197	8.7
193.12292	5.5
194.11008	5.4
195.08119	7.4
195.10072	2.6
195.11713	16.7
196.08899	3.7
196.12509	3.1
197.09630	12.2
197.13289	13.8
198.10408	18.4
199.11205	46.1
199.14905	3.0
200.11957	18.4
201.09099	15.8
201.12779	9.3
203.10655	9.2
203.14400	4.5
205.10176	5.4
205.12248	4.6
206.10941	3.3
207.08202	2.0
207.10075	2.5
207.11707	12.4
208.12566	2.7
209.09677	5.5
209.13246	8.8
210.10333	7.6
211.11208	14.4
211.14928	3.3
213.09261	3.6
213.12752	28.1
215.08679	1.9
215.10767	4.3
215.14281	14.0
216.09421	3.0
217.10199	4.3
217.12283	3.5
217.15915	6.0
218.10913	2.4
219.11763	6.8
219.13763	3.8
220.12527	4.2
221.09679	4.4
221.13278	8.6
221.15269	3.2
222.10518	3.0
222.14114	2.3
223.11255	10.9
223.14917	5.0
224.11853	2.0
225.12726	32.9
225.16353	1.7
227.10716	2.2
227.14404	6.6
229.12204	2.2
230.10910	4.1
231.11794	4.8
231.13947	1.9
232.12434	3.8
233.13399	8.5
234.14029	3.9
235.11243	5.8
235.14957	6.8
236.11906	2.9
237.12688	12.3
238.13593	3.2
239.14386	5.7
241.12271	17.1
241.16042	2.3
243.11639	3.7
243.13805	30.6
244.12639	4.1
245.13274	7.4
245.15167	7.9
246.14200	2.7
247.11252	5.3
247.15019	4.7
248.12053	2.0
249.12770	5.0
250.13568	3.9
251.14447	6.7
252.15103	1.9
253.12315	2.3
253.15884	3.5
255.11542	2.4
255.13965	6.0
257.13361	4.5
258.14105	3.6
259.11044	2.5
259.15173	4.1
260.12283	2.0
260.15646	2.8
261.12888	4.5
261.16608	4.5
262.13745	2.4
263.14191	3.4
263.16455	24.5
265.15921	4.7
267.13916	3.6
271.14816	3.7
274.13620	2.3
275.14334	6.1
275.17874	3.0
276.15091	2.0
277.16040	3.8
279.14111	2.0
279.17587	2.6
281.15329	2.9
285.16562	1.8
287.14395	2.5
287.18030	3.0
289.16141	2.0
291.17465	2.3
293.15460	2.3
295.16971	2.8
301.16003	3.1
301.19376	2.2
303.17383	5.0
305.15591	2.4
305.19034	4.4
307.17117	3.3
313.19403	1.9
315.17642	2.0
317.19162	3.0
319.20547	4.0
321.22186	1.9
329.19040	3.7
331.20776	5.0
333.18356	3.3
333.21997	1.9
335.20462	3.8
347.20197	4.3
349.21609	15.2
361.21619	4.8
363.23325	6.0
365.21274	3.4
367.22803	3.0
373.21881	6.3
376.20911	2.0
379.22870	4.9
381.24103	2.2
389.19724	2.3
391.22650	23.2
407.20795	4.0
409.23773	33.9
423.25629	2.5
425.21722	10.2
451.24841	14.1
469.25937	15.1
511.27081	2.9
529.28174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.4
55.05502	11.4
58.72479	3.8
65.03938	4.8
67.05517	22.1
69.03432	7.4
69.07068	8.7
69.20370	43.0
79.05482	25.8
81.03423	38.1
81.07063	34.5
83.04981	12.3
83.08631	4.1
85.02878	5.0
89.22199	4.5
91.05482	41.2
93.07051	37.4
95.04981	29.1
95.08597	23.8
105.03398	10.3
105.07025	42.3
107.04929	8.8
107.08583	24.9
109.06512	11.8
109.10142	16.5
111.08086	4.3
117.07015	17.4
119.08578	60.5
121.06506	16.9
121.10138	22.3
123.08064	6.7
123.11732	5.5
129.06999	15.0
131.04947	8.2
131.08582	39.9
133.06506	9.9
133.10132	25.1
135.08025	14.6
137.09567	6.7
142.07767	12.3
143.08580	26.5
145.06506	4.2
145.10124	31.8
147.08031	14.9
147.11621	11.9
149.09616	12.0
154.07658	4.9
155.08540	14.0
156.09367	8.1
157.10126	51.2
158.10890	5.2
159.08087	26.8
159.11729	29.8
161.09636	70.1
161.13284	7.6
163.11159	5.7
167.08530	6.8
169.10143	49.7
170.10899	6.1
171.08119	5.1
171.11687	40.2
173.09637	27.6
173.13313	27.1
175.11180	12.7
175.14857	6.3
179.08638	4.9
181.10150	7.8
183.11723	41.3
185.09586	7.0
185.13211	27.7
187.11142	16.9
188.00769	4.5
189.12694	5.5
192.09192	4.8
193.10104	9.8
194.10878	6.0
195.11690	18.4
197.09590	4.5
197.13254	18.0
199.11137	11.2
199.14793	8.0
201.12773	28.7
203.14282	10.4
205.10123	6.7
206.10870	5.4
207.11713	10.5
208.12413	7.8
209.13333	20.3
211.14790	7.0
213.12704	14.5
213.16406	4.3
215.10623	5.9
215.14272	5.6
220.39235	4.7
221.13289	10.9
223.14838	18.9
227.14447	5.5
233.13266	9.9
235.14803	12.4
237.12753	5.6
237.16341	8.5
241.15887	11.6
249.16399	9.5
251.17967	8.8
263.18027	5.3
269.18933	9.3
275.14755	4.4
275.17819	8.5
279.17258	7.4
303.21088	19.1
305.22742	5.3
307.20514	6.5
308.40707	4.2
309.22180	5.8
323.20132	4.9
333.22128	20.7
335.23648	13.3
345.22064	29.3
347.19949	4.5
351.23083	11.3
363.23206	100.0
373.21747	13.4
379.26337	5.2
391.22705	42.4
409.23581	8.5
423.25705	4.5
433.30981	6.2
447.14346	4.1
451.24759	4.9
451.31909	9.4
457.28647	13.6
469.25989	65.7
469.32327	4.2
480.23752	4.7
529.25519	6.3
529.36719	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	529.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	14.2
55.01873	19.0
55.05515	7.2
61.05167	4.8
67.05511	35.6
69.03425	8.7
69.19037	10.5
69.19437	47.5
79.05497	28.4
81.03429	30.8
81.07059	26.9
83.04990	13.5
83.70595	4.8
90.42088	5.0
91.05493	42.6
93.07081	26.1
95.01307	10.6
95.04423	9.1
95.04976	60.8
95.08616	24.2
97.02884	7.0
97.06556	8.3
98.17305	4.7
98.21495	12.6
103.05460	13.2
105.07037	74.1
107.04974	21.6
107.08614	15.2
109.06517	27.6
109.10152	8.6
111.04431	6.2
115.05476	20.9
117.07040	26.4
119.04992	13.6
119.08581	30.4
121.06510	33.2
121.10164	12.3
123.04430	6.3
123.08078	13.2
128.06258	22.2
129.06998	66.8
131.04907	6.1
131.08580	25.0
133.06525	69.0
133.10144	24.2
135.04440	8.9
135.08055	32.9
137.05992	24.0
137.09587	5.6
139.03923	13.6
141.07013	17.1
142.07780	13.4
143.08582	24.8
145.06531	31.9
145.10115	27.0
147.04448	8.2
147.08076	27.1
149.05956	27.2
149.09666	11.3
151.07536	10.9
152.06210	9.6
153.06993	14.9
154.07803	8.6
155.08563	21.9
156.09351	14.6
157.06517	71.3
157.10103	36.9
158.07227	10.5
159.08087	37.9
159.11702	12.9
161.05989	100.0
161.09630	14.4
163.07549	17.2
163.11150	8.3
165.05496	10.6
165.06992	12.8
166.55582	5.2
167.08601	18.1
169.06575	8.6
169.10152	30.6
170.07277	9.0
170.10893	6.1
171.08063	37.8
171.11726	37.4
171.95215	5.3
173.06070	12.6
173.09674	37.2
175.07584	19.9
175.11212	8.1
177.05482	24.9
177.09097	8.5
178.07785	7.2
179.03441	18.1
179.07069	21.3
179.08549	9.6
180.09306	8.1
181.06528	9.0
181.10153	6.8
182.07298	54.9
183.08040	31.5
183.11702	26.9
184.05304	6.3
184.08888	7.4
185.06026	11.4
185.09608	38.1
185.13242	41.5
187.07578	19.6
187.11191	19.1
189.05513	7.3
189.09160	7.7
193.10182	12.6
195.08113	18.6
195.11687	13.3
196.08865	8.8
197.09634	97.7
197.13319	10.5
199.07594	32.6
199.11214	18.3
200.42323	6.4
201.09161	17.7
201.12894	6.0
203.06982	12.0
203.10544	6.3
205.10252	6.6
207.11731	14.9
209.09787	13.2
209.13376	6.2
210.10448	7.0
211.07585	27.2
211.11208	21.1
212.08354	15.5
213.09093	31.7
213.12692	34.4
215.10661	53.8
217.08539	15.1
219.11807	6.4
221.09680	8.4
221.13239	10.6
223.07547	10.3
223.11223	8.3
225.09123	10.2
227.07100	11.9
227.10698	7.2
229.08397	9.8
231.11804	14.4
232.12463	9.0
235.09589	10.3
235.14737	9.6
237.09103	14.3
237.12698	10.7
239.07045	10.8
239.10661	12.4
241.08586	17.3
243.11847	7.4
243.13908	10.1
245.13322	8.1
245.15465	12.0
247.14838	16.8
249.12778	7.2
249.16270	7.5
257.08096	10.8
258.13934	6.0
261.12686	7.9
261.16504	13.6
269.07800	6.5
270.13882	5.5
271.14877	6.7
273.14935	14.1
275.14136	5.8
275.18005	6.5
277.15714	7.8
287.14221	12.0
289.15860	11.6
291.17542	12.7
299.09180	7.7
301.10651	27.3
303.13809	8.5
303.17291	9.5
305.19153	6.0
313.10846	6.7
313.15909	9.6
317.10254	10.8
317.15326	8.1
331.17004	11.2
333.14807	7.6
343.13434	9.7
345.14868	6.6
347.12646	8.0
349.14310	8.4
349.18216	8.0
351.19534	11.4
356.12640	7.2
359.16348	7.0
361.14377	10.3
373.13586	7.8
377.17511	15.5
387.12262	7.9
389.13940	8.0
391.18964	17.6
393.17044	12.7
407.14841	7.8
409.20248	13.0
411.18048	16.6
419.14929	23.5
435.14789	8.6
437.20087	15.0
449.15833	19.6
451.21176	17.4
461.15997	16.0
467.17053	16.2
469.22333	37.2
479.16965	48.9
497.17963	16.5
529.24402	75.5
529.35095	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	528.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94531	0.5
55.01866	0.6
55.05500	0.9
57.03431	0.7
67.05502	2.9
69.03407	1.6
69.07049	1.1
79.05491	2.2
81.03415	1.0
81.07058	3.1
82.02984	0.5
82.75824	0.5
83.04976	1.1
83.08614	0.7
85.02913	4.1
88.95468	0.4
91.04980	0.5
91.05477	2.9
93.07045	4.7
95.04972	0.5
95.08603	1.9
96.45364	0.5
97.02859	1.1
97.06535	1.5
101.79970	0.5
103.79565	0.5
105.07034	5.7
107.04972	1.0
107.08600	4.6
109.06466	0.9
109.10163	5.9
110.87299	0.5
117.07021	2.1
119.08578	4.2
121.06529	0.9
121.10131	2.6
123.08095	0.7
123.11681	1.4
125.09686	0.5
127.03902	0.7
128.06119	0.6
129.07027	1.5
131.08591	4.2
133.10141	4.4
135.11691	1.8
137.09612	3.1
141.06943	1.1
143.08553	4.0
145.04913	0.9
145.10135	11.3
147.11684	4.2
149.09616	1.4
149.13226	1.4
151.11185	1.7
155.08527	1.5
157.10123	6.5
159.11711	5.1
161.09583	1.0
161.13261	2.0
169.10143	1.6
170.10939	0.5
171.11716	2.6
173.09644	0.9
173.13240	1.3
175.11215	1.6
175.14850	0.8
177.12767	1.6
181.10065	0.8
183.11710	2.4
185.09615	1.0
185.13237	4.0
187.14853	1.4
189.12781	1.2
191.14316	0.8
195.11665	1.5
197.13264	5.2
199.11139	0.8
199.14864	2.5
201.12787	0.7
203.14226	0.7
209.13234	2.0
211.11201	0.6
211.14867	1.3
213.12654	0.6
213.16403	1.7
215.14342	2.4
221.13405	0.5
223.14836	0.5
225.16356	1.2
227.14333	1.7
231.17354	0.7
241.19521	3.2
243.17513	1.4
253.19449	0.9
255.21098	1.5
265.19568	3.4
267.21069	1.6
269.18973	0.7
271.20627	1.2
277.19507	1.0
283.20569	62.7
284.20886	0.9
285.22189	2.3
295.20612	6.1
301.21640	8.0
313.21637	13.4
313.25290	0.7
331.22678	100.0
332.23108	0.6
349.23752	6.8
372.25342	1.8
487.74930	0.5
529.33362	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.8
53.03952	2.9
55.01873	2.1
55.05511	14.3
57.03444	3.0
57.07069	1.2
62.62149	0.5
65.03936	1.9
65.13505	0.4
67.05506	32.4
68.94273	0.4
69.03423	1.5
69.06721	0.6
69.07068	7.8
69.07418	0.8
71.05003	2.8
71.55502	0.5
77.03930	0.6
77.74670	0.5
79.05494	27.3
81.03418	23.9
81.07056	27.1
83.04976	2.8
83.08624	10.1
83.31644	0.5
83.94711	0.5
85.06534	1.0
89.03911	2.0
91.05481	23.4
93.07047	23.9
95.04973	9.9
95.08610	16.5
95.09236	0.6
97.02879	0.9
97.06530	2.3
97.10171	6.7
103.05486	1.0
105.04501	0.9
105.07030	17.0
107.04956	2.3
107.08593	15.2
109.06525	2.2
109.10155	9.9
109.38753	0.5
111.04453	0.4
111.08102	3.5
115.05452	1.1
117.03385	5.9
117.07014	7.5
119.08579	13.9
121.06483	1.4
121.10145	10.3
123.08083	1.3
123.11713	2.1
125.09632	5.0
128.06209	1.3
129.07011	6.7
130.07817	0.6
131.08575	12.7
133.06499	1.2
133.10133	8.7
135.08047	1.6
135.11687	6.4
137.06009	0.5
137.09605	1.1
137.13303	0.7
141.06985	1.5
142.07788	1.8
143.08562	6.5
144.09360	0.5
145.02853	14.7
145.10127	9.9
147.08064	1.7
147.11674	6.1
149.06006	2.2
149.09644	1.8
149.13277	3.0
155.08543	3.7
156.09358	0.8
157.10139	7.1
159.11693	6.8
161.13245	3.2
163.11208	0.5
163.14865	1.2
165.12804	1.0
167.08572	1.3
169.10104	3.6
171.11678	5.1
173.11877	0.9
173.13284	3.7
175.11197	2.8
175.14815	1.8
177.05473	44.1
179.08539	0.8
181.10129	1.7
183.11667	3.7
185.13232	3.3
186.05527	0.8
187.14865	1.9
189.11220	2.4
189.16425	0.5
193.10356	0.9
193.12253	9.7
195.11739	2.3
195.13530	0.5
197.13242	3.7
199.14871	2.5
201.16367	1.4
207.11801	0.5
209.13329	1.3
211.14883	1.8
213.16499	1.1
215.17848	0.5
221.13324	0.6
223.14854	1.8
223.38913	0.5
225.16418	0.6
233.44325	0.5
235.14845	0.7
237.16217	0.5
243.21115	1.3
249.14731	2.4
251.09265	1.0
253.19734	0.8
259.20624	0.6
261.22141	3.8
265.19434	0.7
267.15921	0.9
297.22263	0.5
299.23688	1.2
301.25220	2.3
309.22150	1.0
317.24823	1.3
327.23297	0.7
345.24408	0.5
417.31580	1.6
435.32623	6.1
453.33704	7.4
471.34802	4.7
491.35046	0.7
509.36218	4.2
527.37311	100.0
528.37506	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01859	1.1
55.05511	7.2
57.03437	0.6
57.07059	0.9
59.04998	0.5
63.80540	0.5
65.03924	0.9
67.05507	9.9
69.03419	1.8
69.07063	4.9
69.41473	3.7
71.04993	3.0
73.06541	1.4
76.47784	0.5
79.05495	8.4
81.03427	4.5
81.07059	12.0
81.10184	0.6
83.04997	2.8
83.08623	2.8
85.06528	1.9
88.12142	0.5
91.05479	8.2
93.07047	14.0
95.04962	3.2
95.08610	13.2
95.09109	0.3
95.09225	0.5
97.02948	0.6
97.06525	4.1
97.10149	1.8
98.21604	0.5
99.08099	1.4
103.05440	0.6
105.07036	12.0
107.04993	0.8
107.08598	13.7
109.06515	1.5
109.10155	8.5
111.08094	5.5
113.09619	1.1
117.07001	3.1
119.08581	14.0
120.08978	0.7
121.06528	2.8
121.10139	9.6
123.08075	3.5
123.11721	2.1
125.09636	3.7
128.06195	1.3
129.07037	3.4
131.08575	9.3
133.06483	1.1
133.10129	11.4
135.08072	2.7
135.11697	4.3
137.09607	3.7
139.11197	0.7
141.06975	1.0
142.07742	1.7
143.08556	6.9
143.71011	0.6
144.09271	0.8
145.06465	1.0
145.10126	12.9
147.08087	2.9
147.11679	7.3
149.09624	2.2
149.13257	3.3
151.11209	1.3
153.07166	0.7
155.08556	3.8
155.10608	0.7
156.09235	1.5
157.10129	12.6
157.11313	0.9
158.10768	0.6
159.08058	1.8
159.11705	17.9
161.05984	1.6
161.09570	3.2
161.13258	5.0
162.06274	0.8
163.11218	2.0
163.14839	1.2
165.12770	1.0
167.08597	1.2
167.10680	1.2
169.10144	6.6
170.10855	1.0
171.11711	9.1
173.09618	2.8
173.13255	7.3
175.11192	3.0
175.14850	2.1
177.12758	2.2
179.08380	0.6
180.09254	0.5
181.10139	2.3
182.10909	1.4
183.11688	8.3
184.12422	0.8
185.13268	9.2
187.11186	1.6
187.14801	4.7
189.12769	1.6
189.16400	1.3
191.14331	1.4
193.10190	1.2
193.12245	2.0
195.11723	4.2
195.13324	0.7
196.12451	0.8
197.13312	5.8
198.13680	1.5
199.11299	1.3
199.14861	7.1
201.12787	2.5
201.16370	2.5
203.14328	2.6
205.15895	2.1
207.11743	1.6
208.12433	0.7
209.13301	3.7
210.13904	0.8
211.11314	0.6
211.14804	4.1
213.12746	0.9
213.16371	3.6
215.14365	1.6
215.18025	1.2
217.12457	0.7
217.15936	2.6
219.17484	0.6
221.13298	1.7
223.14850	3.0
225.12703	1.9
225.16386	7.5
226.13118	1.2
227.14345	1.0
227.17955	2.7
228.14745	0.6
229.15865	1.4
231.17488	1.2
233.15413	0.7
235.14793	2.1
237.16394	3.6
239.14363	0.9
239.17836	3.4
241.15884	0.9
241.19598	0.9
243.17439	7.0
245.15245	1.2
245.18976	0.9
249.16487	1.5
251.17932	3.4
253.19524	1.5
255.17427	2.2
257.18979	1.2
261.18634	1.4
261.22162	0.5
263.17963	1.5
265.19510	2.0
267.17395	0.9
267.21121	0.7
269.18948	1.3
271.20636	0.8
277.19357	0.9
281.18839	0.7
283.20584	1.1
291.20999	1.0
293.22662	2.1
295.20767	0.9
305.22592	1.0
309.22021	3.8
311.23688	2.2
319.24069	0.8
321.25635	0.6
323.23770	2.7
325.25168	0.8
327.23257	2.4
337.25327	2.2
341.24713	1.7
347.23645	0.6
349.25418	1.6
353.24619	1.5
355.26349	2.8
365.24808	1.4
367.26251	2.7
383.25815	0.9
389.20126	1.1
391.30136	0.8
403.29932	1.5
409.31247	1.7
413.26831	4.5
421.31027	2.3
427.32141	1.7
431.29410	0.9
435.32819	0.9
437.30249	0.9
439.32077	3.4
449.30469	4.1
453.33694	1.4
455.31726	1.1
467.31543	5.9
471.34753	1.2
485.32617	100.0
486.32858	4.7
526.35291	3.5
527.25574	4.4
527.36951	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	527.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01867	1.7
55.05522	5.7
57.03439	1.0
57.07057	1.8
59.04987	1.4
65.03926	1.7
65.32034	0.8
66.12551	0.7
67.05177	1.2
67.05510	15.8
67.05854	0.7
69.03434	0.9
69.07069	5.8
69.43588	0.7
71.04985	2.3
74.87484	0.7
74.95786	0.6
78.85963	0.7
78.99715	0.6
79.05064	1.3
79.05496	20.8
81.03408	4.8
81.07059	58.3
83.04993	3.8
83.08618	3.8
85.06548	3.9
91.05483	15.1
93.07047	16.6
95.05005	4.2
95.08613	13.4
97.06537	2.6
97.10154	2.8
98.20686	1.4
99.08086	2.4
103.05464	1.1
105.03381	1.1
105.07031	17.5
107.04959	1.9
107.08590	15.9
109.06517	23.2
109.10164	12.0
111.08077	2.4
113.78498	0.8
114.80817	0.6
115.05500	1.2
116.06212	0.8
117.07017	5.9
119.08589	24.3
121.06513	3.0
121.10140	9.8
123.08070	9.2
123.11707	3.9
125.09632	3.6
128.06198	1.9
129.07013	7.3
130.07771	1.6
131.08562	11.7
133.06490	2.9
133.10123	12.7
135.04364	1.1
135.08069	7.6
135.11691	5.6
137.09637	5.9
137.13205	1.2
139.11229	0.9
141.06964	2.3
142.07744	4.0
143.08563	10.8
144.09358	1.9
145.06490	1.2
145.10132	16.3
147.08025	3.8
147.11694	9.4
149.09615	12.0
149.13210	1.7
151.07542	1.3
151.11176	2.7
153.06993	0.9
153.12717	0.9
155.08533	5.6
156.09337	3.2
157.10132	23.3
158.10947	1.1
159.08037	2.2
159.11703	18.0
161.05991	4.5
161.09668	4.5
161.10866	1.0
161.13252	4.9
163.11174	5.4
165.06987	1.1
165.12750	2.3
167.08527	1.8
168.09361	2.5
169.10107	9.1
170.10924	2.6
171.11694	13.5
172.12291	0.8
173.09589	3.5
173.11813	0.9
173.13239	6.8
175.11147	5.1
175.14845	1.9
177.12782	2.5
179.08606	2.1
179.10683	1.8
179.14337	1.1
181.10123	3.8
181.12251	0.9
182.10956	1.5
183.11719	11.0
184.12492	1.0
185.09627	0.8
185.13254	13.4
187.11215	2.7
187.14818	8.3
189.11324	0.8
189.12737	4.5
191.10791	0.8
191.14296	1.0
193.10309	1.5
193.12233	5.5
195.11658	4.7
196.12506	1.1
197.09633	0.9
197.13298	7.0
198.13962	0.8
199.11252	4.0
199.14804	4.3
201.12767	9.2
201.16415	2.1
203.14336	7.2
203.17839	0.8
206.10931	1.1
207.11681	3.5
208.12662	1.3
209.13216	4.0
211.11258	0.9
211.14833	9.0
213.12747	3.1
213.16370	3.5
215.14331	4.2
217.15974	2.0
221.13303	4.6
221.15161	0.8
222.14099	1.3
223.14874	3.2
225.12788	2.6
225.16335	5.0
226.17134	2.7
227.14302	2.4
227.17944	37.4
229.15894	4.1
229.35439	1.1
231.11678	0.9
231.13860	0.9
231.17465	1.1
232.12611	0.7
233.13264	1.4
234.14183	0.9
235.14816	2.6
236.15765	1.1
237.16490	1.5
239.14325	2.0
241.15970	2.7
241.19540	1.1
243.13768	1.2
243.17436	5.0
244.18340	1.4
245.15398	1.4
245.16534	0.9
245.19011	13.5
247.14734	1.1
249.16492	2.1
251.17915	2.5
253.15845	1.1
255.17537	1.6
259.16974	1.6
263.17810	1.1
265.15915	1.9
267.17413	1.7
269.19049	9.3
271.17148	1.0
271.20422	1.6
275.17978	1.4
279.17398	1.2
285.18433	1.7
287.20071	25.0
291.21042	1.6
293.19006	1.1
295.20508	1.4
307.20612	2.5
309.18793	1.6
309.22168	4.5
311.20190	1.0
327.23215	1.5
333.22119	1.7
335.23676	5.2
349.25250	3.5
351.23120	7.2
353.24713	4.3
359.23715	1.7
363.88019	0.8
365.47168	0.9
367.26489	1.3
377.24756	9.8
383.24072	1.1
395.25790	15.4
425.26807	1.9
431.29553	2.2
437.26904	8.3
449.30313	3.6
453.33963	1.1
455.27945	100.0
467.31516	2.5
491.31540	1.2
509.32675	2.3
527.37842	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	527.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01880	13.0
55.05515	16.0
55.60600	1.4
57.03428	1.8
57.03727	1.6
57.07057	4.5
57.23465	1.6
65.03933	1.6
67.05505	25.9
69.03416	5.6
69.07065	8.4
71.04998	2.4
71.56091	2.4
77.42401	1.5
79.05146	1.3
79.05495	16.6
81.03418	18.0
81.07066	15.2
83.04993	12.3
83.08633	8.1
88.27081	1.4
91.04957	2.6
91.05481	29.0
93.07050	18.0
95.04970	9.9
95.08612	15.4
97.06503	1.9
97.10171	5.5
99.75708	1.9
103.05471	3.6
105.03422	2.6
105.07026	28.1
107.04948	3.8
107.08602	17.9
109.06518	5.6
109.10163	15.2
111.08000	2.3
115.05440	5.3
116.06226	2.1
117.07027	24.4
119.08578	27.8
121.06485	1.9
121.10149	15.0
123.07999	1.8
123.11733	3.4
125.09617	4.3
128.06209	6.0
129.07014	19.9
130.07819	8.6
131.04944	2.3
131.08574	17.6
133.06483	1.6
133.10143	22.8
135.08028	5.9
135.11705	5.7
137.09624	3.0
141.06961	4.4
142.07797	5.3
143.08574	14.8
144.05670	1.9
144.09361	2.2
145.06511	12.3
145.10139	28.3
147.08051	82.3
147.11694	11.8
149.09605	4.8
149.13292	3.0
153.09122	2.8
155.07323	1.6
155.08545	8.9
156.09341	6.3
157.10147	30.5
158.07295	9.8
158.10844	1.7
159.08061	10.3
159.11723	18.0
161.09619	19.9
161.13249	4.5
163.07501	3.2
163.11189	2.7
165.06996	2.0
167.08591	3.4
168.09250	2.0
169.10078	7.5
170.10953	11.2
171.08000	1.9
171.11682	25.9
173.05981	3.3
173.08099	2.7
173.09619	55.0
173.13248	12.4
175.07422	2.3
175.11214	7.8
175.14816	5.4
177.09143	2.0
179.08569	3.3
181.10133	4.6
183.08034	1.9
183.11668	4.8
184.12321	2.2
185.09659	3.6
185.13254	35.0
187.07581	7.9
187.11255	7.3
187.14799	6.7
189.09143	2.6
189.12704	6.5
189.16386	1.8
191.10606	2.4
193.08527	1.9
193.10103	3.6
193.12265	7.8
193.14073	1.5
194.10887	2.0
195.11731	5.4
197.09615	5.4
197.13284	14.9
199.11252	2.0
199.14854	21.9
201.16418	1.8
203.10678	5.4
203.14328	9.1
206.10899	2.4
207.11697	5.0
209.09616	2.3
209.13213	4.2
211.11223	3.4
213.12839	4.1
217.12262	3.5
217.15881	3.7
218.10954	2.5
219.11728	3.2
219.13788	7.1
223.11140	4.1
223.14763	3.7
225.12637	2.6
225.16258	1.9
227.14307	6.6
229.12349	1.7
231.11714	2.6
231.13745	5.9
233.13231	2.6
235.13133	2.2
237.12718	5.9
239.10669	6.5
239.14310	2.2
243.13828	3.6
245.15373	41.8
246.16089	2.3
247.11084	3.7
247.14850	1.8
248.11922	2.0
249.12666	1.7
261.12720	4.6
263.13828	2.6
263.16428	33.7
265.12311	16.5
273.12927	2.1
273.16205	1.9
275.14301	4.8
279.13766	11.2
288.14951	2.0
289.12311	2.9
289.15726	4.0
291.17401	2.0
293.15216	5.0
297.14990	2.8
301.15878	2.9
303.13806	4.6
303.17331	4.3
317.15427	2.0
317.18893	3.5
321.14767	2.4
324.14111	1.5
329.18939	1.8
331.16986	2.5
331.20557	16.8
345.22226	7.6
345.25708	1.6
349.17844	3.8
358.19388	2.2
363.22995	6.0
373.16922	2.2
373.21625	52.0
391.22665	100.0
409.23688	37.4
427.24704	5.3
453.33688	2.3
455.26807	2.9
509.29077	12.9
509.35684	2.8
527.29517	6.3
527.37292	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.6
51.99686	0.5
53.03936	2.4
55.01866	2.0
55.05269	0.9
55.05515	13.4
56.26131	0.5
56.43345	0.6
57.03423	2.3
57.33821	0.5
65.03928	1.6
67.05511	22.8
69.03413	1.2
69.07076	5.7
69.95844	3.1
70.99979	0.6
71.04990	1.5
79.05501	25.2
81.02988	0.9
81.03427	15.0
81.07066	19.7
83.04991	5.5
83.08622	5.2
85.02872	0.8
85.06499	0.7
89.03917	3.8
91.05489	20.7
93.07051	20.4
95.04976	7.8
95.08617	11.5
97.02917	0.8
97.06543	1.5
97.10182	2.7
103.05470	1.3
105.03371	0.7
105.04515	1.3
105.07038	14.3
107.04955	2.4
107.08600	11.6
109.06538	1.4
109.10177	6.4
111.08112	1.4
115.05453	1.1
117.03389	13.2
117.07020	5.1
119.07790	1.0
119.08590	12.0
121.06548	1.6
121.10144	7.4
123.08064	1.5
123.11690	0.8
125.09637	2.6
128.06253	1.1
129.07040	4.3
131.04910	1.4
131.08578	9.4
133.06499	1.1
133.10150	5.8
134.03603	0.6
135.08058	2.0
135.11714	4.5
137.09619	0.8
141.06993	1.3
142.07764	1.0
143.08591	4.6
144.09303	0.6
145.02856	33.6
145.06482	1.2
145.10149	5.8
147.08069	2.3
147.11685	3.7
149.06023	4.4
149.09636	1.2
149.13269	1.9
151.11176	0.6
155.08571	2.2
156.09305	0.8
157.10118	5.4
159.08052	3.0
159.11707	4.1
161.09650	3.6
161.13246	1.5
165.12679	0.8
167.08548	1.3
169.10170	3.7
170.10895	0.6
171.08035	1.4
171.11707	4.1
172.08913	0.5
173.09680	5.5
173.11873	1.0
173.13257	3.1
175.11238	2.7
175.14793	1.3
177.05486	100.0
181.06532	0.7
181.10138	1.9
183.08180	0.7
183.11719	3.2
185.09642	1.4
185.13268	2.3
186.05540	1.8
186.10423	0.8
187.11201	1.9
187.14870	0.7
189.09166	1.3
189.11205	1.4
189.12730	1.3
193.10500	0.8
193.12260	5.3
194.10921	0.7
195.06500	0.7
195.08104	0.7
195.11685	2.1
197.09679	1.6
197.13329	2.0
199.11232	2.2
199.14844	1.4
201.12816	2.1
206.10941	0.7
207.11754	1.7
209.09642	0.8
209.13297	2.7
211.11220	2.1
211.14876	2.0
213.12744	3.1
213.16359	0.9
218.67729	0.6
219.11804	0.7
221.13260	2.0
221.15219	0.6
222.14014	0.7
223.11214	1.1
223.14783	1.4
225.12682	1.9
227.14377	1.3
231.13918	1.6
233.13307	0.9
235.11166	1.0
237.12810	2.2
237.16434	1.3
238.13597	1.4
239.14307	1.0
244.12421	0.6
251.09142	2.6
251.14346	1.5
251.17979	0.9
252.15251	0.8
259.20529	0.8
261.16370	0.9
261.22235	1.0
269.19205	0.8
274.13715	0.6
279.17453	1.7
289.15936	0.7
291.17368	0.6
293.15231	1.0
301.25226	1.0
305.19128	0.8
317.15720	0.8
319.16736	0.8
331.17142	3.3
331.20575	0.7
333.24301	1.7
345.18576	0.8
345.22198	1.4
347.20102	7.4
349.21686	2.3
358.19440	1.0
361.21701	2.6
363.23251	1.4
373.21655	17.6
379.22781	1.8
391.22647	11.0
409.23779	15.2
427.25262	0.9
435.32751	2.6
449.23483	0.9
449.30951	0.7
453.33691	3.4
471.34860	2.1
500.93515	0.6
509.36450	1.2
527.30023	2.0
527.37354	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	527.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01860	3.8
55.05515	16.3
57.03423	5.4
57.07061	1.5
61.02928	11.8
67.05510	16.5
69.03427	5.7
69.07063	9.9
69.82377	2.8
69.82795	5.3
71.05005	2.0
73.02898	5.4
79.05063	1.8
79.05496	19.5
81.03415	3.6
81.07066	25.0
83.04976	4.0
83.08633	6.2
85.02914	12.2
87.04475	1.4
87.87805	1.2
91.03992	6.4
91.05489	31.6
93.07057	25.9
95.04960	3.6
95.08611	20.4
97.02917	8.2
97.06523	4.4
97.10168	3.8
103.05486	1.9
105.07040	31.9
107.04953	4.4
107.08582	13.1
109.06502	5.4
109.10149	7.0
111.08105	2.3
115.05444	2.8
117.07033	19.6
119.04951	1.3
119.08593	19.8
119.42361	1.1
121.06497	5.1
121.10157	8.9
123.08060	5.2
125.09622	4.0
127.03933	2.8
128.06215	10.7
129.07027	13.9
130.07796	5.7
131.08575	40.3
133.06537	7.2
133.10138	12.6
135.04408	1.2
135.08038	3.9
135.11676	4.2
137.09605	1.5
139.11208	2.2
141.07013	6.2
142.07747	3.8
143.08569	48.9
144.09348	1.8
145.04863	1.2
145.06487	2.4
145.10135	47.1
147.08063	8.4
147.11703	4.0
149.09637	4.7
151.07544	2.3
155.08505	6.2
156.09320	1.5
156.79495	1.2
157.10138	14.4
159.08058	3.6
159.11702	11.4
161.09644	7.2
161.13295	1.3
163.11214	4.1
165.07002	1.6
166.07777	1.5
167.08588	2.0
169.10127	8.8
171.08020	2.0
171.11702	13.0
173.09596	3.3
173.13269	2.0
175.11174	4.4
177.12778	2.3
179.08591	1.2
181.10123	7.9
183.11687	6.4
185.09619	2.7
185.13240	3.8
187.11253	1.6
195.11696	13.0
197.13333	1.8
199.11061	3.1
199.14818	2.6
201.12796	3.3
209.13342	1.9
213.12761	3.0
227.17966	3.2
237.16397	15.3
245.18997	3.4
255.17487	13.9
273.18506	37.6
279.95685	1.3
282.19257	2.0
291.19504	1.5
329.21124	2.3
330.21466	5.1
347.22195	100.0
348.22678	2.0
355.18121	1.1
365.23108	4.9
389.21066	3.5
467.30463	1.3
527.28235	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	527.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01874	17.6
55.05508	14.2
57.03430	4.3
58.53852	3.2
60.78333	3.1
67.05513	29.7
69.03440	7.4
69.07065	9.2
71.04975	2.6
71.54871	4.6
71.55227	3.5
74.59099	2.9
79.05503	29.9
81.03441	26.9
81.07061	22.6
83.04993	16.9
85.02909	14.0
87.22380	3.3
87.62804	3.2
91.05486	37.3
93.07052	25.8
94.12654	3.3
95.01363	4.0
95.04983	30.2
95.08614	18.2
97.06526	7.8
103.05438	7.8
105.03375	9.6
105.07041	43.0
106.48923	3.0
107.04948	16.0
107.08585	23.9
109.06512	20.1
109.10154	13.1
115.05419	14.9
116.40342	2.9
117.07032	28.6
118.07735	3.0
119.08604	50.2
121.06514	11.0
121.10123	21.4
123.04366	3.4
123.08103	5.5
125.09709	4.8
128.06230	8.6
129.07013	28.0
130.07797	8.1
131.04901	15.4
131.08569	29.7
133.06549	11.8
133.10156	25.3
135.08083	14.2
135.11697	3.3
141.06914	7.8
142.07819	9.4
143.08582	25.6
144.09325	4.1
145.06496	21.7
145.10144	38.0
147.08060	77.8
147.11708	10.9
149.09653	20.1
155.08572	13.2
156.09358	12.9
157.10149	38.5
158.07254	9.3
159.08095	22.6
159.11705	25.3
160.08830	3.7
161.06020	6.9
161.09618	25.6
163.07541	21.2
163.11244	4.1
165.07080	4.9
167.08652	8.0
168.09341	6.5
169.10158	23.3
170.10921	6.2
171.08038	12.4
171.11725	36.0
173.09644	100.0
173.13268	18.9
175.07568	8.4
175.11198	15.4
178.07719	4.3
179.08585	8.5
181.10175	12.1
182.10918	7.5
183.08063	6.1
183.11694	25.4
185.09593	18.2
185.13235	16.5
187.07545	3.4
187.11221	20.9
187.14841	3.9
189.09013	3.9
189.12708	5.8
191.10703	4.3
192.09262	6.6
193.10162	11.5
194.10883	7.3
195.11659	15.9
196.12535	5.4
197.09605	11.4
197.13304	19.2
199.11205	10.3
199.14848	4.9
201.09117	3.8
201.12775	9.4
203.10696	4.7
205.10179	5.9
206.10921	11.4
207.11749	18.1
208.12529	5.2
209.09616	8.6
209.13286	17.6
210.10315	5.8
211.11172	8.5
211.14844	7.9
213.12712	18.4
215.10710	5.6
215.14336	15.1
217.12195	4.6
219.11768	11.3
220.12460	9.7
221.13301	17.3
222.13887	4.2
223.11208	8.3
223.14812	12.1
224.11996	5.0
225.12794	11.3
227.14368	5.4
229.12210	5.5
230.10715	4.5
231.11696	4.9
232.12497	5.5
233.13435	4.2
233.15459	4.0
234.14067	7.8
235.11281	5.6
235.14862	15.8
237.12715	5.8
237.16458	6.0
239.14348	9.7
243.11606	4.1
243.13922	8.7
245.13234	4.3
247.11165	4.5
247.14871	7.6
249.12808	8.5
249.16451	13.7
251.14412	7.3
253.15948	4.1
257.13309	4.4
260.11722	3.6
261.16504	4.0
263.14423	5.4
265.15997	5.8
267.17532	7.9
271.11215	4.5
275.14331	6.3
277.15958	7.2
293.19061	4.9
295.16910	6.8
299.14490	4.0
301.16248	3.8
303.17587	8.8
305.19006	7.2
313.15701	4.3
315.17410	5.6
317.18951	5.2
321.18555	5.6
329.18881	5.0
331.16833	4.6
331.20435	9.3
333.22205	19.6
335.20038	4.5
343.20682	33.5
345.18558	8.7
347.20132	5.5
349.17810	3.5
359.20004	7.1
361.21655	65.8
371.20148	18.2
379.22720	17.7
389.16238	3.9
389.21185	74.0
391.22626	8.4
405.20581	5.2
407.22290	31.1
409.24234	3.9
449.23123	10.4
467.24234	28.0
467.31427	11.5
527.26263	17.9
527.34106	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	526.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25378	1.3
55.05514	3.9
57.07079	59.5
58.31805	1.3
64.12901	1.4
67.05491	4.5
69.07074	9.7
70.67006	4.1
70.96236	1.4
71.08637	55.7
71.14706	1.4
73.06551	5.1
74.84602	1.8
81.03426	3.5
81.07064	2.6
83.08613	5.1
85.10188	33.9
87.04469	4.6
89.06039	100.0
91.05493	2.8
93.07019	1.9
95.08596	5.3
97.10177	4.0
99.11723	7.2
107.07069	1.8
109.10193	2.4
111.11736	3.2
113.13304	7.6
113.51341	2.0
117.09135	3.3
119.08617	2.1
125.13254	1.4
127.14831	3.1
130.08678	2.3
131.08562	1.5
133.08612	65.6
134.35268	1.7
177.09842	2.6
177.11234	27.9
183.21065	1.5
191.32910	1.4
221.13844	8.0
236.48558	1.7
239.14966	4.2
271.26294	6.2
283.17520	4.7
310.14139	1.9
315.28925	8.1
327.20169	30.8
421.35123	2.9
465.37610	3.1
509.40555	34.1
526.34558	2.0
526.42407	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	527.2639
Annotation	Kosamol A
Peak:m/z	Relative Intensity
53.03947	1.7
55.01869	2.3
55.05498	3.1
67.05495	8.1
69.03423	4.9
69.07043	1.3
79.05502	9.6
81.03425	8.0
81.07056	4.7
83.04980	5.1
85.02901	12.4
87.30756	1.1
91.05492	13.6
93.07046	12.0
95.04967	27.8
95.08612	4.9
105.03447	1.9
105.07037	21.7
107.04964	5.3
107.08602	10.4
109.06528	6.7
109.10163	2.0
115.05447	3.0
117.07009	4.7
119.04952	1.3
119.08585	21.4
121.06501	6.5
121.10154	4.3
123.08096	3.0
128.06253	3.7
129.06984	7.2
130.07710	1.5
131.04964	1.6
131.08551	12.1
133.06491	9.0
133.10135	5.3
135.08011	6.5
137.09566	1.2
141.07033	3.3
142.07794	6.3
143.08556	9.6
144.09328	2.2
145.06499	15.8
145.10124	14.6
147.08040	8.8
149.09613	6.4
153.06969	2.3
154.07817	2.7
155.08575	6.6
156.09355	5.3
157.10118	14.9
158.07298	1.7
159.08073	7.4
159.11644	7.2
161.09654	4.2
163.07632	1.1
165.06972	3.7
167.08586	3.3
168.09296	2.8
169.10115	16.4
170.10909	3.0
171.08109	5.4
171.11652	8.8
173.09599	7.2
173.13274	2.3
175.11163	2.5
177.09158	3.1
179.08527	6.0
180.09256	2.8
181.10167	6.7
182.10825	1.5
183.08063	3.2
183.11641	8.3
184.12527	1.5
185.09627	10.6
185.13193	6.1
187.11160	10.6
191.08569	1.2
192.09344	3.8
193.10094	8.0
194.10956	4.9
195.11702	9.2
196.08926	1.5
196.12495	2.7
197.09625	3.3
197.13266	4.5
199.11258	5.1
201.12625	2.9
204.09283	2.1
205.10121	5.3
206.10907	8.8
207.11716	9.7
208.12495	3.6
209.09653	3.5
209.13255	10.1
211.11227	5.7
211.14848	4.5
212.11943	1.7
213.12726	13.2
215.08621	1.3
215.10481	2.3
216.09361	2.1
217.10126	4.2
218.10918	2.5
219.11691	6.5
220.12491	7.8
221.13268	14.9
222.10355	1.4
222.13966	1.7
223.11241	4.6
223.14699	5.4
224.11942	1.6
225.12794	4.6
225.16365	3.0
227.14342	4.2
229.10117	3.0
230.10878	2.3
231.11700	5.8
232.12524	3.5
233.09554	1.6
233.13188	8.2
234.14043	2.7
235.11299	2.4
235.14816	15.0
236.15527	1.3
237.12807	5.3
237.16380	6.6
238.13620	2.6
239.10706	1.3
239.14354	6.2
241.12167	1.9
242.10938	1.8
243.11737	5.9
244.12511	4.2
245.09532	1.6
245.13213	8.0
246.14090	3.5
247.11081	1.4
247.14865	8.7
249.12756	3.5
249.16373	5.7
251.14287	2.6
253.15874	9.7
255.13882	1.8
256.12518	1.7
257.13232	4.4
258.14111	3.1
259.14859	6.7
260.11905	2.0
260.15680	2.7
261.12747	2.8
261.16367	4.6
263.14346	3.6
265.15927	3.0
267.14096	1.8
267.17459	3.0
269.13101	2.3
269.15683	2.2
270.13937	1.8
271.14865	2.7
273.12766	2.6
273.16449	3.2
275.14340	2.9
275.17987	8.2
277.15979	6.2
277.19617	1.9
281.15491	2.8
283.14935	1.8
285.12839	3.1
285.16342	1.9
286.13654	2.3
287.14346	2.8
287.17932	1.6
288.15042	1.7
289.16019	2.1
289.19452	1.4
291.17337	1.6
293.19046	3.6
299.14398	2.3
299.17776	2.0
300.15085	2.2
301.16064	2.0
303.17465	4.5
305.15335	3.0
305.18881	1.9
307.16821	3.3
313.15924	2.7
315.17532	5.3
315.21146	4.5
317.19110	3.6
321.18530	2.8
325.19437	2.0
327.17349	4.4
328.18234	2.0
329.18942	1.6
331.20752	1.7
333.18527	2.5
333.22165	8.5
342.19955	1.4
343.16473	2.8
343.20557	40.6
345.18417	9.2
347.20132	1.8
353.18866	2.7
359.20020	1.5
361.17349	2.4
361.21622	33.8
371.20062	12.2
373.21814	2.0
379.22662	6.7
389.21060	18.7
407.22314	5.0
431.22202	5.9
449.23318	4.9
467.24274	4.9
527.26410	100.0
528.26691	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.7
55.05267	1.1
55.05516	15.0
57.03438	12.8
57.07075	4.4
59.04994	2.7
65.03947	3.1
67.05509	100.0
69.06725	1.2
69.07076	15.7
69.96404	1.1
71.04984	2.1
71.08620	2.5
71.55594	1.3
73.23653	1.1
79.05497	9.2
81.07062	41.0
83.05004	1.4
83.08629	13.4
85.06538	3.4
85.10182	1.7
87.04459	1.4
89.06036	20.2
91.05486	9.9
93.07056	11.1
95.04980	1.0
95.08617	29.9
97.06524	2.5
97.10175	4.9
105.07037	3.8
107.08578	5.8
109.10164	74.9
111.08095	4.1
119.08592	8.0
121.10149	4.7
123.11746	5.2
133.08617	11.3
133.10149	2.9
135.11674	3.0
137.09618	3.2
137.13243	1.3
147.11650	1.9
155.10661	4.9
155.75679	1.1
161.13324	1.5
163.14798	1.4
167.65820	1.2
173.11739	16.8
175.14903	1.6
177.11217	4.7
213.16875	1.1
229.14371	85.5
245.22568	1.8
263.23715	4.7
327.20163	15.6
337.27374	92.2
464.67258	1.1
473.30844	1.0
491.37369	70.8
497.94034	1.1
544.69708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54410	2.1
53.03932	4.6
55.01871	3.7
55.05267	2.3
55.05513	24.5
56.29566	1.8
57.03442	4.0
57.07083	16.0
65.03963	3.8
67.05183	2.3
67.05507	34.4
67.84271	1.8
69.03429	10.0
69.06731	3.6
69.07076	58.8
69.41078	4.4
69.41485	11.6
70.06563	1.9
71.04993	4.9
71.08625	6.0
78.09017	1.9
79.05500	18.0
81.03432	6.0
81.07064	100.0
83.04976	3.4
83.08617	36.0
85.02914	26.4
85.06558	18.8
91.05480	13.7
93.07059	38.8
95.04980	4.7
95.08614	98.2
97.02901	3.1
97.06538	7.7
97.10182	21.4
99.08113	14.2
105.07037	25.5
107.08601	49.3
109.02884	3.1
109.06532	3.5
109.10165	77.3
111.08086	14.2
111.11726	23.6
113.09661	6.1
117.07011	2.2
119.08593	20.5
121.06530	2.1
121.10162	33.2
123.08051	2.3
123.11713	48.3
125.09631	5.3
125.13263	18.0
127.03944	9.0
131.08577	3.3
133.06450	2.3
133.10188	10.5
135.11703	27.2
137.09618	3.7
137.13283	17.4
139.11197	3.7
139.14790	2.5
141.12732	2.6
145.04982	8.1
145.10194	5.1
147.11679	15.6
149.13269	32.5
151.14832	10.6
153.12743	2.2
155.08533	2.4
157.10120	3.4
159.11714	5.3
161.13272	16.5
163.05989	3.1
163.14854	13.8
167.14384	5.6
169.10164	5.3
169.15886	7.1
171.11731	4.2
175.14833	6.4
177.16379	8.8
179.17932	4.3
181.15865	4.2
181.19518	3.0
189.07646	4.3
189.16360	3.9
191.17946	33.0
195.11591	2.2
205.19521	7.1
206.10954	3.4
207.21097	8.0
208.12317	2.7
209.13338	2.4
209.19016	4.6
217.19537	35.0
219.12024	1.9
221.13292	3.5
222.14018	2.8
223.20634	6.3
225.12759	1.9
225.22107	22.9
227.20065	3.2
233.22734	5.6
235.15010	2.8
235.20587	53.1
235.22786	3.9
237.16409	6.8
245.06349	5.8
251.23650	7.3
253.21655	41.1
259.16809	3.9
261.25824	2.7
273.25797	8.5
277.17795	5.2
279.26755	4.2
281.60715	2.0
289.05380	4.0
291.26831	33.3
297.27951	2.5
309.27899	10.8
327.29041	10.0
331.20593	3.6
345.30026	3.5
359.20081	8.4
361.18127	8.2
377.21075	4.1
379.24612	2.9
387.19571	4.3
405.20395	4.3
411.19559	4.1
439.23135	4.9
447.21606	12.3
463.23026	2.2
481.24066	16.0
484.19443	2.0
507.22153	3.5
525.23169	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	525.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	25.9
57.07055	10.8
67.05507	27.6
69.03414	11.3
69.06728	6.5
69.07070	65.7
70.11017	7.2
70.11418	6.5
71.04987	9.8
71.08613	3.1
78.43506	3.5
79.05492	17.4
81.03426	7.2
81.07059	100.0
83.08627	22.0
85.02912	24.3
85.06527	13.3
91.05494	9.7
93.07050	25.0
95.04986	5.6
95.08055	5.5
95.08614	81.8
97.02866	10.7
97.06524	6.5
97.10150	8.2
97.36175	3.2
99.08080	10.3
100.11256	5.0
103.05455	5.5
105.07034	17.8
107.08603	27.6
109.02943	4.2
109.06538	4.4
109.10155	57.4
111.04429	5.2
111.08068	4.6
111.11710	10.0
113.09612	8.5
118.98447	3.2
119.08582	11.0
121.10154	26.4
123.11719	35.3
125.09602	6.8
127.03898	9.6
131.04927	5.7
131.08578	5.4
132.05258	5.2
133.06468	13.1
133.10126	10.8
135.08044	6.6
135.11719	19.1
137.05981	61.2
137.13225	9.4
138.06331	23.9
139.11179	18.8
145.10114	6.2
147.11671	7.1
149.13266	29.3
151.03864	5.6
151.07521	4.6
151.14844	3.6
157.10078	4.0
159.11781	4.7
161.13254	7.8
163.06212	4.9
163.07510	17.2
163.14777	8.1
164.07909	12.9
165.16385	3.5
167.07043	3.6
167.14278	5.0
175.07625	4.2
175.56789	3.3
177.16382	7.3
182.08192	3.4
191.17885	5.8
191.96933	3.9
205.19508	24.0
205.21132	4.1
213.37564	3.4
217.19511	5.1
223.20589	8.3
235.20525	3.8
261.25815	13.9
273.25623	8.9
279.26837	29.6
289.05246	4.8
291.26877	51.2
296.13510	11.8
309.27863	79.9
325.51178	3.4
327.15848	9.8
327.28934	12.0
328.16473	19.5
332.25943	3.3
440.02222	3.6
525.23401	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	525.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01862	4.1
55.05513	16.6
57.07070	5.5
64.24164	2.8
64.48400	2.7
67.05511	24.0
69.03426	7.2
69.07074	31.7
70.72282	6.0
71.04965	5.6
76.98772	2.8
79.05486	16.4
81.03423	9.1
81.06584	4.9
81.07062	100.0
83.04962	5.0
83.08614	14.0
83.44061	3.3
85.02898	13.2
85.06542	8.2
91.05468	7.2
93.07048	32.3
95.04942	5.5
95.08615	73.0
97.02940	3.8
97.06536	7.4
97.10152	12.2
99.08084	12.0
105.07018	9.4
107.08606	31.4
109.02887	4.2
109.10155	63.0
111.11718	10.2
112.91303	3.0
113.09621	4.2
119.08559	14.2
121.06495	3.9
121.10128	19.3
123.04463	3.7
123.11708	28.3
125.09631	6.2
127.03911	7.4
131.08594	3.6
133.10098	7.4
135.08067	3.6
135.11690	18.2
137.06010	6.1
137.13254	12.8
139.11145	3.2
143.08548	5.5
145.10135	7.3
147.08087	4.7
147.11670	6.3
149.09549	3.3
149.13307	26.5
161.09535	4.2
161.13312	3.6
163.14813	9.4
165.09203	4.2
165.16396	3.6
167.14360	4.1
177.16386	8.3
181.15878	7.5
187.07527	3.9
191.17972	4.2
205.19495	14.3
217.19505	4.1
223.20624	7.9
261.25797	6.1
273.25739	12.2
279.26678	4.3
289.05292	8.9
291.26804	42.4
297.27866	7.1
309.27811	12.9
327.25339	3.6
327.28928	9.4
359.20093	4.8
481.24374	6.3
525.22894	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	525.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.4
55.01866	2.3
55.05512	13.7
57.03450	2.2
57.07066	6.0
61.02924	2.7
62.73263	1.9
65.03919	2.2
67.05505	25.3
69.03432	5.0
69.07069	36.6
69.58553	4.0
69.58961	8.8
71.05003	3.8
79.05494	15.7
81.03414	5.4
81.07059	100.0
83.08614	11.6
85.02923	11.2
85.06557	13.1
86.45226	2.2
91.05489	5.9
93.07048	30.5
95.04992	2.3
95.08607	87.8
97.06513	5.2
97.10184	11.8
99.04437	2.5
99.08084	9.0
105.07036	12.1
107.07967	2.9
107.08605	34.6
109.02872	2.6
109.10153	80.6
111.08075	5.7
111.11712	14.3
119.08565	7.5
121.10148	27.3
122.46659	1.9
123.11710	44.4
125.05980	3.4
127.03928	3.6
133.10136	6.3
135.11688	22.9
136.60056	2.0
137.05962	5.6
137.13255	19.6
139.11148	3.2
141.74551	2.2
145.04884	2.8
147.11678	5.1
149.13263	35.2
151.14796	5.1
153.12784	5.5
161.13225	4.7
163.14775	24.8
165.05406	2.6
165.16309	3.2
166.08600	2.4
167.14374	2.8
177.16418	12.6
181.15915	5.9
191.17915	9.8
201.86188	2.2
203.17986	3.1
205.19479	11.7
217.19597	5.0
241.17827	3.4
241.21584	3.1
247.24106	2.3
273.25699	7.4
279.26819	8.4
291.26840	53.3
309.27869	83.8
327.28925	17.5
345.29861	8.9
472.07187	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	525.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01857	3.5
55.05519	13.8
57.03433	2.6
57.07069	6.4
57.14265	1.8
67.05504	23.8
69.03419	4.0
69.07076	33.6
71.04990	3.5
71.55759	2.1
79.05506	15.8
81.03408	4.7
81.07061	100.0
83.08630	13.1
84.04501	2.6
85.02911	9.8
85.06553	19.6
91.05471	7.8
93.07050	33.2
94.06621	1.9
95.04957	2.3
95.06101	2.7
95.08615	83.0
97.02903	2.7
97.06529	4.9
97.10188	14.3
99.08104	9.6
103.03968	2.6
105.07021	7.9
107.08603	34.4
109.02868	3.1
109.10165	77.5
111.08094	7.0
111.11698	12.2
113.09641	3.2
114.89696	1.8
117.07029	2.5
119.08588	8.4
121.06501	2.9
121.10148	31.0
123.11715	37.1
125.05975	2.8
125.09671	3.9
125.13286	2.9
127.03918	5.5
127.11240	3.0
131.08591	2.0
133.10123	2.5
135.08142	2.3
135.11711	27.8
137.06000	10.2
137.13261	17.2
137.14183	2.5
139.11185	2.5
146.09613	1.9
147.11714	4.8
149.09665	2.4
149.12180	3.2
149.13264	34.6
151.14890	4.3
153.12714	3.3
161.13226	5.5
163.14841	21.6
165.16415	3.7
167.14267	4.9
175.14801	3.6
177.16391	13.4
179.17953	3.7
181.15854	4.4
183.13829	2.6
189.16309	2.4
190.05035	3.2
191.17947	9.3
201.77644	2.2
203.18074	2.2
205.19524	11.8
210.14926	2.8
216.31186	2.2
217.19537	3.8
245.22597	2.2
247.24216	5.4
273.25787	8.5
279.26801	7.6
291.26837	51.1
309.24313	4.2
309.27872	72.0
325.11899	3.0
327.28973	17.5
345.29999	4.4
445.12469	2.0
525.23553	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.9
55.01858	5.0
55.05506	7.1
65.03938	1.6
67.05513	12.4
67.24343	1.7
69.03422	4.9
69.07071	5.9
71.04987	4.2
71.55168	2.4
79.05061	2.3
79.05493	26.4
80.38606	1.7
81.03413	3.7
81.07061	66.5
83.04985	10.3
83.08649	2.9
85.06544	2.6
91.05478	25.0
93.07047	24.1
95.04958	7.2
95.08617	13.2
97.06529	5.6
103.05453	1.8
103.85184	1.5
105.07040	23.6
107.04970	3.1
107.08598	27.2
109.06525	28.2
109.10164	7.5
111.08072	5.4
115.05455	2.2
115.65540	1.8
117.07007	12.2
119.08589	27.4
121.06509	5.2
121.10155	16.0
123.08100	7.9
128.06227	4.7
129.07010	12.2
130.07747	2.4
131.04958	1.7
131.08572	28.2
133.06512	4.1
133.10155	19.3
135.08055	42.5
135.09003	3.3
135.11667	4.4
137.09624	17.3
141.06972	4.2
142.07771	7.0
143.08568	19.8
144.09288	2.2
145.06488	3.6
145.10120	43.8
146.10870	2.4
147.08095	9.4
147.11688	9.4
149.09628	44.1
154.07777	2.5
155.08569	10.2
156.09326	5.1
157.06499	2.4
157.10139	29.6
158.10863	1.9
159.08075	9.5
159.11732	14.0
161.05991	3.9
161.09636	14.0
161.13251	2.2
163.07512	2.7
163.11183	9.1
165.06958	4.4
167.08559	6.2
167.71442	1.7
168.09363	3.0
169.10155	13.2
170.10869	4.1
171.08028	2.5
171.11687	20.0
172.08784	3.1
173.09642	11.6
173.13264	8.6
174.10493	2.1
175.11195	12.0
177.09059	3.0
179.08560	2.4
179.10820	1.7
180.09363	4.9
181.10149	10.6
181.12190	2.7
182.10875	4.9
183.08049	2.7
183.11687	16.5
185.09595	5.2
185.13223	13.3
186.10411	5.7
187.07581	1.9
187.11180	22.0
187.14845	2.9
189.12746	6.9
191.10605	2.0
193.10130	3.7
194.10815	2.0
195.11703	13.0
196.12491	3.5
197.09688	2.8
197.13269	15.7
199.11206	11.1
199.14766	8.1
201.12758	16.3
201.16364	3.3
203.14275	1.9
207.11716	5.2
208.12527	2.9
209.00395	2.3
209.09654	2.3
209.13272	5.9
210.10403	1.7
210.14014	3.0
211.11047	2.0
211.14854	4.2
213.12759	15.1
213.16347	2.5
214.13477	1.9
215.14357	6.4
215.17873	2.9
217.12201	2.0
221.13237	4.9
223.11214	3.2
223.14784	6.8
225.12801	9.4
225.16347	14.7
227.14265	9.2
229.12300	2.4
229.15894	4.1
231.13895	2.5
233.13269	4.1
235.14687	3.7
237.12729	4.1
237.16501	3.0
239.14305	10.5
241.15868	13.8
243.13770	3.6
243.17470	40.8
245.85481	1.9
247.14839	2.1
249.16351	3.1
250.13521	2.4
251.14246	2.8
253.15897	6.9
255.17331	2.9
259.14764	1.7
261.16354	2.5
265.15869	3.5
267.17386	6.3
270.10379	1.9
271.17014	2.3
275.14297	2.7
277.15787	1.8
279.17413	3.5
279.20874	1.9
281.18985	14.6
283.17010	2.0
285.18533	22.7
289.19376	1.9
291.17496	2.6
305.19009	6.1
307.20499	9.9
325.21613	4.9
331.20599	2.1
333.21942	1.9
345.20770	4.0
347.23615	5.5
349.21643	11.4
351.23227	15.5
365.24640	3.1
375.23087	12.5
387.19626	4.1
393.24271	21.3
421.27344	52.2
423.25305	2.6
429.28320	2.2
435.25293	8.1
447.28912	7.5
453.26392	100.0
465.23453	2.6
465.29996	31.8
481.29495	5.1
507.31296	3.3
525.25067	4.6
525.32581	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	525.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.0
55.01866	15.8
55.05507	43.0
57.03424	11.8
59.05000	13.6
67.05508	92.4
69.03426	12.5
69.07059	23.7
71.01339	7.4
71.04987	40.4
71.55545	8.1
78.57663	4.3
79.05493	83.7
81.02992	6.1
81.03423	76.1
81.07059	68.9
83.04980	39.3
83.08637	32.6
85.02890	11.3
85.06538	13.7
87.04471	4.6
91.05486	92.7
93.07048	69.2
95.04979	52.2
95.08615	38.4
97.02901	9.7
97.06519	19.0
97.10183	23.2
99.08096	5.0
103.05491	8.3
105.03390	13.0
105.07037	57.2
107.04967	24.8
107.08611	51.9
108.82411	3.7
109.06517	21.3
109.10143	26.1
111.04438	10.2
111.08068	16.5
115.05476	8.0
117.07035	24.9
119.08579	57.9
121.06511	16.6
121.10148	43.4
123.04418	5.5
123.08057	9.6
123.11724	5.1
125.09610	21.4
128.06255	5.4
129.07018	25.3
130.21002	4.0
131.04924	16.0
131.08563	46.5
133.06500	22.5
133.10147	49.1
135.04390	16.6
135.08070	11.9
135.11688	11.8
137.05971	8.6
137.09621	8.3
139.11147	4.7
141.06964	9.9
142.07776	9.6
143.08565	18.5
144.05618	4.6
145.06512	18.6
145.10155	27.4
147.08092	19.7
147.11693	37.2
149.05989	4.6
149.09630	45.4
151.07559	7.1
151.11156	5.7
153.06966	5.4
153.09077	10.6
153.12711	7.0
155.08571	11.4
157.10133	41.2
159.08067	9.8
159.11710	11.4
161.05968	5.8
161.09648	9.3
163.07549	7.4
163.11220	25.0
169.10078	9.1
170.10785	5.2
170.35356	3.9
171.08046	8.2
171.11711	28.2
173.09636	18.1
173.13292	6.6
175.11238	30.4
176.76535	3.6
181.10135	10.8
181.12210	7.1
183.11681	15.2
185.09645	6.0
185.13274	13.6
187.11169	7.4
189.11195	8.5
191.10667	8.4
193.10371	5.2
193.12241	63.4
195.11755	9.0
197.09674	8.2
197.13388	4.9
197.15300	7.3
199.11156	10.7
199.13240	7.8
201.12732	6.0
203.14400	5.0
205.12199	7.2
207.11697	5.4
209.09636	5.7
209.11676	10.2
211.11212	10.7
211.13260	90.2
211.15266	7.0
213.12769	13.0
215.10712	7.0
219.08337	3.9
219.11707	4.0
225.12732	6.8
225.14812	16.8
227.10788	4.8
227.12708	19.4
229.12248	5.6
231.13844	9.1
233.11574	4.6
246.14053	6.6
246.95709	4.6
249.14763	23.7
267.15930	13.7
277.21649	13.6
283.15405	8.1
287.14230	6.1
323.88132	4.1
327.17807	5.9
331.16852	7.2
337.21521	7.1
345.18066	4.9
347.20062	5.2
355.22717	7.6
359.20029	6.0
365.21088	10.9
373.23648	8.7
383.22070	22.3
387.19476	4.7
389.21146	4.8
401.23148	36.1
405.20508	10.1
406.33997	4.4
407.22079	6.8
415.24832	6.0
419.24268	8.9
433.25665	22.1
451.26630	9.6
457.25818	7.8
465.22592	11.8
475.26950	33.7
489.28967	5.0
493.28113	28.6
507.29645	100.0
525.22913	23.7
525.31171	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76628	4.6
51.53922	4.4
53.03944	5.8
55.01865	11.6
55.05512	53.3
67.05490	16.1
69.03414	12.7
69.07062	15.7
69.25187	50.5
79.05507	40.2
81.03419	15.5
81.07047	21.0
83.04985	68.9
85.02907	18.6
91.05480	78.2
93.07041	36.9
95.04972	18.0
95.08607	20.3
97.06535	12.0
97.64084	4.6
101.91067	5.3
103.05464	22.3
105.03404	10.3
105.07031	60.9
107.04959	12.9
107.08596	31.4
107.09207	4.7
109.06516	9.7
109.10148	6.4
115.05457	16.6
116.06261	6.3
117.07043	37.2
119.08590	100.0
121.06500	9.6
121.10184	12.9
128.06230	19.0
129.06993	28.2
130.07797	6.7
131.04951	36.2
131.08582	51.6
133.06546	27.1
133.10139	33.0
135.08057	14.3
137.09619	6.2
141.07002	17.0
142.07793	19.7
143.08595	39.8
145.06482	20.7
145.10150	26.5
147.08041	64.6
147.11684	5.8
149.09645	15.2
152.06169	7.0
153.06995	11.8
154.07784	8.8
155.08546	23.1
156.09348	19.7
157.10153	37.8
159.08066	52.2
159.11742	24.4
161.09619	39.4
163.07539	6.4
165.06989	15.5
165.09178	18.4
166.07779	20.7
167.08572	17.4
169.10074	29.2
170.10883	10.2
171.08098	11.6
171.11725	64.5
172.08841	7.2
173.06001	11.0
173.09636	20.6
173.13287	11.8
175.07549	6.4
175.11171	6.2
179.08571	22.8
179.10718	7.0
180.09381	5.9
181.10135	56.9
183.08089	13.9
183.11667	29.2
185.09592	30.4
185.13284	31.9
187.07532	7.5
187.11177	21.8
189.07068	6.4
191.08656	6.4
191.10745	8.2
192.09431	12.3
193.10172	17.1
193.12122	5.2
194.10965	7.0
195.11708	23.7
196.08890	5.4
197.09583	30.9
197.13254	14.1
199.11145	31.7
200.12090	5.8
201.12756	11.7
203.08600	17.1
203.10565	5.6
204.09305	9.4
205.10121	18.4
206.10930	11.4
207.11746	23.5
209.09659	10.3
209.13271	13.8
211.07573	5.3
211.11198	22.4
211.13071	6.5
213.06873	6.0
213.08989	6.3
213.12723	29.7
215.08630	10.4
215.10591	5.8
216.09431	12.1
217.10118	17.2
217.12201	6.7
218.10994	15.9
219.08206	8.2
219.11655	18.1
219.13837	6.3
220.12566	8.2
221.09776	6.1
221.13376	26.8
223.11121	12.3
223.14807	7.6
225.12868	13.0
227.10649	6.9
229.10133	17.0
229.12315	23.5
230.10945	12.9
231.11714	29.2
231.13762	8.7
232.12471	13.9
233.13258	23.1
235.11253	9.7
235.14874	9.2
237.12761	13.9
237.16316	12.9
239.08565	6.1
239.14264	9.2
241.10095	26.2
242.10957	14.3
243.11804	15.2
244.12509	15.8
245.13371	31.9
246.14015	10.1
247.11183	8.0
247.14891	12.2
249.12733	7.8
251.14522	5.1
252.09340	7.4
253.10094	9.1
254.10913	10.1
255.11798	31.3
255.13971	7.3
256.12482	23.3
257.13248	29.3
258.13940	7.5
259.15109	11.2
261.12827	8.9
263.14316	8.9
266.11023	10.0
267.11700	14.2
268.12375	7.4
269.13208	32.9
270.13968	15.2
271.14850	67.0
272.12143	12.5
272.15640	12.5
273.12796	11.4
273.16312	11.8
274.13623	7.2
275.14474	6.2
275.18005	7.1
281.13266	30.3
282.13998	13.9
283.14783	15.5
284.15576	7.8
285.12906	6.0
285.16483	27.3
286.13391	7.2
286.17157	11.6
287.14395	16.3
287.18027	14.3
289.15677	9.7
296.15619	19.9
299.14224	12.5
299.17819	24.0
301.16116	10.1
301.19449	23.4
303.17508	20.5
305.19000	8.7
311.17911	55.1
313.15802	12.8
314.16711	10.2
317.18933	10.5
327.17444	9.4
329.18921	80.1
331.16965	11.4
331.20456	10.3
332.17639	11.5
343.16391	6.4
345.18466	9.6
347.16528	4.9
347.20108	92.2
359.19980	22.7
361.18051	14.9
365.21185	38.7
375.19687	17.6
377.21011	12.5
387.19565	22.8
389.21127	13.1
401.24197	5.4
403.19028	7.0
405.20508	29.0
407.22485	34.2
423.21484	7.2
425.23221	7.6
439.21106	7.7
447.21573	11.1
465.22617	22.0
479.27841	7.7
497.28946	10.1
507.27454	60.5
525.24384	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.7
55.01876	19.0
55.05266	2.3
55.05513	32.2
60.00959	2.4
65.03957	3.6
65.05733	2.1
67.05492	9.9
69.03427	9.9
69.07055	8.2
71.04982	2.5
78.08119	1.9
78.49293	2.1
79.05495	22.9
81.03429	16.9
81.07069	13.6
83.04990	45.9
83.08622	2.3
85.49438	2.0
91.05480	49.3
93.07051	23.4
95.04979	28.0
95.08614	10.4
97.06539	3.7
103.05495	5.6
105.03412	3.0
105.07032	41.3
107.04954	11.5
107.08594	18.4
108.71607	1.9
109.06528	19.0
109.10152	4.8
111.08096	2.6
115.05453	18.5
116.06167	3.6
117.07030	36.6
119.04945	1.9
119.08580	47.2
121.06494	11.5
121.10132	7.9
123.08086	4.5
128.06213	13.5
129.07016	23.1
130.07800	5.2
131.04933	5.7
131.08585	31.9
133.06496	9.8
133.10149	25.0
135.08046	17.1
135.11617	2.4
137.09671	4.8
141.06975	9.0
142.07814	16.3
143.08575	27.3
144.05614	3.7
144.09328	2.4
145.06512	27.7
145.10123	28.5
146.07278	3.4
147.08061	100.0
147.11684	5.2
149.09612	9.8
152.06184	2.4
153.07051	6.1
155.08543	15.4
156.09373	19.6
157.06551	5.6
157.10135	38.3
158.07268	7.7
158.10815	3.8
159.08055	59.9
159.11690	18.4
161.06007	5.1
161.09628	55.4
161.13269	2.7
163.07527	29.1
163.11185	5.0
165.07001	4.7
165.09085	3.1
166.07791	3.7
167.08583	6.8
169.10115	16.5
170.10866	9.3
171.08029	14.1
171.11710	61.4
172.12381	3.3
173.06064	12.1
173.09630	51.5
173.13286	8.9
175.07556	9.0
175.11186	8.5
177.09111	4.4
179.08546	9.0
179.10590	6.4
180.09335	4.9
181.10100	11.0
182.10971	3.0
183.08089	4.9
183.10225	3.0
183.11694	22.2
184.08850	3.7
184.12451	3.2
185.09628	20.3
185.13252	25.4
187.07616	10.6
187.11198	15.1
187.14832	6.9
189.09088	9.1
189.12794	4.6
191.10643	7.1
193.10071	10.7
194.10898	3.8
195.11740	13.2
196.08749	2.7
197.09630	13.7
197.13307	12.0
198.10345	3.7
199.11186	26.1
200.11913	3.2
201.09145	3.8
201.12738	8.6
203.08701	3.2
203.10677	6.3
204.09416	2.9
205.10194	5.3
205.12190	3.8
206.10909	6.0
207.11726	13.4
208.12408	3.1
209.09666	11.4
209.13292	7.2
210.10461	3.7
211.11198	14.5
211.14828	3.3
213.09203	2.7
213.12796	20.6
215.08662	4.2
215.10675	7.9
215.14349	13.4
216.09235	2.4
217.10251	4.2
217.12248	9.2
219.08072	3.9
219.11768	4.8
219.13785	3.7
220.12447	4.8
221.09639	4.2
221.13268	10.1
223.11163	13.2
223.14798	5.1
224.11940	2.2
225.12738	8.6
225.16287	2.6
227.10600	5.5
227.14381	3.3
229.10295	3.9
229.12265	10.6
230.10808	2.7
231.11667	5.5
231.13770	21.2
232.12437	3.5
233.09691	4.0
233.11700	7.5
234.10378	3.8
234.13933	3.2
235.11252	5.7
235.14859	4.8
237.12755	7.6
239.10806	2.5
239.14319	4.6
241.12241	8.1
242.10797	3.6
243.11636	7.9
243.13844	7.6
244.12511	3.2
245.09509	3.0
245.11479	4.5
245.13564	3.7
246.10397	2.3
246.14215	3.7
247.11160	6.1
247.15031	3.1
248.12024	2.4
249.12657	5.5
249.16496	4.4
253.15921	2.9
255.14040	2.4
257.13345	4.6
258.10608	2.3
258.14041	3.4
259.11038	3.9
259.13049	12.4
260.11957	3.7
261.12643	10.8
263.14355	5.6
265.15854	5.0
268.12344	3.6
269.13278	4.2
270.10223	2.9
270.14078	3.6
271.11188	5.7
271.14713	3.5
272.11996	2.9
273.12766	7.6
273.16214	3.2
274.13437	3.5
275.14362	10.3
277.15820	4.9
279.13882	4.6
281.15540	3.3
283.11182	4.6
283.14911	7.1
284.12115	2.7
284.15497	4.7
285.12747	8.4
286.13531	4.3
287.11160	3.0
287.14291	8.7
289.12231	3.5
289.15765	4.1
297.12772	8.4
298.13492	4.6
299.14243	8.6
299.17694	2.7
300.15210	3.9
301.15808	8.6
303.13986	2.9
303.17340	5.2
305.15424	2.8
311.14340	5.8
312.15060	4.6
313.12567	3.2
313.15289	10.2
314.16397	3.2
315.13922	3.0
315.17346	7.5
317.15390	4.8
317.18951	8.6
323.13953	2.7
326.16348	2.6
327.13727	3.6
327.17407	11.0
328.14618	2.4
328.18246	6.2
329.15271	11.0
329.18924	7.3
330.16144	2.9
331.16809	5.2
331.20523	3.7
333.18472	2.8
335.20016	3.3
339.19495	2.5
341.19043	14.7
342.15921	2.9
343.17001	3.2
343.20630	9.0
345.18561	14.7
347.16611	10.8
347.20157	5.1
353.18835	2.7
357.18481	9.0
359.20276	11.4
361.21609	8.5
363.19717	4.3
369.18369	7.7
371.20023	19.0
375.19363	14.9
377.20959	10.3
387.19568	24.5
389.21176	38.2
405.20633	37.8
407.22171	43.5
413.23312	2.5
425.23386	19.3
447.21625	5.0
465.22858	19.1
507.27615	43.0
525.24524	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	525.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01875	3.6
55.05520	7.0
58.88378	0.9
65.03934	1.2
66.54867	0.9
67.05508	5.5
69.03429	2.8
69.07063	1.7
74.17499	0.9
79.05495	8.9
81.03411	4.3
81.07060	3.1
83.04989	7.3
91.05485	17.0
93.03400	1.7
93.07047	9.7
95.04981	7.8
95.08623	2.4
97.02889	4.5
97.06547	1.5
103.05450	4.6
104.21141	1.0
105.07034	30.7
107.04961	3.5
107.08582	4.9
109.06534	1.1
109.10179	1.7
113.32174	0.9
115.05443	6.7
116.06237	1.3
117.07009	7.3
119.04977	3.1
119.08593	24.4
121.02889	2.8
121.06503	3.7
121.10147	4.4
123.08041	1.5
125.02582	1.1
128.06244	6.2
129.07010	10.3
130.07825	1.0
131.04939	1.9
131.08580	13.3
133.06502	20.1
133.10164	8.4
135.04430	2.3
135.08058	3.6
137.05991	1.4
137.09586	1.7
141.06973	6.0
142.07776	4.8
143.08560	13.9
145.06477	9.8
145.10107	6.5
147.04485	1.3
147.08043	18.1
147.11620	1.1
149.06007	1.1
149.09633	4.9
153.07027	6.0
154.07785	3.0
155.06071	1.1
155.08559	20.0
156.09369	6.3
157.06500	5.3
157.10127	13.5
158.07224	1.1
159.08055	9.2
159.11684	2.6
161.05986	79.0
161.09595	9.6
163.07535	8.6
165.05502	4.1
165.07031	8.9
166.07820	3.7
167.08583	11.8
168.09373	4.3
169.06512	5.3
169.10123	21.4
171.08095	6.3
171.11693	8.7
173.05994	2.3
173.09589	4.7
173.13309	1.1
175.07564	7.6
175.11244	2.3
178.07793	2.0
179.07098	1.3
179.08479	4.8
179.10785	1.5
180.09363	6.8
181.06474	3.6
181.10100	8.4
182.10925	11.8
183.08052	15.3
183.11670	5.9
184.08861	3.8
184.12445	1.4
185.05975	1.2
185.09618	10.2
185.13283	2.9
187.07607	2.1
187.11227	2.1
191.08597	1.7
192.09319	4.6
193.10133	4.5
194.07339	1.2
194.10934	2.1
195.08058	6.0
195.11717	17.8
196.08890	5.0
197.06126	1.1
197.09682	7.2
197.11412	2.3
197.13266	43.3
198.13686	1.0
199.07585	7.9
199.11203	11.2
199.12926	1.2
199.14856	4.8
201.09149	3.0
201.12744	3.4
205.10181	1.4
207.11710	8.4
208.08916	1.8
209.09712	4.9
209.13310	4.3
210.10435	4.7
211.11153	4.7
212.11879	1.3
213.09201	2.2
213.12775	3.7
215.14343	3.6
217.10182	1.8
219.11761	1.5
220.80357	1.0
221.09723	1.5
221.13361	1.6
223.11234	4.5
225.09113	3.0
225.12752	65.2
226.13426	3.9
227.10782	6.4
227.14305	10.0
230.10945	1.3
231.11769	1.8
233.09912	1.1
233.13194	1.7
235.11176	1.7
237.12691	2.0
239.10677	3.6
241.12321	1.7
243.11751	1.4
243.13780	6.8
245.09439	1.4
247.11223	1.8
247.15031	1.6
249.12918	1.7
251.14221	1.4
257.15509	1.4
259.11209	2.3
260.11960	1.4
261.12753	1.5
271.11212	1.5
271.14801	1.5
273.12820	2.1
275.14319	2.0
283.14978	1.1
285.12302	1.3
285.14923	12.2
287.10858	1.1
287.14185	1.5
297.12738	1.5
299.14465	1.9
301.12201	1.4
301.15765	1.1
303.13843	2.5
308.15506	1.3
313.15756	1.3
315.13837	1.5
327.13849	2.0
329.15356	2.4
336.14871	1.3
341.15393	1.2
341.19150	2.3
343.16949	2.0
343.20859	1.2
345.17734	3.2
354.16092	1.2
357.18451	6.6
359.16254	1.3
359.20193	5.2
369.18527	8.2
371.19977	5.6
375.19440	2.0
387.19550	44.4
389.21237	4.6
405.20667	9.9
407.22214	2.8
447.21759	7.8
465.22845	6.4
507.27811	2.6
525.24841	100.0
526.25446	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.9
53.03942	2.6
55.01873	21.0
55.05508	5.8
57.03445	0.9
63.02373	0.9
65.03939	2.3
67.05511	6.5
69.03432	5.5
69.07076	5.2
71.04993	1.4
71.55725	1.3
77.03927	1.7
79.05058	1.3
79.05496	18.7
81.03417	14.1
81.07072	7.9
82.20807	0.7
83.04987	6.0
83.08624	0.8
84.19629	0.7
85.06541	1.1
91.05479	46.9
91.46536	0.7
93.03401	0.7
93.07055	15.1
95.01350	0.6
95.04970	14.5
95.08617	6.7
97.06528	2.5
99.04453	1.5
103.05483	4.7
103.06031	0.7
105.04534	1.9
105.07037	28.4
107.04958	16.0
107.05695	0.8
107.08604	11.1
109.06522	7.9
109.10149	2.0
111.08112	0.7
113.13445	0.6
115.05453	26.2
115.77410	0.7
115.96046	0.7
116.06245	7.2
117.07024	41.7
119.04967	2.2
119.08585	44.0
121.06514	8.8
121.10139	6.6
123.08063	3.1
128.06226	13.6
129.07005	30.2
130.07822	5.6
131.04941	4.2
131.08571	38.8
132.05699	2.9
133.06499	5.2
133.10132	24.8
135.08063	9.7
137.09613	1.7
141.06978	9.6
142.07779	16.2
143.08565	28.8
144.05632	4.6
144.09348	2.2
145.06491	39.6
145.10127	27.1
146.07239	2.3
147.08051	91.9
147.11694	2.9
148.08330	1.0
149.06065	0.7
149.08424	1.2
149.09619	25.5
152.06174	1.6
153.06973	4.6
154.07784	4.1
155.06076	2.3
155.08549	12.8
156.09357	28.3
157.06512	5.5
157.10129	52.1
158.07271	4.5
158.10909	2.0
159.08058	90.3
159.11679	12.7
161.05991	2.8
161.09622	53.9
161.13264	1.6
163.07539	9.0
163.11197	1.6
165.06999	5.3
165.09109	1.8
166.07790	2.6
167.08566	7.9
168.09349	4.3
169.06464	2.3
169.07808	1.1
169.10132	17.7
170.07243	1.3
170.10918	13.4
171.08057	12.6
171.11693	89.3
172.08830	2.1
172.12436	2.1
173.05995	17.5
173.07336	1.3
173.09628	27.7
173.13235	11.6
175.07536	10.7
175.11208	6.0
177.09090	4.1
178.07832	1.9
179.08571	6.0
179.10684	2.6
180.09335	4.8
181.06555	2.1
181.10112	9.4
182.07301	1.3
182.10912	4.9
183.08055	6.3
183.11700	24.3
184.08809	4.0
184.12479	2.0
185.06076	1.3
185.09636	19.9
185.13255	42.2
186.10394	1.2
187.07541	11.8
187.09309	0.7
187.09619	1.1
187.11171	11.5
187.14778	5.4
189.09097	5.8
189.12753	3.3
190.07845	1.1
191.08699	1.4
191.10681	4.8
192.09341	3.2
193.10149	10.7
194.10938	1.8
195.08064	3.7
195.11705	14.3
196.08899	1.7
196.12418	2.2
197.09621	13.3
197.13266	11.0
198.10455	4.1
199.07582	2.4
199.11186	28.8
200.11992	4.8
201.09106	6.5
201.12755	6.6
202.07851	1.1
203.06993	2.1
203.08617	2.2
203.10516	3.7
203.14398	1.1
204.09358	1.5
205.10136	4.2
205.12131	1.6
206.10870	4.3
207.08066	1.1
207.09929	1.4
207.11711	11.4
208.08875	1.3
208.12500	1.9
209.09680	5.9
209.13269	8.3
210.10359	1.2
211.07668	1.0
211.11153	8.0
211.14857	1.9
213.09369	5.3
213.12740	31.1
215.08571	2.2
215.10721	7.1
215.14299	11.1
216.09355	2.2
217.08374	4.8
217.10207	3.6
217.12099	11.4
218.10925	3.9
219.08054	1.8
219.09946	1.4
219.11748	5.2
219.13770	1.4
220.08905	1.2
220.12354	3.5
221.09769	3.5
221.13268	8.0
222.10423	3.1
222.14043	2.1
223.11185	8.2
223.14725	3.9
224.11868	1.7
225.09132	3.9
225.12704	5.6
227.08670	1.4
227.10622	5.2
227.14278	1.5
228.09274	1.2
229.10143	3.6
229.12292	12.5
230.10944	4.7
231.11739	4.4
231.13786	36.3
232.08887	1.3
232.12363	3.4
233.09810	4.5
233.13475	5.8
233.15453	1.3
234.10385	2.4
234.14113	2.6
235.11279	4.1
235.14812	5.2
236.11977	1.4
237.09198	1.1
237.12790	5.6
237.16473	1.8
239.08594	1.3
239.10698	3.1
239.14357	3.6
241.10078	1.9
241.12280	10.7
242.10904	2.6
243.11794	6.8
243.13908	2.2
244.12474	4.6
245.09525	3.0
245.11783	9.6
245.13583	4.0
246.10434	3.1
246.14066	3.3
247.11230	5.4
247.14995	5.6
248.12001	3.2
249.09103	1.2
249.12743	5.7
249.16479	3.1
250.13454	1.0
251.10645	2.5
251.14302	3.9
253.10269	1.1
253.12430	1.7
253.15981	2.3
254.10991	2.6
255.11705	3.1
255.14015	1.6
256.12479	3.6
257.09686	1.8
257.13422	7.6
258.10425	2.0
258.14120	4.5
259.11072	3.5
259.13181	28.4
260.12006	3.8
260.15475	1.8
261.08926	0.8
261.12756	10.0
261.16550	1.4
262.13547	1.7
263.10641	1.1
263.14355	3.6
263.17975	1.4
264.11578	1.4
265.12292	2.5
265.15909	2.0
267.11569	1.3
267.13965	1.8
268.12433	3.8
269.09598	1.7
269.13248	6.6
269.15314	1.2
270.10443	2.9
270.13962	4.2
271.11115	6.5
271.14999	5.2
272.11942	4.0
272.15546	2.3
273.12762	8.2
273.15952	4.9
274.10074	1.0
274.13541	2.6
274.17212	1.2
275.10739	2.4
275.14349	7.6
275.17725	1.3
276.11502	1.2
276.15137	1.9
277.12262	2.3
277.15894	2.6
279.13803	2.2
280.12378	1.1
281.13040	1.4
281.15741	1.0
282.10428	2.8
282.14008	2.0
283.11237	4.6
283.14374	4.1
284.12033	4.7
284.15659	3.7
285.12799	8.4
285.16348	3.0
286.13553	7.7
286.16742	1.2
287.14340	8.9
287.17670	1.9
288.11688	0.9
288.15118	2.5
289.12759	5.1
289.15891	5.2
289.18939	0.8
290.13174	0.9
291.13788	2.1
291.17380	2.5
293.15613	1.4
294.14056	1.6
295.14307	1.0
296.12088	2.9
297.12787	9.6
297.16177	2.0
298.13577	5.6
298.17236	2.2
299.10751	2.5
299.14349	9.5
299.17923	2.4
300.11682	1.2
300.15161	4.7
300.18530	1.0
301.12366	1.5
301.15909	13.6
301.19287	1.3
302.13217	1.3
302.16702	2.4
303.13828	5.0
303.17508	3.7
304.18213	1.2
305.15359	1.4
307.20605	2.8
309.15405	1.0
309.18658	1.1
310.13617	0.9
311.14288	8.7
311.17661	1.6
312.15097	6.5
313.12305	2.4
313.15930	9.6
313.19421	1.7
314.13043	4.1
314.16718	3.6
315.14001	1.2
315.17429	10.6
316.18289	2.4
317.15347	2.9
317.19086	10.1
318.19778	1.1
319.15906	2.5
323.17993	0.9
324.14984	1.3
325.12201	2.7
325.15918	1.8
326.13342	1.1
326.16669	5.2
327.13794	5.3
327.17548	9.7
328.14578	3.5
328.18292	4.4
329.15369	12.7
329.19107	9.3
330.16003	1.5
331.13477	0.9
331.16946	2.4
331.20645	3.8
333.14584	1.0
337.17987	2.0
339.13742	2.3
339.17514	2.1
340.14578	3.4
341.15198	1.6
341.19003	15.1
342.16190	3.5
343.16919	2.3
343.20633	7.1
344.17712	1.5
345.14856	1.4
345.18518	9.9
346.19266	1.4
347.16422	14.3
347.20169	1.2
351.17255	1.0
354.15866	3.3
357.14972	1.0
357.18539	17.2
359.20071	17.5
361.17929	2.7
361.21799	4.2
363.19620	2.9
369.18488	16.1
372.17349	2.7
375.19556	31.7
377.21143	21.4
379.17926	1.0
387.19537	54.3
389.21051	2.7
393.20624	1.6
397.20160	2.5
405.20612	69.3
406.21252	1.0
407.22049	3.5
417.19183	1.0
419.22217	1.2
423.21704	6.5
425.23148	1.4
435.22000	2.9
437.23230	2.2
447.21698	6.9
465.22736	29.0
466.22226	0.8
483.23880	2.9
507.23837	2.6
507.28467	1.3
525.24841	100.0
526.25537	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2314
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
55.01859	0.5
55.05499	2.1
57.03432	0.5
63.22379	0.5
67.05515	2.6
69.03420	2.2
69.07069	2.8
71.04998	1.3
71.55254	0.7
75.88049	0.5
75.98839	0.6
79.05499	3.1
81.03410	1.2
81.07059	7.5
83.04964	1.4
83.08621	2.2
85.02909	1.7
85.06539	1.3
90.89059	0.5
91.05481	2.1
93.07055	4.8
95.04974	1.5
95.08609	6.7
97.02855	0.8
97.06548	0.8
97.10155	1.4
99.08096	1.2
105.03403	0.9
105.07045	2.7
107.08595	2.8
109.02845	1.0
109.06499	1.1
109.10165	4.5
111.04500	0.7
111.08076	0.7
119.08627	2.6
121.06554	0.7
121.10130	2.7
123.08057	0.6
123.11704	2.3
125.09619	0.5
127.00040	0.7
127.03903	0.9
128.90283	0.5
129.07085	0.8
131.08582	1.6
133.06497	1.2
133.10172	1.9
135.11687	1.9
137.05984	1.1
137.13237	0.6
139.11194	0.9
143.08612	0.8
145.10155	1.3
147.11720	0.9
149.09689	0.6
149.13281	2.5
151.07520	0.6
151.11192	0.6
151.14828	0.5
155.08513	0.9
157.10147	0.8
159.08049	0.9
159.11662	0.7
161.05978	1.2
161.13278	0.7
163.14760	0.7
167.03252	0.7
169.04720	2.5
169.10153	0.7
171.08002	0.6
171.11739	0.9
173.13261	0.7
177.09085	0.8
177.16479	0.7
179.07083	0.6
181.10213	0.5
185.09679	0.5
189.08841	0.5
197.09540	0.5
199.11275	0.7
201.09084	0.7
201.16478	0.7
206.02832	0.5
207.76874	0.7
215.10744	0.8
221.13362	0.9
223.20735	0.7
245.06180	3.3
245.08549	0.7
245.11682	0.6
259.16812	3.7
261.25873	0.9
273.25858	1.3
277.17740	6.1
279.26901	1.3
289.05368	3.6
291.26761	3.2
297.28021	0.9
309.27960	1.7
369.18976	1.5
377.20978	1.1
411.19867	3.8
421.21979	1.9
439.18576	0.5
439.23294	6.5
463.23184	2.7
465.34412	0.5
481.24155	23.4
507.21762	3.2
525.23114	100.0
526.23358	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.05515	3.1
55.71479	0.4
64.68955	0.4
65.58597	0.4
67.05511	2.8
69.03402	1.2
69.07072	2.7
71.04995	0.7
71.06802	0.4
71.56050	0.5
79.05487	2.8
81.03401	1.4
81.06589	0.5
81.07058	8.3
83.04987	2.1
83.08604	1.5
85.02898	1.2
85.06539	1.1
91.05483	4.8
93.07054	4.7
95.04970	2.1
95.08616	5.8
97.02881	1.0
97.06551	0.7
97.10139	0.7
99.08094	1.3
103.05471	0.9
105.07040	5.5
107.08610	4.3
109.06499	1.6
109.10174	4.7
111.11697	0.5
111.47975	0.4
114.55541	0.4
115.05476	0.8
117.07014	2.0
119.08584	4.9
121.06506	1.0
121.10146	2.5
123.08060	0.8
123.11694	1.9
125.05996	0.7
127.03901	0.7
128.06221	1.7
129.07004	1.6
131.04953	0.7
131.08563	2.6
133.10133	3.8
135.08043	1.5
135.11679	1.3
137.05986	1.2
137.09619	0.7
137.13248	0.7
138.09831	0.4
138.63957	0.4
141.06992	0.8
142.07732	1.5
143.08566	2.1
145.06485	1.0
145.10141	2.1
147.08054	1.8
147.11673	0.6
149.05952	0.5
149.09628	1.3
149.13245	2.3
151.07588	0.4
151.11183	0.4
153.05449	0.6
155.08553	0.8
156.09319	1.2
157.10126	3.0
159.08025	1.6
159.11682	1.6
161.09625	2.3
163.07545	0.9
163.11169	0.8
163.14832	1.2
165.06963	1.1
165.09077	0.5
165.16385	0.5
166.07715	0.7
167.06918	0.4
167.08560	0.8
169.10161	1.9
171.08246	0.8
171.11707	2.4
173.08078	0.5
173.09654	1.5
173.13264	0.7
175.11095	0.9
177.09120	1.4
177.16354	0.7
179.08501	0.7
180.09302	0.5
181.10135	1.3
181.15910	0.6
183.08122	0.7
183.11699	1.6
185.09595	0.8
185.13382	1.1
187.07623	1.2
187.11194	0.9
187.14796	0.6
191.08667	0.6
191.10666	0.6
191.17987	0.5
192.09378	0.6
193.10129	1.4
194.10851	0.8
195.08112	0.4
195.11736	1.6
197.09578	1.0
197.13246	1.0
199.11183	2.9
201.03712	0.5
201.09229	0.9
201.12677	0.7
203.05309	0.6
203.08551	0.6
205.10185	0.9
206.10954	1.0
207.11681	1.8
207.13467	0.5
209.09714	0.7
209.13347	0.8
211.11151	1.2
213.09294	0.5
213.12758	1.3
216.09314	0.5
217.10222	0.9
218.10902	0.7
219.11760	0.9
220.12483	0.8
221.09669	0.6
221.13261	1.4
223.11206	1.1
223.14925	1.0
225.09242	0.9
225.12889	1.2
227.10696	1.3
228.09302	0.7
229.10068	1.1
229.12236	1.2
230.10968	0.8
231.11749	1.2
231.13881	0.6
232.12558	0.5
233.09714	0.5
233.13261	1.3
235.11252	0.6
235.14906	0.7
237.12794	1.4
237.16341	0.6
239.10709	1.0
241.12311	1.0
243.04791	1.3
243.11650	1.0
243.13925	0.6
244.12463	0.8
245.06374	1.6
245.13315	1.0
247.11165	0.6
247.14879	0.9
249.12743	1.1
249.16502	0.6
251.14413	0.9
253.08525	0.8
253.12486	0.5
255.11737	0.6
256.12759	0.9
257.13498	0.9
259.16833	3.9
259.19324	0.5
259.20496	0.6
261.18283	6.9
263.14362	0.6
267.11670	0.6
269.13263	1.3
271.14786	0.5
273.25699	0.8
275.14194	0.6
277.17819	14.0
281.13239	0.9
282.13934	0.6
283.14838	1.4
285.16418	0.5
287.03751	7.8
289.05319	8.1
291.13654	0.4
291.26819	2.9
298.17178	0.5
299.14233	0.7
301.15952	0.8
309.27936	1.5
314.13467	0.4
327.13742	0.6
328.14691	0.5
329.15326	1.8
331.17020	1.1
339.13824	0.6
341.19064	0.8
343.17035	0.7
344.17996	0.7
345.14771	0.8
345.18619	1.3
347.16293	0.7
347.20154	0.6
351.17056	0.5
357.14691	0.7
357.18588	2.3
359.20093	4.1
361.17807	1.9
363.19690	0.6
369.18445	4.1
371.20032	0.8
372.17148	0.6
375.19461	1.3
377.21118	1.8
387.19550	10.6
389.21158	2.8
405.20691	4.1
407.21909	2.0
425.23099	0.8
439.23047	2.6
447.21982	2.0
465.22824	1.1
481.24109	13.4
525.23096	100.0
526.23450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23748	1.6
53.03939	2.2
55.05512	12.4
57.03436	13.9
57.07063	4.3
59.04994	3.5
65.03931	2.0
65.52994	1.5
67.05505	97.0
69.07069	7.9
69.40618	9.9
71.04997	2.4
71.08620	2.6
75.31034	1.5
79.05072	1.5
79.05493	18.2
81.03425	3.8
81.07059	37.8
83.08617	9.5
85.06550	3.1
91.05485	14.9
93.07040	27.4
95.04949	3.0
95.08606	26.3
97.10172	2.2
103.15682	1.5
105.07028	7.7
107.08599	13.9
109.10156	75.8
111.08057	4.4
117.06999	1.8
117.50437	1.6
119.08579	9.4
121.10151	10.4
123.11691	2.4
131.08595	6.8
133.10110	4.1
134.43407	1.6
135.11661	7.7
137.09612	4.8
145.10124	3.8
147.11696	3.9
149.13232	4.2
155.10649	10.2
159.11676	2.2
161.13326	1.9
163.14836	2.7
173.11731	17.2
173.13193	2.9
177.78258	1.6
187.14864	2.1
193.12276	3.7
211.27527	1.3
213.40295	1.2
225.04529	1.3
227.12759	3.4
229.14354	100.0
243.21065	6.0
261.22150	14.8
267.15894	4.5
268.16132	2.7
313.27344	2.5
314.27765	3.5
317.24478	2.0
335.25803	97.0
397.31290	1.6
489.35727	59.1
506.39059	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	525.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	5.4
71.04989	1.3
71.50273	0.7
71.95253	1.6
79.56598	0.5
80.52747	0.6
85.02906	1.2
91.81987	0.5
98.97588	96.6
110.05762	0.5
111.55170	0.5
116.98625	47.4
119.81310	0.5
134.99663	11.2
139.87346	0.5
140.00197	1.1
140.81517	0.5
143.12390	0.5
153.00627	0.6
174.97650	0.6
198.97705	0.7
216.98825	1.5
219.02049	1.0
232.96539	1.5
234.99805	2.9
236.00021	0.5
240.98711	10.9
243.01833	0.8
249.30536	0.5
250.97681	0.8
256.96704	3.2
257.96927	1.7
258.99789	100.0
260.00067	1.7
261.00278	1.0
261.03146	2.7
274.97635	8.6
275.97858	2.6
277.00839	82.7
278.01135	1.0
282.01468	1.9
282.99994	11.8
284.00336	1.2
284.99762	0.9
292.98657	2.0
298.97751	6.4
299.97864	4.0
300.02478	2.1
300.97681	0.9
301.00992	9.1
302.01065	1.3
303.01138	0.6
313.93698	0.6
316.98822	7.1
317.98901	4.7
318.98679	0.7
340.99286	0.8
359.00226	5.3
364.99088	1.2
382.99911	29.8
383.45331	0.6
383.99899	0.9
399.97855	0.5
401.00998	79.8
402.01160	2.0
403.01694	0.7
416.98975	0.9
417.98804	0.7
419.02200	9.8
424.02695	3.9
425.01318	1.6
426.01270	0.6
440.99030	3.4
441.99036	4.6
443.02356	1.8
444.02359	0.6
459.00031	1.6
460.00031	4.7
483.00336	1.2
484.00003	1.1
500.98178	0.8
507.00043	4.1
525.01227	43.7
526.01300	1.1
540.99194	0.7
542.98926	2.4
548.02631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24404	0.6
53.03943	0.7
57.56405	0.6
57.99033	0.6
71.55244	0.7
76.03894	0.6
78.04724	2.9
79.05496	4.4
81.03398	0.9
81.07037	1.0
91.05482	2.9
93.07056	2.0
95.04958	1.4
103.05476	4.8
104.25103	0.7
105.07034	4.8
106.04177	1.9
107.04959	8.0
109.06490	0.9
115.05464	1.9
117.07024	2.9
119.04983	0.8
119.08607	0.8
121.06505	4.3
123.04443	6.5
123.08051	1.0
124.05205	2.2
128.06161	0.6
129.07005	1.6
131.04938	8.0
131.08563	1.6
133.06514	5.0
135.08023	1.1
137.05975	4.8
141.07022	0.9
143.04889	1.0
143.08620	0.8
144.05708	1.5
145.06491	5.2
145.10188	0.9
147.04408	0.7
147.07932	0.6
148.05128	0.6
149.05971	1.7
151.03909	1.6
151.07559	10.6
152.04691	2.0
157.06454	1.2
158.07291	2.9
159.08037	1.8
161.05984	5.3
163.06277	1.2
163.07562	14.4
167.07053	100.0
171.08138	0.9
172.05148	1.0
172.08838	0.8
173.06018	5.3
173.09598	3.7
175.07571	2.3
177.09140	1.3
179.07030	2.2
181.08618	12.2
181.10156	1.4
187.07562	8.9
189.09088	0.7
193.06853	0.9
193.08626	16.3
193.10309	1.2
201.09126	5.4
203.06984	0.8
203.08643	1.7
205.08621	4.2
210.45673	0.6
217.08606	3.8
219.10168	7.4
231.08072	2.2
233.09547	1.5
233.11731	14.2
235.07463	0.7
235.11235	1.2
243.46461	0.6
253.74242	0.6
259.07587	0.7
262.10043	0.7
263.10757	2.0
277.63376	0.6
280.11057	0.8
291.10184	2.9
295.13370	2.3
305.11975	0.7
308.10336	0.7
323.12827	8.2
327.15692	0.7
337.14258	0.8
355.15421	29.9
387.18051	22.4
405.18845	2.4
410.87994	0.6
411.89813	0.8
441.61066	0.7
447.20142	1.8
524.25317	1.3
548.61530	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.05515	13.1
57.03440	20.3
57.07080	36.4
67.05179	1.9
67.05515	25.2
69.07065	10.2
71.04990	2.3
71.08286	2.4
71.08638	27.2
79.05482	11.3
81.03426	86.5
81.07072	25.3
83.04962	2.2
83.08625	25.4
85.06494	1.8
85.10197	12.4
86.09692	4.9
89.06003	1.8
89.91180	1.5
90.39383	1.6
91.05495	17.1
93.07039	10.2
94.09110	1.5
95.04977	24.7
95.08612	24.1
97.06525	2.5
97.10173	9.0
98.21468	3.4
100.11181	1.8
104.10754	5.8
105.07043	12.1
107.04921	5.7
107.08594	3.9
109.06499	2.4
109.10175	14.8
111.08065	4.7
115.05443	2.1
119.08585	14.9
119.42085	1.7
121.10140	7.5
123.04480	1.9
123.11694	4.5
125.00040	2.3
129.07025	11.5
131.08566	6.0
133.10129	4.8
137.09686	1.8
137.13243	1.6
142.07776	2.4
145.10091	1.8
147.08055	2.3
147.11708	8.2
149.09625	5.0
157.10123	10.4
175.11188	10.1
184.07317	5.1
193.12265	39.0
203.80858	1.7
211.13335	3.6
212.99016	1.6
229.14377	2.2
239.23686	5.4
249.14865	3.2
257.24951	2.6
267.15936	100.0
277.21542	2.1
313.27393	94.6
505.39047	62.4
523.39923	7.3
524.37244	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
53.90262	1.7
55.01882	2.8
55.05521	12.2
57.03444	17.8
57.06827	3.2
57.07082	41.8
58.27101	2.4
59.05001	2.3
67.05516	36.4
69.07071	8.5
70.79488	3.6
71.05005	2.7
71.08643	25.5
77.61422	1.9
79.05511	15.0
81.03428	87.5
81.07064	29.9
83.04978	5.8
83.08630	27.2
85.10184	16.9
89.06067	2.2
91.05484	16.9
93.07050	11.7
95.04992	25.8
95.08611	27.7
97.02871	2.8
97.10204	6.9
98.20837	2.5
99.11716	2.6
105.07058	14.6
105.63525	2.2
107.05001	4.7
107.08602	7.6
109.06565	2.7
109.10181	17.9
111.08114	4.4
119.08602	13.1
120.50607	1.9
121.10174	8.1
123.11744	3.5
129.07011	7.0
131.08569	9.0
133.10150	4.4
135.11674	2.2
146.38974	1.8
147.11736	7.2
149.09641	4.0
157.10126	6.4
157.22192	1.9
169.41454	2.0
175.11223	7.5
179.14297	7.5
182.07080	2.1
184.07376	3.4
193.12262	39.6
211.13339	3.9
229.14381	10.7
239.23810	6.4
249.14929	4.8
257.24692	1.9
267.15952	100.0
277.21628	5.3
313.27402	90.6
505.39227	65.6
523.39716	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	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01867	1.5
55.05516	9.6
57.03442	6.1
57.07080	33.4
60.76623	0.5
65.03954	1.0
67.05508	21.5
69.03423	1.8
69.07071	8.0
69.25622	4.7
70.22772	0.6
71.04990	2.5
71.08636	21.0
74.09706	0.9
79.05495	12.6
81.03423	29.2
81.07063	24.9
83.04980	5.0
83.08627	17.7
85.02910	14.2
85.06551	0.9
85.09806	0.3
85.10185	12.1
91.05481	15.6
91.06013	1.0
93.07050	9.0
95.04977	12.3
95.08611	22.2
97.02881	1.5
97.06533	1.7
97.10175	5.7
99.08114	1.1
99.11737	0.6
103.07623	0.6
105.07038	10.9
107.04964	2.0
107.08606	3.6
107.27567	0.5
108.90546	0.5
109.06528	2.0
109.10163	7.6
111.04482	1.3
111.08082	5.0
111.11720	0.8
113.06024	1.3
113.13319	0.6
115.05478	0.7
117.07025	1.1
118.79355	0.5
119.08575	10.3
121.06511	0.8
121.10138	5.9
123.08121	0.8
123.11683	3.2
125.09602	0.9
125.13276	0.9
129.07010	3.9
131.08571	4.6
133.06531	1.5
133.10124	4.8
137.09624	1.0
137.13303	2.1
142.07802	1.5
145.10185	1.1
147.08105	1.5
147.11696	7.9
149.09636	3.7
151.14799	0.6
157.10147	5.6
165.12863	1.5
171.11780	0.8
175.11182	8.0
193.12248	28.5
207.47150	0.5
211.13297	32.2
239.23669	4.5
246.62569	0.5
249.14870	1.3
257.24747	0.5
267.15936	15.4
285.17230	0.6
313.27383	15.8
505.39017	7.0
523.39990	100.0
524.40424	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08512	1.3
53.03940	2.0
55.05511	13.4
56.26199	1.3
57.03440	7.8
57.07079	30.3
64.46049	1.4
65.15259	1.7
67.05511	25.2
67.10474	1.5
69.03411	1.7
69.07076	8.9
71.05002	4.5
71.08636	23.9
71.56419	2.1
71.56827	2.2
77.23249	1.6
79.05509	14.8
81.03424	29.3
81.07067	27.8
83.04983	6.6
83.08630	20.2
85.02911	15.0
85.10193	12.2
91.05486	16.9
93.07049	9.0
95.04977	12.7
95.08614	23.9
97.02902	2.0
97.10199	4.9
105.07032	10.8
107.04966	1.9
107.08608	5.1
109.06558	2.7
109.10168	12.2
111.04445	2.1
111.08070	5.2
119.08573	10.8
121.10163	6.7
123.11716	4.5
129.07018	5.2
131.05858	1.5
131.08568	7.9
133.10135	8.3
137.13191	2.1
142.07794	1.9
147.08078	1.6
147.11740	9.3
149.09668	4.3
157.10184	5.7
165.12758	1.7
169.42728	1.4
175.11183	9.6
193.12256	27.1
201.45685	1.5
211.13293	32.7
233.95688	1.5
239.23834	5.2
267.15952	16.4
313.27426	13.1
384.28366	1.9
395.91516	1.5
423.46124	1.7
505.38937	7.3
523.39996	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.7
55.01869	2.6
55.05503	12.3
57.00708	2.0
57.03445	21.6
57.07084	43.6
62.37887	1.8
63.42999	1.9
65.03954	2.0
67.05515	22.6
69.03441	2.4
69.07079	9.8
71.04984	4.6
71.08643	27.7
71.55402	1.9
71.55769	2.6
77.30302	2.0
79.05496	13.9
81.03424	88.4
81.07064	27.8
83.04980	6.1
83.08629	22.4
85.10193	16.4
89.06062	3.0
91.05486	19.6
93.07024	7.7
95.04980	24.9
95.08609	24.3
97.10170	6.0
105.07048	12.5
107.04971	6.1
107.08600	2.6
109.06528	3.3
109.10171	12.4
111.08102	6.0
119.08602	11.4
121.10148	5.1
123.11730	5.1
129.07040	10.1
131.08575	7.9
133.06503	2.9
133.10130	2.4
147.08105	3.9
147.11684	6.6
148.97488	2.1
149.09673	3.0
151.96034	2.2
157.10138	9.8
175.11226	11.1
186.48914	2.0
193.12248	34.3
193.13884	3.4
211.13339	3.4
239.23738	5.9
249.14935	3.3
267.15927	100.0
313.27386	89.3
313.31168	2.4
332.77643	2.2
336.64453	1.9
339.58722	2.0
505.38940	67.4
523.40222	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.0
55.05511	8.2
57.03438	13.4
57.07077	39.0
63.87749	2.8
65.70236	3.0
67.05500	24.8
68.37414	3.0
69.07070	11.3
71.08630	26.8
73.04672	2.7
79.05499	15.6
81.02981	5.5
81.03426	75.0
81.07053	28.8
83.04994	6.9
83.08612	21.6
83.47091	3.1
85.10183	15.1
91.05479	13.6
93.07057	10.0
95.04967	21.5
95.08605	20.3
97.10165	6.8
103.45889	3.2
105.07032	14.5
107.04973	3.7
107.08589	3.6
109.06502	3.7
109.10158	10.3
111.08102	6.4
119.08578	6.9
120.20226	3.2
121.10193	3.6
129.06993	8.5
131.08513	5.2
133.06479	4.0
133.10139	6.5
147.11713	4.9
149.09650	5.1
155.59354	3.3
157.10139	11.3
171.65373	4.1
175.11186	10.4
193.12253	39.1
211.13300	7.2
228.99208	3.0
233.07555	3.6
239.23747	5.4
240.52180	3.4
249.14870	5.1
267.15915	100.0
295.10315	3.2
313.27371	94.2
336.21628	3.0
342.03531	3.5
505.38879	52.7
519.93536	4.6
523.39984	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19345	3.4
53.03955	6.1
54.32169	3.9
55.05522	18.8
57.03428	22.3
57.07082	52.7
67.05502	39.3
69.07061	16.3
69.85660	16.3
71.08640	42.7
79.05493	18.3
81.03420	100.0
81.07059	38.8
83.04959	4.3
83.08627	31.2
85.02894	14.5
85.10186	25.0
90.83395	3.8
91.05495	22.7
93.07027	18.3
95.04962	35.6
95.08604	33.6
97.10156	8.8
98.21487	7.4
105.07016	14.2
107.04962	8.4
107.08621	6.5
109.10154	15.8
111.08071	8.5
119.08591	13.5
121.10142	9.9
123.11688	5.6
129.06982	9.5
131.08537	12.7
133.10101	4.0
147.07942	4.0
147.11688	10.6
149.09656	5.3
151.74588	3.9
157.10097	13.6
175.11191	13.0
193.12268	43.4
211.13330	26.6
239.23656	7.1
267.15936	91.3
313.27347	70.4
395.85361	4.6
505.38995	50.5
523.39929	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	23.7
57.07082	11.5
63.98344	5.3
64.45784	5.5
67.05502	39.4
69.03432	10.3
69.07071	50.0
71.55123	7.9
79.05495	25.9
81.03397	8.3
81.07061	100.0
83.04988	20.1
83.08622	24.2
84.08123	8.3
85.02908	21.6
85.06519	6.4
87.00844	6.9
91.05484	24.3
93.07048	53.7
95.04968	52.1
95.08618	82.3
97.02913	8.3
97.06501	13.4
97.10194	13.1
97.79486	5.8
104.36662	5.7
105.07019	36.9
107.08611	45.5
109.02905	7.5
109.06524	11.8
109.10164	74.2
111.08105	11.0
111.11731	14.8
113.06058	9.6
119.08587	40.4
121.10148	32.5
123.08041	13.1
123.11718	40.2
125.09675	7.7
127.03928	11.9
131.08614	9.7
133.06424	7.7
133.10161	27.9
135.11732	26.5
137.05930	10.8
137.09642	11.3
137.13266	14.8
145.04897	6.4
145.10097	13.3
147.11700	21.8
149.13257	25.6
151.14844	6.3
159.08015	6.8
159.11678	12.0
161.13289	18.1
163.14847	7.2
165.09132	47.5
165.12830	6.9
165.17650	5.9
170.86467	5.1
173.13324	7.7
175.14909	13.4
189.16382	13.5
205.19427	8.0
213.12692	11.5
215.17964	6.7
216.65298	5.9
221.19092	8.8
245.22566	6.1
271.24164	23.8
273.14880	7.8
289.25427	30.6
307.26321	89.8
325.27600	8.1
361.21082	10.6
473.81500	6.1
491.97281	6.7
523.21625	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	523.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.7
55.01856	7.3
55.05522	19.4
57.03455	4.9
57.07077	4.9
65.03922	4.3
67.05505	39.3
69.03442	22.6
69.06732	3.0
69.07079	39.0
70.06590	7.4
70.57890	7.2
71.04991	10.2
72.08153	4.3
79.05499	38.8
81.03440	14.8
81.06583	5.7
81.07062	100.0
83.04984	12.7
83.08624	12.2
84.04460	2.6
85.02909	20.9
85.06539	8.0
86.09689	4.8
87.00823	3.3
90.26762	3.2
91.05489	28.2
93.07051	47.2
95.04988	23.5
95.08615	96.1
97.02885	7.9
97.06541	9.4
97.10146	9.7
99.04461	5.7
99.08076	4.4
103.05462	3.3
105.07039	38.7
107.04962	55.4
107.08609	39.6
109.02895	8.6
109.06519	7.9
109.09469	4.4
109.10172	54.0
111.04443	4.8
111.08112	7.2
111.11716	3.6
116.01685	2.9
116.78275	2.7
117.07019	10.7
119.08574	32.6
121.06511	7.1
121.10157	35.7
123.04422	5.7
123.08044	6.2
123.11718	22.8
125.06004	4.6
125.09662	4.3
127.03946	16.5
128.06268	5.4
129.07002	9.3
131.04913	7.9
131.08569	13.9
133.06479	3.3
133.10138	22.3
135.08008	7.0
135.11726	19.6
137.05966	13.6
137.09639	10.5
137.13255	10.9
139.11172	7.4
141.07039	3.2
142.07823	3.4
143.08633	6.9
145.05055	3.9
145.06497	3.5
145.10127	21.3
147.08047	4.9
147.11737	16.4
147.81961	2.9
149.06036	5.7
149.09613	3.9
149.13290	17.9
151.03947	6.5
151.07500	3.7
151.11224	3.6
151.14857	3.8
155.08482	6.3
157.10146	11.6
159.08119	3.1
159.11732	14.2
161.05983	8.9
161.13309	15.2
163.07501	5.6
163.11179	3.3
163.14835	13.5
165.09111	50.9
165.16493	3.7
167.06950	3.4
169.04958	9.9
169.06386	3.9
169.10130	7.1
171.11739	9.8
173.13272	8.7
175.07550	6.3
175.14832	11.1
176.15141	3.8
177.16434	8.1
179.14197	4.0
183.11688	7.2
185.13287	5.1
187.11125	3.1
187.14856	3.6
189.16418	4.3
195.11742	6.1
197.13197	3.1
199.14803	4.1
201.16449	4.3
203.07042	5.0
203.17937	4.3
209.13348	3.9
215.08557	4.0
215.18057	5.6
221.13301	5.6
226.54683	3.8
227.14436	4.3
257.19058	3.8
271.24252	11.4
275.09210	20.5
275.19894	3.6
289.25238	34.6
295.26404	5.3
307.16821	2.9
307.26324	44.4
325.27475	18.8
333.20639	11.5
361.20554	3.4
377.15591	5.1
385.17703	3.8
407.69275	3.5
437.17856	21.4
479.21957	5.8
523.21600	63.1
523.28662	4.4
538.59198	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	523.3118
Annotation	Sedumoside E1
Peak:m/z	Relative Intensity
53.03961	7.0
55.05514	29.7
57.07073	15.4
58.73487	5.0
59.00985	5.4
67.05500	26.2
69.03427	13.4
69.07083	51.4
71.04998	8.7
79.05486	19.5
81.03419	23.3
81.07054	67.9
83.04995	10.3
83.08634	37.9
83.39532	5.3
85.02913	23.0
89.05914	6.6
91.05489	13.9
93.07074	34.4
95.04958	7.6
95.08622	57.9
97.02885	13.8
97.06557	11.6
97.10188	38.7
105.07027	24.3
107.08624	33.9
109.02888	11.7
109.06572	6.2
109.10174	100.0
111.11736	21.0
119.08586	21.2
121.10143	33.0
123.11728	69.7
125.09635	10.6
127.03919	13.5
127.11205	11.5
133.10149	18.3
135.11694	12.7
139.11188	26.4
143.10690	5.6
145.10149	7.9
146.48610	6.5
147.11673	23.3
149.13280	13.8
157.10144	6.9
157.12285	28.1
161.13235	14.7
163.14812	11.6
163.74226	6.3
165.12755	12.5
169.10399	5.4
171.11705	6.4
175.14854	8.8
179.17976	14.3
183.13753	14.3
203.14253	6.3
203.17931	30.8
209.13324	7.5
219.17464	9.4
221.19003	67.7
229.59177	6.0
237.18468	14.8
239.20102	24.6
257.21097	8.0
327.44278	5.4
339.56085	5.3
347.22198	23.7
365.23294	73.0
383.24344	39.7
401.25302	21.7
403.19113	6.0
407.76953	6.2
431.78674	7.3
523.23047	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	523.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.3
55.05518	46.8
57.07072	9.6
66.80027	6.6
67.05512	36.7
69.03424	22.2
69.07075	57.4
71.04977	15.3
79.05505	17.7
79.07582	5.6
81.03407	13.9
81.07065	67.0
83.04984	34.0
83.08617	23.8
84.10085	5.7
85.02908	21.0
85.81850	5.6
91.05484	30.6
93.07063	34.3
95.04980	21.0
95.08617	72.6
97.02896	10.1
97.06554	11.7
97.10165	32.4
105.07040	38.0
107.08593	29.0
109.02871	15.5
109.06516	10.1
109.10166	100.0
111.04443	6.8
111.08083	8.8
111.11669	12.0
115.05442	7.2
117.07003	9.9
119.08585	40.8
121.10151	28.8
123.11726	58.9
125.09673	9.9
127.03923	15.6
129.07001	6.6
130.67419	6.5
131.08553	18.9
133.06480	13.5
133.10106	23.3
135.11743	8.7
137.05919	14.8
137.09650	8.6
137.13196	6.2
139.11179	24.6
142.07742	9.8
143.08549	12.5
145.06445	9.5
147.08073	8.6
147.11722	20.2
149.13243	17.1
151.11266	8.0
156.09352	8.2
157.10155	15.2
157.12245	20.4
159.08163	8.7
159.11720	11.2
161.09703	9.1
161.13255	8.1
163.77611	7.2
165.12718	16.4
169.10112	9.6
171.11703	13.3
173.13231	6.6
177.16397	8.2
179.17987	9.0
183.11743	10.2
185.13275	13.8
195.11696	7.8
197.13376	11.2
199.11171	44.5
203.17896	32.3
213.12842	15.8
217.84653	7.3
221.18988	62.5
223.11234	8.6
225.12843	11.2
233.59927	7.3
235.14854	8.3
237.12570	8.6
237.18491	33.4
239.20073	14.3
251.14363	10.6
267.92923	6.2
295.16882	9.2
299.14267	9.5
301.15979	8.0
309.17099	7.4
329.21060	7.5
347.22153	20.1
361.17752	7.9
365.23318	60.3
383.24136	40.0
387.19672	20.4
401.25266	24.7
403.19116	18.4
405.20657	41.4
423.21771	33.5
523.20789	12.7
523.27838	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	523.3116
Annotation	Sedumoside E1
Peak:m/z	Relative Intensity
55.05513	18.5
62.99575	7.2
64.38055	6.9
67.05511	41.0
69.03434	40.7
69.07085	35.6
69.73326	21.1
69.73723	16.3
77.96674	7.1
79.05466	17.0
81.03417	26.5
81.07076	73.6
83.04999	14.7
83.08635	14.7
85.02903	22.9
91.05471	24.2
93.07043	36.4
95.04966	18.4
95.08617	100.0
97.10194	14.7
98.21461	13.8
100.26659	7.0
103.29655	7.0
105.07031	44.7
107.04903	8.0
107.08573	46.8
109.02911	16.8
109.10171	91.3
111.04438	13.4
111.11708	13.5
113.09647	7.4
119.08587	34.2
121.10138	37.9
123.11704	42.9
125.09634	7.9
127.03922	8.6
131.08543	24.6
133.10115	26.2
135.11676	22.2
137.06021	10.7
137.13248	12.0
139.11195	25.9
145.10143	24.4
147.11696	25.5
149.09645	11.2
149.13278	16.4
159.11728	22.2
161.09642	7.9
161.13289	14.8
163.11229	14.5
163.14828	16.0
165.09087	7.8
171.11745	9.6
173.09653	8.9
173.13322	8.8
183.11681	8.8
187.11185	7.7
189.12755	9.2
199.11156	8.1
201.16402	15.0
203.17987	17.2
204.97266	6.9
205.12262	11.7
219.17480	33.5
221.18994	37.8
247.52614	9.1
275.19821	9.0
311.20074	13.5
314.44418	9.6
329.21130	40.7
347.22260	82.1
362.85062	7.6
365.23199	61.7
383.24286	75.6
475.20624	8.3
490.54449	8.7
523.20874	15.7
532.54718	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	523.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01868	2.0
55.05500	3.9
63.58418	1.0
65.03954	1.4
67.05503	6.0
69.03434	1.7
69.07053	1.7
71.04968	1.0
71.07178	1.5
71.07501	1.1
74.60217	0.9
79.05500	5.2
81.07041	6.8
83.04956	2.5
90.39968	1.0
90.44460	0.9
91.05495	5.5
93.07053	7.8
95.04963	8.2
95.08605	6.5
97.06538	11.0
99.04466	1.0
103.05473	45.1
105.07033	10.8
107.04947	3.2
107.08605	7.7
109.06512	4.2
109.10179	1.5
111.08112	1.1
115.05455	1.9
117.07058	2.6
119.08578	10.4
121.06496	5.0
121.10164	2.8
123.08087	4.1
128.06233	2.1
129.06990	3.1
130.07835	1.4
131.04933	100.0
131.08566	7.7
133.06470	2.1
133.10132	9.4
135.08051	3.3
137.05986	1.2
141.06985	2.9
142.07817	3.2
143.08572	8.8
144.09390	1.5
145.06467	2.1
145.10098	10.5
147.08049	4.9
147.11662	3.0
149.09605	3.8
153.07014	1.0
155.08487	4.5
156.09331	5.9
157.10150	12.9
159.08035	9.3
159.11707	6.7
161.06003	1.1
161.09586	6.3
161.32129	0.9
163.11253	1.7
165.07024	2.3
167.08578	2.8
167.10632	1.1
169.10132	7.3
170.10884	3.0
171.08072	1.8
171.11726	13.0
172.08922	1.3
172.12320	1.1
173.09633	6.9
173.13298	4.7
175.11156	2.0
177.09207	1.0
179.08585	3.6
179.10721	2.2
180.09378	1.2
181.10086	4.6
182.10959	3.7
183.08118	2.4
183.11714	7.4
185.09636	5.1
185.13272	7.6
187.11183	4.9
187.14900	1.7
189.09163	3.5
192.09427	1.3
193.10158	3.5
194.10936	3.4
195.08032	1.2
195.11713	12.0
196.12505	1.3
197.09622	4.0
197.13239	9.5
198.10333	2.0
199.11191	8.7
199.14664	1.4
200.12009	2.9
201.09099	2.8
201.12634	4.7
203.08592	1.3
203.10623	1.7
203.14334	1.3
205.10236	1.3
206.10953	1.7
207.11621	5.3
208.12422	1.7
209.09634	2.5
209.13283	4.0
210.10358	2.6
211.11214	3.5
213.12770	10.2
215.14328	3.6
216.09315	1.3
217.10223	1.7
217.12253	4.0
218.10925	1.5
219.11749	3.3
219.13809	1.4
220.12482	2.7
221.13365	5.0
223.11154	2.8
223.14819	2.2
225.12759	6.5
227.10677	2.1
227.14284	2.7
229.12180	1.5
231.11710	2.9
231.13835	5.2
232.12538	1.8
233.13293	3.1
234.14079	1.4
234.52531	1.0
235.14845	6.2
236.15720	1.1
237.12717	2.4
239.10562	1.3
241.12300	4.2
243.11685	1.5
243.13844	12.1
244.12544	1.1
245.13223	3.1
245.15425	1.5
246.14018	2.2
247.11201	1.6
247.14888	2.9
249.12709	2.2
249.16391	4.1
251.14311	2.9
251.17972	1.5
258.10220	1.0
258.13937	2.1
260.15677	2.7
261.12595	1.4
261.14999	3.9
263.14398	3.8
263.17920	3.3
265.15762	1.6
265.19620	1.9
267.10110	1.4
267.17395	2.0
269.15536	1.2
270.87341	1.0
273.16400	2.6
275.17935	6.0
277.16049	2.2
279.17590	2.6
281.15320	1.6
288.14981	1.5
291.17426	5.5
293.19028	7.1
295.16870	3.8
297.18274	2.4
303.17447	4.3
309.18463	4.1
311.20126	4.9
321.18530	16.5
327.19568	1.6
339.19559	32.0
339.23514	2.2
357.20654	25.7
375.21826	11.4
403.19159	1.4
505.25803	2.5
523.27203	15.9
546.72852	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54975	0.9
55.01867	2.9
60.78972	0.9
69.03420	2.1
69.75180	5.4
70.06593	1.6
71.04990	1.6
81.03389	1.6
82.23179	1.0
84.08160	2.2
85.02917	3.5
91.05476	2.2
97.02893	2.2
98.21471	2.2
99.04417	1.6
105.07066	1.3
109.02866	1.1
123.08069	1.0
127.03933	2.4
131.04922	1.2
137.05994	1.9
151.03889	1.7
151.07571	1.2
174.05640	1.0
181.05000	2.0
192.69209	1.3
199.08656	8.8
200.09456	2.1
201.06616	1.3
209.10753	1.2
211.08655	9.1
212.09419	5.2
213.06680	2.3
213.10243	10.0
214.07262	1.1
214.10992	2.3
221.10776	1.3
223.12227	1.1
225.06670	4.2
225.10179	11.5
226.07378	7.2
226.10988	5.3
227.08118	9.6
227.11685	6.9
229.09676	2.8
237.10307	3.2
238.10991	2.6
239.08179	3.6
239.11719	8.5
240.08867	4.9
240.12694	3.5
241.09737	13.5
241.13513	2.7
242.10490	6.1
243.11310	1.2
244.12112	1.5
245.12871	3.5
251.11842	4.0
253.06081	2.2
253.07167	1.5
253.09714	11.4
254.10474	7.6
255.07552	1.9
255.11365	13.9
257.08994	1.3
257.12912	4.8
265.09732	3.0
266.10428	1.3
267.08176	2.1
267.11267	15.7
268.08804	2.6
268.12115	14.3
269.09323	3.0
269.12857	6.6
271.10870	3.9
273.12384	1.5
279.11359	3.4
281.09335	5.1
281.12524	2.0
282.09933	1.3
283.10852	7.4
284.11597	2.4
285.08755	6.1
285.12384	4.6
286.09650	1.2
293.09189	3.2
293.12650	2.5
295.10742	12.6
296.11536	5.4
297.08987	2.2
297.12372	8.5
299.10239	3.7
299.13599	1.7
301.11841	10.4
307.10858	2.5
307.14185	1.2
308.11621	1.7
309.08868	2.5
309.12378	2.8
311.10294	2.3
311.13565	1.7
313.08313	3.6
313.11725	24.8
314.12598	4.7
315.13193	2.1
319.10962	1.3
321.08740	2.5
321.12460	3.9
323.10208	5.1
323.13974	1.8
325.11801	6.0
327.09732	2.7
327.13400	5.8
329.11249	8.0
333.12747	1.2
335.13876	4.1
337.11850	3.5
339.09708	6.4
339.13428	4.2
341.11279	12.4
342.12161	11.4
343.12891	2.9
345.11414	1.7
351.09735	1.7
351.13614	2.2
353.11172	2.6
353.15125	2.4
355.13037	10.7
357.10809	4.6
359.12466	1.7
361.13925	5.3
363.13455	5.5
365.14771	2.0
367.13098	5.0
369.10831	2.9
371.12375	3.5
373.14059	15.0
379.12964	4.9
381.14514	8.2
383.12286	3.2
385.13956	2.9
391.12796	5.4
393.14624	1.6
397.13901	3.1
399.11230	1.9
399.15649	4.4
401.13470	17.2
407.12317	1.8
409.13959	23.2
411.15955	1.3
413.13480	5.4
417.17026	1.9
419.12823	1.7
425.13446	12.1
427.14987	15.3
429.12564	11.0
433.15906	2.3
437.13409	12.7
445.16074	21.2
455.14496	34.0
457.16061	10.5
460.14938	1.3
463.17157	5.1
469.16107	10.6
473.15585	100.0
487.17191	22.2
491.16669	35.7
505.18195	95.2
523.19226	64.6
523.25153	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	523.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63837	1.8
55.01870	3.3
56.15892	1.4
63.21448	1.6
69.03426	2.1
70.82921	3.9
85.02907	1.8
125.31338	1.4
137.05965	2.0
146.06113	1.5
184.07556	1.7
199.08682	8.6
200.09467	2.3
211.08708	7.9
212.09453	4.3
213.10254	9.5
214.10994	2.5
223.08835	1.9
224.09540	2.0
225.06686	2.5
225.10205	14.1
226.07368	9.5
226.11086	5.1
227.08183	9.5
227.11781	4.4
228.08772	2.1
229.09564	2.6
237.10243	3.3
239.08191	3.9
239.11865	6.8
240.08923	4.3
240.12610	5.0
241.09718	12.7
242.10446	9.4
243.11337	3.3
245.12952	5.0
249.10408	2.1
251.11868	2.8
252.09018	2.0
253.06258	1.6
253.09795	9.8
254.10536	4.1
255.11311	16.4
257.09009	1.6
257.12964	3.7
265.09769	4.2
267.08139	3.0
267.11343	17.1
268.09015	2.7
268.11987	14.3
269.09567	1.7
269.12982	4.3
273.12378	2.3
279.11392	4.3
280.12146	2.6
281.09204	3.5
281.12646	2.2
283.10794	7.6
285.08765	4.9
285.12393	5.3
287.10281	2.6
293.09366	2.7
293.12833	2.9
295.10797	11.7
296.11652	7.4
297.08743	4.0
297.12366	7.4
299.10394	3.8
301.11871	11.0
307.10965	2.6
309.08792	2.1
309.12244	4.7
311.10342	2.3
311.13828	2.1
313.08383	2.5
313.11798	34.6
314.12625	4.7
315.13327	2.4
321.08939	2.3
323.10355	5.9
325.11865	6.1
327.09869	2.3
327.13409	3.7
329.11310	4.7
335.10217	1.7
335.13980	3.1
337.11981	3.5
339.09854	5.5
339.13531	3.4
341.11389	14.4
342.12164	11.6
343.12814	4.8
349.11960	2.6
351.13428	3.0
353.15179	3.1
355.12933	11.1
357.10770	4.7
361.13913	5.0
363.13562	5.8
367.13022	4.3
369.10742	2.4
371.12341	4.4
371.16422	1.6
373.13974	12.6
379.12811	4.0
381.14673	8.7
383.12369	3.5
385.14117	2.5
391.12686	4.3
397.13974	1.8
399.11374	2.5
399.15988	2.2
401.13538	15.1
409.13892	19.7
411.15732	2.2
413.13382	6.8
425.13443	15.4
427.15015	15.1
429.12256	7.1
437.13367	7.2
441.16275	1.5
445.16104	20.6
455.14481	35.4
457.16150	12.4
463.17203	6.8
469.16086	10.3
473.15576	92.7
487.17227	20.2
491.16678	42.3
505.18185	100.0
523.19263	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63985	0.2
53.88440	0.2
55.05517	0.4
56.05041	0.4
57.07055	0.2
58.06609	0.4
60.08166	5.6
67.05507	0.4
69.07066	0.7
69.33901	0.2
69.52850	1.5
70.06577	0.2
71.07374	3.1
79.05496	0.4
81.07061	0.7
83.08643	0.4
86.09708	27.6
87.10062	0.2
91.05457	0.3
93.07042	0.5
95.08610	0.5
98.98471	2.8
104.10751	3.0
107.08568	0.5
109.10175	0.5
119.08595	0.4
121.10109	0.4
123.02558	0.2
125.00011	19.3
135.11699	0.2
157.10175	0.2
173.13365	0.3
184.07344	100.0
185.07704	0.3
248.87645	0.2
400.29495	0.4
450.29379	0.3
472.34885	0.4
486.31973	0.8
504.34494	1.3
522.35315	4.6
522.84619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.9
55.01868	1.7
55.05509	4.3
57.03421	1.4
59.04999	1.9
60.85888	1.3
61.44038	1.1
65.03951	1.2
65.57312	1.5
65.90228	1.4
66.46376	1.2
67.05508	15.3
67.33853	1.4
69.03439	6.8
69.07069	4.1
69.14886	1.2
70.33576	4.8
74.18980	1.3
79.05479	7.1
79.87067	1.3
81.03419	19.4
81.07051	9.4
83.04977	3.1
83.08601	2.1
85.02920	6.3
85.06554	2.2
91.05481	9.0
93.03426	2.2
93.07055	4.9
95.01333	23.9
95.04977	46.2
95.08617	7.5
97.02894	32.8
97.06526	1.4
97.10210	1.6
99.04463	4.2
99.08092	2.1
103.05391	2.0
105.07043	25.9
107.04962	2.9
107.08604	5.5
108.08907	1.3
109.02887	24.4
109.10194	6.0
111.11662	1.4
115.05475	7.7
116.06285	1.7
117.07034	14.1
119.04943	1.7
119.08601	6.7
121.10172	3.2
123.04422	1.4
123.11681	3.7
125.09673	1.4
127.03922	16.2
128.06229	3.8
129.06990	9.5
131.04927	2.8
131.08571	4.6
133.06500	7.6
133.10138	2.9
135.08047	1.5
135.11720	1.6
137.05978	3.5
137.09628	2.0
141.06979	6.4
142.07791	13.2
143.08568	5.1
145.06485	3.2
145.10139	5.2
147.08020	2.7
147.11610	1.5
151.07549	6.8
152.06200	2.0
153.07001	3.3
155.08553	14.5
157.06503	3.2
157.10165	9.9
159.08136	3.1
161.02399	5.9
161.06000	13.7
161.13280	2.4
163.03937	1.6
165.07016	4.2
167.08609	5.4
168.05650	1.5
169.06451	2.9
169.10152	1.4
170.07265	3.0
171.08032	2.0
171.11633	1.8
173.09650	2.0
178.13063	1.3
179.03406	5.6
179.06989	3.1
181.10310	1.2
183.08060	26.9
185.09619	13.2
187.07596	2.6
189.05530	2.0
195.08118	1.4
199.28645	1.3
201.05522	1.3
201.09103	4.8
211.07561	16.8
213.09143	6.8
215.07019	3.9
221.18964	2.4
229.05034	2.1
229.08585	24.6
239.07072	5.4
256.74484	1.4
257.08099	100.0
275.09137	41.2
317.10266	3.6
365.10184	1.5
383.11331	22.3
401.12335	63.1
403.00742	1.8
419.13541	7.9
419.24658	2.3
437.20898	1.5
522.37982	1.5
523.20801	7.1
523.29370	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	522.356
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.54060	0.3
55.05512	1.8
56.05028	1.1
57.03448	0.4
57.07068	0.9
58.06606	1.3
59.07391	0.4
60.08168	17.5
63.74783	0.3
63.94091	0.3
67.05514	2.3
69.06760	0.4
69.07081	3.1
70.40202	0.3
71.07377	6.1
71.08611	0.5
71.55219	0.3
73.53992	0.3
79.05495	1.0
81.07066	2.0
83.08601	1.5
85.06580	0.4
85.77401	0.3
86.09713	51.6
91.05495	0.6
93.07047	1.2
95.04956	0.3
95.08646	1.6
97.06596	0.4
97.10201	1.0
98.77888	0.3
98.98475	4.0
104.10754	99.3
105.07060	0.5
107.08607	0.5
109.10174	0.9
119.08636	0.4
121.10097	0.6
125.00018	27.4
135.11687	0.7
136.93143	0.4
137.13214	0.4
163.01495	0.5
172.95274	0.6
184.07358	100.0
198.56271	0.3
216.73415	0.3
258.11115	1.4
287.57611	0.4
304.15195	0.3
304.78394	0.3
339.28989	1.1
420.22531	0.4
504.04327	0.3
504.34512	9.9
522.35626	43.6
523.35687	0.4
548.00757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00687	1.9
53.03938	3.8
55.05510	10.9
57.07053	3.8
59.04990	2.6
67.05511	15.9
69.03420	8.4
69.07070	11.3
71.04992	20.1
71.55444	3.5
72.58713	1.9
73.06558	2.2
76.33019	2.1
79.05491	24.3
81.03413	5.5
81.07063	93.8
81.10045	2.3
83.08607	7.2
85.02913	21.0
85.06569	3.6
87.00835	7.6
91.05486	13.6
93.07048	44.8
95.04971	2.8
95.08623	33.9
97.02883	8.0
97.06528	4.1
97.10175	5.8
99.04478	2.4
99.08094	3.6
105.01880	16.1
105.07033	44.3
107.08600	54.2
109.02882	6.9
109.06510	3.4
109.10166	35.3
111.08014	2.3
113.09622	4.0
115.05473	2.1
117.06985	3.8
119.08587	86.3
121.06522	1.9
121.10128	6.5
123.08044	3.4
123.11700	16.9
125.09618	4.8
127.03909	10.1
127.11199	24.2
133.10141	36.5
135.11700	100.0
137.13251	2.7
139.11203	3.2
143.10690	12.0
145.04958	6.2
145.10092	5.1
147.11676	23.4
149.13217	7.3
153.12733	6.8
159.11679	4.8
161.13249	19.8
163.14806	4.1
165.09134	4.5
174.21745	1.9
175.14824	4.2
203.17973	73.3
219.17940	2.1
221.19022	73.3
231.05075	4.9
249.06033	4.2
256.09641	2.6
281.21207	3.0
302.72101	2.5
442.79431	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	521.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07382	2.5
55.05517	29.0
57.03446	11.6
57.07090	12.4
60.31524	2.2
67.05520	17.0
69.06782	2.5
69.07085	33.1
71.08638	8.9
74.46148	2.8
79.05499	18.8
81.03429	72.0
81.07068	21.1
83.04970	9.3
83.08636	39.1
85.22817	2.8
90.77164	2.4
91.05482	17.0
93.07052	15.5
95.04973	19.9
95.08617	15.2
97.06547	2.7
97.10183	16.6
105.07039	14.8
107.04948	8.7
107.08612	8.7
109.06564	3.3
109.10168	5.5
111.08099	8.0
111.11756	5.1
117.07038	5.2
119.08595	18.8
121.06546	2.6
121.10160	14.4
129.07018	8.8
131.08583	8.4
133.10118	6.0
135.11670	4.5
142.07841	3.8
145.10110	5.0
147.08083	2.7
147.11720	8.6
149.09641	4.8
157.10162	11.2
159.11681	4.1
163.11241	5.8
170.37466	2.7
175.11205	8.6
193.12282	44.2
209.85941	2.4
211.13322	10.4
221.15454	2.7
227.12822	4.7
237.22176	3.6
267.15952	100.0
278.28482	2.3
311.25842	56.5
330.28735	2.6
377.17651	3.0
391.18994	6.0
392.20074	3.2
405.20633	4.3
406.21606	3.3
407.22235	8.0
428.29034	2.6
429.33749	3.5
441.29575	4.3
461.19516	5.4
485.04483	2.6
503.37308	37.2
521.25006	24.2
521.37872	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	521.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30204	5.9
53.03943	6.4
55.05512	34.8
67.05500	38.0
68.59540	5.8
69.03443	7.0
69.07063	17.4
71.05000	11.9
71.55695	8.6
79.05499	25.4
81.07059	48.0
83.04988	34.2
83.08649	12.7
91.05482	27.1
93.07051	36.2
95.04411	6.2
95.04962	14.1
95.08613	68.5
97.02805	7.0
97.06531	8.7
97.10190	6.9
105.03416	26.6
105.07030	50.5
107.04960	8.2
107.08599	53.6
109.10176	52.2
113.09644	15.7
117.07024	14.3
119.08591	56.2
121.06523	5.5
121.10178	31.8
123.11777	8.2
125.09647	6.6
128.06209	6.3
129.07069	12.9
131.04947	13.2
131.08609	30.1
133.06514	8.3
133.10141	50.2
135.08052	12.9
135.11720	20.5
137.13246	6.9
141.12770	6.7
142.07770	7.1
143.08562	27.7
143.40605	6.5
145.10117	44.0
147.11707	22.7
149.09625	9.2
149.13318	7.5
151.11224	7.5
155.08603	13.1
156.09348	14.5
157.10135	49.8
159.08017	6.5
159.11705	42.0
161.05986	23.7
161.09566	7.5
161.13297	18.1
163.14912	6.7
167.08650	6.7
169.10135	23.0
170.10947	14.6
171.08083	8.5
171.11725	69.8
173.13268	27.9
175.14850	8.0
183.11755	31.2
185.09743	9.9
185.13229	61.1
187.14879	32.9
189.16360	8.8
195.11763	11.3
197.13281	23.4
199.11205	21.6
199.14850	20.7
201.16382	13.7
209.13315	8.2
211.11072	9.1
211.14883	16.8
213.12776	31.6
213.16257	11.0
219.17508	7.9
221.13406	8.5
223.73514	5.5
227.18015	24.5
229.14334	8.9
231.13818	13.0
239.17999	18.4
241.12247	9.9
245.19014	28.4
253.19737	7.1
257.18945	8.1
259.13205	30.6
267.21066	8.4
275.20020	18.6
293.22583	7.1
311.23666	10.6
321.25363	6.1
355.18396	6.8
357.18323	7.5
361.17654	10.0
367.29980	17.5
379.33963	7.9
395.33148	33.1
403.18887	8.5
407.33209	100.0
421.20172	14.2
425.34268	56.5
425.87869	5.8
435.21780	8.6
443.35165	8.9
453.33646	7.0
471.34830	62.3
489.34811	6.1
503.33896	12.2
504.14853	6.2
521.26105	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.0
53.03942	2.3
55.05502	2.6
67.05501	5.6
69.03429	2.7
69.07072	0.9
71.55602	1.4
79.05515	3.8
81.07063	5.1
83.04978	4.0
91.05479	5.1
91.48700	0.9
93.07029	5.4
95.04977	7.1
95.08609	4.0
97.06544	2.5
99.62136	0.8
102.30984	0.8
103.05477	41.7
105.03406	1.9
105.07017	8.7
107.04902	1.0
107.08622	4.5
108.75277	0.8
109.06530	1.9
109.10138	1.9
115.05441	0.8
117.07047	1.8
118.34814	0.8
119.08602	6.1
121.06498	2.4
121.10161	3.3
123.08086	4.0
123.11675	0.9
128.06221	1.9
129.07019	1.0
131.04939	100.0
131.08569	4.5
132.05186	0.9
133.06490	1.1
133.10158	5.0
135.08052	4.9
135.11739	0.8
137.05963	1.8
141.06995	1.5
142.07747	2.8
143.08594	5.6
145.06477	2.1
145.10129	4.8
147.08055	3.6
147.11685	1.8
147.92854	0.7
149.09616	2.3
153.07039	1.0
154.07828	0.9
155.08559	4.1
156.09343	3.1
156.53227	0.8
157.10139	7.7
159.08054	4.6
159.11710	3.4
161.05978	1.0
161.09602	3.4
163.07530	2.6
166.07800	1.0
167.08569	2.0
168.09366	1.0
169.10118	4.4
170.10930	2.2
171.08072	1.9
171.11690	8.2
173.09660	4.0
173.13306	1.9
175.07535	1.4
175.11192	3.0
177.09079	2.5
178.64769	0.8
179.08643	1.4
180.09357	1.1
181.10139	3.1
182.10854	1.5
183.08052	1.4
183.11679	6.5
185.09595	3.8
185.13269	3.7
187.11264	5.2
189.05493	1.8
189.09123	3.1
192.09341	2.1
193.10115	3.4
194.10960	1.1
195.11717	4.1
196.08722	1.0
197.09628	2.6
197.13254	2.8
198.10384	1.3
199.11211	5.6
200.11954	1.0
201.12752	3.3
203.10620	1.1
205.10173	1.5
206.10883	1.2
207.11754	4.3
207.13431	1.0
208.12514	1.6
209.09651	1.3
209.13277	2.0
211.11201	4.6
211.14743	0.8
213.12741	4.9
215.10632	2.0
215.14259	1.5
217.10268	1.3
217.12132	1.3
219.11852	1.9
220.12502	1.0
221.13289	3.5
223.11224	3.3
223.14821	1.6
225.12709	4.3
227.10628	1.4
229.12207	1.4
231.11697	1.7
231.13747	1.6
232.12364	1.4
233.13217	2.4
234.14035	2.1
235.11220	1.8
235.14871	2.4
237.12923	1.4
237.16458	1.4
239.10414	0.9
241.12213	3.0
243.13809	2.0
244.12585	1.3
247.11201	1.3
247.14876	1.8
249.12672	1.2
249.16441	2.9
251.14288	1.9
253.12227	1.2
258.14224	1.1
259.13394	2.6
261.12714	2.6
261.16449	2.4
262.13708	1.1
263.14258	1.9
263.17926	1.2
265.15964	3.5
267.17523	1.8
276.15140	1.4
277.16022	3.8
279.13892	1.1
279.17456	2.6
289.12415	1.0
289.15897	2.0
291.14001	1.7
291.17480	3.0
293.15332	2.4
295.16953	3.0
297.18552	1.3
301.15842	1.0
304.14658	1.3
307.16928	3.5
309.18472	3.0
311.16287	0.8
319.13287	4.6
319.16956	8.7
325.17993	3.8
327.19876	1.4
337.18024	24.5
355.19064	36.7
367.15262	1.3
373.20142	6.2
403.19077	1.6
485.23132	1.7
503.24350	4.1
521.25201	20.0
521.31348	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	521.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73859	1.7
54.98533	2.1
67.44960	1.8
69.03429	4.8
71.40572	3.2
85.02900	10.0
88.26326	2.0
97.02879	5.1
98.97568	6.5
100.07629	2.7
103.83746	2.2
110.58266	2.1
127.03925	3.4
134.96066	1.8
158.99731	2.6
163.03957	2.3
199.71942	2.0
203.04054	3.2
219.01764	3.0
241.32799	1.9
267.69678	2.1
272.06445	2.1
307.13165	1.8
307.17419	2.0
521.14325	100.0
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	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.04663	0.6
53.03943	0.7
55.01870	1.2
55.05502	0.9
55.99876	0.3
57.03435	0.5
61.02923	0.4
61.86205	0.4
65.03941	0.4
67.01871	4.1
67.05505	1.4
68.95795	0.3
68.99789	1.2
69.03434	3.5
69.07056	1.5
69.54305	0.6
69.54713	2.0
70.06584	1.1
71.04982	1.3
79.05494	2.2
81.03422	3.4
81.07063	3.7
83.04964	1.1
83.08620	0.8
84.04510	0.6
84.08125	0.8
85.02902	5.5
85.06521	1.0
86.09689	0.6
87.00829	1.3
87.04469	0.4
91.05476	2.9
93.07042	2.8
94.07358	0.4
94.58235	0.4
95.04965	1.4
95.08609	2.6
97.02911	2.8
97.06520	1.0
99.04465	1.7
99.08137	0.4
103.05467	1.1
104.43810	0.4
105.01861	1.4
105.07045	2.7
106.07371	0.4
107.04967	2.0
107.08596	3.3
109.02894	2.5
109.06538	1.0
109.10168	2.3
111.00771	0.5
111.04412	0.6
111.08091	0.8
115.05462	0.4
117.01817	0.5
117.07002	0.6
118.87604	0.4
119.04953	5.8
119.08576	2.2
120.08113	0.4
121.02867	0.6
121.06516	2.7
121.10149	2.8
123.04433	1.7
123.08050	0.6
123.11737	0.8
125.02383	0.7
125.06004	0.4
125.09631	0.7
127.03915	3.5
127.11186	0.4
129.01840	0.9
129.07011	0.4
130.05029	0.6
131.04927	1.5
131.08556	1.1
133.02884	0.6
133.06534	0.6
133.10149	1.7
135.08058	0.6
135.11668	1.1
137.05983	3.7
137.09619	0.9
139.07513	0.4
143.08589	0.6
145.04964	2.2
145.06514	0.4
145.10164	1.7
147.04419	21.7
147.08075	0.5
147.11685	0.8
149.09624	1.3
149.13257	0.6
151.03883	0.5
151.07516	0.8
153.01833	89.9
157.06508	0.4
157.10101	1.0
159.02861	1.4
159.08052	0.5
159.11711	1.5
160.12073	0.6
161.06012	1.1
161.09644	0.8
161.13242	0.8
163.07567	0.5
163.11214	0.6
165.09177	0.6
169.10182	0.4
171.02899	18.9
171.11630	0.7
173.09686	0.4
173.13242	0.6
175.07431	0.5
177.09120	0.4
177.12714	0.4
177.16460	0.4
179.03311	1.7
183.11668	0.5
185.13283	0.6
187.14839	0.4
189.05513	1.0
189.09103	0.7
189.16380	0.4
195.02838	0.9
195.11755	0.5
197.13197	0.7
199.14839	0.5
201.05463	1.8
201.08968	0.4
201.16368	0.7
203.08365	0.4
203.10419	0.3
209.13223	0.5
211.14919	0.6
219.10052	0.9
219.13820	0.4
219.17493	1.2
220.17790	0.7
231.04742	0.5
231.06766	0.7
237.18517	1.3
255.06432	0.5
255.19553	0.6
273.07578	100.0
274.08035	0.6
323.25803	0.4
376.91315	0.4
401.07159	0.7
449.30383	0.8
467.31531	0.4
485.32571	1.2
521.18677	0.8
521.34644	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.3
56.05032	0.5
57.03433	0.1
57.44320	0.1
58.06328	0.3
58.06619	0.6
59.52194	0.1
60.08166	5.8
67.05500	0.5
69.07072	0.2
69.89165	0.4
69.89582	0.3
71.07379	3.0
74.47230	0.1
79.05484	0.2
81.07056	0.6
86.09709	29.0
91.05482	0.2
95.08598	0.4
98.98466	2.6
104.10744	2.7
122.51466	0.2
125.00009	19.5
143.01088	0.1
184.07346	100.0
185.05913	0.1
185.07677	0.2
258.11169	0.2
384.36121	0.2
502.32809	1.3
520.33966	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	520.3399
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
54.50051	0.4
55.05508	1.1
56.05031	1.3
57.03435	0.5
57.07069	0.4
58.06614	1.3
59.07385	0.5
60.08167	18.5
67.05507	2.5
69.07063	1.3
69.21014	0.4
69.21355	3.7
70.06577	0.5
71.07377	5.8
79.05496	1.0
81.07077	3.0
83.08610	0.4
86.09709	48.7
91.05461	0.7
93.07050	0.5
95.08588	1.7
98.98468	3.4
104.10748	100.0
109.10146	1.0
110.06329	0.4
125.00011	28.8
163.01608	0.7
184.07347	99.2
185.07596	0.4
258.11060	1.3
283.58984	0.3
306.71063	0.4
311.85419	0.4
342.91394	0.4
359.85544	0.3
440.22372	0.4
457.78394	0.4
502.32901	10.5
520.33997	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	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
55.01863	1.8
55.05511	7.5
57.07070	2.1
57.44864	1.2
59.04995	2.6
61.68080	1.3
67.05506	10.2
69.03432	6.8
69.07079	8.3
70.24194	4.0
71.04996	28.1
73.06554	4.2
79.05497	12.3
81.03418	3.6
81.07055	28.7
83.04974	2.5
83.08617	4.7
85.02914	12.1
85.06541	1.9
87.00830	4.1
91.05499	10.2
93.07052	26.1
95.04961	3.2
95.08613	34.1
97.02892	5.2
97.06529	4.4
97.10151	4.4
99.04476	1.3
99.08085	5.3
105.01876	9.4
105.07039	34.2
107.08609	27.1
109.02877	3.4
109.06504	1.5
109.10165	17.5
117.07015	3.4
119.08579	13.0
121.06540	2.0
121.10141	22.6
123.11713	8.7
125.09639	24.3
127.03922	5.9
127.07541	4.1
127.11185	3.5
129.07079	1.9
131.08571	6.7
133.10138	55.6
133.49342	1.4
135.11687	3.0
137.09602	2.1
139.11179	2.3
143.10672	37.0
145.04951	3.6
145.10144	11.0
147.11699	15.9
149.13277	27.4
151.11295	2.9
159.11684	11.4
161.09595	1.6
161.13249	6.4
163.11215	2.3
167.14328	100.0
169.12126	2.4
173.13283	2.5
180.67229	1.5
181.04906	3.2
201.16396	12.8
203.17963	3.9
219.17458	58.3
221.19119	1.6
231.05049	1.7
237.18539	11.0
249.06041	2.5
287.58109	1.8
449.21567	1.6
467.22748	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.01874	1.8
55.05518	7.4
57.03436	1.7
57.07062	1.5
59.04980	2.7
60.16151	1.8
65.03942	1.9
67.05499	7.2
69.03434	8.6
69.07065	4.2
70.07750	2.1
70.08087	6.8
70.44437	1.3
71.04998	19.7
75.60691	1.4
76.49019	1.6
79.05489	11.3
81.03432	4.2
81.07065	37.0
83.04977	2.3
83.08649	2.0
85.02909	9.6
85.06544	2.8
87.00841	4.8
88.43720	1.4
91.05481	12.9
93.07058	16.1
93.72185	1.4
95.04953	2.1
95.08614	13.0
97.02377	1.5
97.02896	9.1
97.06557	5.4
97.10175	4.8
99.04466	3.4
99.08105	15.8
105.01880	12.0
105.07035	44.9
107.08605	18.9
109.02887	4.2
109.06497	3.2
109.10161	12.6
117.07010	4.3
119.08590	20.0
121.10147	13.1
123.11727	4.4
125.09644	43.7
127.03943	6.0
127.07584	8.8
127.11244	7.9
131.08528	9.2
133.10139	80.1
135.11717	6.3
143.10678	100.0
145.04962	4.4
145.10136	12.3
147.11676	25.0
149.13272	7.7
151.11211	4.0
159.02916	2.2
159.11720	13.5
161.13266	5.3
163.11311	2.3
167.10831	1.7
167.14342	10.6
169.12289	4.0
173.13298	3.0
177.12761	2.2
191.18062	1.9
201.16417	15.4
203.17917	2.0
215.65860	1.7
219.17453	73.8
231.04904	3.4
237.18492	17.5
240.79446	1.8
249.06117	2.8
264.22598	1.8
396.13196	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
55.05512	9.9
57.03434	3.2
60.04523	1.6
62.06065	1.1
67.05517	1.2
69.03449	5.9
69.07072	18.8
70.06598	6.2
71.04977	3.3
71.54797	1.3
72.08150	3.9
73.02910	1.3
73.06553	2.4
75.02522	1.2
79.05490	3.0
81.03413	2.9
81.07047	5.8
82.06578	5.0
83.04991	7.5
84.04460	2.0
84.08126	1.7
85.02911	10.7
86.06075	43.2
86.09679	2.5
87.04460	1.9
88.22432	1.1
89.06059	9.0
91.05460	2.1
93.07035	3.0
95.04941	1.0
95.08601	3.1
96.08139	18.1
97.02898	5.6
97.06528	5.2
98.06065	1.8
98.09696	13.1
99.04449	2.8
100.07616	3.0
101.06025	10.1
105.07047	2.1
107.08598	4.1
108.08128	3.7
109.02857	1.5
109.06522	2.6
109.10164	1.7
110.06043	4.9
110.09700	2.2
111.04437	12.3
114.09159	3.2
115.07589	3.4
116.01670	1.2
116.07112	3.3
116.10738	59.5
119.08596	1.9
121.10133	2.0
122.09694	2.4
123.08108	1.2
124.07669	5.6
124.08366	1.1
126.09177	3.7
127.03933	2.5
129.05484	5.6
130.04939	1.2
131.08601	1.4
133.08617	7.2
134.09641	1.5
136.07541	1.2
137.05997	2.1
138.09129	1.7
141.09145	1.5
142.08644	37.9
145.04962	2.2
145.10162	1.9
147.06549	2.0
147.11716	1.3
151.11115	2.9
154.08644	32.6
154.12263	2.9
155.07028	1.8
159.10173	1.7
159.11671	1.5
163.11159	1.3
164.10767	2.5
166.08592	1.2
169.12263	5.3
172.09700	47.9
173.08134	5.5
177.11252	3.2
182.15469	3.0
189.87512	1.1
190.12250	1.6
194.15431	3.8
198.14865	1.6
201.16519	1.4
204.06560	2.5
205.06984	2.5
207.01418	1.1
208.13335	3.1
212.04390	1.0
212.16475	100.0
219.17375	2.0
226.14429	16.7
230.17525	59.3
244.15474	51.6
258.16983	3.4
259.11130	3.4
278.15872	2.3
291.10788	1.2
322.20343	1.9
340.21210	57.9
358.22321	19.7
374.21689	10.2
388.19559	3.3
392.22809	16.1
406.16058	1.4
406.20764	5.7
502.26093	6.8
520.27985	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	520.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.6
54.17176	2.0
55.05497	6.3
57.03437	3.5
57.07066	6.0
59.04985	2.0
59.09903	1.6
61.02910	2.6
65.03923	3.1
67.05506	21.7
68.05813	2.4
69.03432	13.3
69.07064	14.8
69.27991	14.4
71.04993	21.7
72.05320	2.1
76.02232	4.9
79.05492	13.7
80.05805	2.1
81.03413	13.3
81.06646	2.8
81.07069	31.7
82.07365	3.4
83.04989	4.4
83.08615	5.1
85.02911	30.5
85.06536	8.2
86.06042	2.1
87.00827	8.0
91.05473	18.0
92.05790	2.4
93.07042	32.8
94.07373	3.7
95.04970	9.0
95.08612	33.1
96.05272	2.7
96.08904	2.4
97.01118	2.1
97.02908	12.0
97.06516	5.6
98.20778	4.2
99.04449	3.4
99.08096	2.5
100.07614	7.8
105.01866	22.9
105.07034	37.2
106.07355	5.6
107.04955	2.0
107.08588	30.2
108.08921	9.2
109.02878	7.7
109.06522	4.4
109.10156	35.5
110.10471	9.3
111.04455	2.2
111.08051	3.8
113.05976	2.5
115.07526	2.6
116.10729	3.8
117.07033	11.8
119.08583	27.1
120.08897	6.1
121.06495	3.3
121.10139	36.1
122.10478	7.4
123.08050	6.0
123.11698	6.8
124.12082	2.5
125.09641	8.6
126.09940	2.2
127.03925	21.2
127.11197	14.3
128.11493	3.7
130.04970	1.9
131.08577	29.3
132.08890	2.1
133.10144	28.3
134.10454	4.8
135.08052	5.2
135.11696	30.3
136.12001	2.7
137.06012	6.5
137.09607	7.2
138.09975	2.0
142.66638	1.9
143.08615	4.5
143.10677	5.9
145.04980	8.5
145.10124	57.2
146.10498	5.4
147.08066	2.0
147.11685	21.0
148.12021	11.2
149.09627	8.8
149.13223	4.2
153.12744	7.3
154.13028	3.1
157.10069	5.8
159.02969	2.0
159.11700	30.0
161.09633	2.3
161.13319	9.8
162.02213	4.0
163.11176	5.0
165.12743	3.0
166.13109	2.8
169.10109	2.0
171.11685	2.2
173.09560	1.9
173.13272	8.3
175.11110	2.6
175.14795	9.8
176.15041	4.0
177.12726	1.9
179.04884	3.0
186.14108	4.0
189.16423	7.2
190.16724	3.5
191.17906	7.1
193.15918	4.4
194.16182	5.4
195.10226	2.6
201.16403	78.5
201.18271	4.3
211.16963	3.0
217.15901	7.4
218.16260	6.3
219.17458	100.0
231.05029	4.9
235.16949	16.7
236.17294	21.2
237.18575	4.9
242.13879	3.0
249.06053	9.3
253.18019	8.1
254.18335	11.4
259.10895	2.3
272.06509	1.8
284.09833	2.8
288.16208	3.7
316.20987	3.1
340.25027	4.4
344.19315	4.0
362.20416	4.4
373.17914	15.1
379.79617	1.8
380.21545	14.5
397.22052	5.3
398.22519	26.0
520.33954	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	520.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
55.05510	10.1
66.82631	2.8
67.05494	15.7
69.03423	10.9
69.07061	10.2
69.86221	13.9
71.04997	30.7
79.05496	16.7
81.03417	9.0
81.07056	42.6
83.05000	5.0
83.08637	5.8
85.02895	17.1
85.06531	10.1
87.00825	5.9
87.65680	3.2
88.55331	3.2
91.05491	22.1
93.07053	40.9
95.04990	6.8
95.08613	41.5
97.02896	7.2
97.06542	16.4
97.10172	3.4
99.04467	5.5
99.08089	9.3
105.01875	7.2
105.07033	61.6
107.08599	46.9
109.02912	4.2
109.06504	5.6
109.10175	29.8
111.08055	3.8
117.06988	4.7
119.08581	23.7
121.10168	26.5
123.11720	14.2
125.09627	41.2
127.03950	17.8
127.07559	9.0
127.11192	8.1
130.73625	3.1
131.08578	15.4
133.10136	100.0
135.08034	3.7
135.11687	8.4
137.06012	3.8
139.11183	4.4
141.89284	3.3
143.10670	57.2
145.05003	6.4
145.10135	21.5
147.11725	23.5
149.09590	3.9
149.13300	26.4
151.11128	9.9
157.10124	5.8
159.11678	16.3
161.13246	12.7
163.11125	3.8
164.74138	3.6
167.13011	5.0
167.14337	71.4
169.12144	4.1
171.11673	3.4
173.13319	5.9
175.14758	6.5
201.16354	20.8
203.18057	5.8
207.17407	7.2
219.17442	85.4
237.18573	19.5
520.23010	3.6
520.30609	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	519.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.2
55.05308	5.0
55.05516	50.7
59.04996	18.3
66.64015	4.6
67.05508	54.5
69.03428	11.2
69.07070	27.1
69.36243	9.9
69.36648	34.9
70.10645	5.1
73.91776	4.9
74.82626	4.8
77.03917	5.9
79.05489	45.7
81.07058	78.2
83.04978	39.5
83.08624	12.9
85.06545	7.9
91.05466	45.6
93.07050	79.8
93.43032	5.5
95.04951	13.8
95.08611	100.0
97.06541	15.6
97.10213	10.8
103.05449	14.7
105.07035	90.5
107.08612	92.6
109.06491	9.5
109.10153	62.6
111.08105	29.4
111.11698	5.6
113.09643	5.8
115.05430	6.9
117.07008	18.3
119.08588	92.9
121.06488	7.4
121.10156	66.0
123.07990	9.8
123.11687	29.6
125.09608	6.9
128.06247	9.2
129.07005	13.7
130.07809	5.6
131.04950	49.1
131.08594	60.1
133.06458	6.8
133.10144	67.3
135.08099	8.3
135.11711	34.6
136.82050	5.2
137.09605	11.8
139.07532	22.9
141.07031	7.2
142.07796	12.3
143.08563	40.4
145.06502	6.8
145.10130	79.1
147.08008	11.0
147.11687	46.0
149.09634	13.7
149.13245	39.9
150.22624	5.8
151.11153	5.2
155.08553	20.2
157.10136	51.4
159.08110	10.7
159.11723	72.3
161.09674	13.3
161.13254	47.8
163.14801	10.0
169.10182	28.7
170.10959	8.6
171.08061	11.1
171.11711	60.3
173.09659	9.7
173.13309	30.2
175.07578	6.6
175.14877	27.4
177.09035	6.9
177.12784	8.2
177.16356	18.3
179.08731	6.0
181.10141	9.3
183.11705	37.1
185.13261	50.3
187.14839	42.2
189.09068	8.4
189.16391	34.4
191.10629	10.3
191.14398	7.1
191.17867	5.5
195.11742	12.7
197.13268	32.4
199.11035	11.8
199.14900	33.4
201.12724	7.3
201.16425	26.4
203.14529	6.3
203.17914	16.9
205.12177	6.8
205.15837	9.9
206.10936	6.4
207.11763	11.5
207.17450	19.5
209.13284	13.4
211.14818	25.0
213.16434	15.4
215.17978	17.7
215.88042	5.7
217.16008	11.6
217.19403	9.3
219.17369	7.0
221.13341	5.8
223.11069	8.6
223.14818	13.0
225.12836	6.0
225.16374	18.4
227.18053	25.8
237.16389	15.4
239.14159	7.0
239.17886	16.2
243.14027	5.5
245.19070	23.9
248.11990	5.4
251.18001	12.0
253.19539	25.1
255.21188	12.1
267.21133	7.2
279.21066	7.7
281.22662	9.0
293.22620	16.2
295.24203	17.9
311.23618	27.1
313.25259	18.4
339.26703	8.3
351.26868	24.0
365.28354	11.7
367.26175	10.8
369.20673	9.1
369.27954	11.7
373.18054	7.1
379.26221	12.9
381.28073	6.2
383.29678	9.6
387.30048	6.1
393.27466	9.8
393.32077	10.1
397.27002	14.5
399.28775	8.1
405.31528	18.3
411.28732	22.6
411.33264	10.1
415.28412	85.2
419.18198	10.9
423.32629	59.9
429.29941	29.0
441.33606	20.4
447.30890	6.6
451.31766	16.3
457.33148	13.4
469.33179	38.9
487.22983	9.4
487.34232	58.0
501.23105	8.4
501.35715	12.8
519.24036	29.7
519.36780	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	16.5
57.03433	2.9
57.07070	4.4
59.04999	8.9
59.31851	1.6
67.05178	2.0
67.05509	23.9
69.03424	2.0
69.07074	12.4
69.35424	6.6
69.35863	9.0
70.54917	1.8
71.04987	6.0
78.43821	1.5
79.05490	18.2
81.07066	43.4
81.66115	1.9
83.04968	8.3
83.08606	8.2
85.06538	5.5
91.05477	18.1
93.07051	44.5
95.04981	3.1
95.08612	72.3
97.06535	7.2
97.10162	4.6
99.08108	3.8
103.70872	1.8
105.07037	41.9
107.08599	48.1
109.06511	2.0
109.09480	2.4
109.10177	35.0
111.08096	11.1
113.09631	2.7
116.76633	2.0
117.07030	11.4
119.07800	3.3
119.08588	41.5
121.06502	1.8
121.09317	3.3
121.10152	38.1
123.08039	4.9
123.11739	9.9
125.09644	6.5
128.06145	2.1
129.07027	8.7
129.09096	2.6
131.08580	30.4
133.10139	34.2
135.08080	2.8
135.11729	19.1
137.09637	4.3
139.07529	17.1
139.11172	2.9
141.07025	4.5
142.07745	3.1
143.08578	24.8
145.10124	45.2
147.11702	31.6
149.09595	3.0
149.13263	15.2
151.11211	3.6
155.08557	9.2
156.09363	3.6
157.10141	31.7
159.11710	47.3
161.09605	3.2
161.13272	28.1
163.11151	2.9
163.14786	7.2
167.10658	2.2
169.10159	17.5
170.11000	3.2
171.11702	32.4
172.12343	1.9
173.13272	32.5
175.14842	13.7
177.05484	8.1
177.12709	9.3
177.16389	2.5
179.14333	2.2
181.10127	7.1
183.11726	22.5
184.12486	3.1
185.13280	43.7
187.14833	31.2
189.16405	6.5
191.14409	1.9
193.10019	3.4
195.11707	8.4
196.12544	2.1
197.13277	16.9
198.13913	2.7
199.14847	22.2
201.12706	2.8
201.16469	10.3
203.14278	9.4
203.17953	4.0
205.15900	3.5
207.11700	2.2
208.12459	2.1
209.13213	10.6
209.15170	2.1
210.14049	2.3
211.14853	21.2
212.15555	2.6
213.16385	24.2
214.17091	2.1
215.17947	11.1
217.15840	6.6
217.19504	6.2
221.13422	2.3
223.14841	11.1
225.16437	15.2
227.17970	28.0
229.15730	2.8
229.19498	4.0
231.17480	4.4
235.14825	3.8
237.16536	9.5
239.17995	12.7
241.15819	2.0
241.19521	9.4
243.17409	5.7
245.19012	29.8
249.16348	3.2
251.17946	9.4
253.19522	14.0
255.17383	4.0
255.21123	6.9
257.18939	7.6
263.17950	4.5
265.19534	6.2
267.21130	9.9
269.18857	2.2
271.20590	5.4
277.19479	2.6
279.20999	3.3
281.18942	4.3
281.22629	5.8
283.20685	3.1
285.21942	3.2
291.21075	2.6
293.22647	20.9
295.20795	3.6
295.24210	8.3
307.24234	11.1
309.22351	3.5
309.25577	3.7
311.23718	23.7
313.25293	7.0
321.25723	6.1
323.23737	2.4
323.27246	4.5
325.25363	6.9
329.24887	4.9
333.25690	6.7
339.26688	8.2
341.28369	2.1
347.27444	3.0
349.25302	2.2
351.26840	26.1
363.30484	5.9
365.28339	5.5
367.26306	2.4
369.20715	3.0
369.27939	19.6
379.26181	5.3
381.31595	6.2
383.29471	4.5
393.31711	2.7
397.27206	3.1
405.31473	11.5
411.32568	6.4
415.28464	100.0
423.32538	31.1
429.29849	4.7
441.33597	15.4
447.30792	8.7
451.32159	4.5
459.34738	3.8
469.33173	14.7
487.34247	83.1
501.35788	18.3
519.37042	13.1
523.83478	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74037	0.7
55.05503	1.8
57.07071	1.7
59.83609	0.7
67.05513	5.2
69.03426	1.2
69.07059	2.9
69.41286	4.7
78.77589	0.6
79.05493	3.6
81.03429	6.0
81.07062	5.8
83.08615	1.5
91.05482	4.7
93.07072	4.8
95.04971	3.7
95.08603	4.1
97.10185	1.0
98.21499	1.2
105.03382	1.3
105.07044	5.0
107.04996	1.5
107.08604	3.7
109.06506	2.9
109.10173	7.7
115.05473	0.8
117.07031	1.9
119.08585	5.1
121.06499	1.9
121.10144	3.7
123.11717	0.9
124.23428	0.6
125.98201	0.6
127.11185	0.7
128.06259	1.2
129.06985	2.0
131.04939	4.9
131.08589	4.0
133.06389	1.0
133.10143	6.0
135.08023	1.2
135.11734	1.7
137.09608	1.2
141.06969	1.1
142.07814	1.0
143.08542	5.3
145.06499	0.8
145.10114	5.7
147.08060	2.9
147.11702	2.3
149.09599	0.8
149.13252	0.8
154.07774	0.9
155.08601	3.6
156.09311	1.6
157.10139	6.4
159.08075	2.9
159.11705	5.3
161.09615	6.1
161.13284	1.4
168.09373	1.0
169.10112	5.0
170.10863	1.4
171.11699	4.3
173.09605	7.0
173.13271	1.9
175.11182	2.9
175.14841	1.9
181.10130	1.9
182.10959	1.9
183.11662	5.0
184.12442	2.1
185.09630	1.0
185.13277	8.4
187.11208	1.1
187.14821	2.2
189.16383	1.0
193.10121	1.0
195.11707	2.7
196.12486	1.6
197.13301	5.3
198.13953	0.8
199.11102	1.0
199.14769	3.9
201.16411	2.4
209.13298	2.8
210.14032	1.0
211.14879	3.6
213.16368	1.5
215.14409	0.8
217.15901	2.3
223.14870	2.4
224.15645	1.0
225.12903	0.8
225.16383	4.6
227.17949	3.3
235.14857	0.8
237.16409	2.5
239.17987	7.6
251.18018	1.7
253.15825	1.5
253.19560	1.9
261.16428	0.7
265.15869	0.8
265.19525	0.9
267.17487	1.8
267.21127	2.5
269.18930	0.8
279.20966	1.3
291.17395	2.5
293.19199	0.6
293.22632	2.0
305.19196	0.8
311.23471	0.7
318.19958	1.1
319.20697	2.9
331.20456	2.2
343.24225	0.8
346.22949	2.0
361.25284	100.0
362.25681	1.5
379.26376	8.9
397.27411	2.1
400.34238	0.8
505.28940	0.7
519.24237	1.3
519.37000	2.6
531.83539	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2801
Annotation	Terragine A
Peak:m/z	Relative Intensity
53.03944	10.8
55.01868	13.5
55.05510	20.4
57.03445	11.4
57.07067	3.9
59.05001	1.7
61.02925	8.3
65.03909	1.5
67.05172	1.8
67.05504	23.7
68.99792	4.4
69.03431	56.9
69.07066	19.3
71.01344	2.1
71.04995	57.7
71.08613	2.6
71.56208	2.4
73.02917	9.7
77.12723	1.5
79.05489	21.1
81.03420	52.4
81.06580	2.5
81.07059	42.8
81.76325	1.6
83.04982	15.9
83.08622	12.5
85.02908	100.0
85.06551	3.1
85.10134	1.9
87.00831	37.9
91.03948	2.6
91.05465	18.3
91.41580	1.4
93.07047	19.7
95.04980	12.0
95.08609	36.6
97.02895	30.3
97.06555	8.8
97.10160	9.7
99.04455	33.6
99.08064	2.8
101.02351	2.5
101.06026	3.6
103.03942	3.0
103.05437	1.8
105.01187	2.4
105.01865	28.5
105.07037	14.4
107.04941	2.8
107.08604	14.7
109.02883	46.9
109.06499	6.0
109.10158	15.7
111.04430	2.3
111.08099	4.1
113.09661	1.9
114.93332	1.3
115.03900	2.2
115.11215	1.8
117.01833	4.4
117.06999	2.9
119.08576	14.9
121.06503	4.7
121.10140	25.2
122.03758	1.6
123.04407	2.4
123.08095	2.9
123.11703	6.5
127.03918	75.0
127.07538	6.9
129.01846	6.3
129.02780	1.3
129.07025	1.9
131.04918	2.2
131.08559	4.9
133.10139	15.7
133.85597	1.4
135.08035	2.9
135.11697	11.3
137.05986	3.9
137.09612	4.5
137.13307	2.3
141.07028	2.0
143.08539	3.0
145.04959	20.6
145.06476	2.1
145.10118	6.4
147.02911	3.6
147.11710	9.4
149.09618	1.6
149.13242	2.6
151.07518	1.7
151.11153	2.8
151.14804	2.4
153.12712	2.1
155.08583	3.1
157.10205	3.3
159.02911	18.3
159.11653	2.9
161.05992	2.1
161.09645	3.1
161.13255	5.8
162.06261	1.6
163.07553	2.7
163.14819	3.2
167.05602	1.3
169.10081	2.4
175.07405	1.6
175.11186	2.4
175.14819	4.9
178.16434	1.3
181.15967	1.7
183.11606	2.4
185.09674	1.5
185.13258	1.8
189.03955	5.4
189.09007	1.7
189.16246	1.6
191.17975	2.6
193.10240	3.1
193.12134	2.0
195.11699	2.1
199.11142	3.1
209.19069	8.8
211.14925	1.8
213.03952	3.0
217.19495	19.6
219.17444	2.8
221.13260	1.7
223.14604	1.5
227.16417	2.9
231.05029	16.8
233.18993	2.2
235.20584	9.3
236.17462	1.5
253.21640	91.6
271.22672	60.3
277.21725	5.6
283.17206	1.5
295.22681	12.6
319.16910	1.7
319.22595	2.0
337.23624	4.2
343.22617	4.6
355.19083	4.5
361.23752	6.0
379.24716	3.2
417.11789	1.5
447.23383	2.0
461.88834	1.6
465.24564	2.4
483.25937	2.0
501.26935	3.3
519.21143	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	519.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56066	0.4
52.57333	0.4
53.01945	0.4
53.03945	0.5
54.72027	0.4
55.05505	0.9
67.05504	1.0
69.03410	0.7
69.07068	0.7
69.39041	3.4
79.05502	2.8
81.07050	3.9
83.04987	0.8
85.02917	0.5
91.05470	1.6
93.07037	1.5
95.04979	0.9
95.08603	4.0
102.82816	0.5
103.05448	0.5
105.07033	2.3
107.04951	3.3
107.08601	2.0
109.06516	1.6
117.07011	1.0
119.08573	2.5
121.10132	0.6
129.07010	1.2
131.08553	1.4
133.06482	1.0
133.10121	1.4
135.08102	0.7
137.06018	0.7
143.02777	0.4
143.08566	2.4
145.06485	0.6
145.10118	1.7
147.08051	2.2
147.11726	0.6
149.09628	1.0
153.07004	0.5
155.08556	0.7
156.09364	1.8
157.10117	5.2
159.08051	1.8
159.11710	2.1
161.09581	0.7
163.11157	1.1
168.09308	1.0
169.10133	1.5
170.10938	1.4
171.08115	1.0
171.11691	17.6
173.09612	2.7
173.13278	1.4
181.10143	0.9
183.11699	25.8
185.09628	1.8
185.13264	7.4
186.10419	0.5
187.11217	2.1
193.10211	0.6
195.11766	0.8
197.09656	1.4
197.13261	0.9
199.11249	3.3
201.12703	2.5
207.11743	1.2
208.12416	0.7
209.13300	1.5
211.11163	2.8
213.12762	4.1
215.10728	0.5
217.12279	0.5
218.10909	0.5
219.11690	0.8
220.12529	0.9
221.13306	1.4
223.14899	0.8
225.12877	0.7
229.12163	1.0
231.11786	0.6
231.13815	0.6
233.13277	0.9
234.10527	0.6
234.14070	0.7
235.11264	0.8
235.14792	1.2
237.12779	0.5
239.14450	0.5
243.13782	1.4
245.13278	0.7
245.15399	5.1
246.14148	0.5
247.14828	1.9
248.11862	0.5
248.15660	0.5
249.12708	0.7
249.16452	2.5
251.14401	0.8
251.17966	0.9
255.13962	0.7
259.14978	0.7
260.15808	0.6
261.16589	1.2
262.13461	0.9
263.14279	0.7
267.13623	0.6
273.16397	0.6
274.13370	0.5
275.14395	0.7
275.17877	0.5
276.14896	0.6
277.15958	2.8
279.17459	1.1
287.14377	0.5
289.15787	0.5
291.17230	1.9
295.16977	0.6
301.15833	1.1
303.17603	0.9
305.15253	0.5
307.16971	0.6
309.18469	1.0
319.17084	0.9
321.18433	0.7
331.16934	0.8
333.18442	0.5
335.16565	0.6
335.20129	0.5
337.17984	0.8
339.19550	0.8
349.17957	0.5
351.19550	1.0
353.20990	0.7
363.19305	0.7
367.19312	0.8
369.20624	100.0
370.21194	1.4
371.22223	0.9
381.20392	1.1
391.19434	0.6
395.18195	0.6
409.20206	3.1
411.21619	0.5
427.21213	10.0
428.22290	0.8
429.22739	1.2
441.22653	0.8
451.21170	1.2
469.22287	2.6
483.23923	0.9
487.23306	14.6
501.25073	4.1
518.83856	2.4
519.25757	6.5
519.33228	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03870	0.5
57.03444	0.9
67.05521	1.2
67.24425	0.4
69.03421	1.4
69.07066	0.9
71.04969	0.6
71.51627	0.9
72.08157	0.7
74.57838	0.5
79.05487	1.4
81.03419	1.3
81.07047	1.8
83.04987	1.1
85.02896	2.3
86.09711	0.7
89.03893	0.5
91.05466	1.1
93.07062	1.9
95.04967	0.9
95.08616	1.9
97.02911	1.2
97.06518	0.9
105.07029	1.5
107.08624	1.4
109.02868	1.1
109.06509	0.7
109.10179	1.4
119.08581	1.7
121.06557	0.7
121.10120	1.5
125.09614	0.6
125.13096	0.5
127.03941	0.8
131.08591	1.1
133.10121	0.9
135.11722	0.9
137.06012	2.5
137.09573	0.7
142.07732	0.5
143.08575	0.6
145.05032	0.7
145.10199	1.4
147.08080	0.5
149.09666	0.7
151.07596	0.9
157.10094	0.9
159.08125	0.5
159.11682	1.1
161.05951	0.5
161.09680	0.8
163.07578	0.6
167.10706	0.8
172.03929	0.8
175.07457	0.6
189.16374	0.7
204.06483	1.0
211.13254	1.2
212.13664	1.1
235.17067	0.7
253.17979	0.7
259.07870	0.8
283.15451	0.7
299.06232	1.0
322.37051	0.5
357.18985	3.0
475.23071	0.8
487.21362	0.9
519.24176	100.0
520.24585	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.5
55.01876	7.2
55.05514	5.7
55.82521	2.5
55.95970	2.8
56.66400	2.6
57.38553	2.3
57.70414	2.6
60.05294	2.8
67.05518	16.8
69.03442	13.6
69.07066	6.1
70.26826	9.6
71.04994	3.0
79.05502	24.6
81.03413	7.0
81.07070	18.0
83.04979	8.3
84.08147	2.9
85.02908	11.7
85.06531	2.9
86.09720	2.4
91.05482	33.3
93.03403	5.5
93.07053	22.5
95.04982	19.7
95.08628	17.4
97.02927	8.0
97.06527	10.4
103.05463	5.5
105.04559	2.9
105.07029	42.2
107.04951	5.3
107.08600	29.5
109.02922	4.6
109.06535	10.6
109.10154	15.4
111.04420	4.9
111.08110	5.5
114.38592	2.5
115.05473	4.7
117.07047	15.1
119.04942	4.3
119.07792	5.1
119.08594	60.6
119.79838	2.4
121.06509	9.0
121.10118	13.6
123.00828	2.3
123.04455	7.1
123.08071	14.4
123.11726	9.1
125.06004	12.2
125.09657	3.7
127.03945	6.3
128.06242	9.2
128.98738	2.7
129.07042	15.6
131.04951	4.0
131.08580	25.3
133.06575	12.8
133.10149	45.4
135.04440	3.2
135.08073	48.8
135.11690	5.5
137.05965	14.0
137.09645	11.3
139.03896	3.1
139.07539	4.6
141.05496	3.5
141.06981	3.6
143.08577	30.5
145.06520	18.0
145.10130	21.1
146.07253	3.2
147.04445	3.2
147.08066	70.8
147.11703	8.0
149.05978	5.9
149.09601	9.4
151.03926	4.2
151.07556	6.3
153.01778	3.0
153.05492	40.8
153.06793	3.9
154.28914	2.7
155.08597	6.0
156.09401	3.6
157.06549	6.0
157.10123	12.4
159.08066	23.3
159.11708	12.1
161.06017	12.0
161.09618	53.7
161.13287	5.5
163.07588	21.1
163.11230	2.6
165.05591	3.1
165.07011	5.1
165.09161	9.6
167.07005	2.7
167.08524	3.8
167.10677	3.3
169.06456	3.2
169.10152	8.3
171.08035	24.4
171.09091	2.3
171.11745	7.1
173.05974	7.1
173.09671	11.9
173.13258	4.8
175.07584	9.3
175.11215	6.2
175.14909	5.3
177.09163	3.2
179.07039	3.8
179.08466	5.1
179.10680	3.8
180.09390	3.2
181.08675	3.3
181.10173	4.6
182.10982	2.8
183.08052	6.0
183.11742	7.7
185.06018	3.0
185.09625	8.3
185.13260	6.7
187.07581	10.1
187.11188	6.1
189.09135	60.6
189.12735	2.8
191.07089	4.1
191.10699	3.4
193.08604	4.0
193.10193	4.6
195.10146	6.3
195.11754	5.6
197.09630	4.9
197.13272	6.1
199.07567	14.7
199.11232	9.1
199.14838	7.6
201.09163	8.8
201.12769	4.8
203.07036	7.5
203.10670	6.2
205.08560	5.8
207.08134	2.7
207.10069	5.2
207.11816	4.1
209.09601	4.0
211.07689	3.0
211.11180	6.8
213.09122	4.7
215.07010	2.8
215.14423	3.1
217.08524	17.3
217.15891	5.0
219.10144	6.4
221.09705	3.3
221.13481	4.0
223.09528	3.1
223.15039	3.4
225.09235	3.2
225.12866	5.1
225.16281	4.1
227.10703	3.2
231.10138	6.8
235.09547	14.3
235.16965	4.5
237.12808	3.2
241.08636	4.3
245.07977	2.8
249.11246	44.6
251.14359	3.6
257.13220	3.2
267.12289	100.0
271.03070	4.7
271.06027	87.6
271.08801	5.6
275.14166	2.7
283.13507	4.3
291.21271	3.4
299.06314	5.3
303.23111	4.2
309.22061	5.2
323.16287	3.1
345.14935	3.7
381.16946	6.5
383.18481	5.7
395.17596	3.5
399.18021	7.0
400.18982	3.4
401.19632	2.7
405.16754	3.5
411.25327	3.9
423.17828	3.9
433.16510	5.7
447.17926	4.5
465.18546	12.5
465.29459	3.9
483.20139	21.2
483.30969	7.7
501.20865	8.4
501.31976	5.5
519.11340	3.5
519.21851	13.5
519.32892	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73230	1.4
53.03938	4.1
55.01872	3.8
55.05272	2.8
55.05515	45.0
59.58460	1.5
65.25336	1.5
66.92944	1.4
67.05511	9.6
69.03406	3.6
69.07061	2.0
78.01630	1.5
79.05474	5.5
81.03432	8.3
81.07054	3.2
83.04988	100.0
91.05480	25.1
93.07050	21.4
95.04976	32.5
95.08612	3.2
98.20721	3.0
105.03373	3.5
105.07035	8.7
107.04910	1.7
107.08604	8.8
108.96797	1.6
109.06519	2.9
109.10155	3.5
113.05988	2.4
115.05450	5.1
116.06212	3.9
117.07005	8.7
119.04967	8.6
119.08557	5.5
121.06531	13.8
121.10165	2.1
123.00777	1.9
123.08039	1.9
125.06007	9.6
127.03933	2.7
128.06197	3.5
129.07002	8.3
131.04922	2.6
131.08578	51.6
133.06480	9.2
133.10129	2.8
135.08069	15.2
139.03889	11.1
141.06999	10.4
142.07765	3.4
143.08575	6.6
144.05649	1.9
145.02896	1.5
145.06488	20.7
147.04366	2.7
155.03372	4.9
156.09300	1.5
157.06493	2.3
157.10167	4.8
158.07149	1.7
159.08060	51.1
160.08809	2.7
161.09616	3.1
163.07558	78.6
165.05493	3.1
168.09395	1.9
169.06479	12.5
171.11716	3.3
173.05951	2.3
173.09605	5.9
175.07538	4.0
175.11220	2.1
177.09146	2.4
179.07188	3.6
187.07545	47.1
189.05397	3.9
190.50111	1.6
191.07068	3.5
193.10217	3.0
201.09024	2.7
203.07005	7.5
203.10651	5.7
205.04956	3.4
205.08627	21.0
209.09555	2.3
211.11293	2.2
215.07042	8.7
217.08562	6.9
217.12465	2.3
219.10187	13.1
229.08630	7.5
233.08066	10.2
245.11739	4.5
247.09677	96.9
265.10852	11.0
267.10214	2.3
291.19388	2.2
305.13947	2.5
307.11609	2.0
323.14737	1.9
341.13443	1.6
347.14969	14.9
359.14874	2.2
386.08173	1.7
407.16891	3.4
407.30627	1.9
419.22125	1.7
519.33643	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	519.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.01877	1.4
55.05519	47.9
57.03434	1.2
60.08174	1.0
67.05513	6.5
69.03446	2.5
69.07072	1.6
69.23841	1.0
69.57804	7.3
71.04999	1.8
72.56194	0.9
73.47482	1.0
79.05505	4.1
81.03434	2.7
81.07059	3.8
83.04992	100.0
86.09737	2.3
90.79651	1.0
91.05495	16.3
93.07053	8.3
95.04981	37.3
95.08633	2.9
103.05461	1.7
105.03407	1.6
105.07057	6.0
107.08601	2.9
109.10140	1.1
111.04461	2.3
115.05470	3.5
116.06264	2.7
117.07029	6.2
119.04961	2.9
119.08597	3.8
121.06512	4.0
121.10161	1.6
124.99963	1.1
125.06042	5.4
128.06279	3.5
129.07024	5.3
130.07826	1.5
131.04915	3.5
131.08582	37.2
133.06490	3.1
133.10136	1.4
135.08070	3.8
137.05940	1.6
139.03918	11.5
141.07025	9.4
142.07796	4.5
143.08572	4.0
144.05716	2.6
145.02870	2.2
145.06499	8.8
145.10124	2.5
147.08064	2.6
151.07526	1.3
153.05582	2.0
155.03448	1.3
157.06526	2.8
157.10187	3.6
158.07330	2.1
159.04460	1.8
159.08075	36.5
161.05983	1.5
161.09610	2.8
163.07559	6.9
165.05490	4.5
169.06490	13.7
169.07787	1.7
170.07336	1.5
171.08040	1.4
173.05946	1.3
173.09647	6.5
175.07655	1.5
177.05513	2.5
177.09163	1.8
179.07086	1.4
184.07385	8.2
185.07811	1.5
185.09570	1.4
187.07565	28.5
189.05510	9.6
191.07072	2.4
191.10561	1.4
197.06049	2.6
199.11159	2.0
201.09094	5.0
203.07091	4.0
205.05005	1.5
205.08655	4.7
211.11157	1.9
215.07062	7.2
215.10570	1.8
217.08607	7.8
219.10167	14.4
227.10582	1.3
229.08670	8.6
233.08090	7.7
239.10663	1.6
243.13797	1.9
245.11748	6.0
247.09691	97.6
265.10754	13.1
281.11761	1.3
291.19604	1.4
299.12726	1.9
305.13904	4.3
307.11813	9.5
327.12344	2.4
335.26001	1.5
359.15045	2.9
407.16989	3.7
451.80917	1.1
519.22668	1.6
519.33496	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
55.05529	0.4
57.03440	0.6
61.02930	0.4
65.03934	0.6
67.05506	0.7
69.03433	2.3
69.07076	0.5
69.29538	1.0
69.29954	1.8
73.04725	0.4
74.19521	0.3
76.02220	0.7
79.05478	0.9
80.04998	0.4
81.03412	2.0
81.07067	0.8
83.04986	0.4
84.04498	0.8
85.02915	2.6
85.06532	0.5
86.06065	1.3
89.03908	0.9
91.05482	0.9
93.07029	1.5
94.06581	1.7
95.07359	1.2
95.08610	0.6
96.08146	2.1
97.02879	1.8
97.06548	0.6
99.04455	0.9
101.06025	0.3
103.05473	0.5
105.07027	0.6
107.08630	0.6
108.08128	2.9
109.02877	0.7
109.06488	0.4
109.10180	0.4
110.09678	3.5
116.04984	4.1
118.06510	0.3
120.08113	3.6
121.06525	0.5
121.10174	0.5
122.06023	3.9
122.09695	0.7
124.07596	1.1
127.03928	1.1
130.05019	0.4
131.08594	0.4
133.10155	0.5
134.05994	0.5
135.08096	0.4
136.07570	6.5
137.05975	2.8
138.09140	3.9
144.04443	10.2
145.05081	0.3
145.10138	0.4
146.06017	2.7
147.07716	0.6
147.11705	0.4
148.03949	2.9
148.07590	2.0
151.07520	0.4
154.08649	0.6
161.06042	0.4
162.05498	4.9
162.06755	0.4
163.07579	0.4
164.07077	0.4
166.05008	0.4
166.08650	11.1
167.05542	0.6
172.03938	55.7
173.04277	0.5
174.05522	2.1
175.11201	0.4
176.07042	0.3
179.04933	0.7
190.04997	14.3
204.06564	100.0
205.06796	0.3
222.07655	0.6
251.11972	0.6
255.11206	0.5
263.11191	0.4
271.10690	0.4
279.11331	0.7
283.10736	1.1
297.12219	0.6
299.05930	0.5
301.11850	0.6
307.10803	0.4
308.00748	0.3
311.13684	0.3
315.13364	0.4
316.08047	0.8
325.11816	2.3
329.14844	1.4
334.09113	2.6
339.13425	2.1
339.16806	0.4
343.12970	1.7
357.14438	15.9
459.17545	0.4
469.15759	0.5
487.17099	3.6
501.18341	1.4
519.19226	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	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.3
56.05039	0.6
57.03438	0.2
58.06357	0.2
58.06635	0.4
60.08165	6.2
67.05515	0.7
69.07061	0.2
69.39208	0.2
69.39604	0.9
70.06604	0.1
71.07376	3.2
79.05499	0.4
81.07059	0.5
83.04963	0.2
86.09708	30.3
93.07030	0.3
95.08615	0.3
98.21481	0.2
98.98466	2.9
98.99113	0.2
104.10745	2.6
107.08582	0.2
122.75774	0.1
125.00009	20.4
139.73685	0.1
157.10010	0.1
166.02629	0.1
184.07346	100.0
185.07689	0.3
245.15582	0.1
258.10983	0.2
292.15054	0.1
300.00101	0.1
335.25702	0.2
500.31317	1.2
518.32397	3.0
540.39874	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3245
Annotation	1-18:3-lysoPC
Peak:m/z	Relative Intensity
55.05515	1.1
56.05034	1.4
57.03446	0.4
58.06592	1.6
59.07415	0.3
60.08170	16.3
61.52801	0.3
67.05512	2.7
69.07068	0.9
69.27122	2.1
71.07383	7.0
79.05495	1.7
81.07060	2.0
83.08649	0.5
86.09715	51.7
91.05509	0.8
93.07053	2.1
95.08622	1.6
98.21520	0.6
98.98486	4.2
104.10755	100.0
105.07042	0.6
107.08599	1.3
113.00075	0.3
121.10145	0.8
125.00020	28.6
131.08624	0.5
133.10158	0.4
135.11671	0.4
163.01579	0.8
166.06413	0.3
184.07358	95.8
249.48846	0.3
258.11032	1.1
286.72110	0.3
335.25931	1.1
347.34055	0.3
385.61121	0.3
406.30347	0.3
476.40222	0.3
500.31421	8.5
518.32495	34.9
519.33148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3892
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03938	2.7
55.01866	1.7
55.05517	11.9
57.03429	3.5
57.07074	1.7
58.45296	0.7
61.96015	0.7
65.03938	1.7
67.05175	1.6
67.05509	24.0
67.81541	0.9
69.07069	9.6
70.15647	0.9
71.04988	0.9
71.55264	0.9
71.55611	0.9
73.04863	0.8
77.21633	0.8
79.05496	21.0
79.73141	0.7
81.03442	0.9
81.06580	1.7
81.07062	31.2
83.04971	1.3
83.08622	7.3
85.06552	2.4
91.05476	13.9
93.07049	22.1
95.04962	3.9
95.08610	24.6
97.06536	3.0
97.10146	2.8
105.03401	25.5
105.04502	1.6
105.07037	19.8
107.08600	19.4
109.06502	2.2
109.10164	11.2
111.08096	1.2
115.05475	1.1
117.07020	7.7
119.08590	18.7
121.10145	13.3
123.08051	1.3
123.11681	4.2
125.09627	1.4
128.06207	1.2
129.07005	3.3
131.08577	14.9
133.10136	15.0
135.08090	1.4
135.11705	8.0
137.09604	1.1
137.13306	1.1
139.11278	0.8
139.41284	0.8
142.07861	0.8
143.08551	5.3
145.10132	13.1
147.11691	11.9
149.09595	1.8
149.13286	6.4
155.08585	1.2
155.26642	0.9
157.10146	5.3
159.11688	11.2
161.13237	7.0
163.14865	2.7
165.12912	0.9
169.10139	2.4
171.11700	5.7
173.13263	6.9
175.14848	3.2
183.11765	2.9
185.13248	4.5
187.14856	4.6
189.16321	2.1
197.13315	2.0
199.13171	1.0
199.14868	3.4
201.16367	2.3
211.14880	1.5
213.16451	2.2
219.17387	1.4
225.16333	0.9
227.18077	1.4
231.17378	1.0
241.18008	2.6
255.21036	0.9
259.20639	3.0
269.19034	1.1
271.20599	1.2
277.21652	1.1
287.23767	1.4
299.23770	1.8
301.25375	1.2
313.25305	1.5
315.23621	1.2
333.24289	1.6
335.25854	1.1
394.74991	1.1
405.30231	2.0
407.32968	2.7
425.34131	10.3
443.35217	5.0
447.31219	1.2
461.36496	1.1
481.36917	1.2
499.37869	14.7
517.30243	4.2
517.38910	100.0
518.39423	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69975	2.5
53.03952	4.1
55.01863	7.8
55.05513	19.8
57.07061	3.7
58.53960	2.7
59.05004	18.6
67.05508	25.8
68.36607	2.8
69.03422	10.3
69.07073	15.9
71.04976	7.0
79.05503	23.7
79.92403	3.1
81.03406	10.0
81.07060	42.2
83.04967	12.9
83.08607	11.0
85.06548	7.1
91.05486	33.2
93.06556	4.2
93.07050	44.4
95.04992	20.6
95.08608	48.4
97.06542	20.9
97.10170	5.8
98.20714	6.4
99.08104	5.1
103.05447	4.1
105.04551	3.0
105.07043	57.5
107.04979	10.4
107.08604	43.6
109.06540	8.5
109.10162	26.5
111.08092	21.7
113.09641	7.0
115.05460	8.6
117.07029	20.7
119.04927	2.8
119.08595	56.5
121.06493	11.2
121.09404	4.1
121.10149	34.9
123.08076	17.5
123.11699	9.0
125.06009	4.2
125.09615	12.1
127.07543	2.9
128.06204	5.9
129.07008	10.9
131.04936	5.4
131.08589	36.2
133.06483	11.6
133.10139	38.2
135.08080	14.9
135.11696	13.8
137.09642	13.9
137.13208	2.9
139.07562	24.4
141.07027	5.6
142.07805	9.1
143.08586	32.4
144.09338	6.0
145.06485	10.8
145.10124	35.8
147.08061	11.6
147.11699	24.4
149.05989	3.2
149.09602	12.2
149.13277	10.2
151.07558	4.1
151.11180	4.5
154.07703	3.7
155.08617	14.3
156.09352	10.5
157.10141	47.1
158.10907	3.7
159.08105	17.7
159.11711	69.3
161.04747	3.4
161.05917	14.8
161.09642	11.4
161.13260	20.2
163.07547	12.6
163.11168	9.4
163.14865	5.4
165.06877	3.5
165.09106	5.1
167.08543	5.0
168.09315	3.8
169.10139	28.9
170.11002	5.8
171.08061	8.6
171.11697	44.7
173.09622	12.7
173.13254	23.2
175.11194	9.9
175.14803	8.0
177.09137	6.6
177.12738	8.8
179.07062	3.6
180.09286	3.1
181.10107	10.4
182.10974	6.8
183.08047	8.0
183.11711	51.3
185.09683	14.8
185.13239	39.1
187.07558	23.5
187.11176	11.4
187.14845	15.4
189.05389	4.1
189.09106	9.2
189.12772	6.8
191.14302	5.9
193.10083	8.6
194.10809	3.5
195.08055	3.8
195.11729	19.5
195.13336	3.4
196.12506	4.5
197.09563	7.7
197.13292	28.9
199.07584	6.2
199.11180	8.6
199.14851	26.8
201.09151	6.3
201.12830	14.9
201.16383	9.5
203.06975	4.9
203.14381	7.2
207.11702	11.1
208.12479	5.6
209.09494	3.5
209.13284	21.2
209.15167	4.8
210.13985	5.9
211.11287	5.3
211.14783	17.4
213.09163	7.5
213.12817	19.4
213.16420	10.7
215.07007	8.1
215.10646	4.0
215.14386	7.3
215.17953	7.1
217.08553	3.7
217.12337	3.7
217.15926	6.8
219.11687	6.7
220.12642	4.6
221.13303	6.8
222.14006	4.8
223.11244	4.6
223.14806	21.1
225.05470	4.6
225.09105	6.2
225.12762	7.6
225.16406	24.5
227.17874	12.4
229.12215	4.9
229.16071	4.0
231.06482	4.2
231.13832	5.9
231.17459	5.8
234.14021	3.1
235.14772	9.1
237.12646	3.9
237.16394	12.8
239.14188	3.9
239.17947	5.9
241.08597	7.9
241.15984	7.7
241.19508	4.7
243.09982	4.4
243.13857	5.1
243.17459	37.5
245.13295	4.3
247.09503	6.1
247.14784	4.7
249.16315	10.9
251.17863	10.1
253.15909	4.7
253.19539	5.2
255.17432	9.2
257.08090	16.0
259.09558	16.8
261.16180	5.4
261.18567	11.9
263.17993	4.1
265.19446	13.8
267.17661	4.7
267.20978	4.2
269.18973	6.9
275.09149	15.5
277.19351	5.1
279.21036	5.2
281.18851	6.9
282.13904	4.0
283.20511	8.3
291.21008	5.1
293.18945	4.1
293.22424	5.5
295.20422	4.3
297.22284	6.7
303.12186	13.8
307.24301	3.7
309.18802	3.5
309.22025	13.8
311.20398	4.1
311.23627	14.7
315.17120	4.2
319.11795	63.4
321.18622	4.6
321.22049	4.1
323.23645	7.9
325.21597	3.7
327.23218	15.8
329.24957	13.6
335.23730	3.9
337.25345	17.2
339.23071	3.3
343.16748	4.3
347.16425	7.2
349.25244	12.9
351.26779	4.1
353.24826	4.0
355.26392	17.2
361.17871	6.8
365.17499	6.8
367.26367	19.0
369.27982	9.6
381.28195	4.3
385.27417	6.5
389.17456	6.5
391.30090	4.8
395.25992	3.9
397.20276	3.4
399.28546	3.8
403.19003	5.8
403.29843	13.0
407.18460	4.0
409.31165	26.8
413.26926	100.0
421.19824	9.6
421.31039	18.6
427.17310	3.0
427.32483	26.2
439.21136	9.8
439.32074	39.8
445.29517	6.1
449.15594	4.0
457.18820	4.0
457.33121	7.2
463.17532	6.6
467.31531	15.0
481.18585	8.6
485.32730	45.4
499.18542	13.8
499.34277	6.7
517.21552	9.8
517.34991	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	517.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69975	2.5
53.03952	4.1
55.01863	7.8
55.05513	19.8
57.07061	3.7
58.53960	2.7
59.05004	18.6
67.05508	25.8
68.36607	2.8
69.03422	10.3
69.07073	15.9
71.04976	7.0
79.05503	23.7
79.92403	3.1
81.03406	10.0
81.07060	42.2
83.04967	12.9
83.08607	11.0
85.06548	7.1
91.05486	33.2
93.06556	4.2
93.07050	44.4
95.04992	20.6
95.08608	48.4
97.06542	20.9
97.10170	5.8
98.20714	6.4
99.08104	5.1
103.05447	4.1
105.04551	3.0
105.07043	57.5
107.04979	10.4
107.08604	43.6
109.06540	8.5
109.10162	26.5
111.08092	21.7
113.09641	7.0
115.05460	8.6
117.07029	20.7
119.04927	2.8
119.08595	56.5
121.06493	11.2
121.09404	4.1
121.10149	34.9
123.08076	17.5
123.11699	9.0
125.06009	4.2
125.09615	12.1
127.07543	2.9
128.06204	5.9
129.07008	10.9
131.04936	5.4
131.08589	36.2
133.06483	11.6
133.10139	38.2
135.08080	14.9
135.11696	13.8
137.09642	13.9
137.13208	2.9
139.07562	24.4
141.07027	5.6
142.07805	9.1
143.08586	32.4
144.09338	6.0
145.06485	10.8
145.10124	35.8
147.08061	11.6
147.11699	24.4
149.05989	3.2
149.09602	12.2
149.13277	10.2
151.07558	4.1
151.11180	4.5
154.07703	3.7
155.08617	14.3
156.09352	10.5
157.10141	47.1
158.10907	3.7
159.08105	17.7
159.11711	69.3
161.04747	3.4
161.05917	14.8
161.09642	11.4
161.13260	20.2
163.07547	12.6
163.11168	9.4
163.14865	5.4
165.06877	3.5
165.09106	5.1
167.08543	5.0
168.09315	3.8
169.10139	28.9
170.11002	5.8
171.08061	8.6
171.11697	44.7
173.09622	12.7
173.13254	23.2
175.11194	9.9
175.14803	8.0
177.09137	6.6
177.12738	8.8
179.07062	3.6
180.09286	3.1
181.10107	10.4
182.10974	6.8
183.08047	8.0
183.11711	51.3
185.09683	14.8
185.13239	39.1
187.07558	23.5
187.11176	11.4
187.14845	15.4
189.05389	4.1
189.09106	9.2
189.12772	6.8
191.14302	5.9
193.10083	8.6
194.10809	3.5
195.08055	3.8
195.11729	19.5
195.13336	3.4
196.12506	4.5
197.09563	7.7
197.13292	28.9
199.07584	6.2
199.11180	8.6
199.14851	26.8
201.09151	6.3
201.12830	14.9
201.16383	9.5
203.06975	4.9
203.14381	7.2
207.11702	11.1
208.12479	5.6
209.09494	3.5
209.13284	21.2
209.15167	4.8
210.13985	5.9
211.11287	5.3
211.14783	17.4
213.09163	7.5
213.12817	19.4
213.16420	10.7
215.07007	8.1
215.10646	4.0
215.14386	7.3
215.17953	7.1
217.08553	3.7
217.12337	3.7
217.15926	6.8
219.11687	6.7
220.12642	4.6
221.13303	6.8
222.14006	4.8
223.11244	4.6
223.14806	21.1
225.05470	4.6
225.09105	6.2
225.12762	7.6
225.16406	24.5
227.17874	12.4
229.12215	4.9
229.16071	4.0
231.06482	4.2
231.13832	5.9
231.17459	5.8
234.14021	3.1
235.14772	9.1
237.12646	3.9
237.16394	12.8
239.14188	3.9
239.17947	5.9
241.08597	7.9
241.15984	7.7
241.19508	4.7
243.09982	4.4
243.13857	5.1
243.17459	37.5
245.13295	4.3
247.09503	6.1
247.14784	4.7
249.16315	10.9
251.17863	10.1
253.15909	4.7
253.19539	5.2
255.17432	9.2
257.08090	16.0
259.09558	16.8
261.16180	5.4
261.18567	11.9
263.17993	4.1
265.19446	13.8
267.17661	4.7
267.20978	4.2
269.18973	6.9
275.09149	15.5
277.19351	5.1
279.21036	5.2
281.18851	6.9
282.13904	4.0
283.20511	8.3
291.21008	5.1
293.18945	4.1
293.22424	5.5
295.20422	4.3
297.22284	6.7
303.12186	13.8
307.24301	3.7
309.18802	3.5
309.22025	13.8
311.20398	4.1
311.23627	14.7
315.17120	4.2
319.11795	63.4
321.18622	4.6
321.22049	4.1
323.23645	7.9
325.21597	3.7
327.23218	15.8
329.24957	13.6
335.23730	3.9
337.25345	17.2
339.23071	3.3
343.16748	4.3
347.16425	7.2
349.25244	12.9
351.26779	4.1
353.24826	4.0
355.26392	17.2
361.17871	6.8
365.17499	6.8
367.26367	19.0
369.27982	9.6
381.28195	4.3
385.27417	6.5
389.17456	6.5
391.30090	4.8
395.25992	3.9
397.20276	3.4
399.28546	3.8
403.19003	5.8
403.29843	13.0
407.18460	4.0
409.31165	26.8
413.26926	100.0
421.19824	9.6
421.31039	18.6
427.17310	3.0
427.32483	26.2
439.21136	9.8
439.32074	39.8
445.29517	6.1
449.15594	4.0
457.18820	4.0
457.33121	7.2
463.17532	6.6
467.31531	15.0
481.18585	8.6
485.32730	45.4
499.18542	13.8
499.34277	6.7
517.21552	9.8
517.34991	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	517.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01861	1.7
55.05513	22.9
55.37856	1.4
57.07060	4.0
59.05007	9.6
67.05504	21.1
69.03425	6.6
69.07076	15.7
69.16930	8.7
69.17352	6.9
70.87837	1.6
71.04985	8.5
73.06564	1.8
74.72276	1.3
77.83779	1.4
79.05053	2.4
79.05491	24.3
81.07063	43.4
83.04979	7.2
83.08611	5.5
85.06532	5.4
87.08115	9.4
91.05482	32.4
93.06473	3.1
93.07045	47.6
95.04961	6.8
95.08611	57.0
97.06544	16.1
97.10159	3.2
99.08101	4.7
105.07037	54.9
107.08601	63.9
109.06544	7.7
109.10165	33.3
111.08088	21.7
113.09676	2.4
115.05442	3.0
115.07506	1.7
117.06999	12.4
119.08589	63.8
121.06505	6.4
121.09324	2.2
121.10155	40.1
123.08086	15.0
123.11720	10.2
125.09653	17.1
128.06227	6.7
129.07016	9.4
130.07776	2.2
131.04889	2.6
131.07005	5.1
131.08568	39.1
133.06483	4.8
133.10136	53.1
135.08051	7.3
135.11688	21.8
137.09616	10.3
137.13271	2.0
139.07574	10.1
141.06990	4.8
141.09059	2.6
142.07770	7.5
143.08569	33.3
144.09314	5.3
145.10130	64.5
147.08064	8.6
147.11690	38.8
149.09663	9.3
149.13240	11.0
151.11172	6.3
153.12769	2.0
155.08540	14.2
156.09334	8.4
157.10135	46.8
158.10910	2.8
159.08067	4.0
159.11702	70.7
159.13029	3.4
161.09627	11.3
161.13254	21.2
163.11176	11.5
163.14836	3.5
165.09166	1.7
165.12688	2.7
167.08618	4.7
168.09418	4.4
169.10141	24.0
170.10945	7.3
171.08116	1.8
171.11694	31.7
172.12538	2.7
173.09734	7.5
173.13284	33.1
175.11179	9.8
175.14822	10.0
177.09109	1.8
177.12819	7.2
177.16408	3.5
179.08548	3.5
179.14407	2.3
180.09315	2.6
181.10110	7.6
181.12231	1.7
182.10934	3.9
183.10237	2.7
183.11707	32.1
184.12514	2.6
185.09634	2.7
185.13269	56.2
187.11237	9.2
187.14835	31.7
189.12767	8.4
189.16389	7.4
191.10593	2.7
191.14342	7.1
193.10153	3.2
193.12192	2.5
194.10883	3.5
195.11710	14.3
196.12421	4.3
197.13271	24.8
198.14049	2.3
199.11137	3.3
199.14832	51.5
201.11081	1.4
201.12646	8.9
201.16370	18.5
203.14365	12.0
203.18010	3.1
205.12180	2.0
205.15923	8.4
206.10873	2.0
207.11705	7.4
207.13670	2.8
207.17429	1.5
208.12505	2.7
209.13261	15.2
210.14120	3.5
211.14830	19.5
212.15660	2.5
213.12769	4.1
213.16341	20.2
215.14355	12.0
215.17892	7.1
217.15886	16.4
219.11679	3.1
219.17426	2.4
221.13306	5.2
221.15324	2.0
222.14081	2.0
223.14841	18.5
223.16924	1.4
225.12984	2.0
225.16408	28.5
227.14293	5.9
227.17976	12.9
229.15965	9.2
231.17505	6.2
233.13246	3.3
233.15468	1.7
233.18979	1.5
235.14919	7.0
236.15433	1.7
237.16426	13.6
239.14349	2.6
239.17926	8.7
241.15883	6.1
241.19389	4.4
243.17464	24.2
245.15320	4.3
245.19200	2.4
249.16515	8.7
251.18042	11.2
253.15796	3.3
253.19585	7.4
255.17482	9.0
255.20949	1.4
257.19052	4.6
259.17029	2.6
261.16183	2.5
261.18561	8.6
263.18152	7.6
265.19513	15.6
267.17416	4.0
267.21115	4.8
269.19055	6.1
269.22287	1.6
271.17084	1.7
271.20547	4.1
275.17810	2.6
277.19363	4.2
279.17294	1.9
279.21014	4.6
281.18976	7.4
281.22412	3.2
283.20459	6.9
285.21973	2.1
289.19452	2.6
291.21005	6.5
293.19415	2.9
293.22592	13.2
295.20563	4.3
295.24075	3.2
297.22122	5.3
305.19232	1.7
305.22482	7.1
307.20612	3.0
307.24100	3.5
309.22156	18.5
311.20377	2.9
311.23703	15.3
319.24246	4.1
321.22165	3.6
321.25769	2.2
323.23785	11.2
325.25253	2.2
327.23239	12.9
329.24789	8.7
331.24350	3.1
333.25781	2.4
337.25214	17.3
339.26889	3.3
341.24802	2.4
349.25192	18.2
351.23083	2.3
351.26907	14.6
353.24591	4.1
355.22638	2.5
355.26419	19.5
363.27005	2.7
365.24701	3.0
367.26328	28.2
369.23868	3.2
369.27850	9.5
377.24716	5.0
379.30045	7.7
381.27777	2.5
383.25583	4.4
385.27359	8.1
387.29352	2.3
388.31433	1.7
391.30118	2.2
395.25790	5.2
403.29819	2.0
405.31491	2.9
409.31628	9.3
413.26889	100.0
414.27673	1.9
421.31250	9.7
423.32782	3.2
427.27588	3.0
427.32199	6.4
431.29065	2.6
437.30484	2.0
439.32172	13.2
445.29645	7.3
449.30350	10.7
455.31332	1.7
457.33115	5.7
467.31573	18.3
469.33224	3.1
481.33212	8.2
485.32648	69.6
499.34229	25.6
517.35425	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88322	1.6
53.03929	3.2
55.01876	2.9
55.05510	13.7
57.03422	4.8
57.07065	5.0
58.06583	6.0
67.05506	18.3
69.03424	4.2
69.07066	11.5
71.08639	3.5
79.05505	13.2
80.05013	1.8
81.03423	4.0
81.07063	27.9
83.04989	14.2
83.08608	4.8
84.05317	2.7
84.65500	1.7
91.05472	12.7
93.07052	22.3
95.04983	13.0
95.08605	22.2
97.06548	2.3
97.10164	3.0
99.08101	4.2
100.05051	2.1
105.03335	3.9
105.07035	17.8
107.04963	2.7
107.08582	19.0
109.06532	9.2
109.10169	12.8
111.08087	2.7
113.00021	90.8
117.07002	5.9
119.08582	18.9
121.06533	3.7
121.10143	16.5
123.08068	15.2
123.11725	3.2
124.03969	48.4
125.04306	14.0
129.06990	3.7
130.25452	1.9
131.08571	10.7
133.06459	2.7
133.10132	20.5
135.08072	14.6
135.11707	9.7
137.09674	2.8
142.07793	2.5
143.08551	6.0
145.06483	4.4
145.10150	13.3
146.10451	3.1
147.11676	9.8
149.09598	4.1
149.13246	2.1
155.08472	1.8
156.09341	2.1
157.10098	9.0
159.11673	7.1
161.13284	4.4
169.10120	8.3
171.11679	7.7
173.09572	2.1
173.13271	6.4
174.13728	2.5
175.11198	4.7
175.14795	7.7
177.12686	3.0
179.08565	3.0
179.14317	24.7
181.10143	4.6
183.11659	7.4
185.13255	7.1
186.13489	2.0
187.03668	10.6
187.11139	2.3
187.14801	6.1
189.16280	2.4
193.10156	4.7
195.08063	2.5
195.11693	6.6
197.09460	2.6
197.13264	4.1
199.14952	2.5
201.12523	2.5
203.14369	2.5
205.15878	6.5
206.10857	2.6
207.11702	4.6
209.13254	5.6
211.14816	2.9
213.12746	2.7
219.11722	2.1
221.13263	5.7
222.14037	2.7
223.11212	3.0
223.14798	5.0
225.12788	2.3
225.16417	4.3
227.14359	2.3
229.54456	2.0
233.13374	2.6
235.14833	3.3
237.16360	8.7
239.14319	3.9
251.17969	3.1
263.17743	2.1
265.19452	4.8
275.19809	1.9
287.14401	2.7
287.18118	2.3
289.15936	3.2
289.21677	2.8
291.17584	2.3
291.21194	4.0
302.16562	2.4
303.17212	2.7
303.26733	3.8
315.17413	2.9
316.18231	2.5
317.18845	4.6
329.19000	7.4
331.20468	3.6
331.26419	44.2
344.21457	9.9
349.21454	2.4
349.27893	2.5
359.23697	100.0
368.30197	3.5
377.24783	37.2
386.31354	6.8
387.28876	5.2
395.25656	9.7
405.29971	49.6
439.35632	4.1
440.36246	12.1
499.28180	5.5
499.39645	2.0
517.29401	21.8
517.40820	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	517.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.7
53.03945	3.4
55.01873	1.3
55.05517	4.6
57.03462	1.1
57.07080	1.5
59.04990	1.5
65.03943	2.1
67.05510	15.7
69.03430	1.1
69.07076	4.2
71.04993	1.6
74.14893	0.6
77.03949	1.4
77.49204	0.7
79.05496	29.3
81.03429	2.1
81.07062	92.8
83.04984	3.3
83.08624	3.2
85.06542	8.3
91.04904	0.7
91.05000	0.3
91.05482	17.1
93.07048	20.4
95.04966	6.7
95.08608	15.5
97.06507	3.2
97.10199	1.0
99.08091	5.3
103.05505	1.0
105.03401	41.4
105.04554	2.5
105.07040	22.0
107.04994	1.6
107.08600	24.2
109.06524	44.9
109.10168	11.9
111.04344	0.7
111.08093	2.1
113.00015	3.3
113.09640	0.9
115.05472	1.7
117.07037	6.5
119.08590	34.1
121.06530	2.1
121.10152	10.4
123.08079	11.0
123.11701	4.2
125.06001	0.7
125.09636	2.9
128.06258	2.7
129.07018	5.7
130.07799	1.2
131.08583	14.9
131.09514	1.3
132.12354	0.7
133.06529	1.6
133.10149	16.7
133.11089	1.3
135.04474	1.5
135.08072	13.2
135.11700	4.0
137.09621	7.2
141.07021	2.1
142.07761	4.6
143.08572	12.9
144.09398	1.7
145.06544	1.0
145.10133	18.8
147.08064	5.1
147.11705	11.7
149.09634	26.6
149.13240	2.2
151.07567	1.3
151.11244	3.0
152.04582	0.6
153.07042	1.0
153.09164	0.9
155.08531	6.2
156.09358	4.2
157.10136	26.7
158.10933	1.8
159.08101	1.8
159.11703	28.1
161.09654	4.6
161.13243	7.3
163.11194	5.2
163.14850	1.0
165.07066	1.1
165.12744	2.5
167.08614	2.4
168.09390	1.6
169.10112	8.8
170.10959	5.0
171.11699	16.2
173.09724	3.4
173.13257	8.8
175.11182	6.4
175.14868	2.1
177.12807	2.3
179.08676	1.0
179.10719	2.1
179.14337	2.6
181.10097	3.6
182.10957	2.1
183.11714	11.7
183.28531	0.7
184.12508	2.3
185.09631	2.2
185.11632	1.2
185.13280	18.8
185.14864	1.3
187.03682	0.7
187.11211	3.4
187.14819	12.8
189.12737	6.8
189.16418	1.0
191.10698	1.4
191.14336	2.7
193.10204	1.9
193.12289	7.9
195.11670	4.5
196.12456	1.6
197.13275	8.1
198.14098	0.8
199.11208	4.0
199.14882	4.5
199.34810	0.6
200.11943	0.7
201.12779	14.8
201.16415	4.6
203.14326	16.0
203.18051	1.7
205.10069	0.7
205.15906	0.7
206.11003	0.8
207.11787	2.3
208.12494	1.1
209.13274	4.3
210.14066	0.9
211.11299	1.5
211.14819	9.9
212.15608	2.5
213.12654	3.7
213.16405	2.0
214.13568	1.0
215.14349	4.6
215.17986	1.0
217.15921	2.5
219.11877	1.0
219.13814	1.7
221.13206	4.0
223.14845	3.7
225.12897	3.1
225.16377	8.6
226.17137	5.5
227.14313	2.8
227.17960	79.8
229.15903	5.8
231.17508	1.1
233.13336	1.0
234.14113	0.8
235.14908	2.1
236.15729	1.2
237.12737	0.9
237.16420	1.2
239.14316	2.3
241.15895	2.3
241.19431	1.1
243.13875	2.9
243.17494	9.1
244.18289	1.9
244.92061	0.7
245.13408	0.7
245.15443	2.0
245.19032	22.2
245.22665	1.5
247.14912	1.0
248.15775	0.9
249.16476	1.4
251.14171	0.9
251.17905	3.9
253.15865	0.8
255.17415	1.3
259.16992	2.1
259.20630	0.8
263.23691	2.0
265.15958	2.1
265.19653	0.8
267.17505	2.7
269.19019	19.8
271.17236	0.9
273.18631	1.1
278.16602	0.9
279.17621	1.0
281.18839	1.1
283.16962	0.8
285.18555	2.9
286.19131	0.7
287.20062	57.4
288.20834	0.8
291.17532	1.1
291.21091	2.1
293.19022	1.5
305.19046	0.8
307.20465	3.2
309.18695	1.0
309.22150	4.5
311.20358	0.7
323.23804	0.9
325.21600	1.3
331.26385	1.1
333.22171	2.9
335.19867	1.2
335.23697	13.5
337.27505	1.8
349.25342	2.2
351.23163	13.4
353.24762	9.0
359.23804	2.0
367.26593	0.9
377.24777	14.0
391.73969	0.7
395.25854	25.7
405.30069	3.3
409.23770	0.9
487.28244	1.1
499.28400	3.8
517.29529	100.0
518.30072	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.28
Annotation	Illicidione C
Peak:m/z	Relative Intensity
53.03945	5.2
55.05273	3.9
55.05515	66.6
67.05499	12.8
69.07053	8.0
71.05009	3.2
75.69292	2.8
79.05492	29.1
81.07063	51.1
83.04989	100.0
91.05490	25.7
93.07053	23.2
95.04954	7.9
95.08615	38.7
97.06517	5.8
105.07030	30.6
107.04967	13.5
107.08606	26.3
109.06519	27.2
109.10184	5.8
117.07014	4.3
119.08594	30.2
121.06517	4.1
121.10153	9.7
123.08048	6.1
128.06201	6.6
129.07018	8.2
131.08568	25.3
133.10143	26.1
135.08072	10.3
137.09613	5.3
141.07007	6.6
142.07790	11.7
143.08539	24.2
145.10136	17.0
147.08076	9.0
147.11682	3.8
149.09621	9.6
151.07541	3.4
154.07733	3.6
155.08554	12.4
156.09392	18.9
157.10132	37.6
159.08049	5.7
159.11716	21.0
161.09621	17.3
163.07588	3.4
163.11122	4.2
165.07057	5.7
167.08592	3.8
168.09348	4.2
169.10126	32.3
170.10922	12.3
171.08139	6.3
171.11703	80.4
173.09624	15.5
173.13269	5.5
175.11208	3.7
177.09213	4.2
179.08551	9.9
179.10693	10.1
181.10147	11.9
182.10904	3.4
183.11699	41.2
184.08798	3.8
184.12329	3.2
185.09622	11.7
185.13269	45.9
187.11200	12.8
187.14824	6.2
189.09067	5.5
189.12703	3.6
191.10701	7.8
192.09300	4.9
193.10173	10.1
194.10895	4.1
195.11684	22.3
196.12419	4.9
197.09669	6.7
197.13312	14.6
199.11214	16.1
199.14882	3.4
201.12756	5.0
203.08519	3.3
203.10667	6.6
205.10178	4.9
205.55609	3.0
206.10982	5.2
207.11789	16.2
208.12471	4.5
209.13301	21.0
211.11122	7.5
211.14732	3.6
213.12740	28.1
215.10663	9.8
215.14275	2.8
217.08493	4.8
217.10410	3.9
217.12207	13.3
219.11720	13.4
219.13809	3.8
220.12428	9.4
221.13327	17.4
223.11162	9.9
223.14856	11.5
225.12779	7.1
225.16451	3.9
227.10678	4.7
229.12193	18.2
231.11662	13.8
231.13766	44.9
232.12376	5.2
233.13222	11.4
234.14084	3.9
235.14821	12.6
236.15631	4.2
237.12778	8.0
237.16393	8.1
239.14285	3.1
241.12279	20.6
243.10120	21.8
243.13766	6.1
245.13286	7.9
246.14085	15.6
247.14806	12.9
249.16385	10.8
251.14262	4.4
251.15512	3.4
251.17931	27.3
253.12390	3.4
253.15839	3.4
255.13857	5.8
259.13116	17.7
260.15646	7.3
261.16550	37.6
262.17264	9.2
263.14352	4.0
263.18073	5.3
265.15652	3.7
265.19522	10.0
267.17676	4.2
275.12857	4.2
275.17966	17.9
277.14255	8.1
279.17480	18.5
281.15393	4.2
291.17441	7.4
293.18979	28.7
295.17120	4.2
295.20352	4.0
299.19839	3.0
303.17545	7.3
309.18481	8.3
311.20087	34.5
321.14731	4.3
321.18494	59.7
327.19565	3.8
337.17706	2.9
339.15518	4.3
339.19553	69.4
357.20676	33.1
381.20349	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	517.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12996	4.8
53.03941	10.3
55.05515	57.0
57.03440	7.9
65.03944	5.0
67.05501	20.9
69.03429	7.0
69.07069	15.8
72.08134	4.6
79.05496	39.9
81.03403	6.7
81.07059	60.6
83.04990	100.0
91.05488	34.9
93.07045	39.4
95.01325	43.5
95.04956	19.7
95.08606	55.4
97.02900	6.9
97.06541	10.5
98.20694	9.8
103.05460	7.1
105.07046	57.2
107.04939	14.9
107.08600	42.1
109.06528	38.6
109.10153	15.0
111.08082	5.2
115.05462	8.5
117.07026	16.7
119.08591	48.9
121.06513	14.7
121.10143	20.3
123.08073	13.5
128.06194	14.2
129.06984	11.5
129.36484	5.2
131.04889	6.5
131.08607	33.3
132.06575	4.8
133.06494	13.3
133.10123	41.2
135.08047	17.1
137.05878	8.7
137.09599	7.6
141.07016	10.6
142.07774	19.6
143.08595	37.0
145.06516	9.1
145.10136	34.2
147.08073	24.1
149.09630	11.2
153.01248	5.1
153.06886	7.5
155.08502	23.8
156.09430	24.3
157.10127	53.0
158.10808	4.8
159.08025	16.8
159.11674	29.4
161.05957	13.1
161.09639	24.9
163.07610	8.9
164.84242	4.9
165.06955	10.3
165.09134	4.9
167.08571	8.8
169.07693	5.3
169.10120	46.3
170.10902	19.4
171.08040	13.5
171.11707	86.8
173.09648	28.1
173.13252	18.5
175.07570	5.5
175.11145	8.3
177.09198	5.7
179.08559	10.5
179.10619	10.2
181.10139	16.7
183.11726	51.4
184.08806	7.5
185.09579	18.0
185.13284	48.5
187.11177	14.8
187.14815	5.5
189.12721	6.5
191.08537	7.1
191.10678	6.9
192.09372	5.5
193.10088	14.6
194.10849	10.3
195.11713	31.0
197.09526	10.0
197.13271	18.5
199.11197	28.9
200.11873	5.0
201.09122	6.7
201.12706	9.3
203.10687	7.6
205.10254	7.8
206.10858	8.5
207.11725	22.8
208.12526	7.4
209.09607	6.7
209.13348	26.6
211.14828	7.1
213.09222	6.8
213.12772	47.5
215.10687	17.8
217.10304	10.1
217.12277	18.2
219.11691	19.8
220.12581	7.0
221.13268	19.7
223.11009	10.5
223.14801	15.8
225.12691	6.2
225.16393	6.8
227.10675	8.9
227.14206	8.0
229.12210	22.0
231.11682	18.8
231.13799	51.1
232.12535	7.3
233.13287	15.8
234.13976	8.5
235.14803	13.8
236.15419	5.9
237.12646	11.8
237.16388	15.4
241.12248	18.6
243.10149	24.9
243.13879	11.9
245.13516	8.7
246.14003	18.4
247.14746	17.5
249.12695	10.7
249.16451	9.8
251.14334	7.2
251.18025	24.9
259.13141	25.5
260.15671	8.0
261.16476	48.9
262.17166	6.6
263.14401	8.1
263.17932	7.6
265.15796	5.8
265.19495	9.9
267.13940	9.8
267.17200	5.2
269.15329	5.3
275.17868	18.9
277.14310	13.3
279.13968	5.8
279.17435	21.7
281.18875	5.8
293.15927	5.4
293.19104	29.8
295.16644	6.5
297.12506	6.6
303.17282	12.2
309.18341	8.9
311.19971	28.0
321.18491	51.7
331.16934	12.3
339.19525	69.1
343.19119	8.7
347.20267	6.2
357.20380	20.5
359.16263	9.2
361.17917	5.8
375.19421	9.4
377.17215	10.1
379.19394	5.6
391.72562	5.4
395.18307	10.6
399.21414	6.4
403.18741	6.9
421.20020	20.2
439.20920	13.2
447.40210	5.6
499.22784	12.2
517.27997	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.7
55.02781	4.8
55.05516	37.6
56.81668	5.4
57.07108	6.4
58.61452	6.9
61.28018	5.0
65.03933	6.8
67.05506	25.9
69.03436	31.5
69.07061	24.1
69.35736	33.6
69.36163	15.4
71.01364	29.0
71.04993	8.1
75.99197	5.7
79.05502	28.2
80.18910	5.1
81.07062	55.8
81.33707	4.9
83.04996	37.9
83.08633	13.9
85.06524	7.9
86.15704	5.2
87.04488	13.5
88.28208	4.9
89.78144	6.1
91.05497	45.6
93.07066	38.4
94.60294	5.2
95.04982	11.2
95.08595	50.9
97.06530	16.3
99.04481	8.1
103.05467	5.3
105.07029	59.4
107.04940	8.9
107.08604	68.4
109.06533	24.7
109.10163	14.5
111.08099	8.9
113.05984	5.8
115.05474	9.9
117.07021	20.8
119.08596	94.0
121.10143	32.2
123.08131	8.2
123.11754	9.5
128.06229	13.0
129.07024	23.3
131.08585	44.4
133.10138	66.9
135.08116	12.4
135.11725	19.9
137.09633	7.5
139.07568	8.1
141.06978	13.0
142.07814	19.9
143.08571	65.2
145.06488	5.4
145.10135	74.1
147.08070	14.0
147.11690	32.6
149.09660	10.8
149.13229	5.4
151.07558	5.9
152.77425	5.2
153.07059	5.7
154.07755	8.9
155.08554	37.6
156.09360	25.4
157.10146	84.8
158.10989	5.5
159.08055	15.9
159.11691	65.5
161.09685	13.0
161.13246	14.3
163.11301	6.5
165.06989	8.1
165.09076	6.7
166.07933	6.7
167.08551	28.1
168.09387	11.0
169.10155	71.1
170.10902	16.5
171.08112	7.6
171.11696	89.4
173.09660	17.1
173.13254	30.5
175.07501	5.9
175.11288	9.9
175.14902	6.7
175.90828	5.4
177.09081	6.9
179.08623	21.5
179.10634	9.0
180.09387	17.4
181.10143	48.1
182.10945	16.3
183.11726	66.2
185.08084	6.5
185.09608	8.7
185.13292	53.6
186.96098	6.4
187.11230	11.4
187.14815	15.2
189.09157	14.1
191.08640	9.2
191.10574	12.0
192.09338	7.3
193.10182	41.9
194.10884	15.3
195.11711	73.2
196.12488	17.4
197.13278	59.6
198.14014	7.2
199.11243	19.4
199.14784	25.1
201.12671	5.9
203.08672	7.0
203.10657	7.1
205.10161	19.7
205.12114	5.8
206.10963	22.9
207.10123	7.9
207.11758	54.6
208.12491	16.3
209.13292	66.6
210.14056	11.8
211.11227	11.7
211.14859	49.9
212.15526	5.5
213.12814	13.9
213.16302	9.5
215.10806	6.0
215.14388	8.9
217.10242	7.8
217.12282	15.3
219.11749	44.7
219.13661	9.6
220.12578	25.8
221.09810	7.4
221.13293	73.9
222.14035	14.7
223.11345	5.8
223.14893	57.9
225.12851	13.3
225.16444	12.6
227.14330	5.8
229.12251	10.0
231.11694	17.6
231.13849	20.9
231.58931	5.6
232.12584	10.5
233.13397	35.6
233.15399	9.3
234.14107	16.0
235.11304	9.3
235.14903	54.6
236.15681	11.4
237.12918	7.7
237.16309	38.8
238.17052	8.2
239.17975	14.2
241.12239	16.4
243.13904	7.9
245.13219	14.6
246.14111	10.7
247.14995	34.0
248.15640	15.4
249.12691	8.5
249.16544	33.1
250.17220	8.7
251.14310	13.7
251.18042	18.3
253.12222	9.5
253.19539	11.7
255.13849	14.6
257.15503	9.7
259.13071	8.7
261.16544	27.6
262.17218	8.0
263.14453	11.3
263.17978	29.9
264.18781	7.0
265.15823	7.2
265.19559	20.5
267.13812	8.7
269.15479	8.2
271.13098	7.1
275.18063	14.1
277.19437	9.6
279.14194	7.9
279.17645	11.8
281.15396	18.1
281.18735	5.4
283.17035	19.3
289.19415	7.7
291.17450	20.9
293.15546	9.5
293.19077	6.8
293.22705	7.0
295.16977	6.9
305.19028	17.7
307.17065	9.9
307.20575	13.7
308.17725	6.3
309.14917	8.6
309.18445	13.2
311.16391	18.1
311.19861	9.6
313.18042	7.8
317.13910	6.6
319.16840	5.8
319.20547	7.4
321.18604	11.0
323.16687	7.1
323.20224	27.9
325.17978	18.6
325.21652	57.3
327.19476	11.4
331.20334	8.8
333.18515	7.9
333.22174	10.6
337.18085	21.8
339.19565	23.8
343.22809	11.5
347.23587	7.5
351.19461	10.6
351.23297	9.3
357.20935	8.8
367.22568	7.8
368.23547	7.1
369.24384	12.1
375.23157	20.6
379.18579	10.9
379.23013	31.8
381.24222	6.4
393.24271	28.0
397.19873	16.9
397.24188	11.3
409.23611	11.6
411.25232	20.1
419.08701	6.4
421.24054	27.4
427.24963	54.3
439.24860	100.0
457.25974	77.8
499.26996	29.6
499.33401	7.1
517.27417	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	517.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10161	4.0
53.03944	5.3
55.01859	13.3
55.05520	36.6
65.03930	4.5
67.05513	30.9
69.03423	15.3
69.07065	24.0
71.04981	4.7
71.56345	6.7
78.86063	4.7
79.05503	35.2
81.03410	18.7
81.07072	43.5
83.04993	36.4
83.08603	10.3
84.80515	4.2
85.02896	12.7
85.06522	7.9
91.05488	39.7
93.07069	37.9
95.04985	41.6
95.08624	29.9
97.06519	13.5
100.11247	15.9
103.05461	10.2
105.07038	74.8
107.04942	16.9
107.08604	38.2
109.06547	25.3
109.10157	24.5
111.04437	9.4
111.08096	9.4
113.09666	10.8
115.05457	16.5
117.07018	18.5
119.08581	59.2
121.06499	17.4
121.10146	27.7
122.19966	4.3
123.08049	15.5
123.11729	8.6
125.05994	7.1
125.09623	6.8
126.05491	4.6
127.03905	11.8
128.06219	17.4
129.07007	13.5
130.07765	5.1
131.04938	5.5
131.08600	40.4
133.06519	27.2
133.10147	40.4
135.04440	6.0
135.08060	23.4
135.11655	12.8
137.05995	12.4
137.09613	16.8
141.07022	6.5
142.07851	20.4
143.08565	40.3
145.06496	14.9
145.10147	38.4
147.08095	20.6
147.11690	16.3
149.05994	7.7
149.09653	24.9
151.07516	7.5
154.07790	9.2
155.08597	22.1
156.09366	27.4
157.10129	49.7
159.08101	21.4
159.11731	28.5
161.05997	38.9
161.09619	23.7
161.13292	7.0
163.07515	20.0
163.11163	7.4
165.06955	11.0
165.09137	5.1
167.08534	8.6
168.09348	6.1
169.06371	4.8
169.10178	31.2
170.10880	12.8
171.08061	37.2
171.11697	64.6
172.08768	6.5
173.09621	27.0
173.13246	21.3
175.07532	9.4
175.11183	8.2
177.09116	11.6
179.07025	14.1
179.08492	6.3
179.10762	5.4
181.10123	15.3
182.15408	6.3
183.08160	6.8
183.11713	60.5
183.13275	7.5
184.08858	8.9
185.09660	23.2
185.13300	45.4
187.07603	6.9
187.11203	18.0
187.14838	8.2
189.05476	11.6
189.09120	7.6
189.12698	8.7
191.08533	7.1
191.10638	6.1
193.10159	11.0
194.11015	7.6
195.11774	24.1
195.13376	6.0
197.09612	18.2
197.13242	14.2
198.10432	8.6
199.11197	49.2
199.14767	10.9
200.11948	12.5
201.09076	11.7
201.12732	10.6
203.10585	7.3
205.10170	5.7
205.12080	4.7
207.11661	17.6
208.12418	8.1
209.09732	7.4
209.13249	15.7
210.14824	4.9
211.11183	13.2
211.14777	10.5
213.09209	10.3
213.12761	93.6
215.10770	10.8
215.14357	12.3
217.08574	52.3
217.12085	20.4
220.12424	5.9
221.13354	10.1
223.11191	9.2
223.14825	17.3
225.09094	8.3
225.16370	12.1
227.10628	10.3
229.12234	10.7
231.13776	31.7
233.13426	5.6
233.15408	8.5
235.14906	9.2
236.12137	5.4
237.12697	9.5
237.16486	6.0
239.10786	6.9
239.14325	5.3
241.12239	20.2
243.10182	12.3
243.13855	7.2
246.13918	5.5
247.14888	5.9
249.08923	6.3
249.16391	6.4
251.17989	13.2
259.13303	100.0
261.16440	8.9
263.14270	6.6
267.17569	5.2
275.18088	5.8
277.14301	39.6
289.15701	5.1
291.21005	6.4
293.18826	7.8
303.12115	22.2
309.22119	14.5
311.20093	10.1
319.26364	7.5
321.18423	16.6
327.23184	32.6
333.18497	8.5
339.19537	10.8
343.16821	13.4
361.18005	9.4
375.19690	10.8
377.17487	8.7
393.20514	9.1
395.18643	13.1
403.19064	18.2
405.16968	5.5
411.21600	5.9
421.20279	33.8
431.29440	10.2
437.30453	10.0
439.21384	34.2
449.30405	17.6
457.22073	15.3
467.31573	22.7
481.18280	10.6
495.37167	8.1
499.23273	20.9
517.19806	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.05507	6.3
60.86892	1.6
67.05508	5.4
69.03436	3.3
69.07066	10.7
71.20652	4.0
79.05498	6.4
81.07051	5.9
83.04983	11.2
91.05463	11.6
92.43437	1.7
93.07055	9.3
95.04964	8.2
95.08602	4.8
97.06522	2.5
103.05466	43.8
105.07030	12.8
107.04893	2.3
107.08559	9.0
109.06524	4.6
109.10178	2.3
115.05437	2.0
117.07034	5.4
119.08592	19.5
121.06507	3.8
121.10157	5.2
128.06171	6.1
129.07027	5.2
130.07774	2.3
131.04927	90.9
131.08568	8.5
133.06491	6.1
133.10130	14.4
134.62827	1.8
135.08025	4.5
141.06953	3.2
142.07770	5.5
143.08554	19.9
144.09251	2.3
145.06454	8.8
145.10074	11.9
147.08026	5.2
147.11691	5.6
149.09633	4.7
151.07541	2.7
153.07004	2.5
154.06363	1.9
155.08545	9.3
156.09328	8.4
157.10126	21.7
159.08072	11.3
159.11685	30.4
161.05991	6.5
161.09639	7.9
161.13322	4.3
163.07544	4.5
167.08585	3.1
168.09373	2.5
169.10094	9.1
170.10867	11.2
171.08022	21.0
171.11685	30.4
172.08882	3.1
173.09631	14.7
173.13275	5.8
175.07507	3.5
175.11287	2.3
179.08534	2.0
180.09270	2.9
181.10088	2.1
183.08057	6.5
183.11682	21.5
184.08844	4.4
185.09625	6.5
185.13254	31.3
187.07535	2.4
187.11218	15.8
189.09233	2.5
189.12741	4.7
191.10789	2.0
195.11705	8.7
197.09624	2.3
197.13264	4.9
198.10382	6.1
199.07571	3.3
199.11201	12.6
200.11952	3.0
201.12769	8.4
203.14276	4.0
204.09572	2.3
209.13193	2.9
211.11305	3.4
211.15041	1.7
213.12737	100.0
215.10707	2.5
217.12219	4.3
219.13869	2.0
221.13377	2.3
223.11113	2.3
223.14787	2.6
225.12830	2.7
229.12273	8.1
231.10153	13.5
231.13759	20.1
232.14291	2.3
235.14784	2.0
237.12926	2.9
241.12210	4.4
241.32718	2.0
243.13744	3.0
245.13251	2.7
245.15422	6.0
247.13301	2.3
249.16330	2.9
251.14247	2.1
253.11983	2.0
255.13849	4.0
258.13986	2.8
259.13358	6.3
260.15631	2.1
261.14862	2.0
271.14893	2.4
273.14838	82.8
291.15875	16.4
303.17520	2.7
305.15350	3.1
309.16953	3.8
331.16968	2.8
333.18665	2.1
343.16809	2.9
351.18018	7.8
357.18524	6.9
361.18060	3.0
375.19473	5.1
385.17899	4.4
391.18890	2.6
393.20551	3.4
403.19193	11.6
421.20270	14.1
439.20895	8.4
481.22067	2.0
499.23358	14.7
517.25482	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.207
Annotation	(2'E,8R)-2',3'-Didehydro-2'-deoxy-4',8-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
53.03938	2.9
54.09870	0.7
55.01878	6.9
55.05525	4.1
65.03933	2.1
67.05511	6.1
69.03417	4.0
69.07069	1.0
71.56030	1.3
73.85921	0.9
77.03951	1.4
79.05063	1.3
79.05492	11.8
81.03425	9.7
81.07059	6.3
83.01376	0.9
83.04988	6.7
85.02892	2.4
89.96600	0.8
91.05482	11.3
93.07042	7.7
95.01333	3.3
95.04981	14.8
95.08591	5.6
97.02886	3.7
97.06535	1.8
103.03920	1.9
103.05469	5.3
105.07037	31.2
107.04959	6.9
107.08591	3.4
109.02876	1.3
109.06518	8.4
111.04454	2.1
115.05439	8.2
116.06248	1.1
117.07018	7.7
119.04942	3.6
119.08588	8.9
121.02831	2.0
121.06525	6.9
121.10117	1.1
123.04409	2.6
123.08081	4.5
125.06005	2.9
127.05540	1.0
128.06241	5.3
129.07010	7.4
130.07751	1.3
131.04945	3.7
131.08549	9.9
133.06502	39.0
133.10155	4.7
135.04416	5.4
135.08076	5.5
137.05978	6.9
141.06972	5.8
142.07791	6.7
143.08569	18.6
144.09360	1.5
145.06488	15.3
145.10139	10.2
146.07219	2.1
147.04431	2.9
147.08061	10.6
147.11685	1.8
149.06013	4.9
149.09604	1.5
151.07565	3.7
153.05615	1.0
153.07013	3.1
154.07793	2.4
155.08563	8.4
156.09358	10.7
157.06480	2.8
157.10141	18.0
158.07295	5.8
159.08073	12.1
159.11681	7.9
160.08835	1.3
161.05989	34.6
161.09570	5.5
161.13298	1.3
162.06746	1.8
163.07542	8.3
165.05533	2.1
165.07014	2.9
166.07771	2.7
167.08575	3.3
169.06441	4.0
169.10144	10.7
170.07234	1.7
170.10941	2.9
171.08049	9.4
171.11676	18.1
172.08881	2.1
173.06021	1.7
173.09628	15.9
173.13286	2.3
175.07555	3.4
175.11105	1.9
177.05467	2.9
177.09132	2.1
178.07814	1.1
179.07056	5.4
179.08562	3.5
180.09340	1.3
181.06477	1.1
181.08742	1.0
181.10095	5.5
182.07283	2.4
183.08057	9.4
183.11638	4.8
184.08850	7.3
185.06046	2.1
185.09615	11.0
185.13153	4.4
186.10403	1.2
187.07500	5.6
187.11211	6.9
189.05484	1.2
189.09074	5.0
189.12721	3.4
191.08627	1.2
192.09364	1.8
193.10133	3.5
194.10898	0.9
195.08069	3.3
195.11722	3.9
196.02463	0.9
196.08820	1.7
197.05988	1.4
197.09615	12.5
197.13336	2.4
198.10460	2.1
198.96985	0.9
199.07523	3.9
199.11189	38.8
200.11922	1.2
201.09132	5.8
201.12727	2.7
203.07036	2.5
203.08859	1.1
203.10689	3.2
205.08549	1.8
207.08105	2.0
207.11716	2.6
208.08862	1.4
209.09720	4.6
209.13258	2.1
211.07500	5.5
211.11192	5.4
213.09129	8.6
213.12671	6.2
214.09929	0.8
215.07014	2.2
215.10690	10.0
215.14511	0.9
216.09445	1.4
217.08661	2.5
217.10254	1.9
217.12224	24.9
219.08252	1.3
219.11772	2.2
220.08849	1.0
221.09705	2.4
221.13344	1.8
222.10439	1.8
223.07576	2.6
223.11200	3.9
225.09076	9.3
225.12756	3.4
227.10681	5.0
229.08574	2.2
229.12315	3.4
231.10109	2.7
231.11980	1.4
231.13826	2.7
233.09732	1.7
233.11736	2.4
234.10493	1.1
235.11168	3.0
237.09164	1.5
237.12744	1.1
239.07037	1.4
239.10718	2.9
241.08580	4.5
241.12222	2.0
243.10094	12.4
245.11682	1.7
248.12141	1.1
249.09123	3.7
249.12778	1.6
251.10812	2.2
251.14278	1.8
253.08423	1.2
253.12262	2.6
255.10194	3.9
257.07925	1.7
257.11835	3.9
259.09476	4.2
260.11923	1.4
261.11182	1.7
261.16568	1.4
263.10818	1.4
263.14343	1.2
265.12347	2.0
267.10184	2.0
271.09702	6.6
271.13211	1.3
273.11371	2.4
273.15015	2.3
275.10022	1.3
275.12595	5.2
279.14023	1.0
279.17480	1.1
281.11841	2.6
285.11273	1.0
287.14453	1.3
289.11166	1.2
289.15860	1.7
291.12283	1.9
293.15396	1.3
297.11636	1.0
299.13480	1.0
301.11002	2.9
301.15652	1.3
303.12256	27.4
303.17307	1.2
305.15582	2.0
307.13284	1.0
307.16870	1.2
309.11252	2.0
313.12296	1.8
315.13818	1.6
317.15359	3.1
319.11710	10.7
319.17007	1.5
321.13367	5.9
321.18542	3.0
327.13651	1.2
328.14648	1.1
329.15369	1.2
331.12930	1.5
331.16946	2.5
337.12811	2.2
339.19400	2.1
345.14734	3.4
347.11481	0.9
347.16382	2.4
349.17999	1.3
355.13220	1.9
357.14545	2.0
359.12515	1.3
359.16428	2.9
365.17410	1.5
371.12936	0.9
373.14407	4.8
375.15787	1.9
377.17432	2.8
385.14276	2.2
387.15933	2.4
391.15448	3.3
393.16653	1.1
395.18680	6.5
401.13730	2.0
403.15338	3.7
405.17041	6.2
407.14664	1.6
413.14688	1.0
413.19522	5.6
415.15424	1.6
417.16977	1.0
419.14893	1.8
421.16336	5.0
423.18152	1.4
431.15247	2.4
433.16483	6.6
435.17960	3.4
439.17203	4.6
445.16168	2.1
449.15915	4.3
451.17496	6.3
453.19186	2.6
457.18405	6.6
463.17435	6.5
467.17099	3.3
469.18735	8.4
481.18692	19.5
485.18054	1.2
487.19888	2.3
499.19626	15.5
517.20685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.01873	2.6
55.05308	1.2
55.05514	13.9
57.03423	5.0
65.03949	1.6
67.05510	45.5
69.03419	2.3
69.07069	14.1
71.04991	2.1
71.55219	1.8
79.05498	40.8
79.64630	1.3
81.03419	2.4
81.07067	31.8
83.04993	6.0
83.08617	5.6
85.06547	2.4
91.05481	21.6
93.06472	2.5
93.07053	47.8
93.96451	1.4
95.04960	3.1
95.08610	21.7
97.06533	7.0
97.10173	5.7
99.95786	1.2
105.04537	1.8
105.07037	14.8
107.08604	27.5
109.10156	9.3
117.07038	8.4
119.08582	11.6
121.10150	11.8
123.11687	1.6
125.09657	1.2
129.07019	2.3
131.08574	10.0
133.09239	1.6
133.10120	7.5
135.08015	1.6
135.11705	30.3
137.09650	1.7
143.08546	3.6
145.10124	11.0
147.11673	5.1
149.13269	3.5
153.12796	2.5
157.10129	3.7
159.11697	7.0
161.13297	3.1
163.11186	4.2
163.14786	1.6
169.10127	2.6
171.11745	3.4
173.13344	4.4
177.05417	1.5
181.12250	4.8
184.22118	1.7
187.14780	3.1
189.16522	1.4
199.14896	2.1
203.07118	3.6
209.13145	1.4
211.14890	1.6
223.14873	1.4
261.22195	4.5
299.23514	1.5
316.91434	1.3
317.24927	1.6
379.11783	2.0
392.08496	1.3
405.31604	1.6
423.32529	4.2
441.33548	2.3
497.36206	3.5
515.24609	4.3
515.37372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74202	0.5
52.28141	0.6
53.03936	1.9
54.04173	0.5
55.01860	2.3
55.05511	2.1
57.03431	1.6
57.07077	0.9
61.02912	2.2
65.03932	1.1
67.05510	4.1
69.03428	11.2
69.07055	2.6
70.06569	0.7
71.04978	1.6
71.55701	0.7
73.02903	1.2
77.03911	0.7
79.05491	6.1
81.03048	0.6
81.03427	5.7
81.07061	14.5
83.04984	1.7
83.08609	1.3
84.04481	0.9
85.02906	30.8
85.06535	0.7
87.00837	15.0
87.04459	1.3
91.05482	9.1
93.07043	12.6
95.04980	3.2
95.05467	0.6
95.08609	12.2
96.87531	0.6
97.02285	0.8
97.02893	11.8
97.06550	1.6
99.04454	4.4
103.05482	1.3
105.01872	36.1
105.04497	0.7
105.07031	18.1
107.04958	1.3
107.08590	9.7
109.02880	8.5
109.06517	1.5
109.10149	2.4
111.08061	1.5
113.06031	0.7
115.05460	1.0
117.07018	10.3
119.04954	0.8
119.07802	1.0
119.08585	13.4
121.06513	2.4
121.10143	5.5
123.08089	1.4
125.05936	0.8
125.09584	0.7
127.03926	20.9
128.06172	0.7
129.06976	1.4
130.07893	1.1
131.04918	1.8
131.08577	16.3
133.06520	1.6
133.10141	8.4
135.08061	2.2
135.11693	1.1
137.05959	1.9
137.09598	0.7
139.07573	1.1
141.06990	1.0
141.08943	0.6
142.07751	1.2
143.08549	2.6
144.09325	1.8
145.03888	1.2
145.04962	11.4
145.06258	1.0
145.08575	1.0
145.08813	1.2
145.10132	22.8
145.11287	1.1
147.04366	0.7
147.08052	1.0
147.11700	4.4
149.05930	0.6
149.09612	0.9
151.07591	3.2
153.09047	0.8
155.08514	1.7
157.10126	4.1
158.10765	1.1
159.02879	2.2
159.08124	2.8
159.11694	41.4
161.09642	1.4
161.13260	2.7
163.07545	2.4
163.11166	1.2
167.08690	0.7
169.10132	1.9
171.11696	1.1
172.12306	0.6
173.09645	3.8
173.13281	1.9
175.11153	1.3
177.09126	4.4
177.12880	1.2
182.10881	1.1
183.11739	0.9
185.09720	0.7
185.13181	1.0
187.14825	37.0
189.03929	1.0
189.16386	0.9
191.10689	1.4
197.13222	4.2
199.11250	0.9
201.12685	0.7
205.15889	2.4
209.13112	0.6
213.04033	1.4
213.12758	0.8
215.14317	17.5
231.05019	11.0
231.13750	1.2
233.15370	100.0
249.06081	10.6
251.16368	0.7
257.15268	0.8
284.09805	2.3
299.23566	0.8
300.70132	0.7
332.20395	0.7
364.19797	0.6
438.19946	1.1
442.56097	0.7
445.18198	0.7
463.19623	3.9
516.22955	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	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.7
53.23809	2.5
55.01878	5.6
55.05518	17.5
57.03437	5.7
57.07082	4.7
61.02934	4.3
65.03931	2.4
67.05510	93.1
69.03430	5.3
69.07069	18.3
71.04985	5.5
71.08644	2.7
71.55010	4.5
73.02926	2.5
74.46257	2.2
75.89580	1.8
77.80804	2.4
79.05499	63.4
81.03429	7.2
81.07065	100.0
83.05019	4.4
83.08627	9.7
85.02894	5.0
85.06550	3.2
91.03954	2.7
91.05491	44.5
93.07054	81.3
93.42210	2.5
95.04971	9.3
95.08616	75.2
97.02867	3.8
97.06541	8.2
97.10181	6.1
99.08104	4.0
105.07044	36.6
107.04943	3.1
107.08604	54.8
109.06522	5.4
109.10162	37.3
111.08074	3.8
117.07048	16.9
119.08589	33.0
121.06557	3.2
121.10152	41.3
123.08039	4.2
123.11703	20.7
128.06258	2.8
129.06995	8.6
131.04958	2.2
131.08571	35.4
133.10129	27.6
135.11697	35.6
137.13258	7.5
139.11197	3.5
143.08580	9.5
145.06505	4.2
145.10127	27.3
147.08081	17.5
147.11687	14.4
149.13275	24.9
151.11209	3.4
155.08545	5.6
156.09430	3.4
157.10147	7.2
159.08136	4.8
159.11710	27.0
161.09656	6.6
161.13275	18.2
163.07518	5.2
163.11218	4.4
163.14864	16.4
165.12799	5.6
171.08092	2.8
171.11647	11.9
173.09659	5.9
173.13280	21.3
175.14862	6.4
177.12668	2.8
177.16423	5.8
179.14301	4.5
181.10143	2.8
183.11717	6.3
185.09608	3.6
185.13286	8.3
187.11244	3.8
187.14879	12.5
191.14449	3.0
195.11766	4.7
197.13295	3.0
199.11284	4.1
199.14876	2.9
199.36108	2.0
201.12799	3.9
201.16380	5.3
213.12721	6.3
223.14984	3.8
233.22655	4.8
243.21069	28.4
245.15350	5.1
261.22159	93.6
273.14877	3.5
303.23309	4.2
335.25815	16.2
353.26965	19.1
369.24316	4.8
387.25665	3.4
405.26221	5.3
419.22382	3.4
419.27908	4.4
437.23407	2.9
468.15771	2.2
479.29932	3.2
497.31174	3.8
515.37494	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97164	5.5
55.01872	6.1
55.05505	22.8
57.03428	6.4
67.05505	83.4
69.03434	6.3
69.07063	18.5
71.04980	6.1
78.42622	5.0
79.05494	48.1
79.30547	5.5
81.03412	10.0
81.07063	100.0
83.04970	9.9
83.08607	10.7
85.02888	11.1
87.96912	6.0
91.05483	36.2
93.07049	63.4
95.04978	8.9
95.08607	79.0
97.06476	9.9
99.08078	6.3
103.04008	5.8
105.07042	36.4
107.04908	8.6
107.08575	39.8
109.06523	14.0
109.10161	36.3
117.07005	14.9
119.08596	38.9
121.06423	6.6
121.10139	23.2
123.11709	15.7
128.52623	5.1
129.07144	6.5
131.08585	29.1
133.10156	30.0
135.08115	5.7
135.11679	22.7
137.09587	11.4
137.13184	7.0
143.08492	8.9
145.10120	20.9
147.11667	22.0
149.13252	18.5
155.40419	5.6
157.10135	7.8
159.11694	20.9
161.13216	13.9
163.14917	11.6
169.10135	6.4
171.11723	9.3
173.13248	17.7
179.68752	4.8
185.13327	10.4
187.14838	11.1
197.13269	6.0
201.16292	6.4
213.12814	5.9
240.25038	5.9
243.21024	20.4
261.22150	51.1
303.23154	10.1
335.25717	20.4
345.24466	7.2
353.26852	22.5
369.24368	9.0
416.85431	5.8
438.12909	5.1
461.28946	9.8
479.31216	15.0
497.32074	31.2
502.63861	5.9
535.46393	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62544	4.1
55.93847	4.1
57.03437	8.1
61.02921	5.5
66.26614	3.7
67.05494	17.9
69.03418	17.3
69.07085	7.0
69.60201	14.8
69.60632	9.9
76.93581	3.9
79.05502	19.6
81.03423	44.3
81.07063	32.4
83.05013	5.4
83.08616	10.9
85.02910	52.6
91.05484	20.1
93.07047	43.2
95.04963	16.9
95.08615	42.8
96.05291	5.6
97.02904	10.7
97.06534	5.5
99.04470	6.2
105.07030	31.7
107.04939	12.4
107.08598	31.6
109.02891	9.8
109.10166	16.5
111.08150	6.3
117.07010	10.9
119.08603	37.1
121.06517	5.7
121.10136	22.8
123.08082	11.8
123.11727	5.3
127.03898	14.2
128.06241	8.0
129.07007	8.0
131.08582	24.2
132.07924	4.4
133.10159	27.1
135.11688	15.3
137.06032	5.0
143.08560	9.8
145.02863	4.3
145.04955	9.5
145.10135	20.9
147.11700	22.2
149.09592	21.2
149.13274	10.9
157.10146	15.9
159.11697	18.9
161.09654	9.1
161.13293	14.6
167.07034	4.0
167.10619	9.6
169.10069	6.2
171.11703	7.9
173.13254	8.7
175.14830	9.0
177.05496	7.1
183.11882	4.4
185.13266	8.0
187.07686	5.4
187.14836	10.0
189.16409	22.8
193.12306	20.9
194.12529	24.9
199.14828	10.4
201.16350	6.8
203.14355	5.6
213.16365	10.2
215.42542	4.5
231.04884	4.5
231.17479	6.1
233.13457	4.3
251.14500	4.4
255.21100	37.1
267.15875	10.1
268.16254	15.2
273.22168	98.1
281.22647	30.8
285.17142	19.7
286.17343	35.3
299.23712	59.7
317.24744	100.0
335.25821	24.3
364.23694	4.1
374.14340	6.3
419.18607	16.8
437.19437	6.1
515.21558	29.0
525.05457	4.4
544.82001	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	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	7.1
55.05512	24.6
57.03436	9.4
57.07062	7.0
61.02928	8.8
67.05506	97.8
69.03453	15.6
69.07069	26.6
71.04996	7.8
71.55387	8.4
79.05499	69.4
81.03413	23.7
81.07068	100.0
83.08630	13.7
83.28981	6.6
85.02903	7.6
89.72727	7.0
91.05482	55.9
93.07047	88.0
95.04984	21.5
95.08615	89.4
97.02892	6.9
97.06542	9.3
105.07039	53.9
107.08597	61.0
109.10164	70.5
110.03307	6.5
115.05472	6.0
116.11212	6.4
117.07039	28.3
119.08582	61.7
121.06472	6.5
121.10172	45.8
123.08089	7.2
123.11739	15.9
129.07016	17.6
130.07814	6.4
131.08577	46.4
133.06427	8.8
133.10135	48.1
135.08168	6.4
135.11659	31.9
137.09642	18.6
143.08563	21.6
145.10118	46.8
147.08069	28.9
147.11678	25.6
149.09647	12.7
149.13281	21.1
155.08525	6.8
157.10132	20.3
159.11711	28.1
161.09624	12.2
161.13257	19.2
163.07632	7.0
163.14853	13.5
169.10120	13.5
171.11665	19.8
173.09645	11.2
173.13260	31.4
175.14861	7.6
177.16440	13.0
183.11755	10.9
185.13254	20.1
187.14839	17.1
189.12897	7.8
199.14816	6.9
201.16412	14.3
206.34291	6.3
209.13342	7.4
216.01309	6.4
229.74423	6.9
231.13832	7.9
239.68887	7.8
243.21120	26.2
259.20709	6.6
261.22202	68.9
283.99274	6.1
293.92670	7.5
303.09860	7.0
303.13754	8.7
335.25861	10.6
345.24365	10.5
353.26843	21.8
387.25012	10.2
461.29086	9.6
479.30695	11.1
497.32581	45.6
515.22766	9.9
515.33667	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	515.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.0
56.77089	1.2
57.03433	2.2
57.07080	56.3
59.04992	2.0
66.39740	1.0
67.05498	3.9
69.03416	3.0
69.07074	10.3
70.83784	0.9
70.90242	2.6
72.08151	1.2
72.34340	1.0
79.05505	1.5
81.07064	28.5
83.08613	1.2
85.02911	12.9
85.06074	1.7
85.06549	25.1
91.05475	1.4
93.54334	1.0
95.08608	15.7
95.35873	1.0
97.02885	4.3
97.10184	13.1
99.08101	42.2
100.07607	1.6
109.02883	2.5
111.11716	3.3
127.03902	2.6
135.04373	1.8
137.13275	20.4
138.66289	1.1
145.04965	3.1
155.14317	86.1
161.06047	2.2
173.15375	24.7
174.13054	1.0
191.16443	100.0
217.05037	5.3
279.08499	1.8
353.15350	3.3
353.21802	1.8
416.59375	1.5
515.20483	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07195	3.1
55.01871	19.2
55.05511	6.3
67.05524	7.8
69.07065	6.0
79.05504	17.3
81.03410	10.3
81.07047	12.2
83.04971	10.3
91.05489	38.1
93.07062	16.2
95.04980	16.7
95.08611	12.9
95.76229	3.3
97.06552	5.8
103.05489	4.0
105.07037	24.8
105.33892	3.6
107.04951	10.0
107.08604	15.5
109.06552	8.4
115.05456	13.3
116.06197	4.0
117.07033	23.1
119.08585	48.8
121.06518	6.5
121.10172	7.2
128.06230	12.4
129.07014	23.4
130.07785	2.9
131.04991	4.1
131.08578	32.0
133.06517	3.7
133.10147	27.7
135.08055	10.8
141.06912	4.3
142.07773	12.8
143.08571	23.0
145.06485	24.0
145.10127	22.3
147.06927	6.3
147.08060	100.0
147.11697	4.0
149.09644	12.1
155.06064	2.9
155.08592	8.0
156.09367	19.2
157.10143	37.0
159.08073	35.3
159.11682	29.6
161.09616	37.1
163.07541	34.9
165.06917	4.4
165.09195	5.2
168.09399	3.6
169.10159	18.9
170.10864	15.4
171.08047	12.7
171.11691	71.8
172.08823	3.5
173.05998	15.3
173.09595	23.6
173.13275	11.0
175.07576	13.0
175.11108	6.8
179.08502	6.2
181.10054	5.6
183.08162	3.8
183.11678	27.3
185.09656	17.1
185.13263	66.4
187.07550	5.1
187.11218	18.1
189.09045	7.8
189.12811	5.3
193.10150	6.9
195.10146	3.1
195.11658	14.4
195.13419	3.0
197.09602	9.0
197.13304	12.4
199.11189	24.3
199.21976	2.8
200.11903	3.1
201.09201	8.0
201.12787	11.8
203.10699	6.0
203.14276	7.6
205.12212	4.6
207.11794	6.7
209.09654	3.5
209.13304	7.4
210.15228	3.7
211.11223	8.4
213.08958	2.9
213.12747	48.7
215.10768	5.6
217.08669	5.6
217.12228	6.3
219.11781	3.9
221.13332	5.3
223.11156	6.8
225.12691	5.8
225.16362	3.1
227.10713	7.9
229.12282	9.0
231.13737	21.2
232.12450	4.4
233.15395	7.2
234.14021	4.0
237.12843	5.9
237.16402	4.0
241.12183	21.6
243.13795	5.4
245.11517	4.0
245.15388	30.8
249.12701	3.2
251.14201	7.1
255.13884	11.0
257.15497	4.3
259.13263	25.1
263.16483	10.2
273.14883	24.6
277.14426	4.2
285.12558	3.0
287.14243	6.9
291.15952	10.1
299.14459	4.5
301.15732	3.6
315.17371	6.2
317.19083	6.6
327.13718	3.4
327.17456	14.9
331.20697	3.8
341.18893	12.0
345.18655	6.0
359.20120	9.5
369.17929	4.6
377.21484	5.1
387.19626	19.3
391.22601	7.0
401.21259	16.8
405.20758	11.1
407.22388	4.4
419.22287	39.2
437.23785	27.0
455.20242	4.0
479.24374	8.5
483.23682	15.1
497.25952	6.5
515.25128	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	515.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01872	19.5
55.05514	2.2
59.04997	1.6
61.64418	1.6
65.03957	2.4
67.05508	7.3
68.71961	1.3
69.03433	6.7
69.07067	4.3
69.29520	11.6
70.16861	1.4
79.05495	14.4
81.03421	11.3
81.07066	7.0
83.04978	2.1
85.06542	2.3
91.05486	34.0
93.07039	11.5
95.01342	3.8
95.04980	11.3
95.08608	8.7
97.06509	2.4
103.05471	3.2
105.07035	30.1
107.04950	6.7
107.08606	10.8
109.06525	7.4
109.10158	3.1
115.03930	1.9
115.05450	10.9
116.06261	3.2
117.07022	22.5
118.01169	1.5
119.04945	2.0
119.08588	36.0
121.06512	5.7
121.10168	6.1
123.08103	3.0
128.06194	9.6
129.06992	24.8
130.07770	2.4
131.04889	2.4
131.08589	22.8
132.05713	2.4
133.06493	5.9
133.10144	23.3
135.08044	11.0
135.11696	1.8
141.06989	6.2
142.07747	8.9
143.08568	22.2
144.09325	2.5
145.06502	20.3
145.10141	20.0
147.08052	100.0
147.11693	2.8
149.06116	2.1
149.09639	12.5
152.06180	2.4
153.07030	1.9
155.08586	7.8
156.09328	17.2
157.10139	39.7
158.07291	3.0
158.10854	2.2
159.08055	35.0
159.11690	29.8
161.06013	4.0
161.09634	37.1
161.13234	2.9
163.07559	35.4
163.11191	4.5
165.06998	5.1
166.07874	1.9
167.08559	4.0
168.09401	2.6
169.10130	15.0
170.10916	10.7
171.08057	8.7
171.11691	70.9
172.12268	1.7
173.05988	12.2
173.09641	22.3
173.13257	8.5
175.07521	12.0
175.11188	6.7
177.09091	2.1
179.08501	3.2
179.10678	3.6
180.09357	3.5
181.10138	6.6
182.07303	2.0
183.08015	2.7
183.11699	24.6
184.08760	2.3
185.09625	13.1
185.13266	56.3
187.07556	5.5
187.11176	10.6
187.14862	2.6
189.09135	6.2
189.12738	6.5
191.10706	2.0
193.10120	3.8
194.11058	1.9
195.08109	1.7
195.11694	10.3
197.09673	8.0
197.13242	9.8
198.10367	3.6
199.07503	3.8
199.11180	23.3
200.11890	1.8
201.09145	6.4
201.12709	9.9
203.10678	3.8
203.12578	1.7
203.14386	4.6
205.12292	2.2
207.11720	4.3
209.09619	6.1
209.13245	5.4
211.11275	4.2
213.09369	1.9
213.12759	44.5
215.10709	4.6
215.14241	4.2
217.10428	2.0
217.12294	5.7
219.11771	2.8
220.12589	2.4
221.13301	5.1
222.10349	2.4
223.11203	6.6
223.14899	3.2
225.12781	5.1
227.10712	6.2
229.10223	2.6
229.12190	8.0
230.11032	1.7
231.10057	3.2
231.13739	16.4
232.12506	2.0
233.13272	3.7
233.15410	4.8
235.11218	3.4
235.14883	3.1
237.12750	7.9
241.10109	2.3
241.12303	16.9
243.11714	2.9
243.13821	7.2
244.12527	2.9
245.09695	2.1
245.11595	2.5
245.13196	2.2
245.15384	32.0
245.17699	2.7
247.11107	3.3
249.12785	3.5
251.14304	3.4
255.11626	1.6
255.13907	9.1
257.15546	2.7
258.14026	1.9
259.10907	3.5
259.13205	21.1
261.12650	4.0
263.14215	3.9
263.16577	7.8
269.13187	2.9
273.14813	22.2
275.14340	3.7
279.14093	1.8
283.14703	2.2
285.12744	3.3
287.14285	3.2
289.15915	2.7
291.15915	11.8
297.12756	3.5
299.14188	2.8
299.17795	1.7
301.15781	4.0
302.16748	2.4
303.17230	2.5
311.14182	2.2
312.15125	3.6
313.15915	5.9
315.10043	1.8
315.17267	5.3
317.15579	1.7
317.19049	5.7
326.16602	2.6
327.17520	15.5
328.18393	2.1
331.20551	2.4
341.18994	8.8
345.18655	9.7
349.17725	1.8
356.18152	1.6
357.18454	2.7
359.19949	10.2
363.19650	1.9
369.18384	3.3
377.21060	7.0
387.19547	12.1
389.21146	4.1
391.22681	6.1
401.21033	19.6
405.20624	10.8
407.22235	4.2
419.17642	2.5
419.22296	28.3
437.23441	25.7
453.39648	1.8
455.24408	4.4
461.23398	4.1
476.76309	1.7
479.24170	4.8
483.23712	14.5
497.25940	7.5
515.26178	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	515.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	3.4
53.03941	4.3
55.01870	3.9
55.05516	17.1
65.03937	3.8
67.05508	11.8
68.99812	4.2
69.03416	8.3
69.07054	10.6
70.80414	7.7
79.05477	20.2
81.03445	4.1
81.07063	17.8
82.26508	2.5
83.04987	22.3
83.89851	2.6
91.05491	50.0
91.93835	2.5
93.07061	23.9
95.04974	16.6
95.08629	12.8
97.02879	2.9
97.06529	6.2
103.05479	17.4
105.07037	75.4
107.04968	6.6
107.08621	24.5
109.06528	13.4
109.10165	8.4
115.05462	12.0
116.06252	5.3
117.07028	24.5
119.04925	7.5
119.08585	57.5
119.56077	2.8
121.06493	13.4
121.10162	16.5
123.04456	3.7
123.08099	4.4
125.02369	4.9
127.03996	2.9
128.06223	13.9
129.06995	20.7
130.07817	4.3
131.04932	15.8
131.08574	44.5
133.06488	23.1
133.10144	52.4
135.08040	18.3
135.11717	3.7
137.05969	3.8
137.09566	3.4
139.03894	3.5
141.06969	8.1
142.07788	16.7
143.08569	42.0
144.05699	2.7
144.09297	3.5
145.06473	11.9
145.10104	27.2
147.08063	37.3
147.11635	8.8
149.06007	6.1
149.09634	14.0
151.07484	5.6
153.07013	6.7
154.07744	5.3
155.08569	18.4
156.09387	18.4
157.06512	4.9
157.10118	48.1
159.04391	9.7
159.08076	26.3
159.11736	26.1
161.05989	30.4
161.09633	30.6
161.13237	3.4
163.07558	7.6
163.11110	3.4
165.06961	6.0
165.09090	5.3
165.49612	3.3
166.07779	4.4
167.08575	12.4
168.09314	6.4
169.06464	3.8
169.10144	31.0
170.10910	16.1
171.08084	21.3
171.11703	68.7
172.08867	3.5
172.12346	2.8
173.06013	7.1
173.09616	26.6
173.13271	8.4
175.07561	24.2
175.11198	7.6
177.05498	8.1
177.09094	12.4
178.07716	3.1
179.07027	12.3
179.08630	8.2
179.10683	4.2
180.09296	5.4
181.06384	3.0
181.10152	11.6
183.08221	12.3
183.11702	100.0
185.09648	22.6
185.13263	39.5
187.07558	11.9
187.11125	16.3
187.14848	4.5
189.05475	9.4
189.09122	11.2
189.12735	8.5
191.07036	4.0
191.10680	6.4
192.09364	5.2
193.08591	12.7
193.10168	15.8
193.12041	2.9
194.10947	7.2
195.08092	7.3
195.11726	17.7
196.08769	4.3
196.12399	5.0
197.09572	12.9
197.13295	16.7
198.10457	6.6
199.07541	10.6
199.11186	27.4
200.11882	6.4
201.09111	11.2
201.12756	8.3
203.06914	6.5
203.08635	4.8
203.10690	6.9
204.09457	3.3
205.04912	6.1
205.08511	5.6
205.10190	5.1
206.10878	8.3
207.11713	16.5
208.12509	4.3
209.09628	9.0
209.13321	15.0
211.07567	5.7
211.11160	15.2
211.14757	5.0
213.09187	17.4
213.12715	38.8
215.10698	8.4
215.14151	3.5
216.09344	5.3
217.08510	24.1
217.10345	5.6
217.12199	6.2
218.10828	6.2
219.11765	8.7
220.12476	6.3
221.09804	3.7
221.13344	18.1
222.10582	3.9
222.14124	4.7
223.11185	7.2
223.14786	7.9
225.09134	7.4
225.12704	3.2
227.10654	8.4
229.08449	4.5
229.10292	5.8
229.12102	14.3
230.10915	5.3
231.09908	4.0
231.11723	11.1
231.13831	28.9
232.12405	7.8
233.09717	6.2
233.13255	9.6
234.10519	3.4
234.13972	4.1
235.07460	3.5
235.11198	8.1
235.14815	9.0
237.12737	9.2
237.16521	3.1
239.10617	6.0
241.08527	7.0
241.12271	10.0
243.11661	10.7
243.13901	5.4
244.12520	6.5
245.13451	17.2
246.10356	4.8
246.14006	8.3
247.11156	7.1
247.14848	9.0
248.11887	3.0
248.15602	5.3
249.12773	5.2
251.10710	6.2
251.14316	5.5
253.08369	3.6
253.12367	5.9
255.11743	5.4
255.14014	3.6
256.12387	5.9
257.13306	9.2
258.10474	4.2
258.14114	11.3
259.09415	5.6
259.10776	4.5
259.13016	29.6
260.15652	3.0
261.12680	7.8
261.16498	5.9
262.13583	4.0
263.10538	5.3
263.14273	4.4
265.12250	4.0
265.15747	3.1
267.06494	4.6
267.11588	4.4
267.14050	5.2
268.12387	4.2
269.09567	3.3
269.13190	10.2
270.14005	10.6
271.11261	4.7
271.14847	9.1
272.11932	3.3
272.15649	7.8
273.12784	7.2
273.16367	7.8
274.13477	3.0
275.14413	6.2
275.17749	5.9
277.14462	9.2
279.13864	4.3
282.13953	3.8
283.14893	5.6
284.15726	5.7
285.12866	5.3
285.16470	11.7
286.13638	6.2
287.10712	5.4
287.14502	4.7
287.17941	4.9
288.14920	3.2
289.12299	4.7
289.15866	4.4
291.13855	5.8
291.17416	3.8
297.12756	5.7
297.16464	4.5
298.13422	5.0
299.14270	7.9
299.17856	6.7
300.15115	4.2
301.12372	6.9
301.15875	9.1
303.13693	4.6
303.17374	9.2
307.13412	3.9
309.18506	4.3
311.14111	4.2
312.15030	4.2
313.12219	5.5
313.15634	5.8
315.13779	7.2
315.17188	6.5
316.14615	4.1
317.11908	3.9
317.15414	10.4
317.18665	6.3
319.13367	3.8
319.16824	7.4
321.14767	3.6
321.18149	4.0
325.12335	5.0
327.13849	4.9
327.17566	7.8
329.11932	3.8
329.15335	18.8
331.13470	3.7
331.16946	14.9
335.12726	4.4
335.16470	4.2
337.18375	3.0
341.15314	10.4
343.16885	8.7
345.18573	17.5
347.16403	19.3
347.20123	4.9
349.17996	8.6
355.16870	13.3
357.18814	3.5
358.15570	3.2
359.16528	22.1
360.17593	3.7
361.13971	2.9
361.17871	8.6
363.19592	11.8
365.17468	9.3
371.16522	12.3
373.18015	37.9
375.19675	6.5
377.17474	27.1
379.18921	6.1
383.16351	14.7
389.17468	21.6
391.19086	41.7
393.20920	3.6
395.18491	5.7
401.17563	47.0
407.18674	15.8
409.20282	18.9
419.18530	78.0
437.19650	84.8
455.20743	22.9
461.19461	4.3
479.20630	15.9
497.21710	25.6
515.22736	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	515.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96368	1.7
53.03948	4.8
53.07150	1.7
55.01860	4.7
55.05506	5.2
58.10028	1.7
65.03930	3.4
67.05511	8.7
69.03417	5.8
69.07082	4.5
71.55732	3.0
79.05497	13.9
81.03422	2.4
81.07059	9.8
83.04985	5.1
83.08600	2.3
85.06499	2.3
91.05484	29.1
93.07049	25.5
95.04986	12.2
95.08611	14.1
97.06535	4.4
103.05479	7.8
105.07034	39.0
107.04977	4.9
107.08618	20.2
109.06522	6.6
109.10140	3.5
111.04432	2.5
115.05456	8.3
116.06242	2.1
117.07029	13.7
119.04960	4.8
119.08588	37.6
121.06486	9.3
121.10152	11.0
123.08069	5.0
128.06230	8.5
129.07010	11.3
130.07762	3.1
131.04915	3.6
131.08580	21.5
133.06512	12.4
133.10139	32.6
135.08075	17.2
137.09576	5.2
141.07022	7.5
142.07762	11.4
143.08572	24.7
145.06525	10.1
145.10123	20.7
147.04395	1.9
147.08041	23.9
147.11687	6.5
149.06012	5.3
149.09627	12.9
151.07549	4.0
153.05507	2.1
153.06979	4.2
154.07782	2.8
155.08594	11.4
156.09387	14.7
157.06500	3.4
157.10141	36.9
158.07243	2.2
159.08081	15.3
159.11696	13.8
161.06026	12.6
161.09631	19.7
163.07549	6.8
163.11150	2.0
165.06993	5.7
165.09174	4.4
166.07756	2.0
167.08606	7.5
168.09341	4.5
169.06490	2.5
169.10124	19.2
170.10942	10.7
171.08063	15.9
171.11691	45.1
172.08769	2.4
172.12369	2.8
173.05907	2.7
173.09607	17.0
173.13239	5.6
175.07564	8.4
175.11229	6.2
177.05528	3.2
177.09109	6.0
178.07744	2.5
179.07094	4.0
179.08600	7.7
179.10400	2.3
180.09357	2.6
181.06625	2.4
181.10127	10.7
183.08061	7.6
183.11710	29.0
184.08838	4.2
185.09694	13.9
185.13252	18.4
187.07529	4.5
187.11227	9.1
189.05457	3.9
189.09135	5.0
191.10661	3.0
192.09361	4.2
193.08589	3.1
193.10150	10.6
195.08058	2.8
195.11639	11.4
196.08784	2.6
197.09633	12.5
197.13200	10.3
198.10387	2.9
199.07608	3.3
199.11177	15.1
200.11980	3.4
201.09140	6.2
201.12685	4.4
202.07811	2.4
203.07014	3.9
203.08795	2.3
203.10706	5.5
205.10185	4.7
206.10947	6.5
207.11688	13.5
208.08984	2.8
208.12608	5.1
209.09599	7.0
209.13301	8.4
210.10480	3.9
211.07632	3.2
211.11263	10.7
211.14771	2.7
213.09193	10.3
213.12727	15.3
213.78711	2.0
215.08719	2.9
215.10687	5.5
215.14322	2.4
217.08542	6.3
217.10173	5.1
217.12280	5.4
218.10922	4.9
219.11740	8.3
220.12566	6.2
221.09663	3.9
221.13350	10.5
222.14000	2.4
223.11261	7.0
223.14964	3.8
225.09096	5.7
225.12737	13.2
227.10675	3.8
228.09467	2.6
229.10159	4.6
229.12267	8.8
230.10878	3.7
231.09886	3.1
231.11731	6.5
231.13638	11.4
232.12413	4.2
233.13242	7.4
234.10400	2.2
234.13992	3.5
235.11293	4.9
235.14821	6.5
236.12029	2.9
237.12758	5.9
237.16257	2.4
239.10805	2.8
239.14333	3.3
241.10156	3.4
241.12349	5.1
242.10916	3.4
243.11678	6.1
243.13942	6.6
244.12474	5.6
245.13297	6.8
246.14204	3.9
247.11246	5.0
247.14865	7.3
249.12775	5.7
249.16396	5.5
250.13553	2.2
251.14337	4.3
253.12305	2.8
255.11681	3.7
256.12524	3.6
257.13278	7.7
258.14005	3.8
259.13168	6.3
259.15201	5.6
260.11868	3.1
260.15628	4.2
261.12778	5.8
261.16452	7.1
263.14490	3.0
263.18079	3.8
265.12256	2.3
265.15936	3.6
269.13220	3.1
270.14084	2.5
271.14789	3.3
272.15558	3.0
273.12711	4.6
273.16306	5.7
274.13470	2.7
275.14368	7.9
275.17899	4.4
276.15036	2.9
277.16052	2.7
279.14008	3.0
283.14719	3.2
284.15720	3.1
285.12936	4.0
285.16370	8.1
286.13318	2.0
287.14371	5.2
287.17920	3.9
289.12375	3.1
289.15912	5.4
290.16684	2.4
291.13809	3.0
291.17453	6.3
299.14340	3.8
301.15915	8.2
303.13986	4.4
303.17389	9.0
305.15674	2.0
305.19067	3.2
307.13528	2.3
307.17062	4.8
312.14960	2.4
313.15945	4.6
315.13998	2.3
315.17429	6.7
317.15445	4.9
317.18890	2.4
319.17130	4.5
321.14893	3.4
321.18378	4.0
327.17355	3.6
329.15094	5.3
329.18970	3.5
331.17004	9.8
331.20428	2.5
333.14883	3.0
333.18500	5.9
335.16589	3.0
337.17975	5.2
340.14700	2.5
343.16943	2.5
345.14676	2.5
345.18451	6.9
347.16406	9.8
347.20276	5.4
349.17920	10.9
351.19382	2.9
355.16724	5.4
357.18604	3.0
359.16458	9.7
361.18079	3.2
363.15790	3.0
363.19662	8.5
365.17334	5.5
365.21353	2.9
367.19113	3.7
373.17899	9.8
375.19608	5.6
377.17499	19.8
379.19058	5.5
381.20645	3.3
389.17502	7.9
391.19196	23.6
393.20578	6.2
395.18405	6.8
397.20044	6.7
401.17416	15.1
407.18579	6.4
409.20029	14.2
419.18506	41.5
419.31342	1.8
425.19852	4.7
427.21262	5.8
437.19519	46.1
437.25104	3.6
455.20718	36.2
469.22348	2.9
473.21606	2.7
497.22183	13.2
515.22815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
53.24301	1.7
54.20235	2.2
55.01886	2.4
55.05511	6.7
55.30375	2.0
57.03413	2.1
65.03960	3.5
66.50002	1.9
67.05521	6.4
67.62215	2.0
69.03430	6.0
69.07067	17.4
71.08624	3.3
71.20798	5.0
71.69862	2.0
79.05495	11.4
81.03387	5.1
81.07067	7.5
83.04983	6.2
83.08636	3.5
86.06075	2.7
91.05484	18.7
93.07037	16.0
95.04973	7.9
95.08591	6.1
97.02889	2.6
103.05502	4.1
105.03429	2.2
105.07043	21.4
107.04958	6.0
107.08599	9.5
109.02897	2.6
109.06532	6.4
109.10164	3.0
112.07607	3.1
115.05458	3.6
116.10723	7.1
117.07027	6.3
117.11110	2.8
119.04948	4.6
119.08607	22.5
121.02894	5.5
121.06541	8.7
121.10155	6.8
123.08101	2.7
123.11786	2.7
125.06013	2.2
128.06244	8.0
129.07014	8.6
131.04955	4.5
131.08594	15.6
133.06488	11.0
133.10152	16.9
135.04462	2.5
135.08063	6.6
137.09630	4.1
141.07030	6.4
142.07790	6.5
143.08553	18.9
145.06494	14.1
145.10141	8.2
146.07352	2.3
147.08099	16.5
147.11661	3.1
149.06024	4.6
149.09674	7.6
153.06961	3.2
155.08543	11.1
156.09334	10.4
157.10138	24.8
158.07172	2.6
159.08078	15.1
159.11702	6.1
161.06012	7.5
161.09677	14.8
163.07550	4.1
165.06995	5.2
166.07770	2.6
167.08601	4.5
168.09338	3.2
169.06598	3.4
169.10126	12.9
170.10872	12.1
171.08075	37.3
171.11691	33.0
172.08852	3.6
173.09636	13.8
173.13318	3.5
175.07568	6.4
175.11172	6.1
177.05472	14.5
179.07040	12.7
179.08517	4.0
179.10674	2.8
180.09348	4.2
181.10193	8.3
182.10922	4.2
183.08083	10.1
183.11699	27.9
184.08899	5.8
185.09656	23.3
185.13261	26.9
187.11226	7.6
189.09142	5.9
191.06963	2.7
192.09315	3.5
193.10214	3.5
194.10960	3.1
195.08098	2.5
195.11674	10.7
197.09676	8.9
197.13229	14.2
198.10429	12.8
199.07616	3.8
199.11157	23.2
200.11971	21.8
201.12799	5.3
203.07065	6.5
203.10728	3.5
203.14273	2.5
206.10916	2.4
207.11757	6.7
209.09619	4.8
209.13376	4.9
210.10452	5.2
211.11221	6.1
212.11716	2.6
213.09203	8.5
213.12756	88.1
214.18088	15.9
215.10748	6.3
215.18362	13.1
217.08594	52.4
217.12109	4.6
219.06424	3.2
219.11810	4.3
220.12540	3.2
221.13409	3.4
223.11200	4.2
223.14729	2.8
225.09338	3.2
225.12785	22.4
227.10657	3.2
229.08662	4.1
229.12357	5.2
231.11833	2.5
231.13803	20.2
232.12610	2.6
235.11244	4.6
237.12766	3.0
239.10704	2.6
241.08569	3.1
241.12225	4.9
242.13011	2.3
243.13721	10.2
244.12578	2.7
245.13321	4.1
246.13969	3.3
247.11404	3.6
248.11948	2.9
249.12688	2.5
251.14279	2.3
253.12370	3.8
257.11664	3.2
258.14096	2.9
259.10568	4.3
259.13306	88.7
267.13843	3.0
271.14777	3.0
273.12671	2.9
277.14383	67.5
284.15717	2.2
285.16324	2.7
289.12231	4.3
289.15970	2.9
299.17764	2.5
317.15585	2.2
327.17612	2.8
329.15491	2.4
331.16934	6.1
337.16425	4.5
345.18512	2.8
347.16690	3.2
355.16888	2.5
359.16425	6.9
373.18182	5.7
377.17560	13.6
381.21185	4.3
389.17276	4.7
391.19086	9.7
393.16974	2.6
395.18707	10.3
401.17554	8.2
417.23135	5.7
419.18506	35.0
437.19684	41.8
447.28040	2.3
455.20877	12.0
479.20532	8.1
479.27533	4.3
497.21808	45.5
497.28418	3.6
515.22943	100.0
515.30481	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	515.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
55.01871	8.0
55.05510	3.4
57.03431	2.7
67.05200	2.7
67.05512	11.2
68.45615	2.4
69.03424	7.2
69.07068	7.5
69.23299	18.1
69.23715	5.7
69.55836	2.2
71.04996	3.5
74.15157	2.3
75.83056	2.0
79.05498	22.2
81.03418	4.1
81.07087	11.8
83.05003	4.6
85.06484	2.7
91.05484	46.0
93.07056	25.8
93.57501	2.5
95.04989	12.8
95.08626	14.1
97.06555	5.1
103.05484	15.9
105.07033	82.4
107.04948	7.1
107.08604	26.4
108.83350	2.2
109.06537	10.3
109.10130	6.8
109.45834	2.1
109.71844	2.2
114.30907	2.6
115.05485	14.6
116.06247	4.7
117.07015	27.4
119.04922	3.6
119.08591	50.3
121.06517	11.9
121.10164	12.5
123.08103	2.6
128.06219	13.1
129.07022	16.4
130.07854	3.5
131.04950	10.2
131.07706	4.1
131.08580	38.8
132.05708	2.8
133.06493	28.9
133.10130	43.2
135.04469	3.1
135.08086	10.9
137.06039	2.3
141.06952	11.6
142.07768	17.8
142.14105	2.5
143.04979	4.0
143.08572	35.1
144.09309	6.1
145.06494	13.0
145.10130	27.7
147.08058	27.3
147.11720	7.8
149.05949	5.7
149.09631	17.2
151.07523	5.4
153.06984	6.0
154.07747	5.1
155.08572	19.3
156.09357	29.1
157.06544	4.9
157.10133	56.7
157.11453	3.0
158.10812	5.6
159.04428	9.5
159.08049	20.7
159.11702	20.8
161.05991	43.4
161.09644	25.7
163.07578	18.0
165.07048	8.2
166.08009	3.0
167.07193	2.7
167.08606	8.6
168.09373	5.4
169.06525	3.6
169.10120	31.0
170.07307	3.8
170.10938	20.0
171.08055	18.6
171.11697	80.1
172.12428	4.2
173.05977	9.4
173.09625	27.5
173.13268	10.9
175.07550	26.4
175.11220	10.1
177.05420	3.2
177.09106	16.2
179.07036	7.3
179.08624	10.7
179.10695	7.3
180.09341	7.0
181.06425	3.8
181.10150	9.4
182.10883	6.6
183.08121	9.6
183.11703	51.1
184.08894	3.7
184.12466	7.2
185.09647	25.7
185.13263	56.5
186.10396	5.8
187.03871	11.6
187.07565	10.3
187.11189	24.2
189.05484	16.7
189.09093	14.0
189.12794	4.5
191.07028	3.1
191.10764	7.3
192.09381	7.6
193.08592	4.1
193.10141	12.1
194.10933	6.2
195.08099	7.3
195.11687	15.1
196.12515	3.8
197.09669	17.7
197.13264	12.4
198.10350	4.2
199.07539	8.6
199.11183	26.6
200.11948	6.2
201.09122	9.8
201.12781	14.1
202.07806	3.6
203.07001	6.8
203.08771	4.6
203.10715	8.3
204.09311	4.3
205.05014	3.5
205.10185	6.3
205.12164	4.4
206.10938	7.1
207.11710	17.5
208.12610	3.8
209.09608	6.7
209.13266	9.7
211.07553	6.4
211.11256	12.3
211.14839	4.4
213.09270	15.2
213.12733	38.8
215.10583	13.4
217.08434	17.2
217.09755	3.3
217.10370	4.4
217.12292	8.7
218.10942	4.2
219.09918	3.8
219.11694	7.8
220.12494	4.6
221.09776	4.7
221.13298	14.1
222.14114	2.7
223.07664	2.8
223.11200	9.3
223.14854	5.7
225.09195	5.6
225.12720	7.0
229.10260	4.2
229.12210	22.2
230.10995	5.7
230.13046	3.0
231.09799	13.4
231.11792	8.5
231.13721	33.6
232.08846	3.2
232.12514	6.7
233.09607	5.8
233.11694	7.5
233.13348	9.2
234.14108	3.7
235.11157	6.8
235.14816	10.1
237.12895	6.8
239.10802	6.1
241.08505	4.8
241.12299	10.0
242.10912	2.9
243.11977	11.9
243.13899	4.9
244.12511	9.9
245.13449	14.3
246.14163	3.5
247.11137	5.8
247.14906	8.4
248.12056	3.5
248.15622	2.7
249.12791	6.0
249.14882	3.6
250.13394	3.1
251.10646	5.9
251.14288	5.4
253.12227	4.4
255.11632	8.6
256.12561	4.8
257.09488	3.0
257.13559	15.2
258.14014	7.3
259.09454	4.9
259.10797	3.6
259.12897	19.2
260.11795	5.4
260.15842	2.9
261.09048	3.6
261.12793	6.5
261.16431	6.0
263.10641	3.5
263.14313	4.1
265.12238	6.1
265.15762	2.8
267.06546	3.0
267.11505	4.0
268.12579	2.9
269.13150	7.2
270.14102	12.3
271.11221	2.7
271.14789	11.1
272.11963	4.0
272.15701	6.1
273.12683	8.7
273.16345	10.5
274.13562	2.7
275.14459	5.5
275.17947	4.6
277.14474	3.2
279.13962	4.3
281.13010	4.6
282.14172	2.8
283.11169	4.9
283.14798	5.2
284.12048	6.1
284.15677	5.5
285.07782	5.0
285.12677	9.9
285.16422	14.8
286.13556	3.2
286.17224	4.1
287.14233	8.1
287.17935	5.7
289.12277	5.5
289.15906	5.6
291.13766	3.1
293.15414	4.9
294.14264	3.6
297.12708	6.9
297.16110	4.6
298.13477	7.6
299.14166	8.1
299.17883	6.6
301.12198	6.7
301.15768	5.4
302.13141	3.1
302.16544	3.1
303.10382	2.8
303.13821	9.5
303.17511	11.0
305.15408	4.7
307.13181	4.0
312.15173	6.8
313.12463	3.9
313.15823	11.1
314.16837	3.6
315.13727	9.6
315.17426	7.1
317.15335	6.6
317.19052	8.2
318.15759	3.7
319.13217	3.8
319.16891	5.9
321.14835	3.9
321.18356	3.6
326.12900	3.1
327.13928	3.8
327.17404	14.0
328.14615	3.0
329.15237	9.8
329.18820	3.6
330.15961	5.4
331.13403	3.6
331.16864	26.4
333.14941	6.1
333.18665	5.0
340.14722	3.8
341.15314	9.0
343.16998	8.9
345.14774	5.3
345.18512	25.8
347.16409	14.4
347.20078	5.0
349.14420	4.1
349.17975	20.4
355.16943	14.0
359.16327	22.1
360.17218	3.5
361.18018	9.8
363.19418	22.1
365.17505	5.0
371.16544	7.3
373.17990	57.5
375.15485	3.5
375.19550	6.6
377.17514	20.6
379.18967	4.9
383.16525	7.6
389.17496	13.5
391.19037	73.0
393.16635	3.4
395.18402	5.7
401.17474	55.4
407.18512	13.5
409.20184	21.9
419.18524	100.0
425.19550	4.8
437.19589	85.0
455.20648	22.0
461.19507	2.7
479.20779	11.0
497.21768	23.5
515.22711	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
53.99551	3.7
55.01874	9.0
55.05512	6.8
62.03775	3.2
65.03952	4.0
67.05509	30.0
69.03424	15.8
69.07077	11.2
71.55728	4.9
72.66988	3.4
74.50986	3.6
75.68861	3.4
79.05500	25.7
81.03413	15.3
81.07064	19.0
83.04967	11.2
85.02913	11.9
90.28107	3.7
91.05478	46.2
93.03410	10.0
93.07032	28.7
95.01260	3.6
95.04958	47.4
95.08612	23.0
97.02898	46.8
97.06509	5.1
103.05478	3.5
104.01292	4.3
105.03411	7.9
105.07029	45.9
107.04946	10.9
107.08583	19.7
109.06533	12.2
109.10162	4.7
115.05411	4.4
117.07026	28.6
119.04920	9.8
119.08593	59.1
121.02898	29.3
121.06548	25.6
121.10174	14.1
123.04427	7.6
123.08084	14.8
128.06239	14.1
129.06998	20.8
130.07800	3.3
131.04951	7.1
131.08574	32.1
133.06502	17.9
133.10139	27.5
135.04393	7.8
135.08057	24.9
137.09641	10.1
139.03903	7.5
141.06982	10.0
142.07788	15.3
143.08563	33.6
145.06514	19.3
145.10149	29.0
147.04439	5.3
147.08060	51.3
147.11697	5.1
149.05977	7.2
149.09624	10.4
151.07553	6.3
153.05492	4.4
153.06931	5.8
154.07777	5.4
155.08582	28.0
156.09375	12.1
157.06468	6.9
157.10139	40.8
158.07359	4.2
159.08057	26.8
159.11739	14.8
161.06018	14.4
161.09644	26.8
163.07559	34.2
165.06984	11.7
165.09163	4.2
166.07790	7.7
167.08606	15.2
168.09378	7.0
169.06454	4.2
169.10092	26.3
170.10901	10.6
171.08067	23.4
171.11688	43.4
173.05978	4.7
173.09689	24.0
173.13258	5.7
175.07567	12.7
175.11172	8.0
177.09163	5.4
178.07877	6.7
179.08598	13.1
179.10609	3.6
180.09352	10.5
181.10112	13.4
182.10971	5.7
183.08076	19.9
183.11696	29.8
184.08830	5.3
184.12256	5.1
185.09656	26.4
185.13283	28.0
187.07594	7.7
187.11104	8.0
189.09091	8.1
191.08588	6.8
191.10732	6.5
192.09380	5.8
193.10168	16.4
194.10965	5.8
195.08046	9.4
195.11722	24.0
196.08858	11.4
197.09605	24.0
197.13248	26.7
198.10387	7.6
199.07585	8.4
199.11237	32.0
199.14690	4.6
200.12025	10.6
201.09058	10.9
201.12697	6.2
203.07021	5.4
203.08749	5.6
203.10622	6.5
206.10901	10.1
207.11726	15.5
209.09641	12.9
209.13309	9.6
210.10402	6.3
211.11198	27.5
213.09183	9.9
213.12759	30.5
215.10730	11.9
217.08589	12.2
217.12195	7.3
218.10913	5.5
219.08057	5.0
219.11752	10.3
220.08876	5.4
220.12532	8.1
221.09671	7.6
221.13312	10.9
222.10260	4.6
223.11256	10.9
224.11972	6.2
225.09216	7.6
225.12712	49.1
226.13383	5.0
226.62547	4.3
227.10666	8.2
227.14273	6.8
229.12267	11.2
231.11778	7.5
231.13768	12.8
232.12440	7.4
233.09644	8.2
233.13313	14.9
234.10402	5.4
234.14034	6.2
235.11205	8.4
235.14873	6.7
236.11955	5.0
237.12738	8.8
239.10628	8.0
241.12201	9.1
241.15808	5.7
243.11722	7.0
243.13890	17.7
244.12540	8.9
245.13341	7.5
245.15471	6.5
246.13979	5.6
247.14931	10.2
249.12793	8.5
249.16472	9.4
251.10660	4.7
251.14407	11.9
253.12206	7.3
258.14063	5.1
259.12952	22.1
260.15430	4.5
261.11053	5.6
263.14255	8.0
265.16162	4.4
267.13699	7.4
268.94388	4.0
270.14127	6.7
271.14746	6.4
273.12582	5.3
273.16321	9.2
275.14255	8.1
275.17853	5.8
277.12292	5.4
277.15839	10.0
287.14346	10.5
289.12473	5.8
289.15747	8.2
291.13498	4.2
291.17273	10.7
295.13406	3.8
297.14832	7.9
299.16550	7.7
301.15796	7.4
303.13657	4.7
305.18774	4.7
307.16754	7.6
309.18353	5.4
319.16971	10.0
325.14334	9.5
329.15494	6.0
331.16940	12.7
333.14694	5.7
333.18387	7.0
341.15192	4.6
345.18475	4.7
347.16403	6.4
349.17999	8.1
351.15839	6.0
359.16321	9.0
361.17914	11.4
363.19589	7.9
365.17374	5.8
373.17993	13.1
377.17429	21.7
379.19308	4.7
389.17572	9.4
391.19034	26.8
393.16772	6.8
395.18597	8.1
397.20135	11.8
401.17343	16.8
407.18567	6.7
409.20078	19.4
419.18542	62.4
427.21069	6.7
437.19553	100.0
455.20651	99.9
479.20602	10.3
497.21533	23.3
497.32629	6.4
515.22839	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
57.03450	1.3
61.02935	1.8
69.03449	2.8
70.52368	3.9
70.83099	1.3
71.34494	1.1
73.02900	1.1
77.88117	1.0
81.03421	2.0
85.02904	10.6
91.05433	1.2
97.02908	4.2
98.97594	1.8
103.05437	1.8
109.02892	1.3
117.03357	1.5
127.03900	2.1
131.04968	2.8
135.04414	2.2
137.05998	4.6
145.02805	3.5
145.04979	2.2
146.03598	3.7
147.04388	2.1
157.02980	1.2
159.04425	3.2
161.05946	8.7
161.27419	1.1
163.03922	6.6
175.07536	1.6
177.05513	8.0
181.04868	1.3
187.03882	4.4
188.77672	1.4
189.05470	2.0
191.03406	4.4
191.07054	3.5
201.05376	2.0
202.02646	7.6
203.07077	3.4
215.03400	4.7
217.04973	100.0
219.06555	9.0
227.07069	1.4
229.04965	5.5
233.04488	2.1
243.06604	2.4
245.04436	11.4
247.06041	6.3
275.05481	9.1
293.06616	24.8
305.06528	14.6
317.06619	1.9
335.07684	4.4
353.08670	4.9
454.40176	1.3
471.15021	1.7
487.94037	1.3
497.17947	1.4
515.13507	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01864	1.8
61.02910	1.3
69.03403	2.6
69.36541	1.9
69.36954	5.1
70.06583	0.8
71.04994	1.2
72.08128	0.9
77.61428	0.9
79.05477	1.1
81.03425	1.7
81.07052	1.3
84.08134	1.2
85.02901	9.8
85.06525	1.4
86.09695	2.0
88.30166	0.9
91.05473	1.7
93.07037	0.8
95.08585	1.0
97.02876	3.0
99.04453	1.5
100.07602	1.6
103.05456	2.1
105.07033	1.7
107.08617	1.1
109.02843	1.1
117.03352	1.5
127.03918	3.4
131.04919	3.0
135.04398	2.2
136.07617	1.0
137.06001	4.4
142.65837	0.8
145.02817	2.4
145.04976	1.3
146.03654	4.4
147.04395	1.0
149.05951	3.0
151.03889	3.4
151.07518	1.1
159.04410	3.2
160.05186	1.2
161.05959	9.7
163.03917	5.7
163.07532	1.4
167.07062	1.5
171.04520	0.9
171.96709	0.8
175.07487	0.9
177.05455	9.4
187.03868	3.9
189.01903	0.8
189.05437	2.2
191.03413	3.5
191.07024	2.9
201.05473	1.9
202.02646	7.4
203.07043	1.8
205.05014	0.9
213.09297	0.8
215.03320	3.3
217.04967	100.0
219.06546	8.8
227.07292	0.8
229.04968	6.3
231.06403	1.4
233.04373	2.4
235.06009	1.5
243.06540	0.8
245.04436	13.4
247.05988	7.6
273.07697	1.0
273.11142	0.9
275.05460	9.1
293.06555	21.9
305.06534	15.1
317.06519	1.9
335.07590	3.7
353.08466	3.7
418.08850	1.0
430.98257	0.9
515.21179	4.1
515.38129	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
61.02925	1.9
69.03433	2.2
70.06586	1.1
70.52914	2.1
81.03429	1.4
85.02888	6.3
86.09718	2.6
97.02907	2.3
100.11248	2.1
102.51026	0.9
105.07017	1.1
113.87916	0.9
126.92181	0.9
127.03893	1.8
131.04938	3.1
135.04440	1.8
137.05992	2.8
145.02869	3.1
145.04878	0.9
146.03589	5.2
159.04420	2.7
161.02420	1.3
161.05978	7.8
163.03981	5.4
175.07632	1.2
177.05478	6.4
187.03911	3.8
189.05440	3.0
191.03406	4.4
191.07112	2.7
201.05467	1.6
202.02615	5.9
203.07068	1.9
209.04477	1.0
215.03430	3.1
217.04973	100.0
219.06544	9.7
229.05003	5.4
231.06541	1.4
233.04408	1.8
243.06558	2.3
245.04489	11.7
247.05992	9.7
273.07513	1.8
275.05496	9.2
293.06561	21.0
305.06531	12.7
317.06601	1.6
335.07544	5.2
353.08615	6.1
515.21423	1.2
515.37939	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	514.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.7
57.07071	2.4
58.06607	14.6
59.44009	1.2
60.04526	3.9
67.05510	3.6
69.07068	4.5
70.06620	1.5
71.55222	1.5
79.05502	2.8
81.07063	7.4
83.04984	13.1
84.05291	1.9
84.08145	4.9
85.06539	4.0
89.06035	1.8
91.05471	2.6
93.07029	8.3
95.04971	1.3
95.08600	8.4
100.07637	3.7
105.07034	8.6
107.08601	12.7
109.06521	14.0
109.10149	8.5
111.08089	5.4
112.07607	2.2
119.08587	9.4
121.10146	10.8
123.08076	3.8
123.11720	4.6
125.09672	3.4
126.09187	3.8
131.08627	3.8
133.10149	9.7
135.11700	9.4
137.13181	2.0
143.08624	2.3
144.10226	2.6
145.10146	5.9
147.11697	6.4
149.09637	2.4
157.10152	3.7
159.11742	5.8
161.13297	3.3
163.11121	1.5
171.11745	4.6
173.13295	7.0
175.14880	4.9
183.11722	3.0
185.13327	4.3
187.14880	4.8
189.16429	3.8
197.13313	2.6
199.14813	3.4
201.16452	4.6
203.17941	1.5
211.14946	1.5
213.16452	2.1
217.15880	1.7
225.16490	2.2
225.49576	1.5
227.18007	2.6
229.19470	2.3
241.19479	2.4
243.21149	2.9
257.26715	1.4
265.19705	1.7
269.19241	1.4
284.26831	2.2
295.24545	2.4
297.25684	2.8
335.27350	3.9
353.28516	10.4
371.29532	3.1
383.29211	1.3
416.20444	1.3
437.33569	2.9
455.35098	3.7
478.37476	1.5
496.38147	2.2
513.50751	2.0
514.38770	100.0
514.49933	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	514.3893
Annotation	Daphmacropodine
Peak:m/z	Relative Intensity
55.05517	3.9
56.58594	0.3
57.07086	0.5
58.06605	19.5
60.04520	0.9
67.05500	1.5
69.07068	1.6
69.42513	2.5
72.08149	0.6
78.22506	0.3
78.47024	0.4
79.05492	0.9
81.07068	2.5
83.04989	26.2
83.08606	0.6
84.05330	0.7
84.08144	0.4
85.02913	0.6
91.05460	1.8
93.07052	2.6
95.08045	0.6
95.08617	5.9
97.06512	0.7
98.21567	0.7
100.07618	4.7
105.07018	2.6
107.08608	3.5
109.06509	1.0
109.10164	3.2
111.08096	0.6
114.09183	0.6
119.08574	3.6
121.10149	3.3
123.08070	5.5
123.11754	1.3
125.09624	0.9
131.08566	1.5
133.10104	2.3
135.11699	3.2
143.08597	0.9
145.10127	3.0
147.11711	1.9
149.09630	3.6
149.13332	0.9
157.10121	1.4
159.11693	3.2
161.13260	2.4
163.14825	0.4
169.08682	0.3
169.10118	0.5
171.11719	1.5
173.13306	2.3
175.14841	1.2
183.11658	0.7
185.13287	2.0
187.14836	2.3
189.16376	0.7
197.13286	0.7
199.14806	1.8
201.16376	1.0
211.14828	0.8
213.16454	1.2
215.17952	0.7
227.17972	1.2
229.19557	1.5
239.17920	0.5
241.19589	1.2
253.19637	0.7
255.21112	1.3
257.22864	0.4
267.21143	0.4
269.22842	0.5
281.22778	0.5
285.21671	0.4
295.24283	0.6
297.25681	2.5
313.25082	0.5
315.26862	0.4
321.25830	0.5
339.26868	1.2
381.27890	1.3
383.29364	0.6
397.30972	0.7
437.34149	7.9
455.35257	4.9
496.38098	0.6
514.38953	100.0
515.39429	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3896
Annotation	Daphmacropodine
Peak:m/z	Relative Intensity
53.03935	0.7
55.05515	4.1
58.06605	20.9
60.04521	1.9
67.05509	2.4
69.07072	1.7
70.28368	2.0
72.08140	0.8
79.05493	1.9
81.07053	4.3
83.04986	31.1
83.08654	0.6
84.08111	0.6
85.02913	0.8
89.06044	0.9
91.05497	1.7
93.07069	3.3
93.56358	0.6
95.08609	7.6
99.61267	0.5
100.07639	5.4
105.07039	2.9
107.08614	5.0
109.06558	0.8
109.10174	3.7
114.09190	0.5
119.08600	4.3
121.10150	3.2
123.08080	6.3
125.00556	0.6
131.08594	2.2
133.10162	3.4
135.11687	3.7
137.09688	0.6
139.07581	0.5
143.08627	1.1
145.10130	2.8
147.11703	1.8
149.09634	4.1
149.13263	1.1
155.08592	0.7
157.10150	1.5
159.11737	4.1
161.13232	2.9
163.14891	0.7
171.11736	2.2
173.13298	2.2
175.14867	1.3
183.11736	1.4
185.13269	2.5
187.14873	2.7
187.95621	0.6
189.16512	1.2
196.74918	0.6
197.13309	0.9
199.14914	1.1
201.16484	1.8
211.14874	1.0
213.16475	2.1
215.17967	1.7
225.16263	0.6
227.18057	1.6
229.19545	1.9
237.16406	0.8
241.19572	1.4
243.21112	0.6
255.21051	1.3
269.22476	0.7
297.25845	2.3
321.25711	0.8
339.26883	1.5
381.27896	1.0
383.29553	1.4
437.34219	8.5
455.35199	4.0
458.60074	0.7
514.38965	100.0
515.39093	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.0
55.43453	0.4
57.03425	0.4
57.07072	0.4
58.06604	21.4
60.04520	1.6
60.06406	0.3
62.80003	0.3
65.03990	0.3
67.05512	2.7
69.03424	0.8
69.07065	2.0
69.43024	1.1
69.43449	1.5
72.08154	0.8
79.05508	1.7
81.07064	2.9
83.04989	33.0
83.08620	0.9
84.08159	0.5
85.02914	1.1
85.06570	0.4
91.05472	1.8
93.07053	3.9
95.04977	0.8
95.08616	6.4
97.06544	0.9
97.10141	0.4
100.07626	4.5
105.07024	3.3
107.08605	5.0
109.06518	1.1
109.10160	4.0
111.04464	0.6
111.08098	0.9
111.11717	0.4
114.09209	0.6
117.07014	0.9
119.08585	4.2
120.47092	0.4
121.10136	4.3
123.08076	6.9
123.11725	1.7
126.86829	0.4
129.07077	0.5
131.08592	2.3
133.08499	0.3
133.10139	2.7
135.11684	3.4
139.11194	0.5
141.03101	0.3
141.09157	0.6
143.08589	1.4
145.10114	3.2
147.08028	0.5
147.11705	2.7
149.09628	4.1
149.13306	0.9
157.10106	2.0
159.11700	3.9
161.13283	3.2
163.14822	0.4
167.40074	0.3
169.10222	0.4
171.11679	1.7
173.13234	2.7
175.14847	1.8
181.10144	0.5
183.11707	1.0
185.13287	2.4
187.14851	2.6
189.16403	1.0
197.13210	0.9
199.14886	1.7
201.16400	0.9
203.14380	0.4
209.13193	0.6
211.14894	1.0
213.16449	1.8
214.17110	0.4
215.18088	1.0
225.16405	0.7
227.17982	1.3
229.19438	2.0
239.18010	0.7
241.19589	1.3
243.21080	0.9
255.21078	1.5
257.22824	0.5
265.19534	0.5
295.24036	0.4
297.25809	2.7
315.26810	0.5
321.25806	0.9
339.26852	1.6
365.28430	0.5
381.27939	1.0
383.29410	0.9
397.30963	0.5
401.32104	0.4
437.34207	7.6
449.07019	0.4
455.35275	5.1
496.38364	0.5
514.38947	100.0
515.38800	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01864	1.2
55.05500	3.5
57.03436	2.6
61.02909	2.3
67.05508	6.0
67.68879	1.1
69.03424	2.0
69.93248	4.9
77.99357	1.0
79.05495	7.7
81.03423	67.3
81.07049	5.6
82.79906	1.0
83.04962	3.7
83.08624	16.9
85.02891	2.8
91.05491	9.2
93.07041	3.3
95.04975	19.9
95.08611	2.0
97.02879	3.0
97.06551	1.1
97.94703	1.2
105.07050	8.3
107.04952	4.9
107.08601	3.0
109.06518	2.5
109.10151	1.4
111.04410	1.6
111.08084	8.5
111.60704	1.2
118.51122	1.3
119.08582	7.6
121.06491	1.2
121.10131	4.3
123.04446	1.7
129.07001	5.9
131.08571	4.8
133.06512	3.8
133.10121	4.3
134.15385	1.1
135.08121	1.1
135.11710	1.5
137.09599	1.2
145.10133	1.7
147.08072	2.2
147.11671	5.4
149.09625	3.5
157.10115	7.3
165.12779	1.3
171.70047	1.1
175.11209	10.3
193.12251	58.8
211.13295	4.2
235.13243	3.5
258.08383	1.2
259.13293	1.3
267.15918	30.8
285.16977	100.0
299.18555	1.9
301.14279	3.4
309.16992	6.9
319.15414	1.9
337.16504	3.5
351.18030	1.7
355.17560	1.3
363.17834	2.6
373.14050	5.4
393.18921	2.5
398.06747	1.3
418.17841	1.3
429.21497	1.6
515.21130	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.4
67.05504	2.5
69.03404	0.6
69.07051	2.0
69.34388	1.3
69.34778	5.2
72.19225	0.7
79.05501	4.4
81.03452	0.6
81.07069	7.7
83.04963	2.1
83.08618	1.5
85.02906	2.5
86.06068	0.6
91.05495	4.1
91.61846	0.6
93.07044	5.9
95.04990	0.8
95.08624	5.5
97.02869	0.6
105.07035	5.8
107.08603	9.7
109.06543	0.7
109.10172	8.7
111.08076	0.9
117.07015	1.2
119.08590	5.7
121.10146	5.5
123.08085	1.0
123.11747	3.2
126.89359	0.6
127.03956	1.1
129.06998	0.8
131.08575	2.1
133.10141	5.8
135.08095	3.7
135.11699	25.1
137.09637	1.9
143.08548	1.4
145.10133	3.7
147.11690	6.0
149.13264	3.1
151.11226	1.1
157.10161	3.2
159.11714	6.0
161.09612	0.7
161.13277	9.1
163.11151	1.3
163.14873	0.9
169.10243	0.8
171.11725	2.2
173.13284	2.7
177.12761	2.5
183.11742	0.9
185.09647	0.7
185.13246	2.6
187.14804	2.1
187.57149	0.6
189.12772	1.8
189.16379	1.1
191.14381	2.3
199.14813	3.1
201.16479	1.1
203.14313	0.8
204.12665	0.6
211.14749	0.7
214.17998	1.8
215.17963	7.9
217.15910	3.8
222.00595	0.6
225.16383	1.1
227.17905	6.9
233.18964	1.3
277.12033	0.8
281.22641	10.2
299.23709	100.0
300.23767	0.9
317.24771	2.8
335.25827	32.9
416.22940	1.0
510.75555	0.9
514.30261	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
63.00164	0.4
65.03931	0.8
69.04594	0.4
69.18164	0.4
70.06589	1.1
71.54634	0.7
79.05499	0.7
81.03432	0.7
81.07041	0.4
82.06618	0.5
84.04535	0.5
85.02905	1.8
91.05496	1.6
94.04198	1.8
97.02880	0.7
100.07656	0.8
107.04967	2.4
108.05770	1.2
119.04967	0.5
121.06462	0.6
122.03675	3.8
131.04910	0.5
135.04424	1.3
136.06169	0.4
137.05984	100.0
145.05011	0.5
147.04378	1.0
149.05933	0.8
151.07550	98.1
158.35147	0.5
161.05998	0.5
163.07576	0.6
179.07062	2.2
193.08653	0.9
195.08072	1.2
196.08885	0.7
216.80994	0.4
223.07428	0.5
227.10664	1.7
248.09189	1.0
254.70219	0.4
255.10173	1.0
256.10995	0.9
259.65833	0.5
272.10275	1.2
287.12796	8.1
299.10153	0.4
299.12790	4.0
306.11429	0.6
317.11020	0.6
317.13922	4.1
327.14465	0.4
514.18811	0.6
514.29248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17701	0.9
52.54755	1.0
53.03939	1.4
55.05495	2.2
56.87458	1.1
57.03433	3.3
61.02915	1.5
67.05502	7.0
67.97520	1.0
69.03413	2.2
69.07071	1.1
70.42585	2.3
70.42944	2.0
79.05503	6.9
81.03422	74.0
81.07055	7.1
82.06572	3.2
83.04968	3.6
83.08630	21.2
85.02908	2.4
87.66248	1.2
91.05480	10.7
93.07047	4.7
95.04975	21.4
95.08591	3.9
97.02895	3.5
98.21329	1.2
99.08120	1.0
100.07627	5.2
105.07034	7.0
107.04296	1.1
107.04942	7.3
107.08611	2.6
109.02896	1.1
109.06499	2.4
109.10099	1.2
111.04410	1.3
111.08085	11.0
115.05445	1.6
119.08582	9.3
119.25782	0.9
121.06522	1.0
121.10159	4.0
123.04417	1.6
125.43935	1.2
127.03954	1.4
129.07030	4.9
131.08582	6.2
133.06483	1.7
133.10130	4.7
142.07771	1.9
145.04878	1.0
147.08029	2.1
147.11681	5.6
149.09639	4.8
157.10143	10.6
163.11247	1.2
164.10710	3.9
165.12741	1.3
175.11162	11.5
192.10188	3.8
193.12254	61.8
211.13315	5.6
235.13345	2.7
263.10083	1.3
267.15939	43.8
285.16983	100.0
301.14230	2.4
309.16937	10.7
313.11807	3.1
323.12454	3.2
334.88730	0.9
341.11282	2.0
351.17902	1.6
363.18045	3.8
373.14050	6.8
375.17966	2.0
393.18906	1.6
411.20178	1.9
419.11017	1.1
429.21390	6.5
482.18839	1.2
514.21399	3.8
514.29968	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	514.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31155	1.4
55.05505	2.1
57.03424	1.3
62.56467	1.4
65.03953	1.9
67.05508	6.8
69.03426	2.3
69.07076	2.1
70.06593	2.0
71.55764	1.9
72.08157	2.4
79.05499	5.2
81.03411	3.2
81.07058	3.1
81.40913	1.6
83.04964	2.9
84.08116	2.0
85.02901	4.1
88.80482	1.5
91.05473	4.1
93.07037	4.6
94.06564	12.7
95.04981	1.9
95.08610	2.3
96.08118	7.6
97.02876	2.9
98.06020	1.5
105.07022	4.1
106.06519	2.1
107.07327	1.7
107.08604	2.9
109.02879	2.6
109.06551	1.6
116.06337	1.6
117.06998	1.8
119.08591	5.0
120.08115	3.5
121.10156	1.9
122.06061	3.0
122.09664	4.3
123.11626	1.9
124.07594	7.9
126.39072	1.5
127.03914	3.8
129.06966	2.0
131.08572	2.3
133.10112	3.9
134.06049	9.4
135.08069	1.6
136.07573	4.3
138.05502	2.2
138.09096	2.3
140.07063	2.1
143.08549	2.8
145.10104	2.4
147.08006	2.6
147.11725	1.9
148.07570	7.3
149.09616	2.1
150.05502	25.1
152.07072	79.7
157.10112	3.6
159.11696	2.4
161.05959	1.8
161.09578	2.0
164.07016	2.6
166.08681	11.8
168.06575	13.2
171.11722	1.9
173.13208	1.9
173.41814	1.5
174.09114	1.7
176.07063	2.3
180.06451	3.1
192.06630	3.1
194.08141	100.0
197.10753	1.8
199.08621	2.5
199.12396	3.3
210.07680	2.5
212.09419	3.5
213.10114	1.5
213.12711	3.3
215.11885	1.6
225.10237	3.2
227.08240	2.0
227.11807	19.1
228.12543	2.5
231.13762	4.0
241.09776	4.5
242.10545	4.6
243.11293	3.5
249.14841	1.8
253.09773	2.5
255.11375	15.7
257.12933	2.8
259.14423	9.0
266.08267	3.1
267.11261	1.5
269.13068	2.3
273.12286	6.7
283.10794	1.9
285.12396	4.2
287.13849	14.9
295.10681	2.6
297.12326	5.9
298.10611	1.8
299.23694	1.9
301.11798	5.8
303.13373	14.3
311.10104	2.7
313.11786	2.8
315.13385	99.0
317.24994	2.0
325.12561	2.1
327.13464	1.7
331.13214	1.8
333.14420	5.8
343.12918	5.4
347.15933	10.2
355.12683	1.8
373.13867	7.2
389.13208	2.4
418.17392	2.4
436.18341	3.5
464.17963	6.2
468.21103	6.7
478.19635	3.1
496.20859	53.3
514.20898	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	513.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	14.5
58.06600	5.4
67.05502	7.9
69.07033	3.9
69.49767	16.1
77.93109	2.3
79.05499	3.6
81.07063	4.3
81.81626	2.0
83.04990	100.0
91.05466	3.3
93.07040	6.0
95.08624	6.3
97.14993	2.1
98.21551	4.5
105.07056	6.0
107.08599	6.9
109.10166	7.1
119.08591	6.1
121.10107	4.3
123.08075	2.5
123.11714	3.9
125.09658	5.6
127.73244	2.2
132.46574	2.1
133.10156	6.1
135.11752	3.1
145.10127	2.7
147.04419	4.4
147.11684	5.0
149.09656	11.0
157.10197	2.2
159.11665	4.9
161.09671	2.2
161.13216	5.1
171.11713	2.1
173.13200	2.9
175.14845	4.4
177.12637	4.2
185.13326	5.1
187.14819	3.9
199.14880	3.0
223.00478	2.5
251.05870	2.4
331.26175	2.5
339.26785	4.5
417.31442	3.0
435.32687	19.7
472.58286	2.6
513.36981	6.5
513.50525	6.1
514.38580	13.4
515.12305	2.3
526.17065	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	513.3582
Annotation	Alisol O
Peak:m/z	Relative Intensity
53.70295	0.7
55.05516	14.6
57.07075	1.2
67.05516	4.8
69.03423	1.3
69.07069	4.5
69.76720	1.3
69.77134	2.4
79.05502	2.3
81.07078	3.9
83.04989	100.0
83.08621	0.7
85.06541	1.2
91.05494	3.8
93.07047	5.6
93.88553	0.6
95.04977	1.6
95.08618	6.8
97.06561	1.1
97.10199	0.7
98.20834	1.1
105.07049	3.8
107.08601	7.9
109.06509	4.2
109.10161	5.1
111.08100	1.9
113.06030	0.6
117.07038	1.1
119.08596	6.6
121.10152	5.4
123.08079	12.5
123.11748	2.7
125.09655	3.6
129.07019	1.0
131.08585	3.6
133.10139	4.3
135.08075	1.4
135.11697	6.7
137.05945	0.8
137.09709	0.9
137.13289	1.7
143.08575	2.7
145.10124	7.6
147.11722	4.0
149.09641	2.2
149.13297	1.8
153.09099	1.5
155.08681	0.7
156.09341	0.7
157.10193	4.7
158.11006	0.6
159.08105	0.7
159.11699	6.6
161.09671	1.1
161.13280	3.7
163.11240	2.7
163.14876	0.8
165.12737	0.7
167.08644	0.6
168.09224	1.0
169.10193	2.2
170.10950	1.2
171.11745	3.9
172.12500	0.8
173.13257	5.7
175.11218	1.9
175.14885	1.9
179.14273	0.7
183.11703	3.6
185.13316	5.8
187.14835	9.7
189.16431	0.7
191.14400	2.6
193.12228	4.9
195.11761	1.5
197.13297	3.1
199.14874	2.8
201.12772	0.9
201.16528	1.5
203.14352	0.7
205.10194	0.7
207.11665	0.9
209.13342	2.1
211.14923	1.3
213.12772	1.2
213.16426	1.3
217.15840	1.0
221.13324	0.7
223.14813	1.3
225.16472	1.7
227.18007	1.4
229.19612	0.8
237.16411	1.8
239.18044	1.1
241.16055	0.7
241.19553	1.2
251.14410	0.7
251.17931	1.6
253.19629	1.3
255.21129	1.3
263.18237	0.7
267.21021	0.8
271.20407	0.9
273.22150	1.4
279.21082	1.0
281.19061	0.9
291.21295	1.0
293.22574	1.2
295.24268	1.7
311.23685	1.2
313.25287	1.2
321.25690	5.2
323.27301	0.9
333.25662	0.8
335.27319	2.9
337.25406	5.0
339.26849	17.3
340.27750	1.3
341.25104	1.2
341.28448	1.3
351.26910	1.5
353.28427	3.4
355.26392	5.0
361.25528	1.0
369.28149	2.9
379.26248	1.5
387.29199	0.9
393.24457	0.8
397.27856	0.7
407.33405	0.9
417.31412	3.9
435.32648	19.9
453.33716	24.3
471.34787	1.4
472.34979	1.8
495.34503	3.8
513.36249	3.8
513.50610	0.9
529.59985	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01875	1.5
55.05510	4.1
57.07076	1.6
58.06601	1.8
66.80770	1.0
67.05518	6.3
69.03429	3.5
69.07062	2.8
70.60768	2.6
71.05013	1.6
79.05492	6.7
81.03416	10.2
81.07055	8.9
83.04980	5.8
83.08623	1.6
91.05485	7.4
93.07055	9.0
93.18755	1.0
95.04989	8.3
95.08620	10.5
97.06538	3.0
97.10181	1.0
101.83937	0.8
103.05460	1.0
105.07053	11.1
107.04985	4.0
107.08596	10.4
109.06528	6.0
109.10162	5.0
111.08094	1.6
117.07038	3.7
119.08596	12.8
121.06516	4.2
121.10164	4.4
123.08066	2.3
123.11736	1.2
125.09640	1.2
127.36123	0.9
128.06235	3.4
129.07014	4.7
130.07669	0.9
131.04948	9.5
131.08572	10.8
133.06517	1.2
133.10153	7.3
135.08049	2.9
135.11755	1.3
137.09645	1.5
141.07008	2.4
142.07791	3.7
143.08594	11.3
145.06480	4.0
145.10141	11.7
147.08047	8.9
147.11714	2.4
149.09653	3.4
151.11395	1.2
155.08575	7.5
156.09352	3.3
157.10147	12.8
159.08058	5.2
159.11681	12.0
161.09599	9.9
161.13264	2.0
165.07002	1.4
167.08617	2.7
168.09369	1.6
169.10130	7.3
170.10991	1.4
171.08035	2.2
171.11703	12.0
173.09651	12.6
173.13280	6.8
175.11220	3.7
175.14870	1.3
179.08582	2.0
180.09309	2.0
181.10112	4.6
182.10985	2.3
183.08138	1.3
183.11691	15.6
185.09718	1.9
185.13268	10.2
187.11177	2.5
187.14810	4.4
189.12750	1.7
192.09378	1.4
193.10136	4.3
194.10828	2.1
195.11719	9.4
196.12460	2.0
197.13307	12.3
199.11153	2.1
199.14859	6.2
201.12755	5.1
203.14377	2.2
206.10956	1.1
207.11749	2.6
208.12469	2.2
209.13292	8.3
211.11234	1.1
211.14838	4.5
212.15120	1.2
213.12784	1.5
213.16600	1.0
214.17047	1.1
215.14388	3.4
217.15988	2.0
220.12495	1.2
221.13300	3.6
222.14009	1.3
223.11316	1.7
223.14835	7.4
225.12746	2.1
225.16451	3.6
227.14375	1.2
227.20140	1.6
233.13353	2.3
233.15553	1.3
235.11272	1.2
235.14854	3.8
237.12769	1.7
237.16451	6.1
239.17950	1.8
247.14864	2.3
249.16420	2.0
250.17027	1.2
251.14214	2.3
251.16101	4.5
252.52635	1.2
253.15901	8.9
253.18527	1.1
253.19507	1.1
255.17369	2.3
263.14581	1.4
263.17810	2.3
265.19598	4.9
267.17490	6.5
277.16223	1.1
277.19675	1.8
279.17441	1.3
281.19125	1.7
283.16968	1.1
283.20547	2.3
287.17715	1.1
289.15894	2.5
289.19415	1.5
291.17462	5.1
291.21060	2.6
293.19031	5.3
303.17529	1.9
304.18024	1.4
309.22134	5.5
317.19058	4.8
319.20667	18.9
331.20621	2.4
331.24377	1.2
333.22073	1.6
335.20044	4.4
346.22879	3.1
347.23615	6.0
349.25302	3.2
359.23746	32.2
365.24884	1.3
377.24786	100.0
395.25748	7.7
413.26846	7.5
480.12680	1.1
513.31213	1.2
513.38092	12.6
513.50317	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
54.31363	0.7
55.01876	18.6
55.05507	2.2
65.03934	1.8
67.05495	3.5
69.03440	4.2
69.07050	1.3
71.04997	1.2
71.55067	0.9
71.55489	0.9
79.05492	7.5
81.03422	7.5
81.07067	4.2
83.04974	3.2
84.08111	0.8
85.06544	1.1
91.05485	29.7
93.07053	7.4
95.01345	1.2
95.04973	11.5
95.08607	3.4
97.06560	1.5
103.05457	2.5
105.07034	18.5
107.04942	6.3
107.08591	7.3
109.06510	6.6
109.10174	1.0
111.08085	1.0
113.05973	1.0
113.78035	0.7
115.05450	8.3
116.06233	3.1
117.07018	17.5
119.04970	1.7
119.08589	42.9
121.06528	4.3
121.10141	3.5
123.08080	2.3
127.07558	0.8
128.06224	5.7
129.07007	25.6
130.07784	3.5
131.04924	0.9
131.08574	19.7
132.05679	1.8
133.06500	4.3
133.10150	10.0
135.08043	4.3
141.06966	4.3
142.07791	5.5
142.08733	1.1
143.08562	12.9
144.05710	1.8
144.09428	1.0
145.06490	11.6
145.10139	15.7
147.08054	100.0
149.05986	1.1
149.09615	12.4
151.07622	1.3
153.06978	1.8
154.07794	2.6
155.06017	1.3
155.08559	7.0
156.09328	6.8
157.06491	2.4
157.10143	21.8
158.07263	2.7
159.08066	41.1
159.11691	20.6
161.05988	1.4
161.09628	27.6
163.07555	30.5
163.11203	1.9
165.06953	2.2
165.09166	1.0
166.07831	1.5
167.07127	1.0
167.08568	2.4
168.09354	3.2
169.10143	17.8
170.10896	2.5
171.08064	5.4
171.11693	13.6
172.08868	2.3
173.06053	2.6
173.09628	24.9
173.13280	6.2
175.07553	6.5
175.11156	3.8
177.09103	2.1
178.07692	0.9
179.08546	3.2
180.09343	1.2
181.08746	1.0
181.10052	4.3
183.08072	3.4
183.11705	24.5
184.08788	1.5
185.09648	11.8
185.13246	6.6
187.07574	2.6
187.11200	11.5
189.09123	3.8
191.08890	1.0
191.10641	3.7
192.09378	1.5
193.08617	1.1
193.10136	4.8
193.11995	1.5
194.10861	1.0
195.08087	1.8
195.11678	3.8
196.08832	2.2
197.09619	7.4
197.13307	2.3
198.06706	1.1
198.10509	0.9
199.11183	10.8
201.09138	8.9
201.12773	10.2
203.08800	1.3
203.10718	4.0
205.10201	2.0
205.12294	3.1
206.10938	2.5
207.11714	4.3
208.08810	1.2
208.12567	1.2
209.09641	5.0
209.13171	1.8
210.10362	1.3
211.11192	10.0
213.09172	3.1
213.12726	4.0
215.10622	6.5
217.10338	1.4
217.12282	3.0
217.66319	0.9
219.11877	1.4
219.13757	1.1
220.12408	1.1
221.13268	4.5
222.10365	2.0
223.11249	6.5
223.14815	0.8
225.09067	2.3
225.12709	4.0
227.10663	4.4
229.12195	8.7
230.10916	2.0
231.11725	2.3
231.13838	2.8
232.12592	1.8
233.09605	1.8
233.11552	1.7
233.13307	2.1
233.15407	3.4
235.11186	3.3
235.14896	1.3
237.12740	5.8
239.10663	3.0
239.14365	1.8
241.12276	2.1
242.10803	1.0
243.11777	1.2
243.13762	4.5
244.12453	1.0
245.09596	1.5
245.11771	2.5
245.15437	1.2
246.14043	1.0
247.11107	1.7
247.13255	2.3
248.11931	1.6
249.12753	4.3
249.15018	1.0
251.10539	1.1
251.14441	2.1
253.12263	1.1
255.13873	1.6
256.12451	0.8
257.09448	1.2
257.13306	2.8
258.10342	1.4
258.14130	1.0
259.11124	1.6
259.13293	13.8
259.15387	1.0
260.12024	2.4
261.12717	1.3
261.14713	4.6
262.13412	0.9
263.10706	2.1
263.14523	3.7
265.12424	1.2
265.15778	1.3
270.10394	1.4
271.10840	1.4
271.13416	3.3
272.15710	2.1
273.12778	2.7
274.13470	1.5
275.14545	4.1
277.12216	2.1
277.15100	0.8
279.13937	1.0
285.12701	2.8
286.13434	2.1
287.14331	2.5
287.17929	1.6
289.16232	1.7
291.13699	1.4
293.15479	1.8
298.13559	1.8
299.14160	4.1
300.15210	2.2
301.15845	2.1
303.13879	1.4
303.17303	1.1
305.15576	1.1
305.18958	1.5
309.12411	1.2
310.13452	1.0
313.15796	2.6
314.12961	0.8
314.16617	1.8
315.13922	0.9
315.17368	10.1
316.18079	1.2
317.15253	2.1
319.17068	1.5
323.16397	0.9
325.16028	2.4
328.14597	1.5
329.18939	6.1
331.16953	1.8
333.14896	0.9
333.18460	4.7
335.16400	1.6
342.16464	1.0
343.16956	4.1
347.16406	1.3
347.20047	4.0
349.17911	2.0
357.18430	8.2
359.16464	1.6
361.18002	3.2
363.19568	1.1
367.17462	0.9
369.17123	1.6
373.17889	1.1
375.19550	7.7
385.18048	3.1
389.21121	9.9
393.20581	1.3
395.18536	1.3
399.19495	1.6
403.19128	6.6
407.22305	6.9
409.19858	1.1
417.20621	10.3
421.20309	4.0
425.23166	2.4
435.21701	18.5
435.31763	1.1
453.22806	8.8
481.22128	1.3
513.24847	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	513.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33912	1.2
53.03937	2.9
55.01871	16.9
55.05500	3.7
60.03768	1.0
65.03947	2.0
66.53813	1.1
67.05513	8.2
69.03427	4.1
69.07064	1.3
70.98972	2.9
70.99368	1.2
71.79739	1.1
74.35780	1.0
79.05496	8.8
81.03415	12.9
81.07063	6.5
83.04981	3.0
91.05485	31.0
93.07020	9.6
95.04967	11.9
95.08609	4.3
97.06531	2.4
103.05450	3.6
105.03395	1.7
105.07022	20.6
107.04965	5.9
107.08610	8.5
109.06528	6.7
109.10170	2.7
110.49200	1.1
115.03937	1.3
115.05427	8.4
116.06290	1.3
117.07023	19.5
119.04971	1.7
119.08582	55.3
121.06508	5.3
121.10141	4.4
123.08081	2.9
124.84904	1.1
125.96706	1.2
128.06238	8.2
129.07016	22.8
130.07758	3.5
131.04961	2.5
131.08572	22.9
132.05740	2.4
133.06491	5.2
133.10135	12.2
135.08054	8.3
141.07001	4.7
142.07796	6.4
143.08562	14.0
144.05632	2.0
144.09407	2.9
145.06490	14.4
145.10139	18.4
146.07257	1.7
147.08052	100.0
147.11694	2.8
149.09627	13.3
151.07555	1.8
153.07007	2.8
154.07773	3.8
155.06085	1.5
155.08583	9.1
156.09367	6.1
157.06512	2.7
157.10138	27.6
158.07265	5.2
159.08061	45.4
159.11703	23.9
161.05997	3.1
161.09624	30.5
163.07553	23.8
163.11218	2.2
165.07043	4.1
165.09149	1.6
166.07811	1.6
167.08546	2.3
168.09366	4.5
169.10127	18.2
170.10901	2.5
171.07996	6.1
171.11690	20.5
172.08853	2.5
173.05949	3.5
173.09642	24.2
173.13231	7.0
175.07562	10.5
175.11191	5.6
177.09140	3.1
179.08566	3.8
181.08673	1.7
181.09998	5.7
183.08131	3.9
183.11707	28.7
184.08781	1.6
185.09651	13.8
185.13191	8.3
186.10361	1.8
187.07571	3.6
187.11208	13.0
189.09117	3.2
191.10724	3.0
192.09270	2.0
193.10159	3.0
193.12198	1.7
195.07941	2.1
195.11705	6.2
196.08861	2.9
197.09613	10.3
197.13307	3.5
198.10466	1.7
199.07651	1.5
199.11166	9.9
201.09167	8.6
201.10916	1.3
201.12779	13.1
202.13353	1.3
203.08731	1.8
203.10635	4.2
205.10284	2.6
205.12173	2.9
206.10934	2.9
207.11684	5.1
208.08736	1.6
209.09610	4.2
209.13280	2.6
210.10422	1.9
211.11208	9.6
213.09052	3.8
213.12715	3.6
215.08847	1.9
215.10672	8.0
217.10283	2.7
217.12253	4.0
218.10756	1.5
219.11819	2.8
219.13722	2.0
220.12457	2.2
221.09802	2.4
221.13263	4.9
223.11226	7.2
223.14885	2.4
225.09315	1.5
225.12704	3.9
227.10616	5.8
229.12254	12.5
230.10872	2.7
231.11894	2.6
231.13852	2.0
233.11554	2.4
233.13431	2.3
233.15424	4.6
235.11198	3.6
235.14995	2.9
236.11836	1.5
237.12740	5.2
239.10716	3.7
239.14252	2.1
241.12366	3.0
243.13838	5.5
244.12492	2.1
245.09514	2.7
245.11592	1.9
245.15474	1.6
247.11179	3.0
247.15155	2.5
248.12030	2.4
249.12717	3.0
251.14351	2.4
253.12305	3.0
255.14108	1.7
256.26343	1.7
257.13501	1.7
258.13916	1.6
259.11090	2.0
259.13303	11.2
260.11755	1.6
261.12598	2.9
261.14761	5.8
263.10812	1.3
263.14355	3.4
265.12311	1.6
267.11563	2.2
271.13269	2.7
272.15439	1.4
273.12814	3.5
274.13596	2.4
275.14337	3.7
276.14862	1.3
277.12149	1.4
277.15976	2.3
281.13348	1.6
283.26212	2.3
285.12698	4.5
286.13364	1.7
287.14297	4.8
289.15594	3.9
291.13684	1.5
299.14270	4.2
300.15118	3.6
301.16016	2.7
303.13910	1.8
303.17215	2.0
313.12350	1.4
313.15930	3.9
314.16373	1.7
315.17416	13.0
317.15399	3.4
324.15073	1.9
325.15906	2.1
327.13824	2.2
329.18985	9.9
331.16867	2.3
333.14874	2.2
333.18597	3.3
335.16409	2.7
339.17276	2.2
341.14996	1.9
342.16339	1.7
343.16913	5.5
347.20041	4.9
357.18451	11.6
361.17957	3.3
363.19772	1.6
375.19440	8.2
377.24835	5.9
385.17929	5.4
389.21030	10.5
393.20670	2.4
395.18213	1.7
395.95108	1.3
399.19580	3.0
403.19302	6.4
407.22092	7.7
417.20663	13.3
421.20035	5.2
425.23260	1.7
435.21652	21.4
453.22729	14.8
495.23831	2.9
498.24817	1.3
512.50275	2.5
513.25024	14.0
513.36084	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	513.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42597	1.5
53.03941	3.2
55.01876	20.2
55.05507	5.5
57.03439	3.8
60.04472	1.6
65.03949	1.9
66.34842	1.6
67.05499	14.1
69.03423	5.8
69.07056	3.4
69.29788	10.8
69.30189	2.4
79.05495	15.9
81.03425	14.7
81.07061	14.6
83.04981	4.7
83.08639	2.0
91.05484	47.0
93.07056	13.1
95.04983	22.7
95.08614	5.1
96.40048	1.5
97.02892	1.9
97.06543	1.9
97.10168	2.2
103.05468	13.9
105.07034	23.5
107.04960	11.5
107.08611	13.7
109.06518	6.3
109.10178	6.8
111.08077	2.2
113.06015	2.0
115.05463	11.0
116.06242	3.0
117.07021	19.5
119.04965	3.7
119.08588	51.4
121.06501	8.0
121.10165	5.7
123.08104	3.3
125.09675	1.7
128.06219	8.0
129.05516	2.9
129.07014	27.8
130.07793	3.2
131.04945	25.4
131.08569	40.8
131.09525	2.7
132.05757	2.4
133.06493	7.3
133.10132	18.7
135.08067	6.7
137.09669	1.7
141.07021	8.2
142.07791	12.4
143.08566	19.9
144.05701	3.9
144.09329	5.8
145.06514	19.3
145.10133	21.7
147.08057	97.7
149.09645	18.3
153.07045	2.9
154.07779	4.7
155.08565	8.4
156.09328	8.1
157.06503	3.6
157.10136	39.4
158.07265	3.3
159.08061	100.0
159.11697	71.0
160.08450	1.5
161.06042	2.3
161.09628	38.4
163.07562	10.5
165.07013	3.2
165.09052	2.3
166.07832	2.2
167.07155	3.4
167.08527	3.2
168.09396	4.6
169.10130	33.4
170.10965	4.4
171.08092	8.2
171.11688	36.1
172.08780	3.7
173.06042	7.8
173.09619	27.8
173.11894	2.6
173.13264	18.2
175.07590	15.2
175.11252	4.6
177.09068	3.6
179.08539	3.8
180.09245	1.9
181.10094	6.0
182.07300	1.6
182.10881	2.0
183.08168	4.3
183.11705	37.1
185.09631	11.3
185.13287	8.2
187.07558	2.1
187.11182	18.5
189.09113	7.2
191.10709	4.3
192.09454	2.9
193.10147	5.8
193.12224	3.3
195.07930	2.0
195.11700	5.7
196.08826	3.2
197.09645	15.0
197.13292	5.9
199.11226	14.5
201.09106	6.0
201.12762	15.5
203.10631	2.5
205.10263	2.8
205.12180	2.5
206.10941	2.4
207.11711	4.7
209.09666	5.2
209.13312	4.9
210.10350	3.0
211.11214	9.0
213.09279	2.3
213.12712	5.6
215.10709	7.9
216.09464	1.9
217.08488	2.8
217.10416	2.0
217.12267	5.0
219.07988	1.7
219.11830	2.5
220.12511	2.3
221.09648	3.5
221.13252	5.9
222.10373	2.2
223.11249	5.7
223.14915	2.9
225.12827	10.1
227.10571	8.0
229.10164	2.8
229.12265	17.9
229.14304	3.1
230.10933	2.8
231.09993	2.5
231.11874	2.1
231.13821	5.2
233.09602	3.4
233.13367	2.5
233.15343	18.8
234.10385	2.4
235.11174	6.4
235.14961	3.8
237.12862	10.0
239.10707	2.6
239.14197	2.5
241.12326	3.7
243.11681	2.6
243.13791	6.5
244.12440	2.2
245.09560	2.5
245.13403	3.6
247.11099	3.5
247.13008	8.7
248.11923	2.3
249.12769	5.7
251.14287	4.3
253.12311	2.7
253.15919	2.0
257.13354	3.3
259.11038	3.6
259.13434	4.5
261.12582	2.2
261.14929	14.1
263.14273	5.2
265.15857	2.1
269.17694	1.9
271.11011	2.0
272.12018	2.5
272.15573	2.1
273.12802	3.9
274.13538	2.4
275.14532	2.7
277.12299	2.3
277.15695	1.6
279.13696	3.1
282.14154	1.8
285.12659	5.0
286.13428	2.4
287.14313	3.4
289.16013	3.3
293.15405	1.8
299.14233	4.8
300.15118	4.8
301.12659	1.7
301.15945	4.5
303.13522	1.7
305.18967	2.5
307.13358	2.1
311.16684	3.0
313.15726	2.2
315.17462	16.7
317.15543	2.4
317.19012	3.0
323.16464	3.6
325.15845	2.1
329.19049	6.5
331.16797	2.3
333.18530	9.4
335.16443	2.1
342.16348	2.2
343.16977	7.8
347.16455	2.5
347.20193	6.0
349.18185	2.3
357.18594	8.7
359.20142	1.8
361.18008	5.9
367.18451	3.5
369.16928	7.0
375.19598	13.2
385.18027	4.5
389.21179	17.0
391.22528	4.4
395.18369	1.8
403.18979	11.0
405.21005	2.3
407.22244	17.3
417.20584	12.3
421.20099	2.7
423.27377	2.5
425.23245	5.9
435.21686	36.5
453.22742	17.7
495.23425	8.3
513.24512	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	513.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.9
54.09259	1.7
55.01875	20.8
55.05517	3.5
56.94559	1.7
57.03424	1.8
65.03928	2.5
67.04007	1.7
67.05523	10.7
69.03426	5.5
69.07066	2.5
69.19214	18.2
79.05499	29.0
81.03420	27.1
81.07071	9.2
83.04977	3.6
91.04971	3.1
91.05494	46.1
93.07055	11.9
95.01353	4.4
95.04970	17.3
95.08615	5.4
103.05466	3.9
105.04561	1.9
105.07044	28.4
107.04970	24.2
107.08600	10.4
109.06511	6.2
109.10166	2.0
115.05419	8.5
116.06258	7.4
117.07023	18.6
119.04953	3.8
119.07796	3.3
119.08591	47.8
121.06519	5.5
121.10152	5.2
128.06245	9.3
129.07011	33.3
131.08580	44.1
132.05754	2.8
133.06476	6.9
133.10149	18.8
135.08066	9.1
141.06996	7.4
142.07751	8.0
143.08562	21.3
144.05734	4.8
144.09346	2.2
144.54311	1.8
145.06482	19.7
145.10141	20.5
147.08060	93.6
147.11658	3.2
149.09641	44.6
153.07022	2.3
154.07750	3.2
155.06203	2.6
155.08551	10.1
156.09323	11.1
157.06516	3.0
157.10144	49.4
159.08069	100.0
159.11691	55.4
161.05956	3.5
161.09630	35.9
163.07541	6.7
163.11188	2.4
165.07025	3.6
167.08559	5.9
169.06467	2.2
169.10133	29.0
170.10924	3.2
171.08086	9.7
171.11702	32.5
172.08849	2.5
173.06017	5.9
173.09662	22.4
173.13237	15.7
175.07579	25.0
175.11211	3.6
177.09106	6.6
179.08574	5.6
180.09343	2.3
181.10153	6.1
183.08066	3.3
183.11707	32.6
185.09598	9.8
185.13234	8.9
186.10283	2.2
187.11224	14.6
189.09117	5.2
191.10672	3.6
193.10161	9.4
193.12057	2.0
195.08025	2.9
195.11725	5.7
197.09615	12.6
197.13271	8.4
198.10399	3.4
199.11203	14.8
199.14784	1.9
201.09026	2.8
201.12756	12.5
203.10803	2.3
205.10178	3.1
206.10980	3.4
207.11690	8.1
208.09093	2.0
209.09660	6.0
209.13297	7.7
210.10452	3.0
211.11140	10.9
211.14665	2.2
213.09149	6.0
213.12781	5.3
215.10703	8.2
217.10410	2.3
217.12312	8.1
218.10901	3.0
219.11726	3.3
220.12506	3.9
221.13242	9.8
223.11226	7.6
223.14923	4.1
225.12753	17.4
227.10690	6.0
227.14290	2.4
229.12260	13.1
230.11029	3.0
231.10095	4.9
231.13777	12.6
232.12440	2.5
233.13359	2.8
233.15288	14.3
235.11134	4.9
235.14906	3.1
236.11908	2.8
237.12799	6.7
239.10747	3.0
239.14355	4.2
243.11627	3.0
243.13853	7.8
244.12405	2.0
245.11520	2.7
245.13504	3.2
245.15508	3.4
246.14236	2.3
247.11133	4.4
247.15092	2.9
249.12700	6.5
250.13589	3.3
251.14410	4.8
255.11542	2.7
255.13876	3.6
257.13403	4.2
259.11090	4.5
259.15118	2.2
260.12045	2.0
261.12582	5.0
261.14944	7.4
263.14279	3.0
265.12296	3.2
265.15836	3.6
267.13849	2.4
271.10977	2.1
275.14322	5.6
279.13782	3.1
285.12799	4.9
287.14294	2.2
287.17935	2.8
289.15918	5.1
291.13855	2.4
291.17401	2.0
293.15103	2.8
300.15225	3.9
301.15717	2.5
303.17267	3.6
305.19025	4.0
307.17053	3.0
313.15665	2.8
314.16293	1.9
315.14008	3.0
315.17352	16.0
317.15302	4.5
317.18991	3.0
319.17014	2.4
329.15579	2.1
329.19110	6.9
331.17026	4.6
333.14954	3.1
333.18427	17.8
335.16315	5.8
343.16943	6.9
345.18433	3.2
347.20023	10.9
357.18542	7.9
361.17920	7.5
375.19489	23.3
375.23547	2.2
385.17789	5.4
389.21194	16.2
391.18744	3.6
391.23080	4.4
393.20883	2.2
403.19174	14.3
405.20575	3.2
407.22226	31.1
413.26962	3.6
417.20584	19.8
425.23080	5.0
435.21658	51.2
453.22876	27.6
495.23663	3.5
513.25006	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	513.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06992	1.3
53.03948	2.9
55.01867	1.9
55.05518	3.1
56.84966	1.1
57.03472	1.6
59.05006	2.4
67.05498	5.1
68.99792	2.4
69.03430	12.9
69.07082	2.3
69.71445	1.1
71.05002	2.0
73.02915	1.3
77.03897	1.4
79.05495	6.0
81.03420	11.5
81.07059	8.0
83.04984	18.0
85.02908	13.8
85.06564	2.4
91.05485	11.2
93.07042	12.3
95.04982	4.2
95.08600	3.4
97.02898	18.2
97.06491	1.4
99.04440	3.0
105.03417	1.6
105.07043	12.3
107.08595	31.9
108.78925	1.1
109.02902	13.0
109.06531	6.0
109.10176	3.4
111.04478	2.3
111.08080	1.8
113.06039	2.9
115.05433	2.1
117.07020	5.1
119.08595	13.6
121.06525	22.3
121.10131	3.7
122.64942	1.4
123.04472	1.9
123.08080	1.4
125.05958	1.6
127.03946	8.7
127.07552	1.4
128.06268	1.6
129.07027	2.7
131.08580	9.9
133.06537	1.7
133.10141	8.6
135.08061	59.2
136.94005	1.2
137.06006	3.3
137.09634	2.7
143.08566	4.0
144.09348	3.2
145.05014	1.5
145.06493	4.3
145.10172	7.6
147.08046	5.1
149.06006	2.6
149.09673	5.8
153.09137	2.6
155.08563	2.3
157.06505	1.4
157.10158	3.4
158.10930	3.5
159.08095	7.0
159.11688	18.3
161.09613	6.9
161.13217	2.8
163.07564	21.0
163.11198	2.8
165.09161	1.5
169.10094	1.6
170.10931	1.7
171.08064	2.0
171.11629	3.4
172.08821	4.7
173.09657	9.7
173.13292	17.7
175.07639	2.1
175.11151	1.6
177.12796	2.0
181.10236	1.4
183.11671	3.9
185.09677	1.5
185.13321	2.8
186.10443	8.4
187.11192	38.2
189.09085	2.6
189.12802	3.0
191.07056	19.4
196.08856	2.0
199.07568	1.4
201.12770	28.4
203.14349	5.5
205.12236	19.0
211.11198	5.7
219.13799	22.6
229.12245	43.7
233.62569	1.3
247.13313	100.0
265.14301	2.5
289.21658	5.7
297.21896	2.0
315.23132	1.8
339.56848	1.2
373.16467	6.2
391.17508	38.6
409.18558	5.4
417.16849	2.1
435.18259	2.5
495.19901	2.5
513.21021	6.6
513.28436	2.0
538.69586	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75992	1.3
52.54522	1.1
61.83754	1.5
64.97635	1.4
69.03424	2.3
69.52354	8.8
72.39241	1.2
78.59975	1.4
85.02875	3.3
91.97764	1.3
97.02889	1.9
98.97573	2.4
101.00892	2.4
116.07078	2.0
119.01906	2.3
143.01950	6.6
145.03523	3.0
155.01831	2.1
159.04877	1.4
161.02921	3.1
163.75336	1.8
167.01978	2.0
173.02925	2.5
185.03021	5.1
187.04506	2.0
189.02461	1.9
190.04915	1.6
197.02982	1.8
219.01758	2.0
231.03511	6.7
245.05122	11.4
261.04584	2.3
263.06036	1.9
271.07486	2.9
275.05991	1.7
291.05481	1.6
307.08661	1.9
333.06171	2.2
342.10437	2.8
353.09259	1.6
404.13028	1.4
513.10004	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.5
57.07065	0.8
58.06604	25.3
59.05006	0.3
60.04538	1.4
60.54950	0.2
67.05508	2.8
69.03433	0.7
69.07079	1.9
69.46406	1.9
70.06585	0.3
71.05007	0.6
71.08643	0.5
72.08150	1.0
79.05501	1.5
81.07069	3.5
83.04987	37.8
83.08619	1.2
84.08159	0.6
85.02916	1.2
85.06567	0.4
87.97816	0.3
88.07648	0.8
89.06042	0.9
91.05487	1.9
93.07053	3.6
95.04959	0.4
95.08614	7.5
97.06553	0.9
97.10162	0.7
99.08105	0.6
100.07628	6.1
102.09199	0.6
105.07027	3.6
107.05007	0.4
107.08597	4.0
109.06532	1.1
109.10180	2.6
111.04455	0.8
111.08105	0.7
111.09692	0.2
114.09208	0.9
117.07012	0.8
119.08601	3.7
119.45564	0.3
121.10155	3.8
121.97111	0.3
123.08078	6.7
123.11721	2.0
124.68210	0.3
125.09637	0.9
129.07014	0.6
131.08560	2.6
133.08626	0.8
133.10132	2.9
135.11656	1.4
137.09647	0.8
137.13344	0.4
138.09163	0.3
139.07564	0.3
139.11241	0.4
141.09120	0.6
143.08604	1.4
145.10156	2.4
147.11684	2.0
149.09633	4.1
149.13274	0.8
151.11208	0.6
155.08531	0.7
157.10129	2.2
159.06535	0.8
159.07950	0.3
159.11700	2.3
161.09712	0.4
161.13275	2.8
163.14851	0.7
165.12836	0.7
169.10197	0.8
171.11659	1.5
173.13277	1.8
175.11183	0.5
175.14844	1.0
177.12833	0.6
183.11708	1.4
185.13324	2.2
187.11115	0.3
187.14877	1.2
189.12799	0.6
189.16434	1.0
191.14310	0.3
195.11723	0.8
197.13271	0.8
199.14822	1.4
201.12790	0.9
201.16461	0.7
203.14348	0.6
205.15862	0.4
209.13280	0.7
211.14844	1.0
213.16409	1.5
215.14456	0.4
223.14848	0.4
225.16443	1.1
227.18016	1.5
229.16005	0.3
231.17361	0.3
235.14690	0.4
237.16499	0.4
239.18044	1.1
241.19403	0.4
243.17464	0.8
245.19095	0.6
251.18056	0.5
253.19601	0.7
255.17429	0.3
256.26440	1.0
259.20682	0.8
265.19623	0.8
271.20718	0.9
281.18961	0.5
283.20721	0.6
283.26346	2.0
285.22073	0.5
295.20697	0.6
295.24185	0.6
309.22208	0.4
311.20264	0.6
311.23813	1.0
313.25296	1.5
327.20218	0.7
337.25296	2.0
340.29272	0.3
379.26520	0.7
381.27930	1.5
395.29266	0.8
397.27109	0.4
428.33832	0.3
435.27457	0.4
435.32620	9.0
452.35336	0.5
453.33652	4.6
494.36230	0.7
512.37396	100.0
512.50244	5.0
513.37805	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3739
Annotation	Daphmacrine
Peak:m/z	Relative Intensity
53.03941	0.5
55.01864	0.4
55.05515	5.5
57.03438	0.3
57.07079	1.5
57.11192	0.3
58.06606	25.7
60.04531	1.6
67.05510	2.4
69.03434	0.8
69.07083	2.3
70.06594	0.6
71.08654	1.0
71.55343	0.4
72.08162	1.0
79.05495	1.8
81.07070	3.8
82.37102	0.3
83.04990	41.5
83.08641	1.0
84.08147	0.3
85.02913	1.2
85.06543	0.6
87.94064	0.3
88.07651	1.2
89.06055	1.8
91.05508	1.1
93.07060	4.2
95.04984	0.6
95.08618	7.0
95.37755	0.3
96.08191	0.4
97.06558	1.1
97.10185	0.9
99.08118	0.4
100.07626	5.8
100.62354	0.3
102.09214	0.7
105.07039	2.6
107.08606	3.6
109.06537	1.4
109.10157	3.0
111.08086	0.7
111.11761	0.3
114.09207	0.9
119.08586	3.6
121.06518	0.6
121.10152	3.7
123.08086	7.4
123.11739	1.6
125.09648	0.6
131.08560	2.2
133.08627	1.2
133.10138	3.4
135.08031	0.5
135.11714	1.7
137.09616	0.9
139.07603	0.4
139.11220	0.5
141.09131	0.7
143.08589	1.2
145.10130	3.0
147.11671	1.9
149.09639	3.7
149.13295	0.9
151.11211	0.4
155.08572	0.7
156.09297	0.4
157.10115	1.7
159.11719	3.5
161.09622	0.4
161.13271	2.6
163.11217	0.5
163.14883	0.4
165.12746	0.5
169.10162	1.0
171.11674	1.7
173.13272	2.0
175.14790	1.0
177.12730	0.7
183.11760	1.4
185.13281	2.6
187.14842	1.2
189.12825	0.9
189.16498	1.1
191.14334	0.3
195.11758	0.6
197.13316	0.8
199.14813	1.4
201.12819	0.4
201.16458	0.6
203.14345	0.8
203.18010	0.4
209.13286	0.7
211.14848	1.2
213.16422	1.5
215.18040	0.6
221.13423	0.4
223.14975	0.5
225.16371	1.0
227.17970	1.6
229.19621	0.4
231.17477	0.4
237.16447	0.3
239.17949	0.8
243.17604	0.4
245.19095	0.8
251.18050	0.8
253.19678	0.4
256.26370	2.7
257.19116	0.6
271.20520	0.6
283.20615	0.5
283.26376	3.2
285.18454	0.3
295.20963	0.5
295.24252	0.7
297.22238	0.4
311.20331	0.5
311.23746	1.0
312.38605	0.3
313.25189	1.6
327.20215	0.9
332.70630	0.3
337.25293	1.7
340.29413	0.4
379.26288	0.6
381.28049	1.2
395.29614	0.6
397.27921	0.4
417.31274	0.4
435.32642	9.7
435.38400	0.6
452.35339	0.6
453.33688	5.8
494.36972	0.6
495.38895	0.4
503.01138	0.3
512.37421	100.0
512.50336	6.9
513.37634	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
55.05497	1.8
67.05498	3.3
69.03432	1.7
69.07059	2.3
79.05503	3.4
79.76347	1.0
81.07061	6.5
83.04968	2.4
83.08615	1.1
85.02886	3.1
91.05470	5.1
93.07070	4.6
95.04938	1.2
95.08604	10.2
97.02890	1.0
97.06533	4.3
105.07015	8.0
107.08594	5.3
109.06516	2.7
109.10155	2.6
111.08076	5.4
117.06998	2.5
119.08580	11.1
121.06434	1.2
121.10184	5.4
123.08067	20.5
131.08563	4.9
133.10124	11.1
135.08069	18.5
135.11716	2.0
137.09593	2.3
143.08549	2.6
145.04994	1.1
145.10176	5.8
145.11179	1.2
147.11658	3.9
149.09648	1.9
149.13191	1.1
157.10109	2.8
159.11714	3.7
161.09647	3.0
161.13263	3.0
163.11147	1.5
169.00177	1.0
169.10175	2.4
171.11659	3.5
173.09625	1.1
173.13237	5.9
175.11203	2.8
175.14803	1.2
177.12677	1.0
177.16315	1.1
183.11707	3.0
185.13295	3.9
187.14824	6.2
195.11734	1.1
197.13290	1.3
199.14838	1.6
201.12833	1.6
201.16426	1.2
203.14308	2.9
205.15904	6.9
207.11514	1.1
209.13313	2.2
213.16415	3.1
222.08096	1.0
225.16347	1.4
231.17461	3.8
239.17937	2.9
241.15939	1.2
243.17409	3.2
245.91830	0.9
251.18097	1.3
255.21100	2.5
257.19058	2.2
279.21094	4.5
297.22113	28.3
315.23209	100.0
316.23526	1.5
333.24231	33.9
374.18414	1.6
452.21350	1.9
468.87708	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93102	6.5
53.03934	12.1
55.01876	15.1
55.05510	33.9
57.07083	10.0
67.05494	52.2
69.03431	34.5
69.07065	30.8
69.50607	7.0
71.04986	29.7
79.05497	46.8
81.03408	10.4
81.07055	60.0
83.04974	25.3
83.08598	9.5
85.06591	7.9
91.05480	73.9
91.13857	6.0
93.07040	60.8
95.04961	27.7
95.08618	58.0
97.06525	18.9
97.10179	13.3
105.03403	58.1
105.04503	9.0
105.07027	99.9
107.04954	10.7
107.08598	76.3
108.07234	7.7
109.06535	23.0
109.10153	57.5
111.08059	18.5
115.05471	6.5
117.07011	30.4
119.08595	100.0
121.06496	17.0
121.10146	98.8
122.07319	7.8
123.08091	26.7
123.11689	15.3
125.09627	14.6
128.06210	12.3
129.06995	26.8
131.08563	69.9
133.06361	8.6
133.10130	63.4
135.08061	81.0
135.11678	24.7
137.09630	42.3
141.06944	13.2
142.07777	21.7
143.08582	51.7
144.09239	6.4
145.10120	68.2
147.08070	28.0
147.11710	27.9
149.09625	96.3
149.13234	14.9
151.11185	9.5
154.07832	7.4
155.08556	19.4
156.09361	14.0
157.10147	68.2
159.08072	28.8
159.11694	68.0
160.12422	18.4
161.09663	34.6
161.13225	71.1
163.11182	21.5
167.08676	10.6
167.10500	6.9
169.10193	38.8
171.08092	8.6
171.11632	41.0
173.09650	19.5
173.13298	44.1
175.11121	33.5
175.14825	37.1
177.12743	10.1
181.10179	15.9
183.08180	8.1
183.11714	39.6
185.09625	9.9
185.13249	49.4
187.07539	18.3
187.11159	16.8
187.14841	21.9
189.12741	16.7
189.16356	7.8
193.10098	10.3
195.11716	19.6
197.13249	33.6
198.14128	7.3
199.11218	18.8
199.14810	26.0
201.12773	24.4
203.14366	18.3
207.11748	13.3
207.13864	8.3
209.13290	17.8
211.11185	9.8
211.14871	19.9
213.12767	18.5
213.16408	13.9
215.14337	22.5
215.18018	15.8
217.15927	9.1
219.11703	7.4
221.13239	24.5
223.14719	16.2
224.15686	7.4
225.12746	11.4
225.16354	16.2
225.80890	7.9
227.18050	10.1
229.15862	21.2
231.17433	8.9
232.26352	7.1
233.13263	11.9
235.11128	9.2
235.14883	9.7
237.16278	16.2
239.18059	13.0
241.16039	8.9
243.11583	9.4
243.17532	8.9
245.13187	11.7
246.14122	9.0
247.11119	7.6
249.16516	10.1
259.14923	8.2
263.18082	10.6
269.19064	16.2
275.14059	7.8
275.17886	7.7
277.19904	7.7
283.20541	15.4
293.22510	12.3
299.14429	8.1
301.21619	9.4
309.22189	84.4
343.20819	8.5
347.23587	9.3
349.25470	11.6
357.22018	19.4
361.21515	13.1
361.25418	16.9
363.26782	22.5
365.28256	16.1
369.24081	16.5
371.20123	15.9
375.23087	21.5
379.26227	38.3
381.27829	19.2
389.21054	19.9
393.24170	10.6
407.22269	12.9
423.28763	9.5
433.31067	54.0
451.21259	15.8
451.32126	66.4
511.22916	89.7
511.34698	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60261	5.1
51.24986	3.9
53.03944	6.3
55.01862	5.2
55.05513	33.7
57.07077	9.3
59.04985	6.6
65.03931	5.9
67.05509	55.9
69.03416	17.4
69.07078	43.5
71.04956	6.1
79.05495	43.0
81.07063	79.7
83.04996	22.7
83.08601	20.3
83.32303	4.2
85.06533	6.3
91.05479	63.4
93.07048	70.9
95.04965	12.2
95.08611	100.0
97.06562	5.0
97.10154	13.0
98.20808	13.5
105.07041	81.4
105.07730	3.1
107.04942	8.2
107.08609	86.7
109.06515	35.4
109.10162	55.3
111.08080	15.2
113.09681	7.9
115.05501	6.7
117.07008	18.6
119.08585	70.9
121.05746	4.2
121.06474	25.5
121.10157	50.6
123.08070	19.2
123.11732	11.8
125.09628	22.4
128.06247	11.3
129.06987	19.2
131.08580	55.7
133.06514	5.9
133.10133	69.7
135.08086	29.1
135.11710	21.7
137.09630	73.5
137.13205	4.6
141.06973	8.2
142.07748	18.5
143.08583	39.0
144.09364	12.4
145.10132	75.1
147.08043	13.0
147.11676	47.9
149.09630	65.1
149.13330	5.7
151.11214	8.7
155.08577	28.6
156.09328	11.1
157.10129	63.6
159.08078	9.4
159.11702	52.7
161.09601	26.2
161.13243	19.3
163.11209	19.7
165.07004	5.7
167.08540	9.8
169.10101	35.1
170.10921	10.0
171.08124	5.6
171.11679	49.6
172.08827	5.3
172.12450	6.0
173.09650	19.4
173.13264	35.4
175.11201	17.3
175.14844	14.6
177.12666	11.3
177.16360	5.5
179.08553	8.5
180.09236	4.5
181.10066	18.1
182.10962	6.1
183.11708	32.6
184.08609	4.6
185.09685	9.6
185.13293	31.3
187.11212	15.5
187.14850	31.9
189.12730	20.1
189.16354	15.7
193.10188	11.0
194.11029	5.6
195.11722	30.1
197.13306	43.5
199.11116	7.5
199.14813	31.3
201.12781	11.2
201.16382	15.1
203.14288	8.2
203.17828	5.4
205.15881	9.7
207.11829	10.8
208.12527	7.1
209.13196	23.4
210.13969	5.0
211.14813	17.1
213.12836	29.9
213.16299	16.3
215.14326	42.1
217.15898	30.6
221.13268	9.6
223.14792	18.7
225.12726	5.4
225.16336	13.5
227.14413	11.1
227.17892	7.3
229.15868	12.7
231.17448	14.3
233.13139	8.0
235.14772	8.6
237.16396	15.4
239.14510	5.7
239.17996	9.5
241.15813	8.9
243.17451	8.8
247.14777	11.3
247.17041	9.0
249.16360	10.6
251.14198	4.5
251.17943	13.2
253.19485	9.4
255.17392	9.1
261.16422	7.4
263.18088	8.4
265.15594	6.6
265.19476	17.4
266.20328	6.7
267.17520	6.6
269.19205	5.2
275.17963	5.6
277.19635	5.4
279.21069	5.1
281.18912	9.3
291.20972	5.8
293.22565	7.5
297.22116	15.6
303.20892	6.3
307.20523	23.1
309.22125	19.5
311.23608	8.1
321.22079	36.5
325.21695	12.8
327.23105	15.7
331.20459	8.1
335.23694	6.5
339.23242	56.1
347.23505	11.9
369.24118	8.8
405.31335	17.2
415.29962	26.8
423.32858	9.3
433.31082	84.7
451.32040	81.3
511.34238	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.05512	13.6
56.96550	0.6
67.05513	2.6
69.03439	0.5
69.07063	1.9
69.73164	0.9
69.73564	1.6
71.04989	0.7
79.05490	1.9
81.07069	3.2
83.04983	100.0
83.08629	1.1
86.09721	0.6
91.05486	1.6
93.07069	1.9
95.05006	0.8
95.08601	4.6
97.06527	1.4
97.10184	0.4
104.10718	0.6
105.07025	2.5
105.83775	0.4
107.08588	3.7
109.06514	2.4
109.10158	3.2
111.08095	2.0
113.06006	0.5
117.07023	0.6
119.08581	3.7
121.10156	2.7
123.08072	13.6
123.11725	2.2
123.79620	0.4
125.09639	2.9
130.18373	0.4
131.08586	1.6
133.10121	3.8
135.08046	0.8
135.11722	1.8
135.61386	0.4
137.06009	0.5
137.09650	0.9
137.13248	1.2
141.07016	0.4
142.07799	0.7
143.08572	1.2
145.10127	3.4
147.08075	0.6
147.11705	1.9
149.09613	1.9
149.13252	0.5
151.11220	0.9
153.09114	2.0
155.08575	1.1
156.09348	0.4
157.10104	3.8
158.10965	0.6
159.11667	2.6
161.09598	0.5
161.13298	0.8
163.11180	2.0
165.12781	1.0
169.10150	1.4
170.10995	0.6
171.11703	2.2
173.09613	0.6
173.13252	2.5
174.75871	0.4
175.11176	0.8
175.14810	0.8
177.12759	0.8
183.11729	3.2
184.07416	0.5
184.12480	0.5
185.13263	5.1
187.14868	1.6
189.12764	1.1
191.14320	1.9
193.12193	3.1
195.11728	0.9
197.13239	2.3
199.14845	2.0
201.12747	1.0
203.14371	0.8
207.11784	0.5
209.13321	1.3
211.11273	0.4
211.14844	1.0
213.16406	0.9
215.14307	0.7
215.18030	0.7
220.99931	0.4
221.13329	0.5
223.14888	1.4
225.12775	0.5
225.16498	1.3
227.14470	0.6
235.14909	0.9
239.18109	0.9
241.15854	0.6
249.16472	0.7
251.18024	1.3
253.19740	0.6
255.17369	0.4
269.19083	0.7
271.20636	0.8
281.18970	0.5
283.20636	0.8
291.20963	0.5
293.22537	0.5
295.20724	0.6
297.22076	0.5
309.22031	2.7
311.23636	0.9
321.22220	1.0
323.23901	0.5
335.23730	4.0
337.25229	21.0
338.26126	0.7
339.23175	1.0
339.27005	2.1
349.25311	1.6
351.26849	1.6
353.24802	3.4
367.26266	2.8
377.24890	1.2
385.27380	0.9
395.26147	0.6
405.31650	1.1
415.30191	1.5
433.31055	16.0
451.32101	20.0
469.33157	1.0
493.32962	2.6
511.33810	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01852	3.6
55.05517	39.0
57.07085	1.6
60.00850	1.3
67.05518	7.2
69.03410	3.7
69.07066	1.7
71.47350	1.1
79.05504	8.9
81.03426	15.5
81.07068	10.6
83.04989	69.1
83.08624	1.7
91.05479	10.4
93.07040	11.7
95.04987	10.7
95.08618	8.1
105.07047	13.9
107.04955	6.5
107.08625	12.3
109.06489	6.5
109.10159	3.9
111.08105	1.6
115.05473	1.8
117.07057	6.5
119.08595	12.9
121.06493	5.6
121.10149	9.1
123.08066	8.3
123.11716	2.7
125.09535	1.7
128.06223	2.9
129.06972	4.0
130.07755	2.1
131.04913	4.7
131.08578	10.4
133.06477	4.1
133.10135	12.5
135.08058	7.4
135.11670	2.9
137.09650	3.2
142.07838	2.9
143.08560	8.7
144.09329	1.6
145.06499	3.0
145.10133	12.7
147.08058	17.8
147.11629	4.3
149.09705	6.1
151.07591	9.8
155.08580	4.2
156.09296	1.6
157.06406	1.7
157.10152	6.3
159.08064	8.5
159.11693	7.6
161.09642	32.3
161.13203	2.7
163.11229	1.9
165.09048	2.0
167.08615	1.9
169.10124	3.5
170.10934	2.7
171.08038	7.7
171.11699	6.9
172.12387	1.4
173.09642	47.0
173.13254	6.1
175.07582	1.5
175.11182	6.7
175.14771	1.8
177.09151	1.2
177.12747	1.8
181.10123	2.3
183.08092	2.3
183.11679	4.6
185.09618	9.5
185.13278	7.8
186.10388	2.4
187.11197	12.9
187.14781	7.7
189.09047	1.5
189.12766	8.2
191.14313	1.9
193.10088	1.8
194.47281	1.5
195.08101	2.3
195.11725	3.0
196.08882	2.1
197.09604	4.9
197.13260	4.3
198.10303	2.2
199.11234	11.6
199.14853	3.4
200.11937	1.8
201.12778	8.7
203.14365	16.0
207.11758	2.2
209.09633	5.4
209.13287	3.7
210.10367	2.9
211.11168	9.7
211.14728	1.5
213.12759	10.6
215.14314	17.4
217.12202	2.4
217.15826	2.8
220.12453	2.4
221.13203	2.8
223.11153	4.2
223.14781	2.9
224.11879	4.0
225.12796	9.7
225.16287	2.4
227.14313	5.1
229.15994	1.3
231.13855	12.9
233.13248	1.8
233.15370	4.6
235.11125	1.6
235.14807	1.8
237.12672	3.0
238.13490	2.6
239.14249	7.5
241.15881	6.8
245.15440	1.5
249.12590	1.5
249.16275	1.7
251.14291	2.9
251.17897	2.5
252.14906	2.0
253.15884	26.0
255.17274	1.6
265.15936	2.2
266.16708	2.6
267.17429	4.3
269.19000	1.8
279.17368	2.4
279.20810	1.9
281.19043	6.1
293.18820	2.4
303.17441	1.6
307.16928	3.6
307.20554	7.0
317.19125	1.9
319.16876	2.0
325.21552	4.9
333.18515	14.4
333.22076	1.9
337.25296	2.1
343.22763	4.3
347.23672	9.5
349.21707	12.8
357.22079	6.0
365.24783	14.8
375.23221	100.0
383.25626	1.5
393.24249	59.7
411.25146	11.9
475.28632	1.6
493.29742	1.8
495.25183	1.3
511.30344	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	511.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55353	1.8
52.98136	1.7
55.01865	5.6
55.05507	13.5
57.07067	2.8
67.05497	6.5
69.03440	4.2
69.07076	5.0
79.05482	5.6
81.03412	3.7
81.07072	3.9
83.04985	15.3
83.08630	2.3
86.58858	1.7
91.05479	10.2
93.07059	4.5
95.04984	3.7
95.08598	5.3
96.98363	1.7
99.08076	1.9
105.03387	7.8
105.07029	8.6
107.08621	4.8
109.10155	7.9
116.33656	1.9
117.07012	4.4
117.78017	1.9
118.72607	1.8
119.08625	11.3
121.06525	1.9
121.10162	5.8
129.07002	4.2
131.08543	8.8
133.10139	8.1
135.11662	3.2
137.09579	1.9
141.29375	2.1
143.08542	4.7
145.06468	4.7
145.10129	14.6
147.08049	24.3
147.11707	4.5
155.08636	3.7
157.10085	3.3
159.08090	5.2
159.11707	6.9
161.09633	5.5
161.13161	2.5
165.06998	3.7
167.08594	3.7
169.10172	5.5
171.11688	3.9
173.09625	5.2
173.13258	2.1
177.09131	1.8
179.08565	4.7
180.09352	3.4
181.10127	7.1
182.10947	2.6
183.11723	4.7
183.46466	2.1
185.09657	2.3
185.13228	4.1
187.07524	2.1
187.14873	10.5
190.07825	2.1
192.09422	3.2
193.10159	4.6
194.10956	3.0
197.13318	5.5
199.14561	2.1
201.09148	1.9
201.16383	2.3
204.09387	2.3
205.10127	3.5
205.15802	3.4
206.10959	3.9
207.11751	4.3
209.09645	3.0
211.11246	2.2
216.25760	2.0
219.11725	4.7
221.13261	4.0
223.11243	18.1
229.09958	1.9
230.10875	3.1
231.11754	8.3
233.13257	4.4
233.15413	13.9
234.10477	3.5
235.11084	2.7
237.12697	3.3
239.10667	3.1
245.09535	2.5
247.11111	3.4
247.14764	3.3
248.11923	2.1
249.12724	16.0
257.13147	2.1
258.10266	2.3
259.11383	2.5
259.14777	3.0
261.12772	3.4
263.14371	14.9
265.15933	3.7
267.13809	2.4
271.10999	3.2
271.14896	2.9
273.12860	3.3
273.16370	2.5
274.13211	2.3
275.14395	3.4
277.15759	3.4
285.12970	2.4
287.14258	9.4
289.15817	5.2
299.14297	6.8
301.15704	3.1
303.17361	2.1
305.15436	2.5
313.15964	5.3
314.16574	8.0
315.17477	8.0
327.17429	4.6
328.17929	4.6
333.18396	2.0
342.19763	6.8
347.23672	5.4
357.22134	100.0
361.21436	2.3
375.23203	68.2
375.27917	4.0
393.24261	61.6
393.29468	3.2
411.25269	3.9
440.73499	2.2
493.29486	36.4
511.30444	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	511.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35836	1.2
53.03947	3.0
55.01872	4.7
55.05267	1.2
55.05514	19.4
57.07071	1.2
61.49161	1.0
65.03939	1.3
67.05512	11.4
69.03429	6.1
69.07072	5.7
69.81580	3.2
69.81995	2.8
71.04989	3.0
79.05492	12.6
81.03419	21.5
81.07055	11.7
83.04983	32.2
85.06543	1.7
91.05026	0.6
91.05482	19.8
93.07048	16.5
95.04967	20.5
95.08614	14.3
97.06526	4.6
98.20706	1.3
103.05458	2.5
105.07034	22.9
107.04948	6.8
107.08598	18.3
109.06516	10.0
109.10149	5.1
111.08067	1.7
115.05496	3.3
117.07045	7.8
119.04916	1.6
119.08585	21.0
121.06515	8.4
121.10149	9.9
123.08058	3.6
128.06223	3.7
129.06989	6.5
130.07802	1.8
131.04918	4.0
131.08583	16.1
133.06497	4.3
133.10136	18.4
135.08076	10.2
135.11702	2.1
137.09630	2.8
141.06990	3.5
142.07774	7.1
143.08574	14.3
144.09314	2.0
145.06490	5.3
145.10118	16.6
147.08058	13.4
147.11639	6.3
149.09622	3.4
151.07596	1.4
151.11177	1.0
153.07021	1.7
155.08582	8.1
156.09363	7.9
157.10129	22.7
158.10851	2.1
159.08072	13.4
159.11684	11.4
161.09622	26.8
161.13269	4.3
163.11148	1.7
165.07028	2.9
165.09111	1.8
166.07845	1.7
167.08563	5.1
167.10739	1.9
168.09360	1.8
169.10130	16.2
170.10957	5.9
171.08078	5.0
171.11702	20.8
173.09624	19.5
173.11021	1.6
173.13278	9.7
175.11198	10.6
177.09167	1.2
177.12811	2.0
179.08481	5.0
180.09355	2.8
181.10123	8.8
182.10971	5.6
183.08105	1.7
183.11690	19.1
184.08774	1.7
185.09659	4.8
185.13237	16.1
187.11220	7.7
187.14754	4.9
189.12775	4.0
191.08611	1.0
192.09317	2.0
193.10138	8.4
193.11751	1.2
194.10841	4.9
195.11690	15.0
196.12527	2.4
197.09642	3.0
197.13286	14.9
199.11185	12.3
199.14870	5.9
201.12729	5.3
201.16353	1.4
203.14336	2.8
205.10123	2.6
206.10930	4.5
207.11676	8.5
208.12509	5.0
209.09488	1.2
209.13263	14.4
210.10118	1.2
210.13948	1.8
211.11226	4.1
211.14763	7.5
213.12750	12.9
213.16302	1.6
215.14288	13.0
217.10182	1.8
217.12189	2.5
217.15749	1.2
219.11732	6.5
220.12521	4.7
221.13289	9.2
222.14003	2.0
223.11279	1.8
223.14812	16.9
224.15535	1.4
225.12758	4.1
225.16412	5.2
227.14345	4.3
227.18001	1.7
229.12267	1.7
230.10971	1.1
231.11719	2.2
231.13840	10.4
232.12361	1.2
233.13263	5.5
233.15366	2.1
234.14034	3.4
235.11224	2.4
235.14825	9.6
236.15652	2.0
237.12752	1.9
237.16379	7.8
238.17004	1.7
239.14383	4.1
239.17957	2.4
241.12305	2.3
241.15906	3.4
243.13884	2.4
245.13129	1.8
245.15367	3.2
246.13983	1.4
247.11282	1.4
247.14806	2.3
248.15669	1.9
249.12657	1.6
249.16483	4.3
249.83664	1.1
251.14339	4.0
251.17986	6.9
253.15863	6.4
253.19540	2.8
255.17299	1.3
257.13196	1.9
259.14828	1.5
261.12729	1.7
261.16431	3.1
262.13446	2.9
263.14349	2.8
263.18027	8.6
265.15854	4.8
267.17490	7.6
269.19031	2.1
273.16373	1.4
275.14276	1.5
276.15137	1.9
277.15897	6.9
277.19177	2.2
279.17419	9.2
281.18976	9.4
283.14508	1.1
287.14420	1.7
289.15891	2.3
289.19550	2.8
291.17542	7.1
293.19064	4.6
295.16873	2.2
297.18481	2.9
299.19983	3.0
301.15912	2.2
302.16681	1.2
303.17419	1.9
305.18954	2.5
307.16907	3.0
307.20554	2.7
315.17456	2.0
317.18961	19.9
319.17032	2.4
319.20660	2.3
321.22073	7.2
323.19958	3.9
325.17883	1.7
325.21619	1.0
327.17377	1.7
331.20547	11.0
333.18445	6.3
333.22250	3.9
335.20056	2.7
335.23755	1.3
341.20901	1.6
342.19763	1.5
345.18436	1.6
345.22147	11.9
347.23721	13.9
349.21655	6.4
357.22113	27.4
360.20795	1.4
363.23254	6.8
365.24673	5.7
367.22708	4.1
375.23184	80.6
393.24243	100.0
411.25281	13.6
451.31696	1.5
475.28516	2.8
480.10352	1.3
493.29517	7.5
511.30484	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	511.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01862	7.2
55.05500	7.5
65.03954	2.6
67.05510	19.2
67.37450	1.8
69.03426	7.3
69.07054	8.4
69.97747	4.5
69.98159	7.8
70.06641	2.0
76.29578	2.3
77.03944	2.2
79.05506	25.3
81.03428	13.9
81.07057	16.6
83.04983	6.4
87.01355	1.9
91.05480	35.8
93.07045	20.8
95.04964	34.7
95.08614	11.6
97.10141	2.7
103.05473	5.4
105.03393	3.8
105.07038	37.2
107.04953	9.2
107.08601	17.1
109.06559	12.1
109.10143	6.4
109.98038	2.1
115.05444	6.6
116.06264	2.4
117.07040	15.2
119.04948	3.9
119.08585	42.1
121.06505	11.2
121.10146	13.6
123.08042	4.3
128.06207	8.3
129.07011	10.0
130.07785	2.7
130.76227	2.7
131.04962	3.4
131.08569	23.9
133.06493	11.8
133.10136	31.9
135.08061	11.0
135.11679	2.1
137.09581	2.5
141.06953	4.6
142.07813	11.6
143.08546	18.8
144.09329	2.8
145.06480	13.9
145.10097	26.9
147.08070	21.7
147.11691	3.1
148.92122	2.1
149.09654	12.1
151.11235	2.7
153.07025	6.0
154.07780	2.7
155.08548	12.4
156.09360	14.1
157.06462	2.9
157.10132	25.1
158.07303	3.4
158.11000	2.8
159.08058	13.7
159.11642	12.2
161.05965	4.1
161.09654	12.5
163.11208	8.1
165.06998	7.7
165.09128	2.8
166.07758	2.5
167.07253	2.1
167.08554	8.2
168.09375	3.3
169.10141	18.5
170.10884	6.5
171.08037	16.6
171.11705	34.8
173.09641	22.8
173.13208	3.8
175.07533	5.6
175.11230	4.7
177.05460	6.4
177.09026	4.5
178.07838	2.6
179.07068	3.2
179.08542	8.4
180.09392	3.1
180.13318	2.3
181.10181	11.9
182.11031	2.3
183.08052	6.5
183.11684	24.2
184.08786	3.8
185.09613	16.5
185.13292	13.2
187.11194	9.3
189.09216	2.5
191.10710	2.6
192.09521	4.3
193.08632	2.7
193.10129	12.0
194.10873	7.7
195.11711	13.7
196.08833	4.8
197.09621	12.6
197.13220	7.8
198.10393	5.2
199.07564	4.4
199.11172	25.1
201.09062	3.2
201.12762	7.1
203.08725	3.1
203.10683	2.4
205.10161	5.5
205.12082	4.7
206.10941	10.4
207.11755	18.6
208.12416	4.5
209.09642	9.7
209.13245	12.0
210.10414	3.1
211.11172	16.2
211.14886	3.7
213.09273	2.7
213.12746	39.1
215.10727	3.1
215.14143	3.2
217.10208	5.9
218.10893	4.3
219.11789	12.9
220.12485	6.4
221.09695	4.8
221.13235	28.5
222.10487	2.8
222.13986	5.7
223.11185	8.3
223.14813	8.6
225.12721	7.0
227.10587	4.1
227.14299	2.5
229.10162	3.0
229.12202	3.4
230.10941	6.4
231.11699	8.6
231.13780	4.7
232.12457	7.6
233.09666	3.7
233.13477	13.9
234.14044	7.0
235.11172	7.5
235.14847	11.6
236.12021	3.5
237.12823	10.2
237.16383	9.6
239.10681	3.7
239.14351	5.0
241.12280	8.7
242.10837	4.9
243.11633	7.8
243.13802	6.0
244.12469	4.9
245.07961	2.7
245.13420	14.6
245.15498	3.5
246.14055	6.9
247.11104	5.4
247.14900	14.0
248.15700	3.4
249.12787	8.1
249.16365	8.6
251.14343	12.0
251.18106	5.0
253.09981	2.5
253.12299	2.8
253.15778	2.8
255.11627	4.5
257.13376	11.5
258.14084	8.3
259.14740	10.0
261.12839	4.1
261.16342	9.0
262.13596	4.1
263.14276	6.4
263.18027	3.7
264.15152	2.3
265.13046	2.7
265.15878	16.6
267.17499	2.9
269.13232	2.3
270.13980	5.9
271.15057	3.9
272.15381	4.1
273.12390	3.7
273.14999	9.8
274.13498	2.7
274.16965	3.5
275.14282	10.1
275.17950	7.8
276.15213	2.6
277.15823	7.5
279.17392	9.2
283.11105	3.2
283.14734	3.2
284.15433	2.8
285.12827	5.3
285.16376	6.8
286.13455	3.1
287.10916	2.3
287.14655	4.5
287.17993	11.3
288.15073	3.8
289.15787	8.0
291.17444	6.1
295.14545	2.9
297.16238	3.3
298.13620	5.1
299.14444	3.5
299.17822	2.7
300.14987	3.0
301.12350	2.8
301.15863	7.3
303.14056	2.3
303.17441	8.4
305.15341	3.3
305.18842	4.3
312.14984	3.1
313.15817	6.1
314.16547	3.3
315.13928	4.8
315.17413	16.9
317.15451	4.7
317.19208	5.4
325.15839	3.6
327.17438	7.4
329.15393	5.1
329.19153	3.7
330.19669	5.7
331.16916	11.5
331.20538	4.5
333.18362	6.5
340.18127	4.6
343.16754	10.4
343.20587	16.2
345.18369	9.2
345.22165	19.9
347.16571	3.0
349.17862	7.8
351.19818	4.1
355.16809	3.8
355.20584	39.8
358.19315	12.0
359.16498	7.1
361.21661	4.8
363.19247	4.1
363.23428	3.6
373.21674	100.0
377.17490	10.9
391.18289	13.5
391.23605	11.4
401.17358	4.8
405.20432	5.9
409.19824	3.4
411.21582	8.5
419.18439	9.7
421.20206	2.8
423.21689	13.4
433.19919	10.5
433.24612	4.4
451.21082	53.9
469.22180	5.1
493.22241	7.5
511.23547	42.1
511.26486	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	511.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03944	1.9
55.01870	4.2
55.05514	6.1
59.04988	1.4
65.03943	0.9
67.05514	9.3
68.99809	0.9
69.03428	2.9
69.07066	5.3
69.14450	0.8
71.04985	1.3
71.55349	1.6
76.68807	1.0
77.03951	0.9
79.05500	12.7
81.03414	4.0
81.07054	8.2
83.04966	6.1
83.08630	1.9
85.02921	1.1
85.06530	1.2
91.05487	30.5
93.07048	12.0
93.77261	0.8
95.04968	6.8
95.08621	6.2
97.02869	1.0
97.06529	2.2
97.10176	1.3
103.05481	4.8
105.04536	1.2
105.07037	36.7
107.04954	4.3
107.08590	9.8
109.06537	2.8
109.10175	3.0
111.08089	1.4
113.05999	1.2
115.03979	1.6
115.05443	5.9
116.06229	2.7
117.07020	13.3
119.04959	3.1
119.08588	35.8
121.06526	4.1
121.10152	4.4
123.08076	1.5
125.05972	1.7
128.06212	10.0
129.07034	8.0
130.06964	0.8
130.07793	4.9
131.04944	2.5
131.08574	23.9
132.05724	0.9
133.06502	14.5
133.10132	11.3
135.08063	5.5
135.11754	1.4
137.06076	1.2
137.09630	1.6
141.07005	5.6
142.07805	8.6
143.08574	19.6
145.06488	5.7
145.10124	34.6
145.41313	1.0
147.08057	19.1
147.11731	3.5
149.05975	2.9
149.09613	6.9
151.07526	1.6
153.05559	2.1
153.07027	3.4
154.07784	1.8
155.08574	11.2
156.09357	12.6
157.06477	2.4
157.10135	28.6
158.07291	1.6
159.04462	2.1
159.08057	13.5
159.11714	6.0
161.05984	17.1
161.09624	8.4
163.07526	6.0
163.11211	13.8
165.07014	3.6
165.09204	2.3
165.12791	1.1
167.08545	4.8
168.09375	4.3
169.06523	1.8
169.10153	16.4
170.07330	1.3
170.10919	11.8
171.08058	18.7
171.11696	57.1
172.08842	3.3
172.12178	1.0
173.05994	2.4
173.09625	31.4
173.13200	4.5
175.07559	16.9
175.11212	2.8
177.05467	1.6
177.09134	5.7
179.07043	5.5
179.08632	2.5
180.09357	3.9
181.08727	1.6
181.10132	6.6
182.10875	2.4
183.08127	6.6
183.11705	32.5
184.05168	1.0
184.08966	5.6
184.12437	3.3
185.06030	1.0
185.09631	15.1
185.13263	31.9
186.10408	3.0
186.13976	1.0
187.07507	7.4
187.11171	9.5
189.05499	2.4
189.09131	2.6
191.07016	2.3
191.08623	1.1
191.10696	2.7
192.09346	2.6
193.08604	7.9
193.10193	5.1
193.12268	3.0
194.10896	1.7
195.08041	2.4
195.11703	11.9
196.08867	3.2
196.12399	2.1
197.09613	15.6
197.13350	6.8
198.10394	8.0
199.07559	6.8
199.11180	27.4
200.11963	5.5
201.09114	6.8
201.12761	9.5
202.07782	1.7
203.07021	1.9
203.08716	1.8
203.10649	2.6
205.08531	2.2
205.10191	2.6
205.12245	7.2
206.10910	3.0
207.06609	1.5
207.11711	8.9
208.12471	1.4
209.09654	3.5
209.13301	5.2
210.10297	1.6
211.07629	1.2
211.11205	26.4
211.13191	2.2
213.09213	4.6
213.12753	67.0
215.10674	4.2
215.14513	1.0
217.08580	2.5
217.10355	1.8
217.12183	2.0
218.10957	2.8
219.09937	1.2
219.11847	4.5
220.12456	3.2
221.09602	2.2
221.13214	5.0
223.11198	5.5
223.14914	1.6
225.09270	1.8
225.12769	3.6
227.07040	2.7
227.10634	2.3
227.14432	1.5
229.10120	2.6
229.12283	7.6
230.10913	3.8
231.10162	5.3
231.11784	4.3
231.13866	6.0
232.12465	3.3
233.09631	1.6
233.11633	3.1
233.13680	4.8
234.14003	2.4
235.11183	4.0
235.14922	2.9
236.11981	1.4
237.09081	2.1
237.12759	5.1
239.10751	2.9
239.14336	1.4
241.10204	1.7
241.12277	6.8
242.10876	1.7
243.11642	4.4
243.13736	8.7
244.12434	3.7
245.08139	2.7
245.13297	5.0
245.15411	14.7
246.10533	2.9
246.14102	4.0
247.11154	3.6
247.15033	5.1
248.11899	1.4
249.12788	4.1
249.16437	1.4
251.10674	2.4
251.14543	1.6
253.12274	2.8
254.11092	1.5
255.11641	4.2
255.13959	1.9
256.12451	3.1
257.13727	5.7
258.10464	1.5
258.14050	4.2
259.11154	2.4
259.14828	4.3
260.11978	2.3
260.15634	2.5
261.12662	5.4
261.14462	0.7
261.16388	3.2
263.14386	3.8
265.12363	2.0
265.15836	2.0
267.13947	1.5
268.12576	1.4
269.13327	5.7
270.14063	5.8
271.13315	6.1
271.15002	4.6
272.15588	3.0
273.12491	2.4
273.14789	22.4
274.13492	3.1
275.10962	1.7
275.14334	5.3
275.18045	3.1
277.12521	2.1
277.15921	1.6
279.13995	1.3
280.12518	1.1
283.11224	2.5
283.15042	1.6
284.12271	1.8
284.15631	3.8
285.12772	4.3
285.16403	8.6
286.13565	1.8
287.10910	1.1
287.14310	4.3
287.17770	2.1
288.15164	4.2
289.12155	2.8
289.15793	5.5
289.19250	1.9
291.13681	1.7
291.17276	1.3
293.15302	1.9
294.13989	1.1
297.12756	3.3
298.13632	4.6
299.14282	3.6
299.17963	3.8
300.15137	2.3
301.12210	3.0
301.15918	5.0
302.13156	1.2
303.13727	4.0
303.17502	9.6
305.11902	1.5
307.13470	1.8
311.14151	1.0
312.15158	3.0
313.15863	8.4
314.16595	1.9
315.13718	3.9
315.17477	4.2
316.14566	3.9
317.11926	1.7
317.15399	6.0
317.19156	3.9
318.16223	1.4
319.13245	1.8
319.16800	2.1
321.14960	1.6
321.18484	1.3
325.12381	1.4
326.13028	2.2
327.17493	6.0
329.11874	1.9
329.15421	4.8
330.12646	1.2
330.16248	3.1
331.13342	1.8
331.16937	15.6
333.18021	1.5
335.12875	1.7
335.16479	2.3
337.15250	1.5
340.14661	2.1
341.15268	7.3
342.15884	1.2
343.16986	2.7
345.14777	1.8
345.18466	11.0
347.16483	4.7
349.14087	1.9
349.17953	10.6
350.18619	1.3
355.16885	9.3
358.15274	1.1
359.12500	0.7
359.16415	17.8
359.20654	1.4
361.17993	3.0
363.19601	6.5
371.16501	1.1
373.18036	24.7
377.17386	17.3
377.21222	1.6
378.17776	1.6
383.16324	3.7
387.19464	3.1
389.17465	2.1
391.19083	17.1
401.17563	13.6
401.22610	1.8
402.38068	1.1
403.19376	1.3
405.20737	10.1
409.20139	4.2
411.22156	1.5
415.19171	5.1
419.18570	16.2
421.20087	2.9
423.21765	14.1
433.20154	25.4
437.19397	2.0
451.21173	76.2
452.21808	1.3
465.22855	1.9
469.22083	4.7
479.20361	1.3
493.22137	10.7
493.28134	1.4
511.23257	100.0
512.23749	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77193	1.0
53.03946	1.4
55.01880	1.7
55.05518	2.1
67.05521	4.2
69.03431	4.8
69.07081	1.1
74.46306	1.1
79.05511	4.2
79.65035	1.1
81.03405	5.4
81.07056	4.5
83.04994	4.5
91.05480	8.1
93.07041	6.7
95.01343	4.2
95.04969	11.1
95.08603	3.0
103.05464	1.5
105.03406	2.0
105.07046	9.8
107.08612	4.0
109.06552	6.3
109.10167	1.2
114.11176	1.1
115.05434	1.6
116.06281	1.4
117.07029	4.7
119.08620	11.3
121.06511	2.6
121.10187	3.8
123.08086	1.8
126.70353	1.2
128.06262	2.5
129.07069	2.7
130.07793	2.7
131.04967	1.3
131.08594	7.8
133.06468	5.4
133.10152	4.2
135.08060	1.7
137.06009	1.4
137.09668	1.8
140.89156	1.5
142.07785	1.5
143.08533	6.5
145.06483	2.0
145.10133	16.5
147.08047	7.1
149.09605	1.3
155.08545	2.8
156.09358	3.3
157.06551	1.4
157.10168	5.8
158.07333	2.3
159.04399	1.5
159.08084	7.0
159.11707	3.1
160.08743	1.4
161.06010	5.0
161.09656	4.5
163.07552	1.5
163.11189	11.1
165.09128	2.7
167.08563	1.9
169.10165	3.6
170.10948	1.8
171.08099	4.6
171.11728	5.8
172.08858	2.1
173.09625	23.5
173.13196	1.3
175.11319	1.4
177.05495	3.4
177.09123	1.3
178.07800	1.4
179.07057	1.9
179.08571	1.9
183.08089	2.7
183.11723	3.7
185.09683	3.6
185.13258	2.7
187.07571	2.9
187.11218	5.1
191.08751	1.5
193.10133	3.3
194.10973	1.7
195.11742	4.3
196.08835	2.0
197.09669	4.5
197.13307	2.9
199.07614	5.0
199.11162	6.7
201.09099	9.9
205.10323	1.2
205.12299	5.3
206.11061	1.4
207.11746	4.4
209.09677	3.5
209.13211	1.5
211.11194	6.7
213.09175	2.1
213.12746	11.4
215.10664	2.3
217.10353	1.2
218.11139	1.2
220.12543	2.1
221.09729	1.3
221.13350	2.7
222.10454	1.9
222.14032	1.6
223.11218	6.7
223.14764	1.5
224.12068	1.9
225.09138	2.9
225.12798	2.6
227.07060	3.5
227.10670	1.5
229.12331	1.2
230.11067	2.0
231.11917	2.8
232.12505	3.1
233.09610	2.9
234.10400	1.5
235.11253	3.3
235.14926	4.8
237.09128	3.0
237.12794	3.7
239.10727	3.0
241.12297	3.1
243.11850	2.1
244.12392	2.4
245.07895	5.9
245.13335	2.6
246.10446	2.1
246.14043	2.2
247.11319	3.0
247.14929	3.4
249.09146	1.6
249.12796	4.0
250.13499	2.3
251.10716	2.6
251.14462	2.3
253.12343	2.5
253.15919	1.8
255.11688	2.2
255.14032	2.1
257.09576	1.4
257.13232	2.9
258.10513	1.4
258.14029	2.9
259.11246	3.9
259.14911	4.4
260.12033	3.1
260.15701	2.3
261.12796	4.4
261.16403	1.8
263.10846	1.5
263.14325	4.4
265.12253	1.8
265.15924	4.4
269.13354	2.0
270.14087	1.6
271.11169	1.6
271.14832	3.5
272.15744	1.8
273.12842	6.6
274.13516	4.3
274.17578	1.2
275.10849	1.4
275.14352	5.8
275.17804	1.9
277.12405	2.8
277.15872	3.0
279.13889	2.3
281.15488	3.1
283.14459	1.2
284.11978	1.4
284.15497	2.1
285.13022	2.8
285.16281	2.7
286.13571	1.7
287.11044	1.3
287.14291	6.1
287.17471	2.0
288.11948	2.0
288.14890	6.8
289.12286	3.9
289.15921	4.5
290.13062	2.0
290.16678	1.5
291.13895	4.3
297.12750	3.6
298.13681	2.1
299.14334	3.2
299.17899	2.3
300.11664	2.0
300.15186	3.1
301.12402	4.1
301.15924	3.1
301.19275	1.5
302.13083	1.2
302.16553	1.6
303.13812	4.2
303.17407	5.3
305.15463	2.8
305.18997	2.2
312.14960	1.8
313.12375	2.0
313.15866	5.0
314.13068	2.2
314.16608	2.3
315.13791	4.6
315.17484	3.1
316.14737	3.3
317.15454	6.7
317.19104	3.2
319.16837	1.4
323.16388	2.9
325.12207	2.6
326.13098	2.4
327.13931	1.2
327.17502	2.9
329.11938	1.7
329.15454	4.1
329.18976	1.7
330.16232	3.4
331.13324	2.8
331.16861	13.4
333.14917	2.1
333.18237	2.1
335.12769	4.3
340.14679	2.0
341.15439	4.7
343.13312	2.2
343.17084	2.6
344.13971	2.4
345.14734	2.5
345.18546	8.5
347.16357	3.7
347.20166	4.3
349.14270	3.1
349.18063	4.2
351.16129	1.4
353.11588	1.6
355.16895	4.7
358.15839	2.7
359.16513	12.6
363.19623	4.0
372.16977	1.4
373.18030	17.4
375.15442	1.5
375.19662	4.7
377.17480	38.6
383.16522	3.5
389.17258	6.2
391.19049	37.0
401.17545	12.4
405.20532	1.6
415.19168	4.4
419.12848	2.3
419.18567	57.8
433.20087	17.6
451.21210	100.0
452.21866	1.9
469.22354	5.6
511.23322	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01866	1.1
55.05508	1.5
57.03421	1.0
60.74940	0.5
61.02897	0.6
65.83971	0.4
67.05493	1.0
68.59104	0.4
69.03436	4.1
69.07040	0.4
69.96063	2.1
71.01361	0.6
71.04989	2.0
73.02925	0.7
79.05499	0.7
79.18332	0.4
79.58371	0.4
81.03419	4.0
81.07059	1.6
82.71980	0.4
83.04973	1.6
85.02914	3.0
85.06564	0.5
91.05486	1.2
93.07040	1.0
95.08641	1.0
97.02898	2.0
98.20765	0.5
99.04462	10.2
103.03943	2.8
105.07014	1.2
107.08618	0.7
109.02887	4.6
117.05496	2.5
117.99213	0.5
119.08603	0.9
120.08035	0.4
121.05717	0.5
121.06548	0.6
121.10141	1.1
127.03924	5.9
128.87384	0.4
131.08585	0.5
132.08102	0.7
133.10114	0.4
135.06555	0.5
137.05994	1.0
143.08594	0.6
145.07652	2.9
145.10158	0.4
146.08334	1.4
147.08102	0.7
147.09172	11.2
147.11644	0.4
149.09630	0.7
152.07065	0.8
157.10095	0.7
159.09193	7.4
160.09991	1.6
161.10776	0.5
163.11201	0.4
164.44357	0.4
173.07124	1.2
173.10785	1.1
175.08701	2.5
182.08406	0.4
184.09995	0.8
185.10773	2.8
186.11592	0.6
187.08720	1.6
187.12424	0.7
189.10263	2.8
190.09842	0.8
191.08170	48.9
197.10770	1.9
199.08711	1.2
199.12331	1.8
200.09569	0.6
201.10324	1.1
203.11797	0.5
204.58377	0.4
213.10286	0.8
215.08130	1.2
215.11821	1.9
216.07706	6.5
217.13535	0.5
224.23019	0.4
225.10272	1.4
227.11815	0.9
229.13422	1.3
231.11394	0.4
233.09268	0.7
237.94435	0.4
243.11426	1.2
245.09276	1.3
245.12886	4.9
253.09576	0.7
263.13950	5.2
271.10785	3.5
289.11813	6.5
305.14929	1.7
306.14716	1.0
307.12900	27.2
317.15012	0.8
324.15762	0.7
332.12305	0.8
345.18182	2.4
347.16016	0.9
349.13867	0.5
350.13495	2.4
363.14117	0.8
371.16080	0.9
389.17041	7.4
391.15054	1.1
406.19650	1.7
415.14993	2.8
432.17810	1.8
433.15878	2.2
449.17615	0.8
450.18777	3.0
451.17160	5.8
476.16785	0.9
494.17722	100.0
495.18213	1.4
511.16245	2.8
511.28955	0.5
532.70044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
51.11248	0.3
53.03955	0.5
55.01881	2.6
55.05505	1.1
65.03922	0.8
67.05505	1.9
69.03423	2.5
69.07058	1.3
71.05003	0.6
79.05502	3.4
81.03410	2.7
81.07041	1.9
83.04999	2.1
85.06548	0.5
87.04461	0.6
91.05485	15.1
93.07056	5.1
95.01345	1.1
95.04975	5.1
95.08611	1.6
97.06536	1.4
103.05474	1.6
105.03387	0.5
105.07034	9.2
107.04970	1.1
107.08599	3.0
109.06500	2.4
109.10176	1.2
111.04455	0.4
111.08053	0.6
115.03935	1.6
115.05463	1.8
116.06253	2.1
117.07024	3.0
119.05004	0.7
119.08586	11.2
121.06521	1.4
121.09312	0.8
121.10147	10.9
123.08037	2.0
125.05998	0.7
128.06223	2.2
129.07011	4.7
130.07791	1.7
131.04919	1.2
131.08569	17.1
132.05704	0.4
133.06490	1.7
133.07556	0.8
133.10129	2.6
135.08006	2.2
137.09625	1.6
141.07036	2.2
142.07797	2.3
143.08562	4.0
144.05692	1.9
145.06502	2.4
145.10149	4.8
147.08047	5.7
147.11641	0.9
149.09651	2.7
153.06981	0.9
154.07832	0.7
154.67188	0.4
155.08542	2.2
156.09361	1.8
157.06494	1.4
157.10130	4.7
158.07281	1.2
159.04437	0.8
159.08063	19.8
159.11728	1.3
160.08815	0.4
161.06029	2.1
161.09598	3.2
163.07513	0.8
163.11200	1.7
165.06998	1.3
165.09114	3.0
166.07755	0.7
167.07187	0.8
167.08582	1.4
168.09280	0.5
169.06361	0.5
169.10158	2.4
170.07271	0.7
171.08072	4.1
171.11697	3.4
172.08936	0.4
173.05995	0.6
173.09639	6.6
175.07541	1.0
175.11264	1.3
177.05479	1.1
177.09103	1.5
178.07761	0.6
179.08582	1.1
180.09322	0.7
181.06548	0.5
181.08710	0.5
181.10170	1.5
182.07289	0.9
183.08038	2.6
183.11723	1.6
184.75552	0.4
185.05986	0.9
185.09630	4.0
185.13263	2.0
187.07545	19.4
187.11092	2.1
189.09108	0.8
192.09352	1.0
193.10164	1.5
193.11989	0.5
195.08083	1.7
195.11681	2.1
196.08881	0.9
197.09644	3.2
197.13324	0.6
199.07585	2.3
199.11214	3.2
200.08321	0.7
200.12071	0.6
201.09090	2.5
203.08678	0.9
203.10507	0.8
204.09418	0.6
205.10258	0.7
205.12291	1.0
206.10939	1.1
207.08176	0.5
207.11684	1.3
208.08852	0.7
209.09627	2.0
209.13261	0.7
210.10477	0.5
211.07582	1.1
211.11198	1.9
213.09154	3.5
213.12714	3.6
215.08708	0.9
215.10730	1.5
216.09352	0.8
217.10217	0.8
217.12199	0.5
218.11053	0.7
219.08127	0.7
219.11787	1.2
220.08932	0.4
220.12459	0.9
221.09711	1.3
221.13295	1.5
222.10452	0.9
223.07590	0.8
223.11195	2.8
225.09100	1.9
225.12749	0.8
227.06923	0.9
227.10675	0.9
228.09526	0.5
229.10182	1.0
229.12331	1.2
230.10924	0.9
231.11716	1.2
231.13741	0.6
232.08835	0.7
232.12502	0.7
233.09583	0.9
233.13194	0.7
234.10472	0.9
235.07526	0.8
235.11214	3.3
235.14838	1.1
237.09190	2.0
237.12787	1.7
238.09853	0.7
238.13593	0.5
239.10750	1.8
241.08455	0.6
241.12306	0.9
243.11729	1.7
243.13928	0.6
244.12520	1.2
245.07817	0.6
245.09790	0.7
245.13435	1.1
245.15512	0.7
246.10397	1.0
246.14059	0.5
247.11140	2.0
247.14873	0.5
248.11864	0.7
249.12755	3.7
250.09865	0.4
251.10681	1.9
251.14359	0.9
252.11566	0.7
253.12369	1.2
255.11769	0.9
256.08908	0.4
256.12579	0.5
257.09482	0.6
257.13443	1.0
258.10379	0.9
258.14056	0.7
259.11136	1.8
259.15054	0.6
260.12012	1.1
261.12805	2.3
262.13629	0.5
263.10675	1.1
263.14355	1.4
265.12326	2.1
265.15823	0.6
267.13892	0.9
268.12271	0.5
269.13284	1.1
270.13843	0.7
271.11230	1.1
271.14929	1.2
272.12030	1.9
272.15613	0.4
273.12787	2.7
273.15143	0.7
274.13611	1.0
275.10757	1.1
275.14319	1.9
275.17624	0.6
276.11606	0.5
277.12271	1.2
278.13022	0.4
279.13831	0.7
283.11185	1.2
283.15039	0.4
284.12131	1.1
285.12784	1.8
285.16153	0.6
286.13602	1.3
287.14374	3.8
287.17706	0.8
288.11615	0.6
288.15146	1.2
289.12360	1.5
289.15961	1.4
290.12756	0.5
291.13678	0.9
293.11826	0.9
295.13556	0.6
297.12607	2.1
298.13538	1.8
299.11084	0.5
299.14362	1.7
300.11478	1.0
300.15155	1.1
301.12268	1.7
301.15912	3.6
302.13144	1.0
302.16641	0.8
303.10385	0.5
303.13870	1.4
303.17416	2.0
305.12064	0.6
305.15433	1.1
309.15024	0.7
311.13873	0.6
312.15030	1.0
313.12207	1.4
313.15894	2.7
314.13138	1.0
314.16684	0.6
315.13794	2.2
315.17499	1.3
316.14648	1.1
317.11945	0.6
317.15417	1.6
317.19080	1.5
319.13303	0.6
321.14981	0.8
322.13229	0.5
325.14496	5.0
327.17395	2.9
328.14398	0.6
329.15445	1.7
330.16214	0.8
331.13403	0.5
331.16833	3.6
333.14868	0.7
333.18488	0.9
335.12796	0.9
340.14679	0.8
341.15332	1.1
343.13379	0.5
343.17032	1.7
345.14850	0.8
345.18472	3.6
347.16364	1.5
347.20056	0.7
349.18011	1.2
355.17032	1.7
358.15567	0.6
359.16370	2.9
360.17014	0.5
361.18103	0.7
363.19653	0.9
371.16309	0.9
373.18005	4.5
375.15640	0.6
375.19781	0.9
377.17429	4.6
383.16541	0.9
387.19659	1.5
389.17548	2.0
391.19025	7.8
393.24402	0.4
401.17502	2.7
403.19260	0.8
405.20551	1.3
407.18628	1.2
409.20169	0.6
415.18585	0.7
419.18576	8.7
421.20386	0.5
423.21820	1.0
433.19998	4.2
437.19455	0.7
451.21176	23.0
467.20880	0.9
469.22073	0.7
479.20694	1.0
483.23914	2.1
493.22211	1.8
511.23300	100.0
512.23755	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
55.05519	4.0
56.02818	0.9
57.03436	1.1
58.97004	0.8
61.40143	0.8
66.92423	0.8
67.05493	3.7
69.03421	3.3
69.07066	6.2
69.42365	7.4
70.06589	1.3
71.05000	2.5
71.08645	1.2
71.58368	0.9
79.05490	3.2
81.03407	3.7
81.07065	6.7
83.04976	1.4
83.08617	3.1
85.02906	7.5
85.06524	1.2
87.00829	2.8
91.05502	1.5
93.06519	1.0
93.07024	4.5
95.08606	8.0
97.02893	3.9
97.06554	2.2
97.10165	3.4
97.87369	0.9
99.04440	1.8
105.01821	1.5
105.07001	1.5
107.04977	1.0
107.08595	22.5
109.02892	2.5
109.06503	1.2
109.10163	21.7
111.08087	2.4
119.04843	0.9
119.08564	1.5
121.06467	1.4
121.10143	24.1
123.11704	12.4
125.09634	28.1
127.03922	4.9
135.11673	6.0
137.05946	1.1
137.13245	3.7
139.07529	2.3
139.11143	4.6
143.29251	0.9
145.04906	1.8
145.10162	0.9
147.42148	0.9
149.09673	1.5
151.07536	1.2
153.09100	18.1
155.10782	1.0
159.02910	1.1
163.11160	1.5
163.14824	37.1
165.16394	7.9
167.10716	3.2
169.08464	0.8
173.13290	1.2
181.12318	1.0
181.15869	23.3
191.10646	1.2
191.14325	4.4
209.11763	1.2
209.13808	0.7
209.15361	39.2
227.12796	2.9
227.16422	100.0
232.47086	1.1
245.17485	49.8
352.22305	0.9
370.13199	1.0
439.19858	1.1
475.21710	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.357
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
54.81216	0.7
55.05508	3.6
56.05028	1.1
57.03432	1.2
57.07081	13.3
58.06598	10.4
60.08169	15.0
61.02918	0.8
62.06062	1.1
66.70632	0.7
67.05515	3.8
69.03444	0.8
69.07069	4.1
69.58270	4.9
71.07378	5.6
71.08639	10.5
75.04498	1.3
79.05512	1.6
81.07055	6.0
83.04984	14.6
83.08622	3.7
85.10178	3.5
86.09711	50.5
93.07085	1.1
95.08620	7.3
97.10191	2.2
98.21482	1.4
98.98455	4.2
100.07643	1.9
104.10751	100.0
105.03399	0.8
105.07053	1.4
107.08611	2.0
109.10183	4.1
119.08624	2.0
121.10172	1.4
123.11720	2.5
125.00018	24.6
131.08609	1.6
133.10162	1.9
140.93085	0.7
145.10135	1.3
147.11725	1.4
157.10179	1.6
159.11806	1.5
163.01505	1.0
170.74153	0.8
171.11761	1.0
173.13354	2.2
183.11726	1.4
184.07350	95.0
185.13235	1.1
193.10341	0.7
197.13274	0.8
199.14970	0.9
201.12772	1.2
239.23721	5.9
269.18671	0.9
279.07571	0.9
311.23618	1.3
313.27377	22.3
327.29269	1.2
331.28632	3.4
335.23581	1.3
338.27884	1.0
349.25296	0.9
433.31262	1.3
475.32224	1.1
492.34473	9.8
510.35767	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01861	2.4
55.05515	5.1
57.03435	1.3
57.07072	1.6
60.04520	1.0
61.02929	1.3
67.05500	3.4
68.53042	0.7
68.99802	0.7
69.03442	10.1
69.06733	1.2
69.07072	12.9
69.64980	3.2
69.65385	1.7
70.06606	7.9
71.04988	4.6
71.08624	1.0
73.02921	2.1
79.05485	2.6
81.03437	7.5
81.07075	6.6
83.04972	2.0
83.08621	4.7
84.08137	1.2
85.02911	23.6
85.06533	1.5
87.00845	8.5
87.04460	1.5
91.03965	0.9
91.05473	1.8
93.07051	5.2
95.04991	1.6
95.08627	7.3
97.02895	8.4
97.06543	1.5
97.10178	7.8
99.04459	7.7
99.08093	0.9
103.03921	2.0
105.01867	5.4
105.07037	1.7
106.06640	0.8
107.04978	1.3
107.08601	20.7
108.04417	0.8
109.02898	8.5
109.06515	2.2
109.10165	15.9
111.04413	1.2
111.08105	3.6
111.11739	1.7
112.81780	0.7
113.05988	1.1
113.09630	1.8
116.07103	11.9
117.01900	0.8
119.08588	1.4
121.06531	1.1
121.10156	22.2
121.11025	1.1
123.08046	1.6
123.11720	10.9
125.06009	1.4
125.08765	1.1
125.09643	16.5
127.03936	11.1
131.08578	0.9
133.10155	2.8
135.08078	1.5
135.11694	10.0
136.06190	7.3
137.05963	2.1
137.13272	4.0
139.07562	2.2
139.11163	2.8
141.09148	1.0
141.12724	5.1
145.04955	3.7
145.10118	1.3
149.09618	1.0
149.13319	1.2
151.11191	3.8
151.13373	0.8
153.09134	10.4
155.10748	0.9
157.06493	1.7
159.02928	3.0
162.87685	0.8
163.11172	1.3
163.14828	45.0
165.16377	2.7
166.99646	0.7
167.10698	1.9
169.12219	2.1
173.13289	1.1
181.12350	0.7
181.15891	17.0
189.09134	3.8
191.10706	1.0
191.14337	8.6
194.37244	0.8
207.10185	4.2
209.15390	35.9
212.64864	0.8
227.16443	100.0
228.16750	1.4
231.05038	2.0
245.17511	46.8
427.13873	0.9
475.22189	1.4
510.26270	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01859	1.6
55.05501	3.0
56.72800	0.7
57.03413	1.7
57.07071	1.0
60.04518	2.5
61.02920	1.2
61.09019	0.7
62.06096	4.0
67.05502	3.9
69.03427	6.2
69.07069	3.5
70.06556	1.0
71.04968	2.1
73.02897	0.8
79.05487	3.5
81.03427	5.0
81.07063	7.9
83.04977	1.4
83.08608	3.8
85.02905	15.2
85.06535	1.7
86.09733	0.6
87.00837	5.8
91.05479	1.8
93.07046	7.0
95.04943	1.0
95.08598	5.6
97.02900	5.5
97.06514	1.5
97.10149	1.7
99.04474	4.4
102.05528	0.7
105.01860	4.5
105.07037	2.2
107.04982	0.9
107.08597	16.3
109.02875	5.4
109.10162	3.7
111.04489	1.1
111.08074	2.7
113.06022	1.1
116.07021	0.8
117.01850	0.7
119.05037	0.7
119.08590	5.3
121.06526	1.0
121.10153	9.4
123.08078	2.1
123.11692	1.6
125.05984	4.2
125.09592	2.4
127.03928	8.3
129.05556	0.6
131.08582	1.2
133.10133	2.1
135.08073	1.6
135.11716	2.1
136.06183	2.9
137.05936	1.2
139.07532	3.0
143.10741	0.8
145.04993	3.8
145.10097	1.1
147.11656	0.9
149.13242	1.0
153.09145	3.8
159.02922	2.8
163.14832	18.7
167.10721	0.9
169.12251	2.4
173.13261	3.0
181.15886	0.9
183.13705	0.9
191.14316	13.0
209.11963	0.8
209.15376	17.5
227.16426	100.0
228.16776	0.9
229.47285	0.6
231.05020	1.8
244.69380	0.7
245.17561	6.2
294.24213	1.6
312.25253	4.9
330.26355	3.6
348.27505	4.1
457.20547	2.0
475.21628	1.7
492.25739	1.0
510.26401	3.4
510.33081	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21586	4.0
55.05519	25.5
57.03411	4.2
57.07058	9.6
66.46758	4.3
67.05516	33.4
69.03426	9.4
69.07070	58.9
69.76682	19.7
71.05000	9.7
79.05476	15.8
81.03419	13.6
81.07066	84.4
81.16270	3.7
83.04979	4.7
83.08621	29.3
85.02926	20.9
85.06538	10.0
91.05484	17.5
93.07047	18.3
95.04967	13.0
95.08613	100.0
97.10176	17.6
98.21459	4.5
99.08083	5.0
105.07034	7.5
107.04941	6.6
107.08605	12.4
109.06519	8.9
109.10160	58.2
111.11729	18.1
119.08592	9.7
121.10178	10.4
123.08095	5.6
123.11701	33.5
125.13262	18.5
133.10138	10.0
135.11655	8.9
137.13260	24.0
145.04915	8.1
149.13222	9.0
151.07564	21.0
151.14871	20.3
154.64914	4.8
158.86661	4.5
163.06046	6.5
163.11163	5.2
163.14874	7.9
165.16405	14.1
169.15865	10.3
174.58374	5.3
179.17967	8.5
183.17482	7.8
193.19519	3.9
201.31877	4.1
227.07048	10.1
227.12695	5.1
237.21939	4.7
243.11357	10.7
275.27319	10.2
293.28421	39.4
355.39087	4.1
381.05981	4.2
449.19476	4.7
459.27362	4.8
509.27139	15.3
533.99786	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	510.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01877	9.6
55.05503	4.7
57.03436	2.0
57.07087	1.8
60.43660	1.2
67.05511	6.8
69.03421	12.4
69.07070	10.6
69.81728	1.2
70.07800	5.3
71.04992	5.0
76.07291	1.2
79.05495	9.5
81.03421	20.7
81.07069	18.9
83.04965	5.1
83.08621	2.0
85.02904	5.5
85.06553	4.9
91.05485	5.4
93.07050	30.2
95.04964	8.1
95.08615	13.0
97.02901	5.0
97.06532	9.8
97.55207	1.2
99.04468	11.1
101.06037	1.4
103.03943	2.6
105.07036	24.2
107.04957	3.6
107.07873	2.1
107.08601	43.0
109.02879	24.5
109.06521	11.3
109.10180	3.1
111.04440	3.0
111.08074	5.2
113.06036	3.6
117.06986	2.4
119.08597	7.5
121.06535	11.2
121.10148	30.4
123.04486	1.6
123.08096	7.5
125.06001	3.1
127.03917	22.5
127.07560	2.2
131.08600	2.9
133.06517	1.6
133.10150	3.1
135.08052	4.1
135.11676	11.5
137.06010	2.4
139.11182	3.0
145.10121	27.6
147.08072	1.6
147.11710	3.4
149.09648	10.7
151.07558	8.3
161.09653	3.1
163.11188	62.1
164.42357	1.2
167.10680	22.6
169.08611	60.7
173.09668	6.6
181.12262	17.0
185.11731	4.2
191.10681	29.5
207.10184	1.5
209.11739	38.7
227.12787	100.0
245.13806	1.6
248.52808	1.3
255.12222	2.6
269.13947	5.7
289.14362	5.0
317.13889	5.9
335.14908	10.3
353.15955	49.3
355.51474	1.7
371.16992	20.3
389.17883	2.9
510.92828	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93552	0.3
70.06598	0.5
71.54268	0.5
74.02457	0.6
84.04524	0.5
85.02914	0.7
86.09712	0.9
91.05490	1.1
95.83212	0.3
97.02933	0.5
97.06553	0.7
98.97604	0.8
115.05454	0.8
117.05759	0.6
117.07027	0.9
118.06554	17.3
125.06067	0.6
130.06561	1.4
132.08109	4.5
134.97533	0.4
140.02492	0.3
142.06615	1.5
143.07204	3.0
143.10724	0.6
144.08093	11.4
146.06021	60.6
147.04428	0.5
159.09192	5.5
160.07605	1.1
163.03943	0.6
170.06000	4.2
172.62798	0.3
188.07079	100.0
189.07431	0.5
205.09741	49.5
264.50320	0.3
267.11932	0.3
279.84482	0.3
491.16360	0.7
509.17493	1.2
524.63312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	16.4
55.05520	49.8
57.03438	15.8
67.05501	55.1
69.03416	7.7
69.07064	19.1
69.18066	47.4
69.18469	17.7
69.36427	5.6
71.05000	16.4
77.57851	5.7
79.05500	66.1
81.03426	26.8
81.07075	70.9
83.04988	22.1
83.08634	32.1
85.02914	6.8
85.06532	6.7
90.55495	5.4
91.05492	60.3
93.07061	69.8
95.04971	77.3
95.08620	33.1
97.06546	16.8
97.10172	44.7
99.32581	4.8
103.05466	10.4
105.03401	8.7
105.07050	51.5
107.04963	62.4
107.08583	45.2
109.06516	56.1
109.10171	19.5
111.08080	14.8
117.07016	31.0
119.08598	20.5
121.06532	47.9
121.10168	31.0
123.08118	9.4
125.09678	39.0
127.03935	7.5
129.07022	8.5
131.04935	16.0
131.08572	24.2
133.06509	10.9
133.10117	14.0
135.08064	34.6
135.11720	9.8
141.07045	5.4
143.08585	16.6
145.06496	21.4
145.10155	17.4
147.08049	12.8
147.11674	11.2
149.09637	11.9
153.09138	10.0
155.08536	8.4
159.11679	10.3
161.09650	8.4
163.11209	20.0
167.10663	16.7
169.10141	9.7
171.08058	7.7
171.11652	7.4
173.09598	6.3
173.13310	10.7
175.11195	8.0
181.12292	8.1
185.09637	11.1
185.13194	6.7
187.11076	6.8
187.14899	6.8
189.11314	14.3
191.14308	12.7
193.12225	8.0
195.11775	11.2
197.09567	9.7
199.11284	9.7
199.13304	16.2
200.07109	6.4
201.12685	8.9
209.09706	5.8
211.11205	6.0
213.12900	10.1
215.14275	11.5
217.45067	5.6
219.13837	31.0
223.13341	17.6
227.12784	17.8
233.15318	11.3
237.14920	6.2
245.15504	9.4
267.15936	9.6
273.14777	16.5
273.17136	17.5
293.17505	28.6
325.20685	6.0
339.23178	9.8
349.21518	30.7
367.22699	82.9
371.16159	6.6
385.23828	87.0
403.24869	24.9
417.26126	8.7
423.25592	7.2
441.26294	17.6
459.27374	100.0
477.28558	61.7
491.30112	46.2
509.31641	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	508.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62503	1.7
53.03944	4.7
55.01879	3.0
55.05513	6.2
55.14614	1.9
67.05505	9.7
69.03430	10.6
69.07068	3.5
70.13243	6.6
71.05005	5.4
74.09749	1.8
79.05483	9.4
81.03422	15.5
81.07068	13.1
83.04974	6.5
83.08617	2.9
85.02905	6.4
85.06566	1.8
91.05491	7.6
92.36971	1.9
93.07047	7.5
95.04967	6.5
95.08598	10.9
97.02888	7.0
97.06521	4.7
98.20744	2.0
99.04465	10.3
105.07010	11.6
107.04957	16.4
107.08606	9.3
109.02898	13.8
109.06512	6.4
109.10162	40.2
111.04449	5.4
111.08066	2.6
116.88358	1.7
119.08601	14.7
121.06541	2.2
121.10167	5.0
123.04477	1.8
123.08051	2.9
123.11725	1.5
124.87306	1.5
125.06010	3.3
125.09698	1.9
127.03909	9.9
128.06172	3.9
129.07004	3.8
129.09064	1.6
131.08527	2.0
133.06529	2.5
133.10147	12.2
135.08078	2.2
135.11731	2.8
136.06166	4.6
137.09625	57.9
137.13225	2.1
143.08583	12.8
145.10121	5.6
146.07230	1.9
147.08035	16.5
147.65765	1.6
149.09615	2.1
151.07597	2.5
159.07976	1.7
161.09621	98.0
163.11182	6.9
165.09117	91.2
167.10693	2.3
174.06779	2.7
179.10716	9.8
181.12370	1.7
189.09113	23.9
189.12816	2.2
196.20564	2.8
197.15335	1.8
207.10175	100.0
207.13611	3.4
225.11218	46.3
225.14635	7.6
242.21378	3.0
243.12311	6.7
243.15976	4.4
260.22113	2.2
339.84814	1.8
351.14227	3.7
351.17917	3.7
369.15277	13.6
369.18860	2.1
387.16522	20.6
475.38495	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.04403	0.7
55.05507	1.7
56.05028	1.1
57.07082	1.0
58.99590	8.9
67.05495	2.6
69.03436	4.2
69.07062	2.6
70.06584	2.5
71.05004	1.9
71.55035	0.7
72.08134	1.5
72.92506	0.8
75.76357	0.8
76.01827	1.2
76.02232	16.3
79.05507	1.8
81.03413	2.3
81.07053	8.2
83.04977	2.9
84.08131	1.5
85.02909	8.9
86.99057	4.9
87.04451	1.4
88.02212	1.9
88.03981	1.3
91.05473	1.9
93.07036	2.9
94.06560	1.4
95.08609	11.8
97.02883	3.4
97.06555	1.2
98.06053	1.3
99.04466	1.0
100.02202	3.3
100.07607	1.5
104.07075	1.7
105.00088	9.5
105.07049	7.2
107.08624	4.1
109.02885	1.6
109.06496	2.2
109.10144	2.1
111.08115	0.9
116.07072	2.0
119.04961	0.9
119.08605	7.6
120.08108	3.4
121.06499	1.8
121.08457	1.0
121.10133	5.8
122.02731	100.0
123.08070	7.9
125.09612	1.2
127.03901	2.7
133.10138	3.1
134.02708	1.4
135.08060	2.0
135.11684	2.5
137.05991	1.1
137.09587	1.3
137.13257	7.8
139.07552	1.2
142.08629	1.9
145.10138	1.4
146.02716	3.2
147.04416	1.6
147.08026	2.3
147.11703	2.9
147.33281	0.9
149.09651	4.5
151.03897	2.2
151.07552	7.8
151.11238	1.0
153.09155	1.5
154.08646	2.9
154.40765	1.0
158.02768	1.0
159.11731	1.0
161.09669	1.0
161.13243	12.7
163.11192	0.9
164.03764	1.3
165.09091	1.7
165.12718	2.2
167.10678	3.2
171.11693	2.5
174.10391	1.1
179.14313	7.6
189.12756	9.8
195.13782	1.0
207.13811	32.9
213.14911	0.9
225.07561	2.1
225.14857	16.6
243.15915	1.3
248.05864	2.3
260.09207	1.4
284.07974	2.7
328.15833	2.4
346.16846	73.3
433.23062	0.8
454.27795	1.1
508.22336	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3681
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03938	3.4
55.01868	2.5
55.05512	24.1
57.03446	7.8
57.07082	9.6
59.05012	2.6
59.39379	1.4
65.03942	2.3
67.05505	100.0
69.03426	2.4
69.06724	1.8
69.07067	20.4
69.49405	4.5
69.49834	3.8
71.04988	4.5
71.08632	6.5
79.05058	2.2
79.05495	32.2
81.03423	2.8
81.07056	67.2
83.04980	2.3
83.08620	16.2
85.06545	3.7
85.10181	1.9
91.05479	24.6
93.07043	41.3
93.07636	2.2
95.04958	2.6
95.08609	48.3
97.06532	4.7
97.10168	14.7
99.08098	2.2
105.04549	1.4
105.07036	18.8
107.08593	28.3
109.06501	2.6
109.10156	64.3
111.08090	5.7
117.06995	6.9
119.08586	18.6
121.10143	19.6
123.11710	7.8
125.09619	10.2
129.06993	2.5
131.08569	15.7
133.10135	14.9
135.08107	1.7
135.11694	13.9
136.06197	9.9
137.06575	1.8
137.09633	3.9
137.13266	2.9
139.11200	2.9
143.08560	3.4
145.10143	10.5
147.11697	11.3
149.09570	1.7
149.13245	12.8
153.09169	2.6
155.10664	5.3
157.10150	2.1
159.11676	8.9
161.09627	1.6
161.13246	5.5
163.14821	4.4
169.10034	1.8
171.10258	1.4
171.11697	4.9
173.11728	13.4
173.13272	7.5
175.14838	2.5
183.11668	1.9
185.13251	3.3
187.14836	3.5
189.11198	8.5
195.13799	2.2
197.13295	1.9
199.14883	2.1
219.17500	1.4
227.12770	12.3
229.14326	42.6
232.89458	1.2
241.19669	1.3
243.21129	4.6
259.20667	2.7
261.22134	26.9
263.23694	2.6
279.23178	1.8
317.24741	3.8
333.24216	1.7
335.25803	30.1
379.29932	4.4
397.30945	8.5
415.32120	7.9
433.33310	7.1
471.34781	6.6
489.35754	61.7
489.90182	1.2
507.26929	8.6
507.36789	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
53.83157	0.9
55.01868	2.9
55.05513	22.3
57.03444	8.9
57.07077	10.4
59.05000	2.5
65.03940	3.8
66.09093	1.0
67.05511	100.0
69.03426	2.2
69.07074	19.3
69.61093	3.3
69.61507	3.2
71.04993	4.0
71.08631	6.8
79.05144	0.7
79.05497	30.5
81.03442	4.8
81.07063	64.4
82.03747	1.4
83.04968	2.4
83.08632	17.1
85.06543	3.7
85.10195	3.5
91.05486	19.8
93.07053	36.2
95.04974	3.1
95.08616	49.1
97.06535	3.8
97.10183	15.1
98.20779	2.1
99.08114	2.5
100.10305	1.0
105.07044	16.7
107.08604	26.8
109.06539	2.3
109.10165	61.1
111.08105	4.9
113.09650	1.1
117.07028	5.6
119.08595	16.8
121.10152	18.3
123.08100	1.1
123.11732	8.4
125.09640	8.7
129.07016	3.0
131.08569	13.6
133.10130	14.1
135.08067	1.9
135.11707	11.8
137.09592	2.7
137.13277	4.2
139.11220	1.9
142.86055	1.2
143.08569	1.8
145.10136	10.0
147.11697	9.9
149.09619	1.8
149.13283	10.9
150.84024	1.1
155.10706	3.6
157.10072	1.9
159.11708	10.3
161.13280	6.4
163.14862	3.5
171.10310	1.1
171.11734	2.5
173.11749	14.4
173.13287	7.5
175.14864	2.8
177.12743	1.5
183.11676	1.8
185.13336	3.6
187.14848	3.4
189.11174	7.0
193.12166	1.1
195.13849	1.3
201.16458	1.2
213.16452	1.2
221.13423	1.2
223.17155	1.0
227.12790	10.7
229.14362	38.1
231.15843	1.6
241.19621	1.1
243.21100	4.5
254.36621	1.1
257.19025	1.2
259.20590	2.9
261.22144	22.5
279.23416	1.8
285.22125	1.1
289.21768	1.4
317.24820	5.6
335.22018	2.1
335.25827	28.3
379.30127	1.3
397.31055	6.4
415.32104	8.1
433.33417	5.3
449.32364	1.2
471.34705	4.4
489.35767	53.6
507.26166	2.0
507.37064	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3685
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03946	3.2
55.01872	3.2
55.05511	25.4
57.03432	8.1
57.07081	8.6
65.03923	3.7
67.05508	100.0
68.05846	2.0
69.03428	3.2
69.07070	16.7
71.04987	5.6
71.08621	5.7
71.56057	2.6
71.60783	1.5
79.05497	31.4
81.03424	12.8
81.07063	64.7
82.03770	2.1
83.04971	4.3
83.08623	16.3
85.06540	4.7
88.06306	1.7
91.05482	23.0
93.07050	34.7
95.04971	5.3
95.08614	43.1
97.06529	4.2
97.10175	13.8
99.08095	2.4
105.07038	20.4
107.08598	24.3
109.10165	58.4
109.10922	3.0
111.08090	3.4
117.07018	7.1
119.08578	21.8
121.10167	16.8
123.08093	2.3
123.11706	6.4
125.09631	8.6
129.06998	5.4
131.08554	14.3
133.10136	15.1
135.08087	1.9
135.11694	10.9
137.09622	2.6
139.11198	2.3
143.08511	4.2
145.10120	12.0
147.11705	13.4
149.09523	1.9
149.13306	8.8
151.11238	2.4
155.10625	4.1
157.10104	6.2
158.89809	1.8
159.11682	12.2
161.13272	5.5
163.14778	2.1
164.15182	1.9
171.11739	3.9
173.11745	10.0
173.13266	9.8
175.14909	2.2
183.11646	2.6
185.13315	3.1
187.14813	4.0
189.11302	8.7
193.12221	5.8
194.12610	2.1
195.00328	7.8
197.13214	2.8
227.12831	9.1
229.14352	37.7
231.15918	2.7
233.22595	1.9
243.21051	4.0
259.20328	2.0
261.22156	16.6
279.23267	2.4
317.24713	3.9
335.25781	26.7
397.30878	7.2
415.32059	8.0
433.33099	6.0
471.34613	5.3
489.35806	51.0
507.27390	3.6
507.36758	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	507.3685
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
50.49334	1.5
50.55808	1.5
52.83358	1.6
53.03948	3.6
55.01864	1.9
55.05510	28.9
55.36329	1.6
56.43686	1.5
57.03437	9.2
57.07079	12.5
59.05005	5.5
64.78219	1.8
65.03929	1.8
67.05504	100.0
69.03430	1.8
69.07067	18.6
71.04985	6.2
71.08624	9.2
71.56505	2.3
79.05493	30.2
81.03410	8.4
81.07055	67.3
82.03782	2.3
83.04983	3.5
83.08614	19.4
85.06522	3.6
85.10191	2.5
91.05479	25.5
93.07041	37.2
95.04967	4.8
95.08606	47.0
97.06519	2.4
97.10155	15.7
97.63836	1.7
99.08076	3.6
103.57926	1.8
105.07035	19.3
107.08580	31.8
109.06481	2.3
109.10159	63.3
111.08044	4.8
113.03457	4.2
117.07008	9.5
119.08584	22.6
121.10143	21.2
123.08084	1.8
123.11710	9.2
123.12514	2.0
125.09621	13.8
129.07002	4.2
131.08577	12.0
133.10115	14.6
135.08054	2.3
135.11684	14.1
137.09589	3.7
137.13185	4.3
143.08591	4.4
145.10117	11.7
145.41693	1.7
146.09366	1.9
147.11685	13.6
149.09645	2.6
149.13284	10.0
151.11188	1.9
155.10675	3.9
157.10144	5.7
159.11731	13.8
161.13266	5.9
163.14801	3.3
169.10143	1.8
171.11697	5.0
173.11729	13.3
173.13254	8.8
175.14833	3.5
183.11655	2.9
185.13208	2.9
187.14819	4.8
189.11249	4.8
195.00310	37.1
197.00743	2.1
227.12749	14.9
229.14325	40.4
243.21100	4.9
259.20554	3.8
261.22137	21.3
279.23267	2.5
306.08411	1.6
313.27496	8.6
317.24619	3.6
335.25784	27.3
343.44492	1.7
355.46167	1.6
379.29999	3.6
397.31247	9.6
415.32346	9.3
433.33047	6.5
471.34683	5.9
474.54739	2.0
489.35727	60.5
507.26715	9.4
507.37006	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	507.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01894	2.2
55.05510	20.5
57.03432	3.8
57.07074	8.7
61.02911	2.2
61.97116	1.6
65.38401	1.6
66.25018	1.7
66.62003	1.7
67.05508	30.7
69.03424	10.1
69.07073	57.1
70.06613	1.8
70.85347	5.0
71.04989	6.2
71.08620	1.8
72.18238	1.7
79.05499	18.4
81.03411	5.3
81.07058	100.0
81.25089	1.8
81.48329	1.8
82.87336	1.8
83.04982	4.3
83.08628	18.8
85.02903	13.6
85.06552	10.9
91.05479	8.0
93.07053	27.1
95.04986	3.8
95.08614	74.4
97.02885	5.6
97.06537	7.3
97.10175	15.6
99.04469	3.4
99.08099	14.7
105.07040	17.2
107.08601	33.6
109.02876	6.5
109.06500	3.2
109.10162	54.1
111.08086	6.8
111.11720	10.2
113.06018	1.9
113.09639	5.9
118.62717	2.0
118.90907	1.8
119.08570	18.0
121.06482	3.1
121.10149	29.3
123.08076	4.5
123.11713	31.1
125.09640	6.6
125.13288	2.2
127.03891	7.1
127.11201	3.1
128.40331	1.7
131.08554	4.6
133.10139	7.6
135.08060	2.3
135.11708	17.4
137.05972	7.8
137.09644	4.1
137.13249	12.2
139.11185	13.6
143.08572	2.1
145.04964	2.3
145.06459	2.6
145.10150	6.4
147.11732	9.8
149.13278	21.4
151.14882	4.9
153.12758	3.2
157.10107	2.3
159.11731	3.9
161.05978	1.8
161.09578	4.1
161.13258	7.2
163.07477	4.2
163.11238	2.5
163.14836	12.1
165.09117	7.1
165.12784	3.0
165.16460	2.6
167.07045	2.1
167.14340	2.5
171.11565	2.1
175.14803	2.8
177.09161	3.8
177.16406	8.0
179.17984	2.3
181.15865	4.0
185.09566	2.3
189.16479	2.9
191.17958	9.9
203.17990	4.8
205.19553	5.3
207.25380	1.8
209.18999	2.6
217.19508	11.7
223.16742	2.1
223.20554	4.3
235.20586	7.4
247.24310	2.0
253.21619	4.1
261.25839	12.3
273.25800	7.1
279.26831	22.5
279.75174	1.9
291.26801	39.7
309.27887	47.6
327.28687	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	507.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
54.35194	0.3
55.01876	0.5
55.05507	0.8
67.05508	4.7
69.03422	1.3
69.07058	0.7
71.04985	0.5
79.05511	1.7
81.03407	1.2
81.07060	4.4
83.04973	1.1
83.08606	0.4
85.02912	0.5
85.06540	0.5
91.05489	2.2
93.07050	2.1
95.04966	1.5
95.08613	4.1
103.05477	0.5
105.07037	2.2
107.04937	0.4
107.08588	1.8
109.02869	0.7
109.06517	1.1
109.09472	0.5
109.10168	6.1
111.08099	0.7
115.05416	0.7
117.07045	1.2
119.04938	0.5
119.08584	4.1
121.06492	0.5
121.10160	1.3
122.07305	1.6
123.11737	2.6
127.03944	0.4
129.06966	0.8
131.04939	0.4
131.08589	0.9
133.06483	0.9
133.10126	1.0
135.08070	0.6
135.11694	0.8
137.09630	11.8
143.08557	0.7
145.06477	0.6
145.10117	0.8
147.08119	0.6
147.11693	0.4
149.09615	1.1
155.08624	0.4
155.10693	0.3
156.09264	0.4
157.08740	0.5
157.10155	1.1
159.04436	1.0
159.08040	0.9
159.11760	0.8
161.05984	1.7
161.09734	0.4
163.07591	0.5
163.11212	0.4
165.09123	100.0
166.09483	0.6
168.09193	0.4
169.10126	0.5
171.08101	0.3
171.11691	0.6
173.09641	0.4
173.13165	0.3
177.09155	0.4
179.10822	0.4
181.10291	0.4
183.11649	0.3
185.09644	0.4
187.07573	0.3
187.11150	0.8
189.09004	0.4
189.12759	0.4
192.31706	0.3
197.09663	0.4
199.05923	0.5
199.07608	0.5
199.11134	0.5
199.14897	0.4
201.09180	0.3
201.11057	0.3
203.10640	0.9
203.18037	0.6
205.12268	4.3
213.09204	0.5
213.12785	0.5
215.10587	0.5
227.10680	0.7
229.12225	0.6
229.57838	0.4
257.11792	0.4
267.16000	0.6
267.19681	0.6
273.22302	0.4
285.12631	0.3
291.23206	0.8
299.10556	0.4
309.21985	0.8
319.22845	0.6
327.23279	1.1
337.23801	1.5
359.16113	0.7
375.15817	0.5
377.17520	0.5
387.15601	0.8
389.20935	0.4
405.17065	1.4
407.21982	0.4
443.31506	0.7
471.31265	0.7
489.32562	0.7
507.20175	10.7
507.27374	0.4
508.19971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.05513	1.7
56.08960	0.2
57.07076	0.3
65.03940	0.3
67.05508	4.5
69.03414	0.9
69.07077	1.0
69.07375	0.2
69.24054	0.8
69.24493	1.1
71.04984	0.4
79.05507	1.3
81.03415	0.7
81.07064	4.3
83.04980	1.5
83.08589	0.6
85.02896	0.6
85.06540	0.5
91.05486	1.9
93.07039	1.8
95.04960	0.9
95.08605	4.1
97.02892	0.5
97.06516	0.6
97.10178	0.3
99.04436	0.2
99.08047	0.2
105.04572	0.2
105.07024	1.8
107.04962	0.3
107.08610	2.0
108.08871	0.2
109.02862	0.5
109.06519	0.6
109.10162	7.5
111.08071	0.4
117.07027	0.3
119.08580	3.5
121.06542	0.3
121.10151	1.6
122.07286	1.3
123.04382	0.3
123.08062	0.4
123.11723	3.1
125.05973	0.4
125.09628	0.5
127.03914	0.6
129.09111	0.4
130.06517	0.6
131.04878	0.5
131.08601	0.4
133.06487	0.2
133.10118	0.8
135.07967	0.3
135.11699	0.5
137.05992	0.6
137.09622	11.9
137.13226	0.3
139.07545	0.4
142.07744	0.3
143.08504	0.4
145.10112	0.8
147.08055	0.6
147.11694	0.7
149.05954	0.2
149.09560	1.0
149.13258	0.6
151.07582	0.3
155.10684	0.2
157.08603	0.8
157.10109	0.7
159.11725	0.5
161.09621	0.5
163.07558	0.2
163.11185	0.3
163.14851	0.6
165.09117	100.0
166.09383	1.0
169.10147	0.4
171.11707	0.5
173.09625	0.3
173.11879	0.2
173.13286	0.5
175.11197	0.4
177.09135	0.5
181.05011	0.2
183.10184	0.3
183.11719	0.4
185.13268	0.3
187.09666	0.2
187.11188	0.2
189.09120	0.3
189.12843	0.2
191.10657	0.3
193.12263	0.2
199.11183	0.4
199.14885	0.2
201.11078	0.3
201.12767	0.3
203.10701	0.8
203.14351	0.3
203.17950	0.4
205.12251	3.6
205.15808	0.3
207.11778	0.2
209.13155	0.3
213.12694	0.4
214.18071	0.3
215.18279	0.3
221.18971	0.5
223.13326	0.4
223.16899	0.4
239.16422	0.3
245.05983	0.3
259.05347	0.6
267.16003	0.5
267.19592	0.3
287.19891	0.2
289.05368	0.4
291.23148	0.7
319.22717	0.4
325.23743	0.3
337.23868	1.3
355.24869	0.7
387.19528	0.2
389.21173	1.1
407.22308	1.1
425.30502	0.3
443.31467	0.9
471.31146	0.5
489.25443	0.4
489.32059	0.8
507.21677	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	507.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.4
53.41032	0.3
55.05507	1.5
57.07056	0.3
65.03921	0.3
67.05181	0.3
67.05515	4.4
69.03417	0.8
69.07063	1.3
69.20430	2.6
71.04993	0.6
77.61927	0.2
78.90187	0.3
79.05495	1.0
81.03417	0.8
81.07063	4.8
83.04978	1.8
84.72845	0.3
85.02900	0.4
85.06515	0.4
91.05491	1.8
93.07037	2.0
95.04953	0.6
95.08044	0.5
95.08611	3.9
97.02882	0.4
97.06540	0.4
98.21515	0.7
99.04443	0.4
105.07040	1.3
107.04956	0.5
107.08591	1.7
109.06516	0.7
109.10157	6.1
111.08051	0.4
117.07050	0.4
117.69354	0.3
118.07721	0.3
119.08569	3.8
121.06509	0.4
121.10160	1.6
122.07286	2.3
123.08044	0.5
123.11699	3.0
127.03831	0.4
129.09116	0.5
131.04886	0.4
131.08589	0.6
133.10112	0.9
135.08067	0.5
135.11690	1.0
137.05942	0.4
137.09622	12.4
143.08630	0.4
145.10138	0.9
147.08011	0.3
147.11700	0.4
149.09631	1.3
149.13268	0.6
155.10690	0.3
157.08594	0.7
157.10143	0.4
159.11650	0.7
161.09634	0.4
163.11183	0.4
165.09119	100.0
166.09482	0.7
168.16673	0.3
169.10132	0.4
171.11691	0.7
175.11183	0.4
177.09094	0.4
187.11220	0.5
191.10596	0.5
201.11119	0.5
201.12802	0.4
203.10684	1.2
203.18111	0.3
205.12248	3.8
221.19029	0.4
223.16942	0.7
259.05441	0.7
267.15845	0.5
267.19614	0.4
291.23294	0.5
337.23767	1.6
355.24847	0.8
389.21024	1.2
407.22336	0.7
425.30582	0.4
435.30756	0.3
443.31784	0.6
467.28461	0.3
471.30984	0.5
489.32050	0.4
507.21851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51984	2.0
53.03945	4.6
55.05513	13.3
62.99104	2.1
67.05497	11.1
69.03432	7.5
69.07075	9.0
71.56287	2.3
72.08135	2.0
79.05497	15.2
81.07055	27.5
83.04990	9.5
83.08651	4.0
86.09718	2.8
91.05482	16.4
93.07045	20.6
94.44501	2.3
95.04977	6.9
95.08601	21.0
97.06552	3.7
100.07648	3.2
100.11239	10.8
103.05476	45.2
105.07043	19.1
107.04979	6.8
107.08604	20.0
109.06493	10.9
109.10172	6.9
111.04435	10.0
112.07644	3.4
115.05471	2.8
117.07043	5.7
119.08599	24.5
121.06523	4.0
121.10162	7.2
123.08101	6.7
123.11687	2.6
128.06238	3.6
128.07069	3.5
129.06995	6.4
131.04939	100.0
131.08595	14.6
133.06500	2.5
133.10130	21.4
135.08096	10.6
140.07016	2.8
141.06903	2.4
142.07809	8.0
143.08589	12.9
144.09283	2.1
145.06477	9.0
145.10136	24.5
147.08081	6.8
147.11702	8.1
149.09636	13.2
151.11223	3.8
154.12271	6.6
155.08553	9.6
156.09346	6.8
157.10141	29.3
159.08041	12.8
159.11723	13.2
161.05913	3.2
161.09613	8.4
163.11227	5.8
165.09113	2.8
167.08429	3.5
168.09363	2.8
168.13924	3.5
169.10193	10.9
170.10933	6.3
171.08049	5.3
171.11700	18.8
173.09622	8.1
173.13295	6.6
175.07617	2.9
175.11218	3.8
177.09129	3.0
179.08633	5.8
179.10658	4.8
181.10208	6.3
182.11913	3.0
182.15353	14.5
183.08014	4.3
183.11722	27.7
185.09663	7.0
185.13290	10.3
187.11218	4.5
187.14825	2.9
189.09129	2.4
189.12898	4.3
192.09378	2.8
193.10135	8.5
194.10655	2.3
195.08026	4.3
195.11696	9.2
196.08932	2.3
196.13258	3.1
197.09596	4.3
197.13300	8.5
199.11203	9.9
199.14807	3.8
201.12769	9.3
203.14384	3.3
205.10188	2.8
206.10898	4.7
207.11725	12.2
208.12544	3.4
209.09789	2.8
209.13330	11.8
210.14919	10.4
211.11205	10.3
211.14731	5.6
213.12770	9.8
215.10857	2.7
215.14346	7.4
215.93031	2.4
217.10175	5.0
217.12271	7.8
218.10934	3.9
219.11710	5.4
220.12506	4.6
221.13310	9.4
223.11060	2.3
223.14909	7.1
225.12782	4.0
227.14362	4.4
229.12256	6.8
231.11728	4.9
231.13829	6.1
232.12515	6.5
232.44244	2.4
233.13411	4.5
235.11095	2.8
235.14864	9.3
236.11913	2.9
237.12805	2.5
239.14328	3.0
243.13861	5.8
245.13269	3.2
245.15468	3.0
246.14116	4.9
247.14861	12.1
249.12714	5.7
249.16652	2.9
251.14331	12.1
251.17973	4.0
253.15810	2.9
257.13318	5.1
261.16507	4.9
262.17203	2.3
263.14368	5.6
263.17831	2.6
265.15854	4.8
265.19656	3.0
269.15363	5.4
269.19101	2.4
275.18021	8.2
277.16687	2.5
277.19537	13.9
279.17490	7.0
281.19067	4.5
286.13525	3.2
287.17844	7.4
293.18976	12.0
295.20554	7.6
298.24881	4.7
299.16580	3.2
305.18976	24.5
309.21991	2.8
311.20029	3.0
323.20078	51.8
326.27933	4.5
338.23203	2.5
341.21136	52.4
352.37936	2.3
359.22247	25.7
403.19052	2.8
408.28574	3.5
436.31458	2.8
489.26514	5.5
489.38184	2.9
507.28119	9.7
507.38837	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	507.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
55.05497	7.6
59.44778	1.8
64.67101	1.9
67.05498	9.8
69.03437	3.1
69.07059	7.7
69.49098	11.7
77.04669	1.9
79.05497	11.3
81.07059	23.1
83.04977	2.5
91.05486	17.4
93.07049	16.3
95.04967	8.4
95.08619	18.5
97.06552	12.7
103.05470	52.7
105.07044	23.4
107.04975	4.9
107.08606	23.0
109.06537	6.8
109.10145	7.4
111.08067	3.3
115.05456	2.9
117.07016	8.2
117.68536	2.2
119.08595	25.0
121.06522	3.6
121.10164	12.8
123.08094	14.4
124.87791	2.0
125.06008	2.3
128.06221	3.1
129.07039	9.3
130.07788	2.0
131.04941	100.0
131.08589	15.7
133.06517	2.3
133.10153	27.5
135.08057	18.5
135.11678	3.1
137.09593	5.4
139.07555	3.0
141.06981	5.8
142.07811	9.7
143.08588	20.0
144.09317	4.7
145.06479	2.5
145.10109	25.6
145.11145	2.5
147.08067	8.9
147.11682	6.3
149.09628	8.3
153.07002	2.4
154.07753	3.4
155.08591	12.0
156.09381	15.2
157.10149	30.9
158.07379	2.1
158.10924	4.6
159.08072	6.8
159.11717	22.4
161.09694	11.8
161.13249	2.8
163.11183	6.2
163.42639	2.4
166.07825	2.3
167.08574	5.7
168.09393	6.3
169.10114	23.2
170.10915	11.3
171.08101	4.9
171.11719	33.5
173.09628	7.2
173.13286	14.9
175.11197	5.4
177.09077	2.6
177.12752	2.2
179.08560	6.8
181.10147	7.6
182.10919	8.3
183.08012	3.0
183.11720	21.8
184.12465	5.7
185.09616	7.5
185.13261	13.0
186.10381	2.3
187.11169	13.6
187.14807	5.1
189.12781	4.7
191.08632	1.9
191.14339	2.1
193.10225	7.0
194.10902	2.8
195.11649	10.0
196.12488	4.7
197.09662	3.7
197.13307	18.4
198.13992	2.6
199.11172	12.8
199.14841	16.8
201.12733	24.9
201.16365	4.6
203.10672	2.8
203.14339	2.5
206.10884	3.2
207.11719	7.4
208.12517	6.0
209.13252	16.6
210.13785	2.9
211.11162	7.5
211.14818	20.4
212.11835	3.5
213.12738	10.5
215.14357	12.9
216.09439	2.2
217.10176	3.1
217.12128	3.6
217.15961	6.5
219.11761	4.6
219.13840	6.5
221.13295	9.8
223.11224	3.8
223.14862	4.2
225.12720	6.9
226.13527	2.8
227.14337	26.8
229.12334	10.2
229.15837	15.0
231.11722	2.5
231.13818	4.0
233.13231	2.9
234.10307	2.3
234.14037	3.6
235.11124	2.5
235.14766	6.5
237.12741	5.7
237.16423	3.4
239.14496	2.4
243.13829	14.6
244.14603	3.7
245.13324	2.7
245.15398	52.5
246.14072	2.3
247.14810	4.5
247.17064	4.4
248.15541	2.5
249.12772	4.0
249.16370	5.3
251.18053	4.8
257.13284	2.6
261.16483	3.3
263.14066	2.2
265.15973	5.7
267.17383	2.3
275.14545	3.8
275.17798	3.8
277.19614	4.5
279.17508	6.3
281.15497	2.4
281.18991	2.9
293.19016	7.6
295.20584	10.0
297.18616	3.1
305.19089	11.3
311.20084	8.7
313.21555	4.0
323.20068	71.5
341.21115	86.7
359.22192	22.2
363.38477	2.3
376.44058	2.4
376.50269	1.9
397.24075	2.1
471.25223	3.5
489.26569	11.1
507.20596	2.5
507.27512	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	507.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
55.05500	4.2
67.05505	6.7
69.03414	2.5
69.07050	4.2
69.38805	6.0
69.39206	3.0
75.70361	1.2
77.12125	1.1
79.05495	8.0
81.07066	16.7
83.04971	3.0
91.05489	8.7
93.07040	11.4
95.04966	4.2
95.08614	14.8
95.27058	1.1
97.06529	1.5
103.05473	47.3
105.07048	15.9
107.04967	2.8
107.08585	11.0
109.06516	6.9
109.10142	4.8
111.08076	2.1
115.05392	1.6
117.07002	3.5
119.08596	15.4
121.06486	2.2
121.10152	8.7
123.08063	5.3
128.06244	2.7
129.07008	3.1
130.07770	2.3
131.04935	100.0
131.08548	10.4
133.06444	2.0
133.10133	13.6
135.07060	1.1
135.08043	4.4
137.09616	1.5
141.07005	1.8
142.07716	7.1
143.08574	9.6
144.05736	1.2
145.06474	4.9
145.10118	17.3
147.08057	3.4
147.11707	3.4
149.09625	8.2
151.11212	1.3
153.06958	1.6
155.08574	5.1
156.09337	8.3
157.10127	17.2
159.08078	10.0
159.11707	9.4
161.09659	6.2
161.13226	2.2
165.06989	2.3
166.07819	1.9
167.08569	2.6
169.06517	1.3
169.10107	8.4
170.10953	3.1
171.08064	3.0
171.11699	15.9
173.09615	5.5
173.13225	5.0
175.11256	2.3
179.08557	3.6
179.10721	2.7
181.10101	5.5
182.10873	2.3
183.07997	2.2
183.11708	11.3
185.09578	4.6
185.13211	7.2
185.14789	1.2
186.10402	1.8
187.07484	2.3
187.11122	3.3
187.14812	2.4
189.09123	1.8
189.12697	1.5
191.08636	1.7
192.09337	2.7
192.35033	1.1
193.10100	5.2
194.10928	2.8
195.08009	4.9
195.11684	8.7
196.08894	2.5
196.12509	1.3
197.09610	3.7
197.13304	8.9
199.11191	8.4
199.14851	1.8
201.12794	5.5
203.10530	1.3
205.10124	2.1
206.10901	4.7
207.07991	1.5
207.11748	7.5
208.12405	1.6
209.09615	2.7
209.13228	9.6
211.11142	6.1
211.14835	2.9
213.12720	7.4
215.14368	5.2
217.10049	4.2
217.12222	6.1
218.10957	1.9
219.11746	3.5
220.12587	2.5
221.13264	8.6
222.14041	1.9
223.11176	3.4
223.14795	4.6
225.12703	2.6
225.16396	2.1
227.14453	1.3
229.10258	1.5
229.12288	5.3
231.11630	4.1
231.13809	8.0
232.12440	2.8
233.13260	4.8
233.15372	2.1
235.11246	2.7
235.14828	7.1
237.12668	2.2
237.16301	2.7
239.14297	2.3
241.12331	1.3
243.11569	2.3
243.13832	2.3
244.12413	1.8
245.13281	3.7
246.14049	3.3
247.14836	9.6
248.15700	1.3
249.12767	4.3
249.16374	3.4
251.14313	11.3
251.17952	2.6
253.12259	1.5
253.15866	1.7
257.13214	3.8
258.13986	1.6
260.15649	1.4
261.16339	5.0
262.17294	2.7
263.14380	5.9
263.17917	3.1
265.15915	3.8
265.19525	3.7
267.13733	2.9
267.17334	1.8
269.15271	4.2
269.18826	1.7
272.15576	3.1
273.16092	1.2
275.14343	3.1
275.17932	7.7
277.19562	16.8
279.17444	4.4
281.15829	1.6
281.18970	6.3
287.17844	6.2
290.16583	2.6
293.18994	7.7
294.02164	1.2
295.20529	8.3
297.18304	2.0
299.16452	1.7
305.18991	24.6
311.20132	2.7
313.21661	2.2
323.20074	40.2
341.21103	40.6
351.99777	1.2
359.22256	15.2
379.51407	1.1
387.19473	1.8
398.65680	1.3
412.99402	1.1
489.26450	2.2
507.27762	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	506.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10523	0.5
55.01872	0.8
57.03433	1.1
61.02913	1.6
69.03419	2.7
70.02694	1.7
70.06579	1.4
72.08135	0.5
73.02911	0.5
81.03419	1.0
84.04404	0.5
85.02911	7.8
86.09691	0.6
91.05465	0.7
93.07046	0.6
97.02877	1.9
100.07652	1.0
100.68487	0.5
103.05460	0.5
103.64066	0.5
105.07058	0.6
109.02901	0.9
115.05441	5.4
117.07048	0.8
119.04919	0.8
119.08611	0.7
121.06468	1.5
125.06044	0.9
127.03919	1.4
129.06944	0.8
131.04933	2.2
133.06480	0.9
137.05962	0.9
141.06985	2.0
143.04927	15.6
144.05586	0.7
144.06586	1.2
145.05003	0.7
145.06473	1.4
146.03690	0.7
147.04402	3.9
149.05997	2.2
153.05482	1.4
157.06496	1.2
157.32864	0.5
159.04387	1.0
160.05203	4.9
161.05978	14.8
162.06754	0.9
163.07539	1.8
165.05481	0.9
169.06470	2.2
171.04425	13.6
175.07562	28.8
176.04709	1.6
177.05472	10.0
177.09004	0.6
179.07007	1.7
185.05992	1.2
187.07600	2.7
188.04645	1.0
189.05470	9.5
189.09143	1.0
190.06305	1.0
191.07033	7.2
195.06534	1.2
197.06049	0.8
199.03911	1.4
199.07593	1.1
200.04579	0.7
201.05453	1.8
201.09174	1.0
203.07039	53.3
205.04915	1.4
205.08614	1.0
205.12354	0.7
207.06497	1.7
212.04755	1.6
213.05513	0.8
214.06303	1.0
215.07031	2.6
217.04977	8.4
217.08580	2.2
219.06541	3.7
221.08067	4.5
223.13255	0.7
227.07042	7.8
229.08638	2.8
231.06514	11.4
245.08098	7.1
247.06111	1.1
247.09537	0.7
249.07599	100.0
250.07996	0.7
255.06631	0.7
261.07550	1.2
263.09232	3.7
265.10712	0.7
273.07608	13.4
291.08627	9.9
299.59692	0.7
309.09689	10.7
315.13504	0.7
417.12527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01871	3.7
55.05504	3.0
59.96452	1.2
62.06084	2.6
67.05505	4.6
69.03426	14.8
69.07054	4.3
71.04969	3.6
71.55165	1.3
73.02916	2.8
79.05495	5.7
81.03419	11.7
81.07050	8.4
83.04984	3.5
83.54533	1.4
85.02911	11.0
85.06544	1.5
86.06050	1.7
91.05489	20.2
93.07047	12.9
95.04966	3.4
95.08627	6.5
95.09115	1.3
97.02908	15.6
97.06527	1.9
99.04453	4.1
100.07632	1.6
103.05482	2.4
105.07041	31.0
107.04964	5.1
107.08619	6.5
109.02895	8.3
109.06551	1.8
109.10154	3.2
111.04443	4.5
115.05437	2.3
116.06243	3.2
116.10748	1.5
117.07027	2.4
119.04903	1.7
119.08590	5.0
120.08128	2.3
121.06516	19.7
121.10142	5.8
123.08104	1.7
123.11715	1.9
127.03934	8.2
128.06213	2.6
129.07010	4.0
131.04935	6.6
131.08577	64.8
132.05705	1.7
133.06483	2.8
133.10150	31.6
135.08127	2.6
135.11725	1.7
137.05966	4.8
141.06970	4.3
141.94684	1.4
143.08560	4.0
144.05676	3.2
145.04980	3.5
145.06453	1.8
145.10078	1.9
146.07257	4.7
147.04405	1.5
147.11682	3.1
149.05969	5.3
149.09579	11.5
151.07526	2.0
153.03737	1.3
155.08611	1.3
159.08066	100.0
161.09630	79.2
163.07518	2.9
165.09134	5.8
166.09488	1.8
167.07204	1.3
170.42003	1.5
177.09120	43.0
181.05009	1.4
187.07562	17.5
187.11240	1.8
198.18532	3.3
205.08611	85.2
223.09726	7.9
223.13333	3.5
239.10654	1.8
240.19675	1.6
241.14270	1.5
258.20547	4.1
288.05847	2.7
303.12476	1.3
313.10788	1.5
326.23288	2.0
331.11725	8.3
344.24280	6.0
349.12833	18.4
367.13934	17.7
403.98206	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01882	5.7
55.05516	1.7
57.03432	3.5
61.02929	1.8
61.60174	1.5
67.05496	2.7
69.03435	10.4
69.07055	1.9
70.06629	1.6
70.35979	4.2
79.05510	1.8
81.03413	3.4
81.07051	2.0
83.04990	5.1
85.02923	14.3
87.00830	3.0
91.05485	10.0
93.07059	28.5
95.01324	5.9
95.04989	6.0
97.02897	7.4
100.07614	2.1
103.03938	2.3
103.05491	4.6
105.01894	3.2
107.08605	2.6
109.02912	3.6
109.06499	2.4
109.10203	1.7
111.08056	1.9
115.05477	4.7
115.26093	1.8
117.07047	1.9
121.06521	54.1
125.06028	3.4
127.03941	5.6
127.07560	4.0
129.06960	2.6
129.71855	1.6
131.04933	7.1
133.06497	2.2
137.06009	2.8
137.09654	2.2
139.07652	2.1
141.07042	4.1
143.04953	14.5
145.02841	3.1
145.04997	2.7
145.06479	2.7
147.04449	4.7
149.05991	7.3
149.09648	5.0
151.04010	2.1
153.05493	9.1
155.10677	3.1
159.11732	5.0
160.05240	3.7
161.05991	21.7
163.07602	3.3
163.11160	2.1
169.06512	4.3
171.04433	12.9
173.06093	1.6
175.03984	5.4
175.07562	35.3
177.05484	44.1
177.12770	1.7
179.07080	3.9
179.10666	3.4
185.05995	2.0
187.07608	9.8
187.11224	2.1
189.05513	12.5
189.09079	2.7
191.07050	6.5
193.04938	2.0
193.12262	2.0
195.06650	3.2
199.03992	4.4
199.07773	2.5
201.05516	3.8
201.09210	2.2
203.07053	59.1
205.04948	3.8
205.08650	2.4
205.12253	41.5
207.06506	21.2
212.04645	2.9
213.05455	1.7
215.07043	3.1
217.05020	6.8
217.08542	4.6
219.06589	7.9
221.08141	9.8
223.13321	37.6
227.07072	24.8
229.08646	4.8
231.06566	18.3
233.08130	2.9
241.14478	4.7
245.08119	34.5
247.06099	3.0
249.07613	100.0
255.06589	2.0
263.09164	4.4
267.08844	2.6
273.07614	62.5
279.09024	2.3
291.08636	24.3
309.09723	45.8
396.41592	1.9
413.23254	1.6
435.12628	2.1
465.03476	2.0
465.10190	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12471	1.0
52.59513	1.2
53.03946	2.3
55.01857	2.3
55.05513	10.9
56.84766	1.0
57.03442	1.2
57.07079	35.6
65.03930	1.2
67.05511	21.4
69.03429	1.7
69.07067	10.9
71.04997	1.5
71.08641	23.9
79.05501	12.2
81.03424	63.6
81.07066	26.1
83.04969	3.4
83.08619	24.3
83.09114	1.5
85.10201	10.0
86.08835	1.0
91.05486	14.7
93.07056	9.1
95.04976	18.6
95.08615	24.9
97.02920	1.5
97.06528	1.1
97.10185	8.2
98.21492	2.9
105.07035	8.5
107.04948	4.0
107.08589	3.2
108.07644	1.2
109.06536	2.0
109.10141	9.1
111.04464	1.7
111.08092	6.3
119.08607	8.3
121.06538	2.4
121.10165	5.3
123.11690	3.0
129.07019	10.2
131.08597	4.4
133.06587	1.8
133.10159	2.9
135.11734	1.8
137.13309	2.7
147.08090	3.2
147.11696	4.2
149.09657	3.1
157.10124	7.9
165.12881	1.3
175.11211	6.1
193.12256	20.8
237.22089	1.3
239.23662	5.4
249.14911	4.3
454.34369	1.2
505.22464	4.8
505.38895	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01863	1.7
55.05510	9.9
57.03421	1.0
57.07074	32.9
57.47448	0.5
59.04972	0.5
65.03938	1.4
67.05502	27.7
69.03422	1.4
69.07069	9.0
69.29172	2.0
69.29599	2.2
71.04987	1.5
71.08629	25.3
72.82161	0.5
79.05491	14.0
81.03416	73.4
81.07057	25.3
81.07433	0.3
83.04973	2.6
83.08616	23.5
85.06557	1.2
85.10181	13.0
89.63692	0.5
91.04897	0.9
91.05478	18.5
93.07044	9.2
95.04966	19.3
95.08602	25.6
97.02879	2.5
97.06536	1.2
97.09626	0.7
97.10178	6.5
99.08101	0.9
105.07033	11.1
107.04956	4.4
107.08585	4.0
109.05895	0.5
109.06512	2.9
109.10157	14.5
111.04443	0.9
111.08083	5.7
111.11720	1.3
112.60513	0.5
115.05454	0.6
117.07049	1.4
119.04934	0.6
119.07726	0.4
119.08580	10.5
121.06507	1.9
121.10120	5.1
123.04447	1.8
123.08053	0.9
123.11676	4.4
125.09648	0.7
125.13217	0.6
126.05479	0.5
128.06238	0.9
129.07007	7.1
131.08557	6.2
133.06535	2.9
133.10127	3.0
133.44995	0.6
135.11688	1.5
137.09653	1.3
137.13251	1.7
142.07803	2.7
143.08569	0.6
145.10149	1.3
147.08054	3.1
147.11688	6.2
149.09628	3.0
149.13271	0.6
151.14825	0.7
157.10133	8.2
161.13303	0.8
165.12807	1.5
171.11780	0.7
173.11726	0.6
175.11179	7.5
179.14311	2.5
193.12236	42.5
205.12270	0.6
221.22649	0.7
231.13835	1.0
239.23694	8.4
249.14900	6.6
277.21594	2.3
333.24225	0.7
505.38980	100.0
506.39005	0.6
522.27936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29932	0.5
53.03943	3.1
55.01880	1.1
55.05510	11.2
57.03432	1.1
57.07075	31.8
63.37550	0.4
65.03932	1.2
67.05503	22.7
69.03425	1.3
69.07070	8.9
69.20005	5.0
71.04990	1.1
71.08630	21.0
79.05489	10.6
81.03418	69.2
81.07055	23.9
83.04980	2.6
83.08618	20.5
85.06543	1.0
85.09674	0.4
85.10180	12.0
91.05479	14.1
93.07053	7.7
95.04967	18.0
95.05564	1.0
95.08606	22.2
97.02905	1.8
97.06521	1.2
97.10168	6.7
98.20689	1.0
99.08090	0.5
99.11738	1.1
103.05557	0.5
105.07030	9.2
107.04964	3.9
107.08595	2.5
109.06528	2.2
109.10159	10.6
111.04474	1.1
111.08076	5.7
111.11735	1.1
115.05445	1.2
116.06232	0.5
117.07034	1.7
119.04971	0.9
119.08579	8.3
121.06550	1.5
121.10140	4.1
123.08118	1.0
123.11732	4.0
125.09642	1.0
125.13302	1.3
128.06232	0.6
129.07002	7.9
131.08556	5.1
131.09402	0.5
133.06494	2.4
133.10114	2.8
135.08105	0.6
135.11711	0.7
137.09666	0.6
137.13286	1.6
142.07790	1.6
145.10101	0.8
147.08107	2.1
147.11661	4.3
149.09612	3.2
149.13197	0.8
151.14763	0.6
157.10143	6.5
165.12746	1.2
175.11163	6.7
185.13283	0.6
189.11287	0.6
193.12239	29.2
196.78590	0.5
221.22809	0.8
231.13943	0.7
239.23708	8.2
245.10136	0.5
249.14818	5.3
375.39490	0.6
505.23849	2.3
505.39160	100.0
506.38940	1.2
526.65375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.05519	24.7
57.03413	2.9
57.07060	6.0
57.35426	2.6
67.05509	35.3
69.03439	19.8
69.06784	2.3
69.07079	29.2
71.04984	5.9
71.08626	2.3
71.55713	3.3
72.08150	8.2
79.05505	16.2
79.05892	2.8
81.03418	19.9
81.06596	2.7
81.07061	53.3
83.04977	8.5
83.08612	19.0
85.02907	15.5
85.06528	11.5
91.05470	10.2
93.07063	18.0
95.04948	7.0
95.08620	39.1
97.02892	8.8
97.06514	5.7
97.10188	13.8
99.08092	11.9
105.07035	25.3
107.04967	4.8
107.08599	24.5
109.02866	9.6
109.06529	4.3
109.10163	100.0
110.10526	2.5
111.04422	7.8
111.08138	6.7
111.11720	6.7
113.09681	4.2
115.38689	2.6
117.07014	5.4
119.08608	20.2
121.06604	2.9
121.10124	16.5
123.08057	3.5
123.11719	28.4
125.09618	6.4
127.03922	20.8
127.07588	3.8
127.11208	54.2
129.06995	4.1
131.08563	8.5
133.06520	4.7
133.10164	14.9
135.08067	5.4
135.11681	8.4
137.05962	3.9
137.09595	3.6
139.11185	7.7
142.07764	4.4
143.08554	7.1
145.04915	4.3
145.10117	11.0
147.07970	5.4
147.11722	15.0
149.09659	4.1
149.13219	7.1
151.07584	3.3
151.11195	4.8
157.10100	7.5
157.12241	4.0
159.08026	4.8
159.11676	9.4
161.09586	3.5
161.13277	10.0
163.07553	3.8
163.11183	3.7
163.14835	8.1
165.09099	7.9
165.12811	5.6
169.10048	3.7
171.11707	13.6
173.09639	3.3
173.13206	5.5
175.11154	5.7
175.14839	6.2
179.17944	6.3
181.10135	4.0
183.11700	15.9
183.13580	2.6
185.09700	4.3
185.13261	5.0
195.11732	5.1
197.13065	3.6
199.11176	7.3
201.12726	4.9
201.16391	2.8
203.18008	17.7
207.11800	3.2
213.12735	6.4
219.17465	3.7
221.19023	28.6
223.14941	3.4
231.13719	3.2
237.16417	3.1
239.20070	28.4
245.15318	4.7
253.56287	2.6
255.06500	5.3
256.06866	4.3
257.07068	3.7
281.15253	3.6
308.29504	5.7
325.32123	3.5
329.21201	7.9
343.33206	14.3
347.22290	15.1
365.23395	24.9
369.20688	37.5
383.24255	25.6
401.25360	7.8
469.22348	3.3
487.23389	10.4
505.24686	8.7
505.38400	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	505.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60425	1.8
52.23782	1.7
53.03949	4.6
55.01878	2.8
55.05515	32.0
57.03439	3.1
57.07079	13.0
59.04984	2.8
61.02925	2.6
63.05336	2.4
67.05508	30.9
68.97724	2.0
69.03436	16.6
69.07071	69.5
71.05001	14.6
71.08619	3.2
79.05499	12.8
81.03415	18.0
81.07059	61.8
83.04967	12.9
83.08619	40.4
85.02905	15.5
85.06551	8.3
89.06030	2.7
91.05477	10.2
93.07044	31.1
95.04961	7.8
95.08604	58.1
95.29957	2.4
97.02882	19.9
97.06531	9.6
97.10162	38.3
98.12497	1.9
98.21612	3.1
99.04451	6.3
99.08089	6.0
105.07030	31.0
107.04963	5.8
107.08603	36.0
109.02878	9.5
109.06541	5.3
109.10159	100.0
111.04433	4.9
111.08074	8.1
111.11720	24.3
112.05240	1.8
113.05987	2.9
117.07022	6.3
119.08569	29.2
121.06487	6.4
121.09326	2.5
121.10152	36.4
123.04433	3.2
123.08082	4.5
123.11710	65.9
125.09647	10.1
127.03910	16.9
127.07559	2.6
127.11211	10.5
129.06961	3.3
129.09084	3.1
131.04903	3.3
131.08575	9.7
133.06502	3.8
133.10120	18.0
133.56683	1.9
135.08041	5.5
135.11722	11.3
137.05989	3.3
137.09630	5.8
137.13232	9.4
139.11172	29.1
143.08560	7.0
143.10675	3.8
145.04941	3.4
145.06474	4.1
145.10155	12.2
147.08072	3.6
147.11682	30.8
149.09581	7.3
149.13245	25.7
151.11188	6.2
153.12691	4.1
156.09311	3.1
157.10222	10.8
157.12244	35.3
159.08096	2.5
159.11711	9.5
161.06096	2.5
161.09679	2.6
161.13260	12.5
163.11143	5.6
163.14821	9.6
165.09132	4.8
165.12764	18.5
167.08588	2.6
169.10088	3.2
169.12210	4.2
171.08090	2.3
171.11642	12.7
173.09534	4.3
173.13249	5.4
175.14828	8.3
177.12802	3.2
177.16380	4.9
179.17949	13.0
181.10010	3.0
183.11710	15.2
183.13739	14.3
185.09615	4.1
185.13272	8.5
187.07472	2.2
187.11237	3.4
189.12714	3.0
191.14307	3.8
193.10107	3.6
199.11166	4.7
201.12770	3.2
201.16359	3.8
203.17944	34.5
209.13188	2.5
211.11229	4.1
213.12714	9.1
219.17436	15.2
221.13309	3.4
221.19005	79.6
229.12213	3.2
233.15375	2.6
233.18973	3.3
237.18489	38.6
239.20059	20.3
243.13924	3.4
245.15367	4.1
247.11316	2.4
257.21112	7.2
263.20084	4.9
271.15497	2.8
291.16376	2.5
303.17371	2.3
309.16806	2.3
320.51440	2.1
329.21005	12.3
339.37997	2.3
347.22278	18.3
365.23245	60.5
369.20602	42.8
383.24338	32.3
401.25290	17.2
405.20493	3.5
455.20483	4.9
473.21704	6.1
487.23318	9.8
490.72235	2.9
505.24377	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81094	3.7
53.03943	8.3
55.01863	7.9
55.05515	37.4
56.83220	3.9
57.03426	9.5
57.07069	8.8
59.04993	5.8
61.02919	5.5
67.05507	54.5
69.03433	56.2
69.07072	64.0
70.94542	9.8
70.94914	7.5
71.04973	18.8
73.06555	5.7
79.05484	39.4
81.03425	37.8
81.07062	89.2
83.04993	8.5
83.08623	37.2
85.02902	44.4
85.06528	17.9
87.00826	17.4
91.05482	57.1
93.07050	72.2
95.04958	16.4
95.08051	8.5
95.08610	100.0
97.02895	29.9
97.06551	34.0
97.10162	35.6
99.04449	12.1
99.08070	9.6
105.07026	82.9
107.04971	5.6
107.08605	86.4
109.02849	13.0
109.06510	16.9
109.10155	89.6
111.04419	9.5
111.08106	25.8
111.11700	15.7
111.97670	4.3
113.09641	13.3
117.07018	15.0
119.08590	84.2
121.02965	4.0
121.06536	10.1
121.10162	64.4
123.04406	5.0
123.08096	25.6
123.11713	58.6
125.09671	21.1
127.03900	26.7
127.07525	5.8
127.11164	4.5
127.50178	4.0
128.06262	8.4
129.06998	15.6
129.09120	7.4
131.04898	8.4
131.08588	43.0
133.10126	64.9
135.08075	21.7
135.11713	31.7
137.05983	13.4
137.09602	18.9
137.13242	15.6
139.07533	9.0
139.11174	17.1
139.14714	4.7
141.06938	7.1
141.09071	5.4
142.07784	13.8
143.08571	38.1
144.09296	7.0
145.04970	9.5
145.06470	5.8
145.10110	74.5
147.04408	5.0
147.08031	10.7
147.11699	49.1
149.09618	18.1
149.13234	17.4
151.11192	10.8
155.08525	19.8
156.09370	11.0
157.10150	53.6
157.12219	32.5
158.07141	6.4
159.08028	8.2
159.11705	63.4
161.09651	15.1
161.13271	26.3
161.37996	5.3
163.11177	11.3
163.14815	12.9
165.09114	44.7
165.12740	11.2
167.08621	10.9
169.10155	26.3
169.44023	4.7
170.10956	10.5
171.11700	36.3
173.09608	9.0
173.13245	29.7
175.11220	11.0
175.14839	19.6
177.12759	14.6
177.16345	9.5
179.08620	6.6
179.17934	9.9
181.10106	9.2
182.10976	8.1
183.11679	30.8
183.13783	6.5
185.13249	57.0
187.11183	13.8
187.14777	18.4
189.16399	9.2
191.14336	7.9
193.10141	7.1
195.11725	28.2
195.13722	8.4
196.12485	7.0
197.09529	7.0
197.13268	46.6
199.11047	6.5
199.14844	33.5
199.68159	4.9
200.15581	4.8
201.12718	15.3
201.16353	9.6
203.10674	4.7
203.14369	9.0
203.17960	21.7
204.18147	6.8
205.12242	7.9
205.15991	6.2
207.11649	9.3
208.12576	5.8
209.13234	25.0
211.11223	6.8
211.14841	18.6
213.12801	8.4
213.16397	15.1
215.14314	25.6
217.15857	12.9
219.11659	6.6
221.13431	8.0
221.15410	9.7
221.18985	35.6
222.13963	6.6
223.11346	5.7
223.14838	18.0
225.16353	13.5
227.14392	5.4
227.17941	9.9
229.15868	5.1
231.17351	5.4
233.15334	6.1
235.14781	8.0
237.16377	15.4
239.18031	8.0
239.19992	27.5
241.15837	8.2
243.17665	5.2
247.17078	6.6
249.16376	8.9
251.17792	6.3
253.19437	8.6
255.17386	6.7
257.18985	5.7
257.21176	43.3
263.17929	8.5
269.19009	8.7
289.19223	6.3
291.20999	8.2
309.22015	13.8
311.23596	12.7
320.85129	4.7
329.20895	5.6
347.22519	4.8
353.24484	6.4
361.25201	5.4
367.26160	6.4
369.20328	6.5
371.26147	6.2
379.26288	31.7
383.29514	7.4
385.20120	8.1
397.27539	55.9
401.30704	6.2
405.31564	6.6
407.24210	10.8
411.29059	7.2
415.28513	11.2
421.31070	6.1
433.30829	27.3
445.22278	6.4
451.23337	13.7
451.32129	49.7
469.33463	61.6
487.24100	5.0
487.30084	13.3
487.34970	6.4
505.21634	34.9
505.35596	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
55.01861	3.9
55.05510	17.8
57.03429	5.3
57.07081	2.7
59.04984	2.3
61.74555	2.2
65.03919	2.7
67.05512	20.5
69.03436	12.9
69.07069	13.5
69.59992	2.0
69.64030	7.5
69.64436	5.4
69.66325	2.2
71.01362	3.4
71.04990	5.0
71.08630	5.5
79.05485	23.3
81.03412	8.7
81.07059	35.8
83.04986	11.5
83.08612	8.4
84.05301	2.8
85.02910	11.8
85.06535	5.8
86.06058	14.2
86.09681	3.6
87.06422	3.0
91.05478	32.2
91.66479	2.2
93.07050	37.5
95.04967	10.2
95.08604	37.7
96.08119	3.8
97.02872	7.0
97.06528	6.1
97.10130	4.5
98.09698	6.9
98.20809	2.7
99.04448	4.8
99.08086	8.4
101.20416	2.3
103.05457	2.4
105.07033	52.5
107.04947	3.8
107.08595	40.3
109.02878	6.8
109.06512	17.3
109.10166	24.7
111.04445	7.2
111.08064	5.1
113.52412	2.2
115.05452	5.3
116.10735	16.1
117.07022	15.8
117.11072	4.9
119.04870	2.5
119.08582	54.7
120.08115	6.0
120.08913	3.2
121.06501	5.7
121.10158	21.8
123.08070	12.4
123.11722	5.6
125.09616	5.0
127.03893	5.7
127.07523	2.5
128.06194	10.4
129.05542	2.5
129.06999	16.0
130.07756	5.6
131.08565	29.8
133.10129	31.0
134.09630	2.9
135.08025	9.7
135.11674	9.2
137.05954	7.7
137.09598	9.3
139.07489	4.4
141.06985	12.2
142.07755	12.9
142.08655	5.4
143.08551	46.0
143.10652	2.8
144.09315	4.9
145.06433	2.9
145.10138	35.5
147.08031	6.4
147.11678	23.6
148.12013	2.6
149.09602	7.9
149.13268	5.3
151.07492	5.7
151.11145	3.1
153.06995	6.0
153.09108	3.2
154.07741	5.1
155.08551	30.9
156.09329	10.8
157.10133	62.6
159.08020	10.4
159.11716	31.1
161.05980	3.9
161.09622	9.5
161.13263	9.1
163.07539	4.3
163.11180	3.9
163.14804	3.0
165.06996	13.1
165.09137	22.4
165.12796	3.4
166.07715	4.9
167.07143	4.4
167.08543	12.0
167.10738	3.3
168.09328	6.4
169.10132	32.5
170.10762	3.2
171.08003	4.0
171.11653	28.4
173.09613	6.9
173.13237	14.6
175.11180	7.4
175.14795	4.2
177.09131	8.4
178.07695	5.3
179.08551	22.8
180.09366	11.6
181.10106	31.7
182.10893	8.0
183.11685	39.1
185.09624	5.2
185.13263	19.3
187.11163	7.6
187.14781	5.9
189.12814	3.5
191.08553	6.2
191.10666	7.4
192.09357	6.6
193.10117	24.5
193.12201	8.9
194.10922	13.8
194.12515	3.9
195.09979	1.9
195.11703	37.0
196.12454	8.9
197.09668	4.4
197.13283	31.0
198.13940	2.8
199.11206	6.2
199.14830	7.1
201.09126	3.5
201.12785	6.3
203.10658	5.3
203.14291	5.5
203.17938	4.7
204.18361	5.1
205.10089	7.5
205.12105	4.4
206.09151	3.2
206.10919	16.6
207.11725	34.5
208.12466	4.7
209.13271	46.1
210.13954	5.6
211.11302	6.2
211.14792	23.8
213.12744	6.3
213.16281	5.4
214.17882	2.8
215.10628	9.7
215.18352	3.2
217.12041	4.6
219.11673	10.7
219.13647	4.4
220.12360	8.0
221.09781	3.5
221.13277	51.9
221.15280	4.5
222.11954	3.5
222.14011	5.8
222.19246	3.7
223.14813	33.3
224.15512	3.1
225.12823	3.9
225.16373	10.6
226.14532	11.7
227.10670	4.4
227.14679	19.8
229.12268	9.2
229.15604	2.9
231.11729	3.1
233.13234	9.9
234.13956	5.7
235.14804	23.2
236.15477	2.5
237.12759	2.7
237.16399	14.9
239.14226	6.6
239.20016	3.7
241.12248	6.1
241.15991	3.6
243.13783	6.4
244.15440	38.0
245.15749	39.8
247.14833	8.2
248.15584	9.1
249.16489	13.1
250.17102	3.8
251.14500	5.4
251.17863	5.7
253.12244	4.2
253.15804	2.5
253.19583	10.8
255.13791	9.8
255.17371	3.3
257.15384	5.2
261.16370	5.7
263.14377	6.7
263.17941	47.7
264.18631	5.0
265.15897	7.4
267.13779	8.6
269.15598	5.6
270.19833	6.2
277.15619	2.4
277.19440	10.8
281.15341	20.3
281.18567	22.5
283.16910	8.8
287.17740	3.1
291.16077	2.7
293.15656	3.1
295.20636	11.7
299.19965	3.3
305.18948	16.1
308.17560	2.6
311.20007	6.4
313.21613	4.8
323.20050	81.3
341.21112	100.0
342.22733	5.1
343.23141	24.5
369.20468	7.7
383.21896	4.9
401.23099	4.0
406.20499	3.6
407.21225	7.8
433.30984	3.4
447.83267	2.7
469.33298	4.7
487.23260	2.9
505.24576	4.5
505.35025	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	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55175	0.8
51.57983	0.7
51.84157	0.8
53.03937	2.4
55.01878	2.0
55.05512	3.5
57.03436	2.5
57.07075	1.2
57.64434	0.8
60.04537	1.2
65.40702	0.8
67.05519	6.7
67.10051	0.9
68.05849	0.9
69.03437	5.7
69.07078	4.2
70.06613	1.0
71.05004	1.8
71.08614	0.7
71.55614	0.8
72.08150	0.9
73.02914	1.8
79.05498	3.6
81.03424	4.6
81.07059	13.6
83.08623	1.7
84.04518	1.7
84.08156	1.1
85.02915	11.3
86.06064	1.2
87.00858	5.5
91.03920	0.9
91.05486	5.1
93.07056	7.0
95.05016	1.1
95.08614	13.3
96.08148	1.2
97.02892	7.2
97.06565	1.1
98.09689	1.2
99.04453	3.5
99.08103	3.7
105.01875	6.4
105.06384	1.5
105.07035	15.8
107.08601	10.9
108.08115	1.9
109.02874	7.3
109.06532	6.9
109.10159	11.7
113.06007	3.1
116.01672	1.4
119.08585	14.4
121.10129	8.1
122.09682	1.9
123.04430	0.9
123.08039	1.0
123.11745	5.6
125.09564	1.1
127.03928	10.3
130.04944	1.2
131.04950	1.4
131.08566	1.1
133.10136	10.1
135.11748	3.9
137.13310	0.9
142.08647	1.0
145.04947	5.9
145.10136	2.2
147.04518	0.8
147.11699	20.4
147.59131	0.8
149.13257	2.7
151.11177	1.5
152.06964	1.0
157.10056	1.2
159.02849	2.8
159.11694	1.9
161.09637	1.9
161.13269	6.8
162.02240	1.3
163.11209	0.9
163.14799	2.4
171.11565	1.0
175.11217	4.5
175.14842	3.1
177.16388	1.3
185.13217	1.1
193.12192	4.0
194.15404	1.6
203.10785	2.3
203.17972	100.0
205.19568	1.9
221.11732	3.7
221.15195	1.0
221.18997	5.7
231.05066	3.9
240.16013	3.0
249.06084	1.1
258.17053	14.3
259.11142	3.0
284.09845	1.7
298.22421	1.0
316.17352	1.8
347.14786	4.4
365.15915	5.8
383.16656	1.5
486.30975	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	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	7.1
58.70764	0.7
67.05514	1.2
69.03427	5.7
69.07048	0.9
69.22508	5.0
69.22935	2.8
71.04986	1.3
71.08637	6.8
72.08142	1.7
81.03416	1.6
81.07059	3.8
83.04996	5.4
83.08611	1.3
84.08147	1.0
85.02914	5.7
86.06075	15.5
91.05482	1.5
93.07021	1.8
95.04941	1.1
95.08604	2.6
96.08147	5.1
97.02903	3.8
98.09687	7.8
99.04426	1.3
99.08115	7.1
100.11257	1.1
101.06011	5.7
105.07047	2.1
107.08594	2.4
108.08138	1.7
109.02886	2.9
109.10126	0.9
111.04443	8.2
116.10744	28.2
119.08589	1.7
122.09690	1.0
124.07522	1.0
127.03882	2.5
129.05508	4.0
131.08595	0.8
133.10118	0.9
135.11731	0.7
136.11272	0.8
137.09644	0.9
142.08644	7.0
143.10663	2.3
145.05000	1.2
145.10095	0.9
154.08647	1.0
154.15858	2.2
155.07039	1.5
160.12160	0.8
164.10741	2.4
166.15918	2.6
173.08160	1.1
175.32980	0.7
178.15927	0.9
180.13971	0.8
182.15414	3.8
190.12303	3.7
196.17004	5.3
198.14838	1.5
203.17854	0.9
208.13431	4.0
214.18033	100.0
226.14384	21.3
230.73778	0.9
244.15463	70.0
247.82355	0.7
261.13409	2.1
324.21545	1.5
342.22775	19.0
376.23285	11.5
388.19711	2.6
406.20737	13.6
486.27377	0.9
504.27853	7.7
504.34857	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	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01859	1.8
55.05507	2.4
57.03419	2.4
57.07063	0.8
61.02924	0.8
66.40595	0.6
67.05508	4.2
69.03436	5.9
69.07074	4.6
71.04990	1.3
71.34641	0.8
71.65863	0.6
73.02905	1.1
74.63091	0.6
79.05495	3.6
81.03421	4.5
81.07059	10.7
83.04985	1.2
83.08614	2.0
84.04511	1.4
84.77555	0.7
85.02908	11.9
87.00832	7.0
90.47253	0.7
91.05472	4.7
93.07038	6.5
94.06541	0.6
95.04952	1.2
95.08608	15.1
96.08116	0.8
97.02888	7.7
97.10167	0.8
99.04439	2.6
99.08069	2.6
105.01874	7.7
105.07032	17.6
107.08596	10.5
109.02884	7.0
109.06519	3.9
109.10160	13.5
111.49213	0.6
113.05973	1.4
117.07005	1.1
119.08586	16.1
121.10150	8.4
123.11714	6.6
127.03928	10.5
129.01860	1.0
131.08574	1.9
133.09132	0.7
133.10138	13.2
135.11688	3.8
136.02400	0.6
137.05923	0.8
145.04947	4.3
145.10126	1.5
147.11690	23.1
149.09602	0.9
149.13251	3.0
157.10074	1.0
159.02890	1.6
159.11697	1.0
161.09587	1.0
161.13264	6.4
162.02200	1.1
163.14856	3.5
165.12811	0.8
175.11278	3.0
175.14871	3.6
177.16269	1.1
185.13213	0.9
193.12256	1.7
203.17961	100.0
205.19508	2.2
221.11700	2.1
221.18991	4.9
223.22493	0.7
231.05064	3.1
240.15984	1.1
256.07217	1.3
258.17029	6.1
259.11081	2.6
284.09622	0.9
311.56671	0.8
347.14914	2.6
365.16095	3.6
486.30905	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	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	7.1
58.70764	0.7
67.05514	1.2
69.03427	5.7
69.07048	0.9
69.22508	5.0
69.22935	2.8
71.04986	1.3
71.08637	6.8
72.08142	1.7
81.03416	1.6
81.07059	3.8
83.04996	5.4
83.08611	1.3
84.08147	1.0
85.02914	5.7
86.06075	15.5
91.05482	1.5
93.07021	1.8
95.04941	1.1
95.08604	2.6
96.08147	5.1
97.02903	3.8
98.09687	7.8
99.04426	1.3
99.08115	7.1
100.11257	1.1
101.06011	5.7
105.07047	2.1
107.08594	2.4
108.08138	1.7
109.02886	2.9
109.10126	0.9
111.04443	8.2
116.10744	28.2
119.08589	1.7
122.09690	1.0
124.07522	1.0
127.03882	2.5
129.05508	4.0
131.08595	0.8
133.10118	0.9
135.11731	0.7
136.11272	0.8
137.09644	0.9
142.08644	7.0
143.10663	2.3
145.05000	1.2
145.10095	0.9
154.08647	1.0
154.15858	2.2
155.07039	1.5
160.12160	0.8
164.10741	2.4
166.15918	2.6
173.08160	1.1
175.32980	0.7
178.15927	0.9
180.13971	0.8
182.15414	3.8
190.12303	3.7
196.17004	5.3
198.14838	1.5
203.17854	0.9
208.13431	4.0
214.18033	100.0
226.14384	21.3
230.73778	0.9
244.15463	70.0
247.82355	0.7
261.13409	2.1
324.21545	1.5
342.22775	19.0
376.23285	11.5
388.19711	2.6
406.20737	13.6
486.27377	0.9
504.27853	7.7
504.34857	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	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18202	0.8
55.01875	0.9
55.05511	5.0
57.07081	1.0
59.04996	1.0
61.02907	0.8
62.06091	1.9
62.37418	0.7
67.05497	2.8
69.03439	4.7
69.07072	1.4
70.06584	1.5
71.05000	2.0
71.08637	5.4
71.55988	0.9
72.08168	1.8
73.02946	0.8
79.05502	2.8
79.43577	0.7
81.03419	2.7
81.07063	7.1
83.04996	4.5
83.08621	1.3
85.02911	5.1
86.05575	1.4
86.06075	16.6
87.00809	1.0
91.05471	2.8
93.07059	3.2
94.07416	1.0
95.04974	1.5
95.08595	4.4
96.08135	3.6
96.08997	0.8
97.02905	3.2
98.09697	8.8
99.04462	1.7
99.08085	5.0
101.06030	3.3
103.05500	1.0
105.01850	1.5
105.07050	5.4
106.07373	1.0
107.08604	3.5
109.02877	2.0
109.06521	1.8
109.10168	3.7
111.04446	6.2
116.10729	23.6
117.07021	1.2
119.08575	8.4
120.08888	1.1
121.06510	1.2
121.10149	2.9
123.08073	0.9
123.11684	1.4
124.07626	1.2
124.51182	1.0
125.09650	1.3
126.10028	1.2
127.03938	3.1
129.05507	1.5
129.06981	1.1
131.08582	2.0
133.10118	5.4
134.10483	1.5
135.11703	1.2
137.05984	1.3
137.09663	1.4
142.08644	7.8
142.12314	2.5
143.08702	1.2
143.10678	6.1
145.04881	1.3
145.10124	1.7
146.10542	1.3
147.07977	1.3
147.11694	2.8
155.07066	2.3
157.10117	1.0
159.11696	1.6
160.11932	0.8
161.09694	1.2
164.10703	4.2
165.09114	1.5
165.12755	1.0
167.14313	2.1
168.14713	1.7
170.25096	0.9
173.08110	1.3
177.05501	1.3
182.15462	4.5
184.13499	0.9
190.12300	3.5
193.12248	10.8
198.14937	1.9
202.16750	1.1
203.17967	2.9
208.13400	5.0
214.18008	8.0
220.17772	2.0
221.08179	1.8
221.11710	8.8
221.15314	1.2
226.14395	31.3
239.12827	2.3
244.15456	100.0
245.15524	0.8
261.13361	1.4
310.18539	0.8
324.21747	2.6
342.22769	35.0
388.19540	1.2
406.20795	10.7
500.76501	1.0
504.25330	6.7
504.32697	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	503.3735
Annotation	Methyl tormentate
Peak:m/z	Relative Intensity
53.03946	10.4
55.01870	4.4
55.05516	51.3
57.07069	15.7
59.04145	4.0
63.97159	3.9
65.03948	4.7
67.05507	70.0
69.03423	6.2
69.07069	43.3
69.46869	12.8
69.47295	15.8
71.08627	12.3
76.64151	4.2
79.05502	33.4
81.03419	70.2
81.07062	55.1
83.04974	10.1
83.08613	43.5
85.06504	6.0
89.06024	7.3
91.05476	46.3
93.07041	41.7
95.04953	16.8
95.08611	45.8
97.06518	9.8
97.10165	21.2
99.08086	7.1
105.07031	56.5
107.04945	10.0
107.08596	41.6
107.74680	4.0
108.41782	3.7
109.10160	52.9
111.08106	7.6
111.11678	7.3
113.09650	6.3
117.07023	9.9
118.39167	3.9
119.08586	85.3
121.06507	7.7
121.10146	46.8
123.08062	6.4
123.11707	10.0
125.09599	5.6
129.06979	14.6
131.08572	37.7
133.06528	6.1
133.08630	4.7
133.10124	82.3
135.07951	5.8
135.11685	18.0
137.09531	4.6
141.06908	4.5
143.08568	8.3
145.10117	38.6
147.11711	30.6
149.09586	10.0
149.13298	7.9
151.11179	5.2
155.08592	5.8
157.10144	19.3
159.11693	28.8
161.09607	4.5
161.13274	17.6
163.11240	9.5
163.14795	9.9
165.12743	4.6
166.84401	4.7
171.11722	10.4
173.11966	4.4
173.13347	14.4
175.11211	11.5
175.14833	10.0
177.12689	5.5
179.14279	13.2
183.11789	5.5
185.13287	7.8
187.14799	26.0
189.16382	12.1
193.12276	29.1
199.14818	5.4
201.16370	14.8
203.14337	6.4
205.15939	23.1
207.17505	8.0
213.16322	7.1
215.18022	5.4
219.17464	35.8
227.17929	4.1
229.14302	4.6
231.17412	8.2
245.18925	6.8
247.17049	8.0
249.14844	5.9
259.20190	5.5
275.20239	23.5
313.25201	5.3
339.26831	4.9
399.28244	7.7
407.33154	25.7
425.34003	58.5
435.32587	13.0
443.34860	6.0
453.33603	38.5
471.33975	11.5
485.36392	70.8
503.25455	7.0
503.37872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	24.0
56.28344	4.8
58.02005	4.0
63.79059	4.6
67.05211	4.7
67.05509	42.4
69.07071	23.3
69.32098	9.4
69.32500	25.2
71.04991	14.7
79.05502	35.1
81.07063	70.2
83.04976	18.3
83.05536	3.4
83.08629	11.4
91.05469	25.5
93.07056	63.9
95.04986	7.6
95.08613	92.4
97.06504	6.7
97.10178	8.1
98.20780	7.0
103.90891	4.0
105.06394	5.2
105.07041	61.4
107.08607	78.9
109.06538	8.0
109.10172	63.1
111.08067	15.1
113.09665	27.2
117.07026	13.6
119.08587	72.3
121.10143	57.6
123.08060	6.1
123.11689	18.6
125.09620	7.1
128.06215	4.1
129.06992	9.9
131.08583	42.6
133.10144	62.5
135.11711	24.0
137.09619	6.3
139.11055	4.8
141.07005	6.9
141.12718	6.8
143.08568	33.2
145.10135	65.6
147.08032	8.7
147.11708	42.9
149.09621	5.2
149.13260	29.6
155.08549	11.9
156.09363	11.0
157.10152	43.7
159.08069	8.6
159.11694	62.7
161.09641	7.8
161.13297	36.7
163.11252	7.0
163.14828	12.8
169.10129	18.4
170.10918	5.5
171.11705	44.0
173.13252	33.1
174.53362	4.1
175.11171	5.0
175.14827	16.7
177.12775	5.1
177.16364	14.2
179.14253	5.5
183.11700	26.9
185.13277	53.9
187.11288	5.0
187.14815	39.9
189.16373	28.5
191.14281	4.8
191.17934	8.1
193.10263	5.0
193.15909	5.8
195.11710	11.5
197.13271	23.5
199.14845	27.3
201.16403	25.7
203.14334	6.3
203.17964	13.4
205.15910	6.9
207.17377	12.2
209.13303	8.6
211.14894	20.4
213.16429	21.9
215.17947	13.6
217.15837	7.6
217.19609	10.2
219.17422	13.8
221.13342	4.7
223.14868	4.3
225.16367	12.7
227.17953	29.4
231.17383	10.3
237.16406	9.0
239.17979	11.7
241.19513	6.4
245.15332	7.6
245.19043	39.0
251.17885	6.0
253.19493	9.3
255.21048	14.3
257.18954	7.7
267.21051	5.4
271.20633	5.6
275.20071	6.3
279.37097	4.4
281.22681	5.9
293.22614	6.5
295.24252	8.8
311.23700	14.7
313.25290	9.8
321.25772	8.5
337.25244	9.8
339.26700	8.8
367.29990	11.5
377.31854	6.1
379.33490	8.6
389.31860	5.0
395.33221	34.8
407.33145	100.0
417.31619	7.0
423.32745	5.2
425.34213	70.9
435.32562	16.7
443.35257	6.6
445.23099	4.2
453.33685	28.5
461.43625	4.2
462.43762	3.8
467.35025	6.5
471.34857	53.7
485.32153	4.9
503.33298	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	503.3736
Annotation	Methyl tormentate
Peak:m/z	Relative Intensity
52.45421	1.6
52.99564	1.3
53.03938	2.5
55.01870	1.9
55.05513	21.7
57.07071	5.3
58.32266	1.2
59.05006	6.6
63.46932	1.4
65.03929	1.4
67.05507	18.6
69.07072	23.3
69.28249	13.1
71.04995	3.7
71.08629	3.9
73.06557	1.6
79.05115	1.7
79.05500	17.7
81.03053	1.5
81.03429	16.2
81.07058	33.7
83.04980	2.0
83.08622	16.9
85.06544	3.8
88.71524	1.5
91.05478	15.2
93.07050	33.1
95.04955	5.6
95.08613	48.0
97.06528	3.4
97.10196	9.0
97.17936	1.4
105.07038	33.7
107.08599	38.2
109.10161	34.1
111.08082	8.7
111.11712	6.5
113.09647	2.3
117.07010	6.7
118.16749	1.3
119.07238	1.7
119.07803	2.2
119.08590	40.1
121.09319	2.5
121.10156	30.5
123.08100	1.8
123.11713	18.0
125.09631	2.1
127.11246	2.4
128.06219	1.5
129.07019	7.2
131.08563	21.9
133.10139	28.3
135.08083	1.7
135.11693	24.8
137.09686	1.9
137.13263	6.6
139.07532	4.7
139.11246	1.5
141.06863	1.4
142.07793	2.6
143.08575	15.3
144.09349	3.4
145.10133	27.9
147.11690	27.4
149.13275	10.9
151.11218	1.8
155.08574	3.0
156.09369	1.5
157.10138	19.9
158.10883	2.7
159.10442	2.7
159.11707	40.6
159.13022	2.2
161.13261	29.0
163.11235	2.1
163.14810	8.3
165.06525	1.5
165.12674	1.9
169.10207	8.0
171.11705	18.7
173.13255	30.7
175.11182	2.2
175.14851	14.3
177.12726	3.8
177.16365	2.7
179.14323	2.5
181.10172	2.9
183.11729	9.3
185.13292	20.8
186.14032	5.4
187.14836	42.5
189.16376	7.9
191.14307	3.0
191.17952	2.4
193.12244	8.8
193.15950	3.1
195.11705	3.5
197.13240	10.1
199.14856	19.2
201.16399	20.1
203.17978	5.6
205.15941	1.9
209.04787	1.4
209.13284	3.3
211.14885	10.8
212.15524	2.7
213.16411	20.3
214.17159	3.9
215.17981	12.7
217.15990	2.1
223.14709	4.0
225.16376	9.5
227.17949	15.0
229.19519	43.7
231.17436	1.8
231.20975	2.2
233.18898	1.4
237.16219	2.9
239.17986	10.6
241.19548	14.9
243.17351	2.2
243.21011	2.1
245.19063	2.5
247.20621	4.6
251.17876	5.0
253.19502	5.5
255.21124	11.3
257.19006	3.8
265.19492	4.4
267.21066	6.6
269.19113	2.4
269.22629	4.2
271.20566	2.1
273.22238	1.5
279.20996	2.7
281.22617	4.4
283.20584	3.3
293.22665	2.1
295.24255	18.7
297.22372	3.4
297.25711	9.7
309.25754	12.8
311.23660	4.1
313.25278	12.1
315.26688	3.0
323.27451	3.5
325.25330	2.0
327.26923	3.0
329.24515	2.2
335.27225	10.9
337.25272	1.8
349.28812	1.9
353.28412	56.6
365.32092	14.4
367.29971	5.7
368.66614	1.7
369.28195	1.7
371.29453	7.1
381.27914	17.9
383.33191	3.2
389.31833	2.2
395.29486	2.0
399.28955	100.0
400.29501	1.8
407.33087	8.8
413.30380	4.8
417.31799	1.4
425.34210	24.5
431.31702	7.3
435.32571	6.1
443.35214	3.1
453.33530	15.1
471.34747	77.5
485.36337	19.4
503.30640	2.7
503.37415	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	21.3
59.04992	11.0
67.05516	33.1
69.07071	26.6
71.04990	11.2
79.05505	26.6
81.07065	63.1
83.08604	13.8
85.06541	8.1
91.05477	22.1
93.06534	6.7
93.07060	56.6
95.08611	100.0
97.06529	5.6
97.10133	5.2
99.08099	9.1
105.07029	47.9
107.08594	72.6
109.10152	63.5
111.08109	5.8
113.09630	16.9
117.06991	13.9
119.08579	72.1
121.10147	64.3
123.11719	25.9
125.09629	5.9
127.11138	6.0
129.06975	14.9
129.11687	4.1
131.08582	40.6
133.02850	5.6
133.10121	58.0
135.11696	39.0
137.13263	10.3
139.07529	11.4
141.12761	10.6
142.26346	4.2
143.08559	29.6
144.09320	5.9
145.10123	60.5
147.11694	47.7
149.13284	26.9
154.34731	3.9
155.08522	8.4
157.10153	40.3
158.10942	5.5
159.11702	69.2
161.13251	50.2
163.11180	4.6
163.14793	17.8
169.10130	15.0
171.11690	33.7
173.13258	53.4
175.14821	30.9
175.20764	4.8
177.12682	9.4
177.16325	5.1
179.14307	9.0
183.11673	19.9
185.13260	43.3
187.14851	56.0
189.16365	11.2
191.14285	7.2
193.15880	6.9
195.11652	9.8
197.13249	23.7
199.14839	35.2
201.16431	30.8
203.14343	6.2
203.17950	7.1
209.13264	12.3
211.14717	24.3
213.14661	4.8
213.16426	29.8
215.17918	20.7
217.15948	4.9
217.19473	5.0
219.17360	5.1
223.14720	8.9
225.16386	15.2
227.17928	36.7
229.19534	56.0
229.45586	5.3
237.16383	5.5
239.17926	19.5
241.19437	19.7
245.19130	26.0
247.20570	9.6
248.15829	5.3
251.17943	11.6
253.19464	16.9
255.21121	10.8
257.19012	6.8
267.21014	16.9
269.22614	9.8
271.20593	6.0
281.22675	12.2
285.22000	11.2
287.23685	5.8
293.22601	18.6
295.24100	13.6
297.25717	8.4
309.25574	11.3
311.23727	18.3
313.25177	16.8
326.24908	4.9
327.26917	6.2
335.27292	15.1
337.25327	9.5
353.28329	48.0
364.90445	5.4
365.32001	9.4
367.29840	16.1
371.29422	10.1
389.31866	6.5
395.33203	31.5
399.28928	93.0
407.33051	88.1
425.34265	68.0
431.31229	5.6
435.32803	9.6
443.35150	8.5
449.33862	5.3
453.33328	18.1
471.34787	98.0
485.36420	24.6
503.36777	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	503.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.1
55.01870	6.0
55.05512	26.6
57.03424	4.6
57.07084	7.2
58.02996	3.4
58.97488	3.2
59.04994	13.3
67.05511	30.3
69.03431	21.1
69.07073	24.9
69.32056	27.1
71.04997	21.0
79.05500	35.0
81.03417	10.6
81.07063	86.9
83.04978	10.8
83.08629	16.1
85.02917	25.0
85.06540	9.3
87.00842	8.4
91.05481	41.0
93.07055	56.4
95.04980	12.4
95.08613	69.0
97.02895	10.1
97.06548	15.1
97.10191	8.8
99.04492	3.4
99.08096	11.7
99.37359	2.9
100.07628	3.4
100.11264	17.7
103.05477	3.9
105.01878	5.7
105.07039	100.0
107.04955	5.3
107.08611	64.9
109.02865	7.5
109.06513	16.7
109.10159	40.0
111.04449	4.3
111.08083	11.4
114.09189	4.3
115.05453	6.6
117.07015	13.6
119.08595	69.9
121.06506	9.5
121.10144	51.2
123.08083	12.2
123.11708	13.3
125.05969	3.6
125.09641	36.3
127.03911	12.0
127.07575	5.6
127.11180	3.3
128.06201	6.7
129.07018	8.5
131.08571	38.1
133.06479	4.5
133.10141	98.8
135.08107	10.5
135.11719	20.9
137.05975	13.7
137.09605	9.3
137.13252	3.6
142.07761	8.3
142.08714	5.3
143.08563	31.0
143.10699	31.9
144.09396	7.2
145.04979	6.4
145.06465	4.7
145.10133	66.8
147.08040	7.1
147.11714	42.4
149.09618	13.9
149.13277	16.7
151.11183	12.2
155.08601	15.1
156.09322	6.6
157.10133	38.2
159.02936	4.2
159.08064	9.5
159.11711	51.9
161.09645	11.4
161.13266	24.6
163.07550	6.6
163.11226	12.9
163.14838	5.5
165.09111	6.6
165.12737	4.1
167.10660	4.7
167.14268	6.0
169.10130	16.7
169.12321	4.4
170.10947	9.0
171.11682	24.8
173.09663	6.4
173.13261	27.0
175.07526	4.3
175.11195	6.6
175.14845	11.9
177.09138	5.5
177.12785	9.1
177.16255	4.1
179.10661	4.9
181.10182	7.5
181.12236	3.3
182.15398	8.5
183.11682	24.1
185.13271	59.4
187.11267	4.9
187.14874	23.8
189.12695	5.2
189.16325	4.7
191.10707	7.1
191.14351	6.1
193.10239	3.8
193.12221	13.2
194.11064	3.8
195.11688	8.9
197.13274	18.2
199.14845	44.1
201.12782	7.0
201.16388	27.3
203.14365	9.5
205.12263	4.8
205.15865	7.3
207.11653	6.0
209.13315	9.9
210.14905	12.4
211.14932	13.6
213.12898	3.4
213.16426	14.4
215.14333	3.6
215.17931	3.5
217.15944	12.6
219.08018	4.2
219.17494	33.2
221.13210	4.5
223.14810	10.3
225.12860	4.1
225.16473	8.3
227.17989	6.5
229.15871	5.8
235.14905	6.1
237.16437	5.8
237.18536	13.0
239.17928	4.2
243.17569	7.3
245.15396	4.3
253.19392	5.3
265.19586	5.9
291.21017	7.3
293.22623	9.3
305.24908	3.6
309.22128	10.6
311.23575	7.3
323.23788	4.8
337.25366	7.6
339.19547	4.5
349.25351	8.1
355.26334	8.2
367.26364	12.8
377.24747	10.3
385.27219	3.5
395.25742	8.5
403.29916	4.0
413.26859	27.6
421.30920	4.5
425.18954	10.4
427.28671	4.3
431.29449	4.1
443.20828	4.8
449.30200	11.5
455.31702	5.9
467.31604	33.3
485.32843	31.0
503.18231	3.1
503.24570	25.3
503.33286	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	503.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.2
55.01871	5.7
55.05513	13.0
57.03424	3.7
57.07069	5.1
59.04991	3.6
65.03954	3.3
67.05510	24.2
69.03439	10.1
69.07071	13.6
69.19144	5.2
69.19553	13.9
71.05000	9.0
73.14223	1.7
79.05499	23.6
81.03422	7.9
81.07062	36.9
81.23267	1.7
82.59369	1.7
83.04961	5.6
83.08611	5.2
85.02901	9.4
85.06527	4.4
91.01999	1.8
91.05489	31.4
93.07051	44.9
95.04979	12.8
95.08613	100.0
97.02882	2.5
97.06535	7.5
99.04469	2.6
99.08070	2.3
103.05482	4.1
105.06389	3.0
105.07040	42.8
107.04943	3.8
107.07870	2.7
107.08602	49.0
109.02872	4.0
109.06537	12.8
109.10163	23.6
110.21368	1.8
110.67824	1.8
111.08060	7.1
113.05992	1.9
115.05453	5.4
116.10754	4.4
117.07012	13.1
119.08597	40.2
121.06509	10.8
121.10152	29.4
123.08099	9.6
123.11688	6.9
125.09624	8.5
127.03907	4.4
128.06198	7.1
129.07062	10.8
130.05043	2.9
130.07790	2.4
131.04959	3.0
131.08578	32.1
131.44765	2.0
133.06494	6.9
133.10144	27.1
135.08058	21.5
135.11678	10.8
137.05966	5.6
137.09605	5.1
137.13193	1.9
139.03903	6.3
139.07516	2.1
141.06956	3.9
142.07773	10.2
143.08560	29.5
144.09358	2.6
145.06490	11.0
145.10138	38.3
147.08061	15.0
147.11703	19.6
149.09630	11.3
149.13254	10.7
151.07587	2.8
151.11179	2.2
153.09087	4.3
155.08572	11.8
156.09349	7.8
157.10136	30.4
158.10892	2.8
159.08090	13.9
159.11703	26.9
161.09608	10.7
161.13269	11.4
163.07556	6.2
163.11157	6.1
163.14832	3.7
165.06990	2.6
165.09143	7.0
166.07776	2.1
167.08556	2.8
167.10635	3.0
168.09299	3.2
169.10153	10.8
170.10899	4.7
171.08061	4.4
171.11711	17.3
173.06020	3.1
173.09642	8.7
173.13293	16.5
175.07594	2.9
175.11179	4.6
175.14816	6.7
177.09096	8.6
177.12671	3.2
177.16393	4.0
179.08525	3.8
181.10143	8.4
183.08105	2.0
183.11685	15.3
185.09596	7.2
185.13268	38.1
186.11287	4.0
187.11354	6.8
187.14824	17.4
189.09128	5.6
189.12781	5.1
189.16402	4.7
191.10680	4.1
191.17863	2.4
193.10187	5.2
194.10928	2.3
195.11656	11.1
197.09653	2.9
197.13292	9.3
199.07613	2.9
199.11179	6.7
199.14835	27.1
201.09091	7.4
201.12772	7.3
201.16335	11.3
203.10675	2.9
203.14313	8.9
205.08559	4.8
205.15913	5.9
207.11676	5.3
209.13327	6.9
211.14798	6.5
213.09135	3.1
213.12750	3.6
213.16365	8.8
214.18037	16.5
215.14331	4.3
215.17857	3.9
217.15887	14.8
219.10069	4.6
219.17450	8.1
221.13301	3.4
223.11275	3.5
223.14806	6.8
225.16338	6.0
227.10692	4.5
227.14372	2.5
229.15927	3.1
231.13821	3.8
235.14824	3.8
237.16458	3.6
237.18445	11.5
239.18091	2.6
243.17409	4.9
245.15283	2.7
247.09550	2.3
249.11217	2.7
249.16490	2.4
251.17996	4.0
261.11203	5.3
265.15836	2.7
265.19623	2.7
267.17584	2.7
277.15823	3.0
279.17392	6.4
287.12750	3.6
291.21014	2.5
293.15305	3.3
293.22656	8.4
295.17065	3.2
305.13663	9.9
309.22043	6.3
311.23679	5.6
323.16467	2.3
342.22812	3.0
349.25394	2.6
355.19177	10.1
355.61240	2.0
365.24683	2.9
367.26315	6.4
374.86670	1.9
377.25137	4.4
383.18515	7.0
389.15854	8.8
389.20337	2.0
395.25876	7.1
399.24350	2.2
401.19635	2.0
413.26926	10.9
421.30844	2.7
425.18991	2.6
427.28427	3.4
439.31985	2.9
443.20758	4.9
449.30524	11.0
455.31406	6.8
457.22107	4.7
467.20932	4.1
467.31674	23.8
475.23163	4.6
485.21539	14.9
485.32657	14.1
503.24097	12.5
503.34393	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	503.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10103	0.6
53.03950	1.6
55.01874	1.1
55.05513	7.8
57.03433	1.4
57.07072	1.5
59.05003	0.9
67.05503	8.3
69.03434	12.1
69.07072	4.4
70.99889	1.1
71.04995	3.4
73.02885	1.0
73.06558	1.3
76.91016	0.6
79.05497	8.0
81.03422	1.7
81.07060	16.9
83.04991	3.5
83.08626	2.9
85.02906	3.2
85.06549	1.5
85.37454	0.7
87.00845	0.7
91.05485	10.5
93.07047	15.9
95.04955	4.4
95.08610	15.4
95.09174	1.3
97.02880	0.8
97.06546	4.5
97.10144	0.9
99.08094	1.4
100.11265	3.0
103.05473	0.8
105.07037	17.2
107.04976	1.4
107.08596	15.3
109.02863	1.3
109.06522	5.6
109.10163	9.2
111.04417	1.0
111.08082	6.2
113.05986	0.9
115.05451	0.7
117.07034	4.4
119.08592	18.5
121.06538	4.1
121.10139	9.5
123.08067	7.8
123.11739	2.7
124.89526	0.6
125.05994	1.7
125.09614	2.5
127.03945	1.4
127.07576	1.6
128.06232	1.5
129.07007	2.8
129.09113	0.8
130.07727	0.9
131.08563	12.4
133.06485	2.2
133.10132	14.5
135.08061	12.1
135.11673	5.1
137.05995	2.0
137.09636	3.2
137.13211	0.8
139.07532	1.4
141.06978	0.9
141.09137	1.4
142.07787	1.9
143.08554	7.2
143.10675	1.7
144.09325	1.2
145.06544	1.1
145.10138	12.6
147.08063	3.4
147.11700	7.8
149.09615	4.9
149.13274	3.2
151.07527	1.0
151.11203	1.4
153.09109	0.7
155.08549	4.8
156.09360	2.5
157.10133	10.0
159.08093	2.1
159.11687	12.8
159.26086	0.7
161.09615	6.1
161.13283	4.7
163.07445	0.7
163.11188	3.5
167.08511	1.3
167.14429	1.3
168.09329	1.1
169.10130	5.5
170.10944	1.1
171.11702	7.8
173.09625	3.6
173.13281	6.0
175.07462	0.8
175.11220	4.6
175.14798	1.5
177.12817	2.0
179.08556	1.6
179.10617	0.9
180.09323	0.8
181.04999	2.1
181.10139	2.8
181.12254	0.8
182.10837	1.3
182.15421	2.9
183.11687	5.7
184.12488	0.9
185.09634	1.8
185.13234	6.1
187.11183	3.8
187.14842	3.5
189.12793	2.2
191.14304	1.2
193.10146	2.2
194.10933	0.8
195.11681	3.9
196.12505	1.4
197.09673	1.2
197.13289	5.0
199.11214	2.8
199.14801	5.3
201.12779	5.3
201.16429	2.9
203.14340	2.1
207.11765	1.9
209.13295	4.6
209.16615	0.8
210.14804	2.2
211.11285	0.9
211.14896	3.9
213.12799	2.4
213.16432	2.3
215.14355	4.0
217.10248	0.9
217.15886	4.2
219.11818	1.1
219.13835	1.2
219.17461	2.0
220.12563	0.9
221.13301	2.2
223.14728	3.6
225.12822	1.4
225.16357	2.2
227.14349	1.2
227.17844	1.0
228.16035	0.8
229.15976	1.6
231.11734	1.0
231.13844	1.3
235.14864	1.1
237.12767	1.3
237.16457	2.2
237.18518	1.6
239.14342	1.2
239.17946	1.0
241.12251	0.8
241.15945	1.2
242.24089	0.7
243.17522	1.4
245.13277	1.2
247.14848	1.3
247.17035	1.3
249.16479	2.8
251.14551	1.1
251.18039	2.1
253.15900	1.2
255.17387	1.6
261.16364	1.1
263.17999	1.0
265.19409	1.5
267.17441	2.8
269.18912	1.1
275.18073	0.8
277.19736	0.8
279.17694	0.9
279.20969	1.4
281.19067	0.9
283.67117	0.7
285.18454	0.8
287.20120	0.7
291.17416	1.4
291.20972	0.9
293.19012	1.2
293.22403	0.8
295.20792	0.8
305.24963	0.9
307.20657	1.7
308.21396	0.7
309.22162	2.4
311.20081	1.0
319.20529	0.8
321.22107	1.2
325.21573	2.1
327.23105	1.1
333.21841	0.8
335.23605	1.0
339.19351	0.9
341.27252	0.8
347.23773	1.9
349.25317	1.5
351.23050	1.1
359.23846	1.5
365.24838	2.5
367.26303	1.3
369.24051	1.3
377.24753	3.9
383.25815	1.9
395.25732	5.8
401.26740	5.0
413.26859	11.7
426.31314	0.9
431.29535	1.0
437.30627	0.8
449.30475	2.6
455.31433	1.5
467.31415	3.2
473.32672	1.7
485.32809	5.6
494.36414	0.8
502.87338	0.9
503.25082	5.4
503.33649	100.0
504.34088	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.2
55.01871	5.7
55.05513	13.0
57.03424	3.7
57.07069	5.1
59.04991	3.6
65.03954	3.3
67.05510	24.2
69.03439	10.1
69.07071	13.6
69.19144	5.2
69.19553	13.9
71.05000	9.0
73.14223	1.7
79.05499	23.6
81.03422	7.9
81.07062	36.9
81.23267	1.7
82.59369	1.7
83.04961	5.6
83.08611	5.2
85.02901	9.4
85.06527	4.4
91.01999	1.8
91.05489	31.4
93.07051	44.9
95.04979	12.8
95.08613	100.0
97.02882	2.5
97.06535	7.5
99.04469	2.6
99.08070	2.3
103.05482	4.1
105.06389	3.0
105.07040	42.8
107.04943	3.8
107.07870	2.7
107.08602	49.0
109.02872	4.0
109.06537	12.8
109.10163	23.6
110.21368	1.8
110.67824	1.8
111.08060	7.1
113.05992	1.9
115.05453	5.4
116.10754	4.4
117.07012	13.1
119.08597	40.2
121.06509	10.8
121.10152	29.4
123.08099	9.6
123.11688	6.9
125.09624	8.5
127.03907	4.4
128.06198	7.1
129.07062	10.8
130.05043	2.9
130.07790	2.4
131.04959	3.0
131.08578	32.1
131.44765	2.0
133.06494	6.9
133.10144	27.1
135.08058	21.5
135.11678	10.8
137.05966	5.6
137.09605	5.1
137.13193	1.9
139.03903	6.3
139.07516	2.1
141.06956	3.9
142.07773	10.2
143.08560	29.5
144.09358	2.6
145.06490	11.0
145.10138	38.3
147.08061	15.0
147.11703	19.6
149.09630	11.3
149.13254	10.7
151.07587	2.8
151.11179	2.2
153.09087	4.3
155.08572	11.8
156.09349	7.8
157.10136	30.4
158.10892	2.8
159.08090	13.9
159.11703	26.9
161.09608	10.7
161.13269	11.4
163.07556	6.2
163.11157	6.1
163.14832	3.7
165.06990	2.6
165.09143	7.0
166.07776	2.1
167.08556	2.8
167.10635	3.0
168.09299	3.2
169.10153	10.8
170.10899	4.7
171.08061	4.4
171.11711	17.3
173.06020	3.1
173.09642	8.7
173.13293	16.5
175.07594	2.9
175.11179	4.6
175.14816	6.7
177.09096	8.6
177.12671	3.2
177.16393	4.0
179.08525	3.8
181.10143	8.4
183.08105	2.0
183.11685	15.3
185.09596	7.2
185.13268	38.1
186.11287	4.0
187.11354	6.8
187.14824	17.4
189.09128	5.6
189.12781	5.1
189.16402	4.7
191.10680	4.1
191.17863	2.4
193.10187	5.2
194.10928	2.3
195.11656	11.1
197.09653	2.9
197.13292	9.3
199.07613	2.9
199.11179	6.7
199.14835	27.1
201.09091	7.4
201.12772	7.3
201.16335	11.3
203.10675	2.9
203.14313	8.9
205.08559	4.8
205.15913	5.9
207.11676	5.3
209.13327	6.9
211.14798	6.5
213.09135	3.1
213.12750	3.6
213.16365	8.8
214.18037	16.5
215.14331	4.3
215.17857	3.9
217.15887	14.8
219.10069	4.6
219.17450	8.1
221.13301	3.4
223.11275	3.5
223.14806	6.8
225.16338	6.0
227.10692	4.5
227.14372	2.5
229.15927	3.1
231.13821	3.8
235.14824	3.8
237.16458	3.6
237.18445	11.5
239.18091	2.6
243.17409	4.9
245.15283	2.7
247.09550	2.3
249.11217	2.7
249.16490	2.4
251.17996	4.0
261.11203	5.3
265.15836	2.7
265.19623	2.7
267.17584	2.7
277.15823	3.0
279.17392	6.4
287.12750	3.6
291.21014	2.5
293.15305	3.3
293.22656	8.4
295.17065	3.2
305.13663	9.9
309.22043	6.3
311.23679	5.6
323.16467	2.3
342.22812	3.0
349.25394	2.6
355.19177	10.1
355.61240	2.0
365.24683	2.9
367.26315	6.4
374.86670	1.9
377.25137	4.4
383.18515	7.0
389.15854	8.8
389.20337	2.0
395.25876	7.1
399.24350	2.2
401.19635	2.0
413.26926	10.9
421.30844	2.7
425.18991	2.6
427.28427	3.4
439.31985	2.9
443.20758	4.9
449.30524	11.0
455.31406	6.8
457.22107	4.7
467.20932	4.1
467.31674	23.8
475.23163	4.6
485.21539	14.9
485.32657	14.1
503.24097	12.5
503.34393	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	503.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.9
54.05812	5.8
55.01881	8.9
55.05510	28.2
57.03435	4.9
57.07074	6.3
59.05004	8.6
67.05514	27.9
69.03430	37.7
69.07063	27.9
69.21442	29.4
69.21859	16.3
71.04987	10.7
79.05495	47.7
81.03405	29.9
81.07067	80.4
83.05011	23.2
83.08611	5.8
85.02913	25.9
85.06560	8.7
87.00819	9.7
91.05479	45.5
93.07048	75.9
95.04960	17.8
95.08617	95.1
95.80780	4.9
97.02898	11.2
97.06523	18.5
98.20699	10.4
99.04498	10.5
105.01854	8.5
105.07039	89.2
105.77953	6.1
107.04964	6.7
107.08607	92.1
109.02890	14.8
109.06517	23.8
109.10152	35.3
111.08089	12.8
115.05518	4.9
117.06995	26.8
119.08585	92.0
119.70753	4.8
121.06496	17.1
121.10151	55.4
123.08073	12.9
123.11720	14.0
125.09628	15.9
127.00597	4.5
127.03934	19.8
128.06201	11.6
129.07005	17.9
131.08559	58.2
133.06505	9.7
133.10120	75.9
135.08046	11.2
135.11693	20.1
137.05981	10.6
137.09602	10.9
141.07025	11.2
142.07733	8.4
143.08563	52.5
145.04912	7.4
145.06496	6.5
145.10146	99.4
147.08107	25.4
147.11710	41.8
148.69466	5.1
149.09601	21.2
149.13293	8.8
151.07581	7.7
155.08560	18.9
156.09413	23.7
157.06433	5.6
157.10143	69.3
159.08069	17.2
159.11708	66.9
161.05887	6.4
161.09673	25.6
161.13249	23.8
163.11177	9.6
163.14818	7.5
165.09111	6.9
167.08627	7.1
168.09305	7.1
169.10127	35.7
170.10925	17.1
171.08095	8.5
171.11691	74.8
173.09613	20.0
173.13260	31.9
175.11180	12.5
175.14856	16.8
177.09129	9.0
177.12773	8.7
177.16371	8.5
179.08533	9.7
179.10657	7.3
181.10127	15.0
182.10832	8.4
183.08095	5.2
183.11722	43.4
185.09637	14.9
185.13274	100.0
187.11194	14.1
187.14839	25.7
189.09108	4.8
189.12738	9.4
189.16360	11.9
191.10739	8.8
191.14490	7.2
193.10172	14.8
195.10135	5.2
195.11665	22.5
197.09608	6.8
197.13249	27.0
199.06070	8.4
199.11185	17.6
199.14841	52.9
201.09113	5.7
201.12769	12.0
201.16382	43.1
202.16743	21.9
203.14349	19.7
203.17923	12.3
205.12328	7.0
205.15970	6.9
207.11665	18.1
209.09642	5.8
209.13278	28.7
211.11177	9.0
211.14890	11.4
213.12761	22.2
213.16414	18.5
215.10733	16.1
215.14293	5.7
217.10269	6.8
217.12166	9.9
217.15730	23.1
219.11823	8.2
219.13820	6.0
219.17432	24.4
221.13266	13.9
222.14145	8.3
223.11171	9.9
223.14845	19.4
225.12849	9.9
225.16246	11.6
227.10727	6.4
227.17857	5.9
229.12215	9.2
229.16029	5.4
231.11786	11.0
231.13759	34.9
232.12477	6.1
233.13277	8.9
235.14854	14.2
237.12740	6.1
237.16423	14.4
237.18513	6.7
239.14322	6.1
239.18016	8.9
241.12379	10.8
243.10103	21.4
243.13754	7.9
243.17439	8.5
245.15479	9.0
246.14027	8.4
247.14828	13.3
248.11830	6.1
249.16641	7.8
251.17989	18.4
253.15810	5.8
253.19487	5.2
255.19534	10.3
259.13232	9.9
261.16595	22.9
263.14246	6.5
265.19562	6.7
275.17874	14.1
279.17435	7.9
291.17426	6.4
293.18961	16.8
293.22586	20.6
295.20557	6.7
303.17371	9.3
307.16885	7.0
309.18396	6.2
309.22012	7.8
311.20035	21.0
311.23578	10.8
321.18454	56.9
323.19894	13.5
337.25140	10.0
339.19592	58.0
349.25153	8.3
357.20456	21.7
367.26645	8.4
377.24719	13.5
395.25818	15.9
413.26785	19.0
425.23059	8.6
449.30328	15.2
455.31464	12.5
467.31485	50.4
485.32932	26.1
503.26785	8.7
503.33502	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	503.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.0
55.01868	5.7
55.05516	31.0
57.07074	7.6
59.04993	4.8
65.03938	6.0
67.05505	25.6
69.03430	14.9
69.07050	15.4
71.04970	6.2
79.05501	34.7
80.00806	4.6
81.07075	44.6
83.04978	39.2
83.08633	7.4
85.02903	6.2
85.06532	5.6
91.05489	53.6
93.07050	53.7
95.04982	17.0
95.08624	49.5
97.06539	14.0
103.05480	14.4
105.07037	78.7
107.04977	8.9
107.08598	57.7
109.06557	20.5
109.10155	27.4
111.08070	11.3
117.07027	35.3
119.08587	92.8
121.06531	12.1
121.10156	43.7
123.08068	13.4
125.09663	10.3
128.06201	13.5
129.07056	21.7
131.04959	4.6
131.08575	44.4
131.17387	4.0
133.06506	14.2
133.10150	58.9
135.08098	14.7
135.11708	16.2
137.09615	10.3
141.06998	8.4
142.07759	13.4
143.08582	45.8
144.09334	8.3
145.06451	10.3
145.10138	72.5
147.08070	23.2
147.11697	32.2
149.09627	28.8
149.13275	7.4
149.90369	4.1
153.07068	6.7
155.08572	19.9
156.09381	24.2
157.10143	88.0
158.10858	5.9
159.04350	4.3
159.08061	15.4
159.11705	75.9
161.06030	14.6
161.09669	17.9
161.13284	21.8
163.07527	17.5
163.11195	10.4
165.07004	7.0
167.08545	7.8
169.10106	37.6
170.10938	18.0
171.08110	7.3
171.11710	75.4
173.09627	18.7
173.13289	31.3
175.07591	13.3
175.11200	4.3
175.14876	9.7
177.09138	17.3
179.08594	5.9
180.09398	7.5
181.10187	10.5
182.10931	5.6
183.08078	9.5
183.11737	56.4
184.12444	4.9
185.09642	17.9
185.13272	100.0
186.10268	6.1
187.04024	6.1
187.11176	13.9
187.14801	22.8
189.12791	6.3
191.07011	6.5
191.10667	5.2
193.10141	14.2
193.12177	5.0
194.11053	6.3
195.11732	27.6
197.09575	4.8
197.13292	23.7
199.11229	12.9
199.14851	45.6
201.12727	15.0
201.16428	11.0
203.14299	9.4
205.08508	6.1
205.15860	6.2
206.10992	7.5
207.11720	11.4
209.09770	5.6
209.13266	17.3
210.10493	5.8
211.11128	10.7
211.14850	13.8
213.12805	13.5
213.16417	14.5
215.10594	7.5
217.12297	8.1
217.15874	11.5
218.10780	5.3
219.11697	6.0
219.13799	5.0
220.12367	9.9
221.09662	5.1
221.13280	12.1
223.11249	8.6
223.14793	25.1
225.16422	17.5
227.14401	5.2
227.17825	6.9
229.12271	10.5
229.15842	5.4
230.10989	4.7
231.11780	8.6
231.13876	15.1
231.17552	5.3
233.13243	11.6
233.15323	9.3
235.11259	7.0
235.14880	14.9
237.16324	13.7
239.17929	6.9
241.15919	8.6
243.11829	7.4
243.17465	13.3
245.13307	8.0
245.15459	10.9
246.14001	8.1
249.12506	4.9
249.16678	8.4
251.14136	6.6
251.17966	14.4
253.12286	6.1
255.17566	6.4
258.14096	6.2
259.11124	5.6
261.12750	6.3
261.16284	6.5
261.18610	7.5
265.15994	6.8
265.19482	13.0
273.12708	5.9
275.10690	5.3
275.17813	6.3
287.14426	4.9
291.21008	7.0
293.18912	5.1
293.22556	8.7
301.12222	6.4
301.15753	4.4
303.13989	5.7
305.15308	7.8
307.17188	6.1
309.22098	19.9
311.23724	6.3
319.16895	9.3
323.23618	5.3
327.23267	10.4
328.14618	5.5
329.15381	8.5
331.16891	14.4
333.18515	5.7
337.25269	13.0
339.19485	5.0
343.16605	8.7
347.16409	9.2
349.18042	11.5
349.25302	12.0
353.24817	5.8
355.26248	14.7
361.17847	12.9
365.17288	7.1
367.19174	8.8
367.26376	16.1
371.16550	4.8
373.17831	5.5
375.15512	7.2
375.19687	7.5
379.18918	8.9
385.18073	13.1
389.17419	13.6
391.18900	8.1
395.25775	5.3
403.19171	15.8
407.18372	10.8
409.20602	6.2
409.30917	5.6
413.26904	48.7
421.20053	17.8
421.30954	5.8
435.17990	6.6
437.19507	13.5
437.30106	5.7
439.21280	13.0
439.31873	6.2
441.23065	6.4
449.19443	15.6
449.30542	13.0
467.20923	25.7
467.31491	48.0
485.21988	40.2
485.32684	40.1
503.23157	64.1
503.33276	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	503.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.0
55.01868	5.7
55.05516	31.0
57.07074	7.6
59.04993	4.8
65.03938	6.0
67.05505	25.6
69.03430	14.9
69.07050	15.4
71.04970	6.2
79.05501	34.7
80.00806	4.6
81.07075	44.6
83.04978	39.2
83.08633	7.4
85.02903	6.2
85.06532	5.6
91.05489	53.6
93.07050	53.7
95.04982	17.0
95.08624	49.5
97.06539	14.0
103.05480	14.4
105.07037	78.7
107.04977	8.9
107.08598	57.7
109.06557	20.5
109.10155	27.4
111.08070	11.3
117.07027	35.3
119.08587	92.8
121.06531	12.1
121.10156	43.7
123.08068	13.4
125.09663	10.3
128.06201	13.5
129.07056	21.7
131.04959	4.6
131.08575	44.4
131.17387	4.0
133.06506	14.2
133.10150	58.9
135.08098	14.7
135.11708	16.2
137.09615	10.3
141.06998	8.4
142.07759	13.4
143.08582	45.8
144.09334	8.3
145.06451	10.3
145.10138	72.5
147.08070	23.2
147.11697	32.2
149.09627	28.8
149.13275	7.4
149.90369	4.1
153.07068	6.7
155.08572	19.9
156.09381	24.2
157.10143	88.0
158.10858	5.9
159.04350	4.3
159.08061	15.4
159.11705	75.9
161.06030	14.6
161.09669	17.9
161.13284	21.8
163.07527	17.5
163.11195	10.4
165.07004	7.0
167.08545	7.8
169.10106	37.6
170.10938	18.0
171.08110	7.3
171.11710	75.4
173.09627	18.7
173.13289	31.3
175.07591	13.3
175.11200	4.3
175.14876	9.7
177.09138	17.3
179.08594	5.9
180.09398	7.5
181.10187	10.5
182.10931	5.6
183.08078	9.5
183.11737	56.4
184.12444	4.9
185.09642	17.9
185.13272	100.0
186.10268	6.1
187.04024	6.1
187.11176	13.9
187.14801	22.8
189.12791	6.3
191.07011	6.5
191.10667	5.2
193.10141	14.2
193.12177	5.0
194.11053	6.3
195.11732	27.6
197.09575	4.8
197.13292	23.7
199.11229	12.9
199.14851	45.6
201.12727	15.0
201.16428	11.0
203.14299	9.4
205.08508	6.1
205.15860	6.2
206.10992	7.5
207.11720	11.4
209.09770	5.6
209.13266	17.3
210.10493	5.8
211.11128	10.7
211.14850	13.8
213.12805	13.5
213.16417	14.5
215.10594	7.5
217.12297	8.1
217.15874	11.5
218.10780	5.3
219.11697	6.0
219.13799	5.0
220.12367	9.9
221.09662	5.1
221.13280	12.1
223.11249	8.6
223.14793	25.1
225.16422	17.5
227.14401	5.2
227.17825	6.9
229.12271	10.5
229.15842	5.4
230.10989	4.7
231.11780	8.6
231.13876	15.1
231.17552	5.3
233.13243	11.6
233.15323	9.3
235.11259	7.0
235.14880	14.9
237.16324	13.7
239.17929	6.9
241.15919	8.6
243.11829	7.4
243.17465	13.3
245.13307	8.0
245.15459	10.9
246.14001	8.1
249.12506	4.9
249.16678	8.4
251.14136	6.6
251.17966	14.4
253.12286	6.1
255.17566	6.4
258.14096	6.2
259.11124	5.6
261.12750	6.3
261.16284	6.5
261.18610	7.5
265.15994	6.8
265.19482	13.0
273.12708	5.9
275.10690	5.3
275.17813	6.3
287.14426	4.9
291.21008	7.0
293.18912	5.1
293.22556	8.7
301.12222	6.4
301.15753	4.4
303.13989	5.7
305.15308	7.8
307.17188	6.1
309.22098	19.9
311.23724	6.3
319.16895	9.3
323.23618	5.3
327.23267	10.4
328.14618	5.5
329.15381	8.5
331.16891	14.4
333.18515	5.7
337.25269	13.0
339.19485	5.0
343.16605	8.7
347.16409	9.2
349.18042	11.5
349.25302	12.0
353.24817	5.8
355.26248	14.7
361.17847	12.9
365.17288	7.1
367.19174	8.8
367.26376	16.1
371.16550	4.8
373.17831	5.5
375.15512	7.2
375.19687	7.5
379.18918	8.9
385.18073	13.1
389.17419	13.6
391.18900	8.1
395.25775	5.3
403.19171	15.8
407.18372	10.8
409.20602	6.2
409.30917	5.6
413.26904	48.7
421.20053	17.8
421.30954	5.8
435.17990	6.6
437.19507	13.5
437.30106	5.7
439.21280	13.0
439.31873	6.2
441.23065	6.4
449.19443	15.6
449.30542	13.0
467.20923	25.7
467.31491	48.0
485.21988	40.2
485.32684	40.1
503.23157	64.1
503.33276	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	503.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70989	0.5
55.05505	1.1
57.03429	1.4
61.02921	1.4
61.20317	0.5
67.05495	1.7
69.03440	3.5
69.07050	1.8
70.06581	0.7
70.99667	0.9
71.04993	1.2
79.05492	3.3
81.03408	1.9
81.07060	4.7
83.04986	1.4
85.02907	9.7
85.06545	1.3
88.46618	0.5
91.05465	3.3
92.32122	0.7
93.07037	4.0
94.07383	0.5
95.04977	3.3
95.08630	2.7
97.02908	3.4
97.06519	1.7
99.04441	1.0
101.14109	0.5
105.07043	5.4
107.04974	0.7
107.08603	3.2
109.02843	1.8
109.06536	3.0
109.10162	1.5
111.04433	0.5
111.08070	0.9
115.05505	0.6
116.07058	0.7
117.07022	1.7
119.04926	0.6
119.08598	6.4
121.06496	0.8
121.10151	2.6
123.08085	2.5
125.06004	0.9
127.03954	2.8
128.06227	0.8
129.07016	2.0
131.08577	4.0
133.06499	1.1
133.10130	8.8
135.08066	11.4
135.11740	1.4
137.05983	3.5
137.09612	3.3
141.07028	0.7
142.07823	2.5
143.08569	3.3
144.09340	0.7
145.04962	1.7
145.06474	0.6
145.10126	6.1
147.08052	1.4
147.11705	2.8
149.09625	2.6
149.13231	0.7
151.11189	0.6
153.09108	1.8
155.08551	1.1
156.09344	1.5
157.10141	5.2
159.08054	1.0
159.11726	3.4
161.09607	3.2
161.13281	1.1
163.11201	1.0
165.09106	1.9
167.08530	0.8
169.10130	2.2
170.10921	1.1
171.11693	2.9
173.09619	0.6
173.13370	3.0
175.11186	1.6
175.14784	0.8
177.12889	0.6
179.08569	0.6
182.10918	1.1
183.11667	1.3
184.12463	0.7
185.09581	0.6
185.13268	1.8
187.11134	2.6
187.14888	1.2
189.12767	0.6
192.16283	0.6
194.10973	0.9
195.10190	6.9
197.13287	2.0
199.11243	1.0
199.14877	1.0
201.05498	1.8
201.12764	0.7
201.16365	0.7
203.14340	1.7
205.12267	0.6
209.13283	1.6
215.14331	3.0
219.13889	0.6
219.17479	1.0
221.06172	0.6
227.12083	0.5
227.14308	2.0
233.15356	0.8
237.18362	1.3
245.15425	2.1
255.06525	0.7
255.11359	1.0
263.16501	3.9
281.17490	100.0
282.17581	0.8
299.18530	1.2
323.18573	3.2
341.19598	8.4
349.10587	1.9
443.22800	7.1
503.18704	2.3
503.26456	1.3
515.64740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01873	1.1
55.05509	1.5
57.03434	1.6
61.02925	1.7
67.05502	2.4
69.03426	7.5
69.07079	1.3
69.59328	5.7
69.95757	0.8
70.06602	1.4
71.05010	1.2
73.02943	1.0
79.05504	2.5
81.03418	6.5
81.07066	4.9
83.04962	2.0
83.08598	1.0
85.02910	16.2
85.06551	3.8
87.04469	1.6
91.03919	1.1
91.05484	5.1
93.07053	5.0
95.04987	2.4
95.08597	2.7
97.02901	6.8
97.06525	1.5
98.20798	1.6
99.04461	1.6
105.07044	8.3
107.04987	0.9
107.08598	4.6
109.02927	4.9
109.06539	3.9
109.10154	2.2
111.08083	0.9
113.05988	1.0
115.03961	0.8
115.05491	1.0
117.07020	2.4
119.08595	10.2
121.06493	1.8
121.10162	4.1
123.08076	3.4
125.06015	1.0
127.03920	5.0
129.07004	2.7
130.07744	1.3
131.08566	7.1
133.10150	16.1
135.08066	12.9
137.05954	2.0
137.09619	2.8
141.07016	1.2
142.07782	3.1
143.08575	6.3
144.09314	1.4
145.04944	2.8
145.06490	1.6
145.10123	6.0
147.08076	1.9
147.11700	2.1
149.09637	6.0
151.03964	0.9
151.49832	0.9
153.09113	3.0
155.08617	1.2
156.09369	2.3
157.10153	7.5
158.10918	0.9
159.08066	2.1
159.11726	5.1
161.09657	4.6
163.11208	1.7
165.09125	2.0
167.10686	4.0
169.10109	2.4
170.10921	2.1
171.11667	3.9
172.09714	1.4
173.09871	1.9
173.13220	4.6
175.11253	1.2
175.14873	0.9
179.10683	2.4
182.11082	1.1
183.11649	1.5
184.12511	0.9
185.13266	3.2
187.11188	2.5
187.14810	2.0
189.12801	1.6
191.14349	1.1
195.10139	9.0
195.11617	0.9
197.11623	0.9
197.13300	2.4
199.11089	1.5
199.14870	1.2
201.12700	1.4
203.14281	2.0
205.07091	0.8
205.12222	1.2
209.13242	2.1
215.14351	6.9
219.13811	1.3
220.36612	0.8
225.12735	0.8
227.14297	2.8
233.15355	2.8
245.15320	2.6
263.16452	9.9
269.21603	0.9
281.17490	100.0
282.17859	1.1
299.18570	4.4
323.18433	5.1
341.19510	10.5
380.32126	0.8
394.37170	0.8
407.20911	1.0
422.56140	0.9
443.22797	7.3
503.25061	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	503.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.9
55.01861	17.1
55.05510	27.6
60.18433	5.0
67.05498	20.7
69.03436	87.1
69.05786	4.7
69.07059	19.6
71.05000	12.3
71.56373	5.9
73.02884	9.4
79.05499	48.5
81.03400	16.0
81.07055	53.4
81.35320	5.4
83.04974	21.0
83.08613	10.4
85.02917	32.9
85.06532	6.7
91.05477	54.7
93.07053	74.7
95.04992	34.3
95.08627	53.9
97.02900	14.7
97.06513	27.6
97.10166	5.6
99.08131	6.4
100.11246	8.6
105.01868	7.6
105.03424	7.0
105.07041	88.8
107.04948	10.4
107.08600	63.4
109.02888	14.0
109.06508	24.4
109.10175	28.6
111.04456	13.8
111.08099	14.4
113.02338	20.4
115.05422	9.8
117.07028	36.6
119.04974	7.2
119.08598	77.9
121.06505	23.3
121.10155	31.4
123.04442	10.7
123.08084	17.4
123.11668	8.7
125.06027	11.1
125.09631	10.5
127.03912	16.3
128.06209	20.7
129.07024	36.0
130.07767	6.7
131.08559	67.3
133.06499	13.4
133.10127	51.3
135.08037	16.4
135.11693	14.6
137.05972	23.8
137.09589	14.7
139.03896	13.3
139.07565	6.9
141.05423	8.6
141.06961	9.3
142.07794	16.3
143.08553	57.4
145.06485	11.8
145.10129	70.5
147.04411	6.1
147.08037	17.4
147.11722	26.1
149.06035	11.2
149.09625	15.7
149.13202	5.9
151.07599	12.3
153.05437	6.7
153.06935	12.8
155.08531	42.8
156.09286	13.0
157.06558	6.3
157.10172	73.8
159.08089	30.5
159.11700	56.4
161.05969	10.2
161.09598	16.0
161.13235	24.8
163.07489	9.3
163.11159	10.7
163.14876	6.7
165.05544	8.5
165.06972	16.2
165.09166	7.4
166.07689	13.5
167.07259	8.9
167.08537	26.0
169.06395	6.8
169.10178	67.0
170.10919	6.0
171.08009	20.2
171.11714	35.9
173.09615	23.2
173.13222	15.5
175.07553	17.6
175.11172	16.4
175.14844	7.9
177.09178	9.3
179.07062	7.3
179.08563	23.2
179.10698	5.3
179.14314	5.7
180.09344	10.8
181.08673	13.2
181.10114	47.8
182.10934	10.7
183.06525	19.2
183.08017	8.5
183.11728	51.5
184.12343	5.7
185.09644	29.6
185.13266	32.9
187.07544	13.2
187.11221	13.6
187.14821	9.9
189.09091	10.6
190.07793	6.1
191.06915	6.0
191.08591	8.8
191.10590	10.4
191.14389	8.0
192.09354	17.3
193.10156	32.8
193.11789	5.4
194.10901	15.5
195.08115	9.6
195.11708	55.1
197.09558	20.9
197.13333	27.7
199.07573	13.9
199.11142	20.2
199.14801	18.2
201.09062	10.5
201.12819	7.4
201.16412	13.6
203.08643	10.9
203.10693	5.5
204.09346	11.7
205.08516	7.5
205.10164	20.8
205.12053	7.1
206.11000	13.8
207.10223	5.0
207.11732	45.9
208.12447	14.9
209.09599	17.5
209.13295	42.0
211.07520	9.2
211.11172	20.8
211.14793	25.1
211.16624	6.5
213.09116	10.0
213.12706	14.9
213.16364	7.2
215.10638	21.1
217.10172	23.0
217.12073	8.2
218.10889	12.7
219.11688	23.3
219.13774	13.1
219.17380	17.0
220.12466	19.6
221.09644	7.9
221.13255	39.6
222.14120	7.3
223.11200	21.1
223.14775	27.0
225.12694	15.7
225.16321	13.0
227.10661	13.5
229.12233	8.1
230.10896	8.6
231.11742	21.7
231.13776	7.7
232.12474	12.7
233.13248	24.2
235.11266	13.5
235.14920	30.7
236.15620	6.8
237.12782	13.5
237.16496	14.1
237.18532	10.0
239.10701	11.9
239.14291	12.0
241.12361	12.3
243.13872	11.1
244.12341	7.3
245.13278	21.7
246.10437	6.0
246.14017	10.7
247.14908	29.2
249.12706	15.7
249.16394	19.1
251.10701	9.8
251.14392	9.8
253.12320	13.4
255.13838	14.0
257.13248	10.4
259.14868	9.0
261.12808	7.7
261.16321	20.4
263.14340	16.0
263.18005	12.9
265.12268	20.1
265.15802	12.4
267.13806	15.1
273.16351	15.2
275.14352	12.7
275.17981	8.4
277.15833	8.7
279.13916	11.1
279.17380	11.4
281.15414	16.6
283.13495	7.2
283.16956	10.7
289.15781	11.5
291.13861	12.4
291.17410	13.0
293.15390	13.5
293.18771	10.5
295.17026	8.0
301.15881	7.7
303.13889	8.1
305.15411	9.7
307.16891	20.4
309.18399	19.6
311.12878	8.9
311.16412	7.3
315.17133	6.9
317.15372	8.5
317.18863	12.9
319.16925	11.4
321.18411	8.8
323.16461	10.8
325.17896	21.7
333.18457	9.1
335.16397	12.3
335.20068	9.2
337.17822	15.9
337.65210	6.6
339.19583	7.2
343.19061	8.8
345.18332	6.5
347.19724	9.0
349.17987	7.9
349.25623	6.7
351.15884	12.2
351.19598	14.4
353.17459	33.0
355.19006	14.5
357.18491	15.3
359.20175	6.2
361.18027	15.2
363.19476	12.8
371.18600	60.4
375.19635	22.5
377.17172	7.5
379.19229	26.8
381.20602	34.1
391.19193	9.9
393.20526	19.8
395.18262	8.3
397.20416	29.7
399.21344	7.9
403.18994	24.9
407.18390	20.3
413.19385	13.0
413.26700	15.2
415.21176	17.9
419.17413	7.4
421.20135	65.2
423.21945	11.0
425.19403	15.6
431.18481	21.4
439.21280	43.8
443.20541	15.0
449.19653	44.0
455.20456	8.0
457.22467	35.2
467.20547	73.6
467.31561	17.5
485.21689	100.0
485.32394	10.2
503.22882	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	502.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.4
55.05515	10.4
57.03442	14.7
57.06820	2.5
57.07077	29.0
59.04996	3.6
64.31062	1.5
65.03920	2.1
67.05505	78.2
69.07057	5.3
71.04986	3.0
71.08624	19.6
71.20547	1.6
71.20872	2.3
81.07066	18.0
83.08615	11.1
85.06556	2.7
85.10179	10.4
89.09992	1.5
91.05470	6.5
93.07032	2.4
95.08598	16.5
97.10186	4.0
107.08603	2.0
109.10157	75.6
119.08575	5.6
133.74710	1.4
137.09628	2.6
155.10693	8.6
173.11739	20.3
203.25816	1.4
229.14343	96.8
239.23613	2.5
313.27365	100.0
321.80618	1.5
345.71411	1.4
349.24655	1.6
467.37360	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	503.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48657	0.8
53.03936	2.1
53.41466	0.8
55.01869	1.4
57.03431	2.9
58.43575	1.0
64.10863	0.9
65.20338	0.8
69.03080	1.1
69.03432	15.2
69.79336	1.2
69.79743	3.2
70.06614	1.0
71.01359	1.0
71.04997	4.5
73.02918	1.2
77.03959	1.1
81.03421	16.6
85.02895	8.1
86.09721	1.6
91.05468	1.3
93.07065	0.9
97.02890	3.1
99.04449	6.0
100.07600	3.0
105.06995	1.3
111.04436	1.9
117.05504	1.0
121.06392	0.8
121.10123	2.0
127.03886	2.2
133.07602	1.7
135.09195	1.0
137.05965	1.5
139.03944	1.3
145.04980	1.3
147.04459	1.3
149.09619	10.4
150.09148	0.9
151.03862	1.5
152.07071	0.8
153.05484	1.7
161.07114	5.5
163.08707	4.5
167.10692	2.9
177.10258	0.8
179.08206	1.9
189.06609	5.7
191.08203	7.0
191.14401	1.1
200.60800	0.9
201.78746	0.8
203.03430	1.2
207.07657	100.0
221.09216	1.0
236.65802	0.8
249.08929	1.1
305.11285	1.4
323.08731	1.6
323.12402	24.5
323.18414	1.1
341.13440	91.3
342.13757	1.1
391.13385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01875	1.0
55.05517	1.0
57.03456	0.9
61.02911	1.7
61.51533	0.9
69.03429	3.1
70.08718	3.0
70.09097	2.1
73.02923	1.1
79.05496	1.7
81.03397	2.6
81.07054	3.2
85.02905	7.3
91.05476	4.3
91.41485	0.9
93.07036	3.0
94.04189	3.1
95.05013	1.6
97.02874	2.4
97.06509	1.1
98.20860	1.2
103.05475	1.7
105.07045	6.6
107.04957	1.9
107.08571	1.2
109.02867	1.8
109.06504	2.8
109.10192	0.9
115.05460	3.7
117.07005	1.2
119.04983	1.2
119.08578	2.3
121.06544	1.2
121.10114	1.3
122.03642	6.2
127.03915	2.4
128.06194	1.6
129.07033	1.8
131.04948	1.5
132.05716	1.5
133.06490	4.2
133.10088	1.0
137.05983	100.0
145.04970	1.0
145.06474	1.3
145.10094	1.3
147.04417	1.6
147.08044	2.5
149.06024	1.7
159.08057	2.2
160.05215	1.2
161.05983	14.7
169.10129	0.9
172.09689	1.8
173.09900	1.3
175.07558	27.0
179.07042	1.8
183.48853	1.0
187.07550	8.5
189.09154	1.3
190.07808	2.1
191.08583	6.6
195.54869	1.0
199.07567	7.9
201.05455	2.2
202.07761	3.3
203.08597	3.0
217.08582	1.0
218.07336	1.9
219.08054	9.9
220.08815	1.0
231.08144	4.6
236.08450	1.5
237.08965	1.0
247.07527	4.1
248.08368	2.8
251.10672	13.6
259.07562	3.5
261.09015	1.1
263.10638	2.2
271.65359	0.9
275.07306	0.8
276.07889	2.3
277.08640	1.5
279.10196	10.5
291.10144	10.0
292.10849	1.9
296.10287	1.5
311.12750	28.9
323.09171	1.8
323.12723	11.6
341.13776	1.2
472.50082	1.1
485.17456	1.7
503.20337	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39698	0.2
56.55273	0.3
70.56452	0.3
70.56789	0.6
73.53653	0.2
85.02904	0.8
91.05476	0.9
93.07059	1.3
97.02881	0.4
97.06548	2.1
98.97620	0.3
103.05465	5.5
107.04965	1.8
120.08111	100.0
121.08448	0.5
124.90261	0.3
127.07545	0.4
131.04956	2.7
139.07657	0.3
144.06529	0.5
149.06026	2.3
157.08633	3.7
166.08646	58.2
175.09633	0.7
175.11046	0.3
219.01791	0.4
229.71584	0.3
322.14380	0.3
524.62323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.3
54.75985	5.6
55.01865	9.5
55.05505	23.6
59.21675	6.9
67.05499	30.9
69.03419	16.6
69.07060	18.4
70.51003	6.2
71.04980	20.1
71.55746	6.8
79.05485	39.8
80.76895	5.1
81.03407	8.9
81.07064	59.2
83.04977	17.1
83.08611	8.2
85.02901	8.4
85.06495	5.0
91.05491	43.2
93.07051	64.7
95.04958	21.0
95.08606	75.2
95.65056	5.9
97.06516	18.7
97.10152	5.7
105.03371	6.9
105.07046	71.6
107.04987	4.9
107.08589	75.0
109.06494	11.6
109.10178	34.8
111.08075	19.7
113.09646	27.4
115.05430	8.0
117.07010	30.7
119.08580	84.3
121.06502	12.5
121.10151	48.3
123.08080	25.7
123.11674	18.2
125.09625	12.6
128.06198	11.4
129.06999	24.9
131.04929	7.7
131.08565	55.1
133.06465	14.4
133.10146	58.4
135.08034	19.9
135.11691	17.1
136.83420	5.6
137.09584	21.6
137.13210	8.7
139.07594	7.3
141.06950	10.1
141.12717	16.7
142.07777	17.1
143.08565	53.0
145.06551	8.6
145.10138	66.6
147.08051	34.9
147.11708	32.1
149.09631	14.7
149.13269	13.8
151.14725	6.8
155.08559	26.0
156.09311	21.5
157.10136	68.6
159.08026	21.6
159.11699	100.0
161.09648	28.5
161.13223	32.0
163.11191	17.0
163.14804	6.3
165.06973	6.9
165.09065	8.2
167.08575	7.1
168.09296	7.8
169.10150	47.2
170.10947	9.0
171.08084	8.7
171.11710	70.7
173.09608	37.1
173.13263	33.5
175.07561	7.1
175.11177	21.9
175.14825	10.6
177.09154	6.1
177.23044	5.4
179.08658	8.3
179.14243	14.0
180.09406	7.8
181.10101	20.3
182.10841	7.0
183.11702	58.6
185.09579	17.1
185.13254	64.1
187.11197	14.6
187.14821	22.3
188.13930	6.1
189.09084	6.6
189.12656	7.8
189.16414	8.5
193.10115	9.4
194.10834	8.8
195.11774	27.0
196.12372	6.2
197.09552	9.2
197.13213	36.6
199.11174	24.1
199.14812	24.9
201.09129	8.7
201.12785	14.8
201.16330	18.3
207.11665	19.8
209.09618	10.9
209.13275	26.8
211.14833	26.6
213.12782	26.6
213.16331	18.9
215.14348	18.3
215.17982	8.7
217.10124	5.9
217.12177	8.5
217.15776	6.8
219.17540	9.7
221.13260	15.8
223.11168	8.1
223.14763	23.5
225.12701	7.9
225.16286	28.3
227.14449	12.6
229.15883	7.9
231.17348	9.6
233.13237	9.6
235.14857	10.0
237.12817	5.4
237.16411	13.7
239.17911	7.2
241.15794	10.1
243.11624	7.2
243.17371	31.9
245.13072	7.4
245.15337	8.6
249.16518	9.7
251.14328	7.5
251.17926	17.5
255.17697	10.3
257.13049	7.5
258.14151	6.4
259.42450	5.6
261.12656	8.7
261.18488	23.3
263.14169	5.9
263.18076	9.0
265.19635	9.0
267.17410	8.6
269.18906	10.6
269.23065	6.4
271.14844	7.9
273.16068	5.6
283.14963	5.6
287.14249	6.9
293.18784	5.8
298.95886	5.6
301.16251	5.5
307.20480	9.3
311.23474	8.1
321.25613	6.2
325.21591	39.6
327.23096	11.7
333.18475	8.2
337.25336	13.3
339.26889	17.9
341.19031	15.6
343.16559	8.5
345.18295	8.4
359.20065	9.6
361.17767	6.1
387.19388	8.2
387.30460	6.7
393.31409	34.9
395.21936	6.1
395.32932	8.2
405.20636	18.6
405.31476	45.9
409.19864	16.2
411.32584	92.8
423.21616	19.7
423.32574	94.5
441.22540	9.6
441.33701	39.4
451.31754	14.4
465.22638	18.0
465.28998	8.3
469.22449	8.1
469.33258	59.0
483.23621	21.9
483.30978	21.5
501.24393	55.2
501.32346	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	501.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	24.0
67.05502	35.8
69.07081	20.5
70.60599	18.2
70.60973	14.4
71.53091	9.1
79.05489	33.2
81.07075	49.2
83.08636	16.6
91.05479	31.5
91.83968	9.5
93.07065	81.9
95.08627	61.4
97.06527	22.0
97.10153	11.1
98.21353	10.6
99.08108	15.5
105.07050	54.5
107.08608	54.3
109.06486	16.2
109.10164	22.8
115.05399	9.4
116.24090	10.3
117.07030	19.2
119.08564	52.4
121.10145	38.5
123.08047	13.2
123.11694	18.7
125.72644	8.8
128.06230	11.5
129.07108	10.1
131.08577	40.3
133.10115	37.2
135.11729	10.5
143.08600	24.2
145.10120	47.5
147.11705	25.4
149.13271	16.8
153.09140	9.2
155.08556	25.0
157.10143	44.9
159.11694	49.3
161.13260	15.3
163.14786	11.9
169.10155	62.0
171.11713	36.5
173.09694	11.0
173.13293	51.7
175.11092	10.7
181.10132	15.7
183.11745	49.9
185.13254	44.2
189.16434	9.5
195.11682	24.5
197.13264	28.7
199.14867	26.2
201.16508	14.3
203.14279	9.7
207.11690	10.8
209.13303	33.4
211.14803	35.7
213.16408	27.3
223.14796	26.0
225.16389	35.8
235.14864	12.4
237.16423	13.2
251.18088	21.5
255.17436	10.4
265.19647	21.3
269.18896	11.0
281.22653	30.1
291.21109	34.9
307.20441	11.1
309.22144	79.9
327.17496	12.6
327.23276	100.0
341.19257	9.4
377.24670	13.3
401.21057	20.0
405.31622	27.8
415.30008	16.5
433.31021	60.7
451.31924	47.2
465.33521	25.0
483.34988	20.7
501.25613	14.1
501.35837	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	501.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	16.3
57.07071	5.9
59.04992	7.5
67.05515	18.3
68.07629	3.6
69.07080	16.5
70.71772	8.4
71.04990	3.6
79.05502	10.2
81.07070	30.8
83.08635	13.9
85.06573	5.7
86.26124	3.2
89.11546	3.9
91.05480	11.3
93.07059	29.2
95.08612	48.2
97.06537	5.6
97.10176	7.1
99.08127	4.4
105.07034	28.9
107.08601	38.5
109.10179	30.6
111.08105	10.1
117.07051	3.6
119.08602	44.6
121.10149	41.8
123.08072	11.2
123.11713	11.8
125.09646	18.8
129.06990	5.2
131.07031	4.6
131.08594	22.4
133.10152	43.2
135.11717	19.2
138.98888	3.6
139.07527	8.7
139.11209	10.3
143.08574	11.8
145.10168	28.5
147.11703	33.1
149.09683	7.9
149.13260	14.9
151.11188	4.4
155.08568	6.0
157.10139	20.1
159.11714	35.4
161.09636	4.1
161.13245	28.3
163.11290	5.7
163.14824	6.9
165.12787	6.4
169.10143	7.2
171.11713	22.0
173.13280	20.7
175.14838	13.6
177.12791	8.3
183.11722	12.1
185.13327	16.7
187.14874	20.7
189.12779	4.1
189.16412	15.1
195.11638	5.1
197.13216	11.6
199.14859	18.0
201.16345	19.9
202.10609	4.1
203.14316	9.4
205.15820	5.7
209.13316	6.3
211.14821	10.3
213.16409	15.4
215.14362	5.0
217.19597	4.2
219.17418	6.5
223.14908	8.6
225.16353	10.9
227.17982	16.0
229.19403	4.5
231.17506	4.1
239.17986	8.6
245.18941	31.0
251.18063	6.1
253.19640	7.9
257.19055	7.2
265.19537	8.3
271.20682	5.6
283.20416	4.9
285.22061	6.6
295.24036	5.0
297.22061	6.4
309.22128	7.4
311.23700	24.8
313.25232	11.2
325.25247	10.6
346.50308	4.5
351.26843	33.5
353.28391	12.0
369.27872	17.5
381.31458	4.4
397.27399	100.0
405.31464	8.2
411.28897	7.0
423.32651	8.0
429.29947	7.3
441.33511	8.7
451.32260	15.2
462.93872	3.7
469.33240	63.6
483.34839	20.2
501.35812	15.7
517.30316	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	501.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	14.9
61.90557	4.2
62.07165	4.1
67.05505	25.9
69.03441	4.3
69.07072	15.7
70.71143	6.5
70.71478	9.8
71.04996	10.4
79.05493	25.7
81.07056	45.7
83.08622	9.6
85.06520	4.5
91.05478	17.8
93.07050	45.1
95.08620	81.6
97.06551	11.0
97.10151	6.0
99.08096	15.0
105.07045	44.1
107.08594	63.0
109.10163	36.2
111.08076	20.3
113.09636	25.6
117.07037	7.3
119.08588	62.9
121.06488	10.9
121.10149	40.5
123.08059	17.8
123.11682	15.5
125.09641	15.1
129.07004	6.0
131.08585	33.1
133.10126	54.2
135.08083	7.3
135.11734	25.1
137.09627	12.5
141.12744	14.0
142.07745	9.6
143.08586	28.9
145.10136	50.9
147.11699	38.8
149.09641	11.7
149.13274	10.2
155.08556	12.7
156.09396	8.8
157.10136	44.8
159.11696	67.9
161.09607	13.2
161.13240	32.7
163.14813	5.8
168.09389	6.2
169.10205	29.6
171.11673	31.7
173.13274	28.9
175.11214	10.7
175.14822	16.0
181.10158	15.7
183.11719	44.3
185.13251	47.3
187.14804	17.1
189.16402	16.7
193.15894	8.6
195.11731	15.3
197.13240	19.0
199.14793	37.8
201.12863	6.6
201.16391	21.8
203.14380	9.7
203.17920	10.3
205.15860	10.2
209.13261	17.9
211.14816	20.6
213.16389	13.2
215.14227	7.8
215.17944	10.9
217.15860	11.6
219.17343	8.0
223.14877	18.3
225.16312	22.8
227.17995	8.2
229.15913	5.0
231.17419	7.1
237.16486	13.6
239.17873	5.3
241.15903	6.8
241.19559	5.4
243.17554	33.1
249.16373	5.0
251.18007	19.3
255.17465	8.9
261.18521	24.5
265.19522	10.9
269.18958	12.7
281.19073	5.7
281.22525	5.7
285.22269	6.0
291.21066	7.6
293.22888	6.0
299.23386	5.3
309.22198	17.4
311.23703	17.3
319.24225	6.7
321.25714	8.2
323.23636	5.7
327.23163	18.1
337.25244	14.9
339.26834	16.9
393.31476	30.2
405.31506	40.6
411.32584	100.0
421.30939	5.2
423.32590	90.8
433.31006	10.3
441.33432	34.7
451.32162	25.7
465.33804	14.3
469.33093	47.4
483.34225	8.2
501.35822	23.3
527.33038	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	501.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.0
55.05501	6.7
66.94285	1.8
67.05502	8.9
68.21977	1.8
69.03441	2.0
69.07062	3.8
69.27478	16.5
79.05492	7.2
81.03407	3.0
81.07049	6.5
83.04989	4.0
83.08628	2.3
85.06535	3.8
91.05489	29.7
93.07055	87.6
95.04946	10.2
95.08595	5.6
103.05436	2.1
105.04525	2.2
105.07025	6.0
107.04955	3.5
107.08585	6.2
109.10172	2.8
111.08121	2.0
117.07004	5.8
119.08596	9.8
121.06510	100.0
121.10146	4.2
123.11729	2.3
129.07014	4.1
131.08578	7.1
131.52217	1.6
133.10150	4.2
135.08051	3.4
135.11746	2.3
143.08530	3.3
145.10124	6.3
147.08015	3.1
147.11690	2.8
149.05995	3.6
149.09555	2.6
155.08679	1.8
157.10153	3.8
159.08038	2.8
159.11707	8.9
163.11214	3.5
169.10075	2.9
171.11678	2.4
173.09593	2.5
173.13292	2.6
173.79048	1.6
177.12698	3.7
183.11584	2.3
187.11183	5.0
197.09540	1.9
205.10423	3.1
205.12259	39.1
215.95123	1.7
223.13161	2.6
277.21542	5.0
297.12756	2.1
299.14224	2.2
310.05811	1.7
313.16049	1.7
327.17426	7.5
341.18930	3.8
401.21060	10.7
483.34552	1.9
501.26389	12.1
501.32693	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	501.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.05520	10.4
57.07057	2.1
62.10744	1.4
67.05515	16.5
69.07074	6.8
71.05004	7.0
73.06550	3.1
79.05493	16.9
81.07063	39.7
83.04974	3.6
83.08621	3.8
85.06593	1.9
87.08134	1.4
91.05486	23.5
93.07055	40.8
95.04955	1.6
95.08615	53.7
95.67647	1.4
97.06511	3.7
97.10196	1.6
98.20712	2.9
99.08101	1.5
103.05450	2.0
105.04497	1.9
105.07038	46.7
107.08604	49.7
109.06535	5.1
109.10172	29.4
111.08089	21.1
113.09620	1.7
117.06995	7.3
119.08588	44.5
121.10154	38.8
121.11028	2.1
123.08062	3.1
123.11742	7.8
125.09646	2.5
128.06258	2.1
129.07036	5.1
130.07825	4.0
131.08571	26.4
133.06476	1.8
133.10139	38.2
133.22240	1.6
135.08069	3.6
135.11693	17.6
137.09610	3.2
137.13266	1.9
139.07578	6.1
139.11229	3.1
141.06973	1.9
142.07808	2.5
143.08574	13.6
144.09383	1.6
145.06563	1.4
145.10138	45.8
147.08061	4.8
147.11719	29.8
149.09641	4.0
149.13275	38.9
151.11214	6.5
155.08588	4.1
156.09348	2.9
157.10149	15.9
158.10815	1.7
159.08112	2.4
159.11699	31.3
161.09628	5.3
161.13268	24.1
163.07591	2.6
163.11182	4.1
163.14867	6.4
165.09131	1.6
165.12808	1.7
169.10141	4.5
170.10912	2.3
171.11722	13.4
173.09634	3.0
173.13258	18.3
175.11203	1.9
175.14856	16.9
177.09177	1.8
177.12717	2.1
177.16405	14.4
179.08493	1.9
181.10190	2.3
182.10829	1.8
183.00110	1.4
183.11720	7.5
185.13303	13.8
187.11227	1.9
187.14830	24.1
189.12798	1.7
189.16377	28.7
191.10753	3.0
191.14325	2.7
191.17952	1.6
195.11719	4.5
197.13281	6.8
199.14813	15.6
201.16409	20.4
203.10651	1.9
203.14389	4.7
203.17992	10.1
205.12262	3.9
205.15855	10.7
207.17433	18.1
209.13335	3.3
210.93442	1.9
211.14787	7.1
213.16351	8.6
215.17943	7.2
217.15962	5.6
217.19568	2.1
219.17491	5.7
221.19040	1.6
223.14900	3.9
224.15790	1.5
225.16461	5.3
227.17996	3.9
229.19469	2.0
231.13930	3.3
231.17319	1.7
233.19070	3.7
237.16435	2.3
239.18031	3.5
241.19571	2.3
243.13826	3.3
245.15459	3.0
245.19058	2.4
251.17928	2.3
253.19530	4.2
255.21071	6.8
259.20569	3.5
261.14722	1.9
267.21274	1.8
283.24161	2.6
293.22693	3.7
295.24164	11.2
309.22275	2.2
311.23727	6.0
313.25366	10.3
333.25574	1.7
341.28262	2.9
351.27029	1.9
353.28427	5.4
371.29449	4.3
379.26453	2.8
393.27573	3.4
395.33057	1.7
397.27365	2.8
399.29129	3.1
407.33200	5.2
409.27322	2.1
411.29028	14.5
421.30954	1.8
423.32584	2.4
429.30072	6.0
433.31027	4.5
439.32211	8.0
443.31351	1.8
444.91040	1.5
451.32104	16.9
469.33380	5.7
471.34833	3.8
483.34558	6.8
501.35779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.1
57.07074	2.1
66.53872	1.3
67.05511	17.4
69.03421	6.7
69.07072	9.4
70.06569	1.2
70.79930	1.4
70.80255	2.1
71.05001	2.1
79.05489	3.6
81.03391	1.4
81.07065	18.2
82.90508	1.2
83.04984	11.8
83.08624	5.1
85.02907	1.7
85.06538	3.3
89.91512	1.2
91.05486	5.0
93.07061	7.4
95.04956	2.5
95.08611	27.6
97.06522	2.6
97.10180	1.8
99.08087	1.6
105.07056	6.6
107.08601	18.1
109.06545	8.1
109.10165	86.6
111.08104	4.3
112.23605	1.2
113.09694	1.8
119.08584	22.7
119.09363	2.0
121.10165	12.2
123.08080	15.2
123.11714	7.6
130.05000	2.7
133.10143	16.3
135.11702	67.1
137.09621	17.9
139.11177	2.5
145.10139	1.5
147.11755	1.5
149.13255	4.4
151.11142	8.1
151.14810	8.6
153.12772	2.3
159.11624	2.2
162.79251	1.2
165.16415	4.1
171.11751	1.4
175.13341	1.6
175.14851	30.4
175.16200	1.0
185.09485	1.7
193.15886	74.7
193.87344	1.4
196.90398	1.3
211.16940	100.0
232.79485	1.3
291.12625	31.1
305.72211	1.3
471.69943	1.4
501.21924	2.2
511.75998	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36592	2.4
53.03942	3.0
55.05502	8.5
57.07079	3.7
67.05499	15.4
69.03436	14.7
69.07071	7.4
71.54913	3.8
71.55317	3.4
79.05513	13.9
81.07072	22.1
83.04963	3.1
83.08630	5.6
91.05492	16.7
91.47350	2.9
93.07043	28.4
95.04942	3.7
95.08608	38.7
97.10220	3.0
105.07047	19.7
107.08606	29.3
109.10163	10.0
117.07037	6.5
119.08594	25.1
121.10153	19.3
123.11708	4.8
129.06995	6.2
131.08572	12.2
131.89188	2.9
133.10130	22.7
135.07994	3.7
135.11670	20.0
142.07777	4.1
143.08574	16.8
145.10170	27.1
147.11684	10.3
155.08575	6.1
157.10159	24.4
159.11716	12.7
163.11208	13.6
163.22272	2.6
167.08582	3.7
169.10143	7.7
170.10973	3.3
171.11676	11.1
173.13266	11.3
177.12856	4.0
181.10048	6.7
183.11674	14.7
184.12645	3.1
185.13239	19.2
187.14839	8.7
189.16333	3.5
193.10115	3.7
194.10968	5.0
195.11722	9.5
197.13271	11.0
199.14818	16.8
201.16420	4.5
203.14313	2.7
207.11777	5.4
209.13232	7.3
211.14926	5.7
213.16283	5.0
217.15898	3.1
221.13490	3.6
223.14864	12.1
225.16362	8.1
227.18013	5.7
235.14867	9.1
237.16382	5.4
245.19083	3.4
247.14999	3.4
249.16405	8.3
250.17174	4.5
251.17967	6.7
263.17941	9.1
277.17633	4.9
278.20230	8.6
293.19336	5.5
293.22659	100.0
311.23688	42.1
336.76074	2.8
345.25864	2.9
363.26852	84.3
369.95865	3.0
381.27853	16.5
393.51813	3.1
431.28012	6.6
501.35703	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	501.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.0
55.05512	2.2
67.05508	5.8
69.03433	3.6
69.07075	4.2
71.55581	2.0
74.48158	1.9
79.05495	6.1
81.03438	4.0
81.07063	5.3
83.04951	1.9
91.05487	9.0
93.07037	8.7
95.01341	1.8
95.04979	8.7
95.08575	3.5
97.02899	14.4
97.06527	2.5
105.07045	8.8
107.04961	3.7
107.08612	7.9
108.48832	1.6
109.06530	6.3
109.10123	1.6
115.05437	2.3
117.07021	6.2
119.04944	3.2
119.08570	10.9
121.06489	3.8
121.10171	4.4
123.04438	3.7
128.06262	2.1
129.07033	5.6
131.04932	4.3
131.08575	8.2
133.06514	4.0
133.10132	5.6
135.08078	6.6
137.06006	4.3
137.09651	2.3
141.06999	5.9
142.07669	2.4
143.08588	9.5
145.06516	8.1
145.10110	3.4
147.04385	1.5
147.08047	4.9
147.11699	2.5
153.07013	5.1
154.07780	2.1
155.08585	22.5
156.09369	4.2
157.06511	9.0
157.10138	5.8
159.08070	5.1
159.11678	4.3
161.06013	7.1
161.09631	6.1
163.07570	11.0
165.05479	14.5
165.06982	4.6
166.07829	2.2
167.08580	6.5
168.09390	5.0
169.06570	8.5
169.10138	12.4
170.07236	1.8
171.08098	3.6
171.11720	4.5
173.09615	3.5
173.13327	2.5
179.08530	3.8
179.10750	2.9
180.09370	3.4
181.08656	1.6
181.10124	5.1
182.10869	8.3
183.08070	26.8
183.11703	7.5
184.08836	3.3
185.09680	6.9
185.13283	4.2
187.11194	2.5
192.09308	2.4
195.08070	4.2
195.11699	18.4
196.08830	7.8
197.09651	5.0
197.13277	32.0
199.11212	28.1
201.09120	3.1
201.12825	6.2
207.11690	6.8
209.09615	4.1
209.13300	2.4
210.08757	1.8
210.10385	9.5
211.11212	3.1
213.12779	5.5
215.14275	2.4
221.13350	2.3
223.11189	3.0
225.12759	100.0
227.10739	3.7
227.14285	2.7
231.11938	1.8
235.11385	2.1
241.12236	1.8
243.13821	74.0
245.11775	4.0
245.15468	1.8
261.14844	12.7
273.12790	2.7
285.15015	10.0
299.14423	2.4
301.15674	1.6
303.15887	14.9
321.17050	2.5
353.44235	1.8
359.20270	3.1
369.18793	1.9
387.19681	13.0
405.20694	15.5
411.47754	1.9
423.21707	10.1
447.21472	2.4
465.22580	10.1
476.87885	2.0
483.24066	10.4
501.24850	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	501.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.2
55.01871	16.2
55.05499	10.8
57.03442	4.8
65.03926	4.8
67.05513	16.9
67.23319	3.1
69.03422	16.3
69.07066	6.3
76.50003	3.0
79.05486	20.1
81.03418	20.9
81.07059	16.5
83.04992	11.0
85.02909	13.3
91.05490	44.0
93.07044	26.5
95.04977	47.0
95.08575	16.1
97.02878	5.4
97.06522	8.0
98.20773	6.2
103.05481	6.8
105.04492	4.1
105.07033	47.7
107.04959	10.6
107.08606	28.9
109.06534	17.8
109.10160	5.1
111.04429	3.9
111.08160	4.9
115.05461	11.8
116.06231	4.1
117.07018	20.0
119.08597	50.3
121.06506	20.8
121.10153	8.7
123.04393	3.8
123.08067	11.8
127.03916	4.0
128.06213	21.6
129.07001	25.4
130.07701	4.6
131.08586	29.4
132.05748	3.6
133.06497	16.3
133.10135	25.6
135.08040	14.3
135.11694	5.2
141.06970	8.8
142.07784	23.5
143.08569	39.5
144.05774	3.5
145.06450	16.1
145.10110	44.0
146.07285	3.4
147.08049	61.4
147.11667	7.4
149.09592	18.2
151.07477	4.0
153.06947	6.5
155.08585	22.9
156.09361	31.2
157.06546	4.3
157.10133	43.0
158.07265	3.9
159.08076	46.5
159.11737	26.4
161.05984	5.0
161.09634	45.8
161.13210	6.3
163.07542	9.7
163.11232	17.5
165.07002	12.2
166.07794	11.2
167.08563	10.7
168.09314	4.3
169.10106	18.4
170.10928	6.6
171.08058	21.8
171.11671	48.4
173.06015	7.3
173.09637	77.4
173.13231	7.8
175.07561	13.2
175.11214	12.5
177.09105	10.1
178.07809	5.4
179.08560	11.1
180.09367	6.4
181.06512	4.0
181.10100	27.5
183.08150	8.7
183.11687	26.5
184.08862	8.3
185.09624	22.0
185.13188	17.6
186.10297	3.4
187.07468	5.5
187.11188	15.1
189.09132	12.5
189.12685	7.3
192.09352	7.8
193.10152	19.3
194.07333	3.4
195.08089	6.7
195.11780	16.8
196.08871	5.0
196.12535	3.5
197.09624	11.2
197.13301	9.9
199.11197	38.9
199.14894	3.7
201.09041	18.1
201.12729	11.7
203.10472	3.1
203.14346	7.6
204.09360	4.5
205.10222	3.9
206.10881	8.6
207.11740	14.6
208.08702	5.1
208.12460	7.4
209.09669	8.5
209.13339	8.9
210.10432	3.4
211.11153	21.5
211.14793	3.4
212.11897	5.4
213.09171	6.9
213.12720	14.6
215.08647	5.2
215.10634	7.0
216.09518	3.2
217.10130	8.7
217.12259	11.6
218.10913	7.8
219.08051	4.3
219.11726	7.4
220.12424	7.0
221.09630	5.5
221.13237	7.8
222.10353	3.6
223.11230	23.6
223.14714	4.2
225.12791	7.3
227.10706	7.2
229.10129	11.2
230.10953	5.4
231.11743	8.9
231.13831	6.3
232.12415	6.0
233.09604	6.4
233.13307	7.7
235.11108	7.7
235.14894	8.9
237.09106	4.5
237.12769	15.6
237.16399	8.5
239.08453	4.2
239.10715	7.3
239.14366	8.2
241.12286	6.1
243.11639	12.9
244.12428	11.7
245.09569	5.3
245.13437	5.7
246.10352	4.3
247.11090	10.2
247.14893	10.4
248.11996	7.7
249.12807	8.4
251.14258	8.9
256.12497	6.4
257.13309	14.9
258.14084	8.9
259.11145	8.6
259.13571	2.9
259.14990	3.6
260.11905	8.4
261.12701	16.5
262.13477	4.5
263.14246	13.2
265.12637	4.7
265.15903	9.8
267.11539	4.9
268.12488	7.0
271.11240	6.4
271.14749	5.7
272.12030	3.8
273.12811	11.4
273.16388	24.0
274.13696	5.6
275.14328	21.0
276.14880	5.6
277.15930	5.8
280.72592	3.1
281.13135	4.7
282.10345	5.4
282.13907	3.3
283.11356	6.1
283.14798	9.1
284.11896	4.4
285.12671	9.8
286.13492	9.0
287.14319	7.8
289.12354	4.9
289.15717	7.3
291.17322	5.9
293.15442	8.2
295.11417	4.2
296.11954	7.8
297.12729	15.4
297.16180	6.1
298.13437	4.7
299.14328	7.5
300.15253	5.1
301.15903	14.2
303.13638	6.0
310.13370	4.2
311.14352	19.2
312.15076	12.9
313.12360	6.9
313.15778	6.0
313.19431	4.2
315.17508	16.4
317.15451	4.0
319.16858	5.7
323.14835	5.4
325.15891	12.1
326.16629	11.8
327.13718	6.5
329.15466	4.6
331.16974	6.7
331.20572	10.1
333.18512	43.8
335.16556	4.2
340.18039	7.8
341.19009	69.2
343.16965	53.4
345.18378	6.6
347.16483	3.9
359.20020	46.8
361.17926	13.4
369.18445	27.0
372.51260	3.6
377.21072	30.6
379.18799	5.3
387.19479	43.7
395.22067	3.2
405.20547	57.9
412.80768	4.9
423.21625	54.8
441.22668	9.0
465.22733	74.9
465.29367	4.1
483.23779	73.7
501.24811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32316	1.1
55.01874	2.8
55.05501	1.2
57.39239	1.2
65.75611	1.2
67.05509	4.8
69.03427	4.4
69.07059	3.3
77.89457	1.4
79.05500	6.3
81.03442	2.3
81.07072	3.3
83.04971	2.5
91.05492	9.1
93.07050	7.3
95.01352	2.0
95.04991	7.5
95.08600	2.1
97.02894	13.0
98.21442	3.1
103.05505	1.4
105.07037	9.3
107.04965	3.6
107.08601	4.4
109.06519	4.2
109.10159	2.1
109.66093	1.1
115.05464	2.6
117.07031	7.1
119.04951	2.8
119.08578	6.6
121.06498	1.9
121.10132	2.8
123.04456	3.2
128.06236	3.6
129.06999	6.9
131.04904	3.9
131.08589	13.7
133.06490	4.9
133.10117	4.6
135.08054	4.9
135.11725	1.3
137.06003	3.9
137.09560	1.1
141.07004	4.2
142.07776	2.6
143.08580	11.4
145.06517	10.9
145.10133	7.6
146.07260	1.2
147.08038	6.0
147.11659	1.4
149.09564	2.5
153.06978	4.8
154.07779	2.2
155.08557	26.8
155.09723	2.2
156.09323	3.9
157.06493	12.1
157.10150	7.9
158.07265	1.3
159.08043	6.1
159.11699	4.5
161.05995	7.2
161.09637	5.6
163.07494	9.0
165.05493	16.0
165.07030	5.9
166.07828	2.7
167.08580	7.0
168.05788	1.1
168.09401	4.1
169.06499	6.9
169.10118	10.8
170.07278	1.4
171.04507	1.8
171.08054	3.9
171.11667	8.3
173.05988	1.8
173.09697	4.0
173.13278	3.2
175.07611	1.4
179.07083	2.7
179.08488	2.8
179.10669	2.4
180.09380	2.8
181.06488	2.2
181.10117	5.8
182.10928	8.2
183.08060	28.6
183.11690	6.3
184.08827	2.7
185.09647	5.1
185.13242	3.7
187.11133	1.3
187.14818	1.3
189.05534	1.7
192.09485	3.4
193.10112	1.7
195.08025	7.1
195.11696	18.2
196.08813	8.3
197.09607	6.8
197.13281	30.7
199.11177	27.4
201.09128	2.8
201.12779	6.0
207.11752	4.9
208.08807	1.4
209.09657	3.5
209.13301	2.4
210.10399	10.8
211.11240	2.4
213.12790	5.6
215.14340	3.4
217.12250	1.1
221.09624	1.1
221.13438	1.6
223.11272	2.8
225.12756	100.0
227.10732	4.1
227.14363	2.1
229.10257	1.5
229.44171	1.4
231.13731	1.3
233.09654	2.7
233.15419	1.6
235.11205	2.2
239.10649	1.5
241.12248	1.3
243.13831	65.9
245.11821	3.2
247.11191	1.4
261.12485	2.0
261.14871	14.6
273.12726	2.1
283.11072	1.6
285.15002	9.4
295.11133	1.5
301.15982	3.3
303.16025	11.3
313.15787	1.7
317.15173	1.3
318.85587	1.1
321.17050	2.9
326.85529	1.4
327.17365	1.6
331.16983	1.2
341.18915	1.4
343.16956	2.1
345.18655	2.4
357.18588	2.3
359.20319	2.1
363.26971	1.8
369.18628	4.5
375.19601	3.7
377.21088	1.8
387.19559	17.6
405.20694	21.3
409.20215	3.3
423.21808	11.1
441.22403	1.3
447.21680	5.0
465.22757	11.5
483.23911	15.3
501.24887	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	501.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93303	0.5
53.00889	0.5
53.03932	0.7
53.06380	0.5
55.01865	1.7
55.05505	1.3
67.05508	2.7
69.03410	1.9
69.07073	3.2
69.18758	5.9
75.07807	0.6
79.05493	4.0
81.03414	2.9
81.07073	2.6
91.05476	5.7
93.07052	4.6
95.01321	1.4
95.04979	7.2
95.08603	1.6
97.02896	15.1
98.21510	1.4
100.58905	0.5
103.05483	1.0
105.07037	5.4
107.04948	4.0
107.08598	2.0
109.06534	2.3
109.10175	1.6
115.05453	1.9
117.06999	4.1
119.04929	2.3
119.08601	7.1
121.06458	1.6
121.10181	1.5
123.04458	3.3
123.08085	1.0
126.59454	0.5
128.06206	2.1
129.07007	4.9
131.04932	1.5
131.08560	5.9
133.06505	2.7
133.10129	3.1
135.08090	3.9
135.11668	0.8
137.05980	4.7
137.09604	0.8
141.06966	3.9
142.07802	1.6
143.08562	4.6
145.06500	6.1
145.10104	2.5
147.04402	2.3
147.08060	5.6
149.05972	0.9
149.09622	1.5
151.07561	0.9
153.07001	4.7
153.12686	0.6
154.07764	1.9
155.08568	24.6
156.09343	2.0
157.06450	3.7
157.10130	3.8
159.08110	4.4
159.11673	1.3
161.05986	7.1
161.09593	4.4
163.07550	7.2
165.05481	15.3
165.06996	5.1
165.09128	1.2
166.07819	1.6
167.08557	6.2
168.09378	5.4
169.06508	5.8
169.10123	9.9
170.07243	1.3
171.04422	0.7
171.08005	2.8
171.11751	3.3
173.06062	0.7
173.09628	2.5
173.13272	1.6
176.01511	0.6
178.07719	0.7
179.07074	1.5
179.08595	2.8
179.10602	1.5
180.09383	3.7
181.06499	2.9
181.08647	1.1
181.10117	4.4
182.07224	1.3
182.10912	8.2
183.08066	24.3
183.11646	3.6
184.08827	2.2
185.09612	4.0
185.13243	1.6
187.11214	1.3
189.05537	0.8
192.09355	2.4
193.10179	1.4
195.08098	4.2
195.11716	18.6
196.08842	7.2
196.12495	0.7
197.09616	6.8
197.13278	27.8
199.11188	17.3
199.14868	0.8
201.09117	3.5
201.12750	5.5
205.10068	0.8
207.08086	0.7
207.11697	6.4
208.08981	0.7
209.09634	2.5
209.13309	1.0
210.10429	9.6
211.11197	1.2
213.12790	3.0
215.10698	0.6
215.14252	3.0
221.09651	0.9
221.13254	0.9
223.11191	1.5
225.12752	100.0
226.13197	0.9
227.10608	1.4
227.14297	1.8
233.09692	1.1
235.11201	0.6
241.12352	0.7
241.15875	1.0
243.13824	70.2
244.14299	1.0
245.11725	4.0
254.44109	0.6
259.13470	0.8
261.12299	1.2
261.14905	14.1
281.15448	1.0
285.14899	11.5
299.14246	0.8
301.15845	1.0
303.15933	14.4
311.14169	0.9
321.16922	2.4
331.16507	1.0
341.18961	1.0
343.16895	0.6
357.18304	0.7
359.20328	0.9
363.19727	0.7
369.18546	2.6
375.19745	1.3
387.19614	5.7
405.15930	0.5
405.20612	12.1
423.21652	9.8
447.21725	1.6
465.22736	8.5
483.23801	10.7
501.24326	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	501.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.05510	4.5
57.03436	2.1
65.03931	1.7
67.05489	6.0
69.03423	6.2
69.07056	2.9
69.39496	3.2
69.39902	8.3
71.04990	2.2
79.05483	6.0
81.03432	7.0
81.07067	8.0
83.04971	3.2
85.02895	6.3
87.04459	1.9
91.05480	13.7
93.07059	8.1
95.04953	4.7
95.08608	10.5
97.02885	5.9
97.06553	3.1
98.21689	1.6
99.04473	1.5
103.05463	1.7
104.07439	1.5
105.07054	11.3
107.08578	7.2
109.02890	7.3
109.06490	4.1
109.10146	2.4
115.03940	2.7
115.05415	2.4
117.07034	5.1
119.04950	1.4
119.08611	12.0
121.06510	1.6
121.10146	6.8
123.08090	6.8
127.03918	7.0
128.06177	1.9
129.07011	5.9
130.07782	2.3
131.08542	6.6
133.06529	2.2
133.10132	6.8
135.08078	2.9
137.02353	1.5
137.05966	1.7
137.09596	1.7
139.11140	2.4
141.07001	2.1
142.07765	2.8
143.08568	6.8
145.05005	2.1
145.06468	3.4
145.10123	12.2
147.08057	6.3
147.11649	4.8
149.09598	4.6
155.08539	2.2
157.06432	2.1
157.10153	6.3
159.08058	4.8
159.11682	2.3
161.05989	2.3
161.09607	3.5
161.13292	1.7
163.03946	4.5
163.07516	3.2
163.11069	2.2
165.05560	2.8
165.06924	1.7
167.08595	2.0
169.10152	4.1
170.10931	1.7
171.08098	3.8
171.11653	6.1
173.09619	15.9
173.13277	1.8
175.07504	3.8
175.11194	13.0
177.09174	1.7
179.07066	10.0
179.10690	1.6
183.08051	2.7
183.11707	3.3
185.09593	3.4
185.13348	2.0
186.10321	1.7
187.07460	3.1
191.07040	2.5
191.10678	2.9
193.10156	3.1
193.12338	2.5
195.11777	3.0
196.12387	1.4
197.09647	4.6
197.13258	6.5
198.10425	6.0
199.11142	7.3
199.14865	1.6
200.11989	3.3
201.09161	3.7
203.06926	4.0
203.08621	2.0
205.08543	3.4
206.10934	3.6
207.11710	4.9
209.09593	1.9
209.13243	2.7
210.10396	1.8
211.07747	1.8
211.11185	13.2
212.11781	1.6
213.12752	6.2
215.07031	1.6
215.10635	1.5
217.08528	2.2
217.15871	2.2
221.13268	5.3
223.11133	3.9
224.11948	1.9
225.12714	2.2
229.12312	1.6
230.10873	1.7
231.06551	8.5
233.08092	2.3
235.11238	2.4
235.13304	5.4
235.16959	3.9
237.12743	6.3
239.14363	3.3
241.12248	2.1
243.11790	2.8
244.12465	2.3
253.17998	2.6
255.11818	2.0
256.12457	2.4
257.11615	10.8
259.10999	2.5
261.12701	2.1
269.13416	1.6
270.13971	1.6
271.14691	2.6
273.12708	2.3
289.15894	2.8
299.14185	2.9
301.15701	2.3
315.13858	2.0
317.12003	2.0
317.15359	6.3
321.11453	1.9
321.14954	1.8
327.13675	3.3
331.16983	4.5
333.14941	2.1
335.12796	1.9
335.16522	5.0
341.15598	4.1
345.14883	14.5
349.17911	3.3
359.16351	12.0
361.16699	3.8
363.15875	15.3
369.14746	3.9
377.17398	15.5
379.17551	3.0
387.15964	8.3
405.16953	24.8
423.18021	100.0
424.18787	1.9
441.19189	10.8
483.20056	14.2
483.30930	1.8
501.23846	3.0
501.34012	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	501.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.23144	2.4
55.58031	2.2
61.02927	4.1
66.60821	2.2
69.03407	10.1
70.06586	2.9
71.55193	2.9
73.02921	2.3
81.03410	4.8
81.07085	3.3
85.02906	25.2
87.04456	3.6
89.96493	2.5
93.07042	2.5
97.02893	8.7
97.06570	2.8
99.04449	4.3
100.07618	3.5
108.08135	2.3
109.02836	4.5
109.32686	2.2
122.05982	3.5
124.07577	5.5
127.03941	6.3
136.07570	6.5
137.06018	4.2
144.61557	2.5
145.02792	3.5
145.04956	4.1
145.06386	2.3
146.05949	2.6
146.08386	2.7
147.04413	10.4
149.02304	3.1
163.03880	8.7
164.07010	6.3
172.07599	2.5
173.07112	26.7
174.07919	8.0
177.01846	2.5
177.05481	7.7
187.56165	2.4
189.10205	10.0
192.06552	7.0
196.09882	5.8
202.10963	9.2
203.03407	54.4
203.11920	12.6
206.08408	13.5
211.12334	11.1
215.03311	3.3
221.10686	6.4
223.08672	3.2
224.09436	6.7
225.00642	2.2
227.08273	3.0
229.13431	3.8
230.11761	3.3
231.02878	7.3
233.04521	3.4
238.10991	6.1
239.11792	23.5
241.09575	2.7
244.12112	4.3
255.11470	2.9
257.12830	20.3
259.14780	2.1
261.03946	6.6
262.13159	2.5
267.11279	45.5
275.13818	15.1
279.04938	8.2
279.09708	3.0
285.12357	48.3
290.12646	8.0
291.04907	12.0
303.13385	98.3
307.09485	3.2
321.06326	4.8
321.14438	100.0
339.07098	6.9
339.11661	10.5
339.15424	3.6
339.22668	3.6
501.16006	19.8
501.27600	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	501.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.5
55.01868	4.1
55.05497	9.3
62.72001	2.1
65.03931	3.1
67.05508	11.8
69.03429	11.8
69.07053	9.1
71.55844	3.4
79.05489	14.2
81.03403	8.5
81.06664	1.9
81.07059	16.7
83.04974	6.7
85.02906	6.4
91.05486	25.1
93.07063	23.2
95.04977	11.6
95.08076	1.7
95.08626	14.9
97.02911	3.1
97.06551	4.0
99.04473	3.5
103.05457	6.3
105.06420	2.9
105.07044	32.7
107.04936	2.5
107.08587	16.7
109.02838	6.3
109.06485	8.7
109.10133	5.1
115.05441	8.0
116.06247	3.5
117.07000	16.4
119.04923	3.1
119.07808	3.6
119.08586	42.9
121.06488	9.3
121.10165	12.1
123.04427	5.3
123.08046	12.8
123.11722	2.7
125.09661	3.5
127.03890	4.2
128.06192	9.3
129.07018	14.3
130.07776	3.1
131.08583	26.0
133.06480	12.9
133.10132	23.2
133.86885	2.1
135.08015	8.7
137.02330	4.8
137.05974	5.5
137.09573	5.1
141.07007	5.9
142.07739	7.8
143.08572	16.0
144.09308	3.0
145.06448	9.0
145.10138	14.8
147.08044	20.1
147.11703	5.8
149.05959	8.4
149.09584	7.6
149.13213	8.4
151.07500	3.2
153.06953	6.1
154.07768	3.2
155.08514	9.2
156.09340	8.4
157.06442	4.3
157.10155	21.5
159.08083	19.0
159.11688	12.6
161.05922	3.9
161.09634	16.2
161.13199	4.0
163.07549	4.0
163.11150	2.6
165.06993	6.0
165.09105	3.5
166.07748	3.6
167.08548	5.9
168.09308	3.6
169.10115	12.2
170.07170	3.0
170.10777	3.9
171.08025	10.0
171.11700	17.6
173.05972	3.0
173.09676	16.3
173.13261	6.6
175.07574	6.0
175.11137	6.4
177.09099	9.5
179.07056	5.1
179.08527	6.6
180.09319	3.1
181.10095	8.7
182.10825	3.0
183.08054	4.5
183.11705	12.0
184.08823	3.1
184.12411	2.8
185.09564	8.5
185.13261	5.5
187.07552	5.4
187.11172	7.2
189.05406	2.3
189.09125	4.8
189.12689	3.1
189.16383	3.1
191.06927	2.7
192.09332	3.0
193.10054	10.1
194.10851	6.8
195.11629	6.7
196.12372	2.8
197.09560	5.8
197.13182	4.1
198.10330	2.7
199.07550	8.5
199.11134	12.3
199.14848	3.6
200.11902	5.7
201.09064	6.9
201.12733	4.5
203.06931	4.0
203.08655	4.8
205.08548	7.8
205.10274	3.7
206.10809	3.6
207.11655	9.8
209.09657	5.2
209.13264	6.2
211.11171	8.6
211.14690	2.9
213.09061	3.9
213.12634	7.7
216.09296	5.0
217.08371	3.1
217.10112	6.9
217.12035	3.3
217.15781	8.9
218.10970	3.6
218.16104	2.9
219.09937	3.9
219.11734	6.6
220.12267	2.4
221.13246	6.9
222.13992	3.0
223.11174	7.0
223.14734	5.4
225.12772	5.4
227.10641	7.3
229.12115	4.3
230.10892	5.4
231.11697	5.8
231.13757	4.8
232.12317	4.0
233.09657	3.2
233.13219	5.5
235.11256	2.6
235.14850	4.5
235.16945	10.5
237.12659	6.6
239.14320	2.9
241.12254	4.0
243.11772	6.7
244.12416	5.3
245.08011	8.4
245.11584	5.4
246.14040	3.2
247.11140	5.2
247.14836	3.6
249.12648	4.5
251.14232	3.2
253.17937	5.1
255.11726	2.5
257.13184	7.3
258.10547	2.7
258.13937	6.2
259.11139	6.0
259.14871	5.3
260.11847	3.3
261.12738	4.6
261.16388	2.6
263.10632	3.1
265.15778	2.6
267.11444	3.0
268.12564	4.0
269.13147	2.8
270.14218	3.4
271.14651	4.5
272.12003	2.8
273.12625	5.0
273.16483	3.5
274.13492	4.7
275.14139	2.6
279.13898	2.8
282.13855	3.4
283.11020	3.1
285.16174	3.9
288.15146	2.8
289.15692	2.8
291.13712	4.4
291.17120	2.7
297.15887	2.4
298.13531	4.3
299.14026	3.0
301.12143	6.1
301.15778	5.8
303.13907	3.1
303.17163	3.5
313.15659	4.4
315.13705	2.6
316.14505	3.1
317.15250	6.9
319.13113	2.6
319.16653	3.0
329.11710	2.4
329.15207	8.0
331.16937	11.4
333.14755	4.7
335.12680	6.5
335.16315	4.0
341.15332	5.5
343.16910	5.4
345.14761	5.5
347.12796	2.2
347.16504	16.7
349.17999	13.4
359.16385	36.5
359.20337	2.8
361.17917	3.3
363.15717	5.2
375.15771	5.5
377.17450	41.9
377.21725	4.7
387.15726	18.6
395.18506	3.8
397.22067	4.2
405.16537	20.1
409.19940	6.2
423.17206	18.1
441.19022	7.6
483.19714	4.0
501.21014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04614	0.9
55.01865	1.1
57.03438	1.1
61.02922	1.1
68.83866	0.8
69.03417	2.3
69.70097	1.6
69.70507	3.3
81.03414	1.3
85.02915	9.3
97.02892	2.5
103.05479	1.5
109.02860	1.4
121.02901	1.9
123.04469	2.5
127.03887	2.1
131.04930	2.2
135.04448	1.7
145.02817	1.1
145.05006	1.1
147.04419	14.1
149.02338	4.6
149.06007	0.9
159.04434	2.0
161.05942	1.6
163.03911	8.7
175.03912	2.4
177.01857	6.8
177.05469	3.6
187.03868	3.9
189.05424	1.6
203.03403	100.0
205.04979	5.9
215.03416	7.5
218.45384	0.8
219.02887	1.7
229.04968	2.5
231.02893	12.7
233.04468	5.6
257.04584	1.2
261.03995	9.7
279.05029	22.0
291.05008	21.0
303.13437	1.1
321.06055	5.1
339.07123	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	501.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01864	1.7
56.96561	4.2
57.03434	1.4
61.02913	1.6
69.03427	8.1
70.06578	2.3
71.04991	1.6
71.54784	1.9
71.55167	1.8
73.02910	2.3
77.74212	1.1
79.05512	1.2
81.03406	4.7
85.02908	19.0
87.04469	2.1
94.06572	1.9
97.02886	8.5
97.06578	1.7
98.97601	9.1
99.04461	2.1
105.03394	3.1
105.07026	2.5
105.65150	1.2
108.08162	1.6
109.02869	2.6
111.04453	1.9
116.98631	4.1
119.60926	1.2
120.08138	2.9
123.04438	1.8
125.05987	1.3
127.03906	4.6
133.06497	3.2
134.99635	1.3
136.07559	3.5
137.05992	8.3
138.06342	2.5
144.07904	1.5
145.02882	2.1
145.04980	3.0
146.08389	3.1
147.04398	5.5
147.09158	2.7
148.07578	2.8
161.06024	6.5
163.03929	3.0
173.07199	1.6
174.07890	6.9
175.04034	1.6
175.08664	4.0
177.05440	3.3
181.04852	2.0
182.09700	1.8
184.11186	1.9
189.10214	2.0
193.08607	1.9
194.09587	1.9
196.09924	6.3
197.10722	2.8
203.03441	13.9
204.08894	6.5
206.08334	12.3
211.08597	1.4
211.12306	8.7
213.10367	2.0
215.11824	1.5
217.09729	5.8
218.07790	1.3
219.01810	2.7
219.03889	1.3
220.10013	3.7
221.10822	7.1
223.08685	3.7
224.09471	7.0
227.08278	2.4
230.11740	2.5
237.02814	3.0
237.10251	1.7
238.11008	6.1
239.08147	2.3
239.11829	19.9
241.09711	3.8
243.11462	1.7
246.13780	1.7
252.03104	1.4
254.10609	2.5
257.12839	8.4
267.11307	48.7
269.12598	1.4
271.10684	3.2
272.11563	16.8
273.12451	2.3
275.13956	4.1
276.12497	2.5
279.05063	1.7
285.12350	49.0
290.12656	8.9
291.04944	1.8
303.13397	94.4
305.14786	1.6
321.14462	100.0
337.05893	1.5
339.07080	1.8
339.15564	2.5
349.05942	3.2
367.07068	2.9
368.88849	1.4
372.12030	2.0
391.07062	2.6
483.19821	6.1
501.21173	2.6
503.09933	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.6
57.03434	0.4
57.07068	1.0
58.06602	22.3
60.04527	4.5
60.08177	0.4
67.05494	3.5
69.07074	3.6
69.39696	0.7
69.40105	2.0
72.08147	1.1
79.05497	1.7
81.07059	4.1
83.04963	0.5
83.08607	1.6
84.08140	0.5
91.05479	1.2
93.07047	3.8
95.08612	8.4
97.06553	0.4
97.10174	0.6
98.20746	0.6
99.08099	1.1
100.07610	4.6
105.07028	3.6
105.77044	0.4
107.08593	7.0
109.10158	10.4
111.08045	0.5
111.11690	0.5
119.08587	5.5
121.10152	6.7
123.11706	3.2
125.86391	0.4
126.12779	0.5
129.06956	0.3
130.08673	0.4
131.08569	2.3
133.10130	5.2
135.11705	6.4
137.13297	2.0
143.08623	1.0
144.10272	0.3
145.10124	3.1
147.11694	4.6
149.13272	2.5
151.14844	0.4
153.12695	0.5
156.44901	0.3
157.10146	1.4
158.13541	0.4
159.11690	5.7
161.13266	4.5
163.14835	1.6
171.11691	2.2
173.13239	3.9
175.14842	2.4
177.16364	1.1
185.13293	3.4
187.14848	5.2
189.16377	3.7
191.17903	0.8
197.13322	0.6
199.14790	2.1
201.16374	2.7
203.18007	1.4
211.14713	0.5
212.15747	0.3
213.16338	2.0
214.17128	0.4
215.17947	2.9
217.19548	1.2
225.16504	0.4
227.17918	1.9
229.19489	4.5
236.14891	3.3
239.17696	0.4
241.19472	2.3
243.21094	1.2
247.20728	0.4
253.19479	0.4
255.21120	3.0
256.21979	0.5
257.22653	2.1
267.13760	0.4
267.21066	0.5
269.22644	2.6
271.24237	0.6
282.23495	0.4
283.24255	1.0
287.23846	0.3
323.27380	0.6
325.28860	6.3
331.51971	0.4
343.30017	0.5
349.29044	0.8
350.51337	0.4
367.30026	0.8
405.35074	0.4
414.21445	0.4
423.36047	0.5
441.37329	7.1
482.38901	1.0
500.40982	100.0
501.41403	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79601	0.9
52.97906	1.1
55.05513	22.5
55.59025	0.9
57.03186	1.1
57.03440	13.1
57.07074	8.8
57.11600	0.8
58.15152	0.8
59.05002	5.5
63.34058	0.8
65.03928	1.4
66.06408	0.8
67.05508	82.5
68.44436	0.8
69.06734	1.5
69.07073	23.7
71.04989	2.3
71.08630	6.2
79.05476	3.5
81.07059	13.3
83.08145	1.6
83.08623	23.3
85.06527	2.5
85.10191	2.5
87.04446	0.8
91.05482	4.5
93.07040	4.3
95.08604	9.2
97.06531	2.1
97.10177	13.9
99.08070	1.2
105.07003	1.0
107.08585	3.0
109.10162	75.6
111.08067	3.1
111.11725	4.1
119.08588	7.1
121.10126	2.0
125.09639	1.1
135.11684	1.4
137.09605	3.8
142.10782	0.8
149.13316	0.9
155.10672	7.1
161.13255	0.8
161.86090	0.8
173.11742	22.8
186.56477	0.9
229.14362	100.0
283.73291	0.9
311.25812	71.3
312.26135	1.0
331.28833	0.9
465.35770	66.3
500.22827	1.0
500.34424	1.6
500.46622	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87600	0.2
57.03428	0.2
61.71571	0.2
68.22082	0.2
69.03407	0.3
70.06581	0.2
70.72756	0.4
70.73127	0.4
81.06991	0.2
85.02907	1.2
85.53948	0.2
86.06084	0.2
91.05478	0.5
94.04154	0.9
97.02878	0.4
98.20892	0.2
100.07643	0.4
104.07081	0.2
107.99409	0.2
113.60833	0.2
115.77227	0.2
119.04974	0.2
121.06552	0.3
122.02845	0.4
122.03647	2.8
135.04388	0.3
137.05981	100.0
138.06306	0.4
144.06580	0.3
145.02864	0.3
145.05003	0.2
147.04399	0.7
149.06024	0.9
151.07550	0.5
153.07001	0.7
161.05920	0.2
163.07556	0.3
177.05458	0.8
179.07027	1.6
181.06471	1.6
198.06908	0.2
200.12099	0.2
203.03462	0.2
206.04494	0.4
209.06046	0.2
213.09123	1.2
225.09195	0.2
236.52303	0.2
241.08704	1.0
253.08664	0.6
273.11212	6.5
285.11301	1.9
303.12210	2.2
338.15961	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3423
Annotation	CHEBI:69006
Peak:m/z	Relative Intensity
53.03940	1.5
55.01901	1.4
55.05519	7.4
57.07069	1.3
58.06596	1.3
59.04993	1.6
67.05514	8.7
69.03423	2.8
69.07068	9.5
70.74104	3.2
73.06553	1.6
79.05067	1.0
79.05482	6.7
81.07073	12.0
83.04998	6.2
83.08613	2.3
84.05322	1.3
91.05487	11.2
93.07058	18.7
95.04942	3.5
95.08620	21.3
97.10136	1.6
105.07048	18.4
107.08611	16.8
109.06509	2.8
109.10152	5.7
111.08062	1.4
117.07011	5.7
119.08596	22.6
119.80134	1.4
121.06506	2.8
121.10156	18.4
123.08061	4.4
123.11751	1.2
125.09622	2.9
129.07024	2.8
131.08586	14.8
133.06514	2.7
133.10149	15.0
135.08073	5.3
135.11702	3.2
137.09581	3.2
142.07794	1.5
143.08549	3.6
145.06496	1.5
145.09045	2.0
145.10138	28.9
145.11290	1.9
147.08076	10.1
147.11719	9.7
148.12323	1.0
149.05934	1.3
149.09615	5.8
149.13281	1.8
155.08565	2.7
157.10172	6.8
158.07298	2.0
158.10989	1.0
159.08046	8.7
159.11710	15.3
161.09601	4.1
161.13290	5.2
163.07483	1.3
163.11139	1.3
163.14783	1.3
165.09221	6.1
165.10320	1.1
167.08575	2.2
169.10135	2.4
171.11729	6.2
172.08861	1.6
172.12517	1.5
173.09637	14.8
173.13287	13.0
175.11223	6.1
175.14844	4.3
181.10081	2.1
182.11012	1.1
183.10118	5.7
183.11726	3.4
185.09666	2.6
185.13283	2.5
186.10425	3.0
187.11162	3.6
187.14861	11.5
189.12833	2.4
189.16426	7.7
191.10674	1.8
195.11711	2.2
197.13226	4.3
199.11212	3.1
199.14806	3.6
200.11998	3.2
201.12758	9.6
201.16415	14.5
203.14359	2.6
203.17924	4.5
211.14784	1.6
213.12741	4.9
215.14339	18.9
217.15799	2.0
219.13759	4.5
225.16309	1.1
227.14534	1.4
229.15868	3.2
231.13808	5.5
231.17407	1.7
233.13231	2.0
233.15366	17.3
236.14925	2.8
238.98105	1.2
239.17853	1.3
249.16170	1.6
249.18695	1.8
261.18448	3.4
267.17474	1.9
289.19379	1.6
307.20480	4.8
323.15237	1.2
325.21591	11.1
359.23770	1.8
377.24704	5.1
380.39157	1.1
403.29877	2.2
421.30991	3.3
431.29297	2.0
448.86069	1.3
449.30594	8.2
463.31998	2.1
467.31616	1.7
481.33142	40.8
491.87619	1.2
499.34082	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04921	0.7
52.93741	0.7
53.03946	1.3
54.02228	0.7
55.01872	1.1
55.05511	6.3
57.03440	0.8
60.65735	0.8
66.32301	0.7
67.05514	11.2
69.03427	2.4
69.07082	6.9
69.59946	0.8
71.04993	5.5
71.20458	0.8
73.06551	3.2
78.50277	0.7
79.05491	6.9
81.03439	1.1
81.07062	14.1
83.04980	2.5
83.08630	3.5
84.13997	0.8
85.06555	1.3
87.08096	1.0
91.05483	9.7
93.07055	21.0
95.04963	2.8
95.08050	1.4
95.08616	19.9
97.06525	5.8
97.10187	2.1
98.21597	1.7
99.08092	1.3
103.05489	0.9
105.07037	17.8
107.08602	20.5
109.06510	3.3
109.10165	10.9
111.08091	10.8
113.09653	2.4
115.05445	1.0
117.07049	3.3
119.08596	20.4
121.06537	4.4
121.10149	14.0
123.08067	5.2
123.11708	4.2
125.09634	2.8
128.06200	1.1
129.07014	3.1
130.07750	0.9
131.08572	12.4
133.10143	13.0
135.08043	3.5
135.11723	4.3
137.09634	6.4
137.13298	1.2
139.07549	81.7
141.07002	1.9
142.07782	3.5
143.08582	10.7
144.09328	0.9
145.10136	16.1
147.08054	1.7
147.11693	10.6
149.09677	3.6
149.13275	7.1
151.11200	2.3
153.07014	1.2
153.09094	0.9
153.30804	0.7
155.08574	4.7
156.09358	3.1
157.10141	17.0
157.11327	1.5
159.08073	1.3
159.11703	16.2
161.09641	3.3
161.13271	10.5
163.11182	3.0
163.14861	5.0
165.06995	1.3
165.09125	3.0
167.08606	1.9
168.09384	1.7
169.10139	9.0
170.10892	1.7
171.08054	0.8
171.10278	1.1
171.11713	15.5
172.12364	0.8
173.09653	2.5
173.13275	9.4
175.11171	2.6
175.14873	4.5
177.12769	2.3
179.08606	0.9
179.10651	2.2
180.09396	1.2
181.08638	0.7
181.10123	4.9
182.10965	1.5
183.11699	13.3
185.09679	1.4
185.13284	12.0
187.11186	2.2
187.14851	6.9
189.12740	4.0
189.16373	2.7
191.14348	1.7
193.10201	1.8
194.10899	1.2
195.11742	7.4
196.12491	1.3
197.13303	7.4
199.11275	0.8
199.14844	7.6
200.15439	1.0
201.12779	3.2
201.16399	4.8
203.14330	2.4
207.11755	1.6
208.12587	1.0
209.13287	6.2
210.13914	1.1
211.14844	6.6
213.12827	1.6
213.16368	5.9
215.14355	2.8
215.18024	2.3
217.15919	2.1
221.13203	1.8
222.14114	0.8
223.14828	7.8
225.16403	14.8
226.17276	1.3
227.14351	1.8
227.17970	15.2
229.15961	1.8
229.19496	2.3
235.14888	2.9
237.16437	5.5
239.17973	2.7
241.15901	2.8
243.17471	2.9
247.14848	1.1
249.16397	1.7
251.18053	4.8
253.19621	5.3
255.17485	5.6
255.20988	0.8
261.16196	1.0
263.18011	1.9
265.19507	3.2
267.17438	1.3
267.21014	1.7
269.19119	1.6
271.20532	1.4
273.18796	1.0
279.17609	0.9
281.22638	1.4
283.20743	1.6
283.24051	1.4
291.21173	2.0
293.22620	9.6
296.21356	0.8
297.22195	2.4
299.23691	5.1
309.22150	6.4
311.23730	27.9
327.23215	9.1
329.24780	26.6
337.25500	1.2
363.22977	1.3
365.24683	1.2
403.29996	2.1
409.30914	3.2
419.29486	1.3
421.31097	3.3
431.29385	1.3
437.30481	2.4
439.32126	3.6
449.30539	3.6
457.33240	4.4
457.90564	0.9
467.31641	12.1
469.33273	10.0
481.33261	1.6
499.34210	100.0
500.34348	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
53.20657	1.5
55.05511	3.6
57.07063	1.6
61.18758	1.5
67.05512	8.3
69.03416	2.4
69.07057	4.9
69.26625	15.3
77.18604	1.6
79.05460	5.3
81.07062	12.1
81.12251	1.7
91.05481	17.0
93.07047	70.3
95.04961	4.2
95.08160	1.5
95.08615	18.8
97.06528	1.9
98.20802	3.5
105.07038	9.7
107.08571	9.8
109.06508	2.8
109.10146	7.1
111.08067	5.6
117.06979	3.3
119.08604	13.3
121.06486	8.2
121.10117	6.6
122.96573	1.6
123.08047	6.8
123.11658	3.6
125.09631	4.7
128.06212	1.6
129.07022	2.5
131.08562	6.8
133.10150	9.5
135.08084	2.5
135.11722	4.7
137.09636	10.1
142.07813	2.4
143.08546	7.2
145.10144	12.0
147.08112	3.5
147.11670	3.1
149.09631	1.9
151.11186	3.1
153.09113	12.5
155.08540	2.7
157.10114	17.1
159.11697	10.1
161.09601	6.9
161.13287	3.5
165.09122	8.4
167.29427	1.9
169.10100	7.0
171.11719	9.2
173.09645	2.6
173.13208	3.3
175.11186	3.0
179.14325	3.0
181.10074	2.5
183.11755	10.2
185.13293	8.8
187.11200	2.0
187.14803	2.7
189.09117	2.0
189.12798	2.0
193.10197	3.8
195.11642	3.9
196.12303	1.8
197.13297	4.8
199.14764	4.1
207.11676	3.3
208.12383	2.7
209.13197	6.2
211.14774	4.0
217.15758	2.4
221.13171	3.4
223.14861	9.6
225.16385	4.4
227.17873	2.1
229.15997	1.8
237.16299	2.5
249.16374	4.7
269.19092	3.8
293.22559	3.0
295.20605	8.4
307.20520	6.9
311.19983	2.3
311.23526	2.2
325.21661	15.8
353.20929	1.9
379.26208	3.0
421.31119	4.3
431.29645	4.3
437.30453	7.9
449.30530	9.0
463.31885	6.8
464.30737	2.3
467.31589	100.0
481.33118	3.6
499.34280	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3421
Annotation	CHEBI:69006
Peak:m/z	Relative Intensity
50.81796	0.4
55.05512	2.0
64.07699	0.4
65.03934	0.5
67.05513	3.3
69.03434	1.1
69.07076	2.1
69.38860	2.9
71.04999	4.9
72.83012	0.3
73.06541	1.4
79.05505	3.5
81.03458	0.3
81.07063	6.1
83.04980	1.0
83.08622	0.6
83.11015	0.4
85.06561	0.6
87.08101	0.7
91.05479	4.4
93.07049	5.6
95.04984	0.9
95.08609	6.9
96.90761	0.4
97.06526	2.2
99.08128	0.3
103.05516	0.5
105.06386	0.6
105.07034	7.1
107.08601	7.9
109.06522	1.3
109.10165	4.2
111.08076	3.8
113.09673	0.5
115.05432	0.5
116.21037	0.3
117.07005	1.7
119.05975	0.3
119.08592	8.1
121.06503	1.7
121.10149	5.3
123.08067	2.1
123.11720	0.7
125.09653	0.7
128.06203	0.9
129.07004	1.8
130.07787	0.4
131.08572	5.0
133.06526	0.6
133.10133	5.8
135.08060	2.0
135.11705	1.5
137.05977	1.1
137.09660	2.2
139.07542	4.8
141.06989	0.5
142.07823	1.3
143.08585	4.2
144.09367	0.8
145.10129	5.9
147.08112	1.7
147.11681	3.1
149.09616	1.1
149.13295	1.2
151.07561	0.7
151.11185	0.7
152.07860	0.4
155.08585	1.2
156.09355	0.8
157.10135	5.6
158.10974	0.4
159.08067	0.7
159.11699	6.4
161.09619	2.2
161.13280	2.8
162.59406	0.3
163.11214	1.0
163.14864	0.9
167.08507	0.4
168.09389	0.5
169.10118	3.5
170.10944	0.7
171.11697	4.6
172.12492	0.4
173.09692	0.7
173.13272	3.1
175.11211	1.6
175.14847	1.6
177.09219	0.5
179.08635	0.5
180.09294	0.4
181.10155	1.3
182.10841	0.8
183.11700	4.0
184.12579	0.4
185.09644	0.4
185.13254	4.8
187.07506	0.4
187.11267	0.9
187.14856	2.7
189.12778	0.8
189.16423	1.1
191.14328	0.3
193.10150	0.6
194.10934	0.4
195.11737	1.9
196.12509	0.4
197.13275	2.5
199.11230	0.7
199.14828	3.1
201.12733	1.1
201.16396	1.1
203.14291	1.0
205.15921	0.7
207.11737	1.1
208.12608	0.4
209.13275	2.7
210.13977	0.5
211.11057	0.4
211.14890	1.7
213.16357	1.8
215.14317	1.0
215.17961	0.6
217.15952	0.8
221.13310	0.8
223.14867	1.8
225.16380	4.0
227.14375	0.8
227.17952	2.5
229.15977	0.9
231.14194	0.4
235.14833	0.6
237.16437	1.7
239.17931	0.7
241.15797	0.6
241.19487	0.7
243.17522	1.0
247.14835	0.4
249.16478	0.9
251.17964	1.4
253.19713	0.6
255.17555	0.8
257.18906	0.6
265.19574	0.8
267.21063	0.5
269.19073	0.5
269.22675	0.4
271.16974	0.4
272.85571	0.4
279.17581	0.4
279.21149	0.4
291.21249	0.8
293.22797	0.8
297.22220	0.6
309.22165	1.8
311.23630	2.2
327.23370	1.1
329.24808	0.9
329.86462	0.5
353.24918	0.4
403.29990	0.4
409.31128	0.7
421.30948	0.8
441.95386	0.4
457.33270	1.5
467.31503	1.3
469.33167	9.9
499.34213	100.0
500.34750	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83082	3.9
55.05516	33.0
57.07082	4.8
67.05504	18.9
69.03425	12.7
69.07070	12.3
69.11243	3.8
71.35014	7.9
79.05501	19.8
81.03412	4.5
81.07059	33.9
83.04993	50.8
83.08623	12.2
91.05488	28.8
93.07047	43.9
95.04983	7.3
95.08616	38.8
97.06535	6.9
105.07037	38.3
107.08602	56.4
109.06480	10.3
109.10184	29.0
117.07035	19.4
119.08582	70.0
121.10157	50.7
123.11733	18.0
130.07770	6.1
131.08572	25.1
133.10129	41.2
135.08026	5.0
135.11731	35.7
137.09650	5.6
137.13252	6.1
139.07545	7.4
141.06973	6.4
142.07834	4.0
143.08556	16.9
145.10135	41.8
147.07999	7.6
147.11717	21.9
149.13216	15.4
155.08617	9.9
157.10133	22.3
159.08020	8.4
159.11690	38.7
161.09607	12.4
161.13277	17.2
163.14836	11.3
169.10170	5.0
171.11703	12.7
173.09596	34.5
173.13315	19.0
175.11237	8.2
175.14842	13.3
177.12857	5.1
183.11662	5.3
185.13261	13.9
187.11246	6.0
187.14816	25.3
189.16389	21.6
191.10667	17.0
191.17931	5.7
195.11752	5.2
197.13319	6.2
199.14825	17.7
201.16388	49.8
203.17984	7.9
209.13292	10.5
211.14798	6.2
213.16409	11.6
215.17958	9.5
223.14919	7.6
225.16412	6.8
227.14296	13.8
229.19551	9.6
237.16306	8.3
239.17891	5.8
245.15396	5.9
249.16399	4.4
253.19548	4.7
255.21062	8.0
257.22598	5.1
295.24170	26.8
307.20374	3.9
313.25180	13.1
319.24213	13.0
337.25058	5.2
345.25735	7.8
353.28574	4.9
363.22607	6.8
363.26868	100.0
381.27933	88.0
399.28769	9.3
413.30487	47.2
463.32050	33.1
481.33203	38.0
499.34601	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	499.3265
Annotation	Hemiasterlin B
Peak:m/z	Relative Intensity
53.03939	4.6
55.05507	8.4
56.26330	2.6
67.05508	18.7
69.03416	10.0
69.07066	3.8
69.22961	17.7
69.23384	10.7
71.01349	6.1
78.79304	2.7
79.05499	19.4
81.03416	4.8
81.07059	32.7
82.99969	2.4
83.04980	8.5
85.02911	28.0
86.53967	2.7
87.47558	2.7
91.05501	21.2
93.07044	18.9
95.04968	11.0
95.08613	66.4
97.02872	5.3
97.06532	4.9
98.21522	6.6
103.05470	2.5
103.18484	2.4
105.07031	25.4
107.04951	11.7
107.08592	22.5
109.02896	3.7
109.10146	13.7
110.01553	2.6
117.06997	9.1
119.04971	2.9
119.08590	28.2
121.06524	3.7
121.10140	12.5
123.11713	3.6
127.03913	6.7
128.06186	3.6
129.07004	5.4
131.04987	3.1
131.08565	15.6
133.06430	6.3
133.10162	28.8
135.08040	8.0
135.11687	18.0
137.06007	3.3
137.07629	2.8
141.06981	4.4
143.08582	11.5
145.05022	6.3
145.06467	5.9
145.10101	23.5
147.08067	11.3
147.11707	15.6
147.12691	2.9
149.05983	3.7
149.09724	3.5
149.13243	12.2
151.11192	17.0
155.08559	9.7
157.10146	15.1
159.08044	7.6
159.11703	19.9
161.05972	4.6
161.09627	3.5
161.13292	17.8
163.07559	4.3
163.14851	6.0
165.09210	3.1
166.07773	2.9
167.08575	5.0
169.10127	6.2
171.08076	6.3
171.11662	8.0
173.09641	8.2
173.13255	14.0
175.07487	3.8
175.14830	13.1
177.09079	3.7
179.08569	3.2
180.09306	3.8
182.10939	3.8
183.08089	9.3
183.11659	5.8
184.08890	5.3
185.09616	11.9
185.13266	6.5
187.11215	4.9
187.14838	10.6
189.16364	8.5
192.09319	3.6
195.11697	8.3
197.09644	8.8
197.13275	7.3
199.11200	13.5
199.14838	8.6
201.12749	4.3
201.16396	11.5
203.17995	7.4
205.16055	3.2
207.11737	4.3
208.12201	3.0
211.11186	4.2
213.12856	6.1
215.10654	4.8
215.17946	17.0
221.13274	3.9
223.11172	3.3
225.12726	6.6
227.14262	8.4
227.18025	4.7
231.11697	3.6
233.19095	8.0
239.14310	2.8
241.12201	11.8
243.13840	11.3
251.14377	3.5
257.22668	7.5
261.12866	3.9
263.14584	3.8
279.13809	4.8
280.64117	2.7
283.24210	85.6
301.14355	5.4
301.25266	100.0
303.17688	3.6
316.45987	3.0
319.26367	4.7
357.18323	3.0
375.17996	63.2
388.61002	3.7
403.19006	7.5
421.20084	13.2
439.20932	9.5
499.23981	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.9
55.01872	2.6
55.05501	2.6
63.33566	1.8
65.03939	3.1
65.34737	1.5
67.05518	9.7
69.03423	4.3
69.07053	5.9
71.01354	9.2
71.04999	3.2
71.56257	1.9
75.56852	1.7
77.03951	1.5
79.05147	1.4
79.05508	18.3
81.03411	3.0
81.07065	12.3
83.04966	5.6
91.05489	16.0
93.07054	17.3
95.04981	10.0
95.08626	9.0
97.06528	3.8
103.05476	3.3
105.07029	19.7
107.04958	19.7
107.08067	1.3
107.08618	14.7
109.06522	7.2
109.10159	5.2
111.08078	3.2
115.05477	3.9
117.06989	9.2
119.04938	3.8
119.08585	27.5
121.06506	6.9
121.10153	4.5
123.08096	2.3
128.06233	5.3
129.07025	8.9
131.04935	3.9
131.08560	15.0
133.06499	11.1
133.10141	13.1
135.04434	4.3
135.08057	7.1
135.11687	1.9
137.05975	3.7
137.09673	2.3
139.07547	9.5
141.06975	5.4
142.07784	4.8
143.08577	19.0
145.06490	5.7
145.10083	10.5
147.08060	12.9
147.11674	2.3
149.06012	4.2
149.09634	4.7
153.07016	3.1
154.07736	2.9
155.08546	10.8
156.09383	8.0
157.06535	2.9
157.10133	19.4
159.08044	13.4
159.11673	8.5
161.05988	11.1
161.09612	10.9
161.13281	2.4
163.07568	8.2
163.11165	2.3
165.07007	3.7
165.09148	2.8
166.07837	2.2
167.08575	7.2
168.09378	3.0
169.06384	3.2
169.10112	15.1
170.10936	4.5
171.08067	13.1
171.11685	17.0
172.08757	1.7
173.09616	9.3
173.13266	5.6
175.07509	2.6
175.11224	2.9
175.14804	2.3
177.05443	2.4
177.09120	7.0
179.07051	1.9
179.08549	6.1
179.10687	1.8
180.09341	4.4
181.10126	8.1
182.10901	5.1
183.08073	4.9
183.11703	17.8
184.08792	3.3
184.12463	2.9
185.09610	13.2
185.13290	9.6
186.10309	2.5
187.07581	3.4
187.11188	6.7
187.14804	4.9
189.05492	2.0
189.09090	2.1
189.12773	2.0
191.07068	2.1
192.09358	3.2
193.10144	5.4
194.10953	5.9
195.11760	7.9
197.09621	18.9
197.13252	17.3
198.10405	3.1
199.11203	22.0
199.14847	6.3
200.11943	3.5
201.09096	3.0
201.12744	5.6
203.06966	2.0
203.10657	2.2
206.10939	3.2
207.11777	7.8
208.08940	1.7
208.12488	2.7
209.09636	5.5
209.13248	10.4
210.10413	3.8
211.07706	2.0
211.11186	5.5
211.14859	1.7
212.11909	2.0
213.09233	3.3
213.12747	10.6
215.10672	6.9
215.14313	4.9
217.10237	2.3
218.10970	2.7
219.11693	2.3
220.12502	1.9
221.13225	4.3
223.11165	5.0
223.14780	3.7
225.09157	2.0
225.12753	17.4
225.16266	2.3
227.10588	4.1
227.14369	15.2
229.12187	2.6
229.47618	1.6
231.11679	2.2
231.13724	2.9
233.13298	4.5
235.11133	4.2
235.14793	2.4
237.09106	2.5
237.12764	5.3
237.16435	2.9
238.13873	1.5
239.14284	3.5
241.12218	26.9
243.11803	2.6
243.13879	14.8
245.15512	2.9
247.11066	2.9
249.12608	3.4
249.16513	4.3
251.10684	2.3
251.14294	7.1
253.12292	3.9
255.13780	2.0
258.10129	2.0
258.13873	2.2
259.13092	2.6
261.12656	2.4
263.14401	2.9
265.15744	2.1
267.13876	2.0
270.13843	1.6
271.13666	1.9
273.12637	2.4
275.14438	2.1
275.17740	1.7
277.16031	2.4
279.13669	6.0
279.16785	2.2
297.14877	4.2
301.14273	10.5
303.17245	2.3
309.18576	4.5
311.23657	2.9
315.16040	5.2
320.38477	1.7
331.16788	3.0
339.15964	5.7
339.19623	2.5
343.16980	2.5
347.16336	5.9
349.17709	2.4
355.17307	1.8
357.18246	4.7
361.17917	7.2
365.17340	2.1
373.18103	2.5
375.18051	100.0
377.17233	2.8
379.19095	4.2
385.18024	3.2
391.19162	2.7
393.20547	4.0
395.18411	6.0
403.19168	11.9
409.19919	2.1
421.20175	24.5
439.21201	22.6
457.21927	1.9
469.33069	4.2
481.21887	7.0
499.23074	35.2
499.34073	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	499.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	7.6
55.05490	8.0
61.89539	2.5
65.03911	3.3
67.05477	9.6
69.03429	15.2
69.07076	13.5
69.47819	6.6
69.48224	14.8
71.01344	2.9
71.04988	4.5
77.07368	2.6
79.05495	22.9
79.95868	2.5
81.03429	15.1
81.03794	3.1
81.07035	8.5
83.04979	6.6
85.02904	3.4
85.06532	3.4
91.05482	25.6
93.03378	7.5
93.07037	15.2
95.01321	4.0
95.04956	17.4
95.08570	11.8
97.06507	2.9
98.20776	6.4
99.04456	3.1
103.05430	4.4
105.07035	36.3
107.04923	9.2
107.08611	17.5
109.02805	4.8
109.06489	7.6
109.10175	6.7
109.58328	2.5
111.04418	6.2
115.04669	2.4
115.05437	9.4
116.06263	4.0
116.32080	2.6
117.07035	15.5
119.04884	3.9
119.08580	37.6
121.02899	3.0
121.06526	14.0
121.10097	9.9
123.08044	5.4
125.05985	3.5
128.06177	9.5
129.06972	10.7
131.04988	3.1
131.08543	19.9
133.06448	11.1
133.10136	20.2
135.08047	27.9
137.06003	3.3
137.09584	4.2
141.06947	6.5
142.07744	11.5
143.08549	28.1
145.06480	15.0
145.10133	27.8
147.08061	18.6
147.11626	5.0
149.05968	3.3
149.09595	9.8
153.06984	3.3
155.08539	14.2
156.09338	14.2
157.09184	3.0
157.10164	31.0
159.08052	24.4
159.11642	10.8
161.05927	11.0
161.09607	24.5
163.07553	42.1
163.11104	4.8
165.07059	4.9
167.08478	8.5
169.06471	3.3
169.10147	15.7
170.10889	11.2
171.08055	41.8
171.11717	29.6
172.08647	4.2
173.09618	24.6
173.13231	6.1
175.07503	4.9
175.11235	4.8
177.09117	9.7
179.08476	5.2
179.10638	4.9
180.09354	5.5
181.10132	6.8
182.10883	4.0
183.08022	12.4
183.11676	15.3
184.08733	4.1
185.09668	25.7
185.11154	4.2
185.13194	20.7
186.10378	3.3
187.11182	13.8
189.09058	10.3
189.12788	3.5
191.10680	7.0
193.10104	8.8
194.10913	4.2
195.08083	5.4
195.11713	13.8
197.09581	12.4
197.13217	11.7
198.10342	12.4
199.07605	4.4
199.11227	30.5
199.14738	4.1
200.11916	11.7
201.09151	18.3
201.12656	6.8
203.06973	7.2
203.10570	3.8
203.14397	3.3
206.10855	4.1
207.11623	9.1
208.12532	4.5
209.13197	8.2
211.11122	12.0
211.14690	4.7
213.09166	4.3
213.10812	4.6
213.12729	68.2
215.10666	8.4
215.14238	5.4
217.08554	32.2
217.11981	3.4
219.09999	4.9
221.13335	7.0
223.11113	9.1
223.14735	4.9
225.09090	4.8
225.12740	9.1
227.10512	4.6
227.14212	5.1
229.08566	11.8
231.10123	7.9
231.13741	19.2
233.11478	5.7
233.15318	6.1
235.11166	3.8
235.14769	5.6
236.11884	3.7
237.12697	4.4
239.10631	4.0
241.12109	15.0
243.10147	3.3
243.13834	7.1
245.13339	3.3
247.11124	4.5
247.14920	5.9
249.12639	5.9
249.16406	3.9
251.14249	5.9
253.12241	3.6
259.10904	4.9
259.13245	46.8
261.11111	5.0
263.14221	8.4
275.14050	3.3
277.14304	46.5
287.17929	3.7
289.15805	3.7
305.18942	7.3
315.17282	3.2
321.18555	4.3
329.19122	3.7
331.16705	4.0
333.14633	3.4
333.18384	7.1
337.16425	7.7
339.19644	4.6
343.16754	8.0
345.18536	4.7
347.19724	4.8
357.18414	9.4
361.18018	16.6
375.18820	34.3
381.20517	5.2
385.17947	12.1
389.20792	4.2
393.20444	5.2
403.18979	39.4
413.17734	6.1
421.19998	67.7
439.20679	31.0
481.22235	21.6
499.22964	100.0
499.33237	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55802	0.7
52.69941	0.6
55.05495	0.9
65.03935	2.9
69.03428	1.8
70.06577	1.0
70.60291	1.1
74.24988	0.7
79.05509	0.7
80.49642	0.9
81.03417	1.0
81.07061	1.1
85.02904	3.0
88.23150	0.8
92.05006	2.9
96.08119	2.6
108.08147	0.9
109.02873	0.7
109.06556	0.9
122.06144	1.0
124.07610	3.6
126.09160	7.5
127.03864	0.9
127.73165	0.7
128.49985	0.7
138.09125	2.7
148.03886	3.7
150.05476	1.5
152.07079	24.7
163.03920	0.7
164.03328	1.1
166.05002	44.0
176.03410	7.2
182.04521	9.9
193.12204	1.6
194.04503	4.4
198.07761	0.8
199.08658	0.8
200.10800	1.4
208.61273	0.8
209.10745	1.1
211.08708	0.7
212.09491	2.3
215.08170	1.9
225.10292	1.4
227.08255	1.0
227.11761	3.6
228.10159	1.2
229.13315	0.9
233.09195	1.3
240.08928	2.2
243.11232	0.9
245.09163	1.0
253.09683	4.0
254.08159	1.6
255.07841	0.9
255.11241	3.5
257.09247	1.6
257.12952	0.9
259.07150	1.9
261.12503	1.0
270.09946	1.7
271.10812	9.0
272.09189	1.5
273.08984	1.0
273.12347	2.0
281.59256	0.8
283.10770	39.8
288.10971	1.0
289.11972	3.4
291.13544	0.9
301.11847	30.8
319.12894	100.0
320.13318	1.0
337.13901	1.4
384.23904	0.8
481.18134	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	499.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09640	1.1
51.87105	1.1
53.03935	3.8
54.28368	1.0
55.01875	9.5
55.05496	3.5
57.03441	2.0
64.93707	1.0
65.03927	3.7
67.05509	9.4
69.03424	7.2
69.07043	1.1
70.81397	2.1
71.04971	1.5
77.03925	1.4
79.05492	15.3
81.03419	9.7
81.07076	6.0
83.01353	1.4
83.04959	4.3
85.02909	1.5
91.05484	20.0
93.03390	1.7
93.07038	8.1
95.01301	2.2
95.04967	28.6
95.08616	7.4
97.02871	3.7
97.06515	2.7
103.03922	2.2
103.05460	5.5
105.03419	2.1
105.07034	35.1
107.04955	8.0
107.08604	6.5
109.02866	2.6
109.06528	9.2
109.10123	1.7
111.04422	2.0
111.08101	1.8
115.05431	9.6
117.07018	15.4
119.04939	5.9
119.08575	14.8
121.02843	3.0
121.06508	10.4
121.10114	1.8
122.07253	1.6
123.04411	4.1
123.08042	6.8
125.05969	5.2
128.06230	9.3
129.07004	10.7
130.07765	3.4
131.04918	5.2
131.08572	13.0
133.06502	28.7
133.10109	6.8
135.04375	4.8
135.08046	10.5
135.11668	1.3
137.05962	7.0
141.06987	7.2
142.07761	9.0
143.08556	20.0
144.05634	2.0
144.09262	1.5
145.06488	24.8
145.10115	13.2
146.07253	1.8
147.04388	3.7
147.08038	11.7
147.11627	2.3
149.05995	8.4
149.09604	3.4
151.07518	4.9
152.06169	1.1
153.05492	1.5
153.06941	3.2
154.07738	7.2
155.06070	1.1
155.08563	9.9
156.09329	9.4
157.06517	6.2
157.10121	16.7
158.07259	5.2
159.04430	2.0
159.08066	22.1
159.11661	5.6
160.08812	1.7
161.05983	55.0
161.09566	6.8
162.06703	4.5
163.07545	18.7
163.11174	1.3
165.05513	1.8
165.06969	5.3
166.07744	4.0
167.07112	1.2
167.08562	5.3
168.09290	1.3
169.06454	6.9
169.10107	11.1
170.07228	2.9
170.10857	2.3
171.04332	1.9
171.08049	19.4
171.11694	11.0
172.08830	6.8
173.05943	4.5
173.09616	19.7
174.06787	1.3
175.07523	9.8
175.11205	2.9
177.05484	2.9
177.09067	5.3
178.07771	2.3
179.06972	8.0
179.08551	6.7
180.09329	1.9
181.04868	1.4
181.06374	1.9
181.10158	7.4
182.07233	4.9
183.08035	12.2
183.11702	5.3
184.08778	4.8
185.05984	8.7
185.09630	16.9
185.13145	3.0
186.06744	1.7
186.10263	2.3
187.03911	1.6
187.07550	29.0
187.11169	11.6
188.08051	1.3
189.05412	5.0
189.07074	1.6
189.09088	8.4
189.12756	1.5
191.07027	3.4
191.08591	1.5
192.09325	1.6
193.10080	5.1
194.10904	1.9
195.08055	7.8
195.11688	3.5
196.08794	2.6
197.05957	5.1
197.09610	24.3
197.13141	1.7
198.06714	1.5
198.10350	4.6
199.07547	15.9
199.11169	26.5
200.08322	2.5
200.11926	1.7
201.05440	1.6
201.09132	6.9
201.12729	1.5
202.07748	1.8
203.07007	6.2
203.08649	1.6
203.10646	3.0
205.08580	4.1
207.06401	1.5
207.08122	2.4
207.11667	4.9
208.08766	2.1
209.06004	3.0
209.09547	6.0
209.13232	2.5
210.10445	1.3
211.07602	8.1
211.11224	5.2
212.08287	2.5
212.11850	1.6
213.05406	2.6
213.09099	14.1
213.12712	6.3
215.07098	6.5
215.10638	15.1
216.11308	2.4
217.08505	9.7
217.10335	1.4
217.12166	18.1
219.08255	1.6
219.09955	2.3
219.11813	2.6
220.08847	1.7
220.12402	1.9
221.09570	3.2
221.13144	1.9
223.07547	5.7
223.11108	3.9
225.05443	4.7
225.09106	20.1
225.12604	2.1
227.06970	4.6
227.10559	5.5
227.14261	2.0
229.08455	6.1
229.12213	2.0
231.10043	6.0
231.13725	1.7
233.09628	2.6
233.13358	2.7
235.07480	2.4
235.11151	4.3
235.14754	1.8
236.11951	1.7
237.09048	4.1
237.12653	2.8
239.06918	2.8
239.10626	4.1
241.08502	12.6
241.12152	2.9
243.06372	2.7
243.10049	13.4
243.13858	1.7
244.07314	1.5
245.07805	5.4
245.11597	2.5
245.13600	1.7
246.08795	4.3
247.09506	3.5
247.11382	2.3
247.14877	1.7
249.09085	1.6
249.12836	2.8
251.07086	1.4
251.10675	3.7
251.14253	1.5
253.08403	2.6
255.10143	4.4
257.08014	14.8
257.11719	3.8
259.09482	15.7
259.13782	1.1
259.14703	1.2
260.11945	1.5
263.10785	2.4
263.14368	1.5
265.08441	1.8
265.12244	2.6
267.10056	2.5
269.07950	3.8
270.10577	1.5
271.09711	4.9
273.11182	2.4
275.08728	5.6
275.12964	1.7
277.12225	1.6
279.10031	1.3
279.13492	1.4
281.11472	2.3
283.09528	2.8
284.12027	1.3
285.11166	9.1
286.09784	1.5
286.13403	2.0
287.09122	1.9
287.14203	3.0
288.11655	1.3
289.12491	2.4
291.10291	1.7
291.13690	2.1
293.11804	1.7
299.10205	1.2
301.10620	7.6
301.15643	1.4
303.12222	40.6
305.15265	2.5
307.09637	1.8
314.12921	1.4
315.13626	3.4
317.11725	1.3
317.15274	3.0
319.11734	15.8
319.16672	2.4
321.13351	3.8
327.13452	1.3
329.15247	2.6
331.13440	2.1
331.16891	1.6
333.14624	2.0
333.18292	2.3
339.13889	1.4
339.19345	1.8
343.13156	2.7
347.16183	2.6
349.14017	1.6
349.17871	1.6
351.15826	1.4
357.14435	4.8
359.12360	2.3
359.16260	1.6
361.13998	2.6
361.18045	1.9
367.13043	1.7
371.13159	1.5
373.14200	1.6
375.18442	3.2
377.13281	2.1
377.17404	4.7
385.14288	4.9
387.11914	2.1
391.15121	4.8
393.16806	2.6
395.18744	8.4
401.13809	2.0
403.15057	6.4
403.19717	1.6
413.13660	1.9
419.14642	5.1
421.15771	7.9
421.20840	2.7
427.15781	1.3
431.14682	5.0
433.16702	1.9
435.17981	1.7
437.15735	2.3
439.16959	11.0
445.16211	3.8
449.15842	6.5
451.17245	5.4
453.18854	4.5
455.16766	3.8
463.17297	14.0
467.17044	11.3
469.18097	1.6
481.18497	42.6
499.19403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81713	0.5
53.03920	0.5
65.03934	2.2
69.03423	1.4
69.22623	2.9
69.23048	2.6
70.06573	1.8
79.05474	0.7
81.03416	0.8
81.07050	1.0
84.08128	0.6
85.02901	2.4
86.09698	0.8
91.05431	0.6
92.05013	2.9
96.04508	0.6
96.08137	3.1
96.58409	0.6
97.02903	1.0
105.06998	0.8
110.05997	0.6
122.06015	1.6
124.07619	3.9
126.09159	7.2
127.03876	0.6
133.10217	0.7
137.05992	1.0
138.09146	1.4
139.03889	0.8
145.10092	0.8
146.06046	0.6
148.03923	3.8
150.05540	1.1
152.07082	25.1
163.03871	1.3
166.05017	42.9
176.03447	8.8
182.04503	7.0
194.04491	4.4
194.08286	0.6
198.07823	1.3
199.08597	1.1
200.10721	2.4
210.09229	0.6
212.09465	2.0
215.08138	1.5
225.10226	2.0
227.08174	1.4
227.11769	3.6
228.10190	2.1
229.13321	1.4
230.08130	0.7
233.09204	1.8
237.10281	1.4
240.08990	2.2
241.06078	0.9
241.09758	0.9
242.10443	0.7
243.11122	1.4
253.09718	4.5
254.08167	0.7
255.11295	3.6
257.09216	2.6
257.12933	0.9
259.07220	1.8
261.12305	1.6
270.10049	1.2
271.10788	6.9
272.09204	1.1
273.08862	0.8
273.12357	3.1
283.10794	38.8
288.11136	1.2
289.11823	5.1
301.11838	29.3
319.12900	100.0
320.13300	0.8
337.14053	1.3
348.86578	0.7
481.18005	1.5
499.16727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51242	1.1
66.61391	1.1
69.03433	1.5
70.99861	1.3
71.53903	1.2
81.03416	1.5
82.99860	2.7
85.01430	1.4
85.02896	3.0
86.78640	1.0
86.99368	0.9
92.80901	1.0
97.02897	1.3
98.97586	2.9
100.90646	1.0
101.00888	17.6
103.02460	4.7
105.03399	2.8
109.02879	1.9
110.97576	1.2
113.00862	6.6
115.02405	1.4
117.03392	1.3
119.01938	21.2
119.04954	1.4
125.00822	1.1
127.02426	15.7
127.59882	1.2
129.00366	1.4
129.03975	1.6
131.01932	16.8
133.03502	1.1
133.54022	1.0
137.00891	1.1
137.02901	1.1
139.02409	3.1
141.03914	1.0
143.01915	25.8
145.03510	42.6
147.01411	3.3
147.03319	1.1
147.04381	2.3
149.02992	1.3
150.35197	1.0
155.00633	1.8
155.01901	36.8
157.03468	21.6
157.91542	1.0
159.01497	1.0
159.04965	1.1
161.02960	27.3
163.04510	3.5
167.01910	14.0
169.03502	4.3
170.99965	1.8
171.01395	9.8
171.05048	3.5
173.02975	49.2
175.04549	3.5
177.05484	6.4
179.01924	6.1
181.03506	2.1
181.04985	1.2
183.01353	2.0
185.02979	54.8
187.04498	8.1
189.02454	9.2
191.04047	2.0
196.04646	1.9
197.02965	20.1
199.00912	6.6
199.04529	4.3
201.02466	2.8
203.04048	16.0
204.04082	1.2
207.40466	1.0
209.03017	4.8
211.00934	1.7
211.04553	2.0
215.04025	10.3
217.01953	69.5
219.01765	1.5
220.04550	1.3
221.05215	4.8
227.04048	13.3
229.01933	12.1
229.05519	2.4
233.05142	1.8
235.02959	13.9
235.05002	1.3
237.03018	1.1
239.04062	1.8
245.05090	100.0
246.05278	1.9
247.02916	11.0
247.04791	1.2
257.05069	15.5
263.06110	12.2
275.06091	14.2
277.04041	20.0
277.06799	1.4
293.07260	4.7
301.04108	9.9
305.07169	12.5
319.05090	30.2
319.08582	1.5
335.08157	5.6
337.06137	38.9
342.80814	1.1
365.09396	14.2
449.41174	1.2
481.09979	1.1
499.11444	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	498.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.1
57.07067	1.6
58.06601	13.1
60.04518	2.2
67.05503	4.3
69.03442	0.7
69.07065	4.1
69.30093	3.3
69.30501	1.2
79.05482	2.4
81.07058	6.6
83.04980	14.4
83.05459	1.0
83.08611	1.0
84.08145	1.7
85.06543	7.4
89.06057	0.7
91.05479	1.5
92.91180	0.5
93.07040	5.7
95.08602	7.5
96.85621	0.5
97.06537	1.3
97.10162	1.1
100.07635	5.5
105.07019	4.0
107.08591	8.6
109.10155	9.0
109.10838	0.8
111.08036	0.5
114.29332	0.5
119.08585	7.1
121.10137	6.5
123.11709	3.5
125.09621	6.2
126.09135	1.7
129.07031	1.0
131.08574	3.3
133.10143	5.4
135.11700	5.6
137.13261	1.5
138.70126	0.6
142.07724	0.6
143.08566	3.3
145.10109	4.9
147.11696	3.6
149.13278	1.5
155.08553	0.7
157.10144	3.9
159.11713	6.3
161.13255	3.9
163.14835	1.4
169.10126	1.6
171.11678	4.1
173.13258	4.4
175.14842	2.5
183.11719	1.6
184.13358	1.7
185.13258	4.8
186.14041	0.6
187.14824	5.2
189.16434	1.5
197.13342	2.0
199.14795	3.4
201.16452	2.1
203.17921	0.7
211.14885	1.7
213.16393	3.6
215.17984	2.4
224.15643	0.8
225.16479	2.2
227.17886	3.2
229.19530	2.7
237.16649	0.6
239.18047	1.8
241.19574	2.1
243.20863	0.6
253.19562	0.8
255.21133	2.4
267.21085	1.2
269.22461	0.7
279.21231	0.7
281.22653	0.8
295.24213	1.3
297.25861	1.6
323.27542	1.1
325.28943	0.9
337.29077	1.6
341.28305	0.8
403.33640	1.8
403.38840	0.6
421.34470	3.6
439.35599	1.9
498.39423	100.0
499.39865	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96633	0.7
53.01025	0.8
55.05515	5.3
57.07081	1.0
57.26736	0.8
58.06603	11.6
60.04525	1.6
64.62121	0.6
66.18794	0.7
67.05515	4.3
69.07072	4.6
69.97710	3.7
71.04972	1.3
72.03305	0.7
72.08146	2.1
74.09711	1.1
79.05485	2.2
80.52930	0.7
81.07069	6.1
83.04986	16.3
83.08630	1.6
84.08137	1.7
85.06552	4.9
91.05497	2.8
93.07046	5.2
95.05038	0.7
95.08618	9.0
97.06523	1.7
97.10178	1.4
98.21616	0.8
99.08067	1.3
100.07632	3.1
100.71951	0.8
105.07040	5.0
107.08595	9.2
109.10160	9.5
114.09171	1.8
117.07045	1.5
119.08596	7.8
121.10146	8.0
123.11703	3.9
124.11272	0.8
125.09650	6.0
126.09145	1.6
129.06984	1.0
131.08525	3.4
133.10150	5.6
135.11697	6.2
137.13275	1.0
143.08572	3.0
145.10146	7.6
147.11681	4.4
149.13272	3.3
157.10130	3.0
159.11705	7.1
161.13246	5.1
163.14777	1.8
163.24632	0.8
171.11670	2.8
171.58380	0.8
173.13268	6.4
175.14842	2.8
177.16440	1.1
178.95146	0.7
179.14320	0.8
183.11711	1.3
185.13264	3.3
187.14894	4.7
189.16420	3.1
197.13315	1.4
199.14758	3.5
201.16444	2.7
203.18044	1.6
211.14934	0.9
213.16365	3.6
215.18008	2.7
219.40288	0.8
225.16391	0.9
227.17953	3.5
229.19543	3.2
239.18056	1.4
241.19553	2.5
243.21033	1.1
251.17973	1.0
255.21019	2.7
259.20566	1.0
265.19675	0.9
267.21115	1.4
269.22540	1.7
281.22647	1.3
287.23676	1.1
295.24399	1.3
297.25827	1.1
311.23810	1.0
313.25488	1.0
315.26813	0.9
323.27374	1.5
325.28824	4.8
337.28821	1.9
341.28384	1.4
343.29980	1.4
367.30002	1.7
421.34683	3.3
439.35715	1.7
457.37173	2.2
498.39444	100.0
499.39719	1.0
524.91205	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.01865	1.6
55.05511	6.7
57.03445	7.7
57.07062	4.1
59.04711	1.3
59.05003	22.2
60.04536	1.3
61.02915	2.8
65.03951	0.9
67.05505	31.0
69.03440	5.7
69.03748	1.1
69.07071	16.1
69.07439	0.8
69.18777	1.1
69.19126	10.4
71.05005	8.4
71.08626	2.0
73.02901	1.3
73.06551	4.1
77.06029	2.1
79.05493	10.1
81.03408	2.8
81.07058	51.6
83.04978	3.1
83.08620	6.4
85.02899	7.9
85.06548	7.0
87.00816	2.2
87.04463	4.1
91.05476	10.2
93.07042	20.1
95.04974	2.8
95.08611	8.4
97.02879	4.1
97.06539	7.4
97.10166	0.9
99.04433	2.6
99.08073	3.2
103.76501	1.0
104.21404	0.9
105.05527	7.3
105.07008	6.4
107.08602	8.5
108.04463	3.7
109.02887	2.0
109.06478	1.1
109.10146	4.2
111.08071	2.5
111.11712	12.0
117.07012	4.9
119.08555	2.8
121.06477	1.5
121.10142	3.9
122.06014	1.1
123.11690	7.6
124.07579	2.8
125.09584	1.4
127.03903	4.4
127.11185	1.4
129.11856	2.0
129.12758	27.3
130.05003	1.2
131.08562	5.5
133.10144	9.2
135.11748	4.9
140.07028	1.1
143.08582	1.3
145.04961	1.8
145.10127	1.4
146.05981	3.3
147.11739	1.1
148.07538	1.0
149.13263	10.6
151.11177	5.9
155.08482	1.0
157.10081	1.5
159.10463	1.5
159.11696	21.1
161.13237	2.6
166.04944	1.2
168.06548	4.0
169.12212	2.2
172.03859	1.2
174.05501	1.3
177.12749	28.4
179.14262	7.7
183.11667	1.4
187.13290	6.2
189.09029	1.0
195.13815	5.1
197.13226	3.7
204.06540	2.1
206.08124	2.9
210.07884	1.1
211.08722	5.0
212.09306	1.2
215.14502	1.9
215.16444	2.8
222.09081	2.2
225.10204	4.4
233.17444	2.1
239.11850	7.5
240.08824	1.5
241.09642	1.2
243.13426	1.8
243.15921	34.6
249.10320	1.2
250.08685	1.5
250.15230	2.6
251.08055	1.1
251.16447	10.2
251.37163	1.0
252.09032	1.6
253.09657	5.6
267.07578	1.2
267.08530	1.2
267.11279	9.3
269.17484	100.0
283.10767	1.8
284.11539	1.0
285.12280	1.6
295.10727	6.1
297.12299	3.9
299.10330	1.5
301.14600	1.3
301.20096	18.6
313.11826	32.1
323.10202	3.0
324.10715	1.4
341.11340	16.4
341.15140	0.8
342.11688	1.3
355.12839	1.8
359.12253	1.5
373.13950	67.3
420.18668	1.1
445.24289	8.1
448.18777	1.5
449.16800	1.0
466.19870	6.1
480.20920	1.4
498.21768	5.5
499.22556	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14679	1.6
53.03944	5.4
54.07032	1.8
55.01873	9.1
55.05505	7.2
57.03431	8.4
57.07082	8.6
59.05003	40.8
61.02917	5.6
67.05521	3.4
68.99783	2.2
69.03426	30.6
69.07073	33.6
69.46742	12.1
71.05003	4.3
71.08638	4.1
73.02923	4.4
73.06556	7.4
77.06046	3.0
81.03418	23.6
81.07060	4.6
85.02909	72.9
87.00829	44.3
87.04474	6.3
97.02893	42.6
97.06524	2.4
99.04465	13.8
105.01866	63.2
105.05507	16.8
108.04446	1.8
109.02882	26.0
111.11729	38.5
117.01872	2.0
127.03921	64.3
127.11189	3.1
129.12759	100.0
145.04977	25.4
147.02875	3.2
159.02911	10.9
168.06566	2.6
189.04045	2.2
213.03851	3.3
213.12726	2.4
215.16460	4.9
231.05028	28.3
233.17519	3.8
239.11879	4.1
243.15947	3.5
249.06102	11.8
253.09685	4.4
267.11325	4.3
269.17447	6.3
295.10760	3.3
313.11795	20.1
333.61215	2.2
341.11322	10.5
359.16931	5.5
373.13947	43.9
377.18237	1.8
466.19955	3.4
480.21646	2.3
498.21933	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	498.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
67.05509	1.3
72.07341	1.0
79.05495	3.3
81.07056	1.3
88.70964	1.0
91.05478	4.9
93.07078	1.8
94.04201	2.3
95.04992	1.6
103.05470	3.0
105.03409	3.8
105.04553	1.0
105.07032	7.1
107.04974	3.9
107.08611	1.2
108.05763	2.7
109.06511	1.5
115.05493	1.1
117.07037	3.0
119.08601	1.4
121.06509	7.1
122.03664	6.3
129.07089	1.4
131.04935	5.0
131.08592	1.7
133.06502	25.2
135.08083	2.9
136.05202	6.0
137.05989	100.0
143.08633	2.3
145.06503	2.8
146.07242	5.4
147.08047	12.5
150.06773	2.9
151.07556	93.6
157.06467	1.7
159.08046	2.3
161.09666	1.5
163.07570	10.9
165.09113	9.9
171.08116	1.8
174.06825	1.8
175.07530	3.5
176.08315	1.2
177.09129	26.9
188.08351	2.3
189.09100	3.7
191.10760	2.1
201.09009	1.3
202.09924	1.4
203.10655	5.7
217.12259	2.4
249.13066	1.0
262.09808	1.2
288.31677	1.0
309.14850	16.4
326.15167	9.3
341.17520	34.9
359.18527	1.4
438.20590	1.6
498.21957	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34712	0.2
53.03944	0.8
55.05513	0.8
57.03426	0.2
67.05492	0.2
67.91586	0.2
68.05034	0.5
69.03402	0.3
69.07045	0.2
69.48534	0.7
69.48960	0.8
69.60356	0.2
70.06594	0.6
71.05664	0.2
79.05066	0.4
79.05495	5.4
80.05014	2.4
80.71308	0.2
81.03418	0.3
81.05802	6.3
81.07064	3.2
82.06593	0.5
85.02906	0.6
91.05462	0.4
91.80531	0.2
93.07055	0.5
94.06570	1.3
95.04976	0.7
96.04523	0.5
96.08138	19.0
97.02886	0.2
105.04507	0.4
105.07027	0.3
106.06566	3.1
107.04972	1.3
107.08592	2.6
109.05247	0.4
116.07071	0.4
121.02890	0.3
121.10152	1.0
123.08085	0.6
124.07597	100.0
125.07946	0.6
126.09198	0.4
131.08592	0.4
135.08121	0.5
139.03917	0.6
149.09633	6.8
163.03906	0.3
165.60368	0.2
177.09128	3.2
195.10172	12.6
201.10123	0.2
213.11247	3.7
217.87869	0.3
229.52504	0.3
241.05988	0.3
274.13123	0.2
286.12842	1.8
303.13007	0.5
316.10471	0.3
316.13727	1.2
317.14548	0.9
334.11301	0.6
465.18338	2.7
498.17688	1.0
498.24365	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.05267	0.8
55.05516	12.4
60.08165	0.8
60.88429	0.4
63.64825	0.4
67.05508	1.8
69.03426	1.2
69.07072	1.9
79.05502	2.5
81.07054	4.7
83.04988	100.0
83.08636	1.0
85.83845	0.5
86.09719	2.1
87.10043	0.6
88.72282	0.5
88.83254	0.4
91.05490	2.6
93.07043	4.1
95.04986	0.4
95.08605	5.5
97.06554	0.4
98.34172	0.4
101.30227	0.5
104.10737	4.7
105.07047	5.6
105.11088	0.9
107.08604	7.8
107.09303	0.7
109.06542	0.7
109.10159	4.9
111.08108	1.0
117.07056	0.7
119.08587	8.3
121.10156	4.7
123.11736	2.5
125.00043	1.4
125.09657	5.6
128.06209	0.6
131.08597	2.1
133.10147	5.7
135.11713	6.2
137.13300	0.8
142.07805	0.5
143.08580	1.5
144.09413	0.9
145.10139	4.1
147.11700	3.7
149.09630	12.1
149.13307	1.9
151.59015	0.4
155.08595	1.0
156.09476	0.4
157.10175	2.7
159.11694	5.1
161.13277	4.8
163.11247	0.7
163.14903	0.5
165.12798	0.9
169.10150	1.5
170.10995	0.5
171.11696	2.5
173.13269	3.3
175.11203	0.8
175.14821	4.9
177.12788	3.9
177.16391	0.6
183.11798	1.5
184.07364	4.2
185.07799	1.2
185.13225	3.2
187.14813	3.7
189.12843	0.6
189.16397	4.4
191.14349	0.8
195.11765	0.8
197.13318	1.2
199.14873	2.9
201.16513	1.9
209.13382	0.6
210.14133	0.5
211.14847	1.5
213.16425	1.8
215.14362	0.6
215.17986	0.8
217.19894	0.4
223.14969	0.8
225.16479	1.1
226.17212	0.5
227.18039	2.0
229.19614	1.2
231.17401	2.3
239.17972	1.1
241.19604	1.7
243.21167	0.5
245.19099	0.5
253.19595	0.9
255.21205	1.2
257.22684	0.7
259.20651	0.8
263.20203	0.8
267.21225	0.8
281.22610	0.7
283.20755	0.7
285.22174	0.9
293.22629	0.5
295.24271	0.7
313.25134	1.0
321.25797	1.2
323.27524	2.0
325.25372	0.6
337.25378	0.4
337.28961	7.4
339.26807	3.0
341.28439	5.3
343.26724	0.5
350.26199	0.6
353.28552	1.0
401.32443	1.0
419.33121	8.0
437.34204	28.3
479.34308	1.0
497.34723	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	497.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
55.05499	2.5
57.07076	1.2
60.66153	0.7
67.05498	3.2
69.03428	2.2
69.07061	2.3
71.55460	0.9
79.05494	2.2
81.03416	4.0
81.07056	3.7
83.04981	1.2
85.16618	0.8
91.05486	3.1
93.07064	3.5
95.04967	3.1
95.08607	4.2
100.04957	0.7
105.07034	4.0
107.04928	0.7
107.08596	4.4
109.06539	1.7
109.10181	6.5
110.77277	0.7
115.05466	1.2
117.07004	1.5
119.08576	5.4
121.06516	0.9
121.10170	3.9
123.08114	1.0
123.11687	0.9
128.06290	0.8
128.89485	0.6
129.07002	1.6
131.04924	3.5
131.08580	4.3
133.06511	0.8
133.10147	6.2
135.08084	1.7
135.11711	1.7
141.06917	0.8
142.07762	1.7
143.08542	4.6
145.06419	0.8
145.10129	5.0
147.08037	3.0
147.11655	2.5
153.06917	0.8
155.08586	1.5
157.10164	5.1
159.08058	2.4
159.11705	4.3
161.09622	5.1
163.11145	1.1
169.10114	3.5
170.10902	0.7
171.11681	3.7
173.09615	5.6
173.13239	2.6
175.11174	2.9
175.14760	1.2
181.10088	1.4
182.10883	1.1
183.11649	4.3
184.12523	0.8
185.09700	1.1
185.13292	6.8
187.11118	0.7
187.14841	2.0
189.16417	1.3
195.11732	2.5
196.12613	1.8
197.13257	4.6
198.14149	0.9
199.14859	4.8
201.12842	1.0
201.16367	2.5
207.11771	0.7
209.13216	4.0
211.14830	2.1
213.16376	1.3
217.15939	2.9
219.17471	1.1
223.14806	2.5
224.15611	1.4
225.12764	1.1
225.16402	4.4
227.17966	3.1
232.88567	0.6
237.16411	1.7
239.18018	6.5
240.18654	0.9
251.17923	1.1
253.15848	2.7
253.19583	3.1
263.18024	0.9
265.15787	0.9
265.19492	1.3
267.17474	2.8
267.21097	2.4
276.27158	0.7
277.15750	1.1
279.21008	1.2
291.17557	2.6
293.22675	2.1
303.17120	1.0
305.19189	1.0
311.23788	1.1
318.19879	1.4
319.20660	2.1
329.24655	0.8
331.20587	2.4
333.22034	0.9
343.24179	1.1
346.23016	2.0
361.25278	100.0
362.25568	1.2
379.26343	10.8
397.27328	2.3
497.37668	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01867	3.4
55.05515	4.9
57.03434	6.6
61.02919	11.4
65.22998	2.8
67.05508	14.0
69.03431	18.8
69.07050	5.2
71.04959	4.1
71.56263	4.4
79.05496	14.8
81.03410	12.3
81.07059	33.8
83.04989	4.6
83.08613	6.6
85.02908	100.0
91.03984	4.6
91.05475	10.8
93.07047	20.0
95.04966	7.0
95.08598	13.2
97.02886	21.3
97.06543	4.2
105.07020	18.2
107.08606	23.3
109.02860	9.9
109.06496	16.4
109.10165	12.9
111.08101	4.3
115.05516	3.0
117.07016	6.6
119.08580	21.0
121.06470	4.9
121.10162	20.0
123.08064	4.9
123.11739	4.8
127.03942	24.3
129.07004	4.4
131.04950	4.2
131.08566	9.8
133.06435	5.7
133.10136	14.9
135.08148	7.8
135.11708	19.4
137.05965	7.2
137.09633	3.7
141.07039	3.7
143.08549	6.3
145.04955	32.6
145.06116	4.1
145.06468	4.1
145.10118	10.7
147.08023	6.0
147.11703	7.0
149.09593	6.7
151.11162	6.9
155.08553	4.3
156.25401	3.0
157.10129	12.1
159.08105	3.6
159.11717	10.7
161.09642	5.3
161.13293	7.7
163.06000	5.5
163.11247	4.2
163.14815	5.8
169.10126	5.4
171.11610	14.1
173.09709	6.0
173.13272	9.6
179.14296	6.3
181.08615	4.1
183.08066	4.0
183.11592	6.4
185.13283	10.2
187.14740	5.7
189.16362	5.9
199.11240	3.5
213.12738	6.5
215.17929	9.6
227.17880	8.4
229.12346	3.0
231.13824	3.6
273.22144	62.4
281.22717	16.6
299.23685	62.9
313.51355	3.0
317.24734	9.2
331.16937	3.5
345.18658	4.8
373.17838	6.4
391.19171	5.2
395.01694	3.4
419.18405	13.1
437.19437	14.6
479.20981	4.4
479.29742	3.8
497.21280	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	497.3109
Annotation	Rapisterone D
Peak:m/z	Relative Intensity
55.01884	3.0
55.05508	7.6
67.05514	17.1
69.03429	7.8
69.07059	4.9
69.93283	5.0
69.93670	8.1
71.05007	3.6
79.05495	11.3
81.03448	3.3
81.07062	22.0
83.04999	4.5
83.08618	2.5
85.02925	23.5
91.05496	11.5
93.07060	18.0
95.04985	7.5
95.08620	75.3
97.02926	5.1
97.06525	3.2
98.20803	2.5
105.07050	17.2
107.08599	16.1
109.02892	2.5
109.06512	4.0
109.10156	10.1
111.08090	2.8
117.07043	5.1
119.08574	19.0
121.06490	3.7
121.10147	17.4
123.08064	8.5
123.11691	2.6
125.06081	2.1
127.03919	6.7
131.04926	2.9
131.08586	9.3
133.06526	7.1
133.10103	16.8
135.08073	4.4
135.11713	8.4
135.74156	2.4
137.09647	3.1
143.08560	4.2
145.05020	2.8
145.06479	5.0
145.10143	9.9
147.08078	4.7
147.11674	5.5
149.09628	4.9
149.13280	6.7
151.07677	2.8
155.08566	5.7
156.09390	2.7
157.10175	5.8
159.08078	4.9
159.11662	8.4
161.05980	5.6
161.09589	3.1
161.13338	6.0
163.06036	2.1
163.07576	3.3
163.11125	3.4
163.14848	3.3
165.09192	2.6
167.17877	2.3
169.10106	2.6
171.08113	4.6
171.11681	7.0
173.09660	4.3
173.13258	4.8
175.14886	4.4
177.16408	3.9
179.08566	2.4
183.08080	3.6
183.11699	3.7
185.09586	4.1
185.13297	7.1
187.14809	3.2
189.16380	18.1
198.10393	4.3
199.11247	6.5
199.14883	3.1
201.16377	5.5
203.14333	5.6
211.11259	3.0
213.09161	3.0
213.12750	9.6
217.15958	4.3
219.17490	8.1
221.13338	2.3
231.17392	5.1
241.19589	4.3
247.11313	2.7
249.18312	2.7
255.21152	5.1
261.12680	2.5
273.22046	11.5
281.22729	8.5
299.23697	100.0
317.24805	13.7
319.17184	2.6
326.17010	2.3
359.16272	2.8
373.17987	2.7
391.19150	3.2
406.78543	2.6
419.18417	4.3
437.19772	4.9
454.90201	2.4
465.15237	3.0
479.16669	6.6
497.21887	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	497.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50518	1.4
51.92873	1.5
53.03948	1.9
55.01875	1.6
55.05506	6.3
57.03437	2.7
58.11544	1.4
61.02936	2.7
67.05509	14.4
69.03423	7.0
69.07070	8.3
71.55656	1.9
79.05486	17.1
81.03399	4.7
81.07063	37.2
83.04973	3.9
83.08621	3.1
85.02900	21.1
89.16543	1.5
91.05476	19.1
93.07048	26.2
94.59750	1.8
95.04953	5.0
95.08617	14.8
97.02909	7.6
97.06528	4.0
103.05441	2.8
105.07030	27.6
107.04952	5.1
107.08591	30.9
109.02879	2.6
109.06507	6.4
109.10147	21.3
111.08102	1.9
115.05447	3.5
117.07006	9.7
119.08585	26.0
121.06485	2.8
121.10155	18.9
123.08063	2.2
123.11716	6.7
127.03896	4.6
129.07013	6.1
130.07780	3.1
131.04959	2.5
131.08588	13.7
133.06483	5.8
133.10141	37.0
135.08051	6.7
135.11694	40.4
137.05998	1.9
137.09583	3.3
142.07777	2.4
142.45663	1.5
143.08578	10.7
144.09256	2.1
145.04961	2.8
145.06519	3.8
145.10132	15.1
147.08025	7.4
147.11710	15.7
149.09618	3.6
149.13257	5.9
151.11192	39.0
153.07040	2.5
155.08578	3.0
156.09399	5.1
157.06519	1.7
157.10129	13.1
158.07230	1.9
159.08051	7.8
159.11687	12.6
161.05875	3.2
161.09625	4.6
161.13249	20.0
163.07494	2.4
163.11172	14.0
163.14833	3.9
165.06963	2.6
165.12761	2.0
169.10123	5.9
170.10930	1.8
171.08005	4.0
171.11668	12.0
173.05862	1.9
173.09628	6.7
173.13271	7.0
175.07562	3.5
175.11186	2.7
175.14807	2.8
175.45393	1.7
177.05388	2.2
177.09134	1.7
177.12744	6.1
179.14316	2.6
181.10136	3.9
183.08023	2.0
183.11667	7.8
185.09647	4.4
185.13290	8.5
187.11093	2.5
187.14798	5.2
189.12801	2.7
189.16316	2.0
191.10735	2.0
191.14326	5.2
195.11693	3.5
197.09599	3.2
197.13298	2.5
198.10387	2.7
199.07487	2.3
199.11179	8.3
199.14854	3.9
201.09126	2.9
201.12677	2.3
201.16438	1.6
203.14310	4.5
207.11923	2.0
209.09543	3.2
211.11197	4.8
211.14944	2.0
213.12776	12.0
213.16438	2.0
215.10641	1.8
215.17963	19.9
217.08499	2.3
217.15900	4.6
221.13364	2.7
223.11240	2.4
225.16351	4.2
227.10800	1.8
227.17982	9.4
233.19054	3.7
237.12752	1.7
243.11652	2.3
244.12584	2.0
259.13303	4.8
261.12689	2.5
271.15347	2.0
277.15778	1.7
281.22684	31.5
299.23697	100.0
317.15485	1.9
317.24799	40.0
331.16904	3.4
345.18484	3.7
359.16437	4.8
373.17886	5.9
377.17444	3.6
383.16461	2.7
391.19012	6.9
395.18616	2.1
401.17499	8.6
409.19760	2.9
419.18405	13.7
428.75851	1.8
437.19510	15.4
479.20450	4.3
490.99371	1.8
497.21109	18.6
497.27338	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	497.311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01566	2.6
51.02399	3.1
53.03938	13.8
55.01864	11.9
55.05516	22.7
55.45846	2.6
57.03441	37.4
61.02930	75.7
65.03928	6.7
67.05508	100.0
68.61504	2.5
69.03082	4.1
69.03434	62.9
69.07073	19.7
69.23266	25.2
71.01348	9.2
71.05006	13.7
72.36470	2.5
73.02926	34.8
73.27248	2.5
74.35295	2.5
77.48018	2.6
78.68208	2.3
79.05500	60.4
81.02972	4.3
81.03419	48.9
81.07059	96.3
83.04967	8.9
83.08606	10.4
85.02910	74.8
87.04449	7.1
91.03967	41.4
91.05485	41.9
91.63913	2.5
93.07050	78.2
93.90536	2.1
95.04987	13.0
95.08612	85.2
97.02899	70.7
97.06532	6.7
97.10144	3.5
99.04444	17.4
101.02383	13.7
103.03951	20.3
105.07033	44.2
107.04949	7.5
107.08599	39.4
109.02887	23.2
109.06506	9.0
109.09540	3.2
109.10179	28.4
110.11401	2.3
111.04436	3.8
115.03924	7.6
115.05437	6.2
117.05550	3.5
117.07024	20.9
119.04945	4.4
119.08591	37.5
121.06491	5.3
121.10145	37.4
123.11713	19.0
123.83143	2.7
125.09633	3.5
127.03922	32.8
128.06183	5.1
129.05492	5.5
129.06975	13.4
130.07802	2.5
131.08580	28.6
133.06497	5.4
133.10133	24.8
135.08083	4.7
135.11708	26.5
137.13205	3.6
143.08601	14.3
145.04941	10.8
145.06491	6.2
145.10139	25.4
147.08063	22.2
147.11693	15.4
149.09599	6.3
149.13272	14.6
155.08479	6.3
157.10188	15.9
159.08060	22.0
159.11700	20.2
161.09634	23.5
161.13258	8.3
163.07544	33.9
163.11195	7.0
163.14856	5.0
169.10115	7.5
170.10910	4.8
171.06636	3.5
171.08113	5.6
171.11697	16.6
173.09598	9.7
173.13266	17.0
175.11194	3.8
177.12773	3.1
177.16354	2.7
181.10178	3.8
183.06535	10.5
183.11693	16.4
185.09624	8.9
185.13242	20.1
187.11182	6.3
187.14815	9.5
189.09062	2.9
189.71773	2.8
191.14349	3.2
193.97128	2.6
195.11746	5.2
195.13696	3.2
197.13274	8.5
199.11214	7.1
199.14857	4.8
201.07549	6.3
201.09200	6.1
201.12732	5.7
201.16295	5.6
203.10666	3.2
207.11691	4.3
211.11162	4.9
213.09024	2.5
213.12770	18.4
217.15826	4.7
223.11043	3.2
223.14925	2.7
231.13863	4.1
237.16434	3.0
241.12260	4.7
243.21089	6.7
243.23433	3.0
245.15414	3.7
251.14107	3.0
259.13263	3.8
259.20627	6.0
261.22192	26.5
265.19644	4.7
273.14963	6.8
275.14090	2.8
315.17514	3.1
317.18896	3.6
327.17603	3.2
335.25812	81.4
341.19141	3.3
351.23206	3.6
359.23700	17.6
363.24893	3.0
377.24887	7.4
401.21152	3.7
405.26318	6.6
419.21854	5.6
437.23297	4.8
461.29404	3.5
479.29861	5.7
497.24792	19.5
497.31360	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	497.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01883	10.9
55.05505	8.5
57.07072	3.8
60.29305	1.9
67.05502	7.3
67.41467	2.1
69.03452	5.5
69.07069	5.4
71.55566	1.9
79.05502	8.2
81.03413	8.9
81.07055	8.8
83.05014	2.6
83.08604	5.7
83.50359	2.2
86.09714	4.6
91.05472	16.7
93.07061	11.8
95.04956	6.8
95.08616	12.2
97.10181	2.9
105.07050	15.4
107.04990	3.2
107.08599	7.9
107.82092	1.9
109.06531	2.1
109.10194	5.2
113.06721	2.2
117.07010	8.4
119.08588	21.4
120.06207	2.1
121.06532	4.4
121.10155	10.5
125.00024	3.3
128.06216	3.5
129.07011	8.0
131.08565	14.2
133.10175	14.7
135.08063	2.6
135.11688	4.1
141.07018	4.1
142.07683	2.4
143.08574	9.8
145.06512	8.2
145.10179	18.3
147.08063	45.9
147.11713	6.1
155.08566	4.0
157.10156	9.1
158.07246	2.1
159.08092	8.4
159.11705	11.9
161.09668	17.2
161.13274	6.4
165.07059	4.4
166.07785	2.5
167.08583	4.4
169.10182	8.3
171.08073	4.3
171.11700	8.7
173.09639	8.5
173.13211	5.2
175.07608	3.4
178.07901	2.8
179.08582	3.9
181.10121	6.4
182.10863	2.7
183.11714	7.8
184.07323	16.4
185.07814	3.7
185.09547	3.8
185.13281	6.9
187.07594	4.9
187.11235	3.2
187.14827	14.3
193.10211	5.2
194.10905	3.1
195.11714	7.4
196.12387	2.4
197.09688	3.9
197.13298	5.2
199.11201	2.7
201.16548	4.3
205.10219	5.1
205.15932	4.0
206.10852	4.9
207.11761	3.9
208.12578	2.2
209.09729	4.1
209.13293	3.6
211.11076	2.5
211.14871	2.9
213.72800	2.3
215.14258	3.6
217.10292	2.8
219.11786	3.4
220.12415	2.7
221.13260	4.8
223.11220	18.5
223.14828	3.5
225.12880	4.2
229.10164	4.1
231.11713	6.5
233.13275	4.7
233.15433	20.7
234.13980	3.1
235.11101	4.6
235.14857	3.3
237.12784	9.4
239.10739	4.9
242.54558	2.2
245.13327	5.0
246.10497	3.0
247.11185	2.9
248.11958	3.0
249.12721	15.8
253.15707	2.5
255.11722	2.4
259.11295	6.8
261.12769	5.5
262.13678	2.9
263.14404	17.0
265.15891	5.8
267.17581	2.5
271.14783	2.7
272.12091	2.2
273.12881	5.2
275.14417	3.1
277.15909	3.3
284.11951	2.5
287.14435	10.7
289.15970	3.9
289.19144	2.5
299.14343	6.7
300.15256	3.0
301.15967	3.5
313.15729	4.1
314.16632	3.6
315.17468	4.7
327.17538	8.0
328.18185	3.8
329.19193	2.7
331.20227	2.6
332.21432	3.5
342.19809	9.1
347.23688	8.4
357.22171	97.2
359.23376	4.1
375.23254	100.0
376.23529	2.6
377.24802	7.4
393.24271	72.9
395.11951	2.8
411.25034	3.6
479.27911	20.0
497.28943	6.5
497.35925	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	497.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97794	1.8
53.03960	1.9
54.73018	1.8
55.01875	8.1
55.05516	7.1
56.46185	1.8
57.03434	3.7
57.07051	2.1
61.02931	3.2
64.84760	1.9
65.03956	2.3
67.05511	17.7
69.03431	18.4
69.07079	8.7
69.31279	13.8
71.04984	3.5
73.02921	2.5
79.05498	19.0
81.03427	25.6
81.07066	26.9
83.04988	6.3
83.08624	2.5
85.02921	3.9
85.06535	2.3
91.03963	3.8
91.05492	27.8
93.07056	25.8
95.04989	24.4
95.08622	16.5
97.06532	8.2
103.05534	3.0
105.07037	30.5
107.04985	8.1
107.08594	28.5
109.06544	10.2
109.10158	10.7
111.08137	4.1
113.18297	1.8
115.05466	6.3
116.06282	2.3
117.07016	11.6
119.05006	2.5
119.07793	3.4
119.08594	33.7
121.06507	8.7
121.10157	14.2
123.08091	5.6
123.11710	3.1
128.06277	5.4
129.07019	9.3
131.04930	2.5
131.08556	20.1
133.06506	6.5
133.10127	21.3
135.08034	9.5
135.11684	2.8
137.09593	2.3
141.06972	4.0
142.05334	1.8
142.07814	7.9
143.08572	23.3
145.06509	7.1
145.10138	28.7
147.08061	23.6
147.11690	9.0
149.09639	7.8
151.11295	2.2
153.07043	3.0
153.09164	4.0
154.07706	2.2
155.08527	11.1
156.09366	9.1
157.10135	26.5
158.07346	2.4
159.08089	21.7
159.11716	14.1
161.06017	6.4
161.09636	36.0
161.13335	2.9
163.07518	10.4
165.06998	5.0
167.08586	5.3
168.09366	4.1
169.10133	18.6
170.10913	7.5
171.08086	6.2
171.11714	28.7
172.08771	2.4
173.09637	23.5
173.13281	13.2
175.07550	3.5
175.11180	11.5
177.12672	2.7
179.08546	5.9
180.09358	5.5
181.10060	10.3
182.10956	5.4
183.08160	2.9
183.11691	19.4
185.09673	5.8
185.13246	17.9
187.11188	10.2
187.14850	6.7
189.12781	4.2
192.09271	2.3
193.10094	10.1
194.10918	5.8
195.11740	16.7
196.12514	4.1
197.09608	4.5
197.13246	16.2
199.11217	15.7
199.14929	2.5
201.12796	8.5
203.14302	4.2
205.10220	4.3
206.10957	3.5
207.11726	9.6
208.12589	4.4
209.09561	3.1
209.13272	14.1
211.11209	7.7
211.14864	8.1
213.12759	25.5
213.16170	2.0
215.14433	9.2
217.10277	3.3
217.12222	4.6
219.11674	5.2
219.13762	2.0
221.13324	11.7
222.13969	2.9
223.11363	4.2
223.14845	20.9
225.12727	5.1
225.16440	3.1
227.14334	6.0
230.10959	3.0
231.11778	3.3
231.13782	16.3
233.13242	7.3
233.15399	3.8
234.14095	3.5
235.11224	2.0
235.14871	7.8
237.12764	5.9
237.16443	7.6
239.10800	2.3
239.14330	4.9
239.17967	3.6
241.12270	3.6
243.13747	3.6
245.15431	4.7
247.11191	3.3
247.14900	2.6
248.15637	2.9
249.12616	3.2
249.14725	3.3
249.16827	2.4
251.14400	3.5
251.17999	4.5
253.15921	5.2
253.19615	4.0
259.13348	2.5
260.15912	2.2
261.12646	3.5
261.16559	3.0
261.22409	2.2
262.13412	3.1
263.14301	2.3
263.18015	6.9
265.15903	4.5
266.57022	1.9
267.17514	7.1
275.14322	2.9
277.15823	8.8
279.17456	6.8
279.20660	1.9
281.18973	4.7
287.14365	2.9
287.17572	2.1
289.16077	3.0
289.19440	3.9
291.17465	6.1
293.19168	3.2
295.16989	2.6
303.17603	2.4
305.19016	3.6
307.20416	4.7
315.17484	3.4
317.18985	22.6
319.16907	2.0
321.22211	10.6
323.20221	2.1
325.17831	3.6
325.21259	2.3
331.20657	13.0
333.18436	7.8
333.22192	3.4
335.25833	3.9
345.18484	3.7
345.22189	10.9
347.23648	10.7
349.21713	8.3
357.22171	20.0
363.23236	5.2
365.24753	4.2
374.27731	1.9
375.23221	76.6
393.24265	100.0
411.25308	22.9
419.22034	5.3
437.22937	3.9
461.26645	3.3
479.28052	7.6
497.24271	4.8
497.29526	11.6
497.36676	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	497.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.7
50.63133	0.4
51.02374	0.7
51.77856	0.5
53.03935	2.2
55.01877	20.5
55.05518	4.5
57.03417	0.8
59.04982	0.5
61.02911	1.7
63.05551	0.5
65.03919	1.8
67.05508	9.7
69.03433	7.1
69.07072	5.1
71.04993	1.0
73.02867	0.6
73.06546	1.1
77.03918	1.1
79.05067	0.7
79.05498	10.7
81.02975	0.8
81.03419	11.8
81.07063	10.7
83.04992	4.3
83.08602	0.9
85.02906	0.7
85.06535	1.3
89.03890	0.5
91.05486	36.5
93.03407	0.6
93.06467	0.8
93.07048	14.7
95.01328	1.6
95.04974	14.4
95.08050	0.6
95.08615	9.9
97.02913	1.1
97.06541	4.2
99.04501	0.6
99.08099	0.8
103.05469	4.4
104.06191	0.9
105.04545	0.9
105.07039	24.6
107.04961	6.7
107.08598	12.5
109.06527	12.3
109.10163	4.9
110.52236	0.5
111.04425	0.6
111.08107	1.2
113.05995	1.1
115.03927	0.4
115.05450	10.7
115.07563	1.9
116.06252	4.7
117.07027	22.9
118.07821	0.5
119.04944	2.0
119.08590	38.6
121.02838	0.5
121.06516	6.3
121.09407	0.6
121.10152	5.9
123.08095	3.8
123.11652	0.6
125.05975	0.7
127.07591	0.7
128.06224	9.9
128.07126	0.8
129.06004	0.8
129.07010	26.7
130.07814	3.1
131.04962	2.7
131.08575	29.4
132.05675	2.6
133.06496	5.5
133.10139	20.6
135.08073	7.5
135.11705	0.8
137.06029	0.6
137.09618	5.0
141.07001	6.3
142.07803	9.0
143.08571	23.2
144.05687	4.4
144.09343	1.8
145.06496	20.3
145.10135	19.7
146.07253	3.1
147.08054	90.4
147.11673	3.8
149.05994	0.6
149.09631	7.7
151.07587	0.7
151.11194	1.0
152.06223	0.8
153.06987	3.0
153.09088	0.6
154.07780	2.0
155.06017	1.2
155.08556	9.0
156.09354	14.2
156.10568	1.0
157.06569	2.8
157.10138	33.4
158.07286	3.5
158.10876	1.1
159.08061	75.3
159.11665	11.7
160.08801	0.8
161.09631	56.7
161.13257	1.4
163.07550	7.6
163.11208	4.5
165.07005	4.9
165.09070	3.0
166.07864	2.4
167.07193	0.7
167.08559	4.7
167.10690	1.0
168.05756	0.6
168.09308	2.9
169.06438	1.1
169.07787	1.0
169.10135	15.0
170.07306	1.2
170.10924	9.8
171.04408	0.5
171.08066	12.4
171.11700	50.3
172.08905	2.6
172.12263	0.9
173.05991	8.2
173.09630	25.9
173.13272	5.4
175.07536	5.6
175.11148	3.5
175.14827	0.6
177.09111	1.8
178.07773	1.8
179.08504	3.8
179.10712	3.5
180.09331	3.0
181.06517	1.6
181.08560	1.1
181.10081	6.4
182.07265	2.1
182.10916	1.9
183.08098	5.3
183.11705	21.5
184.08788	3.3
184.12386	0.8
185.06010	1.5
185.09657	13.7
185.13261	36.2
186.10295	1.0
186.13702	0.6
187.07567	4.7
187.11200	13.4
187.14835	1.1
189.09154	4.1
189.12733	2.3
191.07043	0.7
191.08617	1.3
191.10689	3.1
192.09375	2.3
193.10150	5.4
193.12256	2.3
194.07278	0.7
194.10933	2.8
195.07986	2.8
195.11699	8.5
196.08847	1.8
196.12474	1.2
197.09621	10.2
197.13278	6.6
198.10408	3.8
199.07547	2.1
199.11197	23.9
200.11957	1.9
200.94528	0.6
201.09108	4.9
201.12732	5.8
202.07785	1.2
203.08563	1.9
203.10663	1.4
203.14362	2.2
204.09361	1.5
205.10159	2.6
205.12276	3.4
206.10934	2.9
207.08142	0.6
207.09984	0.8
207.11728	6.4
208.08881	1.2
208.12492	1.7
209.09691	5.4
209.11467	0.9
209.13268	4.0
210.10536	0.8
211.07700	0.5
211.11195	8.3
211.14763	0.6
212.11916	0.6
213.09198	2.9
213.12753	34.9
215.08600	2.0
215.10718	4.9
215.14212	1.2
216.09338	2.0
217.08376	0.7
217.10150	2.8
217.12277	6.2
218.10864	2.6
219.08208	0.9
219.09972	0.6
219.11723	3.8
219.13887	1.2
220.08893	1.2
220.12416	2.6
221.09691	3.5
221.13281	5.9
222.10370	2.1
222.13960	1.1
223.11212	7.4
223.14772	3.5
224.08443	0.6
224.12013	0.8
225.09244	2.6
225.12781	4.4
226.09883	1.1
227.10672	3.5
227.14249	0.9
229.10159	2.2
229.12312	4.9
230.11003	2.7
230.12959	0.5
231.10104	2.6
231.11751	3.4
231.13748	14.5
232.08881	1.1
232.12474	2.4
233.09615	2.1
233.11488	1.2
233.13644	3.8
233.15407	1.3
234.10435	1.7
234.14101	1.3
235.11182	5.1
235.14828	3.1
236.11946	1.3
237.09167	1.1
237.12746	7.7
237.16379	1.1
238.13509	0.7
239.08566	0.8
239.10667	4.4
239.14330	1.2
241.10043	0.9
241.12227	7.3
242.10930	1.3
243.11902	3.7
243.13762	4.1
244.08893	0.6
244.12401	2.3
245.09605	1.2
245.11256	3.9
245.13376	1.8
245.15395	19.2
246.10477	1.9
246.14018	1.9
247.11150	4.4
247.13185	1.8
247.14972	2.5
248.12054	2.7
248.15669	0.6
249.09160	0.8
249.10284	0.6
249.12714	5.0
249.16641	0.9
250.13573	1.1
251.10686	1.2
251.14423	4.6
253.10048	1.8
253.12338	2.4
254.10963	1.0
255.11711	1.9
255.14084	3.1
256.12372	2.4
257.09457	1.0
257.13449	4.1
257.15567	1.1
258.10501	1.9
258.14072	3.0
259.11072	3.5
259.13199	14.1
260.12012	2.1
260.15707	1.2
261.09213	1.1
261.12766	5.0
261.14865	1.2
262.10092	0.8
262.13507	1.9
263.10822	1.6
263.14307	5.3
263.16599	2.0
264.11151	0.5
264.14990	0.6
265.12238	2.1
265.15881	1.7
267.11523	1.0
267.13919	1.4
268.12540	2.2
269.09448	0.7
269.13223	3.6
269.15649	0.8
270.10629	0.9
270.14066	1.8
271.11044	3.3
271.15219	3.1
272.12082	2.2
272.15652	1.8
273.12619	2.8
273.14926	11.0
274.10428	0.5
274.13358	2.3
275.11020	1.1
275.14264	6.0
275.17065	0.7
276.11462	0.8
276.15121	0.9
277.12231	1.7
277.16342	2.4
279.13870	3.3
281.12921	0.8
281.15549	1.2
282.10315	0.7
282.14056	0.8
283.11304	2.3
283.14584	3.0
284.11963	2.2
284.15509	3.2
285.12762	5.5
285.16306	1.8
286.13571	3.5
286.16782	1.0
287.11139	0.9
287.14359	6.1
287.17719	1.1
288.11719	0.7
288.15106	2.1
289.12234	2.2
289.15866	4.4
290.13095	0.9
291.13794	1.3
291.16071	10.1
293.15381	1.6
295.11108	0.7
296.12057	1.6
296.15323	0.8
297.12601	5.4
297.15781	0.9
298.13589	2.7
298.17157	1.3
299.10764	1.3
299.14343	4.8
299.17822	1.6
300.11755	0.8
300.15121	3.7
301.12485	0.9
301.15909	8.3
301.19269	0.4
302.13388	0.8
302.16730	2.4
303.13809	2.6
303.17484	2.8
303.20874	0.7
305.15335	1.6
307.13297	0.6
307.16779	0.6
308.15656	0.8
309.15057	0.8
310.13443	0.8
311.14294	3.8
311.16974	1.7
312.11664	1.0
312.15039	4.6
313.12207	1.5
313.15948	4.2
313.19296	0.8
314.13077	1.2
314.16724	2.4
315.13831	1.4
315.17392	9.0
316.18344	1.2
317.11954	0.7
317.15387	2.2
317.19083	8.5
318.19586	1.1
319.16937	1.3
319.20499	0.6
321.15186	0.6
323.16583	2.1
325.12268	1.2
325.15906	1.5
326.13275	0.8
326.16571	2.9
327.13782	2.2
327.17514	11.1
328.14545	1.8
328.18317	3.0
329.15408	5.4
329.19113	5.3
330.15948	0.7
331.16891	2.8
331.20612	4.7
333.18155	1.5
335.16470	0.7
335.25787	0.8
337.16599	0.6
339.13892	1.8
339.17435	1.0
340.14563	1.4
341.15274	1.1
341.19031	10.9
342.16168	1.3
343.16995	2.2
345.14874	0.6
345.18515	9.7
346.19180	1.1
347.16434	1.8
347.20212	0.7
349.17987	0.7
351.17596	1.0
354.16144	1.2
357.18546	8.0
359.15875	1.0
359.20078	13.8
361.17969	2.2
361.21814	0.8
363.19650	3.1
369.18491	9.5
375.19556	6.4
377.17072	0.8
377.21219	4.9
387.19550	21.2
389.21054	8.4
391.22754	9.1
393.20505	3.0
395.22211	1.3
401.21133	12.0
405.20615	22.3
407.22208	6.1
409.23721	1.8
419.22195	35.6
423.21643	3.0
437.23254	27.0
447.21835	2.3
455.24435	1.5
461.23166	0.8
465.22708	22.8
479.24377	9.2
479.31366	1.9
497.25430	100.0
497.32397	7.4
498.25833	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3399
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05508	0.5
56.05035	1.1
57.03436	0.5
57.07080	3.3
58.06577	1.5
60.08168	16.6
62.14369	0.2
62.71484	0.3
63.43720	0.3
67.05493	0.8
69.07069	0.6
69.26788	0.6
69.27191	2.6
71.07380	5.9
71.08621	1.7
79.05478	0.4
81.03451	0.3
81.07050	1.5
83.08625	0.7
85.10180	0.8
86.09711	48.6
91.05460	0.3
95.08604	1.7
98.20756	0.4
98.98477	4.0
104.10751	100.0
105.06998	0.4
107.08643	0.4
109.10194	0.7
119.08649	0.3
125.00016	28.2
131.08574	0.3
133.68211	0.3
140.40607	0.3
145.84688	0.3
158.54453	0.3
163.01604	0.7
184.07350	93.3
228.18347	0.5
230.82030	0.3
258.11148	0.7
278.30795	0.3
313.27341	2.1
376.23483	0.5
419.25662	0.3
478.32935	9.2
496.34036	38.6
497.34381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.9
63.35636	0.7
65.03929	1.1
68.99798	7.0
69.03438	3.1
69.49276	0.7
69.49573	6.0
71.05015	1.3
78.50603	0.8
81.03434	3.7
83.05012	1.9
85.02922	2.4
91.05515	0.8
97.02901	7.9
99.04485	1.1
103.03970	3.1
108.04500	1.0
109.02908	2.7
111.04430	5.2
113.02417	1.2
121.02882	4.3
122.06084	1.5
127.03906	0.8
138.25497	0.8
139.03912	42.5
140.07149	1.4
148.07639	1.5
149.04480	1.6
157.04968	5.1
168.06644	2.6
173.04530	1.1
174.07941	1.8
178.08717	1.7
185.10786	1.8
186.07880	1.4
187.08611	3.8
188.01805	0.8
198.09256	1.6
199.08755	3.6
200.09482	1.3
201.10257	13.5
201.12003	1.1
202.11140	3.5
203.08282	0.9
204.06657	1.2
205.09781	0.8
213.06648	1.2
213.10342	2.3
214.11180	1.0
215.08240	9.0
215.11794	14.4
216.10522	1.2
216.12616	1.9
217.09837	1.7
219.07674	2.2
225.10222	1.5
226.08804	1.6
227.08276	2.8
227.12045	0.8
228.08855	1.0
229.09787	9.9
229.13503	2.7
230.10489	6.0
231.07700	1.2
233.09314	2.8
239.11877	1.1
241.06212	2.4
241.09724	4.5
242.10657	1.0
243.07747	1.2
243.11292	6.8
244.09537	0.8
245.09274	4.1
247.10886	2.4
255.07816	3.0
255.11327	6.8
256.08548	1.0
257.09375	2.4
257.12988	3.0
259.07275	1.8
259.10760	5.3
260.07938	1.4
261.08746	1.4
265.12030	1.6
269.09387	3.3
269.12949	2.0
271.07440	1.1
271.10947	2.6
273.08755	3.1
273.12555	3.2
274.13229	2.4
284.11798	1.1
285.12381	1.0
286.09656	1.3
287.10318	6.5
288.14767	1.5
289.11887	11.5
289.14777	1.0
291.09973	1.0
295.10632	1.1
297.08908	2.7
297.12537	2.5
299.10425	2.4
299.14127	4.9
301.12155	1.2
302.12619	36.4
307.12921	9.9
313.11829	2.0
315.09927	10.0
315.13596	37.9
316.10501	2.0
316.14178	35.2
317.11304	16.5
318.11993	1.9
330.12466	1.3
331.13052	3.5
332.10321	2.7
333.10852	31.3
341.11368	1.2
342.12210	0.8
357.10904	1.6
359.12347	6.8
373.14157	1.5
385.14117	1.6
401.13553	2.0
426.14548	1.0
446.16977	5.2
463.16986	1.4
464.17972	100.0
479.16660	1.2
497.18027	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	495.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
55.05505	11.4
57.07086	3.1
57.16059	2.0
65.03954	2.5
67.05507	29.3
69.03432	3.3
69.07059	16.3
71.04985	4.2
71.56068	3.0
72.28176	2.2
79.05495	18.6
81.07059	32.6
83.04990	9.2
83.08630	8.4
91.05482	20.8
93.07047	34.4
95.04970	6.6
95.08617	34.4
97.06548	2.3
97.10178	4.7
103.90109	1.9
104.10715	3.1
105.03423	2.6
105.07037	34.2
107.04901	3.0
107.08600	33.1
109.06499	3.0
109.10153	23.2
111.08093	4.9
117.07016	15.2
119.08580	37.7
121.06495	6.4
121.10153	25.8
123.08096	5.8
123.11704	5.1
125.09651	4.8
129.07025	8.6
130.07773	3.0
131.08559	25.5
133.06528	2.4
133.10130	24.9
135.08060	14.8
135.11659	13.7
137.09604	14.4
137.13208	2.9
141.07031	4.1
142.07784	3.6
143.08571	14.9
145.10124	42.9
147.08061	5.2
147.11693	14.0
149.09607	19.8
149.13283	5.9
151.11201	2.3
155.08582	9.3
157.10144	20.6
158.10818	2.7
159.08047	2.5
159.11700	44.7
161.09631	8.2
161.13269	8.4
163.11186	8.2
167.08646	2.7
169.10147	10.9
170.10822	2.9
171.08165	2.7
171.11699	15.2
173.09644	4.2
173.13292	15.1
175.11171	4.7
175.14845	6.5
177.12695	4.9
181.10068	4.6
182.10968	3.6
183.11671	10.9
184.32788	2.0
185.13272	11.2
187.11221	4.5
187.14864	7.8
189.12712	5.7
189.16386	6.3
191.17931	2.3
195.11711	6.0
195.13853	2.4
196.12428	3.1
197.13283	14.6
199.11269	2.3
199.14862	12.2
201.08899	2.2
201.12726	3.4
201.16402	16.7
203.14261	4.9
203.17943	3.2
205.15996	2.2
207.11652	4.0
209.13353	4.0
211.14879	6.1
213.12773	4.0
213.16429	6.4
215.14348	9.6
215.17970	7.6
217.15897	6.2
219.17436	43.7
219.19289	1.7
221.13361	3.5
223.14830	4.2
225.12872	2.2
225.16368	8.3
227.17819	2.6
229.15901	8.0
229.19449	2.4
231.17509	4.1
233.18999	4.9
235.14874	3.0
237.12479	2.0
237.16371	3.7
239.17891	3.3
241.15858	3.9
241.19615	3.2
243.17529	5.9
253.19533	3.2
255.17595	5.4
255.21062	6.2
257.19028	4.3
259.20593	3.9
263.17914	2.3
267.21100	4.4
269.17661	2.0
281.22641	3.1
283.20590	3.9
285.22083	20.1
299.23633	4.7
309.22183	4.4
321.22125	3.0
323.23755	10.1
335.23602	2.4
341.24609	3.5
359.23566	6.3
360.37704	2.5
361.25241	2.6
375.26816	2.2
377.24634	2.0
405.31421	13.9
417.31494	20.9
435.32611	100.0
436.33459	2.7
451.30750	4.2
453.33362	2.7
477.28140	4.2
495.35019	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	495.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05268	0.8
55.05516	11.7
67.05504	1.1
69.03426	0.9
69.07054	1.4
70.14351	1.9
74.58335	0.6
79.05489	0.9
81.07047	1.8
83.04982	100.0
85.59459	0.6
91.05471	1.4
93.07047	2.1
95.08601	2.3
105.07053	2.1
107.08604	3.5
108.07516	0.6
109.06572	0.9
109.10167	2.3
109.39567	0.6
117.07043	0.8
119.08598	3.7
121.10174	3.0
123.08098	1.4
123.11707	0.9
125.09644	3.4
131.08568	0.9
133.10143	3.0
135.11725	1.1
137.09645	0.6
139.11250	0.6
139.36641	0.7
143.08583	1.0
145.10115	1.6
147.11716	1.6
149.09636	8.7
149.13254	0.7
151.11218	0.9
157.10121	1.3
159.11687	3.9
161.13278	2.3
165.12752	0.7
169.10196	1.0
171.11717	2.2
173.13333	1.6
175.14874	2.7
177.12721	3.9
183.11700	0.6
185.13249	1.7
187.14790	1.0
195.11638	0.6
197.13271	1.2
199.14882	1.2
201.16330	0.8
209.13289	1.3
211.14909	0.7
213.16345	0.9
251.17928	0.7
255.17526	0.6
257.19168	1.0
263.18103	0.8
297.22314	0.8
311.23846	1.2
335.23572	0.7
337.25238	3.4
339.26804	5.1
417.31479	3.5
435.26675	1.2
435.32590	24.3
495.34549	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	495.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.8
53.03938	3.7
53.84641	0.7
55.01871	1.4
55.05512	35.2
57.07069	2.1
59.05001	0.9
65.03933	2.2
67.05505	12.1
69.03419	2.0
69.07070	6.1
69.43028	3.8
69.43430	2.2
71.04984	2.8
72.38062	0.7
75.78726	0.9
79.05499	28.0
81.03427	2.3
81.07059	96.7
82.23521	0.8
83.04984	50.9
83.08614	2.9
84.80600	0.7
85.06543	8.1
91.05485	21.6
93.07047	19.3
95.04971	3.4
95.08057	1.0
95.08610	11.8
97.06502	4.0
99.08092	5.9
101.06026	0.9
105.07037	21.4
107.04923	1.0
107.08597	25.6
109.06520	45.6
109.10153	10.8
111.08082	3.3
115.05446	2.6
117.07025	6.6
119.08587	34.9
119.09462	1.3
121.06532	2.1
121.10160	11.4
123.08067	10.3
123.11701	4.5
125.05989	1.2
125.09645	3.0
128.06207	2.6
129.07014	6.8
130.07819	0.9
131.08583	13.3
133.06493	1.6
133.10136	15.8
133.82030	0.8
135.04425	0.9
135.08058	12.7
135.11685	4.3
135.60782	0.8
137.09613	6.5
139.11244	1.0
141.07007	2.6
142.07713	5.4
143.08569	13.5
144.09355	1.6
145.10120	18.2
147.08044	3.6
147.11693	10.0
149.09622	26.0
149.13286	2.5
151.07628	1.3
151.11200	4.4
151.40991	0.9
153.06972	1.0
154.07799	1.0
155.08559	5.2
156.09357	4.3
157.10138	31.8
158.10851	1.3
159.08133	1.1
159.11693	30.0
161.09621	6.2
161.13289	8.6
163.11179	5.4
165.07050	1.3
165.12769	2.0
167.08588	2.2
168.09332	1.6
169.10139	8.4
170.10887	6.0
171.11691	18.0
173.09619	3.2
173.13266	10.3
175.11220	7.7
175.14874	1.5
177.09190	1.0
177.12775	2.1
179.08627	1.3
179.10677	1.6
181.10097	5.1
182.10857	1.3
183.11681	12.3
184.12476	1.6
185.09616	2.3
185.13240	23.5
186.10454	1.1
187.11214	3.9
187.14839	11.8
189.12723	5.7
191.10716	1.2
191.14346	3.6
193.10327	2.0
193.12283	6.9
195.11719	4.7
195.13489	0.8
196.12471	2.1
197.09636	1.4
197.13283	9.1
198.14095	1.0
199.11183	4.3
199.14812	7.1
201.12758	16.3
201.16338	4.6
203.14304	13.8
203.17908	1.4
205.12308	1.1
205.15773	1.1
206.10780	1.6
207.11681	2.3
208.12508	1.0
209.13295	4.3
210.14063	1.1
211.14824	10.2
212.15579	1.5
213.12733	3.4
213.16360	2.1
214.13660	1.0
215.14371	5.0
217.15894	2.2
219.11807	1.1
219.13779	2.1
221.13255	3.8
222.13968	0.9
223.14827	3.7
225.12775	3.1
225.16348	9.3
226.17142	6.0
227.14323	3.1
227.17953	82.4
229.15845	4.8
231.17387	1.4
233.13158	2.0
235.14867	2.0
237.16504	1.6
239.14348	2.8
241.15936	2.7
241.19595	1.6
243.13853	2.2
243.17451	7.4
244.18178	4.1
245.15273	2.2
245.19034	23.7
247.14806	1.1
249.16470	1.3
251.17989	4.1
253.15871	1.4
255.17494	1.4
259.16998	1.2
263.18008	1.6
265.15906	2.6
265.19281	1.1
267.17490	1.7
269.19028	18.8
271.16946	1.0
279.17358	1.3
281.18930	1.0
285.18546	3.2
287.20050	54.9
288.20853	1.3
291.17542	1.3
291.21002	1.1
293.19025	1.4
307.20554	3.0
309.18442	1.5
309.21814	4.7
325.21722	2.2
333.22073	2.5
335.19974	0.7
335.23724	13.7
338.22345	1.1
349.25336	1.5
351.23199	11.4
353.24765	7.3
358.22339	1.7
359.23062	4.8
377.24738	14.3
393.24512	1.0
395.25766	31.5
465.29672	0.9
477.29987	3.4
495.31021	100.0
496.31165	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.2
55.01877	9.1
55.05516	31.9
57.03440	21.7
65.03938	3.4
67.05509	42.6
67.57993	1.5
69.03429	6.9
69.07069	19.8
71.05001	22.0
71.21088	2.7
77.03954	1.5
79.05497	62.7
81.03424	15.7
81.07065	43.5
81.15000	1.5
83.04986	15.4
83.08620	13.7
83.50509	1.3
84.08131	2.2
85.02916	8.6
85.06559	4.2
89.27326	1.7
91.05488	38.8
93.07048	62.4
95.04971	37.6
95.08608	32.8
95.09096	0.9
97.02888	3.4
97.06554	11.0
97.10172	19.3
99.04489	3.9
100.11256	1.6
103.05465	3.0
105.04536	2.0
105.07032	27.5
105.50745	1.4
107.04964	57.7
107.08595	33.7
108.23093	1.7
109.02873	1.8
109.06524	100.0
109.10162	13.1
111.04453	4.3
111.08096	4.3
115.05446	3.2
117.07000	12.5
118.30013	1.5
119.04926	2.6
119.08599	20.8
121.06514	43.0
121.10151	33.8
123.04459	1.6
123.08083	14.3
123.11700	3.7
125.05994	3.0
125.09629	16.2
127.03856	1.8
129.06995	8.9
131.04924	2.6
131.08578	31.4
133.06517	6.3
133.10129	13.1
135.04488	2.5
135.08064	33.1
135.11705	6.4
137.05995	4.0
137.09610	3.0
139.11189	17.3
141.07001	2.4
142.07797	2.0
143.08569	6.1
145.06500	7.3
145.10127	15.7
147.04375	2.7
147.08044	5.7
147.11700	5.9
149.09634	16.4
151.07550	2.9
153.09120	3.4
155.08553	6.9
157.06454	3.1
157.10112	4.6
159.08087	5.9
159.11707	6.6
161.06129	1.5
161.09627	5.0
163.07613	1.4
163.11174	14.1
163.14726	1.5
165.09073	1.7
165.12746	1.8
167.08601	2.4
167.10669	3.2
169.10144	4.8
171.07996	2.0
171.11737	5.6
173.09627	5.1
173.13217	14.9
175.07544	1.8
175.11218	6.5
175.14780	1.9
177.12773	4.1
181.10155	3.2
183.11697	5.2
185.09618	2.7
185.11731	10.0
185.13206	2.9
187.05893	1.7
187.11238	2.7
187.14769	1.6
189.09229	1.4
189.11208	5.8
189.12726	1.8
191.14310	27.5
193.12213	4.0
195.11641	2.6
197.09831	1.8
199.11226	4.2
201.12796	8.7
205.12283	3.6
209.13364	2.5
211.11226	3.3
211.13177	3.6
213.12799	2.7
215.14294	2.7
219.13814	93.5
221.15393	2.1
223.11172	2.1
223.13222	3.8
224.70273	1.4
227.12651	3.8
229.12314	13.2
233.15422	4.6
237.12715	2.2
237.14856	3.8
239.14359	2.2
241.14351	2.4
247.13181	2.2
249.14906	2.8
251.16315	1.8
255.13809	2.1
259.15442	70.1
267.15991	4.1
273.14865	4.7
275.16403	5.7
279.06894	1.4
285.16641	1.8
293.17502	61.1
297.21857	3.1
339.23218	2.4
349.21661	6.7
357.24146	3.7
359.22049	5.6
367.22665	19.6
385.23776	25.4
403.24805	24.6
409.14563	8.3
421.25958	2.2
433.26199	2.3
441.26309	2.3
459.27448	27.4
470.03549	1.6
477.28519	49.9
495.18301	11.2
495.29803	18.7
499.63184	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
55.01869	10.4
55.05516	23.7
56.55305	2.6
57.03436	20.4
59.05011	2.9
61.34864	2.5
67.05514	35.0
69.03445	13.7
69.07079	10.0
69.35875	19.2
71.05003	17.0
71.90414	2.0
73.41273	2.3
79.05062	4.8
79.05498	57.6
81.03423	16.2
81.07062	36.7
83.04990	15.9
83.08640	9.5
85.02911	35.5
91.05495	26.2
91.58734	2.2
91.75331	2.8
93.07048	49.9
95.04973	22.7
95.08618	51.6
97.02885	6.9
97.06539	41.7
97.10166	8.6
99.04462	2.7
103.05447	3.6
105.03464	2.8
105.07042	26.8
107.04970	36.3
107.08611	34.6
109.02899	4.8
109.06527	100.0
109.10191	12.4
111.04440	3.1
111.08099	3.4
115.05470	3.2
117.00583	2.4
117.07027	14.9
119.08590	20.6
121.06495	27.1
121.10155	34.6
123.08048	12.7
123.11762	4.6
125.09639	14.2
127.03936	6.1
129.07034	6.2
131.04953	2.4
131.08577	35.8
133.06512	4.5
133.10182	13.9
135.08069	26.6
135.11684	6.0
139.11235	15.1
141.54810	2.2
143.08565	8.6
145.04958	5.0
145.06485	7.4
145.10126	19.3
147.08054	8.6
147.11693	9.0
149.09662	11.8
149.13261	3.6
155.08627	3.8
157.10168	8.1
159.08092	6.0
159.11720	10.7
161.09627	6.4
161.13272	5.6
163.11205	10.4
167.10677	2.5
169.10124	4.3
171.07983	4.5
171.11729	8.7
173.09633	8.0
173.13263	18.4
175.11194	4.5
175.14929	3.1
177.12773	7.1
183.11662	5.3
185.11697	8.1
185.13206	3.6
187.11229	4.8
187.14830	4.6
189.11261	2.5
189.12801	3.8
189.16479	3.3
191.14322	25.5
191.71422	2.2
193.12300	3.7
195.11668	3.0
197.13300	3.9
199.14822	3.7
201.12744	7.3
201.16374	3.5
205.12242	2.6
209.13327	4.4
211.14928	4.4
217.15947	4.2
219.13837	59.6
227.12697	2.9
229.15910	5.3
233.15271	5.3
237.14824	3.0
241.15906	3.0
247.16917	2.4
248.88460	2.3
253.19453	3.3
259.15442	36.2
271.20590	22.7
275.16577	3.7
279.21173	6.1
293.17468	30.8
297.22137	52.0
315.23111	28.3
333.24390	11.1
367.22595	9.3
385.23825	19.0
385.38077	2.8
403.19315	3.2
403.24731	14.5
403.29520	3.5
417.17123	4.1
459.27765	11.3
477.28638	29.8
495.18826	5.5
495.29755	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	495.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
54.08397	2.1
55.01868	6.6
55.05512	10.7
57.03433	5.3
57.07073	2.8
59.04996	3.0
61.02946	3.8
65.03959	2.6
66.73228	2.5
67.05513	20.7
69.03432	28.0
69.07082	19.8
70.06588	5.5
71.05000	18.1
71.25222	5.1
72.08144	2.8
73.02913	2.7
79.05486	17.5
81.03423	19.8
81.07063	55.0
81.26059	2.1
83.04980	6.8
83.08617	8.2
85.02910	69.3
85.06540	7.5
86.09712	4.8
87.00841	30.0
87.04468	7.0
91.05492	19.7
93.07060	27.3
95.05036	2.7
95.08611	59.4
97.02891	21.4
97.06544	10.8
97.10173	9.7
99.04456	9.2
100.07614	2.2
101.06015	9.2
104.06340	2.8
105.01878	32.4
105.03400	3.1
105.07039	41.5
107.08595	32.1
109.02893	15.5
109.06509	4.3
109.10178	32.5
111.04412	2.5
111.08022	4.3
115.07570	18.9
119.08585	67.2
121.10153	18.8
123.08088	3.8
123.11708	11.8
127.03936	45.0
127.07580	7.4
129.01834	4.0
133.10147	44.6
135.11691	20.9
137.06003	8.2
137.09563	5.5
137.13254	7.9
141.52766	2.0
145.04929	13.0
145.10127	2.7
147.04340	2.3
147.11705	19.7
149.13271	14.4
151.11195	4.8
159.02928	5.5
163.14830	20.8
164.07050	2.8
165.16469	3.0
173.13210	2.8
175.14842	100.0
176.76494	2.5
181.03503	3.8
181.04939	21.3
183.06566	3.0
189.03831	2.9
189.05582	2.2
191.14323	3.6
193.15895	54.3
199.16867	11.6
200.40617	2.5
211.16949	97.2
219.07385	2.3
229.17981	36.1
231.05019	8.1
247.10925	2.5
247.19087	14.8
249.06055	4.6
269.79874	2.4
297.98550	2.6
318.03754	4.2
333.06058	11.9
344.14761	2.4
477.14481	3.4
495.17465	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	495.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01855	4.9
55.05505	12.0
57.03431	8.4
57.07072	2.8
59.04972	2.0
61.02927	3.1
64.58617	1.1
65.03934	2.6
67.05503	17.4
68.99784	1.5
69.03433	25.4
69.07062	14.0
70.06572	1.7
71.04992	16.5
71.54597	1.5
72.17777	1.2
73.02917	3.8
73.06554	1.6
79.05487	11.0
81.03413	15.0
81.07058	45.6
83.04968	4.1
83.08616	8.3
85.02906	59.4
85.06536	3.8
87.00834	29.7
87.04436	4.7
91.03959	1.7
91.05482	15.6
93.07046	27.1
95.04974	1.5
95.08603	60.6
97.02891	17.9
97.06535	8.5
97.10160	8.3
99.04456	7.5
99.08070	3.0
101.05993	9.9
105.01870	35.0
105.03412	2.1
105.07034	36.8
107.08600	23.1
109.02880	17.4
109.06512	1.9
109.10158	35.1
111.04414	1.9
111.08070	5.9
115.07559	19.2
117.06979	1.7
119.08580	61.0
121.10147	17.3
123.08040	4.3
123.11721	9.6
127.03922	38.7
127.07532	5.8
129.01863	1.9
131.08574	1.7
132.07332	1.4
133.10130	42.8
135.11694	20.3
137.05945	2.3
137.09637	3.7
137.13257	9.3
142.14864	1.5
145.04962	12.8
147.11682	25.7
149.13266	11.2
151.11197	2.1
151.14789	1.6
159.02876	4.1
161.46739	1.3
161.99547	1.3
163.14833	15.2
164.07047	1.3
165.16389	2.9
167.14264	1.5
173.13289	2.0
175.14824	100.0
175.61711	1.3
177.16287	2.2
181.04964	14.4
181.15866	1.5
185.19366	1.5
189.03958	2.0
191.14244	2.4
193.15875	58.5
199.16917	9.9
209.15414	1.3
211.16933	95.5
213.03880	3.7
219.22766	1.6
229.17970	29.1
231.05008	10.5
247.19054	15.3
249.06091	2.4
315.13562	1.5
320.70410	1.7
333.05939	4.7
397.22543	1.9
423.20151	2.4
441.21078	2.6
459.21661	2.2
495.17419	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	495.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.2
57.68550	0.7
65.03938	2.5
67.05509	1.3
69.03424	2.5
70.06582	0.9
71.55657	1.6
79.05494	4.1
81.03408	2.0
81.07059	2.8
83.08572	1.0
85.02912	5.3
90.71505	0.8
91.05493	1.0
92.04995	2.4
93.07031	1.7
94.06561	2.8
95.05000	1.2
95.08607	2.4
96.08134	7.0
97.02919	1.3
97.06544	1.1
105.03389	1.6
105.07019	1.0
109.06502	1.7
109.10144	1.5
119.08565	1.3
120.24627	0.9
121.02824	2.3
124.07597	4.8
126.09148	11.2
127.03883	1.1
131.08521	1.3
133.10121	1.4
136.07585	1.4
136.12003	0.8
137.05986	1.4
138.05498	2.8
148.02861	1.0
148.03949	3.8
152.07072	77.1
162.05515	27.2
162.06584	0.6
166.05008	49.6
171.11790	1.2
173.13321	1.2
175.14848	1.0
176.15154	1.0
180.06561	19.6
181.04945	8.9
190.04985	3.2
193.15932	1.9
194.16246	3.4
208.06053	49.9
211.16951	1.2
212.17308	2.2
245.12907	1.7
246.11179	1.3
247.11548	3.0
269.13062	0.9
273.12344	5.7
287.14017	4.7
297.21967	1.1
305.15265	1.3
315.13461	6.3
333.14456	100.0
480.57977	0.9
495.16956	1.4
495.22919	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06203	0.9
54.21355	0.8
65.03934	1.9
67.05486	1.6
69.03420	2.4
69.07072	1.6
69.13233	1.1
69.26497	7.6
70.06562	1.0
79.05498	4.0
81.03402	2.2
81.05775	1.1
81.07042	2.8
83.04988	1.0
85.02895	3.9
86.84449	0.8
91.05493	1.4
92.04996	1.8
93.07040	2.1
94.06552	2.4
95.08572	2.1
96.08144	7.5
97.02885	1.9
97.06541	2.0
99.04435	1.1
106.06578	1.6
107.04890	1.0
107.08629	1.3
109.06513	1.9
109.10188	2.2
109.92127	0.8
111.04336	0.9
119.08595	2.2
120.40115	0.9
121.02870	1.7
121.06478	1.2
121.10128	1.6
123.37876	0.9
124.07561	5.7
126.09162	13.1
127.03923	1.8
131.08540	1.3
133.10123	1.7
134.10443	1.6
135.11673	0.9
136.07574	1.7
137.05968	1.3
138.05472	3.7
139.11140	1.0
145.06554	0.9
147.11688	1.5
148.03944	3.9
151.03787	1.0
152.07069	78.7
156.85590	0.9
157.60229	0.9
159.08090	1.0
162.05502	25.1
164.07149	1.5
166.05003	49.0
175.14772	2.2
176.15160	1.6
178.99702	0.8
180.06578	20.7
181.04968	10.1
182.08134	1.2
190.04994	3.4
191.08072	1.2
193.15900	1.8
194.16190	2.6
208.06059	52.9
209.06355	1.2
211.16925	1.6
212.17256	1.7
245.12854	3.3
246.11186	2.0
247.11491	2.3
269.12787	1.2
273.12329	4.7
287.13968	4.3
305.14795	2.1
315.13315	5.9
319.93375	0.9
333.14447	100.0
371.89621	1.1
495.16803	2.4
495.22806	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54245	0.7
53.03946	0.6
55.01851	1.3
55.05510	5.3
57.03433	0.9
57.07073	0.9
58.86580	0.7
61.02933	0.9
62.06095	71.6
65.31286	0.6
67.05509	7.7
69.03448	3.4
69.07074	6.7
70.06564	0.7
71.04999	4.5
71.55360	1.2
73.02930	0.9
79.05493	3.4
81.03416	2.5
81.07060	7.7
83.04963	0.9
83.08597	3.9
85.02900	6.1
85.06558	1.8
91.05479	3.4
93.07049	5.1
95.04968	2.5
95.08618	9.2
96.08104	1.1
97.02897	2.1
97.06515	1.8
97.10167	2.4
98.06049	0.6
99.04467	10.5
100.07652	0.7
105.07027	3.1
107.04966	1.4
107.08599	3.6
109.02903	1.7
109.06537	1.3
109.10160	4.7
111.08121	1.0
113.09631	1.5
115.05453	0.8
117.07020	0.7
117.20140	0.6
119.08607	3.8
121.10144	3.3
122.09653	0.8
122.10498	0.7
123.04440	1.3
123.11708	1.8
125.06024	0.8
125.09666	0.8
127.03919	2.4
131.08603	1.1
133.10156	3.8
135.11699	5.9
137.05994	1.6
137.09613	1.6
137.13246	1.0
139.11220	0.8
140.04691	1.2
145.04909	0.7
145.10120	1.1
147.08119	0.8
147.11682	1.4
149.13255	1.0
151.07550	1.1
152.07086	7.0
153.12811	1.1
155.07053	1.8
161.13257	0.8
165.09079	0.8
167.07085	4.7
168.06612	1.8
173.06078	0.9
175.14867	1.8
191.08333	1.6
192.06584	1.1
193.15886	1.7
194.08124	5.8
197.10741	1.5
201.05499	3.1
211.13380	1.5
211.16951	21.6
212.09505	0.8
213.05418	1.1
225.10252	3.1
226.11052	0.9
231.06590	0.8
237.37090	0.7
239.08214	1.0
241.09723	0.9
244.13342	0.9
253.09622	1.7
254.10304	0.8
263.07120	1.6
271.10754	1.5
278.24704	1.7
285.12344	3.4
292.10147	1.6
296.25845	25.1
298.09470	1.4
298.33722	0.7
299.10315	0.8
300.11032	1.2
313.11865	19.8
314.26913	100.0
315.27228	1.3
323.09271	0.8
332.27948	13.7
340.09479	0.9
355.11679	3.3
367.12085	1.5
371.11038	1.0
373.12790	5.3
421.14484	1.6
447.16397	2.1
466.19766	1.0
476.18045	1.7
483.18756	0.7
494.18173	2.8
495.17764	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	494.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.1
55.05515	27.8
56.57700	2.5
67.05511	25.4
69.03430	4.9
69.07063	6.3
69.44851	17.5
74.77897	2.2
79.05506	26.5
81.03410	3.4
81.07055	19.9
83.04987	6.0
83.08619	16.8
91.05500	22.8
93.07049	13.5
95.04956	4.9
95.08595	6.1
97.10179	27.7
98.21548	5.5
99.14758	2.4
103.05476	14.6
105.07051	20.0
107.04961	4.3
107.08616	13.7
109.06496	4.2
109.10140	3.8
112.22810	2.7
115.05466	5.4
117.07026	32.5
119.08567	13.4
121.06482	4.5
123.08074	3.1
125.09663	23.2
129.07051	15.3
131.08571	26.5
132.09299	2.6
133.06454	11.2
133.10112	6.1
135.08058	6.7
141.06996	6.5
143.08598	11.9
145.06497	5.0
145.10097	9.5
145.11179	2.5
147.08054	2.9
149.02357	4.1
149.09621	3.2
153.09068	3.6
154.07784	2.9
155.08531	8.4
157.06470	4.6
157.10197	3.6
159.08029	5.3
159.11603	3.9
163.11209	3.1
167.08600	2.9
169.10143	7.6
171.08057	5.4
171.10161	3.8
171.11676	8.6
173.09622	6.3
173.13385	3.1
174.23395	2.7
185.13312	3.1
187.14813	7.8
189.11229	7.9
193.04971	3.7
197.09596	3.8
197.13264	9.7
199.11198	3.7
199.14844	3.2
211.11160	3.0
213.12865	6.7
215.14342	35.7
223.11194	3.2
227.12772	26.4
228.07817	13.1
267.58081	2.7
339.23050	3.4
349.21680	4.8
367.22681	10.9
385.23895	10.2
403.24738	4.4
423.25333	4.5
434.20676	3.9
441.26471	42.6
459.27444	100.0
460.27438	3.4
477.28601	14.3
494.22330	12.4
494.34579	5.5
495.23538	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	494.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94781	1.6
52.60542	1.4
53.03939	2.9
55.01860	2.1
55.05520	9.8
56.05031	4.6
56.87000	1.7
57.03448	2.8
57.07071	3.7
59.04985	1.8
67.05504	12.9
68.99805	2.4
69.03432	10.9
69.07071	20.1
70.06591	4.0
71.05007	3.6
71.56167	2.2
72.08150	6.4
73.02913	2.6
74.02431	4.1
79.05492	6.9
81.03418	8.5
81.07051	29.7
83.04959	3.0
83.08623	9.9
84.08131	2.1
85.02908	27.9
85.06547	3.7
86.06044	2.4
86.09711	4.5
87.00809	8.0
87.04433	1.6
91.05495	5.2
93.07040	10.7
95.04964	3.1
95.08611	31.7
97.02913	13.9
97.06529	3.2
97.10189	4.5
98.09705	3.2
98.36111	1.8
99.04462	4.1
99.08083	4.2
100.04010	1.8
105.01855	7.9
105.07040	7.4
107.04974	1.9
107.08586	14.0
109.02871	9.4
109.06525	2.9
109.10169	28.3
111.08100	4.0
119.08594	19.0
121.10176	8.8
123.08082	5.1
123.11727	16.2
125.09615	3.4
127.03947	22.4
129.09079	1.7
131.08606	1.9
133.10159	13.4
135.11713	15.2
137.05992	2.0
137.09644	8.0
137.13298	4.9
139.11201	1.9
142.08655	1.6
145.04971	8.0
147.11696	3.5
149.13287	5.7
151.11227	3.5
151.14862	3.6
153.12718	1.6
155.10696	2.1
159.02855	2.4
165.16420	2.5
168.17480	3.7
171.06227	1.7
174.48160	1.6
175.14828	23.5
177.16354	2.1
182.19026	2.5
193.12225	2.2
193.15897	36.3
194.19063	3.1
197.04541	2.8
210.15749	1.9
211.13403	4.8
211.16943	77.2
213.04025	4.6
214.18159	8.3
228.19612	2.4
229.07040	2.5
229.14435	2.9
229.18005	7.6
231.04982	4.0
240.19604	6.7
250.25322	13.3
251.07669	1.8
282.12299	1.7
287.05554	2.3
296.25851	100.0
314.26874	7.0
373.14032	2.5
426.93539	2.1
441.21423	2.4
494.25711	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	494.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28987	0.4
53.03943	1.1
55.01858	0.8
55.05498	1.8
56.05025	0.8
57.03427	1.4
57.07081	0.5
59.04990	1.0
60.04215	0.9
60.04527	17.0
60.47421	0.5
61.02930	1.0
61.15726	0.5
62.06093	1.0
66.57867	0.6
67.05510	3.5
69.03425	4.6
69.07071	3.2
70.56837	1.6
71.04993	12.4
74.06078	1.1
75.52152	0.5
79.05475	2.0
81.03418	3.0
81.07048	4.8
83.04965	1.0
83.08614	1.2
85.02421	0.9
85.02905	10.1
85.06552	1.9
86.06083	0.5
87.00835	2.6
91.05464	1.3
93.07050	3.9
95.04965	1.5
95.08607	7.3
97.02908	3.0
97.06504	2.7
97.10161	1.1
99.04454	36.4
99.08056	0.5
105.01860	2.0
105.07038	1.8
107.08606	4.5
109.02879	3.0
109.10158	4.9
111.04408	0.7
111.11715	0.6
113.09630	4.0
115.07539	1.4
119.08601	2.7
121.10120	1.6
123.08066	1.2
123.11697	3.2
125.09618	2.7
127.03918	4.9
132.59914	0.5
133.10136	4.5
135.10689	0.9
135.11690	14.2
137.09631	1.1
139.11180	1.3
141.09087	1.1
141.12714	2.3
145.04930	1.1
147.11676	0.9
149.13272	1.0
151.11197	1.4
151.14771	2.4
153.12784	2.2
159.02936	0.6
169.15823	0.8
175.14819	5.6
177.05539	0.6
183.16551	0.5
193.15894	4.6
197.11740	3.3
210.15723	0.7
211.16930	100.0
224.11317	0.9
229.14159	0.6
231.04974	0.6
254.24887	1.5
260.23749	0.7
278.24713	1.7
279.15897	0.5
285.54614	0.5
296.25949	1.6
314.26895	3.3
332.27936	17.5
421.14255	0.6
494.26236	1.0
494.33255	15.5
495.17447	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60141	3.3
53.03935	12.2
55.01862	9.0
55.05497	11.3
57.03429	7.8
57.07077	3.8
59.04990	3.5
60.04523	4.9
60.39164	3.1
65.97304	3.0
66.07947	3.2
67.05492	13.2
69.03421	29.4
69.07060	8.9
70.06585	8.1
71.04977	5.1
71.55680	5.3
72.08126	6.5
72.38594	3.7
73.02900	3.9
79.05475	14.5
81.03403	23.7
81.07058	22.1
83.04951	8.4
83.08633	4.5
84.04501	6.8
85.02420	6.4
85.02908	68.1
85.06532	7.6
86.06118	4.3
86.09679	13.7
87.00842	29.8
87.04465	5.3
91.05473	9.3
93.07048	29.2
95.04977	4.5
95.08606	29.9
97.02895	32.9
97.06534	5.8
99.04452	10.8
99.08083	31.7
100.07597	9.9
105.01859	47.2
105.07058	23.8
107.08608	39.5
109.02886	35.8
109.06509	12.7
109.10165	51.6
110.09714	4.3
119.08604	36.4
120.08086	20.0
121.10157	34.0
123.08071	10.5
123.11707	10.3
124.07609	3.9
125.09553	5.0
127.03933	44.4
130.04967	5.9
131.08574	4.4
133.06444	4.3
133.10132	71.0
135.08110	4.5
135.11700	100.0
136.06171	6.2
137.05966	7.7
137.09618	23.9
137.13220	3.8
145.04950	25.6
145.10114	6.3
147.07649	7.8
147.11673	5.4
148.53496	3.6
149.13245	8.7
150.13680	3.6
151.11163	10.8
159.02898	7.0
161.05972	15.9
165.09061	5.1
165.12781	4.6
166.08678	4.4
169.12180	3.7
173.12904	8.6
175.11133	5.1
175.14828	60.9
177.05620	4.1
177.16429	23.3
190.04990	5.9
193.08591	10.4
193.12344	4.9
193.15880	92.1
201.05429	4.8
201.12402	5.6
209.15280	7.9
210.15604	3.9
211.13463	4.3
211.16943	51.6
227.16455	4.8
228.16962	3.7
231.04970	15.4
235.13011	4.2
243.13718	4.4
246.11224	5.3
279.15866	6.1
290.18710	3.8
294.14484	7.7
297.17035	6.3
314.22992	6.0
325.11563	5.1
333.05878	12.6
440.27390	3.9
494.28137	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	494.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77109	0.8
53.03942	3.4
55.01868	2.3
55.05521	4.5
56.32462	0.9
57.03445	4.4
61.02914	1.7
61.38968	0.8
62.44337	0.8
67.05499	5.3
69.03438	12.5
69.06725	1.2
69.07074	11.7
70.86321	2.0
71.04992	2.7
72.56082	0.8
73.02926	2.0
77.94527	0.9
79.05497	2.2
81.03423	9.5
81.07085	6.1
83.04996	1.2
83.08613	3.1
85.02911	32.4
85.06558	2.4
87.00850	12.7
90.02844	0.8
91.05480	2.2
93.07064	6.0
95.04984	1.1
95.08611	12.8
97.02905	9.5
97.06535	1.5
97.10186	1.5
99.04454	5.6
99.08089	2.1
100.84075	1.1
105.01864	12.2
105.07030	3.6
107.08615	7.1
109.02883	12.6
109.06489	1.8
109.09464	1.3
109.10166	16.8
111.08065	1.6
117.01842	1.2
119.08586	11.1
121.10155	9.3
123.08083	2.2
123.11710	6.7
124.07608	0.9
127.03939	24.3
127.04906	1.2
129.01817	1.3
133.10147	8.7
135.11703	10.7
137.09627	4.5
137.13272	1.5
139.11212	2.9
145.04973	7.7
147.11752	2.1
147.92935	1.1
149.13255	4.7
151.11180	1.4
151.14839	2.8
155.10672	6.8
159.02946	5.2
165.16391	6.5
167.14389	2.3
175.14828	17.9
175.16281	1.4
183.72383	0.9
191.63794	1.0
193.15894	37.9
210.11337	0.9
211.16943	100.0
212.98904	0.9
223.89717	0.8
229.18024	4.8
231.05084	4.1
325.11816	1.3
459.22424	2.5
494.26346	1.7
494.33191	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.9
55.01872	3.8
55.05516	10.7
57.03429	4.3
61.02936	2.7
65.03942	1.9
67.05503	23.9
69.03136	1.8
69.03433	23.2
69.07066	14.4
69.45848	8.9
69.46274	5.2
71.04977	8.4
72.50923	1.7
73.02898	4.7
77.16430	2.0
79.05492	15.1
81.02982	3.9
81.03421	45.1
81.07059	72.0
83.04974	7.8
83.08611	7.2
85.02913	30.0
85.06541	4.2
87.00812	8.8
91.05483	100.0
92.05853	2.9
93.07044	17.0
95.04944	4.4
95.08611	19.4
97.02901	30.3
97.06516	7.3
99.04459	10.9
99.08075	5.0
105.01863	8.2
105.06396	3.3
105.07034	39.3
107.04936	7.0
107.08607	17.3
109.02880	24.6
109.06494	5.5
109.10134	2.8
111.04418	2.3
111.08091	2.2
113.05999	1.9
117.07028	2.1
119.08584	34.1
121.10148	27.6
123.08044	5.4
123.11701	38.7
127.03917	44.8
127.07562	4.5
129.07002	4.6
131.08549	6.7
133.06494	2.0
133.10100	4.3
137.05952	2.3
137.13254	3.1
145.04958	16.8
145.10188	3.1
147.11690	95.4
149.31900	2.0
157.10110	5.4
159.02885	8.1
160.08408	2.2
163.11229	3.0
165.09062	5.2
165.12752	54.7
166.47414	2.0
171.11743	2.8
173.09512	2.5
175.11218	7.0
183.11703	2.9
183.13811	14.7
186.09111	2.5
193.12201	17.0
211.13283	8.4
213.12743	3.8
229.08519	2.3
229.14345	95.8
230.14589	2.4
231.05000	2.9
291.16000	4.1
296.16684	2.2
301.14343	4.3
309.16815	2.4
319.15482	11.4
332.18610	3.5
337.12576	3.7
337.16443	55.9
341.34995	2.0
355.17517	45.6
373.18613	13.4
384.22702	2.1
476.27414	3.7
494.28333	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	493.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.9
55.01872	2.3
55.05516	47.8
57.03447	0.9
57.07074	2.1
59.05000	1.2
65.03941	1.9
67.05177	1.0
67.05513	12.8
69.03434	3.4
69.07084	4.2
70.28317	0.7
70.28698	0.9
71.04984	2.4
71.08636	1.3
71.55476	1.2
79.05502	33.1
81.03429	1.9
81.07066	100.0
82.07385	1.0
83.04991	72.8
83.08620	2.7
85.06544	3.5
91.05489	24.0
91.81557	0.7
93.07057	21.5
95.04980	4.9
95.08617	11.0
97.06538	2.9
97.10124	1.0
97.71503	0.7
99.08112	2.0
101.06018	1.6
103.05480	1.6
105.04560	0.9
105.07045	23.8
107.04993	3.0
107.08604	24.7
109.06532	44.5
109.10159	6.8
111.08088	4.0
115.05473	2.2
117.07037	7.9
119.06217	0.9
119.08601	16.1
121.06519	6.0
121.10152	12.8
122.07355	1.0
123.08080	6.5
123.11733	1.7
125.09626	2.3
128.06239	3.2
129.07016	7.0
130.07841	1.6
131.08582	20.7
133.06512	2.9
133.07504	0.9
133.10149	11.9
135.04507	1.1
135.08067	62.1
135.11650	3.9
137.09625	17.7
141.07018	2.5
142.07777	5.2
143.08574	12.4
144.09381	2.4
145.06499	1.7
145.10136	30.9
146.07248	0.9
147.08060	8.2
147.11694	5.9
149.09634	33.5
149.13266	1.6
151.07468	1.1
151.11218	1.1
153.07022	1.6
154.07771	1.9
155.08578	7.9
156.09402	3.2
157.10143	20.4
158.07309	1.2
158.10989	2.5
159.08040	5.2
159.11705	15.9
160.08859	1.3
161.09645	12.6
161.13310	2.5
163.07588	1.2
163.11237	6.4
165.07068	2.0
167.08607	3.1
168.09344	1.8
169.02594	0.9
169.10158	8.7
170.10889	3.1
171.08073	2.3
171.11685	11.0
172.08871	1.9
173.09641	12.7
173.13295	9.1
175.11206	10.0
177.09105	5.4
177.12743	1.6
179.08643	1.6
179.10771	1.2
180.09395	1.2
181.10143	6.8
182.10919	3.4
183.11703	19.1
183.13237	1.5
184.08765	0.9
184.12468	1.7
185.09718	4.6
185.13290	14.8
186.10422	8.9
187.11203	14.9
187.14816	1.9
188.11876	0.9
189.12782	6.4
191.10701	1.2
192.09268	0.9
193.10176	3.8
193.12273	2.2
194.10924	1.1
195.07976	1.0
195.11696	9.1
196.12506	3.4
197.09630	2.4
197.13292	10.3
198.10518	1.3
199.11220	8.9
199.14822	8.4
200.11971	2.3
201.12767	34.5
201.16460	2.9
203.14343	2.5
205.12231	1.3
207.11768	2.4
208.12482	2.6
209.09572	1.1
209.13306	6.4
210.10501	1.6
210.14066	2.6
211.11234	2.7
211.14867	3.5
212.12051	1.8
213.12729	8.6
213.16393	2.9
214.13522	1.4
215.14359	6.9
215.17950	2.3
217.12306	2.2
219.11731	0.9
219.13824	1.3
221.13297	3.1
223.11206	2.6
223.14803	6.0
224.11885	1.6
224.15533	1.2
225.12854	6.9
225.16389	21.4
227.14330	9.2
228.15134	1.1
229.12379	1.4
229.15953	2.9
233.13298	2.2
234.14034	1.0
235.14854	2.2
237.12784	1.6
239.14330	8.2
239.17929	1.4
239.23589	1.1
240.15105	2.3
241.15900	16.8
242.16650	3.0
243.13937	5.7
243.17467	75.0
244.17709	1.2
245.15506	0.9
247.14922	2.2
249.12823	1.8
249.16402	1.9
251.14258	1.5
252.15138	1.1
253.15935	4.8
257.15546	1.9
257.19064	2.2
263.14355	1.3
265.15982	2.3
267.17499	8.7
271.16888	0.8
273.16553	1.1
275.17773	1.3
279.17578	1.2
283.16995	3.0
285.18524	50.8
289.15939	1.2
289.19443	1.6
291.17563	1.3
293.18918	1.1
305.19235	3.6
307.20587	6.0
309.18716	1.0
313.27454	2.6
321.22083	1.5
323.20108	1.3
331.20657	2.8
333.22256	4.3
336.26263	1.5
347.23853	2.1
349.21631	17.1
350.22418	1.0
351.23236	29.1
357.22229	7.9
375.23215	13.4
385.23608	1.9
393.24258	38.6
409.23828	1.2
411.25052	1.1
463.28601	2.9
475.28448	3.2
484.17188	1.0
493.29495	97.0
494.29797	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01863	4.7
55.05512	19.3
57.03421	7.0
58.93500	2.6
59.04994	3.3
61.02925	3.5
67.05493	10.6
69.03431	21.0
69.07078	13.3
69.23926	9.2
69.24343	12.0
70.06588	9.9
71.04986	7.8
72.08132	3.5
73.02917	4.5
79.05500	4.9
81.03433	14.7
81.07063	17.6
83.04993	11.7
83.08616	4.2
84.04488	3.1
85.02908	43.3
85.06554	18.6
86.09721	2.8
87.00837	22.1
87.04487	2.8
91.05478	6.0
93.07044	14.0
95.04971	5.1
95.08606	8.4
97.02916	18.5
97.06522	3.8
98.20702	4.9
99.04453	6.6
99.08064	4.0
100.04760	2.4
101.06026	44.1
103.05380	2.7
105.01876	18.9
105.07018	8.2
107.08595	21.0
109.02874	10.3
109.06536	14.7
109.10154	22.9
111.08077	8.1
115.02478	2.1
116.07011	2.5
119.08567	6.4
120.08086	3.0
121.02990	2.1
121.10159	20.0
123.08061	7.7
123.11739	15.0
125.09624	9.7
127.03933	31.4
127.11186	8.5
131.08556	12.3
133.10161	15.0
135.08101	4.2
135.11681	9.6
137.05966	11.2
137.09618	9.8
139.11082	3.7
145.04964	8.8
145.10139	3.1
147.11708	4.0
149.09625	15.0
149.13257	10.6
151.07553	2.9
151.11211	28.1
153.01425	2.6
153.09073	2.6
159.02809	3.3
161.06012	3.0
163.06033	11.8
163.14827	11.9
165.12750	3.2
167.14240	2.7
173.13216	10.2
181.15863	5.5
191.14320	35.3
209.15392	100.0
227.16444	64.9
245.17514	41.3
254.08157	3.2
299.13885	3.8
313.11783	3.2
315.13205	3.1
315.74106	2.4
331.12759	3.5
407.88486	2.7
493.17920	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.5
53.44489	1.0
55.01863	2.7
55.05511	6.8
57.03444	4.4
57.07082	1.8
59.05001	1.4
61.02929	2.4
67.05503	3.3
69.03436	10.7
69.07072	4.9
69.07397	0.9
69.41666	4.2
69.42071	1.9
70.06603	1.1
71.04980	4.7
72.08210	1.0
73.02905	2.5
74.21865	0.8
79.05503	4.7
81.03426	9.4
81.07052	7.8
83.04982	3.2
83.08632	6.6
85.02908	35.1
85.06544	2.8
86.06065	2.8
87.00832	13.8
91.05484	4.6
93.07044	7.7
95.04977	17.9
95.08591	5.7
97.02896	9.1
97.06532	22.4
98.21527	1.6
99.04454	8.7
99.08080	1.7
105.01876	16.6
105.07035	14.1
107.08605	12.9
109.02878	8.7
109.06518	24.1
109.10184	8.2
111.04449	1.7
111.08089	2.5
112.50023	0.8
113.09683	1.8
113.69292	0.9
115.07551	1.5
116.10709	2.1
117.01921	0.9
117.06997	1.5
119.08588	10.7
121.10143	17.0
123.08082	10.3
123.11694	3.0
125.05995	1.0
125.09626	2.7
127.03930	20.2
129.01811	2.1
131.08549	7.5
133.10135	34.2
135.08069	8.0
135.11707	3.8
137.09633	1.7
139.11174	1.4
143.08594	1.0
145.04970	6.2
145.10109	2.4
147.02905	1.2
147.11687	29.1
149.09608	2.1
149.13252	3.7
151.11197	2.1
153.09119	16.9
158.10977	1.4
159.02885	4.8
161.13263	0.9
163.11171	1.3
163.14830	8.4
165.12758	11.0
167.06981	1.2
171.10162	1.7
173.13257	17.6
175.14833	1.1
177.04007	1.1
186.23790	1.0
191.14307	38.0
209.15369	100.0
213.04018	1.0
225.14841	1.8
227.16429	85.9
231.05031	5.4
249.06053	2.5
269.17459	2.1
388.19492	1.8
406.20831	1.2
439.19864	2.4
457.20181	1.1
475.21805	1.7
492.24307	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
53.64435	1.6
54.31786	1.6
55.05492	6.4
55.61226	1.7
57.03428	2.7
60.29216	2.1
67.05516	13.5
69.03434	2.3
69.07053	6.8
79.05493	12.7
81.03424	10.9
81.07063	15.9
83.04964	6.4
83.08606	4.9
85.02929	2.0
85.06509	2.0
86.51530	2.0
91.05485	25.0
93.07053	14.9
95.04983	9.8
95.08588	9.1
97.02872	2.7
97.06490	3.3
97.10156	3.6
98.20702	3.4
103.05436	5.9
105.07036	22.3
107.04948	4.4
107.08568	8.6
109.06477	5.3
109.10159	5.6
111.04441	2.5
115.05450	12.3
117.07012	21.8
119.04901	2.4
119.08574	20.1
121.06474	4.0
121.10123	5.8
123.04446	2.2
125.09604	3.5
128.06247	10.9
129.07024	16.7
130.07730	3.3
131.04887	4.1
131.08569	36.8
133.06458	4.5
133.10150	15.5
135.08051	3.0
135.11687	3.1
141.06947	4.0
142.07748	6.5
143.04935	3.4
143.08574	17.6
145.06511	14.0
145.10138	30.7
147.04408	2.1
147.08089	10.7
147.11690	2.2
149.09602	6.6
153.06998	3.5
154.07776	3.7
155.08553	14.5
156.09401	9.5
157.06497	18.9
157.10143	26.1
157.11339	3.2
158.07292	2.9
159.08069	9.6
159.11633	9.0
161.05995	9.3
161.09621	6.0
163.10040	2.0
163.11211	23.7
165.07008	4.6
167.08553	4.4
168.09357	2.4
169.10109	8.1
170.10852	5.6
171.04523	2.5
171.08014	7.2
171.11702	38.2
173.05956	5.2
173.09631	37.5
173.13240	4.4
175.07555	39.0
175.11163	5.4
177.09058	2.4
177.12692	2.5
178.07719	2.1
181.06479	4.9
181.10118	5.4
183.08029	7.8
183.11691	24.9
185.09630	12.2
185.13271	17.9
187.07462	4.7
187.11203	4.0
189.09038	2.6
191.10643	2.9
193.10068	4.2
193.12247	6.0
195.07962	2.3
195.11700	4.6
197.09575	7.9
197.13217	4.5
198.10338	3.3
199.07431	8.4
199.11176	17.8
201.09111	7.6
201.12715	6.4
203.08618	2.5
203.10596	2.5
205.12195	9.8
206.10860	3.0
207.11772	3.9
209.05835	3.0
209.09622	2.1
211.07594	2.9
211.11140	13.7
211.13184	4.5
213.12758	15.8
215.10629	5.0
216.09189	2.6
217.12311	3.4
221.09534	2.2
223.07599	2.4
223.11273	3.4
225.12694	3.5
227.06972	6.2
227.12634	3.6
229.10165	4.7
229.29100	2.2
230.10776	3.6
231.11790	3.3
231.13718	4.0
233.09573	2.6
233.11534	4.4
235.11136	3.0
239.10590	3.1
242.10692	3.0
243.11635	7.4
243.13791	6.7
244.12418	4.2
244.14662	4.0
245.13295	4.6
245.15504	6.0
249.12621	2.2
255.11710	3.2
256.12476	5.2
256.74713	2.3
257.13190	7.2
258.13995	5.3
259.11005	3.2
265.09964	2.3
268.12317	2.9
269.13300	5.2
270.13995	5.1
271.15018	4.1
272.15515	3.1
273.12451	2.8
273.15640	2.3
275.10587	3.7
281.13080	2.4
282.14069	3.6
283.11179	4.4
283.15094	5.9
284.12134	2.7
284.15573	2.8
285.12936	4.0
285.16254	6.1
289.12195	4.6
297.12714	4.0
297.16165	2.3
298.13382	4.1
299.14182	5.8
301.12177	4.0
301.15872	2.6
302.12991	2.7
303.13760	3.7
303.17502	2.2
312.14920	2.6
313.12631	3.3
313.15839	12.8
314.16431	2.8
315.17236	3.8
316.14566	5.6
317.11435	2.0
317.15244	6.7
326.12759	2.6
327.17371	7.5
329.18951	2.7
331.13162	3.6
331.16830	22.0
340.14502	2.9
341.15463	12.1
343.13235	2.5
344.14194	2.1
345.18463	5.6
347.20050	4.2
355.16800	7.0
355.20657	2.7
359.16434	17.2
373.17715	14.2
373.21994	15.5
383.16315	7.9
383.21786	2.7
387.19333	6.1
391.19122	12.7
401.17310	7.6
405.20572	17.5
415.18713	10.3
419.24918	2.1
433.20068	84.0
451.21277	20.4
461.28925	7.0
475.20898	3.6
475.26926	6.4
493.22092	100.0
493.28000	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	492.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.1
57.03418	2.1
61.02919	1.7
69.03418	2.3
69.68811	4.6
70.06637	0.8
73.02916	1.8
81.03411	1.4
85.02914	8.2
91.18010	0.9
95.01311	4.4
95.04981	1.0
97.02890	2.6
103.03975	5.8
103.05462	2.1
104.71991	0.9
109.02895	1.6
111.04456	1.5
115.05453	2.5
115.61139	0.8
117.03433	1.1
123.04396	1.0
127.03869	1.7
128.06163	0.9
129.06995	2.0
131.04909	6.1
133.06465	1.0
135.04427	9.6
137.02332	3.0
139.03889	5.6
141.06969	1.8
143.04927	8.7
145.02885	1.6
145.06506	1.8
147.04420	11.0
149.05997	9.0
150.10222	0.9
152.98785	1.0
157.06482	2.4
159.04350	1.8
161.05984	19.5
163.03911	74.8
165.05492	2.5
167.03293	1.1
169.06456	1.9
171.04422	2.0
173.06000	5.6
175.03883	6.8
175.07576	2.7
177.05476	5.1
179.03291	1.2
181.04947	2.2
185.05977	5.2
187.03865	2.6
187.07602	1.7
189.05473	28.2
191.03404	4.0
191.07043	1.2
193.04968	31.3
199.03893	1.2
201.05426	3.7
203.06996	3.8
205.04976	6.7
207.06483	4.3
209.04541	0.8
213.05464	18.7
215.07030	5.0
217.04961	10.2
219.06541	2.3
223.05971	2.8
231.06531	25.0
233.04384	2.3
235.06041	22.9
241.04936	2.6
247.06168	1.0
249.07603	2.7
259.06033	35.0
265.06979	0.9
277.07071	25.7
295.08145	100.0
296.08243	0.9
331.07941	1.2
361.09238	1.1
380.48242	0.9
421.11078	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	491.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99805	2.8
51.00080	2.5
53.03950	4.4
55.01865	3.1
55.05511	31.0
57.03411	3.9
57.07072	12.6
61.02919	4.3
61.28623	2.5
65.03979	2.9
66.17997	2.7
67.05513	31.6
68.94706	2.7
69.03422	9.5
69.06722	4.9
69.07070	64.3
69.76762	16.8
71.08615	3.5
76.96893	3.0
79.05498	14.2
81.03416	4.0
81.07065	98.3
83.04984	5.2
83.08626	38.3
85.02914	35.0
85.06546	7.8
86.33665	2.8
88.46428	3.0
91.05485	7.9
93.07059	18.7
95.04983	4.3
95.08616	100.0
97.02932	6.1
97.10184	21.0
98.20820	4.1
99.04433	4.7
99.08057	7.0
105.07018	9.2
107.04964	5.1
107.08591	19.4
109.02876	9.3
109.06540	4.6
109.10171	68.1
111.08102	4.0
111.11723	26.7
113.46330	3.1
119.08604	10.3
121.06516	3.7
121.10146	11.2
123.11719	45.2
125.13276	20.4
127.03934	8.3
128.84595	2.7
131.08551	5.5
133.10153	5.9
135.11697	10.5
137.09708	3.1
137.13271	27.6
139.14861	4.1
143.08633	2.9
145.04956	9.7
145.10136	5.4
149.13263	11.6
151.14822	20.3
155.14331	5.2
159.11722	4.5
163.06021	10.1
163.14810	6.4
165.09044	5.0
165.16396	12.2
169.15930	8.6
174.65105	2.9
178.07956	2.9
179.17953	6.8
193.19485	5.0
205.19502	3.0
219.13962	4.0
219.21156	3.9
275.27396	11.1
293.28418	30.2
383.29456	4.5
459.27557	6.5
491.30206	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	491.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01878	6.1
55.05513	16.5
57.03436	2.2
64.36316	1.2
65.03938	1.2
67.05506	25.0
69.03435	1.8
69.07057	5.7
71.04994	9.5
71.56498	1.2
79.05490	27.8
81.03412	5.6
81.07052	30.9
83.04990	6.4
83.08625	4.4
85.06541	3.3
91.05476	16.6
93.07040	25.9
95.04963	11.9
95.08600	13.7
97.06538	2.9
97.10188	9.1
103.05479	7.1
105.07034	15.0
107.04958	22.9
107.08594	15.8
109.06507	12.5
109.10149	14.8
111.08081	2.4
115.05458	3.4
117.07004	7.6
119.08582	12.1
120.08939	2.0
121.06508	20.3
121.09307	1.9
121.10131	13.9
122.07278	2.0
122.10521	1.2
123.08051	4.0
123.11713	9.5
125.09638	8.9
128.06186	1.5
129.07025	6.5
131.04910	10.5
131.08556	15.0
132.08878	1.1
133.06511	4.5
133.10123	6.7
135.08073	4.8
135.11678	2.1
137.09599	12.5
138.86273	1.1
139.11125	2.8
141.07021	2.9
142.07802	1.3
143.08588	10.0
143.26733	1.3
144.08865	1.7
145.06464	7.7
145.10158	5.9
147.08070	4.7
147.11731	4.4
149.09641	4.9
149.13289	1.8
153.09099	2.1
153.12877	1.3
155.08571	4.5
156.09370	1.7
157.06468	1.8
157.10173	6.2
158.10535	2.7
159.08054	3.1
159.11705	3.8
160.12053	2.5
161.06038	2.5
161.09634	3.6
163.11166	3.1
165.09117	100.0
167.08612	1.9
167.10744	3.3
169.10150	4.2
170.10503	1.1
171.08017	3.4
171.11681	4.0
173.09679	2.3
173.13229	5.9
175.07565	1.4
175.11211	2.2
179.08565	1.5
180.09167	1.3
181.10109	2.6
182.10808	1.5
183.11693	3.8
184.12019	2.3
185.09659	3.3
185.13306	2.7
187.11259	1.4
189.11226	2.7
191.10704	1.4
191.14319	3.4
193.10034	1.5
194.10759	1.1
194.86409	1.2
195.11649	5.7
196.12180	3.5
197.13245	4.5
198.13629	3.5
199.11449	2.1
199.13324	4.6
201.12859	2.6
205.12369	1.6
209.13313	3.7
210.13701	2.1
211.14861	2.8
212.15109	2.4
213.12767	2.2
215.14334	1.9
217.12149	2.5
219.13857	7.9
223.14871	5.5
224.15244	5.1
224.23656	1.1
225.15698	4.1
226.16716	1.4
227.14513	2.0
227.17065	1.4
233.15366	2.1
237.12804	2.5
241.12270	1.9
247.17023	1.8
249.14879	3.3
255.13889	2.9
266.20074	1.8
267.20435	1.9
271.17065	1.7
273.14917	6.1
275.16437	6.4
313.18283	1.3
325.21619	3.0
326.21933	4.3
327.22183	9.4
339.22989	2.1
349.21545	5.9
367.22705	20.0
385.23709	18.6
399.25623	1.5
403.24850	6.4
417.26675	1.4
441.26505	5.1
459.27420	68.0
460.77213	1.2
473.29108	2.1
491.24106	5.6
491.30130	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.6
55.01858	2.7
55.05516	9.4
56.98309	0.9
57.03414	1.2
65.03938	1.3
67.05170	1.1
67.05510	15.1
69.03421	2.4
69.07053	2.9
69.23279	8.1
71.04973	2.4
77.03915	1.4
79.05496	14.4
81.03411	3.6
81.06591	0.9
81.07062	15.0
83.04967	2.4
83.08614	4.8
85.06519	1.2
91.05490	11.6
91.14713	0.8
92.41880	0.9
93.07039	12.4
95.04966	6.6
95.08608	11.2
97.06525	2.0
97.10178	8.2
102.04636	0.7
103.05472	44.9
103.98434	0.8
105.04526	1.2
105.07040	8.0
107.04963	9.4
107.07945	1.1
107.08595	8.9
109.06514	6.8
109.10146	2.8
111.08035	1.2
112.43524	0.9
115.05454	1.1
117.07033	4.7
119.08583	8.8
121.06511	8.5
121.10156	5.4
123.07195	1.6
123.08070	25.1
123.11733	0.8
125.09629	6.0
128.06212	2.1
129.06993	2.3
129.22838	0.7
130.07787	1.4
131.04935	97.4
131.08566	7.2
133.06464	2.1
133.10153	5.3
135.08089	4.1
135.11716	1.5
137.06049	0.8
137.09630	1.2
139.11195	0.8
141.06970	1.7
142.07759	2.6
143.08572	5.7
145.06450	2.7
145.10138	8.3
147.08058	7.1
147.11700	1.7
149.09598	3.0
153.07001	1.0
153.09109	1.3
154.07750	1.2
155.08533	3.4
156.09328	1.7
157.10135	8.8
159.08028	3.4
159.11690	2.8
161.05928	0.8
161.09624	3.6
163.11218	1.8
165.07092	1.7
165.09096	3.4
167.08636	1.8
168.09380	1.0
169.10135	4.5
170.10947	1.2
171.08118	2.1
171.11682	2.8
173.09654	4.7
173.13287	1.7
175.11194	1.4
179.08548	3.1
180.09393	1.9
181.10095	3.3
183.11697	4.0
185.09630	2.8
185.13248	1.3
187.11218	1.8
189.09081	1.3
189.11234	3.5
189.12758	0.9
191.08548	0.9
191.14325	1.7
192.09351	2.2
193.10112	5.4
193.11966	1.1
194.10921	1.9
195.11668	5.1
196.12373	1.1
197.09610	2.4
197.13155	1.9
199.11192	2.6
199.13112	0.9
201.12799	1.3
203.08624	1.3
203.10526	0.8
204.09264	1.1
205.10120	2.1
205.12105	1.2
206.10878	3.7
207.11693	6.5
208.12407	1.4
209.09714	1.0
209.13275	3.8
211.11186	3.6
211.14856	1.0
213.12730	2.1
216.09186	0.9
217.10158	1.8
217.12141	1.3
219.11682	5.5
219.13791	6.1
220.12436	2.8
221.09537	1.1
221.13211	3.5
222.14023	1.0
223.11165	2.8
223.14833	1.5
225.12735	2.1
227.12767	2.8
229.10155	1.6
231.11691	2.7
232.12360	1.8
233.13194	1.7
234.14119	1.9
235.11098	1.6
235.14801	6.2
237.12704	3.4
237.16417	3.0
244.12529	1.8
246.14003	2.7
247.11037	2.0
247.15085	1.8
249.12671	3.0
249.16603	4.4
251.14246	2.0
253.15735	2.0
259.11148	1.2
259.14706	2.2
261.12631	1.4
261.16260	3.3
262.13632	1.7
263.14404	1.4
264.15057	2.3
265.15857	1.7
267.17377	2.9
269.15335	0.9
273.14810	1.5
275.16483	1.0
277.15900	6.7
279.17471	9.0
281.15146	1.0
289.15836	1.8
295.16953	2.2
297.18427	1.5
307.17010	4.0
325.17987	12.3
339.23135	1.5
343.19147	7.9
349.21405	2.2
357.24564	1.0
367.22815	5.7
385.23804	6.0
389.13049	0.9
389.23099	1.2
399.21350	1.2
403.24771	2.3
423.25269	0.9
441.26511	1.4
445.26111	1.3
457.36978	1.0
459.27386	18.1
463.26508	0.9
473.22961	4.0
491.24200	100.0
491.30066	8.7
492.24365	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	491.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02410	1.1
51.07096	1.4
53.03942	3.6
55.01860	2.3
55.05507	7.4
57.03424	1.7
62.29719	1.0
65.03941	1.8
67.05505	12.9
69.03406	3.5
69.07046	3.7
71.04998	1.6
77.03910	2.0
79.05495	19.0
81.03391	4.9
81.07065	13.1
83.04958	4.7
83.08616	2.6
83.79830	1.1
86.11976	1.3
91.05486	25.0
93.07044	18.2
95.04979	12.9
95.08604	10.1
97.06514	4.3
97.10130	3.3
103.04799	2.8
103.05473	44.9
103.65961	1.1
105.07040	21.3
107.04943	4.0
107.08602	16.1
109.02843	1.8
109.06505	5.9
109.10168	3.5
111.04492	1.6
111.08083	2.4
115.05422	1.8
117.07049	7.7
119.04939	1.2
119.08587	27.5
121.06501	4.5
121.10155	6.5
123.08047	11.2
123.11686	1.8
125.05971	2.0
125.09666	2.7
128.06227	3.8
129.07030	7.5
130.07802	1.8
131.04939	100.0
131.08585	17.3
133.06480	3.4
133.10141	12.2
135.08069	11.1
135.11652	2.7
137.09604	1.9
141.06972	2.3
142.07753	5.6
143.08566	13.1
144.09410	1.3
145.06506	4.1
145.10150	14.1
147.08057	47.7
147.09227	2.3
147.11665	4.7
149.09634	6.4
151.07555	2.4
155.08563	6.2
156.09312	5.4
157.10149	14.6
158.07271	1.7
158.10915	2.1
159.08067	8.5
159.11697	7.7
161.09624	8.2
163.07555	4.4
163.11182	4.8
165.06987	3.4
165.08987	1.3
167.08504	2.4
168.09296	2.8
169.10146	7.5
170.10826	2.4
171.08006	2.5
171.11726	12.3
173.08224	1.8
173.09628	11.8
173.13280	6.9
175.07567	2.0
175.11192	4.2
177.09077	2.9
179.08588	3.1
180.09312	1.6
181.10120	6.8
183.11699	13.2
184.12447	2.1
185.09578	5.2
185.13199	5.4
187.07480	2.0
187.11205	6.8
189.09114	3.5
189.11069	1.5
189.12704	2.6
191.10657	3.3
193.10133	6.7
193.12006	1.8
194.10936	2.6
195.08096	2.5
195.11728	8.0
196.08861	2.0
196.12375	1.9
197.09587	2.3
197.13286	2.9
199.11195	7.6
201.09132	1.6
201.12791	11.7
203.08658	1.3
203.10661	2.7
205.10046	1.7
206.10907	2.7
207.11745	6.5
208.12451	3.2
209.09624	2.3
209.11458	1.7
209.13292	6.9
211.11185	5.1
213.12706	6.2
215.08516	1.9
215.10666	4.9
217.10300	2.3
217.12172	2.2
219.11681	4.0
219.13722	1.8
220.12476	2.3
221.13281	7.1
222.13834	1.4
223.11157	4.0
223.14835	3.6
225.12720	1.8
225.16557	1.4
227.10686	2.6
227.12773	4.4
229.10117	1.6
229.12201	5.8
231.11763	13.4
231.13806	2.8
232.12436	2.1
233.13342	2.2
234.13882	2.2
235.11201	1.8
235.14806	5.4
237.12726	4.0
237.16389	5.0
239.14230	1.8
246.14034	11.3
247.11008	1.5
247.13084	2.4
249.12698	5.1
249.16409	4.1
251.14261	1.7
251.18053	6.0
255.13841	1.6
255.17351	1.4
261.16434	17.9
263.14502	2.8
264.15118	4.2
265.15808	3.7
267.17563	2.4
269.18930	1.5
274.13513	3.1
277.15851	2.5
279.17453	31.0
289.16000	5.6
295.16858	4.4
297.18512	27.5
307.16891	20.2
315.19504	6.9
325.18015	41.7
343.15155	1.7
343.19098	17.9
473.23254	5.8
473.29074	4.7
491.24298	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	20.3
55.01871	24.9
55.05505	31.3
55.13507	8.3
55.41757	9.8
57.03432	20.5
67.05515	63.0
69.03432	42.1
69.07066	44.0
71.05003	12.9
71.55461	11.7
72.08140	14.7
73.02908	11.8
79.05499	47.7
79.22398	9.9
81.03429	30.5
81.07069	69.9
83.04981	44.0
83.74311	9.3
84.08127	11.1
85.02908	62.9
85.06544	24.4
91.05478	100.0
93.07063	76.8
95.04981	43.3
95.08630	54.0
97.02895	31.4
97.06512	22.2
99.04478	27.1
102.67265	8.5
103.05492	18.5
104.92788	8.6
105.07050	92.7
107.04965	31.4
107.08601	64.2
107.09226	9.3
109.02892	33.8
109.06522	35.1
109.10155	67.6
110.10511	11.4
111.08121	13.9
114.83839	9.7
115.05468	21.8
117.07019	38.6
119.08592	83.9
121.02896	14.3
121.06500	31.9
121.10149	54.0
123.04514	12.5
123.08098	22.6
125.06011	11.4
125.09678	11.0
127.03931	45.8
127.07531	9.2
128.06255	13.4
129.06958	28.7
131.08585	56.9
133.06490	21.4
133.10141	49.4
135.08035	47.5
135.11734	14.7
137.02405	13.8
137.05983	60.7
137.09633	24.2
139.07611	11.9
141.07056	15.1
143.08554	40.5
145.04974	12.7
145.06467	28.1
145.10104	53.2
147.08060	36.1
147.11713	19.2
149.09636	50.1
151.07539	32.5
151.11200	15.9
155.08563	15.7
156.09332	19.0
157.10127	40.0
158.07207	11.4
159.08073	31.2
159.11737	32.8
161.06029	18.5
161.09593	31.6
161.13364	15.1
163.03967	18.0
163.07562	28.7
163.11211	29.2
165.07011	14.9
165.09090	57.4
165.12730	19.2
167.07065	35.2
167.08490	12.9
169.10110	27.8
169.12201	18.4
171.11705	39.2
173.05882	12.8
173.09584	57.4
173.13287	14.3
175.07559	12.1
175.11154	28.6
177.05568	13.4
179.08580	19.9
181.04942	15.8
181.10117	18.2
183.08171	12.6
183.11699	34.4
184.08754	13.1
185.09703	30.9
185.13277	15.6
187.07571	12.4
187.11165	23.4
189.12753	20.1
191.07042	12.5
191.10744	17.3
193.10190	20.1
193.12302	11.3
195.11626	22.1
197.09673	15.4
197.13255	18.8
198.10408	20.2
199.11168	30.5
200.11993	18.1
203.10690	10.6
207.06447	15.0
207.11743	22.7
207.13579	22.2
208.14169	21.4
209.13474	13.5
211.11197	45.5
213.12686	45.8
215.10696	10.6
217.08540	11.3
221.13383	17.9
223.11206	18.5
224.19051	11.5
225.14954	27.1
225.18680	11.2
231.13820	13.7
237.12714	25.4
243.07848	16.0
243.11833	17.6
243.16016	24.8
245.13269	18.4
253.24547	11.8
257.11557	20.7
259.13220	19.8
261.12704	13.1
283.09546	11.1
284.10532	11.3
285.12509	11.0
287.05450	45.1
299.14032	11.3
315.13718	17.8
317.15378	14.2
329.10287	18.4
333.14786	19.2
335.16122	16.8
345.14722	32.0
349.18036	12.3
359.16330	34.9
361.18076	15.4
363.16010	22.5
371.10883	11.0
377.17300	22.0
391.18433	11.4
405.17212	13.9
423.17935	18.0
437.19519	19.0
455.20306	13.3
457.22348	24.7
473.21738	14.9
491.16925	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	491.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.5
55.01878	7.3
55.05506	8.7
57.03423	4.9
67.05509	15.6
67.48381	2.7
69.03446	14.8
69.07074	9.5
70.06595	6.3
71.04996	7.0
71.55446	3.3
71.55816	3.3
73.02902	4.0
73.30122	3.2
78.89056	3.9
79.05471	17.0
81.03416	10.3
81.07062	18.3
83.04980	9.4
84.08165	4.6
85.02905	20.2
85.06544	4.1
86.09698	4.4
87.00817	4.0
91.05486	16.3
93.07045	15.2
95.04986	21.0
95.08589	14.2
96.03129	4.0
97.02902	13.6
97.06531	8.9
99.04454	4.5
101.06017	3.1
105.07037	25.5
107.04945	10.3
107.08619	17.4
109.02887	8.3
109.06509	13.1
109.10164	6.1
111.04435	6.6
117.06992	6.7
119.08587	29.3
121.06526	11.2
121.10163	16.8
123.04416	6.0
123.08074	9.7
125.06009	4.8
127.03915	10.8
128.06190	5.0
129.06982	4.2
131.04924	5.0
131.08598	17.0
133.06491	12.2
133.10117	14.2
134.03043	3.1
135.08046	10.4
135.11696	4.7
137.05997	12.1
137.09612	5.9
141.06931	3.4
142.07768	4.6
143.08592	15.6
145.05016	5.8
145.06485	10.5
145.10120	14.1
147.08028	16.7
147.11697	9.6
149.06015	9.9
149.09663	15.5
151.07513	3.6
156.09346	6.6
157.10129	11.3
159.08043	26.2
159.11613	5.0
161.05983	13.4
161.09637	9.2
163.07561	5.8
163.11218	4.2
165.07039	8.3
165.09087	5.9
167.07094	8.2
167.08743	4.3
167.10513	4.0
169.10039	5.4
171.08040	13.6
171.11728	14.4
173.09648	16.6
173.13150	7.0
175.07562	7.1
175.11208	13.2
177.09103	5.8
179.07051	7.9
179.08527	5.3
179.10712	4.9
180.09312	3.4
181.04927	7.5
181.10243	3.1
183.08121	3.9
183.11700	5.2
185.09648	10.3
185.13321	6.1
186.10381	4.7
187.07578	3.7
187.11125	9.2
189.09117	7.0
189.12747	6.0
191.14310	3.3
195.11694	5.2
196.08902	3.3
197.09645	24.3
199.07484	4.3
199.11217	15.8
201.09238	4.9
201.12814	16.4
203.10573	5.2
207.13814	8.7
209.15318	4.5
211.11180	4.3
213.09045	4.3
213.12703	10.4
215.10693	39.6
217.08583	4.8
217.12183	8.0
221.11665	4.4
223.11211	5.1
225.12833	7.3
225.14879	7.5
227.10674	5.9
231.10085	5.8
231.13770	4.7
239.10667	4.8
239.12779	6.2
241.12253	11.0
243.13795	6.5
243.15974	11.2
249.12631	4.4
251.14557	3.9
259.13330	100.0
261.11246	4.1
263.14420	3.9
265.15857	4.7
271.13327	5.0
277.14438	8.3
287.12665	4.9
289.14447	10.5
295.15366	7.6
301.14255	4.4
329.15231	3.5
331.15598	4.4
333.16873	6.4
337.17953	6.9
355.19067	8.0
361.16553	12.2
375.15442	3.6
389.19666	4.0
399.22079	3.3
407.18765	3.4
409.20187	3.7
413.23547	4.9
419.18372	12.2
437.19385	18.0
455.20581	50.5
466.71283	3.7
473.15497	6.8
473.21561	53.2
491.22754	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	490.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01867	3.0
55.05519	2.4
57.03437	9.1
57.46315	1.2
59.04991	1.9
59.40259	0.9
61.02926	3.0
65.60572	1.0
67.05498	2.7
68.99815	1.0
69.03436	12.2
69.07076	2.2
70.06599	3.2
70.52376	3.1
71.04999	48.5
72.08165	1.5
73.02914	3.2
75.04478	3.0
79.05496	2.4
81.03432	11.0
81.07062	3.4
83.04994	9.7
83.08640	1.7
85.02911	100.0
87.00829	10.8
87.04462	2.2
91.05486	4.3
93.07053	4.7
95.04971	3.4
95.08609	6.0
97.02905	15.3
97.06532	3.1
99.04475	6.4
102.31667	1.0
105.01865	14.7
105.03380	7.7
105.07047	5.3
107.08622	5.9
109.02878	10.4
109.06531	5.1
109.10123	1.6
111.04446	4.0
111.08060	1.4
116.07122	1.4
118.07153	1.2
119.04987	1.3
119.08592	6.5
121.06544	2.1
121.10155	6.2
123.08079	65.0
124.05210	1.7
125.06035	1.7
126.05513	1.2
127.03934	24.6
129.01872	1.6
129.05490	29.2
131.08673	1.5
133.06552	1.6
133.10219	1.6
135.08051	1.8
135.11758	1.4
137.06042	3.2
137.09630	2.5
139.07562	1.4
139.11229	1.9
145.05014	10.5
145.06105	1.8
146.59668	1.1
147.06531	17.2
147.11699	5.0
149.09618	5.3
151.07584	1.9
151.11188	6.9
159.02856	6.0
161.13271	3.4
163.11176	5.9
164.09233	5.1
164.86417	1.1
165.09105	6.8
165.12743	2.1
167.07048	1.2
167.10599	1.3
171.11687	1.9
181.12248	8.4
182.74066	1.0
189.12752	4.9
193.59311	1.1
198.71643	1.2
203.87631	1.1
205.12294	1.6
207.10332	1.6
207.13828	20.8
213.03767	1.2
223.13124	1.7
224.10741	3.2
225.11443	1.9
225.14874	47.5
226.31364	1.2
231.05093	6.4
249.06071	2.1
311.54337	1.1
333.17133	1.3
437.18100	4.0
455.19376	5.3
473.20303	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	491.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.5
55.01878	7.3
55.05506	8.7
57.03423	4.9
67.05509	15.6
67.48381	2.7
69.03446	14.8
69.07074	9.5
70.06595	6.3
71.04996	7.0
71.55446	3.3
71.55816	3.3
73.02902	4.0
73.30122	3.2
78.89056	3.9
79.05471	17.0
81.03416	10.3
81.07062	18.3
83.04980	9.4
84.08165	4.6
85.02905	20.2
85.06544	4.1
86.09698	4.4
87.00817	4.0
91.05486	16.3
93.07045	15.2
95.04986	21.0
95.08589	14.2
96.03129	4.0
97.02902	13.6
97.06531	8.9
99.04454	4.5
101.06017	3.1
105.07037	25.5
107.04945	10.3
107.08619	17.4
109.02887	8.3
109.06509	13.1
109.10164	6.1
111.04435	6.6
117.06992	6.7
119.08587	29.3
121.06526	11.2
121.10163	16.8
123.04416	6.0
123.08074	9.7
125.06009	4.8
127.03915	10.8
128.06190	5.0
129.06982	4.2
131.04924	5.0
131.08598	17.0
133.06491	12.2
133.10117	14.2
134.03043	3.1
135.08046	10.4
135.11696	4.7
137.05997	12.1
137.09612	5.9
141.06931	3.4
142.07768	4.6
143.08592	15.6
145.05016	5.8
145.06485	10.5
145.10120	14.1
147.08028	16.7
147.11697	9.6
149.06015	9.9
149.09663	15.5
151.07513	3.6
156.09346	6.6
157.10129	11.3
159.08043	26.2
159.11613	5.0
161.05983	13.4
161.09637	9.2
163.07561	5.8
163.11218	4.2
165.07039	8.3
165.09087	5.9
167.07094	8.2
167.08743	4.3
167.10513	4.0
169.10039	5.4
171.08040	13.6
171.11728	14.4
173.09648	16.6
173.13150	7.0
175.07562	7.1
175.11208	13.2
177.09103	5.8
179.07051	7.9
179.08527	5.3
179.10712	4.9
180.09312	3.4
181.04927	7.5
181.10243	3.1
183.08121	3.9
183.11700	5.2
185.09648	10.3
185.13321	6.1
186.10381	4.7
187.07578	3.7
187.11125	9.2
189.09117	7.0
189.12747	6.0
191.14310	3.3
195.11694	5.2
196.08902	3.3
197.09645	24.3
199.07484	4.3
199.11217	15.8
201.09238	4.9
201.12814	16.4
203.10573	5.2
207.13814	8.7
209.15318	4.5
211.11180	4.3
213.09045	4.3
213.12703	10.4
215.10693	39.6
217.08583	4.8
217.12183	8.0
221.11665	4.4
223.11211	5.1
225.12833	7.3
225.14879	7.5
227.10674	5.9
231.10085	5.8
231.13770	4.7
239.10667	4.8
239.12779	6.2
241.12253	11.0
243.13795	6.5
243.15974	11.2
249.12631	4.4
251.14557	3.9
259.13330	100.0
261.11246	4.1
263.14420	3.9
265.15857	4.7
271.13327	5.0
277.14438	8.3
287.12665	4.9
289.14447	10.5
295.15366	7.6
301.14255	4.4
329.15231	3.5
331.15598	4.4
333.16873	6.4
337.17953	6.9
355.19067	8.0
361.16553	12.2
375.15442	3.6
389.19666	4.0
399.22079	3.3
407.18765	3.4
409.20187	3.7
413.23547	4.9
419.18372	12.2
437.19385	18.0
455.20581	50.5
466.71283	3.7
473.15497	6.8
473.21561	53.2
491.22754	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	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
54.00152	1.5
55.05513	3.2
59.67289	1.5
60.39923	1.2
65.98121	1.4
67.05495	4.5
69.03429	4.3
69.07062	4.1
70.30495	1.2
71.04988	6.6
71.56155	1.4
71.56532	1.5
75.92394	1.4
79.05479	6.9
81.03412	4.0
81.07057	6.6
83.05008	2.0
83.08620	1.5
85.02901	4.8
91.05477	11.1
92.05804	2.2
93.07045	10.9
94.07371	2.2
95.08612	8.8
97.02886	3.0
99.04463	15.7
103.05479	2.3
103.44558	1.2
105.07034	77.3
106.07330	2.2
107.08597	9.4
108.08937	2.9
109.02870	1.4
109.06514	3.1
109.10157	5.3
115.05500	1.9
117.06979	2.0
119.04842	1.5
119.08603	14.6
120.08898	4.2
121.06502	4.7
121.10159	5.8
122.10458	2.8
123.08072	9.4
123.11710	3.1
127.03895	2.4
128.04297	1.4
128.06184	2.8
129.06998	3.6
131.08546	6.2
132.95824	3.9
133.06491	5.5
133.10138	62.6
134.10481	4.0
135.11674	3.4
137.05942	1.6
141.06995	2.2
143.08635	7.6
144.08914	4.0
145.10115	9.9
146.10489	1.8
147.11661	4.0
148.12006	2.1
149.02354	2.0
149.09561	2.7
150.09886	1.5
151.07558	3.5
151.11195	4.2
154.62386	1.6
155.08496	3.2
156.09000	3.4
157.10127	8.5
158.10480	6.2
159.11674	5.2
160.11977	3.2
161.09630	40.8
163.11191	59.3
165.09088	3.6
166.09419	1.7
167.08630	1.7
169.10147	2.5
170.10522	2.6
171.11659	5.1
172.12048	4.8
173.13229	1.6
174.13596	2.3
174.96809	1.8
175.11102	1.6
179.10681	100.0
180.08963	2.3
181.10016	5.9
182.10518	4.8
183.11696	6.7
184.12016	4.8
185.13208	2.7
186.13609	3.2
187.11098	1.8
189.09071	14.2
189.12799	1.7
193.10123	1.4
194.10616	3.2
195.11534	7.1
196.12109	8.3
197.13158	4.1
198.13608	5.5
207.10173	14.7
208.12178	2.1
209.13159	6.3
210.13612	6.6
211.14815	4.4
212.15280	6.7
213.12680	1.9
217.12213	2.4
218.12654	1.8
221.13359	1.7
222.13721	3.1
223.14801	9.6
224.15198	16.7
225.11143	6.7
226.16721	2.5
237.16228	2.4
238.16760	3.9
239.17822	2.0
240.18433	2.5
241.05228	4.3
242.05540	3.0
251.17590	2.2
255.20778	2.4
256.14136	2.4
262.78152	1.4
265.15982	2.1
265.19458	3.6
266.16257	3.7
266.19919	7.6
270.15723	2.2
274.15280	1.7
280.21320	1.6
283.16794	2.6
284.06335	2.5
284.17303	2.9
310.19095	1.5
322.02563	1.6
325.21542	9.9
326.21976	30.4
344.08777	2.4
351.14404	4.8
369.15427	3.7
370.21170	1.9
388.21967	2.1
391.13077	1.4
430.23148	3.2
490.25003	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	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
53.73769	1.0
55.01866	1.7
55.05486	2.3
56.77940	1.0
57.03422	1.6
67.05513	1.1
69.03423	6.2
69.99789	4.6
71.04992	18.7
72.82697	1.1
79.05475	4.1
81.03407	8.5
81.07064	7.0
83.04958	1.1
85.02901	5.4
86.06064	5.3
91.05483	7.8
93.07043	7.6
95.04957	2.7
95.08597	4.7
97.02846	3.6
99.04459	49.2
103.05447	1.7
105.07030	72.3
107.04961	1.7
107.08586	5.6
109.02869	1.7
109.06509	3.8
109.10123	3.5
111.08054	1.6
117.07055	1.4
119.04904	1.8
119.08601	7.2
121.06482	8.3
121.10134	1.3
122.21020	1.0
123.08076	6.0
123.11727	1.7
124.60542	1.1
127.03915	1.8
128.06171	3.0
131.04919	2.9
131.08543	4.5
133.06487	11.7
133.10130	49.3
135.08131	1.8
135.11606	1.2
137.05972	2.6
137.09641	2.6
143.08582	7.3
145.06516	1.2
145.10153	5.7
146.07291	5.2
147.11670	1.3
149.09610	1.7
151.07536	3.7
151.11179	2.0
157.10118	1.8
159.08057	2.1
161.09618	100.0
163.11172	22.0
165.09109	11.0
166.09470	5.4
171.08057	2.0
179.09096	2.1
179.10681	39.4
185.09584	3.3
189.09117	15.1
203.10721	5.2
207.10182	23.6
207.13568	1.5
225.11163	17.1
231.10277	7.3
249.11288	3.8
267.12250	2.1
305.13855	1.3
315.12250	1.7
333.13336	2.6
351.14401	9.8
369.15497	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	489.3577
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03942	1.8
55.01878	0.9
55.05513	12.9
57.03430	2.7
57.07083	1.3
59.04998	2.2
59.05391	0.6
65.03941	2.4
67.05509	56.5
68.22894	0.6
69.03443	0.7
69.07073	10.5
71.04986	2.6
71.55130	1.0
77.03894	0.7
78.44466	0.7
79.05499	21.9
81.07062	31.8
83.04972	1.3
83.08621	6.1
85.06538	1.6
91.05490	19.0
93.07053	26.2
95.04977	1.7
95.08616	19.7
97.06541	1.9
97.10172	2.6
105.04566	0.8
105.07033	18.1
106.44936	0.8
107.08605	14.7
109.10168	33.4
111.08092	2.6
114.39951	0.8
117.07046	5.7
119.08598	18.2
121.10158	11.6
123.08102	1.5
123.11713	1.9
125.09665	1.1
129.07010	2.8
131.08588	11.3
133.10143	10.7
135.11714	6.3
137.09592	2.8
139.11177	1.5
141.06920	1.2
143.08540	4.0
145.10144	9.9
147.11688	8.2
149.09679	1.3
149.13280	3.3
155.08572	2.5
155.10645	1.8
157.10110	4.2
159.11685	9.7
161.13245	5.3
163.14838	1.8
167.07103	0.8
169.10178	2.2
171.11705	2.8
173.11748	9.0
173.13293	5.1
175.14842	1.4
183.11790	2.4
185.13289	4.4
187.14822	2.9
193.08577	1.2
197.13313	2.1
199.14873	2.3
201.16425	1.3
211.14915	0.9
213.14761	1.5
213.16545	1.3
223.14862	0.8
225.16333	1.2
232.86583	0.7
241.19704	1.5
243.21114	1.4
245.01212	0.8
245.19144	0.9
253.19711	0.9
259.20618	1.8
261.22260	2.1
273.22131	0.9
285.22040	0.9
299.23523	1.5
303.23325	0.9
313.25433	0.8
323.23679	0.8
377.27231	1.1
379.29883	5.4
391.28461	0.9
397.30972	7.6
415.32196	2.0
433.33347	1.3
471.34796	9.8
489.35773	100.0
490.35919	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20443	2.0
55.01868	3.3
55.05296	2.3
55.05506	22.8
57.03434	3.7
57.07068	10.3
67.05510	41.3
69.03442	14.3
69.06724	4.1
69.07070	50.6
69.98094	10.6
71.04983	7.3
71.08625	4.5
79.05494	24.2
81.03408	10.1
81.07063	98.4
83.04984	6.0
83.08628	25.6
85.02914	24.5
85.06537	18.5
91.05486	19.0
93.06487	3.1
93.07050	50.4
95.04957	8.6
95.08613	100.0
97.02882	13.6
97.06528	8.2
97.10162	15.0
99.04451	8.5
99.08084	6.0
103.05488	2.8
105.07040	36.9
107.08603	44.2
109.02883	6.7
109.06490	8.5
109.10165	79.8
111.08070	9.1
111.11726	15.8
113.09591	4.6
117.06989	4.7
119.08585	30.2
121.06521	2.9
121.10136	35.6
123.04445	2.7
123.08044	6.3
123.11707	38.4
125.06000	3.1
125.09686	2.7
125.13258	10.3
127.03917	11.7
129.06984	3.8
131.04843	2.4
131.08569	5.2
132.01076	2.5
133.06468	4.2
133.10123	21.0
135.07965	3.8
135.11687	33.1
137.05974	4.7
137.09660	16.3
137.13280	20.7
139.11124	5.4
143.08565	6.0
145.05006	5.4
145.10129	9.4
147.08061	7.4
147.11696	15.9
149.09610	4.1
149.13271	26.7
151.07523	6.8
151.14827	9.7
157.08772	3.1
157.10051	5.8
159.08060	3.4
159.11653	6.7
161.09637	8.0
161.13251	12.3
163.07521	5.0
163.11221	7.8
163.14844	16.3
163.45956	2.9
163.81088	2.5
165.09128	100.0
165.16376	2.7
167.07051	4.9
167.10625	3.2
167.14345	3.2
169.10074	5.8
171.11705	6.8
173.13322	3.4
175.14848	4.4
177.16353	8.4
179.10657	7.5
179.17894	3.1
181.04977	4.5
183.11639	5.8
185.13264	3.4
187.14804	3.4
189.09137	3.4
189.16415	3.6
191.07079	4.3
191.17929	14.8
203.17885	3.7
205.12257	7.9
205.15979	2.8
205.19485	2.6
207.10130	4.4
211.08717	3.2
215.10875	3.1
217.19585	18.2
223.13226	3.4
223.20500	2.8
235.20639	12.7
247.13277	2.4
247.24417	2.9
253.21608	8.4
273.25861	11.9
291.26920	13.5
301.66382	2.3
309.27661	3.9
314.34805	2.5
325.21768	2.5
337.23871	3.3
351.14401	4.1
354.68765	2.9
489.33133	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	489.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80288	0.2
53.03930	0.2
55.05515	1.2
57.03428	0.4
62.18406	0.2
64.94405	0.2
67.05508	4.9
69.03439	0.9
69.07064	1.1
71.04996	0.7
71.55471	0.3
79.05489	1.6
81.03410	0.5
81.07064	6.4
83.04978	0.8
83.08611	0.5
85.02902	0.3
85.06532	0.4
86.09664	0.2
91.05479	2.0
93.07057	3.5
95.04969	0.9
95.08612	8.7
97.02888	0.3
97.06531	0.7
97.10136	0.2
99.04377	0.2
99.08115	0.2
101.06032	0.6
103.05453	0.5
105.07045	1.8
107.04977	0.7
107.08592	2.3
108.67970	0.2
109.02827	0.2
109.06525	0.9
109.10162	9.8
111.08056	0.7
113.05975	0.2
113.09665	0.2
117.07011	0.8
119.04934	0.2
119.08589	3.7
121.06554	0.6
121.10162	1.7
122.07289	1.8
123.08074	0.7
123.11716	4.1
125.05999	0.3
125.09627	0.5
128.06212	0.4
129.05519	0.4
129.07019	0.3
129.09203	0.5
131.04904	0.6
131.08589	0.6
133.10124	1.9
134.65952	0.2
135.08061	0.7
135.11697	0.7
137.05997	0.4
137.09622	12.3
137.13245	0.3
139.07536	0.8
143.07063	0.2
143.08586	0.5
145.10121	0.9
147.04419	0.2
147.08058	0.7
147.11685	1.0
149.09633	2.9
149.13254	0.8
151.07555	0.5
151.11182	1.1
153.09108	0.7
153.12729	0.2
155.08534	0.2
155.10683	0.8
157.08676	0.4
157.10144	0.7
159.11717	0.8
161.09605	0.6
161.13295	0.5
163.11185	0.6
163.14873	0.6
165.09120	100.0
166.09491	0.5
169.10095	0.5
169.12283	0.5
171.11734	0.7
173.09608	0.6
173.11774	0.2
173.13240	0.6
175.07550	0.2
175.11209	0.8
175.14758	0.5
177.05490	0.2
177.09090	1.3
179.10721	0.7
183.10129	0.6
183.11668	0.3
183.23412	0.2
185.13298	0.3
187.11235	0.8
187.13281	1.2
187.14830	0.4
189.09103	1.1
189.12744	1.1
190.09892	0.2
191.10718	0.6
197.13249	0.3
199.11179	0.3
199.17000	0.4
201.11255	0.5
201.12813	0.3
202.71483	0.2
203.10692	4.2
203.14342	0.4
203.17914	1.3
205.12245	7.5
207.10196	0.7
211.14903	0.3
213.12741	0.5
215.10744	0.3
215.12703	0.4
217.12265	0.3
219.13719	0.3
221.18985	1.3
223.13260	1.6
223.20552	0.2
227.14328	0.4
229.12224	0.7
231.13745	0.3
231.17421	0.3
243.13799	0.4
245.15442	1.4
249.18526	0.3
260.11932	0.2
267.19540	0.8
273.22220	0.2
279.23245	0.7
289.21649	0.3
291.23230	0.7
319.22659	0.5
325.23859	1.5
337.23923	1.2
425.30417	0.9
443.31708	2.8
444.30673	0.2
453.29974	0.4
471.30920	1.0
489.18362	0.5
489.25473	0.4
489.32202	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
55.05507	8.6
66.66797	2.3
67.05504	9.7
67.53219	2.4
67.58160	2.9
69.03427	7.1
69.07069	8.3
69.77087	2.4
71.55717	3.1
71.56094	3.1
79.05495	10.0
81.03419	4.0
81.06642	2.5
81.07050	15.6
83.04993	7.3
91.05491	19.5
93.07036	16.0
95.04987	15.6
95.08611	22.4
97.06533	20.1
98.06872	3.5
103.05468	41.9
105.07037	24.4
106.07371	4.2
107.04944	3.8
107.08598	18.6
109.06540	6.6
109.10151	9.7
111.08102	2.7
115.05456	4.1
117.07021	7.7
119.08595	21.4
121.06516	6.3
121.10159	7.6
121.13723	2.4
123.08057	4.1
123.11706	5.1
125.09646	3.1
128.06216	9.6
129.07005	8.2
131.04932	100.0
131.08578	11.0
133.06487	7.7
133.10141	23.1
135.08040	8.0
135.11696	3.5
137.09636	5.1
141.06996	7.6
142.07803	20.0
143.08574	20.3
145.06497	5.8
145.10130	33.2
147.08130	4.2
147.11713	4.6
149.09608	10.4
151.11205	3.0
153.06952	2.5
155.08536	8.9
156.09343	9.1
157.10132	64.7
159.08148	3.2
159.11703	7.7
161.05980	3.1
161.09598	8.9
163.07532	5.3
165.06998	5.2
165.09172	5.2
166.07790	3.6
167.07088	5.3
167.08540	5.3
167.10692	7.1
168.09358	3.9
169.10144	11.4
171.08095	14.8
171.11717	22.0
173.09636	10.8
177.09215	3.2
179.07126	4.6
179.08543	14.4
179.10654	7.5
180.09351	9.8
181.04984	3.3
181.10139	14.0
182.10928	3.9
183.10193	4.7
183.11673	21.3
185.09724	4.9
185.13223	5.6
187.11176	4.8
191.08446	3.9
192.09317	10.6
193.10152	18.9
194.10902	8.6
195.11714	18.0
196.08820	3.5
196.12338	2.7
197.09554	6.0
197.13271	8.7
199.11276	6.5
201.12958	2.6
202.07747	3.0
203.08635	6.2
204.09290	5.3
205.10164	13.1
206.10974	14.9
207.11723	35.4
208.12520	5.5
209.13281	25.8
211.11142	4.2
213.12805	3.1
215.10616	3.6
216.09375	7.7
217.10185	23.9
217.12044	4.5
218.10901	8.5
219.11800	15.7
219.13722	4.4
220.12473	9.0
221.13268	36.0
222.13889	3.4
223.11217	5.7
223.14876	8.6
225.12804	4.2
227.14388	6.2
229.10092	6.1
229.12131	3.8
230.10892	9.0
231.11697	25.6
232.12456	24.9
233.09608	3.2
233.13284	18.9
234.14084	4.7
235.11270	2.7
235.14885	15.2
237.12752	4.3
237.16405	8.5
239.14278	2.6
242.11075	4.6
243.11737	16.1
244.12482	7.8
245.13304	25.6
246.14069	16.5
247.11203	3.2
247.14850	56.9
249.12767	7.9
249.16478	13.8
251.14278	5.2
251.18074	4.7
257.13303	24.8
258.14108	8.0
259.14886	8.9
260.15656	5.7
261.12723	4.2
261.13528	4.3
261.16394	36.1
262.17087	7.2
263.14270	16.8
263.17960	6.7
265.15958	6.3
267.13965	5.7
271.14929	3.7
272.15625	16.6
275.18027	25.1
277.19595	23.0
279.17410	8.6
281.15643	3.3
281.18866	4.2
287.17947	37.8
290.16559	4.1
293.18982	4.5
295.20731	3.0
299.20013	2.7
305.15335	35.4
305.19006	36.7
323.20016	43.4
341.20947	13.1
357.18878	2.8
403.19287	5.7
407.23651	3.3
435.22849	2.9
453.23746	4.2
457.22214	7.4
471.26361	2.8
489.26181	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	489.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.05515	3.6
57.07073	1.1
65.03932	0.6
66.21130	0.6
66.72679	0.6
67.05508	6.6
69.03429	0.8
69.07067	5.0
70.67427	2.0
71.01337	2.7
71.04980	0.9
77.03915	0.7
79.05491	5.1
81.07060	7.8
83.04987	0.9
83.08613	2.7
85.06554	0.8
87.66515	0.6
91.05483	10.3
93.07046	11.8
95.04948	1.1
95.08612	13.2
97.06515	1.0
97.10138	0.9
99.04424	1.1
103.05476	1.5
105.07040	20.0
106.34492	0.6
107.08599	21.5
109.06532	1.5
109.10160	9.0
111.08057	0.7
115.05451	1.8
117.07014	5.4
119.08585	23.6
121.06506	2.0
121.10149	12.3
123.08032	1.4
123.11716	1.8
128.06238	4.3
129.07011	7.5
130.07788	1.8
131.08585	14.5
133.10136	17.0
135.08051	1.7
135.11678	4.9
137.09557	0.8
141.07028	4.1
142.07796	7.2
143.08572	22.1
143.09692	1.0
144.09340	2.9
145.10127	22.2
147.11693	10.2
149.09627	1.5
149.13222	1.2
153.07004	2.6
153.09157	1.2
154.07811	1.8
155.08551	13.7
156.09346	5.7
157.10138	31.5
158.10945	1.3
159.08078	1.6
159.11696	19.3
161.09621	2.4
161.13255	4.1
163.07573	1.2
165.07010	4.3
165.09123	2.2
166.07767	2.1
167.08559	7.3
167.10715	0.8
168.09355	4.3
169.10133	19.3
170.10924	1.7
171.11707	16.2
172.12424	0.9
173.09616	2.3
173.13263	8.4
175.11192	1.7
177.09160	1.7
177.12755	0.7
179.08554	8.6
179.10640	2.9
180.09383	5.3
181.10133	22.8
182.10915	6.0
183.11694	22.7
184.12440	1.9
185.13268	8.4
187.11206	4.1
187.14746	1.7
189.12776	2.2
191.08472	0.8
191.10696	2.7
192.09311	1.3
193.10152	5.5
193.12112	1.4
194.10924	13.0
195.11714	31.9
196.12506	8.3
197.13266	26.9
198.14046	4.2
199.11165	2.2
199.14824	5.8
201.09143	1.0
201.12688	1.8
203.10696	2.6
205.10487	0.7
205.12230	4.5
206.10912	1.3
207.11722	5.2
208.12476	7.5
209.13266	30.3
210.14005	4.1
211.14835	26.1
212.15523	4.3
213.12825	1.2
213.16374	3.1
215.10722	2.3
217.12228	8.3
219.11830	1.0
219.13808	1.7
221.13266	6.3
222.14104	2.6
223.14822	61.8
224.15533	3.3
225.12871	1.0
225.16391	9.4
226.17131	1.7
227.10773	1.3
227.14235	1.2
229.12260	2.5
231.13792	4.9
233.13376	0.9
235.14827	2.3
236.15596	1.1
237.16415	11.7
238.17168	2.5
239.17982	10.2
241.12233	4.0
241.15942	1.2
243.13823	3.9
245.15350	1.0
247.14856	2.8
249.12813	0.8
249.16409	2.0
250.17264	2.3
251.14380	2.5
251.17953	4.5
253.19510	1.8
254.20372	5.6
255.13832	8.5
255.17468	1.5
255.21115	3.9
256.14569	1.5
257.15424	4.0
263.18054	1.9
265.15927	14.7
265.19522	31.0
266.20273	1.7
267.13751	0.8
269.15384	9.3
270.16080	1.0
279.17868	1.0
279.21082	6.4
282.16257	1.5
283.16931	13.1
283.20538	6.9
289.19482	1.3
297.18500	1.8
297.22095	2.3
307.20517	7.2
310.19397	1.1
325.21625	100.0
326.21915	1.4
343.22711	2.2
385.23688	2.9
387.21582	1.9
429.22873	3.4
446.42700	0.6
447.23477	0.8
489.24695	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69251	1.3
53.03939	5.1
55.01871	3.9
55.05497	2.7
55.10107	1.4
59.04980	1.7
64.64740	1.7
67.05501	6.0
69.03085	1.9
69.03434	20.0
69.07060	4.3
69.53544	11.2
70.06597	3.3
71.04972	1.8
72.08133	4.0
73.02930	2.2
79.05493	4.4
81.03419	8.2
81.07063	3.4
83.04989	10.5
84.04494	5.1
84.64326	1.5
85.02905	17.1
85.06536	2.3
86.09708	7.5
87.00851	7.8
91.05477	18.6
93.07043	59.2
94.42296	1.5
95.04971	6.8
95.08629	7.3
97.02872	7.7
97.06532	3.8
99.04443	3.3
100.07616	3.1
103.05469	2.7
105.01867	6.8
105.04548	2.6
105.07008	5.8
107.04908	1.7
107.08578	4.2
109.02879	5.7
109.06512	6.4
109.10154	2.0
111.08076	3.8
117.06979	3.5
119.04951	2.0
119.08571	3.9
121.06508	100.0
121.10113	5.7
123.08098	2.5
127.03925	10.7
127.07582	7.3
129.07014	2.3
133.10152	3.5
135.08067	1.8
136.07591	15.1
137.05974	2.8
137.09610	4.6
139.07547	2.7
145.05009	3.3
145.06184	1.3
145.10138	4.2
146.17943	1.8
147.08058	1.7
149.09630	10.9
149.13237	1.7
155.10666	6.0
159.11679	10.2
163.03906	1.5
163.11220	3.4
167.07051	16.2
167.10703	1.6
173.56029	1.9
175.11192	4.4
177.05516	2.3
177.12770	4.3
179.10722	7.9
182.08141	3.1
187.11168	6.9
193.12236	3.6
205.12244	65.7
206.12549	1.9
223.06015	4.9
223.13312	40.5
224.06355	5.3
231.04585	2.8
241.14244	2.8
243.07928	2.4
245.08183	1.9
266.58078	1.9
327.14371	2.7
360.12164	4.0
429.19388	2.9
489.19672	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	489.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.2
57.07061	2.4
59.62480	1.3
67.05508	8.9
68.71301	1.4
69.03419	2.1
69.07072	6.7
71.01334	3.3
71.04986	2.4
77.03924	1.6
79.05482	7.2
81.07053	10.8
83.08604	3.3
85.06549	1.5
91.05470	13.8
93.07041	12.1
95.08608	18.5
97.02879	1.6
97.06519	3.8
105.07037	19.1
107.08598	21.5
109.06484	2.3
109.10165	10.5
115.05424	2.2
117.06989	6.8
119.08584	24.3
121.06447	1.7
121.10160	15.0
123.08057	2.4
128.06200	4.8
129.06996	8.5
130.07799	2.2
131.08571	15.5
133.10130	19.7
135.11699	6.3
137.05998	1.6
137.09583	3.4
138.71709	1.3
140.82594	1.4
141.07010	5.1
142.07811	9.8
143.08574	23.6
144.09331	2.7
145.10126	25.5
147.07971	1.7
147.11687	12.1
149.02350	19.3
149.09663	1.9
149.13213	1.9
150.02673	11.1
151.03947	1.3
153.09151	1.5
155.08577	12.2
156.09386	6.5
157.10120	27.8
159.08041	2.8
159.11687	23.7
161.09666	2.8
161.13257	3.9
163.11171	2.1
165.06989	4.5
165.09117	13.8
166.07776	2.9
167.03362	1.4
167.08549	8.0
168.09325	4.6
169.10127	19.8
170.10849	2.6
171.11676	15.3
172.21686	1.4
173.02184	1.3
173.13258	8.4
175.11162	2.8
177.09026	2.2
179.08598	7.3
179.10614	6.2
180.09312	4.0
181.10123	19.5
182.11011	7.3
183.11684	21.9
184.12497	1.6
185.13202	9.8
187.11189	5.1
189.09068	3.2
189.12753	1.6
191.10686	2.5
192.21255	1.7
193.10121	5.2
194.10931	12.7
195.11707	30.5
196.12479	9.0
197.13260	22.9
198.14066	2.7
199.11162	2.0
199.14825	7.3
201.12685	1.7
203.10643	4.3
205.12228	4.1
206.10815	2.5
207.11719	4.3
208.12431	4.3
209.13257	30.0
210.14005	4.0
211.14813	27.1
212.15651	2.9
213.12863	2.4
213.16353	3.5
215.10614	1.8
217.12213	7.6
219.13770	2.6
221.13257	6.6
222.14165	2.5
223.09615	1.8
223.14824	61.6
223.17024	2.9
224.09991	3.8
224.15558	4.0
225.16318	8.5
229.12251	3.0
231.13762	4.9
235.14787	2.2
236.15532	2.0
237.12733	2.0
237.16389	10.7
238.17140	3.4
239.17992	9.8
241.12221	3.5
243.13802	3.6
247.14920	2.6
249.16319	1.8
250.17163	3.1
251.17900	4.9
253.19505	1.7
254.20274	6.1
255.13826	7.2
255.21083	3.9
257.15366	4.2
257.81543	1.5
263.17929	2.1
265.15894	15.0
265.19504	30.9
266.20255	2.7
267.13831	1.7
269.15308	9.5
279.21033	4.2
282.15927	2.0
283.16904	11.7
283.20563	5.2
289.19302	2.4
297.22324	2.1
307.20575	5.6
316.66763	1.5
325.21603	100.0
343.22726	2.2
385.23398	2.1
387.21765	2.2
429.22614	3.8
489.24438	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	489.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18224	1.1
53.03940	4.1
54.26137	0.9
55.01867	2.2
57.03435	1.7
57.07062	1.2
58.06590	1.0
59.04989	2.1
61.02905	2.1
67.05492	4.2
68.05009	2.3
68.26328	1.1
69.03136	1.2
69.03439	13.8
69.07061	1.8
70.06596	2.3
70.32344	1.5
70.32693	3.4
72.08123	1.3
73.02895	1.8
77.03923	1.5
77.95702	1.1
79.05481	3.5
81.03431	7.5
81.07045	2.0
83.04991	9.2
85.02910	15.7
85.06532	3.8
86.06063	6.8
86.09705	1.9
87.00822	6.2
91.05488	15.0
91.69433	1.2
93.07053	56.8
95.04965	7.4
95.08618	3.4
97.02890	8.0
97.06525	4.0
99.04479	2.4
103.05476	2.1
105.01893	5.4
105.04494	1.6
105.07034	3.8
107.08594	4.0
109.02868	5.7
109.06506	3.8
109.10163	2.5
111.08082	2.7
113.05977	1.6
117.01817	1.5
117.07026	2.1
119.04941	1.1
119.08578	2.3
121.06516	100.0
121.10155	3.4
123.08099	1.9
127.03934	10.0
127.07568	8.4
129.06993	2.1
131.08583	2.1
133.10097	2.8
135.07968	2.5
137.09607	3.6
139.07545	4.2
145.04930	4.3
145.10126	4.0
147.08017	1.6
149.09608	7.5
153.09114	1.4
155.10683	5.2
157.10037	1.3
159.02911	1.5
159.11684	9.6
163.11224	2.5
165.09164	1.1
167.07019	3.4
172.08672	1.1
175.11191	4.3
177.12756	5.1
179.10695	6.2
181.12109	1.3
187.11195	6.0
189.54512	1.1
193.12277	4.4
201.09956	1.4
205.12253	64.5
213.03896	1.4
223.13295	45.4
231.05145	1.5
241.14388	1.8
245.19135	1.2
429.19699	1.2
445.68478	2.2
489.19650	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	488.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01867	2.5
55.05496	1.8
57.03421	2.7
57.07067	2.1
61.02919	3.2
61.23249	1.3
61.74271	1.2
67.05488	2.8
67.60069	1.2
69.03426	10.9
69.07069	13.6
69.18055	4.1
69.18459	9.9
70.06569	2.6
71.04975	1.8
73.02899	1.6
79.05495	2.8
81.03405	5.4
81.07057	2.5
82.06573	2.1
84.08137	1.6
85.02908	28.1
86.06057	3.3
86.09689	3.9
91.05455	3.5
93.07029	5.5
94.06578	1.9
95.04987	2.5
95.08564	1.9
97.02901	9.4
97.06526	1.9
98.21548	2.0
99.04421	2.5
100.07606	3.8
105.07056	1.7
106.06517	2.6
107.04950	5.7
107.08601	5.7
108.08062	2.2
109.02872	4.1
109.06503	2.8
110.06023	5.8
111.08068	2.7
111.11712	4.0
113.48576	1.6
117.07012	2.4
119.07280	1.3
119.08585	3.8
120.08102	4.7
121.06493	1.9
122.06057	3.0
124.07589	4.2
125.06030	1.9
127.03929	8.4
129.12755	11.3
132.08078	2.8
134.05969	1.9
134.09625	6.2
135.04398	2.0
136.07584	11.1
137.05977	3.9
144.08086	4.9
145.04947	3.5
146.05974	5.0
146.09607	2.3
147.04399	1.5
147.13791	1.9
148.07558	11.7
152.07066	8.1
154.08656	2.0
157.10097	1.8
158.09694	2.1
159.08009	1.6
160.07579	4.6
162.09142	20.3
162.57176	1.6
163.03867	2.5
164.07089	5.1
164.10732	2.2
172.07553	19.7
172.11064	1.7
174.09149	4.4
176.07005	3.8
184.11246	2.1
188.07117	2.1
188.10770	2.0
190.02592	6.5
190.08641	17.5
190.15855	1.5
191.09399	4.2
192.10162	7.0
192.13899	2.0
198.12775	2.9
202.12318	4.5
207.55106	1.6
208.03584	2.5
211.09851	2.0
212.10710	3.3
218.15437	5.2
220.13391	3.1
223.03867	3.1
223.06029	53.2
226.12257	11.4
228.10313	2.3
228.13847	1.9
230.11734	4.4
236.16530	1.8
244.13300	4.2
246.14920	18.5
248.12875	2.5
254.11850	11.3
264.15939	27.3
272.12805	18.8
273.46503	1.4
290.13815	23.6
298.24881	1.4
308.14932	100.0
317.11444	6.6
326.16089	18.1
374.21756	2.8
475.65375	1.7
476.46179	1.7
488.20642	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	488.213
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	0.2
69.80614	1.2
69.80931	0.2
71.20071	0.2
79.05492	0.6
85.02916	1.2
91.05473	0.3
93.07058	1.1
96.57914	0.2
97.02913	0.3
97.06528	0.7
98.21562	0.3
98.97578	0.4
103.03966	0.3
103.05473	6.4
107.04953	1.7
120.08111	100.0
121.08462	0.5
125.05971	1.5
131.04935	2.5
143.07031	0.7
149.05991	2.4
161.08076	1.1
166.08647	61.2
167.08955	0.3
168.05431	0.3
175.04443	0.2
190.04921	0.9
199.05505	0.2
219.01759	0.8
237.02834	0.5
261.08054	0.4
319.06937	0.4
327.10208	1.9
327.21542	0.2
337.08020	0.5
342.10706	3.9
342.60797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
53.81120	1.0
55.01861	1.6
55.05504	1.4
57.03423	2.1
59.05001	1.4
61.02915	1.6
67.05496	2.4
69.03429	9.2
69.07066	5.4
70.06590	1.2
71.01330	1.7
71.04982	2.8
71.42651	2.0
79.04263	1.0
79.05492	2.8
81.03418	4.5
81.07028	1.5
82.06564	1.2
84.08111	1.4
85.02908	24.5
86.00633	1.2
86.09704	2.5
87.04471	1.3
91.05487	4.6
93.07050	5.7
94.06567	1.6
95.04958	1.4
95.08575	1.1
97.02908	7.7
97.06509	2.0
99.04450	2.6
99.10834	1.0
100.07588	1.8
105.07004	2.3
106.06561	1.4
107.04953	3.8
107.08601	2.6
108.08160	1.1
109.02882	4.6
109.06506	2.6
110.06027	4.9
111.11740	1.2
115.31622	1.1
117.07057	2.0
119.04955	1.5
119.08602	2.7
120.08121	3.0
121.06477	1.7
122.06026	3.5
123.08024	1.2
124.07573	2.3
125.05977	2.3
127.03907	5.1
129.12788	5.2
131.08583	1.2
132.08060	2.6
134.09663	7.8
136.07587	8.7
138.05461	1.7
140.07060	1.4
144.08054	4.2
145.04947	2.8
145.06534	1.0
145.10039	1.3
146.06009	4.7
146.09604	1.8
147.04359	1.3
147.06747	1.5
148.07600	10.5
152.07028	6.1
157.10008	1.3
158.09683	1.3
159.77475	1.1
160.07603	4.4
161.08231	1.1
162.03142	2.5
162.09138	20.1
163.03896	1.6
164.07062	4.2
164.10722	1.9
172.07579	17.5
174.09137	4.8
174.12830	1.4
176.07079	3.7
176.10814	1.1
178.08626	2.2
186.09164	2.0
188.07129	1.2
188.10657	1.6
190.02646	6.0
190.08635	13.6
190.15854	1.3
191.09398	3.0
192.10181	7.7
192.13741	1.9
198.12842	1.7
200.10719	1.7
202.12312	4.3
203.38599	1.5
208.03703	4.3
211.09833	1.8
212.10742	3.8
216.13873	1.3
218.15388	5.1
220.13332	2.8
221.48549	1.1
223.06015	64.7
226.12236	12.6
228.10129	2.1
228.13606	1.4
230.11740	6.3
236.16484	1.2
239.12827	1.1
244.13385	3.4
246.14909	18.2
248.12758	2.5
254.11752	11.7
264.15964	25.6
272.12784	19.3
290.13882	21.1
291.14206	1.2
308.14926	100.0
309.15381	1.7
317.11234	3.9
326.15991	15.1
488.20224	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	487.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.9
57.03457	3.5
57.05394	3.5
57.07070	8.7
67.05504	15.0
69.07072	11.8
69.46658	19.9
78.64029	3.1
79.05502	10.9
81.07061	29.1
83.08636	10.5
91.05505	10.3
93.07050	44.9
95.04949	3.4
95.08612	36.9
97.06537	3.2
97.10223	4.6
98.21469	6.1
105.07042	22.7
107.08598	48.8
109.10153	23.9
117.07021	6.8
119.08582	34.1
121.10139	28.8
123.08121	4.6
123.11740	17.5
125.09659	4.0
129.06984	5.0
131.08594	20.8
133.10143	26.6
135.11656	25.5
137.13289	7.5
143.08580	14.9
144.09366	4.9
145.10123	22.2
147.11690	27.0
149.13295	10.6
151.11208	4.3
153.09148	10.1
157.10136	23.4
159.11710	50.8
161.13284	23.5
163.14838	11.5
169.10121	11.2
171.11740	22.0
173.13264	30.4
175.14839	11.6
177.16426	3.5
183.11728	12.7
185.13292	25.9
187.14813	24.8
189.16391	8.1
197.13225	9.9
199.14824	24.8
201.16426	12.2
203.17918	4.5
209.13321	3.6
211.14874	12.9
213.16399	15.4
215.17975	13.1
223.14771	4.3
225.16289	16.5
227.17934	14.5
229.19563	6.4
239.18031	10.8
241.19537	4.8
251.18028	4.1
253.19443	3.6
255.21071	15.9
259.20688	3.4
265.19485	4.3
269.22595	7.6
273.22205	4.8
280.21555	3.5
293.22586	5.0
295.24228	67.9
311.23544	6.2
313.25174	100.0
314.26013	4.3
315.27826	12.4
340.21307	3.5
391.33664	5.4
409.35013	6.1
419.33026	34.6
437.34143	61.8
451.35693	28.4
469.36826	27.3
487.36377	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	487.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	12.8
57.07067	5.5
67.05511	15.9
69.07069	15.4
71.04986	8.2
79.05499	11.9
79.53717	2.9
81.07051	27.9
83.08615	9.3
87.04477	8.8
88.04765	3.4
91.05481	11.6
93.07053	31.1
95.08614	50.1
97.06533	3.7
97.10169	5.2
99.80263	3.4
105.07047	30.3
107.08599	45.4
109.10158	38.6
113.09657	22.5
113.10317	3.0
117.07024	7.3
119.08589	43.0
121.10154	29.3
123.11736	15.6
129.06984	3.4
131.08592	23.1
133.10138	31.2
135.11729	30.9
137.13252	9.2
141.12738	9.1
143.08569	10.5
145.10124	33.4
147.11696	28.0
149.13264	13.1
151.11102	3.6
157.10112	15.0
159.11722	43.3
161.13275	36.5
163.14812	9.9
169.10118	5.1
171.11711	17.8
173.13258	29.5
175.14874	24.2
177.16388	11.0
179.14322	9.7
181.13966	3.2
183.11691	4.8
185.13263	18.6
186.14072	5.5
187.14830	35.3
189.16406	9.4
191.14345	5.2
195.11732	5.1
197.13278	3.2
199.14824	13.8
201.16399	19.7
207.17545	3.5
213.16336	12.3
215.17946	11.3
217.19608	4.7
219.17548	6.5
223.14543	3.5
225.16391	5.1
227.17984	11.5
228.75261	3.1
229.19516	61.8
233.18999	4.8
239.18178	3.7
241.19571	19.8
247.20631	27.2
253.19624	6.3
255.21165	19.5
259.20493	4.1
269.22699	10.0
273.22141	9.4
287.23691	6.7
295.24332	8.6
313.25284	18.4
339.26846	4.4
341.28629	5.5
353.28546	4.3
391.33545	6.8
409.34717	100.0
419.33130	5.6
427.35724	51.5
437.33939	11.1
455.35303	29.5
469.36688	7.9
487.20926	14.5
487.36252	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	487.3421
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
50.86932	1.8
52.45942	2.0
54.01778	2.0
54.90363	2.2
55.05312	1.7
55.05521	17.9
67.05510	5.1
69.03423	2.3
69.07067	4.7
79.05492	4.7
81.07042	9.0
83.04987	100.0
91.05480	5.7
93.07050	8.7
95.04995	2.8
95.08619	12.3
97.06524	4.0
105.07038	6.1
107.08598	8.6
109.10154	5.6
117.07006	2.5
119.08573	7.8
121.05634	1.7
121.10167	6.6
123.08081	4.2
123.11693	6.7
131.08559	6.0
133.10178	10.0
135.08055	3.6
136.92644	1.8
143.08574	4.0
145.10136	7.7
147.07973	2.3
149.09717	3.1
157.10130	6.5
159.09427	1.9
159.11697	9.6
161.09711	2.2
161.13382	2.5
169.10226	2.1
171.11713	5.7
172.90207	1.8
173.13216	4.5
178.35280	2.1
183.11714	5.2
185.13286	5.8
187.11423	1.8
187.14868	2.9
191.10655	2.1
195.11710	2.1
197.13187	3.1
199.14761	4.7
211.14734	2.8
215.14505	2.0
217.15880	2.6
225.16422	2.1
227.14409	2.2
237.16386	1.9
269.09787	2.0
269.13287	2.2
309.22089	2.3
311.23538	3.0
327.17410	2.3
337.25262	4.6
339.26651	2.1
355.26306	2.9
401.21252	3.7
433.31058	5.3
451.32251	11.8
469.33182	32.8
470.33926	2.3
487.27304	4.6
487.34308	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	487.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.05515	17.0
57.07065	4.6
65.03941	2.3
67.05507	18.5
69.03425	3.5
69.07072	11.7
69.09425	1.1
71.04996	6.7
73.06554	3.7
79.05495	18.4
81.07059	41.2
83.04986	9.1
83.08612	7.3
85.06532	2.8
91.05477	18.6
93.07048	30.9
95.04983	4.8
95.08611	52.3
97.06544	5.5
97.10171	3.2
98.20708	2.4
99.08083	2.8
105.07033	39.0
107.08597	42.8
109.06533	3.6
109.10168	33.2
111.08095	12.4
113.09691	2.7
117.07016	8.9
119.08582	38.6
121.06538	1.7
121.10152	31.0
123.08081	4.6
123.11710	8.5
125.09641	2.9
126.98998	1.3
128.06247	2.1
129.07024	7.3
130.07828	2.2
131.08571	26.4
133.10129	30.3
135.08061	2.9
135.11690	14.8
137.09636	4.0
137.13277	2.4
139.11177	3.4
141.06964	3.1
142.07799	5.5
143.08572	17.7
144.09366	3.0
145.10126	42.3
147.08038	1.3
147.11687	22.9
149.09625	2.9
149.13245	12.8
151.11229	4.3
153.06947	1.3
154.07698	1.6
155.08548	7.9
155.10710	1.7
156.09358	4.1
157.10136	29.5
158.10919	1.7
159.08073	1.7
159.11699	40.4
161.09644	4.6
161.13258	21.0
163.11247	3.8
163.14827	5.2
165.12738	1.8
167.08574	2.9
167.10722	1.9
168.09366	2.6
169.10124	16.2
170.10954	2.4
171.11694	26.6
173.09732	1.7
173.13272	23.8
175.11230	1.2
175.14835	9.4
177.12698	6.7
177.16388	5.4
179.14345	3.3
181.10162	4.2
182.10921	2.4
183.11688	19.2
184.12498	1.6
185.13277	31.4
187.14822	21.6
189.12733	1.8
189.16391	9.9
191.14357	2.9
193.10130	1.9
195.11725	5.5
195.13861	1.5
196.12433	2.7
197.13275	17.3
198.13997	2.4
199.11179	1.4
199.14816	19.9
199.16559	1.5
201.12729	3.4
201.16347	11.4
203.14255	6.3
203.17987	4.9
205.15962	4.1
207.11783	2.1
209.13275	9.1
211.14810	16.3
212.15578	1.6
213.16412	15.3
215.14349	1.5
215.17891	8.5
217.15898	5.0
217.19589	2.6
219.17451	1.3
221.13318	1.4
223.14819	9.5
224.15628	2.3
225.16406	11.3
227.17966	20.4
229.15909	3.3
229.19443	2.4
231.17418	4.1
233.76375	1.3
235.14873	3.0
235.37663	1.2
237.16412	6.8
239.17943	10.3
241.19540	5.1
243.17503	4.5
245.15405	2.0
245.16516	1.7
245.18996	18.4
249.16483	3.4
251.18071	6.7
252.18799	1.8
253.19525	10.8
255.21191	4.1
257.18976	5.6
265.19589	4.4
267.21060	6.9
269.22757	1.2
271.20676	4.1
279.21182	4.5
281.22623	6.5
283.20612	3.1
283.24191	2.0
285.22180	3.1
291.20871	2.1
293.22598	14.3
295.21155	1.6
295.24191	6.8
307.24170	7.5
309.22067	2.4
309.25800	2.5
311.23709	17.1
313.25369	3.5
320.55756	1.3
321.25778	4.1
325.25177	7.4
329.24762	4.2
333.25873	2.1
337.25354	1.7
339.26849	3.1
347.27200	1.5
349.25403	2.3
351.26758	2.9
353.24603	2.4
355.26263	1.7
363.30505	2.3
365.28302	2.0
367.26349	3.1
369.27878	2.1
377.32065	1.7
381.31601	3.8
383.29471	2.6
387.19904	2.6
387.30420	2.6
393.31421	4.7
395.33179	1.3
405.31458	12.6
411.33054	6.7
415.28717	5.4
423.32614	23.3
433.30740	2.8
441.33472	7.4
451.31998	5.8
457.33054	2.8
469.33231	10.3
487.23380	3.0
487.34207	100.0
488.35004	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3419
Annotation	Cordialin A
Peak:m/z	Relative Intensity
50.70018	1.5
53.03956	3.2
55.05516	11.7
57.07075	2.4
59.04983	2.4
65.03935	2.4
67.05506	12.5
69.03429	11.0
69.07058	4.7
71.04990	4.6
71.56059	3.1
73.06562	1.7
79.05492	13.2
81.03416	3.6
81.07058	21.4
83.04965	8.8
83.08620	4.4
85.02903	1.8
85.06528	1.7
91.05477	17.2
91.54170	1.4
93.07037	24.0
95.04975	6.0
95.08605	22.9
97.06539	6.9
97.10148	2.3
103.05486	1.8
105.07032	27.0
107.04968	3.5
107.08600	25.1
109.06529	8.3
109.10157	11.4
111.04471	2.1
111.08069	8.3
113.09629	2.2
115.05471	3.7
116.06310	1.5
117.07004	9.3
119.08582	40.1
121.06487	9.9
121.10152	20.4
123.08067	7.1
123.11728	3.0
125.09676	2.8
127.07570	3.4
128.06245	2.3
129.07004	6.7
129.09178	1.8
131.08577	17.4
133.06543	3.4
133.10143	28.5
135.08076	7.9
135.11681	7.6
137.09631	18.5
139.07530	2.6
140.33914	1.6
141.07054	1.9
141.09076	2.4
142.07802	3.0
143.08554	15.2
145.06499	2.7
145.10118	25.7
147.08020	9.1
147.11679	11.3
149.09636	15.9
149.13251	3.4
151.07558	1.7
151.11179	1.6
155.08574	5.9
156.09326	5.5
157.10138	16.6
158.10928	2.1
159.08032	4.9
159.11682	18.3
161.09656	7.3
161.13306	6.5
163.11182	6.2
163.14917	1.6
167.08572	3.0
169.10107	10.5
170.10941	3.3
171.11691	21.0
173.09634	7.3
173.13235	15.5
175.11299	7.6
175.14877	1.9
177.12747	3.9
181.10156	6.8
182.10963	1.5
183.11707	12.7
185.09656	4.4
185.13237	10.8
187.11198	5.7
187.14868	6.5
189.12830	4.0
189.16451	2.1
191.14340	2.1
193.08603	1.8
193.10193	2.7
195.11710	7.4
197.09573	2.9
197.13274	13.8
198.10426	3.0
199.11247	6.6
199.14774	12.2
201.12766	5.1
201.16475	2.0
203.14336	3.0
203.17928	1.6
207.11812	3.7
209.13254	6.7
211.11247	4.1
211.14804	5.1
212.15503	1.8
213.12729	8.2
213.16420	5.1
215.14297	8.4
217.15845	5.4
219.11610	2.1
220.12427	1.8
221.13269	6.5
221.15205	1.8
222.14130	2.8
223.11232	2.4
223.14867	7.3
225.12793	2.7
225.16455	5.2
227.10754	1.9
227.17972	3.1
229.15942	3.7
231.17491	11.6
232.12206	2.2
233.13274	2.4
235.14874	3.3
237.16425	6.3
239.17996	3.2
241.15858	5.7
243.13831	2.4
243.17441	2.8
245.13278	2.9
245.15480	2.6
246.14088	1.9
247.14676	2.1
247.17026	2.2
249.16464	6.6
251.14296	2.0
251.17943	3.1
253.16022	3.7
253.19568	2.1
255.17403	3.1
257.19028	2.7
259.11118	2.4
267.08722	1.6
267.17496	5.8
269.19006	1.6
281.19131	2.1
285.18564	4.8
293.18967	2.0
293.22446	2.0
309.22241	5.2
321.22125	2.2
327.23325	2.9
335.23676	1.8
337.25055	1.9
339.23135	3.9
349.25269	3.1
349.48236	1.8
355.17007	3.4
357.24152	3.9
369.20709	7.8
369.27859	2.8
373.21698	3.7
379.26395	10.7
391.22659	4.8
393.28137	2.1
397.27393	26.2
401.26840	5.3
433.30911	6.8
451.32065	14.9
469.22269	3.8
469.33084	14.8
487.23444	18.6
487.34216	100.0
488.34494	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	487.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.01881	5.4
55.05503	17.2
59.04964	4.4
67.05510	28.4
69.03426	10.3
69.07059	15.3
71.04990	14.7
71.09332	4.9
71.09681	7.1
77.03898	6.7
79.05500	29.1
81.07054	47.3
83.04958	16.5
91.05496	30.8
93.07044	51.7
95.04945	13.1
95.08607	52.8
97.02925	4.2
97.06516	16.9
99.08064	5.9
103.05494	6.5
105.07041	57.0
107.04958	5.0
107.08604	63.9
109.06512	15.6
109.10159	30.7
111.08056	13.2
113.09624	32.4
115.05434	7.3
117.06998	12.7
119.08578	74.8
121.06528	11.6
121.10143	39.4
123.08066	18.6
123.11725	14.6
125.09643	11.8
126.24150	3.8
128.06219	7.6
129.07005	14.2
130.62024	4.1
131.04906	14.6
131.08575	43.0
133.06512	9.9
133.10141	58.8
135.08043	13.1
135.11691	21.0
137.09578	10.1
141.12700	5.2
142.07747	13.2
143.08563	43.1
144.09320	5.9
145.10135	68.8
147.08011	13.7
147.11702	31.9
149.09589	10.0
149.13271	8.4
151.11230	6.8
152.39023	4.9
155.08528	17.1
156.09357	15.4
157.10146	57.6
159.08041	11.7
159.11702	68.4
161.09616	12.3
161.13290	23.5
162.03258	3.9
163.11186	11.1
163.14861	7.7
165.09090	5.3
167.08588	6.2
168.09363	7.6
169.10104	32.5
170.10873	12.3
171.07994	7.7
171.11673	60.9
172.12120	4.8
173.09608	17.8
173.13261	33.9
175.11218	11.0
175.14819	12.6
177.09119	5.1
177.12764	5.8
179.08580	5.4
179.14337	7.8
181.10138	14.2
182.10860	5.6
183.11717	67.8
184.12447	6.1
185.09686	11.0
185.13243	65.0
187.11172	16.9
187.14807	23.9
189.12755	6.5
189.16402	13.5
191.14346	5.1
193.10191	9.8
193.15842	8.0
195.11702	15.0
197.09517	4.3
197.13278	30.4
199.11185	10.0
199.14790	40.9
201.12688	9.5
201.16354	13.4
203.14366	5.7
203.17896	5.1
207.11737	10.5
209.13281	22.0
210.13869	5.0
211.11194	9.5
211.14809	23.1
213.12729	17.4
213.16451	11.3
215.14381	8.9
215.17915	8.7
217.15829	15.5
221.13301	9.0
222.13968	5.1
223.11249	7.4
223.14807	13.3
225.12932	5.9
225.16379	23.0
227.14362	7.7
227.18050	9.9
229.12129	6.3
229.15863	12.5
231.17493	8.3
233.13228	9.9
233.15358	8.6
237.12657	7.2
237.16432	13.9
239.17908	7.3
241.15710	4.4
243.13812	12.8
243.17499	19.2
244.12479	5.8
247.11145	5.0
247.14781	6.7
247.17020	9.8
249.12656	5.0
249.16335	7.0
251.17924	15.7
253.19566	7.4
255.17609	5.8
261.12601	5.6
261.18536	14.7
263.17941	6.2
267.17316	8.0
271.20734	4.6
275.17920	4.9
277.15750	8.5
277.19028	5.3
279.13651	4.6
279.17422	7.1
281.18710	4.5
281.22604	5.0
289.15720	4.8
291.17355	4.3
291.21176	4.7
293.22543	19.4
300.19473	4.1
309.22113	8.4
311.23569	20.4
329.24951	5.7
333.18414	5.5
337.25214	11.6
339.19717	6.1
339.26797	11.7
345.18143	5.0
367.18921	4.7
369.20660	100.0
373.17737	5.2
393.31171	22.6
405.31601	28.8
411.32648	52.2
421.19910	6.0
423.32526	58.3
427.21112	7.1
433.31299	6.1
439.32214	4.4
441.33624	13.4
451.20737	10.1
451.31714	23.8
469.22128	12.3
469.32898	21.1
487.23050	92.2
487.34079	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	487.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01876	6.6
55.05497	10.0
61.09428	3.5
63.89457	3.3
65.18403	3.9
67.05502	18.8
69.03422	9.4
69.07053	8.5
79.05499	29.7
81.03410	17.0
81.07068	22.2
83.04964	9.0
88.10040	3.1
91.05482	24.4
93.07049	25.8
94.14081	3.8
95.04984	32.2
95.08600	17.0
97.06539	7.0
99.90247	3.4
103.05438	4.5
105.07047	26.9
107.04982	18.5
107.05616	3.2
107.08599	17.7
109.06508	17.6
109.10163	6.7
117.07030	12.4
119.08594	30.9
121.06517	18.1
121.10175	8.3
123.08099	9.0
128.06282	8.1
129.06989	11.2
131.04915	4.8
131.08582	24.5
133.06499	6.8
133.10121	19.3
135.08028	18.3
135.11662	5.8
139.07561	4.1
141.06973	6.5
142.07770	9.3
143.08502	18.3
144.09390	4.9
145.06502	9.8
145.10112	27.1
147.08052	21.0
147.11722	5.8
149.09653	9.5
151.07571	4.6
153.06952	3.3
154.07776	6.4
155.08563	15.0
156.09360	10.4
157.06552	4.2
157.10173	32.2
158.07339	4.2
159.08047	16.4
159.11688	23.0
161.09651	22.3
161.13332	4.3
163.07507	5.6
165.07021	4.7
167.08574	4.2
168.09325	3.8
169.10103	21.5
170.10899	8.2
171.08092	9.0
171.11688	39.7
173.09642	26.5
173.13255	10.3
175.11270	8.5
179.08498	4.7
181.10130	10.1
182.10928	4.1
183.11697	25.1
185.09637	13.0
185.13303	21.7
187.11215	9.5
189.09082	3.8
192.09409	4.5
193.10149	11.4
194.10925	5.7
195.11745	13.4
196.12251	4.1
197.09608	5.8
197.13203	19.6
199.11163	11.0
199.14825	5.6
201.12816	7.9
205.10242	4.1
206.10916	8.2
207.11708	14.9
208.12564	8.9
209.09680	6.7
209.13271	12.9
210.13994	4.1
211.11195	10.2
211.14883	6.9
213.12675	17.0
215.14441	7.0
218.10791	5.0
219.11687	8.3
220.12434	6.0
221.13318	17.3
222.14201	5.5
223.11296	6.9
223.14867	13.5
224.11884	3.4
225.12726	6.9
225.16409	6.1
227.14336	4.2
229.54955	4.0
231.11748	5.8
232.12466	8.5
233.13335	6.2
234.13954	6.3
235.11192	5.7
235.14819	12.1
236.15543	4.4
237.12746	8.7
237.16406	12.5
239.14291	9.6
247.15027	7.0
248.11696	4.3
249.12790	6.9
249.16357	12.3
250.13707	4.3
251.14272	6.2
251.17993	6.3
259.14880	7.4
261.12582	4.5
261.16394	7.8
263.14484	5.5
263.17767	5.3
265.15955	18.1
267.17349	4.7
275.14276	3.5
275.18008	4.6
277.16040	9.3
279.17459	9.0
287.14505	5.1
291.17459	14.8
297.18414	5.0
303.17322	6.9
305.18781	3.6
307.16788	6.2
315.17484	8.4
319.20648	5.0
331.16867	4.5
331.20419	3.8
333.18460	8.9
333.22223	10.4
337.17896	4.2
337.21710	11.5
343.20706	25.1
345.22034	31.5
347.20029	8.4
351.19986	4.9
355.20364	6.9
361.21524	25.4
363.23190	28.1
365.21140	8.4
369.20721	35.8
373.21661	38.9
391.22711	82.7
395.18472	7.3
409.19278	6.7
409.24390	17.3
427.25006	9.4
428.22638	4.4
437.19421	4.0
451.21048	8.1
451.31583	6.2
469.22229	29.8
469.32800	5.9
487.23233	100.0
487.34070	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	487.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.7
55.01860	6.4
55.05496	10.9
64.88307	2.6
67.05508	25.9
69.03423	12.0
69.07059	10.4
71.04982	4.5
71.55366	5.1
79.05502	31.2
81.03422	25.2
81.07066	27.5
83.04964	12.0
83.08666	3.5
85.06452	3.2
91.05485	24.0
93.07056	29.2
95.04973	43.7
95.08637	22.4
97.02940	4.3
97.06520	5.3
105.04462	3.3
105.07030	32.1
107.04950	20.0
107.08627	24.8
109.06506	23.9
109.10146	9.0
115.05451	4.5
117.07012	11.7
119.08572	37.4
121.06512	20.5
121.10140	12.3
123.08065	6.7
124.92181	3.1
128.06195	6.8
129.07040	16.6
130.07785	4.7
131.04918	5.4
131.08577	25.6
133.06487	6.8
133.10121	30.9
135.08018	10.4
135.11726	4.8
141.06984	3.6
142.07765	15.5
143.08562	21.5
145.06499	5.5
145.10117	27.2
147.08041	21.6
147.11676	9.7
149.09598	6.4
153.07063	4.0
155.08566	12.4
156.09340	15.9
157.10132	40.1
159.08063	21.6
159.11696	32.6
161.09625	25.9
161.13234	3.9
163.07562	3.6
163.11186	4.1
165.06956	5.7
167.08595	8.5
168.09343	4.4
169.10150	26.4
170.10846	8.9
171.08020	9.7
171.11679	51.7
173.09624	27.6
173.13237	16.9
175.11172	10.7
179.08522	6.5
180.09319	6.5
181.10115	14.1
182.10869	7.3
183.08060	5.0
183.11687	41.6
184.12404	4.6
185.09624	9.9
185.13235	26.0
187.11211	11.1
187.14851	7.4
192.09383	6.6
193.10168	10.9
194.10942	6.8
195.11711	19.2
197.09596	10.0
197.13348	20.2
198.10394	4.9
199.11197	17.7
199.14816	15.0
201.12721	11.2
205.10172	5.6
206.10913	9.4
207.11691	23.3
208.08844	3.0
208.12447	6.6
209.09784	3.7
209.13249	25.9
211.11195	12.1
211.14806	11.4
213.12811	22.3
213.16379	3.2
215.14175	3.7
217.10126	4.5
218.10919	3.4
219.11691	10.1
220.12457	8.9
221.13199	19.7
222.13988	5.7
223.11217	6.9
223.14821	13.8
225.12755	9.6
225.16417	8.2
227.14250	6.7
229.10077	4.1
230.10901	4.3
231.11664	8.9
231.13869	4.9
232.12466	7.6
233.09663	4.0
233.13206	8.9
234.13974	6.3
235.11174	4.1
235.14894	15.7
235.17134	3.1
236.15688	5.1
237.12646	7.4
237.16367	14.3
239.14285	8.3
239.17865	4.6
241.12137	3.8
241.15858	4.4
243.11604	3.5
243.13809	7.1
244.12350	5.5
245.13271	8.3
245.15417	5.8
247.10934	5.1
247.14815	8.8
249.12801	6.8
249.16371	11.8
251.14352	9.3
251.17944	9.7
253.15865	3.5
259.14816	6.5
260.15582	3.8
261.12695	9.7
261.16330	4.1
263.14178	6.0
263.17947	3.6
265.15900	15.1
267.14096	3.0
267.17313	7.5
273.12839	4.5
275.14227	5.7
275.17929	3.6
276.14871	5.5
277.15872	11.8
279.17435	6.0
287.17816	3.8
289.15869	7.7
291.17371	12.9
291.20844	4.4
293.18906	6.7
303.17325	4.4
305.18915	5.0
309.22131	4.0
315.17468	6.8
317.18924	5.3
319.20581	7.2
321.18494	4.3
331.20551	8.7
333.18344	10.5
333.22141	14.2
337.21646	10.0
343.20575	31.5
345.22122	41.2
347.20157	9.0
355.20529	8.9
361.21573	40.1
363.23206	29.3
365.21051	11.6
369.20627	65.5
373.17389	5.1
373.21640	47.1
379.22516	5.8
391.17764	5.0
391.22690	100.0
409.24014	28.2
411.32657	5.8
427.24713	10.7
429.22620	4.3
433.31274	5.9
437.19531	4.3
451.20959	4.4
451.31836	9.6
469.21994	10.1
469.32907	13.1
487.23169	43.4
487.33789	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	487.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
57.03452	1.8
69.03430	14.6
69.66462	5.2
69.66883	4.9
71.04994	3.7
81.03423	16.5
85.02914	4.4
86.09692	2.9
99.04474	5.3
145.07605	3.8
147.09174	6.7
149.09598	2.3
155.05931	1.9
165.88713	1.5
173.07152	7.8
175.08675	5.1
177.76001	1.7
191.08157	100.0
195.92542	1.7
246.61072	1.5
307.12921	26.0
325.13971	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.1
53.14855	0.9
55.01879	8.1
55.05508	2.5
55.78484	0.9
57.03448	2.1
61.02926	1.4
65.60021	0.9
67.05499	4.9
69.03435	17.8
69.07066	2.8
70.06609	1.0
71.01369	1.1
71.01900	1.0
71.02248	1.9
71.04992	3.3
73.02924	14.6
79.05482	4.5
81.03429	16.9
81.07063	18.4
83.01378	1.0
83.04994	5.5
84.08142	1.4
85.02909	11.1
85.06540	1.0
86.09724	1.9
87.04479	1.7
91.05482	2.9
93.07046	4.0
93.07587	0.9
95.04981	15.0
95.08601	3.5
97.02895	19.0
97.06543	3.8
99.00844	1.5
99.04470	6.8
101.02385	23.5
105.07046	2.3
107.05018	1.0
107.08598	2.4
109.02882	36.1
109.06525	20.7
109.10143	4.5
109.36193	0.9
113.05944	0.9
119.08579	2.5
121.06557	1.0
121.10148	6.4
121.43051	0.9
123.02537	0.9
123.04428	2.5
123.08076	2.8
123.11707	1.9
124.07584	1.1
127.03928	37.2
129.06976	1.3
131.08592	1.2
133.10143	3.1
135.11688	1.5
137.05994	9.8
137.09608	2.3
137.71475	1.0
139.11195	12.4
141.05484	3.8
143.03435	5.1
145.04984	3.9
145.10120	1.5
147.04388	2.0
147.08046	1.9
147.11694	2.0
149.09610	1.1
149.13158	1.0
151.07610	1.5
154.70766	0.9
156.10394	0.9
157.10150	1.2
159.11653	1.9
161.09682	1.7
161.13303	1.0
163.11261	1.1
165.05482	100.0
171.11710	1.4
173.04454	1.4
173.09747	1.2
175.11215	2.2
179.10701	1.8
181.05078	1.1
181.08690	1.0
183.06581	2.0
183.11818	1.7
185.09523	1.1
193.12213	1.4
209.04561	1.5
221.11737	41.3
222.11942	1.2
227.05522	5.4
227.20181	0.9
239.12796	15.8
239.16473	1.5
245.06567	1.9
247.13365	3.1
258.17166	1.1
281.13879	8.5
301.14468	1.3
309.92996	0.9
311.14706	1.4
329.13986	2.4
347.14911	28.9
356.55615	1.0
365.15991	27.9
367.66879	1.1
383.17160	2.1
410.77472	0.9
487.15207	1.7
487.20978	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	487.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.2
54.12487	2.8
55.01873	6.3
56.96565	17.6
57.03446	13.9
61.02929	7.3
61.50663	2.2
69.03439	39.9
69.53404	16.8
70.06613	11.4
71.05000	3.1
72.08163	4.1
73.02920	12.5
75.46903	2.8
77.92209	2.7
81.03416	9.9
84.04504	6.5
84.08141	4.0
84.96027	5.4
85.02911	100.0
86.03246	3.7
86.06107	2.7
86.09690	3.2
87.04462	11.8
88.04007	2.8
88.04794	2.0
89.03932	5.9
91.03967	4.8
91.05483	6.0
97.02904	37.1
97.06525	2.6
98.21490	3.0
98.97591	44.7
99.04468	9.6
100.07650	4.4
101.00902	5.8
103.03948	2.7
104.07108	14.0
105.03383	3.0
105.07529	3.5
107.04900	3.4
109.02880	10.7
110.97552	8.8
112.99153	3.0
115.03916	4.0
116.07089	7.6
116.98649	14.2
117.03365	5.2
117.05499	2.6
119.01928	12.4
119.04971	4.8
121.01670	2.9
123.74488	2.6
124.99103	5.2
125.88664	2.7
127.02466	4.1
127.03923	45.3
128.02335	3.0
128.98627	6.9
131.00217	5.4
131.01907	5.3
133.03494	4.5
135.04388	3.9
137.05984	5.3
143.00171	7.2
143.01920	22.7
144.02003	2.7
145.01773	3.0
145.02864	7.7
145.04985	41.4
146.99692	6.1
147.04420	12.7
149.01241	3.4
151.03957	4.0
154.03915	2.8
155.01910	15.0
157.03471	4.9
158.99678	13.1
159.05020	6.2
161.01172	4.3
161.02971	17.5
161.04135	2.3
163.02766	3.7
163.03877	14.5
163.06046	4.7
164.04178	2.7
167.01924	4.8
169.03424	5.6
170.99648	6.5
171.05110	3.7
173.01439	4.4
173.02972	16.4
174.03160	2.9
174.99239	3.4
177.00722	8.7
177.04095	3.9
177.05493	14.3
178.05836	2.4
179.02065	3.8
181.04994	9.2
182.05180	2.6
183.05058	8.1
185.01358	5.1
185.02989	19.6
185.06612	3.0
187.04536	19.4
189.00719	7.4
191.02330	2.7
191.03979	7.0
192.05602	9.4
193.00179	3.4
197.03053	6.8
201.00819	6.4
201.06076	2.8
203.04030	18.2
203.05667	3.0
205.05644	6.1
215.03992	2.9
217.03801	2.8
219.01764	10.6
221.03165	3.3
221.05090	7.6
225.06091	2.8
229.05553	6.3
233.05077	3.8
237.02789	11.2
243.01848	3.8
244.07033	5.9
245.05122	37.3
249.06352	3.1
257.05054	6.7
258.06857	4.9
261.02835	7.8
263.06140	16.0
264.07571	10.8
271.06900	3.0
273.08182	27.3
273.58322	3.7
275.06250	5.6
279.03879	5.6
281.07104	7.3
288.09531	2.9
289.07602	4.0
293.07095	2.7
295.06793	3.7
305.07294	4.1
307.08945	7.3
313.07642	2.3
316.08658	2.8
321.04782	4.1
321.10349	6.8
323.07181	2.3
325.11084	3.1
339.09488	2.8
349.09894	5.6
353.07150	3.0
354.10443	3.3
365.09357	7.0
367.08411	5.3
425.11459	10.5
427.10959	6.6
449.14182	2.5
469.14191	7.3
487.07617	3.4
487.11676	10.2
487.18240	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	486.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98935	0.8
53.03953	1.3
55.05504	2.8
55.48331	1.0
55.92452	0.8
58.06599	0.9
61.81294	0.9
65.03953	0.8
67.05508	5.3
69.03419	1.7
69.07064	3.1
69.25500	7.9
71.04968	1.1
71.58852	0.8
74.50272	0.7
78.62554	0.8
79.05496	10.1
79.81848	0.9
81.07061	49.5
83.04951	1.3
83.08621	1.5
91.05491	8.5
93.07050	10.3
95.04966	2.1
95.08615	10.6
97.06539	1.9
104.58118	0.8
105.07047	11.4
107.04924	1.0
107.08600	12.5
109.06532	23.5
109.10152	7.0
111.08091	1.2
115.05468	0.9
117.07005	3.4
119.08587	12.9
121.06505	2.1
121.10162	6.9
122.58808	0.8
123.08049	2.9
123.11711	5.2
125.09693	1.2
129.07025	2.7
131.08565	6.8
133.10155	8.5
135.08057	5.7
135.11725	5.4
137.09596	2.9
139.11182	1.0
142.07784	1.7
143.08574	5.7
144.09354	1.3
145.10135	9.6
147.11705	9.5
149.09645	2.6
149.13211	2.4
151.11046	1.6
155.08549	2.6
157.10129	9.0
158.10950	1.0
159.11710	10.1
161.09615	3.4
161.13272	4.3
163.11176	2.5
163.14821	1.9
169.10117	2.6
170.10898	0.8
171.11667	6.8
173.09642	1.2
173.13264	6.5
175.11169	2.1
175.14862	2.3
177.12766	3.4
179.10735	1.2
179.14185	1.9
183.11751	4.0
185.13235	5.5
187.14809	3.2
189.12755	2.4
191.14293	2.1
193.12195	1.4
195.11678	1.6
197.13226	2.9
199.14824	6.7
200.15489	1.2
201.12845	4.0
201.16356	2.3
203.14304	3.5
205.15805	1.4
209.13335	1.6
211.14781	2.2
213.16393	3.4
215.07391	0.9
215.14369	2.3
217.15929	1.4
221.13167	1.1
223.14845	1.5
225.16522	1.7
227.14279	3.5
227.17957	2.6
229.15816	1.4
229.19298	1.2
231.17387	2.5
235.14789	1.2
241.15848	1.8
243.17371	1.2
245.19034	3.2
245.23267	0.9
249.16225	1.2
267.17459	0.9
269.18936	1.0
271.20554	2.3
289.21585	7.1
292.01984	1.0
293.22803	1.1
309.22119	3.2
311.23679	3.4
327.23190	4.5
329.24765	3.4
335.23618	1.5
337.25238	2.4
351.26791	10.8
353.24875	2.1
361.24997	1.2
367.26410	1.0
369.27878	7.7
379.26355	13.0
397.27402	100.0
398.27728	1.7
414.30014	2.3
433.30795	2.1
451.31985	4.4
469.32971	3.5
471.87823	0.9
486.35529	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	486.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01862	1.2
55.05513	8.3
56.05031	1.2
57.03426	2.0
57.07061	1.7
57.98799	0.7
58.99591	12.9
59.05003	0.7
61.01146	0.7
61.02928	0.6
65.03946	1.3
67.05508	33.8
69.03426	3.1
69.07072	5.9
71.04990	2.4
71.55463	0.8
72.08154	1.2
73.01123	0.8
76.02232	57.7
76.04012	2.7
78.59134	0.5
79.05499	9.5
81.03411	1.8
81.07061	25.5
83.04967	2.6
83.06111	3.5
83.08625	3.1
84.04509	19.3
85.01120	1.1
85.02918	1.4
85.06528	0.8
86.06072	0.9
86.09719	0.7
86.99041	4.6
87.02691	1.9
87.73917	0.6
88.02210	0.9
91.05491	7.6
93.07045	12.9
95.04987	4.2
95.08613	45.7
97.02865	1.1
97.06541	1.9
97.10151	0.5
99.05579	1.5
105.07036	9.8
107.04920	0.7
107.08602	8.8
108.08137	0.5
109.05849	0.8
109.06531	4.7
109.10165	25.9
111.04451	0.7
111.08051	0.8
112.03969	0.8
113.04221	1.6
114.03754	0.5
116.01685	21.0
116.10732	0.8
117.07034	1.9
119.04916	1.0
119.08588	12.8
121.06543	1.0
121.10147	4.2
123.08080	4.3
123.11709	0.9
124.07616	0.6
127.03910	0.8
128.06223	0.7
129.06543	4.4
130.05011	5.6
130.06865	2.3
130.08650	0.7
131.08580	1.9
133.06499	0.9
133.10127	4.1
134.09666	1.7
135.08060	1.4
135.11684	2.1
136.98775	0.6
137.09625	3.6
139.05780	1.3
141.04816	1.0
141.07237	0.6
142.03249	5.1
143.08546	1.6
144.01158	11.2
145.06134	1.7
145.10104	1.8
147.08080	1.5
149.09636	0.8
151.14835	17.4
154.81223	0.5
157.10085	1.5
159.11627	1.5
161.09669	1.3
161.11989	0.8
161.13272	11.1
162.02217	38.7
162.13680	0.6
167.05208	1.0
170.02747	2.6
171.11729	1.1
173.09657	0.7
173.13382	0.7
175.14882	0.7
177.12708	0.9
178.15932	1.4
179.04865	100.0
179.14322	36.7
179.15596	0.8
183.11703	0.7
185.13242	1.5
187.05449	3.0
187.06970	0.7
203.14388	1.2
209.13525	0.7
211.11209	0.6
214.17982	0.8
215.04860	1.4
216.06860	1.6
233.05940	17.1
233.09544	2.1
236.14682	2.1
237.13065	2.4
245.05971	2.2
276.49680	0.7
290.17599	0.7
291.06482	1.9
308.09109	17.4
316.45447	0.6
324.19644	0.9
339.17401	13.5
340.15726	1.2
357.18484	2.3
362.22043	0.9
363.19775	0.6
369.04364	0.6
372.20325	0.8
388.19769	2.4
390.21527	2.4
393.18597	1.1
408.22412	1.5
411.19547	17.4
468.21436	5.6
486.22293	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	485.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.3
55.05510	9.3
57.07078	14.9
61.79912	1.3
67.05174	1.8
67.05509	26.5
69.07071	26.6
69.23590	10.6
70.06590	12.6
71.08637	8.0
72.08978	2.3
79.05505	10.5
81.07061	35.8
83.08620	10.1
85.10196	1.7
88.07633	12.8
89.07948	1.2
91.05490	9.5
93.07051	21.7
95.04995	1.2
95.08611	60.8
97.06558	1.2
97.10165	3.4
98.20692	1.9
102.09198	9.0
103.09556	1.4
105.07034	24.4
107.08600	38.1
107.50024	1.3
109.10162	68.3
111.11764	1.4
119.08586	32.2
121.10140	29.4
123.11713	34.0
131.08588	3.5
133.10133	24.7
135.11693	30.8
137.13272	7.4
145.10130	7.5
147.11694	33.6
147.12804	2.4
149.13266	16.2
151.14841	1.4
159.11708	8.3
161.13272	20.4
161.26205	1.4
163.14850	11.4
171.11716	1.2
173.12013	1.5
173.13275	7.6
175.14835	10.5
177.16443	3.9
179.14302	2.6
187.14827	6.7
189.16371	19.3
191.17958	9.2
200.20081	14.8
201.16408	5.0
201.20461	9.6
203.17984	17.4
205.19562	1.7
207.17473	18.1
213.16336	2.8
215.17982	4.4
217.19533	33.1
218.21358	2.0
219.21199	1.7
221.19156	1.9
228.23225	11.5
229.19510	3.1
229.23595	10.4
231.20900	2.0
243.21150	4.5
245.22597	3.0
246.24294	1.5
257.22684	6.1
259.24173	2.6
261.22186	2.4
271.24088	7.0
273.25888	1.8
283.23697	1.7
283.26563	8.7
284.26740	12.4
285.25912	5.6
297.25714	2.7
301.25394	1.9
311.29526	6.1
312.29767	16.4
315.27026	1.2
324.43539	1.2
337.28793	1.5
351.30475	1.9
369.31671	2.7
381.57184	1.2
407.36664	18.6
425.37857	36.1
485.47601	100.0
500.70908	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3632
Annotation	Methyl kulonate
Peak:m/z	Relative Intensity
53.03951	3.1
53.45601	2.6
55.05301	2.4
55.05520	19.7
57.07080	5.0
67.05512	24.2
68.05082	3.0
69.07078	25.3
71.55469	3.2
79.05508	22.8
81.07064	52.3
83.04975	3.4
83.08611	12.2
85.06548	4.2
91.05498	28.8
93.07058	66.6
95.04965	3.0
95.08620	77.9
97.10169	8.0
99.08078	3.3
100.75286	2.5
105.06400	3.9
105.07045	56.4
107.08609	62.2
109.06506	6.4
109.10157	38.0
111.08085	10.6
117.07007	12.8
119.07801	4.2
119.08595	56.9
121.06536	3.9
121.10157	49.7
123.08082	8.5
123.11732	16.4
125.09629	3.7
128.06218	3.6
129.07013	14.3
131.08591	35.6
133.10141	35.7
135.07988	2.8
135.11685	19.0
137.09615	3.5
137.13281	6.2
142.07820	4.9
143.08563	25.7
145.10136	71.7
147.08125	3.7
147.11708	40.8
149.09634	6.8
149.13277	25.1
151.11191	7.3
153.09103	10.2
155.08565	11.1
156.09355	5.0
157.10155	44.1
158.10730	4.5
159.11705	57.4
161.13264	26.3
163.07587	4.2
163.11258	3.0
163.14859	13.2
167.10664	3.2
168.09344	5.7
169.10150	28.0
170.10904	4.0
171.11687	34.5
173.09605	3.0
173.13280	40.0
175.11191	5.2
175.14877	16.7
177.12827	4.2
177.16368	3.9
181.10150	12.1
182.10912	5.8
183.11723	31.8
184.12337	2.8
185.13290	40.4
187.14835	30.3
189.16376	12.4
193.10162	4.3
195.11687	15.4
197.13272	32.1
198.14026	3.3
199.14830	33.7
201.12573	3.0
201.16426	20.9
203.14380	7.7
203.17894	4.0
205.12193	4.9
205.15863	6.8
207.11853	3.1
207.17439	7.5
209.13289	22.9
210.13879	2.8
211.14856	33.3
213.16428	25.3
215.17917	8.0
217.15981	5.0
219.13835	4.0
219.17409	6.5
221.13341	2.7
223.14883	27.4
224.15480	2.9
225.16412	26.9
227.17937	13.0
229.15912	9.8
229.19339	3.2
235.14851	4.8
237.16447	14.1
238.17125	5.7
239.17979	12.3
241.19548	8.0
243.17438	5.0
247.16991	6.0
249.16373	7.3
251.18008	20.3
253.19547	41.3
255.17583	4.6
255.21039	5.7
257.18890	3.6
261.18530	7.8
265.19498	8.0
267.20874	4.5
269.18814	3.3
271.20654	8.2
275.20303	3.2
278.20361	4.1
279.21188	7.3
281.22742	17.7
283.20679	3.7
283.24088	4.9
291.21103	5.7
293.22662	74.3
294.23337	7.5
295.20694	3.9
295.24048	4.9
297.22192	3.1
307.24045	3.4
309.22089	12.3
310.22559	5.4
311.23712	100.0
312.24347	7.4
315.22995	3.1
317.17831	4.2
327.22736	3.8
329.24631	11.3
352.23483	7.2
375.26584	3.3
377.28348	5.2
381.27850	3.3
389.32162	5.6
405.31601	13.3
407.33398	12.5
409.30960	9.3
417.31686	26.8
435.32608	45.0
437.34198	8.4
449.34146	40.1
453.33325	24.5
467.35492	47.6
485.19748	3.5
485.35999	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	485.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41288	0.5
50.79924	0.4
53.03941	0.7
55.05280	0.6
55.05511	3.1
56.55786	0.5
57.03441	1.0
57.07078	4.6
67.05502	6.3
69.07071	4.3
69.18861	1.7
69.19273	3.6
71.04986	2.2
71.08625	3.1
73.06541	0.8
79.05492	3.4
80.23947	0.5
81.07056	8.7
83.08642	2.6
85.06519	0.7
85.10176	2.4
86.71497	0.5
91.05488	4.2
93.07043	10.3
93.07631	0.7
95.05000	0.9
95.08611	18.0
97.10159	1.5
98.98476	2.9
99.08097	0.6
105.07032	8.6
107.08602	12.4
109.06477	0.7
109.10162	9.8
111.08095	1.5
111.11731	0.9
117.07009	1.5
119.07789	0.9
119.08589	9.5
121.10150	11.3
123.11723	3.9
129.07042	0.9
131.08580	4.8
133.10141	10.3
135.08055	0.7
135.11699	6.1
137.13251	1.5
139.07552	2.9
143.08603	2.8
145.10136	8.2
147.08035	0.6
147.11691	5.2
148.99786	0.9
149.09633	0.9
149.13293	2.5
151.11183	0.5
155.01047	2.0
157.10088	3.4
159.11694	7.0
161.09676	0.9
161.13239	4.5
163.11217	0.7
163.14853	2.1
169.10149	0.6
169.41849	0.6
170.10944	0.8
171.11685	2.7
173.13295	4.2
175.14871	2.9
177.16339	0.8
183.11719	1.3
185.13268	3.4
186.14073	0.7
187.14821	7.1
189.16417	2.8
191.17950	8.4
197.13306	1.3
198.14047	0.7
199.14857	2.4
201.16388	3.8
203.17986	2.1
205.15912	0.7
211.14886	1.0
213.16402	2.6
215.17970	1.2
217.19589	1.0
223.14929	0.5
225.16408	1.4
227.09030	0.5
227.18007	2.3
229.19499	1.3
239.17938	1.0
241.19585	2.3
255.21080	1.0
295.24216	2.7
297.25821	3.6
313.27481	14.3
335.27304	0.6
353.28333	0.6
355.30127	1.1
391.33853	1.0
402.95428	0.6
407.33228	1.1
409.34885	0.9
412.60339	0.5
435.32364	0.9
449.26965	0.6
453.33716	1.5
485.36288	100.0
486.36523	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3264
Annotation	Hypercalin C
Peak:m/z	Relative Intensity
53.03930	3.2
55.05492	11.0
57.03414	4.6
57.07053	3.0
67.05507	20.1
69.03425	8.7
69.07047	9.7
69.25145	25.8
71.04972	5.5
72.76236	2.6
79.05499	19.0
80.40921	2.7
81.07066	50.4
82.07392	6.6
83.04987	5.9
83.08609	4.7
85.06542	5.2
88.07523	2.7
91.05482	27.9
92.05788	2.5
92.89016	2.6
93.07048	31.5
95.04961	7.5
95.08617	34.0
95.85609	2.4
97.06505	7.3
97.10142	2.7
100.88554	2.7
105.07045	38.4
107.04953	6.2
107.08610	33.4
109.06531	28.0
109.10166	18.9
110.06842	5.7
111.08060	9.6
113.09618	4.8
117.06999	13.8
119.08598	40.6
121.06532	19.8
121.10152	23.2
123.08079	8.3
123.11716	6.0
128.06213	4.2
128.87578	2.9
129.07002	8.0
131.08603	25.2
133.06499	3.6
133.10132	29.5
134.10432	2.9
135.08072	17.4
135.11694	8.6
136.08348	3.3
137.09624	36.2
141.06995	3.4
142.07753	6.8
143.08574	17.4
145.06432	4.1
145.10127	29.5
147.08028	9.4
147.11725	17.4
149.09637	23.5
149.13251	4.0
151.11136	4.5
151.70868	2.5
155.08543	10.7
156.09320	4.4
157.10139	25.2
158.10507	5.0
159.08064	4.8
159.11700	24.6
161.09636	17.3
161.13255	8.9
163.11215	6.1
165.06961	2.9
167.08566	6.4
168.09430	2.7
169.10155	12.5
171.08112	3.4
171.11710	21.9
173.09602	7.1
173.13249	16.0
174.13440	2.8
175.11153	13.0
175.14883	3.5
176.11533	3.6
177.03271	2.9
177.12752	3.4
181.10094	7.4
182.10812	7.6
183.11751	14.1
184.12245	4.7
185.09634	2.7
185.13286	15.2
187.11186	7.9
187.14815	9.5
189.12711	9.4
191.14421	3.4
193.10161	5.3
195.11674	12.3
197.09520	3.0
197.13258	16.7
198.13951	4.7
199.11200	6.3
199.14761	11.6
201.12686	5.4
201.16338	4.3
203.14317	4.1
205.15918	3.1
209.13362	6.1
210.13925	3.1
211.14772	6.8
213.12671	9.0
213.16417	5.7
215.12473	2.5
215.14326	18.4
217.15904	5.7
219.11734	3.1
221.13159	4.8
223.14738	9.2
225.12726	3.8
225.16307	6.2
227.14291	5.5
227.17957	3.2
229.15820	5.6
231.13792	4.2
231.17567	3.2
235.14877	6.4
237.16399	5.0
239.17834	3.9
241.15816	6.9
249.16504	3.1
251.14128	3.0
251.17897	3.6
253.15901	3.4
255.17345	4.7
263.17828	3.0
265.15958	4.4
265.19485	7.0
266.20193	4.2
267.17596	3.7
267.20984	3.4
269.18875	3.5
283.16922	11.2
283.20261	3.1
288.20331	4.7
291.20953	5.1
309.21909	17.3
327.23123	11.0
337.21606	4.0
340.04001	3.3
349.25189	5.7
350.25510	11.5
355.22638	7.6
359.23608	4.7
367.26328	4.3
368.26498	6.2
377.24640	14.5
378.25241	6.8
395.25848	49.6
396.21445	4.8
396.26190	71.7
399.25140	10.0
413.27576	4.9
449.30405	10.7
467.31735	38.1
468.32083	4.1
485.32553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3264
Annotation	CHEBI:69005
Peak:m/z	Relative Intensity
51.02365	0.6
53.03939	1.3
55.01860	1.4
55.05263	0.6
55.05514	8.9
57.03429	0.9
57.07076	2.4
59.04996	1.4
65.03941	1.2
67.05508	12.3
67.29655	0.4
69.03429	3.9
69.06716	0.8
69.07066	10.4
70.60434	1.4
71.04997	7.1
73.06561	5.1
79.05495	9.1
81.07057	25.7
83.04980	4.1
83.08613	4.1
85.02897	1.0
85.06555	3.7
87.04459	0.7
91.04906	0.5
91.05482	13.2
93.07045	23.7
95.04978	2.4
95.08611	31.7
97.06535	6.3
97.10189	2.1
97.10722	0.4
99.08123	2.5
101.06007	0.6
103.05476	1.3
105.07032	24.8
107.08598	28.3
109.06517	6.8
109.10160	16.1
111.08084	11.9
111.11707	0.9
113.06029	0.8
113.09659	3.3
115.05460	1.6
115.07593	0.7
117.07018	7.2
119.08585	28.0
121.06520	4.0
121.10150	23.2
123.08072	8.9
123.11694	4.1
123.12285	0.4
125.09627	6.3
128.06230	3.1
129.07008	6.0
129.09131	1.9
130.07800	0.9
131.07579	1.1
131.08569	20.9
133.06483	0.5
133.10133	21.9
135.08061	5.9
135.11676	8.1
137.09621	8.7
137.13213	1.0
139.07556	1.0
139.11162	1.6
141.06956	2.2
141.09119	1.4
142.07784	4.7
143.08568	17.2
143.09686	1.0
144.09340	2.9
145.10126	29.6
147.08054	3.4
147.11690	16.4
149.09622	6.1
149.13271	5.8
151.07520	0.5
151.11218	3.3
153.06976	1.1
153.12785	0.9
154.07787	1.3
155.08568	6.6
155.10576	2.2
156.09334	3.2
157.10132	26.1
157.12267	1.8
158.10876	1.2
159.08157	2.4
159.11696	41.7
161.09639	7.1
161.13258	12.7
163.11203	6.4
163.14850	3.2
165.07007	1.1
165.09169	1.3
165.12761	2.0
166.07712	0.5
167.08568	2.8
167.10667	3.0
168.09340	2.8
169.10133	15.7
170.10921	3.1
171.08069	0.7
171.11697	21.5
172.12468	0.7
173.09621	3.7
173.13278	18.1
174.13832	0.5
175.11180	6.0
175.14792	5.5
177.12752	6.4
177.16399	1.0
179.08565	1.7
179.10710	0.8
179.14279	2.2
180.09370	0.9
181.10121	6.5
181.12244	0.7
182.10902	2.6
183.11702	21.5
183.13443	0.7
184.12488	1.7
185.09685	1.0
185.13264	27.7
186.14041	0.6
187.11209	4.3
187.14824	13.5
187.16440	0.9
189.12743	3.9
189.14333	0.5
189.14873	0.6
189.16354	3.8
191.14340	2.8
193.10150	2.1
193.12277	0.8
194.10919	1.3
195.11713	9.2
195.13673	1.3
196.12480	2.5
197.13281	14.4
198.14029	0.9
199.11198	1.9
199.14825	15.0
200.15454	0.6
201.12732	5.7
201.16368	7.5
203.14349	5.8
203.17973	0.8
205.10176	0.9
205.15878	2.4
207.11676	3.9
208.12512	1.8
209.13289	9.8
209.15286	1.1
210.14032	1.9
211.14845	9.9
212.15604	1.0
213.12682	2.1
213.16373	8.5
215.14345	5.6
215.17903	4.3
217.15883	6.4
217.19392	0.5
219.11655	1.0
219.13792	0.8
219.17456	1.5
221.13286	3.3
221.15324	0.7
222.14041	1.6
223.14807	8.8
223.16902	0.6
224.15569	1.4
225.13020	0.8
225.16383	16.3
226.17180	0.9
227.14432	3.7
227.17935	6.6
229.15866	4.0
229.19504	0.9
231.11676	0.7
231.13893	0.6
231.17383	3.4
233.13306	1.1
233.19031	0.6
234.14098	0.9
235.14876	3.2
235.16833	0.6
236.15643	1.0
237.16391	9.4
237.18617	0.7
238.17191	0.7
239.14326	1.2
239.15471	0.6
239.17929	7.6
240.18686	0.5
241.15926	4.5
241.19521	1.9
243.17444	21.0
245.15456	1.5
245.19067	2.0
247.14803	1.7
247.17036	0.9
248.15451	0.6
249.16551	4.1
251.18018	6.5
253.16010	1.0
253.19519	4.1
255.17499	5.1
255.20314	0.5
255.21129	0.5
257.19070	2.8
259.20627	0.8
261.16397	0.7
261.18591	6.3
263.18097	3.4
265.16382	0.7
265.19485	5.5
267.17368	1.9
267.21127	1.4
269.19092	4.5
271.20648	2.6
273.18576	2.1
277.19482	2.0
279.17651	1.2
279.21152	1.9
281.19009	2.5
281.22247	0.9
283.20462	3.4
285.18799	0.6
285.22119	1.3
287.20218	2.9
291.21106	2.8
293.19034	1.3
293.22684	4.0
295.20551	2.2
295.24265	1.3
297.18802	0.6
297.22162	2.0
299.20273	0.6
299.23694	0.9
301.21774	0.6
303.20813	0.5
305.22504	3.4
307.20572	1.6
307.24194	1.3
309.22113	9.4
310.22678	0.7
311.20187	0.7
311.23624	5.0
313.21506	0.6
317.22476	0.7
319.24286	2.2
321.22141	1.3
321.25708	0.6
323.23688	9.1
325.21817	1.0
325.25238	2.5
327.23312	5.0
329.25150	0.9
331.24319	0.8
335.23752	3.8
337.21466	0.9
337.25256	6.4
339.23181	0.8
339.26761	1.2
341.24747	4.3
347.23807	1.0
349.25244	3.1
351.23047	0.9
353.24762	4.2
355.22556	0.8
355.26288	5.8
361.29431	0.5
365.24829	1.4
367.26410	3.4
379.30057	1.2
383.25940	3.1
385.27975	1.3
391.29935	2.5
393.31961	0.6
395.25784	1.5
399.28577	0.7
403.29886	4.7
409.26376	0.8
409.31134	9.0
413.26877	13.7
421.30966	10.9
427.32132	11.1
431.29269	1.4
437.30643	1.7
439.32071	14.3
449.30493	7.6
453.32620	2.1
455.31436	3.5
457.33084	2.7
467.31564	5.8
485.32623	100.0
486.33066	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52036	5.7
55.00122	6.5
55.05497	19.7
57.07076	9.9
64.57944	6.2
67.05500	22.3
69.03425	30.8
69.07056	18.6
69.22672	69.7
79.05492	20.7
81.03425	11.2
81.07063	48.1
81.31946	6.8
82.31274	6.7
83.04981	7.6
83.08608	11.5
83.18131	6.6
83.56618	7.4
86.10010	7.4
89.32601	6.4
91.05478	32.9
93.07053	61.1
95.04977	17.7
95.08621	44.5
95.22498	6.9
97.06525	12.0
105.07056	50.2
107.08604	81.2
109.06487	11.9
109.10185	39.7
111.98667	7.2
117.06997	17.4
119.08572	74.2
121.06580	7.9
121.10143	56.1
123.08025	9.6
123.11715	15.0
125.77370	7.5
131.08592	32.3
133.10138	62.9
134.01862	5.9
135.08040	9.9
135.11716	57.1
137.13324	9.7
143.08557	14.4
145.10129	44.4
147.08107	8.7
147.11697	32.2
149.13243	15.2
155.08546	11.3
157.10132	30.3
159.11728	41.1
161.09575	17.3
161.13274	20.0
163.14827	19.4
169.10141	9.2
171.11723	21.9
173.09618	39.3
173.13260	25.6
175.11195	18.6
175.14833	29.4
177.12764	13.3
177.16402	13.9
183.11757	13.3
185.13214	15.0
187.14822	24.0
189.16418	35.1
191.10669	17.4
197.13272	11.9
199.14767	20.2
201.12650	7.4
201.16371	40.7
203.17941	16.2
211.14793	13.8
215.17973	12.8
227.14261	24.8
227.18034	10.8
229.19441	12.6
237.16142	9.4
239.17926	11.6
245.15302	7.4
256.26306	15.2
276.07898	6.5
295.24118	29.3
319.24130	15.0
345.25711	15.4
363.26886	100.0
381.27924	99.1
399.28876	70.2
449.30591	51.4
453.33371	11.9
467.31696	72.6
485.32111	14.8
485.41684	8.9
485.49606	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	485.3262
Annotation	Hypercalin C
Peak:m/z	Relative Intensity
53.03945	4.5
55.01860	7.4
55.05498	19.4
57.03445	5.2
59.04999	6.6
67.05507	32.4
69.03445	6.8
69.07074	28.4
71.04965	11.2
71.55419	8.5
77.40376	4.0
77.78297	3.9
79.05502	25.9
81.07063	50.9
82.07864	4.4
83.04993	6.7
83.08619	8.4
89.65968	4.9
91.05486	40.9
93.07047	100.0
95.04976	16.5
95.08049	7.5
95.08609	88.9
97.06515	17.5
99.08109	5.6
105.07043	57.1
107.08598	61.6
109.06538	10.0
109.10165	34.6
111.08089	30.7
117.07023	16.3
119.07802	6.0
119.08591	72.0
121.06482	9.9
121.10159	51.8
123.08056	14.6
123.11706	11.5
125.09617	11.9
128.06219	6.7
129.07019	14.6
130.07828	5.6
131.08589	44.8
133.10141	49.2
135.08060	13.3
135.11696	14.3
137.09630	13.1
139.07581	21.3
141.07016	7.9
142.07803	14.9
143.08591	45.4
144.09357	6.2
145.06419	4.8
145.09042	7.3
145.10135	78.9
147.08072	22.5
147.11696	32.9
149.09586	14.0
149.13286	7.9
151.11168	5.6
154.07819	7.3
155.08568	20.0
156.09320	10.8
157.10155	60.7
158.10912	5.5
159.08070	9.7
159.11713	58.8
161.09610	18.5
161.13274	17.4
163.11171	14.2
165.09108	8.2
168.09288	6.9
169.10136	28.9
170.10922	9.2
171.11681	42.0
173.09570	6.7
173.13289	25.4
175.11189	16.5
175.14787	11.8
179.08562	5.7
181.10100	11.0
183.11720	38.1
185.13280	62.8
187.11176	12.1
187.14807	23.3
189.12698	8.2
189.16388	6.5
191.10703	6.5
191.14287	5.6
193.10193	9.5
193.12308	5.4
195.11729	22.6
196.12523	6.4
197.13307	22.5
199.11183	7.0
199.14890	39.7
201.12663	10.1
201.16351	10.9
203.14288	10.8
207.11743	10.1
208.12531	6.4
209.13268	22.7
211.14871	21.8
213.16322	15.7
215.14400	6.5
217.15976	12.1
221.13290	15.0
223.14821	31.5
225.16408	19.0
227.17986	11.8
229.15804	10.1
231.17328	6.0
235.14870	12.2
236.41151	5.5
237.16339	19.3
239.17882	11.9
241.16037	6.5
241.19316	5.0
243.17412	19.4
251.17960	13.2
253.19464	8.0
255.17517	9.6
263.17911	6.2
265.19504	8.4
279.21179	6.6
291.21069	8.1
293.19312	4.4
293.22650	14.7
295.20465	9.9
307.20554	10.8
309.18896	4.2
309.22141	26.1
311.20166	6.0
311.23553	10.9
325.21561	15.0
327.23129	18.2
337.25244	6.3
349.25287	8.9
363.26743	12.3
365.24741	10.4
369.27939	10.8
381.27802	6.5
393.24139	6.6
395.25812	8.3
403.29999	7.8
413.26672	6.1
421.31036	10.2
427.28244	29.5
431.29257	11.0
437.30481	11.5
439.32138	10.0
449.30511	56.9
467.31625	93.6
485.25342	8.7
485.32562	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3265
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
53.03950	1.2
55.01863	0.7
55.05518	10.5
57.03445	0.7
57.07070	1.7
60.40679	0.6
65.03934	1.0
67.05173	1.0
67.05512	15.6
69.03427	1.6
69.04594	0.5
69.06725	1.2
69.07076	15.6
71.04987	1.0
72.08143	0.8
77.03902	0.9
79.05496	8.1
81.03400	0.7
81.07066	19.9
83.04990	8.7
83.08623	4.8
85.06548	0.7
91.05487	7.8
93.07047	15.0
95.04987	3.2
95.08615	47.2
97.06544	1.3
97.10162	1.4
99.08113	1.0
103.05470	0.6
105.04569	0.7
105.07039	9.4
105.92553	0.6
107.04955	1.5
107.07883	0.9
107.08604	13.6
109.06528	4.4
109.10167	17.4
111.04440	0.7
111.08079	7.1
117.07022	2.6
119.08591	11.8
121.06508	8.5
121.10150	12.3
123.08089	10.8
123.11713	23.6
125.09639	4.5
128.06258	0.8
129.06992	2.7
130.07843	0.8
131.08577	8.9
133.06508	1.5
133.10155	10.2
135.08080	5.9
135.11703	3.5
137.09587	3.5
137.13246	0.8
139.11211	1.2
141.06944	0.9
142.07802	2.5
143.08559	6.7
144.09413	1.2
145.06485	1.2
145.10135	9.7
147.08063	4.1
147.11719	4.8
149.09624	5.5
149.13263	1.7
151.11191	3.3
153.09149	1.3
155.08546	2.5
156.09355	2.1
157.10147	10.9
158.10881	1.0
159.08063	3.4
159.11697	8.9
160.08755	0.9
161.09624	4.4
161.13313	2.8
163.07568	1.4
163.11217	1.9
163.14720	0.7
165.06987	1.0
165.09114	1.5
165.12830	1.2
167.08524	1.4
168.09413	1.0
169.10136	6.1
170.10846	1.7
171.08052	1.4
171.11703	9.0
172.08838	0.9
173.09656	5.1
173.13315	5.2
175.11214	5.3
175.14845	1.5
177.09178	1.3
177.12749	4.3
179.08768	1.3
180.09369	0.8
181.10143	2.8
182.10948	1.5
183.08076	0.9
183.11728	7.9
183.28984	0.7
184.12434	1.0
185.09680	2.7
185.13246	5.9
187.11189	4.5
187.14821	2.4
189.09109	1.0
189.12822	2.8
189.16365	1.5
191.10667	0.8
191.14272	1.3
193.10201	1.6
194.11043	0.9
195.08034	0.8
195.11713	4.5
196.12553	1.5
197.09641	2.5
197.13223	4.4
198.10458	1.0
199.11226	2.4
199.14845	3.0
201.12785	4.2
201.16393	2.5
203.10744	1.0
203.14359	2.8
205.12250	1.1
207.11739	1.7
208.12469	0.8
209.13258	3.8
210.14113	1.0
211.11217	2.7
211.14854	3.6
212.12022	1.1
213.12740	1.9
213.16399	2.0
215.10739	1.2
215.14362	2.2
215.17949	0.8
217.12337	0.7
217.15854	1.0
219.11650	1.5
221.13283	2.5
223.11293	1.4
223.14796	5.5
225.12823	3.6
225.16408	5.0
226.13617	0.7
226.17216	1.7
227.10704	0.7
227.14354	2.1
227.17993	3.1
229.12244	1.2
229.15927	1.6
231.13763	1.0
232.12376	0.8
233.13309	1.1
235.14871	1.9
236.15729	0.9
237.12769	1.5
237.16458	1.9
239.14308	2.1
239.17966	1.6
241.15875	8.8
243.13885	0.8
243.17525	2.6
245.13336	1.2
245.19028	6.9
249.16351	1.8
251.14388	1.4
251.17987	2.4
253.15903	1.2
253.19603	1.4
255.17461	1.0
255.21228	0.8
257.19086	0.8
259.14822	0.9
259.17221	0.8
263.17981	1.3
265.15952	0.9
265.19598	1.1
269.18985	0.7
275.17908	0.9
279.21075	2.0
281.18814	1.2
283.17133	1.1
283.20343	1.4
289.16022	0.8
289.19601	1.3
290.20404	1.6
291.21280	0.8
297.22220	2.0
301.21603	0.6
307.20673	2.7
309.21991	1.0
325.21704	5.1
327.23297	0.7
339.23380	0.9
343.22696	6.9
349.21664	1.0
353.21274	1.2
365.24649	0.9
367.22803	1.1
368.13837	0.6
373.24091	1.0
375.30692	0.8
391.26300	1.3
397.23761	2.1
409.27676	1.2
421.31039	5.1
431.29388	1.7
439.32126	2.3
449.30487	7.1
467.31616	47.6
485.32663	100.0
486.33109	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	8.7
55.01870	1.8
55.05507	3.9
58.06603	1.7
67.05519	5.4
69.03429	1.5
69.07076	11.5
73.06553	1.7
79.05492	4.5
81.07059	7.4
83.04953	1.5
83.08620	2.1
85.06552	2.0
86.38544	1.0
91.05446	5.1
93.07047	7.9
95.04984	9.5
95.08596	8.5
95.74301	1.3
97.06532	5.0
98.21612	2.1
99.08069	1.6
105.03400	100.0
105.04532	4.4
105.07035	9.5
107.08613	11.8
108.08925	1.2
109.06540	10.3
109.10165	3.8
111.08086	3.4
115.07557	2.4
117.07009	1.6
119.08589	8.3
121.06496	2.5
121.10157	8.2
123.08097	2.2
123.11713	1.6
129.07028	2.2
129.09132	6.5
131.08597	5.0
133.10120	7.6
135.08076	6.4
135.11729	3.5
137.09601	2.1
141.07066	0.9
143.08553	3.3
145.10133	8.4
147.08087	1.7
147.11711	5.5
149.09624	3.6
149.13239	1.5
151.11182	1.5
155.08603	4.0
157.10149	5.6
159.11708	7.5
161.09605	3.2
161.13228	3.2
163.11174	3.3
168.95805	1.5
169.10118	4.6
171.11664	4.7
173.09662	1.7
173.13300	4.0
175.11212	3.8
181.10136	1.7
181.12238	5.9
183.11679	2.9
185.13269	4.3
186.96841	4.6
187.14824	2.7
189.12852	2.0
195.11714	2.2
197.13290	2.5
199.11301	1.0
199.14813	4.5
201.12764	1.6
201.16295	1.6
203.14279	2.3
204.97879	1.4
209.13187	2.2
211.14738	5.0
213.12704	1.2
213.16318	1.3
215.14355	1.8
217.15872	2.8
223.14781	2.8
227.18010	1.2
229.15839	5.4
229.19559	1.0
229.47615	1.1
230.16554	1.4
231.20975	1.2
239.14459	1.9
241.15891	3.7
251.17882	1.3
253.19485	1.8
269.19037	3.5
273.18472	2.1
277.19522	2.0
285.18954	1.1
285.22150	2.1
287.20078	1.9
295.20578	8.8
311.23135	1.2
313.21582	14.1
313.25208	1.6
313.26550	1.6
317.17914	3.9
319.22702	58.9
327.23230	2.8
331.22653	2.7
335.19012	1.7
345.24246	30.3
363.25311	6.8
417.23898	1.6
435.25421	2.0
435.31848	1.1
471.17767	1.3
485.19003	3.2
485.31326	1.5
485.38510	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	485.3264
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
53.03232	0.9
53.03942	1.3
55.01867	1.5
55.05515	11.7
56.53261	0.9
57.07068	4.3
58.55497	1.1
60.76279	0.9
65.03932	1.0
67.05177	1.1
67.05513	16.1
69.03432	5.6
69.06727	1.0
69.07073	11.9
69.21558	9.5
71.05002	6.9
73.06555	4.6
79.05498	15.0
81.06587	1.5
81.07065	31.2
83.04982	4.0
83.08607	6.5
85.06545	3.4
91.05482	16.7
91.06014	1.6
93.07047	31.9
95.05001	5.2
95.08614	38.0
97.06541	11.2
97.10188	2.1
99.04449	1.0
99.08112	3.2
103.05468	1.7
105.03349	1.1
105.07035	30.4
107.07869	1.7
107.08603	32.7
109.06519	4.0
109.10162	21.3
111.08088	16.9
111.11721	1.6
113.09670	1.5
113.50456	0.9
115.05451	2.1
116.06207	0.9
117.07027	9.1
119.08594	37.6
121.06500	5.6
121.10146	26.9
123.08092	11.9
123.11717	6.9
125.09653	6.5
128.06235	2.9
129.07005	7.2
129.09108	1.5
130.07770	1.0
131.04968	0.9
131.08578	24.6
133.06525	1.1
133.10135	29.0
135.08057	8.2
135.11719	11.6
137.05997	1.1
137.09621	10.3
137.13252	2.6
139.11182	2.2
141.07056	3.0
141.09094	1.8
142.07803	4.8
143.08580	21.4
144.09323	4.3
145.10130	34.5
147.08040	5.3
147.11693	19.9
147.12788	1.5
149.09624	7.5
149.13242	7.6
151.11215	3.2
153.06961	1.2
153.09203	1.0
153.95393	1.0
155.08580	8.8
155.10712	1.4
156.09329	6.7
157.10135	33.7
157.12173	1.6
158.10910	2.2
159.08067	3.1
159.11703	48.6
161.09628	9.6
161.13272	18.0
163.11206	6.6
163.14856	4.3
165.07007	2.4
165.09158	2.0
165.12726	2.5
167.08574	3.9
167.10712	2.4
168.09344	3.6
169.08725	2.1
169.10117	20.6
169.12244	1.0
170.10922	3.7
171.08128	1.2
171.11696	28.3
172.12376	1.1
173.09666	4.0
173.13274	21.9
175.11153	6.9
175.14816	6.2
177.09177	1.5
177.12753	8.6
177.16376	1.8
179.08539	2.6
179.10715	1.0
180.09456	1.5
181.10138	7.2
182.10954	3.6
183.11711	25.3
184.12442	2.2
185.09775	1.7
185.13275	33.4
187.11195	5.4
187.14824	16.6
189.12782	4.5
189.16406	4.3
191.14389	3.6
193.10139	3.7
193.12238	1.3
194.11015	3.1
195.11696	13.8
195.13457	1.7
196.12483	3.8
197.13307	18.3
198.14034	1.6
199.11211	2.9
199.14828	21.1
200.15651	1.2
201.12830	5.9
201.16380	8.6
203.14323	7.4
203.18011	2.0
205.15944	3.7
206.10925	1.4
207.11732	5.5
208.12495	1.9
209.13278	13.1
209.15155	1.9
210.14076	2.7
211.14850	14.6
213.12933	1.7
213.16380	13.1
215.14388	5.8
215.17924	4.9
217.15903	6.7
219.11781	1.6
220.12617	1.3
221.13281	4.4
222.14079	1.3
223.14839	12.8
223.16913	1.2
224.15665	2.3
225.12862	1.8
225.16400	20.5
226.17099	1.8
227.14336	3.6
227.17955	7.8
229.15903	5.0
231.17451	4.8
233.13168	2.8
235.14928	5.9
235.16911	1.5
236.15668	2.5
237.16403	10.9
239.14302	1.3
239.17955	10.9
241.15915	3.7
241.19524	2.5
242.16241	1.1
243.17474	21.2
245.19048	2.2
247.14867	1.6
249.16470	3.5
251.18039	8.6
253.15901	1.7
253.19559	5.4
255.17383	7.4
255.21321	1.5
257.19080	2.6
259.17133	1.4
261.16275	1.5
261.18582	6.5
263.18030	4.3
265.15866	1.3
265.19592	6.0
267.17447	2.5
267.21078	2.3
269.19052	5.5
271.20673	2.2
273.18524	2.2
275.18079	1.3
277.19498	1.9
279.20926	2.2
281.18961	2.4
283.20590	2.8
285.22098	1.8
287.20081	1.5
289.19284	1.1
291.21072	6.1
293.19385	1.8
293.22690	5.5
295.20578	3.0
295.23996	2.0
297.22125	4.4
305.22641	4.1
307.20490	2.6
307.24237	2.6
309.22150	16.2
309.25592	1.2
310.22760	1.3
311.23798	5.3
319.24063	2.7
321.22269	2.2
323.23688	9.0
325.25320	2.9
327.23300	12.8
329.25076	1.4
331.24158	1.1
335.23721	2.8
337.25189	9.0
339.26877	1.4
341.24829	3.6
347.23737	2.0
349.25238	2.6
351.26779	1.2
353.24820	4.1
355.26465	8.6
365.24786	2.3
367.26334	4.4
379.30109	4.1
383.25842	2.7
385.27728	1.5
391.29904	3.9
393.31564	2.2
403.30139	6.8
409.31140	11.3
410.31418	1.1
411.32825	1.6
413.26855	8.7
419.29721	1.5
421.25873	1.5
421.31058	16.6
427.32339	11.5
431.29599	2.5
437.30429	2.3
439.32141	18.1
449.30618	11.6
455.31601	4.7
457.33231	2.9
467.21368	1.3
467.31589	18.0
485.32645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.01873	16.9
55.05505	4.3
57.31632	1.6
59.05003	1.3
65.03940	2.6
67.05508	10.3
69.03436	6.7
69.07063	5.8
71.04996	2.2
79.05502	21.7
81.03421	15.7
81.07064	17.1
83.04967	3.9
83.08627	1.5
91.05490	26.6
93.07043	21.8
95.01345	3.9
95.04971	18.3
95.08611	11.5
97.06534	4.3
98.20740	3.8
103.05462	2.8
105.06310	1.6
105.07026	32.2
107.04979	10.6
107.08601	25.4
109.06512	17.1
109.10160	6.9
111.08090	4.0
115.05433	8.8
117.07022	25.2
119.04957	2.4
119.08588	43.5
121.06511	13.8
121.10155	11.3
123.04431	1.4
123.08087	7.3
123.11692	2.5
125.06017	2.5
125.09779	1.6
128.06209	8.3
129.07008	22.9
130.07822	3.6
131.04927	3.4
131.08585	20.0
133.06500	12.4
133.10132	26.1
135.04440	1.9
135.08057	30.6
135.11658	3.7
137.09630	4.1
139.07596	1.4
141.07025	5.3
142.07765	9.4
143.08582	18.9
144.05696	2.5
144.09296	2.6
145.06471	9.0
145.10129	26.9
147.08055	100.0
147.11671	7.8
149.09627	12.8
152.06233	1.7
153.07005	2.8
154.07809	3.5
155.08568	11.1
156.09367	10.5
157.06537	1.4
157.10130	27.0
158.07281	5.8
158.10910	2.4
159.08069	18.4
159.11700	17.4
161.05991	8.0
161.09631	19.5
161.13289	3.7
163.07553	57.0
163.11174	5.0
165.07050	6.2
165.09085	3.7
166.07719	1.6
167.08569	6.6
168.09410	2.9
169.10133	11.6
170.10895	5.2
171.08081	8.6
171.11684	34.6
172.08948	2.0
172.12325	2.6
173.05971	2.8
173.09633	30.5
173.13268	15.2
173.74933	1.4
175.07549	7.2
175.11189	11.1
177.09146	4.8
177.12704	2.8
179.08583	4.7
180.09369	2.8
181.06406	1.7
181.10132	5.6
182.07344	1.6
182.10931	6.5
183.08150	2.3
183.11690	12.9
184.12440	1.6
185.09625	9.9
185.13220	12.5
186.10365	1.4
187.07607	3.0
187.11197	13.2
187.14787	7.0
189.09116	6.9
189.12782	4.1
191.10681	2.7
192.09402	3.0
193.10159	5.6
194.10934	3.9
195.07982	2.0
195.11746	9.1
196.08885	1.9
197.09633	7.5
197.13292	14.0
199.11177	9.8
199.14822	5.2
200.11922	2.2
201.09119	7.8
201.12726	9.3
201.16472	1.7
203.10620	10.5
203.14328	3.2
204.09312	1.7
205.10141	3.2
205.12163	2.8
206.10912	3.1
207.11703	7.4
208.12552	2.1
209.09671	3.5
209.13219	9.2
211.11244	7.2
211.14821	5.7
213.09192	3.0
213.12769	13.8
213.16237	2.2
215.10701	6.5
215.14278	14.9
217.10208	2.7
217.12163	3.5
217.15910	2.2
218.10915	2.3
219.11795	2.4
220.12492	2.1
221.13287	4.7
222.14116	1.9
223.11218	5.7
223.14854	6.4
225.12810	6.2
225.16458	2.7
227.10736	1.9
227.14378	6.0
229.12189	8.5
229.48973	1.6
230.10989	1.5
231.11894	2.7
231.13855	5.5
232.08672	1.6
233.11482	6.8
233.15396	3.2
235.11211	2.3
235.14796	4.7
237.12788	4.2
237.16444	3.8
239.10710	1.6
239.14345	4.3
241.12279	5.1
241.15849	1.9
243.13841	6.6
245.15416	1.9
246.10529	1.5
246.14211	1.6
247.11122	2.9
249.12724	4.3
249.16344	1.7
251.14555	2.3
251.17924	1.5
253.15825	3.0
255.13907	1.6
259.11008	2.8
259.13370	5.7
261.12631	2.5
263.14355	3.4
265.12262	1.6
265.16037	2.6
267.13882	2.4
267.17419	1.4
269.13074	1.7
272.11905	1.5
273.12674	2.3
274.13684	1.6
275.14459	2.3
277.15881	3.3
279.13797	2.1
281.15524	2.5
282.16232	1.5
283.16879	1.5
284.11688	1.7
287.14194	2.1
289.15744	1.7
291.17508	2.1
293.14505	1.7
293.18878	2.9
295.16943	2.4
301.15720	3.4
303.17477	2.6
309.22003	1.5
313.15372	2.4
313.18265	4.1
315.17545	2.2
317.19037	4.3
327.17325	2.3
328.18329	2.4
329.15250	1.6
329.19000	2.1
333.18622	1.9
333.22165	2.5
335.20334	1.7
338.16797	2.1
341.19141	1.8
343.20483	9.6
345.18396	5.1
345.22357	4.5
349.21283	1.7
351.23370	1.5
353.18924	3.1
359.20023	4.1
361.21652	15.6
363.19388	4.8
365.21259	2.2
371.20026	13.7
373.20035	1.6
377.21078	5.8
379.22751	5.8
389.21140	39.9
391.20999	3.4
395.21756	2.0
395.26117	2.4
407.22168	36.6
423.21854	1.9
423.28931	2.5
425.23251	13.9
431.22287	3.0
449.23257	6.1
449.29745	3.0
467.24307	14.5
467.31531	5.4
485.25290	30.6
485.32614	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	485.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03988	6.6
55.01866	8.7
55.05510	11.4
67.05507	33.1
69.03427	14.4
69.07070	14.7
71.54998	5.3
71.55417	11.1
72.08208	5.8
79.05510	39.2
81.03413	28.9
81.07061	22.0
83.04961	20.6
85.02895	26.4
91.05473	54.8
93.07040	47.2
95.04974	62.5
95.08614	25.3
97.06555	9.0
103.05449	8.0
105.06392	6.8
105.07044	68.3
107.04964	15.7
107.08616	41.0
109.06535	30.1
109.10159	18.3
115.05443	7.3
117.07037	30.6
119.08599	76.0
121.06493	29.6
121.10138	29.4
123.08054	19.3
128.06247	11.6
129.06995	19.9
131.04919	21.2
131.08580	37.6
133.06509	19.5
133.10126	29.0
135.08055	33.5
135.11710	8.4
137.09525	13.2
142.07788	18.3
143.08571	44.4
144.09361	8.3
145.06516	39.9
145.10132	54.8
147.08037	34.3
147.11658	13.3
149.09587	22.2
153.06989	7.9
155.08569	25.9
156.09340	26.0
157.10152	75.0
159.08061	26.3
159.11745	41.3
161.05942	9.5
161.09625	21.7
165.07018	10.1
165.09077	9.7
167.08614	11.7
168.09302	11.4
169.10097	38.3
169.34186	6.1
170.07289	9.5
170.10901	16.2
171.08067	19.6
171.11687	69.5
173.09599	35.2
173.13268	15.5
175.11206	14.3
177.09081	12.2
178.07762	9.6
180.09364	12.0
181.10144	23.6
183.08136	11.6
183.11708	55.7
185.09662	43.3
185.13210	31.4
187.11185	25.5
187.14830	8.1
192.09387	8.1
193.10104	23.4
194.10930	12.0
195.11732	31.5
197.09624	20.3
197.13280	27.5
199.11151	26.7
201.12720	18.8
203.14270	8.0
205.10324	8.1
206.10915	23.1
207.11711	31.9
208.12611	9.2
209.09697	17.9
209.13232	29.2
211.11140	21.3
211.14874	15.1
213.12793	51.3
215.10645	8.9
217.10034	9.4
219.11674	16.5
220.12550	17.0
221.13264	42.3
223.11301	13.0
223.14844	27.4
225.12764	9.9
225.16373	9.6
227.14307	21.1
229.10202	9.5
229.12230	13.0
230.10916	8.5
231.11751	18.4
232.12457	15.1
233.13261	17.8
234.13965	11.6
235.11227	8.2
235.14815	23.0
237.12729	16.7
239.14352	14.7
241.15768	7.6
243.11711	14.1
243.13928	9.3
244.12425	12.3
245.13220	23.8
246.14026	12.9
247.11159	12.1
247.14810	22.2
248.15747	8.9
249.12807	17.7
249.16452	23.5
251.14297	16.8
253.16010	9.3
257.13297	18.1
259.14932	17.1
260.12131	9.9
260.15427	9.4
261.16513	8.5
263.14279	14.3
263.18280	11.1
267.17493	10.3
275.14410	10.8
275.17947	17.0
277.15817	21.4
287.14148	7.6
291.17471	13.5
293.19052	8.6
295.16943	23.9
301.15976	11.5
303.17355	11.9
305.15619	15.3
305.18961	10.3
307.17017	14.8
307.20569	13.2
315.14072	6.6
315.17569	10.7
317.15521	8.8
317.19025	23.4
319.17020	10.8
321.18661	13.6
331.16931	9.8
333.18439	15.4
333.22147	18.1
335.20111	35.0
343.20523	74.6
345.18539	100.0
347.16394	13.5
349.17819	15.4
361.18011	10.1
361.21683	78.6
363.19470	16.1
371.20078	19.5
379.18549	7.9
379.22839	13.2
389.16946	8.4
389.21277	60.1
391.19492	7.8
407.22449	80.3
421.19955	11.4
425.23010	21.5
435.18073	9.1
439.21030	19.1
441.22733	14.7
467.20627	19.9
467.31378	10.5
485.21335	39.0
485.25467	43.7
485.32562	19.6
505.75299	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	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01868	6.6
55.05516	13.5
57.03434	2.2
61.02919	2.0
63.86861	1.8
67.05509	18.6
69.03442	20.1
69.07072	14.9
69.49911	13.7
71.04997	22.7
73.02921	2.7
75.08160	2.0
79.05502	24.2
81.03421	11.4
81.07063	54.0
83.04971	8.7
83.08617	6.5
84.04487	3.4
85.02914	23.8
85.06557	2.2
86.09710	4.3
86.84308	2.1
87.00843	9.8
91.05486	37.9
93.07051	36.8
95.04987	11.3
95.08607	34.8
97.02896	9.1
97.06525	11.4
97.10170	3.5
99.04443	2.8
99.08102	11.4
103.05483	2.7
104.10754	7.3
105.01870	9.3
105.07040	80.6
105.11081	2.4
106.07332	2.7
107.04960	5.8
107.08602	42.7
109.02871	6.7
109.06532	9.7
109.10173	32.9
111.04400	2.1
111.08102	7.0
115.03899	3.2
115.05469	4.3
117.07038	13.8
119.04978	3.1
119.08589	53.3
121.06525	8.4
121.10163	34.3
122.02618	1.9
123.04421	2.4
123.08082	7.5
123.11730	16.3
124.99989	2.9
125.06020	2.4
125.09629	32.9
127.03922	18.2
127.07565	7.7
127.11190	6.4
128.06261	3.6
129.07019	11.9
130.05035	5.2
130.07788	4.4
131.05365	3.0
131.08585	28.7
133.06505	4.1
133.10143	100.0
135.08041	10.9
135.11746	11.0
137.05946	2.7
137.09644	10.9
139.07486	2.6
139.11200	2.8
141.06996	4.1
142.07753	6.1
143.08548	20.2
143.10663	11.2
145.04987	2.3
145.06479	2.6
145.10135	38.9
147.08092	10.7
147.11679	37.1
149.09625	8.3
149.13235	9.8
151.11174	4.0
155.08557	6.9
156.09340	4.9
157.10155	22.0
159.02910	2.6
159.08069	8.4
159.11713	38.8
161.05977	2.2
161.09613	15.5
161.13242	13.1
163.07558	4.3
163.11166	7.2
165.07030	3.5
165.09105	5.4
167.08568	4.0
167.10658	2.7
169.10193	13.3
170.10919	3.6
171.08035	3.3
171.11726	14.2
173.09613	7.7
173.13274	10.0
175.07668	2.2
175.11232	8.2
175.14862	3.7
177.09103	4.0
177.11371	2.0
177.12790	4.3
179.10696	2.9
181.10121	7.8
182.10893	3.4
183.11690	18.4
184.07346	8.2
184.08786	2.1
185.09648	5.7
185.13261	16.4
187.07532	7.4
187.11235	4.9
187.14848	5.9
189.12730	4.1
191.14275	3.6
193.10187	3.8
194.10962	2.7
195.11717	10.2
196.12503	2.6
197.09787	2.9
197.13237	10.6
199.11151	13.1
199.14905	6.6
201.09033	2.4
201.12737	5.3
201.16431	17.3
203.10667	3.1
203.14398	3.4
203.17961	7.7
205.10316	2.7
206.10939	3.5
207.11775	3.1
208.12500	5.2
209.13271	5.7
211.11203	4.4
211.14893	4.8
213.12738	6.3
213.16441	4.3
215.08568	2.0
215.10623	2.3
215.14316	2.9
217.15918	4.4
219.11795	3.8
219.17435	41.6
221.13362	9.8
222.14078	2.9
223.11153	2.9
223.14809	6.9
225.12753	5.3
225.16406	6.5
227.10803	2.1
229.12300	6.6
231.04950	5.8
231.13902	4.2
231.17499	2.7
233.13409	3.2
235.14848	4.7
237.12756	3.7
237.16470	4.1
237.18631	8.4
238.13196	2.5
239.14194	3.1
243.13844	2.5
243.17505	5.7
247.14766	3.0
249.12854	2.4
250.13445	2.2
251.18028	4.2
257.11783	7.3
263.18073	2.9
265.19293	2.5
267.17410	4.8
277.15771	2.6
307.16766	2.0
309.22150	7.3
327.23044	2.9
333.18344	3.1
337.25238	2.4
349.21631	2.4
355.26291	2.9
359.20099	5.3
361.21753	10.6
363.19513	5.5
371.20111	13.0
377.21301	3.2
379.22589	2.7
389.21182	25.6
403.30145	4.8
407.17401	3.8
407.22137	27.9
409.30948	2.7
413.26880	3.9
421.30917	3.7
425.18527	9.1
425.23520	4.8
439.32196	4.1
449.23318	2.0
449.30560	4.2
467.23956	11.4
467.31552	8.3
485.25516	9.0
485.32675	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	485.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02403	2.5
53.03941	6.3
55.01873	7.6
55.05524	15.7
56.64546	2.5
57.03432	10.1
57.07079	3.0
59.05006	3.2
61.02924	3.4
67.05511	23.4
69.03430	27.1
69.07082	18.8
71.05001	20.8
73.02907	3.6
79.05495	28.1
81.03424	19.2
81.07066	80.5
83.04979	11.8
83.08613	8.1
84.04516	5.8
85.02912	36.0
85.06532	7.0
87.00836	15.9
91.05489	34.3
93.07054	44.0
95.04997	13.5
95.08611	47.7
97.02906	18.6
97.06535	20.0
97.10156	4.0
99.04462	7.7
99.08096	8.4
105.01888	13.9
105.07040	86.3
107.08611	49.9
108.08165	2.2
109.02879	10.1
109.06520	9.8
109.10164	36.1
111.08086	8.2
115.03897	6.0
115.05453	4.4
117.07057	15.3
119.08583	53.3
121.06494	9.3
121.10155	35.6
123.08086	8.2
123.11736	15.6
125.09628	32.6
127.03928	26.1
127.07557	8.2
127.11244	7.0
128.06160	4.0
129.01865	2.8
129.07031	5.3
130.05011	11.7
131.08592	21.9
133.06511	4.4
133.10147	100.0
135.08051	9.1
135.11700	20.2
137.05977	3.5
137.09598	11.1
137.13243	3.0
139.03870	2.7
142.07831	5.9
143.08565	12.6
143.10690	21.4
145.06407	3.1
145.10130	33.0
147.08061	6.6
147.11703	53.0
149.09631	6.5
149.13275	8.6
151.11217	6.8
155.08582	5.8
157.10156	16.0
159.02950	6.3
159.08084	4.7
159.11713	29.0
161.09625	8.3
161.13275	25.9
163.11247	13.6
165.09094	5.9
167.08484	3.2
167.10704	4.7
169.10117	7.9
171.08102	2.6
171.11700	7.3
173.09612	5.1
173.13313	9.3
175.11250	6.5
175.14873	8.5
179.04886	3.6
179.14346	5.7
181.10104	4.0
183.11668	7.3
185.13313	3.4
187.11249	3.6
189.09181	3.7
189.12701	3.2
189.16313	2.9
191.14293	3.1
195.11691	5.6
197.09541	2.5
199.11168	4.7
201.03935	2.9
201.12663	4.6
201.16431	25.1
203.18015	17.1
207.11772	3.2
209.13312	6.0
211.14865	3.5
213.12688	6.3
213.16222	3.8
215.14259	2.6
217.15880	2.6
219.14067	3.3
219.17468	72.8
221.13257	2.8
221.19061	5.6
225.12628	3.2
225.16277	4.5
231.04938	5.8
233.11702	3.4
237.18372	14.0
243.17426	3.3
257.15662	4.3
309.18179	3.6
309.21759	2.9
327.19644	3.4
449.30569	2.9
467.20224	3.9
467.31308	3.9
485.22409	13.6
485.29279	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
54.91930	1.8
55.01866	3.3
55.05526	8.3
57.03429	2.1
67.05509	16.3
69.03072	2.6
69.03432	32.7
69.07077	9.5
70.06590	2.4
70.42401	2.2
70.42711	3.4
71.04984	6.1
79.05495	17.5
81.03410	6.6
81.07056	21.8
81.88726	2.1
83.04969	4.5
83.08609	4.0
85.02895	6.9
85.06545	3.0
86.09695	5.3
87.00832	2.2
87.04449	3.6
91.05479	21.4
93.07044	27.9
93.93492	1.7
95.04992	9.3
95.08624	21.9
97.02908	5.7
97.06541	7.9
99.04462	3.1
99.08116	2.6
103.05450	2.3
104.10760	2.1
105.07032	28.9
107.04968	4.1
107.08591	20.3
109.02891	2.4
109.06525	6.9
109.10168	10.8
111.04454	1.7
111.08086	6.9
111.67983	1.9
113.02375	11.6
115.03940	1.9
115.05448	4.8
117.07001	8.7
119.04955	3.6
119.08586	32.8
121.06491	8.3
121.10158	16.5
123.04397	4.4
123.08055	7.2
123.11732	3.3
125.00011	2.7
125.09627	4.5
127.03923	4.9
128.06267	5.1
129.06985	15.1
130.07779	1.9
131.08560	22.9
133.06534	4.1
133.10146	19.9
135.08072	6.4
135.11723	5.0
137.05965	3.3
137.09584	6.5
139.03920	2.3
141.05399	2.5
141.07008	4.9
142.07806	7.8
143.08571	23.1
144.09366	2.2
145.06491	4.1
145.10127	24.3
147.08031	8.0
147.11676	11.5
149.06027	5.5
149.09579	4.1
149.13254	2.0
151.07547	4.2
151.11221	2.1
153.07027	3.5
154.07730	3.0
155.08560	12.9
156.09358	6.8
157.10144	30.0
159.08072	6.5
159.11707	24.0
161.05887	2.2
161.09595	9.0
161.13243	11.4
163.07599	2.6
163.11176	5.5
164.99995	2.5
165.07002	6.2
165.09125	3.0
167.07339	2.4
167.08536	10.4
168.09360	5.6
169.10144	22.6
170.10948	3.0
171.08104	4.3
171.11671	18.5
173.09642	7.8
173.13248	7.9
175.07544	3.0
175.11246	4.8
175.14799	2.9
177.09135	4.4
177.12796	3.5
179.08557	10.8
180.09366	4.9
181.05023	1.9
181.10120	16.7
182.10902	2.7
183.06482	2.1
183.08092	4.2
183.11697	22.0
184.07404	15.6
184.12358	1.7
185.07925	2.1
185.09642	7.4
185.13235	11.5
187.07571	3.0
187.11234	4.4
187.14862	5.0
189.09169	4.9
189.12798	1.8
191.08644	3.1
191.10498	2.5
192.09358	5.2
193.10121	16.8
194.10909	4.9
195.11731	21.6
196.12424	3.2
197.09631	6.7
197.13255	14.7
199.07547	3.4
199.11201	8.2
199.14902	3.6
201.09142	5.3
201.12785	4.3
201.16451	4.9
202.07761	2.5
203.08627	2.8
203.10635	2.8
203.14275	2.0
204.09378	2.7
205.08472	3.3
205.10150	7.9
206.10950	6.2
207.11723	20.6
208.12372	3.3
209.09758	4.1
209.13277	17.0
211.11163	6.6
211.14824	10.3
213.09134	5.9
213.12698	3.3
213.16415	4.0
215.10637	5.1
216.09497	4.4
217.10150	6.7
217.15825	2.7
218.10971	6.4
219.11885	12.2
219.13666	3.4
219.17473	8.1
220.12497	4.7
221.09682	4.3
221.13295	15.5
223.11334	3.8
223.14891	9.4
225.09131	2.9
225.12807	4.1
225.16354	6.9
227.10692	8.2
227.14400	2.4
227.17853	2.6
229.08492	3.0
229.16003	2.9
230.10889	2.7
231.11707	7.8
231.17546	2.0
232.12489	5.3
233.09613	2.6
233.13266	11.5
233.15225	1.9
234.13911	3.1
235.11160	5.1
235.14804	11.7
237.09035	2.6
237.12762	5.9
237.16406	7.7
237.18559	3.4
239.10696	4.9
239.14267	4.2
239.17989	2.6
241.12389	3.3
243.11855	3.9
243.17358	7.1
244.12418	2.9
245.13306	11.1
246.14053	3.2
247.11217	4.4
247.14937	9.6
248.11942	1.8
249.12755	7.4
249.16405	8.0
250.13530	2.4
250.17361	2.3
251.10754	4.9
251.14250	2.6
251.17978	5.0
253.12245	6.0
255.13789	2.6
256.12500	1.9
257.13156	5.5
258.13995	2.7
259.11160	2.8
259.14868	4.7
261.12961	4.3
261.16406	7.8
263.14337	6.5
263.18048	5.4
265.12271	5.1
265.15903	4.3
266.12845	2.5
267.13962	4.3
267.17371	1.9
270.13828	2.2
271.14758	3.4
273.16321	2.7
275.14282	3.0
277.12274	3.3
277.15948	3.6
278.16922	2.0
279.13834	3.7
279.21075	2.2
281.12115	2.6
281.15430	2.5
281.18927	1.9
283.17010	3.7
283.20486	2.6
285.16473	2.8
287.14246	3.3
287.17657	2.6
289.14502	3.3
291.13785	5.5
291.17239	3.4
291.20975	2.8
292.14676	1.8
293.15378	5.1
293.22278	2.3
295.17017	3.6
295.20743	2.2
297.22131	2.0
301.11914	2.0
301.15607	2.3
303.13861	2.4
305.15417	2.8
307.16940	7.8
309.18530	5.0
309.22131	6.0
311.16351	3.2
315.17288	2.8
317.15509	3.8
319.16959	4.7
321.18515	2.6
323.05881	2.8
323.16550	5.2
325.18039	4.6
327.19809	3.8
327.23340	6.7
331.16840	2.7
333.18414	5.9
335.16415	6.0
337.18018	5.3
337.25244	2.1
343.16910	2.2
347.20221	3.3
351.15811	3.6
351.19556	4.5
353.17566	13.0
355.19131	2.7
355.26462	1.9
357.18546	3.6
359.16418	2.1
359.20547	2.2
361.17932	6.3
363.19510	3.3
367.26617	3.1
371.18619	24.3
374.14575	2.2
375.19742	7.8
377.17200	3.4
377.21365	2.6
379.19324	8.4
381.16437	2.5
381.20651	10.7
385.17868	4.0
389.17526	3.1
391.18948	2.5
391.29590	2.3
393.20798	4.5
395.18350	4.3
397.20062	7.3
399.15955	3.2
403.19049	10.9
403.30136	2.5
405.20700	4.2
407.18491	5.8
409.20334	3.3
409.31146	2.6
413.27148	2.9
421.20200	28.5
421.31003	6.6
423.21753	4.3
425.19623	4.1
427.31949	3.0
431.18613	8.0
439.21188	18.6
439.31967	4.0
441.22540	4.4
449.19708	14.3
457.21689	2.7
467.20752	35.5
467.31601	7.8
485.21667	100.0
485.32251	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	485.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.01868	5.4
55.05509	4.7
55.78678	1.9
57.03424	2.0
57.28427	1.7
65.03090	1.8
65.03954	2.2
67.05519	11.6
69.03421	5.7
69.07059	5.3
71.04995	3.9
71.54850	3.7
72.15108	1.7
75.10085	1.7
77.98123	1.8
79.05502	22.6
81.03412	4.4
81.07067	21.6
83.04994	9.6
86.54973	1.7
86.59035	1.8
86.67063	1.8
91.05482	22.4
91.62666	1.9
93.07058	23.4
95.04984	48.5
95.08605	22.2
97.06532	5.2
98.13901	2.0
99.08110	3.3
100.43163	2.1
103.04408	2.1
103.05470	2.7
104.87286	1.9
105.07042	29.8
107.08601	23.1
109.06538	19.3
109.10162	6.8
110.84644	2.2
111.04491	2.2
111.08109	5.0
115.05479	7.7
117.07022	11.6
119.04982	2.9
119.08588	43.8
121.06522	14.8
121.10137	12.8
123.08090	9.1
128.06248	7.9
128.92073	2.0
129.07019	9.5
130.07784	3.8
131.04942	4.0
131.08601	24.0
133.06500	12.5
133.10135	18.5
135.08072	17.2
135.11661	3.0
137.05978	5.6
137.09662	2.6
141.07007	4.8
142.07776	9.8
143.08568	22.2
143.52496	1.9
144.09340	2.5
145.06502	9.8
145.10138	25.3
147.08063	16.6
147.11693	7.3
149.05992	4.5
149.09634	21.8
149.13228	2.4
151.07558	6.8
153.06950	2.9
153.09116	2.6
154.07823	3.1
155.08556	13.9
156.09377	11.1
157.10130	41.1
159.08067	24.1
159.11723	21.1
161.06009	5.8
161.09648	13.3
161.13225	3.4
163.07581	5.7
163.11200	3.4
165.06993	6.2
165.09175	3.9
167.08606	8.8
168.09361	5.4
169.04944	3.5
169.06468	2.8
169.10136	26.7
170.10924	7.3
171.08049	6.9
171.11726	31.8
172.08829	3.3
173.06067	2.1
173.09654	28.8
173.13277	9.2
175.07610	6.7
175.11194	5.3
177.05516	2.3
177.09114	6.7
178.07765	3.2
179.07162	3.8
179.08588	11.5
179.10730	2.7
180.09329	4.2
181.10181	11.5
182.10971	3.3
183.08070	8.4
183.11703	31.8
184.12474	2.3
185.09679	15.6
185.13283	14.8
187.07532	4.6
187.11215	17.3
187.14848	3.6
189.09154	5.9
191.07002	3.4
191.08582	2.3
191.10698	2.4
192.09370	5.6
193.08640	3.5
193.10156	13.2
193.11804	2.5
194.10980	4.8
195.08044	3.8
195.11749	12.2
196.08855	4.8
196.12476	2.7
197.09651	17.2
197.13290	8.9
198.10388	3.6
199.07466	3.7
199.11198	19.5
199.14897	8.4
201.09105	7.1
201.12796	9.7
203.08612	3.3
203.10609	4.1
205.10199	5.3
206.10902	7.9
207.08095	2.5
207.11728	19.5
208.12517	4.9
209.09705	11.2
209.13237	14.8
210.10352	2.6
211.11221	18.3
211.14812	5.1
213.09126	5.0
213.12776	8.3
215.10709	8.4
216.09450	3.2
217.10139	7.3
217.12280	4.9
218.10919	4.4
219.11885	9.2
219.13727	2.2
220.08846	2.2
220.12457	7.8
221.09727	4.5
221.13210	14.1
222.10330	3.6
222.13953	2.2
223.11235	12.7
223.14830	6.8
225.09172	4.7
225.12794	8.4
225.16451	3.8
227.10725	8.4
229.10214	4.8
229.12273	8.1
230.10936	6.1
231.11989	13.1
231.13832	4.6
232.12497	10.6
233.09602	4.8
233.13312	9.1
233.15323	2.4
234.10446	3.5
234.14110	2.6
235.11179	8.1
235.14873	7.4
237.09055	3.4
237.12802	6.1
237.16440	3.9
239.10686	5.1
239.14409	3.3
241.12292	4.0
243.11694	6.5
243.13930	5.4
244.12456	4.1
245.09511	2.8
245.13560	11.9
245.15424	3.2
246.10454	3.2
246.14015	8.2
247.11180	9.0
247.15033	15.4
248.11993	3.4
249.12817	12.1
249.16489	4.4
251.10695	5.4
251.14333	5.4
253.12355	5.4
255.10091	5.4
255.13997	3.0
256.12466	2.2
257.11566	3.8
258.14099	5.6
259.11032	3.2
259.15097	11.0
260.12036	3.5
260.15558	5.3
261.12766	6.1
261.16373	9.1
262.13489	3.2
263.10724	3.5
263.14316	8.6
263.18042	4.1
265.12277	5.8
265.15921	6.2
267.13821	8.0
270.13947	2.2
271.14920	4.1
272.11972	2.4
273.12698	8.3
273.16479	7.7
274.13580	5.2
275.14276	10.1
275.17877	5.8
277.12204	2.5
277.15918	2.9
279.13766	3.0
279.17538	4.6
285.12555	3.3
285.16486	3.5
286.13620	3.3
287.14478	9.5
288.15131	4.5
289.15869	9.9
289.19000	2.9
291.13754	7.1
291.17456	5.2
293.15305	4.2
293.18805	2.2
299.13614	2.5
301.12549	3.3
301.15784	12.1
302.16788	2.7
303.14127	4.4
303.17419	11.2
305.15262	6.6
305.18921	2.4
307.13620	3.3
307.16943	7.8
307.20490	3.1
309.14948	4.5
309.22174	3.5
311.12866	7.6
314.13046	2.7
315.12372	4.6
315.17526	4.6
316.14728	2.4
317.15189	6.8
317.19016	5.6
319.16885	9.2
319.24472	2.1
321.14883	4.0
321.18500	5.8
323.16528	3.8
323.19934	2.9
325.14545	3.3
325.18076	3.1
327.12427	3.4
327.23285	3.8
329.15100	7.3
331.17038	8.5
333.14642	5.6
333.18588	5.5
335.16193	6.7
335.19977	4.0
337.18060	3.4
343.16943	8.2
345.15146	3.6
345.18573	7.5
347.16360	14.5
349.14258	3.6
349.18063	11.4
357.14618	3.1
361.18021	12.6
363.15857	5.4
363.19684	4.6
365.17722	15.1
367.15265	4.4
367.19080	12.9
371.16031	7.8
373.17966	6.4
375.15814	8.1
377.17508	7.6
379.19116	14.5
389.17447	22.1
391.19119	4.1
393.16956	7.4
403.19263	5.2
405.16495	3.0
405.21091	2.3
407.18573	27.5
409.20663	4.3
411.17892	6.2
417.16876	8.9
421.20105	12.7
421.24823	2.3
421.30832	2.9
423.22314	9.6
425.19464	13.0
427.28159	3.0
435.17999	22.1
437.19580	3.2
439.21130	16.5
441.18359	10.1
441.29501	2.3
449.19803	16.7
449.30347	2.9
453.19086	13.9
457.22153	5.6
467.20670	43.4
467.31448	5.8
485.21692	100.0
485.32855	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	485.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01860	9.7
55.05496	12.7
65.03941	5.2
65.59167	3.5
66.57976	4.2
67.05499	29.4
68.98650	4.7
69.03425	8.7
69.07059	12.1
71.55799	5.2
71.56153	4.7
79.05492	35.5
81.03400	5.8
81.07058	38.4
83.04964	15.2
84.14864	3.4
85.06548	6.7
91.05485	49.2
93.07043	54.6
95.04967	45.3
95.08609	33.7
97.02855	4.4
97.06544	5.5
101.02370	3.8
103.05443	7.6
104.73190	3.6
105.04514	4.4
105.07035	72.5
107.04958	8.2
107.08601	47.5
109.06534	30.3
109.10169	14.9
111.08083	6.1
111.30485	3.7
113.06026	4.0
115.05442	6.0
117.07024	26.8
119.04957	6.7
119.08591	67.2
121.02847	3.5
121.06516	21.4
121.10140	29.4
123.08063	16.0
123.11701	4.1
127.03869	3.6
128.06242	10.4
129.07007	21.9
131.08583	40.0
133.06511	19.7
133.10139	35.9
135.08066	32.1
137.05980	6.5
141.06972	7.4
142.07771	14.8
143.08577	42.4
144.09380	5.1
145.06471	16.0
145.10130	40.9
147.08060	37.3
147.11693	16.0
149.05927	3.8
149.09636	48.6
151.07527	9.5
154.07732	6.6
155.08548	30.4
156.09361	26.9
157.06549	5.7
157.10129	84.9
157.11325	7.3
158.07307	4.1
159.08047	32.0
159.11702	47.4
161.05975	9.9
161.09628	21.0
161.13217	5.8
163.07555	6.7
163.11180	6.1
165.07024	6.7
166.07787	4.0
167.08595	11.4
168.09436	8.6
169.04895	6.9
169.06429	4.3
169.10114	49.8
170.10889	15.8
171.08041	11.5
171.11703	76.1
173.05992	5.2
173.09631	58.3
173.13202	23.3
175.07538	11.2
175.11182	6.2
177.09106	16.4
178.07697	4.6
179.07053	7.0
179.08568	11.5
180.09375	4.9
181.10085	18.3
183.08089	12.0
183.11699	60.2
185.09686	22.3
185.13229	34.0
186.10474	5.3
187.07549	10.5
187.11183	30.3
189.09082	6.4
191.07111	4.4
191.10631	5.1
192.09392	6.2
193.08614	8.1
193.10141	26.8
194.10928	4.7
195.07986	8.1
195.11696	27.8
196.08952	4.2
196.12595	6.0
197.09642	22.0
197.13290	20.1
198.10396	6.1
199.11211	30.9
199.14862	14.0
200.12010	6.5
201.09154	16.8
201.12726	16.9
203.06818	4.6
203.08653	5.7
203.10626	8.3
205.10199	8.0
206.10875	10.3
207.06557	5.1
207.11755	26.9
208.12486	12.5
209.09657	14.5
209.13187	21.9
210.10405	10.5
211.11194	28.2
211.14850	11.0
213.09117	8.4
213.12694	33.6
213.16298	4.8
215.10635	9.8
215.14246	5.4
216.09273	4.6
217.10188	11.1
217.12202	9.0
218.10846	6.4
219.08116	5.2
219.11726	15.0
220.12431	10.9
221.09691	9.5
221.13206	35.7
222.13907	5.2
223.11182	16.5
223.14856	14.2
224.11964	6.7
225.09183	7.4
225.12753	16.9
225.16394	10.6
227.10619	15.3
227.14403	5.2
229.10292	6.7
229.12137	18.1
230.10814	8.8
231.11955	18.6
231.13721	7.0
232.12492	11.8
233.09698	7.5
233.13474	20.8
233.15340	7.4
234.13962	4.9
235.11134	11.2
235.14868	21.7
236.12051	4.4
237.09093	4.7
237.12735	11.9
237.16376	9.2
238.13521	3.9
239.10675	6.2
239.14301	6.6
241.12274	9.7
242.10945	4.6
243.11642	12.5
243.13834	16.2
244.12453	14.6
245.13597	18.6
245.15395	6.0
246.13998	18.3
247.11371	7.7
247.14954	29.4
248.15335	4.6
249.12888	20.6
249.16367	16.5
251.10660	11.1
251.14200	8.9
251.18077	4.8
253.12364	4.4
253.15924	5.8
255.09988	6.7
255.13913	4.9
257.13409	6.6
258.13965	5.3
259.11063	8.7
259.14774	15.8
260.12006	8.5
260.15646	7.7
261.12888	8.6
261.16544	21.3
262.13455	5.5
263.10849	4.2
263.14285	17.4
263.17862	5.4
265.12335	4.0
265.15948	11.3
267.13882	8.2
269.11652	7.1
269.15424	7.4
272.15555	4.6
273.12692	7.6
273.16544	7.9
273.80518	3.8
274.13501	10.5
275.14246	20.9
275.17505	7.1
276.15051	4.7
277.15976	12.0
279.13831	6.4
279.17368	5.3
285.12646	8.5
285.16528	4.6
286.13470	7.7
287.14151	15.6
287.17343	4.3
288.11771	4.5
289.15720	13.9
291.13773	8.6
291.17062	7.0
293.11752	4.4
293.15466	6.9
293.18906	6.2
301.15942	9.8
303.14212	6.4
303.17496	18.7
305.15421	6.7
305.18954	7.9
307.16891	10.6
309.14871	8.7
309.18347	4.0
315.13147	5.5
315.17273	8.6
317.15152	12.1
317.18967	17.8
319.13501	5.9
319.16953	13.4
321.18448	12.4
323.16431	6.4
323.19998	5.5
327.17673	4.1
329.15277	10.7
331.16959	15.1
333.14685	6.3
333.18369	8.5
335.16360	8.2
337.17975	9.7
343.16791	14.2
345.14731	4.3
345.18484	9.0
347.16220	25.0
349.14255	8.6
349.18024	16.7
351.19540	7.5
359.16348	5.1
361.17877	18.3
363.15811	8.8
363.19604	10.6
365.13400	5.5
365.17432	27.2
367.15131	5.2
367.19067	21.6
371.16193	11.0
373.18073	5.2
375.15848	16.8
377.17175	9.1
377.21307	6.2
379.19058	26.7
385.20377	7.1
389.17343	21.4
389.21631	5.0
391.19208	11.6
393.16855	12.2
397.20078	5.1
407.18448	47.9
409.20044	14.4
417.16708	12.3
421.20267	19.8
423.21616	13.6
425.19495	16.9
431.18665	5.2
435.17764	22.1
437.19473	10.5
439.21219	44.5
441.19031	12.6
449.19543	21.2
449.30048	5.1
453.19028	13.2
457.22440	11.6
467.20508	70.7
467.31445	15.6
485.20938	100.0
485.31485	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.05519	15.7
57.07073	6.9
59.04998	4.7
65.03959	3.7
67.05508	31.7
69.03428	7.8
69.07071	26.3
71.08625	4.1
73.06545	2.8
74.64685	2.3
78.26644	2.3
79.05502	20.9
81.07062	34.1
83.05000	6.3
83.08620	9.6
89.05491	3.4
89.06040	61.5
90.06372	14.1
91.05500	29.8
92.91246	2.0
93.07060	45.3
93.69089	1.8
95.04990	4.8
95.08616	100.0
96.96631	2.2
97.10162	9.9
102.22253	1.9
103.05454	2.5
105.07041	37.3
107.04990	4.3
107.08614	55.4
109.06537	14.0
109.10164	26.5
111.08096	13.5
113.09664	4.2
117.07020	9.2
119.08598	49.2
121.06528	13.5
121.10165	31.8
121.10957	4.5
123.08083	9.1
123.11703	9.5
125.09650	9.8
129.06996	8.3
131.08583	25.4
133.06512	4.2
133.08620	27.4
133.10138	42.3
134.08939	8.2
135.08057	13.4
135.11745	19.3
137.09637	34.6
137.13268	3.5
141.06999	4.2
142.07797	3.6
143.08583	24.1
144.09323	3.6
145.10141	34.0
147.08035	7.6
147.11678	22.7
149.09619	29.5
149.13333	5.0
151.11217	3.5
155.08571	11.4
156.09334	6.2
157.10168	22.0
159.08086	4.4
159.11728	25.6
161.09669	7.7
161.13269	12.0
163.11189	7.1
163.14838	3.2
167.08621	3.2
169.10146	14.2
170.10886	4.2
171.07982	4.0
171.11716	20.4
173.09636	7.5
173.13269	18.6
175.11218	8.0
175.14803	8.6
177.11226	10.9
177.12770	7.2
178.11565	5.0
180.09329	3.7
181.10135	8.1
182.10904	4.3
183.11749	17.7
185.13268	15.4
187.11212	8.9
187.14851	10.3
189.12735	12.7
189.16382	6.3
191.14439	2.5
195.11842	7.5
196.12514	4.1
197.13281	23.9
198.13956	4.4
199.11160	6.6
199.14847	13.9
201.12770	5.4
201.16380	5.6
203.14360	5.5
207.11705	3.6
208.12552	2.8
209.13251	7.1
211.14809	11.4
213.12769	9.1
213.16399	9.8
215.14365	22.0
215.17816	3.3
217.15858	5.7
221.13356	6.4
222.14113	2.8
223.14832	9.5
225.12814	3.8
225.16382	10.2
227.14296	3.2
227.17880	3.9
229.15829	5.1
229.19424	3.1
231.17438	6.2
235.14934	6.2
237.16360	8.3
239.14821	3.8
239.17987	4.3
241.15837	6.8
241.19626	3.0
243.17337	2.8
247.14923	4.5
249.16385	6.2
251.18019	6.3
253.15799	3.3
253.19595	4.2
255.17398	6.7
257.19043	3.2
261.16376	3.1
265.16129	2.2
265.19507	6.5
266.20370	4.9
267.21204	2.8
277.19531	3.5
279.20773	2.2
281.19110	5.0
281.22314	3.0
283.17627	35.4
283.20590	7.5
284.17865	34.3
291.21091	6.2
293.22595	10.8
295.20679	4.4
301.21658	23.8
303.20932	4.0
307.20560	5.5
309.22217	17.6
311.23633	16.2
321.22141	12.8
321.25549	2.8
323.23737	3.9
325.21698	4.0
327.23163	11.4
335.23801	2.9
337.25452	3.4
339.23285	11.9
349.25171	3.0
353.24991	4.4
367.26154	4.8
377.24747	3.4
387.30310	2.6
395.25601	4.9
397.27304	24.8
405.31561	18.3
415.29959	7.2
422.31171	2.8
423.32669	25.1
433.31009	21.3
451.31995	23.4
465.33655	11.3
483.34717	73.7
483.41513	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	483.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01870	12.9
55.05515	13.1
55.65953	1.4
65.03936	3.5
67.05511	20.4
69.03429	6.3
69.07072	16.1
71.04984	1.6
73.06570	1.4
77.03926	1.5
79.05499	23.0
81.03413	7.1
81.07061	33.0
83.04979	4.3
83.08624	6.0
85.06561	3.6
91.02837	1.5
91.04910	1.6
91.05485	45.7
93.07047	46.3
95.04437	1.9
95.04979	13.6
95.08612	46.4
97.06525	6.6
97.10184	2.7
103.05489	3.8
103.23438	1.4
105.04535	1.5
105.07037	48.7
107.04971	5.4
107.08592	44.5
107.09296	2.9
109.06516	14.9
109.10166	22.3
111.08083	10.9
115.05456	14.4
116.06251	5.0
117.07027	31.0
119.08586	63.5
121.06536	9.5
121.10152	30.4
123.08096	5.9
123.11719	8.4
125.09650	4.2
128.06242	9.0
129.07018	21.8
130.07777	3.0
131.04950	4.3
131.08572	42.5
133.06497	4.5
133.10141	43.7
135.08057	11.4
135.11731	12.1
137.09633	8.6
137.13248	2.9
139.07565	2.0
141.07028	5.4
142.07782	9.6
143.08568	31.7
144.05728	3.0
144.09366	3.2
145.06502	20.9
145.10132	50.1
146.07236	2.5
147.08058	65.1
147.11708	21.1
149.09627	12.5
149.13290	8.3
151.07605	1.9
151.11191	4.0
153.07045	3.2
153.09137	3.5
154.07764	2.5
155.08578	13.9
156.09355	15.5
157.06578	3.8
157.10141	46.4
158.07321	4.1
158.10901	3.4
159.08064	57.9
159.11702	42.1
161.06064	3.0
161.09625	45.5
161.13222	11.2
163.07564	8.8
163.11230	4.9
163.14864	5.2
165.07037	3.7
165.09149	3.0
166.07799	2.8
167.07190	2.2
167.08585	5.5
167.10698	2.3
168.09421	4.1
169.06451	1.9
169.10133	22.0
170.10893	8.9
171.08060	9.3
171.11696	56.6
172.12398	2.0
173.06033	9.6
173.09615	19.1
173.10971	1.9
173.13272	21.0
174.14088	1.6
175.07501	6.8
175.11249	8.4
175.14767	7.2
177.09192	2.9
177.12680	1.7
177.16380	1.7
178.07843	1.6
179.08650	4.6
179.10710	5.3
180.09346	3.4
181.10150	12.8
182.07242	1.8
182.10931	5.5
183.08127	4.4
183.11696	32.0
184.08899	2.1
184.12370	1.8
185.09630	16.2
185.13268	38.5
187.07559	7.4
187.11221	10.1
187.14813	14.3
189.09152	5.4
189.12798	4.3
189.16396	31.1
191.10693	5.1
191.14316	2.3
191.18074	2.5
192.09375	2.9
193.10190	6.9
193.12218	2.2
194.10930	4.0
195.08121	1.9
195.11707	12.8
196.08813	2.4
196.12602	2.7
197.09624	9.0
197.13309	13.2
198.10376	3.7
199.07599	1.7
199.11174	19.6
199.14862	11.7
200.12000	4.2
201.09151	5.3
201.12782	6.5
201.16403	13.0
203.10719	4.5
203.14331	5.1
203.17953	9.0
205.10335	1.9
205.12274	2.1
205.15956	1.6
206.10979	3.5
207.11763	10.9
207.13579	2.2
208.12556	2.6
209.09642	3.2
209.13272	14.8
210.14037	1.9
211.11253	7.5
211.14899	12.4
213.09210	3.4
213.12758	18.9
213.16318	8.8
215.10747	2.7
215.14406	4.8
215.17891	9.4
217.08606	3.4
217.12173	10.2
217.15958	2.2
219.11742	4.9
219.13777	2.7
220.12553	4.5
221.09752	3.5
221.13336	9.1
221.15166	1.9
222.13988	2.6
223.11304	5.2
223.14828	19.5
224.15758	1.7
225.09096	3.7
225.12839	4.5
225.16371	20.1
227.10748	2.8
227.14403	4.5
227.18001	3.5
229.12244	2.9
229.16006	2.9
230.10991	2.0
231.11736	4.5
231.13789	19.2
232.12517	1.9
233.09695	2.5
233.13339	5.4
234.14066	2.3
235.11261	3.2
235.14894	5.7
237.12817	5.2
237.16464	5.8
239.10690	3.5
239.18069	3.5
241.12241	6.9
241.15973	2.0
241.19568	1.9
243.11781	2.4
243.13913	3.1
243.17419	2.6
244.12439	1.9
245.09586	2.7
245.11795	6.4
246.10402	2.5
247.11171	2.6
247.14853	3.4
247.17061	2.2
248.12006	1.9
249.12675	3.1
249.16493	5.1
251.10710	1.6
251.14362	3.2
251.18056	6.7
253.12352	3.0
253.15875	2.6
253.19664	4.1
255.17500	1.7
255.21231	2.6
257.13388	2.8
258.14047	2.1
259.10846	2.6
259.13080	13.1
260.12051	2.4
261.12744	4.4
263.14328	3.9
263.18063	2.3
265.12354	2.3
265.19696	3.5
267.17767	2.0
267.21069	2.7
269.15994	1.6
269.19086	4.2
271.14944	4.0
273.12833	5.7
273.16422	2.6
274.17288	1.9
275.14276	4.3
277.14270	12.0
277.19324	1.9
279.21179	2.7
283.14709	2.0
283.20547	2.6
285.12808	4.0
286.13651	4.2
287.14429	3.9
289.12344	2.2
289.15906	4.5
289.19638	2.5
291.13901	2.1
291.21075	13.5
293.15689	1.8
293.22638	1.9
295.20917	2.7
295.23990	8.1
297.12793	4.4
297.22089	8.6
297.25494	1.7
299.14331	3.0
301.15961	3.9
303.13699	2.3
303.17450	2.2
305.15454	1.9
305.18970	2.2
305.22940	2.1
307.13159	1.9
307.20596	4.7
309.22153	34.2
310.22787	4.1
311.14154	3.0
311.23770	3.3
312.15170	3.2
313.15695	3.8
313.25153	2.3
315.14038	2.1
315.17496	3.7
317.15549	1.8
317.19049	4.7
321.25958	2.2
326.16562	2.0
327.13919	1.6
327.17386	5.6
327.23187	35.7
329.15430	3.5
329.19156	3.9
331.17001	2.9
331.20688	3.0
337.25427	1.8
339.13803	2.2
341.19153	5.7
343.16873	2.4
345.14893	1.9
345.18582	6.3
347.16357	3.5
349.25345	3.8
353.24652	2.3
357.18652	4.3
359.16360	1.9
359.19955	7.7
361.17938	3.7
363.19684	2.9
369.18564	5.4
375.19553	9.7
377.21039	12.7
379.19492	2.3
381.20691	2.1
381.28070	2.0
387.19571	28.7
393.20807	4.3
403.29919	2.4
405.20590	50.2
405.31714	5.3
406.21143	1.9
415.30014	6.1
421.30948	12.8
423.21707	26.9
423.32770	7.6
433.31021	20.1
447.22037	3.5
447.32672	3.7
451.32129	25.5
453.33649	6.4
465.22842	31.2
465.33496	19.9
483.23901	100.0
483.34656	38.6
484.24414	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77735	4.0
55.05513	21.4
56.24972	4.1
57.07072	10.6
66.87753	4.3
67.05514	40.6
69.03410	9.4
69.07069	27.4
71.08621	13.5
72.04498	5.2
79.05502	22.4
81.07068	47.4
83.04977	16.9
83.08605	13.6
86.66462	4.2
89.06036	49.2
90.06394	10.5
91.05492	36.6
93.07047	48.6
95.04982	11.9
95.08608	75.5
102.44830	4.2
104.60496	4.9
105.07056	51.0
107.08601	57.2
109.06532	32.5
109.10156	23.2
111.08045	11.9
113.09631	6.3
117.07006	15.4
119.08583	45.7
121.06516	18.1
121.10146	32.6
122.07324	5.3
123.08057	11.0
123.11684	9.2
125.09624	14.2
128.06268	5.4
129.06984	9.9
131.08569	35.1
133.08623	22.3
133.10139	49.6
134.08957	8.4
135.08057	16.3
135.11690	18.0
137.09639	38.3
142.07782	8.9
143.08553	20.5
145.10123	35.8
147.08063	11.9
147.11690	19.9
149.09656	27.7
149.13220	7.8
155.08525	13.2
156.09320	5.7
157.10138	31.9
158.10854	4.6
159.08072	7.0
159.11687	26.5
161.09627	13.0
161.13286	14.1
163.11176	12.5
169.10121	18.9
170.10890	5.3
171.11687	27.3
173.09576	10.6
173.13252	18.9
175.11163	7.1
175.14828	11.7
181.10217	7.8
183.11699	21.1
185.13220	17.2
187.11255	7.5
187.14851	20.0
189.11244	4.8
189.12770	6.9
189.16402	10.2
195.11702	17.1
197.13347	22.8
199.14810	14.5
201.12701	12.3
201.16371	13.2
203.14313	10.4
205.15982	6.0
209.13242	10.0
211.14809	10.0
213.12831	13.5
213.16415	12.9
215.14323	15.9
217.15923	20.0
221.13135	11.1
223.14803	8.7
225.16417	10.6
227.14349	6.5
229.15829	11.9
231.17461	11.5
235.14763	5.6
237.16533	8.4
239.17883	5.6
241.16011	7.7
243.17516	5.9
247.17012	5.0
251.17943	12.1
263.17902	8.1
265.19528	7.6
267.17511	5.5
269.19043	4.8
269.22540	5.3
283.17621	22.0
283.20364	5.4
284.17938	12.7
291.21243	8.7
293.22708	6.9
307.20547	9.7
309.22104	16.0
311.23776	10.3
321.22025	18.6
325.21317	5.3
339.23193	29.3
397.27301	7.9
405.31516	9.0
415.30081	16.1
423.32632	21.1
433.31070	52.1
451.32080	79.3
465.33252	5.7
466.38196	6.6
483.17975	7.6
483.34622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
53.18242	1.3
55.05502	4.5
62.45869	1.2
67.05508	12.6
69.03409	1.8
69.07069	8.3
69.36160	9.6
72.33784	1.4
79.05498	7.6
81.07059	23.1
83.03822	1.2
83.04951	2.2
83.08601	2.6
91.05480	12.6
93.07044	30.5
95.04961	4.2
95.08047	1.9
95.08616	20.3
97.06525	1.8
99.08054	1.4
105.07035	13.6
107.08608	11.4
109.06490	2.0
109.10177	13.2
111.08082	2.9
117.07011	3.4
119.08585	17.9
121.06493	4.3
121.10126	13.4
123.08070	11.3
123.11720	12.4
125.09619	4.2
129.07001	3.7
130.07671	1.7
131.08580	7.1
133.06520	1.6
133.10126	12.9
135.08046	4.1
135.11679	4.2
137.09633	8.2
141.06927	1.5
142.07780	3.6
143.08591	6.1
145.10106	12.1
147.08080	3.4
147.11723	6.4
149.09653	3.3
149.13217	1.9
151.07433	1.5
151.11154	2.3
153.09117	4.0
155.08591	3.2
156.09303	1.9
157.10144	17.2
158.10930	1.4
159.11711	15.0
161.09618	8.5
161.13261	6.4
163.11150	2.5
165.09138	8.1
165.12718	2.6
169.10107	4.5
171.11691	10.1
173.09583	2.3
173.13254	8.9
175.11205	3.9
175.14833	3.1
177.12778	3.3
181.10078	2.2
183.11662	6.5
184.12405	1.4
185.13316	7.5
187.11197	3.2
187.14795	4.8
189.12738	4.3
189.16385	2.9
195.11661	2.6
197.13280	7.7
199.11119	2.0
199.14789	4.4
201.12762	4.3
201.16418	3.4
203.14323	2.0
209.13252	2.6
211.14809	5.5
213.16467	3.2
215.14362	2.6
223.14801	4.3
225.12779	2.0
225.16367	4.7
227.14323	1.4
227.17924	3.5
229.15820	2.7
231.17331	1.8
235.10849	1.4
235.14847	1.7
237.16354	1.7
239.17819	1.7
251.17871	1.6
253.19458	2.6
257.18982	1.6
267.17389	2.8
269.18939	1.4
271.20514	6.0
281.18948	2.3
291.20990	2.1
295.20575	1.5
299.20126	1.5
307.20401	1.5
309.22144	36.7
311.23639	11.1
313.25214	7.7
327.23166	4.6
347.23895	1.7
349.25433	3.4
405.31461	4.2
422.90967	1.3
423.32803	1.9
427.81924	1.3
433.31021	11.6
439.28708	1.5
441.94498	1.4
451.32123	100.0
465.29169	2.8
465.34464	2.9
483.35645	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	483.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.05509	28.0
56.26642	2.5
57.03429	10.7
57.07074	8.0
58.00542	2.4
65.03943	3.0
67.05504	24.0
69.03418	3.1
69.07071	36.0
69.21255	13.8
69.21678	11.5
71.04985	5.0
71.08627	4.5
73.06567	3.3
77.61403	2.5
79.05497	21.0
81.07056	49.6
83.08631	24.1
85.06538	5.5
85.86740	2.6
91.05489	28.6
93.07045	69.4
95.04954	9.1
95.08057	5.3
95.08611	63.9
97.06521	19.9
97.10200	13.8
98.20689	5.2
98.98441	3.2
99.08096	12.0
101.06130	3.5
105.03352	4.2
105.07031	46.5
107.08593	61.0
109.06515	14.1
109.10159	27.0
111.11729	3.3
113.09636	3.3
115.05434	3.2
117.07010	8.5
119.08584	52.3
121.06535	7.0
121.10152	48.1
123.08080	9.2
123.11678	14.5
125.09624	7.8
128.06233	6.2
129.06992	10.3
131.08574	35.8
133.10129	28.2
134.13704	3.4
135.08051	6.9
135.11693	19.1
137.09650	4.0
137.13232	7.5
141.07008	5.3
142.07758	7.3
143.08546	29.7
144.09334	8.6
145.10126	49.1
147.11708	30.4
149.09599	4.1
149.13237	10.8
151.11154	7.5
153.09122	11.4
155.08539	20.2
156.09364	7.2
157.10129	38.0
158.10889	4.1
159.08154	2.8
159.11699	51.8
161.09596	2.9
161.13261	22.2
163.11140	4.6
163.14809	16.6
165.06940	2.7
165.12694	3.3
167.08536	3.8
168.09325	5.4
169.10126	42.4
170.10858	3.8
171.11676	35.2
173.13280	33.5
175.11230	3.2
175.14795	8.6
177.12758	3.2
179.08521	4.8
181.10129	11.5
182.10922	6.7
183.11693	32.4
184.12411	3.9
185.13249	37.0
187.14816	9.7
189.16376	10.6
193.10158	12.8
194.10847	5.7
195.11761	23.1
196.12428	6.1
197.13264	31.7
199.14830	26.1
201.12804	5.3
201.16409	12.7
206.10930	3.4
207.11662	10.4
208.12402	5.8
209.13240	27.7
210.14009	6.0
211.14816	33.4
212.15611	3.3
213.16360	34.1
215.14473	4.6
215.17940	10.1
217.15894	3.7
219.11656	4.8
220.12422	4.9
221.13271	13.3
223.14816	41.5
225.16374	47.7
227.14293	5.9
227.17899	12.6
229.15894	4.9
233.13300	5.0
234.13940	3.3
235.14816	9.4
237.16425	10.0
239.17891	8.9
241.19505	8.5
247.14803	3.5
247.17004	2.8
249.16347	19.3
251.14316	3.4
251.17905	21.1
253.15866	5.3
253.19556	6.4
255.17297	3.9
255.21057	4.1
257.18826	3.9
261.16345	4.5
263.17911	8.7
265.19562	19.6
266.20291	7.8
267.17545	3.5
267.21310	5.0
269.19067	14.3
273.18524	3.4
277.19507	4.8
279.21078	5.2
280.21820	3.4
281.19427	4.9
281.22653	36.4
283.20547	7.0
285.18579	3.1
287.20215	4.3
289.19296	4.4
291.21069	37.2
293.19147	3.5
298.08609	3.3
299.23544	6.2
301.21487	3.3
307.20471	10.5
309.22159	89.6
310.22653	5.6
311.22775	3.8
311.25916	55.5
321.25516	2.9
325.21762	4.3
327.23181	100.0
328.23685	3.1
329.24792	3.4
335.23480	4.9
349.25330	7.4
365.28424	5.5
375.26978	5.6
377.24774	4.4
377.32001	6.0
383.29214	3.7
387.30481	6.8
393.28043	4.0
395.33072	3.0
405.31525	28.5
407.29083	3.5
415.30069	12.6
421.30988	11.2
423.32715	10.6
433.31003	64.4
437.34106	10.8
447.32501	9.4
451.32047	56.1
465.33798	24.7
483.34692	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	483.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80367	1.0
55.05513	9.5
57.07088	2.1
60.55394	1.0
67.05510	13.3
69.03387	1.3
69.07073	17.0
69.52267	2.1
69.52673	6.7
71.05004	1.9
73.06528	1.1
79.05492	8.5
81.07061	24.1
83.04993	2.2
83.08633	5.6
91.05493	8.1
93.07056	24.6
95.05004	1.9
95.08056	2.0
95.08617	31.3
97.06541	3.2
97.10166	2.4
105.07037	14.9
107.05007	1.2
107.07959	2.1
107.08607	21.0
109.06507	4.9
109.09567	1.4
109.10181	15.1
111.08067	3.4
117.07035	3.5
119.08589	21.5
121.06514	3.3
121.10145	21.6
123.08084	13.7
123.11712	13.7
125.09642	12.4
128.06207	1.4
129.07001	3.3
131.08580	10.9
133.10143	19.2
133.26941	1.3
135.08052	3.2
135.11699	9.0
137.09625	6.8
137.13272	2.7
139.11142	1.9
141.07007	3.1
142.07776	6.6
143.08586	10.2
145.10123	18.6
147.08052	2.2
147.10669	1.2
147.11719	13.5
149.09630	1.6
149.13284	4.0
151.11191	7.2
153.07101	1.1
153.09099	2.8
154.07837	1.4
155.08586	5.9
156.09396	5.8
157.10146	50.0
159.08092	1.9
159.11717	19.2
161.09627	2.9
161.13292	8.9
163.11230	3.1
163.14815	2.4
165.12743	6.7
168.09291	1.1
169.10194	8.9
170.10747	1.3
171.11703	24.8
172.12392	2.1
173.09650	2.2
173.13290	9.5
174.10461	1.3
175.11244	9.5
175.14755	2.9
177.12741	7.5
177.16382	3.8
179.10716	3.0
179.14249	2.7
181.10129	2.9
182.10890	1.9
183.11711	13.6
185.13231	11.4
186.14073	2.2
187.11200	1.8
187.14832	8.1
189.12727	4.5
189.16376	1.6
191.14281	2.1
193.10060	3.3
193.12201	2.0
195.11742	4.9
196.12657	1.5
197.13280	10.0
199.11189	2.1
199.14822	9.3
201.12741	5.0
201.16388	1.7
203.14308	3.0
207.11803	2.5
207.13696	1.6
208.12503	1.7
209.13245	6.9
211.14867	9.1
213.12730	2.0
213.16324	3.7
215.14241	2.6
217.15930	1.8
221.13266	5.2
222.14110	1.1
223.14821	11.3
224.15569	1.5
225.12775	2.5
225.16418	6.6
227.14241	2.3
227.17935	1.8
229.15862	2.5
235.14771	3.8
237.16338	3.5
239.14340	2.3
239.18008	2.3
241.15822	3.6
243.17526	2.3
245.19011	1.8
248.15652	1.3
249.16380	4.4
251.18025	4.0
252.56393	1.5
253.15875	1.8
253.19513	3.0
255.17479	2.7
257.19016	3.6
265.19510	2.4
266.98346	1.1
267.17465	3.7
267.20837	2.2
269.19009	6.2
271.20505	3.9
273.18237	1.2
277.19580	1.3
281.19147	1.9
281.22385	1.9
283.20609	3.1
285.18597	1.8
285.22205	3.3
291.21155	9.2
294.19681	1.2
295.20514	4.6
297.22284	1.5
299.20059	2.0
307.20572	3.0
309.22144	92.0
310.22797	4.7
311.23654	4.4
313.21646	1.5
321.22186	1.3
325.21487	1.5
327.23206	46.1
335.23837	2.5
349.25320	2.4
351.23227	1.7
363.26810	1.5
393.27951	2.2
405.31540	17.0
415.29880	4.9
423.32736	2.7
433.31119	28.6
451.32114	100.0
465.27219	1.6
465.33691	26.1
483.35059	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	483.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
54.33469	2.2
55.05511	13.5
55.05724	2.4
57.10572	2.5
59.05007	3.7
67.05500	13.6
69.03430	5.9
69.07070	17.6
71.20367	5.6
72.84046	2.7
79.05486	16.5
80.45345	3.0
81.07060	33.4
83.04977	3.7
83.08604	7.1
85.06523	3.7
91.05481	21.8
93.06480	3.1
93.07043	52.7
95.08043	4.1
95.08607	39.9
97.06549	5.4
97.10129	3.3
99.08102	2.8
103.05463	2.8
105.07030	35.0
107.08587	54.4
109.06486	2.9
109.10152	18.6
111.08061	7.4
115.05376	2.6
117.07019	8.4
119.08582	34.6
121.06514	7.7
121.10164	33.6
123.08073	10.2
123.11674	12.8
125.09624	7.1
128.06300	3.2
129.07051	7.4
129.12123	2.5
130.07800	4.2
131.08575	23.7
133.06509	3.2
133.10147	22.3
134.71719	2.4
135.08069	6.2
135.11687	12.3
137.09595	9.4
137.13242	2.9
142.07773	7.4
143.08563	23.9
144.09370	4.4
145.10104	37.8
147.08049	3.8
147.11684	20.6
149.09624	5.1
149.13217	5.9
151.11176	6.8
153.09052	13.2
155.08549	12.7
156.09306	7.8
157.10126	31.0
158.10880	5.9
159.08063	3.9
159.10461	3.6
159.11702	49.0
161.09645	7.0
161.13229	14.7
163.11208	5.5
163.14839	8.4
165.06938	2.4
167.08536	3.3
168.09312	4.5
169.10130	26.7
170.10951	3.7
171.11664	32.8
173.09637	6.2
173.13266	29.2
175.11206	4.3
175.14844	7.2
177.12784	5.1
179.08575	5.3
180.09373	4.2
181.10110	12.0
182.10916	3.5
183.11681	32.7
185.13281	30.7
187.11134	6.3
187.14836	11.1
189.12811	4.3
189.16351	8.2
193.10132	5.2
194.10869	4.0
195.11694	21.4
196.12524	5.1
197.13290	22.6
199.14816	18.4
201.12709	6.0
201.16342	6.6
207.11739	9.9
208.12408	6.4
209.13258	28.7
210.13937	5.1
211.11057	2.7
211.14830	19.8
213.12790	4.6
213.16385	11.3
215.14375	4.9
217.15836	4.0
219.11624	3.3
221.13286	11.5
223.14838	40.4
224.15639	4.1
225.12827	3.0
225.16370	51.2
226.17159	3.9
227.14316	7.7
227.17924	7.3
229.15892	7.5
235.14745	10.4
236.15503	2.7
237.16351	7.3
239.18074	4.8
241.15846	6.5
243.17407	4.7
247.14876	4.3
249.16362	11.2
249.18600	4.6
251.17883	16.4
253.15813	4.4
253.19530	6.7
255.17409	9.4
257.19095	4.5
259.14725	3.4
263.17929	5.6
265.19528	5.2
267.17508	6.5
267.21075	5.6
269.18951	10.9
277.19403	4.3
279.17651	4.5
279.21048	6.2
281.19022	5.7
281.22531	5.2
283.20566	4.6
285.21951	3.3
289.19366	5.0
291.21042	26.9
293.22870	3.2
295.20493	4.5
297.22171	21.2
307.20569	9.6
309.22128	94.3
310.22885	5.9
325.21698	6.0
327.23184	100.0
329.24847	3.7
331.24347	3.5
337.25504	4.5
349.25204	11.5
381.27863	3.9
405.31406	9.0
415.29916	17.6
421.30988	26.9
423.32672	15.5
433.31000	48.2
447.32391	9.2
451.32080	40.1
453.33646	13.7
465.33691	53.8
483.34592	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	483.3106
Annotation	Kuguacin F
Peak:m/z	Relative Intensity
53.03944	2.4
55.05518	7.5
59.04984	1.2
59.90624	1.0
67.05504	10.0
69.03426	2.1
69.06712	1.6
69.07069	12.2
69.17347	1.0
69.33633	2.0
69.34036	6.8
79.05507	7.1
81.03387	1.5
81.07051	11.3
83.04491	1.3
83.04987	19.2
83.08611	2.6
84.34950	1.0
91.05475	10.3
93.07043	17.6
95.04970	3.6
95.08614	17.3
97.02894	0.9
97.06520	2.3
105.03397	2.2
105.07028	14.2
106.46848	1.0
107.08600	15.3
109.06513	3.5
109.10149	7.6
111.08075	2.6
117.07024	3.4
119.08589	15.4
121.06525	3.8
121.10144	22.5
123.08099	7.8
125.09649	3.5
128.06233	2.0
129.07018	3.8
131.08548	6.9
133.06494	2.3
133.10139	10.3
135.08058	4.4
135.11687	3.5
137.09596	7.6
139.07616	1.8
139.11180	3.9
142.07784	3.8
143.08580	6.1
145.06485	1.4
145.10141	10.8
147.08070	14.6
147.11694	4.2
149.09593	5.6
155.08530	3.8
156.09387	1.9
157.10141	20.0
158.10800	1.1
159.08057	4.1
159.11687	7.2
161.09605	8.5
161.13251	2.7
163.11217	4.9
165.09128	4.7
167.08569	1.7
168.09335	1.6
169.10138	4.4
170.10938	1.1
171.08058	1.8
171.11697	5.1
173.09706	5.1
173.13239	4.0
175.11192	4.2
175.14906	1.3
177.12706	3.1
180.09314	1.4
181.10178	2.5
182.10863	1.8
183.10228	2.3
183.11728	5.0
185.09676	3.7
185.13268	3.5
187.11108	2.9
187.14871	1.5
189.12712	2.7
191.14368	1.2
193.10161	2.1
195.11662	3.7
197.09669	2.4
197.13260	5.6
199.11208	2.6
199.14821	3.4
201.12814	4.0
203.10794	1.5
203.14366	2.9
207.11703	2.1
209.13255	3.3
211.11205	2.4
211.14842	3.0
213.12808	2.6
213.16373	1.3
215.14380	1.4
217.15944	2.1
221.13162	2.2
223.14844	3.2
225.12831	1.6
227.14465	2.0
237.12900	2.0
237.16469	1.7
239.14325	3.9
239.17857	1.5
241.12090	1.2
241.15869	1.9
253.16005	1.7
253.19485	1.5
257.15466	1.5
261.22104	1.3
263.17889	1.2
277.19400	2.1
285.18542	2.2
295.20779	1.5
305.18939	2.1
323.20059	13.5
325.21286	1.4
341.21088	3.4
379.26318	1.6
419.29462	5.0
429.27911	1.8
437.30289	2.5
439.00348	1.4
447.28833	12.9
465.30023	70.1
483.31042	100.0
484.31537	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01877	4.9
55.05505	2.1
58.22899	0.8
65.03936	1.0
67.05502	4.3
69.03426	3.7
69.07064	3.2
69.35500	2.6
69.35916	5.2
71.04996	1.0
73.09416	0.9
74.97067	0.9
77.03903	1.6
79.05498	8.7
81.03425	3.2
81.07066	5.0
83.04987	1.8
91.05488	14.0
93.07040	9.7
95.04976	7.6
95.08591	4.2
97.02865	1.5
97.06544	1.2
103.05474	3.7
104.06235	1.2
105.07039	33.6
107.04964	2.6
107.08602	5.6
109.06532	2.6
109.10165	2.7
115.05482	7.8
116.06220	1.1
117.07021	7.9
119.04952	1.0
119.08576	18.7
119.09358	1.4
119.16083	0.9
121.02876	2.1
121.06505	3.9
121.10144	3.0
123.08073	1.9
128.06242	6.4
129.07024	11.1
130.07813	0.9
131.04942	2.1
131.08577	11.2
133.06502	23.1
133.10124	8.7
135.04373	1.7
135.08073	3.8
137.09644	2.6
141.06996	7.6
142.07779	7.4
143.08566	16.7
144.05733	1.2
144.09386	1.6
145.06479	10.8
145.10126	7.7
147.04408	0.9
147.08069	13.6
147.11650	1.7
149.09634	2.7
151.07500	1.1
152.06233	1.6
153.07002	5.4
154.07767	3.5
155.08557	20.8
156.09340	7.2
157.06493	5.7
157.10132	13.8
159.08060	10.0
159.11713	2.7
161.05992	89.3
161.09637	8.3
163.07553	10.5
165.05542	2.4
165.07034	6.6
165.09131	2.0
166.07805	3.5
167.08597	8.4
168.09386	5.3
169.06471	4.8
169.10139	15.9
170.07320	1.4
170.10864	1.6
171.08054	8.0
171.11671	9.9
173.05991	1.3
173.09616	4.1
173.13341	1.5
175.07570	4.3
175.11263	1.1
177.09126	1.1
178.07864	1.0
179.08588	2.8
179.10645	1.3
180.09312	5.1
181.06540	1.7
181.10132	8.7
182.07249	1.3
182.10898	9.1
183.08069	16.5
183.11696	8.4
184.08881	3.0
185.09653	10.3
185.13188	4.4
187.07581	2.0
187.11211	2.8
187.14822	1.4
189.09207	1.5
191.08781	0.9
192.09367	3.0
193.10107	2.1
194.10966	2.5
195.08081	4.0
195.11717	10.0
196.08795	4.2
197.09613	6.0
197.13268	32.8
198.10406	2.4
198.14130	0.9
199.07597	5.0
199.11180	19.6
199.14835	8.0
201.09140	3.7
201.12689	6.0
206.10857	1.1
207.11693	6.5
209.09653	3.6
209.13240	4.4
210.10381	6.4
211.07639	1.1
211.11218	3.7
213.09171	2.7
213.12814	3.8
215.10693	1.6
215.14265	4.0
216.09445	1.0
217.10271	1.3
217.12282	1.1
219.11636	1.5
221.09669	1.2
221.13141	1.0
223.11191	2.9
225.09148	2.6
225.12747	60.7
226.13489	3.7
227.10718	7.1
227.14276	9.9
229.12314	1.1
230.10866	1.4
233.13301	1.1
235.11247	1.5
235.14857	1.2
237.12785	1.2
239.10710	3.7
241.12183	2.0
243.13820	41.3
245.15459	2.6
247.11220	1.9
247.14905	1.4
249.12563	1.6
251.10674	1.5
253.12239	2.1
261.12558	1.6
261.14969	2.5
265.12381	1.3
271.14807	0.9
273.12576	1.6
283.11499	1.0
284.11948	0.9
285.14920	4.3
289.12302	1.1
291.13730	1.0
299.14294	2.1
301.15784	1.3
303.15967	3.3
311.14355	1.5
313.12344	1.2
317.15436	1.0
319.13480	1.1
319.16943	1.0
327.13843	1.0
327.17377	1.0
329.15363	1.3
339.13809	1.5
339.17590	1.3
341.18976	1.6
343.17020	2.9
345.14825	2.1
345.18585	2.3
354.16312	1.0
357.18616	3.0
359.20053	5.2
361.17981	2.5
369.18634	6.6
375.19543	1.2
387.19559	29.1
405.20654	20.9
423.21738	3.3
447.21664	5.0
465.22818	4.8
483.23822	100.0
484.24188	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	483.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.03943	2.1
55.01877	15.6
55.05519	3.6
57.03431	1.1
57.07074	0.6
59.18427	0.5
65.03941	1.7
67.05511	6.4
69.03434	6.8
69.07074	7.9
69.20659	4.2
71.04984	1.9
77.03937	0.9
79.05059	0.7
79.05499	10.9
81.03426	12.9
81.07066	10.3
83.04981	4.2
83.08608	1.2
85.06534	1.4
85.15557	0.5
91.05486	38.8
92.05802	0.5
93.03428	0.6
93.07054	15.1
95.01349	1.1
95.04980	13.3
95.08617	8.9
97.06551	4.5
99.04456	1.8
101.91623	0.5
103.05481	4.1
104.06232	0.6
105.03394	0.6
105.04530	1.3
105.07039	25.5
107.04970	5.5
107.08605	13.0
109.06525	10.5
109.10154	4.4
111.08097	1.9
115.05462	15.9
116.06252	5.5
117.07033	28.5
119.04958	1.8
119.08589	37.1
119.27397	0.4
121.06519	6.7
121.10159	6.4
123.08077	3.4
123.11729	0.9
125.05994	0.8
125.09686	0.8
127.07589	0.7
128.06226	9.4
129.06029	0.7
129.07014	23.4
130.07825	4.0
131.04927	3.2
131.08577	29.4
132.05722	1.7
133.06522	4.7
133.07466	0.6
133.10141	23.9
135.04411	0.5
135.08064	8.1
135.11688	1.7
137.05956	0.9
137.09642	2.8
141.06984	6.2
142.07787	9.8
143.08572	22.7
144.05688	3.2
144.09348	2.2
145.06491	25.6
145.10133	19.7
146.07251	3.1
147.08058	71.1
147.11700	5.1
148.08414	0.7
149.06039	0.8
149.09628	6.2
149.13324	0.9
151.07568	1.0
151.11247	1.2
152.06140	0.7
153.07018	2.3
153.09102	0.9
154.07805	2.1
155.04927	0.5
155.06050	1.9
155.08572	9.3
156.09352	15.0
157.06549	3.7
157.10139	32.0
158.07285	3.5
158.10899	1.4
159.08067	70.8
159.11678	12.7
160.08652	0.7
161.06042	2.7
161.09631	45.9
161.13248	2.4
162.10004	0.6
163.07556	9.3
163.11215	1.3
163.14803	0.6
165.07008	4.4
165.09111	2.8
166.07762	2.8
167.07227	0.8
167.08565	4.5
167.10707	0.6
168.05740	0.4
168.09308	2.4
169.06485	1.3
169.10133	11.8
170.07289	1.7
170.10928	7.2
171.08081	10.9
171.11703	46.4
172.08794	2.3
172.12411	2.0
173.06017	11.2
173.07335	0.8
173.09636	21.8
173.13246	6.8
175.07576	5.9
175.11192	5.4
175.14833	1.2
177.09103	3.0
178.07820	1.2
179.08632	3.8
179.10661	5.9
180.09370	2.8
181.06482	1.2
181.10117	6.5
182.07245	2.2
182.10971	1.9
183.08095	5.2
183.11716	16.7
184.08865	2.6
184.12520	1.3
185.06001	0.9
185.09666	13.3
185.13269	26.5
186.10368	1.3
187.07558	12.7
187.11186	9.6
187.14804	3.5
189.09125	4.0
189.12724	2.3
189.16443	2.9
190.07791	0.7
191.08621	1.3
191.10699	4.4
192.09329	3.1
193.08623	1.0
193.10162	6.5
193.12227	1.5
194.07304	0.5
194.10959	2.3
195.08063	2.5
195.11716	7.8
196.08861	2.3
196.12483	0.9
197.09654	9.0
197.13280	7.2
198.10413	3.7
199.07544	2.0
199.11195	23.6
199.14891	1.2
200.12001	3.6
201.09122	6.2
201.10803	0.7
201.11140	0.6
201.12712	3.7
201.16406	0.9
202.07693	0.8
203.07040	1.5
203.08582	1.5
203.10722	4.3
203.14346	2.3
203.18063	0.9
204.09331	1.4
205.06677	0.5
205.08566	0.6
205.10191	2.9
205.12296	1.3
206.07193	0.6
206.10890	3.0
207.08112	1.4
207.09926	0.6
207.11732	6.9
208.08846	1.2
208.12523	1.6
209.09651	5.1
209.13264	6.0
210.10403	1.6
210.14221	0.6
211.07791	1.2
211.11182	6.3
211.14883	1.3
212.11787	0.7
213.09462	3.3
213.12753	22.3
215.08678	1.2
215.10695	4.9
215.14325	2.0
216.09375	2.3
217.08504	5.8
217.10274	1.5
217.12132	8.8
218.07262	0.5
218.10939	2.3
219.08165	1.0
219.10107	2.1
219.12096	3.0
219.13803	1.5
220.08841	0.8
220.12477	3.2
221.09741	3.1
221.13373	5.2
222.10458	1.8
222.13989	1.1
223.11235	7.1
223.14719	3.5
224.11969	0.9
225.09178	3.2
225.12735	3.5
225.16284	1.1
226.09901	0.7
227.08574	0.8
227.10693	6.1
227.14357	0.8
228.09210	0.7
229.08310	0.6
229.10182	2.2
229.12292	6.3
230.10954	2.0
231.07976	1.1
231.10094	2.3
231.11775	3.3
231.13783	20.8
232.08893	1.5
232.12338	2.4
233.09595	2.8
233.11690	2.0
233.13693	3.7
233.15553	0.9
234.10376	1.4
234.14066	1.1
235.11232	3.8
235.15038	2.8
236.12013	1.1
237.09103	1.2
237.12770	4.9
237.16402	1.1
239.08594	0.8
239.10706	5.9
239.14409	1.4
241.10114	1.0
241.12241	7.5
242.10909	1.5
243.11732	2.8
243.13896	2.0
244.12582	3.2
245.09567	1.5
245.11516	10.9
246.10359	2.2
246.14105	1.5
247.11183	4.4
247.12880	0.5
247.15245	2.8
248.12019	2.0
248.15698	0.5
249.08983	0.8
249.12857	3.1
249.14980	1.9
249.16801	0.9
250.13545	0.9
251.10719	1.5
251.14336	3.5
252.14912	0.7
253.08253	0.8
253.12309	2.0
253.15967	0.9
254.10930	0.8
255.11732	1.2
255.13962	1.1
256.12509	1.4
257.09494	0.5
257.13663	2.6
258.10315	1.0
258.14175	2.2
259.11069	1.7
259.13184	15.5
260.11896	3.2
260.15744	0.8
261.09033	1.0
261.12787	5.8
261.15405	0.5
261.16623	0.7
262.13522	1.5
263.10568	1.0
263.14639	3.4
263.17664	0.6
264.11624	0.7
264.15094	0.9
265.12375	1.1
265.15887	1.1
267.11533	0.8
267.14099	2.3
268.12616	1.3
269.09564	1.1
269.13315	2.5
269.15491	1.1
270.10434	1.3
270.13968	2.1
271.11353	2.7
271.14899	2.6
272.11978	2.3
272.15457	1.0
273.12811	5.9
273.16422	2.8
274.13599	1.6
275.10739	0.8
275.14359	3.9
276.11514	1.2
276.15131	1.4
277.12207	1.0
277.14352	14.4
278.13214	1.2
279.13901	4.0
281.15646	0.9
282.10495	1.1
282.13931	0.8
283.11197	2.4
283.14771	3.0
284.12128	2.1
284.15302	2.2
285.12769	3.9
285.16364	1.5
286.13589	3.0
286.16803	1.0
287.14365	6.2
287.17667	1.0
288.11633	0.8
288.15097	2.1
289.12302	2.9
289.15918	3.7
289.18832	0.6
290.13040	1.1
291.13837	3.4
291.17328	1.5
293.12323	0.5
293.15335	1.4
294.13937	0.8
295.13562	1.0
295.24197	0.7
296.11966	0.7
296.15732	0.6
297.12753	3.1
297.15445	1.6
298.10559	0.7
298.13629	3.2
298.16882	0.9
299.14374	5.5
299.18024	1.6
300.15051	3.4
301.12329	1.3
301.15930	7.9
302.13290	0.8
302.16687	2.0
303.13867	2.7
303.17535	3.9
304.14493	0.7
305.15417	1.9
305.18884	1.0
307.13309	1.4
309.15173	2.1
309.22229	1.8
311.14160	4.0
312.15033	3.5
313.12265	1.9
313.15915	4.8
313.19385	0.8
314.12967	1.4
314.16666	1.5
315.13834	2.4
315.17514	5.7
316.14557	0.6
316.18164	1.0
317.15421	2.5
317.19077	5.3
318.16083	0.5
318.19745	1.2
319.13101	0.6
319.16861	1.6
321.14951	1.1
325.12106	0.8
325.15842	0.7
326.16614	3.2
327.13788	2.1
327.17432	7.0
327.23315	1.6
328.14569	1.6
328.18362	2.5
329.15402	6.2
329.19098	3.7
330.16263	1.3
331.13522	0.5
331.16959	1.4
331.20670	2.9
333.14999	0.7
333.18533	1.4
335.16516	1.0
337.17722	0.6
339.13672	2.3
339.17422	0.7
340.14453	1.0
341.15271	0.8
341.19000	8.1
342.16364	1.4
343.16956	2.1
343.20599	1.3
344.17770	0.9
345.14749	1.3
345.18536	7.1
346.19275	0.9
347.16449	3.9
347.20288	1.1
349.17957	1.3
349.25162	0.5
354.16150	2.6
357.14603	0.9
357.18488	5.6
358.15530	0.6
359.16037	0.7
359.20087	10.5
361.18005	3.1
361.21838	1.7
363.15790	0.8
363.19687	2.7
365.17416	0.6
369.18561	8.4
372.17255	0.7
375.19571	12.7
375.24280	0.7
376.20435	0.7
377.21179	13.6
379.18890	2.2
381.20706	1.8
387.19568	28.8
388.19727	0.5
393.20590	5.5
395.22156	2.8
397.20111	0.7
405.20636	58.5
406.21057	1.3
423.21674	30.4
424.22238	0.5
433.31070	1.2
437.23465	0.8
441.23059	1.5
447.21613	2.3
451.32245	0.9
465.22760	33.3
466.22876	0.6
483.23831	100.0
483.35016	2.6
484.24344	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	483.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.8
55.05513	2.0
67.05495	5.8
69.03425	2.6
69.07071	3.1
79.05493	10.5
81.03419	3.1
81.07058	4.8
83.04992	1.1
91.05491	14.8
93.07050	10.0
95.04983	7.6
95.08609	4.1
97.02899	1.3
97.06538	2.2
103.05456	5.0
105.07041	32.6
107.04963	2.8
107.08608	5.5
109.06538	3.6
109.10172	3.1
111.08051	1.1
115.05442	8.1
117.07026	10.2
119.04947	2.3
119.08582	19.1
121.06528	3.8
121.10159	4.2
123.08084	2.5
123.11794	1.2
128.06244	5.3
129.07016	10.4
131.04950	2.3
131.08571	13.7
133.06503	20.9
133.07449	1.5
133.10117	9.3
135.08044	5.4
137.09662	2.2
141.06993	6.1
142.07805	6.6
143.08560	15.5
145.06493	15.7
145.10106	7.9
146.07234	1.4
147.04367	0.9
147.08066	19.7
147.11703	2.3
149.09641	5.0
152.06323	1.2
153.07001	3.9
154.07806	3.7
155.06093	1.3
155.08572	17.8
156.09357	5.3
157.06538	6.0
157.10139	17.3
158.07248	1.8
159.08061	14.4
159.11714	4.3
161.05991	85.3
161.09656	8.4
163.07552	6.2
165.07053	6.2
165.09154	2.5
166.07813	3.6
167.08595	8.5
168.09422	3.5
169.06479	3.8
169.10112	15.2
170.07274	2.7
170.10947	1.8
171.08044	10.0
171.11682	10.5
173.06018	2.6
173.09622	6.0
173.13292	3.0
175.07578	4.1
175.11244	2.1
177.09143	1.3
178.07703	1.2
179.08614	5.1
179.10709	2.1
180.09361	4.0
181.06496	2.2
181.10115	7.1
182.10889	9.0
183.08093	13.7
183.09564	1.5
183.10143	1.3
183.11667	10.0
184.08905	3.2
184.12524	1.5
185.09605	7.7
185.13275	8.7
187.07539	1.6
187.11209	3.0
189.09157	2.5
192.09416	1.8
193.10159	2.9
194.10915	2.1
195.08064	4.4
195.10019	1.7
195.11678	8.4
196.08853	5.4
197.09657	7.2
197.11420	2.2
197.13271	30.6
198.10406	1.5
199.07545	7.1
199.11205	17.0
199.14819	6.0
201.09158	2.9
201.12730	5.4
203.08763	1.7
203.10629	1.5
203.14334	1.1
206.11089	1.4
207.11681	6.1
209.09665	4.0
209.13199	5.9
210.10396	4.8
211.11234	4.3
211.29639	1.2
213.09196	2.9
213.12744	9.6
215.14313	5.7
217.12250	1.9
221.09627	1.6
221.13293	2.2
223.11249	4.6
225.09230	2.2
225.12750	51.0
226.13463	3.4
227.10791	5.3
227.14301	11.9
229.10167	1.9
229.12253	1.9
231.11746	2.0
231.13808	2.3
233.09749	1.7
233.13376	1.8
239.10687	2.4
241.12288	1.9
243.11803	1.4
243.13821	39.3
244.14359	1.3
245.09546	1.5
245.15437	4.8
246.14087	1.1
247.11316	1.5
247.14928	2.5
249.09779	1.3
249.12747	1.8
251.10623	1.8
255.11653	1.2
261.12662	2.4
261.15036	2.4
263.14276	1.7
273.12494	2.2
273.15094	2.0
275.14355	1.8
285.14993	4.7
286.13614	1.3
291.13821	1.6
297.12601	1.5
299.14392	2.2
300.15036	1.4
301.15997	1.8
303.16312	1.8
311.14249	1.6
313.16006	1.2
315.17203	1.1
317.19141	1.5
327.17630	1.5
329.15479	1.7
329.19205	1.2
331.16949	1.8
343.17035	4.1
345.14764	1.2
345.18640	2.1
346.19177	1.2
347.16452	1.5
348.42505	1.1
349.18103	1.4
354.16107	1.3
357.18640	3.3
359.20233	5.7
361.18100	2.8
363.19769	1.3
369.18576	6.1
375.19559	3.0
377.21191	3.6
387.19583	27.2
393.20352	1.4
395.22617	1.3
405.20645	29.9
423.21716	9.3
447.21646	5.2
465.22852	8.6
483.23834	100.0
484.24106	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
61.02931	1.3
67.05493	1.7
69.03423	4.6
69.07076	0.8
69.47216	2.6
69.47623	1.4
70.06589	1.7
71.04984	0.7
77.06151	0.6
79.05493	0.9
81.03419	2.9
81.07037	1.3
85.02907	11.5
85.06538	1.1
91.05471	1.7
93.07029	1.6
94.06583	1.8
95.08614	1.2
97.02921	4.1
97.06562	1.3
99.04434	0.8
103.03992	0.7
103.05460	0.7
105.07019	0.8
107.04989	0.9
107.08559	0.7
108.08120	1.1
109.02872	1.9
111.08077	0.8
112.07584	0.8
115.75900	0.7
116.07056	1.5
118.06547	0.9
118.47606	0.6
120.08087	1.2
121.10102	0.8
122.06059	1.8
123.08167	0.8
127.03915	2.4
131.08536	1.0
136.07571	2.1
138.05457	1.1
139.03918	1.3
141.09088	0.9
145.04912	1.5
145.07593	1.0
146.08388	0.9
148.07561	0.8
151.03960	0.9
152.05797	0.7
152.07018	0.9
164.07108	1.1
173.07112	5.9
184.11279	1.3
194.09793	1.6
196.09891	6.0
197.10693	1.5
199.16890	0.7
202.10901	0.9
203.11919	1.2
206.06570	1.3
206.08385	15.8
209.07123	1.7
209.10826	0.7
210.11432	1.3
211.08766	1.2
211.12317	10.7
212.10992	0.9
220.09943	2.2
221.10724	6.8
223.08681	4.6
224.09483	6.3
227.08128	2.8
227.11990	0.8
237.10225	2.5
238.11008	5.3
239.08200	1.5
239.11810	21.9
241.09734	2.3
244.12012	1.3
252.08740	0.9
254.10313	0.9
257.12900	6.8
258.11234	1.4
267.11295	48.0
272.11627	4.0
275.13889	3.1
285.12350	53.0
290.12579	1.0
303.13391	100.0
321.14505	16.0
349.27307	0.9
448.18997	0.9
465.18277	1.8
483.13776	4.7
483.20551	1.6
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
51.05185	0.8
53.03947	1.4
55.01870	1.1
57.03428	1.7
61.02925	1.9
67.05544	1.3
69.03429	6.5
69.07084	1.2
71.04990	2.0
72.40462	0.8
73.02927	1.4
81.03406	2.8
85.02905	16.3
91.59987	0.8
94.06583	2.5
97.02913	5.5
97.06557	1.9
98.49093	0.9
105.05805	1.2
107.05029	0.9
108.08142	3.3
109.02911	2.1
110.89624	0.9
112.07583	5.2
113.52094	0.8
118.06576	4.9
121.05271	1.6
122.06020	3.3
124.07593	1.0
127.03925	3.2
128.04980	1.5
136.07608	3.4
144.08122	0.8
145.04958	2.3
145.07590	7.3
146.06001	4.5
146.08383	2.4
158.09602	1.2
173.07108	53.7
173.10716	1.5
174.07912	5.0
174.11641	1.0
175.12303	1.1
184.11270	1.2
189.10191	4.4
196.09886	4.7
197.10692	2.2
201.10214	1.9
202.10852	5.4
203.11784	6.5
206.08351	9.5
209.07153	0.9
210.11366	1.3
211.12276	6.1
212.10664	1.1
216.18207	0.9
220.09892	2.1
221.10770	3.9
223.08777	2.8
224.09427	5.2
225.10265	1.0
227.08115	1.6
229.13443	2.5
232.12111	2.4
237.10226	2.4
238.11015	2.9
239.11790	14.1
241.09706	1.3
244.12120	6.4
257.12833	23.5
258.11160	1.5
262.13165	3.7
267.11298	36.5
267.14053	2.1
272.11481	1.9
273.12701	0.9
275.13916	16.7
285.12335	43.9
286.10538	1.3
290.12628	5.2
293.14944	1.6
296.76804	1.2
303.13379	100.0
304.13593	1.3
321.14450	88.2
465.18546	1.6
483.19968	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	483.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01867	0.8
55.70246	0.5
57.03425	1.2
61.02922	1.9
64.54150	0.4
69.03442	4.7
70.06569	0.5
70.79280	0.9
71.04967	0.5
73.02925	0.6
79.05484	0.7
81.03408	1.6
85.02907	8.6
94.06555	1.0
97.02915	3.7
108.08102	0.7
109.02880	1.4
110.06065	0.6
111.04391	0.5
120.08084	0.7
122.06033	0.9
127.03911	1.7
134.06052	0.5
136.07565	0.9
138.05484	0.9
145.04962	1.2
146.08371	0.6
148.07481	0.5
149.05989	0.6
162.05563	0.6
166.08672	0.7
168.08162	0.8
173.07210	0.5
180.08078	0.6
181.08908	0.8
182.09686	0.7
183.09187	1.0
184.11217	1.1
185.07034	1.0
194.09659	1.3
195.05492	0.7
195.09158	1.9
196.09940	7.0
196.11470	0.6
197.10675	2.8
199.08691	0.7
206.08398	17.6
209.07108	2.1
209.10727	1.0
210.07846	0.8
210.11569	1.4
211.08585	0.9
211.12318	9.6
212.10841	0.9
213.10138	0.6
220.10002	3.1
221.10773	8.7
223.08687	5.0
224.09451	7.3
225.10263	1.5
226.11014	1.3
227.08157	2.7
227.11760	0.7
229.13356	1.0
237.10303	3.3
238.11026	6.5
239.08017	1.5
239.11798	23.9
241.09770	1.9
241.13483	0.8
243.11261	0.9
252.09061	0.8
254.10504	1.6
255.11237	0.8
257.12848	4.9
258.11295	0.9
267.11298	54.9
268.11945	0.6
271.10843	0.7
272.11627	4.5
275.14130	0.7
276.12329	0.6
285.12350	55.4
286.12735	0.7
287.13797	0.9
294.85846	0.6
303.13397	100.0
304.13910	0.7
321.14413	6.1
465.18777	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02071	1.0
56.96572	2.9
70.62016	1.0
71.04979	0.9
73.92355	1.2
88.06757	1.0
98.97591	22.3
115.68221	0.9
116.98620	11.3
134.99664	3.0
156.96581	1.9
166.61577	1.3
172.94368	1.5
174.97687	6.6
174.98993	0.9
190.95433	1.3
192.98701	3.5
198.97701	1.0
208.96605	1.6
214.95642	9.9
216.98761	5.6
232.96686	13.1
233.97032	1.0
234.99733	4.8
238.95618	2.0
240.98863	1.9
250.97716	5.9
256.93939	2.2
256.96683	39.2
257.96967	1.3
258.99857	14.2
259.99750	1.5
261.03049	1.6
274.97714	66.0
275.35413	0.9
275.97772	2.5
276.98175	1.5
277.00894	12.1
278.01288	1.1
280.96823	3.4
282.99908	9.9
292.98697	8.6
297.99374	1.6
298.97763	88.6
299.97980	2.2
301.01111	8.4
303.82001	1.1
316.98822	100.0
317.98993	2.2
332.96512	2.1
335.00034	2.1
340.00354	2.7
340.98541	2.4
356.96777	2.0
358.99854	7.1
374.97800	3.2
382.99786	1.5
398.97757	6.1
416.98953	13.1
422.97928	5.8
440.98944	89.0
441.98978	3.7
443.02173	1.4
458.99997	83.4
460.00253	5.4
462.43082	1.3
482.01392	3.7
482.99753	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
53.87972	1.1
55.01865	4.8
55.05503	6.3
57.03438	6.1
61.02923	1.7
67.05503	10.3
69.03422	5.6
69.07076	1.8
70.06593	3.0
71.04977	3.7
71.55737	1.4
71.56096	1.8
74.31026	1.1
76.53667	1.2
77.66724	1.2
79.05497	11.3
80.73107	1.1
81.03421	27.5
81.07050	13.3
83.04967	7.7
83.08622	10.5
85.02907	16.4
85.06509	3.3
86.09711	7.8
87.10031	1.5
91.05483	12.7
93.07043	10.6
95.04969	12.6
95.08606	5.4
97.02892	5.2
97.06555	3.6
97.10178	3.6
99.04475	2.2
101.05984	1.7
104.10762	3.4
105.07011	9.8
107.04955	4.2
107.08589	16.0
109.02882	5.8
109.06501	2.7
109.10153	3.2
111.04443	4.4
111.08084	11.8
117.06970	1.7
118.06546	1.2
119.08605	9.1
120.08124	2.7
121.06563	1.7
121.08458	1.4
121.10140	10.4
123.08064	2.2
123.11718	2.1
125.06042	2.1
125.09619	15.6
127.03925	7.5
129.07019	3.8
130.05009	2.1
131.08566	3.8
133.10126	4.0
135.08081	9.0
135.11710	1.7
137.05960	2.4
137.09633	2.6
139.07532	3.5
139.11197	1.6
143.06969	2.5
147.11671	7.2
149.09610	4.3
151.03960	8.0
153.09109	32.3
155.07024	2.4
157.08607	14.6
157.10115	7.5
163.07469	6.5
163.11200	2.0
164.66379	1.2
166.08696	2.0
167.10715	3.0
175.11162	8.7
176.07094	4.3
181.08600	14.9
181.12212	3.5
184.07301	2.6
193.12250	27.5
199.09647	24.8
199.13274	6.0
211.13298	19.4
217.14355	1.6
221.78934	1.3
231.12309	1.7
267.15924	8.7
267.19427	1.7
284.50528	1.4
285.16965	100.0
303.21698	1.6
304.44525	1.4
307.11896	2.3
325.12909	13.4
343.13770	7.1
393.17599	1.5
429.21423	2.3
447.22345	1.5
482.17679	2.0
482.24088	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
54.62056	0.6
55.01867	1.2
55.05518	6.2
57.03453	4.3
61.02916	2.7
65.03956	0.7
67.05511	6.7
69.03427	3.4
69.07058	2.9
69.56995	1.3
69.57398	3.2
70.06561	1.8
71.04975	2.3
73.02914	1.0
79.05505	7.0
81.03423	31.1
81.07060	12.2
83.04990	7.3
83.08624	10.3
83.94681	0.7
85.02911	11.8
85.06557	1.5
91.03950	0.9
91.05480	8.6
93.07055	6.7
95.04977	10.8
95.08601	4.4
95.21882	0.7
97.02895	2.7
97.06533	2.9
97.10188	1.5
98.21423	0.9
99.04476	0.7
101.06002	1.2
105.07039	7.3
107.04955	3.9
107.08607	3.9
109.02897	1.3
109.06526	2.6
109.10159	1.8
111.04460	1.9
111.08092	8.9
113.05992	1.0
116.76693	0.6
119.08591	8.0
119.14817	0.7
121.06509	1.0
121.10122	5.0
123.08042	2.1
123.11724	1.4
125.06007	1.8
125.09641	0.8
127.03913	1.1
129.07076	3.5
130.04985	1.6
131.08566	5.5
133.06517	1.6
133.10101	4.5
135.08115	0.9
135.11694	0.8
137.05984	4.6
137.09602	1.0
138.06337	1.5
139.07535	1.8
139.11169	0.7
143.07051	2.0
145.10127	0.8
147.08029	1.6
147.11700	6.3
149.09648	4.6
150.62088	0.6
151.03920	5.6
151.07568	1.4
152.08133	0.8
153.09125	0.8
157.08604	6.9
157.10138	8.4
163.11049	0.7
165.12755	1.9
167.07039	0.9
175.11188	8.6
181.12260	0.8
193.12263	33.3
199.09653	1.2
199.13313	1.8
201.11105	0.8
211.13309	22.1
267.15939	11.4
267.19171	1.0
273.52557	0.8
281.09109	1.6
285.16980	100.0
286.17459	1.4
299.94092	0.8
303.18066	1.8
323.10312	0.8
359.12415	4.4
393.17798	0.8
429.21042	1.6
447.22086	1.0
509.25330	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3315
Annotation	Rhabdastrellin F
Peak:m/z	Relative Intensity
53.03949	3.6
53.74055	0.8
55.01873	1.0
55.05517	3.1
65.03956	1.4
67.05505	6.9
69.03441	2.1
69.07071	6.3
71.04989	0.9
75.67998	0.8
77.03935	1.1
79.05492	4.9
81.07065	7.3
83.04982	1.5
83.08640	2.4
91.05484	19.6
91.06001	1.1
93.07049	100.0
95.04956	6.7
95.08607	12.4
95.28661	0.8
97.06564	3.6
99.08072	1.2
105.04563	1.9
105.07034	7.8
107.08591	9.3
107.09160	0.8
109.06518	2.0
109.10165	6.6
111.08110	2.9
117.07043	2.3
119.08589	10.4
121.06510	12.1
121.07262	1.1
121.10133	7.7
123.08128	2.8
123.11739	1.9
125.09621	6.7
127.07581	2.4
129.07033	2.2
131.08592	4.6
133.10106	5.7
135.08159	1.7
135.11710	2.1
137.09621	4.1
139.07597	1.1
142.07826	1.3
143.08553	5.4
145.10126	8.9
147.08133	1.1
147.11700	5.8
149.09651	1.5
149.13295	1.3
151.11195	1.2
153.09111	20.6
155.08597	3.0
156.09424	2.6
157.10150	11.1
159.08060	1.6
159.11676	7.5
161.09590	1.8
161.13269	2.0
163.11157	1.3
165.09093	1.6
167.08670	1.4
169.10141	6.0
171.11650	6.4
173.09593	1.4
173.13249	4.4
175.11322	2.2
175.14896	2.1
179.08644	1.2
181.10158	4.4
182.10918	1.2
183.11710	6.7
185.09744	1.1
185.13281	5.4
187.11308	1.6
187.14873	1.2
189.12828	1.0
193.10196	2.2
193.50320	0.8
194.10995	0.9
195.11746	5.3
195.13586	0.8
196.12526	1.5
197.13277	7.0
198.35309	0.9
199.11240	1.2
199.14871	2.3
201.12840	0.9
201.16519	1.6
203.14371	1.2
205.10109	1.2
207.11774	4.3
207.13686	1.1
208.12640	1.3
209.13235	5.8
210.14027	1.0
211.14819	4.9
213.12967	1.3
213.16492	2.7
215.18175	0.8
218.10902	0.9
219.11694	1.9
221.13351	4.0
223.14813	5.1
225.12852	1.6
225.16380	4.2
227.14366	0.9
229.16034	1.5
231.11693	1.6
232.12453	1.3
233.13347	2.4
234.14018	2.0
235.14867	4.1
236.15640	1.0
237.16382	4.6
239.14630	1.0
239.18056	3.1
243.17633	1.1
244.12732	1.2
245.13295	1.3
246.14203	1.6
247.14929	2.9
248.77769	0.9
249.12668	1.6
249.16428	5.0
251.18037	3.8
253.19635	2.5
258.14313	0.9
261.16321	6.1
263.15591	1.2
263.17963	6.1
265.19589	2.6
267.17584	1.4
267.20963	1.3
275.18115	3.4
276.18716	0.9
277.16348	1.4
277.19641	4.0
279.17645	1.7
279.21155	1.7
281.19156	2.1
283.20602	1.3
287.17764	1.1
289.16022	1.3
289.19653	2.8
291.17523	1.3
291.20975	1.7
293.19113	4.4
293.22659	1.7
295.20810	2.3
297.22079	1.4
303.21048	1.1
307.20551	2.3
307.23947	1.4
309.18753	1.1
309.22235	1.8
311.20090	2.2
311.23703	2.6
313.21741	1.2
315.20724	1.5
317.22668	2.9
319.24301	3.9
323.20041	1.3
323.23727	1.1
325.21667	2.0
327.23325	3.7
329.25140	2.0
331.24240	1.3
333.22275	2.1
335.23831	1.7
337.21918	1.4
339.19635	1.1
345.22302	1.3
347.23804	5.4
349.25491	1.3
361.25421	1.1
365.24759	3.8
367.26453	1.6
375.23425	2.5
377.24680	4.1
379.26291	8.9
385.29150	1.9
391.30026	1.3
393.24179	1.4
395.26044	1.4
403.30002	9.7
405.28027	0.9
407.25986	2.7
413.28223	1.4
419.29602	3.5
421.31149	10.8
425.26797	1.6
431.29538	6.6
433.30865	0.9
445.30917	2.6
449.30518	7.8
451.32278	3.3
463.32123	38.4
481.22253	2.2
481.33267	50.5
482.33478	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96666	0.4
53.03943	1.0
55.01874	0.5
55.05483	0.5
67.05502	0.8
69.03438	0.5
69.35275	1.3
69.35700	1.9
70.17895	0.4
71.67406	0.4
75.14267	0.4
75.54070	0.4
75.80370	0.3
78.04714	2.3
79.05503	3.3
81.03413	0.8
81.07048	1.4
81.54242	0.4
83.04956	0.5
84.04520	0.4
85.02930	0.7
87.80946	0.4
91.05495	2.2
93.07050	0.9
95.04961	1.0
95.08600	0.9
97.02841	0.5
97.06519	0.5
100.11249	0.9
103.05478	4.1
105.07037	5.6
106.04165	1.3
107.04960	6.2
109.06496	0.8
115.05466	1.7
117.07012	1.5
119.08606	0.8
121.06522	2.3
123.04450	5.5
123.08068	0.9
124.05219	2.4
125.05992	0.6
129.07002	0.9
130.04988	0.6
131.04936	7.5
131.08582	1.1
133.06505	5.6
134.03632	0.4
135.08119	1.8
137.05991	3.5
138.05356	0.3
141.06973	1.0
143.04898	0.8
143.08521	0.5
144.05708	0.8
145.06511	2.8
145.10136	0.9
147.04420	2.3
147.08037	0.6
149.05997	1.0
151.03891	1.2
151.07553	4.1
152.04669	1.7
153.05479	0.8
155.08521	0.6
156.05695	0.5
157.06439	0.4
158.07306	1.0
159.08069	1.3
161.05989	6.2
161.09659	0.7
163.07558	13.5
165.09079	0.7
167.07051	100.0
172.05135	0.6
173.05988	2.0
173.09631	1.2
175.07553	1.6
177.09132	2.8
179.07077	3.3
181.08601	5.3
187.07561	2.8
188.06956	0.4
189.09018	0.6
191.07025	0.4
192.07689	0.6
193.08627	18.0
201.09123	1.4
202.07863	0.4
203.08560	0.5
205.08597	1.4
207.10211	1.0
211.15286	0.4
216.06631	0.5
216.10181	0.7
217.08650	0.6
219.10181	3.0
233.11768	2.4
234.07578	1.9
237.11272	1.8
248.08299	0.7
251.12883	0.8
263.10715	1.3
289.90533	0.4
291.10052	0.5
295.13345	0.9
323.12900	2.1
355.15417	13.5
364.07263	0.4
387.18048	11.6
405.19101	15.3
422.20810	0.5
482.37903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3313
Annotation	Kermadecin E
Peak:m/z	Relative Intensity
53.03948	2.4
55.01874	0.7
55.05513	12.3
57.07071	1.7
62.57219	0.4
65.03945	1.2
67.05508	8.8
69.03441	0.6
69.07065	4.5
70.78743	0.5
71.05003	0.5
79.05495	21.3
81.07057	100.0
83.04984	18.5
83.08626	2.1
85.06536	3.1
86.78151	0.5
87.04456	0.7
91.05480	13.0
93.07047	13.9
95.04984	1.4
95.08605	16.4
97.06525	0.6
97.10151	0.9
101.06022	0.6
105.07037	12.3
107.04952	0.9
107.08600	20.1
109.06521	37.4
109.10155	10.2
111.08110	0.9
117.07030	4.3
117.69004	0.5
119.08577	18.5
121.06503	1.0
121.10152	14.0
123.08068	1.8
123.11702	10.2
125.09637	0.7
128.06201	1.1
129.07013	3.1
130.07846	0.7
131.08569	8.2
133.06544	0.6
133.10143	12.0
135.08066	9.8
135.11679	8.1
137.09630	2.4
137.13245	2.1
141.06966	0.6
142.07806	1.7
143.08542	4.0
144.09331	1.2
145.10130	9.7
147.08035	1.1
147.11670	8.5
149.09634	15.7
149.13234	2.7
151.07558	1.7
151.11188	2.7
155.08542	1.9
157.10138	5.8
158.10930	0.8
159.08073	0.7
159.11696	9.2
161.09596	3.2
161.13274	5.4
163.11214	2.1
163.14885	1.7
167.08693	0.6
169.10139	2.2
170.10965	0.6
171.11691	6.0
173.13289	7.8
175.11168	3.2
175.14835	4.7
176.12045	0.7
177.09126	1.2
177.12814	0.8
177.16386	1.0
179.10704	2.0
181.10056	1.2
183.11642	3.1
185.13297	4.1
187.11224	1.3
187.14755	5.5
189.12787	1.7
189.16365	7.4
189.17917	0.8
191.14305	0.8
191.17970	1.2
193.10379	0.9
193.12259	7.8
195.11624	0.9
197.13327	2.2
198.13892	0.6
199.14822	5.0
201.12820	2.6
201.16356	4.5
203.14359	2.0
203.17966	3.6
209.13338	1.2
211.14879	1.2
213.16386	3.2
215.14362	1.7
215.17946	7.7
217.15826	1.2
217.19565	0.9
219.13933	0.6
223.14919	0.8
225.12717	0.6
225.16455	0.8
227.14368	2.2
227.17903	3.2
229.15915	0.6
229.19511	8.6
231.17595	0.6
231.21077	3.6
235.14873	0.7
237.16144	0.7
239.18051	0.8
241.15959	0.8
241.19571	0.7
243.17445	0.8
243.21210	1.5
245.15118	0.6
245.22734	2.2
249.16531	0.9
251.18015	0.7
253.19788	0.8
255.21112	5.0
257.19214	1.1
259.16757	0.8
267.17432	0.6
271.20667	1.9
272.21393	1.4
273.22147	17.7
293.22699	1.3
295.24384	0.5
319.24319	1.4
321.25803	1.0
335.27258	0.7
337.25256	6.0
339.26874	1.7
353.28482	0.9
363.26834	7.7
371.25842	1.0
373.27393	0.8
381.27896	31.4
382.28308	0.7
411.28976	0.7
451.32135	0.8
463.32132	4.9
481.33136	88.5
482.33282	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.05512	9.4
57.07056	5.2
65.03945	1.6
67.05236	1.1
67.05504	11.7
69.03414	3.3
69.07070	12.3
69.48074	9.2
71.04980	5.0
73.06555	1.6
79.05499	10.5
81.06653	1.9
81.07059	20.6
83.04935	2.6
83.08601	5.8
85.02900	5.8
91.05475	10.8
91.70594	1.3
93.07042	38.8
95.04944	3.7
95.08599	23.4
97.06532	8.0
97.10133	3.0
98.21481	1.8
99.04440	1.8
99.64595	1.2
105.07027	17.0
107.08594	28.0
109.06512	3.7
109.10152	13.1
111.08080	8.6
113.05992	2.4
115.07594	1.3
117.07008	3.9
119.07795	2.0
119.08578	22.0
121.06510	10.2
121.10151	18.3
123.08075	9.3
123.11710	9.3
125.09618	4.1
128.06226	2.0
129.07005	3.9
131.08556	17.0
133.10152	14.8
135.08026	5.6
135.11687	8.2
137.09578	5.5
137.13220	3.8
141.06969	2.6
141.09099	2.5
142.07764	3.7
143.08571	14.0
144.09308	3.6
145.09061	1.5
145.10124	20.9
147.08057	3.7
147.11684	8.0
149.09602	3.3
149.13232	5.1
151.11180	4.3
153.09102	11.4
155.08546	8.4
156.09346	3.1
157.10127	24.3
158.10837	1.8
159.08102	1.8
159.10442	2.6
159.11700	31.0
161.09605	3.6
161.13249	8.0
163.11151	2.9
163.14777	6.5
165.06976	2.0
165.09087	2.0
167.08543	2.9
168.09355	3.1
169.10112	22.9
170.10916	3.1
171.11688	16.5
172.12457	1.6
173.09586	4.3
173.13266	16.8
175.11188	3.4
175.14845	6.0
177.12767	3.0
179.08556	3.4
179.10645	1.2
181.10086	13.0
182.10880	5.3
183.11691	30.1
184.12489	1.8
185.09616	2.4
185.13240	22.1
187.11140	5.8
187.14836	6.6
189.12740	2.5
189.16339	4.0
191.14320	2.7
192.09326	1.5
193.10139	7.0
194.10855	2.6
195.11702	15.0
196.12511	3.6
197.09743	1.4
197.13274	13.0
199.11192	2.1
199.14813	8.5
201.12715	3.7
201.16371	4.2
203.14389	1.7
205.12395	1.3
206.10876	1.9
207.11676	6.2
208.12508	4.4
209.13243	16.1
210.13980	4.8
211.11140	2.3
211.14819	13.0
212.15466	1.2
213.12732	4.6
213.16380	7.6
215.14349	3.6
215.17880	2.6
219.11795	1.9
221.13278	8.0
223.14803	44.8
224.15535	2.3
225.12720	4.0
225.16357	49.9
226.17061	3.8
227.14276	5.5
227.17995	3.5
229.15875	3.6
233.13232	3.8
235.14761	4.6
237.16412	5.2
239.14282	3.4
239.17937	5.2
241.15790	4.3
243.13686	1.3
247.14728	4.3
247.17046	1.7
248.95981	1.2
249.16386	10.1
251.14308	2.5
251.17801	3.5
255.17580	1.6
257.15317	2.0
257.18964	4.1
261.16245	1.6
263.17914	4.2
265.15823	8.0
265.19049	2.6
267.17459	9.5
269.15335	2.3
269.18823	2.2
271.16992	2.5
277.15869	1.5
277.19229	2.9
279.17554	2.3
279.21017	5.7
281.19086	8.8
283.20578	1.9
285.18509	5.5
289.19467	9.4
291.17252	1.5
291.20749	1.4
293.19006	1.8
295.20602	3.4
296.21213	10.7
296.54401	1.5
297.22089	16.5
297.64560	1.5
298.22754	2.2
305.19067	3.4
307.20508	24.2
309.22134	1.7
321.22031	2.3
321.25613	2.3
323.20010	5.3
325.21600	100.0
326.21951	1.7
327.23181	3.2
331.24106	4.1
347.23645	4.6
349.25177	6.4
365.24701	2.1
373.24976	2.0
379.24622	4.1
381.27948	5.5
391.26343	3.0
393.31497	3.3
403.30066	6.1
413.28174	2.9
420.44608	1.5
421.30908	29.6
431.29443	17.1
449.30521	38.5
453.33661	4.5
463.32095	6.4
481.31519	72.1
505.21848	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3313
Annotation	Rhabdastrellin F
Peak:m/z	Relative Intensity
50.97550	0.9
50.97777	1.0
55.01870	2.0
55.05516	6.2
57.07086	1.2
67.05508	9.3
69.07079	6.0
71.55665	1.4
77.03937	1.1
79.05493	5.8
81.03442	1.2
81.07063	11.0
83.04978	2.4
83.08622	2.4
83.99727	1.0
85.14288	1.0
91.05479	10.6
93.07053	17.4
95.04982	3.0
95.08613	14.0
97.06531	2.6
97.10167	1.4
103.05477	1.1
105.03412	3.3
105.07032	16.4
107.08600	23.9
109.06499	2.1
109.10175	9.6
111.08072	4.7
112.11996	0.9
115.05445	1.6
117.06997	6.3
119.08588	15.7
121.06490	3.0
121.10155	12.7
123.08086	3.6
123.11735	1.9
125.09652	3.5
128.06215	1.7
129.07016	4.8
130.07790	1.1
131.08574	10.9
133.06523	2.3
133.10130	11.8
135.08087	3.4
135.11702	6.1
137.09596	4.9
141.07019	2.9
142.07784	3.8
143.08565	11.4
145.06453	1.5
145.10120	16.9
147.06941	1.1
147.08023	4.7
147.11719	9.1
147.75310	0.9
149.09625	3.3
149.13261	4.1
151.11223	1.8
153.09116	1.3
154.07764	1.6
155.08554	7.2
156.09361	4.3
157.10135	22.0
159.08095	2.2
159.11700	16.9
161.09645	3.5
161.13232	4.6
163.07565	2.0
163.11174	3.1
163.14764	1.1
165.07036	2.6
165.09151	2.3
167.08609	2.8
167.10773	1.4
168.09323	2.2
169.10168	11.0
170.10904	2.2
171.08028	3.2
171.11694	15.4
172.12354	1.5
173.09637	2.5
173.13235	10.5
175.11205	3.0
175.14871	3.0
177.09061	1.2
177.12766	1.6
179.08559	1.8
179.10710	1.0
180.09410	1.4
181.10147	5.4
182.10927	2.9
183.11696	15.4
184.12547	0.9
185.09647	1.8
185.13257	13.1
187.11197	3.6
187.14804	6.5
189.12828	2.2
189.16342	1.5
193.10136	3.0
194.04611	1.1
194.10893	1.5
195.11734	7.8
195.13326	1.5
196.12445	1.8
197.09666	1.2
197.13275	13.0
198.14172	1.0
199.11098	2.1
199.14822	10.0
199.35062	1.0
201.12814	2.1
201.16370	4.7
203.14372	2.0
205.12311	1.5
206.10852	1.9
207.11795	5.8
207.13559	1.0
208.12471	1.9
209.13286	7.3
210.13965	1.7
211.11334	1.6
211.14870	8.6
213.12775	4.1
213.16382	4.7
215.18030	1.7
217.12213	2.9
217.15756	1.4
219.11679	2.5
220.12672	1.2
221.13274	7.2
221.15289	1.8
223.11337	1.4
223.14806	12.5
225.12767	2.4
225.16451	5.0
227.14391	1.7
227.17854	1.6
231.11725	1.2
233.13284	2.5
233.15372	1.7
234.14091	1.6
235.14816	5.6
237.12715	1.7
237.16435	4.4
239.14314	1.3
239.17999	2.7
241.15930	2.9
243.13985	1.1
245.13245	1.4
245.15564	1.1
246.14056	1.1
247.14859	3.1
249.16444	3.5
250.17181	1.7
251.14030	1.1
251.17944	5.0
253.15932	1.2
253.19530	8.9
254.16811	1.6
255.17552	1.1
255.21056	1.3
258.14130	1.1
259.16968	2.6
260.15631	1.2
261.16440	2.8
262.17175	1.1
263.17941	3.2
265.19550	2.7
267.17575	3.5
267.21127	4.4
269.18979	1.2
275.17874	2.1
276.18564	1.6
277.19604	2.0
279.17612	1.2
279.21027	1.7
281.19055	4.3
289.19321	2.4
291.21185	1.4
293.19162	1.8
293.22714	2.7
295.20544	5.2
299.20248	1.6
305.22662	1.1
307.20575	13.2
307.23892	1.7
311.19876	1.1
313.21805	3.8
317.22751	2.0
319.24249	4.5
321.18277	1.3
325.21628	11.5
327.23206	2.8
335.23608	1.9
343.24127	1.3
347.23740	2.2
351.23199	1.9
357.26535	1.1
361.18008	1.4
379.26382	3.3
385.29160	3.3
391.30032	7.3
403.19174	2.4
403.29913	12.6
413.28360	2.4
419.29437	5.9
421.20532	5.0
421.31027	34.6
425.27142	1.5
431.29465	8.1
445.31110	3.2
449.30554	12.9
451.32062	11.0
463.32065	21.6
481.22018	5.3
481.33160	100.0
482.33209	2.7
493.11505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01874	1.0
55.05520	4.1
57.07051	0.9
59.04990	1.5
63.10070	0.6
65.03932	2.2
67.05506	10.6
69.03427	6.2
69.07070	4.4
71.03223	1.1
71.03576	0.7
71.05004	1.5
79.05495	26.0
81.03432	1.4
81.07057	90.0
83.04990	2.1
83.08620	1.9
85.06541	7.2
89.94571	0.7
91.05483	16.3
93.03408	1.3
93.07046	17.5
95.04972	4.2
95.08611	11.6
97.06538	3.0
97.10201	1.3
99.08082	4.1
103.05475	0.6
105.07026	18.1
107.04942	1.5
107.08598	19.7
109.06518	44.3
109.10152	11.1
111.08076	3.1
115.05485	1.6
117.07007	4.7
119.08582	29.1
121.06494	2.0
121.10130	10.5
123.08075	10.8
123.11711	3.7
125.09609	3.2
128.06262	2.0
129.07014	5.9
130.07805	1.4
131.08563	12.0
132.71175	0.6
133.06552	0.8
133.10135	14.5
135.04442	2.2
135.08055	11.4
135.11705	3.0
137.09633	6.3
139.11174	1.2
141.07005	1.9
142.07782	5.1
142.44246	0.7
143.08553	12.4
144.09351	1.8
145.06494	0.7
145.10117	14.8
147.08070	4.3
147.11684	10.5
147.42624	0.6
149.09619	20.5
149.13326	1.4
149.80415	0.6
151.07529	1.2
151.11192	3.9
152.50888	0.6
153.07030	0.7
153.09116	0.7
155.08534	4.9
156.09358	2.4
157.10129	23.9
158.10895	1.1
159.08076	1.5
159.11690	25.3
161.09656	5.3
161.13243	6.3
163.11201	4.6
165.07097	1.2
165.12794	1.5
167.08517	1.4
168.09413	1.8
169.10161	7.7
170.10913	5.3
171.08167	1.0
171.11690	18.4
172.12442	1.1
173.09624	3.6
173.13264	8.6
175.11182	6.3
175.14813	1.3
177.09213	1.0
177.12804	2.4
179.08534	1.8
179.10681	1.4
179.14282	1.0
181.10135	3.5
182.10896	2.0
183.11693	11.4
184.12469	1.7
185.09703	1.1
185.13254	20.5
185.14857	1.2
187.11189	2.3
187.14806	10.2
189.12750	5.3
189.16382	1.0
191.14322	2.7
193.10164	2.8
193.12277	6.1
194.10910	1.7
195.11740	4.0
196.12540	1.5
197.09782	0.9
197.13293	7.5
198.13997	0.8
199.11195	4.6
199.14816	4.0
201.12737	16.0
201.16374	5.4
203.14308	13.0
203.17986	0.7
207.11716	2.9
209.13315	4.5
210.14055	1.2
211.11301	0.8
211.14825	8.1
212.15578	1.6
213.12828	3.3
213.16414	1.9
214.13408	0.9
215.14339	5.4
217.12164	0.8
217.15909	2.0
217.19432	0.9
219.13815	3.2
221.13199	3.4
223.14870	2.6
224.15720	0.8
225.12839	3.6
225.16379	7.1
226.17136	4.6
227.14294	3.5
227.17938	77.3
229.15891	6.2
231.13890	1.1
231.17366	0.9
233.13281	0.9
235.14944	1.0
237.16357	1.0
239.14328	1.6
239.18152	0.9
241.15948	2.6
241.19496	1.5
243.13892	2.2
243.17426	9.2
244.18283	3.6
245.15329	2.1
245.19003	22.9
247.14885	1.2
249.16409	0.9
251.14247	0.9
251.17986	3.1
253.15895	1.2
254.16660	0.9
255.17494	1.1
257.15524	0.8
259.17023	1.3
263.18066	1.5
265.15805	1.7
267.17480	2.3
269.18994	18.2
271.17303	0.9
275.17889	0.9
279.17368	1.0
285.18466	1.9
286.19168	0.8
287.20059	49.8
288.20822	1.6
291.17502	1.8
291.21091	1.9
293.19043	1.3
307.20654	3.1
309.22107	5.3
325.21701	2.1
333.22128	2.0
335.23642	11.4
349.25302	1.6
351.23172	12.9
353.24704	8.8
359.23621	2.9
373.23706	1.6
377.24747	11.9
395.25812	21.5
451.28561	0.9
463.28293	3.7
481.29480	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45494	0.5
55.01844	0.9
56.04984	2.9
56.05265	1.2
60.05603	1.2
61.02898	0.6
65.38956	0.5
69.03398	0.7
70.06552	1.3
71.55230	0.9
83.06061	1.3
84.04463	0.6
85.02834	1.9
95.06021	1.6
97.02807	0.6
97.21700	0.5
109.02844	0.6
111.05572	4.4
113.07146	2.7
120.04426	1.4
125.74685	0.6
126.06574	2.0
127.03857	1.1
127.07375	1.0
132.04468	7.8
132.08044	0.8
134.05983	3.0
136.07545	0.6
137.04640	0.6
137.05888	1.3
140.08115	1.5
142.14304	0.6
144.55698	0.7
146.26918	0.6
147.04422	0.7
148.03842	1.2
150.05496	3.2
151.06157	4.0
157.08530	0.7
163.03851	0.6
165.06567	0.8
176.07082	1.1
177.05424	0.9
187.08759	3.2
189.06581	0.9
196.67403	0.5
199.81078	0.6
201.10368	0.7
202.09799	3.3
203.08133	1.5
213.10155	0.6
216.11145	0.7
229.09689	0.8
230.09177	3.0
231.05379	0.8
231.07655	17.3
232.10747	0.9
233.09192	1.2
233.14008	5.8
234.12508	0.9
242.09216	1.7
243.11314	0.6
246.08682	0.8
257.10391	2.6
259.11920	20.7
260.10300	1.5
265.11951	1.1
267.97415	0.5
277.12964	78.2
284.11386	6.8
289.11765	2.2
291.13715	0.7
301.14099	1.6
302.12494	40.9
313.11798	0.6
315.13382	1.3
316.11569	0.6
317.11349	6.3
319.15158	100.0
320.15604	0.6
335.12598	0.9
373.14023	2.2
395.62872	0.6
415.15112	0.7
427.14905	1.3
445.16159	1.7
463.17166	3.7
481.20450	63.4
482.20285	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.098
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.03943	0.4
55.01874	0.6
56.02070	0.1
57.03437	0.8
59.04994	0.1
60.05666	0.1
61.02647	0.2
61.02931	2.6
64.15140	0.1
65.03945	0.2
65.39997	0.1
67.01873	0.1
67.05492	0.3
68.99798	1.0
69.03431	3.4
69.07068	0.2
70.06596	1.5
71.05005	0.7
71.54998	0.1
71.55407	0.2
72.08151	0.1
73.02923	0.8
73.03283	0.1
79.05482	0.4
81.03417	1.7
81.07045	0.4
83.01316	0.2
83.04978	0.2
84.08116	0.2
85.02909	11.0
85.06525	0.3
87.04462	0.4
91.03960	1.3
91.05480	0.4
93.07033	0.2
94.04185	0.1
95.04967	0.1
95.08615	0.3
97.02895	4.1
97.06531	0.1
99.04473	0.6
103.05474	0.2
105.07056	0.2
107.04996	0.2
107.08562	0.3
109.02144	0.1
109.02883	2.0
109.10139	0.2
111.00816	2.4
111.04432	0.4
115.03939	0.1
115.05479	0.1
117.05489	0.2
119.08572	0.2
121.02850	0.1
121.06490	0.3
121.10133	0.2
122.03664	0.3
122.06028	0.3
123.04417	0.2
125.02361	0.2
126.03122	0.2
127.03919	2.5
127.59596	0.1
131.04866	0.3
131.08578	0.2
133.02806	0.1
133.10078	0.2
135.11697	0.1
137.02347	1.9
137.05978	3.1
139.03918	0.2
141.05502	0.2
145.04965	1.8
147.04404	0.3
151.03905	0.1
151.07562	0.2
153.01831	10.0
153.05460	0.3
157.09669	0.2
161.02283	0.2
161.05981	0.4
163.03990	0.2
165.01833	3.5
166.02623	0.5
167.07059	0.7
171.04414	0.2
173.06000	0.1
173.13342	0.1
175.03932	0.2
177.05424	0.4
179.03404	1.4
179.04860	0.3
183.02898	1.0
185.09387	0.1
189.05490	0.8
193.01335	0.3
193.12222	0.2
194.07323	0.1
195.02974	0.6
199.03922	0.4
201.10019	0.1
203.03340	0.7
205.05154	0.1
207.02896	0.4
209.04408	0.3
215.14313	0.2
217.04970	3.6
219.02859	0.3
221.04504	0.3
225.09212	0.1
227.03389	0.5
229.04968	0.3
231.02887	0.3
232.03749	0.2
235.02379	0.3
235.05984	0.3
244.03621	0.2
245.04475	5.0
255.02863	0.6
263.05637	0.6
265.08612	0.3
265.18057	0.3
272.03052	0.2
273.03937	4.4
283.02505	0.2
283.19101	0.3
285.11310	0.3
290.04245	1.3
291.05078	0.2
297.11206	0.4
301.03391	1.4
301.16574	0.2
315.12433	0.4
319.04486	100.0
320.04730	0.8
329.02924	0.2
331.04523	0.5
343.04462	0.3
361.05563	0.6
385.05591	0.3
437.69104	0.2
463.17236	0.2
481.09512	0.2
481.20593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
54.72904	0.3
55.01873	0.8
57.03434	1.1
61.02933	1.9
61.67229	0.4
67.05497	1.2
68.99776	1.0
69.03084	0.4
69.03431	4.7
69.07069	0.7
70.06583	1.4
71.04992	2.1
71.55590	0.4
71.55945	0.4
73.02921	0.7
79.05503	0.9
79.21801	0.3
81.03428	2.7
81.07040	1.4
83.04974	0.9
85.02908	10.7
85.06557	0.5
86.09682	0.4
87.04445	0.6
91.03979	0.4
91.05479	1.4
93.07034	1.2
95.04964	0.7
95.08620	1.0
97.02907	4.1
97.06496	0.5
98.20872	0.4
99.04470	0.9
105.07031	1.1
107.08598	1.3
109.02906	2.4
109.10109	0.4
111.00814	2.1
119.08587	0.6
121.06555	0.6
121.10150	1.1
122.05959	0.4
123.04429	0.5
123.08076	0.7
125.06002	0.5
125.09612	0.7
126.03281	0.4
127.03947	2.5
131.08606	0.6
133.10150	0.8
135.11652	0.5
137.02365	1.9
137.05006	0.6
137.05980	6.5
137.09665	0.4
142.47560	0.4
145.04961	2.3
145.10149	0.5
151.03880	0.5
153.01839	10.2
163.03911	0.4
165.01857	3.5
166.02568	0.5
167.07095	1.1
177.05557	0.5
177.09151	0.3
179.03374	1.8
179.04753	0.3
183.02925	1.0
187.07516	0.4
189.05482	0.9
191.14394	0.5
195.02827	0.7
199.03996	0.4
199.07332	0.4
203.03363	0.7
215.14326	0.5
217.05025	2.9
227.03354	0.6
232.03963	0.4
244.09538	0.7
245.04488	4.8
255.02734	0.6
263.05441	1.0
265.08524	0.4
265.18027	0.8
273.03918	4.6
283.19009	1.5
285.11130	0.4
290.04245	0.9
291.40765	0.4
297.11292	0.6
301.03500	1.4
301.20123	0.6
315.12381	0.9
319.04498	100.0
320.04813	0.7
381.16742	0.5
445.16077	0.6
495.65549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.0
54.15576	2.0
55.01867	8.9
55.05516	9.6
57.03436	6.7
61.02926	7.9
67.05511	14.3
67.77417	2.4
68.99788	3.6
69.03431	35.5
69.07082	11.4
71.05004	8.2
71.56583	3.4
73.02914	3.9
79.05504	15.1
81.03421	31.5
81.07059	33.7
82.07402	2.5
83.04993	4.5
83.08639	5.6
84.50758	2.1
85.02909	83.1
85.06557	4.3
87.00838	37.0
91.05468	10.3
93.07058	12.2
94.07362	3.9
95.04984	2.9
95.08612	38.0
97.02887	29.3
97.06533	7.3
97.10158	7.0
98.06024	2.2
99.04462	16.0
99.08109	8.6
105.01879	40.7
105.07030	13.8
107.04961	4.3
107.08624	10.8
109.02881	34.1
109.06524	3.5
109.10145	8.1
111.08119	3.8
113.09676	2.2
115.03959	2.1
117.01884	2.8
117.07034	2.1
119.08593	16.4
121.06539	2.6
121.10149	12.8
121.38544	2.0
123.08095	3.2
125.09679	2.4
127.03925	54.5
127.04807	3.8
127.07563	2.1
129.01793	2.8
131.08604	3.1
133.10136	14.8
135.08025	3.7
135.11714	8.8
137.06007	3.6
137.09584	4.7
137.13301	11.6
139.17122	2.4
143.08598	4.1
145.04961	24.2
145.10106	3.4
147.02913	3.0
151.07574	6.5
159.02924	15.8
159.08093	2.4
161.13266	51.4
179.14323	100.0
197.15388	68.7
203.14345	2.2
215.12743	2.5
215.16400	18.1
231.05040	13.8
249.06100	2.5
305.17487	9.7
323.18723	4.2
388.24878	2.9
409.18527	15.1
427.19809	4.7
462.28458	4.3
480.29971	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	479.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
64.46479	0.4
67.05502	0.5
69.66225	1.0
69.66647	1.5
77.25708	0.4
81.07063	0.9
89.06028	0.6
91.74065	0.4
95.08600	0.8
96.52704	0.4
123.04182	0.6
141.05521	0.7
152.95503	0.4
157.12474	0.4
219.56732	0.4
251.47528	0.5
396.98981	0.4
407.29095	3.9
461.36298	0.4
479.34991	100.0
480.35181	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01870	2.5
55.05518	4.5
57.03434	4.0
61.02934	2.0
62.06103	0.9
67.05508	6.6
68.05038	1.1
68.58959	1.1
69.03429	3.1
69.07074	4.3
71.04994	2.5
71.56177	1.7
73.02918	1.9
79.05499	10.5
81.03422	3.8
81.07056	9.9
83.04988	4.3
83.08629	4.0
85.02895	5.7
85.06564	1.1
86.06065	2.9
91.03973	1.1
91.05499	5.2
93.07047	16.5
95.04951	4.3
95.08609	19.2
97.02895	4.9
97.06510	1.4
99.04501	2.3
105.07024	5.9
107.04951	3.7
107.08608	12.9
109.02853	1.1
109.06512	2.2
109.10151	5.5
111.08084	2.2
113.09662	5.4
117.07018	3.6
119.08585	6.5
120.95689	1.0
121.06532	3.2
121.10150	8.6
123.08079	3.3
123.11773	1.4
125.05993	2.8
127.03923	2.7
129.06938	0.9
131.08595	1.3
133.10141	7.6
135.08067	1.7
135.11697	24.6
137.05997	2.3
137.09613	2.4
139.07553	3.7
145.10124	15.6
147.11694	2.6
149.13248	2.4
151.11183	1.1
153.01843	1.4
157.08629	3.3
161.09595	2.3
163.11191	35.0
163.12558	2.2
179.10699	3.0
181.12297	5.2
197.11766	2.7
197.15376	1.2
203.18001	1.4
209.11827	1.9
223.17000	1.3
227.10544	2.2
227.12793	45.1
247.05876	1.0
258.59976	1.2
265.17957	1.9
283.15421	100.0
301.16739	1.0
301.20044	1.9
302.04224	1.0
303.04755	1.5
317.06662	6.5
318.06903	15.2
323.15079	1.9
341.15991	3.9
359.17163	1.5
434.95721	1.0
445.20779	1.7
462.27075	1.3
480.29285	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
53.83815	1.0
55.01866	1.9
55.05510	7.1
57.03441	2.3
57.07071	4.1
60.35062	1.0
61.02920	2.9
67.05508	6.2
69.03431	12.6
69.07073	7.3
69.41882	8.6
71.04994	1.5
76.59710	0.9
79.05478	5.1
79.39029	1.0
79.99713	1.0
81.03419	11.6
81.07057	15.4
83.04963	1.6
83.08617	8.1
85.02908	35.2
85.06552	6.0
87.00831	13.0
91.03989	1.0
91.05469	3.4
93.07043	16.5
95.04931	1.3
95.08607	31.6
97.02886	7.9
97.10190	6.6
98.21571	1.7
99.04450	3.9
99.08098	4.4
103.60343	1.1
105.01865	20.8
105.07021	3.0
107.08597	21.0
109.02890	6.5
109.10157	12.0
111.08086	2.7
111.11722	1.9
113.09644	1.7
119.08546	1.8
121.02878	1.9
121.10146	29.9
123.11723	5.8
123.49397	1.2
124.98286	1.1
125.09596	1.4
127.03912	17.9
131.08607	1.2
135.11703	9.9
137.13246	5.7
139.03876	1.1
139.11177	3.0
145.04965	5.5
149.13251	2.6
151.14844	2.7
153.01823	7.3
165.16388	1.3
175.14775	1.3
177.16391	74.7
183.17506	1.2
193.12238	4.6
195.17448	43.0
213.04070	2.0
213.16496	1.2
213.18501	18.6
218.64137	1.1
228.04248	2.1
229.04977	3.5
231.05002	6.9
231.19606	2.8
246.05299	1.6
249.06110	3.6
257.04550	2.0
267.15945	2.3
273.03964	2.3
274.04657	4.7
285.03961	3.4
285.16858	1.8
302.04175	11.4
317.06558	100.0
378.63885	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01867	1.5
55.05511	3.2
56.64371	0.4
57.03426	1.6
57.07059	1.7
58.18971	0.5
59.04998	0.5
60.03193	0.4
61.02933	2.3
67.05515	2.8
69.03431	7.9
69.07069	4.9
71.04978	1.3
71.07186	0.9
73.02915	0.9
79.05495	3.4
81.03416	6.5
81.07059	10.0
83.05002	0.5
83.08620	3.7
85.02909	20.2
85.06548	2.6
85.83269	0.5
86.09713	0.6
87.00313	0.5
87.00836	7.7
87.04469	0.5
91.03973	0.4
91.05458	1.0
92.02615	0.7
93.03417	0.7
93.07048	6.7
95.04971	1.5
95.08611	16.4
97.02898	6.2
97.06508	0.5
97.10179	4.0
99.04434	1.2
99.08117	2.6
105.01195	0.6
105.01875	10.3
105.07023	1.2
107.08601	12.4
109.02872	4.4
109.06519	0.4
109.10156	6.5
111.08104	1.4
111.11717	0.6
119.08565	1.0
121.02896	0.9
121.10150	16.7
121.11035	0.8
123.11725	2.2
125.09620	0.8
127.03918	10.6
133.10135	0.8
135.11700	5.0
137.13234	2.4
139.03906	0.9
139.11165	1.9
145.04950	4.3
145.06448	0.6
147.02957	0.5
149.13263	1.7
151.03871	1.2
151.14879	0.9
153.01839	7.4
153.12746	0.5
157.10072	0.9
165.16408	0.9
177.16399	39.7
178.16771	0.4
183.17445	1.3
193.12250	2.6
195.17451	19.8
201.05493	1.1
212.47185	0.4
213.03934	0.6
213.18510	8.8
217.04939	0.9
218.05840	0.7
219.02875	0.5
228.04166	2.0
229.05034	1.8
231.02893	0.8
231.04942	3.5
231.19536	0.7
245.04388	1.4
246.05190	1.9
249.06096	1.0
257.04510	1.9
267.15924	1.5
273.04019	1.5
274.04770	4.2
285.03833	2.3
285.17093	1.1
302.04239	12.8
317.06570	100.0
318.06903	2.7
359.07584	0.8
407.20670	0.7
425.21750	0.6
448.49231	0.5
459.26947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.4
51.02386	0.4
53.03938	1.3
55.01874	14.2
55.05514	2.2
57.03428	0.3
61.11299	0.3
63.02372	0.4
65.03928	1.3
67.05502	4.7
69.03434	3.4
69.07068	4.2
71.04976	0.3
71.55429	0.3
73.06527	0.3
77.03938	0.4
79.05501	6.6
81.03422	8.8
81.03888	0.3
81.07058	4.7
83.04970	1.4
83.08618	0.7
85.06560	0.7
87.04463	0.8
91.05480	21.9
93.07048	8.1
95.01332	0.6
95.04967	9.1
95.08602	2.7
97.06522	1.0
99.08070	0.5
103.05471	2.7
104.06261	0.3
105.04539	0.5
105.07033	16.4
107.04272	0.5
107.04955	4.6
107.08590	5.6
109.06506	3.5
109.10159	0.8
111.08057	0.5
113.05977	0.6
115.03940	1.5
115.05448	8.9
115.07589	0.8
116.06242	2.9
117.07025	16.6
118.07794	0.3
119.04928	2.2
119.08584	19.9
121.06512	3.3
121.10161	3.3
123.08068	1.0
127.05417	0.4
128.06218	8.9
129.07011	18.9
130.07790	4.2
131.04927	1.4
131.08568	16.9
132.05676	0.7
133.06512	3.8
133.10130	16.0
135.08043	2.6
135.11661	0.5
137.09624	0.5
139.07608	0.4
141.06989	5.7
142.06631	0.6
142.07776	17.4
143.08563	18.0
144.05699	1.9
144.09309	1.2
145.06491	14.7
145.10121	19.6
146.07251	1.9
147.08047	60.7
147.11697	1.8
149.09622	4.6
152.06171	1.5
153.06987	2.5
154.07793	1.9
155.04868	0.7
155.06030	1.0
155.07359	0.6
155.08559	7.8
156.09341	9.8
157.06546	2.5
157.10129	29.0
158.07281	3.9
158.10878	0.4
159.08055	27.4
159.11696	5.1
160.08791	0.5
161.09621	56.7
162.10022	0.5
163.07552	1.3
163.11174	5.1
165.07004	3.5
165.09145	0.6
166.07790	1.9
167.08562	4.1
168.09308	1.8
169.06448	1.9
169.07828	0.4
169.10124	10.1
170.07253	4.1
170.10922	6.7
171.08052	14.9
171.11687	37.0
172.08838	2.0
172.12253	0.5
173.06023	4.6
173.09625	28.2
173.13112	1.9
174.10246	0.3
175.07556	3.9
175.11154	3.0
177.09158	0.8
178.07817	1.2
179.08510	3.2
180.09317	2.3
181.06535	1.1
181.10143	4.6
182.07269	1.2
182.10887	1.8
183.08092	4.6
183.11688	13.3
184.08839	4.5
185.06013	1.1
185.09624	26.2
185.13249	21.2
186.10275	0.7
187.07527	3.3
187.11171	6.5
187.14839	0.4
189.09106	3.2
189.12766	0.5
191.08730	0.5
191.10667	3.1
192.09314	1.4
193.10155	4.0
193.12256	0.8
194.10931	1.8
195.08064	2.6
195.11668	6.4
196.08759	1.7
196.12364	0.4
197.05951	0.6
197.09624	7.9
197.13272	5.6
198.06801	1.8
198.10374	4.1
199.07483	1.8
199.11186	20.9
200.11966	3.4
201.09088	3.3
201.10818	0.4
201.11157	0.4
201.12735	2.9
202.07831	0.6
203.08611	1.1
203.10703	1.3
204.09367	1.0
205.10164	1.4
205.12257	4.1
206.10887	2.0
207.08043	0.8
207.11728	4.6
207.13618	0.5
208.08827	0.9
208.12506	1.2
209.09607	3.3
209.13235	4.0
210.10371	1.0
211.07642	1.6
211.11186	7.0
211.14827	0.3
212.08417	0.5
212.19154	0.4
213.09293	11.2
213.12732	52.7
214.13278	0.7
215.08626	1.0
215.10707	4.2
215.14313	0.9
216.09323	0.9
217.08377	0.5
217.10153	1.6
217.12273	2.0
218.10922	1.4
219.08060	0.9
219.10094	1.4
219.11964	2.5
219.13794	0.5
220.08911	0.8
220.12428	1.9
221.09802	2.1
221.13284	4.1
222.10411	1.3
222.13982	0.7
223.11194	5.6
223.14757	1.7
224.08441	0.4
224.12019	0.5
225.09233	1.5
225.12732	3.1
226.09926	0.6
227.10657	2.3
227.14267	0.5
229.10143	1.1
229.12308	2.5
230.10901	1.8
231.07753	0.6
231.10150	4.0
231.11810	2.1
231.13545	4.5
232.08844	0.5
232.12381	2.0
233.09560	1.5
233.11676	1.6
233.13707	2.4
233.15511	0.6
234.10402	1.1
234.14095	1.3
235.07486	0.3
235.11183	3.2
235.14821	1.9
236.11948	1.1
237.09097	1.0
237.12750	4.4
237.16461	0.8
238.13483	0.5
239.10651	2.7
239.14418	0.9
241.10091	0.8
241.12231	7.7
242.10873	0.9
242.12982	0.3
243.11694	2.1
243.13875	3.8
244.12479	2.4
245.09526	1.2
245.11577	1.2
245.13271	2.1
245.15388	13.0
246.10368	1.9
246.14014	1.3
247.11133	3.1
247.12773	0.2
247.15143	2.0
248.12115	1.4
248.15544	0.7
249.09081	0.7
249.12758	4.0
249.16420	2.3
250.13448	0.6
251.10680	0.7
251.14561	2.6
253.12276	1.0
254.10957	0.7
255.11652	0.9
255.13885	1.7
256.12393	1.5
257.09558	0.6
257.13629	2.2
257.15573	0.8
258.10266	0.6
258.14209	1.6
259.11099	2.4
259.13290	2.5
259.15088	1.6
260.11929	2.4
260.15530	0.5
261.09061	0.7
261.12756	4.4
261.15347	0.3
261.16498	0.5
262.10010	0.3
262.13556	1.2
263.10757	1.2
263.14297	2.8
263.17978	0.9
265.12286	1.4
265.15915	0.9
267.11469	0.6
267.13870	0.9
268.12668	0.6
269.09436	0.6
269.13245	2.5
269.15543	0.5
270.10391	0.6
270.14050	1.0
271.11102	1.3
271.13312	1.0
271.14896	1.0
272.11951	1.7
272.15097	0.6
273.12894	2.2
273.14880	29.9
274.10385	0.5
274.13132	1.9
275.10770	0.8
275.14310	4.8
275.17725	0.6
276.11627	0.7
276.15140	0.8
277.12534	2.3
277.15701	2.8
279.13858	1.3
281.12888	0.3
282.10492	0.6
282.13934	0.4
283.11111	1.2
283.14935	2.0
284.11905	1.3
284.15585	1.4
285.12659	2.0
285.16132	1.1
286.10342	0.3
286.13501	1.8
286.16699	0.5
287.10898	0.7
287.14340	5.3
287.17645	0.8
288.11459	0.8
288.15149	1.4
289.12277	1.8
289.15866	3.5
289.19147	0.5
290.13251	0.5
291.13782	2.2
291.17438	1.3
293.15631	0.4
294.14044	0.4
295.13513	0.4
296.11761	0.4
297.12595	3.0
297.15402	0.5
298.13593	1.9
298.16852	0.6
299.14316	3.2
299.17941	1.7
300.12012	0.4
300.15039	1.7
301.12314	1.1
301.15894	4.3
301.19174	0.5
302.13391	0.6
302.16495	2.0
303.13803	2.4
303.17450	4.0
304.14603	0.6
305.15005	0.7
305.17972	0.7
307.16827	0.7
309.14966	1.0
311.14127	2.7
312.15030	2.7
313.12341	0.6
313.15881	3.0
313.19553	0.8
314.13190	0.4
314.16638	1.0
315.13788	1.5
315.17471	5.6
316.14807	0.5
316.18201	0.9
317.15390	2.4
317.19046	10.2
318.19846	0.6
319.16888	0.8
323.16574	0.6
323.20258	0.4
325.15527	0.4
326.16782	1.4
327.13687	0.4
327.17435	8.0
328.18192	1.2
329.15341	1.4
329.19016	1.8
330.16025	0.8
331.16901	3.1
331.20615	3.2
333.17197	1.8
335.16541	0.8
339.13861	0.4
341.15234	0.2
341.18991	6.0
343.16980	1.0
344.17703	0.7
345.14383	0.7
345.18518	11.3
346.19223	2.1
351.19485	0.8
354.16156	0.5
357.18591	1.7
359.15802	0.7
359.20047	9.4
361.17990	1.5
362.18552	0.4
369.18527	2.1
371.16589	0.3
372.17416	0.4
373.21619	0.4
375.19653	0.7
377.17218	0.7
377.21188	2.3
379.19092	0.4
387.19537	10.2
389.21252	5.1
391.22711	13.7
401.21136	9.3
404.19858	1.4
405.20547	1.9
411.21689	6.8
419.22168	45.1
420.22464	0.5
437.23245	2.9
447.21655	1.6
451.24799	1.5
461.23145	1.3
461.28992	0.4
479.24292	100.0
480.24716	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.03945	1.5
55.01629	0.7
55.01875	12.3
55.05508	2.4
57.03432	0.7
65.03938	1.1
67.05511	4.4
68.60601	0.4
69.03430	3.3
69.06355	0.4
69.06789	0.4
69.07076	4.6
71.55389	0.6
76.76917	0.4
77.03939	0.8
79.05492	8.1
81.03420	8.2
81.07064	4.2
83.04975	1.5
85.06525	1.0
91.05486	21.0
93.07053	8.3
95.01327	0.7
95.04968	7.8
95.08613	3.1
97.06539	0.7
103.05463	2.4
105.04556	0.5
105.07033	18.2
107.04958	5.0
107.08598	5.4
109.06518	3.4
109.10123	1.4
111.08098	0.7
113.06031	0.5
115.03941	1.0
115.05453	7.0
116.06260	2.4
117.07023	15.1
118.61831	0.4
119.04948	1.8
119.08588	21.6
121.06528	3.4
121.10143	2.8
123.08076	1.0
128.06219	8.1
129.07008	18.6
130.07796	4.4
131.04939	1.9
131.08569	15.4
132.05743	1.0
133.06494	3.3
133.10133	16.9
135.08043	2.7
135.11682	1.0
137.09601	1.1
141.06978	5.9
142.07796	14.0
142.08910	0.7
143.08566	18.3
144.05748	1.9
144.09341	1.2
145.05388	0.9
145.06490	13.3
145.10132	20.0
146.07256	1.6
147.08055	55.6
147.11731	1.7
149.09642	3.7
152.06216	1.3
153.06967	2.8
153.25499	0.5
154.07764	2.3
155.06071	1.5
155.08571	7.1
156.09364	9.5
157.06566	2.2
157.10138	28.4
158.07295	3.3
159.08060	26.3
159.11659	4.3
160.08788	0.7
161.09625	51.6
163.07568	1.1
163.11154	5.1
165.07027	3.1
165.09125	0.7
166.07817	2.1
167.08575	4.1
168.09325	2.1
169.06482	1.8
169.07805	0.5
169.10124	9.5
170.04965	0.5
170.07309	3.6
170.10919	5.5
171.08061	15.4
171.11694	34.7
172.08850	1.9
172.12126	0.4
173.06017	4.3
173.09630	27.4
173.13300	1.6
174.10426	0.5
175.07571	2.8
175.11183	3.1
177.09094	1.1
178.07829	1.5
179.08533	2.8
179.10648	0.4
180.09262	1.9
180.72443	0.4
181.06519	1.1
181.10139	4.6
182.07224	0.8
182.10922	0.7
183.08055	5.4
183.11703	12.8
184.08870	4.1
185.06082	1.1
185.09641	23.5
185.13254	20.6
186.10255	0.6
187.07535	3.9
187.11174	6.5
187.14810	0.7
189.09138	2.9
189.12804	0.8
191.08926	0.7
191.10715	3.3
192.09375	1.2
193.10158	3.6
193.12117	1.0
194.10971	1.6
195.08099	2.2
195.11682	6.4
196.08841	0.9
197.06003	0.5
197.09648	6.3
197.13235	5.5
198.06792	1.5
198.10410	5.2
199.07524	2.2
199.11191	20.6
200.11963	2.6
201.09151	4.1
201.12718	2.6
203.08568	1.2
203.10707	1.2
204.09378	0.7
205.08507	0.5
205.10158	1.8
205.12277	3.8
206.10835	2.0
207.08316	0.5
207.11737	4.1
207.13574	0.7
208.08910	0.6
208.12466	1.4
209.09616	3.7
209.11220	0.4
209.11604	0.6
209.13278	4.1
210.10454	1.4
211.07617	0.8
211.11171	7.6
211.14899	0.6
213.09300	10.4
213.12740	49.6
214.13127	0.6
215.08675	1.0
215.10710	4.3
215.14201	0.7
216.09375	1.1
217.10181	1.5
217.12291	1.9
218.10992	1.2
219.08105	0.9
219.09875	0.6
219.11807	2.7
219.13504	0.5
220.08987	0.8
220.12520	2.2
221.09633	1.3
221.13300	4.6
222.10495	1.4
222.14088	0.5
223.11226	6.0
223.14731	2.3
224.12033	0.6
225.09148	1.4
225.12762	2.6
226.09851	0.7
227.10678	2.2
229.10098	1.8
229.12303	1.7
230.10922	1.9
231.09874	4.0
231.11974	1.3
231.13670	4.4
232.08952	0.6
232.12459	1.9
233.09636	1.7
233.11673	1.5
233.13634	2.7
233.15341	0.7
234.10410	1.1
234.14061	1.1
235.11223	3.0
235.14790	2.2
236.11931	0.8
237.09120	0.5
237.12785	4.0
237.16426	0.9
238.13524	0.5
239.10684	2.4
239.14374	0.7
241.10080	1.1
241.12234	5.3
242.10930	0.9
243.11679	2.0
243.13853	4.0
244.12440	2.1
245.09550	1.2
245.11516	1.3
245.13312	1.7
245.15388	11.5
246.10417	2.1
246.14020	1.1
247.11099	3.1
247.14964	2.7
248.11972	1.4
249.12764	3.8
249.16312	2.2
251.10654	0.7
251.14424	1.9
253.12314	1.2
254.10947	0.8
255.11693	1.4
255.13911	1.8
256.12491	1.5
257.09531	0.5
257.13266	1.5
257.15540	0.9
258.10519	0.9
258.14075	1.4
259.11093	1.5
259.13370	2.8
259.15210	1.5
260.11829	2.0
260.15704	1.0
261.12701	3.7
261.16678	0.9
262.13541	1.5
263.10712	1.3
263.14380	2.9
263.18033	0.7
264.15250	0.4
265.12305	1.5
265.15985	1.0
267.11496	0.8
267.13879	1.1
268.12497	0.6
269.09860	0.8
269.13226	2.8
269.15662	0.6
270.10489	0.5
270.14145	1.1
271.10944	0.8
271.13358	1.4
271.14990	1.4
272.11954	1.5
272.15710	0.5
273.14899	28.1
274.13470	1.2
275.10721	1.2
275.14322	4.8
277.12253	1.5
277.15939	2.5
279.14017	0.8
281.15372	0.6
282.10583	0.9
282.14139	1.0
283.11163	1.7
283.14761	1.7
284.11862	0.9
284.15469	1.2
285.12579	2.5
286.13651	2.2
287.11136	0.8
287.14368	4.3
287.17697	0.9
288.11813	0.8
288.15140	2.2
289.12277	1.7
289.15906	3.3
289.19171	0.8
289.66653	0.5
291.13800	1.9
291.17468	1.2
293.15540	0.7
296.12006	0.8
297.12735	2.7
297.15872	0.8
298.13599	1.8
298.16953	0.7
299.14331	2.8
299.17929	1.3
300.15164	1.7
301.12546	0.6
301.15787	4.3
302.13260	0.8
302.16718	2.0
303.13828	2.5
303.17477	3.9
304.14532	0.6
305.15054	0.6
309.15146	0.7
311.13922	2.2
312.15005	2.5
313.15903	2.2
313.19241	0.6
314.16803	0.8
315.13770	1.1
315.17480	4.8
316.14703	0.5
316.18222	1.1
317.15393	2.0
317.19083	9.4
317.22467	0.8
323.16718	0.6
326.16531	2.1
327.13907	0.9
327.17480	7.1
328.18027	0.9
329.15448	1.5
329.19113	1.6
330.16196	0.7
331.16891	2.4
331.20667	4.1
333.17218	1.5
335.16299	1.1
341.18982	5.7
343.16901	0.8
344.17853	0.7
345.18564	9.4
346.19199	1.4
351.19873	0.8
354.16122	1.1
357.18497	1.4
359.20026	8.5
361.18121	1.2
363.19693	0.7
369.18323	3.0
377.17123	0.8
377.21274	2.4
387.14700	0.3
387.19571	8.3
387.24356	0.6
389.21170	5.7
391.22726	14.2
401.21130	8.9
404.19791	1.0
405.20636	1.8
411.21588	6.2
419.22189	43.4
420.22446	0.8
437.23441	2.2
447.21878	1.3
451.25027	1.8
461.23111	1.1
461.28928	0.8
479.24326	100.0
480.24713	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3937
Annotation	Hopane-6Beta,11Alpha,22,27-Tetraol
Peak:m/z	Relative Intensity
54.47870	0.8
54.58385	0.8
55.05519	5.4
57.03416	0.9
57.07060	2.2
59.21224	0.9
62.27254	0.8
67.05507	5.9
69.03411	1.3
69.07069	7.4
71.04991	16.3
71.56635	1.3
73.06549	2.1
78.42626	1.1
79.05479	5.4
81.07062	10.4
83.04981	1.9
83.08631	6.5
85.06550	7.9
88.39991	0.8
91.05474	3.4
93.07035	8.8
95.08602	15.1
97.06510	1.5
97.10178	7.5
99.08104	1.6
105.07033	10.2
107.04980	0.9
107.08596	27.6
109.10152	16.0
115.07568	0.9
117.06995	1.6
119.08584	13.1
121.10141	12.1
123.11710	6.5
125.08766	1.8
125.09628	28.4
127.11198	12.4
131.08578	3.0
133.10126	12.3
135.11687	12.6
137.13200	1.0
143.10672	100.0
144.11050	0.9
145.10168	7.0
147.11708	14.6
149.13277	5.1
157.10094	1.6
159.11688	8.5
161.13246	4.7
163.14818	3.1
167.41489	1.0
171.11830	1.5
173.13249	5.2
175.14792	4.8
177.16415	1.3
185.13286	2.6
187.14836	4.2
189.16380	10.6
191.17976	10.1
199.14790	1.9
201.16379	4.9
203.17958	3.7
207.17453	8.4
213.16295	1.8
215.17998	6.4
217.19505	3.7
229.19572	1.3
230.89148	1.1
231.17325	1.0
233.19005	4.3
241.19656	1.0
251.20229	1.0
255.21115	1.4
261.21985	1.2
287.23572	1.5
289.25076	1.6
301.25345	1.1
405.35208	2.4
423.36209	22.9
441.37299	27.7
459.28201	1.2
459.38361	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	478.2931
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
50.77766	0.3
53.03931	0.3
55.01844	0.7
55.05516	5.0
57.07071	0.5
62.06075	1.4
65.03954	0.4
67.05509	6.0
69.06725	0.4
69.07073	6.4
70.06582	0.4
71.08614	0.4
79.05486	2.0
81.03427	0.4
81.07058	8.8
83.08616	2.3
85.05285	1.5
86.06068	0.6
91.05473	1.2
93.07040	1.8
95.04996	0.4
95.08601	5.8
97.10167	0.8
98.05416	0.5
98.06054	7.8
98.07536	0.3
98.98446	0.4
105.07019	1.5
107.08595	1.1
109.10161	1.8
110.09702	0.6
111.91515	0.4
112.07587	1.2
114.01897	0.6
119.08591	1.8
121.10133	1.5
123.11716	1.1
131.08492	0.5
133.10129	1.1
135.11708	0.4
137.13220	0.4
140.10660	0.4
145.10144	0.8
146.06334	0.4
147.11667	1.5
149.02327	1.1
154.12262	0.7
159.11649	0.8
161.13281	0.8
188.05592	0.5
189.29742	0.3
193.04918	0.7
196.17020	0.5
208.16881	0.5
215.17955	0.3
222.18620	0.5
236.20102	0.5
271.24210	0.7
283.45740	0.4
306.27908	100.0
307.28317	0.9
310.23682	0.4
312.32495	0.4
324.28922	1.1
335.25812	1.0
337.27524	0.5
446.22729	0.3
446.28983	7.1
478.30969	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1187
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03960	0.4
55.01868	0.6
57.03424	0.9
61.02932	1.3
67.05499	0.4
69.03433	3.1
69.07059	0.5
70.79659	0.3
70.79981	0.5
71.04999	0.5
71.18690	0.3
73.02916	0.4
73.81164	0.3
76.91475	0.2
79.05485	0.4
81.03413	2.7
81.07056	1.0
83.01352	0.3
85.02905	8.6
85.06542	0.4
87.00839	0.4
87.04476	0.4
91.03947	0.5
91.05487	0.4
92.02631	0.9
93.03395	1.1
93.07037	0.8
95.08601	1.3
97.02888	3.3
99.04432	0.4
100.37207	0.3
105.01880	0.6
107.08601	0.7
109.02871	1.2
109.10172	0.7
119.08541	0.4
121.02863	0.9
121.10153	0.9
126.03147	0.4
127.03932	2.0
135.11729	0.4
137.13254	0.4
145.04956	1.6
151.03902	0.8
153.00565	0.5
153.01823	7.9
163.03926	0.4
165.01875	0.6
167.78368	0.3
177.05508	0.4
177.16434	1.7
193.12259	0.7
195.17447	0.9
201.05441	0.7
202.22403	0.3
203.03377	0.4
213.18504	0.4
217.04979	0.7
218.05730	0.6
228.04170	1.7
229.04921	2.6
231.02895	0.5
245.04404	1.5
246.05226	1.8
256.03665	0.3
257.04514	2.0
260.03210	0.4
267.15921	0.4
271.05954	0.5
273.03983	1.6
274.04745	4.2
284.03165	0.6
285.03973	3.1
285.16916	0.6
302.00745	0.6
302.04208	13.1
317.06564	100.0
318.06934	0.7
405.99420	0.3
420.52795	0.3
458.26044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1189
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03934	0.4
53.24892	0.1
55.01862	0.4
55.05506	0.2
57.03452	0.6
57.07070	0.2
59.05005	0.1
59.60981	0.1
60.62919	0.1
61.02930	2.3
61.05347	0.1
65.03946	0.2
67.05502	0.1
67.46450	0.1
68.99800	0.2
69.03429	2.3
69.07066	0.1
70.99240	0.3
71.04991	0.4
73.02917	0.5
79.05524	0.1
81.03418	1.6
81.07053	0.4
83.01303	0.1
83.04984	0.2
84.27257	0.1
85.02910	7.5
86.09711	0.3
87.04453	0.2
91.03955	1.0
91.05473	0.2
92.02609	0.9
93.03420	1.0
93.07027	0.2
95.04951	0.2
95.08611	0.3
97.02293	0.1
97.02903	2.7
99.04466	0.4
103.03940	0.2
105.07049	0.2
107.08609	0.3
109.02885	0.8
111.00811	0.4
111.74281	0.1
119.08572	0.2
120.08086	0.2
121.02876	1.2
121.10171	0.3
123.04377	0.2
123.08029	0.1
126.03139	0.4
127.03922	1.5
128.10713	0.1
135.11681	0.1
137.02388	0.2
139.03941	0.6
145.04961	1.1
151.03920	1.0
153.01831	7.2
157.10257	0.1
163.03979	0.3
165.01866	0.7
166.02638	0.2
173.05943	0.1
175.11226	0.1
177.05443	0.3
177.16354	0.2
179.59631	0.1
183.02980	0.2
190.06247	0.2
193.12263	0.2
200.04678	0.2
201.05553	0.7
203.03362	0.4
217.04955	0.7
218.05750	0.7
219.02942	0.2
228.04172	1.3
229.04956	2.6
231.02943	0.4
239.03258	0.1
243.06529	0.2
245.04463	1.5
246.05257	2.0
256.03622	0.4
256.75684	0.1
257.04468	1.9
260.03085	0.3
261.07657	0.4
267.15817	0.2
271.06082	0.3
273.03958	1.9
274.04733	4.2
284.03235	0.5
285.03955	3.2
286.04611	0.1
288.06195	0.2
299.05679	0.1
301.03494	0.2
302.04227	12.9
317.06567	100.0
318.06952	1.0
329.06680	0.4
359.07712	0.4
370.01935	0.1
383.07849	0.2
406.32639	0.1
443.10315	0.2
461.10446	0.2
466.63995	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	477.3941
Annotation	Hopane-6Beta,11Alpha,22,27-Tetraol
Peak:m/z	Relative Intensity
55.01865	8.5
55.05522	41.5
57.07082	34.2
67.05515	41.0
69.07077	63.2
69.75745	7.2
71.08611	26.4
78.58204	7.1
79.05487	20.8
81.07058	95.9
83.08612	35.4
85.10177	22.7
88.24200	7.7
89.32062	6.2
91.05470	27.5
93.07064	46.3
95.04977	6.7
95.08613	79.8
97.10151	30.5
103.03979	8.2
105.07045	61.2
107.08588	59.8
107.87936	6.3
109.10172	37.3
111.08146	6.5
111.11691	18.8
113.63582	6.2
113.80546	7.1
119.08590	52.2
121.10156	45.0
123.11709	26.7
130.84833	7.4
131.08604	35.2
133.10126	37.5
135.11697	24.3
137.13263	11.6
143.08556	11.1
145.10115	55.4
147.11717	36.3
149.13272	15.1
151.07552	9.1
151.14815	9.2
151.19557	7.1
157.08694	7.4
157.10121	12.2
159.11697	37.2
161.13319	19.6
163.14839	8.4
171.11702	14.6
173.13260	19.9
175.14862	7.7
179.10631	7.3
185.13280	11.6
187.14655	10.8
189.16402	7.9
191.10672	8.4
193.12338	7.0
203.17970	9.4
205.12241	26.4
221.15291	9.4
227.17963	11.7
233.15253	8.3
233.22676	7.4
259.16949	9.9
301.21609	7.7
343.33728	33.3
347.32922	17.2
367.33661	21.6
372.17142	7.4
409.34799	12.5
427.35583	16.1
439.13895	6.7
441.37350	100.0
445.36786	32.7
459.38260	50.0
477.22650	8.7
477.39621	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	477.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	9.4
55.05512	56.1
56.96454	1.4
57.03429	8.4
58.47978	1.6
59.04999	1.6
60.41121	1.4
65.03923	2.2
67.05504	46.8
69.03429	9.9
69.07063	9.9
69.35137	7.9
69.35561	5.5
71.04996	3.6
71.37281	1.4
74.65970	1.4
79.05493	51.2
81.03417	11.8
81.07055	36.9
83.04978	8.1
83.08613	25.3
85.06553	3.8
91.05482	24.7
93.07047	26.0
95.04981	17.9
95.08604	15.8
97.06540	6.3
97.10171	51.4
98.38727	1.6
101.09645	1.7
105.07030	20.5
107.04959	29.9
107.08592	24.6
109.06528	10.3
109.10156	11.4
111.08072	3.1
115.05464	3.7
117.07015	13.9
119.04970	1.7
119.08578	13.7
121.06509	25.0
121.10138	4.5
123.04440	3.3
123.08069	8.8
123.11694	2.5
125.09628	41.1
127.20589	1.5
128.06206	3.3
129.06998	13.0
131.04924	5.4
131.08556	14.2
133.06480	8.6
133.10144	6.1
135.04416	1.6
135.08063	13.8
135.11665	2.8
137.09636	2.8
139.07515	2.0
141.06996	3.6
142.07811	2.0
143.08545	9.0
145.06468	18.2
145.10115	10.3
147.04413	6.0
147.08095	12.0
147.11691	6.9
149.06055	2.2
149.09587	3.9
153.09090	10.1
153.12767	5.9
155.08548	7.1
157.06505	3.8
157.10114	7.2
159.08072	5.9
159.11716	4.7
161.05980	4.3
161.09653	2.9
163.11189	3.9
167.08594	2.8
169.06401	1.7
169.10094	4.8
171.08087	6.3
171.10176	4.6
171.11710	6.1
173.09651	5.6
175.07521	2.5
175.11212	5.6
177.12743	1.9
181.10217	1.8
183.11726	2.8
185.09593	2.9
185.13257	2.9
187.11195	4.8
187.14822	3.9
189.11220	17.4
189.12779	5.3
193.10672	1.5
193.12257	11.8
195.11710	4.4
197.13257	3.5
199.11198	6.5
201.12862	1.9
203.14442	2.2
205.12187	3.8
211.11324	2.3
211.13271	2.6
213.12776	3.5
215.14343	6.5
217.12256	3.7
223.13254	3.8
223.92429	1.9
225.12778	3.5
227.12787	6.1
231.13828	3.5
233.15324	13.5
235.13251	3.3
237.12775	4.1
241.12280	1.9
241.14438	4.8
243.13925	2.5
249.14937	3.2
251.14429	1.7
255.13792	5.7
259.13257	2.7
267.16003	3.8
271.16870	2.6
273.14825	18.2
275.16443	2.6
289.18115	1.8
291.16092	4.5
321.22183	2.6
333.43979	1.6
339.23050	7.5
349.21628	19.4
357.24338	10.3
367.22672	60.9
385.23743	100.0
387.10309	1.7
403.24768	28.8
405.24167	2.7
423.25284	2.0
441.26266	10.4
459.27405	87.2
472.32367	1.8
477.28494	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25089	1.5
55.01878	9.4
55.05515	52.5
57.03443	8.2
59.04990	2.7
67.05510	41.2
69.03429	7.6
69.07075	13.0
69.16578	1.4
70.99695	2.4
71.04983	2.5
79.05499	50.4
81.03420	15.9
81.07064	41.0
83.04984	8.2
83.08626	25.2
85.06534	3.3
91.05490	26.2
93.07060	27.0
95.04978	16.3
95.08614	17.4
97.06543	6.2
97.10178	49.0
101.51728	1.6
102.94462	1.4
105.07028	21.1
107.04964	32.4
107.08604	30.4
109.06538	10.4
109.10175	11.2
111.04439	3.1
111.08084	6.0
115.05453	4.1
117.07023	16.9
119.04953	2.5
119.08596	14.9
121.06525	26.9
121.10160	8.2
123.04436	2.7
123.08060	8.2
125.06025	2.0
125.09637	38.2
128.06221	2.1
129.07039	11.1
129.63049	1.4
131.04916	5.2
131.08565	15.4
133.06519	9.5
133.10152	6.7
135.08061	15.3
135.11722	3.5
137.09607	2.7
141.07033	3.0
143.08537	7.2
143.83377	1.6
145.06493	19.8
145.10155	9.9
147.04413	2.6
147.08052	9.6
147.11726	5.8
149.06166	1.6
149.09607	5.8
153.09117	10.7
153.12793	2.9
155.08597	6.6
157.06529	5.0
157.10091	8.5
159.08083	5.5
159.11702	4.1
161.05986	4.6
161.09650	4.8
163.11241	5.8
165.07088	2.4
165.12819	2.6
167.08595	1.7
169.10156	3.7
171.08052	5.2
171.10193	4.1
171.11734	5.6
173.09637	4.9
173.13283	3.1
175.07495	2.4
175.11212	5.4
177.12776	3.0
181.10216	2.9
183.08003	2.4
183.11650	3.4
185.09671	3.6
185.13309	2.8
187.11174	4.9
187.14870	3.1
189.11241	22.0
189.12851	4.2
191.14444	2.4
193.10486	2.2
193.12250	13.0
195.11693	4.0
195.63995	1.6
197.09656	2.4
197.13274	3.7
199.11263	7.2
203.14519	2.1
205.12230	2.4
211.11247	2.3
211.13275	2.2
213.12727	4.8
215.14404	7.6
217.12297	5.9
219.13771	2.7
223.13290	3.5
225.12711	2.1
227.12813	6.6
231.13852	3.2
233.15428	11.7
235.13326	2.5
237.12750	4.3
239.14494	1.7
241.14389	6.4
245.15434	3.5
249.14911	1.8
255.13872	4.1
257.15347	3.8
259.13303	3.4
267.16031	5.2
271.17050	2.4
273.14847	18.9
281.15271	1.8
281.31891	1.6
291.16006	3.8
321.22501	2.6
323.23495	1.6
339.23163	6.3
349.21576	17.8
357.24255	8.6
367.22693	54.8
385.23758	100.0
403.24774	23.9
423.25284	2.5
433.25732	1.6
441.26328	10.0
459.27448	82.6
477.28500	68.0
477.35471	2.4
478.29007	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	13.5
55.05515	55.7
57.03448	9.4
65.03939	2.2
67.05509	46.0
69.03431	6.9
69.07079	13.4
70.84056	2.3
70.84390	2.9
71.04998	4.4
79.05502	56.5
79.05958	3.0
81.03420	18.1
81.07066	39.0
83.04985	10.0
83.08628	30.7
85.02916	1.9
85.06564	5.2
91.05490	32.3
93.07056	29.5
94.12319	1.7
95.04984	18.2
95.08624	15.9
95.10704	2.1
97.06536	7.6
97.10183	54.3
103.05448	2.1
105.07034	21.8
107.04958	31.8
107.08604	31.7
109.06551	9.6
109.10178	13.6
111.08100	5.4
113.06017	1.7
115.05451	3.8
117.07000	12.5
119.08609	19.4
121.06512	29.7
121.10160	6.0
123.04462	2.7
123.08100	8.1
123.11718	3.2
125.06018	2.5
125.09640	44.2
128.06258	3.5
129.07004	13.1
131.04939	5.3
131.08574	15.6
132.84933	1.7
133.06508	10.8
133.10110	10.6
135.08051	11.1
135.11713	3.3
141.06995	3.6
142.07758	1.9
143.08571	9.2
145.06485	16.6
145.10126	10.0
147.04449	6.2
147.08046	9.8
147.11699	8.9
149.09634	6.3
149.13214	2.1
151.07585	2.0
153.09119	12.6
153.12782	4.0
155.08589	7.0
157.06564	4.4
157.10152	6.1
159.08092	5.1
159.11690	4.1
161.06047	2.6
161.09621	6.6
163.11238	6.1
165.12798	1.9
167.08638	2.5
168.09320	1.8
169.10155	6.0
171.08139	4.7
171.10175	7.1
171.11720	6.0
173.09627	6.9
175.07613	2.2
175.11217	5.8
177.12756	2.6
181.10149	4.3
183.11740	2.5
185.09598	3.7
185.13290	2.8
187.11177	4.1
187.14886	3.7
189.09471	3.5
189.11230	23.5
189.12744	3.6
193.12296	13.5
195.11694	4.8
197.09604	2.3
197.13197	2.9
199.11264	5.3
205.12291	4.1
209.09737	1.6
211.13274	3.6
213.12845	3.5
215.14354	7.7
217.12448	5.6
223.13283	3.7
225.12865	2.3
227.12505	8.8
227.14705	2.9
231.13840	3.6
233.15402	13.9
237.12749	3.5
239.14262	2.2
241.14415	7.2
245.15454	3.4
255.13763	5.6
256.48550	1.8
259.13419	2.6
267.16003	8.0
269.15247	1.9
271.17078	2.7
273.14853	17.2
275.16595	4.0
283.17212	2.0
291.15967	4.5
331.20712	2.5
339.23056	10.2
349.21649	18.4
357.24216	9.2
367.22723	63.2
385.23776	100.0
403.24841	31.3
403.29718	2.8
405.24576	2.3
423.25543	2.4
429.52771	1.9
441.26535	9.7
459.27466	91.9
477.28561	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34923	1.6
53.03941	9.7
55.01855	5.2
55.05512	13.3
57.03417	6.8
57.07053	3.3
59.04979	2.0
61.02912	4.6
65.03920	3.1
67.05504	30.2
68.99770	2.3
69.03426	49.9
69.07069	21.0
69.42184	3.7
69.42601	11.9
71.04649	2.3
71.04993	29.1
73.02898	1.9
79.05489	22.9
81.02988	3.0
81.03419	43.0
81.07056	65.5
83.04970	6.5
83.08614	9.6
85.02428	3.1
85.02909	51.0
85.06522	7.1
87.00829	22.9
87.04450	5.5
91.05480	28.4
93.07041	40.7
95.04951	7.4
95.08609	74.6
97.02882	20.4
97.06493	10.2
97.10148	5.3
99.04447	12.5
99.08086	6.8
101.05994	9.7
103.05419	2.1
105.01868	15.7
105.03405	17.8
105.07027	50.6
107.04882	2.2
107.08594	44.0
109.02870	34.3
109.06493	3.9
109.09455	3.9
109.10155	38.9
111.04424	4.8
111.07314	1.8
111.08058	7.8
115.07591	10.2
117.06989	3.0
119.08581	74.8
121.10137	25.4
123.08083	3.8
123.11703	15.9
125.09640	3.4
127.02969	3.1
127.03915	64.0
127.07490	3.2
131.08565	6.7
131.24823	1.9
133.10135	57.5
134.06082	2.2
135.11671	20.9
137.06010	2.2
137.09613	6.9
137.13252	7.6
139.11212	2.2
143.08626	2.0
145.04938	6.8
145.10112	6.3
147.11687	29.6
149.13275	15.1
151.11180	7.0
159.02873	4.0
161.13245	5.4
163.14796	19.1
165.16383	4.7
167.14185	2.6
173.13272	8.6
175.14822	100.0
177.16402	5.4
181.04967	26.9
185.13155	2.7
187.05988	5.7
187.07526	1.9
191.14279	4.4
193.15868	54.4
199.16928	7.9
208.48184	2.0
209.15276	3.9
211.16924	65.7
213.03899	7.8
221.15335	2.4
229.17978	27.2
231.04991	23.3
235.16859	2.1
249.06052	2.0
285.11725	1.9
298.10275	1.7
301.17944	4.6
319.19055	3.8
397.22232	4.7
405.18985	2.7
409.93900	1.7
423.20349	9.7
441.21771	9.0
459.22247	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	477.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12145	0.6
53.03946	1.4
55.05509	0.8
61.02924	1.3
65.03928	0.9
67.05486	1.4
69.03429	3.1
69.55294	4.0
70.06587	1.8
71.05017	0.7
73.02945	0.6
79.05479	2.6
80.05044	0.6
80.86806	0.6
81.03413	1.6
81.07048	2.2
84.08139	1.4
85.02905	8.8
85.06552	1.2
87.04480	0.7
91.05467	2.6
92.04994	0.9
93.05781	0.8
93.07047	3.3
94.06555	2.4
95.02447	3.8
95.04979	1.0
95.07356	1.6
95.08601	1.7
96.08141	4.5
97.02899	2.2
97.06524	0.9
99.04434	1.3
103.05435	0.8
103.87842	0.7
105.07014	1.9
106.06512	0.9
107.08610	1.5
108.08124	9.9
108.08799	1.2
109.02883	1.7
109.10152	1.5
110.09682	8.2
113.03496	4.5
119.08570	1.8
120.04470	11.0
120.08098	7.1
121.06532	0.8
121.10199	0.7
122.83987	0.7
123.08044	0.8
126.09150	1.5
127.03908	2.9
133.10124	1.5
134.06015	1.8
135.11726	1.1
136.07587	22.9
137.05983	1.1
137.09651	0.7
138.05482	2.3
138.09145	12.7
144.04471	0.7
145.02853	1.3
145.04958	1.8
147.11719	0.7
148.07579	6.4
154.07372	1.3
154.08636	25.6
161.05965	1.8
162.05510	100.0
166.08647	24.8
175.14830	1.2
177.05469	1.6
181.04895	0.9
182.09630	0.7
184.09947	1.6
193.15855	1.2
194.08812	0.7
201.05580	0.8
210.15869	0.6
211.10797	0.8
211.16907	1.3
227.11804	3.8
229.11867	11.0
251.09152	1.3
255.11351	3.5
269.12875	3.8
273.12384	2.4
279.21136	0.9
287.14008	3.6
297.12341	10.5
315.13409	77.6
316.13876	1.2
340.15427	0.8
355.14981	2.1
386.66281	0.7
442.16779	0.7
477.13992	1.7
477.20270	1.4
501.20026	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.1
53.68298	1.6
55.05267	1.9
55.05513	23.0
57.03437	1.8
57.07071	7.4
62.65976	1.6
62.97550	1.5
67.05511	28.0
69.06721	2.5
69.07075	35.9
71.04996	4.2
71.26110	2.1
77.53503	1.4
79.05506	15.4
81.07064	69.4
83.08618	14.9
85.06519	2.2
86.53286	1.7
91.05489	16.3
93.07050	46.9
95.04958	3.3
95.08616	100.0
97.06523	5.2
97.10181	8.8
99.91577	1.6
105.07037	40.3
107.07877	4.0
107.08604	68.7
109.06516	5.0
109.10166	67.6
109.10929	2.8
111.08099	5.1
111.11711	2.6
113.09692	1.8
117.07007	6.2
119.08587	60.9
121.10154	80.0
123.08093	4.2
123.11719	33.8
125.09626	5.5
125.13309	2.4
129.06937	2.1
131.08566	11.8
133.10143	47.6
135.11703	53.2
137.09666	8.2
137.13290	11.9
139.11223	3.8
143.08545	3.0
143.10683	6.7
145.10146	19.9
147.11691	33.8
149.13289	32.7
151.11201	5.4
151.14824	2.9
157.00681	1.7
157.10150	7.1
157.83879	1.5
159.11694	24.9
160.12502	1.8
161.13266	29.7
163.11179	2.8
163.14822	13.2
165.12743	3.2
165.16490	2.9
171.11717	4.6
173.13269	16.9
175.11032	1.5
175.14839	34.8
175.30678	1.7
177.16408	10.5
179.14349	3.1
181.12315	2.3
185.13283	4.2
185.38104	1.5
186.14084	2.3
187.14850	24.6
189.16402	22.6
191.14349	2.0
191.17953	49.7
191.19597	3.0
193.15881	16.0
199.14850	4.6
201.16396	16.2
203.17986	10.4
205.19504	5.4
211.14964	1.9
211.17018	5.4
213.16400	6.2
215.17953	11.9
217.19539	10.4
226.55583	1.9
227.18010	4.4
229.19522	35.0
231.21091	25.1
233.19029	2.2
241.19485	4.1
243.21201	2.1
247.20657	8.3
255.21114	3.4
257.22690	6.7
259.24225	6.3
262.90915	2.0
285.25757	31.4
295.24051	2.7
303.26752	3.0
325.28867	5.1
346.01212	2.0
351.30637	8.5
369.31561	87.1
423.36224	12.7
441.37256	27.2
453.73392	1.6
476.34412	1.9
476.41107	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	476.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
54.35131	2.4
55.05277	3.2
55.05510	22.1
57.07084	4.8
59.05013	3.1
61.12893	2.9
67.05506	31.7
69.03448	3.1
69.06728	3.5
69.07075	43.3
69.29490	25.9
71.04997	5.6
79.05490	18.6
81.07059	61.5
83.04970	5.9
83.08619	18.5
85.06535	5.9
85.25594	2.6
91.05504	17.3
93.07050	48.2
95.08614	100.0
97.06525	7.7
97.10152	9.4
105.07030	42.9
107.08605	65.4
107.20999	2.4
109.06499	4.0
109.10160	82.0
109.16445	2.9
111.08107	4.4
111.11736	4.2
112.21271	3.1
113.09650	4.6
117.07019	4.9
119.08591	45.2
121.10153	68.0
123.08057	5.2
123.10827	3.4
123.11715	50.1
125.09649	5.7
125.50083	2.7
131.08557	14.0
133.10132	45.8
135.11696	45.6
137.09612	11.9
137.13278	17.8
139.11165	6.9
143.08533	4.1
145.10127	23.0
147.11717	31.3
149.13284	25.9
151.11151	8.2
151.14827	4.9
157.10110	5.2
159.11700	24.7
161.13283	27.0
163.14839	14.4
165.12741	3.1
171.11673	6.7
173.13319	15.8
175.14842	43.1
177.16382	9.5
185.13304	6.8
186.13997	4.9
187.14813	25.0
189.16351	20.7
191.14279	4.8
191.17984	15.0
193.15926	20.4
197.13379	4.7
199.14789	3.8
201.16420	7.2
203.17952	11.7
207.17592	3.0
211.15096	3.4
211.17003	11.7
213.16380	10.7
214.17130	6.3
215.18053	17.8
217.19518	11.9
225.16267	3.0
227.17923	7.2
229.19501	39.1
231.21109	42.8
241.19539	7.7
247.20583	10.5
257.22586	8.8
259.24243	6.9
269.22601	4.5
271.24252	4.4
285.25784	5.6
317.24585	2.7
325.28989	4.8
351.30447	8.5
369.31549	75.0
399.27487	3.2
405.34940	4.6
423.36243	21.1
441.37289	63.7
476.32510	4.2
476.40784	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	476.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70673	9.2
51.53148	8.8
51.66748	8.9
55.05507	23.4
57.07077	11.6
60.60764	8.5
67.05511	40.6
69.07069	27.1
69.54376	68.4
79.05488	26.5
81.07064	92.3
83.05001	11.1
83.08620	15.5
88.37564	9.9
91.05501	27.4
93.07048	66.6
94.07354	11.7
95.08611	100.0
97.10194	10.8
100.70396	9.2
105.07029	70.6
107.08604	89.3
109.10148	60.6
117.05545	16.9
117.06999	12.8
119.08601	82.1
121.10143	74.2
123.08117	12.2
123.11725	30.8
131.08554	30.7
133.10167	65.8
135.11702	53.8
137.13274	20.7
139.19891	12.1
143.08539	13.4
145.10132	37.3
147.11685	48.7
149.13271	20.9
153.12727	11.3
157.10164	13.4
158.19315	11.7
159.11694	30.3
161.13275	29.0
163.14821	14.7
173.13268	28.9
175.14864	31.0
185.13277	14.5
185.87106	11.5
187.14792	19.8
189.16426	16.2
191.18039	23.0
199.14748	14.6
201.16508	11.3
203.17899	9.6
209.75529	10.2
215.17940	11.6
229.19589	23.5
231.21121	13.4
423.36523	12.2
441.31268	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	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
55.05515	3.6
57.07055	0.6
62.06084	2.5
63.13856	0.5
67.05508	12.3
69.07072	3.2
71.55368	0.6
72.89566	0.6
73.68493	0.5
79.05499	5.7
81.03416	0.9
81.07063	9.0
83.08621	1.4
85.05289	2.0
86.06073	0.6
91.05476	2.3
93.07058	5.4
95.04937	1.1
95.08607	6.2
98.06062	10.5
98.98460	0.9
99.06859	0.6
105.07039	1.3
105.22440	0.5
107.08605	2.4
108.08138	0.5
109.10170	2.5
110.09654	0.4
112.07623	0.9
119.08585	1.1
121.10150	1.3
123.11700	1.0
124.07610	0.9
129.07104	0.5
133.10150	1.1
135.11676	1.1
138.09113	0.6
139.87668	0.5
140.10745	0.9
142.75905	0.5
145.10144	0.8
147.11700	0.8
149.13193	0.6
152.10724	0.6
160.89618	0.5
180.13713	0.6
182.15378	0.6
194.15404	0.6
196.16956	0.7
208.16978	1.1
222.18407	0.8
234.18463	0.5
304.26358	100.0
305.26584	1.1
335.25851	3.2
458.26538	0.5
476.27298	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01871	0.9
55.05518	8.1
57.03444	5.6
57.07059	0.7
60.40064	0.4
65.03932	0.8
66.83051	0.4
67.05512	26.3
67.05875	1.2
69.07074	7.3
70.99479	1.1
71.04981	0.6
79.05061	0.8
79.05496	12.8
81.07067	21.1
83.04974	0.8
83.08632	3.1
90.39494	0.4
91.05490	6.6
93.06470	0.9
93.07055	14.8
95.04980	0.8
95.08614	16.4
97.06529	0.8
97.10170	0.9
98.06062	0.9
98.98462	0.7
105.07040	4.1
107.08592	6.4
109.10170	5.9
111.08064	0.6
117.07029	1.1
119.08588	3.4
120.97784	0.4
121.10134	4.9
123.08088	0.5
123.11722	2.0
130.28452	0.4
131.08578	1.4
133.10133	1.9
135.11713	2.7
145.10150	0.9
147.11707	1.5
149.13277	1.3
159.11671	0.7
161.13251	0.9
174.10422	0.4
203.22011	0.5
216.06346	0.7
283.68842	0.5
304.26367	8.8
314.28793	0.6
335.25824	100.0
336.26105	1.3
476.27478	0.8
483.23654	0.5
495.11746	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.9
58.46875	5.4
60.04507	6.2
67.05491	17.4
69.03407	18.0
69.07068	11.6
70.99933	14.4
71.78823	6.6
73.02904	5.8
76.98071	5.6
79.05495	8.5
79.28814	6.3
81.03450	14.7
81.07062	29.3
83.04963	10.5
83.08595	10.2
85.02896	24.6
85.06487	6.6
87.00853	10.3
91.05483	10.5
93.07033	12.3
95.04937	9.1
95.08598	25.9
97.02879	14.4
99.04493	6.8
105.07053	15.8
107.08588	23.4
109.02897	9.7
109.06492	10.6
109.10149	55.4
119.08573	24.4
121.10152	17.5
123.11738	11.8
125.09616	10.3
127.03918	13.0
133.10094	19.7
135.08037	7.0
135.11671	45.0
137.05942	7.1
137.09634	13.9
145.04936	12.6
147.11650	6.6
149.13258	6.9
151.11206	9.8
151.14806	7.3
161.06010	6.5
173.13293	7.3
175.14835	27.9
192.14713	8.7
193.15880	27.6
210.15697	11.9
211.16936	100.0
218.05168	6.9
370.75461	7.3
372.11633	15.1
460.86511	6.2
476.27841	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	476.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21206	0.5
53.03946	2.3
55.01884	3.0
57.03440	1.5
60.04506	0.8
61.02924	2.2
64.21662	0.5
69.03432	6.1
69.51167	3.7
70.06585	1.0
70.48578	0.6
71.04987	1.0
73.02919	2.2
79.05500	3.9
81.03421	6.3
84.04504	0.7
85.02908	16.9
86.09711	1.2
87.00842	6.1
90.04704	0.7
91.05497	2.9
95.04991	0.7
97.02896	5.0
98.06047	0.7
98.21525	0.5
99.04473	3.4
99.05002	0.7
103.05477	4.0
105.01887	4.1
105.07037	42.3
107.04955	0.6
108.04479	3.8
109.02882	6.7
115.05470	7.6
116.07053	0.6
117.01813	0.7
118.04169	3.5
119.04972	1.2
126.05525	2.3
127.03927	10.3
129.01843	1.0
131.04919	1.6
133.06500	45.4
143.05008	1.0
143.06041	4.2
145.04951	4.6
147.04385	1.3
159.02922	3.8
161.05989	99.8
162.06372	0.7
165.09084	0.8
193.08617	100.0
194.08870	1.0
211.09648	1.0
227.10381	0.9
228.10573	1.0
230.06657	1.1
231.05077	2.3
248.07608	2.4
251.64047	0.6
279.15790	0.5
283.91144	0.5
287.10352	0.6
336.46857	0.6
476.17184	2.0
493.65320	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
54.20187	0.8
55.05513	9.4
57.07075	3.0
62.15052	0.8
67.05504	6.4
69.05701	0.9
69.07069	8.1
69.28905	6.3
69.29313	1.7
72.08132	0.9
73.06940	0.8
75.33672	0.8
77.62904	0.7
79.05479	3.6
81.07062	26.8
83.08625	13.6
91.05494	2.3
91.37821	0.8
93.07038	5.7
95.08611	15.8
97.10167	4.0
105.07037	7.1
107.08580	10.5
109.10161	10.6
111.11720	1.5
119.08601	11.6
121.10157	9.1
123.11714	100.0
125.09644	0.9
131.08549	1.0
133.10139	10.0
135.11722	8.2
137.13252	3.6
141.12747	68.7
142.27795	0.9
145.10141	1.9
147.11703	8.8
149.13278	3.0
151.66127	0.9
159.11682	2.4
161.13213	5.6
163.14796	2.5
173.13277	2.3
175.14890	5.5
177.16420	3.2
179.14243	1.1
185.13301	1.1
187.14827	2.8
189.16383	4.8
191.17879	2.3
199.14810	0.8
201.16393	2.1
203.18042	1.5
207.17499	2.8
213.16461	0.9
215.18008	2.1
217.19522	6.0
229.19434	1.2
231.21144	2.5
235.20578	1.3
241.19565	1.0
243.20963	1.3
251.04829	1.1
285.25839	1.6
297.25974	0.9
315.26709	1.3
337.29031	1.8
355.29910	6.4
365.32108	1.0
421.38254	4.5
439.39432	20.6
457.40469	46.5
475.21033	9.8
475.32983	1.9
475.41345	2.3
476.21820	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3787
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
53.00695	3.7
53.03938	4.5
55.01857	4.3
55.05505	14.1
56.94977	3.5
57.07067	9.1
60.71428	4.1
65.03946	4.2
67.05504	29.5
69.07056	15.5
69.52173	13.3
69.52609	14.3
71.04985	8.7
79.05501	28.0
81.03425	6.2
81.07063	56.7
83.04984	7.5
83.08615	15.8
91.05486	24.2
92.06886	3.7
93.07056	29.0
95.04987	5.9
95.08619	47.6
96.08881	4.2
97.06552	7.3
97.10175	4.2
105.07036	29.5
107.08601	92.9
109.06535	5.9
109.10160	40.8
111.08074	7.8
111.11788	4.3
117.07035	9.4
118.57003	4.9
119.08572	29.4
121.10132	32.5
123.08057	8.1
123.11722	13.6
125.09636	100.0
129.07027	4.7
131.04932	6.4
131.08562	11.7
133.10112	24.5
135.11685	26.3
137.05968	16.3
137.13318	5.5
143.08592	4.5
145.10155	29.3
147.11684	14.9
149.13266	13.7
157.10118	10.1
159.11739	22.8
161.13235	11.7
163.11212	7.7
163.14816	10.0
171.11668	10.5
173.13274	16.2
175.11308	4.1
175.14876	10.1
177.12817	4.8
177.16335	4.2
185.13284	6.4
187.14838	16.4
189.12706	5.7
189.16440	9.8
191.14418	4.8
193.10297	4.2
193.15912	4.5
199.14792	8.2
201.12721	4.2
201.16388	11.5
205.15874	12.5
215.17906	9.4
219.17458	6.0
233.18864	4.4
253.19487	4.7
267.33972	4.2
365.28595	5.4
385.30405	5.2
403.32376	4.7
421.34753	39.1
439.35709	71.1
457.36591	7.7
475.26657	4.9
480.93362	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	475.3786
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
52.81199	3.7
55.05503	15.3
57.03428	5.3
57.07065	9.8
59.05000	6.4
67.05517	29.7
69.07059	15.8
69.45342	24.1
71.04990	29.4
75.22193	3.9
75.97421	3.2
79.05495	29.2
81.03416	8.6
81.07064	42.6
83.04975	7.4
83.08615	12.4
85.06541	12.6
91.05488	16.7
93.07050	34.6
95.04977	9.3
95.08604	39.1
97.06519	9.0
97.10178	13.3
105.07033	28.8
107.08603	54.9
109.10165	41.8
117.07014	5.6
119.08592	33.7
121.10146	34.4
123.11703	13.0
125.09614	43.0
127.11217	18.6
129.06966	5.7
131.08582	9.8
133.10152	28.3
135.11668	20.7
143.08510	3.5
143.10686	100.0
145.10120	22.3
147.11678	26.3
149.13272	13.4
159.11697	24.4
161.13283	15.6
163.11241	17.6
163.14857	7.5
171.11670	10.6
173.13284	11.1
175.14818	11.4
185.13335	5.6
187.14783	7.6
189.16409	11.3
201.16342	14.1
203.17967	4.4
205.15916	16.0
207.13829	9.2
213.16267	6.1
215.17932	16.1
219.17480	5.6
231.11281	3.8
233.18962	11.7
234.93153	4.5
236.14915	11.3
237.15277	8.8
257.18842	3.7
301.25275	4.8
353.28415	4.9
421.34631	30.0
439.35803	78.5
457.37024	52.7
475.31564	21.5
475.38901	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	475.3785
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
55.01869	3.2
55.05518	13.3
57.07071	5.6
67.05504	18.3
68.72961	3.0
69.03461	4.4
69.07064	16.7
69.29282	18.2
69.29692	5.3
71.04995	19.1
73.06516	2.8
77.20598	2.5
79.05484	11.7
81.07073	29.9
83.04979	4.9
83.08611	9.8
85.06543	10.9
91.05460	12.9
93.07063	21.5
95.04977	5.9
95.08617	32.3
97.06525	6.4
97.10171	12.7
98.20787	6.0
99.08093	4.3
105.03384	8.7
105.07036	24.1
107.08610	47.7
109.10165	31.9
111.11707	2.9
117.07025	4.9
119.08584	34.2
121.10159	35.6
123.08060	5.2
123.11715	12.4
124.74962	2.6
125.09637	30.4
127.11194	22.8
129.07002	3.4
131.08556	11.7
133.10127	27.5
135.11713	25.6
137.09587	5.3
137.13260	5.6
143.08614	3.9
143.10680	92.5
145.10121	20.3
147.11707	21.5
149.02348	3.7
149.09619	4.9
149.13277	9.6
157.10155	6.6
159.11713	27.8
161.13255	15.3
163.11189	16.1
163.14807	4.9
165.12743	3.4
169.52339	3.1
171.11685	5.6
173.13277	9.9
175.14809	7.6
177.12769	8.8
185.13168	5.1
187.14812	12.5
189.16490	6.9
191.17834	3.9
199.14769	5.8
201.16402	13.2
202.77245	3.0
203.14357	4.3
203.17943	7.8
205.15884	21.4
207.17555	3.7
211.14799	3.0
213.16411	6.3
215.17932	14.9
217.19588	3.8
219.17383	5.4
221.18930	3.9
233.19012	8.4
241.19510	6.1
245.18779	3.3
259.20554	4.3
261.45322	3.1
261.97064	2.9
271.20569	3.5
279.21039	2.7
285.22275	3.0
287.23740	2.7
341.28146	6.3
343.26053	3.0
353.28497	7.3
381.31351	3.9
416.34113	2.6
421.29279	3.6
421.34702	50.6
439.35739	100.0
457.36780	32.5
463.80603	3.1
475.21149	12.2
475.30862	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	475.3784
Annotation	Lycocryptol
Peak:m/z	Relative Intensity
55.05510	8.0
57.07068	5.1
67.05517	6.0
69.03416	2.1
69.07078	6.2
69.99785	3.8
71.04992	19.6
73.06548	3.2
78.46332	1.0
79.05499	4.8
81.07056	13.9
83.04971	2.9
83.08603	7.3
85.06537	9.4
91.05457	4.8
93.07056	11.5
95.08613	16.6
97.06514	2.7
97.10185	7.4
99.08104	2.9
105.07034	12.7
107.08595	31.4
109.09383	1.1
109.10150	22.7
111.08058	2.4
117.07018	1.5
119.08574	19.4
120.46709	0.9
121.10155	18.3
123.08030	1.3
123.11729	7.8
125.09635	36.2
127.11192	18.8
128.63599	1.1
131.08537	5.4
133.10135	13.8
135.08037	1.2
135.11705	12.3
137.00024	1.3
137.09590	2.3
137.13272	1.4
143.10677	100.0
145.10110	13.8
145.29411	1.1
147.11685	15.3
149.09607	1.8
149.13252	5.7
151.11124	1.2
157.10156	2.9
159.11694	12.2
160.96426	1.0
161.13263	8.5
163.11250	6.6
163.14819	2.5
169.10019	1.8
171.11668	2.1
173.13287	7.9
175.11148	1.3
175.14828	4.4
176.49149	0.9
177.12737	4.7
177.16306	1.3
185.13277	2.8
187.14825	7.4
189.16380	3.2
191.14279	1.7
191.17938	1.2
199.14793	1.6
201.16360	6.8
203.14285	2.0
203.17926	4.5
205.15889	13.4
207.17598	1.2
211.14819	1.7
213.16399	3.4
215.18016	9.7
219.17404	3.9
221.19019	1.9
227.17995	2.8
229.19507	1.6
231.17404	2.3
233.18962	4.5
239.17819	1.4
241.19528	1.8
243.20943	1.6
245.19086	1.8
259.20541	1.9
269.22610	1.5
271.20612	2.9
285.22098	1.9
287.23633	1.2
289.25244	1.4
299.23807	1.2
301.25052	2.4
337.25189	1.3
341.28455	1.8
353.28430	2.5
367.30042	2.1
369.31482	1.1
397.35138	1.1
421.34656	24.3
439.35733	53.3
440.36151	1.4
457.36838	19.6
475.27029	1.2
475.38104	2.2
504.20984	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01883	3.6
55.05518	24.7
56.50477	1.9
57.03429	4.2
59.05004	2.2
61.02926	2.2
67.05509	22.6
69.03425	17.4
69.07076	16.3
69.38642	13.7
70.06583	2.2
71.04993	8.7
71.94834	1.7
73.10492	1.6
79.05496	20.5
81.03425	22.8
81.07059	44.8
83.04982	12.1
83.08605	12.7
85.02905	20.8
85.06532	5.8
87.00817	5.2
91.05474	19.0
93.07045	39.6
95.04990	13.3
95.08610	48.5
97.02909	10.5
97.06534	17.4
97.10168	14.1
99.04446	10.1
99.08088	3.2
101.06010	4.3
105.01822	3.7
105.07041	21.6
105.56506	1.8
107.04951	3.4
107.08598	60.4
109.02872	13.7
109.06534	19.9
109.10163	20.2
109.74296	1.8
111.04452	11.4
111.08070	7.6
115.03957	2.4
117.07010	6.1
119.08595	18.8
121.06509	5.3
121.10160	22.1
123.08047	7.8
123.11701	3.7
125.05992	4.7
125.09612	12.5
127.03936	11.3
127.07600	2.1
129.05464	6.5
129.07034	2.5
129.31442	1.6
131.08560	10.2
133.10147	19.8
135.08057	8.8
135.11671	8.8
137.05989	4.4
137.09636	4.3
139.07564	2.2
139.11192	4.5
141.09087	3.1
143.08572	5.3
145.04973	2.4
145.10135	13.0
147.08090	2.2
147.11688	18.3
149.05966	2.0
149.09634	9.7
149.13272	10.3
151.07591	5.1
151.11168	4.2
153.09106	10.8
153.10239	1.5
154.06548	2.8
155.08577	2.7
157.10159	5.2
159.08034	2.0
159.11653	2.7
161.09656	2.9
161.13245	3.2
163.11148	4.6
163.14825	29.3
165.09160	2.5
165.12759	7.1
167.07054	4.9
169.10208	2.3
171.10063	1.8
171.11702	4.7
173.09563	4.2
173.13261	12.6
177.09155	2.1
177.55519	2.4
179.14238	2.0
181.07538	10.2
183.11638	2.2
185.09680	2.0
185.13197	1.9
189.09053	1.9
189.12712	4.1
191.14311	30.5
193.08574	1.8
197.13266	1.9
199.08649	51.6
199.10576	2.9
199.11295	2.8
207.13786	4.9
209.15375	100.0
213.12866	2.5
215.10718	1.9
227.08162	42.6
227.16409	35.6
317.17703	1.8
335.18433	4.9
353.19553	11.8
371.12479	5.6
371.20663	55.4
383.22256	2.2
389.13223	5.4
440.65353	2.0
457.26318	2.6
475.16986	16.5
475.23254	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
53.36856	2.3
55.01863	5.0
55.05512	25.9
57.03439	4.1
57.07061	2.6
59.04998	2.8
59.12946	1.9
67.05502	21.1
69.03432	17.7
69.07080	13.1
70.06586	4.1
71.05002	11.4
71.56054	3.8
71.56425	2.3
73.02920	2.2
76.47141	1.8
79.05496	23.2
81.03419	23.5
81.07063	46.1
83.04975	8.6
83.08616	10.1
83.66946	2.2
85.02909	29.0
85.06533	8.2
87.00820	6.4
87.04455	3.0
91.05476	17.9
93.07045	34.6
95.04988	12.5
95.08611	45.5
97.02913	13.1
97.06535	15.8
97.10175	15.1
99.04465	10.8
101.05999	5.2
105.01868	3.9
105.07034	21.7
107.04962	4.3
107.07878	3.5
107.08599	58.6
109.02905	12.9
109.06532	19.8
109.10154	19.0
111.04433	12.4
111.08071	8.8
113.05974	2.3
116.10702	2.1
117.07037	2.7
119.08581	19.8
121.06506	3.8
121.10151	22.4
123.08081	7.2
123.11712	3.9
125.05983	2.5
125.09622	14.9
127.03916	13.5
129.05482	5.7
129.07002	3.9
131.08571	11.4
133.06514	2.8
133.10138	21.1
135.08054	9.4
135.11690	9.6
137.05984	4.7
137.09593	7.2
139.07524	4.9
139.11139	3.2
141.09102	4.7
143.08562	3.8
145.04968	5.8
145.10165	10.4
147.07961	4.4
147.11691	18.2
149.06029	2.5
149.09641	13.5
149.13257	13.2
151.07567	4.1
151.11229	3.8
153.09096	9.2
154.06506	5.3
155.08569	3.5
157.10133	4.1
159.11746	5.6
161.06027	2.8
161.09610	4.0
161.13252	4.0
163.07483	3.0
163.11168	3.3
163.14822	34.5
165.12709	9.8
167.07097	3.6
167.10703	2.3
171.11678	5.0
173.09634	2.9
173.13249	12.8
175.14795	3.1
177.09163	2.4
179.08591	2.2
181.07585	17.4
189.12823	2.9
191.14340	26.0
195.11726	2.3
197.09573	2.2
199.08670	85.6
201.66695	2.4
207.13834	5.5
209.13591	3.6
209.15364	100.0
213.12796	2.5
223.11012	2.3
225.14763	3.6
227.08162	65.3
227.16412	28.2
231.08549	2.9
281.15186	2.5
335.18481	4.9
353.19543	14.8
371.12418	8.8
371.20645	63.0
383.14948	2.4
383.22198	2.5
389.13528	4.7
475.16882	19.1
475.23135	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01863	3.6
55.05523	2.8
57.03436	3.7
57.07093	1.9
59.05005	1.8
61.02900	1.4
67.05505	6.7
68.99791	2.4
69.03447	9.5
69.07067	6.2
69.37883	7.7
70.21043	1.3
71.04980	5.2
76.59716	1.1
79.05490	7.4
81.03428	6.7
81.07051	12.5
83.04974	6.2
83.08590	4.0
85.02917	15.9
85.06529	5.1
87.00813	7.7
91.05477	7.0
93.07051	18.2
94.27740	1.2
95.04977	3.7
95.08607	18.9
97.02903	6.9
97.06509	3.9
97.10194	1.9
99.04454	9.1
99.08108	11.8
105.01851	5.1
105.07040	8.7
107.04956	6.3
107.08606	36.1
109.02879	5.2
109.06519	8.1
109.10162	12.4
111.08093	4.9
117.07069	1.6
119.08610	6.0
121.06509	16.0
121.10159	27.9
123.08093	14.7
123.11703	2.9
125.06029	2.1
125.09632	7.6
127.03945	12.3
131.08595	10.6
133.10146	14.5
135.08051	11.8
135.11673	3.0
137.09636	4.6
139.07530	1.6
139.11115	2.0
143.08659	1.2
145.04964	2.8
145.10124	2.9
147.11716	6.9
149.09636	52.0
149.13277	16.3
151.11192	16.2
153.09125	5.2
156.41298	1.3
159.02910	2.3
163.11160	2.2
163.14838	23.4
165.12607	1.3
173.11906	2.1
173.13281	17.4
183.13763	1.7
191.14319	57.5
209.15385	100.0
227.16385	13.9
231.04871	1.6
256.09418	1.5
282.91956	1.1
475.32773	2.1
502.44711	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89456	2.7
53.03947	11.4
55.01871	14.2
55.05512	9.5
57.03439	8.2
59.05003	2.5
61.02925	5.4
62.65460	2.6
65.73952	2.6
67.05514	11.0
68.99774	3.0
69.03432	40.6
69.07073	7.4
70.06607	2.7
70.18930	4.9
70.19323	5.3
71.05003	14.2
73.02914	8.8
73.19106	2.5
79.05509	14.4
81.03426	45.5
81.07060	25.7
83.04996	3.5
83.08634	2.4
85.02911	100.0
85.06535	4.1
85.88275	2.4
86.07461	2.3
87.00842	33.7
90.31509	2.4
91.03944	3.8
91.05477	19.7
93.07053	24.2
95.04964	11.4
95.08617	17.9
95.77692	2.3
97.02900	34.9
97.06518	7.6
97.10152	3.8
98.21510	2.7
99.04453	21.2
105.01874	32.3
105.07034	21.0
107.04975	4.7
107.08600	24.4
109.02886	40.4
109.06491	5.8
109.10176	14.7
117.01867	4.3
117.07034	11.4
119.08582	18.6
120.08925	4.7
121.02876	4.7
121.06542	7.6
121.10143	16.2
123.04455	4.1
123.08070	5.1
123.11732	5.6
127.03922	77.9
129.01889	5.1
129.06990	4.0
131.04951	3.5
131.08607	14.5
133.10136	13.2
135.08066	9.4
135.11728	9.1
136.06229	4.4
137.06003	6.8
143.08575	6.0
145.04974	35.3
145.06093	3.2
145.06592	3.1
145.10112	12.5
147.02887	5.6
147.08051	2.8
147.11678	11.8
149.09636	4.6
149.13280	12.7
151.11180	5.7
153.05424	4.9
153.09116	4.2
155.07051	4.7
155.08609	3.0
159.02904	29.5
159.11719	4.6
161.05965	4.5
161.09566	4.3
161.13168	3.1
162.04616	2.4
163.11180	3.2
163.14841	9.8
165.09135	4.5
167.07050	19.2
171.08047	2.8
171.11641	4.1
173.09799	2.6
173.13290	32.8
175.14836	5.2
183.11574	3.8
185.13109	3.2
189.04001	3.8
189.05510	5.1
191.07057	3.8
191.10683	4.4
191.14333	30.7
192.14688	7.6
202.02771	2.7
205.04955	7.8
209.15340	24.5
211.16777	3.1
213.03981	3.7
217.04932	16.1
227.16399	22.2
229.04973	8.9
231.05009	20.4
243.14070	2.8
247.05725	3.4
270.60706	2.6
276.76154	2.9
285.99667	2.7
295.15576	3.0
303.28961	2.5
311.09201	5.8
313.11847	2.9
317.17755	2.9
319.05649	3.2
351.08478	3.0
369.09821	2.6
371.11417	25.3
383.11420	15.7
383.22095	5.9
401.12164	6.5
401.17148	2.9
439.20160	2.7
457.21359	4.9
474.81723	5.2
475.27155	19.1
475.32794	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05488	0.4
57.03451	0.9
61.02916	1.1
69.03434	4.0
69.51409	3.1
69.51826	1.0
70.06590	3.6
71.04990	2.6
73.02927	1.1
74.06062	0.9
79.05487	0.9
81.03419	3.8
85.02909	9.0
85.06520	0.6
87.00837	4.0
91.05481	1.0
92.91246	0.4
93.07047	2.6
95.08613	1.0
97.02889	4.3
98.21416	1.0
99.04451	7.8
105.01878	2.8
105.07047	2.0
107.08604	3.4
109.02873	3.3
109.06515	0.6
109.10145	1.2
117.01871	0.6
120.08121	0.9
121.10146	8.1
123.08096	1.4
123.11684	1.1
127.03930	6.7
131.08542	1.6
133.10135	1.5
135.08054	3.4
145.04967	3.2
149.09627	100.0
159.02914	2.1
165.08974	0.5
165.12698	0.5
166.08664	1.2
167.07101	0.7
169.12265	1.5
175.43585	0.6
177.09129	4.5
182.69917	0.5
183.13809	1.4
191.14378	1.1
195.10127	0.4
209.11737	20.1
209.15225	3.1
209.17067	0.6
227.12823	16.2
227.16342	7.4
229.15475	1.5
231.05003	0.5
267.13510	0.9
389.16760	0.6
439.20279	0.8
475.21289	0.8
475.32657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01868	3.6
55.05505	5.6
57.03431	2.9
59.05006	1.7
61.02924	1.5
67.05504	5.8
68.99783	1.9
69.03424	10.1
69.07068	6.7
70.67827	3.5
71.04980	4.1
79.05492	7.0
81.03407	7.5
81.07059	11.3
83.04988	5.9
83.08604	3.5
85.02905	19.5
85.06528	6.3
87.00829	7.9
91.05459	7.0
93.07058	16.9
95.04959	5.7
95.08611	20.0
97.02875	8.6
97.06538	2.3
97.10161	1.6
99.04460	7.7
99.08099	13.0
105.01852	4.9
105.07035	9.1
107.04951	4.4
107.08599	34.4
109.02867	7.0
109.06522	9.4
109.10153	10.8
111.08084	3.8
117.07008	1.8
119.08604	8.0
121.06496	13.2
121.10145	26.7
123.08073	14.5
123.11701	3.0
125.06014	2.5
125.09608	6.1
127.03929	9.7
131.08556	11.9
133.10139	18.7
135.08067	12.6
135.11661	3.1
137.09641	4.5
139.07530	2.4
139.11182	3.0
145.04997	2.9
145.10033	2.8
147.11707	6.5
149.09627	57.4
149.13260	14.9
151.11194	17.9
153.09117	4.0
159.02913	2.7
163.11162	1.8
163.13580	2.3
163.14822	20.8
170.94073	1.3
173.13272	22.0
183.13895	2.3
191.14308	61.2
200.69505	1.3
209.15375	100.0
227.16447	14.4
231.04950	2.6
267.76770	1.2
320.31406	1.7
375.21881	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04570	0.5
53.03948	1.1
55.01882	2.8
57.03430	0.5
57.89606	0.5
63.22897	0.5
65.03938	0.9
65.84138	0.5
67.05502	0.9
68.99762	0.5
69.03438	4.1
69.82757	2.2
70.06604	0.9
71.04983	0.5
72.08148	1.8
73.02921	17.7
81.03435	3.6
82.04178	0.6
85.02910	7.3
86.09699	1.3
87.00848	3.5
91.05463	0.8
93.03417	0.6
93.07067	0.7
94.19969	0.4
95.04971	1.9
95.08667	0.5
97.02898	3.5
99.04465	1.3
103.05474	0.4
105.01849	1.6
109.02876	3.0
110.03676	0.7
117.01835	0.7
119.08595	0.5
121.06504	0.7
123.04428	5.1
125.02329	0.6
125.06015	0.7
127.03931	3.9
140.04692	27.5
142.02603	1.0
145.04953	1.0
147.04399	0.5
153.05466	1.8
155.07037	45.7
159.02870	1.2
161.06041	0.9
166.06218	0.6
171.06544	1.4
173.08098	1.2
178.36064	0.5
179.07091	1.1
181.04968	53.2
181.08336	2.2
209.08104	13.3
209.15393	0.7
227.09145	100.0
228.09383	0.7
270.47180	0.5
280.90808	0.5
374.76245	0.5
417.54245	0.5
431.18619	0.6
475.17584	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10802	1.7
52.87736	1.9
55.05267	2.3
55.05511	23.1
55.14356	2.4
57.03437	4.6
57.07069	6.4
58.58873	2.2
59.04996	5.7
64.36235	1.9
67.05507	29.2
69.07071	34.2
69.19901	2.0
69.30592	17.6
71.04976	5.6
79.05502	16.9
81.07062	45.1
83.05009	11.9
83.08623	16.3
85.06516	4.7
86.02863	2.2
91.05472	12.9
93.07047	42.0
95.04939	2.4
95.08613	84.0
97.06519	9.7
97.10160	8.1
99.08082	10.4
101.06033	2.3
105.06387	3.2
105.07034	31.3
107.08603	50.3
109.06495	4.7
109.10160	78.1
111.08076	9.5
113.09603	5.2
117.06986	5.8
119.08593	43.7
121.10152	55.8
123.08064	6.9
123.11728	34.0
125.09635	6.8
131.08559	16.1
133.10135	34.4
135.08029	2.9
135.11703	31.4
137.09605	8.6
137.13287	5.9
139.11171	9.3
142.07826	2.5
143.08553	7.6
144.09328	2.3
145.10135	35.2
147.11703	27.6
149.09537	2.7
149.13252	18.4
151.11218	13.0
151.14842	4.1
153.12727	4.1
157.10147	18.0
159.11713	48.5
161.13255	18.1
163.11162	4.9
163.14809	11.0
165.12790	15.8
165.16429	3.3
167.14339	3.9
169.10120	4.3
170.10875	2.4
171.11703	14.1
173.13255	25.1
175.14838	25.5
177.12772	11.5
177.16408	4.8
179.14313	2.2
183.11713	3.6
185.13287	13.9
186.14000	2.1
187.13161	2.9
187.14832	49.3
187.16457	4.4
189.12737	2.3
189.16400	13.0
191.14294	2.6
193.15901	51.2
197.13330	4.8
199.14864	10.6
201.16374	7.8
203.14401	3.1
203.17969	4.5
205.15858	3.7
207.17464	4.4
211.14995	3.5
211.16891	13.7
213.16420	26.5
214.17085	2.0
215.14308	2.6
215.18008	6.4
217.15892	2.3
217.19530	2.6
219.17441	3.1
225.16289	4.5
227.17932	25.5
228.18788	9.1
229.19548	29.4
231.17474	10.5
233.19032	5.7
239.17934	3.1
241.19606	4.9
243.17389	2.7
245.19020	36.1
247.20563	5.3
253.19493	4.4
255.21184	7.7
257.19037	2.7
257.22690	5.7
265.19574	3.3
267.21265	2.5
269.22824	2.7
271.20557	2.9
273.22083	6.6
275.23672	6.6
279.21045	3.4
281.22653	7.0
283.20761	3.6
283.24194	6.5
297.22229	2.4
299.23788	6.7
302.57059	2.2
323.27216	3.6
327.26672	2.6
341.28271	6.4
349.28882	6.3
351.26974	2.8
355.30255	2.5
357.31473	8.2
367.29965	73.1
383.29941	2.3
385.31033	100.0
387.15680	2.1
397.34296	2.8
403.19266	3.3
410.33536	2.3
411.36133	2.5
421.34698	22.8
431.18839	3.3
439.35773	44.6
457.36722	6.5
474.20270	26.0
474.26364	2.5
474.39709	4.0
475.20981	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	474.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67733	3.8
55.05511	21.2
55.59231	4.5
57.03425	4.7
57.07073	9.9
62.05272	4.0
63.41944	3.7
67.05508	30.8
69.07081	32.7
69.31876	10.4
69.32276	30.3
79.05486	15.4
81.07073	44.4
83.04991	7.2
83.08619	16.1
85.06562	5.3
91.05457	16.1
93.06550	4.4
93.07063	41.5
95.08616	99.9
97.06531	10.4
97.10168	7.6
99.08112	9.5
105.07030	33.4
107.08602	58.8
109.10168	88.2
110.53383	3.9
111.08080	5.1
111.11751	5.7
113.09672	3.9
119.08586	47.1
121.10153	56.6
123.08109	6.2
123.11741	34.5
125.09592	5.8
127.11269	5.0
131.08574	18.1
133.10136	54.2
135.11728	26.4
137.09657	6.3
137.13297	8.6
139.11185	7.6
143.08606	10.2
145.10123	38.1
147.11732	27.9
149.13263	14.2
151.11194	11.2
153.12711	7.1
157.10139	19.6
159.11682	43.6
161.13326	16.9
163.11172	6.6
163.14867	5.9
165.12756	15.6
167.14412	4.6
169.10101	4.8
171.11748	13.0
173.13272	24.9
175.14792	23.8
177.12743	10.8
179.14389	6.9
183.11836	5.9
185.13313	20.3
187.14851	53.5
189.16360	10.6
193.15924	30.9
199.14810	12.8
201.16454	10.6
203.17851	5.0
211.14938	6.6
211.16920	5.9
213.00784	4.5
213.16386	28.4
215.17989	16.9
227.17934	33.8
228.18738	6.0
229.19540	29.4
231.17433	7.2
238.20512	4.0
241.19424	6.7
245.19057	36.8
253.19482	7.6
255.21149	6.8
257.22696	8.5
273.22012	10.5
275.23740	7.7
278.66733	5.6
297.22592	5.0
299.23425	4.4
341.28531	6.3
349.28885	7.9
352.14716	4.6
357.31534	6.5
367.29996	69.2
385.30972	100.0
421.34665	30.6
439.35730	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45219	5.7
55.05516	16.4
57.07065	7.1
65.55627	6.4
67.05497	34.4
69.07081	31.4
70.30895	6.1
71.04977	33.8
79.05489	27.5
81.07061	69.9
83.08619	15.2
85.06525	9.0
88.97367	6.4
91.05467	24.2
93.07047	62.6
95.04977	8.9
95.08604	72.9
97.06541	7.6
97.10146	7.0
99.08081	33.2
105.07040	43.1
107.08598	99.2
109.10168	100.0
116.42576	8.0
119.08580	54.5
121.10147	65.4
123.08064	12.7
123.11700	38.1
125.09629	25.6
127.11221	72.9
131.08592	16.8
133.10147	42.5
135.11691	44.3
143.08545	11.8
143.10674	11.6
145.10097	26.2
147.11702	28.1
149.13243	17.9
152.47783	7.2
152.53542	6.9
157.10135	28.0
159.11710	35.9
161.13258	22.5
163.14786	7.2
165.12706	7.8
169.10214	13.9
171.11682	28.1
173.13254	37.5
175.14819	46.8
177.16420	9.8
183.11696	24.1
185.13283	25.8
187.14862	23.9
189.12720	12.3
189.16403	8.9
193.15906	33.1
199.14813	23.8
201.16299	12.2
209.13435	9.9
211.14828	14.0
213.16359	30.3
215.17996	7.6
223.14806	7.8
225.16333	32.5
227.17979	24.6
231.17526	6.9
241.19525	10.7
245.19026	48.5
253.19540	8.6
267.20950	11.9
271.20673	6.7
279.21140	12.9
281.22635	28.4
295.24225	9.7
297.21893	8.1
299.23654	49.0
323.27451	7.4
335.27365	12.0
341.28238	9.6
351.26840	13.8
353.28354	14.3
367.29883	15.4
372.53894	7.2
403.33627	8.9
421.34692	72.5
439.35767	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	474.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01863	1.3
55.05507	2.5
55.61587	0.4
56.31725	0.4
57.03417	0.9
57.07070	0.5
61.02908	0.4
65.03924	0.7
67.05502	3.3
67.71519	0.4
68.99778	0.7
69.03437	4.8
69.07051	1.7
70.06597	0.8
71.04974	1.3
71.12469	1.0
79.05491	4.1
81.03419	2.6
81.07059	3.5
83.04968	0.9
83.08639	0.5
85.02901	8.0
86.06067	2.7
86.09679	0.7
87.00821	3.1
87.42762	0.4
90.68078	0.4
91.05480	11.5
93.07040	4.6
95.04969	1.0
95.08592	1.9
96.08110	0.7
97.02897	2.6
97.06519	0.4
98.09671	0.9
99.04452	1.7
103.05466	1.1
105.01855	2.7
105.07027	17.1
107.08591	4.5
109.02887	2.2
109.06514	1.0
109.10162	0.7
110.10503	0.4
115.05453	1.7
116.06219	1.9
116.10735	4.9
117.07014	5.5
119.08582	22.1
121.06494	0.4
121.10139	5.9
123.08051	1.1
125.09657	0.5
126.09225	0.5
127.03906	5.3
128.04268	0.5
128.06210	2.0
129.07002	7.1
130.07799	3.0
131.08565	29.6
133.10123	5.8
135.08026	1.9
135.11658	0.5
137.05972	0.7
137.09647	0.5
141.07083	0.7
142.07771	0.9
142.08727	0.9
143.08563	18.8
144.09351	4.4
145.04980	1.9
145.10115	16.1
147.07980	0.7
147.11694	19.2
148.11969	0.8
149.09633	0.7
149.13248	0.9
156.09319	1.0
157.10144	1.3
158.10905	16.5
159.02910	1.2
165.09137	0.6
165.12750	0.9
166.13104	0.7
167.10735	0.7
171.11670	1.1
173.13261	100.0
174.13594	0.7
175.07500	0.6
175.14803	2.1
187.10989	0.5
191.10550	1.0
191.14308	13.7
207.13809	1.8
208.14221	2.2
209.15370	1.2
219.11264	1.0
231.04932	1.2
249.06007	0.6
324.21588	0.6
342.22818	2.6
360.23911	5.2
456.29050	0.5
474.21509	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3991
Annotation	Karavilagenin B
Peak:m/z	Relative Intensity
55.05511	12.3
57.07087	5.6
57.81301	0.8
60.41534	1.0
63.18792	0.8
67.05512	6.2
69.06793	0.9
69.07073	10.5
69.24380	8.8
71.04990	1.1
79.05491	5.1
81.07060	26.6
83.04967	4.0
83.08621	14.6
87.08134	1.1
88.97363	0.9
91.05482	4.2
93.07043	7.4
95.08614	17.2
97.06525	1.1
97.10181	7.5
99.08126	1.0
105.07054	7.9
107.08600	12.9
109.10166	14.4
111.11758	0.9
117.07053	0.9
119.08585	12.2
119.96227	0.9
121.10144	12.6
123.08109	1.6
123.11710	100.0
125.09649	1.5
127.11213	1.2
131.08574	3.3
133.10144	10.9
135.11687	7.3
137.09595	1.3
137.13261	5.4
141.12744	52.4
143.08621	1.4
145.10118	4.0
147.11684	12.3
149.09608	2.1
149.13248	4.1
150.09973	1.0
151.11186	1.2
157.10210	1.1
159.11691	4.6
161.13274	6.0
163.11189	4.0
163.14830	2.7
171.11688	1.1
173.13257	3.8
175.14815	4.8
177.12756	4.1
177.16402	2.9
185.13222	2.0
187.14853	2.9
189.16379	2.4
191.14267	1.6
191.17989	1.4
201.16327	2.6
203.17877	1.7
205.15892	4.0
215.17908	3.5
217.19531	2.2
225.16409	1.3
231.21063	2.8
233.18982	6.6
259.20602	2.4
285.22046	1.2
285.25638	1.3
299.27286	1.1
313.25238	3.4
329.28351	1.2
353.28397	13.9
354.28769	0.9
361.20279	1.0
362.18570	1.7
367.29913	2.2
418.24747	0.9
437.37784	28.4
438.34299	1.7
455.38901	60.8
473.34628	2.7
473.40518	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.363
Annotation	Alisol B
Peak:m/z	Relative Intensity
53.03935	3.0
55.05510	13.2
57.07072	4.0
57.40448	2.5
59.04983	4.0
63.54552	2.4
67.05502	15.8
67.32361	2.4
69.03478	2.8
69.07080	13.1
71.05004	17.6
71.08627	3.2
71.55390	2.7
78.05154	2.4
79.05504	9.7
81.07060	23.3
83.08636	6.8
85.06525	4.0
91.05503	10.9
92.05831	2.5
93.07057	26.4
95.04992	3.8
95.08618	35.8
97.06544	7.4
97.22505	2.3
98.14463	2.5
99.08097	4.4
105.07027	21.7
107.08606	50.5
109.06535	11.6
109.10159	37.5
111.08099	28.7
111.11729	2.9
115.07584	3.3
117.07055	4.1
119.08587	39.3
119.09354	3.2
121.10146	29.9
123.08116	10.7
123.11739	18.2
123.30682	2.7
125.09653	5.4
129.07063	4.5
131.08580	12.9
133.10152	34.3
135.11705	29.8
137.13312	6.5
139.07523	14.7
141.09085	11.3
142.55698	2.2
143.08630	7.0
145.10141	25.8
147.11691	13.5
149.13274	10.5
155.08627	2.3
156.09401	2.7
157.10120	18.1
158.10886	3.6
159.11710	33.0
161.13293	19.9
163.14867	8.9
165.12857	2.9
169.10136	5.1
171.11685	13.3
173.13292	19.4
175.11246	2.4
175.14859	15.3
177.12769	2.7
177.16449	5.4
183.11749	7.6
185.13329	15.4
187.14851	26.7
187.51349	2.6
189.16428	15.4
191.17937	2.8
193.12289	2.9
197.13274	9.1
198.88664	2.4
199.14883	10.9
201.16399	27.2
203.18091	7.1
205.16008	4.2
209.13251	3.1
211.13287	36.6
211.14957	4.6
213.16420	17.1
215.18073	9.1
217.16023	4.0
223.14844	6.0
225.16377	7.2
227.17999	13.5
228.18782	3.2
229.19626	7.8
231.17462	3.3
231.21162	7.0
237.16550	5.4
239.18004	8.3
241.19409	13.7
243.21072	3.4
251.17902	2.8
253.19623	6.4
255.21176	4.9
257.22748	2.8
259.20721	4.0
264.01410	2.7
267.21182	3.8
281.22559	2.7
283.20721	4.3
295.24164	19.2
297.25806	16.7
313.25308	8.5
323.27383	11.3
325.28998	2.4
335.27444	5.2
341.28540	8.9
347.27457	4.6
353.28409	25.9
365.28284	16.3
371.29550	11.7
383.29468	18.6
419.32956	13.9
437.34103	28.1
438.96616	2.7
455.35126	36.4
473.36295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.363
Annotation	Alisol B
Peak:m/z	Relative Intensity
55.05513	9.7
56.02241	2.6
57.07089	3.5
59.05009	2.8
59.33807	2.4
67.05505	19.5
69.03425	3.7
69.07073	12.0
69.46316	20.4
71.04995	15.5
73.06586	4.3
78.01207	2.7
79.05500	15.9
81.07058	26.9
83.08630	10.5
85.06554	9.2
91.05506	11.8
93.07057	28.1
95.04974	4.1
95.08615	40.2
97.06547	9.0
97.10197	3.5
98.20783	6.4
105.07052	22.7
107.08607	42.9
109.06543	10.4
109.10165	37.3
111.08092	29.9
111.11720	3.9
113.06030	9.2
117.03459	3.0
117.07058	4.6
119.08586	34.6
121.10149	30.9
123.08109	7.8
123.11725	12.3
125.09556	6.0
131.07071	5.8
131.08604	13.6
133.10146	31.9
135.11696	29.0
137.09714	3.1
137.13315	7.9
137.85692	2.6
139.07539	26.5
141.09129	9.4
143.08594	9.2
145.02876	6.8
145.10104	25.3
147.11652	15.4
149.13312	9.0
157.10172	13.0
159.11726	28.4
161.09615	2.9
161.13277	22.1
163.14870	6.9
169.10149	8.8
170.11086	2.9
171.11778	14.5
173.13231	20.2
175.14874	20.4
177.05495	9.3
183.11751	7.1
185.13190	13.0
187.14825	25.1
189.16393	19.3
193.12216	3.3
197.13258	7.9
199.14854	15.5
201.16423	24.9
203.18077	4.7
205.12343	7.2
205.15913	6.5
211.13235	35.8
211.14687	5.1
213.16429	12.9
215.17986	7.2
225.16496	10.0
227.18005	11.5
229.19580	8.8
231.21193	3.6
233.18979	2.9
239.18082	9.6
241.19588	12.1
251.17772	3.5
253.19455	3.0
255.21201	7.2
259.20535	3.6
267.21201	5.2
277.19727	3.1
293.22705	3.4
295.24155	12.9
297.25800	32.4
297.65909	2.6
313.25027	12.8
315.26840	3.5
323.27322	11.1
325.28964	5.3
335.27084	3.5
337.29028	3.5
341.28482	11.6
347.27536	3.1
353.28464	23.1
365.28506	21.3
371.29529	8.1
383.29407	41.5
387.16272	3.3
401.30762	4.2
416.16617	4.6
417.20996	4.8
419.33249	7.5
437.34140	27.6
445.20331	7.3
455.35129	34.4
473.19046	23.9
473.36230	100.0
474.20609	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	473.3628
Annotation	Incanilin
Peak:m/z	Relative Intensity
51.41249	5.1
53.03943	6.1
55.05515	37.1
55.48969	5.2
57.07060	13.9
59.04984	18.5
61.02912	7.4
67.05509	35.7
69.03423	8.2
69.07083	35.3
70.72648	11.1
71.04988	18.3
74.09718	6.9
79.05473	27.9
81.07062	60.0
83.04985	15.1
83.08587	15.1
83.63749	4.9
85.06525	29.1
91.05482	32.0
93.07051	48.2
95.04959	9.1
95.08607	85.8
96.66653	5.3
97.06535	12.4
97.10161	15.1
99.08082	19.7
104.86593	6.0
105.07031	54.4
107.08602	75.4
109.06522	18.5
109.10162	60.5
111.08070	12.3
113.05972	7.3
113.09687	8.2
117.07024	11.7
119.08563	46.8
121.10131	68.5
123.08065	20.8
123.11715	18.5
125.09638	64.9
127.11216	11.0
127.82752	6.2
131.07043	8.4
131.08554	21.5
133.10141	49.0
135.11699	32.5
136.12897	6.1
137.09579	12.3
137.13213	13.0
139.11192	12.6
143.08560	24.0
143.10643	7.3
145.10162	47.7
147.11688	48.7
149.09650	7.9
149.13228	16.1
151.11176	11.4
157.10114	20.2
159.11713	39.5
161.13251	24.8
163.11133	11.2
163.14803	7.6
169.10161	15.5
170.10930	6.1
171.11685	29.1
173.13269	30.9
175.11110	6.5
175.14824	11.3
177.12703	10.0
177.60570	6.1
181.12256	16.4
183.11708	20.0
185.13261	21.7
187.14786	25.5
189.16417	17.9
191.14413	9.6
197.13367	11.2
197.15184	6.7
199.14832	16.1
201.16403	20.4
211.15041	6.1
213.16348	23.5
215.17908	7.8
225.16573	7.3
227.17899	28.1
227.20056	13.5
229.19521	13.8
231.17484	17.5
239.17929	7.8
241.19559	26.2
243.17291	5.9
245.19006	41.3
257.18994	62.0
259.20514	16.1
269.18906	6.8
269.22321	5.5
271.20578	10.5
285.22113	11.0
297.25714	11.7
313.25348	8.8
325.25244	11.9
329.24808	7.3
339.26920	11.1
364.26337	6.0
365.28384	69.1
383.29477	100.0
397.30807	8.9
419.33194	10.5
437.34149	26.9
455.35199	33.0
473.36157	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	473.3629
Annotation	Alisol B
Peak:m/z	Relative Intensity
55.05515	34.7
57.03414	8.7
57.07074	8.8
59.04991	22.2
63.81080	5.7
67.05518	42.0
69.03410	14.3
69.07062	35.0
71.04987	20.8
73.06538	7.9
74.09691	8.0
76.22455	5.7
77.58237	4.6
79.05496	29.4
81.07064	42.0
83.04974	11.2
83.08618	19.8
85.06552	26.3
91.05479	27.5
93.07050	49.4
95.04976	10.5
95.08057	7.6
95.08614	100.0
97.06512	19.2
97.10155	15.5
99.08087	16.8
105.07047	49.2
107.08592	65.9
109.06528	11.5
109.10147	54.8
111.08057	8.9
113.06027	14.9
117.07017	7.0
119.08600	66.9
120.44708	5.3
121.10145	75.8
123.08072	15.0
123.11705	23.9
125.09632	59.6
129.07037	6.5
131.07036	17.5
131.08585	23.7
133.10146	48.6
135.11693	34.9
137.09583	8.8
137.13330	5.6
139.11174	14.1
141.09042	7.5
143.08565	17.0
145.10115	35.6
147.11691	40.0
149.09639	8.9
149.13327	11.4
151.11139	8.5
153.12718	6.4
157.10112	33.2
159.11694	49.9
161.09587	6.0
161.13248	22.0
162.34096	5.4
163.11162	9.2
163.14801	6.3
165.12733	12.0
167.08440	6.7
169.10133	10.3
170.10747	5.7
171.11676	32.0
173.09668	5.8
173.13348	33.7
175.14807	16.0
177.12717	8.1
181.12238	13.3
183.11688	13.0
185.13235	27.8
187.11125	6.4
187.14790	24.6
189.12814	6.4
189.16405	21.4
191.14348	6.4
197.13403	6.2
197.15337	8.6
198.14064	5.7
199.13266	8.9
199.14871	11.9
201.16389	26.9
203.14388	8.5
203.17984	13.1
211.14864	9.4
213.16420	24.8
215.18001	14.2
219.17311	6.1
227.17891	18.2
227.19969	9.5
229.19447	7.4
231.17343	17.5
239.17871	7.5
241.19485	23.9
245.19049	37.0
250.38815	5.3
257.19022	59.9
259.20602	15.6
267.21149	7.1
271.20407	7.0
285.22244	7.2
295.20981	7.2
297.22598	5.8
297.25809	13.1
311.23373	7.2
325.25284	10.8
339.26797	15.9
347.27344	6.4
355.29962	7.1
365.28369	83.3
383.29556	94.0
419.33240	16.2
437.34036	20.2
455.35440	43.9
473.35721	20.0
499.89612	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	473.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.8
55.01878	5.5
55.05510	24.4
59.05004	5.3
65.03926	6.0
67.05505	36.3
69.03441	27.7
69.07074	23.8
71.04990	6.1
71.55676	7.6
79.05503	41.8
81.03438	23.7
81.07064	66.8
83.04983	14.9
83.08642	11.4
85.06535	6.6
91.05482	49.8
93.07044	70.6
95.04969	21.6
95.08619	60.1
97.06538	55.6
99.08027	6.1
101.06024	18.5
103.05465	7.7
105.03409	6.4
105.07044	64.2
107.04980	7.0
107.08613	70.3
109.06522	19.4
109.09503	7.4
109.10137	33.9
111.08091	8.6
113.06009	8.7
117.07046	26.7
119.08595	94.7
121.06545	10.2
121.10155	57.0
123.08065	13.5
123.11694	14.3
128.06232	9.3
129.07019	18.7
131.08563	63.7
133.06525	6.1
133.10138	65.6
135.08078	15.9
135.11711	16.2
139.07574	25.8
141.06984	10.6
142.07794	17.0
143.08566	43.0
145.10138	77.5
147.08089	17.7
147.11679	37.1
155.07161	6.3
155.08577	20.0
156.09373	14.1
157.10156	66.2
157.39056	5.3
159.08064	11.0
159.11711	53.3
161.09642	21.5
161.13289	14.5
163.07635	5.3
163.11237	6.5
165.09224	9.3
167.08592	7.2
169.10104	39.7
170.10956	14.7
171.08139	9.4
171.11702	86.1
173.09642	8.7
173.13281	44.7
175.11108	6.0
175.14900	7.6
176.43588	5.7
177.09183	6.8
179.08539	5.7
179.10622	7.6
180.09424	6.2
181.10133	22.7
182.10947	9.5
183.11708	39.8
185.09627	12.6
185.13248	48.2
187.11192	8.7
187.14877	22.3
189.09227	6.2
189.12839	7.6
191.10728	14.7
193.10242	12.9
193.12291	12.1
194.11006	5.9
195.11766	31.2
197.09653	6.2
197.13303	40.0
199.09613	11.5
199.11238	10.9
199.14854	27.8
200.15147	5.9
201.12851	11.6
203.10683	12.6
207.11833	10.4
207.13792	11.0
208.12459	6.8
209.09740	5.5
209.13306	27.6
210.13997	7.7
211.14917	27.5
213.12811	13.2
213.16388	16.5
215.14241	6.1
217.12329	12.9
219.13773	14.1
221.13303	15.1
221.15274	5.5
222.14040	5.6
223.11346	5.7
223.14859	22.2
225.12834	6.1
225.16447	17.8
227.17886	10.8
228.47968	5.2
229.12325	7.5
231.13817	15.8
233.13371	9.2
233.15395	11.4
235.14972	9.4
237.16490	14.6
239.14182	7.6
239.17883	14.0
243.13667	7.8
245.15422	23.4
245.32768	5.7
247.17081	7.9
249.16333	13.7
251.17986	17.6
259.17102	6.0
265.19534	11.2
269.19089	8.1
281.19147	5.5
287.20071	20.2
293.19040	10.6
297.18655	9.0
301.21979	7.0
313.18182	5.4
325.21667	8.4
327.23221	15.3
337.17911	6.3
341.21075	9.8
343.09579	5.4
353.21176	8.7
355.18866	5.9
359.23737	8.5
369.24484	9.1
377.24802	18.1
381.24478	9.6
395.25974	27.3
399.25540	8.7
409.27502	7.0
413.26822	14.8
419.25748	12.4
423.25357	12.7
425.26831	7.7
437.26797	19.8
443.27917	10.2
455.21112	7.6
455.27927	100.0
473.22382	14.0
473.29285	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	473.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.0
55.01883	3.7
55.05516	15.0
57.03433	4.4
59.99928	2.8
62.28775	2.7
67.05513	21.7
69.03436	35.2
69.07065	15.8
69.49347	22.9
70.06597	6.0
71.05000	8.9
72.08138	2.8
73.02928	4.9
76.06596	2.9
76.72407	3.1
79.05496	22.5
81.03422	14.1
81.07066	34.0
83.04977	12.4
83.08588	4.6
85.02901	15.5
85.06535	5.9
87.04472	9.4
91.05486	40.1
93.07059	31.2
95.04975	14.8
95.08624	29.6
97.02904	8.1
97.06509	18.8
99.04469	18.8
103.05479	3.9
105.07040	100.0
107.04968	4.7
107.08597	29.0
109.02876	6.8
109.06538	41.8
109.10153	18.7
111.04491	4.3
111.08070	7.9
113.05968	6.0
115.05444	5.1
117.07014	13.9
119.04915	4.6
119.08595	50.4
121.06491	13.5
121.10141	21.4
123.08070	17.8
123.11741	6.2
125.05990	5.4
125.09641	5.5
127.03914	10.5
127.07593	3.4
128.06242	9.3
129.06998	16.0
130.07799	4.4
131.08575	34.8
133.06503	12.7
133.10143	78.7
135.08041	10.3
135.11745	3.9
136.06160	3.9
137.06041	7.7
137.09595	13.3
139.07567	9.4
141.06981	13.3
142.07796	11.1
143.08569	38.9
145.06465	5.1
145.10141	36.7
147.08057	10.6
147.11691	12.3
149.05975	4.7
149.09622	9.7
151.07536	8.7
151.11183	3.9
152.53816	3.5
154.07774	4.3
155.08559	21.5
156.09343	9.7
157.10146	36.3
159.08046	12.4
159.11687	17.7
161.09625	52.2
161.13274	5.2
163.07536	7.9
163.11205	24.4
165.06973	4.2
165.09116	14.1
167.07115	5.0
167.08534	11.5
168.09296	7.2
169.10112	28.5
170.10902	4.5
171.08047	6.7
171.11734	35.8
173.09634	12.1
173.13293	9.8
175.07692	4.0
175.11258	10.5
177.09117	8.4
177.21469	3.1
179.07219	3.6
179.08612	13.5
179.10689	25.4
180.09253	5.9
181.08649	4.7
181.10114	25.0
182.10916	12.7
183.08160	6.1
183.11705	34.1
185.09642	8.4
185.13252	14.0
187.07478	3.5
187.11183	10.3
189.09135	33.1
189.12726	6.4
191.10727	6.4
192.09372	8.4
193.10098	18.1
194.10881	7.6
195.10143	5.6
195.11699	34.2
196.12428	4.8
197.09637	9.7
197.13312	19.4
199.11157	12.2
199.14890	4.1
201.09166	3.8
201.12560	6.7
203.08641	3.5
203.10646	7.2
204.09294	3.4
205.10159	10.5
205.12166	5.7
206.10939	8.9
207.10002	17.8
207.11935	23.7
208.12459	6.4
209.09683	5.0
209.13269	32.7
211.11166	8.0
211.14806	10.4
213.12723	12.7
215.10638	5.5
217.10196	5.9
217.12231	6.6
218.10956	5.0
219.11717	15.1
220.12482	7.2
221.13313	32.0
222.13991	6.6
223.11320	4.3
223.14876	24.7
224.63612	3.4
225.12950	5.0
225.14900	8.2
227.14270	5.5
229.12245	11.6
231.11633	11.7
231.13892	8.2
232.12495	7.7
233.13422	22.2
234.14034	6.7
235.11203	5.4
235.14850	20.2
237.12785	7.3
237.16437	8.7
239.10719	3.8
239.14333	7.6
241.12166	8.7
241.15710	3.8
243.11740	4.5
243.13911	4.2
245.13240	10.8
246.14058	7.8
247.15013	20.5
248.15610	4.7
249.16422	9.0
253.12218	4.4
253.15923	3.9
255.13676	7.4
259.15063	7.4
261.16611	20.1
262.17325	3.5
263.14297	10.5
263.17941	13.8
265.12448	5.0
265.15970	7.6
267.13846	6.3
269.15408	8.4
272.15726	3.7
273.16681	4.8
277.19495	3.5
279.13995	7.7
279.17490	7.6
281.15402	12.1
281.18942	4.6
283.13498	3.8
283.17007	6.1
287.17908	5.5
288.18689	3.0
293.15387	4.9
297.14813	4.8
297.18335	5.4
301.19202	3.4
303.17471	7.2
305.13736	4.1
305.18954	7.4
307.16785	6.0
311.16748	3.6
319.16995	7.6
321.18597	15.4
323.15140	11.4
323.20047	21.3
325.18021	6.3
333.13419	7.6
333.18381	4.6
335.16479	4.6
337.17981	13.7
339.19595	7.3
341.21106	26.6
347.20111	4.2
349.17953	5.9
349.21716	4.0
351.14328	19.2
351.19501	9.3
355.19379	5.8
365.21185	6.3
373.21729	5.6
377.21182	10.2
391.22830	19.7
395.22101	12.9
401.21024	3.9
409.23816	15.8
413.23438	6.3
419.22168	9.4
425.23270	7.0
427.24915	7.8
437.23730	34.4
443.24118	9.2
455.24530	59.6
473.25995	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72672	2.4
53.03940	8.1
55.01877	22.8
55.05521	18.2
57.03432	4.5
57.64783	2.2
58.11665	2.1
65.03938	3.6
67.05512	38.0
69.03417	11.0
69.07051	8.3
69.24546	21.4
69.83924	2.1
71.04969	3.6
73.06538	2.6
79.05500	52.1
81.03421	71.3
81.06640	3.2
81.07059	32.0
83.04971	9.3
83.08630	12.9
91.05482	70.3
93.07042	40.5
95.04974	47.3
95.08616	27.1
97.06505	2.5
97.10139	3.0
99.08116	2.7
100.78938	2.3
103.05450	4.5
105.07034	46.2
107.04955	11.7
107.08585	24.4
109.06519	13.1
109.10167	5.1
111.08070	6.8
115.05460	7.9
116.06194	3.0
117.07030	21.3
119.04918	2.7
119.08587	57.5
121.06510	13.2
121.10175	12.0
123.08054	10.2
125.09738	2.8
128.06177	7.9
129.06032	2.6
129.07016	44.3
131.08568	37.0
133.06499	12.2
133.10136	23.6
135.08081	11.1
135.11732	2.6
137.09642	3.2
141.06982	6.7
142.07756	8.7
143.08563	24.7
145.06464	13.3
145.10120	25.8
147.08049	100.0
147.11713	23.8
149.09627	14.1
155.08524	6.3
156.09290	11.6
157.06422	3.3
157.10118	34.8
159.08061	55.7
159.11690	33.0
161.09607	29.1
161.13245	8.5
161.59743	2.5
163.07565	21.3
163.11150	3.7
165.07048	3.2
165.09140	2.7
166.07759	4.6
167.10748	3.6
168.09492	2.5
169.10115	14.5
170.10872	7.0
171.08040	8.8
171.11699	55.2
172.08832	3.4
173.05951	7.4
173.09656	23.0
173.13271	12.5
175.07564	8.1
175.11206	14.9
177.09114	3.7
179.10779	3.0
180.09384	3.3
181.10095	5.9
182.10947	3.3
183.08070	3.1
183.11702	18.1
185.09596	8.2
185.13271	29.0
187.07550	8.3
187.11214	15.8
189.09076	5.8
189.12775	6.9
191.10690	3.5
193.10258	5.2
193.12224	19.1
195.11678	7.2
197.09622	8.5
197.13260	7.9
197.79546	2.6
198.57895	2.5
199.11140	24.8
201.12714	6.6
203.10794	3.5
203.14322	3.9
205.12241	5.1
207.11824	5.3
207.13783	18.7
209.09665	2.6
209.13196	4.6
211.11154	10.8
213.12767	21.5
215.10741	4.7
217.12215	9.1
218.10936	3.2
219.13744	5.6
220.12392	2.6
223.11165	4.0
223.14838	5.1
225.12741	5.8
227.10732	3.5
229.12251	8.0
231.11790	3.4
231.13855	9.0
233.11641	4.0
233.15349	10.2
237.12761	6.9
237.16351	4.3
243.13803	5.4
245.11630	17.8
245.15431	16.3
247.13251	18.0
248.15594	2.8
249.12708	3.1
249.14845	3.3
251.14299	3.8
253.11919	3.0
259.13272	6.9
262.13535	3.0
263.16452	9.9
273.14874	11.7
275.14209	2.8
279.13776	4.0
283.10944	2.4
287.14230	3.7
289.14435	2.9
291.15988	7.9
301.15732	2.5
301.39175	2.8
315.17303	3.6
316.81760	2.6
317.18811	2.8
327.17297	3.2
329.15317	3.3
331.20386	4.7
333.18268	4.1
341.18732	3.3
345.18494	3.6
359.19968	9.8
375.19574	3.3
377.21149	3.2
387.19470	6.8
391.22571	5.3
393.20404	2.9
405.20410	7.6
407.22342	4.7
411.21689	7.4
419.22089	19.6
423.21780	6.8
437.23294	22.3
441.22736	21.8
455.24286	32.7
473.15152	2.9
473.24176	14.3
473.28766	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.5
55.05511	8.1
58.96088	1.9
61.02937	3.0
61.35913	1.8
65.03934	3.1
67.05507	17.0
68.26489	2.2
69.03413	2.7
69.07076	6.6
69.40809	11.2
74.39829	2.1
79.05492	21.0
81.07059	74.4
83.08706	2.0
88.37399	1.9
91.05482	24.9
93.06481	3.7
93.07053	66.0
95.04977	7.6
95.08611	73.9
97.02892	3.9
104.15968	2.2
104.58836	1.9
105.04621	2.1
105.07038	15.6
107.04947	5.8
107.08603	25.1
109.06525	34.2
109.10165	7.8
112.53060	2.0
115.25610	2.1
116.42902	2.1
117.07037	4.3
119.08591	30.7
121.06553	4.0
121.10152	6.9
123.08018	3.0
123.56887	2.1
128.06255	2.8
129.07024	8.2
131.08591	20.2
133.10129	24.9
135.08029	3.4
138.17001	2.2
141.06992	3.3
142.07762	10.0
143.08563	19.9
145.10118	17.1
145.92770	1.8
147.08052	5.7
147.11722	3.6
149.09619	9.2
154.07808	5.2
155.08551	12.7
156.09380	21.1
157.06561	2.5
157.10132	57.5
157.95508	2.3
159.08096	4.2
159.11705	18.9
161.09627	9.4
163.11191	4.7
165.07129	4.0
167.08568	5.2
168.09332	2.9
169.10144	35.9
170.10875	11.9
171.08096	2.6
171.11699	100.0
173.09616	14.1
173.13252	6.1
175.11249	3.0
177.09068	2.5
179.08595	7.4
180.09337	5.2
181.10107	13.7
182.10948	4.6
183.08109	3.5
183.11705	51.7
185.09666	6.9
185.13263	55.5
187.11214	7.9
189.75455	2.6
191.10658	3.9
193.10193	9.5
193.12270	2.3
194.10939	7.3
195.11722	21.0
196.12518	2.7
197.09647	7.8
197.13271	13.3
199.11224	11.1
201.12709	3.5
202.88530	2.5
205.10118	5.6
205.12250	3.7
206.10887	3.9
207.11729	14.6
208.12543	8.6
209.13264	27.0
211.11238	4.0
211.14801	6.3
213.12758	17.2
217.10202	5.0
217.12285	5.8
218.10991	4.0
219.11729	8.1
219.13676	2.9
220.12485	3.5
221.13341	15.7
222.10471	2.9
222.14067	4.4
223.11208	4.8
223.14809	16.4
225.12843	5.5
229.12259	13.1
231.11679	13.5
231.13847	16.7
232.12384	6.3
233.13295	12.4
233.15350	3.1
234.14005	4.1
235.14784	11.5
236.15648	8.9
237.12761	8.2
237.16397	9.2
239.14249	2.8
241.12230	7.6
243.13788	12.5
245.13203	6.3
245.15392	42.6
246.13953	11.1
247.14864	7.5
249.16403	16.1
250.17160	3.4
251.14418	8.4
251.17957	56.5
251.20508	4.3
255.13847	3.2
257.11725	22.3
257.14343	2.7
257.15442	2.5
259.08618	4.4
259.13315	8.6
260.15671	9.4
261.16452	31.4
262.17065	3.1
263.14395	6.4
263.17896	6.3
265.16202	4.1
265.19516	22.8
269.15399	2.4
273.14838	7.8
275.17953	25.3
278.16580	2.7
279.14233	3.9
279.17447	47.9
283.16803	3.7
291.17313	3.0
293.19000	44.9
303.17578	10.8
321.18558	28.8
323.20102	6.4
324.11472	3.2
325.21609	63.4
335.20044	20.8
339.19574	5.7
353.21124	83.6
371.21939	2.9
385.23856	3.4
413.23233	12.9
473.25479	14.6
473.35837	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.9
53.73398	1.1
55.01866	4.0
55.05502	5.2
55.28215	1.0
57.03439	7.2
57.04562	1.0
61.02921	2.1
67.05527	5.2
68.99787	1.2
69.03437	14.1
69.07071	3.0
69.98138	5.0
70.06590	2.3
71.05004	1.9
73.02927	2.5
79.05491	9.3
81.03419	15.3
81.07066	9.5
83.04964	1.8
83.08627	2.2
85.02903	17.8
85.06551	2.8
87.00839	9.8
91.05480	14.8
93.07040	11.0
95.04979	3.8
95.08607	7.3
97.02894	7.3
97.06545	3.5
99.04443	5.6
103.05459	1.5
105.01900	5.0
105.07034	59.2
107.04945	1.5
107.08607	14.0
109.02883	10.3
109.06534	5.3
109.10168	4.1
117.07007	4.0
119.08588	47.7
121.06512	4.7
121.10149	5.6
123.08076	15.6
123.11710	1.7
127.03926	16.5
129.01830	1.9
129.07027	1.4
131.08563	2.4
133.06514	2.6
133.10127	4.9
134.07306	1.3
135.08051	18.4
135.11682	1.5
136.06155	7.4
137.09633	2.6
143.08566	1.8
145.04955	6.0
145.10133	5.7
147.08084	2.3
147.11693	100.0
149.09607	9.3
151.07547	2.4
151.11192	5.9
153.09183	1.1
159.02917	5.5
159.08046	1.4
159.11671	1.5
161.13277	2.9
163.11183	4.3
165.12759	87.4
171.08009	1.2
177.12752	6.0
179.14308	2.3
181.12248	2.0
185.09654	2.5
189.12744	4.2
199.11220	1.7
201.09142	1.6
205.30800	1.2
207.13812	92.7
213.08975	1.9
225.14815	11.3
227.10660	3.4
228.11497	4.6
231.05037	3.2
355.48618	1.1
371.02286	1.1
437.19482	2.9
441.12732	1.2
455.20065	3.8
472.81876	7.4
473.20126	19.1
473.25766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.7
55.01867	5.8
55.05510	3.9
57.03443	3.5
62.45131	1.6
67.05511	10.2
69.03432	27.7
69.07061	3.7
70.06607	2.2
70.42247	6.2
71.04987	7.3
72.08154	3.5
73.02928	2.4
79.05498	9.2
81.03419	23.5
81.07069	8.8
83.04973	2.8
84.04497	3.1
84.08166	2.8
85.02911	38.8
85.06555	2.1
86.06081	2.6
86.09703	7.4
87.00843	15.7
91.04012	1.5
91.05487	10.0
93.07043	12.7
95.04971	12.7
95.08595	11.4
97.02911	15.6
97.06522	4.2
99.04485	14.8
105.01883	13.5
105.07034	18.6
107.04952	3.1
107.08607	13.4
109.02888	22.7
109.06534	8.0
109.10146	8.8
109.72375	1.7
117.01852	3.0
117.07072	1.9
119.08595	21.0
121.06513	4.2
121.10162	19.9
123.04447	3.7
123.08083	12.9
125.05940	2.2
127.03920	33.5
131.08557	5.3
133.06464	4.6
133.10127	6.7
135.08043	5.3
135.11705	3.8
136.92964	1.6
137.09634	22.8
145.04961	12.4
145.10165	5.7
146.62553	2.0
147.08055	5.7
147.11696	15.5
149.09619	11.3
151.07542	17.4
153.09079	3.0
155.10806	1.9
156.09309	3.4
159.02885	12.9
159.11710	2.5
161.13258	14.9
163.11224	11.2
165.12727	9.2
167.10579	1.9
171.11726	5.4
177.12767	7.1
179.14334	6.2
181.12189	2.5
188.39198	2.0
189.12761	18.4
191.14287	4.3
194.48755	1.7
195.13808	5.0
207.13809	100.0
212.92210	1.7
225.14883	36.3
231.04958	9.7
387.16406	3.8
411.23666	4.2
455.18637	2.1
473.20154	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	473.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57259	1.3
53.03946	7.2
55.01869	6.2
55.05504	5.5
57.03431	8.2
57.07072	3.0
61.02914	4.8
61.27618	1.5
67.05510	9.0
68.99773	3.5
69.03433	33.2
69.07069	5.0
70.06619	2.3
70.35365	5.1
71.01351	1.6
71.04982	6.7
72.08153	4.6
73.00587	1.3
73.02916	7.2
76.11630	1.5
79.05476	6.5
81.03425	32.8
81.07049	10.4
83.01299	1.5
83.04978	5.4
83.08622	1.6
84.08125	2.9
85.02911	59.1
85.06537	2.5
86.06084	3.2
86.09702	6.4
87.00826	23.5
87.04506	2.0
91.03999	2.3
91.05466	7.4
92.07581	1.5
93.06558	1.6
93.07041	8.7
95.04972	6.0
95.08611	12.2
97.02890	26.0
97.06528	4.7
99.04447	13.8
99.08095	2.2
105.01876	14.5
105.07025	19.0
107.04945	3.6
107.08604	12.6
108.05759	2.5
109.02885	34.1
109.06528	10.5
109.10155	8.2
111.04437	1.9
111.08113	3.9
116.07095	3.2
117.01856	3.8
119.08597	16.5
121.06493	4.8
121.10169	11.4
123.04464	3.3
123.08073	50.8
123.11732	2.6
125.06011	3.8
125.09679	2.8
127.03924	54.7
129.01830	4.6
131.08586	5.8
133.06519	4.4
133.10135	10.4
135.08064	5.4
135.11707	5.6
137.06020	2.2
137.09612	17.9
139.11201	2.2
145.04973	23.1
145.10143	7.1
147.02925	3.3
147.08061	4.1
147.11722	10.3
149.09605	9.2
149.13405	1.7
151.07549	85.5
151.11171	1.7
153.81015	1.7
156.09335	2.1
159.02904	16.4
159.11714	1.9
161.13269	8.9
163.11194	22.9
165.09132	5.6
165.12825	3.8
167.10660	2.6
171.11696	4.2
173.13274	2.1
179.14238	3.2
181.12233	7.9
189.12755	25.1
191.14307	3.9
207.13815	100.0
209.15392	4.9
213.03889	3.1
225.14853	28.4
231.04988	14.7
270.03909	1.7
289.09222	2.0
387.16089	9.4
473.19617	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	473.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31775	1.1
53.03938	3.0
53.84795	1.2
55.05513	2.0
57.03414	2.5
58.46567	1.1
60.47478	1.4
61.02925	2.5
67.05508	7.8
69.03436	19.8
69.07037	4.1
70.79168	2.4
71.04998	1.2
72.08151	1.2
73.02903	1.2
79.05491	4.5
81.03429	9.8
81.07062	9.0
83.04992	1.6
85.02913	11.6
86.06086	1.1
86.09704	2.6
87.00822	6.1
91.05483	3.6
93.07045	4.2
95.04985	5.9
95.08623	5.3
95.14754	1.1
97.02911	9.2
97.06527	3.6
99.04469	3.0
105.01865	4.0
105.07026	9.6
107.08596	5.1
109.02886	5.3
109.06531	6.5
109.10162	3.9
110.07278	1.3
111.08096	3.5
117.01807	1.3
119.08602	8.5
121.06532	1.4
121.10151	7.8
122.07292	1.1
123.04436	10.9
123.08076	8.9
125.09594	1.3
127.03925	11.1
131.08546	1.9
133.06493	2.8
133.10147	19.4
135.08086	1.9
135.29997	1.2
137.06000	2.8
137.09637	11.2
139.11171	2.7
145.04990	4.3
145.10118	2.7
147.08046	2.5
147.11737	8.4
149.09644	2.2
151.07564	14.7
151.11182	1.6
156.09352	2.8
159.02870	3.4
159.08188	1.6
159.11700	1.5
161.09579	1.6
161.13269	5.1
163.11250	6.8
165.09184	1.2
165.12762	1.5
171.11713	6.0
174.10390	2.5
177.12816	1.6
179.14369	2.3
189.12730	18.1
203.05336	5.7
207.13820	100.0
209.15414	1.1
225.14886	15.7
228.64407	1.2
231.05078	1.7
249.14690	4.0
293.13440	1.8
311.14685	11.5
342.01480	1.2
387.16284	5.0
441.18250	1.3
473.19989	90.6
491.89673	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3475
Annotation	Kuguacin A
Peak:m/z	Relative Intensity
53.03948	4.0
55.05508	22.6
57.03435	3.7
57.07054	4.6
59.04998	3.7
67.05505	29.7
69.03429	7.3
69.07076	21.5
71.04984	10.0
71.55794	5.3
73.06517	4.2
77.91256	3.1
79.05504	29.7
81.07060	50.4
83.04987	7.6
83.08617	12.0
85.06548	5.3
91.05476	37.0
93.07047	53.1
95.01377	3.4
95.04970	5.3
95.08615	72.2
97.06562	6.9
97.10142	5.6
99.08097	11.7
105.07034	65.1
107.08607	63.4
109.06559	7.7
109.10172	38.0
111.08086	51.5
113.09643	8.8
113.42816	3.1
114.87199	3.5
117.07029	13.0
119.08587	80.7
121.06455	4.9
121.10140	53.6
123.08101	7.0
123.11731	12.9
125.09643	9.9
128.06184	5.4
129.07001	4.6
131.04955	5.1
131.08577	42.1
133.10139	68.5
135.08118	3.6
135.11696	28.8
137.09671	4.5
141.06949	3.8
142.07816	5.4
143.08563	23.5
145.09047	5.3
145.10121	55.4
147.08057	4.8
147.11694	46.7
149.09610	6.6
149.13280	33.0
151.11230	4.7
155.08575	8.2
156.09383	4.8
157.10133	34.0
158.10849	6.1
159.08098	8.3
159.11694	65.2
161.09631	8.9
161.13240	30.9
163.11177	6.1
163.14825	9.5
169.10118	18.1
170.10814	9.5
171.11667	28.3
173.13269	43.7
175.11227	4.8
175.14854	29.4
177.12650	3.7
177.16403	25.1
181.10106	10.3
183.11713	23.7
184.12485	4.0
185.13240	31.5
187.14835	39.2
189.16414	44.5
191.14299	5.2
193.10144	5.9
193.12344	3.3
195.11682	9.0
196.12498	4.0
197.13313	26.8
199.14836	33.5
201.16386	36.0
201.49454	3.6
203.14243	3.8
203.18005	18.4
205.15945	11.8
207.17429	14.2
209.13242	12.8
211.11224	3.6
211.14836	15.2
213.13150	3.4
213.16342	21.5
215.14549	5.3
215.17995	14.4
217.15971	4.5
219.17535	8.5
223.14836	11.0
225.16376	15.3
227.17961	12.3
233.15465	8.3
233.18842	4.8
235.14809	8.8
237.16412	9.9
239.17987	16.1
241.19548	5.3
245.15343	5.3
245.19043	10.1
247.17070	7.1
249.16379	6.3
251.18013	6.2
253.19626	16.9
255.21210	11.6
257.15433	4.3
257.19147	5.3
267.20856	5.3
279.21008	7.8
280.21680	4.0
283.24222	14.5
291.21182	3.7
293.22644	12.1
294.23459	8.3
295.21301	4.5
295.24228	29.4
311.23749	7.8
313.25189	41.8
319.85168	3.5
321.25897	4.5
337.25266	4.8
339.26459	3.9
356.07800	3.4
363.26801	9.8
381.27887	29.4
393.20023	3.6
393.28027	6.9
395.29083	5.4
395.33566	5.4
407.32996	22.6
411.29077	4.8
413.30414	7.9
417.31436	6.8
417.78751	3.8
423.32410	10.8
425.34039	11.3
435.32556	50.3
441.33615	28.1
453.23010	4.4
453.33670	100.0
471.34793	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	471.3473
Annotation	Dyvariabilin D
Peak:m/z	Relative Intensity
53.03959	5.6
55.05512	31.6
56.96260	5.1
57.07083	6.0
59.04989	16.0
67.05504	41.1
69.03416	7.1
69.07057	22.2
71.04995	30.5
71.55501	7.6
73.06569	12.2
79.05480	25.4
81.03446	7.2
81.07057	52.3
83.04977	27.9
83.08618	13.2
85.06541	32.3
91.05476	26.4
93.07040	54.9
95.04964	13.8
95.08612	70.2
97.06525	12.5
97.10168	6.3
97.28159	4.7
99.08091	10.8
101.05938	6.2
105.03413	8.6
105.07047	48.6
107.08603	52.3
109.06516	25.0
109.10175	52.6
110.67630	5.3
111.08088	15.8
113.06023	19.6
117.07021	7.3
119.04906	5.4
119.08587	77.4
121.10162	60.3
123.08068	21.7
123.11722	27.8
125.09631	23.4
128.06180	5.3
131.07071	13.1
131.08603	34.9
133.10139	63.0
135.08055	9.3
135.11684	33.0
137.09612	18.6
137.13275	5.5
139.11192	5.7
141.09114	8.0
143.08582	28.4
145.10129	46.6
147.08083	8.3
147.11699	29.6
149.09605	15.4
149.13269	20.7
151.11200	12.9
155.08546	13.3
156.09346	12.0
157.10135	32.9
159.08038	9.9
159.11693	50.8
161.09637	14.6
161.13274	21.7
163.11198	10.6
165.12759	17.4
168.09276	4.5
169.10153	22.8
169.12299	8.7
170.11032	5.3
171.10339	7.7
171.11697	38.9
173.11996	6.1
173.13223	31.7
175.11201	7.0
175.14864	16.5
177.12764	15.0
181.10184	7.0
181.12187	8.7
183.11696	23.1
185.09587	5.3
185.13252	35.1
187.14854	35.2
189.12784	5.8
189.16400	12.3
191.14259	6.3
193.10085	4.7
195.11752	12.9
197.13272	23.3
199.14815	18.6
201.12704	6.7
201.16418	15.8
203.14296	12.9
205.15897	9.3
207.11635	8.6
209.13307	13.6
210.14011	5.7
211.14882	13.3
213.12784	9.2
213.16393	14.2
215.14354	9.9
215.18015	13.7
217.15935	5.4
219.17442	7.3
221.13310	7.9
223.14835	14.0
225.16409	15.4
227.17899	10.6
229.15781	5.7
231.13800	7.4
231.17455	7.3
237.16443	8.7
239.17966	7.6
243.17595	13.5
245.19133	5.7
253.19522	10.4
255.21147	6.3
257.19113	14.5
259.20874	6.1
263.17859	7.1
265.19528	9.4
267.17639	5.8
271.20483	9.9
277.19437	5.3
279.21054	5.5
283.20517	7.6
293.18674	6.7
293.22812	5.6
297.22250	9.4
299.23843	15.7
309.22363	11.6
309.25671	6.1
311.23691	37.0
313.25235	35.8
314.16193	5.0
323.23773	9.0
323.27234	5.9
327.23300	5.8
337.25238	8.2
339.26880	24.3
341.28284	12.7
343.20700	6.8
351.26672	21.8
353.28360	41.0
363.26828	16.4
365.28647	6.1
369.27872	21.7
375.23148	15.5
381.23187	8.3
381.27878	100.0
393.24261	19.6
399.28793	11.9
435.32758	41.7
453.33728	73.2
471.27905	11.8
471.34689	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.347
Annotation	Garcihombronane F
Peak:m/z	Relative Intensity
53.55896	2.5
55.05313	2.7
55.05514	29.9
57.03421	8.4
57.03679	2.7
57.07068	9.4
59.05019	2.7
67.05175	3.6
67.05505	48.3
69.03413	5.2
69.07071	31.9
70.14291	9.2
70.14668	4.5
71.04995	36.9
72.22448	2.5
73.06561	2.4
79.05499	20.0
81.07059	59.0
83.04971	12.3
83.08619	19.7
83.75462	2.6
85.06523	9.4
91.05474	13.0
92.31917	3.4
93.07049	24.5
95.04966	5.4
95.08604	52.8
97.06553	12.5
97.10165	11.6
99.08083	8.6
105.07024	25.7
107.08601	40.6
109.06518	6.6
109.10159	36.5
111.08053	8.2
113.06027	6.8
113.09647	3.0
114.79430	2.3
117.07027	4.1
119.08588	41.1
121.10153	31.2
123.08050	10.8
123.11720	19.0
125.09630	9.2
127.11227	3.5
128.06186	3.5
129.07018	3.8
131.07053	15.5
131.08560	14.5
133.10124	36.7
134.98187	100.0
135.08020	2.7
135.11674	21.6
135.16916	2.3
137.09613	5.7
137.13263	4.5
139.07523	3.5
139.11143	4.1
141.09137	3.2
143.08545	7.5
145.10150	24.7
147.11665	19.4
149.09616	4.8
149.13248	8.1
151.11148	6.2
155.08684	2.7
157.10126	18.2
159.11705	25.9
161.09665	4.8
161.13248	18.4
163.11143	4.7
163.14859	5.9
165.12820	5.5
169.10107	6.8
171.11690	14.8
173.13249	20.7
175.11282	3.3
175.14839	15.1
177.05457	3.2
177.12750	6.2
179.14235	4.3
181.12199	3.9
182.10818	3.4
183.11662	11.5
185.13229	13.6
186.14027	2.6
187.14812	19.4
189.12733	4.7
189.16377	5.6
191.14276	5.7
195.11684	3.4
197.13266	9.3
199.14810	10.8
201.16380	15.0
203.14333	6.1
203.59644	2.6
205.15839	2.9
209.13271	4.8
210.13814	2.4
211.14874	6.0
213.16357	13.0
215.17967	7.1
217.15804	4.4
223.14760	5.9
225.16388	7.2
227.17926	10.5
229.15916	4.0
231.17404	5.4
237.16365	2.8
239.17926	6.9
241.19518	3.6
243.17458	5.2
245.19058	7.1
249.16225	2.9
251.17982	4.6
253.19458	5.3
255.17490	2.6
255.21178	5.1
257.18961	9.7
265.19452	5.3
267.21030	4.7
271.20395	5.7
277.19516	2.9
283.20520	4.8
295.24280	9.5
297.22110	4.4
309.22208	5.9
311.23734	22.5
313.25259	39.4
327.23148	3.5
335.27432	4.2
337.27481	36.2
339.26697	9.3
341.28442	8.2
351.26831	13.4
353.24646	4.1
353.28433	27.2
359.25568	18.2
363.26633	7.3
369.27832	8.6
374.31918	3.1
381.27823	18.0
399.28879	4.4
407.32852	6.1
425.34250	6.0
435.32724	27.5
453.33652	42.8
471.24854	80.4
471.34726	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	471.347
Annotation	Pinicolic acid E
Peak:m/z	Relative Intensity
51.70966	1.5
53.03934	2.3
53.77349	1.5
55.05512	14.5
57.07067	4.7
65.03909	1.6
67.05510	17.0
69.03452	2.3
69.07063	20.1
70.68185	5.0
70.81879	1.5
71.04962	3.8
73.06519	2.0
74.46729	1.4
77.03920	1.9
79.05499	12.6
81.07055	34.1
83.04973	2.0
83.08624	10.0
85.06533	2.7
91.05482	16.9
93.07046	29.6
95.04945	3.7
95.07972	2.4
95.08603	44.9
97.06515	5.2
97.10156	2.6
99.08072	2.0
105.07034	27.9
107.08595	41.6
109.06522	2.9
109.10155	35.7
111.08086	7.5
111.11668	2.3
113.06052	1.6
115.05446	2.2
117.06979	6.3
119.08578	35.2
121.10142	30.7
123.08070	2.5
123.11719	13.9
125.09609	2.1
127.11108	1.8
129.06999	6.2
129.09052	1.8
130.07788	2.0
131.08569	19.3
133.10126	22.8
134.98189	19.2
135.08078	1.7
135.11696	33.7
137.09601	3.5
137.13242	6.6
139.11183	1.6
143.08551	12.8
144.09383	3.1
145.10121	27.1
147.11690	18.1
149.13269	9.2
149.14229	1.5
155.08574	2.6
155.10646	3.0
157.10127	18.5
159.10466	3.0
159.11703	41.1
161.09627	1.8
161.13252	25.7
163.14792	7.7
167.10625	2.0
169.10123	3.7
170.10892	1.7
171.11725	19.2
173.13271	26.6
175.14819	14.7
177.12709	6.4
177.16370	2.9
183.11668	7.2
185.13248	18.0
186.14015	3.8
187.14832	25.8
189.16350	4.5
191.14211	2.6
197.13284	9.1
198.95390	1.8
199.14821	16.5
200.15474	2.3
201.16391	13.4
203.14287	2.2
203.17902	5.2
205.15837	2.0
209.13272	4.2
211.14804	7.1
213.16415	15.4
214.16960	2.3
215.17995	8.4
217.19501	2.4
221.13199	2.1
223.14798	2.5
225.16389	7.0
227.18013	12.7
229.19508	35.9
239.17975	5.4
241.19524	15.8
243.21147	1.8
245.18922	3.5
247.20567	3.5
251.17940	2.3
253.19444	4.3
255.21036	11.0
257.18875	3.1
267.20972	2.7
269.19208	2.1
269.22647	5.8
271.20486	2.2
279.21036	3.3
281.22711	2.5
285.22141	2.3
293.22736	2.8
295.24139	16.8
297.22098	2.4
297.25595	2.5
309.22504	1.7
309.25742	9.0
311.23572	5.8
313.25266	12.4
323.27286	4.6
329.24811	3.8
335.27362	3.6
337.27194	6.3
343.15759	1.7
351.26599	1.7
353.28250	6.6
359.25320	1.7
365.32159	4.3
381.27893	4.6
389.31918	3.8
399.29013	6.2
407.33069	18.3
417.30930	2.2
425.34140	35.2
435.32306	7.1
443.35178	2.3
453.33591	21.3
471.24689	26.0
471.34552	100.0
472.34906	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	471.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.1
57.07086	2.7
57.21517	1.9
67.05499	10.0
69.07063	13.7
79.05489	7.8
81.07063	13.6
83.08635	5.2
91.05482	12.8
93.07063	24.9
95.08627	19.9
97.06548	2.6
97.10154	4.0
98.20715	4.8
105.07034	18.1
107.08601	16.9
109.09503	2.9
109.10147	15.9
111.08072	2.8
111.11691	2.2
113.40514	2.1
117.07060	4.3
119.08584	27.1
121.06506	2.7
121.10158	11.5
123.08066	2.8
123.11682	5.0
125.09645	2.9
129.06989	3.4
131.08597	16.0
133.10147	20.2
134.98184	2.2
135.11720	5.9
137.09633	3.2
143.08585	9.0
145.10126	15.7
147.04378	5.6
147.11693	17.7
149.13251	2.7
151.11185	2.7
153.09079	4.6
155.08548	3.8
156.09276	2.9
157.10136	11.3
159.11705	25.3
161.13275	7.6
163.11214	2.1
163.14841	3.2
169.10185	7.1
171.11777	11.0
173.13281	22.3
175.14909	3.5
182.59515	2.2
183.11729	6.9
184.12479	2.7
185.13252	8.5
187.14868	5.2
189.12819	3.7
189.16470	3.0
197.13326	4.9
199.14830	9.1
201.12846	3.3
203.14272	2.4
211.14854	4.6
213.16318	3.6
217.15858	2.9
223.14865	6.7
225.16394	12.5
225.18472	2.7
229.15855	2.4
231.17538	2.4
233.12556	2.7
241.15955	4.0
243.17517	4.6
253.19528	2.6
257.18918	5.6
269.18961	2.7
279.21164	5.3
295.20541	9.6
297.22153	100.0
299.23727	4.3
365.48239	2.7
379.29990	5.1
393.31573	14.0
397.31323	4.8
403.29846	9.0
421.30908	34.2
453.33636	16.0
471.25067	2.8
471.28085	2.5
471.34738	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	Dymacrin A
Peak:m/z	Relative Intensity
55.05519	25.2
58.88556	2.7
61.51440	3.0
67.05506	13.0
69.07056	10.3
70.60445	8.7
79.05495	8.8
81.07059	17.4
83.04988	100.0
83.08598	6.2
85.06497	3.8
91.05471	10.7
93.07060	16.4
95.08609	25.8
97.06534	5.2
105.07077	16.7
105.07649	4.0
107.08603	25.4
107.88008	3.0
109.06524	8.7
109.10181	15.3
111.08116	3.3
117.07001	5.7
119.08595	26.0
120.83942	2.6
121.06498	3.2
121.10149	17.3
123.08057	21.3
123.11685	9.4
125.09637	6.6
131.08589	15.5
133.10168	16.7
134.98203	10.7
135.08066	3.6
135.11726	8.7
137.09663	4.4
143.08589	7.1
145.10103	17.8
147.11676	16.9
149.09636	7.6
149.13283	6.5
156.09386	3.6
157.10129	9.2
159.11716	19.8
161.09659	3.3
161.13249	12.2
169.10114	4.1
171.11684	6.8
173.13269	5.4
177.12822	3.4
183.11710	8.1
185.13162	6.7
187.14839	14.0
189.12732	3.6
189.16380	7.1
195.11624	3.3
199.14841	7.4
200.14948	3.3
201.16449	13.0
203.14253	3.7
213.16382	5.9
215.17891	2.9
225.16263	4.4
227.17987	3.8
239.17807	3.8
245.19194	4.5
257.19092	3.6
258.10239	2.9
271.20700	2.9
279.21143	3.7
293.22784	6.8
297.22070	3.4
311.23560	6.6
313.25299	5.3
339.26834	23.2
382.65555	3.5
417.31244	3.9
435.32520	18.1
453.33618	63.4
471.24887	9.2
471.34772	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	471.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
51.53558	0.4
53.03941	1.4
55.01873	1.4
55.05509	3.8
57.03439	0.8
57.07075	1.1
65.03934	1.1
67.05172	0.6
67.05506	7.5
69.03424	1.4
69.07072	3.8
69.61595	2.7
71.04994	1.2
77.03874	0.4
79.05062	0.8
79.05500	12.0
81.03421	1.3
81.07063	54.8
82.47358	0.4
83.04976	2.3
83.08627	2.0
84.16608	0.4
85.06554	1.6
91.05486	11.3
93.06473	0.9
93.07047	13.0
95.04973	2.6
95.08611	15.8
97.06563	2.1
97.10185	0.6
99.08113	0.7
103.05486	0.7
105.04541	0.5
105.07037	14.0
107.04952	1.9
107.08600	17.7
107.40923	0.4
109.06522	22.0
109.10168	9.0
111.08087	1.6
114.51589	0.4
115.05456	1.3
116.06269	0.5
117.07007	4.4
119.08585	19.1
121.06527	2.4
121.10153	11.9
123.08082	2.9
123.11730	7.3
125.09616	1.0
128.06252	1.1
129.07019	4.9
130.07806	0.5
131.08580	9.2
133.06509	1.2
133.10139	15.1
135.08055	7.6
135.11707	7.3
137.09598	1.1
137.13254	1.1
137.15939	0.4
139.07541	0.9
141.06926	1.0
142.07762	2.0
143.08569	6.3
144.09343	0.9
144.20789	0.4
145.06487	0.9
145.09044	0.7
145.10139	10.9
147.08075	5.3
147.11699	8.4
149.09622	5.6
149.13274	2.6
151.07527	1.5
151.11206	1.6
151.14833	0.5
153.06964	0.5
153.09106	1.3
153.12675	0.7
155.07254	0.6
155.08559	2.8
156.09360	2.3
157.10139	12.1
158.10925	0.9
159.08080	6.6
159.11703	15.0
159.13037	0.7
161.09647	5.1
161.13251	5.7
163.11183	3.3
163.14859	1.0
165.12726	0.5
167.08601	1.6
168.09372	0.8
169.10150	4.5
170.10905	1.4
171.08072	0.6
171.11699	10.4
173.09601	2.1
173.13274	10.1
175.11197	2.2
175.14824	5.0
177.09163	0.5
177.12779	0.8
177.16382	0.8
179.08582	1.2
179.10678	1.7
179.14250	0.5
181.10092	1.5
182.10916	0.7
183.11719	6.8
184.12560	0.8
185.09641	0.9
185.13255	7.4
186.14011	0.6
187.11230	2.5
187.14835	5.6
189.12799	1.4
189.16397	3.9
191.10693	0.6
191.14282	1.3
193.10220	1.3
193.12267	1.4
194.10986	0.6
195.11740	2.9
196.12363	0.7
197.09663	0.7
197.13280	4.3
198.14159	0.4
199.11241	1.2
199.14824	5.6
200.15529	0.8
201.12770	3.0
201.16371	4.0
203.14331	1.7
203.18001	2.0
205.15933	0.5
207.11734	1.3
208.12489	0.5
209.13289	3.3
210.14059	0.6
211.11407	0.5
211.14844	2.6
212.15501	0.5
213.12761	1.4
213.16371	3.0
215.14365	1.4
215.17964	3.9
217.12219	0.5
217.15883	0.8
217.19559	0.5
218.10878	0.5
219.11786	0.5
219.17514	0.6
220.12601	0.6
221.13292	1.6
223.14705	2.0
225.12860	0.9
225.16397	2.1
227.14333	3.9
227.17917	2.7
228.15266	0.5
228.18674	0.9
229.12270	1.1
229.15921	1.0
229.19543	5.5
231.13844	1.2
231.17438	0.8
231.21091	1.5
233.13333	0.7
233.15442	0.9
233.19084	0.9
235.14885	1.3
237.12773	0.7
237.16322	1.3
239.14293	0.7
239.17967	1.2
241.15961	1.9
241.19505	0.9
243.13812	0.5
243.21088	1.0
245.15425	2.1
245.19058	0.9
245.22711	1.6
247.14941	0.8
247.20641	1.2
249.16483	1.3
251.17973	1.5
253.15996	0.5
253.19597	0.6
255.17427	0.6
255.21088	1.7
257.11743	0.8
257.19128	0.6
259.17084	0.8
261.16513	0.6
265.19495	0.9
267.17365	0.6
267.21036	0.6
269.18985	0.5
271.20627	1.4
273.22116	3.3
275.17902	0.7
277.19510	0.5
279.17377	1.0
279.20947	0.8
281.19244	0.6
283.20395	0.6
289.21747	1.1
291.23267	1.2
293.19333	1.1
293.22635	1.8
295.20609	0.6
295.24127	1.2
296.99390	0.5
297.18613	0.5
299.20096	0.9
303.17651	0.5
305.19315	0.6
311.20221	0.6
311.23514	2.2
313.25339	1.6
315.17374	0.8
319.24115	1.0
321.18442	0.5
321.22156	0.4
321.25815	0.6
325.21774	0.8
329.24805	0.9
333.18469	0.7
335.27344	1.3
337.21802	0.4
337.25284	2.5
345.25656	0.8
353.21274	1.0
353.28357	5.4
355.26526	0.7
363.26883	5.6
369.27969	1.6
371.22302	1.5
371.29504	1.2
375.19467	0.9
381.27896	25.0
382.28134	0.7
383.29367	0.9
389.21176	0.8
399.28967	100.0
400.29419	2.0
403.18985	0.5
407.22168	1.7
417.31500	1.0
425.23471	0.8
431.70947	0.5
435.21594	1.6
435.32486	4.3
435.75754	0.5
439.21030	0.5
453.22885	1.5
453.33582	7.0
465.69684	0.5
471.24246	1.5
471.34686	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	471.3471
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
50.27774	2.2
55.05506	9.6
57.07065	2.1
67.05506	9.9
69.07075	14.5
79.05495	7.9
81.07059	14.3
83.08623	4.3
91.05485	9.2
93.07052	21.7
95.08028	3.9
95.08605	28.6
97.06516	3.5
97.10167	2.2
98.20714	3.8
101.15857	2.1
105.07025	12.1
107.08600	35.4
109.10155	16.9
117.07003	4.4
119.08579	24.8
121.06479	3.8
121.10153	24.3
123.08064	6.9
123.11683	10.9
131.08571	8.9
131.54575	2.3
133.10146	15.9
135.08084	2.5
135.11693	30.1
137.09633	8.0
137.13359	2.3
142.07748	4.3
143.08569	7.6
145.10127	17.6
147.11699	10.5
149.13281	2.7
155.08554	5.3
156.09308	3.1
157.10144	46.9
159.11696	24.1
161.13274	9.4
163.11186	3.0
164.47044	2.5
169.10103	9.9
171.11696	25.0
173.13257	11.4
175.11205	9.0
177.16376	4.6
179.14384	2.9
182.10860	2.4
183.11600	13.0
185.13313	13.9
186.14061	2.4
187.14763	9.9
189.16281	2.8
191.14192	3.0
195.11760	4.0
197.13243	9.4
198.13837	2.7
199.14861	6.7
201.16351	3.6
209.13231	6.4
211.14890	5.5
211.37146	2.2
213.16354	4.7
215.17975	3.8
223.14767	8.8
225.16380	7.3
227.17941	5.1
229.12309	2.6
237.16425	4.5
239.18031	6.4
241.19402	12.3
248.22606	2.5
249.16476	3.2
251.17963	2.9
253.19531	7.2
259.20563	12.1
263.18015	2.5
278.20294	2.7
279.21054	3.4
281.19220	2.9
293.22641	33.4
294.23367	2.7
299.20001	3.2
309.78302	2.1
311.23718	72.6
312.24399	3.2
313.21347	2.3
313.24765	3.0
317.46878	2.5
329.24783	29.8
389.31766	3.1
407.33133	3.9
417.31506	5.9
435.32623	40.6
453.33649	100.0
471.34750	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	Dyvariabilin D
Peak:m/z	Relative Intensity
55.05505	4.7
55.80110	1.0
57.07072	1.2
65.03922	1.3
67.05501	7.8
69.07070	5.8
70.67739	3.0
78.56964	1.0
79.05500	13.1
81.07066	47.0
83.04996	1.3
83.08622	2.6
84.10268	1.2
85.06569	1.2
91.05487	9.9
93.07049	15.1
95.04970	1.1
95.08617	17.8
97.06548	2.0
97.99279	1.3
105.07034	14.4
107.08607	24.3
108.77649	1.2
109.06524	19.1
109.10172	14.2
111.08050	2.3
117.07015	3.6
119.08583	22.7
121.10152	18.4
123.08064	4.3
123.11675	5.2
125.09652	1.2
129.07014	2.2
131.08588	8.7
133.10130	13.4
135.08086	6.9
135.11694	14.1
136.38792	1.1
137.09644	2.3
137.13258	2.8
141.06912	1.0
142.07773	2.9
143.08586	7.8
145.10115	12.2
147.08041	1.2
147.11685	11.3
149.09639	6.9
149.13255	2.9
151.07568	1.4
151.11150	3.8
155.08557	2.7
156.09351	2.3
157.10132	14.6
158.10875	1.4
159.11702	14.0
161.09592	2.4
161.13283	7.9
163.11171	4.5
169.10129	4.8
170.10948	2.1
171.11710	10.4
173.13249	11.0
175.11174	2.3
175.14818	6.2
177.12782	1.9
177.16429	2.0
181.10109	2.2
182.67755	1.0
183.11688	6.8
185.13287	6.2
187.14845	7.8
189.16371	6.8
193.12233	3.2
195.11732	3.3
197.13266	5.6
199.14764	6.6
201.12764	2.3
201.16388	5.8
203.14313	2.0
203.18008	2.1
207.11572	1.5
209.13263	3.9
211.14787	3.4
213.12900	1.4
213.16400	4.2
215.14389	2.1
215.17935	4.4
223.14830	3.3
225.16444	4.7
227.14417	5.1
227.17972	4.0
229.15944	1.7
229.19452	5.6
237.16336	2.7
239.17923	3.3
241.19513	3.1
245.15289	1.9
247.94138	1.2
249.16536	1.8
251.17981	2.0
253.19638	1.4
255.21103	4.0
259.20645	1.7
265.19531	1.9
273.22125	2.7
279.20905	2.5
293.22620	7.5
295.20569	1.4
295.24274	3.1
311.20392	1.9
311.23688	11.7
319.24313	1.4
329.24637	3.0
335.27136	1.7
337.25150	1.8
345.25757	1.3
353.28333	5.2
363.26810	9.6
369.27856	1.5
381.27893	39.5
399.28964	100.0
417.31311	2.3
435.32553	12.3
453.33621	24.1
471.34769	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	471.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.0
55.05508	22.6
57.03435	3.7
57.07054	4.6
59.04998	3.7
67.05505	29.7
69.03429	7.3
69.07076	21.5
71.04984	10.0
71.55794	5.3
73.06517	4.2
77.91256	3.1
79.05504	29.7
81.07060	50.4
83.04987	7.6
83.08617	12.0
85.06548	5.3
91.05476	37.0
93.07047	53.1
95.01377	3.4
95.04970	5.3
95.08615	72.2
97.06562	6.9
97.10142	5.6
99.08097	11.7
105.07034	65.1
107.08607	63.4
109.06559	7.7
109.10172	38.0
111.08086	51.5
113.09643	8.8
113.42816	3.1
114.87199	3.5
117.07029	13.0
119.08587	80.7
121.06455	4.9
121.10140	53.6
123.08101	7.0
123.11731	12.9
125.09643	9.9
128.06184	5.4
129.07001	4.6
131.04955	5.1
131.08577	42.1
133.10139	68.5
135.08118	3.6
135.11696	28.8
137.09671	4.5
141.06949	3.8
142.07816	5.4
143.08563	23.5
145.09047	5.3
145.10121	55.4
147.08057	4.8
147.11694	46.7
149.09610	6.6
149.13280	33.0
151.11230	4.7
155.08575	8.2
156.09383	4.8
157.10133	34.0
158.10849	6.1
159.08098	8.3
159.11694	65.2
161.09631	8.9
161.13240	30.9
163.11177	6.1
163.14825	9.5
169.10118	18.1
170.10814	9.5
171.11667	28.3
173.13269	43.7
175.11227	4.8
175.14854	29.4
177.12650	3.7
177.16403	25.1
181.10106	10.3
183.11713	23.7
184.12485	4.0
185.13240	31.5
187.14835	39.2
189.16414	44.5
191.14299	5.2
193.10144	5.9
193.12344	3.3
195.11682	9.0
196.12498	4.0
197.13313	26.8
199.14836	33.5
201.16386	36.0
201.49454	3.6
203.14243	3.8
203.18005	18.4
205.15945	11.8
207.17429	14.2
209.13242	12.8
211.11224	3.6
211.14836	15.2
213.13150	3.4
213.16342	21.5
215.14549	5.3
215.17995	14.4
217.15971	4.5
219.17535	8.5
223.14836	11.0
225.16376	15.3
227.17961	12.3
233.15465	8.3
233.18842	4.8
235.14809	8.8
237.16412	9.9
239.17987	16.1
241.19548	5.3
245.15343	5.3
245.19043	10.1
247.17070	7.1
249.16379	6.3
251.18013	6.2
253.19626	16.9
255.21210	11.6
257.15433	4.3
257.19147	5.3
267.20856	5.3
279.21008	7.8
280.21680	4.0
283.24222	14.5
291.21182	3.7
293.22644	12.1
294.23459	8.3
295.21301	4.5
295.24228	29.4
311.23749	7.8
313.25189	41.8
319.85168	3.5
321.25897	4.5
337.25266	4.8
339.26459	3.9
356.07800	3.4
363.26801	9.8
381.27887	29.4
393.20023	3.6
393.28027	6.9
395.29083	5.4
395.33566	5.4
407.32996	22.6
411.29077	4.8
413.30414	7.9
417.31436	6.8
417.78751	3.8
423.32410	10.8
425.34039	11.3
435.32556	50.3
441.33615	28.1
453.23010	4.4
453.33670	100.0
471.34793	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	471.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52861	1.8
53.03938	2.3
55.01855	3.0
55.05516	9.5
57.07075	4.4
59.37279	1.8
65.03922	2.1
67.05510	15.1
69.03422	5.5
69.07067	5.8
71.05000	3.3
76.01842	2.2
79.05503	15.0
81.03427	11.3
81.07065	19.1
83.04973	3.9
83.08659	2.6
89.06049	2.8
91.05490	20.1
93.07062	19.9
95.04973	13.2
95.08617	26.4
97.06541	5.4
102.05549	1.9
105.07041	26.1
107.04974	2.1
107.08602	28.5
109.06529	4.4
109.10171	15.5
109.88540	2.0
111.08060	2.9
115.05448	2.2
117.07004	8.4
118.39606	1.9
119.08590	36.4
121.06506	5.5
121.10166	26.0
123.04422	5.2
123.08069	4.6
123.11721	9.2
123.99486	1.8
125.09644	2.4
127.07563	4.2
128.06232	2.2
129.06985	6.7
131.04947	3.9
131.08566	19.9
133.06497	4.9
133.10146	25.9
133.75365	2.2
135.08057	7.7
135.11679	9.3
137.05962	4.5
137.09628	4.0
137.13312	2.9
139.11160	2.9
141.06998	3.7
142.07800	5.9
143.08549	16.0
144.09387	3.3
145.06502	3.5
145.10130	26.7
147.08057	10.1
147.11697	13.0
149.09625	5.8
149.13286	4.9
153.06937	2.7
154.07809	2.7
155.08563	6.4
156.09354	8.5
157.10159	24.3
158.10963	2.6
159.08072	11.3
159.11694	20.3
161.09647	18.2
161.13277	7.9
163.07487	1.9
163.11134	3.6
165.06903	3.1
169.10184	13.0
170.10928	4.3
171.08035	7.9
171.11711	21.0
173.09621	15.6
173.13257	15.4
175.11185	12.2
175.14848	8.6
177.03125	1.7
177.12720	3.2
179.08479	2.4
181.10059	4.8
182.10947	3.7
183.08170	4.4
183.10237	2.7
183.11725	19.1
184.08829	4.0
185.09633	13.6
185.13290	19.5
186.10410	2.2
187.11183	8.3
187.14824	12.5
189.09140	10.3
189.12733	5.2
189.16360	5.3
194.10866	2.4
195.11737	8.7
196.12479	2.8
197.09639	5.3
197.13290	14.9
198.10631	2.2
199.11198	18.8
199.14857	8.3
201.09129	6.6
201.12776	12.1
201.16304	10.7
203.10666	12.1
203.14301	4.2
203.17950	2.1
205.15863	2.6
207.11711	4.3
209.13312	7.3
211.11308	1.9
211.14859	6.8
213.09161	1.9
213.12794	24.4
213.16344	3.2
215.10674	11.0
215.14336	11.4
215.18022	3.7
217.12263	8.7
221.13223	4.4
223.11234	2.5
223.14758	7.3
225.16420	2.7
227.14232	3.0
227.17924	4.8
227.20102	4.4
229.15810	3.2
229.19498	2.3
231.11731	3.0
231.13850	32.4
233.13185	2.0
233.15388	3.6
235.14888	3.7
237.16365	4.3
239.17920	3.1
241.15855	2.4
241.19478	3.3
243.21202	3.0
245.15335	3.3
249.14729	9.6
251.18089	4.1
251.69614	2.2
253.15944	3.1
257.15347	2.4
257.22787	2.3
263.17859	2.7
269.18927	2.3
279.17334	2.9
281.18951	2.6
293.22586	3.1
307.17056	2.5
313.25061	2.0
317.19003	5.8
333.18292	2.9
345.22089	4.4
347.23645	5.1
349.21707	5.0
353.24744	3.1
357.22049	7.3
359.20001	2.8
363.23035	5.2
375.23160	26.6
381.27948	6.1
387.23126	5.3
393.19467	3.3
393.24280	41.9
395.29398	6.0
399.23099	2.6
411.25345	15.9
413.30536	4.2
417.24432	9.9
429.26358	7.4
435.25284	28.6
435.32529	9.0
453.26306	24.9
453.33539	16.4
471.27359	100.0
471.34534	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	471.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01863	2.9
55.05514	4.7
57.03405	1.6
57.07055	1.3
65.03949	1.4
67.05507	9.2
69.03429	4.7
69.07079	4.3
71.05002	2.9
71.55753	1.1
71.56121	1.5
79.05492	10.1
80.79597	1.2
81.03419	11.9
81.07053	13.6
83.04984	5.0
85.02873	1.1
85.06561	2.5
91.05478	15.3
93.07045	17.3
95.04966	11.2
95.08607	14.5
96.08934	1.3
97.06548	4.1
103.05493	1.6
105.03384	2.9
105.07037	19.0
107.04952	3.3
107.08602	18.2
109.06527	7.7
109.10166	8.0
111.08073	2.4
115.05431	1.6
117.07003	6.9
119.04960	1.9
119.08581	23.2
120.08968	1.6
121.06509	6.0
121.10183	10.8
123.04443	4.6
123.08064	7.4
123.11724	1.2
125.09641	1.7
127.07565	2.8
128.06229	4.0
129.07022	5.6
130.07822	2.2
131.04988	5.7
131.08568	14.1
133.06511	4.7
133.10127	16.5
134.10597	1.3
135.08067	6.4
135.11713	4.7
137.05986	5.5
137.09634	2.7
141.07031	3.3
142.07790	7.5
143.08565	15.1
144.09341	1.9
145.06526	4.9
145.10139	20.1
147.08061	9.8
147.11685	8.4
149.09593	5.2
149.13310	3.0
151.07571	2.4
154.07802	1.7
155.08519	8.8
156.09346	7.7
157.06546	1.2
157.10141	25.6
159.08089	12.2
159.11702	18.7
161.09636	19.0
161.13297	6.4
163.11157	1.4
165.07007	3.0
165.09164	1.9
165.12787	1.3
166.07727	1.8
167.08591	3.9
168.09302	1.4
169.10141	14.1
170.07358	1.6
170.10902	6.3
171.08110	6.3
171.11697	19.9
172.08844	2.2
172.12112	1.1
173.09633	15.6
173.13240	10.8
175.11220	9.7
175.14905	3.9
177.12741	5.3
179.08606	3.4
179.10733	1.6
181.10049	5.7
182.10930	3.6
183.08122	3.1
183.10222	1.6
183.11702	17.0
184.08849	2.6
185.09622	16.7
185.13269	20.3
186.10513	1.7
187.11168	8.1
187.14842	7.3
189.09132	13.3
189.12744	5.7
191.10722	2.2
191.14326	1.2
193.10159	4.1
194.11005	2.3
195.11714	8.2
195.13394	1.3
196.12494	2.3
197.09668	4.7
197.13263	13.5
198.10474	2.6
199.11194	17.0
199.14853	5.7
201.09138	6.5
201.12758	8.5
203.10672	10.7
203.14316	3.0
203.61560	1.1
207.11758	3.8
208.12523	1.9
209.09717	2.0
209.13330	8.1
210.14053	1.3
211.11266	2.4
211.14911	6.8
213.12752	23.3
213.16341	2.0
215.10681	11.6
215.14272	12.1
217.12289	9.4
219.11795	2.8
219.13823	1.6
220.12564	2.2
221.13316	5.5
222.14063	1.8
223.14818	6.3
225.12816	3.8
225.16412	3.4
227.10747	2.9
227.14372	4.7
229.10168	1.6
229.15968	2.5
231.11729	1.4
231.13811	35.4
233.13297	2.9
233.15384	3.5
235.14873	5.2
237.12798	1.8
237.16411	5.2
239.14227	1.2
239.17964	1.6
241.12242	1.2
241.15894	2.0
245.15427	1.9
247.14926	2.5
249.14641	10.1
251.14307	2.0
251.18054	3.2
253.12187	1.2
253.15979	3.8
253.19333	1.8
255.13885	1.4
257.15527	1.7
261.12894	2.4
261.16159	1.2
263.17899	2.5
265.15967	2.3
266.16544	1.4
267.13843	2.0
267.17319	1.6
277.15945	2.5
279.17538	1.4
281.19113	2.8
287.14127	1.4
289.19678	1.7
291.17459	2.7
293.19153	2.3
293.22607	1.8
301.15948	1.5
304.06265	1.4
305.19092	2.3
311.23590	4.5
317.18979	5.1
321.22189	2.2
323.19873	1.9
329.24658	1.5
331.20667	4.8
333.18631	4.1
333.22314	1.7
345.22073	6.2
347.23846	4.2
349.21640	4.5
357.22098	11.0
359.20291	1.9
363.23135	6.9
365.24765	2.9
375.23242	30.6
381.24316	1.6
387.23340	4.0
389.24936	1.9
393.24225	52.0
394.24524	1.4
399.23355	4.9
411.25375	14.3
417.24268	13.9
429.26343	9.7
435.25388	27.8
435.31665	2.3
453.26505	27.7
453.33524	8.2
471.27515	100.0
471.34088	10.3
472.27771	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2378
Annotation	3beta-Hydroxy-3-deoxycarapin
Peak:m/z	Relative Intensity
50.96762	1.4
53.03951	3.5
55.01865	3.9
55.05511	6.3
62.78761	1.7
65.03936	1.9
66.55820	1.3
67.05514	18.3
68.99796	1.8
69.03425	5.2
69.07085	3.5
69.80264	2.9
69.80640	2.8
69.97585	1.6
79.05511	7.9
81.03423	55.2
81.07072	10.6
83.04984	18.0
83.08615	2.6
85.06538	2.0
87.71043	1.6
91.05487	11.8
93.07049	8.8
95.04974	33.2
95.08607	20.4
97.06542	5.3
99.08054	1.9
105.07037	24.5
107.04991	7.5
107.08580	12.5
109.06522	5.4
109.10143	4.0
111.08087	2.8
117.07026	5.7
119.04974	3.1
119.08572	11.1
121.06504	6.2
121.10147	8.3
123.08096	10.2
123.11696	2.2
125.09603	2.6
128.06178	2.3
129.07040	4.5
130.07829	1.5
131.04941	3.1
131.08609	8.0
133.06491	10.0
133.10138	16.6
135.08060	7.3
135.11761	2.2
137.09647	5.1
141.06956	1.9
141.09116	3.1
142.07745	4.3
143.08572	11.8
145.06500	11.9
145.10126	10.7
147.08052	11.7
147.11639	3.7
149.05925	2.0
149.09631	5.7
151.07571	12.4
151.11183	3.0
155.08546	6.4
156.09351	3.3
157.10147	14.4
158.07336	2.0
159.08063	11.7
159.11739	10.0
159.12842	1.8
161.05978	2.6
161.09639	15.7
163.11142	2.5
165.07040	2.3
165.09169	3.1
167.07129	2.8
167.08595	4.4
167.10634	2.7
168.09325	1.7
169.10086	11.2
171.08066	4.9
171.11746	12.2
173.09644	19.0
173.13257	5.0
175.11186	2.8
177.09047	2.0
179.08495	4.5
179.10695	4.3
180.09392	2.0
181.10040	2.4
183.08052	4.2
183.10237	2.9
183.11685	8.5
185.09654	10.1
185.13264	7.3
187.11150	6.2
187.14845	1.8
189.09023	2.5
192.09286	2.0
193.10182	3.3
193.12187	2.3
194.10846	2.5
195.08014	3.8
195.11681	7.7
196.12546	1.7
197.09641	6.9
197.13286	6.1
198.10233	1.8
199.07561	2.3
199.11201	10.7
199.14949	2.8
201.09106	7.0
201.12669	4.0
205.08583	3.2
207.11739	3.8
208.12512	4.0
209.09622	6.3
209.13245	8.2
211.11226	4.7
211.14856	4.3
213.09171	4.0
213.12759	5.1
215.10703	4.1
215.14287	5.8
217.12294	3.2
219.11873	2.4
219.13817	1.7
220.12514	2.8
221.09474	3.4
221.13252	5.2
223.11140	5.7
223.14839	12.5
224.11829	2.0
225.09184	3.0
225.12746	5.3
225.16306	4.4
227.10748	3.9
227.14355	5.7
229.12393	2.6
233.13351	3.7
235.11159	3.4
235.14908	5.5
236.12062	3.1
237.12752	5.7
237.16479	4.1
239.10588	3.3
239.14180	2.6
239.18045	2.3
241.12286	2.2
241.15935	4.1
243.10159	5.5
243.13797	2.4
247.14906	3.6
249.12720	4.3
249.16441	3.7
251.14351	14.0
253.12126	2.7
253.15967	5.9
255.10011	2.0
255.13768	3.0
257.15460	3.1
261.12631	2.8
263.14392	3.2
265.15955	4.0
267.13855	3.5
269.15469	7.8
271.16983	2.4
277.15930	2.4
279.13794	3.9
279.17218	1.7
281.15399	2.5
283.16870	1.7
293.15402	3.0
295.13239	2.6
295.16681	2.1
297.14960	2.9
309.18417	2.2
311.16422	5.0
313.14252	2.3
313.17896	2.2
317.18900	2.1
319.16907	2.2
321.15002	1.8
323.20135	2.0
325.18066	2.2
327.15881	2.3
333.18433	5.1
335.19962	3.8
343.19199	11.1
345.16797	2.1
347.19818	2.3
351.19568	6.4
353.13849	3.2
357.22073	4.5
361.18018	3.4
365.20935	1.7
375.19162	2.8
375.23465	7.7
377.20508	2.2
379.19077	11.7
393.19989	9.6
393.24463	5.4
395.22235	9.6
403.19107	2.9
407.22064	3.0
411.21619	30.1
417.21307	1.9
421.20135	7.4
425.23245	18.7
427.24762	13.0
435.21527	3.8
439.21231	100.0
440.21381	1.9
453.22684	29.1
471.23810	7.3
471.34711	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	471.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01878	15.2
55.05506	2.4
67.05499	5.3
69.03442	3.0
69.07057	1.5
71.55496	2.9
77.03888	2.5
79.05502	19.9
81.03419	20.3
81.07060	8.2
82.64076	1.5
83.04977	3.8
83.80026	1.7
91.05480	44.4
93.07069	9.3
95.01348	2.2
95.04972	16.7
95.08604	6.7
103.05466	3.4
105.07030	19.5
107.04963	19.3
107.08605	10.4
109.06520	4.1
109.10155	2.6
115.05459	7.0
116.06229	5.6
117.07011	16.2
119.04898	3.3
119.08588	40.2
121.06516	8.4
121.10127	7.2
123.08090	3.5
128.06235	6.6
129.07021	25.2
130.07794	2.0
131.08572	38.5
133.06476	6.6
133.10132	22.5
135.08026	5.4
135.11702	2.6
141.07004	5.3
142.07771	5.8
143.08574	22.2
144.05705	5.2
144.09363	4.1
145.06459	14.2
145.10133	14.0
147.08058	63.0
147.09236	3.5
147.11708	6.3
149.09610	23.8
153.07051	2.5
155.08563	9.1
156.09360	10.6
157.06523	2.4
157.10130	46.6
158.10771	2.0
159.08066	100.0
159.11668	45.5
161.09641	45.8
163.07620	4.1
163.11194	1.6
165.07033	2.2
165.09100	2.0
166.07787	2.7
167.08533	3.1
167.10715	1.8
168.09364	3.6
169.07718	2.4
169.10132	18.7
170.10895	2.5
171.08095	7.1
171.11693	47.0
173.05913	3.7
173.09624	18.7
173.13239	15.0
175.07582	10.5
175.11206	6.4
177.09090	4.4
179.08594	4.2
180.09363	2.8
181.10126	5.7
183.08073	4.9
183.11714	22.6
185.09604	9.2
185.13266	13.8
187.11177	14.0
189.09132	3.8
189.12852	2.2
191.10674	4.5
193.10097	4.7
193.12039	2.4
194.10915	2.1
195.08012	1.9
195.11673	5.8
196.12561	1.9
197.09631	6.6
197.13298	9.5
199.11165	14.1
201.09071	5.0
201.12747	11.7
203.10617	2.5
205.10179	2.5
205.12207	2.1
206.11084	2.3
207.11761	4.5
208.12390	2.1
209.09476	3.6
209.13301	5.0
210.10457	1.9
211.11133	5.3
211.14790	2.1
213.09074	3.2
213.12711	3.6
215.10658	6.6
217.12209	5.7
218.10915	2.6
219.11816	2.5
219.13774	2.2
221.13246	5.1
223.11159	7.6
223.14755	3.4
225.12740	13.6
227.10646	3.4
227.14340	3.8
229.12224	9.9
230.10817	2.2
231.11832	3.2
231.13820	10.8
233.15298	11.7
235.11195	3.4
235.14923	3.6
235.16917	2.1
237.12738	5.6
239.14331	4.0
241.12247	2.8
243.13892	7.9
245.13419	2.2
245.15469	2.5
247.11145	3.6
247.13261	3.7
248.11969	1.7
249.12680	3.9
249.14839	2.9
251.14131	2.9
253.15828	1.9
259.11066	4.3
261.12506	3.2
261.14810	8.4
263.10443	1.9
263.14243	4.7
265.15945	3.0
267.13806	2.5
273.12689	3.1
275.14322	2.7
279.13797	2.7
285.12723	2.0
287.14447	2.7
289.15799	3.8
291.13644	2.6
293.15369	3.7
295.16818	2.0
300.15219	3.3
301.15964	2.3
303.17416	4.2
305.15628	2.0
305.19055	3.7
307.16873	2.8
315.17459	9.8
317.15363	2.4
317.19003	4.8
323.16373	3.5
329.18961	7.3
331.16849	4.1
333.18484	11.1
335.16431	4.0
341.17459	2.9
343.16840	4.7
345.14978	2.1
345.18823	3.1
347.20129	8.0
349.17911	1.9
357.18454	6.1
361.17908	5.5
363.19153	2.2
367.22824	2.4
369.16788	2.2
371.20850	2.2
375.19589	13.5
377.21353	3.2
379.22794	2.9
381.20602	4.0
385.17798	1.9
389.21100	14.3
391.22864	3.3
393.20444	3.6
395.22125	2.1
403.19031	6.0
405.20712	3.8
407.22125	24.9
409.19772	2.2
417.20502	10.4
421.20178	3.4
423.21747	2.8
425.23187	14.6
435.21704	25.3
439.20786	2.2
443.24091	2.3
453.22787	33.6
471.23422	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
55.01852	3.8
55.05502	5.6
56.63141	1.7
57.03439	2.6
59.04991	3.5
61.02923	4.1
67.05524	4.0
69.03426	22.3
69.07066	4.1
70.06590	8.8
71.05002	4.2
71.67117	1.4
72.08148	2.5
73.02899	2.9
79.05491	3.5
81.03416	16.2
81.07067	4.9
81.30991	1.5
83.04980	8.2
83.08644	2.6
84.08180	2.0
85.02905	26.8
85.06539	2.5
86.00230	1.5
86.09685	1.9
87.00837	13.2
91.05483	22.3
91.18015	1.7
93.06474	3.5
93.07044	56.7
95.04974	6.2
95.08616	4.4
97.02888	16.3
97.06499	1.8
99.04455	6.8
100.07641	2.5
100.11280	9.5
103.03971	2.1
103.05483	3.2
105.01866	6.1
105.03409	2.7
105.04543	2.2
105.07030	11.2
107.04946	6.8
107.08601	8.5
109.02883	10.5
109.06515	5.1
109.10152	3.1
111.04450	2.5
113.06052	2.4
115.05488	1.7
117.01820	1.9
117.07016	5.2
119.04973	1.7
119.08560	7.0
121.06505	81.3
121.10152	7.1
123.36970	1.4
124.07654	2.2
125.05970	2.2
127.03915	19.5
127.07565	5.3
129.06999	3.8
131.04886	1.8
131.08565	4.4
133.10127	5.2
135.04382	2.2
135.08044	4.6
135.11745	3.4
136.07553	2.0
137.05978	1.8
137.09615	4.5
139.03841	1.5
139.07547	3.1
143.08461	1.9
144.09384	2.0
145.02875	2.4
145.04939	6.3
145.06506	2.5
145.10147	4.9
147.08000	2.8
149.05968	2.6
149.09612	34.6
149.13257	3.0
153.09105	1.7
157.10175	7.7
159.02933	4.2
159.08035	2.1
159.11649	11.7
161.09593	3.2
162.03119	5.8
163.03966	5.7
163.11189	5.5
167.07050	2.2
172.08839	3.4
175.07509	3.0
175.11154	14.9
175.31709	1.5
177.05464	6.8
177.12764	7.5
179.10689	3.2
187.11150	16.7
190.02596	8.7
193.12213	3.9
195.06583	1.8
203.07010	3.7
205.12241	58.1
207.02971	4.3
208.03734	8.4
209.16553	2.3
210.02063	1.6
210.14919	3.8
223.06018	100.0
223.13286	93.9
229.08609	1.9
231.04897	2.4
245.08066	2.5
249.07672	3.7
273.07526	2.9
309.09576	2.4
309.14444	1.9
453.17679	2.0
470.37122	10.2
471.08688	7.4
471.21341	5.0
471.37115	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	471.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00564	0.2
53.03944	0.4
55.01876	0.3
55.05503	0.6
57.03441	0.3
59.05006	0.2
65.03928	0.2
68.99788	0.3
69.03439	1.0
69.07040	0.2
69.37977	0.8
69.38387	0.6
70.06586	0.5
71.04981	0.4
73.02880	0.3
78.04726	0.4
79.05516	0.5
81.03428	1.0
83.08614	0.5
85.02920	2.0
87.00825	0.7
91.05480	0.3
95.04955	0.2
97.02900	1.5
98.21638	0.2
99.04437	0.4
100.11273	3.6
105.01850	0.8
106.04163	0.3
107.04963	5.7
109.02883	1.5
110.29527	0.2
111.04469	0.4
127.03933	1.9
128.07108	0.3
129.01811	0.2
133.02863	0.2
134.03688	1.0
135.04434	2.2
145.03966	0.3
145.04997	0.4
159.02847	0.2
162.03134	5.3
163.03922	4.4
163.11165	0.2
166.88802	0.2
167.07053	0.3
178.02440	0.2
179.03427	1.8
179.06918	0.3
180.04225	0.7
182.15392	0.7
190.02625	11.1
191.03349	0.5
193.01360	0.8
193.12180	0.3
194.02168	0.6
195.06543	0.7
199.17165	0.2
205.01306	0.3
207.02910	2.9
208.03687	8.1
209.16476	0.6
210.14900	1.0
223.06029	100.0
224.06378	0.7
231.04811	0.3
253.99974	0.2
471.21841	0.2
471.35483	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	470.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
56.05038	3.7
56.96559	0.8
57.03437	0.5
58.06597	1.3
60.08172	4.5
61.02937	0.7
63.13929	0.4
64.41642	0.4
64.82985	0.5
69.03439	2.9
69.07072	0.7
70.06615	1.0
70.20660	0.4
72.08162	14.5
73.02913	0.7
74.02456	0.6
81.03419	1.0
81.07047	0.6
82.06576	0.7
84.04511	79.5
84.08159	0.7
85.02906	6.9
86.09724	0.5
87.04462	0.8
88.03992	1.1
97.02902	1.9
97.06577	1.4
98.21513	1.1
98.97588	2.3
99.04500	0.5
100.07633	4.5
102.05553	28.7
103.04015	0.5
105.03367	0.7
107.04971	0.6
109.02875	0.6
110.97607	0.8
112.99200	0.6
113.01748	0.6
116.98608	0.8
118.08672	6.6
125.06039	2.2
127.03942	1.8
128.98582	0.7
129.01225	0.7
130.05014	39.5
131.03461	0.7
136.06195	3.1
138.05516	0.6
139.03931	0.5
141.01198	0.6
143.07080	0.8
145.02972	0.8
145.04993	0.9
146.08142	1.9
147.04448	0.7
147.07639	0.7
148.06058	100.0
148.13339	1.5
148.93413	0.5
152.08289	0.5
161.04613	0.5
161.08112	1.2
163.03925	1.0
167.07056	0.7
177.05501	0.5
185.06305	0.6
190.04991	0.8
201.00757	0.5
213.07233	0.4
218.09607	1.6
219.01772	2.7
237.02869	1.9
237.55917	0.5
252.80258	0.5
260.07022	1.8
262.08530	1.8
271.07553	0.8
273.08316	0.8
309.09775	0.9
313.10449	1.5
314.11029	0.6
316.08167	0.5
319.06985	1.7
323.06421	0.5
337.08237	1.5
340.07297	0.5
342.10843	1.2
342.60800	1.5
343.10892	1.0
343.60870	1.1
344.10400	3.5
406.07883	0.5
470.15726	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	470.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06286	2.1
55.05500	8.6
55.54863	2.1
57.07070	6.8
63.71956	2.2
65.03932	1.9
67.05517	26.3
69.03085	4.4
69.03436	55.3
69.07069	11.9
71.05003	3.5
72.43339	2.0
73.06562	2.7
79.05505	13.3
81.07062	30.8
83.04976	3.6
83.08620	10.3
89.06051	3.3
91.05458	11.7
93.07045	25.5
95.04982	38.6
95.08624	29.8
97.06519	5.6
97.10175	5.7
99.08123	3.6
105.04540	2.2
105.07047	21.8
107.04956	7.8
107.08599	23.0
108.28495	2.5
109.06548	5.4
109.10169	22.2
111.08101	5.1
117.07059	5.5
119.08580	24.3
121.09451	2.3
121.10171	28.0
121.23348	2.2
123.08061	8.5
123.11713	15.3
125.09654	5.3
131.08568	13.8
133.10150	20.3
135.08067	6.7
135.11716	7.5
136.86584	2.2
137.09628	6.2
139.11151	3.1
141.09059	3.1
143.08583	8.7
145.10149	20.1
147.11693	13.3
149.09619	4.9
149.13248	9.4
151.11198	7.0
155.08560	4.6
156.09450	2.4
157.10097	11.6
159.11699	21.5
161.09576	5.4
161.13268	29.3
163.11174	4.7
163.14778	3.0
165.12737	3.3
169.10144	8.9
171.11691	16.7
173.13232	12.9
175.11128	2.9
175.14853	6.4
177.12799	5.4
183.11662	6.8
184.12303	2.3
185.13249	10.4
187.14894	14.7
189.12776	5.3
189.16368	5.6
195.11667	5.9
197.13274	9.5
199.14836	9.7
201.12794	5.0
201.16411	6.5
203.14319	5.3
203.17955	3.9
205.15869	2.7
209.13266	3.7
211.14818	12.1
213.16400	5.8
215.14372	3.3
215.17921	6.4
225.16336	8.1
227.18005	11.1
229.16075	3.8
229.33624	2.4
231.17435	7.0
233.13197	2.5
237.16432	4.6
239.17928	5.8
243.17474	3.2
245.19066	17.3
249.16336	2.6
251.18016	2.4
253.19514	3.7
257.19022	8.9
259.20676	12.1
267.20999	2.3
271.20563	5.1
277.19699	2.3
279.21353	2.6
283.20621	5.6
284.28790	2.2
285.22089	3.7
293.22491	2.7
295.20868	4.8
295.24231	11.6
297.22067	3.1
309.22003	4.7
311.23776	15.5
313.25247	58.4
325.21396	2.6
337.25241	11.6
339.26898	6.2
345.25867	2.4
349.25320	2.3
351.26944	3.1
356.64508	2.4
363.26895	16.3
381.27914	100.0
383.29404	4.8
398.30591	7.5
413.18207	2.6
417.31528	5.2
425.33923	3.8
432.69543	2.6
435.32571	14.7
453.33728	17.7
470.36121	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
53.03938	2.0
55.05508	1.8
57.07057	0.8
59.05013	0.9
60.03291	0.7
62.00764	0.6
63.39161	0.7
65.03934	1.1
67.05231	0.7
67.05512	7.8
69.03416	1.2
69.07076	3.1
71.04990	1.6
79.05498	12.9
81.07063	60.9
83.04991	1.9
83.08605	1.1
83.84136	0.7
85.06538	1.1
91.05491	8.2
93.07049	10.0
95.04978	1.7
95.08614	11.4
97.06540	1.5
99.08109	1.3
105.07038	10.5
107.08605	10.8
109.06524	30.8
109.10160	7.1
111.08086	1.2
112.63678	0.7
117.07030	2.5
119.08585	10.9
121.06496	1.6
121.10151	5.8
123.08073	4.4
123.11721	4.3
125.09577	1.1
128.06207	0.9
129.06985	2.5
131.08592	6.0
133.10153	8.7
134.98250	1.0
135.08069	7.6
135.11678	4.4
137.09613	2.9
139.11162	1.1
141.06947	0.7
142.07762	1.6
143.08574	5.2
145.10138	8.1
147.08046	1.3
147.11685	6.0
149.09633	4.1
149.13257	1.6
151.11186	2.1
155.08598	1.3
156.09331	0.8
157.10144	7.7
159.07967	0.7
159.11699	8.1
161.09668	3.7
161.13260	4.3
163.11200	2.6
163.14751	0.7
165.12805	1.3
167.08559	0.7
168.09344	0.8
169.10162	2.3
171.11681	6.0
173.09573	1.5
173.13252	6.1
175.11224	2.1
175.14761	1.7
177.12782	2.6
179.10695	1.5
179.14275	1.2
181.10136	1.3
181.12097	0.7
183.11655	3.9
183.77795	0.7
185.13287	5.0
187.11217	0.8
187.14841	3.8
189.12726	2.6
191.10693	1.1
191.14345	2.4
193.12207	1.0
195.11742	2.1
197.13313	3.4
199.14796	4.8
201.12732	3.4
201.16498	2.8
203.14316	5.0
205.15881	1.4
206.62437	0.7
209.13290	1.4
211.14822	1.9
213.16429	3.4
215.14374	2.6
217.15961	0.8
219.13942	0.8
219.17386	0.8
221.13283	0.9
223.14845	2.0
225.12839	0.7
225.16405	2.6
227.14302	2.5
227.17966	3.0
229.15907	1.3
229.19580	2.2
231.17506	2.6
235.14816	0.9
237.16524	0.9
239.17961	0.8
241.15773	1.6
243.17491	1.7
243.21191	1.0
245.18962	4.0
251.18173	1.0
253.19550	1.6
255.17474	0.7
257.19159	0.7
259.17282	0.8
263.18210	0.7
269.19168	0.9
271.20566	4.2
287.20288	0.9
289.21667	8.5
293.19177	1.1
293.22556	0.8
309.22229	1.7
311.23666	2.7
316.56226	0.7
327.23206	1.8
333.22284	0.9
335.23727	1.3
337.25284	2.0
351.26752	3.3
353.24719	1.4
361.25339	2.5
367.26437	1.2
369.28058	1.7
379.26389	16.6
397.27405	100.0
398.27924	1.1
433.30911	2.7
451.32080	7.2
469.23267	1.0
469.33279	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3319
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03937	6.5
55.01860	7.3
55.05499	14.6
57.03415	11.2
59.84215	3.6
60.54177	3.7
67.05229	3.4
67.05513	37.5
69.07060	16.5
70.60728	10.9
71.04979	8.3
79.05505	30.9
81.07069	55.7
83.04979	7.1
83.08592	4.3
91.05484	44.1
92.79046	3.6
93.07057	77.5
95.04948	13.4
95.08052	6.8
95.08610	87.7
97.06493	6.0
97.10166	5.7
103.05452	5.2
104.10778	6.1
105.04460	4.3
105.06395	6.7
105.07040	95.2
107.08613	81.9
109.06536	10.2
109.10168	48.7
109.38657	4.3
111.08090	58.6
115.05399	4.6
117.07011	20.4
118.32124	3.2
119.08598	85.1
121.06523	9.7
121.10159	70.3
123.04391	4.3
123.08085	6.6
123.11703	12.1
128.06255	4.2
129.07010	12.4
130.07765	4.5
131.04938	5.1
131.08586	55.1
133.06563	7.8
133.10147	68.8
135.08061	11.0
135.11711	27.0
137.09604	6.4
137.13242	3.9
141.06979	7.1
142.07796	5.9
143.08586	32.6
144.09288	5.7
145.06483	7.3
145.10136	90.6
145.11272	6.2
147.08037	12.6
147.11688	41.4
149.09665	20.3
149.13268	65.5
151.07561	5.3
151.11200	4.8
155.08604	6.1
156.09361	8.1
157.10123	30.9
159.08015	5.0
159.11723	67.9
161.09645	13.1
161.13301	38.2
163.11150	7.4
163.14835	6.7
169.10161	15.8
170.10811	5.0
171.08034	8.8
171.11714	28.4
173.09630	14.7
173.13303	32.9
175.11124	9.3
175.14845	32.4
177.09093	10.7
177.12875	5.8
177.16409	56.6
181.10126	5.8
183.11681	15.6
184.08777	4.7
185.09583	8.5
185.13315	19.2
187.11145	6.7
187.14810	30.4
189.09103	5.1
189.12782	4.0
189.16400	76.2
191.10568	6.6
191.18028	7.3
194.10962	4.2
195.11646	10.2
197.09630	8.9
197.13235	12.9
199.11188	11.3
199.14839	15.3
201.12669	6.1
201.16386	31.7
203.14313	8.8
203.17924	19.0
203.88066	4.7
205.12201	5.3
205.15901	6.7
207.11784	7.4
207.17525	29.3
209.13287	10.7
211.11240	17.7
211.14885	4.7
213.12753	11.2
213.16380	11.9
215.14340	4.8
215.17969	12.2
217.10159	4.5
217.15819	8.9
219.17488	5.0
221.13176	12.9
225.12808	5.4
225.16406	6.4
231.13719	7.3
235.11105	5.1
235.14880	4.9
237.12816	4.5
237.16447	5.5
244.12383	4.6
245.15442	6.6
249.16508	4.9
251.17578	3.7
255.20963	5.9
281.22568	4.6
283.24094	5.6
286.13791	3.7
293.22681	6.2
295.16891	4.0
295.24185	11.2
309.18735	5.1
311.23657	5.0
337.17896	6.9
343.20660	4.5
351.19537	5.6
367.26480	7.0
373.21985	4.7
377.17447	4.6
379.26242	9.2
391.18900	7.6
397.27628	5.7
409.20065	4.8
411.29047	19.3
419.18488	5.1
423.21466	4.1
437.19687	5.8
439.32205	59.2
451.21545	7.4
451.32208	47.9
469.22342	100.0
469.32837	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.04005	1.0
55.01922	0.7
55.05576	4.2
57.07115	1.2
59.05075	4.7
59.60404	0.6
65.03999	1.0
67.05586	6.2
69.03162	0.7
69.03515	2.2
69.07156	5.7
70.07496	0.7
71.04749	0.6
71.05080	2.4
71.20366	1.2
77.20258	0.7
79.05589	7.6
81.03490	0.9
81.06639	0.9
81.07150	10.6
83.05078	3.7
83.08693	1.8
85.03006	3.4
85.06598	1.4
91.04962	1.6
91.05584	10.3
93.07153	10.7
95.05078	3.0
95.08714	10.8
97.06645	3.4
97.10236	1.4
99.04533	1.0
103.05563	1.2
105.03497	1.3
105.07032	13.2
106.04555	0.6
107.05044	1.1
107.08589	11.5
109.06631	3.1
109.10155	7.5
111.08203	2.3
113.09760	0.7
115.05535	1.0
117.07011	5.6
119.05010	0.8
119.08575	16.1
121.06616	2.5
121.10146	10.2
123.08198	2.9
123.11802	1.9
125.06030	0.8
125.09715	1.1
128.06354	1.8
129.07013	4.4
130.07878	1.0
131.08565	11.2
133.06660	1.3
133.08640	0.8
133.10132	20.0
135.08211	3.1
135.11681	4.8
137.09735	1.4
139.07516	4.3
141.07133	2.1
142.07773	4.3
143.08549	11.5
144.09494	1.7
145.06563	1.6
145.10126	16.9
147.08186	2.5
147.11690	8.1
149.09770	2.9
149.13377	2.4
151.11295	1.0
154.07887	1.0
155.08527	6.4
156.09320	5.0
157.08891	0.7
157.10123	17.9
158.11060	1.8
159.08104	1.7
159.11696	14.9
161.09752	3.1
161.13254	4.6
163.07632	1.5
163.11362	2.2
163.14891	1.3
165.07108	1.8
165.09238	0.9
167.08725	2.1
167.10803	1.2
168.09500	2.1
169.10117	8.1
170.10939	3.8
171.08180	1.2
171.11691	14.9
172.12532	1.1
173.09644	3.3
173.13249	13.9
175.07672	1.5
175.11354	1.9
175.14868	3.8
177.09134	0.8
177.12834	1.7
179.08656	2.3
180.09479	0.9
181.10120	6.4
182.10876	3.3
183.11693	12.9
184.12434	3.8
185.09697	1.2
185.13266	11.3
187.11343	2.6
187.14799	8.1
189.12897	1.9
189.16528	1.4
191.10786	1.1
191.14426	1.0
192.09489	0.8
193.10298	4.0
193.12270	1.2
194.10995	1.7
195.11707	9.2
196.12619	2.3
197.09663	0.9
197.13264	17.3
198.14056	0.9
199.11227	2.1
199.14822	20.4
200.15527	0.8
201.12839	1.6
201.16365	8.5
203.10977	1.0
203.14328	1.1
205.15965	1.0
206.11098	1.9
207.11745	5.2
208.12570	1.6
209.09917	1.0
209.13283	9.8
209.15044	0.8
210.14238	2.5
211.11359	1.4
211.14816	8.0
212.15683	0.9
213.12941	2.8
213.16328	5.1
215.14471	1.2
215.18129	2.8
217.10394	1.5
217.16008	2.3
218.11127	0.8
219.11865	2.5
219.17488	1.7
220.12665	2.0
221.13290	5.7
222.14148	1.3
223.11354	1.4
223.14824	10.0
224.15753	2.8
225.12921	1.9
225.16371	12.8
227.14406	1.1
227.17883	4.3
230.11079	0.9
231.13959	0.9
232.12616	1.1
233.13379	3.3
234.14096	1.6
235.14861	5.3
237.12743	1.5
237.16385	7.8
238.17342	1.0
239.14394	1.6
239.15508	0.9
239.17934	9.3
240.18828	1.4
241.19627	2.7
243.13901	1.0
243.17566	1.7
245.13322	2.0
245.15645	1.2
245.19026	1.2
247.14813	4.1
248.15802	1.4
249.12866	1.0
249.14052	0.9
249.16408	8.1
250.17319	1.9
251.14449	0.8
251.15520	0.9
251.17946	7.4
253.12396	1.0
253.16010	1.8
253.19498	4.5
255.17610	0.8
255.21236	2.1
259.14999	2.0
259.20639	1.8
260.15634	1.0
261.16473	2.5
262.17300	0.9
263.14752	1.3
263.18134	5.0
264.18765	1.2
265.19409	5.7
266.20303	1.3
267.18088	1.3
267.21304	3.1
268.22070	0.7
269.19131	1.6
271.14896	1.0
273.16483	1.4
275.17929	3.5
276.18658	1.1
277.16147	1.7
277.19662	3.0
278.20370	1.2
279.18005	1.0
279.21277	4.4
281.19147	1.6
287.14371	0.9
287.17822	1.4
289.19522	1.7
291.17902	1.9
291.21255	3.5
293.19205	2.1
293.22794	7.5
294.23508	2.2
295.17358	1.0
295.20731	2.2
295.24347	3.7
297.18930	1.0
297.22141	1.5
303.17654	0.9
303.21115	1.3
305.19232	1.6
305.22690	2.0
307.24329	0.9
309.18802	1.3
309.22308	4.2
309.25601	0.7
310.23102	1.0
311.20258	1.4
311.23627	10.9
313.25513	1.6
317.22824	2.0
319.16922	0.9
319.20776	1.2
319.24118	5.8
321.22183	3.6
321.25687	1.1
323.20190	2.2
323.23837	1.0
325.21689	1.4
331.24103	1.2
333.26025	2.6
335.23849	2.4
336.24652	3.2
337.18155	0.9
337.21741	1.5
337.25421	3.2
343.24310	2.1
345.26096	1.2
347.23547	0.9
350.26260	0.8
351.23206	2.1
351.27039	2.6
353.24756	0.9
361.25290	7.5
363.27042	0.8
365.24786	2.1
369.20392	1.5
369.24490	0.9
373.17831	1.2
375.26932	1.3
377.17746	1.3
379.26328	15.1
381.24203	1.8
391.18536	1.3
393.27856	23.4
395.18320	1.3
397.27322	8.9
405.31458	1.1
409.19391	1.1
411.28897	11.5
415.30032	1.1
419.18658	1.1
423.32486	3.2
433.25082	1.0
433.31003	21.1
437.19592	1.5
439.20966	0.9
451.21524	3.4
451.32071	100.0
452.32333	2.3
469.22714	12.0
469.33105	86.3
470.33163	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Pachanol B
Peak:m/z	Relative Intensity
53.03942	0.9
55.05510	6.3
57.07061	2.3
62.79348	0.7
67.05171	1.0
67.05506	10.7
69.03421	1.6
69.07075	8.6
69.57957	4.1
71.08627	0.7
79.00595	0.5
79.05498	3.9
81.07067	8.4
83.04987	16.9
83.08611	1.7
85.06541	1.0
89.06031	0.6
91.05475	3.9
93.07047	8.9
95.04969	2.5
95.08612	16.2
97.02879	1.0
97.06538	3.9
97.10202	0.8
105.07021	7.3
107.08607	9.7
109.06532	5.9
109.10181	5.3
110.39697	0.7
111.08089	9.3
113.04282	0.6
117.07018	1.6
117.79839	0.6
119.07809	0.8
119.08596	8.4
121.06519	1.0
121.10152	6.8
123.08074	83.0
123.11684	4.4
125.09621	4.3
126.95865	0.5
129.06998	1.4
131.08607	4.8
133.06476	0.7
133.10138	8.6
134.98222	0.9
135.08031	3.8
135.11705	2.9
137.09625	3.1
137.13287	1.8
139.07567	0.6
142.07770	0.9
142.35875	0.8
143.08563	2.6
144.09305	0.7
145.10156	7.2
147.08080	1.1
147.11690	4.9
149.09627	3.3
149.13303	2.6
151.11194	2.1
153.09134	7.3
155.08600	1.1
156.09297	1.1
157.10120	7.6
158.10892	1.2
159.11714	6.0
161.09622	1.9
161.13260	1.5
163.11186	2.7
163.14828	1.3
165.12752	1.8
169.10135	3.0
171.11665	5.8
173.09665	1.4
173.13263	7.5
175.09901	0.6
175.11218	3.6
175.14838	1.6
177.12779	2.6
181.10130	0.8
183.11703	2.7
185.09630	0.8
185.13277	6.2
187.11128	0.9
187.14841	2.5
189.12747	1.7
189.16472	0.8
191.14325	6.3
193.10423	0.7
193.12154	3.0
194.10695	0.7
195.11694	2.5
197.13269	3.0
199.14842	3.2
201.12755	1.6
201.16391	0.8
203.14352	1.2
205.15930	0.6
207.13821	0.6
209.13303	2.4
211.11227	0.9
211.14812	2.3
213.12788	0.9
213.16373	1.4
215.14281	1.0
217.16000	1.0
221.13219	1.5
223.14880	2.0
225.16408	1.8
227.14238	0.9
227.17892	1.3
235.14815	1.4
237.16301	1.1
239.18007	1.2
241.15924	1.1
251.17992	1.5
253.19621	0.7
255.17485	1.8
257.19098	1.4
259.16907	2.8
269.19141	1.3
271.20651	2.2
281.18973	1.4
283.20486	1.0
295.20682	1.0
297.22253	1.1
309.22183	3.6
313.21658	1.2
323.23636	1.1
327.23257	2.1
337.25256	4.9
338.26248	0.9
339.27158	0.7
352.61093	0.6
355.26285	3.6
372.04572	0.7
405.31479	0.9
415.30029	1.5
423.32303	1.1
433.31006	9.8
451.32108	100.0
452.32568	1.3
456.58777	0.7
469.23267	4.9
469.33130	6.3
483.05728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.08240	1.1
53.03936	1.6
55.05507	12.2
57.07067	2.0
62.71952	1.0
67.05504	17.5
69.03440	2.1
69.07069	14.9
69.27942	10.4
79.05494	6.8
81.07059	22.6
83.04985	11.7
83.08623	5.7
90.94354	1.1
91.05475	7.8
92.13190	1.2
93.07040	16.8
95.04902	1.6
95.08608	52.1
97.06550	1.4
98.80811	1.3
99.49303	1.1
105.07035	11.2
107.08598	16.4
109.06505	2.9
109.10159	20.4
111.08063	5.6
117.07014	2.1
119.08574	15.3
121.06528	9.8
121.10143	15.4
123.08089	8.4
123.11702	18.5
129.07022	2.1
131.08577	5.2
133.06512	1.5
133.10127	10.5
135.08118	1.6
135.11694	3.4
137.09593	3.4
142.07793	1.5
143.08571	5.2
145.10146	11.4
145.96947	1.1
147.08051	2.4
147.11650	6.7
149.09570	5.7
149.13303	1.7
151.11197	4.6
155.08557	3.3
156.09308	1.5
157.10121	11.6
159.08055	1.6
159.11693	11.7
161.09650	3.8
161.13257	4.2
163.11160	1.2
163.14827	1.6
165.09047	1.7
169.10104	5.4
170.10886	2.0
171.11659	6.7
173.09615	3.7
173.13199	7.0
175.11148	3.5
175.14824	2.3
177.12714	1.3
181.10130	1.9
182.10849	1.3
183.11694	7.0
185.09592	1.6
185.13261	10.8
187.11174	2.5
187.14819	6.6
189.12709	1.9
189.16380	1.6
195.11739	1.6
197.13271	5.0
199.14818	5.7
201.16483	2.3
203.14282	2.6
203.17886	2.4
207.13809	2.2
209.13239	2.4
211.14835	4.1
213.12733	2.6
213.16313	3.0
215.14381	2.9
223.14862	1.5
225.12904	1.6
225.16394	24.3
227.14386	2.1
227.17973	7.9
229.15817	2.1
229.19701	2.4
237.16304	2.7
239.18068	1.5
241.15753	1.4
243.17380	2.1
243.21092	1.6
251.17972	1.5
252.23940	1.2
253.19487	1.8
267.21286	1.5
271.20685	1.2
281.22614	1.6
291.20999	1.3
309.22156	4.7
327.23145	9.2
353.24698	1.5
355.22748	1.3
381.24103	5.2
423.32819	5.9
433.31003	4.3
451.32086	55.0
469.33163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3313
Annotation	Pachanol B
Peak:m/z	Relative Intensity
54.13075	1.8
55.05509	11.4
67.05504	19.6
69.07065	14.4
69.41633	16.2
79.05495	13.2
81.07060	29.8
83.04974	3.2
83.08624	3.0
85.06537	4.3
91.05482	15.7
91.95914	1.8
93.07047	33.2
95.04950	3.6
95.08608	33.5
97.06548	6.1
99.08080	2.7
105.07023	28.1
107.08594	35.3
109.06506	8.6
109.10155	22.3
111.08070	8.8
117.07021	6.8
119.08585	40.5
121.06474	7.0
121.10130	25.0
123.08069	13.3
123.11692	10.9
125.09618	3.6
129.06996	7.2
131.08569	18.2
133.10130	20.9
134.98175	10.7
135.08031	6.4
135.11662	10.4
137.09592	11.2
137.13213	1.9
142.07780	4.8
143.08531	17.4
144.09354	3.1
145.10135	30.9
147.07994	6.1
147.11670	20.9
149.09576	6.8
149.13219	3.6
151.11154	5.0
155.08507	10.9
156.09285	5.2
157.10127	24.4
158.10933	2.3
159.08086	2.2
159.11682	46.2
161.09636	7.7
161.13264	15.4
163.11183	6.9
163.14795	2.3
165.09091	2.8
165.12732	2.4
168.09352	4.4
169.10120	18.8
171.11664	22.6
173.09564	5.0
173.13258	33.7
175.11075	4.8
175.14821	4.8
175.61765	1.9
177.12692	4.2
179.08519	2.7
181.10098	6.4
182.10924	4.9
183.11696	25.8
185.13284	18.3
187.11221	5.0
187.14816	10.4
189.12790	5.4
189.16339	2.9
193.10147	4.8
194.10834	3.2
195.11722	12.9
196.12509	2.7
197.13254	15.5
199.14851	11.8
201.12762	6.1
201.16403	4.1
203.14270	2.9
206.11044	2.1
207.11661	7.4
208.12479	2.5
209.13272	11.5
210.14049	4.5
211.14775	11.9
213.12682	3.9
213.16370	7.0
215.14319	9.1
217.15800	4.8
220.12585	2.3
221.13217	8.1
223.14830	28.9
225.16409	35.5
227.14310	4.9
227.17874	6.4
229.15875	3.8
233.13164	2.0
235.14774	7.1
237.16406	7.7
239.17950	3.7
241.15858	3.6
243.17471	2.7
247.14891	2.6
249.16364	9.0
251.17883	8.4
253.15895	3.9
253.19492	4.6
255.17404	4.6
255.21106	2.6
257.19049	2.4
261.16379	3.1
263.17960	4.5
265.19513	2.4
267.17499	5.5
267.21204	4.6
269.19022	3.5
277.19150	2.3
279.21219	4.9
281.19110	2.3
281.22614	4.8
288.62674	2.2
291.21112	18.3
293.22510	3.6
295.76138	2.3
297.22055	18.9
301.21591	2.5
307.20551	4.4
309.18576	3.2
309.22110	57.6
311.60516	2.5
319.24051	2.4
320.05252	2.0
325.21555	2.4
327.23178	100.0
335.25711	3.1
339.23074	2.9
349.25189	4.2
357.24173	3.0
367.26224	2.1
403.29803	3.9
405.31696	3.3
415.29813	7.1
421.31015	15.1
423.32629	5.6
433.30954	25.3
439.32019	9.5
451.32050	59.8
469.22784	7.7
469.33081	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	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03944	1.1
55.01879	1.1
55.05524	6.1
57.03422	1.3
57.07054	1.7
59.05005	6.1
67.05515	6.6
68.44965	1.1
69.03421	2.4
69.07066	4.9
69.23750	6.2
69.24179	3.6
70.21217	1.1
71.04980	3.4
77.01196	1.1
79.05495	6.9
81.03452	1.2
81.07045	11.0
83.04984	2.3
83.08614	2.9
85.02907	3.2
85.06520	1.4
91.05486	9.0
93.07049	12.5
93.18303	1.0
95.04953	4.0
95.08616	11.8
97.06512	5.2
97.10152	1.9
98.20789	2.4
99.04481	1.6
105.03378	2.3
105.07034	16.2
107.08588	12.8
109.06506	2.9
109.10185	7.5
110.59464	1.1
117.07016	3.9
119.08582	20.6
121.06526	2.6
121.10136	9.1
123.08083	2.6
123.11672	2.9
128.06265	2.4
129.06990	4.2
131.08577	14.1
133.10136	18.1
135.08070	2.0
135.11684	4.6
139.07516	3.3
141.06998	2.2
142.07770	3.6
143.08565	12.3
145.10138	17.8
147.08034	2.2
147.11700	7.5
149.09612	3.1
149.13255	1.6
155.08560	5.2
156.09378	3.8
157.10150	21.4
158.10916	1.3
159.08151	1.7
159.11707	14.1
161.09576	2.5
161.13261	4.7
163.07426	1.2
163.11218	2.6
165.07004	1.6
167.08539	2.7
168.09386	1.9
169.10170	11.4
170.10855	2.4
171.08122	2.1
171.11703	14.9
172.12503	1.7
173.09631	3.3
173.13284	11.6
175.11203	2.0
175.14784	2.6
177.12778	1.2
179.08620	2.0
180.09373	2.1
181.10181	6.1
182.10938	2.0
183.11707	15.2
184.12514	3.0
185.09610	2.3
185.13274	14.3
187.11172	2.3
187.14813	6.6
191.10667	1.2
191.14333	1.8
193.10143	3.8
193.11978	1.8
195.11707	7.7
196.12483	2.4
197.09628	1.3
197.13280	17.3
199.11209	3.1
199.14827	23.7
201.16376	7.7
205.10164	1.3
205.12064	1.0
207.11781	5.1
207.13599	1.2
208.12598	1.7
209.13260	10.1
210.14046	2.4
211.11227	2.5
211.14825	8.5
213.12813	3.2
213.16446	4.3
215.17973	4.0
217.10326	1.3
217.15884	1.7
219.11780	2.8
219.17438	1.8
220.12450	2.3
221.13342	5.3
222.14012	1.4
223.14819	7.9
224.15753	1.4
225.16412	12.5
227.10669	1.5
227.14352	1.8
227.17996	5.9
229.12379	1.1
229.15930	1.4
231.11725	1.6
233.13268	2.5
234.14050	2.6
235.14824	5.1
236.15582	1.5
237.16418	5.5
239.17929	9.7
241.19618	2.5
243.17532	2.4
244.12404	1.4
245.13284	1.8
245.18965	1.8
247.14885	3.5
249.16379	7.0
250.17082	2.0
251.18016	8.7
253.19527	3.7
255.21138	2.4
258.19873	1.4
259.20538	1.8
261.16351	2.9
263.18033	4.3
264.18695	1.6
265.15927	1.2
265.19543	5.6
267.13751	1.2
267.17407	1.1
267.21054	3.2
269.19080	1.9
271.20413	1.3
275.17947	2.8
277.16180	2.1
277.19492	4.4
278.16708	1.2
278.20279	1.5
279.17545	1.6
279.21082	4.7
281.19177	1.5
289.19595	1.8
291.17645	2.0
291.21060	4.6
293.19385	2.0
293.22668	6.8
294.23425	3.0
295.20633	2.8
295.24225	3.6
303.21100	2.2
305.22607	2.2
309.22156	8.1
310.23105	1.5
311.20236	1.7
311.23654	12.9
313.25174	1.5
317.22906	2.0
319.20660	1.7
319.24277	4.1
321.22153	2.7
323.20108	3.6
329.22522	1.2
333.25824	2.4
335.23743	1.3
336.24463	4.8
337.21603	2.0
337.25296	2.2
343.24283	2.4
349.21683	1.4
351.19885	1.6
351.26837	3.2
361.25259	7.5
373.13345	1.2
375.26584	1.6
379.26385	16.2
391.18924	1.9
393.27896	27.0
397.27502	6.8
405.31638	1.3
409.19928	3.8
411.28851	11.1
423.21997	1.6
423.32855	2.2
433.31061	20.2
451.32104	100.0
469.22586	16.5
469.33145	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Pachanol B
Peak:m/z	Relative Intensity
55.05515	7.4
57.07079	2.0
67.05513	9.7
69.03452	1.4
69.07076	11.8
79.05492	8.0
81.07070	15.9
83.08611	6.2
91.05480	10.3
91.65408	1.4
93.07057	22.7
95.04956	1.5
95.08611	27.8
97.06526	2.7
97.10162	2.2
99.08092	4.4
105.07044	15.7
107.08583	18.7
109.06535	2.7
109.10163	13.6
111.08131	2.4
115.05367	1.7
117.07040	4.8
119.08595	21.9
121.06517	3.5
121.10153	41.4
121.11021	2.4
123.08095	10.5
123.11691	11.3
125.09597	8.4
129.07021	2.9
131.08569	10.4
133.10149	16.3
135.08067	3.0
135.11694	5.3
137.09607	6.9
139.11157	2.4
141.06984	1.8
142.07813	4.3
143.08566	11.6
145.10124	21.5
147.11682	11.0
149.09633	26.2
149.13268	2.9
151.11188	5.6
155.08568	6.3
156.09346	4.0
157.10139	45.6
158.10941	1.9
159.08076	2.7
159.11716	18.6
161.09589	3.1
161.13303	9.0
163.11185	3.1
163.14857	3.0
165.12721	7.5
167.08534	2.0
168.09406	1.6
169.10136	9.0
170.10939	1.6
171.11707	26.5
173.09723	1.5
173.13277	12.3
175.11179	8.0
175.14806	2.0
177.12781	3.7
177.16446	2.4
181.10088	3.2
183.11716	13.1
185.13277	15.3
186.14043	2.9
187.11160	4.9
187.14839	5.0
189.12732	3.6
191.14180	1.7
193.10152	2.8
195.11734	6.3
196.12523	1.6
197.13239	10.9
199.11150	2.7
199.14845	10.0
199.63873	1.6
201.12784	7.9
201.16505	1.9
203.14236	3.6
207.11731	4.6
208.12413	2.4
209.13261	5.6
211.11336	1.5
211.14880	11.1
213.12723	2.1
213.16394	4.0
215.14258	2.2
220.71544	1.6
221.13312	3.4
223.14809	14.5
225.12727	1.7
225.16394	8.7
227.14366	2.7
227.17886	2.0
229.15921	2.5
233.13217	2.5
235.14848	3.5
237.16492	3.8
239.14207	1.7
239.17941	5.0
241.15929	2.9
243.17519	4.4
249.16554	3.8
251.17958	3.4
253.15886	3.9
253.19461	2.6
255.17470	3.9
257.19019	21.7
263.18073	2.7
265.19470	2.5
267.17529	4.0
267.21103	4.4
269.19070	8.7
271.20609	2.2
277.19623	2.1
281.22711	1.7
283.20572	2.5
291.21072	9.6
295.20413	3.0
299.19977	3.5
307.20731	1.9
309.22144	99.0
310.22662	3.5
311.23697	3.6
325.21527	1.8
327.23190	28.5
335.23611	2.2
353.24823	3.4
377.24252	1.8
405.31705	7.2
405.36578	1.4
415.29919	4.1
423.32721	3.1
433.31137	31.4
451.32089	100.0
469.33173	47.9
469.38736	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
54.92611	2.0
55.01876	5.4
55.05515	17.7
57.07050	6.2
67.05508	28.1
69.03422	5.4
69.07069	16.8
69.21267	14.5
69.21690	7.1
71.04990	8.2
79.05504	27.4
81.07062	70.7
83.04988	13.2
83.08616	8.8
85.06551	2.6
85.82307	2.5
91.05490	38.9
93.07050	72.6
95.04959	10.1
95.08613	83.1
97.06525	5.1
97.10171	3.2
98.21465	4.5
99.08114	2.7
105.07037	66.2
107.07880	4.2
107.08603	76.1
109.06524	9.6
109.10168	55.2
111.08093	35.5
113.09653	5.3
115.05489	3.3
117.07029	15.4
119.08587	73.0
121.06480	2.7
121.10155	63.6
123.08088	7.5
123.11715	15.2
125.09652	4.9
128.06218	4.0
129.07019	10.9
130.07803	3.1
131.04890	4.0
131.08572	43.2
133.09106	3.8
133.10139	65.2
135.08060	6.4
135.11711	32.6
137.09616	7.9
137.13231	3.6
139.07556	10.4
139.11208	4.1
141.06947	3.4
142.07808	5.8
143.08575	21.0
144.09367	7.3
145.10132	64.3
147.08076	11.9
147.11690	47.9
149.09624	7.3
149.13274	54.8
151.11201	3.6
155.08578	9.7
156.09337	7.2
157.10123	32.4
159.08035	8.8
159.11699	67.8
161.09657	12.9
161.13280	41.7
163.07556	5.7
163.11166	7.2
163.14891	12.6
165.12741	2.5
167.08521	3.4
169.10152	15.0
170.10977	3.1
171.08080	4.0
171.11720	21.8
173.09618	7.5
173.13281	41.6
175.11177	5.6
175.14841	24.9
177.09128	9.3
177.12785	5.9
177.16415	18.7
179.08588	4.2
181.10168	8.2
183.11702	15.3
185.09686	4.4
185.13264	32.8
187.11217	4.9
187.14842	30.6
189.09161	3.8
189.12756	7.9
189.16386	46.9
191.10739	4.4
191.14314	3.7
191.18047	7.5
193.10104	2.5
195.11703	10.3
197.09634	3.3
197.13252	15.6
199.11197	3.7
199.14824	21.0
201.12813	7.5
201.16399	36.3
203.14351	13.7
203.17973	20.5
205.15962	3.5
207.11684	5.1
207.17467	14.3
208.12355	2.6
209.09662	2.6
209.13350	11.9
209.15074	2.3
211.14813	10.7
213.12762	8.5
213.16402	19.5
215.14392	7.1
215.18011	18.8
217.12355	3.3
217.15779	5.1
217.19618	6.1
219.17442	4.5
221.13281	3.0
223.14864	12.2
225.16376	14.3
227.14398	5.5
227.17996	9.6
229.15932	3.6
229.19507	2.6
231.11739	2.9
231.13809	5.7
233.18987	5.5
235.15018	4.3
237.16374	7.5
239.18048	9.2
241.19585	3.8
243.13831	4.4
243.17497	6.5
245.15411	10.3
245.19034	8.2
249.14690	4.7
251.18024	11.3
253.19566	14.3
255.21098	9.2
261.14886	7.8
265.19641	4.2
267.21027	2.8
269.19083	4.0
271.20584	5.6
279.21371	5.2
281.18997	2.9
281.22589	5.0
283.24130	6.6
291.20950	3.7
293.19498	3.2
293.22702	9.9
295.20990	4.3
295.24146	24.8
297.22308	2.7
303.19510	3.8
307.24173	5.5
309.22183	7.9
309.25528	2.6
311.23691	17.9
313.25159	11.4
315.19595	4.0
321.25412	3.0
325.25302	2.9
327.23279	9.9
329.24939	3.8
337.21713	3.0
337.25381	5.5
339.23260	3.4
349.25150	3.2
357.24203	3.5
379.26120	4.0
393.27258	3.1
393.31863	2.9
394.11166	2.4
397.27298	3.2
405.31567	10.6
411.28592	15.9
411.33536	2.7
421.31049	5.7
423.32819	16.4
433.31186	20.6
439.32083	41.5
441.33740	4.7
451.32111	80.4
454.39725	2.8
469.23203	14.0
469.33154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3318
Annotation	Dubione B
Peak:m/z	Relative Intensity
53.03937	2.2
55.05512	14.8
57.07066	5.6
59.05000	3.4
67.05510	20.7
69.03430	5.0
69.07072	18.2
70.99520	3.6
71.04990	6.3
71.08644	2.2
73.06558	5.2
79.05499	15.0
80.07172	1.8
81.03413	2.1
81.06580	2.8
81.07060	48.2
83.04989	5.4
83.08618	11.1
85.06525	4.3
91.05482	16.7
93.07051	38.1
95.04976	5.6
95.08616	48.4
97.06529	6.5
97.10169	6.3
99.08105	6.5
105.07039	36.1
107.08604	35.7
109.05865	1.3
109.06541	5.8
109.09452	2.6
109.10165	33.9
111.08089	11.3
113.09653	2.7
115.05490	1.9
117.07034	10.7
119.08595	44.1
121.06481	2.6
121.10160	35.7
123.08064	13.5
123.11705	18.9
125.09614	7.2
127.11231	1.7
129.07043	4.3
131.08575	22.5
133.10141	34.7
135.08064	4.1
135.11688	12.7
137.09636	7.9
137.13266	2.2
139.07565	3.3
139.11177	7.4
141.06931	1.5
142.07822	2.5
143.08560	15.0
144.09351	2.0
145.10136	33.6
147.08041	1.7
147.11694	24.0
149.09608	4.1
149.13272	12.8
151.11200	5.7
155.08585	6.9
156.09366	2.3
157.10150	18.1
157.12216	2.3
158.10893	3.0
159.07942	1.3
159.11713	46.8
161.09665	5.4
161.13274	24.2
163.11221	4.5
163.14850	4.0
165.12773	6.1
167.10712	2.9
169.10144	9.8
170.10954	2.9
171.11696	21.1
173.09616	2.4
173.13280	27.6
174.14107	1.4
175.11208	3.8
175.14822	8.5
177.12766	12.2
177.16266	2.7
179.14330	4.7
181.10153	3.7
183.11710	13.3
185.13281	17.9
187.11194	4.9
187.14845	22.0
189.12755	5.8
189.16353	8.4
191.14328	6.0
194.06425	1.4
195.11743	5.7
195.13670	1.5
197.13326	11.5
199.14812	14.7
201.12737	8.2
201.16333	13.1
201.17760	1.3
203.14323	10.4
203.17989	5.3
205.15926	3.3
209.13261	5.4
211.14854	10.3
212.15393	1.4
213.16409	12.2
215.14381	3.3
215.17935	6.9
217.15897	6.6
217.19438	2.8
219.17482	2.3
221.13292	2.4
223.14876	7.0
223.16870	2.3
225.16357	11.5
227.14447	2.0
227.18044	17.3
229.15984	3.4
229.19460	3.8
231.17467	5.6
235.14908	2.2
237.16454	4.1
239.17926	8.4
241.16122	1.7
241.19493	3.0
243.17557	5.6
245.19026	34.1
249.16476	2.0
251.17955	3.2
253.19458	6.6
255.17586	3.2
257.19080	11.2
259.20685	2.3
263.18054	2.2
265.19504	2.2
267.21078	4.2
269.19174	3.6
270.20291	1.5
271.20639	8.3
273.22046	1.6
279.21008	2.2
281.19208	1.6
281.22293	2.3
283.20819	3.2
285.22156	8.2
293.22693	4.5
295.20978	2.1
295.24216	5.1
297.22205	6.2
307.20792	1.9
307.24228	3.9
309.22116	7.3
311.23700	43.0
312.24533	3.2
313.25006	8.4
315.27957	1.6
323.23865	2.1
325.21823	2.4
325.25302	13.8
335.23669	1.4
337.25412	4.7
339.26953	4.9
349.25095	2.9
351.26889	6.3
367.26266	2.1
369.27927	2.9
381.31546	6.3
395.33203	3.9
397.27420	9.2
405.31595	16.2
423.32639	25.8
433.30997	8.8
441.33670	12.8
451.32123	35.7
469.33179	100.0
470.33459	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.05508	3.7
57.03435	3.8
57.07082	2.5
59.05003	6.7
60.64063	1.6
61.02940	2.2
62.77637	1.6
65.60156	1.6
67.05512	7.2
69.03436	10.2
69.07074	9.7
70.06581	3.4
71.04998	26.3
71.28188	2.7
73.02928	2.1
74.75816	1.5
79.05507	12.7
81.03426	17.0
81.07062	42.9
83.04988	3.8
83.08635	2.4
84.37723	1.9
85.02910	12.8
85.06542	3.9
91.05479	5.5
93.07056	14.8
95.04978	9.2
95.08616	18.9
97.02898	15.3
97.06536	13.7
99.04472	3.9
103.03957	2.4
105.07043	9.3
107.04977	2.4
107.08601	20.7
109.02917	11.0
109.06592	2.0
109.10179	6.3
111.04468	3.7
111.08087	2.0
119.08601	4.8
121.06538	4.4
121.10153	100.0
123.08071	3.0
123.11712	25.1
125.05997	14.0
125.09626	17.1
127.03935	16.8
127.11156	3.0
133.06435	1.5
133.10147	2.2
136.07610	2.4
137.05968	2.5
137.09651	2.1
137.79982	1.4
139.11188	36.4
143.10692	7.5
145.04999	5.7
146.84808	1.6
149.09630	16.8
163.13365	1.6
164.07085	2.3
167.10693	65.3
169.10085	1.8
185.11732	46.3
185.15347	2.3
187.05998	2.9
189.09149	1.8
197.05406	1.7
203.07045	1.8
227.12804	3.3
229.11967	2.0
231.17618	1.6
235.16986	2.1
239.12871	3.9
243.15027	3.4
243.89270	1.6
253.17867	3.4
271.14423	4.6
275.12875	2.7
289.15427	6.3
293.13818	11.1
307.12961	3.6
311.14923	37.4
329.15976	68.2
337.45367	1.6
347.16916	15.0
371.86560	1.8
433.20764	9.5
469.17154	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	469.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
53.12358	1.2
55.01858	1.2
55.05493	1.2
56.96564	6.7
57.03435	3.2
61.02916	3.5
62.28614	1.1
68.98277	1.2
69.03422	13.5
69.75172	3.2
69.75577	3.1
71.05010	1.6
81.03414	3.5
82.99864	1.8
84.04511	2.9
85.02434	2.2
85.02911	28.2
87.04453	1.4
95.04955	1.4
95.06137	1.3
97.02897	12.5
98.97581	13.8
99.04467	1.8
100.07603	2.1
101.00907	11.0
101.01540	1.7
102.05487	1.3
109.02877	3.4
110.97602	4.3
111.04422	1.4
113.00872	1.7
116.98620	4.8
119.01929	10.4
119.05017	1.2
125.05996	1.7
127.02451	3.2
127.03915	7.7
128.98639	1.7
129.05489	1.4
130.00255	1.3
130.04948	2.4
131.01927	4.1
137.05975	1.7
139.02365	2.3
141.03961	4.3
143.00154	3.4
143.01898	24.6
145.03458	4.4
145.04967	8.0
146.08142	4.6
146.99690	1.5
147.04431	1.8
147.08435	1.4
155.01875	10.2
157.03430	3.4
158.99690	5.9
159.05057	6.3
161.01213	4.1
161.02957	13.6
161.08035	1.4
163.04344	1.2
167.01936	7.1
167.05615	1.5
169.03468	32.7
170.99652	1.3
171.05043	3.6
173.02989	9.6
177.00658	1.6
177.05545	1.3
179.02029	3.1
185.01309	2.5
185.02953	22.4
185.04727	1.6
185.05289	1.3
185.06561	11.7
187.04524	100.0
190.04791	1.7
197.02908	7.9
199.04503	2.5
201.00728	2.6
201.06146	1.4
203.02249	3.3
203.03992	7.4
203.05695	1.8
205.05559	10.0
210.06174	2.5
215.03938	3.9
217.05528	4.1
219.01846	7.0
221.03174	2.0
221.05107	4.2
223.04529	2.5
227.03996	4.5
229.05573	35.2
237.02808	4.9
239.02167	1.9
243.07227	1.5
245.05083	56.8
247.06709	8.2
254.04697	1.4
257.05066	3.7
261.02997	1.4
261.08163	4.2
262.03568	1.2
263.06253	6.2
271.06708	2.1
275.06097	6.1
289.07843	11.9
295.04761	1.5
297.56726	4.4
298.06549	4.9
300.35135	1.1
305.07465	6.9
307.08792	16.7
311.81424	1.6
323.06363	2.1
325.09863	1.4
336.10684	2.3
338.20172	1.2
342.61041	1.6
346.02606	1.2
349.09814	40.7
361.09744	10.6
365.08929	4.5
379.10745	2.4
409.13037	1.5
469.13602	5.9
494.67270	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.8
58.15614	0.5
58.70468	0.5
69.03429	4.0
70.06555	0.6
71.54174	0.7
71.54554	0.9
82.99415	0.8
82.99860	2.5
84.04498	1.0
85.02911	3.0
86.99350	0.9
97.02885	2.0
98.97605	2.7
100.07607	2.4
101.00881	9.2
101.07928	0.6
110.97556	1.2
113.00855	2.0
116.98550	0.6
119.01926	8.4
127.02418	2.1
127.03895	1.2
130.05008	1.2
131.01918	2.3
133.03535	0.9
139.02354	0.8
141.03958	3.0
143.00214	0.7
143.01900	15.9
145.03554	6.3
145.04787	1.1
146.08133	4.3
147.01363	1.0
147.04518	0.7
147.08464	1.1
155.01907	9.7
157.03508	3.0
157.81223	0.5
159.05040	5.5
161.02957	9.1
163.04547	1.3
167.01897	5.6
167.05542	2.2
169.03447	28.1
171.05008	2.2
173.02974	7.6
175.04510	1.1
177.05377	1.3
179.01837	1.9
181.03484	0.7
183.05070	1.0
185.02975	15.1
185.04698	0.8
185.05055	0.9
185.06595	11.7
187.04526	100.0
188.04643	1.3
191.02135	0.8
191.03889	1.0
197.02943	6.2
199.04619	2.7
201.06065	1.7
203.03999	4.4
203.07640	1.2
205.05580	7.5
210.06134	1.9
211.04663	0.9
215.04001	2.6
217.05534	3.2
221.05078	2.4
227.04021	4.2
229.05583	31.2
230.05634	0.8
237.02934	0.9
241.05621	0.8
243.07201	1.7
245.05080	43.7
246.05270	1.4
247.06621	8.7
254.76483	0.6
257.05051	2.7
259.06656	0.7
261.08240	2.5
263.06116	5.7
271.06543	1.9
275.06122	6.4
277.07666	1.2
289.04724	1.0
289.07706	13.1
293.07285	1.0
294.17883	0.6
298.08783	1.7
305.07251	4.8
307.08752	18.5
325.09744	1.7
335.08344	1.8
349.09796	39.3
354.87766	0.5
361.09805	13.1
362.09915	0.8
365.09488	3.5
367.10751	1.4
379.10822	2.5
469.13568	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	468.244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54948	1.8
55.05510	2.7
65.04198	1.9
67.05494	6.8
69.03433	3.9
69.07061	6.4
70.06586	1.8
70.67495	5.7
70.79597	1.6
71.05000	3.4
74.12531	1.6
79.05501	9.6
81.07060	21.6
83.04977	9.7
85.02892	7.3
85.06538	2.9
86.03242	2.7
86.09695	4.9
91.05487	4.1
93.07048	22.2
95.04958	7.1
95.08604	16.5
96.97742	1.7
97.02891	4.4
97.06528	13.5
99.04487	10.2
104.10751	4.9
105.07031	13.8
107.04987	3.3
107.08611	15.5
109.02879	2.4
109.06529	14.3
111.08083	7.6
113.05981	2.3
119.08604	9.0
121.06515	43.2
121.10123	3.0
123.04435	2.5
123.08089	2.5
123.11726	3.8
125.05973	8.2
127.03904	2.3
127.07542	5.1
129.07083	1.8
131.08566	3.5
133.10146	8.8
135.04477	2.5
135.08089	4.1
139.07561	11.6
143.07014	8.1
143.08534	4.1
145.05005	2.0
145.10156	2.7
147.08116	2.3
147.11681	26.5
149.13304	2.3
151.11185	3.1
157.08618	7.4
157.10089	9.3
159.06519	2.1
161.13232	7.6
165.12752	8.9
167.10670	2.8
169.12228	5.6
171.11691	7.3
173.08180	2.0
173.09535	2.3
175.11189	17.0
184.07330	7.3
189.12738	10.9
191.08092	3.2
193.12236	12.6
199.11227	15.1
207.13805	8.6
211.13271	14.6
217.12231	43.3
229.14372	6.4
230.05406	2.0
235.13309	57.2
253.14363	100.0
271.15387	22.1
289.16422	20.8
303.05020	6.7
304.05334	19.4
305.05551	15.8
306.05798	26.3
421.27533	2.0
430.59189	2.3
468.23416	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	468.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39354	2.3
51.62926	2.0
53.03936	4.7
55.01862	4.7
55.05511	6.3
55.74538	2.0
57.03429	3.2
58.99581	8.4
59.04998	5.8
61.02916	6.0
64.38609	1.9
67.05518	9.6
68.99789	3.5
69.03426	22.5
69.07066	7.7
70.06623	1.9
70.69544	5.3
71.04994	19.0
73.02914	2.3
74.78830	2.2
79.05499	16.0
81.03417	12.5
81.07059	36.8
82.06570	2.3
83.04997	4.1
83.08636	2.4
84.04479	4.9
85.02919	16.9
85.06553	3.0
86.06063	13.1
86.09700	2.6
87.04488	3.8
91.05465	9.3
93.07053	20.8
95.04975	13.9
95.08610	16.8
95.61758	2.4
97.02903	17.7
97.06537	9.3
97.10211	2.5
98.06026	2.3
99.04441	5.4
103.03947	2.9
105.05502	3.6
105.07006	14.0
107.08597	29.6
108.08129	25.2
109.02893	16.1
109.06499	6.7
109.10172	10.0
109.37671	2.2
110.09714	2.5
111.04472	5.0
113.06023	5.6
115.03915	7.2
116.01685	15.8
119.08591	8.4
121.06505	3.9
121.10143	80.1
123.04411	4.4
123.08067	3.4
123.11717	27.4
125.02303	10.4
125.06016	12.4
125.09621	10.8
126.03749	3.9
126.09072	2.8
127.03910	19.4
127.07539	2.5
127.11182	11.1
129.01805	3.0
130.05000	5.2
131.06999	2.9
131.08557	4.1
133.10130	6.7
134.09639	2.8
135.11681	2.1
135.40755	2.4
137.05994	4.6
137.09610	3.5
139.03922	4.4
139.07590	2.3
139.11183	21.6
142.03217	6.9
143.03406	14.4
143.07112	2.1
143.08485	3.6
144.01131	4.9
144.04784	4.6
145.04936	4.1
145.10173	3.8
147.08051	2.5
147.11653	2.6
148.11203	2.6
149.09615	21.4
149.13216	6.5
151.07561	3.1
153.01837	100.0
157.10172	2.4
161.09650	3.5
161.13263	14.1
162.02155	5.5
163.14769	6.2
165.12817	2.8
167.07069	2.4
167.10681	64.4
167.14336	17.9
171.02863	5.9
176.14270	3.3
178.15910	5.1
181.04869	2.9
183.10197	2.1
184.07372	3.7
185.04486	22.2
185.11736	44.8
185.13396	2.5
191.14299	3.4
205.15918	2.1
209.15410	4.9
217.15958	2.2
220.09685	4.2
227.16383	16.8
235.16945	5.3
245.06001	5.8
245.17505	3.9
247.07407	5.7
253.17987	8.6
271.18982	2.2
279.04938	2.8
290.17792	2.3
291.06372	6.5
293.13608	2.5
297.06088	13.6
303.05093	4.6
304.05359	9.5
305.05640	7.6
306.05713	14.3
306.13440	2.3
311.15042	15.5
315.07034	3.1
329.08737	14.5
329.15930	61.7
393.18741	2.3
398.13596	4.9
424.22647	22.3
468.15268	3.0
468.21613	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	468.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.5
55.01878	13.7
57.07088	7.3
58.99566	1.7
59.05003	3.6
61.01152	4.0
62.07259	1.3
67.05491	6.1
69.03435	26.6
69.07075	7.8
70.02940	5.7
70.06584	4.6
71.04974	4.3
71.05634	3.4
72.04150	2.5
72.04522	31.1
72.08145	1.4
73.02925	15.4
74.02418	1.9
76.02232	12.2
78.03800	9.6
79.37391	1.6
81.03424	21.2
83.04979	6.1
85.02921	10.7
85.06551	11.2
86.06047	2.3
86.09694	5.1
87.08103	4.4
88.02193	3.0
89.49477	1.5
90.05557	46.0
95.04964	10.1
96.08105	3.4
97.02892	11.0
98.02430	24.5
98.06043	2.3
99.04465	7.6
100.03991	8.1
101.98547	1.2
102.03772	15.6
102.31341	1.5
103.03926	2.7
103.07570	4.7
107.08608	2.3
109.02892	31.7
112.07590	2.3
113.06012	7.9
114.03756	6.3
115.03981	1.5
116.03464	23.7
116.05276	1.7
120.04811	2.1
124.07600	29.5
127.02114	1.7
127.03925	16.3
128.05333	8.1
130.08626	1.6
131.06361	6.7
131.07207	2.1
132.04793	6.3
132.06590	9.2
132.07410	1.7
134.49464	1.7
137.06078	1.8
138.05513	3.5
140.07088	7.4
142.08641	24.6
144.04788	8.4
145.04991	8.1
145.14009	1.4
149.07433	22.7
156.04698	2.8
156.10214	3.5
160.09695	5.1
166.08655	6.9
172.04289	3.9
172.09657	6.4
174.11267	6.5
181.04999	2.5
184.08162	3.1
184.09709	40.4
187.05968	2.2
190.05276	4.0
193.08650	1.6
198.07608	3.3
199.06036	4.4
202.10757	99.4
211.09686	8.1
216.06773	1.4
216.08656	7.6
217.07080	2.7
217.10083	2.3
220.09880	1.3
220.11795	27.9
230.10240	15.0
234.09752	10.9
244.11766	2.7
262.12881	19.1
272.10513	1.8
275.08719	3.0
310.12891	12.3
321.09323	6.1
328.13928	100.0
338.12027	79.2
346.14966	18.6
364.16061	45.7
450.17221	16.1
468.19873	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	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.3
57.03430	1.3
57.07080	29.4
59.04995	4.1
65.03938	2.4
67.05508	81.2
69.07061	7.1
69.33178	0.8
69.70939	5.4
71.04996	1.8
71.08640	19.6
74.55341	0.8
79.05469	2.7
81.07057	21.7
83.08631	12.2
85.06527	2.1
85.10186	10.6
91.05497	4.7
93.07039	2.6
95.08613	22.7
97.10165	3.8
98.21481	1.7
107.08585	2.1
109.10162	58.8
111.08062	1.9
119.08598	3.9
121.77689	0.9
123.11742	4.3
125.13266	1.0
137.09645	2.1
137.13231	1.2
155.10701	4.2
162.14232	1.1
173.11739	17.4
178.39902	0.9
221.22676	1.2
239.23653	7.9
244.01280	1.0
372.02133	0.9
467.37332	100.0
468.37445	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.2
56.92213	0.6
57.03436	1.2
57.07075	29.0
57.49464	0.7
58.07362	0.9
59.05011	3.2
59.05265	0.7
65.03935	1.6
67.05504	86.0
69.07072	7.1
69.60241	4.6
71.04977	2.6
71.08630	20.7
79.05489	4.0
81.07054	24.7
83.08621	13.6
85.06550	2.3
85.10187	10.6
89.06021	1.3
91.05478	5.6
91.64722	0.6
93.07047	4.3
95.08606	23.3
97.10181	3.7
99.08105	0.8
99.11710	0.7
105.07022	1.1
107.08614	3.3
109.10157	60.5
110.10469	0.8
111.08078	2.6
111.11706	1.2
111.23892	0.6
113.13281	0.7
113.49698	0.7
119.08577	4.9
121.10156	0.9
123.11683	3.2
133.10132	0.7
137.09624	2.6
137.13245	1.6
151.14789	0.9
155.10704	3.8
155.48683	0.6
164.99542	0.7
173.11737	20.4
239.23741	6.9
467.37335	100.0
468.37469	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.05513	19.8
57.07071	5.5
66.92321	2.0
67.05509	28.9
69.07077	21.2
71.04989	7.3
71.08614	2.2
79.05502	24.2
81.07065	63.4
83.04984	23.7
83.08622	10.6
91.04966	3.1
91.05486	34.2
93.07050	52.5
95.04964	5.2
95.08614	100.0
97.06521	2.9
97.10193	5.1
99.08079	5.9
103.05491	3.2
105.07031	63.5
107.08602	61.6
109.06519	9.5
109.09460	4.5
109.10165	58.3
111.08135	9.9
113.09672	5.8
115.05453	3.2
117.07020	17.7
119.08587	77.7
121.06522	3.4
121.10151	42.7
123.08070	7.2
123.11720	16.3
125.09622	4.0
128.06215	2.7
129.07001	10.8
130.07779	3.5
131.08577	45.6
133.10144	64.9
135.08049	9.0
135.11702	26.7
137.09613	7.1
137.13322	3.9
137.84898	2.0
139.07547	2.5
139.11169	3.4
141.06976	4.9
141.09120	2.6
142.07788	7.4
143.08572	28.8
144.09344	4.1
145.10132	71.7
147.08075	3.5
147.11707	44.6
149.05974	7.8
149.09604	7.4
149.13280	15.5
151.11148	7.4
153.09149	2.5
155.08568	9.8
156.09332	5.3
157.10150	31.1
158.10886	2.7
159.08067	8.2
159.11690	53.8
161.09641	9.1
161.13257	20.4
163.07516	3.8
163.11148	4.8
163.14821	8.9
167.08562	4.5
168.09315	2.1
169.10130	13.2
170.10843	3.4
171.08032	3.4
171.11711	23.1
172.12390	3.1
173.09618	6.2
173.13280	35.2
175.11209	4.5
175.14848	24.0
177.12878	3.1
177.16324	5.2
179.10660	2.9
181.10107	5.9
182.10931	4.4
183.11668	16.9
184.12485	3.1
185.09647	3.5
185.13293	25.2
187.11240	4.0
187.14836	47.5
189.12794	4.5
189.16396	73.1
189.18123	4.5
191.10657	2.2
191.14357	3.5
191.17969	2.4
193.10124	3.0
195.11702	8.4
196.12556	1.9
197.13278	17.9
199.11166	4.4
199.14865	27.7
201.12706	6.5
201.16402	41.4
203.10637	4.6
203.14352	6.0
203.17964	22.7
205.12209	12.2
205.15938	9.9
206.10938	4.6
207.11694	3.4
207.17393	5.4
207.58745	2.3
208.12555	2.4
209.13235	10.6
211.14798	13.5
213.12758	4.9
213.16400	16.1
215.14513	4.6
215.17993	26.8
217.15894	7.2
217.19574	4.3
219.11932	2.4
219.13829	9.6
219.17485	7.8
221.13216	4.7
221.15256	3.5
223.14862	9.6
225.16447	8.5
227.14342	3.5
227.17970	6.5
229.15858	8.0
229.19484	3.7
229.51591	2.3
231.13692	3.3
231.17436	3.9
233.15443	7.1
235.14795	2.9
237.16425	7.3
239.17978	7.2
240.40929	2.2
241.15872	4.7
241.19489	3.6
245.15469	14.6
247.17046	15.8
249.13110	1.9
249.16270	4.1
251.17981	6.0
253.19624	11.1
255.21172	2.9
259.16953	8.4
261.18530	6.7
263.17889	2.8
265.19479	4.3
267.17938	2.6
267.21030	2.8
271.20703	2.1
275.17786	3.4
279.17349	2.9
279.21219	4.8
281.18906	2.8
281.22534	3.8
293.19147	3.8
293.22641	12.0
295.24200	32.6
297.25748	3.0
299.20135	2.6
307.20569	7.4
307.23846	2.3
309.22064	4.4
310.28696	2.2
311.23737	14.3
321.25836	4.7
327.23398	3.5
331.24265	5.2
349.25183	7.3
367.26321	3.0
377.24808	4.0
379.26447	3.2
389.32391	4.2
391.33694	2.4
395.25922	15.6
407.33228	16.7
417.31366	12.7
421.30939	5.8
431.29407	6.0
435.32623	45.2
439.32281	2.5
449.29889	17.2
467.31299	65.0
467.35773	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
54.58742	0.9
55.05508	6.7
57.07078	1.3
67.05505	7.4
69.07068	9.8
69.71442	0.9
70.71912	2.9
73.06559	1.4
79.05481	5.4
81.07052	15.2
83.04976	1.1
83.08623	4.5
91.05486	8.1
93.07043	23.4
94.27423	1.0
95.08611	17.6
96.80824	0.9
97.06518	1.7
97.10176	2.9
99.08077	1.6
102.83878	1.0
105.07025	12.7
107.08588	17.8
109.06517	1.6
109.10158	14.3
111.08083	2.2
115.64862	1.1
117.07028	2.5
119.08582	17.8
121.06518	2.2
121.10156	13.2
123.08054	4.9
123.11713	10.4
125.09657	3.3
129.07039	1.6
131.08565	11.1
133.10132	12.4
135.08078	1.2
135.11705	6.3
135.98541	1.3
137.09619	1.8
137.13243	3.8
139.11209	1.8
143.08575	6.8
144.09338	2.1
145.10120	11.6
147.11681	10.1
149.09618	1.6
149.13235	4.2
151.11223	4.0
153.09108	5.6
155.08528	1.9
156.09297	1.4
157.10127	9.6
158.10811	1.1
159.11691	30.3
161.13268	7.5
163.11189	2.0
163.14845	4.0
165.12759	2.9
169.10136	4.8
171.11708	9.3
172.12573	1.0
173.13281	18.3
174.13998	1.2
175.11169	2.1
175.14839	3.5
177.12756	1.9
181.10130	2.5
182.10912	1.2
183.11705	5.9
185.13263	10.8
187.11221	1.5
187.14798	10.0
189.12781	3.0
189.16347	4.8
195.11703	3.6
197.13254	6.6
199.14813	6.0
201.12698	3.9
201.16406	4.7
203.14366	1.8
205.15910	1.1
209.13145	4.9
211.14810	6.7
213.12772	1.0
213.16338	6.3
215.14363	2.5
215.18086	1.4
217.61800	1.1
223.14830	5.8
225.16371	11.9
227.14311	1.5
227.17932	4.2
229.15834	2.2
229.19505	1.7
231.17395	3.4
235.14836	1.3
237.16399	2.4
239.18036	3.1
241.15846	1.2
243.17606	1.6
245.19029	2.7
250.17009	1.1
251.17981	3.4
253.19554	3.3
255.17549	1.6
255.21022	2.3
257.18997	4.4
265.19519	2.0
267.21045	1.2
269.19095	4.9
271.20615	5.1
279.20975	1.8
283.20541	4.2
283.24136	1.6
285.22186	4.0
285.41898	1.1
293.22598	6.1
297.22232	2.7
300.01703	1.1
309.22058	7.2
311.23685	100.0
312.24356	3.5
313.25351	3.8
349.25192	1.2
377.28586	1.9
406.95490	1.2
407.33121	8.2
409.83813	1.2
417.31534	10.0
435.32620	42.0
449.34152	4.2
467.35281	17.2
494.76364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3159
Annotation	Mastigophorene A
Peak:m/z	Relative Intensity
53.03938	0.9
55.01859	0.8
55.05516	2.7
57.03434	0.4
57.07053	0.7
64.65899	0.4
67.05505	6.3
69.03413	1.6
69.07069	4.4
69.21124	1.3
69.21537	2.2
71.04989	0.8
79.05492	3.1
81.03409	0.7
81.07057	7.2
83.04990	2.1
83.08614	1.6
83.61454	0.3
85.06526	1.0
91.05483	5.5
93.07040	7.6
95.04967	1.7
95.08608	8.9
97.06532	2.2
97.10171	0.6
99.08113	0.8
103.05463	0.5
105.07030	8.2
107.04939	0.9
107.08591	9.3
109.06536	2.4
109.10164	5.7
111.08057	2.5
115.05416	0.6
117.07045	2.1
119.08583	10.9
121.06508	2.5
121.10141	5.3
123.08084	5.8
123.11713	3.7
125.09639	1.9
128.06230	1.1
129.06985	2.1
130.07837	0.5
131.04907	0.8
131.08574	4.8
133.06505	0.7
133.10141	6.9
135.08075	3.5
135.11673	3.0
137.09627	6.7
139.07544	0.6
139.11179	0.5
141.06950	1.1
142.07785	2.0
143.08575	4.6
144.09320	0.9
145.06494	0.4
145.10130	7.9
147.08063	2.3
147.11674	4.3
149.09628	1.9
149.13264	0.9
151.11150	2.6
155.08574	2.5
156.09352	1.4
157.10130	11.0
159.08090	1.1
159.11697	6.8
161.09610	7.1
161.13275	1.7
163.07507	1.3
163.11208	1.5
165.09119	5.6
167.08597	1.1
168.09380	0.7
169.10136	3.9
170.10907	0.7
171.11688	7.2
173.09634	2.0
173.13251	2.8
175.11221	3.0
175.14816	0.9
177.12769	2.3
179.08604	1.1
179.10698	1.2
179.14258	2.6
180.09396	0.5
181.10114	2.7
182.10916	0.7
183.11700	5.6
184.12402	0.5
185.09654	0.9
185.13261	5.3
187.11205	2.0
187.14775	2.7
189.12764	2.0
191.14348	0.4
192.09488	0.4
193.10155	1.5
194.10938	0.8
195.11745	3.1
196.12471	0.7
197.09599	0.7
197.13272	5.3
199.11227	1.1
199.14822	1.9
201.12726	1.8
201.16432	1.0
203.10703	0.6
203.14340	1.7
203.18085	0.5
205.12212	0.6
206.10854	0.6
207.11687	1.5
208.12457	1.5
209.13254	3.8
210.13939	0.7
211.14836	3.1
213.12704	1.0
213.16347	1.3
215.14410	1.8
217.16011	0.7
218.10823	0.5
219.11737	0.5
221.13304	3.5
221.15219	0.7
222.13860	0.5
223.14780	5.6
225.12805	0.8
225.16444	2.3
227.14272	1.3
227.17961	1.1
229.15820	0.8
231.13846	0.5
233.13275	0.7
235.14807	1.6
237.12781	0.8
237.16354	1.3
239.14311	1.1
239.17986	0.8
241.15765	1.0
241.19548	0.4
243.17493	0.7
247.14832	1.7
247.17041	0.4
249.16472	1.9
251.14325	0.6
251.17969	1.1
253.15782	0.9
253.19560	0.5
255.17438	1.0
257.18967	1.5
259.14691	0.5
261.16357	0.9
263.17981	1.6
265.15823	0.7
265.19629	0.7
267.17487	1.1
267.20956	0.6
269.19016	2.2
271.20682	0.7
277.19510	0.9
279.17630	1.0
281.18967	1.3
283.20602	0.5
287.20184	0.8
289.19531	1.2
295.20538	5.6
297.18619	0.5
299.20038	0.5
305.15103	0.4
307.20541	4.9
309.22040	1.3
311.23575	0.5
313.21622	0.7
325.21606	9.4
327.23132	1.5
333.22360	0.5
337.21774	0.5
349.25302	0.9
351.23239	0.5
363.23212	0.7
365.24872	0.8
367.26373	1.5
377.24728	1.1
379.26282	0.6
389.20911	0.9
395.25778	3.4
403.29770	0.8
407.22122	0.9
407.33307	0.7
411.24625	0.5
413.28271	0.6
419.29480	1.3
421.31116	1.4
431.29437	2.6
437.30444	4.4
449.30405	9.9
467.31519	100.0
468.31857	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3158
Annotation	cholesterol sulfate
Peak:m/z	Relative Intensity
53.03958	1.1
55.05521	5.8
67.05505	6.1
69.03426	2.1
69.07077	7.3
70.71308	2.4
79.05521	5.7
81.07062	9.3
83.04980	3.7
83.08624	1.7
84.52025	0.9
86.87298	0.9
88.29542	0.9
91.05499	7.1
93.07053	17.6
95.04929	1.8
95.08617	15.7
98.19305	0.9
105.07035	9.7
107.08602	14.7
109.06518	2.8
109.10164	5.0
111.08112	1.3
115.05362	0.9
117.07032	2.4
119.08584	12.4
121.06517	3.3
121.10151	23.8
123.08094	3.3
128.06172	1.0
131.08577	4.8
133.10139	9.4
135.08067	2.1
135.11713	3.7
137.09612	4.1
139.11168	2.2
141.06924	1.0
142.07788	1.4
143.08563	7.3
144.09427	1.1
145.10136	10.0
147.08046	11.6
147.11676	4.4
149.09642	6.3
151.07542	2.0
155.08546	1.5
156.09372	1.2
157.10127	7.3
159.08080	3.9
159.11705	11.3
161.09631	4.2
161.13301	3.6
163.11179	1.6
165.09145	4.7
167.08623	1.1
169.10120	3.3
171.11728	4.8
173.09688	3.3
173.13287	2.8
175.11234	1.8
175.14828	1.8
181.10197	2.2
183.11713	3.9
185.09613	2.5
185.13278	6.1
186.08649	1.0
187.11191	2.0
187.14818	1.2
189.12718	1.2
189.16473	1.8
194.10818	1.1
195.11761	2.9
197.09746	1.2
197.13232	2.5
198.14040	1.2
199.11186	2.3
199.14810	7.3
200.15550	1.6
201.12772	3.0
201.16365	6.7
203.14381	1.3
209.13274	2.4
211.11243	1.2
211.14838	2.5
213.12775	2.5
213.16382	2.4
215.14429	2.8
217.12334	1.6
223.14873	2.9
225.12733	1.8
225.16396	1.6
227.14346	4.5
229.15851	1.6
233.15459	1.5
237.12746	1.2
241.15971	3.3
244.06474	1.1
249.16617	1.5
265.19604	1.3
267.17569	1.5
269.18808	1.1
275.18045	1.0
283.20517	5.4
286.19382	1.5
297.18829	1.1
307.20648	3.0
309.22095	1.1
325.21716	6.6
419.25766	1.3
421.30966	1.4
431.29462	1.5
449.30579	48.9
467.31613	100.0
468.31870	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3159
Annotation	Stellettin K
Peak:m/z	Relative Intensity
50.59041	1.0
53.03926	1.1
55.01863	1.0
55.05513	7.4
55.29865	0.9
57.07041	3.2
57.17097	0.8
58.55081	0.9
59.48875	0.8
61.28864	0.9
66.29834	0.8
67.05504	10.8
69.03390	2.8
69.07076	7.5
71.04948	2.9
71.55201	1.0
79.05487	8.6
81.03394	0.9
81.07059	21.7
83.04988	22.3
83.08619	5.7
85.06509	2.3
91.05478	11.8
93.07050	20.9
95.04919	3.7
95.08609	27.9
97.06492	4.0
97.10124	2.5
99.08059	2.1
105.07035	23.2
107.04931	1.6
107.08595	21.6
109.06521	5.4
109.09493	1.4
109.10159	19.3
111.08077	4.4
115.05446	1.3
117.07012	4.9
119.08589	27.1
121.06513	5.7
121.10152	15.7
123.08066	5.5
123.11684	8.0
125.09598	2.1
128.06198	2.2
129.06956	4.0
131.08577	14.7
133.10141	17.6
135.08064	8.4
135.11674	10.4
137.09618	5.4
137.13187	1.8
141.06911	1.8
142.07693	3.6
143.08551	11.4
144.09198	1.4
145.06468	1.2
145.10129	24.0
147.07961	3.7
147.10677	1.0
147.11685	14.3
149.09692	4.8
149.13174	3.9
151.07455	1.6
151.11115	3.3
153.06955	1.2
155.08508	5.9
156.09299	2.2
157.10139	14.6
158.10847	1.0
159.07961	2.6
159.11696	16.2
161.09612	5.0
161.13278	7.4
163.11070	4.0
167.08507	1.7
169.10083	5.0
170.10811	1.4
171.07947	1.5
171.11719	9.0
172.12354	1.0
173.09550	3.2
173.13304	13.0
175.11081	4.2
175.14809	6.2
176.11844	1.1
177.12718	2.1
179.10562	3.4
179.14272	1.1
181.10057	4.1
182.10872	1.8
183.11719	10.0
185.09589	1.2
185.13269	10.4
187.11092	1.6
187.14841	12.4
189.09032	1.2
189.12628	3.2
189.16402	12.4
191.10603	1.0
191.14229	2.0
191.17879	1.8
193.10075	1.5
194.10899	2.3
195.11633	4.6
196.12218	1.2
197.13235	8.5
199.11079	1.0
199.14801	9.8
201.12622	3.5
201.16388	9.7
203.10405	1.1
203.14357	5.3
203.17923	4.8
205.12108	2.9
205.15794	2.0
207.11613	2.2
209.13277	5.2
211.11075	1.5
211.14859	5.7
213.12595	2.7
213.16252	4.2
215.14174	4.2
215.17845	4.1
217.15805	4.1
219.13666	3.6
219.17427	2.1
221.13255	2.1
221.15189	2.2
223.14861	5.0
225.12570	3.1
225.16417	4.4
227.14302	2.2
227.17839	3.0
229.15700	3.3
229.19359	1.1
231.17209	1.8
235.14590	2.0
237.16197	3.5
239.14078	1.7
239.17766	2.6
241.15694	2.2
241.19441	1.8
243.17357	2.3
245.15306	2.4
245.18980	1.3
247.16959	2.2
249.16354	1.7
251.17761	2.2
253.15744	1.2
253.19408	1.7
255.17227	1.5
259.16779	2.0
263.17737	1.4
265.15701	1.3
265.19376	1.6
267.17374	1.3
267.21039	1.1
269.18811	3.0
271.20404	1.7
279.20859	1.2
281.22183	1.1
287.19940	1.7
293.22513	2.9
295.16800	1.1
295.24142	6.7
297.18518	2.3
297.25598	0.9
302.12448	1.2
307.20401	2.2
309.21912	3.5
311.23618	4.3
321.25443	1.0
323.23407	1.1
327.23236	4.8
335.23633	2.3
337.24994	1.5
341.24680	1.1
349.25143	2.1
351.22650	2.4
353.24673	1.1
359.23550	1.1
365.24561	2.2
367.26083	4.3
377.24393	4.2
379.26001	1.1
395.25787	14.4
403.29749	1.8
405.27689	1.7
407.32709	2.8
413.28131	1.1
417.31174	1.3
421.31027	5.0
431.29428	7.6
435.32556	7.7
437.30118	1.9
439.31897	2.1
449.30371	20.9
467.31134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.316
Annotation	Papyriogenin A
Peak:m/z	Relative Intensity
53.03952	1.2
55.05513	5.4
56.39911	0.8
57.07069	1.3
59.04992	1.0
59.69510	0.9
62.20689	0.8
67.05511	8.7
69.03428	2.0
69.07063	5.7
69.47807	5.7
71.04993	1.9
79.05128	0.8
79.05502	7.4
81.03410	1.0
81.06582	1.1
81.07060	15.7
83.04984	15.4
83.08614	4.4
85.06531	2.0
91.05474	9.7
93.07046	13.8
95.04963	3.4
95.08613	16.4
97.06528	3.4
97.10147	1.1
99.08134	1.7
105.07034	15.7
107.08594	16.3
109.06513	4.4
109.10162	12.5
111.08076	3.4
117.07014	4.3
119.07802	1.5
119.08588	18.2
121.06501	2.4
121.10141	9.0
123.08083	5.7
123.11726	6.5
125.09644	2.0
128.06219	2.0
129.06987	3.0
131.08578	10.3
132.99455	0.9
133.10135	12.4
135.08060	6.8
135.11717	5.3
137.09644	5.5
137.13255	1.3
139.07463	1.5
141.06941	1.2
142.07770	2.9
143.08574	9.5
145.06404	1.0
145.10132	14.7
147.08058	1.8
147.11681	9.2
147.13976	0.9
149.09627	4.2
149.13239	2.5
151.11140	4.6
153.09088	1.1
155.08549	3.1
156.09363	2.7
157.10153	12.5
158.12373	0.9
159.08061	1.2
159.11699	11.0
161.09633	4.3
161.13223	4.1
163.11174	3.5
165.12708	1.4
166.07874	1.1
167.08583	1.6
168.09348	1.6
169.10132	6.2
170.10854	1.3
171.11685	8.9
173.09634	3.9
173.13307	6.1
175.11201	3.4
175.14810	3.6
177.12727	1.8
179.10678	1.9
179.14297	1.0
180.09309	1.3
181.10118	2.8
182.10980	0.9
183.11703	6.9
185.09697	1.8
185.13284	7.0
187.11182	1.7
187.14865	5.6
189.12708	3.8
189.16373	3.9
191.14305	1.4
193.10239	1.2
193.12164	1.3
195.11679	4.2
197.13258	6.1
199.11159	1.5
199.14780	5.7
201.12704	3.1
201.16393	2.8
203.14322	3.9
203.18054	1.3
207.11649	2.1
209.13232	3.6
211.11159	1.6
211.14848	2.1
213.12711	2.9
213.16309	2.1
215.14276	2.2
215.18048	1.2
217.15930	2.2
219.13841	2.0
219.17505	1.0
221.13261	3.5
221.15292	1.5
223.14780	3.1
225.12924	1.5
225.16379	3.0
227.14293	2.4
227.17935	3.1
229.15828	3.6
233.13220	1.5
235.14851	2.8
237.16446	2.3
239.14127	1.4
239.17915	2.5
241.15912	2.4
243.17511	2.0
245.15340	1.9
249.16457	1.7
251.17929	2.8
253.15950	1.1
253.19482	2.4
257.19064	1.1
265.19464	1.2
269.18991	1.8
271.20575	2.5
279.17294	1.8
279.20770	0.9
281.19131	1.3
283.20526	1.4
287.20200	1.6
295.20691	1.4
297.18466	1.3
307.20438	2.7
309.22086	2.3
311.23599	2.9
323.23755	1.3
325.21567	1.6
327.23267	4.2
333.21927	1.0
335.23444	1.7
339.23199	1.2
347.23633	1.4
349.25128	1.4
351.23160	2.2
359.23770	1.6
365.24857	2.4
367.26431	4.2
377.24792	4.9
379.26096	1.0
395.25858	14.0
403.29749	2.4
405.27676	2.4
413.28403	1.5
419.30334	1.0
421.31018	5.1
431.29541	7.4
435.32779	1.2
437.30487	2.0
439.32269	2.0
449.30508	21.9
467.31427	100.0
468.31583	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	2.0
55.01847	1.3
55.05506	3.4
57.02476	0.7
57.07057	0.8
59.05005	0.7
65.03935	1.3
67.05514	7.7
69.03390	1.7
69.07029	2.7
69.30573	1.8
69.30988	2.8
71.04962	1.6
79.05497	16.9
81.07062	63.9
83.04935	2.0
83.08599	0.7
85.06532	1.3
91.05482	12.7
93.07047	13.4
95.04929	2.4
95.08063	0.7
95.08611	10.9
97.06501	1.8
98.21441	1.1
105.07037	14.6
107.04948	1.2
107.07874	0.7
107.08600	13.5
109.06524	30.8
109.09538	0.6
109.10162	5.5
111.08047	2.4
113.09616	0.8
115.05418	1.2
117.07051	3.9
119.07809	0.8
119.08588	12.2
121.06550	3.0
121.07226	0.7
121.10152	7.6
123.08066	4.1
123.11713	6.0
125.09605	1.0
128.06168	1.8
129.06998	3.5
130.07767	0.6
131.07613	0.7
131.08575	9.8
133.06473	1.9
133.10133	10.9
135.08063	16.2
135.11693	4.8
137.08664	0.8
137.09616	10.8
141.06956	1.3
142.07817	2.7
143.08586	7.9
144.09276	0.6
145.06488	0.7
145.09071	0.7
145.10136	10.8
147.08005	2.3
147.11697	7.5
149.09634	10.4
149.13249	1.2
151.07500	0.8
151.11160	2.3
153.06917	0.7
154.07739	0.7
155.08543	3.1
156.09329	1.6
157.10141	12.6
158.10843	1.6
159.08023	1.9
159.11699	8.0
160.08836	0.7
160.12408	0.7
161.09633	5.7
161.13226	2.5
163.11195	2.9
163.14810	0.7
165.12730	1.0
167.08575	0.8
168.09328	0.8
169.10117	4.2
170.10860	1.1
171.11708	7.0
172.12299	0.7
173.09642	3.6
173.13258	4.5
175.11183	10.5
175.14746	1.2
177.12784	1.2
179.10612	1.8
179.72090	0.7
180.09338	0.9
181.10071	2.0
181.12263	0.7
182.10910	1.6
183.11694	4.2
184.12402	0.8
185.09590	1.9
185.13295	5.6
186.10345	0.6
187.11212	4.5
187.14803	3.4
189.12733	4.0
191.14293	1.3
193.10078	1.2
194.10849	0.9
195.11681	3.0
197.13264	4.7
199.11160	2.4
199.14856	3.5
200.15588	0.6
201.12747	4.1
201.16364	1.5
203.14296	1.9
205.12231	0.6
205.15964	0.6
207.11641	1.6
209.13277	2.3
211.11180	0.7
211.14822	2.9
213.12744	3.8
213.16321	1.7
215.14294	4.4
215.17879	0.9
217.15843	1.4
219.11630	1.1
219.13687	0.7
221.13275	1.2
223.14851	1.9
225.12697	1.8
225.16394	2.1
227.14281	2.3
227.17931	2.0
229.15881	2.5
231.17438	0.8
233.13246	0.8
234.14038	0.7
235.14774	1.0
237.12796	0.6
237.16289	1.1
239.14346	1.1
241.15919	3.8
243.17450	3.7
245.19112	0.9
249.16577	0.7
253.15871	0.8
255.17442	1.4
259.16977	1.2
259.20383	1.1
261.16437	1.0
265.15842	1.2
267.17444	1.5
269.19040	3.5
271.17200	0.7
279.17474	0.9
281.19110	0.8
285.18497	0.7
287.20087	11.7
291.21048	0.6
293.18982	0.9
295.20859	0.7
307.20554	2.1
309.22040	3.0
325.21597	1.5
327.23181	2.7
333.22076	2.0
335.23718	1.6
337.21692	0.7
349.25305	3.9
351.23077	2.3
353.24771	2.0
355.22427	0.8
359.23691	1.2
365.24707	1.8
367.26340	2.6
377.24741	14.3
379.26648	0.7
395.25836	100.0
396.26175	1.7
421.31195	0.8
431.29507	2.5
449.30630	7.6
467.31598	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	467.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01876	8.3
55.05510	2.8
57.03420	1.3
57.07067	0.7
59.04995	0.5
65.03938	1.3
67.05502	7.3
69.03429	9.2
69.07063	5.1
70.61510	0.8
70.61844	1.1
71.04993	1.8
77.03949	0.8
79.05490	10.5
81.03419	8.9
81.07061	8.5
83.04992	3.5
83.08611	1.0
85.06544	0.8
91.05483	22.6
93.07047	13.7
95.01334	2.5
95.04971	13.2
95.08605	7.7
97.06519	5.2
103.05482	1.7
105.07030	17.8
107.04945	4.6
107.08600	10.8
109.06513	7.7
109.10147	4.1
111.08067	1.2
113.05982	0.7
115.05463	5.6
115.07578	0.8
116.06232	1.7
117.07030	12.3
119.04951	1.9
119.08580	25.3
121.06510	8.0
121.10123	5.7
123.04422	0.7
123.08073	3.7
123.11743	1.1
125.05969	0.8
128.06215	6.8
129.07005	13.0
130.07773	2.0
131.04900	1.6
131.08575	14.9
131.09523	1.1
132.05693	0.9
133.06500	4.9
133.10130	12.7
133.11075	1.0
135.08061	7.6
135.11687	0.9
137.05989	1.4
137.09590	4.5
141.06987	3.3
142.07779	6.2
143.08560	12.6
144.05708	1.4
144.09340	1.5
145.06487	8.8
145.10121	14.0
145.11272	0.7
147.08046	41.1
147.11687	4.0
148.08408	0.8
149.05986	0.8
149.09628	5.6
151.11203	1.2
152.06242	0.6
153.06920	3.1
154.07797	1.5
155.08563	6.3
156.09334	5.2
157.06519	1.9
157.10129	13.2
158.07307	1.6
158.10866	1.1
159.08055	19.6
159.11708	8.3
160.08653	0.9
161.05942	1.0
161.09613	12.6
161.13254	1.3
163.07544	11.5
163.11176	1.4
165.07022	4.6
165.09116	14.2
166.07831	2.3
167.08591	4.1
168.09291	2.6
169.06494	2.6
169.10129	8.1
170.07271	0.9
170.10872	3.1
171.08064	10.4
171.11690	13.5
172.08864	1.6
173.05981	4.9
173.09624	13.0
173.13243	4.7
174.10432	0.7
175.07581	2.2
175.11186	4.9
175.14828	0.7
177.09151	1.2
177.12802	1.1
178.07785	1.1
179.08582	4.1
179.10674	1.4
180.09302	3.9
181.06647	0.9
181.10135	5.6
182.07228	1.0
182.10896	2.9
183.08084	3.5
183.11688	8.8
184.08931	1.4
184.12514	1.4
185.06133	0.7
185.09612	8.3
185.13226	6.0
186.10373	0.8
187.07610	2.9
187.11223	7.4
187.14838	4.0
189.07159	0.7
189.09151	3.6
189.12802	1.9
191.08572	1.3
191.10658	1.3
192.09396	2.1
193.10135	6.2
194.10872	2.9
195.08105	2.4
195.11702	7.4
196.08824	1.7
196.12418	0.6
196.56165	0.5
197.09596	6.4
197.13283	7.5
198.10474	1.5
198.14101	0.7
199.11171	8.9
199.14888	1.5
200.12012	1.6
201.09157	2.8
201.12729	5.1
202.07887	1.1
203.08580	1.6
203.10674	1.6
203.14302	0.8
204.09254	1.1
205.10345	2.7
205.12148	1.0
206.10849	3.1
207.11726	5.5
208.08908	2.2
208.12543	2.1
209.09703	4.3
209.13240	4.2
210.10454	2.3
210.14024	0.7
211.07697	0.7
211.11209	7.3
211.14731	1.3
212.11900	0.8
213.09225	2.2
213.12743	9.1
215.08661	1.7
215.10754	2.4
215.14268	5.8
216.09421	1.1
217.10175	2.4
217.12291	1.4
217.15828	0.7
218.10982	2.0
219.08075	0.7
219.11731	3.6
219.13681	0.9
220.08977	0.8
220.12534	2.4
221.09610	1.9
221.13335	3.6
222.10451	1.7
223.11205	11.4
223.14659	3.4
224.11998	1.8
225.09238	1.2
225.12845	5.3
225.16417	0.9
226.09969	0.7
227.10728	2.0
227.14377	1.3
229.10114	1.4
229.12288	4.5
230.10797	2.9
231.11710	3.6
231.13901	1.4
232.08939	1.0
232.12512	2.2
233.09631	3.0
233.13376	1.8
233.15405	0.8
234.10448	1.1
234.14049	1.1
235.11140	4.3
235.14778	3.6
236.11989	1.2
237.09106	1.5
237.12752	5.1
239.10687	2.2
239.14394	2.3
241.10144	1.0
241.12131	3.1
241.15833	0.7
242.10966	1.7
243.11679	2.8
243.13916	2.6
244.08698	0.8
244.12538	2.2
245.09648	2.3
245.13300	4.9
245.15492	0.8
246.10294	3.0
246.14154	1.5
247.11145	4.7
247.14940	2.4
248.12013	2.1
249.12825	3.6
249.16435	2.2
250.13503	1.3
251.10670	1.1
251.14374	3.2
251.18039	1.2
253.10037	1.1
253.12392	1.3
253.15901	1.5
254.10913	1.0
255.11598	2.6
256.12576	1.6
257.09515	1.3
257.13275	3.3
258.10532	1.6
258.14096	1.5
259.11029	2.6
259.14828	1.8
260.12015	3.1
260.15546	0.7
261.12704	5.2
261.16589	1.3
262.13528	1.0
263.11179	1.0
263.14349	5.4
263.18002	1.6
264.15179	1.3
265.09879	0.6
265.12473	0.9
265.15936	1.7
266.10986	0.8
267.14020	1.3
267.17508	1.2
268.12509	1.2
269.09708	1.3
269.13397	2.3
270.10443	0.5
270.14050	2.1
271.11298	1.9
271.14862	2.2
272.12021	2.4
272.15573	0.9
273.12790	5.2
273.16388	1.5
274.13589	2.4
275.11166	0.8
275.14349	4.7
275.17654	1.3
276.15109	1.3
277.12585	1.1
277.15973	2.5
277.18973	0.6
279.13846	1.5
279.17468	0.9
280.12357	1.2
281.12811	0.9
281.15726	3.1
282.10645	0.9
282.14069	0.9
283.11218	3.6
283.14532	1.2
284.12000	1.4
284.15411	0.9
285.12802	2.4
285.16330	2.5
286.13501	1.3
287.14389	5.6
288.15131	2.2
289.12332	1.3
289.15854	1.6
289.19254	0.8
291.13843	1.7
291.17377	1.6
293.15399	2.9
293.18845	1.3
295.14514	1.2
295.17395	1.0
296.12036	1.4
296.15640	1.0
297.12778	3.8
297.15942	0.7
298.13574	3.0
298.16791	0.7
299.10922	1.0
299.14362	2.6
299.17416	0.8
300.15222	1.3
301.12524	1.1
301.15945	3.0
303.13989	1.2
303.17422	3.3
305.15616	1.4
307.17105	1.3
308.12036	0.7
309.12802	1.8
311.14105	3.4
312.15106	2.5
313.15839	9.1
313.19116	0.5
314.16650	1.2
315.14078	1.3
315.17499	2.8
316.14868	0.8
317.15594	1.1
317.19073	3.0
319.17029	1.3
319.20547	0.7
321.15106	0.8
321.18564	2.4
323.14255	4.8
324.15244	1.6
325.15790	1.7
325.21930	1.3
326.16708	1.3
327.17459	3.5
327.23343	0.7
328.18387	2.5
329.15900	2.6
329.19116	2.6
331.16959	5.7
331.20419	1.1
333.14719	0.8
333.18399	1.2
333.22202	0.9
338.16644	3.2
341.15460	0.7
341.18991	4.7
342.16055	0.8
343.20605	7.4
345.18475	7.1
346.19156	0.9
347.20007	3.5
349.17953	1.1
353.18958	7.8
356.17657	2.1
359.20056	6.4
361.21683	6.6
363.19635	2.5
371.20044	20.7
377.20908	3.1
379.22464	1.3
389.21118	34.5
390.21533	0.9
395.25928	2.2
407.16824	1.2
407.22183	23.0
408.22586	0.9
425.22769	0.8
431.22293	2.5
437.30624	0.7
449.23276	16.8
449.30267	1.5
467.24411	100.0
467.31525	14.7
468.24768	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.4
55.01855	10.1
55.05497	9.1
65.03922	2.7
67.05512	18.2
69.03410	9.0
69.07051	7.2
79.05486	28.5
81.03423	18.9
81.07050	20.6
83.04959	5.7
85.02904	4.6
91.05479	34.2
93.07041	25.0
95.04974	40.4
95.08609	18.2
97.06506	2.3
98.21542	3.5
100.90742	1.9
103.05478	5.1
105.07033	47.7
107.04944	9.9
107.08590	24.0
109.06531	26.4
109.10146	6.5
111.04438	3.1
111.08090	2.3
115.05459	10.7
116.06181	3.3
117.07019	20.6
119.04950	4.6
119.08585	56.1
121.06506	17.9
121.10125	14.2
123.08046	7.9
128.06230	10.8
129.06998	19.3
130.07776	5.3
131.04930	12.9
131.08571	31.4
133.06500	14.9
133.10152	19.6
135.08060	13.7
135.11694	4.0
137.09598	3.2
141.06990	9.3
142.07794	21.9
143.08574	22.3
144.09323	5.2
145.06494	43.1
145.10123	37.0
147.06958	2.8
147.08055	40.8
147.11676	3.0
149.09596	16.9
151.07501	2.7
152.98010	2.1
153.07016	4.5
154.07759	5.3
155.08545	15.8
156.09331	15.4
157.06448	4.3
157.10150	43.0
158.07297	3.8
159.08069	25.9
159.11707	31.8
161.09621	23.7
161.13306	2.6
163.07559	4.7
163.11179	5.1
165.06987	9.7
166.07803	3.5
167.08536	10.5
168.09343	7.4
169.10114	24.9
170.10809	4.4
171.08051	11.2
171.11710	27.7
172.08844	4.3
173.05949	2.6
173.09627	34.6
173.13231	10.2
175.07558	2.9
175.11153	12.5
177.09155	3.3
177.70326	2.1
178.07765	2.6
179.08536	11.8
180.09332	4.4
181.06543	2.2
181.10086	11.4
182.10863	4.9
183.08092	4.6
183.11694	20.5
184.08853	3.5
185.09630	22.3
185.13229	13.1
187.07594	2.6
187.11172	26.3
189.09145	5.1
189.12683	4.5
191.08566	3.4
192.09308	3.6
193.10060	10.7
194.10936	8.3
195.08127	4.1
195.11705	18.3
196.08778	2.6
196.12401	4.5
197.09612	11.6
197.13341	12.3
197.14775	2.3
198.10339	3.4
199.11179	20.1
199.14813	4.0
200.11838	3.1
201.09053	6.2
201.12708	9.3
203.08829	2.5
203.10658	5.1
204.09302	2.6
205.10103	5.3
205.12230	3.7
206.10852	6.9
207.11684	13.7
208.08858	4.6
208.12431	5.0
209.09633	7.7
209.13199	14.7
210.10316	2.8
211.11180	15.4
211.14828	8.9
212.11972	2.5
213.12704	21.3
215.10593	4.1
215.14236	7.8
216.09212	3.2
217.10126	7.9
217.12135	3.0
218.10919	3.6
219.11598	6.5
220.12451	4.9
221.09634	3.5
221.13242	10.1
222.10304	4.6
223.11205	16.8
223.14827	9.1
224.12001	2.7
224.15421	2.8
225.12817	12.6
225.16400	4.6
227.14348	6.6
229.10139	5.1
229.12216	30.0
229.15755	3.4
230.10890	5.7
231.11639	7.3
231.13805	5.4
233.09645	3.4
233.13264	7.3
234.13939	3.1
235.11214	7.3
235.14786	10.0
237.12701	10.2
237.16397	4.9
239.10664	6.1
239.14273	9.0
239.17802	2.9
241.12206	5.4
241.15842	5.3
244.12604	3.0
245.13359	5.1
246.14009	4.3
247.11163	7.2
247.15004	5.1
249.12740	6.6
249.16422	6.0
251.14386	5.9
253.15854	8.0
256.12561	3.0
257.13199	6.7
258.10168	2.9
258.13983	3.3
259.11151	4.3
259.14905	5.0
260.15540	2.4
261.12723	5.5
261.16321	3.7
263.10709	2.7
263.14279	6.8
265.15869	3.6
267.13831	2.9
267.17487	4.1
270.13843	2.7
271.10934	2.5
271.14709	3.9
272.11963	2.3
273.12656	6.4
273.16226	2.2
274.13406	3.4
275.14328	5.8
277.12323	3.4
277.15891	9.0
279.17178	2.8
282.14063	2.6
283.11017	2.5
285.12857	3.7
285.16086	4.7
286.13559	4.2
287.14236	7.8
289.15912	3.9
291.17184	3.4
293.18982	6.3
299.14230	5.2
301.16141	4.8
303.13812	2.4
303.17352	6.4
305.15457	2.9
307.16858	2.7
313.12378	2.2
313.15814	7.9
315.17358	7.1
315.21030	2.7
317.18988	11.7
319.16882	3.4
319.20435	2.7
321.18491	3.4
323.14108	4.6
327.17233	3.4
328.18176	3.4
329.18909	5.1
331.16833	4.4
331.20544	4.9
333.18430	4.8
333.22107	33.8
335.19992	3.2
341.18991	6.2
343.20636	28.1
345.18689	10.7
347.20126	4.6
353.19006	6.9
359.19983	4.9
361.17441	4.1
361.21646	66.9
363.19348	6.1
371.20132	22.6
379.22751	13.9
389.16147	2.4
389.21118	48.8
407.17511	3.1
407.22214	29.0
431.22006	2.9
449.23117	20.0
449.29761	4.4
467.24200	100.0
467.31314	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	467.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
55.01864	8.8
55.05510	6.2
57.79800	2.4
62.15287	2.1
65.03922	4.0
66.26150	2.5
67.05521	17.4
69.03427	14.3
69.07069	5.5
69.16843	12.1
69.17258	10.8
79.05504	29.6
81.03415	28.0
81.07060	20.0
83.04988	10.4
83.08601	3.7
85.02901	4.7
89.01008	2.2
91.05489	34.1
93.07049	29.5
95.04973	54.3
95.08604	15.7
95.32516	2.2
97.06544	3.3
98.20685	3.3
103.05463	4.6
105.06390	4.2
105.07037	57.9
107.04963	21.8
107.08599	26.1
109.06523	22.4
109.10135	4.9
111.04486	4.9
111.08085	2.3
115.05450	6.3
116.06231	3.7
117.07008	17.0
119.04916	3.5
119.08583	69.2
121.06490	19.9
121.10141	18.5
123.08060	7.8
128.06229	7.9
129.07004	16.3
130.07761	4.8
131.04892	8.4
131.08568	29.4
133.06506	31.6
133.10115	19.2
135.08061	15.9
135.11731	2.6
137.05919	4.2
137.09604	4.0
141.06992	6.7
142.07802	18.5
143.08556	25.9
144.09314	4.5
145.06502	29.7
145.10133	47.4
147.08047	31.3
147.11708	7.2
147.74968	2.1
149.02313	6.0
149.09637	16.1
150.02600	2.8
153.07002	5.5
154.07787	4.1
155.08540	13.6
156.09357	9.6
157.06470	4.3
157.10136	36.7
158.07239	4.3
159.08058	22.9
159.11705	24.1
161.09634	23.7
161.13187	3.1
163.11125	3.9
165.06995	6.2
165.09109	3.9
166.07758	5.3
167.08589	7.1
168.09377	5.3
169.10143	31.4
170.10872	7.9
171.08031	14.5
171.11690	24.1
173.09637	29.7
173.13275	9.9
175.11218	10.7
177.09126	11.8
179.08566	9.4
180.09355	6.3
181.10136	13.9
182.07341	2.5
182.10878	6.6
183.08073	4.4
183.11661	16.7
184.12495	3.2
185.09636	27.0
185.13266	10.0
187.11194	17.9
187.14745	2.7
189.09023	3.4
189.12788	3.8
191.08569	3.5
191.10770	3.3
192.09335	6.6
193.04936	3.4
193.10161	13.6
194.10889	7.9
195.11725	21.7
196.08766	2.9
196.12453	5.5
197.09657	11.2
197.13278	13.6
199.11209	13.9
199.14821	4.6
200.11986	3.1
201.09164	7.4
201.12688	8.6
203.10660	5.2
205.10130	7.0
206.10921	9.3
207.11685	17.7
208.08652	2.5
208.12485	5.9
209.09627	7.2
209.13277	17.7
210.10434	3.1
210.14078	3.3
211.11214	14.0
211.14775	10.6
213.12755	48.0
215.10553	3.8
215.14249	5.4
216.09486	2.4
217.10185	5.5
218.10976	4.6
219.11696	12.7
220.12447	10.6
220.99583	2.6
221.09695	3.4
221.13274	25.2
222.14050	6.5
223.11165	8.9
223.14838	10.5
224.12035	3.3
225.12779	12.5
225.16344	4.1
227.10774	3.0
227.14270	5.7
229.10201	5.3
229.12277	8.1
230.10858	4.8
231.11687	9.4
231.13771	3.9
232.12479	6.7
233.09691	3.3
233.13300	13.8
234.14058	2.5
235.11140	6.0
235.14760	12.1
237.07690	3.8
237.12744	10.3
237.16402	19.9
239.14325	15.8
241.12286	8.0
241.15979	4.3
242.10814	3.0
243.11702	7.0
243.13821	8.6
244.12483	7.2
245.09454	2.6
245.13248	8.5
246.14011	4.5
247.11163	5.6
247.14928	14.7
248.11862	3.3
249.12709	9.9
249.16380	8.2
251.14330	6.4
251.17938	3.6
253.15855	5.9
255.11528	3.3
255.14006	3.3
257.13275	6.7
257.26636	5.1
258.14093	4.4
259.14990	4.4
260.15570	4.5
261.12607	4.5
261.16449	8.1
263.14325	7.4
265.15887	8.9
265.19482	2.2
267.13858	3.5
267.17468	5.6
268.12436	2.7
270.13943	3.0
271.11499	3.4
271.14487	4.4
272.12012	3.4
272.15634	3.5
273.12756	5.9
273.16226	3.5
275.14310	5.4
275.17953	11.9
277.15732	8.0
279.17361	3.4
285.12680	5.3
285.15979	3.9
286.13544	3.8
287.14359	6.2
288.15158	2.8
289.15939	7.2
289.19370	3.2
290.16818	2.4
291.17468	2.7
293.15533	4.5
293.19064	7.3
295.17139	3.1
299.14297	6.0
300.15176	3.5
301.15808	7.5
303.17343	8.1
305.15417	3.6
305.18890	5.1
307.16879	4.5
307.20291	2.8
313.15985	4.5
314.16666	3.6
315.17291	8.1
315.21011	7.9
317.15552	3.1
317.18936	9.1
319.16962	3.9
321.18527	4.8
325.19461	3.5
327.17633	5.0
329.19147	3.8
331.16916	3.9
331.20639	6.5
333.18353	5.1
333.22128	26.1
343.20584	67.5
345.18451	10.4
347.20187	2.9
359.19849	4.4
361.21637	93.7
363.19452	5.5
371.20050	27.9
379.22745	14.5
381.20358	4.9
385.29422	2.5
389.16098	3.0
389.21097	57.1
395.26031	4.5
407.22122	32.2
449.23361	33.1
449.29724	3.4
467.24213	100.0
467.31580	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	466.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25481	1.7
53.72006	1.5
55.05504	7.4
57.07072	4.8
65.03939	2.4
67.05509	37.0
69.03442	1.8
69.07072	31.1
69.77629	1.4
70.06126	1.5
71.08617	1.9
71.26044	2.3
71.26391	1.8
79.05495	8.4
81.07059	42.4
83.08617	10.1
89.06034	1.9
90.70365	1.5
91.05491	10.9
93.07051	25.7
95.04953	3.0
95.08614	63.3
97.10161	2.5
99.77418	1.5
99.96061	1.4
105.06379	3.0
105.07043	35.1
105.48754	1.7
107.08614	37.8
109.10167	100.0
117.07046	2.7
119.08587	36.8
119.09368	3.2
121.10153	32.0
123.11720	40.6
131.08580	6.9
133.08585	2.0
133.10133	25.5
135.11700	27.3
136.09001	1.6
137.13237	4.9
143.08614	1.9
145.10141	7.3
147.11697	43.2
149.13274	13.0
157.10095	3.4
159.11731	6.3
161.13272	29.9
163.14828	6.9
173.13280	5.3
175.14854	9.6
179.14415	2.3
187.14813	6.8
189.16470	19.7
191.17967	7.3
199.14766	2.0
201.16393	2.7
203.17996	12.9
207.17424	20.1
215.17981	4.3
217.19527	52.3
217.21608	3.3
229.19630	2.1
245.22878	1.6
257.22598	3.2
271.24216	6.2
283.24329	4.0
285.25977	3.2
301.25272	2.1
369.31375	2.9
382.31183	3.4
398.34344	1.8
407.36719	10.9
423.35553	1.7
425.37741	26.1
466.40536	51.8
467.31204	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	466.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.05518	4.1
57.03440	6.7
57.07076	1.6
61.02921	2.9
62.81512	0.7
64.79992	0.8
67.05174	1.5
67.05509	19.3
69.03429	2.1
69.07076	9.0
69.18997	8.0
71.04989	2.2
71.08686	1.1
74.70661	0.8
79.05064	1.1
79.05499	12.5
81.03414	3.4
81.07061	28.5
82.07380	1.0
83.04967	2.5
83.08598	4.8
85.02894	3.7
85.06541	2.6
91.05482	7.2
93.07052	20.7
94.07398	1.2
95.04970	2.0
95.08617	9.9
96.08924	1.3
97.02901	2.0
97.06521	3.7
99.08087	1.3
105.07034	3.7
106.07311	0.9
107.04932	1.5
107.08601	12.7
109.06522	1.8
109.10138	3.9
111.08078	2.9
117.07016	3.4
119.08588	3.0
121.06514	1.4
121.10151	8.2
123.04449	0.7
123.11692	1.3
126.05453	1.0
131.08562	3.4
133.10170	4.4
135.08011	1.4
135.11694	3.4
145.10147	1.3
147.11664	1.3
149.09645	1.2
149.13275	15.8
157.10129	1.1
159.11690	6.9
167.07022	4.2
168.07382	1.9
177.12764	3.8
183.01120	1.8
187.72507	1.0
193.08606	1.0
195.13786	4.1
201.16400	1.5
217.12221	0.9
269.17499	100.0
270.17703	1.3
294.96515	0.8
304.05441	2.0
304.13705	1.7
327.18707	1.0
329.90277	0.9
431.22723	1.5
466.19440	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01871	1.4
55.05500	2.8
58.32910	0.6
59.04994	0.8
64.72534	0.7
65.61840	0.6
67.05183	1.0
67.05506	15.6
69.03437	6.1
69.07050	2.1
70.06627	1.0
71.05001	0.9
71.55281	1.2
79.05486	3.0
81.03419	12.3
81.07059	10.0
83.04974	0.8
83.08611	0.9
85.02911	4.5
91.05506	3.8
93.07047	5.3
95.04990	4.4
95.08047	1.1
95.08604	10.2
97.02892	4.0
97.06543	1.1
99.04463	2.8
99.08111	1.2
105.07011	2.2
107.08575	2.7
109.02886	13.3
109.06496	2.1
109.10166	45.7
111.04472	4.1
117.07021	1.5
119.08584	6.4
121.02362	0.7
121.10167	4.1
123.04424	1.0
125.05986	1.6
127.03940	7.8
131.08574	1.7
131.32503	0.7
133.10144	1.7
135.08066	1.3
137.09625	81.6
145.04970	1.2
147.08046	6.1
151.11159	0.8
154.51495	0.7
155.10681	8.1
157.10112	1.0
163.07666	0.8
165.09126	100.0
183.10179	21.4
183.11807	1.3
183.13702	1.3
190.44629	0.7
200.91882	0.7
201.11217	10.2
215.17944	0.7
253.13374	3.3
263.12671	1.2
269.17963	1.3
269.21158	5.1
281.13828	1.3
287.22202	1.1
291.12286	11.0
303.05029	0.9
304.05270	4.0
309.13348	43.1
327.14417	11.8
345.15372	5.2
388.19659	1.1
406.21152	1.5
422.14987	2.7
466.13965	7.1
466.19397	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13220	0.9
51.31404	0.8
52.64444	0.8
53.14552	0.9
56.05037	6.1
57.03428	2.2
60.35967	0.7
62.05464	0.8
63.01487	0.7
69.03424	2.3
70.06580	3.1
70.44734	2.3
72.08164	1.8
73.60281	0.8
74.06082	100.0
75.06449	0.8
79.05478	1.0
80.04987	1.0
81.03403	2.5
82.06566	4.6
83.04988	1.4
84.04525	5.3
84.08128	1.0
85.02896	3.9
86.06055	1.1
86.09706	1.5
87.04450	0.8
89.84760	0.9
96.08155	1.9
97.02898	4.6
97.06542	0.9
98.06049	8.1
98.21021	1.8
99.04442	1.1
100.07621	15.1
102.05564	6.7
109.02869	7.4
110.07157	0.9
114.09168	2.4
116.07097	52.6
119.86793	0.8
120.04299	1.0
120.06579	19.9
120.08068	2.3
124.07597	14.3
125.05961	1.8
127.03903	2.1
128.16808	0.8
136.07587	1.1
136.65027	0.8
137.05983	2.2
137.33650	0.8
144.06563	72.0
145.04950	2.6
146.08118	31.5
146.09268	1.7
152.09393	0.8
162.07602	9.7
216.11382	2.3
228.08658	2.3
234.12297	1.6
240.08604	2.2
240.12242	1.3
246.09691	3.0
264.10657	1.2
267.11145	1.5
268.11621	3.6
270.09738	15.9
273.11838	0.9
286.12567	3.3
288.10797	20.5
303.13449	2.0
304.13715	6.5
306.11829	10.5
363.16547	1.6
466.19125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3941
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
53.03949	4.4
55.05517	51.6
57.07078	42.9
58.12214	5.0
65.03942	6.1
65.45183	5.5
67.05512	81.9
69.07072	76.4
71.08636	39.0
79.05495	30.3
81.07062	99.1
83.04973	14.5
83.08622	44.1
85.06551	13.0
85.10199	24.8
89.06062	6.6
91.05482	26.5
93.07056	50.8
95.08607	76.6
95.09176	7.4
97.06525	23.3
97.10184	38.5
105.07033	32.6
107.08601	52.3
109.06519	7.0
109.10159	92.4
111.08096	7.5
111.11719	19.9
115.07560	18.5
119.08586	45.2
121.10151	35.7
123.11717	19.0
125.06025	15.8
125.13306	7.1
129.05484	14.2
131.08566	6.0
133.08583	7.0
133.10112	40.9
135.08076	5.2
135.11694	37.3
137.13272	5.7
143.07056	7.0
143.08569	6.4
145.10114	20.7
147.11693	28.1
149.13295	24.7
157.08598	73.3
159.11700	16.1
161.13229	13.9
163.14845	17.3
173.11739	22.1
173.13300	17.6
175.14848	13.5
177.16415	7.7
181.05009	6.9
181.12238	6.1
183.53983	4.8
187.14845	9.6
195.13791	5.5
201.11263	5.3
201.16354	7.8
207.13809	17.2
215.17972	10.2
221.15318	6.5
221.22647	6.5
226.16020	4.9
233.15465	5.6
257.18896	4.9
261.18509	7.2
275.20178	11.5
289.21661	5.9
355.33667	14.8
385.29077	5.7
407.31339	4.9
417.37268	13.3
429.37445	36.2
447.38358	100.0
465.34744	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01863	2.1
55.05509	7.7
57.03424	1.8
59.04984	1.7
61.02937	2.2
65.03921	2.1
67.05510	14.1
69.03431	10.2
69.07053	5.6
69.17196	14.3
70.00838	1.3
71.04971	4.2
74.99615	1.4
79.05494	14.2
81.03416	3.3
81.07060	20.0
83.04971	6.3
83.08607	2.4
85.02917	10.5
85.06508	4.9
86.80331	1.5
91.05476	16.2
93.07043	25.7
95.04975	6.7
95.08610	18.7
95.32887	1.5
97.02869	1.7
97.06521	3.5
97.10133	2.2
105.07030	26.5
107.04939	3.5
107.08600	19.5
109.02872	1.8
109.06544	8.4
109.10169	9.6
111.08073	5.6
115.05493	1.9
117.07001	8.3
119.04966	1.7
119.08585	32.0
121.06544	6.8
121.10146	12.9
123.08108	10.4
123.11715	1.6
127.03924	2.0
128.06206	3.0
129.07033	6.9
130.07780	3.4
131.08575	16.0
133.10133	17.0
135.07086	2.6
135.08052	22.2
135.11688	4.3
137.09613	14.0
141.06958	2.4
142.07742	5.2
143.08588	14.7
144.09325	1.8
145.10133	30.7
147.08043	8.8
147.11682	12.4
149.09628	28.4
151.11185	3.6
153.01826	3.5
153.07004	2.2
155.08594	8.1
156.09354	4.1
157.06520	1.7
157.08931	2.1
157.10114	16.6
159.08083	4.7
159.11696	15.2
161.09627	12.0
161.13257	7.6
163.11185	5.6
165.01866	1.7
165.06975	1.8
165.09120	5.0
167.08537	3.5
168.09363	2.0
169.10106	11.2
170.10982	2.5
171.08031	4.1
171.11697	13.0
172.12498	1.8
173.09659	7.4
173.13232	10.5
174.10327	2.0
175.11156	9.0
177.09175	1.7
177.12791	2.3
179.08565	4.4
179.10654	2.4
180.09343	2.6
181.10143	7.7
182.10947	2.7
183.11734	11.8
185.09602	6.3
185.13289	12.1
186.10310	1.9
187.11212	18.9
187.14786	4.6
189.12741	5.9
191.10699	2.0
193.10129	4.2
194.10927	2.9
195.11702	13.6
196.12560	1.6
197.09636	2.2
197.13271	10.1
199.11188	6.2
199.14766	7.7
201.05548	1.8
201.12738	8.2
203.14281	3.3
205.10056	1.8
207.11674	4.7
208.12418	3.7
209.13287	8.4
210.14032	1.8
211.11255	4.9
211.14795	6.2
212.11967	1.8
213.12741	19.4
213.16373	2.9
215.14297	6.4
217.10170	1.9
217.12250	2.7
219.11847	3.4
219.13779	3.3
220.12419	2.3
220.76711	1.7
221.13271	6.2
222.13966	1.8
223.11339	2.7
223.14833	6.4
225.12738	5.3
225.16351	3.5
226.13544	1.7
227.14311	4.3
227.18056	1.8
229.04955	5.0
229.15941	3.9
231.11736	1.8
231.13873	1.8
233.13266	2.9
235.14857	5.5
237.12726	4.2
237.16371	5.0
238.13509	1.4
239.14218	7.3
239.17947	2.5
241.15807	4.4
245.13242	2.2
245.15471	4.1
247.14818	3.3
247.17053	1.7
249.12834	2.7
249.16423	3.1
251.14345	4.5
253.15965	7.5
257.04413	3.4
259.14655	2.3
261.12903	1.4
263.14386	2.1
263.17984	3.1
265.15906	4.1
265.19141	1.7
267.17502	5.5
269.18948	6.0
271.16928	1.9
275.14081	1.5
277.15881	3.2
279.17456	5.1
279.21155	1.7
281.16150	1.8
281.18967	10.4
283.20322	1.8
285.18399	2.9
289.19461	1.7
303.04996	100.0
304.05365	4.1
305.19086	3.9
307.20584	11.5
309.22098	2.8
319.20569	1.9
321.21973	1.6
323.20190	3.8
325.21686	7.0
335.20197	3.5
336.26236	2.1
351.23474	1.6
353.21252	2.9
363.23401	2.2
365.24811	4.3
375.22998	2.8
377.24759	2.4
393.24179	16.4
401.28494	2.5
403.26266	1.4
419.29520	7.6
421.27399	66.1
429.27893	6.7
447.29010	20.6
465.29947	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01871	8.7
55.05510	20.7
57.03431	8.3
57.07071	7.7
67.05504	22.6
69.03430	5.7
69.07071	25.2
71.04987	4.4
71.08628	4.2
73.02922	4.7
79.05495	27.2
81.07053	75.5
83.04973	7.3
83.08631	19.3
85.02896	2.6
85.10171	2.2
87.10823	2.1
91.05491	21.8
91.48357	1.8
93.07039	27.9
95.04962	5.9
95.08607	19.3
97.06541	5.9
97.10158	11.7
98.98465	41.8
105.07030	33.4
107.04966	3.7
107.08591	25.6
109.06525	28.3
109.10126	10.0
111.08106	6.3
111.11735	5.6
112.22680	1.7
117.07030	8.4
119.08568	31.8
121.06510	6.5
121.10114	18.1
123.08049	2.9
123.11704	2.1
125.06017	2.6
128.06200	2.0
129.07010	8.6
131.08571	22.4
133.06525	3.5
133.10130	22.5
135.08046	12.0
135.10791	1.9
135.11714	7.7
137.00005	3.2
137.09619	3.3
141.07022	2.5
142.07823	5.3
143.08572	12.8
145.06393	2.2
145.10117	25.2
147.08055	4.6
147.11690	10.4
149.09618	11.8
155.01030	30.9
155.08562	8.4
156.09369	8.5
157.10136	20.3
158.10905	3.7
159.11693	22.2
161.09654	4.6
161.13345	9.9
163.11185	7.1
165.06973	2.1
167.08568	4.4
169.10074	10.7
170.10936	4.7
171.08078	1.9
171.11676	17.7
172.08824	2.3
173.09656	9.0
173.13226	13.5
175.11177	7.3
177.12811	2.5
179.08519	4.0
179.10725	2.9
180.09381	2.4
181.10139	7.1
181.12273	3.9
182.10925	5.3
183.11703	16.5
185.09624	5.1
185.13274	11.0
187.11191	11.9
187.14830	8.0
189.12717	6.7
192.09406	3.3
193.10155	6.9
194.10977	1.9
195.11694	11.4
196.12512	3.2
197.09633	2.0
197.13234	15.5
199.11194	8.7
199.14856	7.4
201.12746	10.7
203.14354	2.4
205.10165	2.3
206.10825	3.0
207.11758	5.9
208.12605	2.5
209.13252	7.6
211.14812	14.0
212.11714	2.2
213.12714	4.9
213.16354	6.9
214.13554	3.0
215.14362	15.7
217.15829	3.2
218.10715	2.6
219.11607	2.4
221.13255	6.5
222.10544	2.3
223.11159	2.8
223.14835	8.7
224.11909	2.4
224.15773	1.9
225.12776	3.7
225.16373	6.9
227.14305	8.1
229.04758	3.9
232.12537	2.0
233.13248	4.6
234.14081	3.0
235.14777	7.7
237.12814	2.0
237.16428	9.4
237.22115	5.8
239.14275	6.8
239.18011	6.5
241.15948	9.5
245.13249	2.5
246.14064	3.2
247.14839	6.9
249.12836	2.4
249.16321	5.3
251.17943	2.6
253.15999	2.6
255.17529	9.4
257.19086	4.8
261.16440	4.1
263.14212	2.8
263.17993	3.7
265.15839	4.2
267.17459	7.2
273.16315	4.1
275.17868	3.3
277.16019	2.5
277.19568	4.0
277.33591	2.0
279.21332	2.3
283.16919	2.6
284.17789	3.5
285.18491	13.5
287.17719	2.2
289.19391	3.4
291.17438	3.1
303.04895	9.5
305.18872	4.9
305.22235	3.1
307.20554	7.5
309.18521	2.2
309.21945	5.0
311.22159	4.6
311.25784	80.6
317.18958	6.3
319.24097	4.4
331.20618	2.2
333.22174	7.6
335.20074	8.6
336.26205	12.5
347.23709	13.7
349.21478	8.4
357.21918	4.4
363.23285	4.3
365.24777	17.5
375.23187	52.1
389.24518	3.0
393.24231	100.0
405.31326	3.0
407.25705	5.8
419.29810	4.6
447.24673	8.2
447.29166	9.1
465.15439	2.9
465.29514	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01863	2.1
55.05509	7.7
57.03424	1.8
59.04984	1.7
61.02937	2.2
65.03921	2.1
67.05510	14.1
69.03431	10.2
69.07053	5.6
69.17196	14.3
70.00838	1.3
71.04971	4.2
74.99615	1.4
79.05494	14.2
81.03416	3.3
81.07060	20.0
83.04971	6.3
83.08607	2.4
85.02917	10.5
85.06508	4.9
86.80331	1.5
91.05476	16.2
93.07043	25.7
95.04975	6.7
95.08610	18.7
95.32887	1.5
97.02869	1.7
97.06521	3.5
97.10133	2.2
105.07030	26.5
107.04939	3.5
107.08600	19.5
109.02872	1.8
109.06544	8.4
109.10169	9.6
111.08073	5.6
115.05493	1.9
117.07001	8.3
119.04966	1.7
119.08585	32.0
121.06544	6.8
121.10146	12.9
123.08108	10.4
123.11715	1.6
127.03924	2.0
128.06206	3.0
129.07033	6.9
130.07780	3.4
131.08575	16.0
133.10133	17.0
135.07086	2.6
135.08052	22.2
135.11688	4.3
137.09613	14.0
141.06958	2.4
142.07742	5.2
143.08588	14.7
144.09325	1.8
145.10133	30.7
147.08043	8.8
147.11682	12.4
149.09628	28.4
151.11185	3.6
153.01826	3.5
153.07004	2.2
155.08594	8.1
156.09354	4.1
157.06520	1.7
157.08931	2.1
157.10114	16.6
159.08083	4.7
159.11696	15.2
161.09627	12.0
161.13257	7.6
163.11185	5.6
165.01866	1.7
165.06975	1.8
165.09120	5.0
167.08537	3.5
168.09363	2.0
169.10106	11.2
170.10982	2.5
171.08031	4.1
171.11697	13.0
172.12498	1.8
173.09659	7.4
173.13232	10.5
174.10327	2.0
175.11156	9.0
177.09175	1.7
177.12791	2.3
179.08565	4.4
179.10654	2.4
180.09343	2.6
181.10143	7.7
182.10947	2.7
183.11734	11.8
185.09602	6.3
185.13289	12.1
186.10310	1.9
187.11212	18.9
187.14786	4.6
189.12741	5.9
191.10699	2.0
193.10129	4.2
194.10927	2.9
195.11702	13.6
196.12560	1.6
197.09636	2.2
197.13271	10.1
199.11188	6.2
199.14766	7.7
201.05548	1.8
201.12738	8.2
203.14281	3.3
205.10056	1.8
207.11674	4.7
208.12418	3.7
209.13287	8.4
210.14032	1.8
211.11255	4.9
211.14795	6.2
212.11967	1.8
213.12741	19.4
213.16373	2.9
215.14297	6.4
217.10170	1.9
217.12250	2.7
219.11847	3.4
219.13779	3.3
220.12419	2.3
220.76711	1.7
221.13271	6.2
222.13966	1.8
223.11339	2.7
223.14833	6.4
225.12738	5.3
225.16351	3.5
226.13544	1.7
227.14311	4.3
227.18056	1.8
229.04955	5.0
229.15941	3.9
231.11736	1.8
231.13873	1.8
233.13266	2.9
235.14857	5.5
237.12726	4.2
237.16371	5.0
238.13509	1.4
239.14218	7.3
239.17947	2.5
241.15807	4.4
245.13242	2.2
245.15471	4.1
247.14818	3.3
247.17053	1.7
249.12834	2.7
249.16423	3.1
251.14345	4.5
253.15965	7.5
257.04413	3.4
259.14655	2.3
261.12903	1.4
263.14386	2.1
263.17984	3.1
265.15906	4.1
265.19141	1.7
267.17502	5.5
269.18948	6.0
271.16928	1.9
275.14081	1.5
277.15881	3.2
279.17456	5.1
279.21155	1.7
281.16150	1.8
281.18967	10.4
283.20322	1.8
285.18399	2.9
289.19461	1.7
303.04996	100.0
304.05365	4.1
305.19086	3.9
307.20584	11.5
309.22098	2.8
319.20569	1.9
321.21973	1.6
323.20190	3.8
325.21686	7.0
335.20197	3.5
336.26236	2.1
351.23474	1.6
353.21252	2.9
363.23401	2.2
365.24811	4.3
375.22998	2.8
377.24759	2.4
393.24179	16.4
401.28494	2.5
403.26266	1.4
419.29520	7.6
421.27399	66.1
429.27893	6.7
447.29010	20.6
465.29947	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01873	2.8
55.05499	2.8
56.10720	1.0
64.57588	0.9
67.05503	6.6
69.03428	3.1
69.07070	4.3
69.99774	4.6
75.55382	1.0
79.05490	9.5
81.03424	2.1
81.07062	6.1
83.04989	1.4
85.02944	1.0
91.05486	16.2
93.07039	10.9
95.01349	1.1
95.04973	6.8
95.08609	3.9
97.06534	1.9
98.20843	1.8
103.05482	4.1
105.07037	22.4
107.04948	3.8
107.08612	4.2
109.06528	2.8
109.10172	2.8
115.05454	6.5
116.06261	1.2
117.07029	11.5
119.04976	2.5
119.08582	18.4
121.06466	4.2
121.10164	2.9
123.08096	2.4
128.06239	7.3
129.07025	10.4
130.07770	2.2
131.08583	14.0
133.06494	19.3
133.10143	5.9
135.04436	3.2
135.08073	6.1
137.09637	1.3
141.06970	6.5
142.07791	6.6
143.08566	17.3
145.06505	11.3
145.10121	11.5
146.07243	1.1
147.08052	12.5
147.11725	2.3
149.05920	1.1
149.09641	2.5
153.06981	7.0
154.07797	4.1
155.08559	30.4
156.09302	6.1
157.06506	11.3
157.10114	14.2
158.07378	1.5
159.08070	16.6
159.11725	2.9
161.05991	60.2
161.09616	7.1
163.07552	11.9
165.05817	1.6
165.06987	6.4
165.09195	1.3
166.07817	3.0
167.08546	11.5
168.09389	5.5
169.06487	6.0
169.10136	15.0
170.07353	2.7
170.11020	2.0
171.08066	9.1
171.11682	8.9
173.09644	7.8
173.13307	2.2
175.07594	4.1
175.11232	2.0
178.07814	1.7
179.08589	3.6
180.09389	5.3
181.06544	3.4
181.10104	7.1
182.07285	2.5
182.10938	10.1
183.08072	24.3
183.11696	10.2
184.08873	7.3
185.09671	14.5
185.13280	4.3
186.10521	1.5
187.07570	2.8
187.11224	2.8
187.14882	1.5
189.12727	1.2
192.09377	3.6
193.10156	2.7
194.11014	1.3
195.08041	7.4
195.11681	9.7
196.08855	8.3
197.09663	12.4
197.13258	28.3
198.10442	2.4
199.07582	4.8
199.11194	34.6
199.14835	5.1
200.12019	2.8
201.09171	4.7
201.12740	7.8
203.08643	1.6
203.10670	1.7
206.10979	1.2
207.08125	1.3
207.11794	4.7
209.09624	5.9
209.13315	4.7
210.10426	11.7
211.11168	5.7
213.09184	2.4
213.12762	7.9
215.14340	7.2
217.12315	1.3
221.09625	2.1
221.13297	1.1
223.11253	6.8
225.09241	3.0
225.12746	100.0
226.13560	5.0
227.10695	4.0
227.14317	11.7
229.12346	1.7
233.09706	2.6
235.11227	1.9
237.12753	1.5
239.10728	2.8
241.12335	2.0
242.10764	1.3
243.13823	55.1
245.09573	1.9
245.15520	1.4
247.11177	1.7
249.12773	2.2
253.10149	1.3
258.10263	1.1
259.11072	1.5
259.13391	1.9
260.11917	1.4
261.12689	2.5
261.15131	1.7
263.14615	1.6
265.12317	1.2
271.11133	1.8
273.12811	1.7
275.14212	2.5
281.09662	1.2
284.11850	1.5
285.14954	18.0
287.14221	1.9
289.12170	1.1
296.12161	2.0
297.12827	1.1
299.14447	2.0
301.15829	3.8
302.54520	1.0
303.05038	2.9
303.16064	7.4
311.14294	2.2
312.14902	1.1
313.12265	1.9
317.15485	2.1
326.16568	1.6
327.13931	2.3
327.17545	2.6
329.15436	3.1
331.17004	1.6
341.19165	3.3
343.16968	7.5
345.14694	1.8
345.18317	6.4
357.18475	2.7
359.20071	4.5
361.17984	13.2
363.19589	3.4
369.18585	11.5
375.19620	2.1
377.21216	2.0
387.19568	51.3
405.20596	49.8
423.21481	1.3
429.20728	2.8
447.21738	12.9
465.22833	43.7
465.29178	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	465.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
61.33392	0.9
67.05500	1.7
69.03408	3.1
70.06580	1.3
70.59888	2.8
71.98592	0.8
79.05470	1.5
81.03410	2.6
81.07052	1.1
85.02909	3.2
93.07040	1.6
95.04967	1.2
97.02883	1.0
100.07603	2.1
101.07970	1.2
106.06561	1.2
107.07332	0.9
108.04470	1.2
110.06049	1.4
120.08140	1.7
121.08920	1.2
122.06023	0.9
127.03855	1.3
131.58975	0.9
132.08128	1.4
134.05936	1.1
136.07622	1.1
137.02393	1.1
137.05986	2.9
140.07074	1.4
145.05063	1.0
146.06056	1.3
146.09621	0.9
148.07578	4.1
150.15753	0.9
152.07057	2.2
153.05522	0.9
155.11752	1.0
160.07539	2.6
162.05528	3.4
163.28539	0.9
166.08719	1.1
168.06566	1.3
174.07831	2.2
176.07092	1.9
178.08524	1.2
185.10826	0.9
186.09088	1.3
187.08644	1.4
188.07013	1.3
190.08688	1.5
193.12331	1.8
194.08139	3.0
199.08681	1.6
201.10255	3.2
202.08545	1.1
213.10315	2.6
214.08672	2.2
214.10983	2.2
215.08092	1.0
215.11781	4.1
225.10248	2.6
227.08099	1.8
227.11749	5.1
228.12538	1.1
229.09763	2.8
229.13367	2.3
232.09846	1.2
237.10300	1.0
239.11732	1.8
241.09723	5.1
241.13400	1.4
242.10556	1.9
243.08786	8.9
243.11319	2.6
244.09576	5.2
253.09694	1.0
253.13324	1.7
255.11255	9.1
256.11957	1.3
257.12857	1.4
267.11459	1.2
267.16022	1.8
267.19662	1.6
269.09338	1.2
269.12894	4.4
273.12396	2.6
275.13950	2.2
281.12973	2.5
283.10907	1.9
285.12448	1.3
287.10815	1.1
287.13757	4.4
297.12238	5.7
298.13083	1.8
299.13934	10.8
301.12021	1.6
302.12668	1.8
303.05063	13.9
303.13434	5.8
303.16479	1.0
311.13864	1.1
315.13358	26.8
316.14117	14.1
317.14880	3.2
325.11905	1.7
328.13916	1.0
337.15698	1.4
339.13504	1.1
341.15033	1.3
343.12958	3.2
345.14462	1.4
355.12732	1.6
355.16547	3.4
357.14554	2.0
365.14917	2.3
369.14059	1.1
375.15405	6.3
378.15326	6.8
379.16113	2.0
381.14407	1.3
383.16180	2.0
387.15512	1.3
393.14584	3.6
399.15442	10.0
401.17316	1.5
403.14804	1.2
411.15472	8.8
419.18118	1.4
426.81360	1.0
429.16583	24.2
429.22165	1.8
447.17654	51.9
465.18723	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80939	0.8
54.82852	0.9
55.01879	2.1
57.03422	1.3
64.00107	0.8
67.05518	2.4
69.03441	2.8
69.07088	1.5
71.04985	2.2
79.05494	1.3
81.03433	4.3
81.07055	1.5
82.06576	1.5
83.08627	1.0
85.02918	3.6
93.07065	1.8
94.06584	1.0
95.08608	1.8
95.82067	1.0
97.02912	1.2
97.06538	1.6
99.04469	1.2
100.07613	1.6
105.98096	0.9
106.06580	1.2
107.04996	1.0
107.08645	1.3
109.02930	1.4
114.00519	0.9
119.08652	1.0
120.08129	2.3
121.10107	1.7
123.98830	0.9
126.90842	0.9
127.03955	2.3
132.08130	1.2
134.06071	2.5
135.08139	1.0
137.02370	1.6
137.06004	1.5
140.07089	1.2
142.45015	0.9
145.10214	1.0
146.06073	1.0
148.07587	5.1
152.07053	1.5
153.01883	2.7
160.07605	1.3
165.01869	1.3
172.08685	7.5
173.05893	1.0
174.07956	1.3
175.08684	1.2
178.08701	1.6
186.10338	1.5
187.07388	5.1
193.12306	3.0
194.08212	3.1
199.07489	4.2
200.08292	1.4
201.10274	2.0
202.11060	1.5
213.10352	2.6
214.08606	1.6
214.11139	1.6
215.08406	1.1
215.11902	3.9
216.07805	7.5
216.10030	1.9
227.11931	3.7
229.04973	1.3
229.09790	2.7
229.13441	1.8
230.10335	0.9
237.10284	1.2
239.11795	2.3
241.09749	2.0
241.13504	1.3
242.10402	1.3
243.08801	100.0
244.07278	1.9
244.09564	55.1
245.10286	1.6
253.13431	1.8
255.11340	8.1
256.12112	1.6
257.04590	1.5
257.10400	6.5
257.12845	1.4
267.11563	1.3
267.16034	2.2
267.19540	1.2
269.13025	3.2
273.12518	2.7
275.14029	1.4
279.11554	1.5
281.12830	2.4
283.10873	2.2
285.12390	2.4
285.17010	2.9
287.13715	4.8
297.12286	5.7
298.13235	1.6
299.13916	10.4
301.11813	2.2
302.12775	2.3
303.05011	53.8
303.13489	4.1
304.05399	1.2
315.13388	25.8
316.14160	13.8
317.15125	3.1
327.13446	1.1
343.13123	2.3
345.14557	2.4
347.16299	1.1
355.16711	2.3
357.14554	1.3
360.14484	1.1
365.15192	2.2
369.14746	1.8
375.15628	7.4
378.15353	73.3
379.16132	29.6
383.16278	2.6
387.15619	2.0
393.14645	2.8
399.15536	12.6
401.17188	2.4
411.15552	6.5
429.16580	22.0
429.22055	1.3
447.17804	58.4
465.18860	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1373
Annotation	Keyakinol
Peak:m/z	Relative Intensity
53.03950	0.4
55.05515	0.7
61.02943	0.7
67.05499	1.6
69.03432	1.4
69.07047	0.9
70.06598	0.5
70.61803	0.4
71.21434	0.5
79.05491	1.4
79.09374	0.5
81.03411	1.4
81.07069	3.6
83.04977	0.8
83.19627	0.4
84.08137	0.5
85.02917	2.5
90.11900	0.4
91.05489	1.9
93.04424	0.5
93.07050	1.5
95.04984	1.1
95.08619	1.7
97.02898	1.2
97.06519	0.5
99.04481	0.4
105.07053	2.6
107.08604	1.5
109.02876	0.7
109.06521	0.9
109.10132	0.9
111.04408	0.7
117.07027	0.8
119.08595	2.9
119.92254	0.5
121.10163	1.1
123.08053	0.5
123.11736	0.7
126.99969	0.5
127.03936	1.4
131.08624	1.0
133.10165	1.0
135.08060	0.8
137.09709	0.5
142.07874	0.5
143.08565	1.0
145.06471	0.5
145.10123	0.7
147.07983	0.7
147.11713	1.6
153.05513	1.2
157.10117	1.0
159.08012	0.6
159.11708	0.9
161.09590	0.7
163.07603	0.6
173.13205	0.5
183.11832	0.7
185.04236	0.8
189.16411	0.5
199.11237	0.9
199.14854	0.9
201.05299	1.4
207.11797	0.5
216.07597	10.6
217.08383	8.2
217.10294	0.6
225.12917	0.6
227.05322	2.0
267.15933	1.0
271.04333	1.7
285.16980	2.5
295.10446	0.9
303.05026	12.5
366.37073	0.5
379.13626	4.2
384.22119	0.5
387.19547	1.1
405.20615	1.7
421.14755	26.8
439.13153	0.5
465.13745	100.0
466.14096	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03936	0.5
55.01861	0.5
57.03448	0.8
61.02934	1.5
68.99791	0.8
69.03436	2.7
70.85963	0.2
70.86279	0.3
71.05010	0.2
73.02901	0.6
81.03040	0.2
81.03424	1.6
83.01343	0.2
85.02910	8.8
87.04462	0.4
89.64400	0.1
91.03947	0.6
95.04954	0.3
97.02283	0.2
97.02892	3.3
99.04454	0.6
107.51271	0.1
109.02898	1.3
110.58354	0.1
111.00777	0.9
121.02898	0.9
123.04374	0.2
127.03930	1.8
135.04410	0.2
137.01367	0.2
137.02359	3.0
137.03442	0.3
145.04950	1.9
145.06091	0.2
148.07579	0.2
149.02365	0.6
151.03877	0.2
153.01840	4.4
161.05998	0.2
163.03888	0.5
165.01840	1.7
166.02565	0.2
168.51881	0.1
173.06038	0.3
177.01843	0.2
183.02887	1.0
183.04379	0.2
186.73053	0.1
187.03889	0.5
191.03336	0.2
195.02939	0.3
201.05493	1.7
205.05046	0.2
207.02885	0.2
213.05353	0.2
219.06491	0.2
228.04247	0.2
229.04982	4.4
239.03633	0.2
239.21579	0.2
247.06026	0.7
257.04507	2.5
274.04709	0.7
275.05487	0.2
277.69751	0.2
285.03940	1.3
303.05008	100.0
304.05405	1.0
315.04913	0.3
345.05878	0.2
369.06226	0.2
447.09363	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03942	0.7
55.01868	0.8
56.52454	0.3
57.03452	1.5
61.02931	2.0
68.99801	0.8
69.03436	2.9
70.88035	0.7
71.04985	0.6
75.48745	0.4
81.03408	2.5
85.02911	10.9
87.04433	0.3
91.03957	0.4
97.02905	3.9
99.04454	0.4
100.03178	0.3
109.02878	1.3
111.00819	0.7
118.02068	0.3
121.02888	1.1
127.03905	1.5
137.02345	4.0
145.04938	2.0
149.02394	0.7
153.01852	5.0
155.04985	0.3
163.03909	1.0
165.01845	2.3
173.06012	0.8
183.02922	1.1
183.04413	0.3
195.02814	0.4
201.05511	2.6
229.04961	5.8
246.19725	0.3
247.06062	0.8
257.04468	3.6
274.04639	0.9
285.03955	1.6
303.05005	100.0
304.02310	0.4
304.05276	1.5
337.75943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
50.37314	0.2
53.03930	0.2
57.03433	0.5
59.76942	0.2
61.02928	6.2
61.79990	0.2
68.60788	0.2
68.99789	0.6
69.03438	1.1
69.10812	0.2
70.67971	0.6
71.01360	0.2
71.04983	0.3
73.02919	1.9
81.03394	0.5
85.02908	5.5
91.03950	3.8
93.03397	0.4
93.74444	0.2
97.02890	3.6
99.04460	0.5
109.02859	0.8
111.00810	1.0
115.03938	0.2
121.02864	1.1
123.04416	0.4
127.03941	1.1
137.02357	3.5
145.04942	0.8
145.06226	0.2
149.02339	0.5
153.01839	4.5
155.04948	0.3
163.03912	0.2
165.01852	2.0
166.02664	0.3
173.06030	0.4
183.02901	0.8
186.69955	0.2
187.03897	0.3
195.02933	0.3
201.05458	1.7
215.03326	0.2
219.06470	0.4
229.02650	0.2
229.04941	4.3
247.06067	0.7
257.04446	2.9
274.04691	0.8
275.05475	0.2
285.03973	1.3
303.04996	100.0
304.05359	1.2
405.45029	0.2
423.41217	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13690	2.9
55.05497	11.9
57.07061	11.0
67.05505	38.2
69.07076	24.1
71.56432	4.4
71.56857	4.5
71.85262	2.8
73.06550	3.4
79.05482	11.4
81.07059	36.0
83.08617	9.8
91.05492	9.6
93.07056	23.3
95.08080	2.9
95.08612	62.2
105.07030	34.5
107.08613	34.3
109.09469	6.0
109.10165	100.0
116.61430	3.4
119.08577	34.5
121.10145	26.7
123.08067	3.2
123.11720	41.5
133.10170	24.3
135.11688	17.5
145.10086	4.7
147.11681	33.2
149.13297	8.7
159.11679	8.6
161.13249	25.2
163.11150	6.4
163.14812	5.6
169.08582	3.8
171.13820	16.9
173.13290	5.5
174.12785	3.3
175.14841	7.7
187.14761	3.8
189.16420	8.7
199.14799	4.4
203.17928	17.1
205.15881	14.0
217.19525	34.6
271.24185	4.0
281.22495	4.3
367.29620	3.3
380.29309	6.2
405.35281	5.3
422.91806	3.1
423.36282	32.8
464.38925	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39037	2.0
53.03941	3.0
55.01867	4.4
55.05504	3.9
57.03429	2.4
67.05497	4.9
69.03439	13.7
69.07063	2.6
70.06576	6.3
70.55551	2.0
71.01344	2.5
71.04987	14.9
72.08139	2.2
73.02895	3.4
79.05484	13.1
81.03448	10.9
81.07050	7.5
83.04971	4.9
83.08613	3.1
84.08167	2.6
85.02437	2.6
85.02905	31.2
85.06555	2.6
87.00824	7.2
90.21318	2.3
91.05451	11.3
93.07060	17.5
95.04974	7.3
95.08609	4.7
97.02884	12.8
97.06514	4.6
99.04472	10.7
100.07614	6.3
102.36984	2.2
103.05476	3.7
105.01864	6.7
105.03383	5.2
105.07037	16.2
107.04938	10.3
107.08607	12.1
109.02891	12.3
109.06507	3.1
111.04493	2.5
116.07075	7.5
119.05003	2.8
119.08551	7.0
121.06503	3.6
121.10146	100.0
123.04461	2.5
123.08101	4.7
125.05995	5.8
127.03928	25.6
129.06935	2.9
131.04941	7.4
131.08582	5.4
133.06444	3.0
133.10106	6.7
135.04440	6.0
135.08025	2.6
135.11687	10.1
137.05960	8.3
143.07048	3.4
143.08540	6.7
145.04973	7.6
145.10149	5.2
147.08060	2.2
149.05978	5.6
151.03891	4.6
153.05443	2.9
157.10097	3.7
159.02856	3.3
159.08034	3.7
159.11758	3.2
161.09637	7.8
163.07512	4.5
163.11165	13.8
167.07103	12.2
167.08414	2.7
171.08128	5.8
179.10686	3.3
181.12242	94.6
185.08070	3.0
185.09616	8.1
189.09096	14.0
199.13268	31.7
201.12657	2.2
207.10197	12.7
211.09671	2.8
213.09117	3.9
216.09331	2.4
225.45920	2.6
231.04993	5.3
231.10081	6.5
236.17139	2.4
247.04408	2.4
249.11226	17.2
249.14952	5.8
267.09088	4.3
267.12283	59.1
267.15408	4.4
285.17035	2.8
301.30502	2.6
303.04965	6.1
319.04514	20.6
355.35330	2.1
464.16272	3.5
467.90613	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	463.3784
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
55.05505	31.6
57.07072	37.0
57.87670	11.0
60.10085	10.5
65.22077	10.7
67.05497	16.1
69.07066	61.1
71.08614	37.3
71.55541	13.1
71.55957	13.5
79.05502	26.0
81.07063	52.2
83.08616	35.3
84.69225	10.5
85.10191	16.4
91.05473	12.6
93.07076	28.0
95.08607	72.7
97.10180	36.2
105.07025	29.6
107.08591	51.1
109.10136	39.6
119.08630	26.6
121.10152	29.0
123.11706	20.6
131.08630	18.0
133.10141	27.4
134.54396	9.5
135.08037	11.8
135.11679	20.2
137.13300	12.8
137.48946	10.9
139.07652	16.6
145.10092	26.2
147.11703	20.4
149.13219	17.3
157.10112	16.6
159.11713	22.0
161.13234	13.2
163.14792	23.7
175.14771	11.2
185.13249	12.1
191.10760	13.4
198.22247	11.2
243.90080	11.1
287.20123	15.5
343.33612	24.2
353.61938	10.2
427.35605	58.5
435.25073	14.6
445.36765	100.0
463.23825	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	463.3784
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
54.10398	1.2
55.05521	12.1
57.07079	32.7
67.05494	6.2
69.03442	1.5
69.07072	22.1
71.08640	22.3
71.19605	2.0
79.05499	4.9
81.07054	19.5
83.08630	18.4
85.10192	13.0
91.05486	2.3
93.07057	6.2
93.70554	1.4
95.08606	15.8
97.02849	1.7
97.06538	3.3
97.10170	9.5
99.04446	3.9
99.11694	1.5
105.07063	7.6
107.04964	1.8
107.08595	5.2
109.06524	11.2
109.10145	7.3
111.11731	6.2
119.08596	5.1
121.10147	4.4
123.08072	11.1
123.11742	3.5
125.06007	14.3
125.09641	1.9
127.07574	39.1
131.08627	1.7
133.10173	2.8
135.08081	3.6
135.11690	1.9
137.06001	4.4
137.09625	4.0
139.07553	100.0
147.08142	1.7
147.11679	1.9
149.05969	3.2
151.07565	5.9
151.11278	1.8
161.09657	1.6
161.13239	1.9
163.07576	2.8
165.09084	3.7
167.07014	4.9
175.20273	1.4
177.09140	17.1
189.12813	2.6
195.10179	1.9
207.13860	2.0
221.15356	1.9
249.14926	1.8
251.06697	1.6
301.28903	4.6
319.30081	9.0
347.32983	14.1
365.06064	1.7
373.30969	3.5
399.36252	3.3
403.35757	2.2
417.37253	19.2
427.35843	3.0
432.25629	1.6
445.36780	58.7
463.37860	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3785
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03981	1.3
54.73596	1.0
55.01859	1.8
55.05514	14.7
57.07081	34.7
57.60454	1.2
60.04075	1.1
60.19504	1.2
67.05500	5.5
68.27981	1.2
69.07072	27.6
71.04997	1.4
71.08637	25.9
71.30491	1.1
71.30825	2.0
79.05493	6.3
81.07066	22.8
83.08624	20.6
83.66111	1.2
85.10185	14.9
91.05472	4.3
93.07038	7.6
95.04961	1.2
95.08615	20.2
95.09187	2.3
97.02908	1.3
97.06529	3.1
97.10174	13.0
99.04468	5.7
105.07030	6.0
107.04995	1.6
107.08607	6.8
109.06536	14.4
109.10161	9.3
111.08099	2.6
111.11716	7.5
119.08591	5.6
121.06495	1.7
121.10161	4.6
123.08096	10.5
123.11713	2.6
125.05994	17.6
125.09615	3.0
127.07566	42.9
129.06993	1.2
131.08580	3.1
133.10124	3.9
135.08055	3.6
135.11708	2.8
137.05956	8.1
137.09630	4.1
137.13249	1.5
139.07547	100.0
147.11685	3.4
147.43669	1.5
149.06000	5.3
149.09627	3.1
149.13322	2.2
151.07524	8.3
151.11218	2.1
153.09160	2.6
154.93442	1.2
155.77364	1.2
159.11819	1.5
161.09599	2.2
161.13281	2.9
163.07603	2.7
165.09140	3.1
167.07059	5.9
175.11206	3.0
175.14838	2.0
177.09106	16.1
189.12679	1.6
193.12296	2.3
195.13701	1.6
203.14452	1.7
235.17097	1.3
249.14836	2.5
291.23157	1.8
301.28989	5.8
305.21228	1.2
319.29916	11.9
347.33145	16.8
355.30109	1.8
373.31238	4.5
385.34732	2.4
389.38309	1.4
399.36194	4.4
403.35672	3.5
417.37283	19.1
427.35767	4.2
445.36795	85.7
463.37857	79.4
463.44458	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	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
52.84264	6.1
55.05510	48.5
56.69471	6.6
57.06873	6.2
57.07079	71.0
67.05489	22.2
69.07062	81.6
71.08633	55.1
79.05479	13.5
81.07066	71.8
83.08624	64.1
85.10167	28.4
85.57175	6.5
91.05476	21.8
93.07071	37.7
95.08600	67.9
97.06503	8.5
97.10167	44.3
105.07012	39.4
107.08582	60.3
107.59061	10.3
109.06488	28.2
109.10169	35.7
111.08079	25.7
111.11710	29.9
111.66744	6.8
119.08588	41.1
121.06482	13.7
121.10132	21.9
123.08073	14.5
123.11689	28.3
125.05994	30.6
125.13302	8.8
126.87871	8.3
131.08597	8.4
133.10133	29.4
135.08052	31.8
135.11674	14.5
137.05963	15.6
137.09619	10.0
137.13280	14.4
139.07561	17.5
141.09093	18.3
145.10147	13.3
147.11665	30.8
149.13263	12.3
151.07532	21.1
151.14726	9.8
157.10173	10.4
159.11655	12.6
161.09622	12.0
161.13263	29.8
163.14833	10.0
165.09103	16.2
175.14862	8.5
177.09122	9.8
181.08578	14.5
181.27393	7.9
187.11188	9.4
189.12762	10.6
277.17825	9.7
291.19376	9.0
307.30124	9.3
319.22797	16.0
333.24219	9.6
345.31558	9.6
357.35062	33.1
375.36020	20.2
399.36118	29.4
403.35391	8.0
417.37094	26.8
427.35638	34.7
445.36871	100.0
447.09839	9.7
463.37878	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Dacryhainansterone
Peak:m/z	Relative Intensity
53.03951	8.1
55.05515	21.3
57.03424	3.2
57.07067	3.0
67.05509	56.4
69.07059	15.5
71.56185	2.8
79.05500	46.6
81.03391	3.0
81.07063	54.3
83.04950	4.7
83.08638	8.4
85.06570	2.9
91.05489	56.7
93.07047	43.9
95.04974	10.5
95.08605	40.7
97.06549	7.6
97.10185	7.4
100.76530	2.9
105.03395	9.0
105.07039	54.9
106.03698	6.3
107.08580	20.4
109.06541	5.4
109.10165	17.1
111.08099	3.9
113.59669	2.9
115.05496	3.9
117.07013	30.8
119.08598	30.0
120.56047	2.9
121.06502	5.0
121.10155	13.2
123.08046	3.4
123.11654	4.5
129.07021	19.0
131.08574	42.6
133.06537	4.2
133.10144	22.9
135.08070	6.2
135.11716	5.4
141.07011	5.0
143.08585	23.9
145.10146	24.2
147.08029	5.7
147.11697	7.9
149.09615	6.0
149.13249	4.5
155.08560	10.8
157.10210	13.9
157.68008	3.6
159.11691	12.6
161.13339	3.8
167.08594	4.5
169.10179	9.6
171.11719	8.5
172.83400	3.1
173.13243	5.3
181.10098	5.7
183.11635	7.1
185.13330	5.4
187.14748	4.7
195.11714	5.5
197.13240	6.4
199.14798	3.8
209.13408	4.5
223.14990	3.9
225.16428	4.6
241.15926	3.4
261.18631	3.3
325.25345	5.8
335.23532	7.1
343.26349	9.5
353.24753	30.7
371.25873	33.5
389.26938	41.6
427.28354	5.1
445.29544	100.0
463.20645	4.3
463.30560	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3059
Annotation	3-Dehydroecdysone
Peak:m/z	Relative Intensity
52.80627	1.2
53.03946	4.2
54.98285	1.3
55.01875	4.7
55.05516	19.5
57.03434	7.9
57.07068	3.2
59.04982	2.1
65.03945	3.8
67.05510	56.1
69.03426	2.5
69.07078	20.8
69.53991	2.6
69.54403	7.5
71.04990	4.0
72.37124	1.3
79.05063	2.7
79.05500	41.2
79.05967	2.1
81.07060	58.8
83.04986	6.0
83.08635	12.1
85.06515	3.2
87.04472	2.1
89.03943	2.0
91.05488	66.1
93.07051	47.6
95.04994	7.6
95.08614	36.0
97.06548	8.0
97.10175	4.3
100.61185	1.3
103.05497	3.1
105.07042	52.5
107.04957	3.4
107.08602	27.1
109.06535	6.3
109.10171	14.8
111.08091	2.8
115.05487	2.0
117.03377	9.2
117.07025	25.3
119.04911	2.3
119.08590	31.7
121.06526	6.3
121.10158	17.5
123.08095	4.7
123.11728	4.8
125.09647	2.4
128.06264	3.8
129.07019	15.4
131.05057	2.2
131.07608	1.9
131.08586	38.2
133.06479	3.2
133.10139	22.2
135.08086	6.0
135.11679	9.3
137.04013	1.5
137.09616	1.9
141.07031	5.2
143.08580	17.3
145.02855	22.7
145.06551	3.9
145.10138	22.0
147.04419	3.4
147.08099	6.9
147.11720	5.1
149.06000	2.0
149.09642	4.0
149.13289	7.1
151.11244	3.9
155.08597	7.8
157.10188	10.9
159.08113	2.2
159.11708	13.0
161.09601	3.5
161.13255	3.4
163.11214	2.8
166.55696	1.4
167.08611	3.2
169.10094	8.8
171.08153	2.8
171.11671	7.1
173.09657	3.0
173.13283	5.7
175.11238	1.5
177.05486	49.2
177.12704	2.6
181.10185	5.3
183.11819	4.4
185.13275	5.3
187.11220	1.6
187.14847	3.4
195.06554	11.3
195.11761	4.3
195.13705	2.8
196.76265	1.6
197.09680	1.9
197.13344	4.9
199.11288	3.0
199.14952	3.0
201.16518	1.7
203.14386	1.9
209.13326	3.8
211.14925	5.1
215.17935	2.9
219.06667	1.5
223.14893	2.5
225.09244	1.9
227.14478	2.4
229.16071	2.1
233.15385	2.4
233.18973	1.9
241.15929	3.0
247.17076	3.7
248.92563	1.5
251.20169	4.1
255.17471	2.1
261.18634	2.2
271.16965	1.6
273.18573	1.9
276.31802	1.5
287.20169	1.8
325.25412	5.3
335.23810	6.3
343.26334	11.9
353.24741	26.1
371.25797	34.8
372.25717	2.3
374.85196	1.6
389.26907	29.4
417.30365	1.7
427.28635	5.6
435.30182	1.8
445.29529	100.0
446.30026	2.2
463.16962	7.0
463.30692	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	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59085	1.3
53.03947	4.9
55.01876	4.1
55.05516	21.1
57.03440	7.8
57.07055	1.6
65.03938	4.0
67.05509	66.4
69.07075	18.2
70.48801	1.2
71.05013	3.0
72.29664	1.2
75.61449	1.6
79.05498	41.1
81.03445	1.3
81.07062	66.9
83.04987	3.3
83.08628	11.9
85.06545	3.4
89.03928	5.8
91.05487	58.5
93.07051	42.7
95.04979	5.7
95.08618	45.8
97.06528	5.5
97.10188	3.7
98.21603	2.5
99.08124	2.0
101.06024	1.4
103.05481	2.2
105.04568	1.8
105.07037	52.1
107.04994	3.3
107.08603	25.7
109.06544	5.5
109.10165	15.6
111.08127	3.9
115.05455	2.4
117.03383	18.1
117.07030	27.8
118.90291	1.4
119.08591	31.8
121.06532	6.5
121.10149	15.4
123.08095	4.1
123.11737	4.2
125.09652	2.4
128.06233	3.5
129.07022	16.4
130.07819	3.5
131.08580	42.7
133.06485	3.3
133.10130	23.0
134.03654	1.6
135.04456	2.9
135.08089	5.0
135.11670	9.7
137.09642	3.7
139.11226	1.6
141.07011	4.6
142.07780	2.4
143.08563	14.1
145.02852	50.8
145.06508	3.0
145.10133	23.9
147.08090	4.2
147.11728	6.7
149.05989	9.1
149.09692	3.9
149.13284	5.1
151.11157	6.2
155.08574	10.2
155.10796	1.5
157.10129	12.6
159.08080	2.3
159.11731	12.2
161.09685	2.5
161.13258	3.7
163.03984	3.7
163.11221	2.5
167.08614	3.3
169.10130	7.4
171.08075	1.8
171.11699	9.2
173.09654	3.1
173.13354	5.3
175.11223	1.8
177.05484	100.0
177.12695	1.6
181.10182	5.3
183.11725	5.2
185.13329	5.0
186.05519	1.4
187.11188	2.1
187.14912	4.5
193.10109	1.4
195.06555	29.2
195.08295	2.5
195.11748	4.1
195.13805	2.2
197.13313	4.2
199.14902	3.3
209.13367	4.2
211.14911	4.3
213.12903	1.7
213.16548	1.6
214.21262	1.4
215.17964	7.0
219.13942	1.8
219.17540	2.4
223.14920	2.4
227.18066	1.9
229.15831	3.3
233.15398	3.8
233.19101	4.8
237.16553	1.6
245.15315	2.0
247.17067	3.2
251.20088	11.2
255.17523	2.4
259.17081	3.5
261.18686	2.6
273.18561	3.3
277.18246	1.6
325.25421	2.9
335.23553	8.8
343.26367	9.8
346.80048	1.5
353.24792	27.6
371.25864	33.4
389.26859	38.5
422.10406	1.4
427.28619	4.0
445.29538	76.5
463.30673	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	11.9
55.05517	34.8
57.03430	20.3
59.45310	5.3
60.31430	5.3
61.02917	8.4
63.73151	4.6
64.03652	4.8
64.46524	5.0
67.05511	45.2
69.03425	30.3
69.07065	28.1
69.41402	8.6
69.41804	36.5
70.06623	6.1
71.04999	33.5
79.05495	39.4
81.03430	15.7
81.07059	94.3
83.04978	24.6
83.08636	28.2
85.02912	34.4
85.06540	15.7
86.09708	8.4
91.05479	32.4
93.07044	100.0
95.04964	21.8
95.08617	97.9
97.02921	14.0
97.06524	37.8
97.10173	8.7
98.20817	11.6
99.04489	14.4
99.08090	9.5
100.11257	34.2
101.11618	7.6
105.07028	44.6
107.04932	9.4
107.08603	54.7
109.02858	9.4
109.06520	34.1
109.10171	53.0
111.04453	7.6
111.08095	43.0
113.09650	83.4
117.07028	9.8
119.08574	45.5
120.04461	4.9
121.06490	29.9
121.10139	45.2
122.06026	12.9
123.08067	23.1
123.11718	20.7
124.03886	8.5
125.05993	18.3
125.09638	29.1
127.03909	24.1
127.07565	11.9
129.06976	8.1
129.09142	34.8
131.08549	15.7
133.06473	9.9
133.10173	31.5
135.08070	12.1
135.11746	14.9
136.06192	15.2
137.05972	44.3
137.09624	16.4
139.07529	56.8
139.11118	7.2
143.07028	15.8
143.08537	9.1
145.05045	7.5
145.06442	10.0
145.10132	30.8
147.08032	9.3
147.11676	27.2
149.05957	5.2
149.09634	10.0
149.13271	40.9
151.07596	10.0
151.11188	5.9
155.10616	9.7
157.08626	64.6
157.09959	9.4
159.08054	12.4
159.11687	15.0
161.05904	8.3
161.09613	10.7
161.13287	10.2
162.58986	5.5
163.11182	12.0
163.14825	6.6
167.07068	5.6
169.08629	7.6
169.10049	7.6
171.11758	10.1
173.09666	6.0
173.13274	11.9
175.11314	5.5
177.16356	15.7
181.10020	6.5
182.15437	9.2
187.14832	15.3
197.09862	6.5
201.16446	6.5
203.17992	17.1
205.15933	10.3
210.15031	5.6
211.14890	8.4
221.18935	8.3
223.16945	14.7
229.15843	9.6
231.13829	13.4
239.20091	8.0
247.16861	29.7
255.38005	5.3
265.18057	39.5
283.19080	16.7
283.53677	6.4
301.20145	19.0
313.11691	7.1
364.72543	5.9
390.31256	14.5
431.18149	16.7
433.16418	6.0
453.84552	8.3
454.34552	7.9
463.32501	11.6
470.58008	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	463.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	11.9
55.05517	34.8
57.03430	20.3
59.45310	5.3
60.31430	5.3
61.02917	8.4
63.73151	4.6
64.03652	4.8
64.46524	5.0
67.05511	45.2
69.03425	30.3
69.07065	28.1
69.41402	8.6
69.41804	36.5
70.06623	6.1
71.04999	33.5
79.05495	39.4
81.03430	15.7
81.07059	94.3
83.04978	24.6
83.08636	28.2
85.02912	34.4
85.06540	15.7
86.09708	8.4
91.05479	32.4
93.07044	100.0
95.04964	21.8
95.08617	97.9
97.02921	14.0
97.06524	37.8
97.10173	8.7
98.20817	11.6
99.04489	14.4
99.08090	9.5
100.11257	34.2
101.11618	7.6
105.07028	44.6
107.04932	9.4
107.08603	54.7
109.02858	9.4
109.06520	34.1
109.10171	53.0
111.04453	7.6
111.08095	43.0
113.09650	83.4
117.07028	9.8
119.08574	45.5
120.04461	4.9
121.06490	29.9
121.10139	45.2
122.06026	12.9
123.08067	23.1
123.11718	20.7
124.03886	8.5
125.05993	18.3
125.09638	29.1
127.03909	24.1
127.07565	11.9
129.06976	8.1
129.09142	34.8
131.08549	15.7
133.06473	9.9
133.10173	31.5
135.08070	12.1
135.11746	14.9
136.06192	15.2
137.05972	44.3
137.09624	16.4
139.07529	56.8
139.11118	7.2
143.07028	15.8
143.08537	9.1
145.05045	7.5
145.06442	10.0
145.10132	30.8
147.08032	9.3
147.11676	27.2
149.05957	5.2
149.09634	10.0
149.13271	40.9
151.07596	10.0
151.11188	5.9
155.10616	9.7
157.08626	64.6
157.09959	9.4
159.08054	12.4
159.11687	15.0
161.05904	8.3
161.09613	10.7
161.13287	10.2
162.58986	5.5
163.11182	12.0
163.14825	6.6
167.07068	5.6
169.08629	7.6
169.10049	7.6
171.11758	10.1
173.09666	6.0
173.13274	11.9
175.11314	5.5
177.16356	15.7
181.10020	6.5
182.15437	9.2
187.14832	15.3
197.09862	6.5
201.16446	6.5
203.17992	17.1
205.15933	10.3
210.15031	5.6
211.14890	8.4
221.18935	8.3
223.16945	14.7
229.15843	9.6
231.13829	13.4
239.20091	8.0
247.16861	29.7
255.38005	5.3
265.18057	39.5
283.19080	16.7
283.53677	6.4
301.20145	19.0
313.11691	7.1
364.72543	5.9
390.31256	14.5
431.18149	16.7
433.16418	6.0
453.84552	8.3
454.34552	7.9
463.32501	11.6
470.58008	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	463.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.9
55.01861	8.9
55.05507	10.6
57.03424	4.2
61.02930	6.1
65.03932	6.6
67.05511	23.1
69.03426	17.9
69.07072	15.1
71.05002	9.5
71.55544	7.1
79.05499	19.7
81.03416	19.1
81.07069	26.7
83.04990	7.6
85.02916	24.2
85.06540	10.4
87.00813	5.7
87.88779	4.6
91.05476	22.4
93.07032	20.4
95.04964	22.5
95.08621	38.4
97.02900	14.0
97.06506	5.3
99.04426	5.8
99.08056	6.0
103.05448	7.1
105.01866	6.2
105.07036	35.0
107.04965	9.4
107.08595	20.3
108.08896	4.5
109.02882	9.6
109.06493	14.9
109.10146	12.8
111.08096	6.1
115.05483	5.9
117.07026	11.0
119.04977	6.5
119.08597	34.6
120.08182	5.3
121.06534	13.6
121.10129	12.5
123.08056	18.9
123.11729	6.6
127.03924	21.2
129.07022	7.0
131.04953	4.9
131.08557	37.0
133.06499	25.0
133.10168	25.2
135.08038	18.4
136.06175	11.2
137.05983	15.6
139.11261	5.7
142.07751	7.2
143.08569	20.9
145.04991	6.6
145.06470	13.6
145.10115	23.0
147.08080	25.0
147.11696	11.8
149.06047	4.9
151.07553	15.5
151.11180	8.6
154.07750	5.3
155.08522	5.6
156.09351	14.8
157.10120	24.3
159.08076	60.6
159.11719	20.6
161.05994	27.0
161.09592	25.1
161.13246	9.1
163.07588	10.0
163.11182	5.7
165.05466	8.3
167.07028	4.9
167.08501	6.5
168.09465	4.9
169.10184	7.5
170.10825	6.4
171.08049	4.9
171.11725	25.8
172.08783	8.2
173.09613	36.8
173.13289	27.7
174.10373	5.6
175.07715	5.5
175.11183	45.2
177.12718	5.8
179.07132	8.6
183.11646	5.8
185.09529	6.2
185.13257	10.8
186.10368	4.9
187.11189	100.0
189.09105	9.5
189.12776	53.3
195.11710	6.8
197.09682	7.6
197.11705	8.9
199.11192	8.0
201.09126	13.5
201.12770	41.5
203.10753	23.2
203.14246	9.4
204.29333	4.7
205.12256	10.0
211.11206	8.1
213.12653	28.1
217.12396	6.5
219.13846	16.7
223.11115	5.7
229.12335	13.2
231.13782	50.7
241.12251	5.2
247.13353	46.7
249.14929	45.4
258.05042	10.9
265.14349	25.2
267.13354	9.5
267.15918	92.3
275.12796	4.9
286.04694	15.4
301.07117	49.3
323.18582	8.7
354.13071	4.4
358.45306	4.6
375.62366	5.3
391.18933	11.3
409.20142	20.0
427.21246	70.1
445.22226	71.1
463.23517	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42168	0.4
53.03930	1.3
53.54861	0.4
55.01879	0.5
55.05506	1.7
56.05028	1.0
57.03431	1.0
58.06594	0.5
67.05505	5.4
69.03438	3.8
69.07072	5.0
70.06584	1.6
71.04996	2.3
71.19245	0.5
71.19580	0.7
75.13213	0.5
79.05489	1.3
81.03427	4.5
81.07064	3.4
83.04977	0.6
84.04454	0.4
84.08166	0.5
85.02909	4.5
86.06068	2.7
91.05483	2.2
93.07049	3.2
94.06573	0.9
95.04971	0.8
95.08612	5.1
96.04467	1.2
97.02879	1.5
97.06506	1.1
99.04443	1.0
99.05571	4.1
101.05991	0.5
105.07018	1.3
107.04938	0.8
107.08596	1.5
109.02879	8.9
109.06528	0.5
109.10163	6.9
110.09648	1.4
111.05560	1.8
111.11748	0.6
113.07139	1.1
119.08585	1.9
121.10141	0.8
123.04429	0.6
123.08073	0.4
125.07116	0.7
125.09632	5.8
126.05484	0.4
126.12788	1.4
127.03930	3.7
129.05481	0.7
130.93753	0.5
131.08595	0.5
134.09625	0.7
135.08040	0.6
136.11229	5.7
137.05940	1.4
137.07001	0.9
137.09619	2.3
143.00032	0.5
145.10072	0.5
147.11810	0.5
149.05896	0.5
151.08647	1.0
151.12314	1.1
153.01910	0.7
153.10223	1.0
154.12276	3.5
161.01102	0.4
161.09673	0.5
161.13231	0.6
169.13371	1.0
179.11810	27.2
181.24825	0.4
187.02727	0.5
189.00577	0.7
193.13252	0.6
197.12862	100.0
198.13472	0.6
203.02196	0.6
215.13936	13.3
221.13026	0.5
239.05595	0.5
239.14021	0.6
242.04369	0.4
257.14993	10.4
260.35629	0.4
265.17868	0.5
274.04831	0.6
286.04800	1.4
287.15829	0.8
301.07047	3.7
301.20181	0.5
305.14926	5.1
317.06589	6.2
323.16022	20.9
341.17099	13.8
359.18106	5.7
463.11310	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69429	1.9
53.03957	8.8
55.01881	12.4
55.05520	8.6
56.15622	1.6
57.03429	10.4
57.07067	6.7
57.85162	1.5
59.04990	3.4
61.02924	10.0
67.05515	17.8
68.99780	4.8
69.03081	2.8
69.03432	34.6
69.06726	1.9
69.07071	18.2
69.81222	9.3
71.05000	12.4
73.02896	7.5
75.83368	1.5
79.05500	8.7
80.28568	1.7
81.03425	50.4
81.07066	20.0
83.04972	4.0
83.08615	5.6
84.08231	1.5
84.08808	1.9
85.02912	100.0
85.06531	2.1
86.09721	1.8
87.00838	44.6
87.04458	2.2
89.06008	4.1
89.23593	1.7
91.03958	5.4
91.05490	8.3
93.07043	8.8
95.04962	5.5
95.08614	9.2
97.02897	46.9
97.06528	2.6
97.10168	4.9
98.20724	2.3
99.04460	17.9
105.01884	35.8
105.07068	9.3
107.04942	1.9
107.08599	9.0
107.58236	1.6
109.02888	44.2
109.06499	4.0
109.10165	29.6
111.04416	2.1
111.11729	13.3
115.03981	1.7
117.01868	7.7
117.07000	3.6
119.08576	6.8
121.06500	3.4
121.10143	6.1
123.11697	2.7
123.14949	1.7
125.07161	1.5
125.09644	2.8
125.30428	1.7
127.03928	87.1
127.11201	34.0
129.01863	8.4
129.06944	3.2
129.12706	5.6
131.08568	4.7
133.10138	5.7
135.08080	2.6
135.11732	1.9
136.09482	1.9
137.05928	2.9
139.11163	1.7
143.08632	2.0
145.03906	3.4
145.04968	38.5
145.06252	1.9
145.10124	4.6
147.02817	4.3
147.08026	2.3
147.11679	3.4
149.09625	3.4
149.13251	3.7
150.09138	2.5
151.11244	2.2
155.08562	2.2
157.10098	2.5
159.02908	30.6
159.08087	1.6
159.11690	3.1
161.09566	1.9
163.11180	2.7
169.10233	2.0
171.11674	2.6
173.09688	2.1
173.13239	2.2
177.09105	2.0
177.12663	2.5
213.03951	6.2
215.14407	2.2
215.16435	30.2
217.55165	1.9
231.04961	15.1
243.15907	2.8
255.21004	1.7
267.09103	2.3
269.17465	5.4
301.15402	3.3
322.52472	1.8
359.97055	1.6
385.17731	2.1
403.19089	3.0
463.21201	3.5
463.27176	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32832	0.5
52.36929	0.5
53.03939	1.1
55.01872	0.6
56.82040	0.5
57.03432	0.6
61.02930	0.8
69.03436	3.1
69.07071	0.7
69.40762	1.4
69.41164	3.0
70.06584	2.0
71.04961	0.7
73.02896	0.7
74.06058	0.9
79.85784	0.5
81.03413	3.8
81.07043	0.9
83.04980	0.8
85.02430	1.0
85.02909	13.0
86.09694	1.8
87.00831	3.1
87.04507	0.6
91.05492	1.0
91.53026	0.6
92.31996	0.5
93.07036	0.6
95.04972	1.3
95.08617	0.9
96.63516	0.5
97.02898	6.8
98.20749	0.9
98.96941	0.6
99.04453	5.9
100.07643	1.0
103.03951	8.5
105.01863	2.3
105.07040	1.2
109.02906	3.7
109.06538	1.5
116.07092	1.3
119.08606	0.7
121.06519	1.4
121.10069	0.5
123.04436	1.1
123.08089	0.5
125.05973	0.6
127.03930	13.9
135.04405	1.3
137.06032	1.3
139.07596	0.5
140.03638	0.7
140.04697	8.9
145.04965	8.6
145.10130	0.9
149.05980	0.8
149.09586	0.7
151.03946	0.9
151.07585	0.8
155.05759	1.1
155.07036	20.9
159.02879	1.2
163.06042	5.2
173.08165	1.1
179.07048	1.4
197.08107	100.0
198.08415	0.9
208.91968	0.6
213.11124	0.7
215.05893	0.6
219.10178	1.3
231.05087	0.9
265.10782	2.0
289.09280	0.8
307.10272	1.9
316.04510	0.6
402.61417	0.5
458.46548	0.6
462.17456	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	17.8
57.07066	7.1
59.60928	2.8
67.05505	28.1
69.07072	32.5
69.28274	6.3
69.28674	25.2
71.05009	18.2
71.08627	3.0
79.05496	19.9
81.07065	100.0
83.04989	5.1
83.08612	15.8
85.06567	3.3
91.05484	16.5
93.07047	37.2
95.04991	5.1
95.08610	69.6
97.06555	3.1
97.10187	10.2
99.08101	5.4
105.07048	33.7
107.08607	42.6
109.09460	5.8
109.10163	63.2
111.11747	3.9
116.14616	2.9
117.07007	4.8
119.08585	28.9
121.10149	37.5
123.11724	28.5
125.06075	7.1
127.11234	14.2
129.07051	3.2
131.08542	8.9
133.10138	21.0
135.08035	3.5
135.11690	34.4
137.05975	10.2
137.13251	10.6
139.07581	2.8
141.12744	3.5
143.08543	3.2
145.10098	15.2
147.11684	32.2
149.13303	19.7
151.07594	3.3
151.14815	3.2
153.12759	9.8
157.10115	4.8
159.11720	18.2
161.13214	16.0
163.14824	10.2
165.12799	4.9
167.06982	3.9
173.13263	6.7
175.14804	9.2
177.16373	9.1
187.14914	6.3
189.16388	11.6
191.17979	6.8
201.16470	7.7
203.18002	10.4
215.18036	6.2
217.19550	8.6
227.17993	3.5
229.19403	3.9
233.19064	6.7
243.20982	2.9
251.20064	9.3
259.24200	4.8
339.30194	3.8
413.37683	4.3
416.43854	3.0
425.37576	10.6
443.38715	8.6
461.19717	7.3
461.29196	6.2
461.36139	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	461.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91243	4.8
53.03944	8.4
55.01891	5.4
55.05512	35.1
57.07082	77.0
67.05511	27.8
69.07073	64.2
71.04999	12.5
71.08638	64.2
77.14813	4.9
79.05493	12.9
81.07069	96.5
83.04958	7.5
83.08633	46.5
85.10192	31.1
91.05466	14.0
93.07043	16.3
95.08616	75.3
97.10177	36.3
99.04458	18.8
105.07048	12.9
107.08596	17.3
109.06524	23.8
109.10167	39.0
111.04459	9.7
111.11714	17.6
119.08585	14.2
121.06489	6.7
121.10167	26.5
123.11696	15.9
123.96249	5.5
123.97282	4.8
125.06032	13.6
125.13232	6.3
127.03966	31.8
131.08606	12.0
133.06523	7.1
133.10182	10.1
135.08060	14.3
135.11681	12.6
137.05986	100.0
137.13281	7.1
144.09352	8.1
145.10132	22.1
149.09662	6.6
149.13200	9.0
151.07516	23.9
155.08531	5.8
157.10147	13.1
158.07205	6.6
159.07965	5.0
159.11732	42.3
163.07561	9.2
163.11124	6.9
163.14870	9.5
165.09109	7.8
167.07037	12.6
171.11664	8.4
172.08855	12.8
173.09639	82.6
173.13258	4.7
175.11133	11.8
177.05475	10.6
177.09081	15.7
177.12820	8.9
179.06995	5.1
183.06560	10.8
187.11183	57.4
191.10722	14.4
193.08688	11.2
201.12767	13.5
205.12279	29.2
217.12325	7.2
219.13797	10.9
229.12212	10.9
257.19238	5.7
277.28961	11.6
335.33041	14.1
383.33026	71.6
397.34381	28.4
401.34210	86.0
425.33920	19.9
443.34998	40.5
461.23071	7.1
461.36517	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	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.2
53.03938	3.9
55.01870	3.1
55.05513	16.4
57.03429	4.9
59.09114	1.1
60.48932	0.9
65.03928	2.0
67.05506	34.6
69.03410	1.3
69.07072	12.6
71.04967	2.1
74.93866	1.0
77.03945	1.5
79.05495	31.8
81.03419	36.8
81.06583	2.1
81.07058	41.5
83.04976	4.6
83.08627	14.2
84.15819	0.9
85.06507	1.5
85.55817	1.0
91.05482	25.3
93.07040	28.0
95.04978	19.3
95.08604	13.2
97.06523	4.8
97.10170	6.4
99.08159	1.4
103.05497	2.1
105.07039	19.6
107.04957	10.3
107.08602	16.7
109.06506	4.4
109.10164	7.4
111.08094	6.2
115.05499	1.4
117.07021	9.6
119.04908	1.3
119.08591	13.9
119.31749	1.1
121.06509	10.0
121.10142	10.5
123.08087	3.2
125.09624	5.8
129.07007	11.2
131.04951	1.8
131.08577	15.7
133.06485	5.8
133.10121	7.8
135.08061	4.9
135.11694	3.3
137.06021	1.4
137.09653	1.3
138.17204	1.1
140.20204	1.1
141.07057	2.0
142.07803	2.1
143.00278	1.5
143.08548	5.9
145.06479	6.8
145.10141	6.3
147.08028	5.4
147.11734	5.5
149.09624	4.5
149.13277	9.9
153.09140	1.2
155.08563	2.9
157.10097	7.3
159.08067	3.1
159.11685	7.0
161.01216	1.3
161.09624	1.8
161.13269	1.6
165.12788	1.2
167.08606	1.6
169.10121	1.9
171.08092	1.1
171.11691	2.7
175.11168	5.2
177.12787	3.1
181.10175	1.9
183.11688	1.7
185.09673	1.2
185.13231	2.5
187.11200	1.4
189.11160	2.4
189.12801	1.6
193.12257	15.5
195.13843	3.1
197.13287	3.3
199.11232	1.2
199.14862	3.1
201.12672	2.4
205.12234	1.2
211.13091	1.3
213.50409	1.1
217.15881	3.9
225.12752	1.8
227.12802	1.2
233.15393	1.7
249.14844	2.5
257.15485	1.3
341.24612	2.0
343.22797	3.0
351.23120	7.1
361.23764	2.4
369.24271	15.0
387.25189	8.4
405.26196	2.2
417.26410	5.2
443.27948	18.5
446.59879	1.1
461.28979	100.0
462.29498	2.3
477.25140	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.8
55.01860	11.6
55.05511	35.1
57.03420	12.8
65.03935	3.9
66.15474	2.4
67.05177	4.5
67.05505	69.2
69.07072	27.8
71.04980	6.3
77.03885	3.6
79.05494	58.1
81.03410	4.7
81.07055	64.7
83.04998	5.7
83.08628	20.6
85.06526	3.5
91.05489	86.4
93.07045	60.9
95.04948	13.4
95.08606	39.7
97.06528	8.0
97.10209	13.3
97.10698	3.8
98.19982	2.6
99.08026	3.8
103.05455	5.9
105.07032	67.4
107.04932	9.5
107.08598	23.8
109.06536	5.9
109.09496	3.7
109.10123	18.8
111.08064	7.2
115.05438	9.0
116.06278	3.9
117.07018	50.2
117.95576	2.9
119.04897	4.1
119.08574	35.9
121.06490	13.8
121.10142	16.4
123.08043	4.0
125.09621	6.8
128.06245	13.9
129.07008	58.1
130.07768	4.2
131.04927	4.7
131.08568	71.0
133.06482	14.0
133.10149	19.1
135.08041	15.6
135.11696	10.9
137.09608	6.1
141.06976	23.2
142.07787	6.0
143.08556	45.9
145.06459	15.2
145.10133	34.6
147.08110	14.1
147.11630	7.2
149.09613	8.1
149.13129	3.1
153.06927	4.2
155.08560	41.5
157.06450	4.4
157.10133	31.0
159.08066	10.0
159.11699	17.2
161.09599	8.1
161.13434	3.1
165.06985	5.5
167.08598	14.3
168.09348	3.3
169.10110	26.8
171.08060	8.6
171.11665	17.6
173.09637	6.4
173.13248	5.6
175.11159	5.1
177.12674	4.4
179.08549	6.9
181.10153	17.0
183.11710	17.4
185.09566	5.6
185.13266	12.7
187.11188	5.5
187.14784	2.9
193.10152	7.5
195.11743	17.5
197.09581	3.1
197.13269	14.4
199.11119	3.4
199.14813	4.1
201.12706	5.2
203.12685	3.0
207.11705	11.4
209.13235	12.1
211.11127	4.9
211.14905	7.0
213.12823	4.9
213.16373	4.1
215.14276	12.5
217.15855	3.3
221.13312	14.1
223.14836	11.0
225.12718	3.9
225.16428	4.9
227.14250	3.8
231.17601	2.7
235.14806	6.5
237.16417	4.0
239.14281	9.2
245.15508	4.0
247.16986	4.4
249.16414	5.3
253.15862	4.7
257.15417	8.7
271.16965	7.3
275.16327	2.9
285.18616	4.1
305.22629	3.3
323.23459	6.5
333.22165	22.3
341.24768	14.5
351.23187	62.6
369.24243	50.9
387.25256	26.5
398.66730	3.4
401.21255	5.8
415.28293	5.4
425.26761	6.6
433.29758	3.2
443.27948	100.0
461.23178	6.0
461.28918	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	461.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.7
54.08799	1.4
55.01868	13.5
55.05512	23.2
57.03435	11.2
57.07076	5.2
59.05007	3.7
61.02925	7.1
62.07405	1.2
67.05508	12.5
68.99800	6.4
69.03432	64.2
69.07069	46.4
69.60729	2.5
69.61035	9.1
70.06584	1.4
71.04998	14.0
71.08627	1.8
72.08147	1.2
73.02929	10.2
79.05502	9.2
81.03422	59.3
81.07061	29.0
83.04984	16.4
83.08621	9.2
84.08134	1.6
85.02908	91.6
85.06545	17.9
86.06085	3.0
86.09721	1.9
87.00834	36.5
87.04463	2.6
91.03929	3.0
91.05489	8.1
93.07055	19.3
95.04987	4.5
95.08612	41.9
97.02897	32.6
97.06530	10.3
97.10165	10.0
99.04461	25.0
99.08101	29.2
103.09719	1.3
105.01868	25.7
105.07021	7.2
107.04963	6.5
107.08604	25.3
109.02886	60.9
109.06530	3.2
109.10162	19.4
111.04410	2.5
111.08086	4.8
111.11709	7.1
113.09628	8.5
115.03947	2.0
117.01850	6.4
117.07016	2.4
119.08582	6.5
121.06522	4.0
121.10149	35.7
123.04455	3.3
123.08085	1.9
123.11724	13.2
125.06004	2.2
125.09636	10.1
127.03921	100.0
127.11214	2.7
127.47579	1.2
129.01848	6.6
129.06985	1.7
129.12793	1.5
131.04903	3.3
131.08580	3.3
133.10170	4.6
135.08025	2.8
135.11702	16.6
137.06017	3.5
137.09563	2.5
137.13255	14.8
139.07608	1.3
139.11191	10.2
143.08589	3.1
145.04965	34.1
145.06117	2.1
145.10162	2.1
147.02870	4.6
147.08156	1.5
147.11732	3.2
149.05994	2.1
149.09622	4.3
149.13249	4.9
151.07539	4.2
151.14813	6.4
153.12759	19.6
157.10153	2.9
159.02893	32.7
159.08167	1.4
159.11656	2.0
163.07578	1.4
163.11275	2.2
165.09132	2.5
167.07085	2.3
171.11703	3.0
175.11031	1.4
177.04034	2.3
177.09160	1.7
177.16396	72.4
183.11647	1.6
185.07138	2.4
185.13319	1.5
189.04082	1.4
193.05006	2.0
193.15794	1.7
195.10243	2.1
195.17451	72.7
197.13506	1.7
201.12698	1.5
211.07645	2.5
213.03838	2.3
213.06783	2.0
213.11177	1.9
213.18497	75.4
217.75755	1.3
219.17482	1.7
231.05025	20.2
237.18471	1.8
249.05736	1.9
264.04163	1.3
281.09012	1.5
299.09143	19.9
308.32950	1.4
371.11328	13.9
372.12048	1.6
387.15039	1.5
397.13318	1.4
425.22382	2.2
443.13312	2.4
461.17911	2.3
461.23947	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.0
55.01664	1.3
55.01875	16.4
55.05513	25.8
56.83408	1.4
57.03437	10.8
57.07057	4.8
59.05006	3.3
61.02927	8.7
67.05512	12.1
68.99795	4.2
69.03430	68.6
69.07069	44.9
70.06598	1.7
70.56163	3.4
71.01331	2.5
71.05005	13.3
73.02910	13.3
76.51572	1.3
76.76147	1.3
79.05479	7.2
80.24482	1.6
81.03417	64.0
81.07059	29.8
83.01344	2.4
83.04975	12.2
83.08620	10.4
85.02908	100.0
85.06549	20.0
86.06065	2.2
87.00833	38.9
87.04485	3.4
89.33040	1.3
91.03960	3.0
91.05483	7.0
93.07040	17.5
95.04971	3.0
95.08610	43.5
97.02892	33.5
97.06532	10.4
97.10170	13.3
98.20876	2.0
99.04452	23.1
99.08095	29.5
100.11225	2.5
101.06005	1.8
103.03950	1.8
103.05421	1.6
105.01859	27.2
105.04549	1.4
105.07051	7.9
107.04945	15.7
107.08597	26.7
109.02883	63.6
109.06505	3.5
109.10149	16.3
111.04422	1.9
111.08085	3.8
111.11728	8.6
113.09615	11.4
115.03925	3.1
117.01855	5.9
119.08586	8.3
121.10139	34.2
123.04420	1.5
123.08103	3.5
123.11707	10.0
125.06018	1.8
125.09634	9.0
125.13281	2.6
127.03919	90.5
127.11173	2.5
129.01830	6.7
131.04930	4.4
131.08597	3.1
133.10170	2.8
135.08044	1.8
135.11703	16.6
137.05965	2.5
137.09669	1.7
137.13271	13.9
139.11177	9.2
143.08646	2.0
145.04967	34.0
145.10117	3.5
147.02861	6.2
147.11649	2.1
149.09653	4.6
149.13251	5.2
151.14824	6.6
153.12752	17.9
157.10100	3.5
157.12204	1.8
159.02898	34.1
159.11688	2.6
161.09610	1.7
161.13127	1.4
163.07428	1.3
165.09068	2.2
167.07143	2.1
167.10583	1.9
171.11649	2.7
173.13210	1.6
175.14848	1.7
177.03931	2.3
177.09135	1.5
177.16388	72.9
181.12143	1.5
183.03014	1.4
185.07112	45.5
185.13142	1.7
189.03951	1.5
190.42720	1.2
193.04936	7.6
195.10176	2.7
195.13812	5.3
195.17448	69.7
196.05183	1.5
197.13338	1.7
211.07538	5.7
213.03908	5.6
213.06679	27.0
213.11154	2.1
213.18500	69.0
219.10446	1.3
231.05031	19.8
236.63232	1.5
237.18436	1.6
263.16132	1.4
280.50418	1.5
281.09119	1.8
299.09131	44.7
301.87177	1.3
339.09772	3.3
357.10852	3.4
371.11267	11.2
398.74677	1.5
425.21741	2.3
443.13434	3.6
443.23380	1.6
461.15289	6.4
461.23831	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	461.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01863	0.5
55.05499	0.7
57.03438	0.5
59.04987	0.4
67.05495	0.6
69.03445	1.7
69.07072	0.7
70.67689	0.9
79.05488	0.3
81.03428	1.7
81.07044	0.8
83.04990	0.5
85.02492	0.4
85.02921	3.3
85.06532	0.5
87.00836	0.6
93.07037	0.6
95.08598	1.2
97.02898	1.9
98.21480	0.3
99.04460	0.7
99.08125	0.3
105.01848	0.6
107.04973	2.5
107.08572	0.8
109.02898	1.6
109.10167	0.7
113.09669	0.3
119.08595	0.5
121.10158	0.6
127.03934	3.0
135.11671	0.5
139.11192	0.3
140.04973	1.8
145.04955	0.5
145.10167	0.4
149.09555	0.3
153.12700	0.4
154.96170	0.4
155.13908	0.3
159.02838	0.6
159.11617	0.4
165.53880	0.3
167.05997	4.5
177.09183	0.3
177.16402	1.5
185.07117	100.0
186.07411	0.8
193.04976	1.0
195.05438	2.1
195.10141	0.5
195.17441	1.3
196.05162	0.4
211.07494	0.3
213.06604	84.6
213.18431	1.3
214.06889	0.6
231.04933	0.6
239.07175	0.3
299.09152	4.4
339.09778	11.8
357.06366	0.4
357.10831	8.8
375.11945	5.2
413.69821	0.4
443.24142	0.4
461.15555	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	461.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65604	0.7
53.03944	2.8
55.01868	1.8
55.05510	1.6
57.03431	1.5
59.06646	0.7
61.02935	0.8
66.95350	0.7
67.05495	3.0
69.03439	4.4
69.07061	3.8
69.55936	5.0
70.06612	0.6
71.04973	2.0
72.08174	0.8
73.02900	1.2
79.05495	4.2
81.03420	5.4
81.07040	4.4
82.28500	0.7
83.04973	1.1
84.08154	1.5
85.02913	8.6
85.06540	1.6
86.09737	1.0
87.00816	1.9
91.05477	3.3
93.07045	6.1
95.04961	2.9
95.08614	5.3
97.02907	4.1
97.06546	2.4
99.04470	1.8
99.08034	0.8
99.20285	0.7
105.01872	1.7
105.07043	4.1
107.04961	100.0
107.08605	4.2
108.04548	1.2
109.02854	4.6
109.06557	1.4
109.10185	4.9
111.04438	1.3
111.08052	1.6
117.06967	0.8
119.08578	2.3
121.06505	1.2
121.10136	5.2
123.08086	1.3
123.11758	1.5
125.09641	0.9
127.03932	6.4
127.11147	0.9
131.08594	1.6
133.10153	1.3
135.08034	1.2
135.11696	1.3
136.70062	0.7
137.05981	1.0
137.09660	1.2
145.04993	1.0
145.10159	1.2
147.08101	0.9
147.11667	1.1
149.09618	3.5
151.03957	1.0
157.10069	1.2
159.02870	0.8
159.11665	0.9
161.06026	1.0
161.09633	1.2
163.24275	0.7
164.33568	0.8
165.01801	1.2
165.37544	0.7
167.06975	1.0
167.10686	0.8
169.12299	0.8
173.09584	0.8
173.13240	1.0
177.09116	2.6
177.16389	2.6
185.07130	1.3
189.05511	3.4
193.05023	1.4
195.10216	1.8
195.11900	0.7
195.13857	2.1
195.17447	2.4
203.07101	1.8
205.04982	19.3
206.05658	0.9
211.13235	1.2
213.06616	1.1
213.11221	6.2
213.14810	5.5
213.18538	2.4
217.04984	3.1
226.07050	0.8
227.06824	0.8
229.04845	0.8
230.06017	1.1
231.06558	6.7
235.06032	12.3
245.08134	2.8
255.06432	0.9
259.06082	3.2
271.06119	1.7
279.09790	1.6
282.05374	1.2
283.06131	0.9
299.09250	2.7
301.07101	1.2
311.09146	43.5
315.10675	1.6
323.09232	1.9
337.10718	4.3
341.10217	38.1
351.12326	2.8
357.11261	1.0
365.10223	27.1
375.12585	12.5
377.10150	5.1
379.11780	1.3
389.10193	6.1
389.97125	1.0
395.11230	14.0
397.12952	0.8
401.11884	2.4
407.11295	12.3
425.12433	12.4
443.13263	10.3
461.15741	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	460.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.7
55.01875	7.2
55.05520	0.6
55.24872	0.5
57.03439	4.0
58.91724	0.5
60.04536	1.2
61.02932	4.2
63.35835	0.5
67.05512	0.5
68.99797	2.7
69.03434	25.3
69.88747	2.1
70.06602	1.2
70.83054	0.4
71.05005	4.5
73.02925	7.3
79.05498	1.4
80.05036	0.6
81.03425	25.9
81.07047	0.9
83.01360	1.2
83.04967	1.0
85.02912	67.3
87.00836	28.4
87.04481	0.7
91.03975	2.3
91.05508	1.1
93.91669	0.5
97.02898	26.7
98.06082	0.9
99.04461	12.8
101.02418	0.6
103.03964	0.5
103.05499	4.1
105.01875	25.8
105.07037	2.4
107.04958	6.4
107.08606	0.9
108.04498	8.6
109.02888	27.1
114.60090	0.5
115.03938	1.1
117.01855	3.1
117.06981	0.7
119.08594	0.6
126.05518	4.8
127.03925	51.1
129.01852	3.2
131.04910	1.2
135.08063	6.0
139.03906	2.7
145.04967	24.4
145.07513	0.8
147.02858	3.4
154.06255	25.8
159.02902	16.6
163.07553	23.6
167.07043	1.7
168.10495	0.5
177.03847	1.0
180.07825	1.9
189.03996	1.2
193.08630	1.2
194.20877	0.5
195.10179	100.0
196.10573	1.0
207.10197	0.5
211.16914	0.5
212.05486	0.7
212.17181	0.5
213.03970	3.3
219.10237	0.6
230.06555	2.9
231.05023	13.2
248.07687	7.9
249.06056	1.4
266.08725	2.5
285.11255	1.2
285.82257	0.5
303.12167	1.4
388.28552	0.5
402.38461	0.6
412.81702	0.5
420.86575	0.5
431.66013	0.5
460.27692	1.0
483.79150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3835
Annotation	12,13beta-epoxy-16beta-hydroxy-beta-amyrin
Peak:m/z	Relative Intensity
55.01889	4.8
55.05515	39.0
56.20294	2.6
57.03431	2.9
57.07065	5.3
62.83034	2.8
67.05511	16.9
69.03427	8.4
69.07076	23.2
69.17303	27.3
71.04989	3.5
71.08628	3.6
79.05483	10.4
81.03427	5.0
81.07061	31.2
83.08620	31.5
84.39781	2.6
85.06546	3.1
85.10178	3.0
85.86358	2.6
89.73849	2.7
91.05492	10.1
93.07053	24.8
95.08611	41.7
97.06551	4.2
97.09623	4.7
97.10181	44.0
100.26098	3.5
105.04424	3.4
105.07014	17.9
107.08598	43.0
109.06510	3.5
109.10163	53.6
109.10841	5.2
111.08064	5.8
119.08580	23.1
121.10146	33.0
123.11678	13.0
125.09612	7.0
127.11205	9.4
131.08588	8.5
133.10088	18.7
135.08084	2.9
135.11710	27.0
137.05948	3.1
137.13274	4.1
143.08601	4.8
143.10709	3.2
145.10161	12.1
147.11748	16.7
149.13284	11.4
153.12753	4.4
157.10135	7.7
159.11691	13.2
161.13251	9.8
163.14893	10.2
171.11647	5.2
173.13261	9.4
175.14825	10.7
183.83939	2.6
185.13278	3.8
187.14851	8.8
189.16350	15.1
191.17955	28.2
201.16548	7.5
203.18060	5.5
207.17511	6.5
213.16444	4.3
215.18002	11.0
217.19466	3.0
228.74709	3.0
229.19574	4.9
233.19110	10.4
243.21239	2.9
261.22052	2.8
269.22702	3.7
283.24155	4.8
301.25317	5.9
323.55502	3.3
374.82086	3.1
403.20721	2.7
405.35403	6.2
423.36255	49.2
441.37299	50.8
459.21848	10.2
459.38406	100.0
472.24475	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87070	2.0
53.03940	2.6
55.05513	14.0
57.07083	4.8
65.39846	2.1
67.05513	28.8
69.07075	19.1
71.04987	4.2
71.55119	2.0
74.90305	2.5
79.05500	12.5
81.03434	2.8
81.07064	34.3
83.04974	12.6
83.08618	9.4
86.14423	2.4
91.05487	9.6
93.07056	24.8
95.04949	5.4
95.08611	60.4
95.44342	2.3
97.10168	3.3
105.03394	14.9
105.07029	28.3
107.08602	34.6
108.43066	2.5
109.10165	100.0
113.09634	16.9
117.07019	5.3
119.08582	37.9
121.10148	26.8
123.08044	3.8
123.11694	12.8
125.09623	4.7
127.11198	8.8
131.08586	12.9
133.10138	26.2
135.11719	22.3
137.13258	2.9
142.56044	2.2
143.08546	4.6
143.10696	2.4
145.10147	20.1
147.11702	21.3
149.13263	10.0
151.07555	8.3
157.10150	8.1
159.11714	25.0
161.13283	14.6
163.14821	6.7
165.09119	2.8
171.11667	10.6
173.13304	18.4
175.14853	11.4
177.16461	3.1
179.14368	4.1
185.13281	6.7
187.14816	14.4
189.16374	15.9
191.14363	3.8
191.17979	9.0
197.13419	2.9
199.14836	5.1
201.16458	7.8
203.17966	5.5
207.17458	8.8
211.14871	2.8
213.16405	11.1
214.17194	4.0
215.17966	30.0
217.19557	2.7
227.17958	8.9
229.19490	16.2
233.19072	9.5
241.19598	14.7
243.21120	3.8
245.18933	4.2
247.20552	10.6
255.21262	3.9
257.22470	2.5
259.20636	10.0
283.24188	3.2
297.25787	13.3
313.25351	3.7
315.26785	18.2
333.93845	2.5
349.29016	2.5
377.24628	5.1
405.35129	9.6
423.36292	44.2
441.37314	35.9
459.21838	4.2
459.28177	8.6
459.34140	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	459.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.8
56.61219	1.0
57.07077	1.5
65.03945	1.8
67.05506	29.9
69.07070	10.7
69.27982	8.7
71.04985	2.2
79.05489	6.0
81.07063	19.5
83.08617	4.3
91.05485	4.9
93.07041	12.4
95.08609	35.7
97.10174	3.0
100.11639	1.1
105.07040	9.7
107.08607	16.5
109.10163	100.0
111.11731	1.4
113.09650	10.1
117.07024	2.9
119.08583	14.3
121.10149	10.4
123.08096	1.2
123.11719	6.9
125.09606	1.3
127.11225	2.9
131.08594	6.2
133.10112	10.4
135.11726	12.3
137.13293	2.3
143.08574	3.9
145.10133	11.1
147.11703	9.1
149.13249	5.6
151.07544	4.4
157.10155	3.6
159.11717	9.9
161.13243	12.5
163.14827	3.9
169.10161	1.1
171.11728	3.5
173.13306	9.9
175.14851	6.0
177.16446	2.4
178.16884	1.2
179.14386	1.4
183.11815	2.4
185.13300	6.0
187.14851	6.7
189.16454	5.4
191.14345	3.4
191.17969	1.5
199.14836	3.9
201.16391	4.5
203.17946	2.2
207.17451	1.3
213.16418	4.3
215.17963	6.7
217.19492	1.1
223.14818	1.1
225.16383	1.6
227.17984	3.0
229.19536	11.1
238.04918	1.1
241.19458	3.3
243.21091	2.9
247.20575	4.0
253.19601	1.5
255.21091	1.7
267.21182	1.9
269.22736	3.2
281.22540	1.9
283.24081	1.7
285.22021	2.3
287.23779	2.7
295.24454	1.3
297.22443	1.2
297.25754	17.8
313.25305	5.3
315.26846	19.1
327.45819	1.0
349.29019	1.6
367.30096	3.8
395.32858	1.4
405.35144	5.9
423.36285	18.4
441.37451	12.1
459.27719	3.4
459.38708	1.2
474.47601	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3834
Annotation	Longispinogenin
Peak:m/z	Relative Intensity
51.76770	2.6
55.01862	2.3
55.05498	9.1
58.72724	2.5
63.53341	2.4
67.05504	7.4
69.07070	10.8
71.44887	3.0
79.05493	6.0
81.07066	19.4
83.08616	10.8
91.05490	5.1
93.07042	8.0
95.08607	32.3
97.10152	2.3
98.14689	2.1
99.08130	4.4
103.15237	2.5
105.07051	6.8
105.12673	2.3
107.08606	16.2
109.10158	33.0
111.11723	2.8
113.09651	9.0
117.07021	3.9
119.08610	13.1
121.10145	14.3
123.11728	10.5
127.11198	8.0
131.08647	3.1
133.10139	9.1
135.11710	10.9
139.11165	4.5
145.10159	3.0
147.11687	6.8
149.13263	6.4
153.12712	5.5
157.10101	3.4
159.11595	5.3
161.13202	5.3
163.11223	3.9
163.14825	4.2
170.46123	2.2
171.11668	3.3
173.13303	4.5
175.14861	4.4
177.16357	4.1
189.16335	11.0
195.64259	2.4
203.17906	5.7
205.15845	2.8
208.83095	2.2
213.16469	2.5
215.18118	3.0
280.51239	2.4
287.23438	2.6
387.16068	3.0
393.97296	2.3
401.17886	5.3
403.19241	3.5
415.19635	3.9
416.19901	3.1
417.21115	4.7
423.36148	29.0
429.16986	11.1
430.17722	2.4
441.37317	49.4
443.18768	5.4
444.19373	10.2
445.20407	3.7
459.21774	100.0
459.38635	11.3
460.22559	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	459.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.3
57.07059	5.8
67.05481	12.0
69.07064	14.5
71.56426	4.4
71.56811	8.7
79.05479	5.8
81.07069	25.3
81.94064	4.2
83.04958	7.5
83.08612	8.8
91.05510	10.4
92.66344	4.7
93.07043	15.4
95.08613	29.7
97.10123	7.3
105.07022	15.5
107.08591	67.5
109.10177	27.4
119.08592	13.3
121.10153	15.5
123.11693	9.2
125.09636	100.0
127.31208	4.2
133.10152	11.9
135.11694	16.7
138.40306	4.7
145.10146	11.2
147.11682	16.1
149.13275	7.8
159.11676	13.2
161.13216	10.7
163.14871	7.9
173.13283	8.1
175.14778	7.3
187.14876	9.1
189.16411	12.4
191.17960	14.1
203.18022	6.2
307.94427	4.7
355.29855	6.9
373.14496	9.7
387.16013	9.8
402.14838	7.9
403.19211	13.6
415.15579	9.1
423.36346	28.0
431.18317	10.9
441.37466	42.0
459.17764	53.7
459.22107	45.0
459.35309	14.5
460.18185	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	459.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62417	0.6
53.03944	2.2
55.01869	6.2
55.05514	19.7
56.41856	0.6
57.03440	4.0
59.05006	0.8
65.03928	1.2
67.05508	20.1
69.03441	3.2
69.07074	5.7
70.04897	0.5
71.04984	2.0
79.05501	23.2
81.03425	12.6
81.07060	18.9
83.04984	4.0
83.08625	9.6
85.02930	0.6
85.06554	1.2
87.04440	0.7
91.05484	15.8
93.07053	12.2
95.04984	9.0
95.08610	9.7
97.06551	3.1
97.10177	14.6
103.05492	1.1
105.04544	0.8
105.07036	12.3
106.92792	0.6
107.04959	10.0
107.08598	13.7
107.56766	0.5
109.06524	3.9
109.10148	5.4
111.08092	2.2
112.33871	0.6
115.05446	2.2
117.07029	8.2
119.04955	1.3
119.08594	9.0
121.06512	11.1
121.10138	3.3
123.04443	1.5
123.08092	3.3
123.11726	0.6
125.06039	0.7
125.09641	10.8
128.06233	1.7
129.07001	8.5
131.04945	5.5
131.08578	9.8
133.06499	5.8
133.10139	5.4
135.04419	0.6
135.08029	3.5
135.11708	2.1
137.05920	1.1
137.09631	1.4
141.06985	3.6
142.07774	1.8
143.08571	6.2
144.05725	1.2
145.06493	21.4
145.07657	1.1
145.10110	5.6
147.04419	2.4
147.08055	5.6
147.11705	4.5
149.05991	1.0
149.09633	2.5
153.09106	3.4
153.12762	0.7
155.08542	3.9
156.09491	0.8
157.06514	4.1
157.09024	0.9
157.10135	5.4
159.04391	0.8
159.08058	3.6
159.11717	1.7
161.06017	4.0
161.09641	2.6
163.11229	2.2
165.07025	0.8
165.12741	1.4
167.08566	2.1
169.06558	2.8
169.10141	2.9
171.08047	6.2
171.10350	0.8
171.11644	3.4
173.09636	3.4
173.13266	0.8
175.07619	1.3
175.11188	2.3
177.12788	0.9
179.08641	1.4
181.06430	0.7
181.10124	2.5
182.11107	0.8
183.08084	1.9
183.11720	2.2
185.09674	3.2
185.13307	2.2
187.11203	2.3
187.14844	1.4
189.09439	1.1
189.11229	6.0
189.12810	2.0
193.10371	1.1
193.12241	8.9
195.08076	1.7
195.11792	3.7
195.13760	0.6
197.09650	1.9
197.13286	3.1
199.11212	2.7
199.14862	1.2
201.12738	1.0
203.14433	0.9
205.10205	0.9
205.12343	0.8
207.11771	0.7
209.09573	1.4
209.13338	1.6
211.11244	1.5
212.53076	0.6
213.12782	2.1
215.14331	2.5
217.12228	1.4
219.11760	0.8
219.13847	0.8
221.13370	1.3
223.11177	2.1
223.13145	1.0
225.12747	1.9
227.14331	2.7
231.13794	1.2
233.15327	3.7
235.11143	0.7
235.14917	1.1
237.12753	3.6
239.14357	1.6
241.12180	0.8
243.13850	1.5
245.15367	1.2
249.15015	1.4
255.13824	4.4
257.15408	1.4
259.13474	1.5
269.15494	0.7
271.17059	1.7
273.14853	17.1
275.16672	0.7
281.15411	1.5
283.17001	1.3
287.16489	1.7
311.16534	1.5
321.22247	1.3
323.20087	0.9
331.20868	1.3
339.23105	4.2
349.21634	13.5
357.24228	4.4
367.22702	36.7
385.23755	30.5
395.25616	1.1
399.25336	1.7
403.24829	7.3
405.24127	2.9
423.25488	2.7
441.26541	9.4
459.27454	100.0
460.27527	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2741
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
53.03939	2.4
53.96889	2.2
55.01863	4.7
55.05508	14.8
58.71614	1.8
67.05508	19.3
69.03412	7.8
69.07066	12.4
71.05000	4.2
79.05504	21.6
81.03407	8.3
81.07059	26.2
83.04966	2.1
83.08606	11.6
85.06545	6.5
87.04453	4.9
91.05481	20.1
93.07049	24.2
95.04966	7.3
95.08622	20.6
97.06544	19.3
97.10172	8.2
98.20695	4.2
99.04503	2.7
103.05464	2.9
105.07039	32.6
105.07700	3.5
107.04944	4.4
107.08602	30.9
109.06517	8.1
109.10148	10.0
111.84776	1.9
114.95214	2.9
115.05450	3.0
117.07083	10.7
117.94166	2.1
119.08591	36.0
121.06513	9.5
121.10142	23.8
123.08044	6.8
123.11726	8.1
125.09632	5.9
128.06221	4.6
129.07001	11.9
131.08574	24.3
133.06480	3.5
133.10129	29.7
135.08022	4.9
135.11703	8.5
137.06001	2.4
139.07561	10.7
141.07007	5.0
142.07724	5.1
143.08559	18.1
144.09288	2.9
145.06494	13.9
145.10124	26.0
147.08026	10.8
147.11699	15.0
149.09608	4.5
149.13231	4.1
153.09045	5.2
155.08560	7.3
156.09288	2.8
156.50638	2.1
157.10144	28.8
159.08073	4.5
159.11670	19.7
161.05986	2.5
161.09637	7.2
161.13289	6.3
163.07552	2.9
163.11160	5.2
165.09126	8.0
167.08525	4.3
169.10153	13.8
170.10860	2.7
171.08102	3.7
171.11693	25.5
173.09570	4.1
173.13292	19.0
174.66301	2.3
175.11217	4.4
177.09142	4.5
179.10718	3.1
180.09233	2.3
181.10144	9.2
181.11961	1.9
182.10872	3.8
183.10219	3.3
183.11658	15.9
184.12476	2.6
185.08073	9.8
185.09654	5.9
185.13292	14.1
187.11198	3.7
187.14845	6.4
189.11241	2.7
189.12781	4.0
191.10660	4.4
193.10210	4.3
193.12244	12.2
195.10149	4.4
195.11754	15.7
195.13336	2.7
196.12602	2.5
197.13252	14.8
199.11180	4.5
199.14877	6.1
201.12714	2.9
203.10634	4.1
203.14276	3.2
207.11806	3.5
209.11578	3.0
209.13248	10.3
210.14076	3.2
211.11256	3.6
211.14792	12.6
213.12724	4.2
213.16426	4.2
217.12286	4.1
219.13837	4.1
221.13431	5.2
223.14844	9.2
225.12881	2.8
225.16371	8.1
227.14293	3.6
227.18022	5.4
229.12242	2.9
229.53185	2.2
231.13858	8.0
233.15366	10.2
233.17749	2.1
235.14832	5.3
237.12738	4.5
237.16324	4.0
239.14310	4.2
239.17963	3.9
241.12169	2.2
243.13853	3.2
249.16658	3.2
255.13930	3.6
257.15503	4.8
265.19446	3.9
267.21164	3.3
269.19351	2.8
273.14920	8.1
273.18680	2.6
287.16989	2.3
287.20001	12.7
299.16632	2.5
307.20462	3.0
313.17984	3.2
325.17963	2.9
325.21667	4.2
326.22430	2.5
327.19577	3.4
327.23135	5.5
333.43268	2.3
339.19626	5.5
339.23264	3.8
349.21631	6.5
357.20612	2.8
359.23517	2.8
367.22672	18.7
369.24271	3.5
373.23453	2.8
373.84488	2.3
377.24954	7.2
381.24750	10.7
385.23868	18.0
387.23309	2.9
395.21207	2.3
395.25858	10.8
399.25415	12.1
405.24347	4.7
411.25372	2.7
413.26889	7.6
423.25436	19.8
429.26089	4.7
441.26447	42.6
459.27432	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
54.73406	1.2
55.01878	8.2
55.05518	47.1
57.03417	4.5
65.03934	2.0
67.05510	36.0
67.44436	1.0
69.03430	4.2
69.07068	13.0
69.24393	11.0
71.04976	2.0
79.05499	39.2
81.03405	2.7
81.07067	29.7
83.04977	5.4
83.08635	21.4
91.05488	29.3
93.07050	15.9
95.04977	4.4
95.08621	12.7
97.06545	2.2
97.10183	40.6
103.05476	17.1
105.03393	2.5
105.06385	2.3
105.07045	29.4
105.07772	1.7
107.04967	4.3
107.08609	19.9
109.06522	2.1
109.10162	7.3
111.08087	3.5
115.05461	9.2
117.07028	44.9
119.04928	1.9
119.08598	15.3
121.06519	3.5
121.10143	5.8
123.08101	2.2
125.09640	33.5
128.06242	4.9
129.07010	23.2
130.52408	1.1
131.04939	4.3
131.07593	1.6
131.08580	32.7
133.06528	8.5
133.10162	7.8
135.08061	10.3
135.11674	1.8
137.09634	1.5
141.07010	9.3
142.07767	1.8
143.08568	13.6
143.10649	1.5
145.06508	13.4
145.10118	11.6
147.08034	2.9
147.11655	2.9
149.06033	1.3
149.09608	4.4
153.09111	4.1
155.08557	12.0
156.09277	1.6
157.06543	3.2
157.10185	6.4
159.08076	5.1
159.11696	3.7
161.09641	1.4
163.11197	1.5
165.07007	1.3
165.09084	1.8
167.08597	4.6
168.09302	1.4
169.10161	10.5
171.08070	3.6
171.10164	3.7
171.11723	6.1
173.09621	1.7
173.13268	3.7
181.10146	4.1
183.11703	3.6
185.09656	1.5
185.13200	2.4
187.11279	2.9
187.14842	15.4
189.11234	21.2
193.10240	1.5
195.11708	3.4
197.09546	1.9
197.13286	15.6
199.11198	1.6
201.12714	1.4
209.13281	2.7
211.14813	1.6
213.12718	4.4
215.14334	74.2
219.11746	1.3
221.13210	1.7
223.11205	3.1
227.12772	27.8
231.56886	1.5
233.15477	3.3
237.12700	2.1
239.14491	1.6
241.12279	3.6
245.13777	2.4
253.15942	2.7
253.21570	1.6
255.13828	2.3
257.15408	1.3
259.13156	2.3
271.16867	7.3
273.14951	2.3
323.19846	1.3
331.20633	1.8
339.23123	5.4
349.21637	11.8
367.22678	31.5
385.23779	25.3
403.24722	9.5
423.25461	1.7
441.26395	65.3
456.48776	1.2
459.27466	100.0
460.27368	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2745
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
53.03934	2.9
55.01871	4.2
55.05515	14.1
57.03418	2.7
57.07076	2.0
59.04994	1.3
65.03959	1.8
67.05503	24.7
69.03429	15.7
69.07074	16.0
71.04981	3.3
79.05500	26.3
81.03419	17.2
81.07063	31.0
83.04984	5.0
83.08622	11.2
85.06560	7.9
87.04475	4.3
91.05484	29.7
93.07053	30.4
95.04975	13.6
95.08056	2.3
95.08614	27.4
97.06541	27.9
97.10174	5.2
98.21598	2.7
99.04488	2.7
99.08088	1.6
101.06036	3.0
103.05477	2.5
105.07034	36.2
107.04964	7.2
107.08610	39.0
109.06510	8.1
109.10158	17.3
111.08086	6.3
113.06049	2.4
115.03962	3.4
117.07029	13.5
119.04955	1.4
119.08588	44.4
121.06535	9.6
121.10147	23.4
123.08058	8.2
123.11726	10.2
125.09632	3.6
127.07576	1.7
128.06213	5.1
129.06993	11.8
129.07860	1.7
130.07782	3.0
131.04926	2.2
131.08580	31.6
133.06506	5.6
133.10143	38.8
133.11093	2.9
135.08083	6.0
135.11699	13.3
137.06041	3.3
137.09595	3.0
139.07539	13.6
141.07019	5.0
141.09105	1.5
142.07784	6.9
143.08578	24.4
144.09352	3.0
145.06503	8.7
145.10133	36.7
147.08047	7.0
147.11699	21.3
149.09610	6.9
149.13274	2.7
151.07558	4.2
151.11200	3.9
153.06944	2.1
153.09113	4.2
155.08546	12.0
156.09396	6.0
157.06523	2.5
157.10133	34.6
158.11000	4.0
159.08101	6.6
159.11693	26.1
161.06027	1.9
161.09659	6.4
161.13226	7.2
163.07561	2.7
163.11200	3.4
165.05539	1.5
165.06992	1.5
165.09079	10.4
167.07227	1.5
167.08572	4.5
167.10695	1.7
168.09366	4.4
169.10129	20.8
170.10945	4.8
171.08063	5.6
171.11705	33.1
172.12529	1.4
173.09651	6.9
173.13260	26.0
175.07558	2.0
175.11215	5.5
175.14833	4.8
177.09152	5.3
177.12737	2.7
179.08595	3.4
179.10696	6.5
180.09367	2.3
181.10135	9.5
181.12251	2.3
182.10942	4.6
183.10193	3.1
183.11696	19.8
184.12456	2.1
185.08118	8.6
185.09691	3.9
185.13280	24.6
187.07584	1.7
187.11226	3.5
187.14806	7.3
189.09137	5.6
189.11177	3.2
189.12683	3.5
191.10699	7.3
193.08606	2.2
193.10178	6.1
193.12302	10.9
194.10899	3.7
195.10190	3.4
195.11763	13.1
195.13573	2.3
196.12463	1.9
197.09651	3.7
197.11627	2.9
197.13286	18.0
198.14050	1.9
199.11227	5.7
199.14879	9.6
201.12694	3.3
201.16414	2.0
203.10721	4.7
203.14362	2.8
205.10080	1.7
205.12329	3.9
207.10127	4.1
207.11777	4.4
207.13699	2.8
208.12381	2.8
209.09938	1.7
209.11690	2.7
209.13356	17.0
210.14024	1.9
211.11293	3.3
211.14812	16.4
212.15704	1.8
213.12735	7.9
213.16287	7.0
215.10667	2.6
215.14365	4.2
217.12289	4.7
217.15857	1.6
219.11842	3.1
219.13818	4.2
221.11522	2.8
221.13336	5.8
222.14006	1.5
223.11391	2.0
223.14929	10.5
224.15694	1.7
225.16292	7.9
227.10664	2.1
227.14308	3.8
227.17952	7.9
229.12312	3.5
231.11983	1.6
231.13893	9.3
233.11664	2.1
233.15379	9.1
235.11320	1.7
235.14859	6.5
237.12778	3.3
237.16437	7.1
239.14333	2.7
239.17924	2.7
241.12132	2.7
241.15872	2.1
241.19533	2.9
243.13806	3.5
245.15480	5.5
247.13008	1.8
247.17064	2.8
249.16685	2.9
251.17996	4.4
255.13817	5.5
255.17564	2.2
257.15503	3.3
259.13248	1.9
259.17068	2.8
263.18082	2.8
265.19534	4.7
267.17578	1.6
267.21097	4.2
269.15512	2.8
269.19077	3.4
271.16977	4.7
273.14835	3.9
273.18872	1.7
275.17789	1.9
279.17502	2.3
283.13629	1.7
283.16968	5.2
285.18631	3.0
287.16779	2.6
287.19998	17.5
291.21317	2.3
293.19031	2.3
295.17014	1.8
297.18652	2.0
299.16629	1.8
301.18137	1.9
307.16992	2.8
307.20462	3.5
309.22165	2.6
311.16299	2.2
311.19846	1.5
313.18121	1.9
325.18039	3.7
325.21735	4.9
326.22540	1.6
327.19427	5.0
327.23297	10.6
329.06604	4.0
333.22141	1.9
339.19644	4.6
339.23209	2.1
341.21030	1.8
349.21683	3.5
351.23270	3.2
359.23419	2.4
367.22733	15.3
369.24219	4.2
373.23999	5.6
377.24881	7.2
381.20425	2.8
381.24390	11.8
385.19992	1.6
385.23898	12.8
387.23285	2.3
395.25873	13.7
399.25531	13.6
403.24939	3.2
405.24417	5.6
411.25192	3.8
413.26892	7.5
423.25452	16.6
429.26440	7.3
441.21857	1.2
441.26413	49.6
459.27505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.0
55.67838	1.3
57.07061	2.1
67.05231	1.5
67.05512	16.3
69.03432	10.2
69.07063	10.6
71.04993	2.8
71.10050	3.1
73.02778	1.4
79.05491	3.6
81.03430	3.7
81.07059	16.6
83.04987	8.3
83.08630	4.7
83.30081	1.3
85.02905	2.5
85.06535	2.4
87.00801	3.2
90.85526	1.7
91.05454	3.5
93.06551	1.2
93.07044	8.3
95.04947	2.7
95.08050	2.2
95.08610	27.0
95.32293	1.4
97.02892	4.4
97.06550	1.7
97.10126	1.9
99.04456	2.4
99.08082	3.8
101.87452	1.2
104.58984	1.5
105.07027	6.1
107.08592	18.6
109.06536	9.6
109.10164	88.2
111.04418	1.7
111.08064	3.4
113.09573	1.7
119.08585	29.4
121.10165	11.7
123.08078	11.8
123.11703	7.1
127.03893	4.5
132.93062	1.4
133.10141	16.6
135.11699	77.1
137.09605	15.3
139.11243	1.8
147.11681	1.6
149.13287	7.3
151.11160	8.8
151.14784	11.3
153.12796	3.2
165.16359	2.4
175.14835	33.3
175.16280	2.5
193.15895	47.8
211.16942	100.0
213.72939	1.7
225.02412	1.7
369.03568	1.4
395.15543	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	17.8
55.01871	4.6
55.05519	18.8
57.03434	11.8
57.07079	4.8
61.02915	4.1
67.05510	31.2
68.99801	7.3
69.03430	66.6
69.07070	22.3
69.92795	13.2
70.06594	16.0
71.04998	31.9
71.14877	3.2
72.08142	17.0
77.47684	3.0
79.05492	27.9
81.03419	49.2
81.07062	55.7
83.04980	13.1
83.08624	8.1
84.04506	6.0
85.02435	4.8
85.02910	62.5
85.06561	4.3
86.09703	30.6
87.00846	22.6
87.04470	5.6
91.05480	38.8
93.07043	46.7
95.04978	10.7
95.08613	67.8
97.02895	26.0
97.06532	15.7
97.10172	5.8
97.70691	3.0
99.04461	21.7
99.08085	4.2
101.06033	6.5
103.03960	3.5
105.01871	11.6
105.03429	5.3
105.07043	54.8
107.04965	4.4
107.08598	43.4
108.93346	3.4
109.02884	47.2
109.06527	7.1
109.10161	32.4
110.07201	4.2
111.04451	7.8
111.08078	8.1
113.09633	3.7
115.07565	7.0
117.07028	12.5
119.04935	3.5
119.08585	80.8
121.10148	30.4
123.08076	8.8
123.11729	11.8
127.03921	100.0
131.08568	7.6
133.10136	61.2
134.09621	6.4
135.08060	7.3
135.11691	23.4
137.05949	5.2
137.13237	4.0
145.04970	11.2
145.10095	10.0
147.11714	26.9
149.09636	6.3
149.13263	13.4
151.11235	7.3
157.10179	5.6
159.02916	4.9
159.11742	4.6
161.13255	6.4
163.14835	16.4
165.10269	9.9
167.07085	3.9
167.14197	3.3
173.13254	17.1
175.10985	3.6
175.14822	84.2
175.38577	3.6
181.04987	24.7
181.15854	3.5
185.13084	4.8
187.06023	14.4
187.14693	3.7
189.12750	3.6
191.14281	9.8
193.09735	10.8
193.12277	7.4
193.15874	39.6
196.12125	3.4
201.05392	4.5
209.15323	5.5
211.13165	6.5
211.16927	45.6
213.03986	14.8
213.16101	6.2
215.14368	4.5
223.06093	7.4
229.18033	5.2
231.05008	22.9
277.17841	4.4
279.15768	3.6
283.16888	5.1
297.08826	13.2
301.18018	6.4
313.08835	4.4
319.19073	6.9
337.20129	4.9
355.14807	6.3
373.11008	22.1
397.22147	7.6
405.18991	9.7
415.23270	4.1
423.20035	10.2
441.21225	8.8
459.14105	10.7
459.18915	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	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.0
55.05510	9.8
59.04994	3.5
59.30630	3.4
62.99669	3.3
63.12354	3.1
67.05489	13.1
69.03433	9.4
69.07072	12.1
69.82744	20.0
69.83070	5.9
71.04987	5.0
73.63509	3.1
79.05497	6.0
80.05022	3.3
81.03428	5.5
81.07059	18.2
83.04992	7.3
83.08620	4.7
85.02931	8.6
85.88654	4.0
87.00823	4.1
91.05445	6.6
93.07033	9.8
95.08610	27.5
97.02981	3.3
99.08044	3.7
105.07037	5.6
107.08607	13.8
109.06521	7.2
109.10171	69.0
119.08598	28.0
121.10139	9.0
123.08066	12.3
123.11668	6.7
127.03957	4.8
131.99257	3.5
133.10184	16.9
135.11693	67.9
137.09598	8.3
149.13316	4.5
151.11198	9.9
151.14807	9.5
175.14859	27.2
193.15906	45.3
197.13251	3.2
211.16939	100.0
297.07648	4.5
459.18222	5.0
459.27368	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	459.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.01875	2.2
55.05516	3.9
57.03416	0.9
65.03938	0.7
67.05511	5.8
69.03430	3.1
69.07066	2.9
70.05368	2.8
71.05001	0.9
79.05495	7.7
81.03439	4.7
81.07056	7.5
83.04964	2.4
83.08612	2.5
85.02905	1.2
85.06548	1.0
91.05486	10.0
93.07044	7.5
95.04984	5.2
95.08606	4.9
97.02895	1.2
97.06519	2.2
97.10139	1.8
98.21504	0.8
99.04440	1.0
103.05486	1.6
105.07035	10.8
107.04961	2.0
107.08591	5.2
109.02922	3.1
109.06487	3.4
109.10168	4.0
111.04443	1.0
111.08107	2.1
115.05472	2.0
116.06262	1.1
117.07030	4.5
119.04961	0.8
119.08576	10.4
121.06487	3.4
121.10136	4.3
123.04385	1.2
123.08068	2.9
123.11710	1.4
125.09647	1.6
127.03909	1.2
128.06232	1.6
129.06993	4.4
131.04893	2.0
131.08575	7.7
133.06494	2.1
133.10149	6.1
135.04445	0.9
135.08080	3.0
135.11653	1.1
137.02306	1.4
137.06000	2.2
137.09628	2.1
138.90028	0.6
139.11244	0.7
141.07010	2.0
142.07773	2.4
143.08565	5.3
145.06499	2.6
145.10107	5.7
147.04480	0.8
147.08037	5.4
147.11679	2.2
149.06010	1.7
149.09608	4.4
151.07570	1.5
153.06978	1.5
154.07788	1.0
155.08549	3.4
156.09276	1.4
157.06535	0.7
157.10130	4.9
158.07304	0.7
158.10896	1.0
159.08029	6.0
159.11703	2.5
161.06000	2.1
161.09642	4.7
163.07573	2.1
163.11139	1.0
165.06953	1.3
165.09123	1.3
166.07713	0.9
167.08563	1.7
168.09300	0.9
169.10045	3.2
170.10970	0.7
171.08066	2.4
171.11710	4.6
172.08858	1.0
173.06062	0.6
173.09644	3.9
173.13251	1.8
175.07571	1.3
175.11215	2.0
177.05583	0.6
177.09134	3.1
178.07802	0.8
179.07086	1.3
179.08545	1.7
180.09317	0.9
181.10139	2.6
182.10971	1.1
183.08031	1.8
183.11667	2.3
184.08928	0.8
185.09636	2.8
185.13274	1.4
186.06799	0.7
187.07574	1.7
187.11211	1.1
189.09172	1.9
191.08614	0.9
191.10738	1.1
192.09412	1.2
193.06468	0.9
193.08536	0.7
193.10159	2.2
193.12245	2.0
194.10876	1.2
195.11726	2.9
197.09641	2.2
197.13293	2.1
199.07599	1.1
199.11266	3.4
201.09093	0.9
201.12817	0.9
203.08667	1.1
203.10820	0.8
204.09373	1.3
205.08600	1.8
205.10323	1.0
205.12106	0.9
206.10959	1.2
207.11745	2.2
208.12251	0.7
209.09665	1.4
209.13271	2.1
210.10350	0.7
211.07545	1.2
211.11198	1.2
211.16730	0.7
213.09137	1.2
213.12761	1.3
215.08661	1.3
215.10637	1.5
215.14330	0.7
216.09328	1.0
217.08572	2.4
217.10330	1.4
217.12280	1.6
218.10976	0.8
219.09979	0.9
219.11928	1.1
219.13815	0.8
220.12508	0.8
221.13226	2.3
222.10475	0.9
223.11270	1.5
223.14862	0.8
225.12717	1.9
227.07011	0.8
227.10669	2.0
227.14243	0.7
228.09326	0.7
229.08360	0.9
229.10312	1.0
230.10898	1.5
231.11603	2.4
232.12465	1.2
233.13315	0.9
235.11249	1.4
235.14825	0.9
237.12701	1.1
239.10686	1.0
241.12218	0.6
243.11772	1.0
244.12537	1.2
245.07964	3.0
245.11694	2.7
246.10388	0.8
246.13934	0.8
247.11160	1.3
247.14970	1.0
249.12802	0.9
251.10596	0.8
253.10243	1.3
255.11784	0.8
256.12659	0.8
257.13245	1.2
258.14148	0.8
259.14920	1.0
261.12698	0.8
263.14185	0.7
265.12210	1.3
270.10431	0.8
270.14368	0.8
271.14828	1.1
272.11765	1.0
273.09229	0.7
273.16116	0.6
275.14215	0.6
277.12042	1.0
279.10406	0.6
279.14130	0.7
279.34781	0.6
281.11618	1.2
283.11295	1.5
285.15704	0.8
291.13831	1.4
293.11804	0.8
293.14987	1.1
295.13388	0.7
301.12350	0.6
303.17291	1.0
305.15311	1.4
309.11093	1.0
309.14661	0.9
313.12646	8.0
313.16028	1.1
317.15460	1.4
319.16748	1.1
323.16260	0.7
329.15332	2.0
331.16968	2.4
333.14716	1.3
335.12854	1.3
335.16513	1.4
341.15558	1.2
344.14182	0.6
347.16373	5.1
349.17960	2.6
349.21759	1.0
351.16025	1.9
355.13635	2.1
359.16351	4.6
363.15851	1.3
365.17508	1.3
367.11459	0.8
367.22665	3.9
372.13400	0.8
373.14697	57.0
375.15857	1.7
377.17395	7.1
379.15158	0.8
385.23471	3.5
387.15805	1.7
393.16830	1.1
395.18546	2.2
403.24530	0.9
405.16904	3.6
423.17792	5.5
441.19049	2.7
441.26367	0.7
459.19342	100.0
459.27222	12.8
460.19675	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01867	1.2
55.05514	0.6
56.96565	4.4
57.03443	2.8
59.04993	0.8
61.02929	3.7
65.03948	0.3
67.05486	0.3
69.03083	0.6
69.03433	8.3
69.07060	0.6
70.03754	0.4
70.06590	1.7
70.98121	0.4
71.01341	0.7
71.04982	1.4
72.08144	0.6
73.02917	2.8
73.06538	0.8
75.04477	0.5
79.05503	0.5
81.03413	2.3
81.07030	0.6
82.06622	0.5
83.04945	0.6
84.08135	0.9
84.96043	1.0
85.02910	15.2
86.03283	0.5
87.04461	1.6
89.03920	0.5
91.03953	0.9
91.05476	1.0
95.04958	1.4
97.02908	6.7
97.06530	1.0
98.01154	0.3
98.21073	1.1
98.97588	18.6
99.04438	2.4
99.08083	1.4
100.07622	0.9
101.07903	0.4
102.96870	0.7
109.02892	1.8
110.01274	0.6
110.97574	4.9
111.04469	1.1
112.99141	0.5
115.03979	0.4
116.07106	0.7
116.98626	6.5
117.03371	0.5
118.06552	0.4
119.01885	1.4
119.04975	0.5
121.06480	0.5
121.69416	0.3
123.04420	0.6
124.99081	0.5
125.06017	1.2
127.03931	4.1
128.04269	0.4
128.98639	3.5
129.10245	0.5
131.00223	0.4
131.01808	0.5
133.07605	1.3
133.58037	0.3
134.99693	1.4
135.04471	0.5
135.09175	0.9
136.06190	16.9
137.05792	1.7
137.06529	4.4
140.98613	0.7
141.05464	1.0
143.00192	1.2
143.01878	2.0
143.07037	0.5
145.05168	3.0
145.07616	77.5
146.08275	0.8
146.99663	1.7
147.03305	0.8
147.04510	2.3
147.05598	2.2
147.09148	0.8
149.05919	0.6
150.05449	0.4
151.03905	0.5
151.06023	0.4
155.01866	1.2
155.04660	4.0
158.56558	0.5
158.99664	10.6
159.05054	0.7
159.06540	0.7
159.09175	1.7
161.01251	1.1
161.02966	2.6
161.04286	0.3
162.03561	0.5
163.02695	0.4
163.03954	1.0
163.08678	7.8
165.10207	0.8
167.07098	0.5
168.05403	0.5
170.99664	3.5
171.09154	0.4
171.31056	0.4
173.01303	0.5
173.02940	1.1
173.06651	0.9
175.02817	0.5
177.00723	6.7
177.05600	1.5
182.99611	0.5
185.06572	0.8
187.02800	0.8
189.00720	4.2
189.04204	0.8
189.05931	0.5
190.04898	1.1
191.02139	0.4
193.04204	0.5
199.04926	0.4
201.00694	1.5
201.04323	0.6
202.04904	0.5
203.02299	0.4
203.03923	0.7
203.07565	0.6
205.00232	0.5
207.01787	1.2
209.08401	0.7
210.03845	0.5
215.07726	0.4
217.03806	0.6
217.08047	1.1
217.58260	0.5
218.08922	2.1
218.59148	0.4
219.01758	10.4
219.05038	0.6
221.05072	2.3
223.04788	0.4
227.06911	1.3
229.03836	0.5
231.01779	0.8
237.02824	7.4
237.05321	0.6
237.06157	0.6
244.04295	1.5
245.05228	0.6
249.02882	1.5
249.05937	0.6
251.07683	0.5
251.13989	1.0
252.08043	1.2
255.03911	0.6
261.02606	0.7
261.06366	0.5
262.07083	1.3
267.13342	0.6
270.06696	0.5
271.07578	1.6
272.06754	0.6
272.10254	1.2
272.60101	0.4
273.02652	0.4
273.08182	1.2
275.09631	0.5
279.03940	8.7
279.13409	61.9
280.13889	0.5
289.06049	0.9
291.03821	0.9
291.07452	1.6
293.05582	0.6
293.10947	2.1
297.14423	4.0
298.08072	0.3
298.10876	2.7
298.60715	0.8
299.11481	2.9
305.03314	0.5
307.06818	1.4
307.10474	1.8
307.60687	0.7
309.04971	1.7
309.08722	4.4
310.09937	1.5
319.06982	2.3
325.10455	0.4
327.10257	0.6
333.10666	3.9
333.60748	0.5
334.11179	0.8
336.06827	1.2
337.07758	0.9
342.10858	0.5
344.59613	0.7
345.10233	4.0
345.60559	0.6
348.06918	0.7
351.09225	1.1
360.10846	1.0
363.09467	0.8
368.60660	0.4
369.11230	3.4
369.61667	0.5
381.10474	1.1
387.06012	0.4
399.11069	1.0
459.19763	100.0
460.20145	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05611	2.4
65.32845	0.6
66.44156	0.5
67.05238	1.3
67.05623	3.8
69.07186	2.0
69.30375	1.3
69.30784	4.9
79.05621	4.1
81.03477	4.1
81.07185	4.3
83.05097	2.0
83.08746	1.9
88.11150	0.6
91.05631	5.1
93.07191	3.7
95.05117	2.8
95.08173	1.1
95.08768	2.4
97.06685	2.0
97.10312	1.9
99.04576	1.0
100.11355	1.0
100.44366	0.7
103.05567	0.8
105.07185	4.9
107.05099	1.4
107.08746	3.9
109.03013	1.3
109.06664	2.3
109.10324	2.2
110.75756	0.8
117.07183	1.9
119.08749	6.0
121.05889	0.7
121.06673	1.8
121.10311	2.1
123.08237	2.0
125.06068	0.8
125.09785	0.7
127.03931	1.0
128.06313	0.9
129.07170	2.7
131.08586	3.8
133.06625	1.5
133.10291	2.6
135.08203	1.9
135.11809	1.3
137.09789	1.5
141.07129	1.1
142.07921	0.8
143.07249	0.8
143.08733	3.0
144.25861	0.7
145.06664	2.2
145.10306	2.4
147.08223	2.6
147.11824	1.3
149.06085	1.0
149.09753	1.3
155.08707	1.1
156.09470	0.8
157.06688	0.8
157.10321	2.8
159.08249	3.0
159.11760	1.6
161.06100	1.5
161.09816	2.1
163.11336	1.2
167.08698	1.3
169.10316	1.9
171.08258	0.9
171.11871	2.1
173.09705	1.5
173.13330	0.9
175.11346	1.9
177.09280	1.1
181.10234	1.3
183.08284	0.8
183.11816	1.7
185.09766	1.4
185.13467	0.7
187.11295	0.9
189.09216	1.0
193.10292	1.4
193.12346	1.6
195.11832	1.4
197.09721	1.3
197.13535	1.2
199.11314	1.2
201.12778	0.9
205.12305	0.8
206.11108	1.4
207.11780	1.4
209.10074	0.9
209.13383	1.0
217.08717	1.0
225.12952	1.1
231.11987	1.1
243.11679	0.9
245.08231	1.4
245.11726	1.2
251.14386	1.0
253.10593	1.7
255.14008	0.8
261.12854	0.8
270.14136	0.8
283.11719	2.2
313.12555	14.9
313.15866	1.1
329.15570	0.8
331.17172	1.1
335.12701	1.0
347.16418	1.4
355.13882	4.4
359.16348	1.5
367.22629	3.6
373.14716	97.1
374.15076	1.5
377.17343	3.7
385.23767	2.8
405.16794	1.3
423.17911	2.7
432.92227	0.7
441.18723	1.6
459.18616	100.0
459.27112	7.2
460.19543	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	11.0
55.01880	16.5
55.05513	8.3
55.06378	1.6
57.03436	6.2
57.07078	2.2
66.03260	1.8
67.05511	48.8
69.03439	33.4
69.07066	8.3
69.81828	2.8
69.82234	7.1
71.05005	10.8
73.02911	5.6
79.05502	29.4
81.03421	36.5
81.07065	50.2
83.04973	2.2
83.08597	4.3
85.02916	11.6
85.06567	2.5
91.05480	16.3
93.07053	31.2
94.50966	1.8
95.04974	3.4
95.08049	3.4
95.08617	37.9
97.02898	45.7
98.20706	3.6
99.04463	61.3
99.05114	3.5
101.02361	2.7
105.07054	12.6
107.08583	16.2
109.02892	33.7
109.10165	25.1
111.04450	8.1
117.07041	6.2
119.08600	11.2
121.10160	15.8
123.08118	2.1
123.11698	12.3
127.03928	100.0
131.08586	8.3
133.10161	10.5
135.11711	12.9
137.13260	3.9
141.61565	1.9
143.08548	2.7
145.04971	19.2
145.10153	8.8
147.11694	5.6
149.13275	7.2
159.11725	8.1
161.13272	5.0
163.14844	2.7
171.11766	1.7
173.13257	6.7
175.14838	4.0
187.14836	3.3
241.19565	2.0
243.21162	4.0
259.20651	4.2
261.22183	24.0
277.21695	7.0
279.23203	5.4
313.21500	1.9
351.23114	1.9
369.24283	4.3
387.25473	3.2
405.26303	7.3
423.27417	30.9
440.35483	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	458.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79967	6.0
53.03955	13.6
55.05505	29.9
57.82181	7.9
67.05508	94.4
69.03429	31.9
69.07071	27.2
71.04984	10.4
73.02892	6.7
79.05491	70.6
81.03436	34.8
81.07064	76.2
83.08597	8.7
85.02912	33.1
85.06551	9.0
91.05458	37.3
93.07053	100.0
95.08607	60.2
97.02891	40.4
99.04456	15.4
105.07059	43.0
107.04931	11.2
107.08607	49.2
109.00576	5.9
109.02886	17.1
109.06535	9.3
109.10164	40.9
117.07025	14.0
119.08580	35.3
121.06509	11.1
121.10131	53.7
123.11735	15.8
127.03917	26.2
127.07570	6.3
129.06993	13.6
131.08566	31.7
133.10130	29.0
135.11713	29.5
137.13240	6.9
145.05005	11.7
145.10114	28.7
147.04332	7.7
147.11697	28.4
149.13261	18.0
152.09372	6.6
157.10045	7.1
159.11705	23.5
161.13307	16.1
169.10217	7.0
171.11725	11.6
173.13203	15.9
182.67828	6.7
185.13289	8.8
187.14758	12.0
197.40105	6.7
229.43877	6.8
243.21036	7.3
259.20654	12.7
261.22156	34.4
279.23221	9.4
315.23312	7.7
341.24744	6.4
369.24323	29.4
387.25443	31.8
405.26321	25.1
423.27469	27.7
440.35767	7.0
458.37488	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	458.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26341	0.4
61.02907	0.6
62.06089	0.6
69.03424	1.6
69.26022	0.4
69.54723	2.0
69.55137	0.8
70.06588	1.4
72.08140	0.5
79.05496	1.0
81.03433	0.6
82.06116	0.9
82.06585	12.4
84.08190	0.5
85.02921	3.2
87.04437	0.6
91.05508	0.9
93.07050	1.0
95.04942	0.5
97.02895	1.7
98.20827	0.7
98.97598	1.1
100.07629	38.3
103.05479	6.1
107.04980	1.7
113.06004	1.0
119.04919	0.6
120.08118	100.0
120.14217	0.4
121.08420	0.6
122.06059	1.0
127.03921	0.6
128.07118	1.0
131.04950	2.5
131.07069	1.7
134.99634	0.4
136.06201	17.0
136.07571	1.7
137.04704	0.4
145.05048	1.0
149.05981	1.9
150.05556	1.2
151.03918	4.2
151.05875	0.6
160.65149	0.5
164.07074	1.1
166.08656	54.5
180.08856	0.5
219.01819	1.5
237.02872	0.8
241.06470	1.6
259.07565	2.3
269.57977	0.6
296.11569	0.9
296.14972	1.2
302.10339	0.9
440.15149	0.8
458.16040	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	458.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06577	0.4
71.27598	0.5
82.06577	0.9
85.02921	0.4
94.04043	0.8
97.02908	0.4
98.97604	0.3
100.07617	2.3
119.03558	2.0
120.08111	1.0
122.06042	0.3
125.05990	0.4
136.06189	100.0
137.04639	0.5
137.06516	0.5
151.03899	0.2
166.08650	0.6
172.10989	0.2
199.68134	0.2
219.01831	0.2
237.02858	0.3
260.21442	0.2
285.24319	0.2
307.84241	0.2
319.06848	0.3
332.68076	0.2
342.10995	0.6
443.47641	0.3
458.15955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18137	2.3
55.05516	21.0
57.07067	7.9
58.03782	2.6
67.05505	13.5
69.07061	16.5
71.04975	5.2
71.08643	3.9
71.15697	6.6
74.82034	3.0
79.05490	11.5
80.14739	2.8
81.07062	30.8
83.08624	13.0
83.43372	2.8
85.06519	5.1
91.05480	11.2
93.07046	21.9
95.08605	43.5
97.06504	3.7
97.10181	16.0
99.08073	4.1
105.07043	21.9
107.08607	36.7
109.10159	37.1
110.63883	3.0
111.11723	3.1
117.07063	4.3
119.08595	36.7
121.10162	27.7
123.11702	42.3
125.09647	9.3
131.08562	7.3
133.10129	28.1
135.11700	27.3
137.13275	6.5
141.12758	5.1
145.10133	10.9
147.11728	15.1
149.13245	15.5
157.10152	5.4
159.11700	16.6
161.13274	15.4
163.14818	5.8
171.11717	6.9
173.13324	11.7
175.14880	11.6
177.16432	7.2
183.11838	4.1
185.13193	4.4
187.14822	10.2
189.16431	14.9
191.17970	6.7
200.20137	4.6
201.16389	7.9
203.18030	6.0
205.15845	3.2
207.17511	6.4
213.16479	7.0
215.18002	8.3
217.19582	6.1
225.16266	3.0
227.17961	6.3
229.19568	11.5
239.17859	4.2
241.19557	10.3
243.21161	10.8
245.19055	3.8
255.21129	4.0
257.22668	4.8
259.20587	3.5
283.26483	4.7
284.26685	4.0
297.25858	3.9
313.25171	4.0
355.29974	3.8
367.29962	8.2
406.41302	3.3
421.34628	9.8
436.72028	3.6
439.35361	25.9
457.20889	3.0
457.34341	18.1
457.40494	100.0
458.41068	3.1
484.08591	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	457.3678
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
55.05506	3.5
57.07082	1.8
65.44536	1.6
67.05508	23.9
69.07054	6.0
69.50747	2.8
69.51157	7.0
79.05496	4.2
81.07052	13.1
83.08617	3.0
91.05469	4.9
93.07042	6.6
94.34882	1.4
95.08038	2.5
95.08607	25.4
97.53051	1.5
99.08061	1.9
105.07017	5.5
107.08605	8.9
109.10159	100.0
112.93188	1.7
113.09678	7.0
119.08588	8.3
121.10126	6.2
123.11716	5.8
131.08545	3.5
133.10109	6.0
135.11687	3.7
139.11168	1.5
143.08510	2.1
145.10132	4.5
147.11671	5.8
157.10101	1.8
159.11694	5.1
161.13248	8.7
163.11238	1.7
171.11697	3.6
173.13266	3.6
175.14836	3.7
177.16423	2.8
185.13260	3.4
189.16374	3.6
197.13159	2.3
199.14841	3.1
201.16267	2.5
213.16394	4.0
215.17966	1.7
227.17946	3.5
231.17392	2.9
231.50008	1.7
241.19531	2.2
245.19112	7.7
257.18808	2.3
271.20541	2.8
295.24225	3.5
297.22052	1.9
311.23712	4.6
313.25232	23.6
365.28345	3.2
404.17648	1.5
421.34592	13.3
439.35593	5.7
457.36676	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	457.3678
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
55.05518	46.4
57.07072	16.9
59.05008	7.3
65.03939	4.5
67.05506	40.0
69.03429	9.6
69.06775	4.1
69.07076	45.4
69.39404	12.5
69.39832	17.1
70.06586	7.0
71.04996	23.6
71.08638	4.6
73.06557	10.6
79.05498	27.7
80.02448	3.3
81.07066	70.7
83.04983	8.7
83.08639	20.5
85.06544	15.2
85.20490	3.7
88.07639	5.8
91.05486	29.8
93.07054	70.9
95.08613	95.6
97.06510	18.0
97.10162	17.7
99.08108	25.8
102.09196	5.0
105.07034	52.3
107.08607	100.0
109.06553	7.2
109.10167	87.6
111.08096	10.6
113.09647	3.7
117.07032	12.3
119.08588	92.8
121.10147	80.2
123.08073	7.1
123.11735	41.2
125.09648	29.1
127.07558	6.1
127.11201	16.2
128.06218	5.1
129.07051	7.1
129.09294	3.7
131.07022	8.4
131.08569	33.0
133.10141	65.1
135.11707	71.2
137.09669	6.5
137.13269	12.3
139.11209	9.7
143.08589	18.1
143.10683	21.3
144.09369	5.6
145.10144	58.0
147.11685	47.8
149.13234	22.4
151.11159	8.4
153.12802	5.9
155.08516	4.0
156.09390	5.8
157.10153	23.7
158.10960	3.8
159.11696	62.2
161.13286	45.6
163.11223	7.2
163.14835	10.8
165.12820	4.6
169.10191	7.5
169.12256	13.0
171.11665	30.7
173.13266	46.3
175.14806	22.4
177.16338	6.8
179.14336	6.8
181.12280	14.4
183.11696	5.8
183.13885	5.4
185.13286	25.8
186.13995	3.9
187.14851	49.4
189.16371	22.0
191.14369	11.4
191.17976	10.7
193.15924	5.1
197.13286	7.8
197.15398	6.7
199.14867	19.9
200.20047	7.6
201.16423	31.0
201.20457	10.5
203.17993	16.2
205.15985	19.4
207.17474	4.3
211.14905	10.5
211.16856	4.4
213.16389	18.7
214.17091	4.2
215.17966	29.1
219.17529	5.0
225.16357	11.2
227.18039	22.3
227.19777	4.1
229.19553	48.5
233.18993	9.5
237.16228	3.7
239.17953	4.8
241.19534	38.6
243.21095	62.3
245.19061	7.8
247.20633	10.9
253.19438	5.5
255.21098	18.4
257.22751	4.9
259.20688	27.4
267.21082	8.7
269.22638	11.9
281.22559	7.4
283.26498	4.9
284.26865	12.0
285.22217	6.4
287.23651	7.5
293.22684	4.8
295.24185	9.9
297.25784	12.3
299.23981	6.1
299.27371	4.1
313.25272	12.5
315.26773	5.6
325.25229	4.3
325.28882	6.1
341.28430	6.9
348.75259	3.9
349.28909	14.9
351.26657	4.5
353.28717	4.8
367.29947	58.8
385.31039	29.2
421.34763	33.0
439.35779	98.1
457.30704	6.4
457.36725	99.8
457.44345	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	457.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	13.6
57.07077	11.5
67.05512	15.6
69.03436	13.4
69.07076	19.2
70.06599	9.5
71.04978	5.3
71.08625	9.1
76.33732	1.9
79.05488	8.1
81.07066	28.5
83.04953	2.6
83.08617	9.0
85.06541	4.6
85.10197	3.7
88.07634	14.1
91.05490	8.9
93.07040	21.0
95.04957	3.7
95.08615	36.7
96.08926	3.4
97.06528	5.2
97.10144	6.4
99.08099	4.4
102.09186	9.3
104.21651	2.1
105.07053	23.5
107.08612	33.5
109.06532	4.9
109.10167	29.7
111.08079	3.5
111.11665	2.2
112.12436	1.9
112.43430	2.2
113.00043	2.8
117.06994	5.0
119.08581	24.2
121.10149	32.3
123.08044	4.5
123.11697	14.9
125.09673	7.1
127.11217	5.0
131.08580	10.2
133.10147	21.1
135.10764	3.4
135.11682	21.1
137.13257	5.5
139.11218	3.9
143.08554	4.2
143.10616	3.0
145.10143	16.1
147.11717	14.0
149.13249	7.8
151.14819	2.0
155.12584	2.4
157.10143	6.8
158.10812	2.2
159.11694	24.9
161.13277	16.9
163.14864	5.0
164.42345	1.8
164.98238	1.8
169.02660	3.3
169.12234	3.0
171.11725	10.9
173.13287	15.8
175.14877	11.2
177.16360	2.6
179.14307	2.1
181.12250	4.3
183.11734	4.7
183.13828	2.2
185.13274	9.3
187.14804	12.3
189.16428	7.5
191.14314	4.1
191.17966	2.4
193.15819	3.0
197.13361	3.2
199.14862	5.5
200.20116	25.2
201.16399	7.5
201.20462	20.2
209.15378	15.7
211.14804	5.0
211.16718	2.6
213.16371	8.1
214.17097	2.2
215.18022	4.8
218.21303	2.9
225.16464	3.2
226.17302	3.6
227.18015	9.7
229.19472	14.1
241.19524	8.4
243.21088	17.9
247.20372	2.2
253.19437	2.4
255.20956	4.6
257.22595	3.6
259.20566	4.1
260.26456	2.1
269.22708	2.5
281.22556	2.4
283.26407	16.5
284.26663	28.7
297.25787	4.9
299.23618	4.5
313.25266	4.7
314.27649	2.3
315.26825	2.7
317.24579	2.6
325.28989	9.4
343.29932	3.8
349.29025	2.9
367.30081	9.8
368.24368	2.3
385.31094	5.4
421.34641	7.2
439.35822	31.8
457.36737	32.9
457.44385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55043	2.4
55.05509	27.0
55.90436	2.7
57.07058	10.3
59.05003	4.1
67.05508	23.7
69.07075	35.9
69.73737	16.1
71.05003	14.6
71.08645	3.9
73.06567	7.2
79.05482	12.2
81.07063	48.2
83.04974	11.4
83.08627	15.6
85.06537	6.9
87.49517	2.5
91.05478	15.3
93.07051	38.6
95.08614	71.1
97.06510	7.6
97.10156	10.9
99.08112	13.6
105.07032	29.2
107.08604	61.5
107.86246	2.9
109.06517	3.9
109.10156	77.0
111.08097	9.6
113.09653	4.7
117.07067	3.5
119.08583	44.9
121.10144	57.0
123.08090	6.7
123.11726	32.5
125.09634	15.3
127.11197	8.4
131.08617	14.7
133.10143	42.5
135.08052	7.1
135.11691	33.3
137.09616	14.3
137.13249	8.2
139.11163	12.0
141.12741	3.0
143.08537	8.4
145.10129	28.8
147.11719	30.5
149.13283	22.4
151.11189	17.5
153.12679	3.2
157.10120	15.4
159.11705	43.2
161.13304	17.8
163.11162	11.4
163.14781	7.5
165.12794	18.7
165.16403	4.9
167.14287	6.9
169.10052	4.8
169.28287	3.0
171.11713	15.0
173.13300	21.0
175.14851	23.8
177.12799	24.2
177.16382	4.6
183.11671	5.8
183.50879	3.0
185.13249	15.9
187.14841	44.0
189.12775	3.2
189.16451	14.6
191.14365	3.0
191.17943	6.1
193.15897	70.6
197.13295	5.3
199.14789	6.8
200.20200	4.1
201.16373	12.9
203.14265	6.0
203.18013	4.1
205.15958	3.1
207.17505	5.8
209.18871	4.2
211.14993	4.7
211.16888	26.4
213.14558	3.7
213.16411	22.8
215.17998	9.0
217.19522	3.0
219.17432	3.6
225.16406	5.5
227.17970	22.8
228.18758	7.0
229.19571	16.6
231.17436	19.6
243.17548	3.2
245.19028	54.3
247.20650	7.0
255.21152	5.9
257.18933	3.8
267.21024	3.3
273.22092	6.2
281.22748	4.0
283.24094	4.1
284.26743	6.9
297.22205	4.4
299.23746	5.6
301.25323	3.9
357.31448	9.1
367.29898	14.0
385.31082	23.9
421.34653	34.6
439.29907	6.0
439.35736	100.0
457.35757	82.9
457.44424	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	457.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10475	1.0
52.52974	0.8
53.03945	5.7
55.05498	3.6
57.07069	1.7
67.05501	5.0
69.07077	7.2
69.29627	3.3
69.30054	4.6
71.04988	2.6
71.08627	1.4
79.05487	4.4
81.07067	8.8
83.08613	2.0
87.02705	1.2
91.05482	4.7
93.07055	7.0
95.04958	5.8
95.08141	1.0
95.08617	11.5
97.06536	1.7
97.10210	1.7
98.20818	2.1
99.08144	1.1
105.03398	100.0
105.04525	3.6
105.07038	16.6
106.07784	1.0
107.08607	10.9
109.10161	10.7
113.09575	1.1
117.07018	2.2
119.08580	8.3
121.06467	1.4
121.10149	9.8
123.08057	1.4
123.11716	3.6
125.09628	3.4
127.11192	3.8
131.08574	3.1
133.06488	7.2
133.10143	8.8
134.07253	4.1
135.08054	13.8
135.11691	5.7
137.13280	2.1
143.08626	1.9
143.10632	1.5
145.10109	5.9
147.11702	5.9
149.13216	5.2
151.07545	2.3
151.11226	1.6
157.10146	2.2
159.11758	5.0
161.13310	5.8
163.11176	1.7
163.14873	2.9
165.03711	7.1
165.09164	1.0
165.12711	1.2
171.11679	2.8
173.13245	3.3
175.14839	3.5
177.12807	1.4
179.05267	1.2
185.06065	1.0
185.13248	1.8
187.14827	3.7
189.16412	2.4
193.15973	1.1
199.14899	1.8
201.16402	2.6
203.17960	1.7
205.15878	2.6
213.16325	1.4
217.15866	1.4
221.15382	1.9
231.16786	1.3
233.18987	2.0
277.16104	4.2
280.08643	1.0
295.17279	21.5
313.25104	1.1
317.24725	6.8
357.27710	2.1
421.34836	6.5
439.35709	11.7
457.36945	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	457.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.5
55.05511	21.6
57.03404	5.2
57.07082	5.3
57.56573	4.4
65.03938	5.7
67.05502	25.3
69.03082	5.9
69.03435	86.3
69.07063	18.8
71.04991	7.8
71.55495	3.9
79.05496	28.3
81.06729	3.9
81.07072	40.7
83.04961	15.1
83.08611	12.3
85.06545	5.3
87.02356	4.0
88.01804	4.5
91.05482	50.6
92.56525	4.3
93.07049	52.1
95.04980	30.4
95.08622	45.7
97.06532	21.5
97.10143	5.3
103.05455	5.8
105.07039	65.5
105.46524	4.3
107.07944	7.7
107.08602	68.7
109.06516	11.3
109.10178	28.9
111.08060	15.8
115.05434	6.4
117.07027	29.6
119.08583	74.7
121.06557	9.4
121.10162	43.5
123.08048	11.5
123.11751	7.1
128.06216	11.5
129.06998	21.1
131.08578	37.2
133.06514	10.1
133.10136	56.5
135.08093	24.5
135.11699	23.7
137.09618	24.3
137.13226	7.0
142.07774	17.7
143.08543	35.7
144.09380	4.9
145.06479	7.9
145.10127	56.3
147.08061	16.8
147.11674	34.6
149.08420	5.4
149.09627	100.0
149.13287	11.0
153.06985	4.3
155.08611	12.5
156.09369	10.6
157.10133	50.0
159.08046	12.2
159.11711	48.9
161.09633	18.1
161.13214	26.1
163.11192	14.0
165.06975	7.6
167.08571	8.3
168.09328	5.5
169.10120	33.3
170.10873	9.1
171.08006	5.3
171.11720	38.2
173.09605	18.9
173.13240	27.8
175.11188	14.9
175.14751	5.8
177.12746	10.1
179.08580	4.5
180.09413	6.5
181.10115	15.6
183.11720	54.9
185.09657	5.9
185.13301	35.7
186.10361	5.7
186.70906	5.2
187.11183	17.4
187.14778	14.2
189.12756	25.9
193.10197	7.5
195.11713	22.6
196.12318	4.7
197.09583	5.9
197.13295	28.8
199.11203	13.6
199.14868	15.2
200.11914	7.2
201.12726	20.4
201.16333	6.0
203.14345	15.3
205.10161	6.5
207.11621	13.5
209.13332	16.0
211.14793	17.2
213.12749	10.1
213.16496	8.2
215.14348	38.4
219.11694	8.7
221.13301	16.0
223.11220	8.6
223.14798	17.7
225.12715	5.2
225.16400	12.4
227.14372	7.3
229.12201	6.9
229.15878	8.3
231.11732	5.6
233.13251	6.5
235.14783	12.7
237.16483	6.5
239.14352	5.7
239.18002	6.8
241.15764	8.2
243.17540	11.4
247.14790	11.2
249.16377	5.3
251.14268	5.5
251.18004	8.3
253.16040	6.4
255.17497	6.5
261.16391	9.7
263.17819	9.9
264.65012	5.2
265.15979	7.8
267.17523	10.1
285.18417	12.2
287.14273	6.0
291.21078	14.5
293.22736	8.9
307.20551	8.1
309.22125	46.7
311.23773	29.1
313.18039	5.2
317.18933	8.3
327.17337	6.1
327.23309	5.4
335.23755	6.6
349.25153	11.6
351.26697	10.2
361.25137	37.5
365.17496	6.6
369.27893	7.7
377.21051	5.0
379.19046	9.0
379.26385	89.4
395.21823	5.5
397.27356	58.6
407.18277	8.0
439.21036	10.9
457.22287	20.7
457.29327	28.1
457.35028	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	457.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
53.14957	1.7
55.01869	4.1
55.05508	9.3
65.03934	1.9
67.05503	10.4
69.03425	18.8
69.07080	10.7
69.22253	17.6
71.04980	6.2
73.06518	2.2
79.05495	15.3
81.03395	6.4
81.07050	19.9
83.04955	6.4
83.08614	6.5
85.06555	5.2
87.04475	12.3
88.04252	1.6
91.05477	24.4
93.07048	20.6
95.04955	7.5
95.08140	1.9
95.08611	20.8
97.06529	10.9
97.10143	2.2
99.04469	10.2
101.06039	2.1
103.05465	2.6
105.07027	36.9
107.04936	5.5
107.08591	31.0
108.23540	1.8
109.02896	2.2
109.06516	9.7
109.10139	8.4
111.04431	2.1
111.08026	3.4
113.05978	3.3
115.03964	4.4
115.05451	3.8
116.06161	2.2
117.07018	12.7
119.07790	3.2
119.08578	35.5
121.06493	8.8
121.10152	16.4
121.73474	1.7
123.08053	6.7
123.11678	2.1
125.05991	2.1
127.03913	11.3
127.07535	1.8
128.06169	8.5
129.05475	1.9
129.07002	14.8
130.07799	4.3
131.04977	1.6
131.08569	29.7
133.06468	7.5
133.10143	32.8
133.31691	1.7
135.08035	8.3
135.11665	6.8
137.05948	2.2
137.09586	4.3
139.07523	6.6
141.07008	7.2
142.07800	12.1
143.08556	27.1
144.09314	3.1
145.06485	5.6
145.09082	1.9
145.10132	31.7
147.08054	7.4
147.11676	14.7
149.09660	9.7
149.13373	1.9
151.07507	5.2
151.11176	4.0
153.05478	3.1
153.06895	2.4
153.09113	4.3
154.07779	3.9
155.07164	2.3
155.08566	16.4
156.09335	7.1
157.10126	40.6
158.10892	4.5
159.08080	10.5
159.11678	24.1
161.05994	2.3
161.09605	7.9
161.13242	5.1
163.07512	5.3
163.11227	3.5
165.06992	4.9
165.09103	4.4
166.07719	3.9
167.07286	1.9
167.08517	10.2
167.10654	2.0
168.09302	6.6
169.08746	2.5
169.10132	29.5
170.10844	5.0
171.08051	5.9
171.11678	30.3
172.12038	1.9
173.09656	10.5
173.13286	12.4
175.11166	6.8
177.09142	8.4
179.08463	8.5
179.10626	5.4
180.09314	6.5
181.08658	2.8
181.10121	19.6
182.10826	5.9
183.08020	2.4
183.11667	33.4
185.08128	2.6
185.09641	8.1
185.13248	19.3
187.07472	1.9
187.11156	5.2
187.14769	4.7
189.09099	6.0
189.12651	3.7
191.08604	2.9
191.10638	5.3
192.09430	4.3
193.08586	2.6
193.10143	15.2
193.12181	3.9
194.10916	9.0
195.10126	3.0
195.11696	28.5
196.12457	5.9
197.09520	4.8
197.13264	22.2
198.14072	2.3
199.11237	9.1
199.14752	10.0
201.09091	2.2
201.12766	6.1
203.10669	5.5
205.10069	7.0
205.12051	3.5
206.10938	9.3
207.10074	5.9
207.11693	25.3
207.13553	3.8
208.12447	7.1
209.09756	3.1
209.13281	28.8
210.14037	3.6
211.07419	2.4
211.11176	7.5
211.14856	15.2
213.09267	2.6
213.12769	9.0
213.16330	3.7
215.10727	3.6
215.14499	2.0
217.12228	7.1
218.10866	2.5
219.11682	12.0
219.13795	4.7
220.12466	6.5
221.13382	22.3
222.13974	6.5
223.11201	5.2
223.14821	22.9
224.15608	2.9
225.12764	7.0
225.16364	7.3
227.10603	3.4
227.14265	5.2
229.12213	5.0
230.10875	2.8
231.11710	5.2
231.13809	7.6
232.12427	4.0
233.13234	8.1
233.15318	3.5
234.13998	4.8
235.11264	4.2
235.14850	15.5
237.12755	3.6
237.16391	13.2
239.14255	4.7
239.17900	3.2
241.12166	4.0
241.15950	2.1
243.11662	2.2
243.13818	5.9
244.12411	2.3
245.13205	6.2
245.15324	3.3
246.14034	6.3
247.14899	12.6
248.15611	4.1
249.12794	2.9
249.16478	12.5
251.14281	3.6
251.17912	5.5
253.12227	5.5
253.15791	4.1
255.13887	3.8
257.15436	3.8
259.14981	3.6
260.15585	2.2
261.16327	6.4
262.17041	3.5
263.14307	4.9
263.17932	10.9
264.18839	2.3
265.15927	3.2
265.19467	8.5
267.13760	4.4
267.17407	2.1
267.21182	2.0
268.14584	1.9
269.15390	6.2
271.13303	2.8
271.16992	4.5
273.16525	3.8
275.14236	3.2
277.15793	5.3
277.19403	3.2
279.20901	2.9
281.15332	7.3
281.18951	4.1
282.16302	1.9
283.14023	1.9
283.16797	9.9
285.18561	4.6
287.17572	2.3
289.15982	2.5
289.19525	4.2
291.13760	2.2
291.17279	6.1
293.15317	2.0
293.18896	3.8
295.16965	2.9
297.14758	3.7
297.18481	2.6
303.59229	2.5
305.18927	5.8
307.17172	3.3
307.20499	9.9
309.15198	2.2
309.18552	4.4
311.16348	4.2
311.19925	2.3
315.17532	2.6
319.16919	2.6
321.18512	2.9
323.16388	4.5
323.20023	15.0
324.20831	2.4
325.18045	3.0
325.21542	31.3
326.22333	4.1
331.20685	2.7
333.18430	3.8
333.21738	4.6
337.17850	7.7
347.16315	2.7
349.21649	4.3
351.19586	7.1
353.21152	3.1
357.21930	2.3
361.17523	2.4
365.21115	2.9
365.25043	2.4
367.22757	4.0
369.16507	2.2
375.19016	5.5
375.23273	9.9
379.18793	6.6
379.23029	12.5
387.18033	2.3
393.19931	3.3
393.24655	11.4
397.19724	5.4
397.24301	14.4
403.22913	2.4
411.20712	2.9
411.25964	9.3
415.20770	3.0
421.24109	16.7
427.24637	5.6
439.25177	48.8
457.26318	100.0
484.56705	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
53.85727	1.7
54.41488	2.0
55.01854	3.9
55.05513	12.3
57.07069	3.1
57.89169	1.9
67.05511	13.2
69.03433	23.4
69.07080	13.2
69.36605	18.2
71.04986	3.5
71.08617	2.2
79.05499	14.7
81.03426	3.8
81.07069	20.1
83.04972	9.6
83.08614	6.2
85.06534	6.4
87.04478	9.8
91.05489	17.7
93.07051	20.3
95.04980	3.4
95.08618	20.5
97.06535	6.4
97.10188	2.3
99.04463	20.8
105.07041	28.7
107.04961	3.4
107.08598	21.4
109.06506	7.7
109.10176	11.8
111.04438	3.1
111.08058	4.1
113.06014	5.8
115.05505	3.3
117.07009	7.4
119.08589	32.5
119.93627	2.1
121.06483	3.5
121.10134	15.7
123.08065	5.1
123.11693	3.5
125.06078	2.4
126.76052	2.4
127.03915	17.9
127.07522	2.5
128.06227	3.9
129.05486	4.4
129.06995	9.6
131.04974	4.7
131.08575	23.2
133.06502	3.9
133.10130	28.9
135.08057	4.5
135.11647	7.5
137.09645	3.1
141.06972	5.4
142.07794	5.9
143.08569	24.1
144.09296	2.5
145.10132	30.5
147.08073	4.5
147.11696	12.1
149.09532	3.2
151.07541	5.9
151.11140	2.4
153.05460	2.5
154.07777	2.4
155.08545	15.4
156.09444	10.6
157.10143	39.1
159.08058	6.0
159.11707	21.9
161.09641	8.1
161.13243	4.1
165.07018	4.8
165.09128	4.0
167.08598	7.8
168.09372	4.2
169.10158	26.9
170.10910	5.9
171.07971	4.1
171.11685	28.4
173.09631	4.2
173.13269	12.4
175.11166	4.4
177.09105	4.7
177.16512	2.9
179.08553	8.9
180.09315	5.7
181.10118	22.5
182.10902	6.5
183.11710	39.2
184.12436	2.5
185.13277	18.3
187.11185	5.7
187.14816	4.4
189.12746	2.2
191.14363	2.3
192.09323	3.4
193.10126	17.3
193.11981	3.6
194.10905	8.6
195.10219	1.6
195.11731	36.2
195.13455	4.0
196.12421	4.8
197.09555	2.6
197.13286	22.6
199.11258	4.4
199.14803	7.6
201.12672	5.0
203.08734	3.4
203.10704	5.7
203.17845	3.0
205.10164	6.0
205.12262	5.5
206.10887	5.4
207.10075	3.3
207.11728	27.0
208.12453	8.5
209.09755	4.2
209.11494	3.1
209.13292	30.7
210.13986	4.3
211.11156	5.2
211.14851	12.6
213.12793	7.5
213.16374	2.7
215.10725	4.0
217.12202	7.5
219.11699	12.7
219.13722	4.1
220.12436	8.2
221.13324	27.1
222.14046	5.3
223.11330	3.6
223.14824	24.8
225.12799	4.3
225.16394	8.5
227.10712	2.6
227.14435	3.0
229.12248	7.8
230.10896	2.8
231.11797	4.1
231.13844	8.4
232.12491	4.4
233.13371	12.0
234.14087	5.8
235.11163	2.8
235.14873	18.8
236.15599	3.0
237.09134	2.8
237.12794	4.3
237.16380	14.8
239.14430	4.5
239.17923	6.1
241.12161	3.4
243.13823	5.2
245.13252	6.7
245.15448	2.6
246.14140	3.3
247.14923	14.4
248.15569	4.5
249.12685	6.3
249.16467	16.3
250.17166	2.6
251.14378	4.9
251.17897	7.6
253.12207	5.3
255.13855	5.8
257.15436	5.4
259.14810	5.2
261.12769	2.9
261.16391	7.7
263.14322	7.8
263.17859	12.4
264.18726	3.7
265.15921	5.7
265.19504	11.5
267.13791	5.7
267.21005	3.8
269.15335	9.5
273.16434	3.6
274.29919	2.2
277.15906	2.9
277.19394	4.8
279.13608	2.7
281.15320	6.9
281.18390	2.3
283.16962	12.9
285.18671	4.8
289.19510	2.9
291.17432	6.0
293.15244	4.7
297.14993	4.8
297.18549	3.0
299.16507	2.9
299.20145	5.9
305.18954	7.0
307.17294	2.7
307.20630	11.5
309.15051	4.2
309.18524	6.4
311.20096	3.7
315.20947	2.2
323.16461	3.8
323.19974	24.3
325.18051	4.3
325.21619	52.8
326.22437	6.7
329.17746	2.7
331.20700	3.9
333.18481	3.5
333.22171	4.1
337.17896	9.1
339.19675	4.0
347.23489	2.8
349.21524	4.1
351.19510	3.8
353.15848	3.3
357.21848	3.1
365.17340	3.2
367.22549	3.2
371.16788	58.4
371.21613	5.1
375.23074	11.2
379.18484	3.5
379.22879	14.8
385.20688	2.5
389.19437	2.4
393.24332	22.0
397.19467	4.7
397.24365	12.0
401.19992	3.1
403.22763	4.4
411.25323	13.1
415.21265	3.5
421.23944	21.3
427.24738	8.6
439.24905	57.8
440.24948	2.4
457.20364	57.3
457.25836	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73424	1.7
53.03949	3.4
53.41846	1.5
53.45150	1.6
54.97045	1.5
55.05510	9.1
56.98848	1.7
67.05518	9.4
69.03442	24.7
69.07089	13.2
69.33424	1.8
69.50161	12.3
71.04994	6.1
79.05497	10.1
81.03428	7.2
81.07066	15.3
83.04984	6.2
83.08634	6.3
85.06559	5.6
87.04487	9.4
91.05483	16.1
93.07053	17.5
95.04998	3.1
95.08611	12.9
97.06534	4.7
99.04455	24.9
105.07039	23.4
107.04974	3.5
107.08607	15.7
109.02927	2.6
109.06549	5.0
109.10180	6.9
111.04466	2.4
111.08073	3.5
113.06021	5.5
115.03936	3.4
115.05486	2.5
117.07050	7.7
118.72118	1.6
119.08591	23.3
121.06503	4.5
121.10130	13.1
123.08109	3.9
123.11757	3.1
127.03931	14.3
127.07594	2.9
128.06265	4.8
129.05510	2.8
129.06963	10.1
131.08585	21.9
131.36212	1.8
133.06493	2.4
133.10141	17.1
134.76340	1.6
135.08060	3.0
135.11697	4.8
137.06169	1.8
139.07570	2.3
141.07048	5.8
142.07846	9.3
143.08557	20.2
144.09372	2.3
145.10135	23.2
145.38907	1.6
147.08131	5.5
147.11655	10.1
149.09648	4.2
151.07550	2.2
153.09174	1.8
154.07808	4.1
155.08582	14.5
156.09399	8.7
157.06586	2.1
157.10144	35.9
159.08067	4.6
159.11723	16.6
161.09668	4.9
163.07545	3.4
165.07050	7.2
165.09120	2.1
166.07788	1.9
167.08600	7.1
168.09457	3.4
169.10149	28.0
170.10951	5.9
171.06451	3.0
171.08009	2.2
171.11717	28.1
173.09647	5.7
173.13298	6.6
175.11278	3.3
179.08575	8.4
179.10718	3.1
180.09389	4.6
181.08688	2.6
181.10161	17.9
182.10931	7.4
183.10214	3.6
183.11703	28.2
184.12547	2.4
185.09711	4.0
185.13283	14.3
187.11182	2.5
187.14876	2.8
191.08820	2.2
191.10764	3.3
192.09377	3.5
193.10164	20.0
194.10867	8.4
195.09975	2.4
195.11700	32.4
196.12538	5.1
197.09680	4.1
197.13297	21.6
199.11264	4.6
199.14912	7.3
203.10672	3.3
205.10194	7.8
205.12143	3.7
206.10960	6.8
207.09982	3.0
207.11729	20.8
208.12561	7.7
209.09790	4.1
209.11467	2.3
209.13304	29.5
210.14046	3.4
211.11302	5.5
211.14824	17.9
213.12854	3.8
213.16373	4.2
215.10692	2.9
215.14252	2.4
217.10274	3.0
217.12355	5.4
218.10936	2.3
219.11787	7.9
219.13802	3.4
220.12555	5.7
221.13271	24.1
222.14114	4.3
223.11386	3.1
223.14848	25.3
224.15727	2.8
225.16475	7.6
227.10800	2.7
227.14369	6.3
229.12363	7.2
230.11058	2.6
231.11888	3.4
231.13919	7.5
232.12480	3.4
233.13277	13.9
233.15280	2.6
234.14160	6.3
235.11340	2.3
235.14854	19.0
236.15540	1.9
237.12895	4.2
237.16412	16.4
239.14410	3.0
239.17967	5.3
241.12228	4.3
243.13853	4.1
245.13388	4.3
245.15503	5.7
246.14101	4.2
247.14862	14.8
248.03842	1.8
248.15666	4.2
249.12845	4.7
249.16400	15.8
251.14505	3.0
251.18105	5.9
253.12408	4.1
253.15878	3.0
255.13921	5.5
257.15512	5.5
259.14926	4.0
261.16513	10.9
262.17300	2.8
263.14462	6.8
263.17899	11.2
264.18747	3.1
265.16141	4.7
265.19644	10.0
267.14005	4.1
267.21222	2.2
269.15665	5.0
273.16479	3.1
277.15964	3.4
277.19601	5.3
279.17630	2.6
281.15463	6.4
281.19138	2.5
281.51678	1.8
283.17050	11.0
285.18716	3.6
287.18103	3.8
289.16238	2.5
289.19537	4.8
291.17459	3.3
293.15622	2.2
295.17148	2.9
297.15393	2.1
297.18680	2.1
299.20132	3.6
305.15689	3.1
305.19098	7.2
307.17194	3.5
307.20679	10.8
309.18610	3.9
311.16644	2.5
311.20135	3.1
313.21878	1.8
323.16461	4.5
323.19992	20.9
325.18085	3.1
325.21600	47.7
326.22406	4.0
331.20642	2.9
333.22321	3.3
337.18079	7.7
339.19742	2.5
349.21692	2.8
351.19565	5.2
351.23416	2.0
353.21170	3.7
355.19058	2.4
357.21860	3.1
371.22299	2.6
375.23227	11.4
379.18863	2.4
379.22913	13.3
383.18475	3.5
387.18234	2.4
393.24338	17.8
397.19617	3.3
397.24377	9.3
403.22757	4.1
408.95444	2.0
411.25452	7.3
421.23752	18.8
427.25009	9.0
439.24860	51.2
448.38501	2.5
457.26010	100.0
458.26672	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	457.222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94837	4.6
51.32062	4.6
55.01867	10.0
55.05502	16.2
62.91524	5.5
67.05499	10.9
69.07064	11.2
79.05499	42.8
81.03402	7.0
81.07070	30.8
83.04960	12.4
85.02916	8.4
85.06528	6.0
91.05498	46.4
93.07061	40.7
95.04967	100.0
95.08594	24.9
97.06532	56.3
103.05472	7.0
105.07037	57.8
107.04874	8.5
107.08582	37.8
109.06509	10.3
109.10135	8.2
117.07024	34.4
119.08578	61.9
121.06478	18.0
121.10140	8.9
125.67979	4.9
128.06168	8.6
129.06969	18.1
130.07803	4.9
131.08571	35.4
133.06459	22.0
133.10123	24.6
135.08037	35.3
137.09645	7.2
142.07745	13.7
143.08601	32.6
145.06471	6.4
145.10121	35.9
147.08046	18.5
149.09590	43.3
154.07710	5.6
155.08542	22.6
156.09326	23.1
157.10147	66.6
159.08044	22.5
159.11658	43.1
161.06003	7.9
161.09544	12.2
165.07007	8.9
165.09183	7.2
167.08586	9.6
168.09334	10.1
169.10146	36.0
170.10924	13.1
171.08040	7.7
171.11714	48.1
173.09679	25.7
173.13248	17.5
175.07446	6.5
177.09090	18.1
179.07086	8.5
179.08601	15.8
181.10150	22.7
183.08134	5.4
183.11690	78.9
185.09616	17.4
185.13257	25.3
187.11148	24.9
189.09120	7.8
191.06926	5.8
192.09349	11.0
193.10114	23.4
194.10907	10.8
195.07991	8.7
195.11719	34.0
196.12492	5.5
197.09654	9.5
197.13208	7.8
199.11140	21.3
201.12781	28.5
205.10175	10.9
206.10851	15.9
207.11644	31.3
208.12486	9.7
209.09758	8.8
209.13251	26.6
211.11188	22.3
215.10678	5.9
216.09428	6.1
217.10092	15.0
218.10788	7.5
219.11681	15.2
221.13252	28.2
223.11206	11.2
223.14859	12.5
225.12770	16.5
227.10648	8.8
229.10214	7.6
229.12279	21.2
230.10910	8.9
231.11681	19.9
231.13780	9.0
232.12408	12.4
233.09534	7.1
233.13249	22.9
233.15367	9.3
234.10303	6.1
235.14786	11.7
237.12637	15.3
237.16335	7.0
239.14360	8.5
243.11662	13.6
244.12398	11.6
245.13185	23.8
245.15414	10.7
246.14079	18.7
247.11176	11.6
247.14932	27.7
249.12756	12.0
249.16565	9.1
251.14221	12.2
257.13174	8.0
258.14120	12.0
259.14810	17.3
261.12579	8.7
261.16550	13.4
263.14291	10.1
263.17825	5.4
265.12231	10.2
265.15845	6.3
267.13849	6.1
269.13245	7.3
273.16238	15.6
275.14349	8.3
275.17969	7.8
277.12094	6.4
277.15860	6.7
279.13675	6.4
279.17499	7.2
281.15512	6.1
285.16428	6.1
287.17834	6.7
289.15738	10.6
289.19470	8.0
291.17468	8.3
295.13342	12.9
299.16559	5.7
301.15692	9.7
303.17438	22.3
305.11722	6.7
305.15268	6.8
307.16992	9.8
315.17523	9.5
317.18985	31.7
319.16861	12.6
321.18539	26.9
329.13770	6.3
337.17914	11.0
339.19409	6.1
343.16653	10.8
345.18411	15.4
347.16333	23.9
351.19678	7.1
361.17877	22.6
363.19574	29.5
365.17343	25.7
377.21262	18.6
379.19055	34.8
381.20459	6.8
383.18130	6.8
389.17224	14.1
393.20572	10.5
395.22092	22.5
397.19925	8.1
403.18729	9.6
407.18625	22.3
413.23203	7.3
421.20081	27.2
425.19452	20.0
439.21149	68.6
457.22046	93.3
471.67432	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.1
55.05489	2.8
59.05236	1.8
67.05492	3.3
69.03452	8.3
69.07081	2.5
70.45646	2.7
70.46031	2.7
73.03739	1.6
76.03536	1.7
76.82382	1.9
79.05482	7.9
81.03401	3.5
81.07059	9.8
83.04971	1.7
85.02892	3.2
87.00820	2.9
91.05480	6.6
93.07050	6.3
94.59344	1.6
95.04996	2.5
95.08594	5.9
97.02924	3.8
97.06557	1.9
99.04444	2.3
99.72668	1.6
104.47265	2.0
104.69987	1.7
105.07036	10.8
107.04972	4.2
107.08601	16.9
109.02891	3.3
109.06514	3.6
109.10160	8.0
111.04484	2.6
116.69162	1.5
117.07024	2.9
119.06048	1.7
119.08604	5.7
121.06509	3.1
121.10139	11.5
122.07292	4.7
124.80161	1.7
127.03945	4.7
129.06921	2.5
130.05016	3.0
131.08583	4.6
133.10141	100.0
135.08086	10.2
135.11650	2.7
137.06065	2.5
137.09624	53.3
143.08569	2.1
143.33470	1.6
145.10117	3.9
147.11659	4.3
149.09642	2.9
149.13303	9.4
153.05408	1.7
155.08676	2.2
157.10139	2.9
163.11098	2.0
163.14836	2.0
164.36157	1.9
167.07060	2.4
173.13271	7.7
191.14319	59.4
209.15271	8.1
233.13301	2.1
421.19714	2.5
439.20926	9.0
457.21924	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01530	1.6
53.03954	3.1
54.29052	1.8
55.01869	3.3
55.05504	4.4
57.07061	1.4
65.03927	2.2
67.05496	4.2
69.03423	17.0
69.07071	3.6
69.28562	16.2
70.81123	1.5
71.04966	2.8
79.05492	5.3
80.27431	1.7
80.27972	1.6
81.03407	10.2
81.07056	13.2
83.04963	4.8
85.02899	15.2
87.00816	7.1
88.34814	1.6
91.05477	7.2
91.76724	1.5
93.07034	4.6
95.04983	3.6
95.08606	8.2
97.02900	4.9
99.04448	4.2
100.70168	1.7
105.01857	3.7
105.07024	7.7
107.04986	2.0
107.08595	20.3
109.02874	7.6
109.06540	9.7
109.10162	5.8
117.06993	2.7
117.67704	1.5
118.59250	1.6
119.08571	6.0
121.06567	2.8
121.10152	20.4
121.50227	1.6
122.07297	4.0
123.08029	4.1
127.03934	13.5
130.05011	2.8
131.08559	5.1
133.10133	100.0
135.08057	9.2
135.11688	3.6
137.09621	61.0
145.04951	2.3
145.10075	3.9
146.57416	1.9
147.11703	4.0
149.09647	5.2
149.13271	15.9
151.11195	38.4
156.69191	1.6
159.02904	3.1
163.14763	2.9
165.12749	24.8
173.13287	8.5
191.14314	56.8
193.15912	7.3
193.39067	1.7
209.07910	2.5
209.15373	81.1
231.04916	2.4
420.41315	1.8
457.13373	2.3
457.21664	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07547	1.7
55.05506	2.3
55.50422	1.8
67.05484	3.7
69.03426	10.0
69.07064	8.6
69.51833	10.8
71.04975	3.6
74.54587	2.0
79.05484	3.8
81.03409	7.1
81.07040	8.1
83.04976	12.1
85.02902	8.9
87.00835	4.1
91.05481	4.9
93.07028	9.0
95.04941	3.4
95.08611	22.0
97.06535	3.1
98.21511	2.1
99.08070	5.2
105.01867	2.1
105.06992	4.7
107.08598	29.0
109.02846	4.5
109.06499	7.8
109.10143	15.1
111.08065	2.9
119.08584	3.7
121.06469	2.5
121.10139	29.1
122.07285	1.9
123.08062	5.9
123.11664	2.7
125.09610	9.9
127.03887	7.7
131.08528	5.0
133.10115	16.1
135.08047	11.5
135.11687	4.9
137.09615	9.4
139.11162	5.2
145.04967	3.0
145.10136	3.3
147.11763	9.9
149.09621	9.8
149.13280	14.6
151.11185	83.5
153.09125	2.2
163.14804	10.3
165.12749	7.8
167.72369	2.0
173.13228	14.3
191.14310	90.6
209.15366	100.0
222.19156	1.9
400.07669	2.0
404.41699	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
53.12028	0.7
55.01862	1.0
61.02903	0.7
65.61368	0.7
68.91833	0.6
69.03436	5.9
69.07076	1.2
70.06591	2.8
71.05000	0.9
71.55647	0.9
72.08153	1.4
79.05502	5.7
81.03420	3.7
81.07051	5.9
83.04993	1.8
84.04512	1.1
85.02909	5.3
86.09724	1.6
87.00828	2.4
87.04497	0.8
88.46220	0.7
91.05481	4.5
93.07042	6.7
95.04951	1.8
95.08591	2.3
97.02871	2.6
99.04450	1.7
103.03896	1.1
105.01917	1.4
105.07036	12.3
106.07896	0.7
107.04948	3.9
107.08601	2.4
109.02882	2.9
109.06532	3.6
119.04915	0.9
119.08600	2.3
121.06487	3.8
121.10136	16.6
122.06058	0.8
123.08083	1.6
123.11703	3.0
125.09643	1.8
127.03928	5.5
129.07033	1.0
131.08572	1.3
133.07611	1.5
133.10109	1.8
135.08052	1.9
137.05940	1.3
137.09581	0.9
145.04916	1.6
149.09625	100.0
151.11165	5.5
167.10699	1.5
171.07921	0.7
173.13277	1.8
177.05458	0.9
191.14317	24.6
193.15952	1.0
209.07993	0.8
209.11566	1.0
209.15347	7.2
227.29691	0.8
231.05106	1.1
326.10440	0.9
330.88632	0.7
335.11026	0.8
349.63034	0.8
357.60660	0.7
410.11130	0.7
415.16019	1.1
457.16183	4.6
457.20895	1.4
457.24231	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	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01880	3.7
55.05516	1.5
57.28831	0.7
61.02934	0.8
65.99134	0.8
67.05505	1.8
69.03435	4.0
69.07074	14.1
69.81898	0.7
69.82198	4.1
71.04984	1.4
73.02937	1.2
79.05486	2.9
81.03428	3.8
81.07047	3.1
83.04984	2.3
85.02898	5.3
85.06537	1.1
87.00832	2.9
91.05476	6.2
93.07050	13.0
95.04966	2.6
95.08614	3.0
97.02892	1.5
97.06550	1.7
99.04448	1.6
105.07042	5.5
107.04927	0.8
107.08617	10.5
109.02924	3.5
109.06521	2.7
109.10168	2.4
117.07024	2.0
119.08591	5.2
121.06512	13.7
121.10161	8.5
123.08109	1.6
123.09390	0.8
123.11762	0.8
127.03944	4.4
131.08597	4.6
133.06447	0.7
133.10127	6.5
135.08063	8.6
135.11693	2.9
137.09592	1.4
143.08531	1.7
145.04979	1.9
145.10138	3.0
147.08043	0.8
147.11700	29.8
149.09659	3.6
149.13272	8.6
153.80051	0.8
156.09352	0.8
157.10191	1.0
158.10838	0.9
159.02913	1.5
159.11673	2.0
161.09645	5.2
161.13167	1.0
163.11189	1.6
163.14825	1.7
165.09106	0.7
171.11707	1.2
173.13275	6.6
175.11246	0.8
176.11923	1.6
183.11896	0.8
185.13217	0.8
191.14319	100.0
192.14792	1.1
195.11757	0.8
209.11769	1.2
209.15384	7.9
212.26299	0.9
213.12660	1.1
242.34464	0.8
353.15842	1.0
371.13129	1.2
371.16925	8.6
439.20297	1.3
457.20456	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	457.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
54.04185	1.6
55.01870	3.3
56.96557	3.9
57.03432	4.8
58.65022	2.0
61.02914	5.3
69.03432	18.9
69.48608	4.1
69.49013	10.0
70.06577	2.4
71.04985	2.5
73.02898	4.1
74.69637	1.7
81.03401	7.8
84.96039	2.5
85.02909	68.9
87.04456	2.7
91.03949	5.1
91.94350	1.7
97.02898	20.8
98.97588	24.1
99.04427	4.2
100.07645	3.0
109.02865	4.3
110.97601	10.1
112.99169	1.9
116.07105	2.8
116.98605	5.9
119.01855	2.7
124.99105	2.2
127.03931	21.0
128.04247	1.9
128.98604	5.4
131.00201	2.2
140.98546	3.0
143.00127	5.1
145.04964	21.6
153.05338	2.1
157.01717	3.1
158.99643	7.6
161.01208	4.6
161.02937	4.3
163.03864	1.9
170.99638	5.6
173.02866	1.7
175.02777	2.4
177.00677	3.6
182.03265	2.5
182.99623	4.0
183.77147	1.6
185.01181	2.2
187.04478	2.2
189.00726	3.6
190.04988	2.6
191.03815	2.9
195.06505	1.8
201.00705	14.0
203.02350	2.6
219.01787	12.3
221.03294	4.4
231.01736	2.7
237.02773	4.0
240.15204	1.7
243.01764	3.7
243.06204	2.7
245.05154	4.4
261.02817	18.5
262.07120	2.0
263.04257	4.0
272.06528	4.6
277.07712	3.1
279.03937	6.8
286.05170	4.0
291.03726	1.8
321.04959	4.7
323.06210	2.2
352.10251	3.0
367.08405	4.1
389.07434	2.3
413.08344	7.3
457.07260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28404	1.7
53.03937	3.9
55.01860	2.2
55.11808	1.7
57.07073	1.9
61.02908	2.1
67.05502	11.0
69.03436	10.8
69.07071	2.2
70.06603	12.6
71.04987	4.9
71.08401	2.8
71.08741	3.6
72.08159	4.4
77.67054	2.2
79.05483	6.5
81.03395	6.5
81.07061	31.0
82.06587	8.0
83.04982	2.7
83.77036	2.1
84.04481	2.3
84.08138	3.0
85.02902	15.1
85.06541	7.0
86.09702	6.9
90.79630	1.7
91.05473	8.8
93.07030	8.4
95.04954	3.0
95.08556	3.7
95.71400	2.1
97.02894	20.8
97.06520	2.8
98.06096	2.6
99.04485	3.8
99.08092	2.2
100.07624	29.9
105.07000	2.5
107.08578	3.1
109.02882	14.9
109.06526	49.1
109.10195	2.5
111.04446	12.8
112.07623	2.7
113.06003	3.9
116.07071	4.1
118.60951	1.9
119.04927	4.3
120.08137	2.6
121.10141	2.0
125.06006	4.5
127.03099	2.2
127.03939	17.9
127.07561	13.3
131.04948	3.1
133.10124	1.8
136.07584	2.8
137.05984	100.0
145.04936	8.3
153.05357	2.8
155.07022	29.3
155.10652	1.9
164.07056	1.9
171.06520	2.9
173.08113	83.8
175.08720	2.1
177.05460	5.8
178.96420	2.3
187.06100	2.8
187.10793	2.8
191.09140	18.7
209.04445	14.8
281.10147	11.3
294.13419	4.3
299.11133	14.7
304.13889	7.5
317.12350	5.1
335.13297	7.8
346.42563	2.3
438.21661	2.1
456.17648	9.0
456.23642	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	456.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
57.03421	0.7
58.98327	0.4
63.95782	0.5
67.05490	1.1
69.03433	2.1
69.07054	0.6
71.04994	38.6
71.20019	0.7
71.84174	0.4
79.37809	0.4
81.03410	2.9
81.07037	0.6
81.59727	0.4
84.04539	0.4
85.02914	2.6
85.06541	5.2
85.96465	0.5
88.05720	0.5
89.16322	0.4
91.05482	0.6
91.61092	0.4
93.07072	0.6
95.04962	0.6
97.02898	3.7
99.04460	1.2
103.07643	0.5
105.07045	1.2
107.08594	0.6
108.04503	0.7
109.02876	2.2
109.10169	0.4
109.79466	0.4
113.06011	5.2
119.08547	0.7
120.08108	0.6
121.10161	0.8
127.03938	2.9
127.07555	17.5
130.05020	0.6
131.06146	0.7
131.07056	8.4
131.08574	0.7
133.10123	1.2
145.04910	1.9
145.08601	100.0
155.07019	0.5
170.08134	0.6
173.08104	3.1
173.13274	1.0
185.08232	0.6
191.09151	15.2
191.10834	0.9
191.14253	1.1
208.14191	0.6
212.16425	0.6
228.11034	0.5
229.13206	0.5
257.10168	1.3
265.11896	1.2
299.11340	0.9
313.11688	0.8
317.12311	2.4
335.13394	6.1
342.22845	0.7
423.93399	0.4
456.22238	2.4
456.29523	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
53.03948	1.4
60.04531	12.2
69.03437	1.4
69.07081	0.7
69.17812	6.5
70.06588	1.1
71.04996	2.3
75.23551	0.6
78.90407	0.5
79.05503	3.6
81.03423	3.4
81.07080	1.2
85.02894	1.9
86.09685	0.7
92.31890	0.6
93.07042	0.8
95.05013	0.7
95.08589	1.0
97.02898	3.2
98.06055	0.8
99.04443	0.9
103.05469	15.4
105.03390	0.9
105.07025	1.2
106.06562	59.4
107.04971	10.9
107.08565	0.7
109.02891	12.2
109.06545	0.6
119.08572	1.5
121.10174	1.0
121.48828	0.6
127.03925	3.1
127.07574	0.8
131.04935	100.0
137.09575	0.8
138.09961	0.7
145.08603	4.4
148.07585	42.1
149.05977	1.8
149.09622	1.1
164.90741	0.7
190.08641	58.6
191.09096	1.5
207.13966	0.8
208.09666	8.2
208.14111	1.5
257.08136	7.4
274.08295	0.6
275.09180	2.8
293.10135	2.2
315.13452	0.8
316.11838	1.5
318.12115	1.1
320.28668	0.6
334.12851	2.0
352.13876	1.5
372.62466	0.7
456.16534	0.9
456.22552	3.6
456.30365	0.7
457.16757	0.9
457.23798	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3524
Annotation	Melilotigenin B
Peak:m/z	Relative Intensity
53.00301	3.3
53.03941	4.7
55.05510	26.1
56.67765	4.1
57.07074	9.4
59.04987	8.8
65.03938	3.2
65.75849	3.8
67.05238	3.0
67.05511	34.7
69.03430	11.1
69.07074	31.0
70.94213	7.6
70.94534	3.3
71.04991	13.9
71.08639	4.9
71.89339	3.5
72.59538	3.4
73.06568	8.9
79.05501	27.7
81.03412	4.4
81.07063	48.6
83.04988	19.9
83.08611	16.4
85.06571	8.5
91.05485	26.4
93.07053	47.4
93.82500	4.1
95.04947	5.7
95.08613	74.9
97.06539	14.8
97.10194	8.1
99.08081	10.6
105.03403	8.1
105.07043	44.5
107.08597	65.4
109.06542	8.9
109.10165	58.1
111.08133	6.7
113.09693	3.9
117.07067	10.0
119.08582	53.5
121.10146	67.8
123.08062	12.3
123.11698	22.3
125.09624	27.6
127.11225	7.0
129.07054	9.0
129.64302	3.5
131.08539	18.7
131.64374	3.4
133.10135	60.6
135.08031	6.6
135.11688	36.3
137.09633	7.3
137.13289	9.8
139.11191	10.5
141.09157	4.3
143.08549	14.9
143.10706	4.9
144.09418	3.9
145.10158	40.1
147.08156	4.2
147.11687	28.4
149.09727	6.3
149.13300	10.9
151.11162	8.5
153.12766	4.9
155.08519	4.5
157.10159	23.0
159.11699	49.1
161.09605	5.6
161.13268	26.3
163.11192	11.1
163.14832	7.5
165.12772	14.7
169.10124	14.3
169.12242	3.7
171.11687	26.1
173.13252	22.8
175.11125	6.8
175.14848	14.8
177.12724	7.4
181.10146	5.4
181.12244	7.3
183.11726	8.5
185.13260	18.9
187.11188	4.6
187.14841	21.7
189.12706	7.1
189.16412	13.0
191.14320	5.2
193.15918	5.8
195.11977	4.8
197.11597	4.3
197.13318	8.6
197.15422	4.9
199.14847	16.1
201.12828	5.3
201.16434	17.7
203.14333	5.0
203.17986	10.3
205.15895	8.1
209.13377	5.1
211.14795	13.2
211.16743	4.8
213.16415	17.1
215.14314	7.1
215.17979	16.9
217.15878	7.0
223.14790	6.1
225.16534	4.9
227.17908	20.9
229.15903	4.5
229.19527	8.0
231.17482	13.2
233.19012	6.0
239.17891	10.2
241.19620	10.1
243.17490	10.0
245.18974	26.9
253.19507	9.0
255.21129	8.4
257.19022	50.7
259.20636	6.0
265.19431	4.3
267.21155	4.7
269.12268	8.9
269.18954	5.3
271.20694	9.5
283.20569	8.2
285.11780	4.2
285.22195	5.3
295.24216	5.3
297.25671	3.7
299.23712	4.2
311.23669	13.0
313.25211	8.4
316.12180	5.7
323.27295	5.8
325.25134	8.4
339.26758	12.0
341.28152	9.5
349.28931	3.7
353.28406	12.2
360.94968	4.2
365.28387	25.7
383.29495	24.4
419.32861	12.9
437.34201	55.6
455.15689	4.6
455.35327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3524
Annotation	Melilotigenin B
Peak:m/z	Relative Intensity
55.05518	23.8
57.07071	16.8
59.04992	21.5
67.05498	20.9
69.07078	33.5
69.30064	4.2
79.05493	15.5
81.07064	29.9
83.04992	8.0
83.08614	13.2
85.06555	6.8
91.05501	11.7
93.07034	32.6
95.05028	5.1
95.08616	62.7
97.06550	34.5
97.10178	26.3
98.21554	7.7
105.07049	27.6
107.08602	46.5
109.10165	36.8
115.07564	14.2
119.08604	39.8
121.10146	51.4
123.08088	14.9
123.11692	21.9
125.09639	48.8
127.11223	14.8
130.50394	5.8
131.08559	14.4
133.10156	40.9
135.11720	30.1
139.11185	10.4
143.08632	12.0
143.10672	33.4
145.10136	23.1
147.11700	26.0
149.09624	5.3
151.11118	5.3
153.12764	10.0
157.10120	13.0
159.11707	31.3
161.13275	20.8
163.14783	6.2
165.12749	8.9
171.11658	22.2
173.13275	19.3
175.11201	5.9
175.14818	11.1
177.12657	7.1
179.14317	5.6
183.11714	9.3
185.13289	16.0
187.14854	22.3
189.12701	5.9
189.16437	7.7
191.14244	6.1
197.13252	8.3
199.14888	11.8
201.16402	15.5
213.16437	8.5
225.16418	6.4
227.17982	15.9
231.17453	11.6
239.18050	9.9
241.19501	8.7
245.18958	32.4
253.26559	5.8
257.18985	21.4
267.21085	5.5
271.20642	11.1
283.20770	5.4
283.26306	8.3
285.22229	21.0
289.24905	5.9
295.24170	22.8
313.25165	48.7
339.26492	6.3
351.27112	6.6
379.29889	6.5
419.33218	20.7
437.34085	58.5
455.35245	100.0
456.43906	9.1
457.57428	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	CHEBI:69004
Peak:m/z	Relative Intensity
51.89836	1.5
53.03933	1.4
55.05509	18.5
57.07062	6.2
59.04989	2.5
65.03934	3.1
67.05505	27.6
69.03431	33.3
69.06722	1.7
69.07067	18.1
70.29029	2.8
70.29445	4.3
71.04982	3.3
71.85595	1.3
73.06535	4.8
79.05490	13.8
81.03403	1.9
81.07056	37.6
83.04951	4.3
83.08619	8.0
85.06535	3.3
85.10180	1.8
87.74953	1.5
91.05484	15.1
93.07041	31.7
95.04974	26.6
95.08605	49.5
97.06517	6.8
97.10186	3.0
98.20796	1.7
99.08112	1.6
103.05400	1.5
105.07030	31.8
107.04961	4.2
107.08596	44.6
109.06518	3.9
109.10159	39.9
111.08097	9.1
111.11728	2.3
113.09638	3.4
117.07020	7.7
119.08591	36.5
121.06462	2.1
121.10143	33.5
123.08063	6.5
123.11706	15.2
125.09648	3.2
129.06973	5.7
131.08563	22.3
133.10133	33.4
135.08055	4.7
135.11696	33.3
137.09567	3.1
137.13252	3.7
139.07524	3.4
139.11185	3.2
141.06915	1.7
141.09085	4.9
142.07780	5.1
143.08563	13.3
144.09288	1.7
145.10129	28.2
147.11684	20.8
149.09595	3.7
149.13263	10.7
151.11156	2.4
153.12840	2.0
155.08554	4.5
156.09332	2.2
157.10117	15.8
158.10851	1.9
159.07947	1.7
159.11700	36.9
161.09631	2.3
161.11964	2.6
161.13261	36.4
161.14587	1.9
163.14836	9.2
165.12752	1.4
167.10722	3.9
167.14342	1.7
168.09319	1.6
169.10167	9.1
169.12228	1.5
170.10959	1.9
171.11693	18.2
172.12459	2.3
173.13268	29.5
175.11186	2.6
175.14825	18.3
177.12756	2.7
181.10091	2.9
182.10817	1.7
183.11716	10.8
184.12419	1.7
185.13266	16.0
186.14024	2.2
187.14821	26.7
189.12747	1.6
189.16405	8.7
191.14294	4.0
195.11697	5.1
196.12657	2.1
197.13255	11.0
198.13963	3.2
199.14835	15.6
201.16336	14.4
203.14331	1.4
203.17978	4.2
205.15819	2.5
207.11711	2.1
209.13263	4.6
211.14775	11.0
213.16394	20.2
214.17221	2.2
215.14325	2.0
215.17935	13.9
221.15276	1.7
223.14877	3.9
225.16360	7.0
227.17924	13.8
229.15904	6.5
229.19493	19.7
231.17465	2.2
235.14769	2.0
237.16385	3.5
239.17944	7.7
241.19519	13.0
243.21069	20.6
245.19098	1.8
247.20552	3.0
249.16338	2.3
251.17996	4.3
253.19519	4.3
254.20386	3.5
255.17421	2.2
255.21158	7.9
259.20618	1.6
265.19464	5.3
267.21103	7.3
269.22699	7.0
273.22073	2.4
279.21072	4.9
281.19611	1.8
281.22705	4.9
283.20462	4.8
285.22131	6.4
287.23633	5.2
291.21066	2.3
293.22717	2.1
295.20963	3.0
295.24261	10.8
297.22272	5.7
297.25711	44.4
299.23700	4.2
309.22107	2.9
309.25485	2.4
311.23666	7.8
313.25192	20.7
315.26797	24.2
319.24344	1.5
321.25830	5.9
323.23779	2.0
323.27383	5.1
325.25107	1.8
329.24405	1.8
335.27402	2.2
337.25183	2.1
337.28830	2.0
339.26852	11.0
341.24600	2.1
341.28391	6.1
347.27222	8.5
353.28333	4.4
365.28394	30.0
367.29993	2.0
383.29437	59.4
385.30902	2.1
391.33621	1.7
401.32007	2.7
409.34857	4.2
419.32983	13.1
427.35495	2.3
436.90628	1.6
437.34134	38.4
455.35181	100.0
456.35867	1.7
456.44083	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	455.3523
Annotation	Melilotigenin B
Peak:m/z	Relative Intensity
50.07266	1.7
53.03939	2.8
55.05513	15.6
57.03432	2.3
57.07066	7.7
57.65978	1.8
57.81908	1.5
59.05003	1.8
60.16144	1.8
67.05508	16.3
69.07078	19.4
69.17771	16.6
71.05012	2.2
71.08646	2.5
71.91809	1.6
76.22423	1.8
76.59839	1.6
78.27866	1.6
79.05481	12.9
81.07062	26.3
81.16864	1.8
82.92872	1.7
83.04958	4.8
83.08627	9.7
85.06507	2.4
85.10212	2.3
85.31642	1.6
91.05482	38.4
93.07047	25.3
93.74094	1.6
95.04956	2.9
95.08059	2.8
95.08615	46.0
97.06538	4.0
97.10165	4.4
99.08096	2.2
105.07030	36.4
107.08603	47.4
109.06544	2.4
109.10165	23.6
111.08081	3.0
117.07040	9.3
119.08588	85.6
121.06477	3.1
121.10142	38.7
123.08059	5.7
123.11744	9.7
125.09629	7.5
128.06235	3.5
129.07001	6.2
130.07726	1.8
131.08582	23.6
133.10141	52.3
135.07985	1.9
135.11697	31.7
137.09618	3.4
137.13277	3.2
139.11186	3.8
142.07799	9.1
143.08569	19.0
144.09421	1.9
145.09055	2.7
145.10136	41.1
147.11696	32.3
149.09607	3.2
149.13275	9.2
152.73625	1.9
155.08525	4.3
156.09299	3.4
157.10138	38.3
159.11729	25.2
161.09604	7.6
161.13251	15.8
163.11182	2.1
163.14861	5.7
169.10138	5.3
170.10802	2.8
171.11696	18.7
173.13289	17.0
175.11179	10.2
175.14822	15.0
177.16359	9.6
179.14265	1.6
181.10138	2.4
183.11699	4.3
185.13278	11.8
187.11261	2.1
187.14857	17.4
189.12791	2.4
189.16389	34.2
191.14256	3.6
191.17926	6.3
193.15852	4.5
197.13243	7.9
199.14841	33.0
201.16391	22.1
203.14401	4.9
203.17987	12.2
205.15871	7.0
207.11688	2.8
207.17488	10.6
209.13245	2.1
211.14836	5.8
212.15570	2.3
213.16435	12.8
215.18005	16.0
217.15897	60.3
217.19246	2.5
219.17374	7.1
223.14857	4.2
225.16385	4.2
227.17941	6.2
229.15894	9.6
229.19487	3.7
231.17476	19.6
233.18993	5.5
237.16437	3.4
239.17973	3.0
241.19391	3.1
253.19594	2.0
255.17917	1.8
255.20952	10.4
265.19489	3.0
269.22681	2.5
271.20651	2.3
281.18924	1.9
283.20599	21.9
285.22049	2.1
297.22336	3.6
297.25729	2.0
311.23413	3.3
367.65793	2.0
391.33603	3.3
401.31995	3.5
409.34729	15.2
419.33035	19.8
427.35666	4.7
437.34149	72.7
455.35196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3524
Annotation	3beta-Hydroxylanosta-7,9(11),24-trien-21-oic acid
Peak:m/z	Relative Intensity
55.05505	21.4
57.07069	13.9
59.04984	7.2
60.95448	5.8
67.05514	41.0
69.03437	7.6
69.07069	51.5
69.69530	18.8
69.69949	19.4
71.63136	6.2
72.04517	14.6
79.05492	22.4
81.07050	61.7
83.04993	11.0
83.08611	21.9
83.65572	5.9
88.02225	9.6
91.05487	41.8
93.07036	56.2
95.08609	100.0
97.10191	7.2
98.20755	12.7
105.07037	55.3
107.08605	85.5
109.10181	62.6
117.07035	13.6
119.08586	81.8
121.10149	47.1
123.08055	10.5
123.11698	26.3
125.09595	10.1
129.06982	8.1
131.08600	31.4
133.10146	79.7
135.11679	21.1
137.09692	5.9
142.07733	6.4
143.08580	14.8
145.10129	67.2
147.11690	77.7
149.13269	14.9
157.10175	21.4
159.11710	34.5
161.13274	39.7
163.14821	13.0
165.12733	7.3
169.10138	10.2
170.10881	6.8
171.11758	34.8
173.13266	31.1
175.14857	17.4
177.12708	7.3
177.16330	9.3
183.11647	8.0
185.13269	22.6
187.14787	45.3
189.16370	33.4
191.17935	7.8
197.13309	9.1
199.14842	28.9
201.16348	62.9
203.14389	9.9
203.17963	17.5
205.15997	9.0
211.14787	12.4
213.16400	24.0
215.17947	19.4
217.15942	11.5
219.17389	12.8
225.16432	8.7
231.17461	13.0
239.17947	9.4
241.19408	8.6
295.24203	44.6
313.25195	42.2
391.33664	15.3
409.34622	20.4
409.52069	6.6
419.33212	27.2
437.34183	39.8
455.35672	31.6
455.50229	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	455.3524
Annotation	Dymacrin E
Peak:m/z	Relative Intensity
53.03950	2.0
55.05516	9.0
57.07070	3.8
59.04999	1.6
62.06096	1.5
65.03951	1.1
67.05502	13.6
69.03419	2.4
69.07076	8.3
71.08617	1.4
71.19486	2.2
74.34181	1.1
79.05488	5.9
81.07063	16.8
83.04992	32.6
83.08623	5.3
85.02880	1.5
91.05493	7.2
92.98378	1.1
93.07043	15.5
95.04927	1.5
95.08616	24.8
97.06533	3.1
97.10160	2.6
105.03416	1.2
105.07027	14.7
107.08604	18.9
109.06523	1.5
109.10169	21.6
109.10913	1.3
111.08089	2.5
113.06004	1.2
117.07013	4.8
119.08591	21.2
121.06492	1.3
121.10152	13.1
123.08070	6.1
123.11708	8.6
125.09623	3.8
127.11127	1.2
129.07014	1.9
130.07753	1.3
131.08577	9.6
133.10123	14.4
135.11685	11.3
137.09616	2.8
137.13228	1.7
139.11189	2.1
143.08521	5.7
144.09338	2.2
145.10155	14.5
147.08051	2.4
147.11742	8.2
149.09650	2.1
149.13272	3.7
151.11201	1.9
153.12784	1.7
155.08566	2.2
157.10143	9.1
159.11708	33.0
160.12257	1.3
161.09639	2.0
161.13237	11.9
163.11227	1.6
163.14873	2.1
165.12857	1.5
169.10150	3.9
171.11693	8.9
173.13255	19.7
175.11121	1.5
175.14833	4.5
177.12817	1.8
183.11696	4.7
185.13295	8.9
187.14838	10.4
189.12706	2.4
189.16486	3.9
191.17984	1.5
195.11679	1.2
197.13252	4.6
199.14824	6.6
201.12726	2.3
201.16425	5.2
203.14284	2.5
203.18011	1.2
205.15868	2.0
209.13271	3.1
209.81790	1.0
211.14818	3.7
213.16414	5.3
215.14262	2.0
215.17958	3.2
217.15881	2.2
219.17503	2.6
223.14787	3.9
223.44276	1.0
225.16408	7.5
227.17931	5.3
229.16048	1.6
229.19521	2.3
231.17502	1.6
237.16496	1.7
239.17902	1.9
241.19626	2.6
251.17955	2.3
253.19516	3.1
255.21046	2.0
257.19040	3.1
267.21106	2.1
269.12384	1.7
269.19009	3.3
271.20728	2.4
285.22189	3.3
293.22696	4.4
295.24100	2.9
309.22147	1.5
311.23700	100.0
312.24164	1.9
313.24921	2.4
314.27948	6.3
341.28235	1.4
381.27908	2.1
390.69632	1.2
419.33197	9.6
433.85812	1.3
437.34033	21.2
455.35165	81.5
456.35513	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	CHEBI:69004
Peak:m/z	Relative Intensity
52.76946	4.2
55.05509	36.5
57.07079	10.5
67.05507	37.7
69.03426	5.6
69.07068	82.8
69.98872	17.9
71.04989	7.7
73.06582	6.1
79.05502	20.9
80.55699	4.4
81.07055	55.0
83.04984	100.0
83.08621	24.4
85.06564	9.5
91.05482	22.1
93.07048	45.1
95.08607	77.1
97.06514	17.4
97.10157	16.3
98.20728	6.4
99.08101	25.1
105.07030	40.6
107.08605	75.4
109.06522	8.8
109.09467	6.0
109.10160	72.4
111.08072	9.4
117.07017	12.5
119.08572	60.0
121.10143	70.1
123.08082	15.3
123.11711	44.4
125.09621	35.0
127.07560	4.3
127.11195	10.7
131.08560	25.0
133.10123	57.0
135.11699	30.8
137.09583	8.6
137.13225	12.0
139.11157	9.8
141.09178	4.6
142.07861	4.2
143.08565	18.1
143.10616	9.3
145.10114	48.7
147.11684	39.6
149.09628	10.9
149.13251	19.4
151.11195	11.9
153.12726	7.1
155.08591	5.8
157.10098	27.8
159.11716	52.7
161.09543	5.6
161.13263	38.8
163.11137	10.4
163.14819	8.5
165.12750	7.4
169.10132	14.7
169.12241	8.4
171.11696	31.1
173.13248	41.4
175.11171	9.3
175.14807	14.4
177.12758	12.2
177.16360	6.6
179.14404	7.0
181.12253	11.2
183.11696	12.2
185.13324	27.8
187.11150	4.3
187.14812	27.6
189.12814	9.5
189.16379	15.9
191.14301	5.1
197.13284	9.2
199.14815	20.5
201.12823	4.9
201.16434	24.1
203.14381	11.9
205.15901	8.5
211.14830	12.5
211.16809	4.9
213.16376	17.8
215.14377	7.0
215.17921	14.1
217.15811	9.8
217.19467	5.5
225.16373	12.4
227.14366	4.7
227.17906	22.0
229.15872	6.8
229.19438	6.8
231.17384	24.8
236.97525	5.2
239.17960	13.1
241.19513	15.0
243.17381	7.6
245.19029	31.2
253.19617	11.7
255.21056	8.6
257.19037	43.9
259.20541	13.2
267.16904	5.7
269.19098	5.3
271.20526	10.3
285.21921	5.8
295.20599	7.4
309.22272	7.4
311.23694	78.8
313.25171	20.4
323.27365	10.9
339.26718	14.0
341.28381	11.7
353.28403	7.5
365.28424	33.8
381.27713	5.7
383.29404	39.4
419.33014	18.1
437.34164	82.6
455.29071	6.0
455.35187	97.7
469.78622	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	455.3524
Annotation	Dymacrin E
Peak:m/z	Relative Intensity
53.03954	1.0
55.05500	4.6
57.07066	3.1
59.04987	1.1
63.39608	0.9
63.68939	0.9
63.78752	0.9
67.05531	7.2
69.07075	6.3
71.19874	2.5
77.61806	0.8
79.05486	4.5
81.07075	11.7
83.04967	1.5
83.08614	3.0
85.38009	1.0
91.05495	6.3
92.38969	1.0
93.07050	8.0
95.08620	15.2
97.06511	1.8
98.55605	1.0
99.08104	1.9
99.32384	1.0
105.07046	11.1
107.08600	10.9
109.06487	1.3
109.10170	12.0
117.07022	3.5
119.08586	15.5
121.10162	9.5
121.88800	1.0
123.08067	2.6
123.11698	5.1
125.09646	3.1
129.07022	1.4
131.08583	9.2
133.10130	10.6
135.11736	5.0
137.13231	1.5
143.08540	2.8
144.09390	1.2
145.10133	10.7
147.11734	7.4
149.09708	1.3
149.13268	1.4
151.11206	1.4
153.12813	2.2
155.08533	1.3
157.10146	6.4
159.11719	25.6
161.09604	1.0
161.13258	5.7
163.14763	1.5
165.12715	1.7
169.10109	3.7
171.11700	6.7
173.13295	13.6
175.11162	1.9
175.14813	1.9
177.12802	1.3
179.14272	1.5
182.10831	1.2
183.11708	3.2
185.13264	4.0
187.14867	8.4
189.12679	1.8
189.16449	1.8
195.11716	1.7
196.12424	1.5
197.13188	1.5
199.14745	4.9
201.12770	2.8
201.16403	2.5
205.15866	2.2
209.13246	1.6
211.14767	1.5
213.16348	3.9
215.14253	1.2
217.15889	2.8
219.17447	1.7
223.14819	2.1
225.16422	6.6
227.14407	1.2
227.17961	1.7
229.15878	2.0
231.17404	1.3
237.16415	2.1
239.17903	1.5
245.18927	1.6
251.17894	2.1
253.19531	2.3
255.17667	1.4
257.19009	1.7
267.21170	1.2
269.19055	2.9
269.22586	1.0
271.20694	2.3
283.20563	2.6
285.22079	3.4
293.22595	4.1
297.22031	1.1
311.23721	100.0
312.23822	1.5
419.33127	11.1
437.34149	17.3
455.35083	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	455.3526
Annotation	3beta-Hydroxylanosta-7,9(11),24-trien-21-oic acid
Peak:m/z	Relative Intensity
50.19529	6.6
55.05515	8.1
59.55640	8.1
67.05495	11.1
69.07066	17.4
71.55669	9.9
79.05497	14.1
81.07070	28.9
83.08633	9.9
88.31190	6.9
91.05437	7.8
93.07045	26.4
95.08620	36.3
105.07030	24.7
107.08597	39.7
109.10162	28.2
112.71461	7.1
115.34238	7.5
119.08571	36.2
120.56505	7.5
121.10159	34.0
123.11698	16.3
131.08577	18.3
133.10109	29.7
135.11681	38.6
137.13254	10.2
143.08556	19.1
145.10101	23.4
147.11687	24.2
149.13298	15.4
152.00168	7.6
157.10179	25.3
159.11696	43.9
161.13278	22.4
171.11676	18.5
173.13327	36.4
175.14890	17.8
175.99680	7.6
183.11717	14.1
185.13274	29.8
187.14839	24.8
189.16431	13.1
197.13232	9.8
199.14810	21.1
211.14932	11.7
213.16418	21.4
215.17961	10.2
225.16411	14.6
227.17906	9.0
239.17757	8.4
241.19626	14.5
243.21208	8.2
281.22772	12.5
295.24243	68.7
296.25165	12.1
313.25290	52.4
419.33020	25.1
437.34161	100.0
455.35156	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	CHEBI:69004
Peak:m/z	Relative Intensity
55.05511	13.1
57.07072	4.8
59.04988	2.2
65.03931	3.2
67.05238	2.2
67.05508	21.4
67.42970	1.9
69.03436	16.5
69.07066	19.4
69.48213	5.0
69.48617	13.6
71.05013	3.1
73.06549	6.4
78.58582	2.3
79.05497	10.6
80.81966	2.1
81.07060	31.4
83.04990	11.2
83.08624	11.2
85.06548	3.9
91.05474	14.7
93.07047	34.2
95.04957	16.5
95.08605	54.9
97.06521	9.0
97.10182	3.5
98.20753	4.1
99.08110	4.0
105.07032	26.4
107.08595	46.0
108.76495	2.1
109.06514	6.8
109.10157	39.2
111.08074	6.2
113.09617	3.4
115.36436	1.9
117.07007	3.4
119.08564	27.4
121.06525	3.1
121.10134	35.4
123.08046	6.6
123.11687	14.2
125.09661	4.7
129.07030	3.9
131.08551	22.5
133.10124	28.0
135.08067	4.4
135.11703	24.0
137.13245	3.8
141.09090	7.9
142.07759	2.6
143.08595	11.9
145.10133	30.7
147.11684	18.3
149.09619	8.1
149.13202	10.6
151.08353	1.9
151.11235	4.1
151.35153	2.1
153.12730	2.5
155.08580	3.7
157.10136	14.4
158.10870	2.2
159.11702	31.1
161.09642	4.9
161.13240	28.3
163.14809	7.1
165.12732	2.1
167.10678	6.7
169.10107	6.8
171.11690	14.5
173.13258	26.4
175.14816	14.6
179.14326	3.6
179.89835	2.1
181.10109	3.6
182.10841	2.8
183.11667	10.4
185.13293	14.4
187.14833	23.4
189.16420	9.0
191.14359	2.4
191.17990	4.1
195.11679	3.7
195.13989	2.0
197.13220	10.5
199.14844	9.7
200.15636	2.4
201.16399	9.2
203.17957	2.3
205.15923	2.5
209.13283	5.2
211.14856	8.7
213.16393	11.7
215.14357	2.8
215.17967	14.1
217.15906	3.0
221.13159	3.3
223.14816	4.4
225.16341	7.9
227.17799	11.7
229.15929	4.2
229.19539	17.2
231.17529	2.5
235.15057	2.4
237.16385	3.6
239.17886	6.1
241.19518	8.8
243.21094	12.5
247.20512	4.5
251.18097	2.8
253.19650	5.7
255.21065	4.6
257.18970	2.3
263.17834	2.3
265.19510	4.4
267.21149	8.6
269.22659	7.0
279.21161	3.9
281.22705	3.0
283.20557	5.7
285.22147	4.8
287.23746	8.2
291.21265	3.0
293.22556	3.1
295.24200	8.9
297.22302	5.4
297.25806	24.8
301.21848	2.9
311.23694	5.6
312.26215	2.8
313.25192	11.9
315.26837	14.2
319.24164	3.0
321.25714	5.3
323.27164	2.6
339.26862	11.1
340.63373	2.3
341.28281	3.2
347.27420	2.3
349.25293	2.4
365.28345	16.7
381.27936	2.6
383.29398	25.9
419.33063	15.3
437.34180	46.7
455.35199	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06742	2.0
53.03946	3.8
55.01874	8.7
55.05513	25.9
57.03440	10.7
57.07087	12.6
59.05003	2.9
60.90422	1.9
61.02916	7.3
67.05507	35.8
69.03435	18.5
69.07076	44.2
71.01370	3.1
71.04995	5.5
71.08638	4.2
71.55135	2.8
73.02925	12.2
79.05499	24.1
81.03436	13.9
81.03835	2.8
81.07066	85.2
82.06590	3.3
83.04987	8.1
83.08625	23.5
84.04474	2.0
85.02916	66.1
85.03433	3.9
85.06542	16.0
91.03967	2.3
91.05484	20.9
93.07053	31.5
95.04975	10.9
95.08615	100.0
97.02911	20.3
97.06534	10.6
97.10176	13.6
99.04442	5.3
99.08095	6.7
100.07610	4.6
103.03931	3.8
104.79983	1.8
105.07042	28.3
107.04941	4.9
107.08601	38.9
109.02878	7.4
109.06566	10.3
109.10165	71.0
111.04465	7.7
111.08089	19.6
111.11743	11.5
115.03935	7.9
115.05428	3.4
117.07017	8.3
119.08593	25.0
121.06523	5.9
121.10152	27.0
123.04447	3.2
123.08086	8.4
123.11720	34.9
125.02375	2.0
125.09629	7.4
125.13293	6.6
127.03918	17.1
128.06163	2.4
129.05473	6.7
129.07019	3.6
131.08604	12.9
133.05013	12.2
133.06532	4.0
133.10141	14.2
135.08060	12.4
135.11707	14.4
137.05942	3.3
137.09650	6.2
137.13269	28.1
139.07533	2.6
139.11229	2.4
141.07019	2.5
142.07811	2.1
143.08575	6.3
145.04933	10.1
145.10130	14.1
146.08119	5.7
147.08058	7.8
147.11696	13.2
149.09641	4.5
149.12221	2.2
149.13261	15.5
151.07574	3.0
151.14862	6.0
153.09109	7.2
155.08585	4.4
157.10112	6.4
159.08067	4.3
159.11678	10.3
161.09596	6.2
161.13274	7.4
163.06023	5.2
163.11177	3.4
163.14847	8.3
165.09100	9.2
165.12798	2.0
165.16423	3.7
167.08521	2.9
167.10750	2.3
169.10147	3.6
171.08063	2.1
171.11708	8.1
173.09644	4.3
173.13271	6.0
175.11201	3.3
175.14828	4.6
177.09143	2.8
177.16426	8.1
179.10670	2.6
183.10252	3.5
183.11751	3.8
185.09627	2.2
185.13216	5.8
187.11118	3.3
187.14740	2.2
189.09085	3.5
189.12738	8.9
189.16370	3.5
191.10706	2.1
191.18030	2.9
193.10214	2.9
193.12184	2.8
193.19612	2.3
197.13290	2.1
199.11243	2.5
199.14873	2.3
203.17981	2.9
205.12370	2.2
205.19629	2.3
207.10150	2.2
207.11977	3.0
207.13716	10.7
209.11748	3.0
219.21126	2.4
223.14920	2.1
227.12805	3.1
275.20139	4.7
275.27426	3.3
287.27002	2.0
291.26855	6.7
293.28299	2.8
299.27231	2.1
303.26901	6.2
305.28409	6.4
317.28433	4.3
329.28445	2.2
333.28207	2.4
347.29431	2.4
359.29279	2.0
371.29480	3.7
383.29489	6.0
389.30634	2.3
401.30640	11.8
409.19501	3.1
419.31470	12.5
437.18988	4.0
437.32666	5.9
455.20596	19.5
455.33386	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	455.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01871	1.9
55.05519	4.9
57.07079	1.5
59.04995	1.4
65.03933	1.5
67.05167	1.4
67.05508	17.5
68.33707	0.8
69.03426	1.4
69.07059	5.8
71.04994	2.3
71.55433	1.5
73.06541	1.1
74.36673	0.9
77.17068	1.2
79.05499	28.4
81.03423	2.0
81.07063	96.5
83.04984	3.4
83.08637	3.4
85.06555	6.1
91.05485	19.6
93.07056	18.1
95.05002	4.3
95.08607	14.1
97.06541	4.2
97.10190	1.1
99.08099	4.5
103.05490	1.5
105.03432	1.2
105.07040	20.3
107.04965	1.9
107.08603	25.2
109.06528	45.3
109.10169	11.2
110.06926	0.8
111.08089	2.3
113.09637	0.9
115.05489	0.9
116.06239	1.0
117.07016	7.6
119.08591	33.2
121.06499	3.3
121.10159	11.0
123.08075	11.5
123.11688	4.7
125.05984	1.2
125.09615	5.0
128.06216	2.2
129.07007	7.2
131.04933	1.0
131.08583	12.6
133.06551	2.1
133.10135	16.9
135.04430	2.0
135.08067	11.7
135.10330	0.9
135.11703	4.4
137.09624	6.9
137.13167	0.9
139.11150	1.2
141.06996	2.0
142.07816	5.8
143.08580	14.7
144.09279	2.2
145.06502	1.0
145.10136	16.7
147.08055	8.4
147.11684	10.5
149.09636	17.6
149.13254	2.0
151.11212	2.8
155.08565	5.1
156.09358	3.8
157.10132	26.1
158.10924	0.9
159.08107	1.9
159.11703	26.9
161.09586	6.1
161.13297	8.1
163.07550	1.8
163.11172	4.7
165.06973	1.0
165.12781	2.7
167.08611	1.3
168.09393	1.2
169.10126	7.7
170.10957	4.4
171.08124	0.8
171.11708	15.6
173.09622	3.1
173.13268	8.5
175.11208	6.0
175.14798	2.0
177.09108	0.9
177.12794	2.6
179.08559	2.0
179.10701	1.4
179.14313	1.2
181.10201	2.6
182.10922	1.4
183.11707	13.2
184.12517	2.2
185.09616	1.6
185.13275	18.5
185.77385	1.1
187.11189	4.4
187.14813	11.7
189.12791	4.8
189.16405	2.1
191.10783	1.0
191.14351	2.7
193.10341	2.0
193.12257	7.4
194.11014	1.2
195.11777	4.3
196.12495	1.9
197.09624	1.4
197.13293	8.5
198.13733	1.0
199.11230	4.3
199.14845	4.8
201.12759	15.9
201.16345	4.0
203.10638	1.6
203.14314	11.0
205.15968	1.6
206.10826	1.5
207.11736	2.3
209.13232	4.6
210.13921	1.2
211.11211	1.6
211.14757	7.1
212.15623	1.1
213.12746	4.0
213.16379	2.9
215.14359	4.7
217.15886	2.5
219.13823	3.4
221.13287	3.7
223.14836	2.8
225.12733	3.4
225.16432	8.1
226.17189	5.5
227.14372	2.4
227.17960	70.7
228.18259	0.9
229.15884	5.7
231.17491	2.2
233.13249	1.2
235.14842	2.0
236.15468	1.3
237.16425	1.9
239.14328	2.2
240.43205	0.9
241.15941	2.4
241.19411	1.0
243.13797	1.6
243.17503	8.1
244.18245	3.7
245.15417	1.9
245.19029	23.5
249.16440	1.7
251.14183	1.0
251.18015	3.1
253.15948	1.7
255.17404	1.2
257.15424	1.0
257.19196	1.3
259.17090	0.9
263.17670	1.3
265.15903	1.4
265.19293	1.2
267.17395	1.5
269.19037	16.8
279.17389	1.5
279.21069	0.9
285.18561	3.0
287.20087	41.2
288.20731	1.9
291.19104	4.8
293.18765	1.5
297.22110	2.3
299.20038	0.9
307.20703	2.6
309.18665	1.6
309.22168	3.9
315.23199	2.3
325.21555	1.3
333.22012	1.6
335.23636	9.3
339.26971	1.2
349.25360	2.0
351.23190	11.0
353.24829	7.5
359.23792	2.6
377.24799	12.5
395.25858	18.0
425.26788	1.2
437.21899	1.3
437.26941	3.2
437.33856	1.2
455.23535	13.7
455.28760	100.0
456.28287	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	455.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01857	3.8
55.05511	11.9
57.03422	3.8
57.07072	2.7
59.04992	3.9
61.02919	4.0
67.05515	18.0
69.03427	23.8
69.07072	14.0
69.35677	21.3
71.04976	9.9
79.05484	18.5
81.03403	10.5
81.07059	28.6
83.04972	10.4
83.08603	7.2
85.02895	11.4
85.06528	11.0
87.04457	8.6
88.66463	2.1
91.04967	2.8
91.05473	26.7
93.07042	30.7
95.04980	12.7
95.08619	22.7
97.02862	6.3
97.06506	5.5
97.10133	2.5
97.19242	2.3
99.04443	8.7
103.05460	4.1
105.07035	37.5
107.04993	3.4
107.08606	23.0
109.02882	5.8
109.06517	17.6
109.10147	11.7
111.08066	10.1
113.06035	5.3
113.09659	4.0
117.07051	12.8
119.04945	3.9
119.08585	36.6
121.06487	7.8
121.10126	16.3
123.08054	7.2
123.11690	3.7
125.09634	2.8
127.03912	7.8
127.07565	4.0
128.06215	6.0
129.07013	10.1
130.07669	3.6
131.08580	25.9
133.06508	5.8
133.10139	19.8
135.08057	11.9
135.11664	6.8
137.05988	4.2
137.09592	8.6
141.06996	5.3
142.07756	9.3
143.08559	23.3
145.06473	4.8
145.10104	27.2
146.55650	2.7
147.08017	9.6
147.11673	9.3
149.06010	3.8
149.09584	8.4
153.07002	2.9
155.07162	3.4
155.08571	11.2
156.09291	3.9
157.10136	31.8
159.08023	5.6
159.11679	19.2
161.09602	8.9
161.13164	3.6
163.07501	4.4
163.11143	8.7
165.06924	4.4
165.09117	9.0
166.07755	2.9
167.08533	7.1
168.09322	4.6
169.10168	22.1
170.10774	3.9
171.08049	5.1
171.11676	16.9
173.09621	10.1
173.13210	11.5
174.09119	3.4
175.11224	5.6
177.09126	4.9
177.10973	3.0
179.08539	8.5
179.10693	4.0
180.09312	7.7
181.10101	17.5
182.11028	2.6
183.11705	26.2
185.09605	5.0
185.13242	8.3
187.11197	7.4
187.14801	2.6
189.09097	5.5
189.12785	7.4
191.08578	5.0
191.10696	6.3
192.09341	5.8
193.10176	18.8
194.11021	4.7
195.08067	4.2
195.11679	19.9
196.12459	6.6
197.09668	5.6
197.11632	2.8
197.13240	13.3
199.11166	8.5
199.14803	3.4
201.12662	6.1
203.08643	3.0
204.09364	2.5
205.10168	8.0
206.10890	8.4
207.10155	3.8
207.11755	20.6
208.12454	6.7
209.09589	4.5
209.11554	3.9
209.13287	18.5
211.11145	6.4
211.14899	7.7
213.12775	6.3
215.10724	5.0
215.14365	3.7
217.10173	5.9
217.12164	3.9
217.15860	4.0
218.10947	4.2
219.11821	15.5
220.12437	10.0
221.13364	20.2
222.14008	5.6
223.11235	4.6
223.14771	14.0
225.12633	4.1
225.16437	3.0
227.10582	4.9
229.12288	7.8
230.10754	4.5
231.11687	10.7
232.12506	7.3
233.13382	18.8
234.13956	4.9
235.11115	4.1
235.14867	22.2
237.12817	6.0
237.16335	7.8
239.10591	3.4
243.11397	3.8
243.13802	4.5
244.12445	3.9
245.13335	12.0
246.13998	6.0
247.14874	18.5
248.15567	4.7
249.12769	4.5
249.16402	11.0
251.14258	5.4
253.12216	4.7
255.13747	3.9
257.13339	4.8
257.19028	7.4
259.14813	10.9
260.15594	3.4
261.12714	7.0
261.16296	11.2
263.14261	9.4
263.17856	9.3
265.15833	3.3
267.09109	3.0
267.13837	4.3
269.12234	3.7
273.16443	3.2
275.17535	3.0
275.20245	19.9
277.15778	5.4
279.13791	7.1
279.17331	4.9
281.15320	7.3
287.17950	7.3
289.19437	4.0
291.13989	3.3
292.15189	2.9
293.15512	10.2
293.21225	3.6
295.17090	3.5
303.17261	6.5
305.15366	3.2
305.18854	3.8
307.16922	6.5
319.17059	3.6
321.15155	2.7
321.18359	14.8
322.19269	3.4
323.19971	17.6
325.21579	3.1
331.20474	4.4
333.18570	4.4
337.18076	4.7
339.19513	4.3
341.20947	3.3
347.20071	7.1
349.17828	4.3
349.21747	4.1
351.19583	3.7
365.21402	3.6
369.15384	7.9
373.21518	10.6
377.21161	10.0
379.19168	3.1
391.22717	26.8
395.18076	7.2
395.22208	10.3
397.20126	3.6
401.21088	7.3
409.23798	14.5
419.22073	17.8
425.23013	5.7
437.23486	47.2
455.24731	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.6
53.03934	1.0
55.01624	0.8
55.01876	12.2
55.05498	2.1
56.14824	0.5
56.95632	0.4
57.03426	0.6
57.07098	0.5
57.51763	0.5
59.04997	0.5
59.79410	0.5
59.92567	0.5
63.85651	0.5
65.03943	1.7
67.05508	7.5
69.03435	5.8
69.07056	2.1
69.25994	4.0
71.04981	1.7
77.03926	0.8
78.31672	0.5
79.05499	8.3
81.02985	0.7
81.03423	9.2
81.07063	6.3
83.04972	2.3
83.08624	0.8
85.06542	0.9
91.05482	22.6
93.07050	9.9
95.01321	1.3
95.04972	11.1
95.07227	0.5
95.08607	5.8
97.06522	2.6
103.05457	2.6
105.04510	0.8
105.07037	16.6
107.04950	5.3
107.08606	9.3
109.06544	5.4
109.10143	3.6
111.04488	0.6
111.08067	0.8
115.05445	8.3
115.07594	1.3
116.06240	2.8
117.07020	12.9
119.04936	1.4
119.08587	24.9
121.06507	5.4
121.10152	5.5
123.08079	2.4
125.15627	0.5
128.06198	4.8
129.07008	15.5
130.07784	2.3
131.04945	2.6
131.08572	18.8
132.05653	0.8
133.06491	4.2
133.10136	15.2
134.07233	0.6
135.08061	5.5
135.11682	1.8
137.09572	2.5
141.07001	3.0
142.07774	5.4
143.08565	13.8
144.05728	2.3
144.09358	1.6
145.06490	12.4
145.10133	15.3
146.07281	0.8
147.08051	55.1
147.11687	3.3
149.06078	0.5
149.09621	8.7
151.07507	0.8
151.11208	0.7
153.07018	2.1
154.07773	1.5
155.06023	1.0
155.08565	6.0
156.09344	7.0
157.06528	1.7
157.10135	19.3
158.07243	2.8
158.10765	0.7
159.08058	44.1
159.11674	10.0
160.08598	0.8
161.05994	1.5
161.09628	34.0
161.13272	2.0
163.07547	47.4
163.11165	2.8
165.07008	2.3
165.09125	1.9
166.07845	1.5
167.08588	2.2
167.10721	2.2
168.09296	0.8
169.10132	7.8
170.10887	4.7
171.08055	6.5
171.11700	23.2
172.08833	1.6
172.12178	0.6
173.05971	2.5
173.09630	18.8
173.12033	0.7
173.13199	4.3
174.10330	0.8
175.07582	3.8
175.11162	4.1
175.14720	0.8
177.09158	1.2
179.08545	2.1
179.10580	2.6
180.09340	1.1
181.08661	1.1
181.10144	4.3
182.07306	1.6
182.10904	1.0
183.08081	2.2
183.10178	0.5
183.11685	10.7
184.08879	1.8
185.09653	8.2
185.13266	21.1
186.10431	0.8
186.19008	0.5
187.07581	2.4
187.11186	8.0
187.14754	1.2
189.09097	3.9
189.12743	2.2
191.08766	0.7
191.10693	2.7
192.09375	1.2
193.10161	3.9
193.12065	1.2
194.10925	1.2
195.08066	1.2
195.11711	4.0
195.13559	0.8
196.08897	1.1
196.12465	0.8
197.09636	7.2
197.13260	3.9
198.10353	2.7
199.07552	0.9
199.11185	17.8
200.11905	1.2
201.09105	4.7
201.12761	5.5
203.08838	0.8
203.10677	2.9
203.14360	1.7
205.10210	1.4
205.12300	2.8
206.10983	1.7
207.08333	0.6
207.10077	0.5
207.11728	3.6
207.13635	1.2
208.08888	0.6
208.12514	0.6
209.09697	3.4
209.13379	2.5
210.10378	0.9
211.11159	4.5
211.14870	0.7
212.08385	0.7
213.09480	1.0
213.12750	17.7
215.10690	4.1
215.14323	2.6
217.10187	1.2
217.12183	5.6
218.10857	1.1
219.08066	1.3
219.09984	1.0
219.11765	1.3
219.13863	1.8
220.08882	0.5
220.12454	2.2
221.09793	1.1
221.13345	4.0
221.15285	0.9
222.10497	1.0
223.11255	4.0
223.14879	1.8
224.08376	0.5
224.11900	0.7
225.09200	0.7
225.12755	3.2
225.16408	1.0
227.10693	2.5
227.14236	0.8
229.10214	0.9
229.12259	4.6
230.10918	0.6
231.08194	0.6
231.10132	1.8
231.11772	1.6
231.13739	6.5
232.12502	1.4
233.09636	1.1
233.11520	1.3
233.13330	1.9
233.15437	1.6
234.14018	1.3
235.11275	2.6
235.14886	1.9
236.11919	0.8
237.12752	4.0
237.16425	0.9
239.10750	1.6
239.14305	1.7
241.12222	3.5
243.11737	1.2
243.13867	1.8
244.12401	1.3
245.09624	1.3
245.11610	1.1
245.13525	0.8
245.15431	4.9
246.10405	1.0
246.14023	0.6
247.11177	1.8
247.15051	1.2
248.11913	1.5
249.12718	2.9
249.16687	0.9
250.13551	0.8
251.10593	0.6
251.14352	3.2
252.15317	0.7
253.12288	1.2
255.13870	1.2
257.13333	0.8
258.14102	1.3
259.11008	1.1
259.13187	10.4
260.12085	1.4
261.12646	1.9
261.14963	2.2
263.14264	2.1
263.16513	1.9
265.12173	0.8
265.15817	0.8
267.13895	1.4
269.13196	1.1
269.15717	0.7
271.11041	0.8
271.15057	1.0
272.11929	0.7
273.12607	1.0
273.14899	6.5
275.14264	2.6
276.14972	0.8
277.12051	1.0
277.15860	1.8
279.13791	2.2
281.15414	1.6
283.14615	0.8
285.12796	1.9
285.16583	0.6
286.13553	1.2
287.14343	2.2
288.15198	0.7
289.15582	1.7
291.15970	7.7
293.15421	1.5
297.12735	1.0
298.13495	1.1
299.14322	2.3
299.17773	0.7
300.15109	1.1
301.15866	2.7
302.16782	0.7
303.14011	0.7
303.17432	1.4
305.14874	0.8
307.15884	1.0
309.17026	1.0
311.13910	0.8
311.16760	0.8
312.15082	0.9
313.15903	1.5
314.16684	0.9
315.17273	4.7
316.18204	0.9
317.15607	1.2
317.19064	4.0
319.17032	1.3
322.57605	0.6
323.16394	0.7
325.17981	1.1
327.17389	3.9
329.15588	1.0
329.19073	2.3
331.20560	2.0
333.18350	2.5
335.16461	1.3
335.20099	0.7
341.18961	3.0
345.18503	5.5
347.20227	1.2
349.17963	1.0
351.19800	1.0
357.18393	1.1
359.20200	4.3
361.18051	0.9
363.19418	2.6
367.19269	1.0
369.18430	1.6
375.19312	2.9
377.21396	2.7
379.18948	1.4
381.20782	0.7
387.19467	5.0
389.21057	3.5
391.22672	4.4
393.20667	1.9
395.22150	1.0
401.21326	2.6
405.20703	6.5
407.22189	3.8
409.23749	1.6
411.21756	2.1
419.22226	12.3
423.21680	10.4
424.21909	0.7
425.23288	0.7
437.23227	20.1
455.24310	100.0
456.24716	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	455.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92793	0.5
70.36360	1.6
92.70238	0.5
111.56356	0.5
112.89624	1.7
212.65138	0.6
245.22403	0.6
248.89566	0.8
250.89551	1.4
378.95822	0.6
419.51678	0.6
455.11667	100.0
456.11981	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.4
57.87262	0.5
66.91397	0.5
69.03436	1.0
69.07059	1.1
70.31427	1.2
70.31821	1.8
71.04990	0.6
79.05504	1.2
81.03162	0.9
81.03434	0.6
81.07069	1.4
83.05002	0.7
83.08633	0.6
84.04491	0.7
85.02901	2.0
91.05473	2.3
93.07024	2.8
95.04973	1.3
95.08598	1.4
97.02840	0.6
97.06484	0.8
99.04442	0.8
105.07033	1.5
107.04971	0.7
107.08578	1.3
107.92680	0.6
109.10150	1.3
117.07002	0.6
119.08582	2.1
121.06453	0.8
121.10145	2.5
122.83628	0.6
127.03802	2.4
129.06978	0.6
131.08563	1.1
133.06483	1.7
135.08096	1.0
143.08481	1.0
145.10120	0.9
147.07997	0.8
147.11693	0.8
149.09669	0.7
157.10103	0.8
159.11749	0.6
165.12749	1.0
169.06580	0.6
171.11740	1.1
175.07570	0.6
185.09589	0.7
189.09140	0.9
189.12753	1.0
199.11145	1.1
207.13742	0.8
227.10590	1.5
228.11514	1.1
229.93854	0.6
281.67065	0.6
293.13654	1.3
309.13077	6.0
351.14105	5.3
369.15210	64.8
437.18518	3.0
455.18887	100.0
456.19135	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.4
55.05500	6.5
57.07081	40.8
62.82169	1.7
65.31306	1.4
67.05495	5.9
69.03426	1.7
69.07056	7.5
70.92403	1.3
71.08641	24.4
71.55312	1.6
73.06566	7.0
79.05473	3.9
80.75880	1.5
81.07063	9.7
82.07365	2.1
83.04970	3.3
83.08617	4.4
85.10184	19.8
87.04465	1.5
89.06037	100.0
91.05486	3.5
93.07067	7.8
95.04964	3.0
95.08626	10.0
96.08926	2.4
97.02889	1.8
97.06511	1.8
97.10156	4.1
99.11752	2.7
105.07015	5.5
107.07064	2.1
107.08616	7.1
108.08904	2.5
109.10172	8.5
110.10519	2.1
111.11713	1.6
113.13280	2.4
113.20507	1.3
117.09132	2.7
119.08590	7.7
120.08925	2.2
121.10122	6.5
122.10433	2.6
123.08098	3.6
123.11739	3.2
124.12078	1.8
130.08630	2.7
131.08548	3.1
133.07646	2.8
133.08617	45.8
133.10172	6.4
134.10445	2.8
135.11679	6.4
136.11998	2.8
143.08585	2.1
145.10123	4.2
147.11667	2.5
149.13211	1.9
155.08521	1.7
155.17996	2.9
157.10112	6.0
158.10493	2.1
159.11702	5.0
160.12012	5.0
160.24083	1.7
161.13240	3.1
169.10121	2.0
171.11659	3.0
172.12062	2.4
173.13176	3.1
175.14842	2.4
177.11249	21.7
183.11591	2.0
184.12155	2.3
185.13205	1.8
187.14775	3.4
189.16359	2.3
195.12250	2.8
197.13313	3.6
199.14848	2.6
199.20549	2.7
200.15106	2.2
201.16345	2.3
209.13092	1.8
210.13509	1.7
221.13739	2.2
223.15041	1.8
224.15164	1.9
226.16675	1.6
239.14940	2.2
239.17522	1.5
243.23276	10.1
254.19891	1.6
283.17560	23.8
287.25784	3.7
293.22760	1.8
294.23010	5.7
311.23648	4.3
312.24136	8.2
330.80551	1.5
333.66345	1.5
340.27264	5.7
382.27957	2.0
393.31949	2.3
408.33264	2.2
418.32303	1.8
436.32889	12.3
437.34708	29.3
454.27740	3.0
454.33917	41.0
465.73605	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01873	0.6
55.05507	0.6
56.70226	0.3
56.96571	3.3
57.03442	2.3
59.05011	0.3
59.72525	0.2
59.85231	0.3
61.02933	2.9
67.05501	0.6
69.03432	8.1
69.07060	1.8
70.03780	0.3
70.06582	1.0
70.98116	0.2
71.05000	1.4
73.02921	1.9
73.06560	1.2
73.84215	0.3
79.05496	0.6
81.03417	3.0
81.07062	0.7
83.01333	0.4
83.05008	0.4
84.04498	0.4
84.96040	1.0
85.02910	21.2
86.03244	1.2
86.06068	0.6
86.09709	100.0
87.04475	1.6
87.10032	0.7
91.03941	1.3
91.05470	0.3
95.04994	0.6
95.41007	0.3
97.02895	8.1
97.06530	2.9
98.03240	0.6
98.06064	0.8
98.97589	8.0
99.04462	1.3
99.05623	0.3
99.08115	0.4
101.00845	0.4
103.03934	1.7
105.03407	0.9
109.02892	2.3
110.97575	2.3
111.04410	0.4
112.99142	1.0
114.09185	0.4
115.00707	0.4
115.07574	0.9
116.07094	0.7
116.98628	3.3
117.03371	0.5
119.01907	0.7
119.04957	0.7
123.04450	0.3
124.99136	0.8
125.06001	6.4
125.06955	0.4
127.00734	0.5
127.03925	4.3
128.02332	0.3
128.04221	0.3
128.98618	2.0
130.04880	0.3
131.00136	0.5
131.01883	0.5
132.06592	1.1
132.10211	85.2
133.10573	0.3
134.04428	0.4
134.99606	0.5
137.01947	0.3
139.00761	0.6
141.02171	0.3
143.00220	1.9
143.01927	0.6
143.07045	1.7
144.02003	0.3
145.01718	0.7
145.02689	0.5
145.04968	5.3
145.06123	0.4
146.05292	0.3
146.08029	0.4
146.98601	0.3
146.99658	1.1
147.04396	1.5
148.05006	0.3
149.01173	0.4
149.05986	0.4
152.98627	0.3
154.03783	0.4
155.01930	0.7
155.04637	0.4
157.01741	0.6
157.03484	0.6
158.99652	2.2
159.03316	0.4
159.04860	0.6
160.03877	0.7
160.06570	0.8
161.01241	1.9
161.02963	1.1
161.08102	9.8
162.01424	0.4
163.02728	0.4
163.03983	0.5
165.00664	0.4
168.05464	1.3
169.01788	0.3
169.04416	0.9
170.05148	0.5
170.99687	1.0
171.05051	0.4
172.97641	0.3
173.01251	0.4
173.02998	0.9
175.02765	0.8
177.00743	1.3
177.04198	0.4
177.05554	0.8
179.02213	0.3
181.04475	1.0
182.99670	0.3
185.01208	1.0
185.02893	0.6
187.02824	0.7
187.04558	1.3
188.04778	0.4
189.00694	1.2
189.04332	0.6
190.04970	1.9
190.55157	0.5
191.02296	0.4
191.03842	0.3
198.06822	0.3
199.02853	0.6
201.00761	1.0
201.04276	0.3
201.06007	0.5
203.02278	1.5
203.04070	0.7
204.02744	0.4
205.03847	0.6
205.05600	0.4
209.03168	0.3
213.04425	0.4
215.02199	0.4
217.03905	0.4
219.01775	6.3
220.02193	0.4
221.03299	0.3
221.05132	0.8
223.04776	0.4
229.06001	0.4
231.05287	0.6
237.02855	5.3
237.05103	0.4
237.55479	0.4
238.03342	0.4
239.07951	0.3
240.07722	0.8
241.06482	0.6
244.04474	0.4
244.52702	0.3
245.05086	0.9
247.04984	0.5
248.04845	0.5
261.02844	0.7
262.07169	1.5
262.57272	0.8
273.02985	0.3
273.08261	0.4
274.08163	0.3
279.03967	0.7
289.05978	1.8
292.08905	0.3
293.05426	0.6
297.06668	0.5
307.07050	0.6
317.08902	1.6
317.59131	4.0
318.09247	0.9
319.06943	0.7
319.12344	0.7
320.09933	0.5
320.60657	0.4
321.10190	7.0
321.60208	1.0
322.10910	0.8
335.11331	0.4
337.08163	0.9
342.10864	1.3
342.61017	0.4
351.09467	0.4
361.07965	0.8
362.08115	0.7
375.09900	0.5
379.09116	3.4
380.09497	1.3
393.10941	0.4
395.06964	0.5
413.07660	0.5
454.16599	0.9
454.22974	0.3
455.08432	0.8
465.12772	0.7
466.13382	0.4
473.15250	0.4
478.12415	0.4
479.14383	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
55.01876	1.2
55.05514	7.5
56.49809	0.3
59.05000	0.6
65.03954	0.3
67.05508	0.8
69.03445	1.5
69.07070	9.7
69.45446	0.9
69.45879	1.1
71.04988	0.5
73.02911	0.6
79.05495	0.5
79.60861	0.3
81.03416	2.1
81.07040	1.5
81.13430	0.2
82.07425	0.3
83.08621	39.7
84.04510	0.3
84.08999	0.3
85.02905	1.3
87.04507	0.3
87.08076	0.3
91.05476	0.6
93.07047	4.6
95.04964	0.3
95.08632	0.4
97.02900	2.2
97.06527	5.7
99.04450	0.7
100.11262	0.8
101.09637	0.6
106.16197	0.3
107.08591	0.4
109.02882	0.9
109.06515	1.5
109.10123	0.3
110.06873	0.5
111.08083	14.2
112.06100	0.3
114.09190	0.3
119.08609	0.5
121.06499	0.6
127.03922	1.8
129.09122	2.6
139.07542	4.4
141.09068	1.5
142.09467	0.8
143.10680	30.2
145.04945	1.3
145.10144	0.4
147.08075	0.3
153.09126	0.5
157.08612	7.3
169.08604	1.8
170.08946	1.0
171.10170	100.0
171.48033	0.3
172.10510	0.4
175.09647	0.7
189.11221	8.6
210.14932	0.5
301.12900	1.8
315.14297	1.1
329.11212	0.4
333.15430	4.9
410.86996	0.3
436.18149	0.4
453.84332	0.6
454.19641	0.5
454.34271	0.7
455.20377	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01867	4.0
55.05500	5.8
57.03426	4.5
64.22897	1.6
67.05499	3.0
69.03436	9.4
69.07066	5.1
70.06590	2.2
71.04999	6.8
71.54819	2.6
72.08157	2.1
73.02883	1.7
73.06544	1.9
79.05508	3.5
81.03437	7.1
81.07061	66.3
83.04969	2.7
83.08619	3.1
85.02904	15.1
85.06548	2.8
86.09715	1.5
87.00829	4.8
87.04484	3.5
91.05475	1.9
93.07059	4.9
95.04936	2.0
95.08610	4.8
97.02880	7.9
97.06512	2.8
99.04448	3.5
99.08101	100.0
100.07611	1.9
101.06017	2.6
103.03943	1.8
105.01849	3.0
105.07012	2.2
107.08575	4.1
109.02899	7.8
109.06480	2.7
109.10169	6.8
111.04429	7.5
111.08070	2.1
113.09681	2.7
117.09125	10.6
119.08550	2.6
121.06481	2.0
123.11720	1.6
125.05985	2.8
125.09618	2.3
127.03905	11.9
127.11205	2.6
129.05464	2.2
135.03052	3.8
135.08031	2.0
135.11670	3.9
137.06012	1.6
139.03899	2.9
139.11148	1.4
145.04947	4.3
149.05969	5.1
149.09618	1.7
151.11198	1.8
152.05692	65.1
153.04066	5.8
153.09132	3.0
153.11719	1.7
153.12766	11.7
155.14317	1.7
157.04985	5.3
169.12297	1.9
171.10190	3.3
171.13782	12.3
175.06003	3.2
186.02248	3.2
189.07503	2.3
189.14870	28.6
205.12244	4.7
273.12399	1.5
274.10690	6.4
292.11722	3.3
301.09097	8.1
319.10242	2.6
331.63562	1.4
362.18222	6.2
380.19183	2.7
428.58298	1.4
436.22250	13.8
442.12204	1.4
454.23132	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	454.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.3
55.01876	5.1
55.05516	3.0
57.03435	6.0
61.02921	2.8
62.06079	2.5
62.67292	1.6
64.58379	1.5
67.05506	4.2
69.03436	18.0
69.07051	1.9
70.06596	8.1
71.04990	7.0
71.55742	1.9
72.08163	2.0
73.02914	6.6
79.05503	7.4
81.03421	17.0
81.07050	5.0
83.04988	7.8
85.02908	73.4
85.06551	3.5
86.09682	2.1
87.04472	3.3
88.07643	2.3
93.07051	3.7
93.57145	1.7
95.04963	9.4
95.08612	3.3
97.02893	33.4
97.06538	23.3
99.04459	30.3
101.91518	1.8
103.03947	47.2
107.04944	10.6
107.08614	3.3
109.02878	25.1
109.06493	2.7
111.04443	28.4
111.08118	1.9
113.06012	18.0
115.03960	2.1
120.08068	1.8
124.07590	2.0
125.05997	34.7
127.03923	100.0
129.05476	5.6
131.07040	57.0
135.04462	5.0
138.48482	1.6
143.07045	6.6
144.08131	5.1
145.04961	67.9
150.78441	1.6
153.05455	25.4
153.12781	8.2
156.08183	3.9
161.08163	2.2
163.06020	41.9
167.07098	3.1
167.10759	2.2
171.06520	47.2
187.06056	3.4
189.07680	3.5
202.08675	5.0
203.56673	1.7
213.11281	2.2
229.11914	2.8
256.09821	3.4
257.13666	2.4
271.08170	14.7
274.10748	6.8
279.08740	3.8
289.09204	13.6
292.11838	12.8
293.12268	4.2
297.09656	11.5
307.10202	11.7
315.10748	8.0
324.52289	1.8
416.51031	1.6
454.18707	3.6
470.20053	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	454.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01863	4.8
55.05517	1.1
59.05035	0.5
59.32134	0.5
67.05500	1.2
69.03427	3.0
69.07082	1.0
70.80563	1.0
70.80882	0.7
71.05004	0.7
75.56760	0.5
79.05493	2.9
81.03428	5.8
81.07063	7.3
83.04976	3.7
85.02898	4.0
87.04469	0.7
91.05502	1.0
93.07063	2.4
93.91521	0.6
94.23908	0.6
95.04991	0.5
95.08636	0.8
97.02900	4.4
97.06536	47.5
99.04469	1.6
105.07093	0.6
107.08604	2.4
109.02888	8.7
111.04449	54.8
115.03916	0.8
123.04438	1.2
125.05999	76.2
126.06353	0.8
127.03928	6.0
129.05479	1.6
135.04358	0.7
135.11722	3.7
143.05901	0.8
143.07043	14.8
145.04985	2.9
152.05695	0.8
153.05473	55.0
153.12769	3.9
154.05783	0.7
161.08081	0.8
166.26691	0.5
171.06532	100.0
171.13953	1.1
189.07462	0.9
199.05881	0.7
239.12820	4.3
243.08662	0.8
257.13885	0.9
261.07678	1.3
279.08640	4.7
297.09732	12.7
315.10739	13.4
333.11755	3.2
343.25607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03928	2.6
55.05511	15.3
57.07065	4.4
59.04983	2.1
63.07220	1.3
64.96735	1.1
67.05175	1.4
67.05511	21.1
69.03075	1.9
69.03430	24.9
69.07074	15.5
69.22755	2.5
69.23166	9.6
71.04976	4.9
73.06544	2.1
76.23916	1.1
79.05106	1.5
79.05495	12.6
81.03421	2.4
81.07061	33.3
81.80730	1.2
83.04976	5.2
83.08221	1.2
83.08633	12.3
85.06528	3.6
89.06020	5.4
90.06385	1.3
91.05482	16.0
93.07052	33.0
95.04974	25.3
95.08613	43.8
97.06527	9.4
97.10172	4.1
98.21537	2.4
99.08095	6.7
105.07036	24.7
107.04916	2.6
107.07869	1.8
107.08602	34.2
109.06519	4.6
109.10163	30.4
111.08076	7.3
113.09620	1.7
114.32558	1.1
115.05507	1.6
117.07029	8.0
117.72789	1.2
119.08585	33.6
121.06493	2.8
121.10144	32.3
123.08071	12.3
123.11710	18.2
125.09621	6.2
128.06210	2.6
129.07019	4.2
131.08566	18.5
133.08601	3.6
133.10138	31.2
135.08078	3.4
135.11690	12.5
137.09593	6.9
137.13243	2.7
139.07541	3.4
139.11183	4.0
141.07021	1.6
141.09103	3.8
142.07764	3.2
143.08559	13.3
144.09364	4.0
145.10135	24.7
147.08035	2.8
147.11697	20.0
149.09615	7.2
149.13274	8.3
151.11183	7.6
151.55484	1.4
153.12822	1.6
155.08604	5.6
156.09331	2.5
157.10138	18.6
159.11696	39.5
159.83144	1.4
161.09639	3.9
161.13264	21.7
163.11189	3.5
163.14835	4.0
165.12741	3.4
167.08549	1.9
167.10712	2.6
168.09396	2.0
169.10139	11.3
170.10895	2.9
171.11703	19.3
172.12537	1.5
173.13269	24.7
175.11214	4.4
175.14828	8.5
177.12727	7.1
179.08543	1.6
179.14230	1.5
181.10101	3.7
183.11702	14.5
184.12410	1.9
185.13290	16.6
187.11217	2.2
187.14856	16.8
189.12749	5.7
189.16364	7.4
191.14290	3.6
193.10146	1.5
193.12300	1.3
195.11720	6.7
195.13902	1.2
196.12491	2.2
197.13228	10.7
199.11174	2.0
199.14835	13.3
201.12772	4.8
201.16373	7.3
203.14384	6.4
205.15895	3.4
207.11714	1.7
209.13332	7.9
210.13982	1.7
211.14851	11.5
213.12787	1.3
213.16370	11.0
215.14320	2.4
215.17944	4.3
217.15871	3.7
221.13353	2.0
221.15529	1.5
223.14862	6.6
225.16391	16.1
227.14308	2.1
227.17941	16.3
229.15915	4.9
229.19626	1.8
231.17422	9.4
233.13251	1.8
235.14902	2.3
237.16373	6.0
239.15016	6.2
239.17770	6.1
240.15269	2.8
241.15932	2.1
241.19455	4.2
243.17467	4.9
245.19019	12.3
249.16347	2.2
251.18028	5.5
253.15617	1.6
253.19531	3.7
255.17398	2.9
255.21107	2.1
257.19034	13.3
259.20529	8.9
263.18042	2.4
265.19415	6.2
267.17499	1.5
267.21011	4.2
269.19031	4.6
269.23062	1.6
271.20584	6.5
277.19583	2.9
279.21240	1.8
281.19046	4.6
281.22296	1.4
283.20673	9.4
285.22131	9.2
293.19360	2.7
293.22708	7.2
295.20657	5.0
295.24246	8.5
297.22031	6.2
307.20520	2.6
309.22147	9.5
311.23688	69.7
312.24384	4.5
313.25266	28.1
321.22314	2.4
321.25824	2.4
323.23743	3.0
325.25201	1.8
327.23367	1.8
333.25729	1.8
335.23624	2.0
337.25284	15.1
339.26889	9.7
349.25409	2.3
351.26904	7.1
353.24677	1.7
353.28592	3.0
361.25079	1.4
363.26865	17.7
365.28296	1.6
379.26367	1.7
381.27866	49.2
393.31583	1.7
407.33133	6.2
411.32779	1.4
417.31454	13.0
425.33923	2.0
435.32602	38.2
453.33658	100.0
454.33774	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	453.3366
Annotation	Stellettin J
Peak:m/z	Relative Intensity
54.07937	1.0
55.05501	3.4
57.07049	1.0
62.17147	0.9
63.79194	1.1
67.05502	6.1
69.07058	5.9
70.62015	2.1
70.62345	1.0
79.05480	2.8
81.07060	11.3
83.04989	1.7
83.08618	2.4
91.05470	3.9
93.07050	9.5
95.04944	0.9
95.08605	13.3
97.06532	2.5
97.10156	1.4
98.21381	1.2
105.07041	9.2
107.08588	12.6
109.06514	2.2
109.10159	11.4
111.08112	1.4
117.07002	2.9
119.08593	11.8
121.10145	9.4
123.08064	3.8
123.11734	6.3
124.72704	1.0
125.09619	3.3
129.07022	1.5
131.08577	8.4
133.10150	9.9
135.11711	7.8
137.09630	1.3
137.13255	1.9
139.07542	1.2
139.11133	1.5
141.06934	0.9
143.08545	4.5
144.09328	1.8
145.10143	11.3
145.31773	0.9
147.11690	9.1
149.09584	1.4
149.13240	1.9
151.11172	2.5
155.08606	1.9
156.09309	1.0
157.10126	7.6
159.10463	1.9
159.11708	25.0
161.09573	1.1
161.13272	9.4
163.11177	1.4
165.12721	2.6
167.51759	0.9
169.10133	3.9
171.11696	5.8
173.13272	20.2
175.14836	2.1
177.12689	1.6
181.10075	1.1
183.11664	3.4
185.13298	8.0
187.11192	1.6
187.14861	6.9
189.12804	2.7
189.16370	2.2
191.14313	1.3
195.11720	1.9
197.13339	2.3
199.14874	6.4
201.12746	4.7
201.16406	1.9
203.14305	2.9
209.13281	2.8
211.14818	4.0
213.16347	5.3
215.14285	3.3
215.17970	1.3
217.15857	1.6
223.14847	4.2
225.16370	7.9
227.17862	2.6
229.15907	1.9
231.17395	3.6
237.16487	2.0
239.17981	2.7
241.15929	1.3
243.17432	1.1
245.18968	1.2
251.17899	1.6
253.19417	1.6
255.17429	2.0
255.21088	1.4
257.18951	3.5
265.19464	1.2
269.19098	2.5
271.20526	2.4
283.20554	1.8
293.22583	5.3
309.22147	4.2
311.23700	100.0
312.24008	2.4
361.25226	1.3
406.94849	1.0
407.33023	4.2
417.31580	8.7
435.32599	30.9
453.33676	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	453.3365
Annotation	Stellettin J
Peak:m/z	Relative Intensity
52.18016	1.9
55.05518	13.1
57.03452	3.0
57.07082	3.1
59.04981	2.6
61.43372	2.2
66.18401	2.1
67.05518	18.0
69.07072	17.0
69.60752	11.7
71.04987	3.9
71.08645	2.5
77.26185	1.9
79.05502	13.2
81.07063	29.4
83.04964	5.5
83.08643	10.4
91.05482	48.6
93.07053	30.5
95.04979	3.1
95.08608	35.8
97.06521	2.6
97.10160	4.0
98.20843	4.0
99.08075	3.9
105.07037	39.4
107.08599	45.5
109.06506	4.7
109.10159	30.0
111.08087	4.7
117.07008	7.6
119.08590	71.7
121.06496	2.4
121.10151	32.1
123.08084	6.7
123.11729	13.6
125.09628	9.3
128.06253	3.7
128.84212	2.2
129.07016	9.7
131.08571	24.9
133.10136	57.6
135.08095	5.0
135.11685	14.4
137.09653	3.5
137.13274	2.8
142.07794	10.7
143.08528	19.5
145.10132	54.4
146.10802	2.1
147.08084	3.9
147.11690	32.4
149.09581	5.9
149.13255	11.0
151.11278	2.4
155.08551	7.3
156.09369	3.4
157.10135	37.7
158.10913	3.2
159.08118	2.7
159.11694	31.5
161.09645	8.5
161.13246	13.3
163.11197	6.3
163.14804	5.4
169.10207	10.8
170.10948	3.0
171.11731	23.5
173.09726	2.7
173.13293	29.5
175.11208	8.9
175.14825	14.0
177.12819	4.1
177.16463	6.1
183.11716	7.9
185.13293	16.9
187.11226	3.8
187.14832	22.2
189.12721	4.4
189.16383	22.4
191.14270	11.6
195.11823	3.0
197.13261	7.0
199.14828	21.7
201.16405	22.9
203.14279	4.6
203.18034	11.0
205.15854	10.7
207.11763	3.0
209.13303	4.6
211.14825	8.4
212.15677	4.6
213.16353	15.5
215.14363	6.2
215.17957	9.7
217.15889	40.4
219.17456	3.8
223.14853	4.4
225.16371	2.4
227.14331	2.7
227.17897	2.8
229.15942	6.3
231.17419	15.0
237.16333	4.6
245.19096	6.0
249.18518	4.2
255.17595	3.7
255.21092	16.5
265.19577	6.0
283.20560	36.4
286.44992	2.1
295.24152	4.8
300.17978	2.2
363.27130	3.5
407.33316	15.8
417.31345	12.9
425.34207	10.0
435.32632	99.4
453.33685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3366
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05504	9.2
67.05512	10.6
69.07066	8.0
69.42292	4.9
69.42707	6.6
69.67519	1.3
79.05486	6.3
81.07061	15.6
83.04985	2.3
83.08614	6.5
91.05480	4.9
93.07050	12.7
95.04978	1.4
95.08617	24.7
97.10181	1.5
98.20734	2.1
105.07044	10.3
107.08598	18.9
109.06487	2.2
109.10165	18.5
111.08106	3.4
113.09630	1.5
117.07030	2.4
119.08600	15.7
121.10144	11.4
123.11703	5.9
125.09624	3.4
127.09319	1.4
128.06242	1.9
129.07030	2.5
131.08603	10.0
133.10144	12.6
135.11658	5.2
137.09587	2.2
139.07484	1.7
139.11185	1.6
141.07069	1.4
142.07799	2.9
143.08549	13.6
145.10121	17.7
147.08118	1.9
147.11678	8.7
149.13257	2.3
149.16498	1.4
151.11253	3.0
153.05736	1.3
155.08560	3.3
156.09328	3.3
157.10139	24.9
158.10916	3.0
159.11697	21.2
161.13237	4.2
163.14810	3.7
167.08572	1.7
169.03662	1.5
169.10133	13.6
170.10904	2.6
171.11687	17.3
172.12476	5.4
173.13274	12.9
175.14767	2.8
179.08601	2.0
181.10158	3.8
182.10889	3.4
183.11696	13.3
184.12431	1.9
185.13281	19.0
186.13985	1.7
187.14836	8.1
189.16322	1.9
191.14368	2.1
194.10976	2.6
195.11710	12.1
196.12370	2.1
197.13217	14.0
198.13901	1.6
199.14903	8.5
201.16396	3.1
207.11800	2.0
208.12567	2.5
209.13281	14.9
210.14090	1.9
211.14804	15.3
212.15683	2.2
213.16415	6.7
215.17981	2.7
221.13271	3.2
223.14812	18.2
224.15620	2.7
225.16357	11.6
226.17274	2.6
227.17972	17.0
229.19414	2.5
235.14853	2.1
236.15604	1.8
237.16341	8.6
239.17943	8.5
241.19432	3.1
245.19016	1.9
249.16365	3.2
251.17973	3.4
253.19594	7.2
254.20337	2.4
255.21201	2.8
257.19141	1.7
259.20737	2.0
263.17932	5.2
264.18817	2.2
265.19540	3.1
267.21271	2.4
271.20627	3.3
278.20401	1.9
279.21069	14.9
281.22687	2.8
283.20456	2.4
291.21237	1.9
293.22635	19.5
294.23450	3.1
297.18900	1.7
297.22083	8.5
298.22781	2.0
299.23691	1.7
309.22006	1.8
311.23709	51.5
312.24380	3.8
349.25330	1.6
353.24628	1.6
365.24884	5.2
367.26440	2.6
379.26047	1.8
407.33362	2.4
417.31439	5.3
435.32611	42.2
453.33655	100.0
454.33646	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3362
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05515	10.3
57.07078	2.5
57.68894	1.0
58.93398	1.0
61.79401	1.1
67.05495	8.0
69.03424	1.5
69.07083	5.4
69.60746	7.3
79.05497	3.4
81.07056	9.3
83.04982	60.5
83.08601	2.4
85.06540	2.1
91.05481	4.7
93.07048	7.9
95.04981	1.4
95.08605	11.8
97.06519	2.1
105.07055	7.5
107.08587	13.2
109.06506	3.9
109.10145	10.1
111.08076	3.0
113.06074	1.5
113.24508	1.1
113.73090	1.1
117.07017	1.7
119.08565	13.2
121.10131	8.0
121.85198	1.1
123.08076	10.9
123.11684	7.0
125.09648	6.0
131.08585	6.1
133.10143	10.0
135.08015	1.3
135.11696	7.4
137.09616	1.5
141.09131	1.2
143.08569	2.8
145.10106	11.3
147.11682	6.4
149.09624	7.0
149.13292	3.7
151.11189	2.2
157.10078	5.6
159.11673	10.6
161.09689	1.4
161.13289	7.5
163.11211	3.4
163.14813	2.4
165.12762	2.4
169.10199	3.8
171.11691	6.0
173.13261	9.3
175.11282	1.5
175.14854	5.9
177.12759	3.9
181.91917	1.1
182.10989	1.3
183.11688	4.6
185.13290	5.3
187.14793	11.3
189.12677	1.6
189.16412	3.2
191.14322	2.3
193.12267	1.4
195.11639	1.9
195.13763	1.2
197.13303	3.1
199.14784	5.6
201.12737	2.4
201.16370	11.8
203.14381	2.7
209.13249	1.6
211.14848	2.6
213.16328	2.4
215.17957	3.1
217.15919	1.4
223.14799	1.8
225.16418	1.9
227.17955	3.8
231.17468	2.6
237.16385	1.5
239.18001	2.2
241.19463	1.7
243.17648	1.2
253.19621	6.6
255.17459	5.7
257.18991	3.8
265.19620	1.3
269.19055	3.3
271.20593	4.7
283.20496	1.8
297.22171	3.7
309.22119	3.3
311.23648	6.1
313.25208	3.8
321.25760	2.7
337.25241	6.0
339.26822	100.0
340.27069	2.5
369.27985	1.3
407.32532	2.0
417.31445	4.3
435.32547	29.7
453.33615	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	453.3367
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.57893	2.3
54.61327	2.1
55.05519	16.4
57.07067	6.6
57.94894	2.3
59.82835	3.0
65.03909	2.6
67.05518	17.2
69.07069	19.4
69.39462	19.1
71.04987	4.2
79.05511	16.8
81.07061	45.3
83.04981	11.5
83.08614	8.5
85.06535	3.2
88.21049	2.4
89.06030	3.4
91.05479	28.4
91.56642	2.6
93.07049	33.8
95.04988	4.0
95.08610	41.7
97.06507	4.7
97.10187	4.8
98.20773	3.6
99.08057	3.2
104.42313	2.1
105.07037	40.3
107.08597	55.5
107.31145	2.4
109.06551	12.8
109.10158	28.7
111.08066	4.0
117.06985	11.5
119.08584	48.7
121.06521	2.4
121.10155	42.0
123.08047	8.9
123.11723	16.0
125.09645	8.4
128.06340	2.7
129.07024	5.2
130.07700	2.9
131.08589	21.8
133.10161	36.7
135.08101	4.5
135.11685	19.6
137.09622	4.0
137.13295	4.4
139.07588	2.8
139.11226	3.7
142.07779	4.9
143.08568	19.6
145.10141	37.9
147.08063	4.0
147.11690	31.8
149.09631	6.7
149.13269	9.6
151.11134	2.3
155.08618	6.6
156.09340	5.0
157.10129	27.2
159.11705	31.7
161.09587	6.1
161.13266	16.2
163.11186	5.5
163.14827	6.8
165.12770	4.8
169.10167	10.7
171.11716	19.4
172.12509	2.5
173.13260	21.8
175.11195	7.0
175.14810	7.7
177.12787	6.4
179.14275	4.3
179.74126	2.8
183.11734	6.8
185.13309	17.2
187.11203	2.5
187.14844	21.7
189.12724	4.9
189.16406	23.0
191.14371	5.9
193.10045	2.4
193.12248	3.2
193.43460	2.3
195.11661	4.6
197.13330	11.5
199.14850	17.5
200.15680	3.0
201.12856	3.1
201.16385	29.4
203.14345	7.9
203.17970	5.1
205.15945	8.6
209.13333	6.0
211.14853	7.0
213.16380	10.1
215.14360	7.4
215.18015	10.4
217.15897	20.1
217.19635	2.8
223.14854	5.0
225.16440	7.4
227.14345	2.7
227.18019	10.1
229.15878	6.5
229.19560	4.4
231.17484	8.2
235.14900	2.6
237.16393	4.0
239.18018	4.3
241.15837	2.7
245.15584	3.3
245.18973	2.7
249.16341	2.5
251.18098	3.3
253.19485	2.8
255.21136	9.4
269.18857	2.8
271.20538	3.7
273.22079	4.7
279.20990	4.4
282.48639	2.6
283.20590	16.3
293.22668	5.2
295.24243	9.5
297.22116	2.8
311.23697	18.3
313.25162	4.2
323.23572	2.7
337.25229	4.1
363.26868	20.3
381.27863	37.3
407.33069	9.1
417.31320	13.6
425.33954	7.1
434.67047	2.8
435.32571	76.6
453.16797	3.1
453.33685	100.0
454.33768	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47125	1.1
53.03945	2.0
55.01879	2.7
55.05516	8.6
57.07079	1.6
59.04989	1.9
65.03941	1.7
67.05505	10.8
69.03450	7.0
69.06721	1.8
69.07071	19.2
70.07424	1.8
79.05482	11.1
81.03424	11.6
81.07066	15.0
83.04989	9.6
83.08628	6.0
85.06557	2.2
91.05481	14.6
93.07046	22.5
94.19096	1.2
95.04987	12.7
95.08608	23.2
96.08933	2.9
97.06532	4.0
97.10170	1.5
97.15328	1.2
99.08073	1.6
105.07040	18.0
107.04964	7.3
107.08592	20.9
109.06525	7.6
109.10145	12.5
111.08085	15.8
115.05464	3.0
117.07011	6.0
119.05988	1.2
119.08585	24.4
121.06535	6.3
121.10154	15.3
122.07308	2.1
123.08070	53.3
123.11694	4.0
124.43597	1.2
125.09633	3.8
128.06259	3.7
129.07016	8.0
130.07777	1.6
131.05031	1.4
131.08571	16.5
133.06500	2.5
133.10130	19.6
135.08029	7.6
135.11696	6.9
137.09624	12.8
141.07008	2.4
142.07782	6.4
143.08588	12.7
145.06490	2.2
145.10133	15.7
146.10400	1.8
147.08041	5.8
147.11681	9.3
149.09628	8.2
149.13240	4.0
151.11143	2.0
153.09154	2.4
155.08574	5.3
156.09332	3.6
157.10141	17.7
158.10783	1.9
159.08083	9.3
159.11716	15.2
160.12096	1.8
161.09642	15.2
161.13293	3.8
163.11145	3.7
165.06969	1.3
167.08577	2.4
168.09280	2.0
169.10130	8.4
170.10876	2.5
171.08051	2.7
171.11668	15.2
173.09642	8.1
173.13271	17.3
175.11179	12.8
175.14854	2.7
177.12770	2.0
179.08531	2.4
179.10733	2.1
180.09402	1.4
181.10149	3.9
182.11072	2.6
183.11723	10.1
184.12239	1.7
185.09631	4.4
185.13263	11.6
187.11240	4.2
187.14874	6.3
189.12741	3.1
189.16393	1.7
191.14372	4.2
192.09445	1.3
193.10193	2.9
194.10809	1.4
195.11783	5.9
196.12498	1.7
197.09631	2.9
197.13240	9.3
199.11159	7.1
199.14824	5.2
201.12721	5.9
201.16440	2.3
203.10727	1.7
203.14391	2.3
203.17892	1.7
205.10136	1.4
207.11784	3.4
209.09613	1.7
209.13289	5.4
210.14040	1.6
211.11153	3.4
211.14886	7.4
213.12750	6.1
213.16360	3.0
215.14392	3.5
217.15854	4.2
219.11774	1.6
220.12506	2.0
221.13231	3.4
223.11171	1.8
223.14893	4.9
225.12817	3.2
225.16418	4.1
226.16817	1.8
227.14348	3.1
227.18004	2.2
229.15825	2.7
229.19484	1.7
231.13849	2.1
231.17537	1.9
233.13277	1.7
235.14828	2.9
237.12805	2.9
237.16330	3.0
238.13586	1.3
239.14397	2.7
239.18002	2.3
241.12335	2.0
241.15897	2.2
241.19408	1.8
247.14902	1.6
249.16296	2.4
250.13676	1.3
251.14395	2.3
251.17776	1.5
252.15176	2.4
253.15796	2.8
253.19609	2.0
255.21211	2.6
263.14294	1.6
263.17990	2.7
265.19675	2.7
267.17407	4.9
269.19000	1.2
277.15906	2.3
281.15604	1.9
281.19022	6.4
283.20627	3.5
289.15759	1.4
291.13815	3.2
291.17389	2.9
295.20575	1.3
297.22064	2.1
305.19165	3.5
307.20514	2.2
311.23441	3.8
317.19196	2.6
325.21780	1.8
331.20709	1.6
333.18481	2.6
333.22174	2.3
339.26813	4.5
347.23706	10.8
357.22089	6.2
357.28183	1.5
365.24512	1.7
375.23160	39.3
393.24188	19.2
407.32922	1.6
417.31372	2.7
425.33041	1.8
435.26175	2.2
435.32474	15.3
453.33554	100.0
454.34024	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	453.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
53.07242	0.9
55.01842	1.6
55.05509	12.1
55.16318	0.9
55.32282	1.0
57.03434	1.1
57.07058	2.5
59.05012	0.9
61.02934	1.0
67.05502	13.4
69.03434	7.2
69.07071	12.8
69.90755	2.2
69.91161	2.9
71.04984	5.4
73.02932	1.0
77.66933	0.9
79.05492	2.0
81.03411	7.0
81.07056	20.9
81.13813	1.0
82.06570	2.5
83.04978	4.2
83.08623	10.8
85.02910	6.3
85.06543	9.4
86.10350	0.9
88.51077	1.0
91.05474	3.4
93.07042	4.1
95.04965	2.9
95.08621	7.0
97.02896	4.8
97.06493	1.1
98.09692	1.9
98.20770	1.2
99.04427	1.9
99.08070	1.5
100.07597	4.7
100.11256	63.8
105.07007	2.7
107.04993	1.3
107.08593	9.7
108.21267	0.8
109.02888	8.1
109.06499	1.6
109.10157	51.4
110.06036	2.4
111.04450	8.5
112.07591	1.5
113.05975	1.5
113.09671	0.8
117.13873	1.2
119.08566	1.5
121.06545	1.0
121.10133	2.8
123.04408	1.2
123.08057	1.2
123.11712	19.1
125.09621	7.6
126.09147	1.7
127.03915	10.2
127.08714	1.4
127.11198	23.7
128.07048	3.3
133.10114	3.2
137.05949	2.2
137.09589	1.6
139.08661	4.0
140.07065	2.1
147.11722	1.4
149.09576	2.3
151.11191	10.0
151.41162	0.9
163.07524	1.2
167.10686	1.3
169.12234	23.7
169.13658	1.7
169.15857	2.0
182.15416	21.5
187.06000	1.4
187.13316	4.7
187.17036	1.2
188.13544	1.3
193.12230	1.1
209.16495	22.3
210.14877	22.3
226.19164	7.7
227.17523	1.9
228.15912	1.3
259.13275	1.5
273.20578	1.1
277.14383	6.8
291.11136	1.1
295.15408	17.3
308.27020	1.1
313.16422	15.7
326.28110	3.3
331.17523	5.7
336.22906	2.8
375.01718	1.0
435.17493	2.1
435.33295	18.5
453.21332	4.5
453.34366	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
53.03948	5.2
55.01873	15.9
55.05508	2.2
65.03931	1.4
67.05508	8.8
67.59544	1.0
69.03433	6.8
69.07063	4.3
69.21903	5.9
69.22325	3.5
71.05000	1.6
76.11742	1.0
79.05061	2.2
79.05492	29.7
81.03414	26.6
81.07075	9.9
83.04980	4.6
83.08598	1.6
83.37232	1.0
85.06545	1.3
91.05478	34.3
93.07038	9.4
95.01327	3.1
95.04967	15.7
95.08607	8.3
97.06508	1.2
97.10145	1.1
103.05463	4.0
105.04466	1.8
105.07029	19.7
107.04951	26.5
107.05620	1.9
107.08608	8.3
109.06534	3.8
109.10175	3.8
115.05431	6.8
115.07579	1.0
116.06244	4.5
117.07016	15.1
119.04937	3.5
119.08585	37.8
121.02845	2.0
121.06516	6.7
121.10162	5.8
123.08066	2.9
123.11684	1.6
128.06212	6.7
129.07004	24.5
130.07724	1.1
131.04906	2.0
131.08575	30.5
132.05698	1.2
133.06523	8.3
133.10124	18.6
135.08052	6.7
135.11688	4.2
141.06989	5.4
142.07793	4.9
143.08565	15.9
144.05728	3.8
144.09357	1.4
145.06474	19.1
145.10120	15.6
146.07303	2.0
147.08051	63.5
147.11684	3.9
149.09621	32.4
153.06981	1.8
154.07713	2.1
155.08546	7.7
156.09366	6.2
157.06511	3.5
157.10136	31.3
158.07304	1.9
158.10944	1.2
159.08058	61.3
159.11685	26.8
160.08806	1.2
161.06088	1.3
161.09628	39.7
161.13225	1.8
163.07552	2.0
163.11206	2.3
165.06999	2.1
166.07799	2.5
167.08540	3.3
168.09378	3.0
169.10139	12.5
170.10890	2.5
171.08121	6.0
171.11687	24.4
172.08768	1.6
173.06119	4.7
173.09608	15.2
173.13251	10.1
174.10471	1.1
175.07542	14.7
175.11171	3.9
175.14737	1.7
177.09113	3.9
179.08585	4.1
179.10658	1.1
180.09454	1.2
181.10152	5.0
182.07314	1.6
182.10945	1.7
183.08067	3.6
183.11705	20.5
184.08900	1.8
185.09654	8.4
185.13242	10.1
186.10487	1.2
187.07571	3.1
187.11203	10.2
189.09097	4.4
189.12694	1.5
191.08815	1.0
191.10687	4.3
193.10190	6.2
193.12170	2.2
194.10895	2.8
195.08078	2.3
195.11783	6.3
197.09639	8.8
197.13242	8.0
199.11211	14.3
199.14886	2.9
201.09163	3.7
201.12714	7.8
203.08531	1.3
203.10710	1.4
205.10223	2.2
205.12115	1.9
206.10970	3.4
207.11717	7.2
208.08870	1.1
208.12561	2.9
209.09653	4.9
209.13237	7.1
210.10406	2.8
210.18298	1.1
211.07643	1.9
211.11179	8.6
211.14868	4.3
213.09074	2.3
213.12807	4.2
215.08714	2.1
215.10678	9.9
217.10181	2.7
217.12270	6.2
218.10963	2.6
219.11658	2.6
219.13721	1.6
220.12431	2.1
221.09700	2.0
221.13321	9.0
222.10455	2.3
222.14098	1.3
223.11176	6.4
223.14745	5.3
224.11972	2.2
225.09174	2.3
225.12756	10.5
225.16345	2.1
226.13560	1.5
227.10689	3.2
227.14349	2.7
229.10316	1.7
229.12199	6.7
230.10918	1.4
231.11781	2.2
231.13876	4.4
232.12456	2.2
233.09648	2.2
233.13257	2.9
233.15448	7.3
234.10330	1.2
234.14046	1.3
235.11192	5.5
235.14874	3.6
236.11887	1.8
237.12645	6.5
237.16403	1.9
239.10693	3.2
239.14323	4.3
241.12207	2.7
243.11731	2.2
243.13889	2.6
245.11485	1.5
245.13545	2.2
245.15469	2.7
246.10399	1.3
246.14148	2.2
247.11185	4.2
247.14848	4.1
248.12024	2.1
249.12724	7.3
249.16707	1.2
250.13562	3.5
251.14314	5.9
253.12299	2.3
253.15958	2.5
255.11624	1.2
255.13768	5.0
256.12381	1.2
257.13278	2.4
257.15634	1.3
258.14233	1.8
258.71997	1.1
259.11029	2.1
259.13226	1.4
259.15213	1.4
260.12018	1.6
261.12677	3.9
261.14987	3.4
263.10812	1.5
263.14227	3.1
265.12094	1.1
265.15952	5.0
267.11502	1.5
267.13953	2.5
271.14932	1.6
272.15567	2.0
273.12646	2.1
274.13651	1.2
275.14502	6.5
276.15137	1.6
277.12360	2.0
277.15787	1.4
279.13980	1.8
279.17343	1.3
281.15729	1.5
282.13901	1.6
284.12170	1.6
285.12735	2.0
286.13425	1.4
287.14337	2.2
287.17819	1.9
289.12524	1.1
289.15887	4.5
291.13876	2.3
291.17206	1.9
293.15381	2.7
295.24176	2.0
299.14310	2.8
300.15118	2.9
301.15808	3.3
303.13849	1.6
303.17255	2.4
305.15427	1.7
305.19077	3.5
307.16922	1.7
313.15759	1.7
314.16675	2.5
315.17401	12.3
316.17917	1.2
317.15332	3.3
317.18927	4.1
319.16879	2.4
321.18350	1.3
325.15863	2.0
329.15540	1.2
329.18912	5.1
331.17004	4.3
333.18484	14.3
335.16309	7.0
339.16949	1.6
343.16830	8.0
347.16309	2.1
347.20053	9.2
357.18628	8.8
359.16296	1.7
361.17871	10.0
367.19321	4.8
373.17923	2.4
375.19479	17.9
377.17416	1.5
385.17862	5.1
389.21301	9.5
391.18503	1.8
391.22696	4.0
393.20593	4.3
399.19757	1.2
403.19046	14.8
405.20480	3.5
407.16882	1.4
407.22205	26.1
409.19855	2.9
409.24451	1.6
417.20602	23.6
421.20062	2.3
425.23169	2.8
435.21698	56.7
435.32468	3.2
453.22748	100.0
453.33530	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	453.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.0
53.03938	5.6
55.01376	1.8
55.01873	20.1
55.05507	9.4
59.05000	2.3
65.03926	2.6
67.05509	17.3
69.03421	9.1
69.07052	8.3
69.33141	17.6
70.92881	1.9
71.04972	2.6
79.05133	2.3
79.05500	25.9
81.03425	22.3
81.06599	2.5
81.07063	48.6
83.04984	9.3
83.08599	3.2
85.06538	2.7
91.05486	51.9
92.48664	1.9
93.07050	24.0
95.01324	4.2
95.04985	26.8
95.08615	15.3
97.06538	3.9
103.05466	5.7
105.03418	2.6
105.07042	27.9
105.11008	2.0
107.04948	14.8
107.08600	23.1
109.06530	20.7
109.10143	9.0
111.08084	4.4
113.05984	1.9
115.05452	10.3
116.06232	5.1
117.07028	28.7
119.04924	4.4
119.08593	58.6
121.06509	9.3
121.10186	13.9
123.08086	3.5
123.11694	2.8
125.05985	2.4
128.06236	9.2
129.07024	31.1
130.07791	7.2
131.04901	3.8
131.08575	46.0
133.06496	6.7
133.10144	30.3
135.08061	12.3
135.11691	8.0
141.07043	6.7
142.07787	8.2
143.07602	3.2
143.08586	24.5
144.05795	2.7
144.09409	4.6
145.06500	25.4
145.10152	30.6
147.08061	82.5
147.11742	10.6
149.09590	17.2
153.06996	4.9
155.08603	10.2
156.09346	7.6
157.06459	4.0
157.10132	47.7
158.07295	3.1
158.10901	3.2
158.78033	2.2
159.08075	88.3
159.11690	42.1
161.05997	3.9
161.09634	34.9
161.13292	3.5
163.07545	35.7
163.11201	3.7
165.07022	2.8
165.09145	2.8
167.08553	6.2
168.09383	5.5
169.10120	22.0
170.10901	5.8
171.08064	8.8
171.11691	35.6
173.06018	6.2
173.09634	31.0
173.13234	12.2
175.07535	12.1
175.11183	5.3
175.14948	4.1
177.09094	3.6
179.08534	4.5
179.10651	2.3
180.09427	2.4
181.06523	2.3
181.10117	9.3
182.10980	2.5
183.08057	6.3
183.11711	29.6
184.08907	2.3
185.09631	20.4
185.13263	16.7
187.07555	3.3
187.11172	22.2
187.14835	5.9
189.09116	6.4
189.12784	2.8
189.16403	3.2
191.10649	4.0
192.09372	2.5
193.10121	8.6
194.10834	4.0
195.07985	3.8
195.11699	11.7
196.08850	3.4
196.12544	2.7
197.09659	15.3
197.13287	10.8
199.11259	17.1
199.14857	7.0
201.09091	13.7
201.12773	18.2
201.16350	3.8
203.10674	5.7
205.10173	2.1
206.10980	5.7
207.11725	9.7
207.13628	2.3
208.12453	3.9
209.09619	8.6
209.13281	8.0
211.11211	12.3
211.14798	7.3
213.09122	4.4
213.12737	9.0
213.16411	5.3
215.10693	12.1
215.14212	3.7
217.00713	2.1
217.10219	3.3
217.12236	2.9
218.10909	3.7
219.11740	5.4
219.13634	2.4
220.12390	4.5
221.09717	2.9
221.13290	8.7
223.11119	4.3
223.14838	6.0
225.12732	6.9
225.16342	3.5
227.10690	7.7
227.14220	4.5
227.17960	2.1
229.10315	3.2
229.12245	17.0
229.91211	2.0
230.10907	4.5
231.11815	4.1
231.13834	6.5
232.12398	4.3
233.09656	2.9
233.11533	3.2
233.13443	3.2
233.15341	4.6
234.10388	3.4
235.11191	4.6
235.14960	3.6
236.11922	2.3
237.12732	8.2
237.16359	4.7
239.10684	3.9
239.14316	5.1
241.12296	4.6
241.15910	2.7
242.10756	2.2
243.11664	3.0
243.13835	6.3
245.11481	3.0
245.15356	5.8
246.10500	3.0
246.14020	4.7
247.11177	3.7
247.15071	3.9
248.12001	4.2
249.12781	4.9
249.16563	2.5
251.14281	4.6
253.12180	3.0
255.21132	2.6
257.11542	2.4
258.13876	2.8
259.11041	3.4
259.13400	6.6
260.11978	3.3
261.12509	3.4
261.14914	8.5
263.14200	4.5
265.12387	2.0
265.15939	2.8
267.13876	3.2
270.14084	2.7
271.10995	2.4
271.14832	2.7
272.15457	3.8
273.12729	6.2
275.14444	4.5
277.12100	2.9
277.15790	3.6
279.13733	7.2
279.16730	2.1
282.14047	3.1
284.12042	2.5
285.12665	4.5
285.18604	4.7
287.14468	3.9
289.14404	3.7
291.13724	2.3
293.15396	4.8
293.19055	2.5
293.22604	3.8
295.24231	3.5
297.25775	3.3
299.10849	2.4
299.14124	3.5
301.15921	3.2
303.17432	3.8
307.16772	3.1
311.23593	3.1
313.15604	4.8
313.25290	6.1
315.17422	17.7
315.26813	2.3
317.15344	4.7
317.18912	3.2
329.18994	9.8
331.16824	4.2
333.18384	11.9
335.16409	3.9
343.16876	7.4
347.20044	8.1
353.21057	5.1
357.18512	14.2
361.17987	9.1
363.26840	4.5
373.18216	3.4
375.19611	16.6
377.17480	3.4
379.18698	3.0
385.18027	6.1
389.21173	14.5
391.18625	3.7
391.23138	3.4
393.20682	5.1
399.19534	3.1
403.19016	14.9
407.22275	20.3
407.33105	2.9
409.20026	4.1
417.20602	19.2
421.20163	13.2
425.23373	4.3
435.21643	43.4
435.32477	16.3
453.22699	100.0
453.33374	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.3
53.03942	5.2
55.01624	1.3
55.01873	20.8
55.05514	4.6
61.11588	0.8
65.03933	2.8
67.05511	9.7
69.03429	8.6
69.07059	1.7
71.04985	2.3
71.56612	1.1
75.82189	0.9
77.03910	2.0
79.05493	31.3
81.03419	28.2
81.07058	10.9
83.04971	3.8
83.08624	1.6
84.08478	0.8
85.02906	1.7
85.06564	1.1
87.04462	1.2
91.05480	36.9
93.03403	1.2
93.07043	11.3
95.01330	4.8
95.04971	23.0
95.08607	7.0
96.16383	0.8
97.02833	1.3
97.06522	2.1
102.75244	0.9
103.05450	3.8
105.03390	1.3
105.04505	1.6
105.07029	26.7
107.04956	27.3
107.08594	11.5
109.06514	11.0
109.10149	2.1
111.04472	1.2
111.08064	2.1
111.38826	0.8
115.05433	12.6
116.06228	3.9
117.07018	26.5
119.04945	2.8
119.08585	46.6
121.02859	1.7
121.06518	10.8
121.10124	5.7
123.08055	3.0
123.11714	1.3
125.05997	1.2
128.06235	7.3
129.07005	31.5
130.07814	5.1
131.04932	3.8
131.08571	30.2
132.05724	2.9
133.06491	11.1
133.10138	18.2
133.89815	0.8
135.04391	1.0
135.08047	9.3
135.11740	2.1
137.06006	1.1
137.09573	1.5
141.07008	6.5
142.07758	9.4
143.08556	23.7
144.05701	2.7
144.09309	3.4
145.06485	22.1
145.10123	22.7
146.07176	2.8
147.08046	96.5
147.11707	2.9
149.05992	1.5
149.09613	33.7
151.07536	2.6
151.11186	1.0
151.33282	1.0
153.06960	3.4
154.07759	2.5
155.06032	1.1
155.08536	9.9
156.09334	8.8
157.06503	3.4
157.10133	35.3
158.07262	5.1
158.10899	1.7
159.08060	50.2
159.11690	32.7
161.05949	3.1
161.09622	36.5
161.13164	1.1
163.07549	53.1
163.11191	2.8
165.07037	3.7
165.09119	1.9
165.98972	1.0
166.07764	2.9
167.08546	4.1
168.09349	3.6
169.06441	2.1
169.10117	21.2
170.10889	5.0
171.08049	9.9
171.11687	25.2
172.08862	3.3
173.05952	5.7
173.09622	31.5
173.13255	13.2
174.10545	1.1
175.07564	17.7
175.11079	4.8
177.09148	6.5
178.07838	1.0
179.08528	5.5
180.09314	2.5
181.06520	1.2
181.10074	7.4
182.07330	1.5
182.10910	1.8
183.08051	5.5
183.11685	29.3
184.08838	3.0
184.12309	1.6
185.09612	16.0
185.13240	15.6
186.10368	3.1
187.07558	5.0
187.11180	16.3
187.14891	1.3
189.09114	6.4
189.12808	1.1
191.08633	2.1
191.10675	5.0
192.09288	2.6
193.08540	1.4
193.10156	7.7
193.12029	1.7
194.10883	4.1
195.08035	3.9
195.11711	10.1
196.08907	2.7
196.12390	1.4
197.09607	15.3
197.13293	6.1
198.10463	1.4
199.07480	2.4
199.11168	14.4
199.14909	1.5
201.09122	18.1
201.12721	16.8
203.08849	1.3
203.10655	5.2
204.09291	1.3
205.08530	1.5
205.10214	3.1
205.12305	1.4
206.10994	4.2
207.09946	1.1
207.11734	10.6
207.13528	1.4
208.08827	1.6
208.12482	3.1
209.09677	7.9
209.13275	6.7
210.10419	2.4
211.07639	1.5
211.11179	14.8
211.14827	3.4
213.09213	4.8
213.12746	7.6
215.08661	1.8
215.10652	12.5
215.14415	1.1
216.09279	2.3
217.10185	2.8
217.12253	6.8
218.10851	2.0
219.09927	1.3
219.11861	4.5
219.13675	1.3
220.12485	2.9
221.09673	3.3
221.11536	1.1
221.13319	7.7
222.10393	3.1
222.13994	2.0
223.11208	9.4
223.14839	4.6
224.11995	2.3
225.09131	2.7
225.12735	10.7
225.16335	1.8
226.09743	1.1
227.10666	7.2
227.14333	2.3
229.10135	2.2
229.12212	15.1
230.10895	2.5
231.10109	2.6
231.11771	2.6
231.13853	3.7
232.12448	2.6
233.09534	2.5
233.13248	5.3
233.15430	8.3
234.10434	2.4
234.13943	1.5
235.11276	6.3
235.14946	3.2
236.11943	2.7
237.12694	9.6
237.16454	1.9
238.13583	1.0
239.10689	5.0
239.14343	6.1
241.12289	4.0
243.11687	2.1
243.13835	7.4
244.12509	1.6
245.09566	2.0
245.11328	4.6
245.15578	1.5
246.10350	1.9
246.14108	1.3
247.11285	4.2
247.15150	4.6
248.11992	2.3
249.08885	1.0
249.12743	7.5
250.13646	2.2
251.10684	2.0
251.14418	5.9
252.11453	1.0
253.12280	3.4
253.15909	1.9
255.13846	5.9
256.12378	1.4
257.09467	1.0
257.13687	4.2
258.14093	2.5
259.11072	4.0
259.13403	3.7
260.11978	4.3
261.12631	5.4
261.14755	7.7
262.13492	1.7
263.10577	1.8
263.14493	5.4
265.12320	3.0
265.15961	3.1
267.11398	1.8
267.13947	4.3
268.12512	1.0
269.09589	1.2
269.15540	1.0
270.13809	1.2
271.10962	1.5
271.13217	1.4
271.15112	1.6
273.12683	5.2
273.15494	1.3
274.10516	0.9
274.13489	2.4
275.14636	7.0
276.15149	1.4
277.12222	2.6
277.15579	1.5
279.13800	4.1
281.15485	2.7
282.14020	1.3
283.10828	1.4
283.13623	1.2
284.11850	2.4
285.09921	1.0
285.12363	4.3
286.13528	3.0
287.14310	5.3
287.17932	2.6
288.14984	1.6
289.15695	5.9
291.13770	3.6
291.17175	1.6
293.15341	4.0
297.16022	1.5
299.13995	5.0
300.15094	3.2
301.12585	1.6
301.15817	4.9
301.19043	1.0
302.16571	1.4
303.13724	3.3
303.17343	2.9
305.15298	3.1
305.19046	2.9
307.16702	1.3
309.15189	2.0
313.15808	3.3
314.16455	1.8
315.13986	1.7
315.17429	17.1
316.14554	1.4
317.15390	6.4
317.18762	1.8
319.13486	1.5
319.16959	3.7
319.20340	1.5
321.14716	2.5
323.16522	2.1
325.15854	3.3
328.14233	1.3
329.15460	2.0
329.19064	6.6
331.16843	6.3
333.14725	1.9
333.18448	12.2
335.16483	3.8
339.17377	3.5
342.16269	1.8
343.16931	8.9
345.18518	1.7
347.16388	1.3
347.20096	9.7
349.18130	2.5
351.19553	2.0
353.17322	1.1
357.18518	12.9
359.16440	2.6
361.18033	11.3
363.19876	1.4
367.18915	3.2
373.17789	2.0
374.19373	0.9
375.19553	20.3
375.23752	1.8
377.17419	2.5
379.18948	2.3
385.17841	8.0
389.21130	13.5
391.18832	5.2
391.23373	1.1
393.20477	6.4
393.24936	1.0
395.18597	1.9
399.19498	2.5
403.19019	16.5
405.20596	3.2
407.16888	1.3
407.22147	20.3
409.20093	3.9
417.20624	23.1
421.20398	5.4
425.23215	1.8
435.21689	55.7
435.31808	1.8
453.22699	100.0
453.33438	3.3
454.23105	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.1
55.01874	22.7
55.05509	10.4
57.03439	2.0
57.16849	1.6
57.37346	1.2
58.19921	1.3
65.03962	1.6
67.05511	15.8
69.03426	7.8
69.07075	5.8
71.05000	2.1
79.05064	2.2
79.05499	35.4
79.91797	1.3
81.03421	35.8
81.07061	17.7
83.05000	11.3
83.08611	2.3
87.04454	2.1
91.05479	46.5
93.07050	18.4
94.75241	1.2
95.01347	4.5
95.04971	24.0
95.08615	12.9
97.02870	1.5
97.06533	3.0
98.20705	3.4
100.08392	1.5
101.36830	1.3
102.27367	1.5
103.05470	6.3
105.03403	1.6
105.07033	29.0
107.04958	29.0
107.08603	16.7
109.06541	10.4
109.10168	7.1
111.08066	1.8
115.04044	1.7
115.05476	13.8
116.06245	4.5
117.07025	28.1
119.04945	4.3
119.06142	1.6
119.08592	48.5
119.09469	2.3
120.46728	1.3
121.02885	2.0
121.06523	10.4
121.10146	7.4
123.08080	2.8
123.11700	1.8
128.06198	10.6
128.70775	1.4
129.07013	33.6
130.07825	2.6
131.04959	4.7
131.08571	36.1
132.05734	2.6
133.06503	8.8
133.10146	19.8
135.08043	13.1
135.11732	5.5
137.09639	4.3
141.06992	8.3
142.07761	7.8
143.08577	24.7
144.05719	3.5
144.09343	3.5
144.81029	1.3
145.06494	22.9
145.10126	29.6
146.07295	2.6
147.08057	97.3
147.11708	5.3
149.09618	35.1
149.10728	2.6
151.07622	1.4
151.11148	1.9
153.07043	3.8
154.07767	3.6
155.08568	11.8
156.09354	10.4
157.06520	4.5
157.10143	44.1
158.07317	3.8
158.10884	2.6
159.08061	54.0
159.11700	39.3
160.08687	1.3
161.05992	4.4
161.09631	40.3
161.13225	2.4
163.07550	51.7
163.11165	2.0
165.07022	5.4
166.07828	3.1
167.08601	5.6
168.09331	3.1
169.10143	24.4
170.10919	4.3
171.08107	8.7
171.11707	37.3
172.08830	2.7
173.06010	6.3
173.09630	33.9
173.13231	10.9
174.10420	1.5
175.07573	18.2
175.11243	8.1
175.14755	1.5
177.09131	6.1
179.08617	6.1
179.10692	2.2
180.09402	3.6
181.10158	8.1
182.07321	1.5
182.10902	2.7
183.08125	6.8
183.11699	35.3
183.13216	2.4
184.12419	1.7
185.09659	14.3
185.13248	18.8
186.10457	2.4
187.07558	6.5
187.11203	17.1
187.14874	2.6
189.09148	7.2
189.12750	2.1
191.10713	6.0
192.09366	2.4
193.10175	9.9
193.12198	2.8
194.10953	4.7
195.08075	2.9
195.11668	13.0
196.08867	2.6
197.09639	14.4
197.13258	11.1
198.10338	2.3
199.07628	2.2
199.11195	21.0
199.14841	2.7
201.09085	14.1
201.12721	17.9
203.08751	2.8
203.10741	5.5
204.09349	1.9
205.10368	2.9
205.12189	2.3
206.10963	5.6
207.11748	9.7
208.08852	2.2
208.12456	3.7
209.09647	8.2
209.13284	12.1
210.10382	4.6
211.11169	15.2
211.14867	4.5
213.09181	5.8
213.12779	7.9
215.10623	13.9
215.14264	2.7
217.10301	2.5
217.12216	5.6
218.10988	2.3
219.11751	5.5
219.13754	1.9
220.12592	3.4
221.09654	3.9
221.13371	9.3
222.10542	1.9
223.11201	11.5
223.14723	8.0
224.12025	3.5
225.09109	2.0
225.12794	10.2
225.16377	3.6
227.10727	5.7
227.14398	2.6
229.12234	15.6
231.11745	4.1
231.13881	4.7
232.12506	2.3
233.09639	2.8
233.13261	6.1
233.15456	7.2
234.10307	2.0
234.14102	2.7
235.11221	6.9
235.14888	5.0
236.11949	4.2
237.12733	11.3
237.16420	3.6
239.10678	5.1
239.14348	7.6
241.12306	3.3
243.11800	2.3
243.13736	7.7
244.12502	2.6
245.09622	2.7
245.11534	2.4
245.13454	2.6
245.15459	4.3
246.10431	3.1
246.14168	2.9
247.11067	4.7
247.14894	4.9
248.12003	2.8
249.12730	8.0
249.16479	2.6
251.10707	2.3
251.14337	8.0
251.18019	2.6
253.12303	3.0
253.15849	2.2
255.11560	2.3
255.13921	4.7
256.12564	2.6
257.11484	3.6
259.11197	5.2
259.13480	4.9
260.12036	3.5
261.12607	5.0
261.14987	6.7
262.13531	1.6
263.14380	6.0
265.12357	1.8
265.15900	4.4
267.13934	2.5
271.10971	2.1
271.14871	1.4
272.12143	1.9
273.12732	4.6
274.13501	2.4
275.14252	6.2
275.17957	3.5
276.15063	2.3
277.12360	2.3
277.15924	2.1
279.13913	5.2
282.13931	1.8
284.11938	3.1
285.12753	6.3
286.13528	2.3
287.14352	5.4
287.17850	2.4
289.16296	3.8
291.13861	3.5
291.17297	3.2
293.15359	3.8
293.22656	3.8
295.13492	1.7
299.14374	4.1
300.15134	3.9
301.12424	2.1
301.15875	5.9
303.13846	3.3
303.17303	2.9
305.15518	3.1
305.19022	4.7
307.16827	2.2
311.23740	6.7
313.15714	2.5
315.14017	3.2
315.17303	13.0
317.15335	6.1
317.18759	2.2
319.16788	4.0
319.20630	2.1
321.18524	1.9
323.16406	1.8
329.19095	8.5
329.24649	3.1
331.16977	7.0
333.18509	17.1
335.16440	4.2
343.16992	11.2
347.20132	9.9
349.17819	3.4
353.21140	4.4
357.18448	14.3
358.18454	1.7
359.16428	2.5
361.18011	12.5
363.19702	1.9
367.19293	3.1
373.18085	1.7
375.19485	22.1
375.23566	2.0
377.17322	2.3
385.17908	8.1
389.21124	13.6
391.18988	5.0
391.23346	1.9
393.20697	6.7
395.18103	2.1
399.19818	1.5
403.19070	21.9
407.22232	23.5
409.20151	4.8
417.20657	20.8
421.20026	7.7
425.23181	2.7
435.21725	61.3
435.32529	5.2
436.22464	2.2
453.22748	100.0
453.33304	31.6
454.23175	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
55.01877	19.1
55.05497	3.5
57.03425	1.4
61.57799	0.9
62.14902	1.0
67.05506	7.4
69.03429	7.6
69.07066	1.9
69.33118	1.8
69.33524	7.6
71.04998	1.1
77.03931	2.1
79.05058	1.7
79.05494	23.5
80.25505	1.0
81.02977	1.9
81.03419	23.8
81.07059	14.2
82.96942	0.9
83.04974	4.0
85.02901	1.2
85.06523	1.3
87.04485	1.1
91.05486	34.6
93.07056	9.8
95.01302	2.2
95.04966	18.8
95.08614	6.1
97.06517	1.5
98.21530	2.0
99.08095	1.2
103.05451	4.2
105.07030	24.6
107.04958	15.5
107.08609	11.4
109.06504	9.8
109.10135	1.8
111.04475	1.0
111.08070	1.7
113.05969	1.4
115.05450	12.4
116.06235	5.0
117.07021	23.1
119.04924	3.7
119.08588	37.7
120.75493	0.9
121.02829	1.1
121.06491	7.0
121.10085	5.4
123.08057	3.7
125.05988	1.4
128.06232	8.9
129.07010	24.9
130.07764	3.4
131.04927	3.4
131.08572	30.1
132.05675	1.2
133.06516	9.9
133.10141	15.7
135.08046	13.2
135.11679	1.9
137.05934	1.1
137.09583	2.1
141.07037	5.1
142.07787	6.7
143.08577	19.9
143.37193	1.1
144.05733	3.4
144.09326	2.0
145.06485	22.9
145.10127	23.2
146.07298	1.1
147.08058	74.2
147.11656	4.2
149.05919	1.9
149.09633	25.9
153.06955	3.1
154.07748	2.5
155.06024	1.2
155.08551	9.0
156.09383	8.5
157.06487	2.9
157.10144	36.4
157.11459	1.8
158.07219	4.3
158.10741	1.4
159.08064	63.9
159.11693	28.9
161.05957	4.0
161.08289	1.9
161.09627	33.1
163.07559	43.5
163.11179	2.8
165.06984	3.7
165.09175	2.1
166.07701	2.6
167.07236	1.5
167.08583	4.3
168.09366	4.1
169.06430	1.2
169.10132	17.9
170.07306	1.1
170.10892	4.6
171.08037	7.8
171.11696	26.1
172.08771	2.8
173.06056	6.2
173.09637	27.2
173.13255	12.6
174.10371	1.7
175.07561	14.5
175.11212	6.0
177.09146	5.0
178.07851	1.5
179.08571	4.6
179.10675	1.4
180.09346	2.9
181.10097	6.2
182.07164	2.6
182.10872	2.3
183.08060	4.3
183.11693	26.6
184.08824	1.9
185.09637	15.9
185.13222	11.5
186.10365	3.6
187.07526	3.2
187.11206	18.0
189.09067	4.6
189.12712	1.5
191.08693	1.7
191.10658	3.8
192.09370	2.3
193.10165	9.1
193.11971	1.8
194.10983	2.4
195.08014	3.6
195.11702	9.5
196.08821	2.6
196.12476	1.2
197.09634	12.5
197.13240	6.1
198.10414	2.0
199.07500	1.2
199.11169	17.6
199.14819	1.9
201.09117	15.2
201.12749	17.5
203.08644	1.5
203.10657	2.8
205.10178	2.2
205.12102	1.5
206.10904	3.4
207.11710	8.8
208.08875	1.1
208.12415	4.6
209.09618	7.7
209.13257	7.8
210.10294	2.0
211.11195	13.4
211.14836	2.4
213.09081	4.3
213.12721	6.1
215.10681	8.4
216.09218	1.3
217.10190	2.5
217.12244	3.4
218.10915	2.8
219.09946	1.9
219.11693	3.4
219.13686	1.7
220.12418	2.3
221.09628	2.5
221.13341	7.9
222.10345	3.0
223.11203	8.3
223.14777	4.9
224.11957	2.5
225.09111	2.2
225.12772	7.1
225.16335	2.3
227.10698	4.9
227.14384	2.1
229.10196	2.3
229.12233	15.4
230.10889	1.5
231.09894	1.9
231.11845	2.0
231.13792	3.1
232.12424	2.8
233.09555	2.8
233.11502	2.1
233.13310	3.0
233.15245	5.0
234.10330	2.9
234.14041	1.4
235.11188	6.2
235.14874	4.1
236.12012	2.4
237.12752	11.2
237.16414	2.2
238.13527	1.4
239.10634	4.0
239.14325	4.0
241.12282	2.9
242.10913	1.4
243.11743	1.9
243.13789	6.2
243.17445	5.5
244.12433	2.4
245.09468	2.6
245.11563	2.3
245.15433	2.2
246.10378	2.4
246.14024	2.1
247.11032	3.3
247.13220	3.3
247.15115	2.7
248.11913	3.2
249.12743	6.0
250.13620	1.6
251.10629	2.7
251.14377	5.6
253.12271	3.5
253.15947	1.7
255.13853	3.5
256.12656	1.4
257.11569	2.3
258.13846	1.3
259.11075	3.9
259.13330	4.2
260.11938	3.9
261.12634	4.6
261.14828	7.2
262.13498	2.2
263.14331	5.2
265.12091	2.0
265.15714	2.3
267.14063	2.3
271.13602	1.5
272.11768	1.6
272.15341	1.1
273.12686	5.0
274.13437	2.5
275.14310	3.7
277.12204	2.7
277.15948	1.5
279.13870	6.5
279.16519	1.2
281.15494	2.4
283.11047	1.3
285.12515	4.8
285.15561	1.5
285.18668	2.1
286.13495	4.4
287.14243	4.9
287.17725	2.6
289.11618	1.2
289.15677	4.4
290.16327	1.6
291.13794	3.2
291.17151	1.7
293.15378	3.6
299.14227	5.2
300.15057	5.5
301.15720	3.1
303.13782	2.0
303.17279	1.5
305.15335	3.0
305.19061	2.9
307.16898	1.9
309.15079	1.7
311.16879	1.4
313.15610	2.9
314.16641	1.9
315.14075	2.3
315.17441	13.5
317.15283	5.3
317.18756	2.3
319.16965	4.3
321.14871	1.4
323.16434	3.0
325.15533	2.3
329.18994	8.5
331.16602	3.3
333.14951	1.5
333.18451	11.0
335.16272	3.2
339.16931	2.0
343.16833	7.7
345.18591	1.7
347.16354	1.7
347.19989	7.5
349.17944	2.5
351.23224	1.5
357.18460	10.8
359.16364	2.3
361.17984	10.0
367.19058	3.0
375.19540	18.2
377.17502	2.2
381.20557	1.5
385.17917	6.2
389.21182	13.4
391.18909	3.9
393.20328	3.4
399.19827	1.1
403.18982	14.5
405.20554	2.4
407.22214	17.8
409.20078	3.4
417.15707	1.5
417.20685	17.8
421.20102	11.0
425.22998	3.2
435.21674	46.5
436.22244	1.1
453.22595	100.0
454.22672	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1391
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.34592	0.5
52.28294	0.5
55.01877	0.9
57.03431	0.9
61.02925	0.8
65.03932	1.0
67.05491	1.2
68.99790	1.5
69.03426	2.1
69.76865	3.2
70.06601	3.0
72.08162	1.3
73.02922	1.2
81.03413	1.0
83.04971	1.8
84.04497	1.2
84.08158	1.1
85.02913	7.2
91.05465	1.1
93.03401	1.6
93.07030	0.9
95.04964	2.4
95.08601	0.6
97.02892	2.5
98.97571	0.9
99.04484	0.7
103.03972	0.7
105.03403	0.5
107.04939	0.6
109.02850	0.7
111.04449	1.9
112.07607	2.0
119.04953	4.8
120.08139	0.8
123.04436	60.9
124.04803	0.6
127.03918	2.0
128.88799	0.6
129.10268	0.6
135.04445	1.2
136.07555	0.6
137.02356	0.8
137.05954	1.0
139.03908	100.0
140.07083	0.9
143.04944	0.9
145.04993	1.0
147.04425	18.8
151.03902	3.9
153.05478	1.1
154.06255	0.5
161.05980	5.0
162.54837	0.5
163.03925	5.0
165.05492	15.6
165.06883	0.8
169.05037	1.5
175.04048	0.7
177.05513	1.9
179.07034	2.5
181.04962	1.8
189.05531	1.7
201.53912	0.6
205.04922	1.6
207.06516	5.2
235.06006	0.8
273.07611	2.2
279.80139	0.6
283.08124	1.0
291.08643	34.3
301.09335	1.0
315.08606	0.8
330.44510	0.6
357.09784	0.8
445.02829	0.6
453.13821	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1391
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02377	0.5
53.03939	1.7
55.01859	0.9
57.03425	1.8
61.02923	2.5
64.67997	0.4
65.03932	1.5
65.94315	0.4
67.05490	1.8
68.99787	1.4
69.03427	7.0
70.06580	0.7
71.04984	1.1
71.55183	0.5
73.02906	1.4
79.05497	0.9
81.03422	3.4
83.04983	1.1
84.04496	0.6
84.08138	0.4
85.02907	23.0
87.04468	0.9
91.03942	1.5
91.05480	1.8
93.03413	0.9
93.07093	0.7
95.04971	2.0
97.02895	7.1
99.04460	1.5
102.97316	0.4
107.04961	1.2
109.02867	2.5
111.00854	0.6
111.04460	2.8
114.44991	0.4
119.04957	4.3
120.08098	0.5
121.06565	0.6
123.04432	52.9
124.04746	0.4
127.03903	5.4
135.04425	1.8
136.07603	0.7
137.05977	2.1
139.03905	100.0
140.04312	0.5
145.04926	3.2
145.05983	0.4
147.04411	14.4
147.05525	0.9
151.03905	4.4
153.05467	2.7
161.05992	2.3
162.05609	0.4
163.03885	2.8
163.07353	0.5
165.05478	16.5
165.06892	0.8
169.04979	1.1
177.05507	1.2
179.07022	1.2
181.04935	1.5
189.05399	2.1
189.58861	0.5
195.40654	0.4
205.05034	0.6
207.06541	2.3
217.36412	0.5
231.06557	1.0
273.07562	5.4
291.08643	18.0
301.09207	0.7
315.08777	0.7
453.13812	1.0
453.19565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.2
55.01846	10.3
55.05505	19.4
57.03444	10.4
59.04993	6.9
67.05501	38.7
69.03434	27.2
69.07063	19.7
69.57127	14.0
69.57539	29.7
71.04995	6.4
78.24143	6.5
79.05487	23.8
81.03399	33.5
81.07060	100.0
82.07365	6.0
83.04990	7.9
83.08593	6.4
85.02905	27.8
87.04465	7.1
91.05489	25.9
93.07053	50.9
95.04978	15.6
95.08613	89.1
97.02892	42.0
97.06548	16.4
97.10176	10.1
99.04449	11.7
103.05523	7.4
105.07049	40.0
107.08600	50.1
109.02856	9.6
109.06535	46.2
109.10159	50.9
111.04457	9.3
111.08101	6.2
113.05958	7.0
119.08589	16.7
121.06530	9.2
121.10159	21.9
122.74226	6.1
123.04469	9.1
123.08078	17.9
123.11710	80.3
125.05972	6.1
125.09618	11.1
127.03899	19.7
131.04929	8.5
131.08560	16.1
133.06490	7.2
133.10130	26.2
135.07996	8.4
135.11707	20.5
137.05960	41.3
141.09093	20.1
143.08623	7.8
145.10138	20.8
147.11714	17.2
149.06044	8.7
149.09624	15.8
151.07581	8.2
151.11189	50.1
153.12756	9.2
155.07033	9.8
157.10130	10.9
159.08185	7.6
159.11716	8.7
161.09619	10.9
163.11209	24.7
169.08635	13.6
169.12257	51.6
171.11708	7.0
175.11148	11.8
179.07050	11.0
181.12238	31.1
184.07365	16.9
187.09680	16.4
187.11237	12.5
189.12671	8.2
191.10684	7.4
193.12236	16.2
197.07971	6.3
207.13925	7.0
211.13301	6.7
213.12759	8.3
215.09207	34.3
229.12402	10.4
231.13823	7.5
235.13293	7.2
241.12276	9.0
245.16531	8.0
247.13329	16.4
259.13254	18.4
277.14401	49.1
295.15421	65.9
313.13000	8.8
313.16464	67.8
360.22552	17.3
372.04196	6.3
430.17734	6.0
434.26187	15.5
452.18744	9.7
452.26794	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	452.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68235	0.4
53.03951	0.8
55.05511	1.1
59.01357	0.4
61.22632	0.3
67.05507	0.9
69.03433	1.3
69.07065	1.2
69.85597	0.9
69.85983	0.9
74.33858	0.4
79.05499	13.7
81.03414	1.6
81.07063	62.0
83.04951	0.5
83.08636	1.4
85.02908	0.9
85.06533	0.5
86.09715	0.8
91.05483	0.6
95.04955	0.4
95.08622	0.8
99.08099	5.0
101.17528	0.4
104.10735	0.5
105.07059	0.5
107.08600	0.4
108.04483	0.5
109.06525	70.1
109.10174	0.9
110.06886	0.5
121.10153	0.5
127.03952	0.4
127.07584	1.4
129.88693	0.3
137.05991	0.9
141.09109	88.9
145.26437	0.4
155.07031	1.6
169.08612	100.0
170.08971	0.8
184.07214	0.4
187.09680	1.7
213.12837	0.6
300.82602	0.4
313.12784	1.4
331.13916	2.9
408.24466	0.6
452.17865	1.3
452.23837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01873	1.6
55.05519	4.9
57.03429	2.0
57.07080	1.3
57.31802	1.0
59.05011	1.7
61.02924	3.5
67.05507	10.0
69.03431	7.9
69.07076	5.7
69.89323	5.3
70.06594	2.4
71.04996	20.0
73.02898	1.4
79.05497	3.4
81.03428	6.7
81.07056	14.5
83.04988	3.1
83.08625	1.5
83.61957	1.0
85.02908	18.7
85.06548	31.1
87.00835	5.4
88.67565	1.1
91.05480	10.1
93.07048	7.7
95.04977	2.6
95.08604	5.2
97.02901	8.7
97.06547	4.0
99.04465	5.1
99.10738	1.1
105.01846	3.9
105.07042	11.3
107.08608	13.8
108.08939	2.2
109.02871	9.0
109.06519	4.5
109.10167	20.0
111.08099	3.8
113.06024	1.6
113.09683	1.2
118.06595	1.4
119.08596	3.0
121.10139	4.2
123.08086	3.0
123.11740	3.7
125.05994	2.4
125.09628	4.9
127.03931	12.2
127.07581	2.9
127.11200	3.9
131.08543	2.2
133.09122	2.0
133.10138	38.4
137.05959	2.1
141.09100	2.6
143.10722	5.2
145.04935	5.2
145.10167	2.0
147.11708	1.4
151.07573	3.6
151.11191	37.1
159.02898	2.0
163.05911	1.2
169.08670	2.9
169.12256	36.1
187.09686	4.7
187.13303	100.0
191.18222	1.2
201.16357	2.4
219.17445	2.5
230.15440	3.6
231.04964	2.2
237.18546	11.0
255.15909	2.4
258.82700	1.2
271.14340	1.2
272.14703	1.3
287.05508	2.9
288.05841	8.1
289.06097	5.4
290.06415	12.1
313.12701	2.3
347.29077	1.2
360.17923	1.4
399.16315	1.7
434.21863	1.4
452.18192	1.4
462.11725	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01871	2.4
55.05507	2.9
57.03434	2.6
59.04988	1.5
60.83413	0.9
62.06078	1.5
63.14064	0.9
67.05505	7.5
69.03438	7.3
69.07077	2.9
69.91809	4.9
70.06589	1.2
71.04991	14.2
72.08159	1.3
73.02925	1.1
79.05489	14.5
81.03416	6.0
81.07056	74.4
83.04996	5.9
85.02897	15.3
85.03368	1.6
87.00853	5.7
91.05481	4.3
93.07037	7.8
95.04970	3.0
95.08596	5.2
97.02895	4.9
97.06516	1.8
99.04432	4.7
100.07638	1.0
105.01843	5.4
105.07030	4.6
107.08594	19.9
109.02834	5.4
109.06519	3.3
109.10146	9.7
111.08078	1.6
113.06028	1.8
119.08549	1.1
121.10133	1.7
123.08099	2.7
123.11694	14.4
125.09620	2.3
127.03913	9.8
127.07522	1.0
127.11182	2.4
133.06529	1.1
133.10127	10.9
139.11186	2.1
141.09081	1.5
145.04955	3.5
151.11183	32.2
153.01985	0.9
159.02922	1.5
169.12244	100.0
187.13266	5.8
231.05078	3.2
249.06071	1.4
255.15854	1.5
417.17447	3.1
452.17941	1.2
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
53.03932	1.9
55.01866	4.3
55.05519	4.2
57.03428	1.7
59.05001	1.5
61.02916	1.6
62.06088	0.7
67.05499	2.9
69.03436	7.1
69.07079	3.4
70.06586	1.2
71.04997	10.7
71.55325	0.9
72.08173	0.9
73.02901	1.4
73.06561	1.2
79.05492	5.0
81.03425	5.1
81.07060	18.0
82.14134	0.6
83.04974	2.3
83.08633	3.8
84.04491	1.1
85.02912	13.6
85.06548	54.8
86.06065	0.8
86.09714	0.9
87.00835	5.2
87.04484	1.6
91.05476	1.8
93.07062	4.9
95.04956	1.7
95.08593	2.2
97.02893	7.9
97.06532	1.3
97.10178	14.6
99.04461	4.5
99.08092	2.2
104.07100	2.0
105.01866	4.0
105.07035	1.6
107.08596	6.8
108.08955	0.9
109.02898	4.0
109.06502	1.2
109.10181	5.9
111.08086	9.4
113.06015	35.9
117.01811	0.8
119.08665	1.1
121.10168	1.6
123.08056	0.9
123.11703	4.1
125.09638	47.0
127.03934	8.2
127.11201	1.6
129.01859	1.0
133.10097	3.3
137.05972	1.0
137.09572	0.8
143.10680	24.6
144.04767	3.1
145.05000	3.6
145.10136	1.1
150.07829	0.8
151.11186	7.3
153.01839	2.3
154.02199	1.8
159.02890	2.7
169.12251	100.0
184.31068	0.7
187.13301	30.3
219.17473	2.3
231.05046	1.0
237.18471	1.1
255.15872	0.9
272.09259	1.0
290.10352	0.9
298.13232	0.7
318.27786	0.7
452.18161	0.7
452.25555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96015	0.7
53.03949	5.4
55.01866	4.3
55.05510	1.5
57.03431	2.8
59.01366	1.2
61.02926	2.6
66.03433	0.8
67.05504	5.2
68.99802	0.9
69.03082	1.0
69.03436	15.7
69.07059	2.8
70.76290	1.6
71.05011	4.3
73.02939	4.3
79.05500	11.2
81.03433	14.2
81.07063	60.3
82.07429	1.0
83.04986	2.1
85.02912	34.2
85.06544	10.3
87.00836	14.7
91.03960	1.3
91.05478	3.7
93.07050	3.7
95.04958	1.5
95.08614	3.8
97.02905	17.5
97.06538	1.1
99.04468	8.8
99.08095	4.3
105.01873	11.0
105.07022	3.1
107.08586	4.6
108.04476	2.6
109.02888	15.6
109.06523	64.7
109.10161	25.3
117.01871	2.2
121.10151	1.5
123.08077	3.1
123.11742	5.9
125.09690	0.9
126.05547	1.3
127.03934	23.1
127.07566	24.9
129.01891	1.9
133.10138	11.2
141.09113	82.7
145.04985	9.8
146.99596	0.9
149.09653	1.8
151.07523	4.3
151.11206	14.5
155.07050	27.6
158.04919	0.7
159.02913	6.6
167.06970	0.9
169.08617	100.0
169.12248	26.1
170.08887	1.1
187.09669	56.9
187.13242	7.7
195.14262	0.7
211.13184	1.0
213.03941	1.3
230.06613	0.9
231.04970	4.1
249.06172	1.1
277.14429	0.9
310.86499	0.9
313.12854	1.9
452.18713	1.2
452.24533	0.9
454.47177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71766	2.2
55.05502	4.3
57.07080	19.9
59.55450	2.3
67.05495	3.5
69.07060	6.9
71.08630	13.8
72.00986	2.6
81.07053	7.5
83.08617	5.0
85.10160	7.7
91.05460	2.9
95.08591	9.0
97.10168	4.7
105.03392	10.8
109.10177	3.6
120.34093	2.6
123.11660	2.9
129.07002	4.7
131.08575	5.3
141.07074	4.2
143.08600	4.2
155.08545	4.1
157.06471	10.0
157.10167	2.7
159.08104	12.2
169.06505	3.0
171.08038	16.6
179.08565	4.2
180.09459	2.5
181.10121	7.0
183.08067	3.1
185.09651	21.1
187.07561	100.0
195.08002	3.7
195.11674	2.9
197.09622	11.3
198.06859	2.9
199.07545	14.4
199.11264	3.0
208.08929	5.0
209.09570	6.8
211.11177	6.0
213.09079	7.5
223.11299	5.5
225.09247	4.0
225.12720	6.0
227.10704	10.7
237.12790	3.9
241.12276	5.1
255.13887	4.7
258.78403	2.5
451.35779	68.1
451.41153	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3209
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
50.01833	0.3
53.03937	0.8
54.30938	0.3
55.01890	0.5
55.05274	0.3
55.05514	4.6
57.07065	1.1
59.04992	1.0
67.05507	5.4
69.03415	1.3
69.06721	0.6
69.07074	6.5
69.20651	3.4
71.04992	0.6
77.03896	0.3
79.05126	0.4
79.05505	4.7
81.07065	10.0
83.04977	1.1
83.08619	3.6
85.06522	0.5
90.22520	0.4
91.05481	5.4
93.07053	8.3
95.04967	1.0
95.08613	12.0
97.06541	2.9
97.10162	0.9
99.08091	0.7
103.71246	0.3
105.07037	9.2
107.08595	11.3
109.06556	2.1
109.10164	7.7
111.08082	3.9
113.09673	0.4
115.05447	0.5
117.07024	2.4
119.08590	12.4
121.06514	2.8
121.10153	8.6
121.11012	0.4
123.08084	3.8
123.11725	3.5
125.09631	1.9
128.06172	0.5
129.07007	2.0
130.07768	0.6
131.08572	7.5
133.10135	7.6
135.08080	2.7
135.11713	3.1
137.09631	3.6
137.13228	0.6
141.06947	1.0
142.07745	1.8
143.08566	6.8
144.09361	1.5
145.10138	10.4
147.08061	1.6
147.11696	6.9
149.09644	2.5
149.13263	2.8
151.11203	2.1
155.08578	2.8
156.09352	1.6
157.10146	9.3
158.10931	0.9
159.08133	0.9
159.11702	13.3
160.12550	0.4
161.09668	2.1
161.13271	5.1
163.11197	2.6
163.14845	0.8
165.06987	0.5
165.09142	0.8
165.12756	1.1
167.08620	1.1
168.09351	1.0
169.10132	6.7
170.10930	0.8
171.11700	7.9
173.09628	1.2
173.13274	10.7
175.11220	2.4
175.14839	2.2
177.12798	1.8
179.08537	1.5
180.09332	0.8
181.10126	3.6
182.10905	1.5
183.11719	6.8
184.12489	0.6
185.09616	0.8
185.13268	6.8
187.11223	1.8
187.14835	2.8
189.12737	1.8
189.16469	1.8
191.14363	1.0
193.10155	1.5
194.10925	1.3
195.11707	6.1
196.12480	1.5
197.09602	0.5
197.13280	6.6
199.11128	1.7
199.14812	4.8
201.12819	2.0
201.16432	1.6
202.33801	0.4
203.14345	1.1
203.17940	0.4
205.10226	0.5
205.15958	0.4
206.11034	0.9
207.11713	3.6
208.12502	1.3
209.13269	7.2
210.14069	0.7
211.11192	0.8
211.14842	5.2
212.15594	0.5
213.12846	2.4
213.16374	3.7
215.14326	3.1
215.17934	0.7
217.12271	0.5
217.15901	1.9
219.11685	1.0
219.13661	0.5
220.12486	0.7
221.13329	3.7
222.14073	0.7
223.14827	10.5
224.15552	0.8
225.12811	1.0
225.16391	9.6
227.14383	3.0
227.17973	1.6
229.15901	2.1
232.12550	0.7
233.13271	1.0
234.13994	1.0
235.14841	3.3
236.15607	0.5
237.12732	0.9
237.16354	2.7
239.14285	1.4
239.17976	1.9
241.15967	1.6
243.17455	1.6
245.13174	0.5
246.14049	0.6
247.14839	1.8
247.17075	0.4
248.15654	0.6
249.16420	4.3
250.17288	0.5
251.14267	0.4
251.18024	3.8
253.15794	1.7
253.19554	1.3
255.17401	2.8
255.21051	1.1
257.19125	0.5
259.14798	0.5
261.16479	1.7
262.17227	0.8
263.14301	0.7
263.17957	2.6
265.15906	1.0
265.19507	2.2
267.17545	1.8
267.21060	1.1
269.19110	1.7
271.20508	0.4
273.16269	0.5
274.16922	0.5
275.18018	1.1
276.18915	0.7
277.16220	0.7
277.19492	0.8
279.17499	1.9
279.21100	2.6
281.19131	1.4
281.22723	1.1
283.20593	1.4
285.18585	1.4
285.21817	0.5
287.17673	0.5
289.19559	1.0
290.20444	0.4
291.17691	0.6
291.20993	5.4
293.19040	1.3
293.22406	0.7
295.20618	1.4
296.21445	0.4
297.18823	0.6
297.22095	6.7
303.21078	0.6
307.20673	2.0
307.23734	0.5
309.18896	0.7
309.22119	17.4
317.22604	0.5
319.20517	0.4
321.22113	1.0
321.25885	1.0
323.23752	0.7
325.21829	2.6
327.23215	25.7
329.22635	0.8
331.20605	0.6
331.24216	1.6
333.22116	1.2
333.26062	0.7
335.23788	0.9
337.21707	0.4
337.25272	0.6
345.22253	0.6
347.23773	1.0
349.21454	0.5
349.25421	2.6
351.23196	0.8
353.21149	0.5
359.23557	0.4
363.23111	1.2
365.24683	0.7
375.26865	1.2
377.24619	0.6
385.28918	0.6
387.31015	0.5
393.27133	1.7
393.32123	0.8
397.29120	0.9
403.30035	4.2
405.27097	0.7
405.31918	1.7
415.29987	7.1
421.25229	0.6
421.31012	16.7
423.32901	3.0
433.31061	22.2
434.31357	0.4
451.32108	100.0
452.32541	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	451.3207
Annotation	Erythrophyllic acid
Peak:m/z	Relative Intensity
53.03955	0.8
53.33736	1.0
55.05508	5.4
67.05513	7.1
69.06779	0.9
69.07073	10.1
69.52418	2.6
69.52837	3.9
71.05003	1.1
73.88979	0.9
75.68194	0.9
75.96142	1.0
79.05480	4.7
79.86372	0.8
81.07061	11.4
83.04955	1.7
83.08617	6.8
85.20565	0.9
85.90904	0.9
91.05473	5.3
93.07044	12.9
95.08614	12.1
97.06516	2.9
97.10152	2.0
99.08083	3.6
105.07036	8.5
107.08602	13.4
109.06570	1.1
109.10161	12.6
110.93152	0.9
111.08088	2.8
114.38953	0.8
117.52588	0.9
119.08585	12.5
121.06505	1.2
121.09334	1.0
121.10149	12.6
123.08099	6.2
123.11678	3.9
125.09660	2.7
128.06178	1.3
129.06976	1.8
131.08591	6.0
133.10110	7.7
135.08025	1.5
135.11685	3.2
137.09586	4.8
142.07800	3.6
143.08575	7.8
144.09422	1.1
144.10765	1.0
145.10123	11.7
147.08028	0.9
147.11678	7.4
149.09641	3.1
151.11211	1.3
155.08516	3.0
156.09346	3.6
156.36349	0.9
157.10133	22.1
158.10948	1.9
159.11703	12.6
161.13284	2.7
163.11153	2.3
163.14828	2.2
165.12756	1.8
168.09369	1.7
169.10114	9.6
170.10931	2.0
171.11693	13.3
172.12454	6.9
173.13292	6.7
175.11176	2.5
177.12709	1.4
181.10144	2.4
182.10916	1.5
183.11705	12.5
185.13246	16.7
187.11272	1.4
187.14867	2.8
189.12762	2.0
191.14317	2.0
193.10121	3.5
194.10924	1.8
195.11690	6.4
196.12622	1.5
197.13289	10.7
199.11115	1.4
199.14812	5.3
201.12804	4.4
201.16412	1.0
203.14375	1.5
206.10880	1.6
207.11732	3.7
207.13724	1.6
208.12521	1.8
209.13252	12.8
210.13976	1.5
211.11223	0.9
211.14832	12.8
213.12802	0.9
213.16411	3.1
215.14262	0.9
221.13266	3.9
223.14832	20.1
224.15559	1.7
225.12836	1.0
225.16405	6.9
227.14354	3.3
229.15843	1.5
233.13319	1.2
234.14059	0.9
235.14825	3.7
237.16377	3.9
239.14299	1.5
239.17953	2.1
241.15858	1.8
243.17438	5.9
249.16406	3.1
251.18079	3.2
253.15889	3.1
253.19550	2.1
255.17560	3.8
257.18997	1.5
263.17957	1.1
267.17398	3.6
267.20984	2.4
269.19006	6.7
271.20599	2.6
276.18857	0.9
277.19482	2.0
279.20990	1.4
281.19003	1.9
283.20740	1.2
289.19583	1.1
291.21130	4.7
294.19724	1.0
295.20532	18.7
296.21237	1.5
297.22092	7.5
299.20035	1.0
307.20602	4.6
309.22125	58.7
310.22949	2.1
311.23816	1.2
319.24213	1.8
327.23212	5.5
335.23837	1.9
347.23770	2.5
353.25027	1.1
365.24774	3.7
377.24835	1.1
381.24210	6.3
393.27695	1.1
405.31436	5.3
415.29956	2.8
423.32565	1.1
433.31018	18.4
451.32086	100.0
452.32181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3223
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
50.34215	1.5
53.03927	2.9
55.01863	2.9
55.05298	1.4
55.05516	12.9
57.03444	1.8
57.07061	4.8
65.03938	2.1
67.05226	1.6
67.05510	18.4
69.03429	4.0
69.07072	21.6
71.04993	1.5
71.08674	1.6
74.68116	1.8
79.05504	11.7
81.07063	27.8
82.52551	1.4
83.04976	5.8
83.08621	6.6
85.06568	1.6
87.87041	1.7
88.34405	1.4
89.06043	2.4
91.05487	53.0
93.07053	26.5
95.04965	4.0
95.08057	2.4
95.08614	33.5
97.06520	3.6
97.10180	3.3
105.06393	3.1
105.07043	40.6
107.04975	2.3
107.08600	36.5
109.06523	5.6
109.10162	25.4
109.83053	1.4
111.08080	4.3
113.00041	2.8
115.05454	1.7
117.07023	14.4
119.08588	68.6
121.06494	6.1
121.10150	29.8
123.08074	8.4
123.11689	3.8
125.09638	7.4
128.06221	5.9
129.07011	12.5
130.07784	2.4
130.63187	1.6
131.08575	24.3
131.60669	1.4
133.06497	1.7
133.10141	45.7
135.08060	27.5
135.11690	9.8
137.09619	22.4
137.10614	2.5
137.13330	1.8
141.06995	4.5
142.07790	12.7
143.08569	25.4
144.09337	3.0
145.10132	50.1
147.08054	5.4
147.11697	24.7
149.09642	21.5
149.13275	6.0
151.11159	2.7
155.08540	7.7
156.09334	5.5
157.10135	37.4
158.10936	3.2
159.08020	3.5
159.11684	25.3
161.09624	13.2
161.13243	11.6
163.11183	6.3
165.07034	1.8
167.08566	3.6
169.10150	9.8
170.10895	2.3
171.11697	20.7
173.09642	5.7
173.13297	18.6
175.11172	13.5
175.14798	9.5
177.12775	4.2
177.16408	2.4
179.14458	1.7
181.10124	5.0
182.10916	2.0
183.11700	10.8
184.12445	4.8
185.13272	14.9
187.11195	4.7
187.14854	16.4
189.12779	10.0
189.16379	18.5
191.14281	2.3
195.11658	8.8
197.13298	11.7
199.11198	3.1
199.14844	25.6
201.12749	4.7
201.16385	12.8
203.14288	10.9
203.17899	3.5
205.15935	4.8
207.11702	2.8
209.13263	4.8
211.11122	2.1
211.14854	5.9
212.15652	2.2
213.12747	6.6
213.16338	11.5
215.14340	10.9
215.18013	6.8
217.13832	2.9
217.15894	45.7
221.13316	2.8
223.14854	5.1
225.16466	5.4
227.14363	2.3
227.17978	5.6
229.15862	10.3
231.17436	9.8
235.14853	2.2
237.16394	3.5
239.18001	1.9
241.15962	4.7
241.19508	2.4
243.17415	2.4
251.18033	3.5
253.15829	4.3
253.19656	4.5
255.17447	6.6
255.21112	7.5
265.19580	3.8
267.17416	1.8
267.21170	1.8
269.19064	3.8
269.22821	2.0
277.19461	1.8
279.21002	3.0
281.18866	4.3
283.20667	14.1
293.22574	2.7
295.20645	2.3
297.22079	5.3
307.20587	4.3
309.22272	4.9
321.22198	4.9
329.22879	2.0
333.22092	2.4
339.23242	7.3
339.27960	4.8
347.23734	2.5
363.26920	1.8
365.24841	2.4
381.27652	2.2
405.31531	16.3
415.30109	15.5
415.35208	2.6
421.31027	4.2
423.32605	9.8
433.31061	100.0
451.32092	96.6
452.32364	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	451.3209
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
53.03946	2.3
55.05511	16.4
57.07073	2.6
58.64498	1.9
59.04999	4.6
59.14913	1.9
67.05513	23.0
69.03427	8.0
69.07082	18.4
69.42129	8.8
69.42545	7.5
74.89713	2.2
79.05497	18.1
81.07067	33.3
83.04995	13.8
83.08633	9.9
89.06037	3.0
91.05494	37.6
93.07047	27.7
95.04979	5.3
95.08614	41.0
97.06535	2.7
97.10174	4.3
98.21465	5.0
102.18126	2.2
105.07034	36.5
107.04974	3.4
107.08614	40.5
107.09315	4.1
109.06550	12.2
109.10152	20.5
111.08097	5.6
117.07021	10.9
119.08592	47.5
121.06495	10.5
121.10155	18.0
123.08064	11.4
123.11719	5.4
125.09640	11.9
128.06258	3.8
129.07057	9.6
131.08571	21.4
133.10129	32.5
135.08069	15.2
135.11699	6.0
137.09610	19.2
141.07014	4.2
142.07805	8.1
143.08583	19.2
144.09357	3.2
145.10132	36.9
147.08145	4.4
147.11719	23.4
149.09631	15.8
149.13266	5.6
155.08583	9.6
156.09334	2.9
157.10144	29.3
159.08061	5.1
159.11711	20.1
161.09630	8.3
161.13315	5.5
163.11169	4.9
167.08652	2.7
168.09422	2.7
169.10153	8.1
171.11700	16.1
173.09673	6.5
173.13321	15.3
175.11198	7.4
175.14857	7.9
177.12793	4.5
181.10158	7.0
182.10977	3.2
183.11703	9.8
185.09663	2.4
185.13275	12.2
187.11214	7.2
187.14861	16.1
189.12825	3.7
189.16423	8.9
191.14339	4.4
195.11777	8.4
196.98608	2.2
197.13289	13.1
199.11258	2.9
199.14832	16.7
201.12840	7.1
201.16440	10.4
203.14383	6.2
203.18085	2.4
205.16016	3.3
209.13298	7.5
211.14879	6.0
213.12866	4.9
213.16452	7.8
215.14368	12.5
215.17978	4.6
217.15883	21.0
221.13377	2.8
223.14827	6.9
225.12923	2.8
225.16457	6.1
227.14417	4.2
227.17906	5.4
229.15952	6.9
231.17487	5.8
237.16446	3.4
239.14484	3.4
239.17975	3.9
241.15895	4.2
243.17419	3.2
251.18053	5.3
253.15900	4.6
253.19615	2.6
255.17412	4.7
255.21222	3.8
265.19717	2.6
269.19016	5.6
271.20651	4.9
281.19116	5.0
283.17694	2.4
283.20459	10.5
289.21429	2.3
293.22577	3.2
297.22089	3.3
309.22089	15.1
311.23569	4.1
321.22183	6.9
327.23227	10.0
339.23203	13.8
365.24698	4.2
405.31348	10.7
415.30011	9.0
423.32614	8.2
433.30984	52.9
433.36603	3.5
451.32141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3209
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
55.01875	0.8
55.05517	4.1
57.07088	3.2
59.04991	1.8
65.03951	0.6
67.05511	4.6
69.03418	1.3
69.07068	3.5
71.05003	1.2
79.05499	3.8
81.03405	0.6
81.07056	5.7
83.04979	1.9
83.08623	1.2
85.02895	1.1
85.06567	0.5
91.05479	4.1
93.07061	6.0
95.04967	2.4
95.08614	6.9
97.02839	0.4
97.06534	1.8
97.10194	1.0
99.04444	1.0
103.05500	0.5
105.03381	0.7
105.07036	7.5
107.04948	1.8
107.08608	6.4
109.06538	1.1
109.10172	5.9
111.08094	1.3
113.09676	0.5
115.05456	0.9
117.07025	2.6
119.08590	9.1
121.06502	1.0
121.10161	4.9
123.08070	1.0
123.11714	1.3
125.05905	0.5
125.09634	0.5
128.06236	1.7
129.07005	3.3
130.07813	0.7
131.08572	5.6
133.06558	0.5
133.10138	9.9
135.08055	0.6
135.11703	3.0
137.09653	0.7
139.07552	4.4
141.07034	1.5
141.09088	0.6
142.07773	2.9
143.08569	11.1
144.09326	0.7
145.10123	8.2
147.08095	1.1
147.11702	4.2
149.09657	1.2
153.06987	1.0
154.07867	0.7
155.08582	3.5
156.09383	3.6
157.10144	14.4
158.10815	1.1
159.08115	0.7
159.11696	7.7
161.09683	1.3
161.13242	2.1
163.11209	1.3
165.07033	0.8
165.09224	0.5
166.07858	0.6
167.08571	1.2
168.09329	0.8
169.10147	6.0
170.10910	3.2
171.08083	1.0
171.11702	10.6
171.13158	0.8
172.12355	0.7
173.09708	1.6
173.13272	6.3
175.07521	1.1
175.11200	1.1
175.14864	2.1
178.07820	0.6
179.08586	1.3
180.09416	0.7
181.10178	3.0
182.10942	1.3
183.11716	8.5
184.12444	1.6
185.09708	0.9
185.13277	14.4
186.13995	0.9
187.11118	0.7
187.14854	3.4
191.08604	0.8
192.09392	0.7
193.10178	2.0
193.12090	0.9
194.10907	0.8
195.11711	4.7
196.12476	1.6
197.13275	7.8
198.13991	1.2
199.11218	1.7
199.14836	11.8
201.12733	0.6
201.16397	3.9
203.08450	0.5
203.17902	0.7
205.10164	0.6
206.10933	1.1
207.11800	2.3
207.13629	0.5
208.12480	1.4
209.13255	4.7
210.14091	1.2
211.11186	1.1
211.14836	4.1
213.12759	1.6
213.16335	2.2
215.17952	0.7
217.15910	0.8
218.10815	0.6
219.11700	1.6
219.17403	0.7
220.12456	0.7
221.13260	3.0
222.14076	0.8
223.14844	4.2
224.15590	1.0
225.12933	0.8
225.16414	5.8
226.17041	0.6
227.17960	3.5
231.11780	1.0
232.12558	0.9
233.13283	1.5
234.14075	0.7
235.14804	3.6
237.16428	4.9
238.17261	0.9
239.17969	4.7
240.18622	0.9
241.12270	0.5
241.15991	0.6
241.19562	1.3
243.11797	0.6
243.17513	0.8
244.12498	1.0
245.13220	1.2
245.15459	0.6
246.14191	0.9
247.11363	0.5
247.14839	2.3
248.15526	1.0
249.16457	3.5
250.17239	0.9
251.17976	4.6
252.18706	1.6
253.19542	2.5
255.21048	1.7
258.14120	0.9
259.14890	1.4
260.15591	0.6
261.16397	1.5
263.17941	2.8
265.19495	2.4
267.17401	0.6
267.21063	1.3
269.18954	0.5
269.22626	0.6
271.15030	0.6
273.16403	0.9
273.22266	0.6
275.17944	1.7
277.16302	0.5
277.19388	2.3
278.20190	0.6
279.21036	6.9
285.16400	0.7
287.14270	0.7
287.17902	0.7
289.19632	1.1
290.27039	0.5
291.17709	0.9
291.21091	2.2
292.22083	0.5
293.19443	0.6
293.22650	6.5
294.23447	5.5
295.20935	0.7
295.24228	3.9
301.19614	0.7
303.21109	0.8
305.19171	0.9
305.22565	1.1
309.22220	1.3
311.23755	0.9
315.17554	0.7
317.22534	0.8
319.24115	2.1
320.25198	0.5
321.18500	0.7
321.22174	1.0
321.25864	1.7
323.20142	0.9
331.16730	0.6
333.25830	1.9
335.20126	0.7
335.23694	0.5
336.24506	0.9
337.21686	0.8
337.25290	1.0
347.23584	0.7
349.17950	0.8
351.23190	0.7
351.27087	0.7
359.16528	0.7
361.25272	3.3
363.23245	0.7
365.24979	0.8
373.17700	0.7
377.17499	1.4
377.24976	0.9
379.26352	3.3
381.24033	0.7
391.19006	1.3
391.26440	0.6
393.27924	36.5
394.28491	0.7
401.17776	0.6
415.29831	0.9
419.18848	1.1
433.21124	0.9
433.25076	0.6
433.31061	22.9
451.21347	9.6
451.32108	100.0
452.21500	0.6
452.32330	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	451.3208
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03930	0.9
55.05516	9.8
57.03428	0.6
57.07091	0.9
67.05504	2.8
69.03432	0.7
69.07076	3.0
69.36365	4.6
69.52145	0.6
71.04989	0.6
79.05491	2.1
81.07048	3.9
83.04984	46.2
83.08610	2.1
86.23522	0.6
89.06012	0.6
91.05473	3.3
93.07038	3.6
95.08614	4.5
97.06536	0.9
97.10175	0.7
105.07028	5.0
107.08591	6.6
109.06508	1.7
109.10159	4.5
111.08092	0.8
113.00002	1.4
117.07042	2.0
119.08574	4.6
121.10164	4.2
123.11710	2.2
125.09655	1.3
128.06241	0.7
129.07019	0.9
131.08572	5.2
133.06483	0.6
133.10115	4.8
135.08014	0.9
135.11676	4.4
137.09593	0.7
141.07025	1.0
143.08568	2.9
145.10124	6.1
147.08130	0.7
147.11681	2.1
149.09665	1.1
149.13287	0.8
153.06998	0.7
155.08554	4.1
156.09378	0.7
157.10121	4.6
159.11696	4.0
161.09729	0.7
161.13412	0.6
167.08624	0.9
168.09366	0.8
169.02632	0.7
169.10127	3.1
171.11690	4.2
173.09601	1.8
173.13269	2.6
175.11171	1.0
179.08589	1.0
181.10144	1.6
182.11017	0.7
183.11629	3.6
185.09698	1.0
185.13225	2.6
187.11182	1.3
187.14815	7.2
189.12729	0.9
193.10126	1.6
194.10915	0.8
195.11711	3.0
196.12625	0.9
197.09502	1.0
197.13193	4.0
199.11220	1.2
199.14861	1.6
201.12801	1.3
201.16447	1.1
206.10873	1.4
207.11708	4.9
209.13341	3.0
211.14903	3.2
213.12856	1.6
213.16406	0.9
215.14301	0.7
219.11705	0.7
220.12462	0.7
221.13263	4.2
223.14876	3.1
225.12732	4.7
225.16376	1.6
227.14424	1.1
227.18016	0.6
233.13124	0.8
234.14212	0.6
235.14859	2.2
237.16338	2.4
239.14330	5.0
239.17952	1.4
241.15955	2.1
241.19386	0.6
248.15703	0.5
249.16464	1.7
251.14301	1.6
251.18158	0.8
253.15916	4.2
253.19595	0.7
255.17424	4.1
261.16449	0.7
263.17850	0.6
265.19681	0.7
266.16702	2.6
267.17410	2.2
267.20172	0.6
277.19626	0.9
279.17444	1.7
281.22742	0.7
291.21066	5.5
293.22635	1.0
294.19998	0.7
297.22000	0.8
305.22787	0.7
309.22128	24.7
311.23642	1.8
327.23105	3.1
337.25296	0.8
339.28976	1.1
347.27365	1.7
351.26596	0.6
365.28436	5.4
367.26083	1.1
367.30072	4.3
405.31464	2.1
423.32382	2.9
433.30960	2.5
451.32092	100.0
452.32446	1.6
473.54144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	13.7
55.05502	6.1
55.69604	4.2
65.03925	7.0
67.05511	26.0
69.03435	30.5
69.07055	7.8
69.39693	29.5
69.40095	7.7
70.06579	6.8
79.05499	47.7
81.03417	34.0
81.07061	35.2
83.04969	8.2
91.05482	61.2
92.58458	4.4
93.06582	4.2
93.07058	57.2
95.04976	56.6
95.08631	29.6
97.06490	6.5
100.84570	4.6
103.05482	6.2
105.07037	60.5
107.04953	24.5
107.08592	49.4
109.06544	29.0
109.10170	10.3
115.05454	9.6
117.07045	31.5
119.04893	8.9
119.08578	51.4
121.06517	82.3
121.10163	39.8
123.08044	16.7
128.06218	19.0
129.07018	26.0
131.04947	7.8
131.08586	46.8
133.06470	15.5
133.10129	42.6
135.04445	6.0
135.08060	100.0
137.06009	5.1
141.07002	13.0
142.07799	10.7
143.08578	38.3
144.09377	9.0
145.06454	27.5
145.10110	31.4
146.07220	10.6
147.08060	54.2
147.11693	15.8
149.02342	20.6
149.05959	6.3
149.09624	17.8
150.02686	9.0
151.07567	6.2
155.08522	19.3
156.09340	13.1
157.06551	7.0
157.10123	42.2
158.07304	6.4
159.08052	47.6
159.11693	25.1
161.08455	7.6
161.09651	73.7
163.07539	8.4
163.11111	6.4
165.06975	12.6
165.09184	5.1
166.07784	6.1
167.08554	14.3
168.09393	6.8
169.10207	29.6
170.07137	5.8
171.08046	20.4
171.11705	41.3
172.08803	8.2
173.09634	50.0
173.13330	6.1
175.07532	7.7
175.11137	19.1
177.09100	14.0
179.08493	8.8
181.10136	13.6
182.11023	6.1
183.08092	10.5
183.11638	20.7
184.08772	5.9
185.09668	53.6
185.13196	22.3
187.07556	9.0
187.11182	29.4
189.09085	14.0
189.12767	16.7
192.09335	7.3
193.04953	19.6
193.10129	12.2
194.05334	8.5
194.10974	6.8
195.11679	20.3
197.09627	22.8
197.13290	19.8
199.11188	50.6
199.14856	5.9
201.09059	13.0
201.12714	17.3
203.10547	8.6
207.11620	14.6
209.09604	12.1
209.13231	14.2
211.11182	22.7
213.09212	5.9
213.12837	30.6
215.10687	16.7
215.14293	54.1
219.11769	9.3
221.13176	9.7
222.10193	7.3
223.11119	17.7
225.12723	21.8
227.14325	38.0
229.12225	6.5
233.09560	5.9
233.13228	8.7
235.11320	5.7
235.14711	7.6
237.12752	21.2
239.14304	18.5
243.13776	14.0
249.12769	11.4
250.13380	6.4
251.14375	24.2
255.13866	7.9
257.15436	11.4
261.12796	9.4
261.16519	5.5
263.14233	6.7
265.15839	16.6
266.16681	29.5
267.17502	5.5
275.14383	8.5
277.15991	9.9
279.14175	8.2
279.17441	30.4
283.16986	13.3
284.29431	6.3
285.29822	10.1
289.15808	5.2
291.17416	6.7
293.19131	5.1
297.18524	8.4
317.15393	7.6
317.18979	6.9
331.16788	10.7
345.18512	6.3
345.22275	6.9
359.16168	9.2
363.22995	9.2
373.17606	7.7
373.21710	85.1
377.17505	7.1
391.22845	96.1
409.23822	22.0
415.22458	20.4
419.18283	4.6
433.23877	9.7
451.20932	36.3
451.25528	19.4
451.32422	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12028	2.3
55.05536	2.1
57.07111	1.8
59.05000	8.2
59.05272	2.0
67.05484	4.2
69.03433	8.2
69.07066	2.2
69.28490	5.6
69.28898	12.9
71.04996	27.6
72.02275	1.9
72.08315	1.9
77.38326	2.0
79.05489	11.0
81.03413	8.8
81.07058	39.7
83.08644	2.4
85.02917	7.6
85.06573	1.9
86.09740	3.0
91.05484	3.2
93.07033	14.6
95.04952	2.8
95.08611	12.9
97.02880	8.2
97.06529	11.8
99.04461	2.5
105.07008	6.5
107.04894	1.9
107.08601	15.6
109.02914	9.9
111.08073	4.1
119.08580	2.7
121.10151	100.0
123.08105	3.1
123.11712	23.6
125.06017	15.7
125.09644	20.4
127.03926	17.8
129.09119	3.5
131.08517	2.6
137.05998	16.3
137.09570	2.3
139.11192	26.4
143.10695	13.1
145.04984	3.4
149.09639	16.4
164.07104	4.0
167.10701	52.5
185.11754	43.4
185.13417	2.9
203.12909	1.9
206.59042	2.0
227.12790	5.1
229.12476	2.2
239.12730	3.8
245.13820	2.7
251.12773	3.2
275.12677	2.9
287.05487	3.5
288.05890	5.2
289.06055	6.1
293.13791	13.1
310.31104	2.0
311.14914	24.4
314.20996	2.0
329.15982	72.2
347.17047	17.6
362.42355	1.9
376.05286	2.1
433.20602	8.8
451.11932	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85441	4.9
76.52608	0.9
76.73031	0.9
85.02919	2.0
95.68526	0.9
98.21449	1.3
101.26086	1.0
114.74785	0.9
116.07074	1.2
143.00183	1.6
161.01236	1.1
187.04559	1.4
191.45747	0.9
245.05112	1.5
282.03152	1.0
388.29230	1.0
451.04953	100.0
451.12149	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	451.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.01865	3.5
55.05501	2.8
57.03413	2.3
57.07069	3.9
59.05000	5.3
67.05500	4.9
68.79363	1.7
69.03448	10.4
69.07058	3.8
69.28800	16.8
71.04991	24.6
73.98880	1.8
75.50617	1.8
78.64972	2.1
79.05506	13.2
81.03410	10.2
81.07061	42.3
83.04990	2.4
83.08630	3.4
85.02916	10.8
85.06570	2.2
85.12225	1.7
91.05466	5.6
93.07050	11.2
95.08587	13.3
97.02914	11.8
97.06537	9.4
99.04465	5.3
105.07030	5.3
107.04949	2.7
107.08575	16.9
109.02892	10.7
109.06515	3.3
111.04429	2.8
111.08100	3.1
113.09634	3.5
119.08590	4.2
120.08111	4.1
121.06497	2.7
121.10152	100.0
123.08055	4.7
123.11709	26.0
124.07568	2.0
125.05993	16.2
125.09644	18.0
127.03916	17.7
129.09145	4.1
131.04929	2.2
137.05998	25.1
139.11177	27.2
143.10689	15.7
149.09619	14.3
164.07124	4.4
167.10687	53.0
185.11742	48.8
214.94295	1.6
227.12764	5.6
245.13875	2.4
251.12865	4.8
260.55695	1.7
268.54562	2.3
275.12790	2.2
287.05612	4.9
288.05859	4.4
289.06015	7.1
293.13882	12.1
311.14911	26.3
329.15942	72.9
347.17050	20.4
433.20953	9.4
451.12051	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	450.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14193	3.0
53.03936	3.6
53.29883	2.7
57.03431	3.6
63.60818	2.6
64.01694	2.8
65.52002	2.5
67.05517	3.3
69.03437	13.8
69.41957	6.7
69.42357	17.6
71.26163	2.8
75.04475	6.2
79.05502	16.8
80.20661	3.1
81.03396	11.4
81.07057	6.6
83.04945	3.3
85.02900	8.9
91.05476	8.6
93.06477	6.0
93.07044	86.5
95.04988	4.4
95.08561	3.7
97.02881	9.1
105.07057	5.7
107.08594	19.2
109.02869	6.9
111.08085	3.7
119.08542	13.5
121.06496	3.6
121.10150	100.0
121.11022	5.2
123.11703	5.4
127.03889	6.4
131.08543	7.5
133.07617	2.6
139.11191	5.4
149.09612	37.8
163.11292	3.1
167.10683	32.0
275.12921	2.9
293.13742	12.7
311.14883	36.1
329.15732	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	450.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
54.63134	0.4
69.03429	1.4
70.06599	0.9
70.79446	0.6
70.79757	0.7
75.04457	0.6
81.03418	1.5
81.07045	0.9
83.04997	0.4
85.02915	4.1
85.06534	0.5
86.09700	0.6
87.00842	1.4
91.05515	0.7
93.07048	0.5
95.01323	0.8
95.04954	0.7
95.08588	0.5
97.02888	1.4
99.04480	0.8
100.07639	0.7
105.01860	1.4
108.69688	0.4
109.02896	1.9
110.03676	3.4
111.04469	0.5
115.03966	0.4
119.08605	0.6
121.10136	0.5
121.19566	0.4
123.04491	0.9
123.08086	0.6
123.11670	0.4
125.06001	20.8
125.09633	0.4
127.03912	4.0
139.03923	3.4
145.04971	1.2
147.04538	0.5
153.05478	44.4
154.06258	13.8
154.07251	0.3
155.07011	0.5
156.04146	0.5
159.02885	0.7
167.07079	0.6
170.05779	2.9
185.08104	100.0
186.08455	0.8
189.03889	0.4
209.08113	2.0
215.53581	0.4
227.09145	2.6
231.05048	1.1
235.16949	0.7
251.09241	1.3
275.09125	1.0
293.10138	1.4
397.11435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42227	3.3
55.05506	20.7
57.07077	28.0
62.24123	2.5
67.05508	24.9
69.07069	47.3
71.08635	22.0
79.05498	9.2
81.07061	52.2
83.08614	25.4
85.06543	10.8
85.10181	10.5
86.53922	2.6
91.05520	5.6
93.07066	23.9
95.08609	66.0
95.29675	2.8
97.10179	19.3
98.20725	6.5
99.08096	7.9
105.03387	5.0
105.07023	8.3
107.08591	25.1
109.10162	39.3
110.94073	2.8
111.11742	14.1
112.24778	3.2
113.09650	2.7
119.08532	6.6
121.10149	23.4
123.08047	4.4
123.11706	21.8
125.13252	3.0
133.10130	9.0
135.11670	18.4
137.09621	3.7
137.13269	7.6
139.14830	3.4
141.09100	3.9
145.10097	4.2
147.11699	8.2
149.13271	10.0
151.14786	4.0
155.10690	4.7
157.08604	6.7
159.08093	2.8
159.11713	4.0
161.13280	10.6
163.14830	14.3
168.16145	2.5
171.07974	3.9
175.14850	4.7
177.16391	8.2
179.08586	3.1
181.12180	4.8
182.07230	2.9
186.08710	3.1
187.07541	44.5
203.18028	5.5
209.15460	3.6
211.07602	18.2
211.59033	2.8
216.44484	2.9
217.19460	4.4
221.15245	2.7
225.09103	100.0
239.10728	4.8
259.24011	3.3
263.20135	3.6
263.22943	3.0
289.28772	5.2
317.32031	6.2
357.35150	6.1
431.38776	25.2
449.34256	36.9
449.39694	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	449.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.6
53.52825	3.2
55.01854	4.2
55.05497	9.9
55.36400	3.4
62.29464	3.2
62.53564	2.9
65.03944	4.6
67.05490	12.4
69.03414	9.2
69.07059	9.4
79.05138	3.5
79.05498	36.2
81.07059	71.5
87.04448	3.5
90.03664	3.2
91.05494	24.0
92.66586	3.2
93.07045	24.2
95.04971	14.5
95.08625	47.8
97.06520	10.7
97.10170	3.6
105.07027	28.8
107.04977	17.7
107.08626	26.2
109.06512	19.2
109.10139	13.8
111.08014	4.6
115.03957	8.1
117.07008	8.1
119.08591	42.2
121.10136	10.7
123.08026	7.7
128.06206	7.3
129.06981	9.3
131.08580	19.7
133.06491	3.8
133.10136	38.7
135.08034	7.4
137.05971	6.7
141.06970	7.5
142.07755	10.7
143.08548	23.1
145.06569	4.2
145.10138	27.9
147.11703	9.4
149.09607	14.6
151.07549	10.2
152.17183	3.7
155.08560	12.3
156.09351	22.3
157.10132	61.8
159.08115	8.2
159.11699	32.7
161.09633	15.0
161.13211	4.5
165.06969	6.7
167.08617	5.3
168.09326	5.8
169.10115	40.0
170.10909	18.6
171.08064	9.6
171.11687	100.0
171.13136	4.9
172.08757	5.1
173.09608	12.1
173.13281	13.3
175.11179	7.5
176.14400	8.0
179.08446	5.4
180.09320	6.1
181.10081	8.5
183.11708	50.7
184.08766	4.6
185.09610	9.9
185.13257	84.4
187.11163	16.0
187.14803	5.2
189.09145	6.1
189.12769	6.2
191.10696	4.7
193.10168	7.1
193.12257	4.7
194.10893	8.4
195.11729	22.2
197.09605	5.3
197.13286	30.7
199.11191	20.7
199.14740	3.7
200.11977	4.2
201.12738	8.6
203.10533	5.0
203.14389	3.8
207.11684	12.9
208.12491	5.3
209.13228	22.2
210.13942	5.4
211.11166	10.9
211.14838	12.6
213.12724	57.4
213.16095	3.8
215.08531	3.8
215.10672	5.9
215.14273	7.1
217.12271	10.3
218.10986	4.6
219.11717	9.3
220.12416	6.0
221.13205	15.9
223.11160	10.0
223.14870	16.2
225.12668	7.1
225.16516	5.3
229.12294	18.4
231.11740	8.5
231.13815	20.1
232.12378	5.8
233.13298	12.7
235.14772	7.4
237.12752	7.9
237.16356	9.7
239.17960	12.4
239.38797	3.5
241.12257	18.7
243.13824	12.4
245.13211	8.9
245.15404	41.9
246.14011	18.4
247.14850	7.5
249.16479	20.7
251.14381	7.5
251.17905	29.6
255.13725	14.5
257.11758	10.4
257.15317	8.0
259.13135	16.1
260.15588	7.4
261.16470	35.1
263.18185	5.3
265.15781	4.5
265.19498	18.6
265.22253	3.9
267.17380	8.9
271.13300	4.7
273.14844	21.1
275.18173	23.6
279.17401	26.0
281.18912	5.3
287.05472	7.7
289.14340	4.7
291.16046	10.5
293.19086	31.4
297.18619	4.6
303.17456	6.0
309.18497	5.1
311.20038	10.0
321.18576	26.8
323.20056	5.4
325.21536	20.7
335.20132	30.4
339.19479	15.2
341.21255	7.6
343.22665	4.1
345.23413	4.0
353.21133	58.9
371.22211	47.3
389.21176	14.1
413.23230	4.8
431.23904	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	449.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.1
55.01871	5.5
55.05497	8.3
57.03429	3.6
57.07074	2.4
65.03939	2.5
67.05508	26.5
69.03413	6.7
69.07051	8.8
71.04974	3.3
71.55206	2.3
77.03882	2.5
79.05499	24.6
81.03434	15.0
81.07063	28.1
83.04967	6.4
83.08598	3.8
85.02441	2.8
85.02916	46.9
85.03420	3.1
85.06549	2.4
90.91141	2.4
91.05473	22.0
93.07038	28.9
95.04969	43.8
95.08620	15.9
97.06514	4.9
97.10159	2.4
99.08094	2.8
103.05501	2.9
105.03391	11.5
105.07038	30.9
107.04948	9.1
107.08598	19.2
109.06524	7.6
109.10140	9.5
111.08109	3.0
111.11700	2.0
115.05444	4.0
117.07008	7.9
119.08582	23.0
121.06487	15.3
121.10128	4.7
123.08050	7.0
123.11729	4.4
128.06226	8.6
129.06990	9.9
131.08589	13.7
133.06476	6.5
133.10146	13.7
135.08070	8.3
135.11671	7.3
137.05981	24.3
141.06989	5.9
142.07791	16.4
143.08549	21.0
145.06480	9.4
145.10129	17.5
147.08023	9.1
147.11656	7.4
149.09654	3.6
149.13225	3.3
153.06992	4.1
154.07753	5.4
155.08559	18.8
156.09344	11.3
157.10141	26.5
159.08037	6.1
159.11708	13.7
161.09641	7.4
161.13190	2.7
163.11142	4.7
165.07005	4.4
167.08528	7.9
168.09334	5.7
169.10127	46.6
170.07275	5.7
170.10892	4.2
171.08037	7.3
171.11710	27.4
173.09590	7.7
173.13281	5.4
175.11223	3.1
179.08528	11.0
180.09312	6.0
181.10107	11.5
182.10886	5.0
183.08028	2.7
183.11714	17.3
184.12509	2.9
185.09627	28.6
185.13225	8.4
187.11195	12.3
187.14755	2.3
189.12698	2.4
191.08417	2.4
192.09279	3.5
193.10168	12.1
194.10934	4.8
195.11711	21.1
196.12389	4.0
197.09634	3.6
197.13322	12.8
199.11241	6.2
201.12660	3.1
203.08585	3.5
203.10640	3.2
203.14241	3.0
204.09386	3.2
205.10130	9.1
206.10910	15.3
207.11687	19.6
208.12440	5.8
209.09605	4.9
209.13237	21.9
210.10402	1.9
210.13972	2.0
211.11174	4.1
211.14792	14.8
213.12743	5.2
213.16550	2.2
215.08669	2.3
215.10771	3.8
215.14250	5.4
217.10062	6.3
218.10941	3.5
219.11729	12.7
219.13490	2.4
220.12456	9.4
221.13281	32.4
222.13972	4.8
223.11255	4.9
223.14908	11.8
225.12811	4.0
225.16479	4.5
227.14307	3.4
229.10043	4.8
229.16020	2.5
230.10881	5.7
231.11758	14.1
232.12503	6.4
233.13260	15.8
234.10291	2.4
234.14076	9.5
235.11142	5.4
235.14810	16.2
236.15512	5.0
237.12706	8.1
237.16370	8.8
239.14317	7.3
242.11066	2.6
243.11714	9.2
243.17477	2.7
244.12416	6.0
245.13257	16.4
246.14107	11.0
247.14789	14.6
248.15569	3.8
249.12704	4.8
249.16432	13.4
251.14174	6.3
253.15892	2.7
254.10725	2.5
255.11691	4.9
256.12479	4.2
257.13171	10.4
258.10342	3.7
258.13992	4.4
259.11057	4.8
259.14767	13.1
259.17120	3.1
260.15494	5.9
261.12613	3.0
261.16342	12.1
262.17044	3.2
263.14325	5.1
263.17953	3.5
265.15823	6.0
267.11502	2.8
267.17337	5.4
269.13174	4.0
270.13904	4.4
271.11462	2.8
271.14700	4.6
272.12045	2.5
272.15378	2.2
273.12759	8.2
273.16272	6.2
275.14645	4.4
275.17899	15.7
276.14978	2.8
277.15866	7.9
277.19147	2.7
279.17499	4.7
281.13205	2.5
282.13861	3.0
283.11298	3.9
283.14777	3.8
284.11841	4.7
284.15482	2.9
285.12717	7.2
285.16397	5.8
286.13492	2.7
287.05493	2.9
287.14182	6.0
287.17630	3.0
288.15204	3.4
289.15979	10.0
293.18893	2.6
295.14340	2.2
297.12839	3.2
298.13495	4.1
299.14328	9.2
299.17581	3.8
301.15860	5.4
303.17517	11.3
305.15338	7.1
305.19037	6.1
307.16956	2.9
307.20416	2.7
309.22214	10.8
311.14169	2.2
312.15161	3.2
313.15698	12.9
314.16483	3.1
315.13907	3.7
315.17358	14.8
315.20862	4.4
317.19107	4.0
319.20566	4.1
323.14249	2.2
325.19513	3.6
327.17438	18.4
328.18292	10.2
329.18860	7.5
333.18671	2.5
337.25851	2.7
341.19028	6.0
342.19699	5.0
343.20572	100.0
345.18466	29.2
347.20081	5.4
353.19070	11.6
357.24121	2.2
361.21664	29.1
363.19412	3.2
371.20074	36.8
377.24716	5.6
389.21140	24.4
431.22073	22.6
431.29251	11.6
449.23126	34.4
449.30267	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
55.01863	5.6
55.05500	8.6
57.03424	2.7
59.63209	2.4
65.03925	4.8
67.05504	20.8
69.03416	8.9
69.07053	7.4
71.04985	3.4
79.05495	23.5
81.03410	12.1
81.07056	23.9
83.04980	9.3
83.08594	3.9
85.02903	55.6
85.06553	2.7
89.91490	2.5
91.05479	20.6
93.07053	25.3
95.04970	35.5
95.08599	14.8
97.06509	3.5
103.05421	3.2
105.03384	10.6
105.07037	30.4
107.04935	7.4
107.08598	19.6
109.06523	5.8
109.10135	6.5
111.08043	2.5
115.05462	4.1
117.07008	10.5
119.08589	23.3
121.06490	13.2
121.10114	7.5
123.08054	4.5
123.11740	5.9
124.80394	2.3
128.06226	7.4
129.06996	11.6
130.07773	2.8
131.08554	13.2
133.06479	9.4
133.10127	12.4
135.08037	10.0
135.11621	7.0
137.05981	27.5
137.09596	3.1
141.06995	9.7
142.07773	16.6
143.08569	23.4
145.06480	9.9
145.10107	12.4
147.08067	7.8
147.11662	8.2
149.09579	4.1
149.13205	2.8
151.11198	4.5
153.07037	5.2
154.07779	4.4
155.08534	18.2
156.09334	6.9
157.10110	26.6
159.08049	5.6
159.11647	10.9
161.09590	5.2
163.11208	2.9
165.06973	7.6
166.07784	4.0
167.08571	10.0
168.09367	4.0
169.10130	51.6
170.07259	6.3
170.10893	4.5
171.08055	4.9
171.11691	20.8
173.09612	7.4
173.13237	4.0
177.12711	2.9
179.08559	15.0
179.14162	3.3
180.09325	8.7
181.10092	13.9
182.10936	4.0
183.11732	18.9
185.09645	31.7
185.13284	7.9
187.11218	13.1
189.12848	4.4
191.08527	4.0
192.09334	8.0
193.10104	14.7
194.10872	9.9
195.11746	20.0
196.12502	3.8
197.09602	4.8
197.13293	13.2
199.11166	3.6
199.14865	4.0
201.12761	4.5
203.08522	3.7
203.10605	4.0
204.09326	3.5
205.10074	7.9
206.10895	11.8
207.11719	22.8
208.12405	6.3
209.09596	3.8
209.13249	20.5
210.13866	2.3
211.11147	4.3
211.14812	16.0
213.12827	4.0
215.08635	4.1
215.10660	4.7
215.14250	5.2
216.09413	3.2
217.10072	5.5
218.10847	6.8
219.11774	15.2
220.12485	13.8
221.09778	2.9
221.13237	38.9
222.10402	3.6
222.13892	4.4
223.14897	13.6
225.12798	5.9
225.16432	4.5
229.10068	5.1
230.10992	4.0
231.11598	12.7
232.12440	9.6
233.13260	13.4
234.13962	7.2
235.11148	4.8
235.14893	22.5
236.15623	2.8
237.12758	8.8
237.16328	13.3
239.14220	4.1
241.10078	2.7
243.11708	10.8
244.12526	7.5
245.13179	12.8
246.14040	10.3
247.14784	15.2
249.12624	5.2
249.16463	13.0
251.14359	5.3
256.12448	6.2
257.13254	7.5
258.14127	6.8
259.11163	5.8
259.14636	11.3
260.15646	5.8
261.12759	2.8
261.16470	12.8
263.14346	4.3
265.12805	2.5
265.15863	6.7
267.17261	3.1
269.13260	4.8
270.14038	6.5
271.11191	4.0
271.14853	5.3
272.11862	3.8
272.15567	3.3
273.12650	8.4
273.16406	6.9
275.14917	3.5
275.17856	18.5
277.15787	7.8
281.13174	3.3
283.10983	3.0
283.14685	6.5
284.12076	3.4
284.15466	3.8
285.12674	5.0
285.16205	7.1
287.14374	3.0
289.15836	8.3
289.19363	2.6
293.18979	3.8
295.14767	5.5
299.14175	9.8
299.17361	3.3
300.15225	2.8
300.18488	2.9
301.15829	7.5
303.17361	12.8
305.15436	6.9
305.18839	4.7
307.16965	4.0
307.20462	2.9
309.21982	11.2
310.17032	2.7
313.15811	9.7
314.16583	3.2
315.17511	11.9
317.15332	4.0
317.18823	5.9
319.20615	2.7
323.14081	4.2
325.19440	5.5
327.17487	19.2
328.18195	9.8
329.15298	3.7
329.18890	6.2
333.22137	3.8
337.26370	3.2
341.18805	5.8
342.19775	7.5
343.20566	100.0
345.18564	27.4
347.19989	6.5
353.18912	14.3
357.24203	2.9
361.21698	29.4
371.20120	30.5
377.24612	2.8
389.21082	27.2
431.22092	23.4
431.29227	11.4
449.23206	32.7
449.30280	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
55.01864	6.5
55.05508	4.7
65.03930	2.8
65.48339	1.9
67.05502	17.9
69.03439	10.8
69.07065	5.0
69.23464	5.2
69.23878	12.5
72.12785	1.9
72.66689	2.2
79.05506	20.1
81.03426	14.7
81.07053	12.6
83.04984	4.8
85.02442	2.4
85.02916	42.2
85.06595	2.1
90.73152	1.9
91.05488	27.0
93.07044	20.3
95.04976	50.4
95.08592	7.4
103.05471	2.4
105.07027	31.0
107.04961	12.1
107.08586	13.5
109.06526	14.4
109.10166	2.8
109.43130	2.0
115.05453	4.0
117.07035	12.2
119.04966	2.0
119.08581	31.6
121.06532	16.3
121.10159	7.8
123.08066	3.1
128.06227	6.4
129.06978	11.0
130.07864	2.6
131.04982	3.1
131.08577	15.7
133.06499	9.8
133.10118	7.2
135.08067	9.6
137.09619	4.1
141.06963	4.4
142.07780	11.4
143.08592	18.1
144.09341	3.4
145.06496	15.1
145.10126	14.6
147.08054	23.7
147.11687	4.5
149.09648	6.1
153.07022	4.9
154.07837	4.3
155.08554	11.8
156.09361	6.8
157.10133	23.5
157.59804	1.9
158.10777	2.0
159.08098	11.2
159.11693	10.1
161.09634	10.6
165.07008	7.5
166.07822	3.2
167.08603	9.2
168.09389	4.5
169.06412	2.8
169.10121	39.7
170.07295	4.2
170.10893	3.9
171.08096	5.9
171.11681	16.3
173.06006	3.0
173.09595	12.1
175.07591	3.6
175.11226	4.4
178.07806	4.2
179.08598	10.0
180.09373	4.2
181.10062	9.4
182.10912	4.1
183.08069	5.5
183.11745	17.0
184.08765	2.7
185.09633	31.0
185.13275	5.8
187.11177	13.3
189.09117	3.4
192.09358	6.7
193.10088	10.9
194.10942	4.1
195.11694	15.3
196.12566	3.6
197.09660	8.7
197.13243	9.7
198.10373	4.9
199.11209	9.1
201.12830	3.8
203.08643	2.9
204.09302	2.5
205.10159	6.5
205.12045	2.5
206.10922	15.8
207.11700	19.4
208.12564	4.6
209.09723	5.8
209.13229	13.6
211.11212	7.3
211.14926	13.2
213.12790	19.8
215.10651	6.0
216.09439	2.3
217.10176	5.8
218.10922	3.5
219.08109	2.2
219.11710	9.8
220.12477	8.5
221.09761	2.8
221.13252	31.8
222.14024	3.6
223.11209	7.1
223.14832	8.8
224.11995	2.6
225.12738	7.1
227.14420	4.2
228.09503	2.5
230.11014	3.4
231.11714	11.8
232.12538	8.0
233.09650	3.9
233.13399	13.5
234.10663	2.4
234.14047	4.0
235.11232	7.1
235.14787	11.6
236.11958	2.8
236.15712	2.7
237.12755	7.7
237.16437	12.6
239.14342	10.3
241.12308	4.0
243.11754	8.7
244.12495	6.2
245.13258	13.0
246.14165	9.7
247.11221	3.5
247.14870	11.9
248.12068	2.2
249.12744	5.5
249.16417	11.5
251.14378	4.8
252.15260	2.1
253.12402	2.1
253.15950	4.4
255.11740	3.7
256.12546	3.7
257.13336	8.7
258.14032	4.2
259.11179	3.2
259.14847	9.1
260.15582	6.7
261.12784	3.9
261.16428	10.4
262.13580	3.2
263.14319	4.1
265.15945	5.0
266.10461	2.1
267.13968	3.0
269.13358	4.4
270.14063	4.3
271.11191	5.0
271.14844	7.6
272.12073	2.2
272.15536	2.9
273.12845	9.1
273.16458	6.9
275.14642	4.7
275.17999	15.2
277.12375	2.3
277.15985	5.9
280.12573	3.2
281.13196	2.3
282.14255	2.7
283.11301	4.3
283.14740	4.1
284.12296	2.2
285.12820	6.0
285.16440	4.8
286.13535	4.4
287.14401	7.1
288.15170	3.7
289.15887	4.5
295.14771	3.2
297.12823	2.6
297.16272	3.1
298.13547	5.3
299.14340	9.1
299.17862	3.7
300.15131	5.2
301.12415	2.7
301.15900	7.2
303.14188	3.2
303.17426	10.8
305.15454	4.7
307.17053	4.9
310.17322	2.4
311.14404	2.3
312.14990	4.8
313.15915	15.4
314.16592	4.5
315.14093	3.6
315.17529	8.1
315.20929	4.2
317.15363	2.9
317.19058	5.2
319.16806	3.1
321.18497	2.6
323.14191	2.8
325.19614	2.9
327.17355	10.1
328.18304	8.5
329.15436	4.5
329.19125	6.9
330.16132	4.5
331.17017	4.2
333.22079	3.9
341.19095	5.8
343.20596	65.1
345.18478	24.9
347.20056	5.0
353.18765	12.5
359.20050	4.5
361.17404	3.0
361.21692	42.1
363.19592	4.1
371.20038	37.3
381.20435	3.6
389.16077	3.3
389.21118	67.7
407.22293	7.0
431.22278	24.3
449.23315	100.0
449.29932	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	449.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.3
53.03919	1.2
55.01874	4.5
55.05518	1.6
57.03420	0.5
57.07056	0.5
63.37885	0.3
65.03910	0.9
67.05502	4.2
69.03431	5.5
69.07070	2.7
69.82113	1.6
71.04975	0.6
77.03929	0.5
79.05491	6.2
81.03421	6.9
81.07058	3.7
83.04976	1.5
83.08600	0.5
85.02872	0.3
85.06513	0.4
89.91674	0.2
91.05482	17.7
93.03415	0.5
93.07043	9.6
95.01326	2.1
95.04968	8.7
95.08039	0.3
95.08607	3.5
97.06531	1.7
98.20811	0.4
103.05462	2.0
104.06213	0.3
105.03407	0.3
105.04504	0.5
105.07035	13.0
107.04948	2.5
107.08599	5.6
109.06523	3.5
109.10162	2.3
111.08018	0.8
114.57182	0.3
115.05444	4.0
116.06256	1.3
117.07025	8.3
119.04905	1.0
119.08583	20.9
121.06505	3.9
121.10148	6.5
123.08094	2.0
123.11668	0.4
125.09545	0.4
128.05402	0.4
128.06232	5.6
129.07005	6.7
130.07791	1.6
131.04897	0.9
131.08569	9.7
133.06508	4.1
133.10124	7.9
135.04404	0.3
135.08061	3.5
135.11681	0.7
135.46767	0.3
137.09637	1.3
141.06984	3.6
142.06795	0.4
142.07780	5.0
143.08569	9.1
144.05669	1.1
144.09271	1.2
145.06482	5.9
145.10133	8.0
146.07217	0.7
147.08047	25.8
147.11681	2.5
149.05934	0.5
149.09627	8.1
152.06160	0.8
153.06992	2.6
154.07724	1.6
155.05969	0.7
155.08556	5.4
156.09343	3.4
157.06448	1.2
157.10127	8.3
158.07285	1.9
158.10835	0.6
159.08064	11.4
159.11694	3.9
160.08789	0.6
161.05969	0.4
161.08295	0.5
161.09627	11.2
161.13292	0.5
163.07561	1.8
163.11134	1.4
165.07016	5.3
165.09120	3.8
166.07768	2.8
167.08566	4.1
168.09377	2.0
169.06491	1.4
169.10115	6.2
170.07253	1.1
170.10844	1.8
171.08061	7.3
171.10283	0.3
171.11679	5.8
172.08820	1.8
172.12405	0.6
173.06007	2.6
173.09621	11.7
173.13220	2.8
175.07498	1.2
175.11195	3.4
177.09128	0.3
177.12679	0.3
178.07808	1.9
179.08549	4.2
179.10266	0.4
180.09334	3.7
181.06487	1.1
181.10121	5.3
182.07289	1.4
182.10930	1.8
183.08096	3.2
183.11707	5.4
184.08835	2.0
184.12408	0.5
185.09616	9.4
185.13220	2.5
186.10362	1.4
187.07558	1.9
187.11185	6.0
187.14809	1.0
189.07153	0.5
189.09079	2.0
189.12679	0.8
190.07739	0.8
191.08507	1.1
192.09354	1.6
193.10110	3.7
194.07262	0.8
194.10921	1.3
195.08078	2.6
195.11688	5.3
196.08849	2.7
196.12399	0.3
197.09622	6.9
197.13281	4.2
198.10365	1.6
199.07524	0.5
199.11189	9.4
199.14792	0.3
200.11975	1.0
201.09175	1.7
201.10928	0.3
201.12732	3.3
202.07715	1.0
203.08525	1.5
203.10599	0.8
203.14201	0.4
204.09306	1.0
205.06355	0.3
205.10178	2.0
205.12085	0.4
206.10959	1.7
207.08057	0.8
207.11687	3.9
208.08813	2.7
208.12343	0.9
209.09613	6.5
209.13202	2.0
210.10422	2.4
211.07770	0.4
211.11176	10.9
211.14723	0.6
212.08330	0.3
212.11772	0.4
213.09354	1.3
213.12733	9.2
215.08533	1.3
215.10635	2.5
215.14299	3.8
216.09349	1.1
217.10103	2.6
217.12170	0.7
218.10927	1.4
219.08075	1.0
219.11670	2.1
220.08876	0.7
220.12439	1.4
221.09691	2.6
221.13242	2.9
222.10454	1.7
223.11197	13.1
223.14755	0.9
224.08287	0.5
224.11879	1.5
225.09100	1.2
225.12744	5.4
226.09862	0.5
226.13402	0.5
227.10616	2.7
227.14262	1.3
228.09224	0.5
229.10074	2.3
229.12285	1.9
230.10873	2.0
231.08191	0.5
231.11703	3.4
231.13870	0.5
232.08778	0.7
232.12453	1.6
233.09669	2.2
233.13280	2.1
234.10347	1.0
234.13934	0.9
235.11157	2.8
235.14766	2.0
236.11809	0.7
237.09158	1.6
237.12735	4.1
237.16359	0.6
238.13428	0.7
239.08478	0.6
239.10649	3.7
239.14273	1.6
239.18045	0.4
241.10019	1.3
241.12244	2.0
241.15709	0.3
242.10902	1.0
243.11659	2.8
243.13829	1.7
244.12511	1.4
245.09605	1.7
245.13260	4.0
246.10440	1.7
246.14069	1.7
247.11139	3.4
247.14992	1.7
248.11943	1.0
249.09035	0.4
249.12740	3.4
249.16371	1.1
250.09810	0.3
250.13504	0.9
251.10635	1.2
251.14259	1.5
251.17940	0.4
253.10086	0.6
253.12251	0.8
253.15811	1.2
254.10831	0.8
255.07878	0.4
255.11711	2.0
256.12402	1.2
257.09570	1.0
257.13245	2.2
258.10342	1.3
258.14059	1.2
259.11130	3.3
259.14914	2.0
260.11899	1.7
260.15622	0.6
261.09518	0.5
261.12732	3.7
261.16333	2.0
262.13528	0.9
263.10815	0.8
263.14270	2.6
264.15033	0.7
265.12305	0.9
265.15826	1.3
266.10806	0.7
267.11578	1.1
267.13931	0.8
267.17499	0.3
268.12482	0.9
269.09641	0.7
269.13397	2.2
270.10388	0.6
270.13986	1.5
271.11389	1.5
271.14697	1.8
272.11902	1.9
272.15570	0.7
273.12543	3.9
273.15164	0.9
274.13489	2.1
275.10544	0.6
275.14246	3.4
275.17929	0.8
276.11703	0.4
276.15085	1.0
277.12204	1.5
277.15689	1.9
279.13867	0.9
279.17450	1.0
280.12347	1.3
281.13098	1.2
281.15723	0.4
282.10583	0.4
282.13959	0.8
283.11148	2.7
283.14743	1.6
284.11963	2.0
284.15591	1.0
285.09256	0.4
285.12695	2.7
285.16327	2.5
286.13525	1.6
286.16656	0.3
287.10889	0.7
287.14313	4.3
287.17526	0.5
288.15106	1.6
289.12183	0.9
289.15790	2.3
290.12860	0.6
290.16617	0.5
291.13831	1.1
291.17386	0.8
292.14682	0.4
293.15427	1.1
293.18741	0.5
294.14136	0.7
295.11398	0.6
295.14807	1.6
296.11926	1.2
296.15558	0.6
297.12735	3.2
297.16391	0.9
298.13583	2.9
298.16754	0.4
299.10596	1.0
299.14288	3.6
299.17914	0.8
300.11841	0.4
300.15076	1.1
301.12201	1.0
301.15836	2.4
301.19269	0.5
302.12979	0.6
302.16623	0.9
303.13763	1.0
303.17419	2.9
305.15384	1.0
306.15775	0.4
308.11902	0.7
309.12738	1.5
309.16187	0.7
310.13535	0.9
310.16989	0.5
311.14258	2.5
312.14978	1.9
313.12234	0.8
313.15802	8.1
313.19019	0.3
314.12854	0.7
314.16647	1.7
315.13718	1.4
315.17398	1.5
316.14539	0.8
317.15359	1.3
317.18985	0.9
319.16910	1.0
319.20322	0.5
321.14963	0.4
321.18420	1.7
323.14261	3.8
324.15125	1.4
325.15829	1.3
325.19385	0.6
326.13049	0.5
326.16635	0.9
327.13757	1.3
327.17429	4.0
328.14566	0.7
328.18216	2.8
329.15259	2.1
329.19012	3.0
330.16125	1.0
331.16919	2.3
331.20471	0.6
332.17499	0.5
333.14688	0.3
333.18381	0.4
333.22198	0.4
338.16663	3.3
341.15298	2.9
341.19058	2.7
342.16153	0.6
342.19916	0.5
343.16974	0.6
343.20581	6.7
345.18478	10.4
346.19199	1.0
347.16489	0.3
347.20059	5.1
353.18994	5.9
356.17661	3.2
359.16336	0.5
359.20065	2.8
361.21628	3.9
371.20062	27.0
372.20438	0.7
374.18680	2.4
389.21103	57.5
390.21576	0.9
407.22293	2.3
431.22229	5.0
449.23236	100.0
450.23526	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.7
67.05510	3.4
67.86887	1.3
69.03419	4.5
69.07059	4.5
69.86712	6.7
79.05489	3.6
81.03421	2.1
81.07043	5.1
83.04967	2.7
91.05464	5.7
93.07044	3.4
95.04972	6.9
95.08635	2.6
97.06517	1.3
99.04443	1.7
103.58440	1.2
105.03397	14.7
105.07041	7.4
107.08591	4.5
109.06548	1.4
109.10140	2.1
111.04429	2.6
111.44868	1.1
115.05408	1.3
117.07011	2.9
117.53927	1.3
119.08581	9.3
121.06502	3.6
121.10137	3.4
127.03894	1.3
128.06204	3.2
129.06964	3.5
131.00053	1.3
131.04842	1.2
131.08583	5.8
133.06496	1.8
133.10133	5.1
135.07993	2.0
141.06964	3.2
142.07764	5.3
143.08562	13.4
145.06479	3.1
145.10123	7.2
147.08015	4.2
147.11687	2.5
149.09627	2.7
155.08559	6.1
156.09340	21.4
157.10121	19.7
159.08104	6.2
159.11702	13.7
161.09653	3.2
161.13295	3.4
163.11191	2.1
165.07021	2.5
168.09314	1.6
169.10133	8.7
170.10909	16.6
171.08058	7.9
171.11690	79.4
172.08766	2.7
172.12402	1.5
173.09615	5.2
173.13272	5.1
175.07553	1.8
175.11169	2.9
181.08630	1.2
183.08046	4.1
183.10193	1.7
183.11702	11.4
184.08868	2.9
185.09637	4.9
185.13266	56.1
187.11195	8.7
189.12743	5.2
191.10706	1.6
193.12112	1.2
195.11655	7.0
197.09587	2.5
198.10368	7.6
199.07561	2.0
199.11217	11.1
200.11964	2.4
201.12714	6.0
203.14357	2.6
213.12741	100.0
213.74574	1.3
215.10550	1.4
217.08543	3.2
217.12198	4.0
221.01166	1.1
223.11015	1.4
229.12297	3.5
231.10130	4.7
231.13800	13.8
233.15263	2.0
241.12199	10.7
245.15367	29.5
247.13361	3.5
249.14896	2.5
259.13318	15.9
261.14841	1.3
263.16516	5.6
273.14862	18.9
277.14328	6.1
287.05588	2.8
291.15927	25.1
309.16876	1.3
314.13217	1.4
314.17230	1.1
343.16830	1.3
347.16531	1.7
366.59048	1.3
368.78241	1.4
413.19705	2.6
417.18826	2.8
431.20749	9.0
449.19644	2.7
449.29102	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1083
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.01861	0.3
55.05489	0.2
56.86629	0.2
57.03416	0.7
61.02902	0.8
67.01830	0.4
67.05511	1.4
68.99792	0.4
69.03426	1.8
69.07050	0.7
69.30281	0.9
69.30708	1.3
71.04973	0.7
73.02562	0.3
73.02926	4.5
79.05476	0.7
81.03421	1.3
81.07038	1.1
83.04981	0.6
83.08630	0.3
84.08162	0.3
85.02909	2.2
91.05460	0.9
92.02608	0.5
93.07030	1.1
95.04947	0.9
95.08588	0.9
97.02872	1.1
97.06517	0.3
99.04420	0.5
105.07004	0.9
107.08557	0.9
109.02863	0.8
109.10155	0.9
111.04450	0.3
111.08057	0.4
117.03394	0.3
119.08547	0.9
120.08067	0.3
121.02879	0.4
121.06508	0.2
121.10143	0.4
124.07564	0.4
127.03909	1.3
129.06927	0.2
131.08540	0.5
131.44345	0.2
133.10129	0.7
135.04414	1.4
135.11736	0.4
136.06128	0.3
137.02383	0.6
137.05980	0.5
141.54404	0.3
143.08617	0.3
145.04919	0.6
145.10101	0.8
147.11685	0.7
148.11879	0.3
149.05901	0.3
151.03934	0.3
153.01837	7.7
157.10083	0.4
159.11668	0.4
161.02222	0.2
161.13264	0.3
163.11136	0.3
165.01895	0.5
165.12764	0.5
167.07079	0.5
171.02914	0.4
171.11705	0.3
179.03305	0.3
181.04990	0.3
183.13806	0.5
185.13202	0.3
201.14784	0.3
203.03470	0.3
229.04941	0.7
241.04955	0.6
245.04498	0.5
246.05247	0.4
257.04492	0.6
263.91971	0.3
269.04532	0.6
271.05957	0.3
273.03888	0.6
274.04840	1.2
285.03882	1.1
286.04974	0.3
287.05515	100.0
288.05859	1.0
302.04218	4.3
303.05051	1.0
317.06583	32.8
449.10815	24.3
450.11218	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1083
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03938	0.5
55.01867	0.5
57.03444	1.0
61.02933	1.6
68.99791	0.7
69.03088	0.2
69.03436	3.5
69.71043	0.7
71.04987	0.4
73.02905	0.4
79.05479	0.2
81.03424	1.5
81.07051	0.1
82.32377	0.1
83.01330	0.2
85.02911	9.6
87.04451	0.4
91.03956	0.7
97.02896	3.3
98.21635	0.1
99.04482	0.6
105.03371	0.3
107.04971	0.4
109.02900	0.9
111.00810	0.8
115.03921	0.1
121.02874	2.8
127.03931	1.9
133.02831	0.6
137.02350	0.9
138.97495	0.1
141.07062	0.1
145.04980	1.7
145.06274	0.2
147.04436	0.6
147.89665	0.1
151.03835	0.1
153.01836	4.2
157.06488	0.5
161.06009	0.1
165.01834	2.0
165.03090	0.2
171.04332	0.2
183.02911	0.7
185.05998	0.5
197.06003	0.2
203.03415	0.1
203.07057	0.2
213.05464	1.5
231.06546	0.7
241.05000	1.1
258.05264	1.2
259.06052	0.4
269.04492	0.3
287.05511	100.0
288.05878	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
57.03429	0.5
61.02653	0.3
61.02929	5.3
68.99787	0.6
69.03429	1.5
70.99670	0.6
73.02939	1.4
76.92070	0.3
79.05477	0.4
81.03410	0.9
85.02904	6.7
91.03956	3.1
94.95547	0.3
97.02901	2.8
105.03420	0.5
107.04883	0.3
109.02875	0.5
111.00790	0.8
121.02862	2.9
127.03896	0.8
133.02859	0.5
137.02325	0.7
145.04948	1.0
145.06334	0.3
147.04416	0.7
153.01822	3.9
157.06436	0.4
165.01817	1.7
183.02869	0.9
183.13718	0.3
185.06038	0.4
213.05493	1.4
219.90256	0.3
231.06523	0.5
241.04893	0.8
244.09564	0.4
258.05246	1.0
259.05920	0.5
269.04425	0.3
287.05499	100.0
288.05881	1.0
379.16318	0.4
449.17914	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84269	0.1
53.03936	0.2
55.01854	0.1
55.51009	0.1
57.03442	0.6
61.02932	6.4
62.53421	0.1
65.03951	0.1
65.94306	0.1
68.99794	0.6
69.03432	1.1
69.20368	0.4
69.20795	0.6
71.04993	0.2
73.02924	1.8
79.05501	0.2
81.03413	0.5
85.02911	6.0
85.49507	0.1
91.03962	3.3
95.04971	0.1
97.02287	0.2
97.02901	2.9
99.04455	0.3
105.03360	0.3
107.04966	0.3
109.02862	0.4
111.00831	0.7
115.03922	0.3
121.02004	0.2
121.02872	3.0
124.07552	0.1
125.05986	0.1
125.42915	0.1
127.03951	0.9
133.02852	0.3
135.04424	0.1
137.02359	0.7
141.06949	0.1
145.04955	0.8
145.06447	0.3
147.04375	0.5
153.01843	3.8
157.06522	0.4
161.02275	0.1
165.01855	1.8
171.04425	0.3
183.02931	0.8
185.05989	0.5
185.08049	0.1
187.12122	0.1
189.05424	0.2
203.07028	0.2
213.03688	0.2
213.05493	1.4
219.70845	0.1
229.04903	0.2
231.06512	0.7
241.04895	0.9
243.06583	0.2
258.05270	1.2
259.06097	0.4
269.04559	0.1
270.05347	0.1
287.05508	100.0
288.05811	1.1
299.05484	0.5
323.05804	0.1
325.06998	0.1
329.06531	0.3
353.06564	0.4
383.07468	0.1
408.26859	0.1
449.10962	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1059
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
52.64730	1.4
55.05522	1.9
58.99959	1.6
69.03432	2.7
70.27979	3.2
70.28371	3.0
85.02905	8.3
97.02882	3.1
98.97601	2.7
99.04440	2.7
113.99135	1.5
119.04973	2.1
127.03942	2.1
147.04402	3.1
177.05470	3.0
219.01750	2.0
237.02789	2.4
282.53662	1.6
362.08563	2.2
363.06760	23.1
449.10852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Quercitrin
Peak:m/z	Relative Intensity
52.91847	0.3
53.03950	0.3
55.01878	0.6
55.05493	1.1
57.03432	3.9
59.05005	0.6
61.02926	0.6
62.06084	0.4
65.79471	0.4
67.05486	1.3
68.99771	0.6
69.03409	1.2
69.07068	0.4
69.50570	2.2
71.01371	0.5
71.04996	27.3
73.02925	0.6
75.04471	0.6
79.05467	0.9
81.03402	0.9
81.07056	2.2
83.04991	0.7
85.02908	27.9
85.06498	0.5
87.04462	0.8
89.16382	0.3
91.05482	1.0
93.07021	1.4
95.04951	1.2
95.08587	1.3
97.06522	0.7
99.04447	1.1
99.08032	0.3
99.41785	0.3
101.06055	0.4
103.03941	0.6
103.05470	0.3
105.07014	1.1
107.08577	1.1
109.02869	1.1
109.10137	0.5
111.00814	0.9
111.04453	0.6
119.08588	0.7
121.02869	0.9
121.06488	0.4
121.10139	1.1
123.08083	0.5
125.05972	0.4
125.09599	0.4
127.03899	1.4
129.05482	7.4
129.06979	0.5
131.08577	0.6
133.02826	0.3
133.06491	0.4
133.10155	0.4
135.04372	0.3
135.08023	0.4
135.11671	0.5
137.02321	3.1
137.05914	0.3
137.09575	0.3
143.07089	1.5
145.04979	0.6
145.10124	0.4
147.06528	1.1
149.02345	0.4
152.07047	0.5
153.01828	4.1
157.07655	0.4
161.05965	0.5
163.03873	0.5
164.07175	0.3
165.01833	2.1
165.09190	0.4
166.02664	0.3
167.07085	0.4
173.05956	0.7
173.13255	0.4
183.02946	0.4
183.04375	0.3
183.13757	0.4
195.02924	0.3
201.05545	1.6
201.11240	0.3
209.04813	0.3
215.17857	0.6
229.04947	4.6
247.05829	0.4
251.16457	0.4
257.04361	2.5
269.21103	2.2
272.07797	0.3
274.04718	0.5
285.03973	1.6
303.04999	100.0
304.05365	1.3
315.04932	0.4
345.06192	0.7
413.08646	0.7
449.10760	0.8
449.17697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40106	3.6
55.01867	6.3
55.05501	5.9
57.03435	4.5
67.05505	13.3
69.03429	13.6
69.07062	29.2
70.06561	3.4
70.61785	4.2
70.62132	11.4
71.05000	4.0
77.17503	3.5
79.05488	22.4
81.03443	4.0
81.07060	29.0
83.04986	37.8
85.02907	14.9
85.06557	6.0
86.09700	8.7
91.05493	21.7
93.07037	46.3
95.04984	17.6
95.08606	14.6
97.02873	4.7
97.06535	43.3
99.03911	3.9
99.04472	15.6
105.07044	51.5
105.07706	6.8
107.04935	8.8
107.08596	37.7
109.02902	6.9
109.06533	34.5
109.10172	7.9
111.08041	5.0
115.05504	4.0
117.07025	9.5
119.04940	19.3
119.08587	22.2
121.06509	35.8
121.10151	21.5
123.08106	8.8
125.05984	64.2
127.03939	11.7
127.07578	14.5
131.08572	17.3
133.06453	9.6
133.10165	12.9
135.08041	4.2
135.11697	6.7
137.05966	12.0
139.07565	15.0
141.07077	4.8
143.07053	48.6
143.08167	5.0
143.08522	3.1
145.06509	4.1
145.10135	92.2
146.51231	3.5
147.11691	13.0
149.13248	4.4
151.07565	10.4
156.09460	4.9
157.08632	33.3
157.09897	6.5
158.07338	6.6
159.08080	6.1
159.11716	33.2
163.11162	62.3
165.09148	14.9
169.10109	11.3
173.09610	48.2
177.12798	12.0
183.10147	19.1
187.11176	58.2
189.12852	4.7
191.10681	19.4
194.39143	4.3
197.09657	9.1
205.12245	77.2
205.14142	4.0
209.11716	5.1
215.10698	100.0
215.14357	3.8
221.19107	7.2
223.13313	16.8
233.11736	94.4
233.15327	6.5
251.12790	98.5
251.16394	10.0
269.13852	55.8
287.05524	7.9
336.27420	4.1
441.27621	3.9
456.98724	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	448.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.7
55.05505	11.5
61.14946	4.6
67.05503	13.7
69.03417	14.6
69.07064	19.5
69.37898	41.1
71.04994	10.3
79.05499	23.9
81.03413	12.3
81.07051	21.8
83.04971	31.3
83.08614	8.2
85.02903	16.4
85.06568	12.4
86.09688	8.3
91.05476	23.0
92.24397	5.3
93.07056	29.7
95.04980	18.9
95.08600	18.8
97.02889	8.8
97.06534	35.8
99.04463	18.7
105.07058	49.3
107.04989	12.9
107.08607	30.4
109.06535	33.3
109.10183	10.2
117.07009	12.6
119.04927	14.9
119.08549	20.7
121.06498	25.1
121.10139	24.5
123.08053	8.8
125.05995	57.2
127.03942	7.2
127.07539	9.3
131.08580	18.1
133.06468	9.5
133.10146	6.2
135.11673	9.5
137.05927	5.7
139.07593	13.0
143.07016	38.8
143.08586	7.8
145.06476	6.5
145.10127	84.2
147.11626	11.1
151.07483	11.8
157.08621	31.2
157.09767	5.5
159.11685	34.7
161.09827	4.9
163.11200	65.7
165.09114	13.7
169.10062	8.5
173.08228	7.4
173.09625	47.1
177.12808	13.7
183.10156	21.0
187.11201	61.0
189.12776	5.2
191.10692	21.7
197.09607	14.1
205.12231	69.7
205.67923	6.2
207.98000	5.0
209.11728	5.0
215.10670	85.1
221.18977	7.7
223.13297	20.3
233.11723	100.0
251.12787	91.1
251.15819	6.3
251.16508	6.7
269.13864	49.1
269.16623	7.0
370.49933	6.0
443.12869	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	448.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25373	0.7
51.72339	1.0
60.04504	1.1
61.02921	0.9
69.03406	0.9
70.06591	1.7
71.32788	1.9
78.48555	0.8
85.02905	4.2
87.04469	1.0
97.02866	1.1
98.21144	1.1
104.07082	1.0
106.05023	3.6
143.00162	0.9
189.16176	0.9
315.10220	1.0
362.08450	25.5
448.12216	100.0
449.13135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35214	1.0
54.14367	0.9
54.34224	1.2
55.01869	1.2
55.05520	1.5
56.05037	2.6
57.03436	7.9
58.99588	1.5
60.20950	0.9
62.06104	7.7
67.05520	1.3
69.03432	2.3
69.23859	5.9
69.24285	3.9
70.06590	2.3
72.08162	1.0
79.05487	2.1
80.05025	4.3
81.03435	1.7
82.06592	3.8
82.99570	2.0
83.06113	3.9
84.04514	34.5
84.05025	2.0
84.08171	1.4
85.02893	5.0
86.00642	2.6
86.09731	2.6
91.05537	0.9
93.05808	1.3
94.06596	1.8
95.04992	1.5
96.08174	1.2
97.01128	3.6
97.02883	1.5
99.02687	2.0
99.05569	2.5
100.02188	1.9
100.07651	5.9
104.05022	2.0
105.05741	1.7
106.06561	2.4
107.06084	1.2
107.07337	3.4
108.08144	1.8
109.02923	1.4
109.07661	4.6
110.06039	2.7
110.26315	0.9
110.99084	2.0
111.02693	8.2
116.01713	1.2
117.00094	2.7
117.03387	4.2
122.06059	1.2
123.02663	6.7
124.02208	7.3
124.07584	2.3
125.00551	1.7
126.05475	1.3
127.03902	1.5
129.06615	4.4
130.05014	9.2
134.06021	1.0
136.03917	1.0
136.07591	2.5
137.06000	2.1
138.03740	25.2
138.98500	2.3
139.02142	6.4
140.01654	1.6
140.05315	11.0
140.07028	1.1
141.00029	4.8
141.03688	1.8
142.03233	3.0
144.99583	1.9
145.02846	12.0
145.06093	2.6
147.04427	1.4
147.11783	1.1
149.05975	1.3
150.03777	3.6
153.06627	3.3
154.08633	1.2
155.08199	3.5
156.04807	3.0
157.03217	8.5
164.07088	2.8
165.09140	1.3
166.03236	87.2
167.01630	15.4
168.04802	19.5
170.08055	1.1
171.04810	1.7
173.02731	5.0
173.81905	1.0
177.05478	23.8
179.08099	1.2
181.06136	2.2
182.06412	3.7
182.08046	1.1
184.04298	11.0
194.02739	13.1
195.01151	2.5
195.06410	8.1
196.04080	1.2
198.05850	9.7
199.04041	6.6
199.07120	1.5
211.07216	1.3
212.03879	5.8
216.06949	12.4
222.05873	2.3
223.05383	25.3
223.07254	5.8
241.06364	5.0
245.05959	5.2
250.05376	9.1
251.09229	5.0
255.08385	3.9
257.07684	2.0
266.85013	1.3
269.05933	88.2
269.10080	8.5
278.04810	2.2
282.34784	1.0
283.07520	16.5
287.06992	8.1
295.07507	2.5
301.08545	100.0
326.37860	1.2
327.10251	1.7
341.08142	6.2
353.08041	2.6
373.10684	30.8
373.15146	2.1
385.10892	1.2
399.08627	1.5
416.11224	4.4
430.12466	1.6
448.13342	9.8
448.24936	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	447.3836
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05515	6.9
57.07076	6.6
64.72028	0.8
65.03940	0.8
67.05509	1.8
69.07078	7.6
69.83172	4.1
71.08646	4.7
79.05499	1.0
81.07050	3.5
83.04990	26.0
83.08609	3.6
85.10180	3.1
89.25437	0.7
91.05475	1.9
93.07041	5.2
95.08590	3.4
97.10177	2.9
98.21445	1.0
99.08104	1.7
105.07075	1.0
107.08615	3.1
109.06488	2.5
109.10154	1.6
111.08086	3.2
111.11711	1.7
121.06518	14.9
121.10194	1.2
123.04472	0.9
123.08064	1.5
127.07561	6.0
131.53656	0.7
135.08083	7.6
137.09613	3.8
139.07552	40.2
149.09637	2.7
151.07576	1.5
153.09100	6.1
159.11696	1.2
163.07564	7.0
163.11259	1.4
165.09178	3.2
167.10699	1.8
169.08644	1.8
173.20528	0.8
177.09137	1.2
177.12804	1.4
180.07654	0.9
181.08598	9.1
181.12236	1.8
191.10823	1.2
195.13785	1.6
237.14806	1.0
289.05188	0.8
321.24323	0.9
387.36426	1.1
429.37250	2.4
447.38367	100.0
448.38489	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3835
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05516	40.3
57.06822	6.3
57.07079	73.9
63.53065	4.2
67.05494	7.7
69.07072	94.2
69.33889	32.8
71.08636	71.4
75.65760	4.0
81.07055	11.8
83.08621	76.8
84.55104	4.1
85.10178	36.7
92.18647	3.9
95.08590	12.5
97.10176	66.9
99.11739	8.2
103.21838	4.0
107.08563	9.9
109.10181	9.3
111.11723	53.0
121.06512	4.4
125.13271	15.7
131.33923	3.8
135.08049	7.9
137.09624	10.0
139.07570	29.3
139.14774	6.3
145.10052	4.1
149.02350	100.0
149.09627	8.8
151.07552	21.9
152.58701	4.7
153.09102	17.7
153.16386	4.9
163.07556	5.9
163.11232	7.7
165.09120	75.7
167.03421	15.7
169.08632	7.3
175.62126	4.0
177.09099	9.2
181.08588	36.0
191.10680	9.6
201.10817	4.3
205.12338	7.1
281.14117	3.9
284.41147	4.2
367.16156	4.0
429.37192	25.2
430.37964	6.3
447.26144	4.3
447.38385	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.01880	2.5
55.05514	13.7
57.07071	1.8
67.05507	30.5
69.03426	3.4
69.07066	10.3
69.57289	9.1
71.04997	3.5
79.05495	28.1
81.03421	12.5
81.07062	52.1
83.04976	4.4
83.08623	7.6
85.06539	4.3
91.05480	31.9
93.07056	45.5
95.04981	11.8
95.08612	63.7
97.06530	6.2
97.10180	6.3
98.20778	4.2
99.08099	2.0
105.06494	1.6
105.07037	46.0
107.04965	4.7
107.08597	42.5
109.06518	6.3
109.10162	39.8
111.08091	7.2
115.05451	4.4
117.07030	17.4
119.08585	46.4
121.06512	3.1
121.10155	31.7
123.08096	4.9
123.11705	6.2
125.09644	10.0
128.06218	7.5
129.07013	12.3
130.07829	2.0
131.08569	27.7
133.06421	1.9
133.10143	33.4
135.08055	4.0
135.11685	16.9
137.09636	4.0
137.13252	2.3
141.06987	4.6
142.07809	8.3
143.08562	29.0
144.09315	3.9
145.06487	4.9
145.10136	46.9
147.08072	7.0
147.11697	24.6
149.09615	3.9
149.13245	13.2
151.11180	4.6
153.06963	2.1
153.12605	2.0
154.07726	2.3
155.08568	10.9
156.09355	7.5
157.10143	32.9
159.08099	8.7
159.11696	38.9
161.13263	17.8
163.11159	5.7
163.14844	7.1
165.07034	4.1
167.08594	4.6
169.10141	21.2
170.10918	4.4
171.08041	5.3
171.11696	26.1
173.05972	3.2
173.09602	9.5
173.13275	28.5
175.11226	4.6
175.14850	5.4
177.12741	8.9
179.08626	4.5
181.10094	11.6
181.12288	2.1
182.10985	3.1
183.07976	2.8
183.11697	24.1
185.09639	5.9
185.13287	46.0
187.11220	2.2
187.14838	24.6
189.16428	5.6
191.14377	4.0
193.10187	5.3
193.12183	3.9
195.11708	13.3
196.12515	4.4
197.09673	4.4
197.13271	15.6
198.14056	2.6
199.11220	7.6
199.14815	19.9
201.12718	3.5
201.16441	8.2
203.14336	7.6
203.17761	1.9
205.15906	2.7
207.11728	6.1
209.09779	3.6
209.13258	9.6
210.14168	2.3
211.14825	13.5
213.12740	3.2
213.16402	14.8
214.17262	2.6
215.10704	2.5
215.14380	2.2
215.17963	5.8
217.15938	3.2
217.19534	5.4
221.13298	6.6
221.15443	2.0
223.11179	2.8
223.14890	8.1
225.12880	2.0
225.16438	10.6
227.10577	2.5
227.14578	2.5
227.17957	27.0
229.10144	4.1
229.15884	4.5
231.11690	4.2
231.17586	3.8
233.13275	3.7
235.11269	2.1
235.14835	3.9
237.16359	7.5
239.10703	3.0
239.18015	9.1
241.15903	2.3
241.19547	3.0
242.10945	2.3
243.11864	3.1
243.17473	4.0
244.12402	3.9
245.09438	2.0
245.13425	2.9
245.19025	34.8
246.14073	2.4
249.16548	4.4
251.18016	7.6
253.19514	6.6
255.11737	3.2
255.17461	2.8
256.12524	3.5
257.19058	5.0
259.11133	4.1
259.14807	3.6
263.17975	3.8
265.19592	7.4
267.21066	8.3
269.09628	2.7
269.13220	3.4
269.19147	2.7
270.13965	3.0
271.14719	2.0
271.20670	3.0
277.19507	3.1
279.20993	3.0
281.19012	7.9
282.13873	2.9
283.11206	3.8
283.14890	3.8
283.20728	3.2
284.15668	4.4
285.12708	2.7
285.16211	2.5
289.15936	2.2
291.20978	4.2
293.22589	9.3
295.20584	4.9
295.23990	3.3
297.12766	10.4
297.15900	2.5
297.25830	2.6
298.13470	3.4
299.14383	5.1
299.17816	3.7
301.15955	2.5
305.22583	2.3
307.24149	11.3
309.22083	4.4
311.14368	3.9
311.23587	18.7
312.15070	8.7
313.15826	13.4
315.17609	3.2
321.25696	12.7
323.23785	2.8
323.27344	5.1
325.25305	12.4
326.16571	3.7
327.17526	16.8
328.18124	4.4
329.15332	3.8
333.25806	18.8
339.23294	2.8
339.26807	19.9
341.19006	4.9
341.28375	3.1
351.26849	70.1
359.20032	3.4
367.26291	4.5
369.18457	5.7
369.27859	42.5
373.23758	2.7
379.26392	10.6
387.19562	60.4
387.29144	5.2
388.19748	4.6
397.27246	7.0
403.24484	2.0
415.28458	100.0
416.28760	3.3
429.26343	2.4
447.21613	71.1
447.27521	21.4
448.22076	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	447.251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34064	1.4
53.03945	2.6
55.01874	3.0
55.05518	23.2
57.03444	25.1
57.07072	7.2
65.03946	1.5
67.05512	49.1
67.23270	1.2
69.07076	20.0
69.30302	3.3
69.30709	10.1
71.04987	1.2
71.08639	3.4
79.05500	27.7
81.07063	50.6
83.05020	1.7
83.08621	13.3
85.06537	1.6
90.81444	1.3
91.05482	13.2
93.07050	34.8
95.08617	42.7
97.06515	2.7
97.10194	7.5
98.98480	16.6
99.08092	1.9
105.07047	10.1
107.08600	19.8
109.10172	16.8
111.08061	2.9
113.00028	78.4
117.07045	2.4
119.04923	3.0
119.08576	8.4
121.10155	15.8
123.08034	1.5
123.11713	7.5
131.08566	7.2
133.10156	7.8
135.11702	10.4
137.00002	19.6
137.13254	2.7
143.08629	1.6
145.09152	1.4
145.10112	7.0
147.04416	4.5
147.11681	3.9
149.13235	6.6
155.01057	13.4
159.11693	4.9
161.13297	5.1
163.14883	2.3
169.02612	26.3
173.13246	5.0
187.03708	8.5
187.14879	2.6
193.02565	1.9
211.03804	1.9
215.17969	1.7
219.21312	1.5
237.22113	4.8
243.21078	8.9
251.20206	2.2
261.22183	14.0
275.23645	1.4
279.23154	1.9
311.25916	12.7
317.24716	3.8
335.25821	100.0
336.25708	1.4
414.55011	1.4
429.23599	2.2
447.25162	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	447.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
54.06335	1.0
55.01863	1.7
55.05501	4.3
57.03439	1.4
67.05505	6.9
69.03429	2.4
69.07079	4.4
71.04986	2.1
71.55480	1.3
77.03925	1.2
79.05495	5.3
81.03414	3.5
81.07072	8.0
83.04987	2.0
83.08611	2.8
85.02910	1.6
85.06530	2.8
91.05482	6.9
92.06888	0.9
93.07044	8.2
95.04984	5.8
95.05481	0.9
95.08618	6.7
97.06543	2.7
97.10168	1.6
99.04439	1.1
103.04791	2.0
103.05474	40.2
104.19595	0.9
105.04524	0.9
105.07047	12.3
107.04982	1.4
107.08588	7.0
109.06515	4.0
109.10177	3.5
111.08061	2.8
112.31924	0.8
113.05995	1.2
115.05493	1.1
117.07011	2.5
119.08586	12.4
121.06508	3.5
121.10169	7.4
123.08075	2.8
123.11686	1.0
125.05994	1.0
125.09618	1.1
128.06247	1.1
129.06998	4.5
130.07748	1.8
131.04936	100.0
131.08604	8.4
133.06487	1.4
133.10139	11.8
135.08073	2.9
135.11688	4.2
137.05974	1.6
137.09645	1.1
141.07014	1.6
142.07784	4.9
143.08565	8.2
145.06487	1.9
145.10155	10.5
147.08069	4.8
147.11697	7.6
149.02283	1.2
149.09636	7.7
149.13246	1.4
151.11220	1.2
153.08961	1.0
155.08511	3.2
156.09372	5.9
157.10121	9.7
158.10936	1.7
159.08061	3.9
159.09320	1.0
159.11717	7.6
161.09647	9.1
161.13274	2.9
163.11140	2.6
167.08542	1.9
167.10680	1.1
169.10159	4.4
170.10905	2.3
171.08092	2.2
171.11714	14.8
173.09668	2.8
173.13275	10.9
175.11154	5.4
175.14821	1.4
177.09207	1.3
177.12747	1.5
179.08533	1.5
179.10677	2.0
182.10953	3.6
183.11705	3.3
184.12387	2.4
185.09651	6.0
185.13313	4.4
186.10390	1.1
187.11180	3.1
187.14827	1.9
189.09128	1.2
189.12721	2.6
191.14191	1.9
193.12271	2.4
197.09659	1.8
197.13310	9.9
198.10320	2.1
199.11154	3.3
199.14844	9.1
201.12752	7.4
203.10635	2.4
203.14380	2.0
205.12233	2.8
205.15877	1.1
207.12030	1.0
207.13824	5.1
209.13248	2.4
209.15114	0.9
212.11990	2.0
215.14323	10.6
217.15906	8.8
219.13824	5.4
227.14320	15.1
233.15344	3.0
235.16928	2.1
239.37476	1.0
245.15385	32.3
251.16412	1.2
257.13107	1.1
263.16437	26.8
281.17477	11.7
311.14163	1.0
343.16977	1.1
355.22763	1.5
387.19577	2.8
411.21411	1.9
447.22479	7.7
447.28061	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
54.06335	1.0
55.01863	1.7
55.05501	4.3
57.03439	1.4
67.05505	6.9
69.03429	2.4
69.07079	4.4
71.04986	2.1
71.55480	1.3
77.03925	1.2
79.05495	5.3
81.03414	3.5
81.07072	8.0
83.04987	2.0
83.08611	2.8
85.02910	1.6
85.06530	2.8
91.05482	6.9
92.06888	0.9
93.07044	8.2
95.04984	5.8
95.05481	0.9
95.08618	6.7
97.06543	2.7
97.10168	1.6
99.04439	1.1
103.04791	2.0
103.05474	40.2
104.19595	0.9
105.04524	0.9
105.07047	12.3
107.04982	1.4
107.08588	7.0
109.06515	4.0
109.10177	3.5
111.08061	2.8
112.31924	0.8
113.05995	1.2
115.05493	1.1
117.07011	2.5
119.08586	12.4
121.06508	3.5
121.10169	7.4
123.08075	2.8
123.11686	1.0
125.05994	1.0
125.09618	1.1
128.06247	1.1
129.06998	4.5
130.07748	1.8
131.04936	100.0
131.08604	8.4
133.06487	1.4
133.10139	11.8
135.08073	2.9
135.11688	4.2
137.05974	1.6
137.09645	1.1
141.07014	1.6
142.07784	4.9
143.08565	8.2
145.06487	1.9
145.10155	10.5
147.08069	4.8
147.11697	7.6
149.02283	1.2
149.09636	7.7
149.13246	1.4
151.11220	1.2
153.08961	1.0
155.08511	3.2
156.09372	5.9
157.10121	9.7
158.10936	1.7
159.08061	3.9
159.09320	1.0
159.11717	7.6
161.09647	9.1
161.13274	2.9
163.11140	2.6
167.08542	1.9
167.10680	1.1
169.10159	4.4
170.10905	2.3
171.08092	2.2
171.11714	14.8
173.09668	2.8
173.13275	10.9
175.11154	5.4
175.14821	1.4
177.09207	1.3
177.12747	1.5
179.08533	1.5
179.10677	2.0
182.10953	3.6
183.11705	3.3
184.12387	2.4
185.09651	6.0
185.13313	4.4
186.10390	1.1
187.11180	3.1
187.14827	1.9
189.09128	1.2
189.12721	2.6
191.14191	1.9
193.12271	2.4
197.09659	1.8
197.13310	9.9
198.10320	2.1
199.11154	3.3
199.14844	9.1
201.12752	7.4
203.10635	2.4
203.14380	2.0
205.12233	2.8
205.15877	1.1
207.12030	1.0
207.13824	5.1
209.13248	2.4
209.15114	0.9
212.11990	2.0
215.14323	10.6
217.15906	8.8
219.13824	5.4
227.14320	15.1
233.15344	3.0
235.16928	2.1
239.37476	1.0
245.15385	32.3
251.16412	1.2
257.13107	1.1
263.16437	26.8
281.17477	11.7
311.14163	1.0
343.16977	1.1
355.22763	1.5
387.19577	2.8
411.21411	1.9
447.22479	7.7
447.28061	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	446.2615
Annotation	Asn-Leu-Leu-Ser
Peak:m/z	Relative Intensity
58.06607	0.4
60.04535	2.6
69.03423	0.4
69.07075	3.9
69.34466	2.6
70.02944	0.3
70.06588	1.4
71.79708	0.3
72.08174	1.7
74.02448	1.5
79.05512	0.3
80.46755	0.3
81.03416	0.4
81.07025	0.3
82.06571	0.4
84.08169	0.4
85.02908	0.9
86.09711	100.0
86.18635	0.3
87.05599	7.1
87.10033	0.4
88.03996	0.7
95.08564	0.5
96.88871	0.3
97.02857	0.5
99.04409	0.4
100.07639	0.6
103.05452	0.4
104.15284	0.3
107.69308	0.3
110.09713	0.4
116.03496	1.0
124.07645	0.4
125.10743	0.3
127.03951	0.4
128.10744	1.7
129.27672	0.4
131.04959	1.1
133.06104	25.5
138.08707	0.3
144.24068	0.3
150.05614	0.4
151.03928	0.5
152.07039	0.4
155.11827	1.3
157.20828	0.3
163.07564	0.8
167.07069	0.8
170.06401	1.2
171.06697	1.0
173.12871	17.0
183.11296	3.7
197.08195	0.4
198.08087	0.3
199.09619	0.5
200.13939	0.4
201.12373	9.8
228.13550	1.0
229.11861	3.7
234.54337	0.4
246.14519	22.9
251.17607	0.5
269.18713	0.5
296.19708	14.1
297.19919	0.3
298.13992	0.7
314.20825	1.0
315.16733	0.7
316.14944	0.6
333.17734	5.5
347.59222	0.4
353.56235	0.3
360.02695	0.4
428.25293	0.8
429.23471	1.1
446.19534	0.5
446.26352	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	446.1661
Annotation	THIOPROPAZATE
Peak:m/z	Relative Intensity
53.03952	7.3
55.01873	12.6
57.03445	7.2
60.04520	1.5
61.02937	5.4
66.50816	0.9
67.05504	2.4
68.99781	3.6
69.03436	32.9
71.04998	5.5
71.55275	1.5
73.02930	8.9
79.05492	1.9
81.03423	37.2
81.07041	2.6
83.01360	1.6
83.04955	1.4
83.33037	1.0
85.02911	100.0
87.00837	35.6
87.04447	1.2
91.03918	1.8
91.05479	3.9
93.07058	5.6
95.04955	1.0
95.08573	1.2
97.02902	38.6
99.04461	18.8
103.03974	1.8
103.05467	7.9
105.01186	1.8
105.01879	30.8
105.07044	2.4
107.04953	2.6
107.08627	1.2
108.04498	8.2
109.02891	34.5
115.03912	1.2
117.01846	5.7
119.08541	1.1
121.06519	14.1
121.10173	1.3
125.02341	2.3
126.05504	4.1
127.03929	78.4
129.01845	4.0
131.04892	1.7
133.10147	1.1
135.08084	2.1
137.05945	1.1
140.04689	19.8
145.04971	52.3
145.10080	1.3
147.02887	4.3
147.04350	1.2
147.08089	1.0
149.06001	14.5
153.05489	10.1
159.02907	28.4
159.11731	1.2
163.07492	1.3
166.85802	1.1
177.03983	2.6
181.08611	97.6
189.03943	3.1
196.87767	1.3
197.11772	1.3
198.12137	2.2
205.08611	5.3
213.03943	3.6
223.09619	1.4
230.06610	3.0
231.05038	20.8
231.13762	3.6
247.09697	2.3
248.07713	6.5
249.06079	1.8
249.14734	1.7
266.08905	1.7
267.15762	1.1
283.42584	1.1
284.16345	1.5
289.10712	3.0
303.05014	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10293	0.5
53.03941	1.2
55.01875	0.7
55.71979	0.5
60.05633	0.9
62.06062	0.5
63.81547	0.5
64.85934	0.5
67.05490	1.1
68.07208	0.6
69.03430	2.0
69.07060	1.0
69.54527	3.5
70.06590	1.5
71.04967	0.8
72.08140	1.5
79.05519	1.0
81.03416	1.5
81.07040	1.4
82.06531	0.5
85.02912	3.3
86.03239	0.6
86.09698	3.9
87.00832	1.3
87.60852	0.5
91.05450	0.7
93.07063	1.1
93.86486	0.5
95.04974	0.6
97.02894	1.7
97.06525	0.7
99.04460	1.3
102.87275	0.6
103.05469	38.4
105.01852	1.2
105.07066	1.2
107.08566	1.7
108.08942	0.6
109.02874	2.0
109.10112	0.6
109.38792	0.5
116.07103	1.0
117.07014	0.5
120.50140	0.5
121.06507	0.7
124.07581	0.7
127.03907	2.9
130.04988	0.6
130.06575	0.5
131.04930	100.0
133.06477	0.6
133.10152	0.8
135.07968	0.7
136.07582	0.8
137.05992	1.6
143.01700	0.6
145.04953	1.5
149.02385	1.2
152.07072	0.9
163.03931	8.6
163.07542	41.9
165.09131	0.8
175.07503	0.6
181.04939	0.8
197.11742	2.2
198.12125	1.4
231.13802	0.9
249.11264	0.5
249.14899	0.9
267.12234	0.6
332.20856	0.6
446.16013	0.9
447.18243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01875	2.5
57.03444	1.4
60.04517	0.5
61.02923	1.1
65.03942	0.5
67.05515	0.8
68.99776	0.7
69.03439	3.7
69.07060	0.7
70.06580	0.5
70.56107	0.9
71.01337	0.5
71.04996	1.7
72.08159	0.8
73.02934	1.6
74.86490	0.4
77.03923	0.6
79.05509	2.4
81.03420	5.3
81.07067	1.7
82.00690	0.4
83.04964	0.6
85.02913	10.6
85.84881	0.5
86.06080	0.9
86.09725	0.8
86.73853	0.5
87.00829	4.4
91.03967	0.7
91.05454	1.1
93.07036	1.6
95.04983	1.7
95.08607	0.9
97.02895	5.8
97.06529	1.2
98.06073	0.5
99.04466	3.3
101.01395	0.4
103.05513	0.7
105.01898	2.6
105.07043	1.8
107.04958	3.6
107.08601	1.0
108.04478	2.2
109.02890	5.7
109.06547	0.8
116.10795	0.5
117.01910	0.7
117.06982	0.6
121.02869	1.4
121.06514	0.8
123.08105	0.5
124.07581	0.7
126.05502	0.9
127.03925	6.7
129.07030	0.7
130.05023	0.8
131.04926	1.2
131.08604	1.0
133.02907	2.3
133.06532	0.5
133.10103	1.3
135.04439	3.5
135.08026	1.1
137.06010	1.3
142.07820	0.7
143.07268	0.4
143.08562	1.3
145.04968	2.7
145.10118	1.0
149.02354	100.0
151.07545	0.8
152.07054	1.2
157.08652	0.5
157.10133	1.6
159.02927	3.2
159.06570	0.8
159.11633	0.8
161.09607	1.2
163.03918	66.5
163.11203	0.6
164.04259	0.6
167.03397	0.9
167.08618	0.5
169.08670	1.1
171.08023	0.6
179.10698	1.0
180.10294	0.7
181.04970	45.8
185.09633	3.0
187.11224	0.5
189.09048	2.3
194.47234	0.5
203.10686	1.9
207.10159	0.5
213.04083	0.6
213.09117	3.0
230.06509	0.8
231.04974	1.4
231.10173	4.8
231.13713	0.6
248.07597	1.1
249.11237	9.1
249.14876	1.1
267.12241	2.1
304.97949	0.5
314.19724	0.8
332.20511	1.1
353.54333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.7
55.01863	8.7
55.05235	1.7
55.05510	44.1
57.07076	46.2
67.05164	2.6
67.05500	19.7
67.35174	2.1
69.07069	81.5
71.04745	3.8
71.08633	29.1
79.05490	20.3
81.07054	62.7
81.07523	3.6
82.25662	1.9
83.04987	4.4
83.08620	50.0
85.06541	2.6
85.10185	15.2
89.81647	2.1
91.05480	12.4
93.07044	33.7
95.08611	55.4
97.06506	5.2
97.10174	34.2
105.07013	5.6
107.08600	30.3
109.06522	5.7
109.10149	23.2
111.08092	11.3
111.11711	21.6
119.08549	8.3
121.06494	6.7
121.10121	16.2
123.08079	9.0
123.11723	10.3
124.05204	2.9
125.09620	3.1
125.13278	7.6
133.10120	4.4
135.08104	4.3
135.11694	14.2
137.05969	10.8
137.09595	4.3
137.13254	6.5
139.07541	100.0
145.10081	4.7
147.08032	3.7
147.11740	3.1
149.09563	5.9
149.13232	15.7
151.07549	11.8
151.14745	3.1
157.10117	2.5
159.11635	2.8
161.09563	3.8
161.13177	2.7
163.07553	3.2
163.11113	2.7
163.14830	12.5
165.05487	16.4
165.09131	31.6
167.07080	2.7
171.11638	2.5
173.13219	2.0
175.07550	1.9
175.11214	6.8
177.09065	3.9
177.16364	3.3
179.17912	1.8
181.08594	3.8
181.19763	1.8
185.13278	2.6
189.12770	4.2
191.10635	2.6
193.08633	16.8
195.17537	2.1
203.10555	9.6
203.14406	2.4
205.12213	5.8
217.12184	6.2
221.11720	5.7
226.73868	2.4
231.13731	5.8
235.13126	2.4
241.98744	2.1
258.76541	2.0
289.28967	17.1
307.29980	22.9
348.39972	2.0
395.91879	2.1
399.36328	7.1
409.35019	2.2
417.37216	8.3
427.35712	9.1
445.36728	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
54.51240	2.2
55.01868	7.2
55.05515	39.2
57.06828	3.5
57.07080	47.9
65.14474	2.3
67.05498	18.9
69.07070	68.0
71.08637	34.7
71.46667	4.9
79.05492	11.5
81.07058	62.0
83.05004	4.4
83.08147	3.2
83.08624	50.9
84.69368	2.2
85.06522	3.5
85.10190	13.7
91.05496	9.3
91.40981	2.0
93.07054	24.2
95.04978	3.0
95.08611	43.5
97.06516	7.6
97.10170	30.1
99.04482	2.3
105.07056	4.0
107.08612	23.4
109.10168	22.8
111.08085	10.5
111.11745	20.8
119.08604	3.7
121.06493	9.8
121.10149	15.0
123.08064	6.8
123.11736	14.4
124.05191	3.2
125.13268	9.6
133.10112	5.4
135.08093	2.7
135.11710	15.0
137.05969	9.7
137.13258	5.8
139.07542	100.0
140.51640	2.6
147.11713	4.2
149.09671	4.0
149.13284	18.6
151.07516	11.5
151.14847	2.7
163.14886	14.7
165.05493	12.0
165.09129	21.1
171.11703	2.7
175.11176	4.2
176.93559	2.5
177.09100	3.7
177.16354	6.9
179.10582	2.8
181.08636	3.9
191.17987	3.2
193.08618	21.8
203.10606	5.1
217.12248	5.9
219.13786	4.2
221.11729	5.2
231.13794	5.8
233.15390	2.9
289.28934	22.0
307.29959	31.9
417.37338	5.5
427.35938	12.0
445.36816	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
55.01854	6.0
55.05514	36.0
55.72568	3.5
57.07084	39.4
67.00898	3.9
67.05514	28.6
69.06732	4.2
69.07072	78.4
71.08627	28.3
71.56107	5.3
71.84262	4.0
79.05482	24.5
81.07057	89.0
83.08621	40.9
85.10188	24.3
91.05466	18.2
93.07050	38.0
95.08617	83.4
97.10186	27.0
105.07028	48.0
107.08590	54.5
109.06499	10.0
109.10167	51.2
111.11699	13.4
117.07010	8.2
119.08597	45.3
121.10155	51.4
123.08041	6.6
123.11694	23.5
125.13217	6.8
131.08589	31.6
131.77000	3.3
133.10152	41.8
135.08009	9.3
135.11687	28.9
136.95984	3.6
137.05919	8.5
137.09578	5.9
137.13245	11.3
139.07544	15.7
143.08507	10.0
145.10127	41.9
147.11688	30.5
149.09619	6.8
149.13284	26.6
151.07513	6.4
151.83817	3.4
155.06989	19.5
157.10127	13.5
159.11696	32.2
161.13260	23.4
163.11189	5.9
163.14806	17.1
165.09129	52.8
169.10249	4.9
171.11661	11.6
173.09517	5.7
173.13300	11.5
175.11153	5.3
175.14807	5.5
177.09094	10.5
179.10635	5.2
185.13213	10.4
187.11128	4.6
187.14830	11.5
189.16333	11.1
191.10698	18.9
197.13220	4.3
199.14888	5.9
201.16310	10.1
203.17944	10.2
205.12257	11.3
207.13768	4.2
219.13844	4.6
227.17822	6.7
231.13708	5.3
231.74081	4.3
233.15314	9.3
233.22615	6.4
245.15305	8.9
247.17090	4.5
247.24207	8.4
261.25674	7.9
263.16556	3.7
273.18472	7.5
283.68457	3.9
287.20050	9.5
287.27206	6.4
291.19464	4.8
305.21274	4.2
341.31964	13.6
342.38132	4.0
343.33521	31.0
344.11084	3.9
367.33417	6.0
385.34616	8.4
409.34729	5.7
427.35638	62.4
430.17752	8.8
445.19958	38.1
445.36865	100.0
446.20737	5.6
448.26392	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	445.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
53.20613	0.7
55.01867	2.1
55.05494	0.9
57.03423	1.8
57.07067	0.7
59.05006	0.8
61.02918	1.1
67.05521	3.4
68.99793	1.2
69.03429	8.0
69.07066	1.2
71.04993	1.5
71.55802	0.7
79.05486	2.4
81.03423	5.3
81.07062	7.1
83.04983	1.6
84.08141	1.8
85.02906	16.4
85.06535	1.5
86.09706	1.1
87.00837	5.2
91.05477	2.8
93.07054	4.7
95.04975	18.6
95.08620	6.7
97.02887	6.7
97.06528	0.7
99.04456	2.8
103.03902	0.8
105.01885	4.4
105.07053	3.8
105.68331	0.8
107.04949	2.5
107.08598	8.2
109.02874	7.4
109.06510	2.8
109.09460	1.0
109.10163	12.8
111.04462	2.0
115.05447	1.3
119.08578	2.1
121.06481	1.4
121.10150	1.9
123.04441	1.1
123.08076	2.4
123.11714	18.3
125.05995	1.5
127.03927	11.7
129.06999	1.1
129.94583	0.6
131.08563	1.0
133.06541	1.3
133.10130	6.4
135.08005	1.0
135.11682	2.5
137.06009	3.5
137.09627	19.5
145.04964	2.1
145.10138	0.7
147.08080	0.8
149.09564	0.7
150.14931	0.7
151.11203	9.3
155.06064	0.7
159.02910	1.2
159.08003	1.5
159.11604	1.0
161.05940	1.9
161.09633	3.3
167.07080	10.0
167.10712	0.9
169.07610	2.9
175.07558	2.4
179.10686	75.8
187.07549	4.1
191.07089	0.9
193.07683	1.5
195.05557	3.1
196.06239	0.8
197.11748	100.0
199.07541	0.8
213.03908	0.9
213.06593	1.8
217.08641	3.0
221.07204	1.2
225.06566	4.1
229.06157	0.9
231.04967	2.9
231.08020	1.1
234.06931	1.1
239.08011	1.1
245.86101	0.7
246.06853	0.7
247.09636	0.8
248.13654	1.0
249.06731	0.9
249.09172	2.0
251.07185	1.0
253.06033	1.5
265.14368	1.1
265.17899	0.7
267.07654	1.7
271.07068	1.3
277.08734	1.7
281.11728	1.1
283.15314	1.0
285.08731	4.6
293.08090	0.8
293.11801	0.8
295.07101	3.4
306.08807	1.3
309.11243	2.1
312.59702	0.7
313.08224	4.9
321.11176	1.8
323.09103	0.7
326.11603	2.2
331.09412	1.0
340.13000	1.1
341.13910	5.0
352.13110	0.7
353.13876	1.7
359.02856	1.1
368.08990	1.2
384.62280	0.7
385.11438	2.4
410.09909	1.6
427.12448	4.8
427.17780	1.0
428.10922	2.3
445.13452	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	445.1107
Annotation	3'-O-Methylderhamnosylmaysin
Peak:m/z	Relative Intensity
58.47256	2.6
58.52855	2.5
60.29988	2.8
63.38934	2.8
65.52319	3.3
69.25986	26.4
85.02917	6.5
96.88711	3.1
126.77967	3.2
134.62422	3.1
196.11046	2.8
211.36546	2.8
281.66397	2.9
445.11044	100.0
445.17749	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.6
55.01860	2.9
56.96566	17.8
57.03425	7.6
61.02909	7.8
62.22303	2.2
62.88040	2.4
67.05508	2.6
69.03433	27.1
69.07053	2.9
70.06587	7.5
71.04984	2.9
71.54843	3.2
73.02911	7.3
73.04757	13.6
81.03412	11.0
81.07045	5.5
84.04491	4.2
84.08139	5.2
84.96035	4.1
85.02431	4.1
85.02905	54.8
86.03234	3.3
86.06062	7.7
86.09679	2.7
87.04451	8.3
91.03960	2.9
91.05814	25.8
95.04971	4.1
97.02895	25.2
97.06529	5.7
98.96944	4.3
98.97588	86.6
99.04457	6.2
100.07603	5.6
103.03894	2.2
109.02867	7.4
110.97570	18.1
112.99137	5.6
116.98634	22.9
119.01879	2.7
123.04435	2.4
123.05555	3.9
125.05988	8.4
127.03934	18.6
128.02364	2.9
128.98642	11.7
129.10277	3.3
130.08618	2.5
134.99702	3.3
136.06165	2.7
143.00116	5.5
145.04970	11.4
146.99641	7.3
147.03333	2.7
147.04466	6.2
149.01237	2.5
149.04486	3.9
152.02274	2.8
152.04195	2.6
152.98676	2.4
155.04581	2.9
156.03331	3.1
158.99666	31.1
159.04897	4.3
161.01289	5.9
161.02789	4.2
161.04642	10.2
162.99181	2.6
163.02689	2.4
163.03893	3.0
167.05540	11.1
168.05437	8.2
170.99651	9.8
174.04353	2.9
177.00674	17.0
177.05438	3.5
181.04433	8.0
182.03285	4.4
182.83932	2.3
186.04442	6.8
187.02809	4.7
189.00624	4.9
189.04175	8.1
190.04955	21.6
191.03931	3.2
201.00681	8.0
201.04376	3.1
203.02354	2.8
204.05261	5.5
205.03716	3.1
219.01756	53.2
225.04288	7.6
227.02299	3.9
229.03757	2.6
232.07816	7.8
233.06935	3.1
237.00470	3.6
237.02818	51.0
245.11368	3.3
246.17986	3.9
254.08211	3.1
262.07092	12.0
263.04428	2.8
271.04959	3.2
271.07556	36.7
271.57715	5.0
274.06903	2.6
275.04605	2.5
284.10519	3.6
289.06009	6.8
291.07382	5.5
303.07367	6.0
307.07095	3.5
307.10358	5.4
308.04745	2.6
309.08539	11.3
312.09717	8.9
312.59872	7.0
313.02750	3.9
313.10428	100.0
313.60602	24.7
316.07098	4.0
319.07022	24.8
319.10651	7.5
320.11310	2.7
337.08060	16.2
342.10861	11.3
343.03607	5.6
352.10242	3.4
359.02859	24.4
359.09714	4.6
361.07910	5.5
361.38666	2.8
373.03925	3.2
377.07501	5.9
397.08325	3.0
404.09720	2.6
415.09412	3.6
421.10013	8.1
445.09955	19.0
445.24057	5.9
463.10941	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	444.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.05513	1.5
56.36515	0.2
60.82209	0.2
65.07124	0.2
67.05493	0.8
68.05018	0.6
69.03425	0.4
69.07057	0.4
70.06606	1.9
70.13100	0.8
70.80547	0.2
72.08146	0.3
77.03917	0.2
79.05499	4.3
80.05016	2.2
81.05800	7.1
81.07060	3.8
82.06590	0.6
83.04984	0.4
84.29209	0.2
85.02901	1.0
86.09701	0.4
91.03952	0.4
93.07060	0.3
94.06577	1.7
95.04974	0.5
95.08611	4.0
96.04514	0.8
96.08134	19.2
97.02920	0.6
97.06513	0.6
98.21533	0.3
99.08121	1.2
106.06554	3.5
106.27639	0.3
107.04951	0.4
111.11071	0.3
113.09628	1.6
115.07532	0.3
120.08083	0.4
122.06005	0.4
123.08083	3.4
124.07595	100.0
125.07926	0.6
127.03903	0.5
132.74614	0.3
136.07593	0.6
140.10017	0.3
141.09106	9.9
143.11821	0.3
145.04855	0.3
147.04559	0.3
159.10170	25.1
163.03900	0.3
177.05547	0.3
203.10318	0.6
208.38185	0.2
216.16977	0.3
241.15057	0.2
249.02513	0.3
282.11627	0.6
286.13019	0.3
321.15573	1.1
359.02875	0.3
359.09656	0.3
444.22589	0.4
445.12805	0.4
450.53644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48061	3.6
55.01874	7.1
56.96562	11.7
57.03429	13.0
61.02927	15.0
69.03430	48.1
70.03728	3.9
70.06591	10.0
70.68862	8.1
70.69197	4.5
71.05005	4.6
72.08162	4.1
73.02924	26.5
81.03406	14.9
82.99805	3.2
85.02438	5.6
85.02912	100.0
86.03209	4.5
87.04437	4.7
91.03974	8.8
97.02898	42.8
98.03162	4.9
98.97596	61.3
99.04462	10.8
101.00812	4.9
101.21383	3.3
105.03419	10.3
109.02888	7.9
110.97574	23.7
112.99091	4.2
116.07072	13.3
116.98597	13.5
119.01868	8.9
120.02014	5.2
123.47661	3.4
123.52238	4.2
127.03934	49.2
128.98618	13.9
131.01802	6.0
140.98599	5.4
143.00172	6.7
143.01900	19.2
145.02884	5.3
145.04970	34.9
146.02243	8.9
146.52472	4.6
146.99649	5.4
147.04390	3.6
149.02888	4.0
155.01860	8.8
155.02980	4.8
155.53009	6.2
158.99649	23.7
161.02913	19.1
161.05591	6.3
163.03970	4.7
170.99667	27.7
173.02899	10.4
174.04544	4.1
177.00673	13.1
177.05498	5.4
182.03423	10.6
182.99634	6.2
183.05074	11.4
184.04883	4.1
185.02983	12.5
189.00693	23.1
191.03903	31.0
191.05472	5.0
191.54057	15.4
192.03984	5.6
192.05475	7.4
197.03036	6.5
200.04468	16.1
200.54543	7.9
201.00740	21.1
203.04033	13.8
216.01360	3.7
219.01828	22.5
220.06679	3.9
227.03957	4.9
237.02957	10.2
242.07866	6.7
243.01692	5.4
245.05116	41.9
246.05101	5.5
251.08545	11.1
257.04822	3.7
261.02838	13.7
262.03223	4.3
263.06137	10.7
263.56021	4.9
264.00427	4.8
264.07828	18.2
268.35336	4.2
272.06561	57.2
272.56714	68.6
273.08524	37.0
279.03946	10.8
281.07111	11.9
281.57288	16.2
282.01392	23.4
282.07404	7.5
321.04935	7.5
321.10379	7.2
362.59964	13.2
365.09189	10.8
366.09329	5.0
421.04047	4.6
425.11249	8.9
444.06616	13.9
455.12335	3.9
461.74326	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	443.3887
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
55.05518	20.2
57.07058	5.6
67.05512	29.1
67.07371	5.3
69.07060	21.8
70.72976	4.7
71.04993	21.8
71.08624	5.1
79.05495	22.0
79.14949	5.0
81.07063	75.2
83.08620	19.5
87.04468	8.9
89.20211	5.1
91.05487	17.0
93.07066	48.1
95.08614	100.0
97.10162	8.8
98.67860	4.9
105.07034	37.0
107.08594	61.8
109.10167	76.9
111.11733	8.8
113.12698	5.4
119.08600	38.7
119.92117	4.7
121.10143	59.2
123.11717	35.1
127.11201	20.8
131.08524	10.7
131.35518	4.9
133.10161	32.4
135.11699	58.9
137.13295	13.7
145.10136	14.0
147.11697	33.5
149.13261	42.0
153.12714	9.1
159.11707	21.1
159.68242	4.7
161.13245	27.5
163.14841	20.1
165.09169	11.7
165.12714	5.8
173.13309	15.1
175.14848	20.6
177.16440	21.4
187.14917	11.8
189.16376	19.4
191.17908	32.6
195.17415	12.1
201.16351	8.5
203.17949	17.5
215.18015	10.3
217.19495	10.0
229.19627	18.3
231.21129	10.8
257.22626	11.0
259.24075	7.1
283.24161	5.6
285.25806	6.1
407.36655	9.3
425.37814	95.0
431.08102	6.6
443.18411	6.9
443.33420	42.2
443.38760	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	443.3888
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
55.05508	11.3
57.07077	3.6
67.05516	11.6
69.07071	10.1
71.55583	2.9
79.05497	9.6
81.07065	26.8
82.14697	2.1
83.08617	15.7
87.04464	3.5
91.05498	6.5
93.07039	17.1
95.08609	41.0
96.08985	2.1
101.95912	2.4
105.07036	15.0
105.71709	2.2
107.08621	38.7
109.10173	39.0
119.08585	18.3
121.10158	100.0
123.11709	25.8
133.10155	24.0
135.11743	24.1
137.13258	13.7
145.10147	5.7
147.11697	12.6
149.13295	16.8
157.37329	2.3
159.11714	5.5
159.68217	2.4
161.13246	8.5
163.14835	8.6
165.12793	4.3
168.60222	2.0
173.13307	3.4
175.14832	8.5
177.16420	15.8
187.14897	4.6
189.16414	7.4
191.17982	6.9
201.16393	3.5
203.17912	5.3
215.17990	6.9
217.19464	4.2
229.19577	6.5
231.20995	4.5
243.21185	3.2
285.25760	4.4
287.27094	2.6
306.71884	2.6
407.36813	30.5
425.37875	43.4
443.18228	2.7
443.33405	19.7
443.39001	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	443.3885
Annotation	Hypodiol
Peak:m/z	Relative Intensity
55.05528	10.4
57.07062	11.3
67.05499	26.1
69.07067	25.9
69.58570	23.2
69.58985	17.0
78.37099	5.6
79.05492	20.5
81.07058	56.0
83.08618	20.0
85.60096	4.9
87.04464	11.8
91.05478	14.7
93.07050	36.0
93.13350	5.8
95.08611	83.8
97.10178	9.0
98.21479	11.3
105.07024	32.1
107.08603	60.2
109.10149	70.3
110.33876	5.8
119.08591	33.7
121.10154	100.0
123.11707	43.6
124.22513	6.4
131.08618	9.5
133.10155	36.0
135.11708	48.9
137.13268	13.4
145.10194	9.2
147.11726	18.6
148.91275	5.9
149.13268	39.4
153.12712	7.8
159.11676	14.3
161.13254	16.0
163.14807	21.0
173.13239	17.5
173.36177	6.7
175.14948	12.6
177.16371	24.1
184.37318	6.8
187.14825	12.3
189.16417	18.0
191.17892	18.0
201.16382	7.3
203.17978	12.8
215.17958	8.3
217.19598	12.4
229.19547	12.7
231.21007	10.5
233.18964	6.1
289.25165	7.0
407.36703	23.4
425.37875	73.0
443.33435	45.4
443.39124	20.0
459.65265	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	443.3884
Annotation	15Z,18Z,21Z,24Z,27Z-triacontapentaenoic acid
Peak:m/z	Relative Intensity
53.03944	3.9
55.05513	14.0
57.07082	8.8
67.05509	26.0
69.07072	41.0
71.04994	9.1
71.08643	3.1
79.05492	17.7
81.06583	5.2
81.07063	100.0
83.08629	15.9
85.06556	3.8
91.05488	15.6
93.07055	41.3
95.08610	87.6
97.06508	2.4
97.10176	9.9
99.08090	4.1
105.07028	28.2
107.08600	49.6
109.10167	75.2
111.08138	2.5
111.11726	3.7
114.85273	2.4
117.07046	5.8
119.08601	35.3
121.10149	47.9
123.11720	31.7
125.09615	3.2
127.11184	12.9
131.08595	10.6
133.10135	26.1
135.11720	34.7
137.09636	4.7
137.13284	13.4
144.48874	2.6
145.10149	11.4
147.11699	30.1
149.09644	4.6
149.13264	22.3
153.12773	6.7
157.10139	5.2
159.11681	13.4
161.13257	17.5
163.14821	16.6
165.09126	37.0
165.12804	2.7
167.14404	2.4
173.13303	9.5
175.14796	11.4
177.16423	13.7
177.28847	2.4
179.17961	2.5
184.72427	2.4
185.13239	2.8
187.14827	9.8
189.16408	10.6
191.17987	7.5
199.14821	3.5
201.16414	5.7
203.17990	14.9
205.12296	5.5
205.19502	4.4
207.17610	3.0
215.17953	9.3
217.19473	6.5
229.19518	5.3
231.21260	4.3
233.19041	3.3
251.19978	3.9
257.22470	2.8
285.25772	4.4
289.25259	3.5
339.30432	3.7
407.36819	5.6
425.37863	25.1
443.18668	9.6
443.33438	10.0
443.38837	28.1
444.19238	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3887
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
52.08125	0.6
53.03936	0.7
55.05517	4.0
57.07084	4.3
59.05003	1.3
59.56199	0.7
61.08799	0.6
67.05513	7.9
69.03236	0.6
69.07075	9.7
70.73504	1.6
71.05027	0.6
71.08627	1.6
75.59231	0.6
78.15958	0.6
78.81496	0.6
79.05499	4.6
81.07063	24.7
83.04989	0.8
83.07848	0.5
83.08628	4.5
84.88901	0.6
85.06535	0.9
87.56062	0.6
91.05489	3.3
93.07048	12.1
95.04959	0.6
95.08614	31.0
97.06541	0.9
97.10151	2.6
99.08096	4.0
105.07035	11.0
107.08605	22.2
109.06544	4.0
109.10171	20.7
109.10932	1.1
111.08083	2.1
111.11725	1.4
117.07072	1.2
117.64780	0.5
119.08594	21.3
121.10148	14.0
123.08089	2.2
123.11715	11.2
127.11214	0.6
131.08583	2.9
133.09120	0.9
133.10139	18.6
135.11708	21.4
137.09659	1.3
137.13229	2.6
139.11131	0.6
143.08653	0.6
145.10141	5.8
147.11691	12.9
149.13266	6.9
151.11206	1.3
151.14796	0.8
159.11699	5.3
161.13272	10.2
163.14824	7.2
164.10329	0.6
165.12790	0.6
169.42307	0.6
171.11763	0.7
173.13322	2.7
175.14819	5.4
177.16417	2.7
179.14331	0.8
179.18027	1.4
184.12234	0.6
185.13344	0.7
187.14781	2.9
189.16402	17.7
191.17958	6.2
193.19620	1.5
199.14810	1.0
201.16382	2.0
202.10536	0.6
203.17979	14.3
205.19493	3.3
207.17459	20.0
213.16391	1.0
215.17926	3.9
217.19531	7.3
219.21069	1.4
221.19012	12.2
229.19554	1.7
231.19086	0.7
231.20935	3.5
243.21092	0.8
245.22662	3.6
247.24335	0.8
255.21068	0.7
257.22699	1.0
259.24350	0.6
261.33316	0.6
271.24268	4.8
285.25726	2.3
295.24365	0.7
331.26184	1.0
351.30307	0.8
382.34222	0.7
407.36768	9.4
414.42410	0.7
425.37820	18.6
443.38895	100.0
444.39349	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3886
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
53.03943	0.6
55.05509	4.6
57.03431	0.7
57.07077	3.9
59.04990	1.1
60.46903	0.4
64.05845	0.4
65.26595	0.5
67.05509	8.5
69.07070	11.4
70.73649	0.8
70.73991	0.8
71.08616	1.6
75.09293	0.5
79.05501	4.2
81.07060	26.2
83.08612	4.7
85.06565	0.8
85.08439	0.4
87.04436	0.4
91.05479	4.3
93.07045	13.0
95.04997	0.6
95.08611	31.7
96.08961	0.4
97.06524	1.3
97.10180	3.0
99.08088	5.0
105.07037	12.0
105.07713	0.4
107.08599	24.5
109.06530	5.9
109.10163	20.1
109.10918	0.8
111.08099	1.9
111.11704	1.8
113.09683	0.6
117.07007	1.5
119.08585	21.3
121.10147	14.0
123.08079	3.2
123.11707	10.3
131.08592	3.3
133.10136	18.7
135.11699	20.1
137.09608	2.0
137.13242	3.1
139.11177	0.7
143.08530	0.9
145.10144	6.1
146.10880	0.6
147.11690	15.0
148.43826	0.4
149.13260	7.0
151.11185	1.5
151.14841	0.6
153.12791	0.9
157.10112	1.5
159.11720	5.7
161.13254	8.5
163.14839	7.4
165.12737	0.7
165.16382	0.6
171.11682	1.1
172.12254	0.4
173.13275	4.2
175.14845	5.0
177.16478	2.5
177.17776	0.5
179.14339	1.3
179.18036	1.2
185.13248	0.9
187.14799	2.3
189.16386	22.2
191.17920	4.6
193.19516	1.1
201.16451	1.5
203.17967	12.2
205.19600	3.0
207.17455	22.9
209.42145	0.5
213.16414	0.8
215.17969	3.3
217.19507	8.5
219.21138	1.4
221.19017	13.9
229.19543	2.0
231.21080	3.6
233.19019	0.9
234.66458	0.5
235.20549	1.1
241.19531	0.6
243.21147	1.4
245.22635	4.1
247.20535	1.0
257.22681	1.1
259.24451	0.6
271.24316	5.1
273.25858	0.6
283.24255	0.8
285.25839	1.7
297.25729	0.5
316.73257	0.5
331.26343	1.8
345.57358	0.5
407.36734	9.1
425.37839	19.8
443.38873	100.0
444.39142	2.4
462.60825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3519
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
51.01772	3.0
55.05503	15.5
57.07078	20.6
65.03940	2.9
67.05508	32.2
69.03403	3.7
69.07063	8.5
71.04989	4.0
71.08624	4.5
71.56160	3.7
79.05478	12.1
81.07048	42.7
83.04978	3.8
83.08612	15.5
85.10182	4.1
91.05470	12.5
93.07040	18.2
94.32726	2.9
95.04967	20.4
95.08604	34.3
97.06520	4.5
97.10139	13.5
101.18842	2.7
105.07028	32.9
107.08591	20.3
108.97695	2.7
109.06503	11.6
109.10154	46.0
117.07013	6.3
119.08583	25.3
121.10104	13.9
123.08054	10.7
123.11637	3.6
127.11174	8.6
129.06976	11.4
131.08571	31.5
133.10132	28.1
135.11679	10.7
137.13220	20.0
138.37555	2.9
141.06943	4.3
142.07767	7.0
143.08548	27.0
145.10118	35.5
147.11678	19.7
149.13300	4.7
155.08603	6.6
156.09314	2.9
157.10132	68.7
159.11687	16.8
161.13263	8.3
163.11136	5.6
167.08545	3.5
169.10144	10.9
171.11696	40.2
173.09615	12.6
173.13205	3.7
175.11200	6.5
175.14845	8.2
179.14319	9.1
181.10139	6.7
182.10913	3.5
183.11696	9.7
185.13246	15.4
193.15956	4.8
195.11714	12.4
196.12535	3.8
197.13185	4.4
197.15395	3.7
199.14832	3.2
209.13304	10.5
211.14824	10.8
213.16382	81.6
213.18365	6.4
221.13210	3.8
223.14789	8.5
225.16431	5.8
227.17917	3.5
229.15900	8.9
229.19476	4.9
231.17426	23.8
237.16191	4.1
241.19582	3.7
251.17963	36.5
255.17526	3.0
258.74805	3.4
269.19000	91.0
271.20480	7.3
281.22675	7.5
287.20038	68.4
341.24680	5.9
341.83340	3.3
407.33121	24.4
425.34253	39.8
443.29501	5.2
443.35150	100.0
443.79401	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	443.298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24920	0.3
55.05498	0.5
57.03441	0.5
57.05817	0.4
60.04522	0.4
60.05653	5.9
62.06113	0.6
67.05501	0.8
69.03437	1.3
69.07073	8.0
70.06598	20.4
70.07342	0.9
71.04987	0.8
72.04488	0.3
72.08154	2.0
79.05495	0.8
81.03423	0.8
81.07059	1.0
81.35455	0.3
83.05016	0.3
84.04491	0.3
85.02911	2.6
85.06561	0.6
86.09712	95.9
87.10057	0.3
91.05489	0.7
93.07060	0.6
95.04983	0.8
95.08631	0.6
95.38634	0.3
97.02911	1.5
97.07607	0.5
105.07053	1.2
107.08602	0.8
109.02887	0.5
109.10139	0.5
111.04536	0.3
112.08727	3.8
113.07104	0.7
114.10319	0.8
114.59087	0.3
115.08694	3.4
116.07096	7.2
119.08620	0.4
120.08072	0.5
121.06517	0.4
121.10155	0.6
127.03897	0.8
128.10732	17.8
128.11790	0.9
130.09772	2.4
131.08542	0.4
133.06470	0.4
133.10023	1.0
135.11736	0.4
137.05981	0.5
137.09627	1.0
144.06584	0.6
145.05034	0.6
145.10184	0.3
147.08057	0.4
147.11703	0.4
156.10191	1.3
156.11336	9.6
157.10950	0.6
158.09259	6.5
159.08064	0.4
159.11754	0.3
161.05998	0.6
175.11919	18.0
177.09195	0.4
193.08595	0.7
195.05997	0.7
195.10248	0.4
199.18097	0.4
205.12209	0.5
222.24368	0.3
226.15530	0.6
229.15523	0.4
251.07187	0.5
251.17642	0.3
253.16721	0.5
263.16376	2.6
269.18604	0.9
271.17679	7.6
275.23886	0.5
281.17517	1.3
288.20374	0.9
357.11948	0.3
388.01813	0.3
400.70874	0.3
443.15564	2.2
443.29803	100.0
444.30200	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.5
55.01860	3.3
55.05511	14.5
57.03425	4.0
57.07061	7.4
59.28453	1.9
61.02920	3.8
64.52280	1.6
67.05499	15.3
68.99784	3.1
69.03082	2.3
69.03432	39.6
69.07074	21.7
70.06583	2.8
70.67949	2.4
70.68285	2.6
71.01340	6.1
71.04993	11.4
71.08635	1.7
72.08137	2.0
73.02882	1.7
76.97497	1.6
79.05493	18.9
81.03423	48.2
81.04492	1.5
81.06652	2.4
81.07064	33.3
83.01334	1.9
83.04974	4.4
83.08623	9.9
84.08134	1.9
84.99672	1.5
85.02426	3.0
85.02910	45.4
85.06548	9.7
85.06944	1.5
85.91647	1.5
86.09708	2.6
87.00833	15.2
88.74671	1.7
91.05497	12.6
93.07047	44.9
95.04955	4.5
95.08607	54.7
97.02912	11.5
97.06546	5.2
97.10165	6.6
99.04468	17.7
99.08073	6.7
105.01868	5.9
105.07033	15.4
107.04942	3.7
107.08597	53.6
109.02879	40.6
109.06519	4.3
109.10157	21.0
110.60000	1.5
111.04430	3.6
111.08070	5.3
111.11710	2.4
117.07069	2.4
119.08566	16.7
121.06509	3.7
121.10149	53.3
121.11037	2.6
123.08042	4.5
123.11687	7.8
125.09630	2.5
127.03919	100.0
131.08563	4.6
133.10115	16.7
135.08078	2.7
135.11705	20.9
137.09639	3.3
137.13249	3.3
139.07552	2.1
139.11179	3.8
143.08569	2.3
145.04941	6.1
145.06361	2.3
145.10117	7.4
147.08109	2.2
147.11650	5.1
149.09628	3.9
149.13228	8.6
151.07585	2.0
151.14815	2.3
153.01939	1.4
157.10129	3.8
159.11659	3.4
161.09612	3.1
161.13239	2.6
163.14867	2.5
167.06953	1.8
171.11687	2.6
173.13258	3.2
175.14850	14.8
177.12770	2.3
177.16386	62.3
183.11761	2.2
187.05945	3.0
187.11174	1.6
187.14842	4.0
189.16290	3.0
193.15903	6.4
195.06458	1.8
195.13792	2.0
195.17485	19.6
197.13138	2.9
199.14874	2.4
203.14302	2.3
205.12297	2.6
205.15881	3.4
213.04013	11.0
213.16527	2.0
213.18452	3.6
215.05508	3.4
217.15837	2.4
231.05031	22.5
263.16498	1.8
285.18448	2.4
303.19516	3.9
333.13263	2.0
357.11597	3.7
389.19635	9.8
407.20715	7.7
425.21786	12.6
443.13635	2.8
443.22534	7.2
443.28207	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.0
55.01863	6.5
55.05512	38.5
57.03444	11.6
57.03667	2.4
57.07037	3.1
59.04992	7.0
61.02909	10.1
67.05502	5.7
67.49683	2.1
69.03430	33.1
69.07068	5.3
69.55748	16.2
70.06602	20.4
71.04975	4.2
72.08164	12.7
73.02919	4.3
79.05483	8.6
81.03411	18.9
81.07038	10.1
82.06548	3.2
83.04983	51.6
83.08569	3.4
84.04497	3.4
84.08150	3.0
85.02906	93.3
85.06521	7.7
86.09703	6.4
87.04462	6.1
91.03947	3.8
91.05467	18.6
93.07042	14.6
95.04973	21.3
95.08595	7.6
97.02894	24.4
97.06546	4.1
98.21514	3.3
98.97559	2.9
99.04446	8.4
100.07605	6.9
101.06011	26.8
103.03930	3.1
105.07019	20.5
107.04939	3.8
107.08607	17.3
108.10278	2.2
109.02894	16.2
109.06520	13.8
109.10120	9.6
109.76657	2.7
111.04390	3.1
112.04679	2.2
117.06947	5.4
119.04920	2.8
119.07343	12.9
119.08585	27.9
120.07679	3.7
121.06512	8.8
121.10143	20.0
123.04426	4.9
123.08032	6.5
125.05987	6.8
127.03924	27.3
128.06201	4.1
129.06987	3.4
130.07750	3.0
131.08577	6.8
133.10115	15.7
134.06020	4.4
135.08060	12.4
135.11690	4.3
136.07556	12.2
137.05966	5.9
137.09587	8.8
143.08530	10.9
145.04950	13.8
145.06497	7.1
145.10126	18.5
145.11105	3.3
147.08049	28.7
147.09111	4.7
149.09630	9.6
151.07559	3.1
157.10118	5.7
159.08067	11.2
159.11720	7.0
161.09645	17.7
161.13200	3.4
163.11189	77.0
164.07062	4.4
165.12677	2.8
169.13385	3.3
172.41888	2.3
175.11215	3.2
177.03824	2.7
177.09087	32.5
179.10681	7.9
181.12227	38.5
185.13240	7.0
187.11203	4.1
189.09164	6.3
195.10167	3.5
203.14345	6.9
205.12305	5.6
207.10170	26.6
209.02640	6.4
215.14195	4.7
227.14206	4.3
233.15308	7.1
235.14256	5.2
245.15361	21.6
255.12061	3.5
263.14090	4.0
263.16418	100.0
269.12546	3.4
269.15100	3.0
270.13412	5.6
281.14835	5.1
281.17529	38.7
315.13364	6.6
316.13824	16.0
415.20581	5.8
425.14499	3.7
425.21127	2.9
443.23505	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	443.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42002	0.4
54.03477	3.5
55.01860	0.4
55.04251	2.9
56.96561	1.0
57.03436	1.1
61.02920	0.9
69.03446	2.5
70.06604	2.1
71.54195	0.5
72.08179	0.7
73.02922	1.0
78.29674	0.4
80.05023	0.7
80.15220	0.4
80.38745	0.4
81.03465	0.9
81.04547	20.8
82.05332	8.6
84.04481	0.5
84.08140	0.7
85.02898	4.9
87.04465	0.9
97.02888	2.5
98.97601	1.7
99.04486	0.9
105.07005	0.4
108.05601	0.6
109.02905	1.1
110.07166	0.8
110.97601	0.7
114.03757	0.6
116.07093	1.0
116.98649	0.7
122.07161	100.0
123.07943	89.2
127.03883	1.1
136.06187	0.6
136.07558	0.8
137.05965	1.1
142.03241	0.6
143.00114	0.5
144.04793	0.8
145.04965	0.8
147.04428	1.0
160.04340	1.7
163.04041	0.9
164.08171	0.5
165.07784	3.8
172.04285	1.4
177.05547	0.6
181.04979	0.5
209.94156	0.5
252.86742	0.5
253.88440	0.5
263.09665	0.7
281.10690	59.0
283.46756	0.6
323.11603	0.9
443.15967	96.8
444.16238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.05515	3.5
56.84480	1.2
69.03431	4.1
70.33580	4.3
71.04993	2.3
73.02942	1.4
81.03419	7.8
81.71318	1.2
85.02909	17.9
97.02913	8.0
99.04434	8.0
103.03948	5.8
109.02888	30.2
113.06010	26.6
117.05501	60.2
127.03932	21.0
141.05473	100.0
145.04970	7.2
148.84277	1.6
149.09718	1.2
159.06535	42.0
163.06017	3.6
176.03452	3.1
177.07608	27.4
187.05980	2.4
199.27864	1.2
202.01440	1.3
237.33958	1.2
271.08078	1.5
273.09860	1.4
285.09760	2.7
303.10699	3.9
321.11914	7.1
416.02448	1.4
424.94431	1.7
442.16272	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0949
Annotation	Biisofraxidin
Peak:m/z	Relative Intensity
51.82002	3.1
56.96576	3.2
57.03425	6.2
61.02906	7.3
63.51341	3.2
69.03420	15.2
69.32848	18.4
69.33275	11.1
73.02918	8.3
79.19350	3.5
85.02912	35.7
91.25851	3.4
97.02887	19.2
98.20916	11.8
98.97588	26.2
110.97546	5.6
116.98628	7.3
119.01878	6.8
122.07148	4.3
127.03869	7.5
143.00139	4.2
143.01915	6.4
145.04999	7.7
146.08093	4.2
155.01839	3.6
158.99654	14.6
161.02924	4.2
170.99733	4.6
173.02911	4.7
177.00690	7.0
181.04765	5.1
182.03374	4.4
189.00758	6.2
190.55080	3.7
191.03836	8.1
200.04445	3.7
201.00693	6.2
219.01805	6.5
229.04655	4.6
237.02736	10.4
245.05243	3.8
261.02740	7.8
263.06116	10.4
271.07593	7.0
271.57742	10.4
272.06451	28.2
274.57092	3.4
279.03693	6.3
281.07059	5.0
281.14948	5.2
352.60126	5.7
362.09534	4.9
443.09497	100.0
443.15253	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	441.3731
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
53.03087	1.0
53.03927	1.1
55.05525	5.8
56.65300	1.0
57.07063	7.0
67.05177	1.6
67.05509	24.5
67.71979	1.0
69.07075	6.6
70.67802	2.6
71.04965	1.5
71.08619	1.1
73.90254	1.0
79.05501	5.4
81.07063	15.5
82.07418	1.4
83.08621	3.2
91.05477	4.5
93.07061	8.1
95.08610	16.8
97.06516	1.2
97.10165	1.4
105.07041	9.0
107.08595	14.1
109.10159	100.0
117.07056	1.5
119.08591	10.9
121.06519	1.3
121.10149	14.8
123.08058	1.8
123.11726	7.5
127.11134	1.4
131.08592	5.3
133.10121	9.8
135.11700	8.8
137.13249	2.2
143.08592	2.1
145.10143	6.8
147.11693	4.7
149.13251	3.7
157.10110	2.2
159.11674	6.6
161.09694	1.2
161.13237	4.6
163.14828	2.2
165.09128	1.6
169.80444	1.1
171.11716	3.9
173.13268	4.2
175.14853	2.5
177.16344	2.0
182.22920	1.2
185.13229	3.6
187.14848	3.7
189.16380	3.2
199.14824	3.0
201.16425	2.2
207.17451	1.3
213.16435	2.8
215.17978	3.2
227.17975	1.6
229.19510	3.7
241.19460	8.3
243.21164	1.4
259.20547	5.8
279.23117	2.3
297.25644	2.8
315.26828	2.9
405.35294	2.4
423.36288	8.7
441.37927	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	441.3728
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05520	17.3
57.07078	4.6
65.03935	2.5
67.05171	3.8
67.05507	46.2
68.09765	2.2
69.07076	35.9
71.04967	4.5
71.55116	2.7
75.25607	2.1
79.05508	20.7
81.07063	53.7
83.04949	3.0
83.08603	10.0
91.05486	24.6
91.10638	2.1
93.07050	46.3
95.04985	4.4
95.08614	64.2
95.10321	2.2
97.10192	6.4
99.08060	3.2
105.07034	45.2
107.08594	61.6
109.06501	2.9
109.10162	100.0
111.08077	3.0
111.11684	2.8
117.07015	9.0
119.07706	2.8
119.08577	52.8
121.10149	52.6
123.11702	21.1
125.09665	2.7
127.11160	7.2
129.07008	3.5
131.08577	24.6
133.10123	41.6
135.11696	38.9
137.13246	4.1
142.07805	3.6
143.08580	10.6
145.06328	2.5
145.10135	31.5
147.08023	3.4
147.11703	45.3
149.13272	16.6
155.08525	3.3
157.10115	11.4
159.11710	37.1
161.13255	29.7
163.14827	11.4
165.12735	5.7
166.51624	2.8
169.10085	4.1
171.11649	12.3
173.13286	23.4
175.14850	20.5
177.12764	4.4
177.16354	5.8
179.14236	5.3
183.11707	3.5
185.13243	8.9
187.14851	23.4
189.16391	20.2
191.17946	10.5
197.13312	3.8
199.14818	11.1
201.16425	25.4
203.17972	4.7
205.15904	5.0
207.17401	15.8
213.16374	13.4
215.17979	30.1
217.19417	3.0
219.17439	3.3
225.16600	4.0
227.17912	9.3
229.19475	7.0
241.19398	5.4
242.55298	2.4
243.21149	7.0
255.21150	6.0
257.22748	5.3
261.22180	7.4
267.21066	2.9
269.22614	12.2
281.22552	2.7
283.24280	13.3
297.25500	4.5
301.25247	5.7
315.26883	2.6
349.28769	3.8
364.72070	2.6
367.29977	3.9
405.35168	19.7
423.30954	5.0
423.36304	70.9
441.37579	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	441.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29148	0.4
55.05513	2.3
55.52366	0.5
64.08520	0.4
65.03931	0.6
67.05508	21.6
67.21595	0.4
69.07075	3.1
69.28134	4.6
79.05499	2.6
81.07059	9.8
83.08648	0.9
85.06525	0.6
91.05467	1.3
92.69350	0.5
93.07047	3.1
95.08044	0.8
95.08614	7.5
97.06541	0.6
97.10192	0.6
105.06427	0.6
105.07018	3.5
107.08604	7.2
109.10162	100.0
110.10506	0.7
117.07020	0.9
119.08589	5.9
121.10147	5.3
121.10944	0.6
123.11724	2.0
127.11205	0.5
131.08578	2.9
133.10124	3.9
135.11693	3.8
143.08594	1.2
143.48793	0.4
145.10121	3.4
147.11679	2.4
148.44179	0.5
149.13306	1.4
153.12715	0.6
154.68121	0.5
155.08539	0.5
157.10155	1.1
159.11703	3.2
161.13281	3.0
163.14828	1.3
171.11707	2.1
173.13329	2.7
175.14850	1.7
177.16386	0.5
183.11684	0.6
185.13295	1.8
187.14874	2.2
189.16449	1.2
197.81065	0.5
199.14864	1.7
201.16455	0.8
211.14880	1.1
213.16518	1.1
215.18011	1.7
226.17273	0.7
227.18036	1.1
229.19540	1.9
233.18961	0.6
241.19537	6.7
243.21162	1.1
257.22723	0.6
259.20578	6.1
269.22656	0.7
297.25754	1.9
301.25076	0.5
309.13565	0.5
315.26767	2.3
340.26962	0.5
405.35297	1.7
423.36209	3.9
441.37494	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	441.373
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
52.00583	0.9
53.03944	1.5
53.25242	1.1
54.13007	1.0
55.05517	5.2
57.07076	5.0
67.05518	7.9
69.07069	11.6
69.19156	2.9
69.19578	7.1
71.08612	2.4
73.02891	1.2
75.35131	1.0
79.05496	5.9
81.07063	25.1
83.04958	1.3
83.08616	4.7
91.05475	5.4
93.07045	11.3
94.13783	1.0
95.08615	30.3
97.06539	1.6
97.10158	2.9
99.08112	6.7
105.07033	12.0
107.08598	22.2
109.06535	3.5
109.09452	2.0
109.10158	23.4
111.08082	1.9
111.11770	1.8
117.06996	1.3
119.08587	14.9
121.10145	17.2
123.08076	4.2
123.11713	10.1
125.09663	1.6
127.11165	1.8
131.08571	4.4
133.10150	13.4
135.11702	8.9
137.09602	3.1
137.13271	3.7
139.11201	2.8
145.10143	7.2
147.11676	11.4
149.09665	1.4
149.13303	6.5
151.11156	2.6
151.14818	1.4
153.86623	1.0
157.10147	1.6
158.43037	1.0
159.11688	6.5
161.13280	9.8
163.11220	12.6
163.14870	5.5
165.12810	1.6
169.40042	0.9
171.11732	1.6
173.13269	3.9
175.14874	6.1
177.12875	1.5
177.16415	3.1
185.13194	1.8
186.45107	1.0
187.14859	3.7
189.16408	3.2
191.17986	2.1
193.19507	1.2
196.73672	1.0
201.16432	2.5
203.17987	13.5
205.15877	9.4
205.19528	1.2
213.16380	1.3
217.19547	6.9
219.17487	3.8
221.19006	11.4
227.17838	1.3
229.19533	1.6
231.21114	2.3
235.84563	1.0
243.21196	1.3
245.22610	1.4
259.16766	1.0
259.20670	1.2
271.24265	2.5
285.25928	1.7
303.97324	1.1
313.25403	1.7
327.26971	1.2
329.24835	2.4
405.35233	3.5
423.36221	28.3
441.37308	100.0
442.37457	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	441.3725
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
55.05507	6.0
57.07068	4.3
59.04987	1.9
67.05505	8.7
69.07071	13.8
71.08601	1.3
71.42854	0.7
79.05497	7.1
81.06579	1.8
81.07056	31.2
81.34251	0.7
83.04970	0.9
83.08614	5.4
85.06527	1.0
91.05457	4.0
93.07043	13.6
95.04945	1.6
95.08607	41.2
97.06519	1.8
97.10174	2.8
99.08090	7.5
105.07029	12.1
107.08595	24.3
109.06509	7.9
109.10155	28.9
111.08085	2.1
111.11703	2.2
117.06966	1.9
119.08581	22.1
121.06530	1.0
121.10143	19.9
123.08081	4.4
123.11710	12.0
125.09626	1.4
127.11196	1.0
131.08549	3.4
133.10120	19.8
133.11079	1.1
135.08063	1.2
135.11696	11.0
137.09631	2.4
137.13275	3.8
139.11157	1.6
143.08615	1.0
145.10130	7.2
147.11685	15.4
149.09605	2.3
149.13254	8.1
151.11183	2.2
151.14847	1.1
157.10135	1.3
159.11702	7.4
161.13251	10.5
163.11201	11.9
163.14835	6.8
165.12881	1.2
171.11662	1.4
173.13217	4.7
175.14827	6.0
177.12747	2.7
177.16380	2.3
179.18013	1.4
185.13274	1.2
187.14842	7.2
189.16328	4.4
191.14372	1.3
191.17967	2.4
193.19490	1.3
199.14799	1.8
201.16399	3.3
203.14369	0.8
203.17938	17.8
204.71867	0.9
205.15898	14.0
205.19473	2.5
213.16409	1.3
215.17911	1.7
217.19511	9.1
219.17360	4.1
221.18988	13.6
221.34158	0.9
227.17827	1.3
229.19539	1.5
231.17487	1.0
231.21112	2.7
233.19205	0.9
241.19615	1.0
243.21109	1.6
245.18944	1.3
245.22737	1.7
257.18973	0.9
257.22687	1.5
259.20663	1.2
271.20880	1.0
271.24252	2.8
285.25821	2.7
287.23758	1.0
299.23999	1.0
311.23819	1.0
311.27341	1.6
313.25311	1.8
327.27032	1.1
329.24808	3.0
367.29968	2.0
405.35126	3.2
423.36206	29.5
423.41962	1.4
441.37268	100.0
442.37671	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3732
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03940	2.6
55.05518	16.8
57.03424	2.9
57.07068	7.2
58.39115	2.1
59.04984	2.2
67.05517	31.7
69.03445	2.8
69.06775	2.5
69.07079	28.9
69.23882	2.0
69.50261	16.0
71.05003	2.9
71.08639	3.2
71.93547	2.0
77.52062	2.2
79.05495	23.3
80.78537	2.2
81.07066	57.3
82.32173	2.0
83.05047	2.5
83.08640	14.6
85.06529	3.0
87.04470	2.6
91.05493	25.4
93.07058	47.6
95.04975	2.8
95.08617	87.6
97.06525	4.9
97.10165	8.9
105.06394	4.1
105.07045	49.6
107.08604	75.7
109.06458	3.7
109.10167	56.9
111.08073	5.0
117.07030	6.4
119.08597	73.2
120.05722	2.2
121.10158	100.0
123.08114	4.2
123.11726	37.6
125.09629	4.1
127.11188	3.4
129.07001	2.8
131.08597	16.9
133.10149	51.0
135.11705	48.2
137.09628	4.4
137.13292	16.2
143.08630	8.4
144.09367	3.1
145.10146	31.0
147.11696	45.1
149.09589	3.1
149.13289	34.0
151.14854	3.0
153.12714	2.8
157.10156	11.2
159.11722	28.0
161.09639	5.1
161.13283	35.7
163.11208	4.8
163.14850	18.2
165.12750	7.9
171.11740	10.8
171.71214	2.7
173.13284	25.8
175.14828	27.6
177.12750	2.7
177.16373	13.1
179.14375	14.8
183.11711	4.3
185.13293	7.8
187.14807	19.9
189.16400	19.2
191.14377	7.6
191.17975	19.2
193.15921	10.5
197.13374	3.5
199.14819	8.2
201.16461	11.7
203.17990	10.2
207.17418	2.6
213.16434	11.1
214.17245	4.2
215.18077	12.1
217.19516	9.5
225.16409	3.5
227.18011	10.8
229.19531	27.2
231.17395	3.0
231.21043	15.9
232.27931	2.5
233.18999	4.5
243.21088	3.9
245.19241	3.8
247.20602	7.3
255.21060	3.6
257.22705	6.4
259.24255	3.5
267.21152	4.8
269.22672	3.1
275.23886	3.8
281.22809	5.0
283.24188	6.4
285.25751	3.7
314.62222	2.4
405.35184	18.9
423.30801	5.1
423.36258	75.7
441.37354	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.6
54.41027	1.7
55.01871	6.9
55.05515	20.5
57.03439	25.9
65.03941	4.5
67.05511	85.0
69.03426	5.0
69.07076	24.6
71.04975	6.3
71.98695	2.0
74.63409	2.4
75.04479	7.6
75.66127	2.1
76.33524	2.2
79.05498	74.9
81.03413	6.3
81.07064	100.0
83.04984	8.5
83.08627	13.7
85.06552	8.7
90.56142	1.7
91.05484	99.6
93.07049	80.9
95.05003	13.0
95.08059	4.2
95.08617	55.3
97.02911	2.5
97.06536	12.5
97.10181	3.7
99.08155	3.4
101.06019	2.0
103.05500	2.5
105.07047	49.1
107.04941	8.1
107.08608	38.6
109.06509	8.6
109.10144	14.9
111.08076	13.4
113.05988	3.0
115.05453	3.9
117.07030	26.3
119.08587	43.0
121.06503	6.0
121.10143	31.6
123.08078	7.6
123.11755	3.7
125.09627	3.8
128.06190	2.0
129.07021	11.0
130.07765	2.9
131.07085	3.0
131.08574	42.3
133.10146	41.9
135.08061	25.9
135.11725	23.6
137.09610	9.5
139.07558	2.6
141.07027	3.6
142.07806	3.1
143.08598	11.6
144.28650	2.2
145.06483	3.8
145.10138	34.8
147.08057	9.1
147.11693	26.2
149.09634	23.6
149.13287	13.8
151.11150	2.1
155.08566	6.4
157.10167	17.5
159.08023	7.0
159.11717	40.5
161.09644	7.6
161.13268	9.3
163.07530	8.7
163.11224	10.4
165.09132	2.2
165.12733	6.4
169.10178	4.0
171.11732	20.4
173.09685	3.9
173.13275	20.1
175.11177	7.8
177.12755	31.0
179.10817	3.5
183.11699	11.7
185.09576	4.3
185.13310	10.5
187.14838	3.2
195.11734	2.5
195.13831	2.7
197.09662	2.7
197.13281	4.1
199.11131	2.8
209.13298	2.6
222.53958	2.1
225.12772	3.4
229.16016	2.3
229.19527	7.2
239.18010	17.0
257.19016	21.7
275.20099	92.9
293.21249	3.1
345.18387	2.6
349.23761	31.8
367.24771	24.2
405.20724	5.1
423.21506	8.8
423.27493	8.2
441.22617	30.6
441.28403	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2638
Annotation	Scopadulin
Peak:m/z	Relative Intensity
51.02391	1.1
53.03948	1.7
55.01875	1.8
55.05519	7.0
57.03456	1.0
57.07092	1.1
63.18634	1.0
67.05511	9.7
69.03448	6.1
69.07086	8.6
69.79332	5.5
71.04997	2.8
73.02937	1.2
73.48148	0.9
79.05505	11.3
81.03426	2.0
81.07066	14.9
83.04991	2.0
83.08640	4.6
85.02921	1.6
85.06563	3.5
87.04472	5.3
91.05487	15.3
93.07055	15.4
95.04985	4.0
95.08615	15.3
97.02941	1.1
97.06538	8.9
97.10130	1.0
98.21472	2.1
99.04481	1.9
99.08111	0.9
102.36395	0.9
103.05529	1.8
105.07034	23.4
107.04967	1.9
107.08606	19.1
109.06545	4.0
109.10161	7.9
111.04443	1.0
111.08089	1.7
115.03963	2.9
115.05512	1.8
117.06994	6.2
119.08592	26.9
121.06506	5.2
121.10149	18.0
123.08121	4.1
123.11755	4.1
125.06078	0.9
125.09714	1.3
127.07599	1.4
128.06221	4.8
129.07016	7.2
130.07858	1.2
131.04950	2.0
131.08569	21.0
133.06534	3.5
133.10133	22.3
135.08098	3.7
135.11676	7.8
137.06000	2.3
137.09662	2.9
139.07527	5.2
141.07050	3.5
142.07822	4.1
143.08574	15.2
144.09415	2.0
145.06519	10.5
145.10130	21.8
147.08069	5.0
147.11700	9.3
149.09648	4.8
149.13275	1.8
151.07581	2.2
153.07077	2.3
153.09177	1.2
155.07327	1.5
155.08543	7.5
156.09348	5.1
157.10149	23.3
157.33087	1.1
158.10895	1.2
159.08066	6.0
159.11697	16.7
161.06056	2.6
161.09633	6.7
161.13275	5.2
163.07597	2.3
163.11247	1.6
165.07024	1.6
165.09125	5.9
166.07790	1.0
167.08621	2.6
167.10648	1.5
168.09372	2.6
169.10147	11.6
170.10931	3.2
171.08147	4.0
171.11691	20.2
173.09628	5.1
173.13268	13.3
173.14441	1.0
175.07532	1.5
175.11288	3.8
175.14900	3.2
177.09206	3.4
177.12769	1.9
179.08583	3.6
179.10681	2.3
180.09355	1.6
181.10139	7.8
181.11537	1.1
182.10927	2.3
183.06619	1.5
183.08141	2.9
183.10204	1.4
183.11699	14.2
184.12373	1.2
185.08122	2.5
185.09709	5.5
185.13258	13.3
187.11249	4.8
187.14838	5.8
189.09155	2.9
189.12817	1.9
191.10733	5.2
193.10263	3.7
193.12337	3.0
194.11028	2.0
195.08197	1.3
195.10168	1.5
195.11801	12.0
197.09726	3.4
197.13293	14.2
199.11241	4.9
199.14816	6.2
201.09174	1.3
201.12849	2.7
201.16403	2.4
203.10754	3.4
203.14386	2.4
205.12245	2.0
206.10971	1.4
207.08473	1.1
207.10130	2.1
207.11865	4.6
207.13528	1.0
208.12527	2.3
209.09958	1.6
209.13297	12.8
210.14093	2.4
211.11290	3.6
211.14861	8.0
213.12842	4.2
213.16510	2.5
215.10698	1.3
215.14529	2.2
217.12361	2.6
219.11826	2.4
219.13919	2.9
220.12590	1.3
221.09940	1.2
221.11569	2.0
221.13681	5.1
221.15327	1.4
222.10526	1.1
222.13939	2.1
223.11324	2.1
223.14865	7.1
224.15784	1.4
225.12848	3.0
225.16522	4.1
227.10864	1.5
227.14418	4.1
227.17934	1.5
229.12270	2.5
231.11794	1.3
231.13901	3.9
233.09750	1.3
233.11504	1.4
233.13474	2.3
233.15471	4.6
234.14195	1.4
235.11292	1.2
235.14905	4.6
237.12785	2.4
237.16385	6.2
238.17220	1.2
239.14284	2.5
239.18069	2.2
241.12326	1.5
241.16200	1.7
241.19606	1.2
243.13913	3.6
243.17673	1.0
245.11703	2.2
245.15529	2.4
247.14885	3.6
247.17117	1.8
249.16492	3.8
251.14307	1.4
251.17969	3.0
253.15939	1.5
255.13968	3.5
255.17432	1.9
257.15540	2.1
259.13165	1.1
263.14261	1.4
263.18002	1.3
265.15955	2.4
265.19559	2.7
269.15768	2.1
269.19098	3.1
273.15009	6.3
273.18661	1.5
279.20966	1.2
281.15604	1.6
283.17062	2.6
291.21155	1.5
293.15799	1.2
293.19022	1.9
295.16772	1.3
297.18500	1.5
299.16525	1.6
307.17062	2.3
307.20697	3.2
309.22223	1.7
311.16373	2.4
311.20026	1.1
313.18115	3.2
321.18735	1.5
324.20892	1.2
325.18033	2.8
325.21719	1.8
327.19684	2.8
327.23322	2.1
333.22275	2.2
335.20093	1.6
335.23831	1.3
339.19724	4.3
345.18222	1.2
349.21838	3.0
349.25745	1.3
351.23404	3.4
353.21225	2.3
355.22833	2.1
359.23798	2.6
367.22784	6.2
371.18512	1.2
377.24887	9.1
379.22687	2.4
381.19821	1.4
381.24277	14.5
385.20090	2.0
387.23523	3.0
395.25977	16.2
399.21530	2.3
405.20337	1.2
405.24609	7.9
409.38724	1.1
423.25500	32.7
441.26587	100.0
442.26486	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.01868	6.3
55.05516	10.9
57.07071	3.4
65.03931	2.5
67.05512	10.0
69.03426	5.1
69.07079	15.1
79.05494	18.4
79.94880	2.3
81.07063	23.8
83.04980	5.5
83.08620	7.7
85.06538	8.7
91.04959	2.9
91.05487	26.0
93.07053	24.8
95.04963	9.1
95.08604	20.7
97.02911	2.0
97.06552	6.7
98.21523	4.4
103.05453	2.6
105.07038	40.0
107.04990	3.2
107.08617	30.3
109.06534	10.4
109.10164	10.5
111.04450	8.9
111.08075	2.7
113.05969	2.5
115.05451	4.1
117.07027	14.7
119.04927	2.5
119.08590	40.6
121.06508	3.2
121.10174	17.0
123.04445	2.2
123.08125	10.5
123.11682	2.8
127.07558	2.2
128.06204	7.4
129.07001	12.8
130.07761	2.9
131.08580	26.0
133.06511	8.9
133.10144	31.0
135.08076	11.4
135.11725	10.5
137.05927	2.3
137.09654	3.0
141.06998	4.2
142.07790	8.5
143.08566	26.4
144.09315	2.6
145.06485	11.2
145.10132	28.2
147.08043	12.5
147.11699	7.9
149.07509	1.9
149.09663	7.1
151.07544	3.9
153.06999	2.9
153.12659	3.1
154.07741	3.4
155.08525	12.6
156.09369	9.5
157.10139	34.1
159.08078	17.0
159.11734	17.7
161.06009	4.0
161.09650	9.6
161.13271	3.4
163.07582	8.7
165.07005	5.1
165.09108	7.3
166.07690	2.6
167.08559	9.1
168.09454	4.9
169.06474	2.5
169.10141	23.9
170.10944	7.0
171.08087	6.1
171.11699	28.5
173.09555	9.8
173.13264	12.6
175.07576	4.0
175.11189	5.9
177.09140	8.7
179.08533	7.4
179.10719	5.4
180.09404	3.3
181.10106	13.7
182.10902	4.7
183.08080	3.0
183.11679	22.9
185.09683	9.8
185.13255	18.2
187.07599	5.2
187.11217	6.9
187.14754	5.0
189.09109	4.1
189.12767	4.0
191.10730	3.1
192.09398	4.2
193.10152	8.8
194.10934	4.9
195.08083	3.6
195.11705	25.2
196.12457	3.3
197.09605	8.0
197.13277	19.4
198.10388	3.8
199.11230	14.3
199.14871	11.0
200.11922	7.2
201.12813	6.4
203.10689	6.1
204.09448	3.4
205.08479	2.7
206.10851	5.2
207.11819	13.1
207.13441	2.7
208.12486	4.6
209.09592	4.8
209.13255	20.1
210.13855	2.5
211.11223	8.0
211.14822	13.0
213.09058	3.0
213.12744	17.7
213.16422	3.8
215.10648	3.9
215.14333	6.2
217.10274	4.2
217.12280	8.2
218.10970	4.9
219.11646	6.1
219.13649	3.9
220.12415	4.3
221.09808	3.3
221.13231	10.6
222.10260	2.4
222.14088	4.1
223.11189	3.1
223.14842	12.3
224.15494	2.8
225.12820	6.4
225.16425	5.8
227.10683	7.0
229.12196	4.7
231.11778	5.0
231.13847	11.8
232.12466	2.9
233.09622	4.8
233.13217	6.8
233.15327	2.9
235.11107	4.3
235.14801	10.1
237.12762	6.8
237.16437	7.4
239.10760	3.6
239.14243	2.8
239.17920	2.9
241.12126	3.5
241.16052	2.7
243.11633	3.7
243.13895	6.4
244.12392	3.0
245.13266	4.9
245.15419	3.7
246.13907	3.9
247.14856	9.3
248.15565	7.0
249.12653	3.1
249.16515	5.6
251.14343	5.3
251.18001	3.9
253.12169	2.6
255.13820	3.8
255.17390	3.1
256.12433	3.2
257.15448	2.7
259.14746	3.8
259.17151	4.6
261.16406	2.7
262.13385	2.6
263.14294	4.9
263.17938	4.1
265.16083	4.2
265.19186	3.1
266.20499	2.4
267.13858	3.7
267.17368	3.8
269.15491	3.3
271.14761	5.2
275.17755	3.9
279.13818	3.6
279.20947	2.9
283.17212	3.2
289.15701	2.8
291.17477	5.2
293.18982	3.8
303.17365	3.8
305.15283	2.5
307.16864	4.4
309.18539	4.2
321.18497	5.7
323.20047	3.2
325.18048	5.1
327.19522	3.0
329.15512	2.7
331.16818	6.6
333.14847	5.6
333.18481	4.5
339.19580	10.1
343.17072	3.0
347.16492	3.6
349.18060	3.2
353.21252	3.5
355.22845	5.8
357.20712	2.9
359.19855	5.6
361.17902	3.3
373.20129	3.7
375.19492	4.3
377.20999	7.2
377.25153	3.5
379.18942	3.2
381.20502	2.6
381.24408	21.0
385.20010	6.1
387.19611	11.5
393.20554	5.8
395.26184	12.9
405.20526	23.6
405.31317	4.5
423.21097	33.8
423.25632	8.1
423.32791	3.9
441.21735	100.0
441.27069	34.5
442.22504	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2634
Annotation	Scopadulin
Peak:m/z	Relative Intensity
51.41278	1.5
55.01856	2.6
55.05508	6.8
65.52245	1.6
67.05503	8.5
69.03433	4.4
69.07070	7.0
69.36477	3.2
69.36876	12.5
71.04997	1.9
79.05497	11.9
81.07059	15.3
83.04977	3.5
83.08615	4.0
85.06538	2.9
87.04465	5.0
91.05492	13.3
93.07041	17.9
95.04962	3.6
95.08609	13.0
97.02876	1.9
97.06533	7.8
103.05504	2.0
105.07036	23.7
107.04891	2.0
107.08591	19.5
109.06514	4.7
109.10159	10.5
115.03933	2.9
115.05410	2.2
116.80772	1.6
117.07036	7.7
119.08589	34.6
120.08963	1.6
121.06525	5.8
121.10152	16.5
123.08099	4.8
123.11736	4.3
128.06235	2.1
129.07030	9.1
131.04951	3.4
131.08566	22.0
133.06526	3.9
133.10139	22.4
135.08087	5.0
135.11697	5.4
137.06004	1.7
137.09650	3.0
139.07576	6.0
141.07010	5.1
142.07819	6.6
143.08575	18.6
145.06474	11.9
145.10120	22.6
147.08057	6.0
147.11697	7.9
147.90504	1.7
149.09634	2.6
151.07596	2.7
151.11287	1.8
153.07103	2.2
155.08539	9.8
156.09387	5.8
157.06465	1.8
157.10121	21.5
159.08081	6.6
159.11694	19.5
161.06024	2.3
161.09673	5.2
161.13307	6.4
163.07590	3.3
165.07008	2.4
165.09198	3.8
167.08621	5.9
168.09399	3.9
169.06488	2.0
169.10110	12.5
170.10843	2.5
171.08115	4.4
171.11703	21.3
173.09634	8.0
173.13269	13.2
175.07567	2.0
175.11159	3.4
175.14935	2.5
177.09138	5.1
179.08640	4.4
181.10112	7.6
182.10950	3.4
183.10210	2.4
183.11700	13.9
184.02446	1.7
184.12517	2.4
185.09700	5.7
185.13219	15.8
187.11343	2.7
187.14879	5.0
189.09117	2.5
189.12772	1.9
191.10704	2.4
193.10265	3.2
194.10901	2.3
195.11707	12.8
197.09631	3.8
197.13281	12.6
199.11266	4.1
199.14880	4.7
201.09160	1.9
201.12781	2.8
203.10773	4.0
203.14371	1.8
205.10216	2.5
206.11055	1.8
207.10083	3.0
207.11806	6.1
207.13620	1.8
208.12421	2.1
209.09662	3.4
209.13281	10.1
211.11322	3.2
211.14851	8.9
213.12871	6.6
213.16438	2.6
215.10730	1.6
215.14323	3.0
217.12225	2.5
219.11787	3.4
219.13823	4.0
221.13327	5.1
222.13889	2.4
223.11342	2.3
223.14890	10.9
225.12823	2.0
225.16487	2.6
227.10747	1.9
227.14268	3.8
229.12375	1.9
231.13954	2.7
233.11559	2.6
233.13457	3.0
233.15509	6.2
235.14897	4.5
237.12807	4.0
237.16472	4.5
239.14352	4.2
243.11526	2.0
243.13777	1.9
249.16415	5.3
251.18045	3.7
255.13989	2.4
263.18207	2.7
265.15955	2.5
269.15482	4.4
269.18924	2.2
273.15012	5.3
279.17566	2.5
283.17050	2.1
291.17685	2.5
293.18878	3.0
295.16837	2.6
307.20700	5.0
309.22153	2.7
311.16553	3.8
325.18033	2.4
325.21552	3.3
327.19757	2.1
327.23502	2.1
333.22107	2.8
339.19662	3.6
342.33740	1.7
348.05942	1.7
349.21680	3.6
351.23148	3.4
353.21024	1.9
359.23569	3.3
367.22845	5.2
371.18484	2.1
377.24762	10.4
381.20337	2.1
381.24503	14.0
395.25949	15.3
399.21603	2.8
405.24338	8.0
423.25433	28.4
441.26532	100.0
442.26999	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.5
55.01885	17.5
55.05513	10.4
65.03928	4.6
67.05514	19.5
69.03445	16.9
69.07082	6.6
71.05001	4.1
78.15392	3.3
79.05503	40.5
81.03438	37.0
81.07064	28.7
83.04992	7.1
85.02924	3.1
85.46675	2.9
91.05489	64.7
93.07062	31.1
95.04985	42.1
95.08636	21.1
97.02905	3.8
97.06535	10.7
103.05441	6.1
105.07050	53.7
107.04969	29.6
107.08607	34.9
109.06536	18.7
109.10152	10.0
111.04478	5.2
111.08009	3.1
115.05465	14.2
116.06262	8.1
117.07047	26.1
119.04944	9.1
119.08599	73.9
121.06509	16.7
121.10164	19.6
123.08097	5.8
128.06244	11.7
129.07016	39.7
130.07838	4.4
131.04939	9.0
131.08588	50.2
132.05783	5.4
133.06520	13.6
133.10141	42.3
135.08072	15.3
135.11696	8.0
137.09637	5.0
141.06995	18.6
142.07787	18.8
143.08601	40.8
144.05756	6.2
144.09335	7.9
145.06541	23.8
145.10146	54.4
147.08073	95.0
147.11719	10.5
149.05963	3.5
149.09647	11.9
151.07596	5.7
153.07048	5.1
154.07788	4.6
155.08578	13.1
156.09364	16.0
157.06482	5.5
157.10146	58.3
158.07292	5.0
158.10878	5.6
159.08076	100.0
159.11711	63.3
161.06000	4.6
161.09656	47.9
161.13274	7.9
163.07591	8.6
163.11169	4.7
165.07021	12.1
166.07785	4.6
167.08574	8.9
168.09311	5.8
169.10123	24.7
170.10918	8.0
171.08058	11.4
171.11708	45.1
172.08893	3.9
173.09674	28.7
173.13284	23.9
175.07587	23.0
175.11162	16.2
175.14879	5.0
177.09093	6.8
179.08627	10.5
180.09322	7.3
181.10136	14.7
182.10939	5.9
183.08011	5.0
183.11742	31.0
185.09679	15.0
185.13257	21.5
187.07584	4.3
187.11182	21.4
189.09152	10.2
189.12801	6.2
193.10185	14.2
194.10971	7.1
195.08165	5.6
195.11736	31.0
196.12425	4.0
197.09697	16.3
197.13277	16.0
199.11197	20.3
199.14731	4.3
201.09152	5.0
201.12772	19.5
203.10640	5.1
203.14345	14.1
206.10936	8.1
207.11809	16.3
208.12497	10.1
209.09587	7.4
209.13318	14.5
210.10367	5.0
211.11211	18.0
211.14946	5.4
213.09096	4.9
213.12758	16.1
215.10716	16.8
215.14297	6.9
217.10272	8.2
217.12300	9.2
218.10979	5.2
219.11865	7.7
219.13773	7.2
219.84462	3.6
220.12498	4.1
221.13268	12.3
223.11243	12.7
223.14844	10.7
225.12772	15.2
227.14433	8.6
229.12213	5.3
230.10936	4.0
231.11745	6.6
231.13853	11.6
232.12447	6.0
233.09503	5.6
233.13338	7.8
234.10283	4.0
234.14073	4.2
235.11131	6.5
235.14879	12.8
236.11792	5.5
237.12784	12.0
237.16418	13.0
239.14291	9.9
243.11684	5.0
245.13441	7.8
246.14081	5.5
247.14815	12.0
249.12723	6.8
249.16498	5.2
251.14375	8.8
253.12437	4.3
255.13879	8.5
258.14047	6.7
261.12723	11.1
263.14465	7.1
265.12247	5.2
265.15967	9.1
267.17508	5.3
272.15768	4.1
273.12726	6.1
275.14273	8.9
277.15982	8.0
283.17010	5.3
285.12662	5.2
287.14264	6.2
289.15955	8.2
291.17465	5.7
295.17081	5.2
301.16040	4.8
303.13858	5.2
305.18973	7.0
309.18384	7.3
315.17761	8.1
317.19107	6.1
319.16913	4.9
331.16943	5.3
331.20596	11.2
333.18655	20.5
335.19955	7.9
337.18054	6.0
341.19180	4.7
345.18549	4.7
347.16418	3.9
347.20151	6.4
349.21649	10.3
351.19687	8.0
359.20096	41.9
361.18008	6.8
361.21954	5.4
363.19592	6.4
365.21161	5.8
367.22879	6.8
375.19537	5.2
377.21127	59.4
379.18915	9.4
387.19754	22.5
395.22266	23.3
405.20688	47.6
423.21658	80.9
441.22357	76.6
441.28232	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	441.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75520	1.3
53.03933	2.4
55.01870	4.7
55.05513	7.3
57.03435	2.2
57.07065	2.2
59.04992	1.4
65.03938	2.4
65.74040	1.1
67.05506	12.6
69.03422	4.9
69.07072	19.5
71.05006	2.7
71.97175	1.3
79.05502	15.0
81.03413	3.0
81.07060	28.3
83.04987	4.9
83.08625	5.9
85.06548	7.7
87.04462	2.1
90.99351	1.3
91.05482	23.5
93.07047	19.9
95.04980	8.5
95.08614	21.8
97.02925	1.6
97.06525	4.5
97.10174	1.5
103.05489	2.7
105.07037	31.5
107.04971	3.2
107.08604	21.3
109.06512	8.6
109.10158	8.2
111.04472	9.0
111.08109	2.9
115.05468	4.2
116.06274	2.0
117.07036	15.4
119.08587	34.3
121.06517	6.1
121.10140	15.6
123.04431	1.6
123.08060	7.0
123.11710	4.0
127.07593	1.7
128.06204	6.2
129.07004	9.2
130.07784	3.2
131.08578	22.2
133.06570	6.3
133.10126	25.1
135.08046	8.4
135.11720	8.6
137.06006	2.3
137.09581	4.0
137.13347	1.7
141.07019	6.0
141.09163	2.1
142.07800	9.0
143.08580	17.0
144.09361	2.7
145.06506	12.3
145.10143	29.2
147.08044	7.9
147.11720	9.7
149.09633	7.6
151.07582	5.7
151.11176	1.3
153.07010	4.2
153.09091	2.0
153.12779	3.6
154.07797	1.6
155.08524	12.9
156.09370	10.6
157.06548	1.7
157.10136	31.7
158.07361	2.5
158.11020	1.7
159.08076	10.5
159.11711	19.0
161.05959	3.6
161.09619	9.2
161.13257	3.7
163.07547	9.3
163.11159	3.6
165.06996	6.2
165.09138	5.6
166.07854	1.9
167.08598	7.0
168.09351	3.6
169.10123	21.9
170.10883	6.8
171.08109	5.2
171.11708	33.2
172.08777	2.1
173.05882	1.5
173.09627	10.9
173.13234	10.9
175.07503	3.3
175.11221	4.3
177.09062	6.5
179.07143	1.5
179.08606	5.0
179.10677	4.0
180.09375	4.9
181.10124	14.3
182.10915	5.9
183.08113	5.1
183.10210	2.7
183.11705	24.9
184.12372	2.6
185.09647	10.7
185.13264	18.2
186.10425	2.1
187.07584	3.7
187.11205	7.5
187.14864	4.9
189.09129	8.0
189.12839	2.4
191.08708	2.1
191.10698	3.8
192.09312	2.3
193.10211	7.5
193.11859	1.4
194.10954	3.8
195.08109	2.0
195.11719	22.6
196.08871	1.7
196.12451	4.5
197.09602	6.5
197.13251	17.1
198.14096	1.4
199.11194	14.3
199.14784	8.0
200.11992	5.2
201.09116	3.9
201.12743	3.7
203.08727	2.6
203.10693	5.2
204.09323	1.5
205.08519	3.6
205.10220	4.3
206.10925	4.2
207.11745	11.3
208.12486	3.7
209.09627	3.9
209.13248	15.1
210.10413	1.5
210.14142	3.2
211.11240	7.3
211.14850	11.4
212.11865	1.9
213.12758	18.0
213.16348	1.9
215.10805	2.3
215.14345	4.5
217.10199	2.9
217.12314	8.1
218.10892	3.6
219.11742	7.3
219.13712	3.4
220.12442	3.5
221.09763	2.2
221.13354	11.3
222.10367	2.1
222.13905	2.8
223.11224	5.5
223.14807	13.8
224.15617	2.5
225.09125	2.8
225.12770	6.5
225.16415	6.1
227.10724	3.7
227.14301	2.3
227.17914	1.7
229.10231	2.1
229.12263	3.8
231.11592	3.9
231.13855	11.7
232.12474	3.8
233.13263	9.0
233.15314	2.2
234.10420	2.9
234.14005	2.3
235.11182	3.6
235.14882	7.1
236.15468	2.0
237.12735	5.8
237.16327	9.9
239.10626	1.9
239.14325	4.7
239.17873	3.2
241.12247	4.2
241.15927	2.2
243.11708	3.5
243.13840	6.2
244.12544	2.2
245.13242	5.3
245.15439	1.9
246.14018	2.4
247.11180	2.2
247.14983	8.7
248.11932	1.5
248.15639	4.0
249.09073	1.6
249.12750	3.5
249.16377	4.6
250.13353	2.2
251.14304	4.8
251.18013	5.0
253.12250	3.2
253.15961	1.8
255.11642	1.7
255.13982	3.1
255.17468	3.0
257.13263	3.2
259.14877	3.6
259.17056	3.5
260.15533	1.4
261.12711	2.8
261.16782	2.4
263.14288	4.4
263.18036	3.6
265.12387	2.2
265.15927	5.5
265.19653	2.4
267.13986	1.9
269.15543	2.1
271.17343	1.7
273.12689	2.7
273.16315	3.3
274.17267	2.1
275.18109	3.1
277.12454	1.9
277.15842	2.7
279.13791	3.5
279.17166	2.2
279.20908	2.4
281.18826	1.6
283.17035	2.8
285.16229	2.2
289.12405	2.0
289.15704	2.9
291.14206	1.7
291.17505	3.9
292.17957	1.5
293.15616	2.1
293.18988	2.7
295.16888	3.3
297.15710	1.7
301.18222	3.1
303.13809	1.8
303.17334	2.5
303.20819	1.6
305.15405	2.5
307.13403	1.7
307.16785	2.6
309.18484	3.7
309.22015	1.8
311.16797	2.5
313.18265	1.8
315.19778	2.8
317.15442	2.5
317.18817	2.0
317.22440	1.5
321.18481	4.4
322.19327	3.2
325.17853	4.2
325.21539	2.7
327.19565	4.4
331.16953	5.8
333.14795	6.0
333.18445	2.8
335.23688	1.7
339.19659	11.4
341.21414	2.1
343.17017	2.8
345.18564	2.0
347.16495	2.3
349.17911	3.3
349.21826	1.9
351.19385	2.0
353.21143	3.7
355.22610	7.4
357.18576	5.0
359.19965	7.8
359.23886	2.1
361.18069	2.5
363.19608	2.6
365.21445	1.6
369.18179	2.1
371.18655	1.6
373.20169	2.5
375.19556	6.4
377.21103	4.4
377.24854	3.6
379.18976	1.9
381.16711	2.1
381.24277	22.2
385.20047	4.1
387.19611	11.5
393.20636	3.5
395.21539	1.8
395.25955	11.9
399.22015	1.6
405.20447	21.4
405.31522	2.3
423.21021	30.7
423.31866	3.1
441.21753	100.0
441.27176	29.0
442.23056	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	441.1911
Annotation	Ugonin R
Peak:m/z	Relative Intensity
53.03922	1.7
55.01865	2.3
55.05499	2.3
57.03431	1.7
65.03931	1.5
67.05511	4.9
69.03403	4.3
69.07040	2.9
70.06597	2.2
71.04975	1.4
71.55359	1.5
72.20530	1.0
79.05491	7.1
81.03391	4.1
81.07061	6.6
83.04958	2.5
84.04476	1.1
84.08125	0.9
85.02879	3.2
85.06584	1.0
90.08674	0.9
91.05487	15.0
93.07064	7.8
95.04946	4.3
95.08612	5.9
97.02891	2.2
97.06516	3.1
99.04482	1.3
100.11272	1.6
100.45638	1.0
105.03377	2.2
105.07045	12.8
107.04933	2.8
107.08608	8.0
109.02834	3.6
109.06499	3.6
109.10114	3.5
111.04485	1.8
115.05417	3.7
116.06196	1.5
117.07018	10.3
119.04926	3.7
119.08574	14.9
120.55658	1.1
121.06480	4.3
121.10175	7.2
121.93122	0.9
123.04469	1.5
123.08037	2.8
123.11702	1.0
128.06184	4.5
129.06979	4.5
130.07747	2.2
130.08691	1.0
131.04951	1.7
131.08569	7.6
133.06442	4.2
133.10149	9.4
135.04379	1.8
135.08049	7.9
135.11644	2.1
137.02298	4.6
137.05841	1.4
137.09586	3.3
141.06972	2.7
142.07751	2.4
143.08571	6.7
145.02831	2.0
145.06499	7.0
145.10129	11.2
147.04376	2.9
147.07147	1.0
147.08063	9.9
147.11662	2.6
149.05997	1.4
149.09618	7.1
151.07516	1.8
152.07053	0.9
152.52509	1.0
153.06970	1.5
155.08519	3.4
156.09285	4.2
157.06451	2.5
157.10129	8.6
158.07260	1.4
159.08061	7.8
159.11641	3.2
161.05939	3.0
161.09647	8.0
163.03876	5.9
163.07573	7.6
163.11131	1.8
165.05473	2.9
165.06885	1.2
167.07045	2.2
167.08505	2.1
168.09326	1.4
169.06346	1.3
169.10095	4.4
170.10921	1.8
171.08076	5.2
171.11720	7.8
173.05951	1.7
173.09627	27.6
173.13203	1.7
174.10281	1.4
175.07489	4.2
175.11172	20.6
177.05403	1.9
177.09088	2.0
179.07069	1.8
179.08498	1.7
179.10683	6.5
180.09224	1.3
181.10063	4.0
183.08064	5.9
183.11670	7.1
184.08803	3.5
185.05965	1.6
185.09598	5.9
185.13188	2.2
187.07500	3.3
187.11140	2.9
189.05444	1.8
191.03386	2.6
191.06982	3.1
191.08698	1.6
191.10626	3.8
192.09291	1.5
193.10068	3.7
193.12100	2.7
194.10802	1.4
195.08003	1.6
195.11737	5.2
196.08841	1.2
197.09648	9.2
197.13252	9.9
198.08656	1.6
198.10408	24.3
199.11198	15.1
200.11874	6.3
201.09081	2.8
201.12721	1.3
203.06978	8.3
203.10516	1.2
205.08542	2.2
205.10211	1.8
206.10913	2.5
207.11661	5.5
208.12392	1.5
209.09537	2.7
209.13153	3.0
210.10370	2.1
211.09309	1.8
211.11200	33.8
211.14719	3.0
212.11827	1.2
213.05482	1.7
213.09225	1.4
213.12790	9.5
214.13560	1.2
215.08664	1.7
215.10689	1.7
216.09201	1.8
217.08517	4.2
217.10307	1.6
218.10800	1.9
219.08118	1.2
219.09901	1.4
219.11676	3.5
219.13620	1.4
220.12445	1.9
221.09529	1.5
221.13286	5.0
222.10399	1.8
223.11142	4.3
223.14769	4.0
224.11813	1.9
225.12694	3.5
225.16277	1.4
227.10619	1.4
229.10106	1.8
229.12271	1.3
230.10843	2.4
231.06572	11.0
231.11607	3.0
231.13716	2.2
232.08789	1.4
232.12416	2.4
233.07823	1.9
233.09828	1.7
233.13271	2.0
234.10353	1.6
235.07516	1.4
235.11136	2.8
235.14777	3.7
236.11859	3.6
237.12790	9.9
239.10614	2.0
239.14339	2.5
241.10085	1.6
241.12236	3.1
241.15685	1.2
243.11646	4.7
243.13855	2.1
244.12378	1.9
245.13190	3.0
246.10326	1.5
246.14032	2.0
247.11098	3.2
247.14781	2.1
248.11961	2.1
249.09059	1.4
249.12668	3.9
251.10561	1.7
251.14226	1.5
253.12256	1.4
253.15802	5.0
254.10732	1.5
255.11510	2.8
256.12329	4.7
257.11670	33.9
258.14001	2.5
259.11035	1.8
259.13379	3.8
260.11890	2.3
261.12579	3.1
263.14157	2.7
265.12076	1.5
267.13968	1.6
268.12466	1.1
269.09464	1.6
270.13898	1.9
271.11292	2.2
271.14682	4.9
272.11963	1.4
273.12680	3.1
273.16345	1.2
274.13455	3.1
275.10654	2.8
275.14194	3.2
277.14221	1.8
282.13849	1.5
283.11136	2.0
283.14752	1.2
284.11859	3.5
285.12521	1.9
285.16159	2.0
287.10654	1.6
287.14169	2.2
289.12256	2.0
289.15894	2.4
298.13208	2.4
299.14160	5.8
300.14804	1.4
301.12250	2.2
301.15720	3.0
302.12939	3.5
303.13644	2.6
305.11484	1.2
307.12964	1.6
313.12143	1.7
313.15668	4.0
315.13440	7.1
315.16965	2.1
316.11121	1.1
316.13834	11.9
317.11890	2.3
317.15231	11.6
319.13208	1.4
321.11172	2.4
321.14761	2.1
326.12717	2.1
327.13821	5.8
328.14392	1.6
330.12344	2.2
331.13208	2.4
331.16885	7.2
333.14789	2.8
335.12607	3.4
335.16309	5.0
341.15289	4.4
344.14056	2.3
345.10794	1.6
345.14847	27.8
346.15500	1.4
347.16650	1.5
349.18109	5.3
359.16464	17.6
363.11472	1.7
363.15887	27.2
369.14801	3.5
375.15775	2.2
377.13080	1.4
377.17505	27.9
387.15698	9.9
397.24023	2.4
405.16904	50.8
423.17990	100.0
424.18179	2.1
441.18835	62.7
441.24350	6.0
442.18671	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	17.9
59.89228	1.1
61.02911	2.8
69.03426	7.8
69.21413	1.1
71.04991	1.9
71.54478	1.9
71.95302	1.5
73.02900	2.7
81.03413	2.0
84.96035	7.7
85.02911	16.5
87.04471	1.9
91.05489	1.8
97.02906	8.5
98.06044	2.2
98.97585	100.0
99.04443	1.5
100.07608	1.6
101.00896	1.5
109.02896	1.6
110.97570	40.2
111.04423	1.3
112.99128	2.7
116.07077	2.5
116.98627	22.4
119.01902	2.2
119.04949	2.6
124.99104	4.4
127.03935	3.9
128.98602	18.7
131.00175	2.5
131.01866	1.9
134.99583	2.1
136.06226	2.3
136.07558	2.4
140.98575	9.9
143.00186	15.1
143.01866	2.0
144.06520	1.5
144.98055	2.6
145.01743	1.9
145.04968	4.5
146.99649	3.9
147.04440	2.7
152.98582	5.4
155.00148	2.3
155.01880	2.1
158.99657	39.3
161.01247	8.2
161.02879	2.2
169.03499	1.6
170.99658	29.3
173.01262	1.8
173.02924	2.2
177.00740	20.5
177.05533	2.4
182.99667	22.4
185.01225	2.3
187.02928	1.3
187.04492	2.1
189.00700	16.1
194.48683	1.3
194.99744	2.0
201.00714	46.4
203.02266	2.4
203.04027	2.1
207.01787	3.3
213.00760	4.8
219.01762	40.4
224.07121	2.6
229.05765	1.8
231.01741	4.1
237.00670	1.5
237.02859	19.6
237.05215	2.4
243.01746	20.6
243.03928	1.8
245.05240	1.8
249.02928	1.5
255.01712	2.3
261.02823	82.2
262.03210	1.3
273.02832	9.2
273.07983	1.3
279.00851	2.7
279.03860	39.3
279.13547	2.5
291.03876	15.7
297.05243	1.9
302.05661	1.5
305.05502	3.7
305.55875	2.1
321.04938	38.9
322.11057	3.1
333.04944	5.3
337.09799	1.4
351.06039	8.7
381.06833	6.2
399.07336	2.2
409.06186	2.1
441.09094	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.01868	4.2
55.04844	1.1
55.05269	2.1
55.05513	25.0
57.03435	1.2
57.42514	1.0
67.05496	4.0
69.03431	8.8
69.07073	22.1
69.78642	2.1
69.79056	5.3
70.06594	2.3
71.04995	1.7
72.08145	3.3
79.05491	3.1
81.03425	18.2
81.07035	3.7
83.04991	2.6
83.08627	81.5
84.08139	1.4
85.02922	9.4
86.09702	3.1
87.08077	1.8
90.53497	1.1
91.05464	3.3
93.07036	4.5
93.15385	1.1
95.08582	3.4
97.02898	21.2
97.06524	3.2
98.20665	1.3
99.04454	3.5
103.05479	1.1
105.01857	1.6
105.07059	1.3
107.08576	2.0
109.02879	26.6
109.06550	1.7
109.79459	1.1
111.04409	1.6
111.08086	34.3
111.11745	1.7
115.07574	1.5
119.08572	2.5
120.08047	1.4
121.06507	3.6
121.10159	2.2
127.03928	20.0
129.09123	8.4
131.08594	1.8
136.06192	9.4
139.07574	8.9
143.07010	3.5
145.04916	1.7
151.07434	1.2
157.08606	43.6
157.12242	4.6
167.07112	2.5
175.09671	100.0
186.71455	1.2
191.14316	2.2
192.14662	3.0
206.10710	1.4
211.13136	1.2
265.10651	11.6
278.14365	1.3
283.11780	57.5
301.12802	14.8
319.13791	3.6
330.19019	1.1
355.17343	1.2
422.24298	1.2
440.19681	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	440.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.5
55.05499	0.7
57.03446	1.1
57.07068	0.9
66.92575	0.5
67.05508	1.1
69.03439	1.4
69.07067	0.8
69.40508	3.7
70.06609	0.9
71.04993	2.3
79.05504	0.9
81.03433	1.0
81.07056	1.9
85.02911	4.2
85.06542	2.1
86.09725	0.7
93.07027	1.1
95.04958	0.9
95.08617	1.0
96.08101	0.6
97.02896	1.4
97.06567	1.1
99.04458	1.6
99.08092	1.1
101.02394	1.3
103.03950	2.6
107.04906	0.5
107.08580	0.6
109.02884	1.6
109.06508	0.8
109.10165	0.9
111.08085	1.0
113.06004	7.2
121.10146	0.6
122.03654	3.0
124.07594	6.9
125.06030	1.0
127.03931	4.6
131.07045	1.2
133.02859	1.1
136.06226	1.4
137.05983	100.0
139.07533	1.7
142.08644	10.6
145.04941	1.4
155.14383	0.6
156.14714	1.0
157.08611	1.9
157.12234	0.7
163.06052	1.7
191.16353	0.5
192.16814	0.5
193.04994	9.6
199.13322	1.6
240.77097	0.5
258.28378	0.5
260.12833	4.6
261.69394	0.5
278.13882	67.6
301.12796	0.7
319.13959	1.0
335.37650	0.6
337.77374	0.7
407.84869	0.6
440.17969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.5
55.01873	2.6
55.05507	1.3
57.02256	1.2
57.03422	3.4
59.05001	7.6
60.07029	1.1
60.22421	1.2
63.35738	1.2
69.03433	26.1
69.74474	5.4
69.74892	1.5
71.01380	1.4
71.04981	2.1
73.02908	7.5
74.23750	1.0
81.03430	13.3
83.04984	11.1
85.02909	50.8
87.04465	19.5
87.85002	1.1
88.50328	1.2
93.51156	1.1
95.05001	1.8
97.02889	22.1
99.04443	9.7
101.06004	3.3
103.97260	1.0
109.02889	38.2
111.04443	63.8
113.05993	3.0
115.03925	1.3
119.08589	1.8
127.03923	39.9
129.05479	35.1
139.03915	12.9
145.04965	17.6
157.04968	61.5
165.94948	1.1
175.06038	47.3
181.48242	1.1
197.11711	1.7
199.06003	1.4
213.07835	1.2
217.07056	1.1
229.07109	4.7
243.12259	1.5
247.08162	4.0
273.09775	1.2
278.15768	1.1
283.08145	14.3
292.75992	1.3
301.09177	100.0
302.09573	1.5
319.10248	29.1
422.13776	2.0
432.91711	1.5
452.44547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.149
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99582	3.8
61.45882	1.2
61.84051	0.9
65.03938	1.0
67.05520	1.6
69.03436	2.4
70.91878	2.4
70.92236	1.5
73.02904	1.0
76.02234	6.8
81.03428	1.2
82.67792	1.0
85.02918	15.9
86.99039	1.5
88.08007	0.8
91.05480	1.1
97.02883	2.2
99.04456	6.5
99.08089	2.1
100.02225	6.2
100.33865	0.9
103.03948	22.8
109.02893	2.9
120.04472	1.0
120.80657	0.9
122.06022	1.1
127.03934	16.0
136.07590	1.6
138.05507	1.0
139.07526	1.5
145.04974	12.1
146.02733	6.9
150.05469	1.4
163.06039	14.2
164.06929	1.2
172.07574	2.4
175.08701	3.5
186.09172	3.2
187.05974	1.7
188.03754	3.2
189.10216	1.8
196.04207	1.5
196.07553	2.6
198.09186	6.2
199.13312	2.8
208.71562	1.0
213.10272	8.6
214.08667	3.4
215.11835	4.4
217.09770	3.6
226.07083	1.8
227.11719	1.5
231.11195	2.2
235.10789	5.4
239.08231	1.3
240.08812	2.6
241.09740	28.1
242.04768	1.2
242.08257	4.0
243.11372	17.6
254.06319	1.5
254.10423	2.3
254.87326	1.0
255.11392	5.3
256.10104	1.0
257.12723	1.1
258.12399	9.2
259.10785	20.1
260.09097	1.6
271.08499	1.4
271.13239	1.4
273.06961	1.3
273.12390	1.2
277.11868	1.7
283.10834	6.4
284.09152	1.8
285.12341	10.6
286.09610	2.2
289.09158	1.3
299.08563	3.3
301.11859	24.6
302.10339	3.3
303.13324	4.0
307.10229	4.6
317.13718	19.4
318.12769	3.5
319.12854	4.4
333.08865	1.2
360.13770	1.7
362.11664	9.2
363.10004	3.2
404.12756	18.9
405.11151	5.6
422.13843	100.0
423.12167	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	440.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
55.05517	2.0
57.03419	1.8
58.99598	5.7
62.06136	1.1
67.05511	1.9
69.03427	3.1
69.07066	1.6
70.06586	2.4
71.04991	2.2
71.55518	2.3
72.08153	1.2
73.02924	1.4
74.06076	1.0
74.09723	1.3
76.02239	7.0
81.03415	3.7
81.07052	3.1
83.04980	3.0
84.04517	2.3
85.02905	19.6
86.99052	1.6
87.05569	1.6
87.63415	1.3
88.03982	1.3
91.05515	1.7
93.07068	1.9
95.08611	1.7
96.97114	1.1
97.02882	8.1
97.06558	3.1
99.04456	10.1
99.08091	5.8
100.02244	5.6
101.02409	1.7
103.03948	21.8
105.00105	2.3
107.08552	1.4
109.02882	4.4
109.10136	1.4
113.06004	3.3
115.07607	1.5
119.08596	2.6
121.10152	4.7
122.06048	1.9
125.06010	4.4
127.03925	25.0
129.05495	1.8
135.11758	1.3
136.07567	1.6
137.05994	4.1
138.05525	1.4
139.07596	2.3
139.11154	1.0
145.04961	15.6
146.02739	8.8
149.11815	1.1
152.01501	1.4
157.08652	2.5
163.06029	16.4
163.11243	2.1
164.07080	1.3
170.09647	2.2
172.07619	1.6
174.05539	3.1
175.08641	2.4
181.12202	2.6
182.08102	1.3
185.14946	1.1
186.09134	2.2
188.03746	2.2
189.10274	3.1
192.06520	1.3
193.05043	3.4
196.04321	1.2
196.07594	3.5
198.09198	6.3
199.08682	2.0
199.13327	14.5
200.07079	1.8
200.10783	1.2
211.08553	1.2
213.10236	8.2
214.08691	2.6
215.11838	2.3
217.09735	3.4
226.07288	1.2
227.11932	3.2
228.04897	1.5
235.10748	6.6
239.08170	2.4
240.09029	3.8
241.09746	28.2
242.08179	3.3
242.10414	1.5
243.11330	12.3
254.06369	2.0
255.11282	4.4
258.12421	9.0
259.10785	24.3
260.09134	2.9
271.08194	1.6
271.13028	1.7
278.13870	2.1
283.10657	7.5
285.12399	10.6
289.09311	1.6
299.08517	2.6
300.11270	1.7
301.08453	1.6
301.11841	25.1
302.10065	2.8
303.13406	4.6
307.10278	4.2
317.13693	23.4
318.12640	5.5
319.12860	5.5
360.13599	2.3
362.11655	8.9
363.10092	2.1
378.14914	1.3
404.12695	17.3
405.11328	6.9
422.13834	100.0
423.12335	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	439.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	3.6
55.05517	24.9
57.07075	21.4
59.67188	2.4
63.41476	2.5
63.60320	2.5
65.03949	2.5
67.05507	25.3
69.07073	35.0
69.27039	26.4
71.08627	4.7
79.05494	19.4
81.07063	69.0
83.04955	3.7
83.08626	20.5
89.06028	12.0
91.05471	15.0
93.07048	48.7
95.08611	100.0
97.06577	4.7
97.10157	9.8
98.20782	5.1
99.08077	3.5
105.07030	39.1
107.08596	67.7
109.06522	5.6
109.09461	5.3
109.10164	63.1
111.08086	3.2
111.11729	6.3
115.07491	2.6
119.08591	52.0
121.10150	49.3
123.08102	3.0
123.11716	53.3
125.09660	5.3
127.11206	2.8
129.07022	3.5
131.08577	11.2
133.08633	3.1
133.10126	38.9
135.11693	55.5
137.13263	67.3
143.08598	3.9
145.10123	25.0
147.11705	43.3
149.13272	21.7
151.14836	5.0
155.08430	2.8
157.10176	9.6
159.11694	22.1
161.13248	37.8
163.14799	14.2
171.11681	8.3
173.13277	18.4
175.14844	22.3
177.16373	7.6
179.14310	5.3
181.12186	5.0
185.13324	6.7
187.14809	16.7
189.16405	21.8
191.17947	10.9
193.15900	5.8
199.14867	7.4
201.16422	14.1
203.17993	9.2
205.19360	3.0
207.17453	11.0
209.13242	3.2
211.15012	3.3
213.16402	8.8
215.17973	11.3
217.19543	17.5
225.16339	4.2
227.17976	10.8
229.19547	6.9
231.21144	15.7
235.94505	2.6
239.15009	5.7
239.18053	2.8
240.15338	5.7
241.19576	7.3
243.21129	7.9
246.99409	2.9
255.21146	6.7
257.22662	3.7
261.22122	5.1
268.07605	2.7
269.22589	5.4
283.24161	3.2
285.25803	6.6
295.24152	4.6
297.25760	11.3
299.27469	7.6
313.28543	3.6
349.29205	5.7
355.26465	3.3
355.30264	3.0
365.27991	3.2
367.29926	8.3
369.31241	6.2
421.38947	23.4
439.34476	9.7
439.40109	94.1
456.71097	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.05509	23.0
57.07077	16.2
67.05505	23.4
69.07069	32.4
71.04974	2.8
71.08633	7.3
79.05510	14.8
79.85479	2.9
81.07063	60.0
83.08632	20.0
89.06037	8.6
91.05488	16.4
93.07053	38.2
95.04984	2.5
95.08609	100.0
96.82551	2.9
97.06520	4.6
97.10168	12.4
98.20726	5.9
103.05441	3.2
105.07024	38.4
107.08600	66.4
109.06495	4.3
109.09457	5.1
109.10159	65.9
111.08101	5.0
111.11732	4.3
117.07027	5.0
119.08588	53.1
121.10154	58.7
123.08079	2.7
123.11698	47.4
125.09650	2.9
127.11222	2.5
131.08548	11.2
133.08644	5.9
133.10138	42.2
135.11691	52.1
137.13263	58.1
143.08554	6.1
145.10112	24.5
147.11685	37.8
149.13297	17.2
151.11108	3.0
151.14809	3.5
157.10106	7.8
158.11024	2.8
159.11720	24.7
161.13246	32.1
163.14865	13.4
165.12827	3.2
171.11719	10.3
172.12498	2.8
173.13280	22.6
175.14847	18.5
177.16385	7.6
179.14378	4.0
181.12248	3.5
185.13239	7.4
187.14792	20.1
189.16408	17.7
191.17961	10.3
197.13217	3.1
199.14809	7.2
201.16432	15.4
203.17963	10.7
207.17407	8.0
211.14828	3.1
212.15553	3.2
213.16351	9.3
215.17958	10.9
217.07246	3.4
217.19435	14.7
225.16463	4.0
227.17995	7.0
229.19557	8.5
231.21066	11.1
239.14911	5.9
239.18019	4.1
240.15257	3.9
241.19609	6.1
243.21103	7.9
255.21095	9.3
257.22684	8.6
269.22787	2.7
283.24066	3.8
285.25671	7.0
287.27414	3.8
297.25809	6.3
299.27399	5.6
316.84625	2.9
324.86163	2.8
337.29013	6.0
367.29855	7.9
375.25937	2.6
421.33713	5.0
421.39105	14.2
439.34888	21.8
439.39310	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	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	17.9
57.07074	7.3
67.05512	15.8
69.07069	22.0
69.33615	15.9
79.05499	15.5
81.07064	44.8
83.04990	6.6
83.08626	12.8
85.06523	2.9
85.65672	2.6
87.22802	2.0
89.06012	3.3
91.05470	13.7
93.07052	42.2
95.05004	2.7
95.08614	68.3
97.06529	2.4
97.10171	6.8
105.07040	37.8
107.08605	61.4
109.10165	53.3
111.08115	2.2
119.08589	62.6
121.10145	49.7
123.11729	20.1
125.09650	3.1
131.08566	7.8
133.10136	52.1
135.11700	37.5
137.13231	6.5
143.08543	3.5
144.09282	3.4
145.10139	14.5
147.11699	43.6
149.13278	26.9
151.11220	2.7
153.09071	7.8
157.10097	3.7
159.11691	17.1
161.13269	27.5
163.14851	14.1
165.09204	2.4
165.12759	3.0
167.10687	4.4
171.11710	7.1
173.13260	9.3
175.14844	20.2
177.12764	4.6
177.16379	6.9
185.13332	3.0
187.14859	17.5
189.16386	57.9
191.17955	87.4
193.15895	3.3
199.14854	3.5
201.16354	16.7
203.17970	100.0
205.19537	21.9
211.36929	2.1
213.16411	6.5
215.17937	7.2
217.19595	14.5
221.18871	3.6
227.17917	6.5
229.19521	8.3
231.17427	6.3
231.21107	6.1
233.18895	2.3
233.45981	2.3
235.16939	9.8
241.19444	3.0
245.19037	7.5
247.17049	7.2
247.20694	2.5
249.18492	23.0
255.21025	3.6
256.17099	3.0
257.22760	2.6
295.24310	2.9
313.25644	2.1
393.34958	8.3
421.34561	13.5
439.35834	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3575
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03939	2.3
55.05502	8.3
57.07078	2.8
59.05014	2.3
67.05519	10.6
69.07069	12.3
71.04995	23.5
79.05496	6.4
81.07056	25.4
81.35650	1.7
83.04977	2.7
83.08612	8.0
85.06496	2.1
87.17033	1.9
91.05468	7.7
93.07043	19.3
95.04945	1.8
95.08611	30.9
97.06504	2.3
97.10150	2.5
99.08115	2.9
100.59074	1.8
105.07040	15.4
107.08604	26.3
109.10158	31.5
111.08097	2.2
111.11732	2.3
117.07003	2.9
119.08582	27.7
121.10146	28.5
123.08065	5.6
123.11693	16.4
125.09603	3.3
126.76649	1.8
127.11200	100.0
131.08582	7.2
133.10132	21.2
135.08102	2.3
135.11673	16.7
137.09674	2.2
137.13232	7.9
141.06999	1.8
141.12769	9.8
143.08562	6.5
144.09352	2.1
145.10138	16.7
147.11694	20.0
149.09634	2.9
149.13272	6.3
151.11217	2.8
151.14807	2.7
155.08514	3.7
155.14313	6.4
157.10115	10.9
159.11681	17.1
161.13263	12.6
163.14799	5.9
165.12804	3.6
165.16371	1.9
167.14380	2.6
169.10147	5.2
169.15907	2.4
171.11736	10.3
173.09720	2.0
173.13268	8.0
173.94688	1.8
175.11302	2.0
175.14871	6.0
177.12787	4.2
177.16394	5.0
182.62372	1.8
183.11705	6.0
185.13277	11.2
187.14835	9.1
189.12776	4.5
189.16414	6.7
191.17943	3.8
195.11771	2.5
195.17476	2.5
197.13245	6.0
199.14819	5.6
201.12694	3.6
201.16432	6.6
203.18027	3.4
205.15948	2.7
209.13153	2.7
211.14838	6.9
213.16365	6.1
215.17957	6.5
217.16202	1.8
217.19539	2.4
222.06279	1.8
225.16385	5.2
227.17888	8.8
229.15910	2.0
231.17490	3.4
233.19252	2.1
239.17937	4.1
241.19556	2.7
243.17509	4.2
245.19006	34.9
245.21318	3.0
251.17999	2.5
253.19518	3.3
255.21046	2.8
257.19031	22.3
267.21216	6.0
271.20560	11.2
279.20758	1.9
283.20679	2.4
285.22128	23.6
299.23737	3.4
301.25360	2.9
313.25201	3.7
351.26703	2.5
353.28391	5.3
360.39413	2.0
421.34604	32.5
439.35715	93.4
443.93375	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	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50126	0.7
55.05518	5.0
56.00394	0.8
57.07085	1.3
65.03930	0.9
67.05509	21.1
69.07066	6.3
70.80376	1.1
70.80696	1.0
79.05476	4.2
81.07066	15.8
82.46851	0.8
83.04997	0.8
83.08612	3.7
91.05491	4.2
93.07042	7.3
95.05000	1.0
95.08613	16.9
97.06499	1.1
97.10177	0.9
99.08112	1.3
105.07045	6.6
107.08610	10.1
109.10162	100.0
111.08060	0.9
113.09602	1.2
117.07022	1.5
119.08593	9.1
121.10161	9.2
123.08063	3.1
123.11703	5.0
125.09661	2.0
127.11185	0.8
129.07019	1.8
131.08575	3.6
133.10133	6.7
135.08095	0.9
135.11684	3.5
143.08551	2.8
145.10129	6.0
147.11674	7.5
147.59662	0.8
149.13272	3.2
151.11171	2.1
157.10098	3.5
158.10941	0.9
159.11728	7.2
161.13264	6.0
163.11156	1.1
163.14851	1.9
169.10132	1.8
171.11688	3.6
173.13295	6.5
175.11230	0.9
175.14844	3.9
177.12685	0.9
181.15874	1.0
183.11742	1.5
185.13269	4.1
187.14841	3.2
189.12805	2.1
189.16383	3.0
197.13255	1.9
199.14809	2.5
201.12665	1.9
201.16412	2.9
203.14394	1.1
203.17955	1.0
211.14931	1.6
213.16454	2.3
215.17891	2.1
223.14819	1.3
225.16309	2.0
227.17917	4.1
231.17456	2.9
239.17876	1.9
241.19460	1.6
243.17589	1.0
245.19019	2.9
253.19398	1.1
257.19009	9.8
259.20651	1.5
269.22592	0.9
282.65393	0.8
283.20447	1.7
285.22253	1.4
295.20840	1.3
295.24203	2.5
297.22137	13.9
309.74207	0.8
311.23724	2.3
313.25244	13.3
351.26547	0.8
421.34891	12.0
439.36169	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	439.3576
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05502	17.3
57.07084	8.1
66.13638	6.0
67.05505	27.4
69.07066	28.5
69.26968	6.8
70.07258	27.1
71.04967	7.7
79.05484	24.6
81.07056	54.6
83.04991	8.8
83.08603	18.7
89.06022	24.7
90.06358	7.8
91.05470	18.8
93.07056	37.4
95.08624	63.7
97.06560	7.0
97.10178	11.2
97.95743	6.4
98.21423	8.5
105.07028	34.4
105.52883	5.5
107.08601	75.9
109.10173	69.5
119.08592	43.2
121.10136	60.5
123.11706	27.8
125.09642	8.4
131.08586	8.4
133.08627	8.0
133.10126	31.4
135.11705	37.2
137.09525	7.0
137.13313	8.2
143.08582	8.4
145.10120	19.0
147.11699	20.8
149.13286	19.4
151.11182	18.2
157.10124	17.4
159.11685	27.1
161.13246	23.2
162.60959	6.3
163.11160	9.2
163.14847	12.0
171.11620	9.9
173.13263	19.6
174.97470	8.1
175.14845	17.2
185.13205	13.5
187.14774	23.6
189.16382	9.3
193.15837	35.1
199.14827	7.7
201.16505	8.5
205.15843	9.8
213.16356	7.9
215.17972	10.1
227.17981	15.3
229.19450	12.3
239.14870	14.9
239.17992	6.3
240.15137	9.9
241.19429	13.7
245.19078	11.8
295.24106	10.3
349.28207	7.2
351.55139	7.4
403.33441	13.7
421.34653	63.9
439.15704	7.3
439.35730	100.0
456.92294	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	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.01862	5.4
55.05507	13.0
57.07069	5.0
59.04995	5.9
63.14441	2.7
66.02547	3.0
67.05504	23.3
69.07067	23.6
77.65840	2.5
79.05484	20.8
81.07059	32.5
83.08604	6.9
87.31159	2.7
89.06046	4.5
89.15678	3.2
91.05482	21.0
93.07053	29.2
95.04996	3.5
95.08601	46.9
95.09174	4.0
97.10151	13.9
104.07578	2.7
105.07033	28.3
107.08601	100.0
109.06512	6.1
109.10162	73.1
111.08067	3.8
117.07012	3.6
119.08582	33.5
121.10149	22.4
123.11710	15.8
125.09640	18.5
129.06970	3.8
131.08575	17.6
133.10118	25.6
135.11699	21.4
143.08571	5.1
145.10124	24.2
146.42529	2.6
147.11664	18.1
149.13284	7.7
151.11150	10.4
152.95430	2.8
155.08450	3.3
157.10129	10.0
159.11697	28.6
161.13261	18.2
163.14772	6.3
169.10114	2.9
171.11659	13.0
173.13304	16.7
175.11314	2.8
175.14809	15.7
177.16388	3.4
179.14307	7.5
179.46895	2.7
183.11687	6.9
185.13239	10.2
186.14035	3.0
187.14801	16.5
189.16389	9.9
191.14369	2.5
197.13193	5.0
199.14824	11.6
201.16342	11.6
203.17601	2.8
205.15904	9.8
211.14886	4.1
213.16389	10.8
215.18001	13.5
223.14870	4.5
225.16364	5.6
227.18021	8.3
229.19542	9.5
239.17990	3.7
240.15329	3.9
241.19495	19.8
243.21127	8.0
255.20979	4.8
259.20630	13.7
265.19653	3.5
267.21152	4.7
269.22717	4.8
281.22543	2.7
285.22171	3.1
295.24207	15.9
297.22583	4.2
297.25778	18.6
299.23575	4.1
306.93927	2.8
313.25275	18.8
315.26797	10.8
331.26395	5.6
339.26779	3.2
351.26953	3.8
403.33490	13.2
421.34604	46.7
439.26526	6.1
439.35745	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.5
55.05505	4.1
67.05506	7.5
69.03425	4.2
69.07063	4.7
69.53351	6.8
71.04986	1.9
77.94753	0.8
79.05492	4.7
81.07060	8.0
83.04989	2.3
83.08620	2.0
85.06548	1.8
87.03970	1.1
87.04475	3.9
91.05480	7.4
93.07045	7.1
95.04970	1.1
95.08614	7.0
97.06525	1.7
99.04442	2.3
105.07036	8.9
107.08592	7.6
109.06502	1.5
109.10168	3.9
111.04441	0.9
111.08089	1.8
115.03952	2.4
115.05489	2.0
116.06183	0.9
117.07027	2.9
119.06058	0.8
119.08588	14.0
121.06515	1.3
121.10149	5.0
123.08085	1.7
123.11656	1.0
125.06014	1.2
128.06274	3.0
129.07040	4.1
131.08589	9.2
133.06551	2.7
133.10152	9.8
134.55325	1.0
135.08092	2.1
135.11732	3.0
137.09637	1.4
141.07025	2.5
142.07820	3.5
143.08557	10.2
144.09349	1.5
145.06450	1.5
145.10129	10.2
147.08116	2.0
147.11685	2.8
149.09663	2.1
151.07532	1.3
153.07072	1.6
154.07785	1.1
155.08583	6.1
156.09396	5.1
157.10132	15.5
158.10764	1.0
158.76158	1.0
159.08063	2.8
159.11684	5.4
161.09717	2.6
161.13242	2.6
163.07596	1.3
163.11162	1.2
165.07039	3.1
165.09177	2.2
166.07823	1.1
167.08611	3.9
168.09406	1.9
169.08745	1.7
169.10118	8.8
170.10951	2.1
171.11688	12.1
171.35271	0.9
173.09702	2.5
173.13335	2.9
175.11197	2.7
177.09116	2.3
179.08594	4.5
179.10640	1.2
180.09380	2.4
181.10115	7.8
182.10945	2.8
183.11678	11.2
184.12440	1.2
185.09691	2.3
185.13206	5.5
187.11232	1.4
187.14870	1.2
189.09171	2.2
191.08615	2.1
191.10710	1.6
192.09346	1.9
193.10147	9.4
194.10930	4.4
195.11716	11.7
196.12462	2.3
197.09760	1.3
197.13277	10.9
198.10504	1.1
199.11232	2.3
199.14816	1.5
201.09140	1.4
203.08740	1.0
203.10616	1.8
205.10170	2.5
206.11002	3.9
207.11708	13.0
208.12500	3.8
209.09628	2.7
209.11485	1.7
209.13264	11.1
210.14034	1.9
211.11279	2.8
211.14879	4.6
213.12732	4.2
215.10721	1.7
217.10223	2.4
217.12218	2.1
218.11026	2.6
219.11786	6.5
220.12573	4.4
221.09914	1.0
221.13280	14.8
222.14056	3.2
223.11331	2.1
223.14822	11.5
225.12859	2.0
225.16444	1.7
227.10710	1.5
227.14281	1.7
230.11075	1.5
231.11710	3.6
231.13919	6.4
232.12503	3.1
233.13278	7.5
234.14102	2.7
235.11185	2.3
235.14833	9.9
236.15617	2.5
237.12857	3.3
237.16403	5.1
239.10841	1.1
239.14178	1.4
241.12123	1.3
241.15739	0.9
243.13966	2.1
244.00520	0.9
244.12592	1.5
245.13312	4.6
246.13956	2.2
247.11188	1.4
247.14908	12.2
248.15675	3.9
249.12813	3.5
249.16389	7.6
251.10785	0.9
251.14310	1.7
251.17947	2.1
253.12328	1.9
255.13846	2.0
257.15460	1.3
258.14236	1.3
259.14902	2.8
260.15591	1.5
261.16489	5.9
262.17148	2.4
263.14426	4.5
263.18039	8.9
265.15955	5.1
265.19394	2.0
267.14008	1.9
269.15466	1.8
271.13190	1.4
273.16409	3.1
275.14468	2.0
275.18057	3.3
277.15958	3.2
277.19641	3.3
279.14041	1.1
279.17584	2.2
279.21231	1.4
281.15408	3.2
287.17960	2.8
288.14975	1.0
289.15942	2.8
289.19626	3.9
291.14297	1.3
291.17505	5.8
291.20639	1.0
293.15518	1.7
295.17050	1.3
301.15842	1.5
303.21039	2.1
305.15738	1.7
305.19034	14.2
305.22501	1.7
306.19638	1.3
307.16986	2.5
307.20673	10.1
309.15207	1.5
309.18484	1.9
311.16397	2.1
315.17661	2.2
315.21243	1.2
323.16550	2.5
323.20154	6.0
325.17947	3.5
325.21722	6.2
331.20538	4.2
333.18509	3.6
333.22339	2.4
337.18011	5.6
339.19620	1.3
347.23630	1.6
349.21823	2.9
351.19565	2.7
351.23279	1.5
357.22238	3.7
369.17020	2.0
375.23260	11.8
377.21011	1.1
379.18835	2.5
379.22809	13.8
383.18872	1.2
385.21854	1.2
393.24265	15.1
397.19836	4.3
403.22723	4.0
411.25452	3.0
421.18668	1.2
421.23871	26.9
439.24942	100.0
440.25287	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
55.05517	3.8
57.07075	1.3
59.11853	0.7
62.45555	0.7
67.05508	7.0
69.03433	6.2
69.07082	5.9
69.53611	5.2
71.05013	1.5
73.72340	0.7
79.05495	6.7
81.03403	1.1
81.07057	8.5
83.04984	1.7
83.08634	3.3
85.02911	1.2
85.06519	2.1
87.04465	4.6
91.05479	9.0
93.07053	7.4
95.04984	2.5
95.08594	6.5
97.06528	1.3
99.04478	2.1
101.05993	0.9
103.05451	0.9
105.07028	13.8
105.07685	1.3
107.04987	1.1
107.08589	8.2
109.06515	2.4
109.10135	4.9
111.08086	1.3
113.05997	1.1
114.04603	0.7
115.03956	2.0
115.05449	1.0
117.07040	3.9
119.07789	1.5
119.08588	15.7
121.06521	2.7
121.10136	7.4
121.10775	0.7
123.08070	2.5
123.11723	1.3
125.09592	0.9
127.07596	1.1
128.06201	1.9
129.06993	3.5
130.07768	1.7
131.08565	10.3
133.06494	2.5
133.10133	11.0
135.08083	2.5
135.11729	2.7
137.05988	1.3
137.09596	1.2
138.05826	0.9
141.07040	3.1
142.07768	4.0
143.08545	12.1
145.06479	1.2
145.10126	11.5
147.08066	2.3
147.11656	4.9
149.09641	2.2
151.07581	3.0
153.06985	1.3
155.08519	6.7
156.09358	5.9
157.10132	17.2
159.08107	2.4
159.11708	9.2
161.09657	2.8
161.13341	2.0
163.07567	2.3
163.11165	0.9
165.07008	2.2
165.09053	1.9
166.07811	1.3
167.08540	3.8
168.09348	1.5
169.08748	1.4
169.10138	9.8
170.10957	4.0
171.08133	1.5
171.11687	11.5
172.73956	0.8
173.09674	1.6
173.13271	3.5
175.11217	2.1
177.09132	2.1
178.07765	1.3
179.08614	4.5
179.10710	1.7
180.09401	2.1
181.10107	10.9
182.10950	3.2
183.08122	1.8
183.11725	12.4
184.12552	1.0
185.09691	2.1
185.13258	8.9
187.11198	1.8
187.14767	1.0
189.09189	1.2
189.12807	1.5
191.08786	1.5
191.10645	1.6
192.09399	3.1
193.10147	10.3
193.11949	1.4
194.10878	4.3
195.11708	13.4
196.12524	3.1
197.09593	1.4
197.13271	9.3
199.11163	3.9
199.14874	2.2
201.09059	1.2
201.12837	2.1
203.08672	1.4
203.10622	1.5
204.09366	0.9
205.10179	3.9
205.12094	1.5
206.10902	4.9
207.09908	1.7
207.11710	14.4
207.13417	0.5
208.12508	3.3
209.09683	2.5
209.13271	14.3
210.14101	2.3
211.11293	2.9
211.14789	5.7
213.09172	0.8
213.12744	5.3
215.10770	1.3
215.14409	1.4
217.10260	2.1
217.12245	1.7
218.10992	2.7
219.11800	7.8
219.13704	1.2
220.12494	4.9
221.09845	0.9
221.11267	0.9
221.13297	16.2
222.10458	1.3
222.14059	2.9
223.11250	2.1
223.14806	10.8
225.12776	2.7
225.16415	2.7
227.10732	1.5
227.14389	1.8
229.12248	1.9
230.10938	2.0
231.11714	3.7
231.13882	5.4
232.12410	4.1
233.09721	1.4
233.13307	10.8
234.13950	4.6
235.11212	2.7
235.14816	13.7
236.15521	1.5
237.12843	2.5
237.16350	5.1
238.17110	0.7
239.10838	1.2
239.14322	2.3
239.17941	0.9
241.12311	1.9
243.13962	2.1
244.12514	1.9
245.13354	4.1
245.15530	1.1
246.10382	0.8
246.14091	3.1
247.11179	1.6
247.14917	10.8
248.12062	1.5
248.15669	3.4
249.12854	3.5
249.16449	8.1
250.13504	1.1
250.17223	1.0
251.10715	0.7
251.14375	2.3
251.17963	1.2
253.12354	1.4
253.15967	1.8
255.13849	1.4
257.15527	1.4
258.14032	1.5
259.14899	3.4
260.15512	1.3
261.12952	1.7
261.16434	5.9
262.13693	0.8
262.17349	2.4
263.14435	4.5
263.18039	11.9
264.18716	1.7
265.12430	1.9
265.16058	3.7
265.19547	3.3
267.13913	1.9
267.17316	1.2
269.15439	1.3
271.13382	1.5
271.17227	1.2
273.12402	0.9
273.16437	2.5
274.17148	1.5
275.14474	1.2
275.17947	2.5
277.15991	2.6
277.19601	3.7
279.14136	1.4
279.17551	2.9
279.21085	1.5
281.15390	2.2
283.17001	2.4
286.17157	1.0
287.18057	1.3
289.15976	3.9
289.19641	3.6
291.14310	1.5
291.17474	4.9
291.20920	1.6
293.15491	2.1
293.18915	1.0
295.16937	1.8
301.15942	1.3
303.17535	1.1
303.21005	1.5
305.15378	2.3
305.18970	15.2
305.22571	1.2
307.16873	2.6
307.20636	10.6
309.15054	1.8
309.18625	1.6
309.22018	0.9
311.16400	2.3
315.17712	1.5
315.21271	2.1
317.18903	1.2
319.16931	2.7
319.20694	1.3
321.18625	1.4
322.19302	1.3
323.16464	3.4
323.20172	5.7
324.21210	0.8
325.18018	2.4
325.21735	5.6
331.16953	1.2
331.20447	5.3
333.18549	3.0
333.22266	3.3
335.20279	1.0
337.14252	1.4
337.17908	8.2
339.19781	0.9
347.23822	2.4
349.21814	3.0
351.16040	1.0
351.19620	4.5
351.23325	1.3
353.21161	1.4
357.18015	1.5
357.21976	4.8
361.17883	1.4
361.21848	0.9
363.19775	1.1
364.24109	1.3
365.17465	1.6
365.25079	1.2
375.23260	12.5
377.21240	1.8
379.18869	1.8
379.22791	16.9
383.18503	2.3
385.21664	1.3
393.24228	16.3
397.19907	4.3
403.22882	5.1
409.23621	1.5
411.25403	3.4
421.18579	1.1
421.23880	26.6
439.24945	100.0
440.25214	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.2
55.05512	11.2
55.05742	1.8
57.03439	4.0
57.07080	75.5
59.05007	3.1
61.04672	1.3
67.05505	5.2
69.03440	4.4
69.07071	12.1
70.98953	3.4
71.05000	3.3
73.06569	1.9
79.05511	3.0
81.03427	3.1
81.07066	45.6
83.08610	2.6
85.02924	10.0
85.06551	59.9
87.00819	3.3
95.08605	23.9
97.02877	3.0
97.10188	11.9
99.07484	2.9
99.08102	44.2
103.91516	1.6
105.01897	4.6
109.02881	3.6
109.10164	2.6
111.11717	4.9
122.08588	1.8
122.24866	1.4
127.03930	6.3
136.06216	1.5
137.13274	29.4
144.96388	1.4
153.12752	3.3
155.14320	100.0
173.15392	34.4
191.16440	76.8
214.87340	1.4
215.24500	1.5
241.18105	1.8
283.04153	1.4
322.23560	1.5
440.89838	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2306
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
55.05508	0.4
57.07077	0.6
61.77170	0.3
67.05497	0.7
69.03427	0.5
69.07054	0.5
70.41109	0.3
71.55573	0.4
72.59801	0.4
76.23930	0.3
79.05485	0.5
81.03423	0.5
81.07066	0.8
84.49123	0.3
85.02915	0.6
87.56438	0.3
91.05498	0.8
93.07050	1.1
95.01056	0.4
95.04942	0.3
95.08629	0.6
96.01861	0.5
97.02680	0.5
105.06993	0.7
107.08597	0.6
109.02922	0.4
113.02130	0.6
119.08584	0.5
121.10116	0.5
127.03841	0.5
131.08572	0.3
133.10133	0.6
135.11620	0.3
137.09607	0.4
143.08638	0.7
145.06424	0.3
145.10114	0.5
147.08136	0.4
149.09712	0.3
156.14635	0.4
157.04767	0.4
157.10184	0.6
159.08078	0.4
161.05989	0.4
161.09657	0.3
169.04683	0.8
171.07996	0.5
171.11710	0.4
173.09618	0.5
185.13289	0.4
185.48810	0.3
186.05019	1.0
187.07602	0.3
191.10666	0.4
195.11726	0.4
203.05272	3.8
209.45583	0.3
213.12778	1.0
231.10188	0.4
231.13763	0.5
259.16742	2.2
273.14862	0.7
277.17807	2.2
315.13422	0.4
369.18842	5.7
427.59323	0.3
439.23065	100.0
440.23297	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.05505	6.2
57.03431	3.1
57.06795	2.8
57.07079	50.2
59.05011	2.4
61.02944	2.3
62.10550	1.5
67.05508	11.1
69.03427	8.0
69.07075	10.8
71.05009	2.3
71.06180	1.9
71.06525	3.2
71.08633	2.5
73.06557	6.2
79.05482	2.3
81.03409	6.2
81.07063	44.0
85.02911	11.8
85.06552	99.4
87.00829	6.1
91.84800	1.8
91.87897	1.4
93.07032	2.1
95.05044	1.6
95.08614	30.5
97.02888	5.1
97.10178	5.9
99.04490	2.6
99.08102	33.8
105.01862	4.9
105.07010	1.8
106.57294	1.6
107.08614	2.5
109.02889	5.1
109.06579	2.3
109.10169	3.7
111.11739	3.6
113.09680	2.4
116.46939	1.9
119.08495	1.7
127.03954	10.4
136.06177	7.7
137.13272	30.0
153.12793	3.3
155.14316	100.0
173.15396	29.1
191.16428	66.9
193.43820	1.8
193.84071	1.5
209.15359	1.7
235.20866	1.6
311.70380	1.7
383.37924	1.6
425.38071	1.9
437.46884	1.7
439.23721	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06684	1.2
53.03931	1.6
55.01858	3.4
55.05507	4.3
57.03422	1.5
62.58669	1.3
63.96267	1.2
65.03938	1.6
67.05225	1.2
67.05510	13.5
69.03426	3.9
69.07069	5.0
71.04974	1.7
71.55361	1.6
71.55753	1.4
77.69283	1.2
79.05492	12.2
81.03400	2.7
81.07075	11.1
82.06593	7.8
83.04981	3.5
83.06889	2.7
83.08616	1.8
85.02899	2.4
85.06554	2.0
86.20685	1.4
87.97356	1.2
91.05485	18.6
93.07053	16.0
95.04975	10.8
95.08610	9.8
97.06518	5.1
100.07605	2.0
103.05472	4.2
105.07034	32.4
107.04979	3.6
107.08600	11.2
109.06505	4.4
109.10162	9.3
111.08083	2.0
115.05459	4.3
117.07037	10.0
119.04958	1.7
119.08591	37.0
121.06528	2.8
121.10107	6.6
123.04458	1.6
123.08079	2.5
128.06213	4.4
128.07072	2.1
129.06172	1.2
129.06956	7.9
130.07788	1.4
131.04922	1.8
131.08588	11.5
133.06503	11.3
133.10139	11.1
135.08072	10.8
141.07005	2.8
142.07787	5.8
143.08548	11.6
144.09346	3.3
145.06482	7.1
145.10139	11.4
147.04399	1.5
147.08046	8.6
147.11687	3.0
149.02365	2.3
149.05992	2.2
149.09634	13.2
151.07549	2.6
153.06992	2.6
154.07872	2.1
155.08575	7.4
156.09338	7.3
157.06505	1.6
157.10133	32.1
158.10942	2.5
159.08047	8.3
159.11696	18.5
161.06000	11.9
161.09613	5.7
163.07596	8.6
165.06995	2.0
165.09058	1.6
167.08524	3.3
168.09329	3.8
169.05019	2.0
169.10143	14.5
170.10924	5.1
171.08061	3.9
171.11685	23.3
173.05986	2.2
173.09631	8.5
173.11870	2.3
173.13278	8.9
175.07619	6.0
175.11195	3.0
177.09114	15.9
179.07076	2.2
179.08566	3.4
180.09392	2.6
181.10152	4.1
182.10916	1.7
183.08072	4.2
183.11711	24.0
183.13225	2.6
185.09642	6.4
185.13284	6.1
187.07581	1.6
187.11197	8.6
187.14784	1.4
189.05475	5.4
189.09010	1.7
191.06982	3.2
192.09363	3.1
193.10164	6.9
193.12305	3.9
194.10928	3.3
195.08139	2.2
195.11678	9.0
197.09528	6.4
197.13313	5.4
199.11249	9.8
201.09094	2.0
201.12759	5.8
203.10678	2.3
204.09315	2.4
205.10181	4.4
206.10924	2.8
207.11694	10.3
208.12483	2.4
209.09676	3.3
209.13217	8.1
210.10594	1.6
211.11194	5.9
211.13229	2.9
211.14977	1.5
212.40131	1.2
213.09203	2.2
213.12747	6.0
215.08693	1.4
215.10757	3.7
215.14478	1.6
216.09306	1.6
217.10222	2.7
217.12196	2.9
218.10985	2.2
219.11772	4.7
220.12579	3.0
221.13280	9.4
222.10408	1.4
222.13983	2.4
223.11261	3.2
223.14867	3.7
225.12726	4.1
225.16580	1.5
227.10713	3.5
229.10289	2.4
229.12349	5.9
230.10950	2.7
231.11719	4.6
231.13820	4.6
232.12531	5.3
233.09712	2.4
233.13242	5.0
233.15393	3.1
234.14162	1.5
235.11195	4.2
235.14848	5.6
236.67795	1.3
237.12814	4.1
237.16422	2.0
239.10757	1.7
239.14340	2.1
241.12384	2.1
243.11703	5.0
243.13930	2.8
244.12509	3.7
245.13573	6.8
246.14139	3.8
247.14929	5.4
248.12067	2.7
248.15733	1.7
249.12833	3.7
249.16470	3.5
251.14386	1.8
253.10014	1.7
253.12462	2.3
255.13995	1.8
257.13382	6.1
258.14096	6.2
259.11063	2.7
259.15137	6.1
260.11798	1.7
260.15714	2.6
261.12817	3.1
261.16437	3.6
263.14459	2.5
263.17926	1.9
265.12256	2.6
268.12579	1.5
269.13373	2.0
271.11612	2.3
271.14859	2.9
272.11978	2.0
272.15723	2.9
273.12827	3.0
273.16357	6.1
274.13788	1.8
274.17075	1.4
275.14771	2.1
275.17981	3.7
277.16052	2.6
281.15402	1.9
283.14413	1.3
285.13177	1.7
285.16122	1.5
286.13440	1.9
287.14478	2.7
287.17816	2.5
288.15231	1.7
289.12549	1.8
289.15906	4.4
291.14081	2.8
291.17465	3.7
297.16452	1.5
300.15125	2.4
301.15668	7.7
303.14023	2.1
303.17520	3.8
305.12073	1.4
305.15433	3.5
305.18793	2.3
307.13211	2.2
311.14063	2.0
313.12158	1.9
315.17484	5.5
317.15384	2.3
317.19031	1.7
319.16922	8.9
321.18466	4.5
325.15515	1.6
329.15283	8.1
333.18567	7.3
335.16400	1.8
335.20096	1.4
337.14389	1.7
337.18173	3.3
343.16934	8.4
345.18472	2.6
347.16476	16.6
347.20340	1.9
348.17163	1.6
349.17996	2.3
351.19824	2.1
353.15408	1.8
357.18732	1.5
361.18002	17.6
363.19778	1.5
365.17496	17.3
365.21439	1.7
371.16275	6.2
375.19583	5.1
377.21042	1.3
379.19037	15.5
385.17926	1.8
389.17490	13.9
393.20361	6.1
403.19031	9.1
407.18536	26.0
409.20291	2.1
411.21738	2.6
421.20084	29.3
421.26898	1.7
421.27933	1.8
439.21231	100.0
439.27100	7.6
440.21454	1.7
451.92957	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01873	3.4
55.05505	4.3
60.61831	1.6
67.05509	10.1
69.03428	3.3
69.07064	4.6
69.90457	1.7
71.13329	2.1
71.13657	2.4
74.68526	1.7
79.05496	16.5
81.03410	6.4
81.07061	10.6
83.04971	2.7
83.08591	1.8
85.02888	1.9
85.06542	3.3
91.05480	21.8
91.59583	1.6
93.07047	16.8
95.04975	12.6
95.08611	13.5
97.02911	2.4
97.06551	3.5
103.05481	3.8
105.07037	24.4
107.04999	2.7
107.08596	18.5
109.06529	5.8
109.10178	4.5
115.05489	4.9
117.07024	13.8
119.08588	45.8
119.09447	2.8
121.06515	8.6
121.10143	7.8
123.08119	2.0
128.06244	3.9
129.06993	8.3
130.07755	2.1
131.08542	10.6
133.06480	8.1
133.10144	15.5
134.25432	1.6
135.08058	16.5
141.07036	3.6
142.07806	6.9
143.08574	16.3
144.09254	2.7
145.06499	5.2
145.10109	11.2
147.08054	8.3
147.11685	1.6
149.06075	2.0
149.09644	16.6
151.07555	2.6
153.07004	2.6
154.07765	2.5
155.08557	9.3
155.48512	1.7
156.09367	6.4
157.10144	33.3
158.10921	2.6
159.08112	6.8
159.11722	16.5
161.05972	3.3
161.09660	6.2
163.07558	3.0
165.06970	3.3
165.09048	2.8
167.08591	4.3
168.09416	3.2
169.10130	22.0
170.10904	5.2
171.08072	3.3
171.11716	25.9
172.12427	2.0
173.09647	9.4
173.13249	5.2
174.10355	1.8
175.07544	2.0
177.09064	4.8
179.07167	2.0
179.08577	4.3
180.09431	2.7
181.10161	7.7
183.08134	1.8
183.11694	25.7
184.12619	1.6
184.76804	1.6
185.09602	9.4
185.13284	6.4
187.07724	1.8
187.11179	8.8
189.05618	1.5
191.10677	2.3
192.09344	4.0
193.05029	3.3
193.10249	11.9
193.12248	9.6
194.05408	2.4
194.10924	5.3
195.11635	12.8
196.12469	2.6
197.09656	6.7
197.13300	6.2
199.11252	5.8
201.12785	4.5
204.09340	2.3
205.10136	4.7
206.10902	8.1
207.11710	16.1
208.12440	3.8
209.08049	2.9
209.09782	2.7
209.13266	10.7
210.10365	1.7
210.14156	2.0
211.11290	8.0
211.14911	2.8
213.12729	1.9
215.10655	2.5
217.10197	5.9
217.12198	3.8
218.10965	3.3
219.11761	8.7
219.13712	2.6
220.12512	4.5
221.13287	16.8
222.14024	3.1
223.11267	5.2
223.14888	5.8
225.12799	4.3
227.10690	1.8
229.10191	4.4
229.12303	7.0
230.11055	4.4
231.11798	12.3
231.13737	2.9
232.12483	7.6
233.13298	7.5
233.15399	3.2
234.14070	3.5
235.11267	2.8
235.14832	10.9
236.11957	2.0
236.15512	1.7
237.12804	5.2
237.16518	5.2
239.14212	2.5
241.12268	1.8
243.11728	5.2
243.13899	5.0
244.12549	6.9
245.09604	2.2
245.13603	11.4
246.14047	10.1
247.11169	3.7
247.14893	22.9
248.15750	2.7
249.12781	4.2
249.16451	4.2
251.14316	2.9
251.18069	2.4
253.12430	2.4
256.12582	3.5
257.13373	4.0
258.14142	5.1
259.11176	3.1
259.14844	12.3
260.15671	7.0
261.12799	3.7
261.16483	13.9
263.14417	6.9
263.17999	3.3
265.12198	2.2
265.15857	4.5
270.14050	2.7
272.15543	2.2
273.12781	5.9
273.16434	8.8
274.13467	2.1
275.14301	3.7
275.17899	3.8
276.11328	1.8
277.15933	3.9
279.13928	2.6
279.17529	4.9
281.15314	2.5
283.14758	2.1
285.16516	3.0
286.13892	2.5
287.14441	3.7
287.17896	2.9
289.12598	2.0
289.15906	6.5
291.13995	2.6
291.17484	5.2
293.15472	2.8
300.15112	2.4
301.15851	6.9
303.17371	9.9
305.15399	5.5
307.16901	4.0
307.20508	3.0
311.20044	1.8
315.17343	5.4
317.18866	10.9
319.16888	6.7
320.17804	2.2
321.18372	16.0
327.17313	2.2
328.14816	2.3
329.15396	6.4
331.17044	2.5
333.18500	4.5
335.16553	2.5
335.19931	8.0
337.18042	4.5
339.19626	3.5
343.16864	8.1
345.18576	5.1
347.16519	15.6
348.17172	2.2
351.19711	3.8
361.17969	18.4
363.19659	6.1
365.17429	33.3
371.16412	2.3
375.19211	3.3
377.21085	8.0
379.19016	38.8
381.21103	2.6
389.17429	9.4
393.20688	6.0
395.22147	7.2
403.19058	5.8
407.18558	47.1
408.19116	1.9
411.21884	3.2
421.19992	19.7
439.21225	100.0
439.26859	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	439.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
54.55409	0.4
55.01869	0.9
55.05508	2.0
57.07074	0.5
61.02900	0.5
65.03940	0.4
67.05502	3.6
68.99787	0.5
69.03432	6.5
69.07066	2.5
70.31699	1.5
71.04990	0.5
77.03940	0.4
79.05503	4.7
81.03422	2.1
81.07065	5.9
83.04962	2.0
83.08620	1.5
85.02901	3.4
85.06567	0.6
87.00810	1.0
91.05479	5.9
93.07061	4.0
95.04963	4.3
95.08607	2.5
97.02894	1.7
97.06532	1.0
98.40353	0.4
99.04449	0.8
105.01852	0.9
105.06399	0.6
105.07047	9.6
107.04973	3.3
107.08607	16.8
109.02875	1.7
109.06542	2.4
109.10155	7.6
110.10480	0.8
111.04416	0.7
115.05452	1.4
117.07042	2.4
118.07817	0.5
119.06103	0.5
119.08582	4.4
121.06525	2.6
121.10151	12.5
122.07296	5.5
123.08104	1.7
127.03898	2.8
129.07068	0.7
129.74893	0.4
131.08580	2.9
133.10138	100.0
134.10448	0.7
135.08060	5.8
135.11687	1.6
137.09625	49.4
142.07835	0.5
143.08580	1.3
143.10677	1.0
145.04974	0.9
145.10115	2.4
147.08107	0.5
147.11691	1.9
149.09636	4.1
149.13272	7.7
154.52965	0.5
156.09430	0.6
157.10162	0.9
157.12262	0.6
158.10934	1.4
159.08118	0.4
159.11713	0.9
161.05975	0.5
161.09688	0.6
161.13295	0.5
163.14847	1.8
169.10139	0.7
171.11742	0.8
173.05966	0.6
173.09683	1.0
173.11761	0.7
173.13268	5.9
174.12151	0.4
175.13307	1.2
181.10074	0.5
185.13266	0.6
187.11165	0.5
187.14780	0.4
189.12694	0.5
191.14317	45.5
197.09778	0.4
203.14342	0.5
213.03961	1.3
215.14349	0.6
231.05046	1.1
231.13835	0.7
233.15569	0.7
299.16586	0.5
313.14032	0.5
335.18549	0.6
421.19467	1.0
439.21344	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	439.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
56.96556	0.5
57.03439	1.0
59.89710	0.5
61.02918	1.2
65.02551	0.3
67.05470	0.4
69.03429	5.2
70.06579	1.6
71.04967	0.4
73.02905	1.2
78.87565	0.4
81.03439	2.8
81.07057	0.7
84.04492	1.0
84.08106	0.4
85.02908	8.1
87.04445	1.9
91.03913	0.6
93.07047	0.4
97.02892	3.2
97.06532	0.9
98.03179	0.4
98.97574	1.8
99.04423	0.8
103.03930	0.8
104.07104	1.4
109.02882	1.1
111.04432	0.8
115.05428	0.9
116.07094	1.3
117.07375	0.5
123.04427	1.0
127.03912	2.0
128.06218	0.6
128.31358	0.4
129.06996	1.3
137.05975	0.9
139.03937	0.9
139.05397	0.6
143.04927	2.0
145.04955	2.2
147.04370	0.7
147.08098	0.7
157.05150	0.6
157.06474	3.4
157.08609	0.7
161.05995	2.8
163.03944	0.5
171.04433	4.4
173.06055	0.4
175.07549	0.9
177.05482	0.5
185.05977	13.6
189.05460	5.8
193.18753	0.4
199.03920	1.6
200.04684	2.2
203.07034	1.3
211.68330	0.4
213.05473	100.0
214.05951	0.6
217.04941	2.9
219.01820	1.2
231.06548	16.8
237.02806	0.8
259.06027	36.7
277.07071	10.8
301.09167	0.5
305.09085	0.6
387.54013	0.5
439.16553	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.285
Annotation	Nudicaulidine
Peak:m/z	Relative Intensity
50.23849	0.9
55.05503	3.8
57.07082	5.2
58.06597	1.5
59.81495	0.9
65.03946	2.4
67.04242	5.7
67.05511	6.3
68.05019	1.2
69.03436	3.3
69.07070	2.5
70.06594	12.2
70.10437	0.9
70.52616	1.0
71.08643	1.1
72.86017	0.8
79.05497	4.4
79.90527	0.8
80.05023	2.0
81.03426	1.2
81.07065	6.1
82.06583	87.6
83.07372	1.5
83.08599	1.8
88.04010	3.0
88.07636	14.3
91.05486	4.2
93.07014	3.9
95.04984	1.2
95.08616	2.6
97.02888	1.4
98.46153	0.9
100.07619	17.0
102.09186	9.8
105.07054	4.1
107.04970	1.4
107.08601	2.5
109.06464	1.0
109.10165	2.3
117.07032	0.8
119.08598	2.8
121.10149	1.4
126.05539	4.4
127.01601	0.9
128.07083	46.2
131.08583	1.0
133.06551	1.0
133.10124	1.6
135.11708	1.0
145.10144	1.7
146.08119	12.7
147.08105	0.9
149.02357	43.6
149.03456	2.8
149.36841	0.8
154.61841	0.8
157.10092	1.1
159.08154	0.9
159.11800	1.4
164.11630	1.0
184.20607	0.8
185.13454	0.8
193.04982	44.2
199.11272	1.1
222.13603	1.1
228.23236	36.9
237.07588	52.1
240.65431	0.9
257.76620	1.0
272.25894	1.0
275.20172	1.1
322.20212	1.7
326.19647	8.1
338.19647	1.8
340.21185	16.1
402.26257	1.2
410.89371	0.9
420.18835	1.3
420.27527	14.5
438.20160	5.0
438.28571	100.0
439.28577	1.7
453.27176	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23849	0.9
55.05503	3.8
57.07082	5.2
58.06597	1.5
59.81495	0.9
65.03946	2.4
67.04242	5.7
67.05511	6.3
68.05019	1.2
69.03436	3.3
69.07070	2.5
70.06594	12.2
70.10437	0.9
70.52616	1.0
71.08643	1.1
72.86017	0.8
79.05497	4.4
79.90527	0.8
80.05023	2.0
81.03426	1.2
81.07065	6.1
82.06583	87.6
83.07372	1.5
83.08599	1.8
88.04010	3.0
88.07636	14.3
91.05486	4.2
93.07014	3.9
95.04984	1.2
95.08616	2.6
97.02888	1.4
98.46153	0.9
100.07619	17.0
102.09186	9.8
105.07054	4.1
107.04970	1.4
107.08601	2.5
109.06464	1.0
109.10165	2.3
117.07032	0.8
119.08598	2.8
121.10149	1.4
126.05539	4.4
127.01601	0.9
128.07083	46.2
131.08583	1.0
133.06551	1.0
133.10124	1.6
135.11708	1.0
145.10144	1.7
146.08119	12.7
147.08105	0.9
149.02357	43.6
149.03456	2.8
149.36841	0.8
154.61841	0.8
157.10092	1.1
159.08154	0.9
159.11800	1.4
164.11630	1.0
184.20607	0.8
185.13454	0.8
193.04982	44.2
199.11272	1.1
222.13603	1.1
228.23236	36.9
237.07588	52.1
240.65431	0.9
257.76620	1.0
272.25894	1.0
275.20172	1.1
322.20212	1.7
326.19647	8.1
338.19647	1.8
340.21185	16.1
402.26257	1.2
410.89371	0.9
420.18835	1.3
420.27527	14.5
438.20160	5.0
438.28571	100.0
439.28577	1.7
453.27176	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
54.30386	0.3
55.01869	0.5
55.05507	1.0
57.03423	0.7
67.05505	1.6
69.03416	1.2
69.07064	0.6
69.45781	0.4
69.46194	1.8
70.06576	0.7
73.84490	0.4
79.05490	1.8
80.25089	0.3
81.03417	9.5
81.07057	4.6
83.04977	1.0
83.08611	2.5
85.02894	1.3
85.06562	0.4
86.09667	0.3
87.00823	0.4
91.05482	2.3
93.07043	1.1
95.04964	2.6
95.08611	0.7
97.02888	2.2
97.06562	0.5
99.04445	0.4
105.07034	1.5
107.04975	0.7
107.08613	0.5
109.02869	1.6
109.06521	7.1
109.10152	0.9
111.04470	0.7
111.08092	1.1
115.70958	0.3
116.07057	0.4
119.03559	0.9
119.04964	0.7
119.08584	1.3
121.10138	0.7
127.03934	1.7
127.07536	1.0
129.07004	0.8
131.08572	0.7
133.10170	0.5
136.06187	100.0
137.05975	12.5
142.07756	0.3
145.04991	0.5
145.10123	0.3
147.08051	1.3
147.11676	0.8
155.07014	3.3
155.10748	0.3
155.52083	0.4
157.10117	1.0
165.12717	0.3
173.08112	4.1
175.11174	1.2
190.08705	0.5
193.12241	5.1
211.13260	0.6
263.09100	0.4
267.15903	2.4
281.10208	4.6
285.17020	1.2
299.11325	1.9
306.05801	0.6
317.12305	0.7
361.43869	0.3
420.22510	6.5
434.10516	0.3
438.23798	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	438.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01868	2.0
55.05498	5.3
56.05027	1.3
57.03438	2.1
59.05000	1.5
67.05508	15.2
69.03430	15.7
69.07053	3.3
70.04353	5.3
70.06600	1.8
71.01357	1.2
71.05010	1.3
72.08130	1.8
73.02908	1.1
76.02261	1.1
79.05482	4.5
81.03410	5.5
81.07039	4.0
83.04968	8.5
83.08611	1.3
84.04501	7.5
85.01147	1.7
85.02909	12.8
86.00655	2.2
86.06065	1.9
86.09814	1.1
86.99043	4.9
91.05469	8.4
93.07056	10.6
95.04982	2.4
95.08609	80.0
97.02881	3.7
97.06509	2.4
97.10190	3.3
99.04453	1.3
105.07037	6.7
107.04926	3.1
107.08629	6.9
109.02867	3.7
109.06506	3.8
109.10166	3.8
110.06041	1.4
111.04430	1.4
111.08090	2.8
112.02157	2.4
113.05992	2.1
116.01723	2.3
117.07004	1.8
119.08582	5.4
119.99496	1.2
121.06513	3.9
121.10155	6.2
123.08089	5.7
125.06026	2.2
125.09606	1.8
127.03892	4.2
130.03270	1.5
130.05040	1.8
131.08665	1.5
133.02901	1.3
133.10127	4.6
135.08034	4.7
135.11761	1.4
137.05998	3.1
137.09628	8.1
139.07516	3.5
143.02740	2.2
145.04945	4.4
145.06483	1.4
145.10149	3.8
147.11702	2.7
149.06055	1.9
149.09622	3.0
153.09097	12.7
154.04967	1.2
157.10141	1.7
159.07950	1.2
159.11731	2.8
163.05931	1.9
163.11211	7.8
167.07039	5.5
172.06091	1.1
172.09694	2.0
175.11171	4.2
177.12788	2.7
179.10687	4.4
189.03290	8.5
189.71069	1.2
192.68201	1.5
193.12248	11.6
205.12265	9.2
215.04910	2.8
223.13290	100.0
230.40334	1.3
241.14359	26.5
259.15613	1.2
276.12350	1.9
298.12769	2.6
322.72415	1.6
325.83481	1.3
334.14731	1.4
452.06964	1.3
459.31195	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41129	0.8
52.50872	0.8
53.03945	1.9
55.01866	2.8
55.05508	1.9
57.03413	1.4
61.02912	1.9
62.52969	0.8
69.03427	6.0
69.07063	5.0
69.40736	4.9
69.41136	1.3
71.04974	1.0
71.08636	47.2
71.43633	0.8
73.02926	1.8
81.03427	7.1
81.07059	1.5
85.02914	18.0
87.00829	8.8
91.05524	0.9
92.81749	0.8
95.04953	1.0
96.69006	0.8
97.02907	8.7
99.04459	2.7
99.08099	100.0
105.01871	8.3
105.07028	1.2
107.08615	0.9
109.02872	3.9
119.08560	1.9
124.04418	0.9
127.03930	9.9
129.12764	11.6
131.08574	1.3
133.10141	1.2
145.04953	4.1
149.09703	1.0
155.08582	2.5
155.14340	2.8
159.02859	3.8
161.05963	0.9
161.09561	0.9
173.15385	77.3
181.10109	0.9
185.13290	1.2
190.10068	0.8
213.03915	0.9
226.13193	1.1
231.05035	2.3
275.14603	0.8
378.17862	1.3
420.18900	2.3
438.19980	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	438.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01881	0.8
55.05512	0.7
56.05029	1.0
56.96567	3.5
57.03442	1.4
58.99593	1.2
59.05011	0.3
59.48322	0.3
61.02937	1.6
62.06091	0.3
65.03940	0.3
67.05508	0.7
68.05035	0.7
69.03431	4.2
69.07077	0.4
69.63371	0.3
70.02945	0.8
70.06594	57.2
71.04990	0.7
71.54704	0.4
72.04521	0.4
72.08159	0.6
73.02921	0.6
73.06554	0.3
74.00665	1.0
74.37220	0.3
74.82634	0.3
76.02241	1.5
76.04002	1.0
79.05492	0.4
79.94052	0.3
80.05031	0.8
81.03427	2.0
81.07059	0.5
82.06583	0.6
83.04999	0.5
83.06098	0.6
83.18627	0.3
84.04508	9.7
84.08150	0.4
84.96045	0.8
85.01137	2.8
85.02908	10.0
85.04044	0.4
86.00646	2.5
86.03244	0.7
86.06062	0.5
86.99055	5.7
87.02661	0.3
87.04479	1.6
88.02222	0.4
91.03962	0.6
91.05503	0.6
95.04970	1.1
96.04523	0.5
96.08158	0.5
97.01128	0.7
97.02895	4.1
97.06521	2.1
98.97586	15.0
99.04464	0.9
99.97958	0.4
100.07594	1.4
101.00815	0.3
102.03790	1.7
102.05541	1.3
104.07129	0.4
105.03381	1.6
107.04968	0.4
108.04487	0.7
109.02872	0.6
109.07630	0.5
110.07137	0.3
110.97556	2.5
111.04438	1.1
112.02193	3.2
112.99142	0.6
114.03776	1.0
114.05534	0.4
116.01691	1.8
116.07095	100.0
116.98627	4.5
117.07426	0.8
118.08645	0.6
119.01817	0.7
122.08653	0.3
123.04423	0.3
124.99124	0.6
125.05988	0.8
127.00721	0.4
127.02220	0.6
127.03932	2.5
128.05293	0.3
128.07048	0.4
128.98589	1.7
129.06587	0.6
129.10138	0.3
130.03215	1.4
130.04991	3.2
131.00182	0.6
134.99683	0.7
136.07642	0.3
137.05956	0.7
138.05441	0.5
140.06982	0.3
140.98607	0.4
141.05492	0.4
142.03217	1.5
143.00163	1.1
143.01952	0.4
143.02797	3.4
144.01167	0.7
145.01706	0.9
145.02852	0.5
145.04968	2.2
145.06047	0.6
146.04121	0.5
146.08118	0.9
146.99626	0.7
147.03275	0.5
147.04384	1.1
152.98590	0.4
155.02809	0.4
155.04649	2.8
155.08147	0.6
155.54752	0.4
158.02710	0.5
158.99660	7.1
159.03267	0.4
159.04834	0.4
159.06503	0.7
161.01230	1.3
161.02940	0.7
161.04620	0.7
162.02199	0.7
163.04013	0.6
169.04326	0.7
170.06354	1.1
170.99667	1.5
171.03365	0.5
175.02855	0.5
175.04408	0.3
177.00720	3.9
177.03165	1.6
177.05582	0.8
179.04874	1.2
181.04883	0.9
185.01216	0.7
187.02852	0.4
187.04529	0.4
188.07439	0.4
189.00677	0.9
189.03238	8.7
190.04926	0.5
190.98627	0.3
191.03857	0.4
196.04289	0.7
201.00739	1.0
203.02269	1.3
203.04047	0.3
205.06477	0.5
215.04846	4.9
217.04062	0.3
217.06387	1.1
219.01791	5.0
224.03702	0.5
225.07013	0.4
227.06786	0.7
231.05501	0.5
231.07785	0.6
233.05948	1.2
236.07318	1.0
237.02818	4.6
238.03249	0.5
245.03203	0.4
245.05476	0.4
257.09372	0.4
258.15347	0.4
261.06329	0.4
262.07062	0.7
266.55710	0.3
271.07678	0.4
272.10223	0.4
273.08368	0.5
276.07370	0.6
278.10208	2.3
278.60312	0.3
287.07095	1.4
288.06274	0.5
289.05835	0.6
291.07233	2.8
291.10312	2.7
293.05270	0.5
293.10699	0.4
306.09689	4.8
306.59738	0.9
307.07108	0.6
307.10330	0.9
309.08505	6.1
310.08948	0.4
312.09625	2.0
313.10425	0.9
319.06995	0.6
323.06491	0.4
332.10068	0.4
335.10037	0.5
337.08008	0.7
341.10226	0.4
345.11328	0.4
348.10382	1.3
351.09479	1.1
353.11038	0.4
357.09045	0.4
362.10004	0.5
365.26834	0.3
393.10751	0.5
395.11945	0.6
421.10223	0.6
438.15311	1.1
438.21866	0.3
439.11438	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01869	2.8
55.05504	6.8
57.03440	3.3
57.07072	4.5
59.05011	3.3
67.05502	10.8
69.03434	19.6
69.07058	8.2
70.06561	2.0
71.04985	8.6
71.54791	3.3
72.08164	2.3
73.02921	9.1
74.00665	3.4
79.05492	7.5
81.03429	25.3
81.07063	56.7
83.01314	2.2
83.04945	3.3
83.08632	7.9
84.04507	4.3
85.02917	22.4
85.06550	31.8
87.00838	5.1
87.04448	3.0
93.07045	5.5
95.04977	7.2
95.08619	5.0
97.02901	89.3
97.06532	5.8
99.04446	9.7
99.08100	7.9
101.06030	1.9
102.08173	1.9
105.01896	5.3
107.04944	2.1
107.08626	2.7
109.02892	49.2
109.06524	40.6
109.10165	18.7
111.08118	2.2
113.06002	10.5
121.10200	2.4
125.06057	2.8
127.03926	54.7
127.07571	100.0
129.09149	8.8
136.06204	56.3
137.05966	7.3
137.09605	5.6
139.11194	8.1
145.04971	12.4
155.07063	38.0
155.10701	29.8
155.14291	7.6
157.10277	2.6
173.08124	71.5
173.11754	37.2
181.12332	2.1
191.16400	6.2
203.04988	3.1
223.13271	2.3
240.96545	1.9
241.14377	6.9
245.10190	11.8
251.11826	2.6
261.57452	1.9
281.10226	25.7
291.08313	4.6
299.11276	69.1
317.12317	16.4
385.14825	2.4
420.22778	2.5
438.23526	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	438.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40442	0.3
62.06094	0.4
65.71733	0.4
65.94760	0.3
69.52737	2.0
70.06596	55.9
76.58244	0.3
85.02908	0.7
87.04473	0.8
97.02840	0.4
98.97565	0.6
104.07139	1.0
116.07098	100.0
126.02662	0.3
169.80054	0.3
185.01321	0.4
203.02161	0.6
282.77567	0.3
439.08148	0.7
448.37100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
54.54904	1.0
55.01868	2.2
56.05027	2.6
56.96576	1.3
57.95480	1.0
58.99584	4.0
61.01145	1.8
61.18047	1.1
64.20550	1.1
67.05517	1.7
68.05022	2.0
69.03434	2.8
70.02933	2.2
70.06599	60.5
72.04518	2.2
72.08134	1.5
74.00685	2.8
74.89822	1.2
76.02242	6.6
76.03991	1.3
76.61651	1.2
80.05014	1.2
83.06095	2.1
84.04047	2.2
84.04514	31.1
85.01138	12.6
85.02908	4.5
86.00652	11.0
86.99054	23.9
88.02219	1.9
95.04981	2.6
96.04471	1.3
97.01118	2.1
97.06525	6.7
98.00691	1.6
98.20731	3.3
98.97598	3.1
101.00910	1.6
102.03782	6.2
102.05540	4.9
104.07060	1.4
105.03402	15.3
108.04469	1.2
109.02979	1.1
109.07642	1.8
112.02201	11.0
112.03946	1.4
113.05973	1.3
114.03762	4.1
116.01699	7.6
116.07100	100.0
117.03456	1.2
119.01952	1.3
127.02159	2.2
127.03907	2.2
127.76842	1.2
129.06589	1.8
130.03249	7.3
130.05025	9.7
134.24408	1.1
135.04456	1.5
137.08324	1.2
142.03256	5.9
143.02785	10.9
144.01163	2.2
145.02963	1.5
145.05035	1.4
145.06100	1.6
147.04385	2.8
153.06538	1.6
158.02725	2.9
158.99615	1.4
161.02847	1.1
162.02219	3.4
168.04875	1.6
169.04315	3.5
170.06386	2.9
171.02278	1.5
172.09746	1.7
177.00690	1.2
177.03349	2.6
177.05487	3.1
179.04831	2.5
181.04814	1.3
189.03287	33.5
191.03966	1.4
196.04312	2.1
205.06473	2.8
206.08562	1.7
215.04854	16.5
217.06496	4.8
224.03964	1.3
229.02214	1.2
232.05127	1.4
233.05872	6.0
257.09647	1.9
287.07025	6.5
288.94009	1.1
291.10080	13.4
299.06754	1.3
309.11087	2.5
317.11539	1.4
362.10184	3.6
423.94379	1.3
438.07318	2.4
438.13266	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	438.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57881	1.8
52.70680	1.8
54.67402	1.9
55.01868	5.4
56.05032	7.4
56.08718	1.7
56.64139	1.7
57.03428	2.7
58.99586	13.4
61.01130	2.9
67.05514	3.4
68.05025	4.4
69.98176	8.2
70.02951	7.1
72.04515	7.1
74.00665	9.7
74.02456	2.4
76.02234	18.9
76.04019	7.1
78.37959	1.7
80.05022	6.3
80.38627	1.7
83.06091	5.4
84.04507	94.1
85.01126	33.3
85.02913	4.6
85.04033	3.0
86.00655	30.0
86.99056	64.7
89.00643	3.9
95.04971	2.8
97.01134	7.1
97.06525	13.9
98.00659	3.3
99.05610	1.8
100.02188	5.1
102.03786	16.1
102.05546	12.7
108.04507	2.4
109.07661	3.6
112.02184	30.0
112.03983	3.2
113.00614	2.5
113.05977	2.4
114.00040	2.3
114.03774	12.4
114.05492	1.9
116.01678	20.4
116.07173	2.0
120.01052	2.3
126.03796	2.3
127.02135	5.1
129.06627	6.1
130.03238	16.5
130.04999	31.0
137.08322	3.0
140.01662	2.7
142.03249	20.5
143.02751	31.5
144.01192	6.0
145.06111	4.3
153.06583	3.9
155.08189	5.6
156.06592	4.3
158.02722	6.9
162.02231	11.4
168.04814	3.7
168.06541	2.6
169.04288	7.6
170.02721	2.3
170.06393	9.3
171.02208	6.4
177.03291	8.6
179.04834	10.5
181.06071	1.9
188.03778	3.0
188.05663	1.8
188.07426	5.4
189.03293	100.0
196.04237	9.8
199.07097	3.0
205.06494	6.7
206.08432	2.4
215.04877	48.3
217.06435	8.0
223.13191	2.8
224.03729	4.9
233.05942	14.9
241.06364	3.5
245.06081	1.9
257.09659	4.3
269.05820	3.2
287.06946	20.4
291.10150	31.1
308.09390	2.0
309.11111	4.4
332.64935	1.9
345.07416	2.8
345.11188	2.7
362.10223	10.9
420.14551	2.7
438.15326	13.3
444.42441	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	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.1
55.05517	14.5
57.07082	6.5
57.66107	2.9
59.05014	3.6
67.05518	30.0
69.07072	20.7
79.05506	19.1
81.07061	29.6
83.04967	7.6
83.08622	11.3
85.06536	2.8
91.05495	25.8
93.07042	31.3
95.04984	4.5
95.08620	45.3
97.06495	3.0
97.10183	7.7
98.21547	3.9
99.08110	5.3
105.07045	35.3
107.08605	100.0
109.06532	9.4
109.10167	73.7
111.08092	3.7
117.07005	4.0
119.08589	41.1
121.10173	28.5
123.08086	4.2
123.11716	12.3
125.09637	13.0
129.07037	3.3
131.08568	14.2
133.10143	36.2
135.08055	3.8
135.11719	14.6
137.09721	2.3
143.08582	10.6
145.10147	29.1
147.11705	29.2
149.13252	7.3
151.11201	7.4
155.08534	2.9
157.10139	14.0
158.10913	3.0
159.11699	34.3
161.13286	16.4
163.14862	4.9
165.12804	3.8
169.10118	5.9
171.11717	13.5
173.13268	17.1
175.14842	9.5
177.12770	4.4
179.14336	4.5
181.10078	2.8
183.11763	4.4
185.13246	8.4
187.14810	23.8
189.12865	3.0
189.16357	15.4
197.13293	5.9
199.14824	12.5
200.15332	2.8
200.99652	2.2
201.16428	16.0
201.17967	2.7
203.14252	3.9
203.18034	6.8
205.15929	8.6
209.13336	2.8
211.14847	6.6
213.16409	11.2
215.18016	5.6
217.15831	4.4
219.17494	2.6
223.14758	3.0
225.16356	8.8
227.17963	7.4
229.03412	3.6
229.15796	4.5
231.17470	9.9
237.16487	2.6
239.17900	6.9
241.19402	3.0
245.19092	8.7
249.10835	2.4
253.19576	6.2
257.19058	16.4
267.21057	3.8
270.43707	2.5
271.20584	4.2
281.22568	3.7
283.20578	3.6
285.22241	5.5
285.25363	2.4
295.24103	15.6
307.20529	2.5
309.22198	3.5
311.23755	24.8
313.25223	31.0
329.24670	5.6
337.25232	3.8
341.25018	3.3
363.26730	3.1
409.34680	6.8
419.33130	28.4
437.34195	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2321
Annotation	11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide
Peak:m/z	Relative Intensity
53.03947	1.3
55.01878	10.0
55.05513	2.6
57.03445	0.5
57.07063	0.5
65.03937	1.6
67.05166	0.8
67.05507	8.6
69.03432	4.2
69.07076	3.4
70.72375	0.4
71.04990	1.3
71.55880	0.8
73.06551	0.8
78.34075	0.4
79.05493	7.6
79.49805	0.5
81.03414	8.8
81.07059	7.9
83.04975	1.9
85.06552	1.0
91.05482	18.2
93.07043	9.2
95.01350	1.1
95.04973	12.7
95.08603	5.1
97.06549	2.8
103.05460	3.1
105.07033	17.0
107.04951	4.9
107.08596	6.9
109.06514	7.5
109.10174	2.9
111.08064	0.8
113.06015	1.1
115.03973	0.6
115.05434	8.2
115.07510	0.6
116.06234	1.7
117.07024	15.1
119.04952	1.2
119.08581	20.9
121.06497	4.7
121.10155	3.4
123.08068	1.9
125.05991	0.6
128.06232	5.1
129.07004	13.4
130.07791	2.3
131.04907	3.2
131.08571	14.2
131.09523	1.0
132.05705	1.1
133.06502	3.9
133.10136	13.2
135.04530	0.5
135.08043	6.6
135.11667	0.6
137.05948	0.6
137.09615	2.5
141.06961	3.0
142.07776	5.9
143.08563	13.9
144.05698	1.0
144.09294	0.8
145.06497	13.7
145.10124	10.2
146.07304	1.3
147.08052	45.8
147.11719	2.1
149.05963	0.6
149.09625	7.5
151.11208	1.0
152.06230	0.9
153.07010	1.7
154.07796	1.3
155.06079	0.9
155.08575	4.9
156.09352	7.7
157.06558	2.7
157.10135	17.4
158.07272	1.8
159.08051	23.2
159.11700	6.2
161.06017	1.3
161.09627	33.2
161.13286	1.3
163.07571	5.4
163.11188	3.6
165.07018	2.8
165.09163	1.1
166.07794	1.7
167.07309	0.5
167.08543	2.4
167.10736	1.1
168.09415	2.0
169.06464	1.3
169.10130	7.1
170.07263	1.0
170.10901	6.1
171.08054	9.3
171.11687	20.9
172.08788	1.5
172.12268	0.5
173.05977	4.0
173.09630	14.1
173.13240	2.9
174.10388	0.5
175.07553	2.3
175.11195	4.3
177.09177	1.3
178.07787	0.7
179.08546	2.5
179.10667	6.8
180.09319	2.4
181.06409	0.7
181.08632	0.7
181.10083	4.2
182.07281	1.1
182.10947	1.2
183.08015	3.4
183.11690	10.2
184.08820	2.3
185.06061	0.7
185.09628	14.5
185.13245	17.2
186.10443	1.5
187.07576	1.8
187.11166	7.1
187.14832	0.8
189.09082	3.3
189.12767	1.8
191.07031	0.8
191.08658	0.9
191.10687	1.6
192.09389	1.7
193.10152	3.6
193.12019	0.9
194.10942	1.5
195.08099	1.9
195.10049	0.8
195.11708	6.0
196.08875	1.3
197.09624	6.9
197.13263	4.9
198.10394	2.7
199.07573	1.6
199.11186	19.0
200.11957	1.7
201.09097	3.6
201.12753	6.3
203.08623	1.2
203.10669	1.7
203.14323	2.0
205.10182	1.8
205.12242	2.1
206.10974	0.9
207.11726	3.8
208.08891	0.6
208.12541	1.7
209.09708	3.4
209.11255	0.5
209.11559	0.5
209.13229	3.3
210.10382	1.0
211.07497	0.6
211.11148	5.9
211.14821	1.6
213.09175	3.0
213.12749	33.2
215.10606	3.5
215.14336	1.4
217.08453	0.8
217.10306	0.9
217.12067	2.8
218.10956	1.1
219.11736	2.9
219.13814	0.9
220.08977	0.6
220.12523	1.7
221.09729	2.3
221.13303	3.3
222.10458	1.4
223.02768	0.6
223.11227	5.5
223.14755	2.4
224.08336	0.6
224.11925	0.9
225.09177	0.9
225.12747	3.1
226.09985	0.7
227.10774	2.5
229.10187	1.4
229.12251	2.3
230.10942	1.1
231.09854	2.7
231.11926	1.2
231.13771	6.7
232.12517	2.2
233.09590	1.3
233.13278	2.1
233.15329	0.8
234.10381	1.5
234.14063	0.8
235.11243	2.7
235.14932	2.5
236.11929	1.3
237.12776	4.6
237.16420	1.0
239.10695	2.0
239.14395	1.3
241.12247	6.1
242.10951	0.7
243.11662	1.7
243.13843	2.7
244.12596	1.2
245.09483	1.1
245.11719	2.7
245.13445	1.4
245.15388	5.5
246.10406	1.6
246.14015	0.8
247.11142	1.8
247.13243	1.2
248.12013	1.8
249.12788	4.0
249.16605	1.1
250.13586	0.5
251.14296	4.5
253.12276	1.4
253.16014	0.5
255.11633	0.7
255.13991	2.6
256.12457	1.0
257.09436	0.7
257.11453	1.0
257.13535	1.1
257.15506	1.0
258.10364	0.7
258.13959	1.0
259.11026	1.3
259.13187	14.0
260.12024	2.1
260.15485	0.7
261.12662	4.0
261.16638	0.9
262.13556	1.8
263.14282	2.7
263.16638	1.5
264.15228	0.5
265.12253	0.8
265.15878	0.8
267.13864	1.4
268.12494	0.6
269.13208	1.4
270.13898	0.9
271.10983	1.1
271.13409	0.7
271.15216	0.7
272.12048	1.1
272.15515	0.6
273.12518	1.1
273.14880	10.4
274.13501	1.8
275.11557	0.5
275.14267	3.0
275.16809	0.7
276.15085	0.8
277.12308	1.4
279.13895	2.1
279.17026	0.4
281.15457	0.8
282.13953	0.6
283.11108	0.9
283.14578	1.2
284.11963	1.5
284.15509	1.0
285.12781	1.7
285.16327	1.1
286.13535	1.3
287.14243	2.9
288.11731	0.8
288.14896	1.1
289.12189	1.2
289.15744	2.4
291.15921	17.1
295.17093	0.6
297.12720	2.1
298.13513	0.9
299.14343	2.8
299.17807	0.9
300.15155	1.6
301.12601	1.0
301.15869	4.1
302.16705	1.0
303.13837	1.6
303.17490	2.2
305.15314	1.3
305.18829	0.7
307.13016	0.6
309.14832	1.0
311.13815	0.9
311.16602	1.5
312.15112	1.5
313.15744	2.1
314.16602	1.4
315.13983	0.8
315.17514	4.0
316.14517	0.5
316.18170	0.8
317.15329	1.4
317.18997	4.9
319.16959	1.1
321.18369	0.8
323.16449	1.8
326.16653	1.4
327.13800	0.7
327.17371	6.2
328.18243	1.3
329.15335	1.4
329.19043	2.4
330.16196	0.6
331.16885	1.2
331.20636	2.2
333.18600	0.7
335.16391	1.1
335.20251	1.0
341.18976	4.6
344.17743	1.0
345.14847	0.4
345.18466	7.3
346.19269	1.0
347.16583	1.0
348.16949	0.7
351.19778	0.8
354.16025	0.6
357.18472	1.8
359.20065	8.4
361.17929	1.3
363.19644	4.1
369.18304	2.3
375.19589	1.5
377.21204	4.9
379.19174	0.5
387.19531	7.4
389.21201	4.4
391.22787	5.2
393.20566	1.1
395.22107	2.5
401.21219	5.0
405.20624	8.1
407.22137	2.5
409.23825	3.2
419.22180	24.9
437.23257	100.0
438.23337	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.1
55.01870	8.6
55.05512	3.2
57.03439	14.2
61.02919	5.7
65.03941	3.0
65.74955	1.8
67.05500	7.5
68.99786	4.4
69.03432	31.4
69.07052	5.8
70.06601	2.1
71.04996	5.4
71.12711	3.6
73.02921	20.3
74.03233	1.7
79.05499	12.3
81.03420	23.2
81.07059	19.5
81.19849	2.0
84.79781	1.7
85.02908	75.7
85.06564	2.7
86.09675	4.3
87.00827	37.1
91.05498	16.5
93.07047	73.9
95.04958	4.8
95.08614	25.0
97.02898	44.6
97.06497	3.0
98.09673	2.3
99.04446	11.8
105.01868	56.7
105.07031	6.1
107.04945	4.6
107.08597	73.9
109.02885	26.0
109.06538	4.0
109.10178	5.0
115.03949	3.2
119.08591	6.0
121.10120	2.6
123.04398	3.5
123.11678	2.3
126.09126	2.1
127.03922	68.2
128.10667	8.4
128.69231	1.9
129.01833	3.0
131.08615	3.6
133.10077	3.3
135.11697	49.9
137.02380	4.4
137.13339	4.4
141.93909	2.0
145.04953	34.7
147.02922	2.8
147.11671	3.1
153.01834	3.4
153.12723	8.4
159.02884	14.1
163.03940	3.2
173.04451	3.7
177.03961	2.3
177.05499	3.5
183.98143	1.9
188.07080	2.8
197.07916	2.1
229.04863	2.0
230.05406	2.5
231.05002	23.4
243.13736	2.3
249.06055	8.8
258.04892	3.8
261.45319	1.9
279.04272	1.8
303.04993	29.4
304.05347	100.0
305.05487	2.1
383.16824	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66605	1.4
53.03951	8.0
55.01868	8.2
55.05513	4.4
57.03432	5.3
57.10035	1.4
59.83031	1.4
61.02926	6.6
67.05493	6.0
68.99806	1.4
69.03437	21.3
69.07077	4.6
69.33958	12.4
71.01365	1.6
71.04990	4.2
73.02917	12.5
79.05488	13.4
79.65384	1.5
81.03424	21.0
81.07070	11.3
83.04989	1.6
83.08662	1.6
85.02910	55.6
87.00838	22.1
91.03966	2.2
91.05482	22.7
93.07050	87.2
95.04974	4.2
95.08611	9.9
97.02901	26.2
97.06547	7.7
99.04463	11.1
103.51040	1.4
105.01876	24.0
105.07032	9.0
107.08599	100.0
109.02888	22.2
109.06532	3.1
109.10171	6.1
117.01852	2.9
119.08576	2.1
127.03924	52.6
129.01897	3.7
133.10135	4.8
135.11700	66.3
137.13277	3.2
145.04967	29.3
147.02910	2.0
153.01799	1.6
153.09094	2.4
153.12781	7.1
159.02892	15.9
161.09642	1.5
165.12769	2.1
175.11276	2.2
177.04057	2.0
177.12675	1.8
213.04024	2.2
230.05469	1.6
231.05022	12.1
249.06071	4.3
261.14767	1.9
303.04984	9.6
304.05368	32.8
315.13370	2.1
436.27237	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.7
55.01864	11.0
55.05497	13.0
57.03438	5.8
61.02908	5.2
67.05508	14.6
69.03438	28.4
69.07069	11.3
70.06564	4.1
70.52701	11.0
70.53059	3.5
71.04999	7.8
73.02906	11.0
79.05493	22.3
81.03426	28.4
81.07070	31.5
83.04999	6.9
83.27479	3.2
85.02910	84.2
86.06079	3.8
86.48825	3.9
87.00834	25.3
91.05479	29.5
93.07043	91.4
95.04972	7.0
95.08604	19.4
97.02888	41.0
97.06544	15.8
99.04459	11.8
99.08080	4.5
105.01881	32.3
105.07018	19.1
107.04971	6.1
107.08598	100.0
109.02885	22.3
109.06518	4.4
109.10172	9.4
119.08578	6.1
121.06552	5.6
121.10146	4.5
123.08092	4.1
127.03922	41.4
127.11210	3.3
129.01857	4.5
133.10106	8.8
135.08083	4.9
135.11691	84.6
136.06192	7.9
137.13289	9.0
143.08557	4.6
145.04985	29.1
145.10136	4.5
147.11745	4.7
149.09569	4.0
153.12746	18.5
157.10172	4.8
159.02930	14.9
159.11699	4.0
167.07008	6.4
174.32484	4.1
190.12331	3.6
231.04996	12.0
239.16429	6.7
243.13864	4.7
304.05368	11.7
418.16635	4.1
418.22186	8.2
436.18146	5.8
436.23428	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	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66605	1.4
53.03951	8.0
55.01868	8.2
55.05513	4.4
57.03432	5.3
57.10035	1.4
59.83031	1.4
61.02926	6.6
67.05493	6.0
68.99806	1.4
69.03437	21.3
69.07077	4.6
69.33958	12.4
71.01365	1.6
71.04990	4.2
73.02917	12.5
79.05488	13.4
79.65384	1.5
81.03424	21.0
81.07070	11.3
83.04989	1.6
83.08662	1.6
85.02910	55.6
87.00838	22.1
91.03966	2.2
91.05482	22.7
93.07050	87.2
95.04974	4.2
95.08611	9.9
97.02901	26.2
97.06547	7.7
99.04463	11.1
103.51040	1.4
105.01876	24.0
105.07032	9.0
107.08599	100.0
109.02888	22.2
109.06532	3.1
109.10171	6.1
117.01852	2.9
119.08576	2.1
127.03924	52.6
129.01897	3.7
133.10135	4.8
135.11700	66.3
137.13277	3.2
145.04967	29.3
147.02910	2.0
153.01799	1.6
153.09094	2.4
153.12781	7.1
159.02892	15.9
161.09642	1.5
165.12769	2.1
175.11276	2.2
177.04057	2.0
177.12675	1.8
213.04024	2.2
230.05469	1.6
231.05022	12.1
249.06071	4.3
261.14767	1.9
303.04984	9.6
304.05368	32.8
315.13370	2.1
436.27237	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27712	0.7
53.03940	1.1
55.05501	2.2
59.04998	1.6
67.05504	2.6
69.03416	2.5
69.07065	4.8
69.32413	6.8
70.06580	1.0
71.04652	1.0
71.04996	13.3
73.06548	2.5
78.44209	0.7
79.05501	5.0
81.03412	3.1
81.07060	23.9
83.04960	1.3
85.02901	5.5
85.06527	2.7
86.09682	1.2
87.00816	1.6
91.05467	3.0
93.07050	13.8
95.04946	1.4
95.08626	5.3
97.02902	1.9
97.06520	2.3
99.04441	2.1
105.01854	2.6
105.03405	5.9
105.07048	4.2
107.08602	13.7
109.02870	1.1
109.10170	4.5
111.08045	1.1
119.08578	5.9
121.10107	1.4
123.11708	2.7
125.09618	2.8
127.03920	2.8
127.11181	1.9
133.10132	3.0
135.11696	23.4
143.10596	1.3
145.04941	1.4
147.11652	2.5
153.12752	100.0
154.13164	1.3
161.13254	1.9
166.08455	0.9
170.62379	0.7
171.13814	1.8
181.04926	2.1
182.05261	1.3
183.99644	0.8
203.18002	7.9
221.19005	5.9
234.08350	1.3
289.95453	1.0
322.18707	1.0
346.76422	0.8
397.27789	0.8
414.32523	0.8
418.16159	0.9
436.23816	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.1
53.03946	5.0
55.01878	0.6
57.03427	0.5
67.05529	0.6
69.03406	0.5
69.07058	0.6
71.05006	0.5
77.03916	1.2
79.05503	2.3
81.03409	0.9
81.07063	0.9
83.01334	1.3
85.02919	1.2
89.04199	0.4
93.07017	0.8
95.04968	5.2
97.02937	0.6
97.06527	0.5
105.03397	100.0
105.04543	2.9
107.08563	0.5
111.00823	2.1
115.07587	0.7
119.08597	0.5
120.58396	0.4
123.04428	3.9
123.08096	0.5
129.01848	1.4
145.10161	0.4
151.86797	0.4
176.07967	0.5
251.05550	5.2
279.05075	3.1
295.65466	0.4
297.06012	2.8
300.52271	0.4
307.82501	0.4
365.16861	0.4
374.35443	0.5
383.07724	1.4
401.08438	0.9
436.18466	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3259
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
51.90255	0.6
53.03940	0.8
55.05510	7.5
57.07074	1.2
61.28478	0.7
65.03943	0.9
67.05508	9.1
69.03425	1.1
69.07068	8.8
69.23257	6.9
71.05005	1.0
71.08635	1.1
71.97244	0.6
78.01376	0.6
79.05491	7.1
81.03423	1.5
81.07056	12.9
83.04975	2.0
83.08614	4.8
85.06529	1.0
87.56810	0.7
91.05487	7.2
93.07048	13.3
95.04965	2.8
95.08610	27.8
97.06530	1.1
97.10162	2.5
98.20765	1.1
101.86755	0.7
105.07031	11.5
107.04964	0.8
107.08595	17.0
109.06525	1.8
109.10159	17.4
111.08105	1.3
115.05453	1.0
117.07059	3.4
119.08588	14.5
121.06526	1.4
121.10150	13.0
123.08077	3.9
123.11726	5.9
125.09639	1.4
129.06993	3.7
130.07790	0.7
131.08572	8.6
133.10133	15.8
135.08078	1.2
135.11684	5.9
137.09639	2.0
137.13246	1.1
141.07021	1.4
142.07802	2.7
143.08556	11.5
143.09561	1.1
144.09404	0.8
145.10133	13.5
147.08051	1.2
147.11696	9.7
149.09636	1.9
149.13283	2.8
151.11185	2.7
153.09116	0.9
154.07785	1.2
155.08556	6.2
156.09367	4.4
157.10135	17.2
157.11473	0.8
158.10916	1.6
159.08122	0.7
159.11688	15.7
161.09628	1.7
161.13257	5.1
163.11237	0.9
163.14853	2.1
165.09120	0.7
165.65739	0.8
167.08537	1.3
168.09276	0.9
169.10141	12.0
170.10884	2.9
171.11693	14.2
172.12442	1.2
173.09627	1.1
173.11905	1.3
173.13274	10.1
175.11198	0.9
175.14859	2.4
179.08545	1.4
179.14256	1.4
181.10104	4.5
182.10942	2.3
183.11691	14.9
183.13229	1.2
184.12495	2.2
185.09744	0.9
185.13269	19.2
185.14848	1.2
187.11250	1.4
187.14812	8.1
189.12662	1.5
189.16364	2.4
191.14410	0.7
193.10172	1.7
194.10875	1.1
195.11731	8.1
196.12479	2.7
197.13275	9.9
198.13942	1.3
199.11208	1.1
199.14839	9.6
201.12720	1.0
201.16371	4.6
203.14322	1.3
207.11746	2.7
207.13806	1.1
208.12482	3.1
209.13274	10.7
210.14110	2.2
211.14832	13.1
212.15576	1.6
213.16344	6.0
215.14352	0.7
215.18010	1.7
217.15921	1.5
219.11543	1.1
221.13283	2.3
222.13976	0.8
223.14818	15.3
224.15646	2.0
225.16400	10.7
226.17216	2.2
227.14520	1.0
227.17944	7.3
229.15933	1.3
231.17561	0.8
235.14827	2.3
237.16418	6.9
238.17143	1.4
239.17973	8.4
240.18739	1.7
241.19608	4.6
243.17493	1.0
245.19060	0.8
249.16389	2.8
251.17905	4.6
253.19464	7.3
254.20291	1.4
255.17642	0.9
255.21083	4.3
257.18967	1.1
263.17920	3.3
265.19574	2.6
267.21149	1.2
269.19217	1.0
269.22638	1.8
271.20496	1.2
277.19427	1.4
278.20322	3.7
279.21118	3.7
281.22763	1.1
291.21075	2.3
293.22644	30.1
294.23248	3.2
295.17139	0.8
295.24283	1.2
305.22607	1.0
307.20526	1.0
309.22238	1.9
311.23679	45.7
312.24399	2.1
319.24255	1.3
325.21832	1.0
341.24747	1.6
343.22772	1.3
347.23737	1.0
349.25436	0.8
351.23257	2.4
353.24658	1.0
365.24680	2.6
375.23163	2.3
377.28403	0.9
379.26154	2.2
389.32089	1.5
392.27142	0.7
393.28018	1.2
399.30399	1.6
407.33151	1.7
417.26230	1.6
417.31406	15.0
420.30688	0.9
435.27228	8.4
435.32605	100.0
436.33032	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3261
Annotation	Myltaylorione B
Peak:m/z	Relative Intensity
53.03960	0.9
55.01902	0.9
55.05518	7.4
56.60738	0.6
57.03446	1.2
57.07068	1.7
65.03925	0.9
67.05510	11.2
69.03438	1.2
69.06721	1.1
69.07075	15.9
71.04991	0.7
79.05499	8.0
81.07063	12.9
83.04983	2.1
83.08625	4.6
91.05485	9.3
93.07053	16.2
95.04983	2.6
95.08619	21.1
97.06516	0.9
97.10184	2.5
101.16817	0.7
105.07035	16.7
107.08607	23.7
109.06499	2.0
109.10172	11.5
111.08095	1.7
111.11721	0.9
117.07024	4.4
119.08590	20.6
121.06516	1.9
121.10164	13.6
123.08080	4.7
123.11702	7.3
125.09620	1.9
128.06209	1.3
129.07028	3.3
130.07771	1.3
131.08580	10.3
133.10139	17.5
133.66629	0.6
135.08083	0.9
135.11699	16.5
137.09639	1.0
137.13272	1.6
137.55896	0.7
139.11188	0.8
141.06958	1.4
142.07770	5.4
143.08562	8.7
144.09319	1.2
145.10152	16.1
147.11703	10.6
149.09642	1.6
149.13271	3.3
155.08588	5.3
156.09407	3.5
157.10147	37.8
158.10925	1.4
159.08098	1.0
159.11711	23.2
161.09657	1.6
161.13274	5.9
163.11240	2.1
163.14883	1.9
165.12814	1.5
167.08640	1.7
168.09340	1.5
169.10126	11.4
170.10934	3.0
171.11710	21.4
172.12459	1.1
173.09666	1.3
173.13295	12.4
175.11255	3.1
175.14896	3.7
177.12791	1.0
179.08617	2.0
179.14357	1.1
180.09375	1.3
181.10144	5.3
182.10947	3.2
183.11693	14.3
184.12531	0.9
185.13281	14.6
186.14119	0.7
187.11217	1.4
187.14839	12.9
189.12762	1.5
189.16412	3.0
193.10147	2.0
194.10944	1.0
195.11736	7.9
196.12531	2.4
197.13280	20.0
198.13992	1.6
199.14867	9.2
201.16431	10.8
203.14368	1.7
203.17989	1.3
205.15895	2.3
207.11717	2.6
208.12576	1.9
209.13287	11.6
210.14011	2.5
211.11343	0.8
211.14883	9.2
213.12817	1.3
213.16394	3.3
215.14308	1.2
215.17918	2.6
217.15785	0.8
219.11682	1.1
219.17458	2.2
220.49200	0.7
221.13342	2.7
222.14009	1.6
223.14835	11.8
224.15582	1.3
225.16388	7.9
227.14337	2.2
227.17943	3.9
229.15981	1.7
229.19682	0.8
233.13161	0.9
235.14915	3.7
236.15598	1.2
237.16348	5.5
238.17181	1.7
239.14418	1.3
239.17969	6.4
241.15851	1.7
241.19476	2.6
243.17538	1.0
249.16383	3.6
250.17232	1.7
251.17999	5.6
253.19540	9.5
255.17395	1.0
255.21172	2.2
257.19101	2.2
263.17935	4.4
264.18768	0.8
265.19568	2.8
267.21130	3.0
269.19052	1.5
271.20734	1.1
277.19553	2.2
278.20316	2.7
279.17969	1.0
279.21091	4.2
280.97025	0.8
281.19049	4.1
281.22360	1.5
283.20581	2.3
291.21066	3.0
293.19284	1.8
293.22614	26.6
294.23346	2.8
295.20685	3.5
295.23816	1.1
295.42700	0.7
297.22025	1.0
298.08282	0.7
305.22699	2.2
307.20706	0.8
309.22055	1.7
311.23718	63.5
312.24139	1.7
319.24265	2.4
321.22168	1.3
321.25876	2.1
323.23648	1.4
325.25296	1.6
331.24161	3.3
333.22116	1.6
333.25876	1.1
335.23682	1.1
338.25864	1.9
343.22733	1.3
347.23871	2.0
349.25266	1.6
351.26736	1.0
360.76782	0.8
361.25064	1.1
363.26807	1.3
365.24738	4.6
389.32156	5.3
399.30399	3.0
402.29199	1.0
407.33118	17.9
417.27017	1.4
417.31537	35.4
428.57620	0.9
435.27094	35.2
435.32614	100.0
436.32892	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3258
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03941	1.5
54.44817	1.0
55.05507	7.9
57.07068	2.8
67.05506	9.1
69.03423	1.8
69.07072	9.9
69.29871	2.2
69.30289	5.9
71.04131	1.0
71.04980	2.2
79.05494	7.1
81.07061	19.9
83.04976	4.1
83.08611	4.4
85.06533	1.1
89.06021	1.8
91.05486	11.3
93.07043	19.3
95.08614	24.8
97.06512	2.3
97.10181	1.3
105.07036	20.2
107.05016	1.3
107.08598	24.9
109.06515	4.2
109.10157	10.6
111.08083	1.9
116.06203	1.0
117.07017	5.9
119.08585	23.0
121.06517	1.0
121.10139	15.8
123.08103	1.7
123.11692	9.6
129.07002	4.4
130.07819	1.9
131.08568	14.0
133.08629	1.1
133.10141	19.3
135.08087	2.5
135.11690	12.7
137.09578	1.7
137.13251	3.0
139.07536	2.0
141.06969	1.9
142.07799	3.6
143.08560	10.4
144.09357	2.6
145.10132	20.7
147.08034	1.4
147.11681	14.3
149.09650	1.2
149.13266	4.5
155.08531	7.2
156.09358	2.6
157.10147	14.6
158.10841	1.2
159.11702	21.9
161.09642	2.2
161.13257	8.4
163.11191	1.8
163.14836	3.9
165.07027	1.3
165.16585	1.0
167.08600	2.6
169.10156	9.0
170.10919	2.2
171.11707	11.7
173.09618	1.8
173.13275	9.6
175.11261	1.7
175.14877	7.0
177.12764	1.2
177.16350	1.2
179.08604	1.1
180.09433	1.1
181.10143	4.3
182.10861	2.2
183.11667	9.8
184.12358	1.0
185.13281	9.6
187.11169	2.0
187.14828	11.8
189.12753	1.6
189.16391	11.3
191.17990	1.7
193.10162	1.5
194.10942	1.1
195.11743	5.9
196.12465	1.7
197.13293	8.5
198.13991	1.9
199.11267	1.4
199.14822	9.0
201.12810	1.2
201.16360	13.8
203.10614	1.1
203.14288	1.4
203.18005	5.7
205.15984	1.1
207.11865	2.7
208.12564	0.9
209.13330	5.6
210.13924	1.1
211.14793	8.0
211.45607	0.9
213.16388	4.5
215.14432	2.0
215.17950	3.1
217.16039	1.6
219.11658	1.8
219.13878	1.4
221.13228	2.9
223.14848	4.2
225.16423	4.1
227.14366	2.8
227.17957	4.1
229.15926	2.4
233.13466	1.4
233.15501	1.5
235.14928	2.3
237.16333	4.9
239.14508	1.6
239.18019	4.5
241.19608	2.8
245.15440	3.4
247.14822	1.3
247.17061	1.5
249.16440	3.0
251.17953	3.4
253.19518	4.1
254.32553	1.1
255.21112	1.9
261.16229	1.4
263.17917	2.4
264.18652	1.3
265.19388	2.3
267.21060	1.3
271.20752	1.1
277.19479	2.8
279.21149	3.4
281.18839	1.5
291.21228	2.0
293.22656	5.1
294.23657	1.1
295.24164	12.5
297.18472	2.5
299.20178	3.3
305.22818	1.8
313.21744	1.1
319.24167	6.0
321.22397	2.0
321.25937	4.2
333.25809	4.0
335.27325	3.4
339.23132	1.3
345.25763	2.0
351.22867	1.6
363.26788	7.2
365.24564	1.3
389.31906	2.3
392.27011	2.2
393.27985	1.4
399.30499	2.9
407.33386	1.5
417.31494	10.9
435.32623	100.0
436.33170	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.326
Annotation	Myltaylorione B
Peak:m/z	Relative Intensity
54.40340	0.5
55.01864	0.9
55.05514	4.7
57.07067	1.7
57.96948	0.6
59.04991	0.9
67.05511	5.5
69.07073	7.1
69.53631	2.6
69.54037	1.0
70.26695	0.5
79.05493	4.7
80.14069	0.5
81.07063	15.2
83.04988	6.6
83.08631	3.3
83.11360	0.6
85.06538	1.3
85.10228	0.7
86.75391	0.6
91.05482	4.2
93.07050	8.5
95.04964	0.6
95.08615	12.5
97.06531	2.3
97.10149	1.7
99.08089	2.0
105.07029	8.5
107.08604	13.8
109.06538	6.4
109.10155	10.4
111.08077	0.9
113.09626	0.8
114.53487	0.6
117.07018	1.9
119.08593	11.4
121.10159	7.8
123.08075	4.4
123.11745	5.5
125.09615	3.1
128.06178	0.6
129.07037	1.2
131.08578	6.4
133.10139	9.5
135.08017	1.3
135.11722	4.2
137.09602	2.4
137.13251	1.0
139.11185	1.0
141.06961	1.2
142.07742	0.9
143.08568	4.2
144.09355	0.9
145.10127	7.7
147.08009	1.1
147.11707	7.2
149.09627	1.9
149.13257	1.4
151.11162	3.1
153.05502	0.9
155.08571	2.0
156.09282	1.0
157.10144	6.4
158.10893	0.7
159.11702	13.4
161.09686	1.5
161.13257	3.7
163.11234	1.6
163.14835	1.0
165.12714	3.3
167.08543	0.7
169.10112	3.7
171.11685	7.4
172.12558	0.6
173.09610	1.3
173.13269	9.2
175.11211	1.6
175.14851	2.2
177.12743	2.8
181.10155	1.7
182.10869	1.3
183.11710	4.6
185.13248	7.0
187.01941	0.5
187.11218	1.5
187.14832	4.3
189.12770	1.7
189.16385	0.7
191.14351	1.6
193.10201	1.1
195.11725	4.5
196.12479	0.8
197.09595	0.6
197.13263	5.3
199.14790	4.1
201.12706	3.5
201.16460	2.2
203.14380	2.0
205.15849	0.8
207.11729	1.8
208.12497	0.8
209.13199	4.3
211.14841	4.9
213.12784	1.2
213.16301	2.9
215.14348	1.9
215.17982	1.1
217.15903	1.0
219.11658	0.7
221.13266	2.5
223.14790	5.3
225.12807	0.8
225.16353	5.9
227.14352	1.7
227.17963	1.6
229.15881	2.1
229.19530	0.9
231.17456	1.3
233.13260	1.0
235.14844	1.5
236.15588	0.8
237.16386	3.2
239.14406	1.0
239.17967	2.9
241.15901	1.5
243.17493	1.6
245.19000	0.8
247.14868	1.1
249.16357	2.2
251.17963	2.5
253.15919	1.7
253.19530	1.8
255.17543	1.8
255.21111	1.4
257.18945	3.0
259.15042	0.9
263.17947	1.8
265.16064	0.8
265.19586	2.1
267.17505	1.6
267.20944	1.0
269.18967	2.8
271.20602	1.5
275.17978	0.9
277.19513	0.9
279.17432	0.9
279.21072	1.1
281.19104	1.3
283.20654	2.8
285.22113	1.5
291.17331	0.6
291.21213	1.1
293.19345	0.9
293.22668	3.6
295.20676	2.1
295.24335	0.8
297.22070	0.7
303.21176	1.1
305.22461	0.9
307.20590	1.2
307.24274	0.6
309.22180	7.0
311.23691	33.1
312.24448	0.7
321.22067	2.1
323.23755	1.1
325.25259	1.0
331.24271	2.5
333.22311	1.0
333.26105	0.6
335.23715	2.2
337.21756	0.8
337.25043	2.9
339.23184	2.3
343.23819	0.8
347.23584	2.2
349.25339	4.3
351.26715	1.3
361.25317	1.9
365.24783	2.4
375.26886	0.7
377.28439	2.0
379.26352	1.8
407.29010	0.7
407.33282	5.6
417.31491	21.4
435.32614	100.0
436.32928	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	435.326
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
52.06702	0.3
53.03944	0.5
55.05515	12.3
57.07072	0.4
67.05497	1.6
69.03432	1.5
69.07071	2.0
69.23378	2.1
69.23803	1.4
79.05491	2.1
81.07068	3.5
83.04985	100.0
83.08612	0.9
85.06567	0.6
91.05474	2.4
93.07049	2.4
95.04964	1.0
95.08621	3.3
97.06515	0.8
97.10171	0.3
99.08141	0.4
105.07048	3.5
107.08602	4.3
109.06509	1.1
109.10172	2.1
111.08094	1.2
117.07011	0.9
119.08603	4.3
121.06534	0.8
121.10149	2.7
123.08054	1.4
123.11725	1.0
125.09642	5.4
129.07008	0.7
131.08563	2.0
133.10149	3.0
135.08115	1.2
135.11696	1.6
137.09605	0.7
139.71754	0.4
143.08562	1.1
144.09335	0.6
145.10127	2.6
147.11673	2.2
149.08403	0.8
149.09619	16.4
149.13290	0.6
151.11227	0.5
157.10130	2.0
159.11681	3.1
161.13287	3.2
163.11203	1.4
165.12787	1.1
169.10088	1.0
171.11668	2.1
173.13264	2.3
175.11272	0.6
175.14827	1.4
177.12743	5.5
181.10161	0.6
183.11703	1.2
185.13263	2.0
187.11157	0.4
187.14841	1.3
189.12807	0.9
191.14297	1.0
195.11742	1.0
196.12582	0.4
197.13261	1.1
199.14833	1.2
201.12836	0.6
203.14278	0.7
208.12515	0.4
209.13304	0.8
211.14864	1.1
213.16437	1.2
215.14264	0.6
223.14920	0.7
225.16472	0.6
227.18022	0.9
229.15829	0.7
231.17459	0.5
241.15837	0.5
245.19017	0.7
249.16348	0.6
251.18073	0.6
255.21156	0.5
257.19058	0.8
263.17868	0.5
265.19385	0.4
271.20651	0.4
273.22205	0.5
283.20560	0.9
305.22363	0.4
309.22086	0.4
311.23761	0.5
313.63904	0.4
335.23862	0.7
337.25299	4.2
349.25443	0.6
351.26874	0.5
361.25095	0.4
379.26367	0.6
417.26550	0.6
417.31403	2.7
424.51593	0.4
435.32623	39.5
436.32831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01867	1.5
55.05503	3.9
57.03431	2.2
61.02940	1.9
64.54895	1.5
67.05508	17.3
69.03431	14.7
69.07072	27.4
69.38352	3.1
69.38766	8.3
70.06599	1.8
71.05016	6.8
79.05487	4.4
81.03421	8.6
81.07060	20.2
83.04980	4.9
85.02893	12.7
85.06520	1.3
91.05470	3.9
92.49601	1.3
93.07063	6.7
95.04977	5.7
95.08591	6.1
97.02895	21.6
97.06537	1.9
99.04453	5.1
105.07034	6.5
107.08602	19.4
109.02875	3.9
109.06547	6.9
109.10161	100.0
111.04424	2.5
113.06022	2.5
117.07059	2.9
119.08586	4.8
121.06525	2.0
121.10134	6.5
123.08096	3.1
123.11717	41.9
127.03924	9.6
127.11208	43.0
133.06532	2.0
133.10126	8.0
135.08075	2.2
137.09654	2.0
143.08583	1.4
145.04971	12.7
145.06570	1.6
145.10129	3.5
147.08054	2.2
147.11681	3.0
149.09593	4.1
151.11195	30.4
157.10211	2.4
161.09586	3.6
162.31277	1.3
163.11229	1.8
165.09140	3.4
169.10139	1.8
169.10748	1.9
169.12262	33.4
173.09662	2.0
175.11156	2.3
181.05025	1.5
185.13312	1.8
187.13287	6.2
193.12340	1.5
199.11243	1.8
213.12807	3.5
216.26212	1.5
241.12311	2.1
245.10210	4.8
259.13260	1.8
271.15320	2.1
277.14331	4.6
295.15366	13.5
313.16446	18.9
331.17355	6.9
350.22626	1.4
435.22049	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2168
Annotation	9alpha-Fluoro-6alpha-methylprednisolone 21-acetate
Peak:m/z	Relative Intensity
53.03952	3.4
54.80424	0.9
55.01881	12.2
55.05508	3.9
65.03931	2.2
67.05508	7.8
69.03436	3.0
69.07079	2.1
71.55302	1.3
72.30597	0.9
79.05499	12.3
81.03418	10.5
81.07062	6.8
83.04984	3.1
83.08608	1.6
87.04472	2.1
91.05486	27.2
93.07051	10.3
95.01331	1.9
95.04976	12.4
95.08613	4.4
97.06566	1.9
103.05483	3.6
105.07037	15.7
107.04971	7.9
107.08620	5.2
107.38996	1.0
108.05817	1.0
109.06527	5.3
109.10156	3.8
111.08101	1.0
113.06030	1.7
115.03932	7.8
115.04748	1.5
115.05449	10.4
116.06226	1.9
117.07035	18.0
119.04923	2.4
119.08588	85.2
121.06552	5.2
121.10165	4.1
123.08077	1.6
128.06235	5.5
129.07024	14.6
130.07788	3.9
131.04948	2.1
131.08580	15.4
132.05727	1.0
133.06491	4.0
133.07472	0.9
133.10165	9.5
135.08101	3.4
135.11725	1.4
141.07007	2.9
142.07768	6.0
143.08571	12.1
144.05722	1.3
144.09384	1.7
145.06488	23.2
145.10149	14.2
147.08060	46.1
147.09245	2.3
147.11662	2.4
149.09612	7.8
153.07066	1.8
154.07739	1.9
155.08565	6.5
156.09370	5.1
157.06537	2.6
157.10141	21.6
158.07312	1.5
159.08072	32.8
159.11694	19.3
161.05994	1.7
161.09627	13.0
163.07565	4.2
165.07048	3.9
166.07794	2.0
167.08588	2.6
168.09325	3.6
169.10135	16.6
171.08095	4.7
171.11676	13.1
172.08865	2.2
173.06012	7.1
173.09641	19.3
173.13261	5.8
175.07527	6.0
175.11214	2.1
177.09126	2.6
179.08577	3.5
180.09386	1.9
181.10066	4.8
182.10933	1.4
183.08115	4.0
183.11703	16.9
185.09581	8.9
185.13225	6.7
186.10464	1.3
187.07535	2.1
187.11201	10.7
189.09103	4.7
191.08682	1.7
191.10632	1.5
192.09378	2.1
193.10146	4.9
194.10963	2.3
195.08012	2.3
195.11775	4.9
196.08873	2.8
196.12566	1.3
197.09654	8.2
197.13300	3.9
199.07664	1.3
199.11218	8.1
201.09142	6.9
201.12767	9.7
203.08589	1.1
203.10789	1.1
205.10205	1.7
206.10919	3.5
207.11679	6.4
207.13599	1.2
208.12498	1.0
209.09531	4.8
209.13164	5.1
210.10320	1.5
211.11162	11.1
213.09210	2.9
213.12781	2.7
215.08720	1.2
215.10722	3.2
216.09512	1.7
217.10201	2.6
217.12216	1.8
219.11740	3.5
220.12524	2.8
221.09717	1.5
221.13287	5.6
223.11208	5.7
223.14957	2.3
225.12753	4.0
227.10719	4.7
229.10229	1.5
229.12256	9.6
230.10870	2.4
231.11708	3.3
231.13791	2.1
232.12666	1.8
233.09612	1.7
233.13264	2.8
233.15451	2.7
234.10416	1.4
235.11244	3.5
235.14861	2.3
237.12798	4.5
237.16577	1.8
239.10678	2.7
239.14351	1.7
241.12350	2.2
243.11679	2.8
243.13811	6.0
244.12520	1.6
245.09625	1.4
245.11594	1.5
245.15463	2.2
246.10384	1.9
246.14078	2.7
247.11203	3.2
247.14864	4.0
248.12115	1.6
249.12744	3.5
251.10623	2.2
251.14273	2.1
253.12389	1.9
257.11520	1.9
257.13483	3.1
258.10565	1.4
258.13895	2.3
259.11185	2.8
259.13321	1.9
260.12115	1.9
261.12665	3.7
261.14825	5.7
262.13449	1.8
263.14316	3.3
265.15796	2.4
267.11517	1.8
270.14142	1.5
272.12033	1.8
272.15875	1.8
273.12695	3.6
274.13593	2.7
275.14450	5.4
276.15170	1.3
277.12347	1.2
277.15778	1.6
279.13919	1.3
279.17401	1.4
281.13092	1.6
281.15796	1.5
282.14145	1.4
284.12241	1.7
285.12753	5.3
285.16064	2.1
286.13620	3.1
286.17044	1.4
287.14313	4.2
287.17740	2.3
289.16238	2.1
291.13931	1.6
293.15427	1.7
297.16501	1.5
298.13544	1.9
299.14374	5.1
300.15033	3.9
301.15891	3.5
302.16632	1.1
303.13913	1.5
303.17419	1.5
305.15460	1.6
305.18820	1.2
310.13486	1.3
313.12421	1.9
313.15955	3.9
314.16779	2.7
315.14032	1.9
315.17432	14.3
316.18274	1.6
317.15524	3.8
317.18903	1.4
321.15216	1.2
324.15234	1.8
325.16031	3.6
329.15472	1.5
329.19046	7.5
331.17014	2.9
333.14941	1.6
333.18378	6.4
335.16510	2.6
339.17505	3.8
343.16949	9.3
345.18680	1.7
347.16391	1.2
347.20200	6.0
357.18518	14.1
359.16330	1.5
361.18054	9.8
367.18811	1.2
373.17902	2.4
375.19669	13.2
385.18149	5.6
389.21213	10.6
391.19052	4.5
391.23312	1.9
399.19568	1.8
403.19101	16.0
407.22192	5.7
417.20636	22.8
417.31888	1.8
435.21722	100.0
435.26999	5.4
435.32428	4.8
436.21985	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91226	1.2
53.03934	3.9
55.01862	2.0
55.05516	1.8
57.03445	6.5
61.02922	2.3
64.45148	1.0
69.03445	8.1
69.07096	1.0
69.71953	2.6
69.72356	4.7
70.06601	2.5
71.04982	2.7
72.08134	1.2
73.02905	2.6
79.05488	1.2
81.03417	10.3
81.07050	3.9
83.04995	6.8
83.08592	1.3
85.02908	31.7
87.04430	1.2
90.14839	1.1
95.08608	1.8
97.02895	22.6
98.09683	2.6
99.04462	22.2
101.06023	8.4
103.03308	1.8
103.03952	27.1
107.04939	1.2
107.08527	1.3
109.02894	15.2
111.04433	2.8
115.03971	1.0
120.08057	1.8
125.05953	2.8
126.09151	4.0
127.03923	57.1
129.05487	100.0
135.11687	1.2
137.05975	1.7
145.04959	28.4
163.06036	10.2
169.09743	17.5
169.12213	2.9
187.06006	4.4
187.10806	5.8
205.07086	1.3
219.10085	1.8
231.03041	1.8
237.11272	1.4
271.08099	3.1
289.09088	1.3
300.02719	1.1
313.13837	3.2
315.13257	2.3
331.15051	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01866	1.2
55.05513	2.6
57.03445	5.7
61.02928	1.8
67.05522	1.6
69.03429	8.6
69.07077	1.1
70.06593	2.0
71.04983	3.5
71.55286	1.5
73.02927	2.5
73.34094	0.9
75.05875	0.8
79.05505	1.6
81.03426	10.3
81.07054	3.5
83.04995	6.9
85.02908	32.9
85.06551	1.7
87.04469	1.2
91.05453	0.9
93.07050	1.3
95.08555	1.3
95.77140	0.9
97.02891	19.6
99.04465	19.8
99.08067	1.4
101.06013	8.4
103.03307	1.9
103.03950	28.7
105.07124	1.1
107.08619	1.5
109.02888	16.2
109.06534	0.9
111.04447	2.8
120.08117	1.9
126.09170	1.9
127.02971	2.1
127.03925	51.5
129.05487	100.0
129.85553	0.9
135.64243	1.0
145.04973	28.8
153.12755	0.9
163.06017	9.2
169.04967	1.1
169.09744	5.4
169.12221	3.2
181.04965	1.2
185.08130	1.6
187.06024	3.9
201.40033	1.0
219.10175	2.2
231.03191	2.9
250.71213	1.1
255.45409	1.0
271.08102	4.1
273.12778	0.9
313.13986	2.0
315.13364	2.1
435.13376	2.0
435.23785	1.6
439.32458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1263
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
52.30191	0.3
53.03932	0.4
53.46143	0.3
55.01868	0.5
55.05505	0.8
55.70908	0.3
65.03940	0.3
67.05487	1.4
69.03419	0.9
69.07069	1.2
69.49372	0.4
69.69621	1.5
79.05493	0.9
81.03401	1.2
81.07038	1.6
83.05006	0.5
85.02904	1.0
91.05474	1.2
93.07040	1.7
95.04969	1.5
95.08581	1.8
97.02901	0.5
97.06512	1.3
98.20673	0.5
105.03362	0.9
105.07027	0.8
107.08587	1.2
109.06495	0.6
109.10145	0.8
117.07040	0.6
119.08579	1.3
121.06487	0.7
121.10114	0.7
123.08048	1.0
127.00084	0.6
127.03912	0.7
128.06213	0.5
128.74078	0.4
129.06984	0.5
131.08594	1.1
133.06456	0.5
133.10129	1.0
135.11708	0.4
137.15552	0.4
141.07007	0.4
145.06454	0.5
145.10127	1.1
147.08060	1.1
149.09612	0.8
151.11234	0.6
157.10118	0.5
161.03000	0.4
161.09560	0.5
167.07120	0.7
171.11766	0.4
173.09657	0.5
181.04947	1.4
186.06535	0.9
187.07433	0.6
204.44044	0.4
208.05879	0.6
227.05305	2.1
233.08098	0.6
271.04178	2.2
287.16742	0.4
303.05014	0.7
315.15805	0.4
333.16882	0.9
334.09042	0.8
349.12570	3.3
373.12552	1.1
391.13632	30.1
393.19281	0.6
435.12625	100.0
436.12946	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	5.6
55.05518	14.5
57.03423	4.4
59.94009	5.0
59.97642	4.7
67.05510	11.7
69.03432	16.9
69.07061	14.0
69.88725	25.2
71.05000	43.9
79.05489	22.1
81.03445	5.6
81.07066	44.8
83.08619	10.7
85.02904	30.1
87.00845	8.1
91.05492	18.0
93.07037	43.0
93.35439	5.0
95.04976	6.4
95.08608	34.6
97.02890	10.3
97.06534	7.9
99.08073	6.5
105.01907	11.4
105.07051	45.5
107.08600	43.0
109.02880	11.6
109.06561	6.9
109.10161	23.8
119.08595	16.4
121.10152	24.1
123.11723	16.4
125.09651	29.7
127.03933	15.8
127.07512	5.7
127.11237	7.0
131.08556	20.3
133.10144	83.4
135.11739	8.2
137.56566	4.3
143.10670	54.2
145.04965	9.6
145.10135	15.3
147.11711	14.6
149.13281	27.3
151.11212	16.1
159.11739	10.9
161.13258	13.9
163.11223	5.5
167.14328	100.0
169.12294	13.9
201.16470	18.9
216.90648	4.9
219.17470	97.7
237.18527	21.0
262.48749	4.5
270.32047	4.8
304.49631	4.8
342.11969	5.5
399.16229	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0927
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
56.87650	0.4
57.20554	0.5
60.67308	0.4
61.02929	2.0
68.59286	0.5
68.99794	0.9
69.03436	0.6
70.66090	1.3
71.00943	0.4
73.02925	13.4
81.07056	0.7
85.02899	0.9
93.07087	0.5
95.08552	0.5
97.02898	0.6
107.08603	0.5
115.03946	0.8
121.02842	0.6
121.10145	0.8
125.09711	0.5
133.10170	0.9
137.02351	2.8
153.01842	3.8
165.01863	1.4
167.07062	0.8
183.02916	1.2
196.31822	0.5
201.05428	1.5
205.04797	0.4
229.05075	3.7
237.18451	1.2
247.06239	0.6
255.06598	2.4
257.04492	2.5
265.59009	0.5
273.07660	0.8
274.04614	0.5
285.04041	1.4
303.05023	100.0
304.05347	1.2
352.51334	0.5
386.63519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	9.0
55.05727	1.9
57.03391	2.1
57.07052	2.9
61.02910	2.5
67.05489	8.8
69.03405	6.7
69.07044	5.9
69.40958	14.0
71.04994	30.1
73.06539	2.5
79.05489	16.3
81.03405	4.1
81.07060	42.6
83.04961	3.0
83.08620	5.7
85.02905	25.4
85.06522	3.1
91.05471	11.0
91.14375	1.8
93.07064	19.1
95.04958	2.5
95.08602	20.8
97.02877	6.8
97.06515	7.0
97.10162	3.4
99.08096	16.5
105.07037	48.2
107.08584	23.9
108.08131	2.2
109.02896	2.9
109.06502	4.2
109.10161	15.2
110.06014	2.9
111.08050	2.2
117.06976	4.4
119.08590	16.0
121.10138	15.2
123.11704	7.1
125.09631	25.4
127.03919	4.9
127.07570	9.5
127.11172	7.5
131.08589	13.8
133.10138	81.4
135.11713	4.9
137.09581	2.9
139.11124	3.5
143.09616	3.6
143.10680	59.4
145.04924	6.5
145.10126	14.5
147.11699	19.0
149.13283	17.8
151.11197	9.8
159.11728	11.1
161.13260	9.9
163.11174	2.8
167.14319	43.0
169.12222	6.2
201.16396	16.7
219.17444	100.0
237.18492	22.9
250.01718	2.3
264.50711	2.0
274.60443	4.6
444.68195	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	433.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58146	2.7
55.05515	23.5
59.05009	51.3
67.05500	9.8
67.05845	3.0
69.07076	4.8
73.06577	3.1
79.05499	12.7
81.07059	12.2
82.71345	3.1
85.06553	100.0
85.84581	3.0
86.89257	3.4
91.05488	35.1
93.07035	24.7
95.04980	4.5
95.08619	19.4
99.08107	6.2
105.07045	38.1
107.08622	22.9
109.06541	6.8
109.10151	16.7
111.08101	11.9
113.00027	23.8
117.07015	13.9
119.08590	59.3
121.06517	4.9
121.10158	20.1
123.08068	5.0
123.11694	3.6
125.09632	21.5
128.06232	4.7
129.06995	6.8
131.08607	14.7
133.10156	19.8
135.08060	6.9
135.11713	12.4
137.09612	23.8
141.07088	3.9
142.07811	10.5
143.08582	13.3
144.09290	4.5
145.10147	27.2
147.08089	5.1
147.11711	5.4
149.09624	7.9
151.11189	28.7
153.06870	3.4
154.53285	2.8
155.08582	4.9
156.09387	8.0
157.10161	23.3
159.08186	3.3
159.11705	15.6
161.09688	6.6
161.13322	4.7
163.11234	6.4
167.08539	3.3
169.02615	26.4
169.10130	14.9
171.11697	19.0
173.13301	8.3
175.14735	3.7
179.08583	7.1
180.09274	3.4
181.10107	6.9
182.10954	3.6
183.11740	12.3
185.13242	6.8
187.14874	3.5
189.12764	7.7
193.10083	5.7
195.11710	11.0
197.13234	4.8
203.14342	9.9
207.11732	6.6
209.13309	8.6
211.14833	4.9
221.13251	8.4
223.14880	5.9
229.13748	3.2
235.14828	5.6
249.16344	5.7
263.18130	3.5
265.19412	3.7
275.20300	3.3
291.39044	3.0
317.22397	3.3
320.58218	3.5
339.62015	3.2
341.24701	4.7
389.10904	3.1
433.19580	4.1
433.31458	8.3
447.31415	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	433.2435
Annotation	Dictamnoside B
Peak:m/z	Relative Intensity
53.03936	7.6
55.01877	4.9
55.05507	11.3
57.03426	6.2
57.07056	3.7
61.02929	3.7
65.03931	3.3
67.05504	30.0
69.03434	23.6
69.07072	16.1
70.06589	3.3
71.04652	2.2
71.04993	51.2
71.55943	2.5
79.05124	2.6
79.05500	23.0
81.03419	20.8
81.07058	42.6
83.04977	12.2
83.08629	6.1
84.08136	4.3
85.02904	27.4
85.06528	7.1
86.09721	5.0
87.08086	3.1
91.05480	25.5
93.07043	43.7
95.04971	24.9
95.08617	30.4
97.02899	11.6
97.06528	10.6
97.10185	4.3
99.04446	8.2
105.07033	47.3
107.04948	4.8
107.08595	68.7
109.02895	15.7
109.06512	10.7
109.10163	91.8
111.04442	5.4
111.08109	7.5
113.06002	9.4
113.09664	2.3
117.07021	5.8
119.08585	45.0
121.06507	17.8
121.10149	61.3
123.08063	6.6
123.11707	13.2
125.06017	6.6
125.09637	24.1
127.03939	24.5
127.07567	3.8
127.11198	31.4
129.07043	4.7
130.06531	5.6
130.07776	3.1
131.08540	17.8
132.04480	2.7
133.06522	4.5
133.10124	33.1
135.08098	8.3
135.11716	27.5
137.05949	3.0
137.09627	23.1
139.07523	3.2
139.11148	3.1
143.08525	13.4
145.04938	6.8
145.06342	2.5
145.10121	37.5
147.08070	12.2
147.11694	54.5
149.09607	20.1
149.13243	6.9
151.11142	4.1
153.01907	3.3
153.12746	28.4
155.08540	3.6
157.07565	5.8
157.10112	16.1
158.06000	7.2
159.11716	10.5
161.05893	3.2
161.09619	11.7
161.13235	6.2
165.09218	2.8
165.12727	18.5
167.07031	8.8
167.10721	12.8
169.12219	5.4
171.11685	5.6
173.13297	6.6
175.08719	15.1
175.11180	13.7
175.14835	32.8
187.06047	4.1
189.12735	5.8
189.16388	24.5
191.07043	3.3
191.17937	9.7
193.12245	6.3
193.15901	29.0
197.13275	2.7
199.11163	5.8
199.14810	6.8
205.07069	2.7
207.13678	4.1
207.17477	10.6
209.11720	2.8
211.13234	5.0
211.16911	29.9
217.12260	7.5
217.15848	34.1
233.15417	3.2
235.13477	13.7
235.16931	100.0
253.14340	10.7
253.18007	46.8
259.54385	2.5
271.06177	3.5
271.15524	3.1
271.19043	4.8
275.78293	2.7
284.10156	2.8
295.18939	3.2
302.11288	3.1
337.17828	2.6
343.15048	2.7
343.19037	5.3
352.95700	2.4
361.20132	19.1
371.11343	4.2
379.21136	42.4
397.22241	94.4
415.23187	8.5
433.11130	20.5
433.15878	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	433.2349
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03931	3.2
55.05513	10.4
57.03441	9.6
57.07059	3.7
67.05506	50.1
69.03441	1.6
69.07070	11.5
69.27228	12.7
69.27638	3.4
69.30238	1.5
75.04450	1.8
79.05495	32.0
81.07061	55.6
83.04999	2.0
83.08601	4.9
91.05490	17.8
91.90754	1.5
93.07053	40.8
95.04973	3.7
95.08607	51.5
97.10194	3.1
98.98472	66.7
105.07040	14.7
107.08603	27.3
109.10161	21.3
110.59796	1.8
112.91785	1.9
117.07004	6.7
119.08578	16.1
121.10151	21.1
123.11665	8.8
131.08604	11.3
133.10147	10.7
135.08109	2.3
135.11711	13.8
137.09612	2.1
137.13252	3.6
142.07780	2.0
145.10133	13.4
147.11682	10.1
149.09598	2.6
149.13277	11.9
151.14940	2.0
155.01059	7.5
156.15955	1.6
157.10162	3.6
159.11678	11.6
159.69749	1.8
161.13316	7.6
163.14848	7.3
169.63235	1.6
171.11739	2.7
173.02066	13.2
173.13287	8.4
175.14856	3.4
177.16342	3.5
183.11690	2.6
185.13281	2.9
187.14835	5.1
197.13200	2.2
201.16449	2.9
209.13396	2.1
211.55362	1.8
233.22716	2.0
237.16354	1.9
243.21085	16.9
243.54594	1.6
261.22147	46.5
263.74133	1.5
279.23169	3.4
285.00653	1.8
291.23480	2.7
317.24814	7.6
335.25824	100.0
336.26160	2.2
345.22070	4.7
347.78308	1.9
405.31598	2.0
415.22031	2.9
415.29990	3.3
433.19568	2.4
433.25003	3.3
433.30981	24.6
447.46384	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	433.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04844	1.1
53.03944	3.8
55.01867	1.5
55.05500	2.0
57.03435	1.2
57.07076	1.7
59.05011	7.1
67.05496	4.6
69.03439	10.3
69.07070	4.8
71.04996	20.9
71.54623	1.5
72.08164	2.1
79.05498	12.3
79.20391	0.9
81.03423	16.2
81.07063	43.1
83.04985	3.1
84.04507	1.1
85.02910	14.1
85.06548	1.3
85.77484	0.8
86.09708	3.0
87.00836	3.2
91.05464	4.9
93.07043	14.1
93.14758	1.1
95.04969	4.4
95.08616	14.6
97.02883	9.9
97.06535	13.6
98.97594	1.1
99.04453	5.0
105.01858	2.2
105.07038	8.3
107.04951	2.7
107.08602	7.6
109.02887	13.9
109.06516	1.7
109.10167	2.0
110.03676	2.1
111.04414	1.1
115.58454	0.9
119.08595	3.3
121.06505	1.6
121.10148	100.0
123.04464	2.0
123.08058	3.8
123.11717	26.1
125.05990	24.1
125.09634	15.6
127.03922	21.4
131.04936	1.6
131.08531	1.2
137.02411	1.2
137.05997	3.6
137.09622	1.9
139.03894	2.9
139.11177	24.1
145.04974	4.2
147.04543	1.1
149.09634	8.7
151.03856	1.3
153.01866	2.5
153.05469	18.7
154.06268	6.4
159.04291	1.0
161.06003	2.4
167.10678	67.4
170.05783	1.7
175.07510	1.0
177.05510	1.2
179.03392	1.3
181.05017	1.4
185.06602	1.9
185.08144	34.5
185.11723	30.1
187.06082	2.0
194.05675	1.1
207.02782	1.3
209.08090	2.5
235.16914	1.4
239.12788	3.6
257.13940	1.8
269.13818	1.4
271.06033	3.6
283.05826	1.3
286.98190	1.2
287.14890	1.0
293.13696	4.6
299.09100	1.0
301.07016	1.2
311.14954	17.5
315.08557	1.7
327.08649	1.1
329.15964	43.7
369.09946	1.7
371.11432	1.8
371.16446	1.2
373.14185	1.3
387.10828	2.8
397.09125	1.1
415.10333	4.9
433.11325	6.3
433.16644	16.5
433.21719	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	433.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04844	1.1
53.03944	3.8
55.01867	1.5
55.05500	2.0
57.03435	1.2
57.07076	1.7
59.05011	7.1
67.05496	4.6
69.03439	10.3
69.07070	4.8
71.04996	20.9
71.54623	1.5
72.08164	2.1
79.05498	12.3
79.20391	0.9
81.03423	16.2
81.07063	43.1
83.04985	3.1
84.04507	1.1
85.02910	14.1
85.06548	1.3
85.77484	0.8
86.09708	3.0
87.00836	3.2
91.05464	4.9
93.07043	14.1
93.14758	1.1
95.04969	4.4
95.08616	14.6
97.02883	9.9
97.06535	13.6
98.97594	1.1
99.04453	5.0
105.01858	2.2
105.07038	8.3
107.04951	2.7
107.08602	7.6
109.02887	13.9
109.06516	1.7
109.10167	2.0
110.03676	2.1
111.04414	1.1
115.58454	0.9
119.08595	3.3
121.06505	1.6
121.10148	100.0
123.04464	2.0
123.08058	3.8
123.11717	26.1
125.05990	24.1
125.09634	15.6
127.03922	21.4
131.04936	1.6
131.08531	1.2
137.02411	1.2
137.05997	3.6
137.09622	1.9
139.03894	2.9
139.11177	24.1
145.04974	4.2
147.04543	1.1
149.09634	8.7
151.03856	1.3
153.01866	2.5
153.05469	18.7
154.06268	6.4
159.04291	1.0
161.06003	2.4
167.10678	67.4
170.05783	1.7
175.07510	1.0
177.05510	1.2
179.03392	1.3
181.05017	1.4
185.06602	1.9
185.08144	34.5
185.11723	30.1
187.06082	2.0
194.05675	1.1
207.02782	1.3
209.08090	2.5
235.16914	1.4
239.12788	3.6
257.13940	1.8
269.13818	1.4
271.06033	3.6
283.05826	1.3
286.98190	1.2
287.14890	1.0
293.13696	4.6
299.09100	1.0
301.07016	1.2
311.14954	17.5
315.08557	1.7
327.08649	1.1
329.15964	43.7
369.09946	1.7
371.11432	1.8
371.16446	1.2
373.14185	1.3
387.10828	2.8
397.09125	1.1
415.10333	4.9
433.11325	6.3
433.16644	16.5
433.21719	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	433.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
53.63985	1.6
55.01871	3.7
55.05499	3.3
57.03429	2.9
57.07081	2.2
59.04996	7.5
59.78079	1.6
61.02949	2.0
63.90800	1.7
67.05509	7.7
67.05849	1.4
67.95509	1.6
69.03436	18.7
69.07063	7.3
70.06594	5.0
70.34700	2.7
70.35071	5.8
71.05000	25.0
72.08151	4.8
73.02904	1.8
74.09704	4.7
79.05496	17.1
81.03435	17.0
81.07061	45.1
83.05006	5.3
83.08617	3.0
84.04482	1.8
84.08135	6.5
85.02914	24.7
85.06547	10.1
86.09688	3.5
87.00835	4.3
87.04462	1.9
88.05945	1.8
91.01989	1.8
91.05466	8.3
93.07039	21.9
95.04956	5.3
95.08611	18.9
97.02903	16.8
97.06534	15.8
97.10181	1.6
98.21397	2.3
99.04442	9.0
99.08102	2.0
101.06008	1.8
105.01905	3.5
105.07036	10.8
107.04938	2.9
107.08607	15.7
109.02884	20.2
109.06515	5.4
109.10175	7.9
111.04437	3.5
111.08086	5.0
113.06010	3.1
119.04960	1.9
119.08585	5.6
120.08119	3.3
121.02878	4.1
121.06502	2.4
121.10152	100.0
123.04439	2.2
123.08058	7.3
123.11720	29.4
125.05173	2.8
125.06009	30.2
125.09621	19.5
127.03922	17.4
129.01834	1.6
131.04913	1.9
131.08574	3.3
133.10162	3.2
135.08043	2.3
135.11732	2.2
137.05977	3.9
137.09647	1.9
139.11189	24.5
141.09134	2.5
143.08531	2.6
143.10667	1.8
145.05003	5.4
145.10176	4.1
147.08025	2.4
147.11670	2.3
149.09637	13.8
149.13249	5.1
151.07487	2.0
151.11250	2.6
153.01802	2.2
155.10658	1.7
157.10106	3.1
159.02863	2.1
161.05974	1.8
161.09615	1.6
163.14882	1.9
165.01845	8.3
165.09216	1.9
167.07079	6.7
167.09323	3.5
167.10701	67.5
167.12120	3.5
167.14337	7.8
175.07709	1.6
177.12756	2.2
179.03398	2.2
185.08147	6.6
185.11746	49.1
185.15379	7.4
186.12746	1.7
187.05954	2.7
207.03000	2.4
213.05478	1.7
217.15857	3.2
227.16382	7.3
228.10048	1.8
243.11391	2.2
253.18031	1.8
257.13904	2.8
267.06558	4.6
271.06003	5.2
271.10858	2.5
281.08163	2.2
283.06064	39.8
284.06784	6.0
293.13675	3.8
295.06030	5.0
297.07538	3.7
301.07214	1.9
309.07596	7.5
311.11282	4.8
311.14862	15.8
313.07040	33.1
313.10626	2.3
323.08890	8.3
329.12555	1.9
329.15933	46.6
337.06989	17.2
349.07202	3.8
361.06982	3.1
367.08029	10.5
371.11142	3.5
371.16000	2.4
379.08401	8.6
389.12021	1.9
391.16190	2.6
397.09094	10.3
415.10159	8.6
415.19254	2.1
433.10895	12.3
433.15475	3.7
433.20828	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	433.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24817	1.1
53.03934	3.1
55.05511	2.6
57.03424	2.8
57.07058	2.2
59.04994	5.1
64.78592	1.2
67.05502	4.8
69.03430	11.5
69.07065	3.0
69.68513	7.4
70.06586	2.3
71.05003	19.5
72.08154	2.6
79.05509	12.8
81.03426	12.9
81.07066	39.4
83.04964	3.1
84.08150	4.0
85.02924	11.8
85.06549	4.1
86.09729	1.2
91.05479	3.4
93.07058	14.3
95.04971	3.3
95.08606	15.4
97.02900	11.5
97.06517	11.4
99.04460	3.9
105.07049	7.9
107.04922	3.1
107.08595	9.5
109.02870	10.7
109.06501	2.3
109.10155	3.0
111.04472	1.7
111.08098	2.3
113.05997	2.2
119.08566	2.9
121.06494	1.6
121.10152	100.0
123.08050	5.7
123.11707	26.8
125.06006	17.0
125.09638	16.3
126.43546	1.2
127.03924	10.3
129.05470	1.2
131.08588	2.5
135.11691	1.4
137.05949	2.2
137.09595	2.0
137.71718	1.2
139.11191	24.9
145.04906	2.9
147.08063	1.5
147.11673	1.4
149.09615	8.0
149.13397	1.8
153.05592	1.6
153.09238	1.5
159.11644	2.1
165.09100	1.5
167.10689	58.3
167.14357	1.9
185.08229	1.6
185.11736	27.1
185.15381	4.3
187.05908	1.3
217.15770	1.5
227.12808	1.3
228.67068	1.4
235.16943	2.9
239.12839	3.4
253.18053	1.3
257.13916	2.8
271.10794	3.0
275.12967	1.5
278.26828	1.3
287.14447	1.2
293.13751	6.1
311.14883	14.5
318.12299	1.8
329.15948	49.1
330.09888	1.9
415.18942	2.0
433.15695	1.6
433.20886	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	433.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01853	1.0
57.03436	0.6
61.02918	0.9
67.05500	0.9
68.99797	1.1
69.03425	3.3
70.69403	1.1
71.04988	0.6
73.02914	1.0
75.04475	0.4
79.08937	0.4
81.03423	3.6
85.02911	9.1
85.03426	0.5
87.00831	4.6
93.03387	0.5
95.01326	1.7
97.02896	3.7
99.04445	1.8
103.03910	0.5
105.01863	2.5
107.04951	0.4
109.02873	4.7
110.03659	6.7
111.04469	1.3
121.10180	0.4
123.04419	0.7
124.05222	0.5
125.05997	29.1
127.03921	6.6
129.01866	1.0
135.04391	0.5
139.03915	6.1
142.06252	0.6
145.04976	2.7
147.02931	0.9
151.07550	0.5
153.05472	54.4
154.06253	19.9
154.14720	0.4
155.03352	1.3
155.07033	0.7
155.95639	0.4
159.02859	2.4
166.06294	0.9
167.07022	1.7
170.05746	7.1
178.06248	1.9
178.33127	0.4
179.03413	0.8
185.08098	100.0
186.08447	0.6
189.03957	0.6
194.05788	1.4
200.08240	0.4
209.08076	4.6
211.55946	0.4
221.08034	0.4
227.09158	3.3
231.04935	0.8
236.06735	1.5
247.09689	0.7
251.09137	1.0
274.50693	0.4
275.09125	1.5
287.05386	0.6
293.10217	2.4
330.10004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1342
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03939	0.8
55.01861	0.3
59.36625	0.3
61.02908	0.4
65.57697	0.3
67.98371	0.3
69.03432	2.0
69.03752	0.3
69.54523	2.0
70.06625	0.3
71.04986	0.9
73.02934	0.5
75.23553	0.3
79.05495	0.4
81.03428	3.2
81.07048	0.6
83.72321	0.3
85.02428	0.5
85.02901	5.6
86.09721	0.6
97.02883	4.5
99.04458	4.1
103.03942	4.5
109.02867	3.3
121.10143	0.9
125.06000	0.5
127.03914	100.0
145.04955	3.6
153.05434	0.7
163.06024	0.7
167.10637	0.7
169.04985	0.3
185.08122	1.2
187.06021	0.8
271.08243	0.5
276.01910	0.3
329.15930	0.4
374.86703	0.3
398.96371	0.3
433.16348	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	Kaempferol 4'-rhamnoside
Peak:m/z	Relative Intensity
53.03949	0.7
55.01871	1.0
55.05503	1.2
57.03439	4.4
57.07104	0.5
61.02929	0.7
61.49814	0.5
65.39320	0.6
67.05502	1.7
69.03429	3.2
69.07061	2.1
71.04999	27.6
71.55290	0.7
72.08158	1.0
73.02908	0.8
79.05486	1.7
81.03405	2.4
81.07059	3.7
83.04982	1.8
84.04499	0.7
84.08163	3.8
85.02911	31.8
85.06537	1.1
86.03199	0.6
86.06081	0.5
86.09711	2.4
87.04466	0.9
91.05499	3.8
92.05828	0.7
93.07051	3.3
95.04992	1.2
95.08603	3.4
97.02883	2.7
97.06514	1.7
99.04442	2.9
99.08088	1.2
100.07603	0.5
103.03955	2.1
104.04263	0.7
105.07031	2.0
107.04957	0.9
107.08596	3.4
109.02890	2.9
109.06516	1.0
109.10155	2.1
111.00740	0.7
111.04443	0.9
111.08103	1.6
113.06000	1.2
117.07008	0.8
119.08616	1.8
121.02895	2.7
121.06540	0.9
121.10130	3.1
123.11751	1.1
123.70331	0.5
125.05972	1.9
125.09648	1.9
127.03918	5.2
127.07587	0.7
128.04257	1.3
129.05489	6.9
129.06982	0.9
130.06531	1.2
131.08549	1.8
133.02850	0.7
133.10156	1.5
135.08105	0.6
137.05972	1.1
137.09569	0.7
139.07481	1.5
139.11162	1.1
141.09137	0.7
143.10629	0.7
145.04984	2.1
145.10078	0.9
147.04419	1.0
147.06526	0.9
147.11690	1.3
149.06020	0.8
149.09619	1.1
149.13251	1.2
153.01826	4.3
157.06454	0.7
157.07608	0.8
157.10130	0.7
159.09172	0.9
159.11708	1.0
163.06015	0.8
165.01866	1.6
167.07091	1.0
167.10699	2.9
167.14348	2.5
175.14920	1.0
177.05492	1.3
183.02898	0.7
183.11235	0.7
183.13849	0.9
185.11748	4.3
185.15353	2.7
199.14815	1.0
213.05450	1.3
217.15909	1.7
218.84383	0.6
229.09828	0.6
235.16855	2.8
241.05153	0.6
253.14081	0.6
253.17999	0.6
258.05240	1.0
259.02127	0.5
271.06113	1.2
271.09854	0.6
287.05511	100.0
288.06058	0.7
299.05432	0.7
300.10992	0.8
397.09497	0.9
397.18048	2.5
415.19290	1.8
433.20209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
56.96576	0.4
61.02908	0.4
69.03429	1.6
69.07060	0.7
70.06611	1.3
70.94743	0.4
72.08155	1.0
75.82567	0.3
79.05500	0.9
84.04520	0.4
84.08153	0.8
85.02916	3.0
86.09715	1.8
87.04505	0.7
87.08118	0.5
90.72424	0.4
91.05482	0.9
93.07057	1.1
97.02923	1.4
98.97598	1.2
103.05475	5.9
107.04956	2.4
110.97610	0.7
120.08112	100.0
121.08442	1.5
127.01057	0.4
127.03921	1.0
131.04953	3.0
132.08134	0.4
132.53328	0.3
145.04985	0.5
147.06548	0.4
147.07698	0.5
149.05983	2.3
158.99768	0.5
166.08649	57.5
167.08961	0.6
224.12798	0.8
231.05544	0.4
260.07190	0.4
262.45557	0.4
270.13370	1.9
335.17773	0.4
346.11099	0.7
375.09552	0.5
432.14072	0.6
432.19519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1133
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03946	0.8
55.01868	1.0
55.05505	1.5
57.03444	4.5
57.07072	0.4
59.04990	0.4
61.02930	0.6
65.03941	0.3
67.05504	1.6
68.99812	0.6
69.03440	2.5
69.07064	1.7
69.28250	3.1
70.06596	0.8
71.05003	26.6
72.08146	1.2
73.02910	0.7
75.04477	1.0
79.05479	1.6
81.03413	1.3
81.07069	2.6
83.04974	1.5
84.08149	2.2
85.02914	27.5
85.06541	1.0
86.09710	1.5
87.00819	0.8
87.04475	1.0
91.05498	1.8
92.05835	0.4
93.07063	2.0
95.04958	0.6
95.08616	1.9
97.02892	1.7
97.06526	0.8
99.04459	2.3
99.08085	0.4
103.03953	1.6
105.01888	0.7
105.03386	0.4
105.07052	2.0
107.04951	0.7
107.08598	2.0
109.02892	2.1
109.06522	0.7
109.10164	2.3
111.00832	0.6
111.04446	1.2
111.08094	1.8
113.06013	0.6
116.10770	0.4
117.07026	0.7
119.08600	1.2
121.02887	3.8
121.06464	0.4
121.10162	2.5
123.08105	0.6
125.05994	1.7
125.09625	1.5
127.03935	3.8
127.11187	0.4
128.04286	0.5
129.05490	6.6
130.06561	0.7
131.08571	1.0
133.02841	0.5
133.10138	1.0
135.08043	0.6
135.11699	0.6
137.02353	0.5
137.06050	0.9
137.09630	0.7
139.07553	1.0
139.11192	0.8
143.08621	0.4
143.10689	0.5
145.04984	1.4
145.06335	0.4
145.10136	0.8
146.05223	0.5
147.04425	0.5
147.06511	0.7
147.11687	1.6
149.06001	0.5
149.09624	1.0
149.13268	1.2
153.01875	3.2
155.10635	0.4
157.07678	0.5
157.10117	0.4
158.06102	0.4
159.02937	0.5
159.09183	1.0
159.11682	0.6
161.09679	0.4
163.06046	0.6
165.01868	1.9
165.12796	0.7
167.07027	1.0
167.10699	2.0
167.14366	1.8
175.14758	0.4
177.05513	1.6
177.12776	0.5
183.02963	0.9
183.13750	0.9
185.08279	0.5
185.11769	5.0
185.13284	0.6
185.13840	0.4
185.15338	3.1
199.14954	0.4
213.05444	1.3
217.15852	0.8
229.37289	0.4
231.06564	0.6
232.70737	0.3
235.16982	1.4
236.69276	0.3
241.04988	1.4
250.05954	0.4
253.18066	1.0
258.05270	1.2
269.04681	0.4
271.06055	1.9
271.09940	0.7
271.19293	0.4
283.10608	0.4
287.05530	100.0
288.05774	1.4
313.07224	0.4
316.16531	0.4
329.06738	0.9
332.59879	0.4
397.09094	0.8
397.18365	1.3
415.10324	0.5
415.19147	1.6
415.31311	0.5
433.16016	0.7
433.32275	0.6
449.15338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
55.05511	0.6
59.04998	0.3
59.06509	0.3
61.36993	0.3
67.05507	1.2
69.03438	1.3
69.07067	0.7
69.55013	1.6
70.06588	1.0
71.04983	0.5
72.08173	0.6
79.05515	0.7
81.03419	1.3
81.07064	0.7
84.08175	0.5
84.59324	0.3
85.02909	1.5
86.09715	0.9
91.05494	0.8
93.07031	1.6
95.04984	0.5
95.07351	0.7
95.08613	8.1
96.04521	0.4
96.08132	0.4
97.02901	0.9
97.06542	0.7
99.04456	0.5
105.07056	0.7
105.89156	0.3
107.08655	0.4
109.02872	2.5
109.06522	0.3
110.06029	1.5
110.09691	3.4
116.07072	0.6
117.07006	0.5
119.08598	0.9
120.08115	1.3
121.06503	1.3
121.10158	0.5
123.08099	0.9
124.07609	1.4
124.08415	0.4
125.05926	0.3
127.03912	0.7
131.08565	0.7
133.06439	0.3
133.10104	0.3
137.06036	0.4
138.09143	42.3
139.09528	0.4
143.08524	0.5
147.11612	0.3
148.07535	0.3
149.02393	0.5
149.06023	0.6
149.09610	0.7
151.07550	0.9
153.01942	0.3
153.05463	0.4
158.91623	0.3
161.09642	0.5
165.09119	0.6
166.08641	100.0
167.09006	0.5
176.92209	0.3
184.09688	9.8
189.12833	0.3
217.12302	0.5
217.15865	0.5
235.13248	1.7
252.15965	0.4
253.14459	0.5
270.07681	2.6
272.13843	0.3
274.10782	0.7
287.05505	1.4
292.11761	3.3
297.98071	0.3
310.12836	5.3
328.13821	1.6
432.14719	0.3
432.22284	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.6
57.03422	1.6
57.07074	2.4
61.14248	1.1
63.16926	1.0
64.92683	1.2
67.05507	11.5
68.36874	1.0
69.03436	1.5
69.07072	12.8
71.04991	1.8
71.55988	1.0
79.05491	9.3
81.07062	25.8
83.04967	2.3
83.08618	5.3
85.06544	5.6
91.05463	10.9
91.19013	1.2
93.07043	25.5
95.04961	1.7
95.08608	34.3
97.06536	3.2
97.10177	2.5
105.07032	26.3
107.08606	26.8
109.06534	1.2
109.10157	26.1
111.08051	2.0
113.00018	2.3
113.09667	1.0
117.07015	4.4
119.08583	29.5
121.10149	20.5
123.08078	4.2
123.11720	10.2
125.09622	5.1
127.11192	2.2
129.07031	2.9
131.08566	17.2
133.10133	22.1
135.11703	17.5
137.09659	1.7
137.13234	3.2
139.11166	1.7
143.08553	10.2
145.10124	25.0
147.11707	20.3
149.09573	1.5
149.13257	12.2
150.62462	1.1
151.11214	1.3
153.12791	1.3
155.08563	3.9
156.09308	1.5
157.10121	13.1
159.11690	31.6
160.12334	1.0
161.09605	1.5
161.13261	23.8
163.11171	1.2
163.14809	9.0
165.12703	2.0
169.02649	1.2
169.10126	5.5
170.02939	1.2
171.11710	13.3
173.13268	28.1
175.14821	15.0
177.12682	1.8
177.16362	1.4
179.14305	5.2
181.10115	2.3
183.11674	6.9
185.13271	12.0
186.14058	2.7
187.14838	25.7
189.12689	1.6
189.16321	6.2
191.14236	2.4
193.15880	3.7
195.11667	3.1
197.13216	7.6
199.14835	13.7
201.16388	15.3
203.14403	2.7
203.17947	3.2
205.15807	1.6
209.13243	2.8
211.14825	7.1
213.16377	9.6
215.17955	8.9
217.15860	3.4
219.17262	1.4
223.14786	3.7
225.16397	6.6
227.17984	9.2
229.19513	52.3
231.17442	3.5
237.16359	3.1
239.17978	7.1
241.19540	7.9
243.17444	1.7
245.18988	2.7
247.20535	7.9
251.17976	4.1
253.19579	3.9
255.17209	1.3
255.21040	3.3
257.18970	2.1
265.19540	4.6
267.21045	6.4
269.22635	4.2
271.20435	2.0
279.21066	4.6
281.22650	3.5
283.20615	2.8
285.22076	2.7
287.23730	3.0
293.22653	2.8
295.24106	3.3
297.22061	3.8
299.23712	2.1
305.22620	1.5
309.25644	9.6
311.23694	3.9
325.25284	2.3
325.28806	2.7
327.26782	5.9
335.27359	26.5
340.38287	1.1
353.28394	100.0
354.28677	2.2
371.29480	23.8
378.29443	1.2
381.27859	16.0
399.28952	86.6
400.29037	1.2
413.30365	1.1
417.29932	1.3
431.28952	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	431.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.01890	6.5
55.05509	14.4
57.03403	6.0
67.05499	20.9
69.03436	24.8
69.07066	17.4
71.04998	11.1
71.51749	9.3
79.05481	27.8
81.03413	13.9
81.07064	29.5
83.04985	33.8
83.08616	6.7
85.02895	21.1
85.06564	9.3
89.76832	4.8
91.05486	33.5
93.07050	44.0
95.04977	18.1
95.08595	29.1
97.02896	17.1
97.06553	28.3
99.04456	18.5
103.05486	5.0
105.07029	59.7
107.04969	18.8
107.08599	35.0
109.02905	8.5
109.06514	19.1
109.10125	10.2
111.04467	7.4
111.08066	6.4
113.64781	5.9
117.07018	12.5
119.04969	12.1
119.08607	24.9
121.06529	35.6
121.10120	13.7
123.04433	5.6
123.08086	11.7
125.05993	41.8
125.09652	6.3
127.03938	14.5
131.04955	8.7
131.08591	25.4
133.06497	9.9
133.10135	7.7
135.04463	6.1
135.08083	16.5
135.11691	12.2
137.05988	20.3
137.09630	7.0
139.07539	6.2
143.07051	26.7
143.08670	7.5
145.06450	8.9
145.10123	66.6
147.04437	9.8
147.08058	14.9
147.11687	16.3
148.04799	5.0
149.09583	12.7
151.07561	12.5
157.10118	10.9
159.08006	11.7
159.11659	25.9
163.07567	13.4
163.11201	100.0
165.09065	6.2
165.12747	8.3
169.08751	5.9
169.10117	8.4
171.11649	5.5
173.09622	42.5
175.07588	5.6
175.11224	6.0
179.08554	6.1
181.12215	10.5
187.11180	41.6
189.12836	7.1
191.10670	32.5
197.09618	12.3
205.12318	25.8
209.11722	9.1
215.10631	48.2
227.12909	9.9
233.11736	62.9
233.15430	13.3
235.13322	6.2
251.12767	30.3
251.16438	7.2
263.12860	7.8
287.10254	10.0
317.11282	6.5
343.18173	5.2
345.11530	18.2
359.15054	9.6
395.16708	6.3
431.14569	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.7
55.05503	11.5
57.52092	5.7
63.77924	5.3
66.73727	5.4
67.05490	16.9
69.03432	14.3
69.07072	25.0
71.04983	11.5
77.34189	5.3
78.71090	5.4
79.05492	25.2
81.03412	13.6
81.07049	22.0
83.04986	57.7
83.08607	6.4
85.02895	14.1
91.05472	27.5
93.07040	24.8
93.86488	5.1
95.04956	13.8
95.08632	14.4
97.06534	45.4
99.04452	15.7
101.06023	16.1
105.07037	57.7
107.08580	19.3
109.02887	8.9
109.06531	42.7
109.10149	10.8
117.07034	12.5
119.08598	22.0
121.06531	41.8
121.10178	12.4
123.08090	5.3
125.05997	100.0
125.09692	7.1
127.03941	10.5
129.06987	6.9
131.04935	9.8
131.08589	19.5
133.06500	7.8
133.10138	8.4
137.05920	8.5
143.07008	42.9
143.08635	8.2
145.06479	8.6
145.10132	72.8
147.08029	8.2
147.11598	9.3
149.09628	7.7
151.07549	13.7
157.10155	6.6
158.07309	10.5
159.11714	28.1
163.11182	23.6
169.08627	46.0
169.10013	9.9
172.08713	6.7
173.09592	54.8
173.13316	7.5
177.12802	16.6
187.11166	45.4
189.12503	6.5
191.10683	21.4
195.06535	47.4
197.09665	9.2
205.12273	32.9
209.11766	10.0
213.07578	39.4
215.10675	59.9
233.11719	30.5
245.44989	6.3
251.12862	49.0
269.13907	45.5
311.17841	6.0
413.17972	8.9
431.27893	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.7
55.01673	0.9
55.01877	12.1
57.03446	6.4
60.04519	1.3
61.02936	7.0
68.99787	3.9
69.03429	36.3
70.24776	3.8
71.04996	5.5
73.02913	11.3
81.03419	40.0
83.01322	1.0
85.02906	100.0
85.93388	1.0
87.00832	37.6
87.04430	1.0
91.03957	3.2
97.02893	41.5
98.91856	0.9
99.04457	19.6
101.02385	1.0
105.01869	36.6
105.07018	1.6
108.04498	9.1
109.02885	37.6
117.01870	5.7
123.00787	1.0
124.05165	1.3
126.05519	5.8
127.03921	83.0
129.01839	5.4
137.05963	3.1
145.04964	43.1
147.02901	5.1
159.02898	31.2
165.09088	1.7
177.03889	1.9
189.03978	1.1
189.09109	3.3
201.09087	1.1
206.62976	0.9
207.10098	1.4
213.03906	2.5
227.10631	1.4
230.06557	2.1
231.05000	18.1
231.10149	2.0
248.07634	5.6
266.08643	1.2
273.11243	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
55.05508	2.3
57.03419	0.8
57.07070	0.6
62.06089	0.8
63.97053	0.5
67.05504	4.5
69.03417	1.2
69.07073	6.5
70.06587	2.0
71.55301	0.6
72.08154	2.8
81.07059	3.9
84.04517	0.8
84.08142	1.5
85.02905	1.1
85.06580	0.8
86.06070	20.0
86.86829	0.5
91.05479	5.9
93.07057	4.7
95.04942	1.2
95.08613	9.6
96.08141	5.4
97.06523	1.0
98.06064	1.2
98.09708	8.4
99.04449	2.4
101.06047	0.8
105.07024	1.4
107.08616	1.0
108.08118	3.0
109.06503	0.7
109.10178	3.1
110.09662	1.1
114.09192	1.4
116.10741	49.5
117.06940	0.7
119.08575	8.4
121.10161	0.8
122.09648	1.8
123.08009	1.1
124.07619	1.3
126.09221	0.8
133.10146	0.6
134.09625	0.8
135.11740	0.7
137.09615	6.1
142.08664	5.0
145.10121	0.8
147.08057	2.3
159.10117	0.8
163.11179	0.6
165.09140	0.8
181.12354	0.6
212.16478	1.3
220.17046	0.8
238.18117	1.8
245.13896	1.1
247.78593	0.7
254.21167	4.7
256.19016	4.2
280.19064	4.9
292.52103	0.5
298.20145	5.4
316.21198	100.0
317.21622	1.0
368.38751	0.6
412.27011	1.8
430.28308	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	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.17599	0.6
51.70166	0.5
53.03944	0.6
55.05515	4.2
56.03427	0.5
56.77267	0.6
57.07081	19.5
61.47001	0.5
67.05508	4.5
69.07076	4.1
70.79386	1.2
71.08292	0.8
71.08642	9.4
79.05497	1.8
80.08162	0.5
81.07063	7.8
83.04991	0.8
83.08627	3.6
85.10181	4.8
91.05479	2.2
93.07049	2.3
95.08607	5.6
97.10170	2.3
98.12112	0.5
98.20933	0.7
105.07032	2.0
107.08603	5.3
109.06512	0.6
109.10181	6.5
111.04442	1.2
111.11693	0.9
113.35345	0.5
117.07030	0.8
119.08571	2.6
121.06510	1.2
121.10183	3.6
122.07304	1.2
123.08090	0.6
123.11737	1.6
125.06010	0.8
129.07028	0.7
130.07834	0.6
131.08562	1.9
133.10143	1.3
135.08064	5.9
135.11719	2.1
136.08835	0.7
137.05962	0.7
137.09621	9.8
137.13257	1.0
138.35664	0.6
139.07549	2.2
144.09309	0.7
145.10139	2.9
149.09619	12.8
149.13235	0.7
151.07559	1.2
159.08092	1.3
159.11731	2.6
160.08835	1.1
161.84854	0.6
162.06714	0.8
163.07521	1.0
163.11185	18.8
164.08316	1.7
165.09125	100.0
166.09534	0.9
171.11716	0.9
173.09677	2.1
173.13277	2.6
175.07529	1.3
175.11147	5.3
175.73572	0.5
176.08321	1.4
177.09117	10.0
177.12773	1.9
179.10690	1.7
186.10413	1.7
187.11143	2.8
187.14819	0.9
189.09018	1.1
189.12733	2.4
190.09924	1.2
191.10678	10.6
191.14320	0.9
200.12032	0.7
201.12735	3.3
203.10670	2.4
203.14326	1.1
205.12248	11.2
215.14375	2.4
219.13873	6.4
229.15843	1.0
233.15421	2.3
247.17021	1.1
260.51721	0.7
261.18576	0.8
275.20056	1.8
289.21735	1.4
303.23151	1.3
317.24655	1.3
331.26413	2.2
359.29703	1.0
372.79288	0.6
401.34195	2.8
411.36182	2.4
429.37299	61.6
430.37976	4.5
440.98810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.01484	0.7
55.05499	2.1
57.06834	1.1
57.07080	15.6
67.05504	4.0
69.07063	3.8
69.62852	0.7
70.84978	1.5
71.08283	1.0
71.08639	12.9
76.91080	0.6
79.05491	1.6
81.07063	6.3
83.04962	1.1
83.08609	2.7
85.10191	5.2
88.44102	0.6
88.67148	0.7
91.05487	2.6
93.07041	2.0
95.08606	7.1
97.10155	1.7
99.11765	0.7
105.07046	2.2
107.08587	4.7
109.10162	4.7
111.04402	1.3
111.11713	0.8
119.08582	3.0
121.10161	3.8
123.08089	0.7
123.11681	0.8
131.08565	2.3
133.10100	2.3
135.08022	4.3
135.11667	1.4
137.06026	1.1
137.09637	9.2
137.13252	1.1
139.07509	1.9
144.09343	0.8
145.10127	2.6
149.09627	14.6
151.07570	1.4
159.11697	2.6
160.08900	0.9
161.09554	0.8
162.06726	0.9
163.07594	0.7
163.11197	21.6
165.09128	100.0
166.09467	0.8
172.08783	0.8
173.09616	1.7
173.13268	2.6
173.64099	0.8
175.11194	6.7
176.08347	1.2
177.09131	12.4
177.12749	2.2
187.11192	2.7
187.14799	0.6
189.09021	1.0
189.12746	1.9
190.09875	1.8
191.10661	11.2
200.11986	0.9
201.12730	2.6
203.10689	1.6
203.14206	1.1
204.11600	0.9
205.12245	9.6
215.14230	1.8
219.13838	4.8
233.15331	2.2
247.16753	1.3
261.18396	1.0
286.01212	0.7
289.21915	1.7
303.23145	2.4
317.24991	1.0
328.40985	0.7
331.26089	0.7
345.27893	0.8
359.29364	0.9
373.30658	1.0
401.34201	2.8
411.36276	2.8
429.37332	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	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05521	2.2
55.67926	1.0
57.07081	17.5
67.05515	5.5
69.07061	4.8
71.08636	10.4
79.05466	1.7
81.07065	7.6
83.08620	3.1
85.10184	5.9
87.44858	0.9
91.05476	2.3
93.07045	2.9
95.08628	7.9
97.10167	2.8
105.07029	2.6
107.08600	6.1
109.06530	1.2
109.10171	5.6
119.08591	4.6
121.10161	5.0
123.08108	1.6
123.11664	1.2
129.07025	1.2
130.63550	0.9
131.08592	2.2
133.10115	1.6
135.08047	4.6
135.11694	3.3
137.09610	7.3
137.13182	0.9
139.07571	1.7
139.19402	1.0
144.00418	1.0
145.10127	3.6
149.09619	15.9
149.13219	1.3
157.10162	1.1
159.11676	3.1
163.11183	21.2
165.09126	100.0
166.09422	1.6
173.09615	2.7
173.13287	2.0
174.10356	1.9
175.11165	5.0
176.08385	2.1
177.09085	10.7
177.12808	2.0
179.10724	2.3
187.11151	2.6
187.14861	2.5
189.12775	2.3
190.09871	1.4
191.10692	9.6
193.12227	1.2
200.56833	1.0
201.12747	2.3
203.10692	1.6
205.12238	11.4
215.14388	1.3
219.13844	4.9
233.15393	2.4
247.17032	1.6
261.18665	1.3
293.34088	1.2
303.23083	1.1
317.24783	1.5
373.30969	1.5
401.34085	1.9
411.36273	2.7
414.18378	2.2
429.21182	8.8
429.32263	3.0
429.37292	56.3
430.37939	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3365
Annotation	Griffinisterone G
Peak:m/z	Relative Intensity
50.21782	1.9
55.05506	12.1
57.07076	14.0
67.05511	14.0
69.07076	23.5
69.07419	3.2
69.24879	17.6
71.08626	7.4
79.05511	12.4
81.03429	3.3
81.07063	34.1
83.08613	11.6
85.10175	2.5
91.05471	16.2
93.07054	16.6
95.04990	4.7
95.08617	25.8
97.06502	4.3
97.10159	8.7
105.07040	24.8
106.27684	2.0
107.04944	4.3
107.08604	22.1
109.06520	2.5
109.10156	20.7
111.08087	2.5
117.07024	6.1
119.04953	2.3
119.07809	2.5
119.08584	28.3
121.06509	4.5
121.10143	12.4
123.08077	3.1
123.11696	6.1
129.05472	2.1
129.06967	3.3
131.08553	9.0
133.10135	51.4
135.08028	4.6
135.11707	7.3
137.09644	3.1
137.13202	2.9
142.07738	2.4
143.08563	9.7
145.10107	16.3
147.08040	3.4
147.11700	17.9
149.09586	3.9
149.13257	4.4
155.08540	3.8
157.10118	11.4
158.07259	2.2
159.11693	12.6
161.09650	12.7
161.13242	7.6
163.11172	6.4
163.14757	2.6
169.10107	8.6
171.08093	2.5
171.11696	7.2
173.09602	16.4
173.13205	4.8
175.11208	10.2
175.14836	3.9
183.11710	9.1
185.09738	2.8
185.13269	6.3
187.11230	5.2
189.12752	5.2
189.16296	2.4
191.10654	9.6
193.10184	3.2
197.13295	5.3
199.14755	4.6
201.12756	4.0
205.19238	2.3
207.11635	2.4
209.13271	5.6
211.11240	2.7
211.14796	5.3
212.11794	2.3
213.12685	2.5
213.16536	2.7
215.14339	2.7
217.19507	12.4
219.13927	2.3
225.16350	2.8
227.14330	5.0
231.21082	2.8
233.15382	2.8
233.22612	2.4
235.14774	2.9
239.17958	2.7
241.15691	2.4
243.17427	4.4
245.15338	3.3
249.16370	3.9
253.15863	5.5
259.16855	2.8
259.24313	4.7
261.18362	3.7
267.17334	5.5
269.18933	2.7
271.16873	6.6
285.18546	23.9
287.19998	4.3
289.17856	6.9
299.20001	2.4
301.21634	4.5
313.21518	4.6
315.23254	12.3
323.23627	2.9
327.23102	9.4
341.24832	9.9
375.30411	6.0
385.09039	3.3
393.31558	25.3
411.32587	100.0
429.33444	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	429.2999
Annotation	Kuguacin D
Peak:m/z	Relative Intensity
53.03939	4.2
55.05504	7.5
65.03939	2.6
67.05501	18.5
69.07070	11.9
69.47359	5.7
69.47787	8.9
79.05492	20.1
81.07059	41.3
83.08614	3.9
85.06582	1.7
91.05484	34.5
93.07045	45.5
95.04961	5.8
95.08606	45.0
97.06538	3.0
97.10138	2.3
101.15762	2.0
105.07037	72.4
107.08603	49.7
109.06506	3.8
109.10165	29.1
111.08080	46.7
115.05446	2.8
117.07014	17.2
119.08587	56.2
121.10146	41.1
123.11714	8.8
125.09651	5.5
126.00155	2.2
128.06221	5.6
129.07019	8.7
130.07837	5.3
131.08575	74.3
133.06467	2.8
133.10133	50.8
135.08073	2.4
135.11693	20.2
137.09605	4.7
142.07854	2.7
143.08563	17.3
145.10132	100.0
147.08163	2.7
147.11685	42.0
149.09631	8.3
149.13269	49.4
151.07639	2.2
151.11205	3.7
155.08591	6.8
157.10161	16.3
159.08104	5.5
159.11691	34.7
161.09586	7.1
161.13274	28.8
163.11174	5.8
163.14845	11.4
165.09093	3.1
165.12721	4.1
167.08519	2.3
169.10106	7.1
171.08076	3.6
171.11700	9.9
173.09653	4.8
173.13274	17.5
175.11278	5.0
175.14842	22.1
177.09097	8.7
177.16373	25.8
179.10716	4.1
181.10048	3.3
183.11665	9.9
185.13205	11.8
186.14061	2.4
187.14833	24.7
189.09146	4.6
189.16394	36.2
191.10683	18.8
193.12315	3.1
195.11781	4.6
197.13245	15.6
199.14864	12.8
201.16393	18.5
203.10652	5.0
203.17940	14.5
205.12280	17.4
205.15828	15.3
207.13855	4.3
207.17465	21.1
209.11696	3.8
209.13394	3.1
211.14854	8.3
213.16437	10.6
215.17940	5.8
217.15892	3.6
219.13826	3.5
219.17505	10.0
221.19188	2.5
223.13068	3.2
223.14902	6.1
225.16341	4.5
227.17976	4.2
233.19063	4.5
237.16397	6.2
239.17882	3.6
243.13956	5.8
243.17581	2.1
245.15479	2.5
245.19116	3.0
249.18596	3.2
251.17975	3.0
253.19438	3.5
257.15463	5.0
259.16852	2.1
261.14474	2.1
263.17880	2.7
267.21283	2.2
271.16855	4.3
277.19498	2.3
291.21130	2.1
293.22626	14.5
295.24268	3.8
309.22198	9.2
311.23651	8.4
321.22314	2.4
321.25800	3.3
333.25656	12.0
337.21597	3.3
339.23029	3.1
349.25272	3.4
351.26706	16.2
353.24814	9.6
361.25067	4.6
367.26352	5.0
369.27704	3.5
371.25885	5.2
379.26385	21.0
381.27917	9.0
393.27744	14.3
397.27310	14.4
399.28958	19.9
411.28879	51.3
429.30054	36.5
430.30310	2.2
442.19379	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2122
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
53.03943	8.1
55.01865	11.0
55.05513	22.6
57.03445	31.5
61.02931	27.9
65.03944	4.2
65.16335	3.8
67.05507	41.4
69.03446	23.3
69.07060	10.3
70.06602	7.8
71.01360	8.3
71.04984	9.8
71.55359	7.0
73.02908	18.2
79.05502	36.4
81.02982	7.6
81.03423	83.1
81.07060	33.1
83.04975	12.8
83.08652	19.3
85.02910	51.8
86.09702	12.0
87.04494	5.0
91.03947	11.9
91.05467	37.4
93.07050	37.9
95.01309	4.3
95.04975	100.0
95.08591	18.8
97.02892	39.0
97.06582	4.4
97.10165	5.2
99.04467	8.7
101.02367	5.1
103.03944	18.2
103.05455	4.1
105.07047	26.5
107.04981	28.8
107.08618	21.2
109.02863	18.5
109.06515	20.6
109.10152	10.9
111.04465	11.9
111.08080	7.8
111.21889	3.8
113.05903	3.8
115.37962	3.6
117.07001	19.1
119.04924	5.6
119.08594	21.9
121.06528	26.5
121.10130	15.8
123.04449	63.4
123.08049	8.5
127.03894	21.8
129.05528	4.4
129.07014	15.0
129.98302	4.3
131.04927	8.0
131.08577	15.3
133.06476	7.4
133.10124	16.6
135.04477	5.3
135.08066	16.6
135.11719	11.5
137.02356	5.0
137.06007	8.0
137.09624	6.2
138.09131	13.8
139.07449	4.4
141.07002	6.0
143.08556	10.3
145.06462	10.1
145.10098	22.1
147.04401	21.2
147.08047	12.4
147.11705	17.9
149.05925	5.0
149.09648	10.1
151.07515	4.4
153.09143	6.2
157.10127	8.9
159.06583	4.2
159.07988	6.1
159.11755	6.1
161.05978	10.0
161.09602	11.5
161.13266	8.0
163.07565	5.6
163.11200	32.8
165.12764	5.6
169.10107	4.3
171.04343	5.9
171.11662	7.1
173.05983	6.8
173.09631	13.0
175.11240	9.6
177.05298	3.9
181.09746	12.2
189.05557	5.3
189.12740	11.3
191.10649	9.0
193.12262	40.3
199.11287	5.4
201.05510	8.8
205.12186	6.0
207.13797	13.9
211.13220	27.7
217.12212	9.4
231.13852	9.8
235.13310	92.3
244.09569	4.1
249.14880	18.7
253.14331	8.5
259.13300	17.1
267.15848	33.9
273.14871	31.8
277.14465	10.7
285.17035	4.8
289.14297	5.8
301.14444	26.8
309.16980	52.4
319.15234	9.2
337.16467	5.3
348.85202	4.9
375.18152	29.0
381.14374	9.7
393.19092	18.2
411.20029	18.0
429.21432	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2124
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
50.26560	2.9
51.49462	2.5
53.03942	11.1
54.39150	2.6
55.01870	12.2
55.05508	17.9
55.19390	2.9
57.03442	34.9
61.02929	37.8
65.03929	5.3
67.05515	33.4
69.03437	30.7
69.07072	7.6
69.76874	14.0
70.06596	3.2
71.01354	9.7
71.04989	9.8
72.08160	5.8
73.02926	22.2
79.05501	42.2
81.03426	100.0
81.07068	29.7
83.05003	15.5
83.08624	22.1
85.02913	53.5
85.06568	3.6
86.09711	4.5
91.03970	20.8
91.05489	29.9
93.07049	32.5
95.01308	5.9
95.04975	92.5
95.08625	20.3
97.02897	41.7
97.06512	8.0
97.10191	5.0
98.21526	2.9
99.04454	12.2
101.02367	6.9
103.03268	2.7
103.03942	17.5
103.04582	3.4
103.05448	6.5
105.03395	10.2
105.07050	27.4
107.04961	25.4
107.08603	22.5
109.02891	23.6
109.06527	13.0
109.10166	7.6
111.04436	11.1
111.08090	7.9
115.05432	3.7
117.07029	13.2
119.04946	2.9
119.08587	28.0
121.02862	4.3
121.06543	18.4
121.10162	20.8
123.04443	52.5
123.08137	4.2
125.09639	6.5
127.03929	20.2
128.06230	5.2
129.06998	13.2
131.04927	8.4
131.08591	13.8
133.06508	6.8
133.10136	12.3
135.04460	4.1
135.08054	9.3
135.11688	13.0
137.05975	11.6
141.05453	2.9
142.88298	3.0
143.08571	7.8
145.04979	8.0
145.10132	21.5
145.75386	3.3
146.06013	3.7
147.04417	18.4
147.08089	12.1
147.11696	8.7
149.05989	8.7
149.09662	8.1
151.03938	27.1
151.05005	4.9
153.09132	7.6
155.08549	3.7
157.06526	4.9
157.10188	14.4
159.07991	4.6
159.11690	6.7
161.06050	9.1
161.09596	6.4
161.13336	3.8
163.07501	4.0
163.11209	31.0
165.12746	3.9
171.11693	5.5
173.06082	4.0
173.09660	6.6
175.07578	4.0
175.11218	13.3
177.12856	3.3
179.02205	3.1
181.08598	12.3
181.12218	4.1
187.11186	5.5
189.05473	4.8
189.09103	4.0
189.12733	14.7
191.06998	3.7
191.10773	4.2
193.12248	46.8
205.12285	9.2
207.13721	13.7
211.13371	19.3
213.09158	3.3
217.12291	7.9
223.13313	4.3
231.13805	9.9
235.13313	75.0
247.13286	3.7
249.14841	16.5
253.14386	6.6
256.68390	3.1
259.10941	3.3
259.13272	17.2
265.14505	3.9
267.12100	4.8
267.15903	39.0
273.14847	30.1
277.14346	11.1
289.14374	6.2
301.14365	31.5
309.16965	48.2
316.12527	3.2
319.15414	9.1
333.17068	4.6
337.16489	5.3
347.62247	3.2
351.18097	7.0
375.18079	29.4
379.28793	3.3
385.08511	2.7
393.19116	24.1
411.20166	18.7
429.16049	34.2
429.21323	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	429.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22415	1.1
53.03942	4.8
55.01874	4.9
55.05509	3.6
55.58164	1.1
57.03449	6.6
60.51064	1.4
61.02924	3.6
65.03934	1.2
65.23328	1.2
67.05506	3.5
68.99795	2.0
69.03434	26.0
69.07069	2.5
70.06591	4.5
70.93723	2.2
71.01350	1.2
71.04996	4.2
72.08158	2.7
73.02919	5.1
79.05497	4.8
81.03426	25.2
81.07064	9.3
83.04980	4.2
84.08128	1.9
85.02914	46.7
86.09703	5.1
87.00829	15.8
91.03967	1.6
91.05485	10.5
93.07053	12.2
95.04974	20.0
95.08613	4.5
96.79542	1.3
97.02901	18.6
97.06558	2.5
99.04479	9.0
103.03974	2.0
103.05493	1.3
105.01870	12.8
105.07031	10.7
107.04973	3.3
107.08611	11.6
109.02888	22.3
109.06516	3.3
111.04431	1.5
113.06021	1.3
115.03983	1.5
115.05447	1.3
117.01865	2.3
117.07031	2.3
117.09090	1.3
119.08605	7.9
119.09361	1.2
121.02965	1.2
121.06524	4.9
121.10152	15.3
123.04428	1.9
123.08051	1.9
125.06004	4.1
127.03934	38.7
129.01845	2.2
129.07027	2.4
130.07805	3.2
131.08612	3.4
133.06500	1.5
133.10133	4.0
135.08153	3.4
135.11696	6.6
137.05975	4.5
140.10800	1.2
143.08536	2.5
143.78166	1.2
145.04964	15.4
145.10124	15.2
147.02887	3.8
147.04340	2.3
147.08051	4.4
147.11723	1.5
149.05989	1.7
149.09605	1.5
151.11368	1.4
157.10103	1.6
159.02925	13.0
161.09639	2.9
163.11198	100.0
164.07005	2.0
165.09100	2.8
165.12811	1.4
167.07045	4.0
168.88301	1.2
171.11652	1.4
175.11198	3.2
181.12209	7.5
189.03970	1.9
193.12288	2.6
201.05515	21.1
205.12230	6.0
211.13371	1.7
213.03966	2.2
223.13399	7.1
231.04848	7.6
235.13303	1.6
249.14915	1.9
267.15845	2.9
273.18552	1.4
283.08078	2.0
284.66156	1.3
288.74533	1.6
339.57440	1.4
343.09973	13.3
393.15512	1.6
429.13937	8.3
429.21252	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11802	2.0
53.03947	3.1
54.36676	1.9
55.01863	7.0
56.96566	8.0
57.03443	14.0
61.02927	16.9
69.03436	37.9
70.06594	7.9
71.05002	6.6
71.40251	3.5
72.04533	3.3
73.02918	18.7
75.04456	1.9
77.56029	1.8
81.03415	9.0
82.06585	6.4
83.05002	2.6
84.04500	2.9
84.08154	5.1
84.96010	2.9
85.02912	100.0
86.03245	4.2
86.06064	5.9
86.09705	6.5
87.04476	9.5
91.03973	7.7
97.02897	48.3
98.15871	2.3
98.97591	26.0
99.04462	8.1
100.07637	8.5
101.00898	4.7
101.02406	2.8
104.07081	4.4
105.03382	2.9
109.02882	9.2
110.97579	6.5
111.04349	2.3
112.99124	6.5
113.00944	2.7
113.35239	2.1
116.07112	10.7
116.98627	4.7
117.57056	2.0
119.01924	11.2
121.01602	2.3
127.03923	33.8
128.02286	2.6
128.98598	5.1
130.08670	3.6
131.00175	4.6
131.01884	8.5
132.03453	2.8
133.03496	6.0
143.00180	4.2
143.01881	14.4
145.01691	6.3
145.03615	3.7
145.04971	28.1
146.02303	4.0
146.05255	2.6
146.08144	13.8
146.99680	2.5
147.04031	3.7
147.05095	4.6
149.02896	3.6
153.04012	3.2
155.01903	9.4
155.02975	3.0
157.01640	3.5
157.03487	6.9
158.99683	10.4
159.05032	2.9
160.03604	4.0
160.04834	3.1
160.54901	2.2
161.01331	2.7
161.02968	11.4
161.05583	2.5
162.03162	3.1
163.02742	5.8
163.04327	4.6
164.00426	7.5
167.01979	4.9
167.05652	2.9
168.03682	4.4
170.99670	5.8
171.05067	6.6
173.01299	3.6
173.02988	10.2
174.03166	3.4
175.02762	5.0
175.04393	3.3
176.06120	13.4
177.00713	4.8
177.04118	3.3
177.05537	3.5
178.04895	3.0
179.01985	2.2
182.03459	4.3
183.05070	7.3
184.04982	5.1
185.01436	2.8
185.02881	10.4
185.06627	2.3
186.03194	2.4
187.02739	6.9
187.04550	7.4
189.00751	4.3
189.06073	4.6
191.03960	5.2
196.99327	2.1
197.02994	4.4
198.03052	2.6
200.04350	3.1
201.00679	4.5
201.06039	3.8
203.04034	7.5
204.04016	3.0
205.03929	3.6
219.01785	12.2
219.07086	2.4
221.05077	5.9
223.04822	4.7
228.08481	2.7
235.56364	5.0
236.08115	4.5
237.02922	10.4
240.06026	2.3
241.07394	4.4
242.08215	3.2
245.05106	36.6
246.05190	6.7
247.04727	10.6
248.02753	5.0
248.05344	10.3
249.06001	2.6
249.08296	3.5
250.07927	5.7
255.06923	2.6
256.07498	2.6
256.58298	2.8
257.05737	7.1
257.08667	8.5
257.58890	3.2
261.02798	3.1
263.06244	4.5
264.07578	5.9
264.57709	3.6
266.03619	12.9
266.06256	3.3
266.59467	2.4
272.06540	8.3
274.08231	4.8
275.06277	3.0
279.03873	4.0
284.04565	4.6
291.09302	7.8
305.07193	7.2
306.07516	2.9
307.08743	2.4
315.60977	2.7
316.09164	11.2
321.10410	5.1
322.10535	5.0
331.10117	2.3
335.79187	2.2
338.08197	4.8
351.11432	14.1
352.11743	2.7
355.10535	2.4
365.09201	4.8
367.09268	4.6
368.09296	7.7
369.21170	2.5
428.07178	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	427.3573
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
51.23021	2.4
53.03934	3.5
55.05516	16.7
57.07074	22.6
67.05507	13.8
69.07069	26.8
71.08632	21.6
72.25492	2.3
79.05497	9.0
81.07057	35.6
83.08620	13.6
85.10175	12.5
89.06045	2.6
91.05490	11.0
93.07040	16.4
95.04986	2.3
95.08620	19.3
97.10179	12.2
105.07033	20.3
107.08586	15.8
109.10155	18.8
111.08142	2.4
111.11723	4.5
119.08584	16.7
121.06544	3.7
121.10126	7.7
123.11688	7.7
125.00796	2.0
125.09621	2.3
128.06209	2.9
129.07008	9.7
131.08585	16.8
133.10155	14.4
135.11710	4.8
137.09560	2.3
141.07034	6.8
142.07800	7.9
143.08600	19.5
145.10120	20.6
147.08115	2.8
147.11691	9.1
149.13184	2.1
155.08553	25.0
156.09286	5.2
157.10121	45.4
159.11700	17.0
161.09634	3.8
161.13338	3.4
163.11206	3.6
165.07057	3.9
166.07735	2.3
167.08551	6.4
168.09328	6.9
169.10144	30.6
169.29846	2.5
170.10931	2.6
171.11700	19.7
173.09613	4.1
173.13242	8.3
175.11218	8.1
179.08557	6.6
180.09314	6.5
181.10083	14.7
182.10939	11.3
183.11710	32.1
185.13286	17.8
187.14743	3.9
193.10149	4.6
194.10942	6.7
195.11691	22.8
196.12477	10.2
197.13255	40.3
199.14789	11.4
201.12794	20.8
201.16368	3.3
207.11757	4.3
208.12495	4.9
209.13272	26.1
211.14816	59.6
213.12787	6.2
213.16376	13.1
215.14337	32.5
217.15900	3.7
218.61311	2.3
221.13225	5.7
222.13998	5.4
223.14799	12.8
225.16389	8.7
227.14342	15.2
227.17924	7.8
229.15805	20.3
231.17361	2.4
235.14864	3.9
236.15617	3.2
237.16364	31.3
239.14409	3.2
239.18114	4.4
241.15924	5.8
245.15434	9.0
251.17987	13.7
253.19524	6.7
255.17453	51.7
256.36255	2.5
261.12939	2.4
263.17929	3.1
269.19009	13.9
273.18527	20.0
297.21896	2.8
318.81329	2.4
351.30438	2.5
365.31979	9.2
383.33109	4.9
384.74808	2.3
391.33636	32.6
409.34656	100.0
415.23944	2.5
427.35764	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3574
Annotation	HMDB12167
Peak:m/z	Relative Intensity
55.05518	16.0
55.71280	1.0
57.07090	9.3
61.46122	1.0
67.05233	1.3
67.05514	14.0
69.07078	89.2
69.95040	4.4
71.05004	1.1
71.08630	2.4
79.05487	6.3
81.07066	15.8
83.08634	7.4
84.62064	1.0
85.10158	2.4
91.05495	7.8
93.07049	10.5
93.07594	1.6
95.04964	1.2
95.08627	14.1
97.06544	3.2
97.10171	6.2
98.20809	1.6
105.07034	11.0
107.08605	11.1
109.10162	26.8
111.08092	2.5
111.11742	15.6
113.00044	8.1
117.07040	3.9
119.08572	7.8
121.10140	11.6
123.11752	5.4
125.13224	1.0
127.11200	4.3
129.07034	3.5
131.08583	8.3
133.10158	16.9
135.11725	7.6
137.05986	4.9
137.09627	1.7
137.13249	2.0
138.53334	1.0
142.07776	2.1
143.08580	6.2
145.10136	12.7
147.11708	12.9
149.13257	3.5
151.11209	3.8
155.08582	1.7
157.10139	23.8
159.11703	17.5
161.13280	5.3
163.11244	2.5
163.14874	2.2
169.02597	7.8
169.10219	1.9
170.10957	1.2
171.11745	7.7
173.13300	6.7
175.11240	4.5
175.14818	2.6
183.11716	5.1
185.13344	6.2
187.14857	3.9
189.16417	1.6
191.17992	1.5
195.11769	1.3
197.13272	4.4
199.14857	3.3
201.16422	2.3
205.19629	2.1
209.13245	1.7
211.14870	7.5
213.16418	6.9
215.14377	1.1
217.19531	1.8
225.16469	2.7
227.17999	3.7
229.15976	1.1
229.19519	1.4
231.17587	2.2
231.21042	1.4
241.19539	2.8
251.18095	1.2
253.19554	25.5
255.17511	1.7
255.21104	1.1
259.20612	2.4
267.21024	1.2
269.22638	5.2
271.20596	50.0
281.22549	2.2
283.24249	1.4
287.23721	1.4
343.22763	1.0
343.26404	6.8
351.30576	1.5
357.28046	1.3
391.33557	7.0
409.34787	15.3
427.35800	100.0
428.36063	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91687	1.8
53.03940	5.0
55.01866	4.4
57.03435	2.7
61.02906	3.8
67.05521	6.8
69.03437	15.6
69.74767	1.3
69.75261	2.4
69.75665	6.4
70.06596	3.2
71.04980	1.8
79.05466	3.0
81.03420	100.0
81.07035	3.1
83.04978	5.4
85.02903	26.7
86.09704	3.0
87.04459	1.6
91.05486	9.9
93.07039	4.2
94.56017	1.3
95.01316	2.0
95.04980	20.8
95.06055	2.7
97.02895	11.2
97.11081	1.4
97.89977	1.4
99.04433	3.1
103.03954	2.5
103.05498	1.5
105.07027	12.4
107.08591	2.7
109.02884	4.7
109.06532	4.3
113.08104	1.5
115.05412	2.7
116.06232	1.7
117.07018	6.2
119.05001	1.7
119.08596	2.4
120.08139	1.7
120.09976	1.2
121.06502	3.3
123.04433	4.6
123.08084	1.9
124.07576	3.8
125.09609	2.3
127.03896	10.8
128.06216	4.3
129.07028	11.4
130.07768	2.0
131.04927	3.2
131.08580	12.0
133.06490	5.9
133.10129	2.0
135.04393	2.6
136.07562	5.5
137.05998	4.9
141.06978	3.8
142.07820	8.9
143.08543	6.4
145.04977	6.5
145.06480	11.3
145.10097	10.6
149.06009	9.0
151.07559	4.7
152.07100	2.0
153.05466	8.0
153.06926	1.9
155.08589	8.2
157.06474	3.8
157.10164	9.8
158.07339	4.1
159.08055	17.3
159.11719	1.8
161.06003	3.8
163.07578	1.8
164.07016	6.9
165.07002	2.8
167.08531	2.4
171.08063	5.3
173.09630	13.0
175.07471	2.7
175.11133	2.9
179.03418	8.9
179.07062	3.0
183.08078	6.2
185.06009	14.6
185.09589	13.4
187.07526	3.3
187.11156	2.8
191.10583	1.6
199.07603	1.7
201.09108	19.9
203.07040	3.8
203.10722	3.9
211.07455	2.3
213.09186	5.4
229.08588	18.6
231.10164	74.6
247.09665	35.0
265.10693	4.1
383.27823	1.5
391.14667	2.7
427.20160	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	427.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
57.03432	0.3
57.04554	0.4
57.93936	0.1
67.05508	0.2
67.97643	0.1
69.03426	0.5
70.06595	0.3
70.71220	0.4
71.04981	0.2
72.04765	0.1
81.03416	0.4
81.07043	0.3
81.09629	0.2
82.06597	0.2
85.02925	0.9
88.03990	0.2
90.73815	0.1
93.07059	0.2
94.04054	1.1
95.08604	0.2
97.02885	0.3
99.04476	0.1
100.07622	0.1
107.04913	0.1
107.08620	0.3
109.02911	0.3
115.07556	0.2
119.03524	0.2
123.04439	0.8
123.06663	0.9
124.04765	0.4
124.07567	0.3
127.03915	0.6
128.04253	0.2
133.02811	0.2
133.05118	0.3
135.05426	0.2
142.08633	0.1
147.04404	0.1
148.06139	0.4
150.07758	100.0
151.08064	0.5
163.06099	0.2
164.07086	0.2
164.10715	0.2
179.03404	2.6
179.06952	0.2
182.08154	0.2
200.59154	0.2
244.09694	0.2
264.12262	0.4
264.14783	0.2
265.12692	0.8
265.15158	0.3
282.12054	0.9
295.11517	22.8
296.11945	0.2
302.12408	0.3
303.13922	0.2
331.12994	0.3
427.19720	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01863	0.9
55.05510	0.3
57.03427	0.9
61.02905	0.7
61.54049	0.2
67.05502	0.4
68.99784	0.5
69.03439	4.7
69.07077	0.3
69.78651	1.3
70.06593	0.6
71.04983	0.5
72.08153	0.3
73.02903	0.8
79.05481	0.5
81.03423	4.6
81.07065	0.3
84.08153	0.4
85.02432	0.4
85.02913	8.3
87.00841	2.8
87.04446	0.3
88.03990	1.2
89.03901	0.5
91.04005	0.3
91.05508	0.4
93.07037	0.5
95.05015	0.3
95.08551	0.3
97.02903	3.3
97.10149	0.2
98.21421	0.3
99.04449	2.3
103.03935	0.7
105.01876	2.0
105.03384	0.6
105.07034	0.3
108.08088	0.3
109.02893	5.7
117.01854	0.4
117.03397	0.3
119.08566	0.3
123.03575	0.5
123.04447	9.3
123.06811	0.5
124.07603	1.1
127.03933	8.2
129.01866	0.7
133.02858	8.7
133.10298	0.3
135.04405	1.7
137.05933	0.4
145.04990	2.5
147.02887	0.7
150.07709	0.3
151.03920	3.1
159.02887	2.8
161.09592	0.4
163.06096	0.4
164.06973	0.3
164.10732	3.4
174.09189	0.6
176.10725	0.3
177.83850	0.2
178.02654	0.5
179.03407	100.0
180.03693	0.7
185.52962	0.2
188.10764	0.4
189.63713	0.3
202.08717	0.4
204.10239	0.9
216.10225	1.4
231.05029	1.1
244.09737	1.3
247.14552	1.1
264.14648	0.5
265.15421	2.4
286.10721	0.7
302.12897	0.3
303.13403	0.7
304.11880	1.7
331.12888	3.8
341.08359	0.4
355.12567	0.3
391.15033	0.3
409.16058	1.0
427.11768	0.4
427.19907	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	426.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89704	0.5
68.05026	0.8
69.03433	9.5
70.06593	0.5
71.32843	0.8
85.02889	2.0
86.06071	16.5
86.06599	0.8
87.04473	56.8
94.06578	1.3
97.02882	0.7
98.97603	0.8
100.07583	0.9
104.07111	100.0
109.10934	0.5
114.08734	0.5
116.07056	0.8
116.38882	0.5
117.41186	0.5
119.01913	0.9
120.02049	0.7
127.03924	1.0
138.05539	0.8
143.01895	0.9
144.02032	1.1
145.05019	0.5
146.08163	0.7
157.08649	0.7
161.02962	1.1
162.03084	1.3
173.03114	0.6
174.03085	0.9
186.03185	1.9
188.04759	0.5
198.03133	0.5
201.00793	0.5
214.06297	0.5
219.11334	0.6
220.04633	2.1
228.04352	0.7
228.87700	0.5
245.05104	1.7
246.05251	4.0
264.06427	1.4
268.24652	0.5
289.92953	0.5
426.12082	0.6
426.81287	0.5
427.10516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
54.91306	0.5
55.01870	1.6
55.05509	0.5
57.03429	1.1
61.02911	0.8
64.26728	0.5
67.05503	0.6
68.99778	0.5
69.03431	5.5
70.06588	1.1
71.04984	1.0
71.05341	1.2
72.08154	0.8
73.02908	1.2
79.05482	0.9
81.03420	5.2
81.07044	1.1
85.02915	10.1
86.03265	0.7
87.00829	2.5
88.03993	3.9
91.05486	1.3
93.07069	0.8
95.04955	0.6
95.06085	0.9
95.08643	0.5
97.02895	4.4
97.06538	0.6
99.04468	1.9
100.07593	0.6
103.03945	2.2
105.01878	2.5
105.07030	1.2
107.08599	0.5
108.08108	0.6
109.02898	5.6
113.05987	0.5
113.07156	0.5
117.07002	0.5
119.08574	2.1
123.04440	8.6
124.07592	1.8
127.03922	10.8
128.04266	0.9
133.02850	7.7
133.10107	0.9
135.04422	1.4
136.06186	0.9
136.07613	0.9
137.05899	0.5
145.04968	3.0
145.06566	0.5
146.05237	0.6
147.04433	0.6
147.08002	0.6
148.04681	0.7
150.07707	0.5
151.03920	2.6
152.07045	0.5
159.02873	2.6
161.09630	0.8
162.04128	0.7
163.06001	0.8
163.53674	0.5
164.07080	1.4
164.10721	9.4
166.07278	0.9
174.09215	1.2
176.10722	0.6
178.04935	0.7
178.12354	0.6
179.03407	100.0
188.10776	1.2
200.10690	0.5
201.07886	0.6
202.08653	0.5
204.10202	1.8
216.10211	3.5
228.10266	1.1
230.08177	0.8
230.14694	0.6
231.05003	1.6
242.08093	0.6
244.09749	5.5
247.14357	1.6
256.12164	0.6
257.12885	1.5
258.07678	0.6
264.14661	1.1
265.15308	4.2
285.03342	0.6
286.10855	2.7
302.12555	1.3
303.13416	2.4
304.11783	5.5
308.13751	1.0
331.12915	12.9
331.16888	0.7
335.38794	0.5
341.08463	1.5
349.14084	0.8
383.27530	0.8
391.14761	1.1
409.15723	2.2
411.50955	0.5
427.19223	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	426.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01875	2.4
55.05508	3.6
57.03439	1.9
67.01860	1.2
67.05512	5.3
67.72197	1.0
69.03437	7.3
69.07071	58.0
69.32257	0.8
69.54591	5.5
69.98792	0.9
70.06576	0.9
71.04988	2.6
73.02908	1.5
73.06561	12.6
77.98643	0.9
78.37921	1.1
79.05497	8.6
79.53162	0.9
81.03425	14.6
81.07044	2.5
83.08636	1.4
85.02908	8.9
86.06079	1.2
87.00829	2.5
91.05466	0.9
95.06093	3.8
95.08587	1.0
97.02892	17.9
97.06536	23.9
97.10169	3.1
97.34150	0.9
99.04448	4.2
100.07615	1.6
107.08619	1.4
108.04530	0.9
109.02879	19.1
109.10176	5.7
115.07572	20.2
125.05999	45.9
125.09621	2.1
127.03920	19.4
132.04485	1.4
133.10062	1.4
136.06219	1.2
143.07040	100.0
143.10664	6.4
145.04950	3.4
161.08104	62.8
173.11769	2.0
178.05002	40.0
193.13480	2.1
209.12749	1.0
211.13315	3.0
229.14333	11.2
234.08275	0.9
246.51202	0.9
251.09122	3.8
259.40439	0.9
269.10226	24.8
287.11252	30.0
287.14426	1.9
305.12347	7.8
346.47824	0.9
349.13971	1.9
355.12665	1.3
426.10519	1.5
426.15997	2.5
426.21024	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.0
55.01860	1.9
55.05513	6.2
57.03421	3.8
59.04992	3.9
59.86044	1.7
61.02923	4.4
65.70034	1.6
67.05495	4.9
67.19131	1.4
69.03437	15.6
69.07064	2.0
70.06599	3.2
71.05010	7.8
71.55483	3.6
73.02914	3.5
81.03415	18.7
81.07063	3.8
82.44992	1.8
83.04964	2.0
83.08615	3.1
83.27472	1.6
85.02906	69.7
85.06528	4.9
86.09725	2.5
87.00813	1.6
91.03986	1.8
93.07103	2.4
95.05000	2.0
95.06078	9.1
95.08624	3.6
97.02897	33.5
99.04454	38.1
103.03945	76.7
104.04321	2.2
105.07055	2.2
109.02878	24.3
110.03212	2.4
111.04458	1.8
113.06017	4.6
117.05492	5.8
118.05839	2.2
125.09610	3.1
127.03923	100.0
128.04280	4.5
135.63284	1.9
136.07552	1.8
141.05473	7.3
141.09140	1.8
142.05815	3.9
143.10664	12.6
145.04956	76.6
146.05304	1.7
147.04480	1.7
159.06592	2.5
161.11691	2.4
163.06023	48.5
169.05002	2.0
172.43173	1.7
177.07657	2.4
178.04990	12.9
178.08699	2.4
179.03403	5.8
181.08563	3.5
187.06061	4.5
193.13391	3.4
205.07114	2.0
245.64986	2.0
252.20805	2.7
264.08743	12.3
271.08133	9.0
281.46838	1.7
289.09177	8.4
307.10178	9.2
382.26932	3.8
426.16248	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	426.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.9
55.01875	2.0
55.05506	3.7
57.03428	3.4
57.07059	1.5
57.94864	1.4
59.04989	7.1
61.02911	4.3
61.20446	1.5
61.99047	1.7
67.05514	4.4
69.03113	1.8
69.03438	16.1
69.07066	3.2
69.58532	10.7
70.06602	2.3
70.34405	1.5
71.04990	6.5
71.05360	1.5
72.08150	1.6
72.10357	1.5
73.02915	4.4
81.03420	17.2
81.07076	3.3
81.34604	1.5
82.03761	1.6
82.61481	1.4
83.04987	2.3
83.08625	3.4
85.02912	72.8
85.06552	8.7
86.03197	1.5
86.06886	2.9
91.05476	2.8
95.05000	2.7
95.06090	14.8
95.08572	2.9
97.02902	35.5
98.20755	3.2
99.04465	39.7
100.04801	1.7
100.07599	2.6
103.03953	75.6
105.01831	2.2
105.07031	3.1
109.02881	22.8
109.10135	1.7
110.03207	3.3
110.06006	2.0
113.06007	4.4
115.03962	1.9
117.05509	6.4
118.05800	2.3
124.07589	2.1
125.09647	3.7
127.03929	100.0
128.04243	4.1
141.05489	10.2
141.09184	2.5
142.05818	5.3
142.09499	1.7
143.10709	13.4
145.04976	64.3
147.04425	3.0
157.08705	1.8
159.06551	2.7
160.07727	1.9
161.11757	2.3
163.04712	3.3
163.06038	47.6
163.12338	2.6
169.05019	2.6
178.04984	11.1
179.03468	3.8
181.08669	2.1
187.06041	4.3
193.13452	4.0
204.06631	2.2
205.07095	4.1
207.80101	1.4
209.12929	3.5
211.09624	2.5
222.19705	1.7
252.20746	5.4
253.07166	2.2
264.08682	14.5
264.11343	1.8
271.08194	11.6
289.09229	7.8
304.08173	2.3
307.10257	8.2
323.19608	3.2
365.30249	1.4
382.26978	5.9
426.16196	12.2
426.25946	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	0.4
57.03440	0.5
61.02909	0.6
68.05025	0.7
69.03439	8.7
70.06593	0.8
70.55596	0.4
70.59283	0.5
70.59617	0.8
73.02924	0.7
81.07026	0.5
82.06568	0.6
84.08131	0.5
85.02898	2.1
86.06075	18.8
87.04475	55.8
97.02894	1.5
98.97558	2.1
104.07113	100.0
116.98655	0.4
125.05942	0.7
127.03926	1.2
127.08685	0.6
128.07097	2.0
136.07605	0.5
145.04980	0.6
149.05920	0.5
158.99712	0.7
168.05537	0.6
190.04924	0.7
219.01820	1.8
237.02856	1.3
246.73341	0.5
271.15463	0.4
290.18265	0.5
319.06989	1.3
337.08005	0.7
345.10196	0.6
410.78415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1031
Annotation	6-hydroxyindole-3-carboxylic acid 6-O-(6'-malonyl)beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03946	1.0
55.01869	0.5
55.05510	0.5
57.03424	0.8
61.02920	0.5
67.05495	0.8
68.99781	0.3
69.03075	0.2
69.03433	3.7
69.07072	5.3
70.06559	0.3
70.79214	0.2
70.79564	0.4
71.04978	0.6
73.02907	0.5
73.06551	1.4
73.82600	0.2
79.05501	1.1
81.02985	0.3
81.03425	4.3
81.07047	0.6
83.08595	0.3
85.02428	0.3
85.02908	5.0
85.06535	0.3
87.00841	1.7
87.04458	0.2
90.33823	0.2
91.03948	0.2
91.05450	0.2
93.07005	0.2
94.06544	0.2
95.04982	0.3
95.06095	1.0
95.08602	0.3
97.02891	2.7
97.06537	2.2
97.10154	0.3
98.06055	0.2
99.04460	1.6
100.07648	0.5
103.38973	0.2
104.04996	0.7
105.01875	1.0
106.07350	0.2
108.84854	0.2
109.02889	3.9
109.10159	1.0
115.03914	0.2
115.07558	2.0
117.01832	0.4
117.41338	0.2
121.40054	0.2
122.06008	0.4
125.05999	4.4
125.09629	0.4
127.03923	4.8
128.93787	0.2
132.04457	3.9
136.06195	0.3
143.07042	9.0
143.10663	1.5
145.04955	1.4
159.02919	1.4
161.08099	6.0
161.11795	0.3
164.46454	0.2
178.04999	100.0
179.05333	0.5
193.13469	0.3
195.76427	0.2
211.13321	0.8
213.03864	0.2
214.12015	0.2
227.16446	0.3
228.16682	0.3
229.14345	1.8
231.04874	0.6
251.09277	0.2
252.20677	0.6
267.15707	0.2
269.10208	2.2
287.11246	2.9
305.12277	0.7
332.45419	0.2
340.10336	0.9
382.27283	0.4
408.09564	0.3
426.10165	2.6
426.15305	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.54132	1.0
53.24154	1.1
55.05519	10.1
57.07077	4.0
60.78220	1.1
63.70526	1.1
64.45525	1.2
67.05173	1.4
67.05508	16.8
69.07070	18.0
69.29095	2.5
69.29491	9.8
71.08612	1.4
79.05489	11.5
81.07063	40.0
81.86838	1.2
83.08623	13.8
89.06047	2.3
90.80622	1.0
91.05484	8.7
93.07045	24.9
95.08613	56.5
97.10179	3.7
103.05496	1.4
105.07034	22.0
107.08602	41.9
108.50758	1.1
109.10164	46.2
111.11727	3.7
119.08588	19.1
120.05714	1.1
121.10152	100.0
123.08105	2.3
123.11713	35.7
125.13276	1.3
131.08566	4.0
133.07619	1.5
133.10129	21.8
135.11700	29.8
137.13257	14.7
139.11203	2.5
145.10167	6.4
147.11705	15.2
149.13258	23.7
151.14827	2.2
157.10103	1.5
159.11690	9.5
161.13263	12.8
163.14844	10.2
165.12764	2.2
171.11673	3.1
173.13263	8.5
175.14821	13.1
177.16399	19.3
187.14777	6.7
189.16344	7.0
191.17963	8.0
193.15840	1.6
199.14859	2.0
201.16441	4.1
203.17966	5.1
206.79617	1.1
213.16426	1.2
215.18044	7.4
217.19478	5.5
227.17906	2.6
229.19479	7.5
231.21057	10.3
233.22618	1.4
239.14989	1.4
245.19160	1.2
257.22668	3.4
259.24173	1.9
269.22607	3.8
271.24258	3.7
283.24243	3.7
285.25906	3.7
289.25403	2.4
297.25842	1.4
299.27243	1.7
311.27527	1.6
329.28391	2.3
360.87268	1.2
407.36719	32.2
425.37808	51.1
426.38394	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Nervisterol
Peak:m/z	Relative Intensity
55.05273	2.3
55.05515	29.5
57.07080	27.4
67.05503	19.7
69.07071	96.1
69.94677	9.2
69.95045	4.2
71.00206	2.1
71.08610	2.6
78.87287	2.0
79.05497	12.3
81.07061	53.3
81.19228	2.3
83.08624	59.3
85.10154	2.4
91.05502	13.0
93.07054	33.2
95.08609	64.8
97.10189	18.5
103.99952	2.1
105.07030	31.3
107.08601	45.6
109.10165	66.2
111.08076	2.7
111.11728	11.9
117.07030	5.2
119.08591	35.7
121.10152	37.3
123.08036	2.4
123.11713	23.8
129.06985	2.7
131.08600	16.0
133.08659	2.9
133.10138	33.8
135.11696	41.6
137.13261	23.4
139.14896	2.8
143.08582	7.2
145.10129	21.8
147.11696	31.3
149.13234	20.1
151.14801	3.6
157.10152	9.5
159.11693	26.0
161.13274	26.9
163.14833	17.5
165.16425	3.6
171.11688	7.9
173.13284	21.2
175.14845	16.6
177.16454	4.7
183.11734	6.0
185.13264	13.4
187.14856	20.1
189.16394	19.2
191.14293	3.5
191.17995	7.2
192.01344	2.5
197.13269	2.6
199.14809	15.2
200.15590	3.0
201.16368	19.8
203.17972	8.9
207.17255	2.9
211.14905	4.3
213.16426	18.5
215.17963	33.6
217.19603	6.1
225.16492	3.3
227.17995	9.4
229.19408	12.0
239.15036	3.0
239.17827	3.1
241.19690	5.7
243.21059	5.6
247.20578	2.8
254.20267	2.6
255.21071	12.1
257.22577	3.4
259.20697	6.0
259.24249	3.8
267.21036	4.5
269.22641	69.5
271.24142	8.3
273.22220	7.5
283.24292	10.1
285.22198	7.8
285.25702	5.8
287.23712	80.9
295.24280	5.3
297.25803	11.8
301.25336	6.5
308.71536	2.4
313.25281	7.0
314.25867	3.0
315.26868	26.5
325.29095	3.4
407.36737	46.5
425.37842	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03964	2.3
55.05513	14.5
57.07066	9.9
67.05505	27.0
69.07066	27.5
69.34286	18.3
71.08640	3.0
77.03928	2.9
79.05505	16.2
81.07061	64.0
83.08621	17.7
91.05471	17.0
93.07050	38.9
95.08610	100.0
97.10178	7.6
98.20719	4.0
99.46555	2.2
105.07040	34.8
107.08598	76.3
109.10161	71.1
109.10915	2.8
111.08040	2.4
111.11737	2.6
117.07001	4.6
119.07796	3.6
119.08596	45.4
121.10146	98.1
123.11710	50.0
127.54971	2.3
131.08569	9.7
133.10132	31.5
135.11694	43.4
137.13268	26.6
139.11201	2.4
145.10138	15.9
147.11694	28.2
149.13258	37.3
151.14790	6.0
157.10161	3.4
159.11726	18.1
161.13271	22.8
163.14839	14.2
171.11688	2.8
173.13252	16.1
175.14842	21.8
177.16391	23.8
185.13161	2.5
187.14853	14.8
189.16389	18.2
191.14310	2.9
191.17943	26.3
199.14850	7.0
201.16370	10.2
203.18079	11.1
213.16446	2.8
215.18050	11.5
217.19492	15.0
227.17897	4.0
229.19516	23.3
231.21112	17.8
241.19432	3.6
241.92340	2.2
243.21037	2.9
245.18852	2.3
245.22723	2.7
247.20605	3.7
255.21143	2.9
257.22626	6.2
269.22614	2.7
271.24194	5.5
283.24277	3.3
285.25766	4.8
289.25241	2.8
301.25208	3.3
311.15930	2.8
311.27173	2.3
407.36734	37.5
425.37802	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05510	34.1
57.03424	6.9
57.07073	46.1
67.05505	30.1
69.07070	100.0
70.61096	7.7
71.08644	14.4
75.84265	2.5
79.05491	13.8
81.07056	56.2
83.08622	65.4
85.10183	6.0
89.06032	7.9
91.05486	19.2
93.07040	30.0
95.08610	72.2
97.10173	22.0
100.10675	2.5
105.07027	32.1
107.08603	50.0
109.10157	66.3
111.08084	3.5
111.11716	11.0
113.00029	47.1
113.09650	2.5
117.06996	3.1
119.08583	39.9
121.10129	35.3
122.10509	2.4
123.11697	38.4
127.11185	4.3
131.08585	24.9
133.10132	20.2
135.11696	43.5
137.13251	27.6
143.08597	8.9
145.10114	21.2
147.11671	25.1
149.13269	26.4
151.07411	2.8
151.14803	5.9
153.12686	3.1
155.08636	3.2
157.10092	12.6
159.11685	26.9
161.13264	35.2
163.14841	21.0
165.16417	5.0
169.02628	49.7
169.10164	2.8
171.11737	11.4
173.13246	23.0
175.14836	13.2
177.16394	5.3
185.13300	14.9
186.14087	3.9
187.14841	23.5
189.16406	17.4
191.17989	8.9
199.14795	15.7
201.16356	17.5
203.17998	7.6
211.14893	5.0
213.16432	17.4
215.17950	41.3
217.19579	7.6
225.16438	4.9
227.17998	9.3
229.17453	3.3
229.19415	12.8
231.21077	3.0
241.19583	9.4
243.21085	7.2
255.21103	11.3
257.22620	4.0
259.20584	3.5
269.22659	80.0
271.24243	7.8
273.22202	6.1
281.22614	5.9
283.24280	7.1
285.22116	6.3
285.25745	2.8
287.23688	85.9
287.26898	4.8
289.74640	2.6
295.24472	7.0
297.25687	14.4
301.25290	8.0
313.27609	32.6
315.26810	27.3
343.30197	3.6
407.36810	46.3
425.21753	4.1
425.37875	96.7
425.43576	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3782
Annotation	Nervisterol
Peak:m/z	Relative Intensity
53.03960	4.3
55.01883	7.2
55.05513	36.1
57.07085	23.2
58.07593	3.4
60.58311	3.4
61.63065	4.2
62.61077	3.3
67.05505	38.9
69.07077	67.5
69.07451	3.4
71.05006	9.6
71.08650	8.7
71.56571	5.5
79.05498	22.5
81.07063	75.4
83.08624	38.4
85.06554	20.1
85.10213	7.0
89.06046	10.2
91.05479	18.4
93.07050	55.0
95.08617	87.1
95.09163	6.6
97.10194	15.4
105.07037	37.9
107.08603	64.5
109.06496	4.7
109.10155	70.1
111.08116	12.6
111.11735	5.6
113.00030	10.9
117.07046	9.1
119.08601	34.0
121.10146	42.9
123.08087	4.7
123.11728	37.4
125.09637	8.1
127.11184	3.9
131.08569	18.2
133.10141	42.6
135.11732	24.3
137.13242	17.2
139.11229	5.2
143.08571	11.0
144.09326	4.1
145.10138	28.8
147.11697	34.1
149.13266	26.4
151.14845	5.9
157.10118	10.6
159.11662	39.4
159.12608	3.4
161.13264	26.1
163.11223	4.1
163.14827	23.8
165.12805	4.7
169.02658	13.5
171.11746	9.8
173.13235	21.5
175.14848	17.1
177.12846	5.7
177.16397	13.2
179.14287	7.8
183.11739	5.3
185.13264	12.6
187.14882	21.0
189.16388	21.7
191.14436	6.5
191.17986	5.5
192.22748	4.2
197.13387	4.9
199.14896	8.1
201.16377	10.5
203.17998	10.9
205.15924	16.1
207.17442	4.3
211.14864	4.8
215.18021	8.3
217.19475	4.8
219.17490	8.4
227.17998	4.0
229.19566	9.6
239.14883	4.2
240.15529	4.4
241.19534	5.4
244.10947	3.9
245.19054	7.8
247.20651	6.0
255.21170	4.6
261.22089	4.3
273.22382	5.4
275.23859	4.4
287.23611	4.6
289.25494	4.2
295.24438	3.9
297.25833	4.9
311.27362	15.0
313.27609	18.5
315.26901	10.8
381.35043	3.8
407.32544	7.2
407.37091	12.4
425.21902	7.8
425.33295	16.4
425.38446	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05512	9.6
55.99364	1.8
57.07067	5.5
67.05179	2.3
67.05512	28.6
68.67754	1.9
69.07076	20.6
70.10947	8.6
79.05496	7.5
81.07062	46.0
83.08623	7.7
91.05486	10.1
93.07059	25.1
94.63586	2.0
95.08612	61.0
97.10134	2.6
98.20818	3.5
102.44250	1.8
105.07046	27.8
107.08601	45.4
109.10164	62.9
111.08064	2.6
111.11727	3.2
114.14696	2.0
117.07018	2.7
119.08591	32.7
121.10149	37.1
123.11712	46.2
130.98596	2.1
131.08601	3.7
133.09212	3.1
133.10147	26.1
135.11696	35.8
137.13272	7.5
140.79469	2.0
145.10129	8.8
147.11691	29.0
149.13266	20.1
151.14842	3.0
157.10149	2.6
159.11668	9.2
161.13278	22.2
163.14824	11.4
171.11731	2.4
173.13277	6.1
175.14867	8.9
177.16391	6.1
179.14299	3.0
187.14828	6.5
189.16403	15.1
191.17960	7.8
201.16412	4.3
203.17992	19.0
205.19600	5.1
207.17387	14.8
213.16467	2.3
215.18039	5.3
216.23015	1.9
217.19514	24.4
229.19542	6.4
231.21165	3.3
243.21043	5.9
245.22595	3.3
255.21213	3.2
257.22699	5.7
259.24194	2.5
261.22141	4.7
269.22684	4.4
271.24216	13.7
273.22162	3.0
273.25769	4.6
283.24207	4.2
285.25748	8.5
287.23553	2.2
297.25647	2.1
301.25485	2.2
325.29266	2.5
407.36713	24.6
425.37793	100.0
449.58362	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03942	1.6
55.05515	11.9
57.07086	7.7
67.05177	1.7
67.05510	25.4
69.06725	2.0
69.07077	26.7
70.59766	2.5
71.04985	1.4
71.08662	2.7
79.05494	14.1
81.07063	57.4
82.33946	1.3
83.08619	12.2
85.06559	1.5
91.05489	12.1
93.06477	1.8
93.07053	31.8
93.17093	1.2
95.04922	1.4
95.08617	86.8
97.06550	2.1
97.10178	5.2
105.07044	31.9
107.08607	54.2
109.06489	1.6
109.10167	78.4
110.10539	1.3
111.08092	1.9
111.11723	3.2
113.00041	3.4
117.07018	3.9
119.08597	38.2
121.10159	44.8
121.11034	2.1
123.11720	52.3
131.08549	5.7
133.10149	33.1
135.11707	46.7
136.26694	1.3
137.13249	12.0
139.11200	1.6
143.08472	2.7
145.10133	10.1
147.11705	34.8
149.13275	23.6
151.14812	4.1
157.10135	2.3
159.11720	14.2
161.13275	27.5
163.14859	17.9
169.02596	3.1
171.11743	4.1
173.13254	12.2
175.14827	12.8
177.16400	4.9
179.14346	2.5
179.17760	1.4
185.13263	2.7
187.14832	9.4
189.16403	18.3
191.17937	10.5
199.14839	4.8
201.16447	8.1
203.17966	24.2
205.19577	4.1
207.17438	11.4
213.16432	2.8
215.17961	9.3
217.19553	20.5
221.18918	1.7
227.17967	2.8
229.19519	7.1
231.21143	3.7
241.19539	2.6
243.21144	7.2
245.22748	4.2
247.20609	2.6
255.21034	3.9
257.22800	7.4
259.24316	2.1
261.22195	5.5
269.22668	4.3
271.24228	13.3
273.22260	2.7
273.25735	5.0
283.24225	4.6
285.25726	10.2
287.23761	2.1
297.25851	3.8
313.27411	6.5
315.26581	1.5
337.28806	2.1
353.32394	1.4
369.31400	1.7
407.36792	28.6
425.37817	100.0
426.38156	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3414
Annotation	Koelpinin C
Peak:m/z	Relative Intensity
53.03933	1.9
55.01881	8.0
55.05513	20.0
57.07077	5.3
58.93434	1.0
65.03925	2.9
67.05505	33.3
69.03417	3.4
69.07067	18.7
69.41427	4.5
69.41837	3.3
71.04986	1.6
71.08626	1.5
79.05493	15.1
81.03426	5.7
81.06578	2.2
81.07060	36.5
83.04971	3.7
83.08617	13.5
85.06548	1.3
86.76659	1.1
87.08089	1.2
91.05479	22.1
93.07049	21.6
95.04971	17.1
95.08612	32.3
95.09225	1.6
97.06545	8.8
97.10162	13.2
103.05435	2.2
105.07037	31.1
107.04963	3.5
107.08592	27.0
109.06522	5.0
109.10158	82.7
111.08072	3.7
111.11701	2.2
115.05441	3.6
116.06252	1.3
117.07011	12.7
119.04963	1.6
119.08585	44.0
121.06508	2.5
121.10148	23.9
123.08090	2.9
123.11707	8.5
125.09664	6.6
128.06229	2.8
129.07014	13.8
130.07787	1.5
131.08571	23.0
133.06482	2.1
133.10133	35.2
135.08043	3.7
135.11700	13.8
137.09625	2.4
137.13272	18.6
141.07018	3.8
142.07787	6.7
143.08560	18.9
144.09320	2.7
145.06497	6.2
145.10126	29.9
145.11282	1.4
147.08046	37.5
147.09224	1.9
147.11674	19.4
148.12120	1.2
149.09622	12.6
149.13281	7.1
151.11183	4.6
151.14799	3.2
153.07004	1.1
153.12730	1.8
154.07753	1.3
155.08586	7.9
156.09380	3.9
157.10135	51.4
159.08057	9.9
159.11697	45.0
161.09619	19.4
161.13254	9.8
163.07570	9.4
163.11185	4.3
163.14801	2.3
165.06999	1.4
165.09039	1.2
167.08566	1.8
168.09322	2.6
169.10144	9.5
170.10922	1.7
171.08102	2.4
171.11699	23.5
173.09621	6.5
173.13254	13.5
175.07553	3.2
175.11189	7.5
175.14827	5.4
177.09102	1.4
177.12738	1.7
177.16393	1.6
179.08540	1.0
179.14243	1.4
180.09264	2.0
181.10126	4.7
182.10944	2.4
183.11693	25.3
183.13229	2.0
185.09599	2.4
185.13272	11.6
187.07593	1.6
187.11227	6.1
187.14792	5.7
189.09157	1.4
189.12914	1.4
189.16409	2.7
191.10733	1.4
193.10066	2.2
194.10909	1.7
195.08086	1.3
195.11731	3.5
196.12447	2.6
197.09531	2.1
197.13287	9.8
199.11189	2.6
199.14864	5.8
201.12779	9.4
201.16385	4.7
203.17946	4.0
205.12129	1.6
206.10866	2.4
207.11783	2.7
209.09586	1.2
209.13272	4.7
210.13899	1.3
211.11212	4.4
211.14825	11.6
213.12929	1.3
213.16411	17.4
215.10593	1.2
215.14415	1.5
215.18018	3.4
217.10193	1.3
217.12192	2.1
219.11668	1.3
219.13805	1.5
221.09702	1.6
221.13327	3.8
221.18953	1.4
223.11176	3.3
223.14821	3.7
225.12755	2.0
225.16440	4.2
227.17923	4.7
229.12279	4.1
229.15898	2.1
229.19556	2.2
231.11653	1.8
231.13847	2.5
231.17447	3.8
233.11540	1.8
233.15451	1.9
235.11185	2.4
235.14874	1.7
236.11942	1.5
237.12791	3.6
237.16338	2.3
239.14391	2.7
239.17961	3.4
241.12177	1.5
243.13850	2.2
243.17657	1.5
245.13309	1.4
249.12747	3.4
251.14287	3.0
251.17978	2.5
253.15764	1.5
253.16809	1.9
253.19518	25.1
255.13643	1.1
255.17432	1.6
257.19101	2.6
261.14835	2.7
263.14328	2.6
265.19733	1.2
267.21075	2.1
269.22672	5.3
271.20563	43.3
273.12686	1.2
275.14282	1.4
281.22662	3.3
283.24237	1.8
287.23685	3.4
289.15924	1.9
291.20969	1.3
299.23953	1.1
309.22336	1.7
311.16580	1.7
314.16556	1.7
315.17419	4.5
323.28015	1.2
325.25381	1.6
327.23175	1.8
329.18951	3.2
329.24554	4.9
333.18588	4.1
339.26889	2.4
341.24698	1.3
347.20035	3.1
347.27313	1.6
351.26721	1.2
352.88400	1.2
357.18564	3.4
365.28381	10.1
367.29843	1.5
375.19595	7.2
389.21140	6.8
389.31989	5.7
393.20193	1.1
407.22092	18.1
407.33038	28.1
408.33597	1.2
425.23303	18.0
425.34131	100.0
426.23764	1.3
426.34244	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	425.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29863	1.6
53.03939	3.8
55.01880	23.2
55.05506	5.1
65.03956	2.4
67.05505	8.8
69.03426	5.4
69.07066	4.9
69.23687	3.9
69.24083	14.2
79.05495	20.1
81.03418	23.0
81.07052	13.1
83.04971	4.9
91.05487	37.3
93.07060	13.4
95.01346	2.4
95.04976	38.5
95.08616	8.3
95.09174	1.6
97.06535	13.2
103.05455	3.9
105.04528	1.8
105.07027	31.3
107.04963	13.5
107.08597	14.1
109.06522	7.3
109.10144	4.7
111.04469	1.7
115.05467	8.8
116.06263	2.8
117.07036	25.3
119.04945	8.3
119.08588	87.8
121.06550	8.4
121.10131	7.1
123.08074	3.0
128.06219	7.1
129.07007	27.3
129.15395	1.8
131.04945	1.9
131.08578	24.9
133.06499	9.2
133.10146	42.7
135.08058	9.7
141.06995	5.0
142.07745	6.6
143.08578	15.0
144.09338	4.1
145.06490	22.2
145.10144	25.9
146.07314	2.8
147.08057	100.0
147.11691	4.1
149.09627	90.1
153.07019	2.7
154.07841	2.2
155.08578	11.4
156.09398	9.9
157.10139	55.9
158.10887	2.9
159.08078	25.3
159.11708	53.6
161.06004	2.8
161.09633	84.3
161.13235	3.0
163.07550	27.5
163.11159	2.3
165.07039	3.8
165.09143	1.6
167.08560	4.8
167.10730	1.8
168.09348	5.5
169.10162	16.9
170.10832	4.7
171.08060	3.5
171.11696	37.3
172.08922	2.5
173.06082	2.0
173.09644	22.0
173.13284	16.3
175.07582	17.3
175.11209	5.4
177.09122	4.7
179.08543	4.0
179.10695	1.9
181.10139	6.8
183.08191	3.5
183.11696	49.8
185.09639	6.9
185.13255	15.2
186.10364	2.7
187.07553	3.9
187.11198	15.2
189.09129	4.0
189.12805	3.0
191.08942	1.9
191.10605	9.9
193.10139	6.6
193.12161	3.1
194.10912	3.6
195.08060	3.6
195.11728	7.9
197.09622	9.5
197.13290	10.0
199.11131	9.0
201.09155	3.4
201.12749	17.8
203.10757	2.2
205.10217	2.5
205.12181	2.2
206.10930	3.1
207.11760	9.3
208.12442	4.6
209.09637	5.2
209.13264	5.5
210.10312	2.6
211.11160	8.2
211.14854	4.3
213.12778	3.9
215.10623	8.8
217.10368	3.6
217.12309	11.3
219.11708	4.6
219.13846	4.0
221.09711	3.5
221.13242	9.3
222.10237	2.0
223.11160	8.5
223.14891	5.2
225.12726	18.4
226.13422	2.2
227.10561	3.2
229.12285	12.8
230.11082	2.2
231.11758	3.7
231.13867	5.4
232.12593	3.4
233.09625	2.9
233.11746	5.9
233.15237	10.3
235.11226	8.7
235.14780	3.6
236.11954	2.6
237.12790	10.8
237.16399	5.4
239.10664	1.9
239.14310	6.7
241.12309	3.5
243.13812	9.3
245.13214	4.5
247.11232	3.7
247.13205	2.5
247.15198	2.4
249.12732	7.8
249.14912	2.8
250.13509	6.1
251.14450	10.7
253.15845	3.2
257.13174	2.3
259.11288	4.4
259.14923	3.1
261.12570	3.6
261.14993	6.1
263.14297	7.3
265.12231	2.3
265.15884	4.1
271.14935	2.3
272.15552	2.6
273.12784	5.4
273.16174	1.6
275.14377	4.6
276.15222	2.9
279.13666	2.7
281.15594	2.1
285.12823	3.7
287.14352	3.3
289.15964	4.3
291.17261	2.4
293.15335	2.5
297.14792	2.3
299.14133	3.9
300.15128	3.9
301.16052	2.9
303.17389	2.2
305.19009	5.2
310.15762	3.4
311.16574	6.1
314.16629	3.9
315.17334	12.6
323.16299	1.9
329.19003	12.9
333.18442	12.3
347.19968	19.2
348.19675	2.1
357.18506	11.7
365.21280	3.4
375.19516	25.6
378.20062	1.9
379.22766	4.5
381.20596	2.3
389.21036	15.8
393.00116	1.8
393.20566	9.1
395.21927	2.1
407.22195	56.3
425.23236	68.0
426.23010	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	425.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.1
55.01874	2.8
55.05503	8.9
57.03437	4.4
59.04997	4.0
61.02924	3.2
63.84984	1.8
63.92511	2.0
67.05497	9.1
69.03438	16.1
69.07061	3.9
69.21095	20.0
70.06590	16.7
71.05004	14.5
73.02927	3.6
79.05488	4.0
81.03424	21.5
81.07052	9.1
83.04971	2.6
83.08621	12.3
85.02912	66.8
85.06531	4.3
86.09702	3.8
87.00815	1.9
91.05491	4.1
93.07063	3.3
95.04996	2.5
95.08625	10.5
97.02908	19.6
97.06523	3.2
98.20633	2.2
99.04465	44.8
100.07605	2.0
101.09651	7.3
103.03951	84.8
104.86486	1.9
105.07049	4.7
107.08572	3.8
109.02891	21.3
109.10214	3.3
111.04466	1.9
113.06022	14.5
114.06313	5.0
119.08594	3.3
120.08117	3.2
121.10197	5.0
123.08093	2.0
123.11749	4.2
127.03932	100.0
128.04201	2.5
135.11667	3.3
136.07593	2.9
141.05476	7.8
141.09102	3.9
142.05811	3.5
145.04979	48.6
159.06522	4.7
160.07607	6.3
163.06027	32.5
167.72702	2.0
170.32387	2.0
176.67046	2.1
177.05475	4.0
178.08618	7.8
187.06061	13.9
191.14447	2.2
191.17902	2.6
205.07080	5.1
210.15761	3.4
227.16470	2.4
227.20103	8.0
228.16808	5.8
236.94873	1.8
245.09988	2.6
271.08115	6.4
285.09680	3.6
286.10059	9.2
287.14877	7.2
289.09250	5.3
291.77832	2.4
307.10266	5.4
310.21216	2.4
315.88876	2.0
425.15454	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	425.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.01875	2.6
55.05514	10.5
57.03428	4.7
57.08372	1.7
59.04991	3.0
61.02895	2.7
67.05505	5.9
68.17721	2.1
69.03426	20.9
69.07067	5.6
69.80722	11.0
70.06586	15.2
71.04994	15.8
72.05331	4.7
72.08152	3.2
73.02934	3.6
73.78089	2.1
79.05493	4.1
81.03426	19.0
81.07067	12.3
83.04990	2.6
83.08619	15.5
85.02906	68.7
85.06542	4.0
86.09708	4.8
89.83506	1.9
91.05462	2.3
93.07030	6.2
95.04979	3.3
95.08594	8.2
95.23730	1.8
97.02895	23.5
98.21517	2.3
99.04451	43.3
99.08110	3.7
101.09650	5.7
103.03947	75.6
105.07047	2.0
106.95867	1.7
107.08596	5.0
109.02882	22.9
109.10187	3.5
110.03205	2.9
113.06032	11.7
114.06328	5.9
116.07093	3.4
117.07033	2.1
119.08594	3.9
119.10680	2.4
121.10198	4.9
123.04387	2.7
123.08100	2.0
123.11710	5.9
124.07578	2.2
127.03918	100.0
128.04243	2.0
131.08568	4.0
132.08104	5.1
141.05428	9.3
141.09090	2.7
141.12714	2.3
142.05760	2.8
145.04967	45.3
145.10138	2.0
147.04361	1.8
147.09235	2.2
159.06543	4.1
159.08121	2.1
159.10263	2.5
159.13716	2.2
160.07657	11.7
163.06029	30.8
169.13385	7.8
177.05486	4.7
178.08630	10.8
187.06093	8.9
191.17891	2.4
197.12875	5.2
205.07184	3.8
209.15373	2.6
209.18971	2.7
210.15613	2.5
227.16373	3.6
227.20056	10.1
228.13229	2.2
228.16788	4.1
229.15660	2.0
251.37238	1.8
271.08167	7.5
285.09637	2.5
286.10034	9.2
287.14883	6.6
289.09174	5.2
307.10245	5.3
310.21259	3.3
425.14020	2.9
425.27304	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	425.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76671	0.7
56.96559	2.1
69.03428	1.8
69.44692	2.3
69.45116	3.0
70.06557	0.8
70.98127	0.9
70.99855	1.1
72.95985	0.7
79.23562	0.7
81.03412	0.9
82.99863	2.3
85.02921	3.4
87.04456	1.0
94.99895	0.9
95.19767	0.8
97.02883	2.8
98.97595	7.0
101.00280	1.1
101.00895	19.4
104.07111	1.5
106.69427	0.8
109.02892	1.2
110.97600	1.8
113.00900	4.3
116.98615	1.8
119.01932	14.4
124.99129	0.9
127.02398	4.1
127.03930	1.2
128.98663	2.0
131.01918	6.8
133.03438	0.7
137.06012	1.1
139.02400	1.8
143.00191	1.8
143.01906	38.1
145.03482	7.0
146.08105	1.9
146.21172	0.7
147.01381	1.0
155.01903	17.1
156.98091	0.8
157.03484	5.8
158.99651	1.8
161.02972	37.2
167.01926	11.4
169.03444	3.6
171.05069	2.3
172.97554	1.2
173.01585	1.3
173.02982	15.2
175.04590	1.7
177.00772	1.1
179.01892	5.7
183.05096	0.8
184.04501	1.0
185.02963	32.5
185.06583	1.1
187.04552	3.2
189.00807	1.3
189.02507	0.9
189.04292	1.1
191.02390	0.9
191.04002	3.9
197.02956	11.3
201.00774	0.9
203.02199	1.7
203.04013	14.9
208.04665	1.1
215.04005	7.0
217.00299	1.0
219.01756	2.5
221.02972	1.1
221.05072	1.6
227.04015	9.4
233.05135	0.9
237.02766	1.7
239.04128	1.7
240.41013	0.7
244.05032	1.0
245.05096	100.0
246.05293	1.9
257.05099	6.5
263.06171	25.4
263.57642	1.3
275.06128	13.7
279.04028	1.1
281.01724	1.6
291.09442	0.9
293.07376	3.4
305.01801	1.9
305.07190	10.9
306.07245	0.8
321.10330	1.9
323.02863	2.3
323.06412	0.8
335.08441	4.5
365.09647	7.7
383.08246	1.6
425.06723	3.3
425.11813	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	425.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97369	2.1
56.96579	2.8
64.90902	2.6
69.03424	8.5
69.61319	5.0
69.61732	10.2
70.06585	4.0
78.76593	2.4
82.97952	2.7
85.02905	10.1
95.01297	4.7
97.02875	4.3
98.97572	10.3
101.00897	15.4
110.97577	3.9
113.00820	3.5
116.07111	5.4
116.61140	2.7
119.01917	14.4
121.96993	2.9
125.05968	4.1
127.02438	3.2
130.04994	3.6
131.01904	7.5
137.00845	2.8
137.05946	3.5
143.01927	36.4
145.03535	5.6
153.05421	3.1
155.01926	15.6
157.03445	5.1
158.99680	3.1
161.02985	30.4
163.03915	4.8
167.01939	12.3
169.03496	5.1
172.97191	2.7
173.02919	19.2
177.05367	2.7
179.01894	3.8
185.02971	28.6
187.04552	3.9
189.05925	2.8
197.02998	12.7
203.04056	16.5
205.24280	2.9
209.03012	3.0
211.02106	4.2
215.03993	8.3
221.03021	3.3
227.04066	6.4
239.04065	4.5
245.05099	100.0
257.05139	8.4
263.06171	22.6
269.03326	3.1
275.06293	13.2
305.07379	13.3
365.06561	4.5
365.09424	4.4
383.08252	5.2
425.05688	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	424.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	0.4
55.05450	1.1
59.43739	0.2
62.06047	0.5
67.05439	3.5
68.05794	0.6
69.06996	1.4
69.78017	0.5
69.78419	1.4
71.04969	0.3
71.08563	4.4
72.08081	1.0
79.05493	1.7
80.29891	0.3
81.03391	0.3
81.07056	4.8
82.06499	0.3
82.07355	0.5
83.04959	0.4
83.08543	0.8
84.04445	0.3
84.08076	1.2
85.06500	0.6
86.06073	3.1
86.88566	0.3
91.05460	2.0
92.05749	0.4
93.07050	1.6
94.07323	0.2
95.04909	0.8
95.05491	0.3
95.08617	2.1
96.08126	1.9
96.08651	0.4
97.06477	0.6
98.05973	0.8
98.09694	2.7
98.20773	0.4
99.04402	0.3
99.08099	2.3
105.07040	1.9
107.08626	1.5
108.08114	1.4
109.06483	0.5
109.10173	1.4
110.09630	0.7
110.10434	0.7
111.58301	0.3
112.03221	0.2
116.10738	14.7
119.08585	2.6
120.08871	0.4
121.10143	1.3
122.09686	1.3
123.11660	1.2
124.07571	0.6
126.09126	0.4
129.06931	0.4
130.84550	0.2
131.04848	0.3
131.08482	0.5
133.06413	0.3
133.10077	1.2
134.10445	0.3
135.10370	0.4
136.11220	0.4
140.10666	0.6
142.12267	0.3
143.10661	1.5
147.08015	0.8
147.11690	3.9
149.09619	0.5
154.12289	0.4
154.15901	3.2
157.10158	1.3
159.08043	0.5
159.11609	0.3
161.09616	0.4
164.14345	0.5
165.12759	1.3
166.15948	2.0
168.17476	0.5
173.11653	0.4
175.11205	1.5
178.15921	1.3
185.09669	0.3
193.12251	0.6
196.16982	10.3
197.59779	0.3
214.18028	100.0
215.18347	1.5
229.14388	1.4
254.17531	0.8
255.15921	1.4
283.16943	0.5
292.14352	0.3
308.22583	0.5
326.23273	5.1
326.26901	0.4
368.18817	0.3
388.20242	0.5
406.21283	1.1
406.29495	1.8
407.22787	0.4
424.22641	3.4
424.30865	14.3
425.23026	0.4
425.31046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2847
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
53.03971	1.4
55.05510	3.7
57.07079	2.4
67.05499	6.6
68.05042	6.9
69.03412	1.9
69.07091	3.8
69.36601	7.4
69.37013	2.6
70.06598	20.3
79.05486	10.2
80.05019	5.4
81.07063	10.4
82.06600	6.9
83.08618	3.0
85.06515	1.3
91.05486	15.1
91.58165	1.1
93.05782	1.4
93.07055	13.8
95.04961	4.8
95.08615	7.7
96.08135	3.3
98.06094	1.6
98.20714	1.3
98.93602	1.3
100.07613	12.9
103.05463	2.1
105.07030	31.3
105.07676	2.2
107.07423	1.3
107.08600	12.9
108.08143	5.1
109.06486	1.3
109.10178	3.9
114.05559	7.2
116.07053	1.9
117.07015	8.9
119.08587	24.2
120.08158	2.8
121.10160	8.5
122.09662	2.6
123.11716	1.5
126.09177	1.6
128.06238	3.1
128.07088	17.9
129.06998	4.6
130.07771	3.3
131.04958	1.4
131.08565	18.9
133.09171	2.0
133.10121	14.3
134.09660	2.9
135.08052	3.4
135.11687	4.3
142.07751	3.1
142.08665	7.1
143.08572	12.5
144.09346	1.8
145.10118	20.1
147.08025	1.5
147.11707	4.4
148.11226	5.1
149.13235	1.5
154.08638	31.6
155.08583	3.9
156.09344	3.0
157.10147	12.4
158.10883	2.4
159.11722	5.9
160.11212	1.6
164.07092	3.1
165.07108	1.3
166.12163	1.3
167.08641	2.1
168.10283	7.6
169.10069	6.6
171.11703	5.7
172.11194	2.0
173.13290	11.0
174.12813	2.9
178.08626	4.7
179.08521	1.5
180.10306	1.7
181.10196	3.3
183.11726	4.5
185.13293	3.0
186.12848	1.6
187.14894	1.9
192.10275	2.3
193.10144	2.2
194.11855	17.7
194.96594	1.3
195.11823	2.5
197.13303	1.8
198.60587	1.4
199.14859	6.2
201.16371	1.4
207.11761	2.1
209.13254	6.1
210.13641	1.6
214.12985	1.6
216.10252	2.0
217.15900	3.0
218.11926	5.8
220.13368	5.8
221.13252	1.9
223.14815	2.3
232.13397	1.7
235.14845	1.7
238.12874	1.4
258.14886	2.2
270.14990	2.1
284.16409	1.5
286.18063	3.5
302.17450	3.1
314.21057	9.5
332.22198	91.1
364.19623	1.3
384.84756	1.3
406.21909	1.1
406.27631	10.6
424.22849	3.2
424.28552	100.0
425.18887	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76782	2.1
52.53082	2.0
53.03942	5.2
55.01861	4.3
55.05518	10.7
55.27714	1.8
57.03418	5.1
57.07090	3.2
60.04526	3.9
62.06085	6.4
62.66066	2.2
67.05504	16.6
69.03437	12.9
69.06741	2.2
69.07065	17.2
70.06570	2.1
70.73766	3.6
70.74106	4.4
71.04994	17.5
73.02914	3.1
78.45926	1.9
79.05492	15.7
81.03413	10.8
81.07060	29.5
83.04989	10.7
83.08607	4.2
84.04484	3.5
85.02911	25.1
85.06552	12.6
86.06071	2.1
86.09712	3.1
87.00809	3.5
87.04485	5.1
91.05476	17.6
93.06483	2.3
93.07053	33.2
95.04943	4.9
95.08611	41.9
97.02910	11.0
97.06531	14.6
99.04436	6.3
99.08085	5.1
101.06018	8.5
105.01835	2.6
105.07029	21.6
107.04950	4.9
107.08599	35.7
109.02908	13.8
109.06531	9.3
109.10157	24.1
111.04429	2.9
111.08096	4.9
112.39296	2.0
113.05999	9.3
117.06991	8.7
119.08590	12.6
121.06535	4.1
121.10155	28.8
123.04385	2.5
123.08050	7.0
123.11678	7.7
125.06072	2.4
125.09599	4.9
127.03908	16.7
131.08580	23.5
133.09224	2.5
133.10144	21.7
134.47305	1.9
135.08072	12.5
135.11697	18.4
136.07576	4.6
137.09633	10.6
139.11166	2.5
140.10683	5.8
141.05457	9.1
141.09105	15.3
141.12723	3.0
143.08594	2.6
145.04945	7.4
145.10132	11.4
147.04385	6.0
147.11676	19.4
149.09604	8.6
149.13268	16.4
151.11154	3.0
153.09113	3.3
153.12776	2.7
155.10706	23.7
159.06517	6.6
159.10228	16.4
159.13812	2.9
161.13255	7.3
163.11201	3.1
163.14830	18.4
164.07054	2.6
165.12735	2.4
167.10648	5.4
171.06461	2.5
173.13275	39.7
176.07130	2.9
177.15025	2.4
179.14368	2.8
191.14322	62.4
196.33917	1.9
209.11882	3.0
209.15373	76.9
227.12737	6.8
227.16426	100.0
244.19067	4.8
245.17505	16.7
262.10687	4.6
285.09631	6.6
303.10461	2.1
321.94290	2.1
332.90793	2.1
371.13187	2.6
388.23306	5.9
389.14420	3.3
406.24332	9.6
424.19412	4.0
424.25180	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.4
55.05508	1.5
55.73619	0.8
57.07076	0.9
57.45904	0.7
59.04992	0.9
61.50102	0.7
67.05502	3.6
69.03427	3.6
69.07076	6.9
69.65603	3.5
71.04999	2.8
79.05484	3.1
81.03407	2.8
81.07066	6.8
83.04998	1.4
83.08593	1.1
85.02911	4.0
85.06538	3.1
91.05480	2.0
93.07066	9.2
95.04963	1.8
95.08607	11.1
97.02876	1.7
97.06528	6.3
99.04468	4.6
99.08135	1.4
100.07592	0.9
103.03973	1.0
105.07043	6.7
107.08599	24.5
109.02860	1.1
109.06544	4.4
111.08114	1.9
113.06027	4.4
119.08561	3.2
121.06509	4.2
121.10153	8.1
123.04499	0.9
123.08076	5.4
123.11745	1.0
125.05987	1.2
127.03870	1.5
127.07534	1.0
130.32889	0.8
133.06410	0.9
135.11668	5.2
139.11179	1.0
141.05492	2.5
141.12752	2.3
145.04916	1.2
145.10126	8.6
147.11702	1.5
149.09650	3.6
151.07590	4.1
153.12772	0.9
163.11185	19.9
165.12715	1.1
167.10709	10.9
169.08612	54.8
173.09644	2.0
181.12245	13.6
185.11737	4.1
191.10703	8.6
195.06523	1.0
209.11742	9.7
209.15274	1.4
227.12791	100.0
227.16449	2.7
228.13129	0.9
245.13811	3.7
254.88214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47487	1.2
53.03942	4.0
53.14742	1.4
55.01874	2.9
55.05516	1.7
57.03418	1.6
58.95227	1.4
67.05506	7.2
69.03427	5.0
69.07065	9.5
69.29139	1.4
69.67993	9.4
71.04994	12.1
79.05493	5.5
81.03421	10.4
81.07064	4.3
83.08602	2.1
85.02911	13.0
85.06534	2.1
91.05484	4.9
93.07029	7.4
95.04987	10.4
95.08600	5.1
97.02895	12.6
97.06513	3.5
98.20659	2.9
99.04463	19.2
99.08105	1.8
105.01884	2.2
105.07018	2.4
107.04971	8.4
107.08606	4.5
109.02878	26.0
109.06503	2.0
113.06005	18.2
113.09629	1.6
117.07030	2.9
119.08589	3.0
121.10141	6.9
123.04439	3.1
123.08047	4.3
127.03924	24.3
129.07024	3.7
131.08539	4.6
135.11673	3.0
141.05467	27.1
141.09084	7.7
145.04953	7.5
145.06487	2.3
145.10146	10.2
147.09117	1.9
147.11668	1.6
149.09627	5.1
152.07069	1.6
155.08571	15.6
159.06543	27.4
159.10172	3.8
163.11235	7.6
163.14885	2.4
173.09630	25.3
176.09630	1.5
181.12328	3.9
191.10674	57.2
193.12241	2.3
209.11737	16.2
209.15366	2.5
213.07623	3.3
227.12784	100.0
231.08655	2.9
245.13959	3.8
262.10608	2.4
267.08676	4.6
272.71768	1.6
285.09665	28.1
303.10855	3.3
425.19293	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	424.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34781	2.4
52.11628	1.7
53.03942	2.3
53.34818	2.0
55.01872	3.2
61.02923	3.9
69.03435	9.4
69.66348	7.7
69.66767	3.0
70.06578	3.6
72.29900	1.8
74.00655	2.3
78.01819	2.0
79.05484	4.9
79.79374	1.9
81.03408	3.3
84.04494	7.4
85.02905	21.9
85.04033	2.6
88.07617	3.9
88.11261	3.6
89.03922	2.3
91.03939	2.3
91.05499	12.8
93.07043	8.6
95.01321	3.1
95.04936	5.1
95.25901	1.8
97.02884	7.3
97.06525	7.5
98.97591	4.6
99.04431	2.8
99.05569	9.4
103.05504	11.7
105.03391	3.2
107.04934	7.2
109.06528	5.9
109.23531	2.0
113.02488	1.9
113.76221	1.7
116.07070	2.1
116.12227	2.0
117.03352	4.6
119.04974	4.7
121.06516	17.4
123.04366	2.1
127.03922	3.9
130.05040	9.4
131.04904	12.1
131.59941	2.1
133.02861	30.9
134.03629	2.6
135.04430	4.3
137.05988	17.0
137.61728	1.9
145.05008	3.8
145.06082	13.8
147.04347	2.8
148.05165	5.9
149.05994	28.3
153.05467	3.3
153.06596	2.7
159.04410	8.8
163.03961	3.9
165.05479	31.0
167.07062	45.5
173.08160	3.0
176.04684	3.5
177.03273	5.6
177.05486	84.9
178.06052	2.8
181.08603	3.1
182.05754	4.6
191.07034	5.4
194.05740	6.0
197.08112	63.3
209.08095	100.0
213.05438	2.1
227.09184	42.8
349.22687	2.0
439.53210	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	424.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.01863	2.8
55.05508	3.4
57.03424	3.4
61.02923	1.7
67.05507	16.3
69.03413	9.2
69.07053	6.3
69.33083	14.1
70.06602	2.6
71.01345	2.0
71.04993	31.9
73.02912	2.4
78.04710	1.5
79.05495	6.5
81.03436	15.5
81.07053	9.4
81.39403	1.6
82.06577	2.7
83.04971	4.2
83.08640	2.9
84.08126	2.3
85.02898	23.8
85.06558	7.8
86.09701	2.3
87.00845	3.4
91.05470	5.5
93.07035	5.8
95.04969	17.2
95.08626	11.4
95.47884	1.7
97.02895	21.8
97.06512	5.5
99.04449	5.9
100.07605	7.6
101.06024	2.2
105.01894	4.2
105.07023	6.3
107.04973	3.8
107.08610	11.4
109.02888	28.4
109.06524	4.1
109.10162	4.9
111.04431	2.1
111.08094	2.7
113.06006	100.0
119.08549	4.9
121.10166	11.4
123.04462	9.4
123.08057	5.4
123.11684	2.5
127.03915	35.5
127.11224	1.9
131.04871	2.3
131.08562	3.5
133.06441	3.0
133.10121	7.7
135.08054	3.4
135.11644	7.9
136.07578	2.6
137.05960	2.0
137.09586	2.8
139.11194	2.2
141.05463	33.0
141.09126	13.6
145.04961	12.0
145.10182	2.8
147.08067	1.9
147.11627	3.4
149.09616	43.0
149.13145	1.8
151.11172	6.0
159.06544	23.0
159.10117	4.0
161.05991	2.6
162.06287	1.8
163.07500	3.3
163.11159	2.0
163.14807	4.7
167.07043	27.8
168.07382	15.7
173.09552	2.1
173.13310	5.5
177.05418	2.0
191.10681	3.6
191.14320	14.4
193.08635	2.8
194.08919	4.0
195.06448	1.9
209.15385	21.1
227.12973	10.9
227.16444	23.9
244.09639	6.1
244.15263	1.9
245.13918	5.2
245.17415	10.8
251.54982	1.6
262.10599	4.4
262.14401	2.0
267.08658	14.5
285.09683	43.5
285.12897	2.7
303.10794	6.1
341.45895	1.9
384.41934	2.0
424.19995	3.1
425.15756	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	424.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76986	1.7
53.03930	6.2
56.98658	1.7
57.03418	2.4
57.07076	1.9
67.05515	11.8
69.03432	14.8
69.07072	3.9
70.06567	3.8
71.04994	33.4
71.54955	2.6
73.02924	2.8
77.42953	1.7
79.05498	5.6
81.03423	17.4
81.07069	9.0
82.06562	3.3
83.04979	5.3
85.02911	24.7
85.06528	6.9
87.00813	3.0
91.05471	7.5
93.07043	8.2
95.04983	16.1
95.08596	12.2
97.02904	21.2
97.06522	6.7
99.04452	6.7
99.08067	2.7
100.07633	10.9
101.06021	2.2
102.55066	1.6
103.03956	1.9
104.07076	2.2
105.01876	3.3
105.07016	5.8
107.04955	4.4
107.08610	12.1
109.02881	35.2
109.06532	4.2
109.10169	5.1
113.06010	100.0
115.70143	1.8
119.08623	4.0
121.06494	2.8
121.10139	13.2
123.04430	7.8
123.08044	4.1
123.11710	4.3
127.03928	33.8
131.08582	5.4
133.10141	7.0
135.07951	1.8
135.11674	5.3
137.06010	1.8
137.09654	2.7
139.07596	1.8
140.10686	4.7
141.05482	34.7
141.09099	12.5
143.08562	2.0
145.04942	7.3
145.10114	2.8
149.09634	55.1
149.13245	2.8
151.11182	7.0
153.09106	2.0
157.93671	1.7
159.06537	25.2
159.10136	3.4
161.05890	2.4
163.07523	2.4
163.11250	2.3
163.14795	6.8
165.12744	3.1
167.07048	18.5
168.07384	10.3
173.09679	2.7
173.13249	7.5
177.05322	1.8
181.12193	2.9
185.11821	2.6
191.10715	8.7
191.14317	18.2
193.08652	2.7
209.11606	2.8
209.15375	19.8
213.07608	2.2
227.12814	13.2
227.16406	19.3
244.09697	8.1
245.13766	6.7
245.17535	15.0
262.10800	8.0
267.08624	17.7
285.09695	49.2
303.10803	8.5
424.19730	2.6
425.15634	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	423.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70170	1.5
53.03941	3.1
55.05271	1.9
55.05517	29.1
57.03423	6.6
57.07079	12.8
59.05009	2.0
61.36772	1.7
66.65044	1.5
67.05186	1.8
67.05508	26.7
69.03440	3.4
69.06739	3.1
69.07077	43.2
69.19525	17.5
71.04988	4.0
71.08608	5.8
72.08142	1.8
79.05509	20.7
81.03406	2.7
81.06589	2.8
81.07063	49.3
83.04961	2.5
83.08625	23.2
85.06544	2.0
85.10172	2.2
91.05466	14.5
91.31716	1.5
93.07044	33.0
95.04979	1.7
95.08611	60.7
97.02830	2.6
97.06509	3.6
97.10177	14.2
98.20744	3.8
99.08041	2.4
105.06404	1.8
105.07036	27.2
107.08604	45.8
109.06506	7.2
109.10164	50.1
111.08069	3.1
111.11700	4.5
113.00025	38.9
115.05473	2.2
117.06992	6.5
119.08585	33.9
121.10150	43.8
123.08063	5.9
123.11732	20.6
125.09644	2.4
127.11171	6.3
128.06219	3.0
129.07005	3.4
131.08582	13.9
133.08641	2.1
133.10139	43.6
135.11703	28.0
137.13248	6.6
143.08557	8.1
145.10136	27.4
147.11684	21.8
149.13272	15.1
155.08534	2.9
157.10130	15.9
158.10928	2.0
159.11699	27.0
161.13268	14.2
163.14795	7.6
169.02621	37.3
169.10123	3.1
171.11719	11.1
173.13275	17.7
175.14848	13.6
177.16399	3.8
179.14333	25.3
181.10109	2.1
183.11687	4.1
185.13275	16.4
187.03610	2.5
187.14839	21.0
189.16405	11.1
191.17979	8.8
193.15855	3.0
197.13200	4.4
199.14851	14.1
201.16425	13.2
203.17964	7.3
205.19487	1.9
211.14880	3.8
213.16402	14.9
215.17975	10.8
217.19511	4.7
219.17470	2.7
223.14764	2.1
225.16385	3.7
227.17958	19.5
229.19511	9.5
231.20920	3.5
233.19095	2.3
237.22125	2.4
239.14706	1.7
241.19493	3.1
243.20993	5.9
246.06517	1.8
253.19434	4.1
255.21037	6.6
257.22574	3.5
259.20636	2.0
265.19449	1.9
267.21106	4.4
269.22699	12.1
271.20715	3.0
271.24176	8.4
281.22626	5.2
283.24210	10.8
285.22385	2.5
287.23663	1.7
295.24326	1.9
299.23615	3.2
307.23898	2.1
309.25583	2.4
311.25821	42.1
313.25085	3.2
319.06018	1.8
321.25940	3.5
323.27271	3.2
331.26352	7.7
335.27505	2.4
337.28909	9.4
341.28409	5.3
353.28482	2.9
367.30103	2.5
405.35239	22.8
423.30954	27.6
423.36166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3623
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03958	2.4
55.05512	11.8
57.03439	2.3
57.07072	5.0
57.07400	1.0
65.03951	1.4
67.05508	32.7
67.10953	1.1
68.64931	1.1
69.03442	4.7
69.07077	36.6
69.79108	1.2
70.71669	3.8
71.08649	2.5
72.10239	1.1
73.02918	1.4
73.06529	1.6
74.52532	1.2
79.05502	12.2
81.03433	3.5
81.07065	34.6
83.04993	2.6
83.08621	10.4
85.02927	1.6
85.06595	1.8
91.05504	10.7
93.07054	23.6
95.04992	2.0
95.08611	35.6
95.12360	1.3
97.02882	1.5
97.06516	2.1
97.10163	4.2
105.07045	18.4
105.07700	2.1
107.08600	31.3
107.09295	2.0
109.06525	2.6
109.10165	64.8
109.50429	1.1
111.08101	8.0
111.11740	2.5
117.07050	5.3
119.08591	28.6
121.06495	1.3
121.10151	24.5
123.11716	13.3
125.09669	1.7
127.11219	1.3
129.07018	3.6
131.08591	9.7
133.10147	19.4
135.08084	1.4
135.11713	19.6
137.13313	3.7
143.08603	8.1
145.10139	18.3
147.08060	1.6
147.11728	14.2
149.13280	8.7
151.14900	1.5
157.10144	10.2
158.10921	1.4
159.11702	21.0
161.13289	16.4
163.14850	6.3
165.16318	1.4
169.02733	1.6
169.10202	4.6
170.10954	1.7
171.11696	11.0
173.13277	17.6
175.11243	1.3
175.14830	13.4
177.16371	4.0
178.45067	1.3
179.14488	1.6
183.11732	5.6
184.12451	1.5
185.13293	9.9
187.11275	1.8
187.14835	14.6
189.16403	7.3
191.14355	2.1
191.18010	2.1
195.11720	3.4
197.13234	6.6
199.14862	12.8
201.16335	7.0
203.14368	1.3
203.18004	4.5
205.15984	1.5
207.11839	1.2
209.13289	2.6
211.14880	5.2
213.16377	7.2
215.17987	5.6
217.19580	3.8
223.14871	3.2
225.16475	3.5
227.17975	4.6
228.87390	1.3
229.19658	4.4
231.21152	3.7
239.18019	3.7
241.19502	7.1
243.21194	4.2
245.22600	1.6
251.18022	2.4
253.19653	4.1
255.21127	4.8
257.22864	2.9
259.20682	2.6
259.24222	3.0
261.22379	1.3
265.19504	1.4
267.21170	3.5
269.22610	7.7
271.24277	1.5
273.22281	2.2
279.21234	3.0
281.22809	3.3
283.24231	5.1
293.22815	1.9
295.24228	3.4
297.22452	2.1
297.25757	2.7
309.25720	1.6
311.23752	1.4
311.27362	5.2
313.25244	2.8
321.25745	2.7
335.27304	7.0
337.28967	4.0
346.98578	1.1
349.28934	4.0
351.23227	1.5
351.30606	2.1
353.28363	7.1
367.30023	3.7
369.24356	2.7
387.25354	3.2
405.26740	3.0
405.35205	43.5
423.27213	4.1
423.36334	100.0
424.36658	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	423.3622
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03954	1.5
55.01871	2.4
55.05518	11.1
57.03423	2.1
57.07077	7.0
58.75253	1.2
65.03934	1.6
67.05506	30.6
69.03429	5.8
69.07075	19.6
71.05000	2.1
79.05497	14.4
81.03410	7.2
81.07060	38.0
83.04982	3.3
83.08614	8.9
85.02900	2.6
85.06563	1.7
87.41789	1.2
91.05479	9.9
93.07059	22.0
95.04997	2.1
95.08609	42.2
97.02923	3.8
97.06548	2.4
97.10182	4.3
103.04001	1.3
105.03423	1.8
105.07036	19.4
107.04987	1.7
107.07882	1.3
107.08604	26.3
109.06549	2.6
109.10161	41.3
111.04469	1.2
111.11763	2.8
117.07036	6.7
119.08595	17.6
121.06529	2.3
121.10136	22.2
123.08077	2.6
123.11710	10.8
125.09607	2.5
129.07024	4.6
131.08583	13.0
133.06525	1.6
133.10147	14.1
135.11700	16.4
137.09688	1.3
137.13249	25.2
139.11176	1.2
141.06874	1.5
143.08540	7.2
145.10152	16.7
147.08122	2.1
147.11676	11.8
149.13278	9.6
151.14851	2.2
155.08549	2.8
157.10149	7.9
159.11703	14.7
161.09662	1.7
161.13219	9.4
163.14879	5.0
169.10167	4.1
171.11664	9.1
173.13249	15.3
175.11168	1.7
175.14807	6.6
177.16414	3.1
179.14267	1.5
183.11749	3.8
185.13277	8.0
187.11172	1.3
187.14772	11.3
189.16470	4.1
191.17972	4.2
195.11742	1.5
197.13318	5.2
199.14856	6.5
201.16328	6.2
203.14397	2.0
203.17960	2.7
209.13316	3.6
211.14885	4.0
213.16443	5.4
215.17955	3.8
217.19528	1.9
221.13312	1.4
224.15366	1.4
225.16336	3.0
227.18007	5.0
229.15874	1.9
229.19583	3.5
231.21068	1.8
233.15430	1.5
237.16336	2.1
239.18019	4.0
241.19556	4.2
243.21199	3.4
253.19513	2.2
255.21153	2.4
257.22717	1.9
259.20551	2.0
261.22202	3.2
265.19510	1.9
267.21106	5.7
269.22748	5.2
277.21664	2.3
279.21005	2.8
281.22815	3.1
283.20386	1.6
283.24121	3.8
285.22116	6.5
287.23700	2.1
293.22711	2.0
295.24203	3.1
297.22360	1.6
297.25790	2.7
299.23837	2.3
303.23007	2.9
309.25787	1.5
311.27094	1.5
313.25223	5.9
321.25989	2.0
323.27466	2.6
335.27328	3.8
337.29144	1.5
341.28421	2.1
349.28979	2.8
351.23276	2.0
351.30515	1.7
353.28482	8.8
367.30029	3.2
369.24405	5.1
387.25333	5.6
405.26474	5.5
405.35193	29.9
423.27307	4.7
423.36301	100.0
424.36646	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	423.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77212	5.5
55.05511	20.4
57.07073	19.7
65.79621	5.9
67.05509	32.1
69.07072	64.7
71.08611	8.2
71.20733	11.4
75.43028	5.5
79.05502	11.3
81.07054	51.6
83.08626	27.7
84.26053	5.9
91.05489	13.4
93.07039	23.0
95.08611	71.1
97.10149	13.2
105.07053	26.4
107.08602	40.2
109.06543	5.1
109.10153	63.9
111.11745	10.9
119.08581	39.0
121.10162	29.3
123.08066	6.7
123.11697	24.4
125.09657	7.9
129.06995	5.4
131.08574	17.4
133.10098	29.9
135.11717	26.3
137.13261	25.0
143.08545	11.3
145.10114	16.0
147.11710	26.1
149.13274	14.7
151.14868	7.1
157.10077	6.7
159.11693	22.5
161.13266	28.5
163.14839	12.8
169.10083	11.6
171.11719	12.5
173.13301	12.1
175.14838	9.1
177.16422	11.4
179.14339	6.3
183.11703	13.2
185.13203	15.7
187.14766	12.8
189.16422	7.0
191.17960	6.0
199.14848	9.0
201.16426	6.3
211.14693	7.1
211.28200	6.0
213.16435	6.5
217.19443	7.4
219.13309	5.5
225.16304	9.5
227.17857	9.5
245.19063	6.0
267.20990	15.0
271.20865	6.1
280.86469	5.4
283.20584	8.2
285.22177	59.7
295.24261	8.2
297.22195	10.3
311.23669	13.2
313.25302	25.7
405.35428	9.5
423.31580	7.4
423.36292	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.05508	7.6
57.07076	3.4
67.05510	17.9
69.07082	18.6
69.42901	14.6
69.68734	1.9
79.05496	9.2
81.07059	32.7
83.08618	6.8
91.05476	7.9
93.07045	19.7
93.50876	1.8
95.08610	56.2
97.10175	4.0
105.07040	20.8
107.08609	32.1
109.10164	51.1
117.07011	2.2
118.04655	1.7
119.08577	23.2
121.10153	29.3
123.08105	3.3
123.11719	35.7
125.09602	2.9
130.19748	1.8
131.08589	5.8
133.10153	22.5
135.11696	17.4
137.09639	2.8
137.13249	6.2
145.10143	8.2
147.11685	24.2
149.13277	9.2
151.11208	2.7
151.14902	3.4
157.10141	4.6
159.11671	9.3
161.13269	14.2
163.11203	3.9
163.14882	10.3
165.12712	1.9
171.11743	4.2
173.13292	7.0
175.14861	8.2
177.12776	4.1
177.16441	5.6
185.13251	2.9
187.14799	7.6
189.16373	5.4
191.18008	3.0
199.14799	2.0
201.16380	7.1
203.14340	2.5
203.17957	14.4
205.15904	6.6
205.19498	2.6
213.16403	3.0
215.17957	3.0
217.19508	15.5
219.17523	3.0
229.19490	2.6
231.21297	2.1
233.19165	4.0
243.21143	2.8
245.19012	3.9
255.21013	4.2
257.19016	2.2
259.20636	6.6
271.20615	5.7
271.24158	5.2
285.22397	3.4
285.25821	6.5
299.23630	2.9
313.25302	2.3
327.26740	2.3
348.81851	2.0
353.28384	2.4
367.30032	2.7
405.35239	7.3
423.36249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.362
Annotation	Glochidone
Peak:m/z	Relative Intensity
55.05505	8.9
57.07067	2.6
67.05505	15.5
69.07070	14.4
69.28354	15.5
79.05492	6.1
81.07063	30.6
83.08617	5.8
91.05459	4.8
93.07047	13.7
95.08614	42.4
95.78675	1.6
97.10186	2.7
98.21472	3.2
105.07035	16.5
107.08600	29.4
109.09471	2.9
109.10166	45.3
111.11753	2.0
117.07055	2.1
119.08589	24.1
121.10139	26.6
123.08107	1.7
123.11711	27.0
131.08560	4.8
133.10153	18.2
135.11684	12.0
137.13286	5.3
142.57669	1.7
145.10135	9.2
147.11700	21.3
149.13264	11.1
151.14850	3.8
159.11664	8.0
161.13246	16.6
163.11215	4.1
163.14764	10.6
165.16467	2.2
171.11740	3.8
173.13283	6.1
175.14861	6.8
177.12802	2.2
177.16377	4.6
185.13277	2.7
187.14862	4.4
189.16431	6.8
191.14398	2.1
191.17911	2.2
197.13327	2.8
199.14876	2.8
201.16377	4.0
203.17953	17.0
205.15898	8.9
205.19620	2.8
211.14795	1.8
215.18007	2.7
217.19499	12.0
219.17558	2.8
229.19682	2.4
231.17503	2.3
233.19054	3.7
241.19638	2.2
245.19012	2.6
257.19128	3.5
259.20673	5.0
269.22678	3.7
271.20612	5.7
271.24127	3.2
272.81866	1.9
273.22070	4.0
273.25763	2.2
285.22174	3.4
285.25790	4.5
405.35117	10.9
423.36237	100.0
424.36963	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	423.3623
Annotation	Glochidone
Peak:m/z	Relative Intensity
55.05510	7.8
55.71581	1.1
57.07074	3.8
66.93088	1.1
67.05512	13.5
69.03426	1.7
69.07074	24.6
69.46596	9.0
71.08627	1.2
79.05503	8.3
81.07063	24.1
83.08621	7.2
89.06055	1.5
91.05513	8.8
93.07046	20.4
95.05003	2.3
95.08613	30.1
97.10168	2.2
105.07042	18.2
107.08608	29.8
109.10165	29.3
111.08092	2.6
117.07055	4.0
119.08598	23.4
120.67450	1.3
121.10152	22.5
123.11713	15.3
125.06838	1.2
128.52425	1.4
129.07048	2.0
130.07780	1.4
131.08609	8.8
133.10139	30.6
135.11705	24.9
135.25998	1.2
137.09645	2.0
137.13338	2.9
140.49403	1.1
143.08582	4.3
145.10129	25.4
146.10941	1.7
147.11687	22.9
149.13300	7.3
151.11211	4.8
151.14877	2.0
157.10201	8.9
158.10931	2.3
159.11705	20.7
161.13283	13.1
163.14836	4.9
169.10172	1.6
171.11720	5.3
173.13268	10.4
175.14812	7.7
177.16476	3.3
179.14278	2.0
181.25055	1.3
183.11687	2.6
185.13226	5.9
187.14922	7.1
189.16405	11.5
191.17926	11.1
193.15970	1.1
197.13257	2.2
199.14905	5.4
201.16391	23.1
203.17982	18.2
205.15907	1.2
207.17442	7.0
211.14792	2.1
213.16417	7.7
214.17204	1.6
215.17976	18.3
217.19612	3.8
221.19038	1.8
225.16402	2.2
227.17952	5.4
229.19501	7.3
231.21140	2.1
231.89674	1.3
240.18695	1.2
241.19681	1.8
243.21111	3.7
253.19833	2.0
255.21135	2.6
257.22681	2.8
259.20654	1.4
267.21411	1.5
269.22684	7.4
271.24231	3.8
283.24203	6.0
295.24246	1.9
335.27472	2.2
353.28333	2.7
355.30072	2.1
367.30011	2.6
381.31375	2.3
384.49216	1.3
405.35202	14.1
423.36279	100.0
424.36627	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	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.6
53.32924	2.1
55.01873	11.1
55.05511	18.1
57.03426	6.2
57.07078	2.7
59.04996	3.4
63.12552	2.1
65.03903	2.7
67.05505	100.0
69.03440	13.7
69.07073	17.2
71.04973	2.9
71.55949	1.9
75.37039	2.2
79.05064	3.3
79.05492	46.3
80.57909	2.1
81.03430	25.4
81.07060	58.4
83.04963	8.1
83.08614	11.2
85.02895	3.5
85.06564	5.0
91.05476	29.4
92.39808	2.0
93.07052	47.8
95.04969	15.7
95.08607	33.8
97.02902	4.6
97.06528	9.2
97.10155	5.4
99.04416	3.8
103.05457	2.5
105.07031	31.5
107.04953	7.9
107.08589	32.2
109.06519	10.1
109.10156	48.4
110.31245	2.4
111.08083	7.1
115.05430	7.1
117.07021	21.5
119.08585	40.1
121.06516	5.4
121.10146	14.8
123.08048	3.7
123.11700	5.5
125.09681	2.7
127.03942	3.3
128.06226	4.9
129.07013	16.5
131.08580	27.3
133.06465	7.6
133.10117	26.2
135.08063	6.0
135.11705	9.6
137.02867	2.3
137.09676	2.8
139.11183	3.4
141.06979	7.1
142.07758	9.5
143.08569	14.3
145.06471	10.1
145.10129	23.4
147.08047	31.8
147.11714	8.7
149.09584	6.4
149.13264	18.2
149.35785	2.6
155.08522	6.7
155.10638	3.6
156.09308	8.2
157.10127	24.2
159.08020	19.5
159.11636	15.9
161.05887	2.7
161.09610	17.0
161.13249	7.0
165.09097	2.8
169.10110	9.9
171.08035	7.7
171.11691	30.0
173.05942	3.7
173.09641	15.2
173.11719	11.0
173.13243	8.1
175.07501	5.6
175.11176	7.2
179.08539	4.2
181.10161	4.9
182.10701	2.3
183.08022	3.8
183.11685	6.4
185.09627	7.6
185.13258	8.8
187.07564	2.7
187.11166	8.1
187.14857	5.7
189.09131	2.5
189.12666	3.2
193.10152	4.1
195.11887	5.0
195.13785	7.9
197.09656	4.8
197.13284	6.0
199.11200	9.6
199.14859	3.8
201.12735	2.4
203.10722	4.6
205.10156	2.5
207.11702	4.4
209.09618	4.0
209.13211	7.2
211.11256	3.4
213.09102	4.6
213.12750	5.3
215.10612	3.9
217.12213	3.7
221.13297	5.3
222.10498	2.5
223.11168	4.2
223.14706	3.2
225.12717	4.8
225.16718	2.3
227.10713	2.5
229.12318	2.4
231.13818	7.6
233.13254	3.0
237.12773	5.3
237.16379	2.5
241.12233	3.2
245.11514	4.3
247.11192	2.9
249.12674	3.6
249.14915	5.5
251.14235	3.4
253.15875	3.1
259.13361	7.7
259.20587	6.7
261.22116	8.0
273.12567	3.8
273.22083	2.7
277.21832	2.4
289.15875	2.9
289.21371	3.2
303.17529	2.4
303.23352	4.8
317.18915	4.1
331.16779	5.6
335.16321	4.8
345.18524	6.0
345.24301	4.3
349.17810	4.0
363.19467	3.9
367.18829	2.7
369.24225	10.5
373.17831	9.9
377.20963	5.4
385.51602	2.7
387.19647	2.4
387.25232	10.2
395.22043	3.0
405.20471	18.9
405.26208	11.5
423.21548	79.0
423.27368	60.5
423.32736	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64550	3.0
53.03938	10.0
55.01873	18.3
55.05508	22.7
56.12330	3.1
57.03433	7.0
58.95657	3.2
60.69624	2.8
64.70589	2.6
65.03941	7.2
67.05512	100.0
69.03132	3.1
69.03439	34.1
69.07083	23.2
69.25293	25.8
71.04987	10.6
73.02912	3.9
79.05073	5.0
79.05497	77.4
81.03422	35.7
81.07066	88.3
83.05000	6.7
83.08622	10.1
85.02892	11.5
85.06539	4.3
91.05486	41.6
93.06483	4.3
93.07053	82.1
95.04948	6.9
95.08620	70.2
97.02903	75.2
97.06524	5.0
97.10175	3.8
99.04466	52.0
105.07043	35.9
107.04933	3.3
107.08613	39.8
109.02893	23.8
109.06518	3.1
109.10168	47.4
111.08067	4.1
117.07008	13.3
119.08599	27.4
121.06510	4.7
121.10160	48.8
123.08060	9.1
123.11675	9.9
126.72676	3.6
127.03931	62.2
129.07008	7.4
131.08586	23.7
132.31085	3.1
133.10152	23.1
135.11700	34.4
137.13239	4.5
138.91701	3.1
140.64886	2.9
143.08537	6.9
145.04977	10.9
145.10139	19.8
147.11736	15.2
149.09642	4.1
149.13289	17.6
157.10062	3.4
159.11658	13.7
161.13249	16.1
163.14832	5.3
167.50948	3.2
171.11638	4.1
173.13255	15.9
175.14909	7.8
179.14264	10.3
182.20062	3.2
185.13356	4.0
187.14877	5.4
189.16357	3.7
241.19775	5.4
243.21060	11.4
259.20538	5.7
261.22180	31.9
277.21573	3.4
311.23492	4.2
331.26273	5.0
357.24249	8.7
417.53659	3.5
423.26355	16.7
423.31299	12.1
423.36108	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	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	16.0
55.01885	23.4
55.05520	26.2
57.03423	7.3
57.07068	6.1
59.31109	3.1
65.03939	6.9
67.05506	89.1
69.03427	40.4
69.07070	22.4
69.44978	31.0
71.04986	16.1
71.22216	3.4
73.02896	12.8
79.05498	75.2
81.03067	3.5
81.03428	45.4
81.07059	100.0
83.08603	8.1
85.02897	13.9
91.05486	36.6
93.06478	5.4
93.07046	78.4
95.04972	9.5
95.08607	78.7
97.02890	71.7
97.06545	5.0
97.10153	7.1
99.04459	70.7
105.07027	32.4
107.08604	40.6
109.02894	31.7
109.06489	5.1
109.10151	30.7
117.07014	15.3
119.08562	34.8
121.10153	43.0
123.08080	19.9
123.11737	20.5
127.03914	78.3
131.08589	24.5
133.10127	19.8
135.08066	5.0
135.11690	25.6
137.13202	5.1
143.08542	5.9
145.04944	7.8
145.10121	14.4
147.11723	17.1
149.13226	12.4
159.11671	16.3
161.13242	14.4
163.14873	4.5
171.11661	4.5
173.13254	15.0
175.14827	4.1
179.14246	13.3
185.13222	3.8
187.14841	10.7
213.16351	4.2
243.21153	5.0
249.82121	3.9
259.20532	7.5
261.22064	35.2
287.23535	4.4
319.61539	3.9
329.24771	4.3
331.26266	6.2
339.22986	3.9
357.24347	7.8
423.26279	6.5
423.31821	31.6
423.36255	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11824	3.0
53.03948	11.0
55.01867	9.0
55.05518	25.3
57.03435	10.0
57.07067	6.2
59.04436	3.3
65.03949	3.4
67.05180	5.2
67.05516	79.5
69.03436	18.2
69.07072	23.2
70.79344	5.9
71.04980	13.3
73.02938	4.7
79.05502	59.1
81.03439	20.6
81.07069	83.7
83.04987	5.8
83.08617	11.3
85.02901	10.0
91.05501	45.2
93.07050	65.0
95.04958	7.9
95.08620	64.0
97.02905	100.0
97.06506	5.4
97.10212	6.0
99.04459	36.6
99.08069	3.5
101.02368	3.0
105.07053	38.8
107.08611	39.1
109.02884	12.6
109.06493	5.6
109.10158	38.5
111.08105	5.6
113.09673	3.1
117.07025	13.1
119.08609	32.3
121.06530	4.9
121.10171	44.0
123.08083	3.3
123.11729	16.1
125.09633	3.6
127.03950	32.9
129.07021	6.6
131.08618	26.8
133.06519	4.5
133.10144	26.5
134.37219	2.8
135.08044	4.4
135.11716	28.9
137.09682	4.4
142.07755	4.3
143.08607	11.1
145.04977	12.0
145.10149	25.8
147.08060	7.7
147.11688	18.5
149.09578	2.9
149.13272	16.8
157.10146	8.8
159.08116	3.2
159.11700	18.2
161.13264	12.3
163.14856	8.2
167.08507	2.9
169.10101	4.8
170.74757	3.2
171.11659	6.8
173.09499	3.0
173.13293	17.0
175.14833	4.9
177.12799	3.6
185.13210	7.5
187.14780	8.4
197.13293	3.5
199.14839	6.6
201.16394	7.8
209.13335	4.2
211.14789	4.9
241.19678	3.1
243.21075	7.8
259.20526	6.0
261.22195	32.5
277.21613	5.4
279.23206	5.3
291.23285	3.7
303.23190	7.5
315.23401	4.5
341.24710	3.7
351.22964	3.9
358.54993	2.6
369.24255	12.9
387.25470	14.9
405.26324	16.2
405.31223	5.6
423.27362	17.5
423.32538	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	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57918	2.3
53.03941	12.9
55.01864	5.1
55.05516	30.8
56.51827	2.5
57.03432	11.3
57.07074	7.4
65.03947	5.7
67.05510	100.0
69.03436	29.9
69.07077	31.5
69.36158	19.3
71.01376	4.9
71.04993	8.0
73.02941	5.6
79.05496	75.5
81.03426	34.6
81.06583	6.0
81.07059	100.0
83.04986	11.2
83.08620	17.7
84.77785	2.6
85.02911	15.9
85.06523	4.6
91.05479	57.4
93.07047	89.6
95.04986	12.6
95.08609	74.4
97.02929	13.3
97.06546	7.5
97.10155	8.9
99.04454	9.0
99.08105	3.6
103.03923	5.2
105.07041	55.7
105.07736	2.6
107.04949	8.8
107.08599	51.6
109.02901	4.9
109.06533	8.8
109.09439	5.0
109.10156	49.4
111.04452	8.4
111.08092	5.6
113.09626	2.7
115.05424	3.0
117.07011	27.7
119.08585	49.2
121.06487	4.5
121.10143	49.0
123.04472	4.5
123.08085	5.9
123.11727	16.6
125.09640	5.1
127.03902	7.9
128.06190	4.4
129.05502	5.4
129.06993	14.9
130.07848	3.2
131.08585	41.7
133.06512	6.7
133.10139	37.6
135.08051	8.4
135.11699	37.8
137.09636	6.9
137.13263	8.7
139.11165	7.0
141.06981	5.6
142.07793	5.5
143.08588	18.5
145.10109	31.5
147.08040	9.7
147.11700	30.0
149.09637	6.4
149.13289	19.2
155.08591	7.4
156.09351	2.9
157.10162	15.4
159.08095	3.1
159.11714	31.3
161.09645	4.6
161.13261	20.4
163.11247	5.1
163.14839	9.7
169.10164	7.6
171.11723	13.1
173.09644	4.0
173.11876	4.4
173.13249	20.4
175.11197	3.5
175.14851	8.8
177.12808	3.8
181.10112	4.1
183.11685	8.5
185.13300	11.3
187.11250	6.3
187.14769	16.6
189.12654	4.3
189.16354	4.5
195.11758	5.5
195.13759	3.6
197.13277	4.7
199.11226	4.6
199.14851	7.8
201.16458	5.1
203.14304	3.3
205.15967	2.7
209.13271	4.3
211.14774	6.8
213.16467	4.8
215.14218	3.2
215.17847	4.0
225.16394	2.8
241.19516	8.6
243.21034	10.3
249.14824	4.4
253.19479	3.7
255.21042	3.3
259.20596	15.3
261.22122	23.5
267.21130	3.0
269.22556	4.1
269.58466	2.6
273.22015	5.0
275.23361	2.7
277.21686	8.2
285.22208	8.2
289.21646	7.8
291.23203	5.4
301.21527	6.5
303.23264	15.7
313.21603	6.6
315.23053	5.7
319.22629	4.1
327.23203	5.3
331.22580	5.6
341.24698	4.9
345.24301	5.7
351.23300	10.2
369.24307	30.6
387.25366	29.2
405.26389	37.9
405.34967	7.4
406.82999	2.9
406.88287	3.3
423.27420	32.5
423.36368	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	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25536	2.7
53.03946	11.9
55.01871	8.2
55.05520	30.6
56.45702	2.7
57.03437	10.4
57.07074	5.5
66.01338	2.9
66.88686	2.9
67.05509	98.7
69.03433	21.9
69.07067	34.1
70.60603	9.9
71.05002	15.3
73.02920	8.1
79.05497	72.5
79.05866	2.2
81.03424	25.1
81.07063	100.0
83.04986	9.1
83.08627	16.3
85.02903	10.6
85.06547	4.1
89.65026	3.4
91.05489	55.6
93.07050	82.8
95.04971	11.2
95.08615	78.7
97.02896	68.1
97.06533	6.2
97.10165	7.2
99.04463	31.9
103.03952	4.4
105.07032	43.2
107.04941	5.5
107.08598	60.7
108.88515	2.7
109.02888	14.1
109.06531	8.3
109.10168	46.6
111.04417	5.4
111.08069	6.5
111.11662	3.0
115.05445	4.5
117.07011	20.5
119.08582	37.7
121.10152	43.9
123.04493	3.5
123.08051	9.0
123.11704	19.0
125.09615	4.9
127.03895	22.6
129.07007	10.6
131.08589	30.2
133.06494	6.4
133.10135	32.0
135.08066	5.4
135.11690	33.9
137.09595	5.0
137.13278	18.6
141.07045	3.2
143.08585	12.2
145.04976	8.0
145.10127	27.7
147.11725	19.2
149.13245	18.4
151.07564	3.3
151.14859	3.4
155.08623	5.1
157.10175	11.1
159.11687	22.0
161.13283	12.8
163.11261	3.9
163.14801	6.1
166.66956	2.9
169.10103	8.6
171.11697	12.0
173.09665	4.7
173.11929	4.0
173.13261	15.0
175.14867	9.4
179.14268	3.7
183.11720	4.3
185.09682	4.0
185.13275	9.5
187.14830	13.0
189.16273	4.4
191.17950	4.3
197.13205	4.1
199.14810	4.9
201.16319	5.0
203.14247	3.2
211.14795	3.8
215.18086	4.2
241.19522	5.4
243.21155	10.2
259.20547	7.4
261.22147	28.2
262.77722	3.2
275.19977	4.3
275.23767	3.0
277.00821	3.0
277.21689	3.4
285.21985	5.7
291.23160	5.0
303.23218	7.6
315.23318	3.9
331.22733	3.4
341.24652	3.7
351.23126	8.2
353.28403	4.9
369.24313	19.6
387.25461	18.3
405.26266	19.5
405.35205	7.7
423.27142	25.1
423.36240	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	423.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.05508	33.0
57.03447	13.8
57.07069	11.1
59.04998	2.5
67.05505	19.2
69.03426	4.4
69.07069	50.1
69.26460	23.7
71.05012	2.7
71.08627	7.7
79.05490	12.0
79.44855	2.3
81.07069	30.3
83.04990	3.6
83.08624	30.9
85.10201	3.6
85.53055	2.7
86.61328	2.2
91.05473	12.8
93.07047	23.5
95.08604	34.7
96.51238	2.8
97.06537	7.8
97.10179	17.5
105.07037	18.6
107.08599	24.3
109.10178	24.9
110.71929	2.5
111.08102	4.5
111.11748	5.5
112.57846	2.4
113.00020	86.8
117.07047	6.6
119.08572	25.5
121.10137	20.1
123.08160	3.6
123.11710	10.6
125.05999	2.9
125.09647	2.9
131.08562	8.3
133.10114	13.8
133.84943	2.6
135.11688	10.9
137.13190	4.9
143.08560	7.7
145.10106	11.2
147.11697	6.7
149.13239	5.8
157.10150	9.2
159.11694	14.0
161.13239	4.7
163.14819	3.5
169.02618	69.4
169.10109	4.2
171.11697	6.0
173.13290	6.8
174.07393	3.4
175.14850	5.1
177.16429	2.8
183.11758	6.6
185.13289	7.6
187.03688	2.9
187.14824	5.7
189.16315	4.3
197.13329	4.5
197.56917	2.9
199.14847	6.1
201.16431	4.1
203.17949	3.2
211.14740	3.5
213.16331	3.9
213.66556	2.9
223.14767	3.2
225.16292	3.3
227.17964	5.4
229.19566	4.4
237.22113	3.2
243.17444	3.7
249.56366	2.7
295.20663	6.6
297.22162	4.4
309.94958	2.7
311.25909	100.0
312.32816	2.6
334.27188	6.8
349.25598	3.5
405.31262	24.0
423.27075	5.7
423.32227	17.9
423.36310	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	423.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	5.9
55.05272	2.5
55.05515	33.8
57.07084	20.3
59.05001	4.2
61.02903	3.0
65.54430	2.4
67.05505	7.5
69.03443	27.3
69.06728	4.6
69.07073	54.4
69.25092	4.2
69.25491	21.4
70.06596	4.5
71.05004	3.2
71.08637	18.0
73.06548	5.0
74.42397	2.9
79.05487	8.2
81.03432	13.5
81.07049	11.7
82.29374	2.9
83.04987	5.6
83.08625	100.0
85.02913	39.9
87.00851	21.2
87.08040	2.7
88.12013	2.5
91.05465	9.4
93.07047	10.9
95.04950	7.0
95.08604	10.1
97.02918	14.3
97.06537	3.2
97.10174	16.0
98.20766	5.0
99.04443	8.4
105.01876	24.2
105.07043	14.2
107.04985	3.5
107.08575	11.7
109.02863	11.9
109.06490	3.0
111.04437	4.0
117.07004	7.4
119.08590	13.3
121.10111	5.0
127.03933	24.3
128.06168	3.3
129.05490	3.8
129.06975	5.0
131.08553	7.9
133.06488	4.4
133.10132	4.3
135.08003	3.5
139.14813	23.6
142.07744	6.1
143.08539	6.9
145.04971	5.9
145.06560	3.6
145.10112	8.4
147.06471	3.2
147.08018	8.1
147.11717	3.3
149.05995	2.6
149.09674	4.0
155.14207	2.9
156.09373	3.0
157.10149	10.0
157.15889	65.6
159.08022	4.9
159.11676	7.2
161.06000	3.2
161.09645	3.5
163.07571	3.9
167.07089	2.6
167.08551	3.8
169.10112	7.8
171.11699	9.1
173.09641	5.1
175.16902	4.8
183.07983	3.4
183.11670	10.0
185.13269	4.9
187.07585	2.9
187.11200	3.6
189.09229	3.0
193.10046	3.2
195.11708	5.2
197.09636	2.9
197.13297	3.5
197.68318	2.9
199.11130	5.5
201.12573	3.6
207.11742	5.5
209.13347	4.5
211.11232	3.7
213.12703	3.9
217.12238	3.5
221.13405	3.0
227.10509	3.8
229.12311	2.8
231.05035	7.2
231.55389	3.3
233.06593	6.9
233.13263	4.5
235.14793	3.4
237.12903	2.8
243.13968	3.3
245.13101	2.6
247.14716	4.2
262.17703	2.7
263.14359	3.2
303.17270	3.5
307.16788	3.1
349.17828	5.4
350.15317	3.0
363.19357	6.0
405.20715	12.8
423.21667	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2163
Annotation	6alpha-Fluoro-17-hydroxycorticosterone 21-acetate
Peak:m/z	Relative Intensity
53.03938	1.7
55.01860	2.7
55.05505	4.3
57.03455	1.2
57.07075	2.5
65.03925	1.0
67.05504	13.7
68.67486	0.9
69.03440	2.1
69.07059	5.4
69.28186	2.6
69.28607	5.8
79.05487	10.2
81.03405	1.9
81.07055	15.6
81.89445	0.9
83.01324	1.0
83.04979	2.8
83.08617	3.7
84.12492	0.9
84.34366	0.8
90.92142	0.9
91.05476	13.4
93.07043	13.6
95.04956	4.6
95.08611	13.3
97.06521	2.2
97.10156	1.1
103.05465	2.0
105.07028	16.5
107.04957	1.8
107.08589	11.8
109.02892	1.0
109.06517	4.3
109.10155	10.3
111.08046	2.0
115.05453	3.2
116.06242	1.0
117.07019	7.2
119.08583	18.5
121.06487	3.4
121.10158	6.2
123.08099	2.5
123.11706	1.7
128.06215	3.7
129.06998	5.7
131.04938	1.9
131.08572	12.9
133.06493	4.1
133.10132	10.6
135.08066	7.0
135.11703	4.4
137.05977	1.3
137.09543	1.7
137.13297	1.2
138.05972	0.9
141.06999	2.7
142.07814	4.1
143.08560	12.0
144.09245	1.2
145.06523	4.3
145.10133	10.4
146.07239	1.6
147.08058	9.4
147.11699	3.6
149.05980	1.0
149.09613	4.7
149.13249	3.1
151.07587	0.9
153.07036	1.1
153.12755	0.9
155.08554	7.0
156.09315	5.6
157.06639	1.0
157.10129	15.8
158.07251	1.7
158.10788	0.9
159.08051	9.1
159.11702	8.3
160.08768	1.2
161.05994	2.0
161.09631	6.0
161.13240	1.6
163.07538	3.6
163.14795	0.9
165.06987	2.9
166.07782	1.3
167.08629	2.5
169.10138	10.0
170.10951	3.6
171.08092	2.9
171.11676	13.7
173.06035	1.5
173.09604	7.4
173.11926	1.0
173.13213	4.5
175.07530	2.8
175.11153	4.5
177.09164	3.2
179.08557	2.2
180.09288	1.1
181.10052	6.0
182.10883	1.8
183.08093	3.1
183.11716	11.5
184.08841	1.9
185.09613	4.4
185.13223	6.1
187.07579	3.0
187.11214	5.8
187.14801	2.1
189.09120	2.7
189.12750	1.5
192.09235	2.1
193.10068	5.3
194.10980	2.6
195.08012	1.5
195.11688	8.5
195.13312	1.1
196.08807	2.6
196.12434	1.6
197.09596	4.2
197.13330	5.6
198.10315	1.0
199.11166	8.3
199.14900	1.8
200.11899	1.3
201.09119	1.8
201.12801	3.8
203.10658	1.1
205.10141	2.3
206.10919	3.0
207.11653	7.8
208.12436	1.9
209.09633	3.9
209.13245	7.3
211.11215	5.4
211.14838	3.0
213.12759	6.9
215.10669	2.2
215.14291	2.1
216.09267	1.1
217.10220	2.4
217.12149	1.8
218.10925	1.4
219.11684	5.0
220.12430	1.8
221.09679	1.4
221.13202	5.5
222.10390	1.2
222.13988	1.7
223.11211	3.6
223.14828	5.1
225.09099	1.5
225.12759	3.6
227.10678	2.2
227.14359	1.8
229.10201	1.4
229.12242	1.6
230.10860	1.2
231.08047	1.1
231.11665	4.2
231.13834	3.5
232.12418	2.1
233.13266	5.5
233.15240	1.1
234.14014	1.0
235.11136	2.5
235.14775	5.9
236.11987	1.1
237.12721	2.5
237.16415	3.5
238.13458	1.6
239.10709	1.1
239.14381	2.6
239.17944	1.2
241.12289	1.4
241.15791	1.3
243.11720	1.9
243.13908	1.3
244.12541	1.8
245.13252	2.9
246.10397	1.1
246.14091	1.7
247.11208	2.9
247.14798	6.3
248.11938	1.9
248.15689	1.5
249.12794	3.0
249.16457	4.0
250.13556	1.8
251.14241	1.8
251.18079	1.8
255.11716	1.2
255.17409	2.2
256.12531	1.8
257.13364	2.1
258.13940	1.9
259.14920	2.8
260.11899	1.0
260.15698	2.1
261.12723	2.3
261.16406	2.8
262.13654	1.3
262.17325	1.4
263.14386	3.5
263.17917	2.6
265.16025	2.5
265.19589	1.3
267.17416	1.3
270.10562	1.0
270.13904	1.7
271.11151	1.2
272.12155	1.1
272.15567	1.5
273.12683	1.2
273.16324	3.2
275.14175	1.1
275.17914	1.7
277.15820	2.7
279.14063	1.1
279.17435	1.9
281.15417	1.0
285.12775	1.1
285.16266	1.1
287.14346	2.0
289.15833	2.7
291.14020	1.0
291.17493	2.7
293.15402	1.3
293.18985	2.0
299.14340	1.1
301.12531	1.1
301.15964	1.7
303.13977	1.6
303.17505	3.9
304.18271	1.0
305.15457	1.9
305.18930	1.3
307.16895	2.1
309.22067	1.4
313.15829	1.9
315.17358	1.3
317.15488	1.8
317.18985	1.6
319.16943	2.7
321.18494	3.5
322.19360	2.2
329.15390	1.7
329.18930	1.4
331.16888	4.5
333.14835	3.2
333.18481	2.3
335.16568	1.2
337.17905	1.1
339.19611	2.4
340.20233	1.9
343.16919	1.0
345.14832	1.3
345.18497	4.7
347.16446	1.6
347.20294	1.3
349.17761	4.7
351.16046	1.2
357.18613	2.3
358.18924	1.0
359.20026	4.7
361.17981	3.9
363.15576	1.6
363.19571	3.5
373.18253	1.3
375.19559	5.4
377.21188	4.9
379.19046	1.2
385.53683	0.9
387.19553	8.7
387.30280	2.2
391.19073	1.8
393.20657	1.4
405.15747	1.8
405.20621	23.1
405.25748	1.9
405.31271	8.5
423.21686	100.0
423.26459	6.7
423.32779	12.9
424.22150	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92506	0.8
53.03959	1.9
55.01867	1.4
55.05507	2.2
57.07079	1.3
62.30513	0.8
64.77869	0.9
67.05503	3.5
68.50072	0.8
69.03435	2.5
69.07063	1.0
70.06602	1.1
70.59896	2.0
70.60242	1.6
78.04720	3.7
79.05500	5.0
81.03422	2.8
81.07047	4.7
83.04990	1.0
85.02911	3.8
85.06548	2.5
86.09761	1.1
91.05489	4.8
93.07051	2.5
95.04985	2.4
95.08601	2.7
97.02922	2.4
97.06528	1.6
99.04460	1.6
99.08097	1.5
103.05505	4.7
105.07053	7.0
106.04181	1.7
106.51035	0.8
107.04960	7.6
107.08624	1.7
109.02912	2.5
109.06575	1.0
109.10185	3.8
109.19744	1.0
111.08109	2.0
115.05489	2.8
117.07051	2.0
119.08595	5.5
121.06542	3.0
121.10150	2.3
123.04460	6.8
123.08069	1.9
123.11720	1.1
124.05209	2.9
125.06026	1.1
127.03906	5.2
128.10757	2.0
128.53198	0.8
129.07002	2.0
131.04941	7.3
131.08563	2.4
133.06525	5.6
133.10164	2.4
135.08049	2.3
135.11678	2.3
137.05997	3.7
137.09677	1.7
139.07616	1.1
139.11176	0.9
141.07033	1.5
145.05016	1.2
145.06503	3.3
145.10126	1.6
147.04356	2.2
147.08075	2.1
151.03908	2.1
151.07561	3.9
152.04730	1.7
156.10219	2.5
157.06464	1.3
157.10484	2.7
158.07329	1.6
159.08000	2.2
161.05998	6.2
163.06256	1.5
163.07568	12.8
167.07053	100.0
168.07533	1.2
173.05960	1.3
173.09636	1.7
173.13330	1.6
175.06050	1.4
175.07559	22.8
175.14844	1.2
177.09177	2.0
179.07056	2.3
181.08595	5.0
187.07578	2.1
193.08626	15.5
193.15923	1.0
201.09149	2.4
205.08595	1.5
207.10133	1.1
213.04092	1.6
219.10274	1.6
227.08232	1.1
233.11787	2.6
237.11185	1.8
241.09727	1.0
242.10716	1.2
255.11229	1.3
256.12155	1.0
263.10803	1.0
279.72891	0.9
283.10916	1.4
283.17148	1.0
285.09433	1.2
301.11743	1.6
323.12802	2.2
352.73126	1.0
355.15576	4.3
373.10641	1.0
396.59500	0.9
405.12424	1.4
423.12885	2.6
423.19940	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2015
Annotation	2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
Peak:m/z	Relative Intensity
51.02376	0.5
53.03946	0.8
53.65299	0.5
55.05498	0.6
67.05497	0.8
69.03429	0.7
71.55957	0.9
72.08161	0.7
78.04704	3.4
78.55022	0.5
79.05492	3.7
81.03373	0.6
81.07074	1.3
84.04518	0.7
85.02906	0.7
91.05506	2.4
93.07030	1.3
95.04958	1.4
95.08614	0.8
103.05462	4.4
103.17677	0.5
105.07034	4.9
106.04149	1.9
107.04958	7.2
115.05502	2.6
117.07035	1.2
119.04948	0.5
119.08545	0.7
119.90659	0.5
120.08121	0.7
121.06521	1.4
121.10103	0.6
122.03683	0.6
123.04433	8.0
123.08030	0.9
124.05244	2.6
128.06230	0.6
129.07043	0.8
131.04938	6.6
131.08578	1.3
132.05637	0.6
133.06487	5.9
133.10095	0.7
134.03609	0.6
135.04514	1.0
135.08035	1.4
136.06166	1.0
137.05951	3.3
141.07013	1.3
143.04872	0.5
143.06018	0.5
143.08580	0.5
144.05719	1.4
145.06520	2.6
145.10098	0.6
147.04381	1.2
147.08040	1.2
149.05965	0.9
151.03891	1.2
151.07553	3.0
152.04684	2.7
157.06473	0.6
158.07262	1.6
159.08035	1.3
161.05994	6.2
163.07555	14.0
167.07043	100.0
168.07542	1.5
169.08098	0.6
172.05176	0.7
172.33368	0.4
173.05992	1.1
173.09598	0.7
175.07549	1.8
177.05580	0.5
177.09149	2.5
179.07031	2.5
180.23189	0.5
181.08582	3.4
187.07565	3.3
189.05354	0.4
189.09171	0.6
193.08615	15.5
201.09160	1.8
203.06909	0.5
205.08604	1.4
207.10101	0.9
217.08615	1.1
219.10144	2.2
233.11720	2.5
237.11240	2.2
263.10529	0.5
295.13202	0.7
323.12833	2.0
355.15390	4.2
387.18237	1.4
423.20767	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06136	1.1
53.03942	2.4
67.05508	2.3
69.03436	3.4
69.07066	5.0
69.69840	3.2
69.70246	5.4
71.05001	3.3
75.08107	1.3
78.04704	3.4
78.21818	1.3
79.05470	6.8
81.03420	3.3
81.07065	3.5
85.02930	3.3
85.06534	2.3
91.05496	4.2
92.08080	1.4
93.07078	2.9
94.02882	1.2
95.04972	3.2
95.08579	3.3
97.02912	2.6
97.06555	2.2
99.04434	2.4
103.05485	3.8
105.07010	7.3
107.04955	7.9
107.08581	2.4
109.02876	2.9
109.06490	2.3
109.10154	2.0
111.08080	3.2
112.08348	1.5
113.06009	3.3
115.05509	2.2
115.07584	3.0
116.53059	1.3
117.07081	1.7
121.06506	2.2
121.10170	1.7
123.04430	7.2
123.08111	1.6
124.05207	2.8
125.06052	1.7
127.03906	1.7
129.06985	2.0
131.04942	4.7
131.08591	2.0
133.06500	3.6
135.08043	2.3
137.05954	4.5
137.09711	1.5
139.11153	2.3
145.05014	1.5
145.06543	3.0
147.04309	1.8
151.03879	2.0
151.07544	2.7
152.04715	2.3
153.05449	1.7
161.05995	6.1
163.07530	13.1
167.07057	100.0
173.07135	5.0
175.07492	1.6
177.09171	1.6
179.07056	3.2
180.04813	1.5
181.08643	4.2
187.07591	2.9
189.09134	1.5
190.13191	1.7
192.07787	1.8
192.58496	1.4
193.08603	16.1
200.13655	1.6
201.09113	1.7
205.08569	2.1
213.10271	3.0
215.11873	1.5
219.10193	2.1
225.14818	3.3
226.15233	4.0
227.08200	3.1
227.11801	2.0
233.11708	3.1
237.11217	2.3
241.09734	6.7
242.10626	7.9
243.11221	4.0
255.11261	4.9
256.12134	6.9
257.12805	1.9
261.12372	1.7
281.08969	2.1
283.10782	5.8
284.11676	3.2
285.09726	1.8
301.11743	4.5
302.12714	6.6
323.12875	2.5
328.06351	2.1
355.08463	1.6
355.15317	3.6
363.40637	1.6
370.07355	1.7
405.11655	6.9
423.12042	8.6
423.21024	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.6
55.05521	8.2
57.07078	2.0
59.04995	2.1
67.05508	18.0
68.99788	2.2
69.03429	8.4
69.07072	11.6
71.04977	3.9
71.55262	1.2
79.05480	6.0
81.03419	20.6
81.07057	17.2
83.04977	14.8
83.08622	4.5
84.08185	0.9
85.02908	9.7
85.06529	2.9
86.27705	0.9
87.00833	1.8
91.05480	5.4
93.07050	11.8
95.04949	2.9
95.08613	27.6
97.02895	100.0
97.06518	1.9
97.10165	1.3
99.04457	4.3
99.08073	2.2
105.07021	9.5
107.04961	1.2
107.08599	20.2
109.02885	38.0
109.06533	9.2
109.10161	74.8
110.10490	0.9
111.08071	4.0
117.07021	1.5
119.08582	34.2
121.06506	1.1
121.10139	11.5
123.04385	1.9
123.08070	14.7
123.11715	5.1
125.09650	1.2
127.03925	56.5
131.08618	2.1
133.06467	1.2
133.10138	16.3
135.11697	78.5
137.09628	14.2
138.10417	2.0
139.11179	3.4
141.09111	1.1
143.08540	1.6
145.04884	1.4
145.10094	2.9
147.08032	1.1
147.11702	1.8
149.05980	2.1
149.09561	1.9
149.13243	4.3
151.03893	1.2
151.11188	8.8
151.14825	9.6
153.12752	1.3
155.08620	1.0
157.10143	1.3
159.11638	1.4
161.09639	1.2
163.07553	1.7
165.16403	2.9
167.07094	6.2
169.10149	0.9
169.74579	0.8
173.13255	0.9
175.14832	32.9
185.13222	1.1
191.32169	1.0
193.15886	62.9
211.16934	48.7
212.17395	1.2
213.03938	19.1
215.14378	1.1
217.12248	1.5
225.12874	1.0
243.13840	1.1
257.12943	1.0
301.18115	1.7
319.19092	1.3
337.79410	0.9
397.21637	1.0
405.19846	1.2
423.20657	4.0
447.29636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.4
55.05513	3.0
57.03442	3.2
61.02940	12.9
61.12144	1.6
67.05471	1.8
69.02592	1.8
69.03429	17.4
69.07053	1.9
69.77042	12.0
70.06576	7.5
70.14512	2.1
71.04990	5.4
72.08141	2.6
73.02900	2.3
74.10493	1.8
79.05492	27.0
81.03432	15.8
81.07041	8.0
83.04974	2.7
84.04502	4.3
84.08143	2.9
85.02913	82.3
86.09697	4.1
87.04489	3.1
91.05473	3.5
92.00448	1.8
93.07044	21.4
95.04974	2.7
95.08577	2.3
97.02895	21.6
97.06557	14.9
98.21484	3.6
99.04463	37.1
103.03951	93.6
105.06967	2.9
108.08139	3.6
109.02888	18.6
109.10165	2.7
111.04436	6.1
119.08604	2.6
120.08080	3.5
121.06495	5.5
121.10129	2.4
123.04357	1.8
123.08030	2.9
127.03926	100.0
129.05482	3.9
133.10109	3.0
136.07581	3.5
139.03944	2.3
139.06506	3.8
139.07553	51.0
140.29730	2.1
145.04964	60.2
147.04445	2.5
157.04993	3.7
157.08617	44.3
163.06047	44.1
175.06001	4.1
175.09673	2.4
182.08250	2.0
187.06023	3.5
205.07057	3.9
207.13846	2.5
213.37520	2.7
270.40503	2.0
271.08075	4.8
273.12097	2.4
282.16971	11.3
289.09161	4.1
293.11591	2.4
301.09305	3.6
301.12686	3.0
307.10251	10.2
327.09680	3.3
345.10745	2.5
355.09259	4.9
405.12628	7.6
423.12924	11.8
423.18771	3.1
441.98734	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
55.05505	1.6
57.07067	1.1
58.99568	1.1
61.01145	8.1
67.05511	1.8
67.43440	0.7
69.03434	1.7
71.04964	3.4
72.04524	10.9
72.93693	0.8
73.02926	2.6
73.58662	0.8
76.02252	1.9
76.76617	0.8
78.03788	15.7
79.05495	1.5
81.03413	2.9
81.07064	2.2
83.04988	3.8
84.08155	1.5
85.02914	11.0
85.06541	1.2
86.06072	2.0
88.02231	4.8
91.05481	1.1
93.07060	2.0
95.04977	1.8
97.02915	1.5
97.06548	1.5
98.02443	1.8
98.06046	1.3
99.04478	5.7
99.05590	4.1
99.08086	1.0
100.02204	0.9
101.06017	0.8
102.03774	23.8
103.02187	2.9
103.03303	1.3
103.03951	15.7
105.07049	1.2
109.02892	6.2
111.04465	1.2
111.08128	0.8
112.07592	0.9
113.06035	2.0
114.03757	2.6
114.05560	2.0
115.07587	0.8
118.03239	0.9
119.08594	1.1
120.04782	3.8
120.08868	0.8
121.06513	0.8
124.07604	2.0
126.05521	17.1
127.03934	8.3
130.08629	0.7
131.06387	14.7
132.04802	13.1
132.05725	1.6
133.06514	1.2
136.07492	0.8
139.03949	1.0
139.11191	0.9
141.06610	1.8
142.08669	4.6
142.45197	0.7
145.05002	2.2
146.02719	1.1
147.11656	0.9
149.07449	44.9
151.11118	0.8
152.07065	1.8
154.08664	1.9
155.07143	0.8
156.06587	1.1
157.04958	0.8
158.02727	1.5
159.05905	2.7
163.07570	1.6
167.07040	5.8
175.05414	3.5
180.06578	12.7
184.09758	2.3
186.05824	1.0
186.09167	1.5
193.08638	1.5
198.07701	3.3
208.14165	0.9
211.08824	1.0
214.08696	1.0
214.10504	1.0
216.08678	2.3
225.10269	1.1
225.14935	2.1
226.15224	4.0
231.11586	3.0
239.08157	1.1
240.08961	1.2
241.09660	2.5
242.10080	2.8
243.11447	1.4
244.11777	1.7
257.09512	1.7
258.12509	1.0
259.10760	2.3
260.11237	1.3
261.12775	4.0
263.07422	1.6
275.10712	2.1
284.11386	1.2
286.12762	1.5
293.11667	100.0
299.10104	1.5
301.11899	1.0
302.12115	2.8
309.08820	1.1
318.14124	2.3
327.09821	6.3
344.97803	0.8
345.10898	3.1
363.10226	0.9
387.11929	3.3
405.12485	8.3
405.17117	33.0
423.13889	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	423.165
Annotation	Ixerin Z
Peak:m/z	Relative Intensity
53.03930	0.9
54.40760	0.8
55.01870	1.6
55.05496	0.8
57.03447	0.7
61.02911	0.8
67.05520	3.2
69.03432	4.7
69.07056	2.8
69.51019	2.7
69.51442	1.6
75.25084	0.6
79.05476	2.7
81.03423	5.5
81.07048	2.4
83.04995	0.9
85.02908	7.6
91.05476	5.2
93.07029	2.0
95.01315	1.9
95.04973	10.3
95.08592	1.5
97.02905	3.3
97.06539	1.2
100.31751	0.6
105.07043	3.1
107.08604	0.8
109.02848	2.1
109.06516	1.0
109.10162	0.9
111.04482	1.0
115.05438	1.3
117.07005	2.0
117.20593	0.6
119.04945	1.0
119.08590	6.0
121.06478	1.0
121.10134	0.9
127.03908	2.5
128.06216	2.8
129.06985	5.1
131.04887	1.7
131.08568	4.5
133.06505	1.4
133.10120	0.7
135.08044	0.7
137.05931	0.7
141.07011	5.6
141.09099	0.7
142.07758	2.6
143.08572	8.9
145.04979	0.6
145.06497	4.1
145.10104	2.8
147.04413	0.9
147.07997	1.2
147.11655	0.8
148.26688	0.7
149.05980	1.1
153.06985	2.2
154.07790	5.0
155.08577	5.2
156.09358	10.7
157.06516	1.2
157.10117	2.7
158.07236	1.2
159.08052	4.0
159.11703	2.9
161.05968	1.0
161.09639	0.7
165.05482	3.6
165.07002	3.2
166.07811	4.3
167.07095	0.9
167.08517	2.2
169.06461	4.5
169.10130	11.3
170.10887	0.8
171.08113	3.6
171.11702	7.4
172.08813	0.8
173.09608	3.0
175.07587	0.8
179.07112	1.1
179.08556	4.4
181.10117	4.7
182.07220	3.9
182.21698	0.7
183.08089	3.6
184.08839	1.8
185.09650	1.7
187.07550	9.3
187.11203	2.7
197.05943	2.6
197.09621	15.1
198.10362	1.3
199.11211	7.7
201.09117	1.2
207.08009	1.1
215.07037	5.2
215.10648	5.1
225.09088	4.3
233.11728	0.8
243.10184	32.2
261.11230	100.0
262.11551	1.0
363.15781	0.7
385.68753	0.6
423.17697	2.3
423.25150	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
56.05040	2.4
67.05507	0.8
69.03422	0.5
69.07057	0.7
70.06580	0.7
70.35379	1.5
74.06086	8.0
79.05484	0.6
81.03442	0.8
81.07053	1.0
84.04516	0.7
84.08142	0.6
85.02921	1.3
86.09712	100.0
87.10064	0.4
91.05484	1.4
93.07056	1.0
95.08550	0.4
98.06060	0.8
103.05467	0.7
105.07053	0.8
107.08616	0.5
109.06522	0.5
116.07111	1.4
119.08611	0.7
120.08117	13.3
120.08949	0.9
121.10168	0.5
126.05540	6.0
127.03950	0.7
133.10173	0.6
138.74362	0.4
139.11220	0.8
144.06561	0.7
147.08072	0.5
161.57059	0.4
166.08661	7.2
174.36870	0.4
195.11320	3.3
211.14514	1.3
215.14253	0.5
225.63162	0.5
233.16490	0.5
239.13919	15.1
257.15118	1.0
279.17041	12.2
288.10318	0.5
360.19397	1.9
404.21454	0.6
422.20737	0.8
422.25595	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03419	0.4
65.03966	0.6
69.03417	1.3
70.06595	55.6
71.55103	0.6
72.08150	1.4
74.00658	0.7
76.02208	0.7
76.04006	1.1
80.14877	0.4
81.03399	0.6
81.07058	0.9
84.04513	2.6
84.84248	0.4
85.02904	3.4
85.04018	0.8
86.09692	0.6
92.01701	0.6
93.03451	0.7
97.02906	1.2
97.06513	1.0
97.17871	0.4
98.09686	0.5
99.04478	0.5
99.05585	1.8
100.07603	1.3
103.03915	0.5
105.03415	1.0
109.02837	0.8
111.04477	1.2
112.04007	0.6
116.07095	100.0
120.08073	1.0
123.04434	0.8
125.06017	1.4
127.03926	1.5
130.05005	4.5
131.04532	1.1
137.05969	0.8
139.03897	0.7
145.05019	0.8
145.06122	1.9
147.04401	0.9
149.03835	0.6
151.03984	1.0
165.05548	0.9
169.04959	2.2
176.75722	0.4
177.03293	5.9
179.09282	0.4
181.04912	0.8
194.70058	0.5
195.04414	0.4
197.08174	0.8
199.09927	0.5
213.05980	0.4
232.07065	0.5
243.08623	3.4
275.10675	0.9
288.06476	1.1
298.33716	0.5
306.07526	2.4
350.61169	0.4
422.11261	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	14.7
61.02926	1.5
64.56768	1.3
65.03946	10.9
66.11064	1.3
66.24927	1.2
69.03428	4.7
69.07053	1.3
69.89831	3.2
69.90237	3.8
70.06598	12.5
71.04962	1.5
72.08135	1.3
75.04490	8.0
81.03416	3.9
82.06564	2.3
85.02493	1.6
85.02913	15.4
92.08231	1.2
93.03413	27.7
95.04944	1.9
97.02898	6.7
98.06070	12.0
99.04440	2.5
100.07615	5.9
102.10589	1.1
103.03928	2.7
105.07024	1.7
107.04917	1.6
107.28939	1.7
109.02860	3.6
110.03667	5.3
111.04451	24.9
116.07101	66.2
117.55121	1.3
123.04490	1.8
125.05997	33.4
127.03961	6.3
135.08044	2.3
145.04979	2.3
147.04460	1.6
151.03917	26.8
151.05103	2.3
154.02586	11.1
163.07515	2.2
169.04970	100.0
170.05205	1.2
207.06479	1.6
223.76370	1.2
225.07611	5.3
242.09229	1.7
243.08644	82.1
390.52121	1.5
422.23483	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	21.9
57.07069	26.7
59.76340	2.7
67.05486	10.3
69.07074	31.5
69.69352	2.8
71.08633	14.4
75.56470	3.1
79.05466	4.7
81.07070	17.8
83.04979	32.9
83.08596	15.0
85.10184	8.2
89.06014	10.2
91.05464	6.0
93.07036	12.1
95.04950	3.4
95.08617	20.6
97.10165	6.8
105.07032	8.7
107.08585	9.4
109.06516	6.9
109.10143	12.2
109.93325	2.9
111.08053	3.5
111.11770	6.5
119.08556	8.5
120.67293	3.2
120.79921	3.0
121.10125	6.3
123.08060	12.0
123.11700	7.3
133.08595	5.3
133.10153	4.9
135.08060	9.7
135.11688	6.1
137.05980	23.7
137.09592	3.5
137.13268	4.3
139.07536	12.0
147.11620	6.2
151.07524	8.2
151.11159	4.2
155.07039	8.6
161.09645	14.5
161.13304	3.9
165.09100	4.5
165.12718	4.6
171.04910	3.0
174.10472	3.3
175.11116	7.7
176.53430	3.7
189.12796	7.9
193.12282	5.0
203.14224	4.1
207.13736	7.5
221.15247	3.5
233.45273	3.0
311.54782	3.4
346.36316	3.3
375.36240	21.6
385.34647	10.8
403.35730	100.0
421.36847	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3675
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
55.05516	17.2
57.07078	15.9
59.01219	1.2
67.05501	6.9
68.53314	1.5
69.07072	24.2
69.48530	7.8
70.14314	1.3
71.08630	12.4
79.05479	2.4
79.46748	1.3
81.07059	16.0
83.04987	27.6
83.08617	12.7
85.10172	5.3
89.06036	4.4
91.05508	3.2
93.07045	7.0
95.04955	1.9
95.08624	15.6
97.10184	8.9
99.04424	1.5
105.07018	5.7
105.43465	1.3
107.08585	4.5
109.06503	3.7
109.10151	8.4
111.08086	3.8
111.11724	2.2
119.08590	6.5
121.06471	2.9
121.10121	4.3
123.08053	6.3
123.11718	5.2
125.06017	2.4
131.08583	2.0
133.08601	2.5
133.10152	4.1
135.08067	3.7
135.11694	3.0
136.88689	1.2
137.05975	18.8
137.09605	3.6
137.13248	1.4
137.65266	1.4
139.07541	6.2
145.10074	1.5
147.11702	4.8
149.09677	1.5
151.07578	2.4
151.11186	2.2
155.07034	6.4
157.81471	1.6
161.09630	9.5
161.13258	3.2
165.09100	3.5
165.12737	3.3
175.11211	6.3
175.14757	2.2
177.12679	2.4
179.10710	3.7
189.12799	6.1
193.12228	2.6
207.13733	2.0
274.68945	1.5
298.56195	1.4
357.35178	1.8
375.36188	15.1
385.34689	6.9
403.31274	0.8
403.35742	33.2
421.36783	100.0
422.37375	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	421.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56060	2.3
52.83170	2.6
54.07119	3.2
55.05513	15.1
57.07077	17.3
63.96375	2.6
67.05495	5.8
69.07066	25.3
71.08635	10.1
71.56094	4.5
71.69013	2.7
79.05476	3.4
81.07065	14.8
83.04985	25.1
83.08627	11.9
85.10174	7.4
87.77901	3.3
89.06035	8.2
91.05483	4.1
93.07061	3.9
95.04982	3.3
95.08633	17.4
97.10159	7.8
105.07021	7.4
107.08613	6.1
109.06522	5.1
109.10169	8.7
111.08099	6.3
119.08602	7.3
121.10204	3.4
123.08086	6.9
133.10132	6.5
135.08128	4.1
137.05986	16.9
137.09616	4.6
139.07558	6.3
149.09554	4.3
151.07561	8.4
155.07060	5.4
161.09634	10.7
165.09065	3.9
175.11200	6.0
179.10667	3.3
189.12794	4.8
199.35043	3.2
207.13844	3.5
245.19093	3.9
288.40482	3.2
375.36246	15.0
385.34628	9.6
403.35751	29.5
421.36789	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46959	2.3
55.05520	10.2
55.70544	2.0
57.07063	8.8
58.93144	1.8
61.50154	1.8
65.04471	2.4
67.05509	19.4
68.27502	1.9
69.07072	25.3
71.08640	3.3
71.56727	2.4
73.02898	2.2
79.05495	13.3
79.09264	2.1
81.07067	29.0
83.04963	2.3
83.08624	7.2
89.06033	5.5
91.05488	13.2
93.07053	25.7
95.08616	40.7
97.10178	5.0
98.98521	2.8
105.07030	22.4
107.08595	45.3
109.10166	39.0
111.08075	2.9
117.07035	6.6
119.08590	27.7
121.10139	23.4
123.08080	4.7
123.11711	15.1
125.09643	6.3
129.06992	5.7
131.08594	11.4
133.10136	23.7
135.11687	20.0
137.13284	4.6
143.08583	9.5
145.10146	24.0
147.11699	19.9
149.13272	9.4
155.01010	5.0
155.08606	2.9
157.10112	15.5
159.11697	22.8
161.13210	16.1
163.14813	4.3
169.10124	4.6
171.11681	11.1
171.13896	4.2
172.14095	3.3
173.13278	12.7
175.14868	6.6
182.27782	2.7
183.04187	5.7
183.11699	4.4
185.13281	9.1
187.14832	12.4
189.16362	10.5
191.17931	19.2
195.11731	3.1
197.13292	7.4
199.14830	9.4
201.16376	9.1
203.17953	8.6
211.14780	6.1
213.16393	9.4
215.14444	2.5
215.17915	6.0
217.15817	3.5
217.19490	3.1
225.16446	5.1
227.17970	5.7
229.19498	7.0
231.17509	4.3
237.16263	3.0
239.17920	3.5
241.19475	6.2
243.21025	5.3
253.19505	2.4
255.20990	5.0
257.22400	2.5
265.19534	4.0
267.20966	4.1
269.22687	4.4
279.21149	2.9
281.22708	4.2
295.24191	13.2
297.22498	2.9
297.25769	30.5
305.71808	2.3
313.25162	2.8
321.25760	2.7
333.25580	2.8
339.26730	6.3
347.27130	3.1
351.27231	2.2
365.28348	3.2
379.29971	2.5
393.35413	4.2
403.33420	13.7
421.26163	4.0
421.34659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	7.7
57.07083	6.2
67.05512	13.1
69.07071	14.1
70.20288	2.9
71.08639	1.2
79.05498	3.4
81.07063	20.0
83.05002	1.2
83.08622	6.2
91.05479	3.6
93.07058	7.7
95.08611	24.7
97.10155	2.0
99.08104	1.8
103.05449	1.9
105.07011	7.1
107.08615	10.4
109.06499	1.1
109.10162	26.3
111.11707	1.2
117.07058	1.9
119.08584	8.2
121.10150	9.3
123.08076	6.0
123.11693	8.1
125.09630	1.7
129.07031	1.6
131.04933	2.4
131.08574	6.2
133.10147	7.4
135.08072	1.0
135.11687	4.4
137.13266	22.9
143.08572	2.8
145.10123	8.2
147.11731	5.1
149.13258	3.7
151.14793	1.8
155.08566	2.2
157.10126	6.2
159.11714	6.8
161.13234	5.7
163.14836	2.2
169.10153	3.3
171.11687	5.4
173.13351	6.6
175.14822	3.3
177.16385	1.9
181.10153	1.5
183.11728	5.7
185.13188	4.6
187.14845	6.6
189.16394	1.6
195.11703	2.3
197.13297	3.8
199.14824	5.0
201.16437	2.7
203.14352	1.6
203.17987	1.6
205.15874	1.3
209.13329	3.9
209.47543	1.0
211.14873	3.1
213.16400	3.9
215.17972	2.3
223.14844	3.1
225.16530	3.3
227.18024	2.8
229.15887	1.1
229.76604	0.9
235.14796	2.0
237.16489	1.2
239.18031	2.0
241.19524	1.8
245.19058	1.1
249.16414	0.9
251.17952	2.0
253.19600	2.3
255.21364	1.1
257.19034	1.4
259.20551	1.1
263.17963	1.7
264.18961	1.0
265.19577	2.4
267.21048	1.2
269.19122	1.3
269.22635	2.0
273.22232	1.7
277.19556	1.3
279.21097	2.1
281.22665	1.0
283.20563	5.3
283.24075	1.7
285.22256	1.7
291.20966	1.8
293.22559	1.5
295.20691	1.8
296.34131	1.1
297.22278	3.1
309.22113	2.5
311.23688	7.2
319.24176	1.4
321.25897	1.7
323.23886	1.4
329.21304	1.5
333.25714	3.0
335.27283	3.3
339.26901	2.2
347.27106	1.6
351.26840	7.1
365.28513	5.1
373.28528	1.2
388.31299	1.2
403.25168	1.3
403.33621	15.0
421.34702	100.0
422.35019	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	421.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	9.4
57.07055	4.1
57.28424	1.1
60.77088	1.0
65.03945	1.2
67.05508	21.1
68.81421	1.0
69.06721	1.5
69.07075	19.8
69.38991	9.1
71.08627	2.6
71.86616	1.0
79.05519	5.2
81.06593	1.3
81.07066	25.7
83.08628	6.5
85.10184	1.5
89.06062	1.3
91.05486	5.9
93.07047	13.0
95.04980	1.1
95.08619	30.1
97.06510	2.6
97.10185	3.1
99.08097	2.3
105.07042	11.8
107.08605	21.8
109.06483	1.8
109.10162	40.9
111.08064	2.6
117.07005	3.0
119.08593	14.7
121.10162	14.9
123.08057	5.0
123.11728	10.2
125.09625	2.5
129.06990	1.2
131.08598	6.9
133.10143	13.8
135.11746	6.0
137.09573	2.8
137.13300	6.6
139.59688	1.1
143.08592	7.2
145.10123	15.0
147.11690	9.1
149.13243	5.6
151.11218	2.4
155.08528	2.9
156.09399	1.4
157.10146	11.9
159.11700	14.0
161.09608	1.4
161.13290	10.0
161.47429	1.2
163.11092	1.4
163.14850	6.7
168.09293	1.3
169.10095	5.6
170.10962	1.9
171.11682	11.4
173.13295	12.3
175.11189	1.5
175.14818	4.5
177.12740	1.5
177.16365	1.5
181.10002	1.2
183.11714	6.8
184.12459	1.6
185.13290	9.7
187.11118	1.4
187.14859	7.2
189.12752	2.1
189.16342	3.0
193.10088	1.1
195.11699	3.5
197.13287	6.5
199.14832	8.4
201.12834	1.2
201.16341	2.9
203.17813	1.6
209.13240	5.8
210.14085	1.3
211.14879	5.5
213.16353	7.4
215.14221	1.2
215.17838	2.0
217.15900	1.9
217.19484	1.6
223.14804	4.6
225.16377	5.3
227.14163	1.5
227.17949	4.5
229.15923	1.8
231.17513	3.4
237.16400	2.2
239.17894	3.1
241.19499	3.3
243.17451	2.2
245.19073	1.8
249.16388	1.4
251.18042	2.0
253.15811	1.6
253.19412	2.6
255.17413	3.3
255.21205	1.6
257.19012	2.8
257.22772	1.6
259.20602	1.7
265.19495	2.2
267.17508	1.4
267.21082	2.4
269.19028	4.6
269.22452	6.1
271.20560	2.8
279.17651	1.1
279.21011	4.6
281.18939	1.7
283.20572	4.2
283.24023	2.5
285.22089	3.7
290.62869	1.3
293.22543	3.2
295.20554	4.9
295.23904	1.5
297.18875	1.7
297.22208	22.1
297.25513	2.2
309.22058	4.9
309.25708	2.3
311.23517	3.7
313.25165	1.7
321.25629	1.4
323.23758	2.2
333.25589	2.5
335.27380	6.4
337.25198	3.1
339.26901	1.4
347.27051	1.4
351.23047	1.3
351.26788	7.1
353.28259	2.2
355.41092	1.3
365.28491	5.5
393.31476	3.1
403.29669	4.9
403.34299	7.4
421.35156	100.0
422.35147	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	421.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
54.81967	1.2
55.01858	1.5
55.05516	9.2
57.07074	8.6
58.53284	1.2
64.04811	1.2
67.05508	20.6
69.03416	1.7
69.07074	21.3
69.58137	8.6
75.74243	1.3
79.05497	11.4
81.03382	1.3
81.07057	60.9
81.09079	1.2
83.04958	4.0
83.08614	6.0
85.06561	1.7
91.05474	9.7
93.07056	15.8
95.04979	7.3
95.08048	2.4
95.08609	31.1
97.06528	2.5
97.10153	3.2
99.08100	2.1
105.07035	16.5
107.04942	2.5
107.08596	19.6
109.06517	1.6
109.10161	23.4
117.07016	3.8
119.08586	21.4
121.06493	3.7
121.10149	25.5
123.08083	8.3
123.11713	100.0
124.14565	1.3
125.09627	4.3
129.07034	3.8
131.08591	9.1
133.10139	14.8
135.08020	2.0
135.11681	8.6
137.09616	2.0
137.13222	3.1
139.07571	1.5
142.07729	1.4
143.08583	8.2
144.09242	1.8
145.06474	1.8
145.10115	10.8
147.11684	11.9
149.09616	1.5
149.13277	4.7
155.08540	2.6
156.09387	1.9
157.10123	12.7
159.11697	14.1
161.13251	7.2
163.11172	2.2
163.14838	2.2
169.10149	3.8
171.11655	10.6
173.13235	10.0
175.14833	18.8
177.12767	4.1
177.16380	5.4
181.10136	2.6
183.11705	5.3
185.13316	8.0
187.11130	2.3
187.14833	7.7
189.12717	5.1
189.16432	3.9
191.14229	1.9
195.11754	3.2
196.12462	2.6
197.13292	5.1
199.14861	6.6
201.16339	9.1
203.14307	3.1
205.15881	1.5
209.13181	2.9
211.14835	13.0
212.15674	1.4
213.16373	17.2
215.17966	4.1
223.14847	3.7
225.16412	6.8
227.14250	2.7
227.18010	6.5
229.15883	4.2
229.19458	2.2
231.17436	2.3
237.16402	2.4
239.17996	5.5
241.16031	6.4
241.19624	3.3
243.17467	3.5
245.19011	15.7
251.17989	2.8
253.19615	2.9
255.17372	2.7
257.18964	1.6
267.21033	1.8
269.19073	2.2
269.22556	2.4
271.20648	2.6
279.21106	3.1
281.22662	8.0
283.20709	1.7
283.24237	3.6
285.22287	1.7
293.22839	1.9
295.20569	3.3
297.22156	20.6
299.23718	30.3
309.22122	3.6
311.20346	2.1
311.23703	11.0
323.23895	1.8
325.25308	3.9
329.20990	9.4
335.27322	3.6
337.25119	3.2
337.28891	1.4
347.22253	2.4
351.26834	2.1
353.28256	2.4
365.28415	5.8
403.24902	8.9
403.33551	3.7
421.26215	11.0
421.34659	95.7
421.69971	1.6
422.34924	2.0
431.44092	1.4
444.81299	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.5
57.07076	7.0
58.44313	2.5
59.62903	2.6
67.05511	15.1
68.72161	2.8
69.07075	26.7
71.55709	4.2
71.65154	2.7
79.05502	10.6
81.07071	27.5
82.01477	2.8
83.08626	6.5
89.06046	4.1
91.05477	9.5
92.05941	2.4
93.07053	14.7
95.08620	29.5
105.07028	23.6
107.08622	33.4
109.10174	27.4
117.07082	5.3
119.08590	24.0
121.10156	20.5
123.11731	12.8
125.49995	2.7
131.08585	13.0
133.08578	4.6
133.10153	26.0
135.11696	14.8
137.09642	3.6
143.08586	5.6
145.10149	23.6
147.11699	17.1
149.09558	4.5
149.13271	7.6
157.10144	8.0
159.11719	24.4
161.13298	12.9
163.11241	6.4
171.11610	3.8
173.13336	13.1
175.11377	4.2
175.14873	7.2
177.16406	4.1
183.11778	4.0
185.13303	7.1
187.14828	10.5
189.16441	6.0
191.17986	5.1
197.13359	3.6
199.14783	7.9
201.16402	22.7
203.17992	7.1
211.14906	3.9
213.16357	7.6
215.17975	7.8
219.17523	3.9
227.18079	4.3
229.19374	4.4
238.84073	2.9
241.19560	3.8
283.24399	3.3
295.24298	3.9
297.22656	3.0
297.25769	12.0
351.27130	4.8
365.28351	5.1
403.33420	7.4
421.23773	3.8
421.34711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.5
55.05509	9.6
67.05500	33.3
69.07079	9.3
70.79256	16.0
79.05485	23.4
81.07067	40.4
90.45797	7.9
91.05474	34.4
93.07050	27.2
95.04971	29.8
95.08607	45.0
97.10146	10.8
104.95146	7.4
105.07016	35.4
107.08614	24.5
109.10162	25.9
117.07024	11.7
119.08582	57.8
121.10165	21.4
129.07016	16.9
131.08559	22.7
133.10112	14.8
135.11739	10.5
142.07848	9.7
143.08583	23.7
145.10143	21.0
146.92876	6.3
148.17647	7.3
149.09659	35.4
157.10060	18.0
158.02129	7.1
158.81915	6.7
159.11719	17.3
163.11179	7.3
169.10143	26.3
171.11696	7.8
175.07579	8.2
175.11293	7.5
175.14806	16.9
183.11725	18.9
185.09686	7.9
185.13295	11.1
189.16373	11.8
194.04375	7.4
197.13187	17.9
213.12769	7.5
225.16432	8.9
229.10306	8.9
231.17398	11.0
235.14861	9.1
241.19536	8.7
247.14853	20.4
257.19730	7.4
258.14084	8.8
259.14771	14.3
273.16467	8.7
275.14050	8.4
281.19843	9.2
281.22562	42.4
283.14532	7.7
283.27838	8.7
285.16147	8.8
287.14304	15.3
291.13708	10.2
299.23691	48.2
301.15863	17.8
303.17520	9.9
317.24774	43.3
329.15320	14.2
329.21066	29.3
343.17047	20.9
347.16293	23.4
361.18008	41.9
375.19598	13.3
377.17557	36.0
389.17618	15.3
397.84689	8.2
403.18991	17.3
403.24442	12.6
421.20041	100.0
421.25549	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	421.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39218	1.8
53.03942	5.2
55.01880	9.7
55.05513	25.8
57.03422	8.7
59.04984	3.3
62.53259	2.0
65.03929	6.2
67.05180	3.6
67.05508	58.4
69.03412	7.3
69.07079	15.4
69.19656	4.8
69.20064	18.1
71.05006	4.7
79.05497	36.7
81.03042	2.1
81.03431	21.7
81.07062	36.8
83.04978	6.9
83.08612	13.2
85.02898	2.5
85.06544	5.6
91.05483	50.1
93.07054	34.6
95.04974	58.2
95.08612	29.1
97.02889	2.7
97.06487	4.4
97.10201	9.9
97.10712	2.2
99.62031	1.7
103.05453	3.5
104.37940	2.1
105.03361	2.5
105.07030	29.9
107.04962	20.7
107.08605	17.9
109.06523	7.3
109.10155	30.9
109.65200	1.9
111.08064	5.6
115.05421	3.2
117.07022	22.0
119.04919	5.9
119.08588	42.3
121.06508	27.5
121.10167	13.1
123.08056	9.0
125.09618	9.3
126.84793	1.9
128.06212	6.7
129.07008	19.0
130.07713	3.9
131.04947	4.2
131.08572	23.6
133.06516	9.9
133.10144	15.2
135.04393	2.4
135.08047	10.7
135.11691	5.6
137.09625	9.5
139.11171	3.2
141.06975	8.1
142.07805	6.4
143.08554	15.7
145.06493	7.3
145.10104	15.9
146.01312	2.1
147.08044	15.8
147.11638	5.8
149.09618	9.2
153.06989	2.6
154.07741	3.4
155.08524	7.3
155.10614	2.4
156.09290	3.9
157.06479	4.1
157.10132	22.3
159.08043	10.1
159.11665	13.3
161.05975	8.8
161.09612	11.8
163.07570	4.3
163.11205	11.6
165.06929	3.4
166.07761	2.4
167.08589	6.6
169.10153	13.6
170.10872	5.0
171.08049	5.8
171.10298	3.0
171.11592	10.9
173.09602	7.6
173.11806	4.5
173.13164	2.4
175.07469	3.8
175.11168	9.6
177.09091	2.2
177.12718	5.0
179.08528	3.7
181.10097	6.8
183.08093	3.7
183.11722	15.9
185.09607	10.3
185.13174	9.5
187.07668	2.5
187.11185	5.8
189.09033	6.8
189.11185	6.8
193.10304	4.3
193.12236	11.1
195.11726	8.3
197.09537	4.3
197.13197	5.8
198.10268	3.1
199.11238	10.0
201.12767	3.7
203.10677	11.0
203.12656	4.5
205.12267	5.7
206.10895	4.2
207.11768	4.8
208.12523	2.5
209.09714	3.3
209.13292	4.3
211.11234	4.0
213.12798	10.6
215.10619	3.4
215.14308	2.9
217.10211	4.1
217.12144	3.3
218.10751	3.4
219.11682	3.2
220.12398	3.4
221.13249	6.9
223.11235	3.6
223.13206	4.6
225.12724	4.1
227.10706	3.7
229.10219	2.8
229.12244	2.8
230.10869	3.6
231.11618	6.3
231.13724	6.8
232.12607	2.7
233.13211	4.9
233.15269	2.9
234.13919	2.8
235.11166	3.2
235.14902	4.4
237.12737	3.1
239.14343	2.3
241.12273	2.8
243.11710	4.9
244.12395	4.0
245.13269	5.1
246.13991	3.0
247.11313	3.3
247.14810	3.9
248.11801	2.8
249.12617	2.2
249.14880	7.9
256.12494	2.1
257.13266	7.9
258.14105	4.1
259.14899	6.0
263.14252	3.0
265.15616	2.8
269.13120	4.1
270.14035	2.7
271.14920	3.4
273.16205	2.6
277.15918	2.8
283.14661	3.4
286.13733	2.4
286.16919	2.6
287.14078	4.3
290.59924	2.3
301.12363	3.3
301.15869	5.6
301.21674	6.7
302.16650	2.3
303.17487	3.5
305.15079	2.9
311.20071	15.8
315.13931	3.5
315.17404	3.7
317.15390	2.7
319.16943	3.7
325.15765	2.5
328.14453	2.3
329.15198	8.3
329.21140	82.7
333.18436	4.7
343.16931	11.2
345.14713	2.5
347.16501	11.3
347.22656	9.6
357.18362	6.2
361.17975	16.8
367.22485	2.9
371.16476	4.5
375.19510	10.1
377.17374	3.8
385.18298	4.0
385.23840	7.4
389.17441	4.8
393.20648	4.2
403.19009	26.9
403.24710	57.1
421.19952	100.0
421.25803	98.6
422.20490	4.1
422.25809	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01862	0.9
56.96297	0.8
56.96566	12.1
57.03445	2.3
61.02691	0.4
61.02930	3.9
67.05477	0.6
69.03434	8.3
69.07054	1.2
69.79913	1.8
69.80339	0.7
70.06592	1.3
70.98096	0.8
71.04992	1.2
71.95260	0.4
73.02921	2.6
74.97622	0.4
79.05460	0.4
81.03416	2.7
82.06569	0.7
83.01357	0.6
84.08134	0.7
84.96040	4.6
85.02911	17.7
86.03228	1.1
86.06052	0.5
86.09708	0.8
87.04454	1.9
88.50428	0.4
91.03956	1.6
95.02453	0.5
95.06107	4.5
96.33315	0.4
97.02898	7.8
97.06524	1.1
98.03219	0.6
98.06014	0.6
98.20820	0.8
98.97586	39.0
99.04445	1.4
99.97962	0.5
100.02195	1.0
100.07608	0.5
101.00875	1.9
102.96918	0.6
105.03382	0.9
109.02874	1.9
110.96828	1.0
110.97572	16.5
111.04431	0.4
112.05177	0.5
112.99146	5.7
113.00868	0.7
113.03523	0.8
113.07133	6.8
115.00697	1.0
116.98628	11.5
119.01935	2.5
119.04894	0.6
120.01919	0.7
121.01653	0.6
124.99135	3.5
125.05997	1.0
126.97061	0.8
127.00678	7.2
127.01546	0.6
127.03935	5.2
128.04277	0.5
128.97685	0.7
128.98616	12.5
131.00215	3.1
131.01877	1.7
133.01675	1.2
133.03467	0.6
134.99670	2.0
139.00694	1.1
139.04042	0.5
140.98611	2.1
143.00171	8.9
143.01822	2.1
144.98117	1.4
145.01733	10.9
145.02946	0.6
145.03488	1.6
145.04956	5.2
146.02667	1.5
146.08101	1.1
146.99646	5.0
147.03268	0.6
147.04401	2.0
149.01231	0.8
152.98619	1.5
155.00175	0.9
155.01912	1.2
155.03781	0.6
156.02148	0.5
157.01740	3.9
157.03433	0.9
158.03542	0.6
158.98608	0.3
158.99672	8.9
159.03288	0.8
159.04987	0.6
161.01228	6.1
161.02953	2.6
162.99173	0.9
163.02765	5.5
163.03920	0.9
167.01863	0.5
169.01773	0.6
169.03468	1.5
170.99692	6.2
171.03340	0.6
171.05057	0.6
172.94403	0.8
172.97580	1.0
173.01253	2.2
173.02950	1.2
174.99136	0.9
175.02795	3.9
175.04280	0.7
177.00722	5.9
177.04163	0.6
177.05522	1.5
179.02261	1.2
182.99652	0.7
183.03381	0.5
185.01202	1.7
185.02995	1.7
185.06593	0.8
187.02785	9.7
187.04517	4.3
188.04739	1.7
189.00763	4.6
189.04277	0.7
190.04797	0.6
191.02235	1.4
193.03900	0.7
196.04111	0.6
197.01157	1.1
198.97691	0.5
199.02782	6.1
200.04585	0.5
201.00700	11.1
201.02660	0.9
201.04352	3.4
203.02257	3.7
203.04047	1.5
205.00200	0.8
205.03801	5.6
205.05533	0.5
207.01707	0.6
210.06155	0.5
211.02786	1.2
213.00761	0.5
213.04335	1.2
215.02325	1.4
215.04166	0.6
216.98747	1.3
217.03831	6.7
217.05754	0.6
219.01776	64.3
219.05324	1.7
220.02042	0.7
221.03238	0.6
221.05112	2.0
223.02890	3.2
223.04776	0.8
227.13864	4.3
229.03810	3.4
229.05791	0.9
229.56467	1.7
230.06046	1.3
231.05400	3.0
232.96429	0.9
232.99728	0.7
233.03284	1.2
235.04816	1.3
235.53970	0.5
237.02835	57.9
238.03125	0.6
241.03755	3.5
242.03447	1.4
245.05069	1.4
247.01288	0.7
247.04771	2.1
248.04881	0.5
253.03764	1.1
254.55750	0.5
255.03966	1.7
258.99814	0.6
259.04819	4.0
259.06985	0.7
259.12891	2.8
259.16553	9.7
260.04364	0.8
261.02808	9.8
261.08304	0.5
263.04446	0.6
269.05978	0.9
270.99841	1.2
271.04843	3.3
271.07404	0.4
275.00858	0.7
275.04062	0.7
276.07352	1.0
277.05841	1.3
279.03848	8.5
285.07996	0.7
289.05948	37.2
293.05402	1.4
293.10709	0.5
295.07169	1.2
301.05875	2.4
305.05310	0.6
307.03616	0.9
307.07010	11.8
313.07703	1.3
314.07974	0.8
319.07034	23.1
319.10428	0.9
323.06519	1.2
330.08768	0.5
335.06445	1.1
337.08102	11.5
337.11719	1.0
361.08038	40.3
362.08362	0.5
379.09128	100.0
380.09338	1.5
381.09839	0.5
393.10843	0.7
402.10818	2.2
409.10239	1.1
421.10199	25.2
421.22168	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	420.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.05515	3.4
56.05037	3.3
67.05510	8.2
68.05019	2.2
69.07072	2.8
69.25722	3.8
69.26131	0.9
70.06597	54.1
72.08149	0.6
79.05493	6.1
79.61676	0.5
81.07069	6.5
83.04969	0.7
83.08629	1.0
86.06068	8.4
88.07633	1.0
91.05500	3.6
93.07053	8.9
95.04950	0.8
95.08617	4.9
96.08111	2.6
98.06052	0.6
107.04925	0.4
107.08583	3.6
109.10151	1.8
114.04711	0.9
114.05537	24.1
114.09174	29.4
117.06957	0.6
119.08579	1.8
121.10136	3.2
131.08533	0.7
133.10115	0.9
135.11687	1.5
142.08644	58.4
145.10109	0.9
160.09703	90.1
161.10097	0.6
233.68828	0.6
319.26303	2.6
337.64240	0.5
374.30591	1.8
420.31104	100.0
421.31180	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	420.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.01878	2.6
55.05503	3.4
57.03427	4.6
58.03763	1.4
59.04995	2.6
60.32582	1.0
60.38637	1.0
61.02942	2.2
67.05505	3.2
69.03432	7.8
69.07060	2.0
70.06605	2.2
71.04990	3.0
73.02943	1.6
74.02448	1.1
79.05493	3.4
80.37865	1.0
81.03425	6.1
81.07059	5.0
82.06575	1.9
83.04959	3.0
83.08604	1.1
85.02499	1.4
85.02917	15.6
85.03384	1.9
85.06544	1.4
88.01180	1.0
91.05482	4.2
93.07063	9.0
95.04975	2.5
95.08598	6.1
97.02888	4.3
97.06502	1.3
99.08082	1.7
103.03953	3.5
105.01876	1.1
105.07014	5.4
107.08591	6.5
109.02902	3.1
109.06499	3.3
109.10158	3.2
110.06052	1.5
113.06013	1.2
116.07079	2.6
119.08586	4.2
121.06512	10.9
121.10152	49.9
123.04427	1.4
123.08096	2.9
126.03766	2.1
126.09135	2.2
127.03912	5.0
128.04266	1.1
133.10130	3.4
135.08084	1.8
135.11688	9.2
136.06218	13.9
136.12029	3.3
137.09625	44.7
143.07098	1.9
145.04956	2.7
145.10109	8.1
147.04422	4.3
147.11655	1.8
149.05995	15.4
153.12750	2.3
154.08633	11.1
154.13095	3.5
155.10696	2.1
159.11697	4.9
163.11201	8.4
165.09084	3.1
167.07066	3.5
171.13739	2.0
172.04362	1.6
172.06027	1.2
172.14122	1.8
175.11177	1.7
177.12762	2.3
181.12267	1.5
182.05228	1.2
187.11209	1.9
191.96419	1.2
205.12254	10.7
223.13309	100.0
241.14372	2.9
305.87772	1.4
316.08719	1.1
316.14063	2.5
334.14966	2.3
342.39304	1.2
385.18622	17.8
402.16745	1.3
420.18185	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	419.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16175	0.5
57.07053	0.8
65.93695	0.5
67.59264	0.5
70.60470	1.6
71.08601	0.7
71.22492	0.5
78.73952	0.5
79.25875	0.5
90.33952	0.5
92.99387	0.5
99.00822	0.7
99.04456	3.4
111.04457	3.0
112.71799	0.6
125.05167	1.0
125.06001	9.7
141.05475	4.2
149.02312	0.7
153.05475	100.0
159.11708	0.6
167.07071	1.1
170.44017	0.6
401.05139	0.6
419.35229	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01861	9.4
55.05496	8.8
57.32911	2.8
61.02908	5.3
67.05485	7.6
69.03421	11.5
69.92566	14.2
71.04989	2.9
79.05473	5.1
81.03410	3.5
81.07043	8.0
83.04987	23.2
83.08627	6.8
84.04526	2.4
84.08146	5.7
85.02910	40.0
85.06560	5.4
91.05454	13.3
93.06480	3.7
93.07047	66.5
95.04949	10.5
95.08601	29.5
97.02872	8.2
97.06538	8.7
99.04459	4.1
105.07037	61.5
107.08575	9.1
109.02862	6.6
109.06516	9.3
111.08076	28.3
113.06004	6.4
116.78146	2.5
117.07030	4.4
119.08578	6.4
121.06477	15.4
121.10153	5.2
125.05971	3.4
127.03867	8.8
129.05435	2.6
131.08531	3.2
133.10129	5.0
135.08063	4.6
135.11659	6.5
136.11900	2.7
137.05963	5.4
139.07515	11.8
141.81108	2.3
145.04941	5.7
147.11699	70.7
149.05992	4.2
149.13245	6.0
153.09077	2.8
159.11664	32.6
161.09653	4.9
167.07036	12.3
175.11142	11.6
177.12767	42.4
179.10684	6.2
182.66449	2.9
187.11192	3.9
193.12254	3.1
195.13815	8.6
205.12241	26.4
223.13310	100.0
223.15465	5.7
258.16949	2.8
273.12604	5.2
287.67841	3.3
402.26358	3.0
420.16260	3.8
420.27377	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	419.3309
Annotation	8'-apo-beta-Carotenol
Peak:m/z	Relative Intensity
55.05516	5.0
57.07056	1.7
67.05510	8.1
69.07069	7.7
71.08636	1.6
79.05514	4.8
81.06583	1.4
81.07056	16.0
83.08615	4.3
90.47308	0.9
91.05486	5.2
93.07045	9.4
95.04966	1.2
95.08615	17.2
97.10165	1.8
105.07043	10.9
107.08597	16.3
109.06503	1.9
109.10165	19.4
111.08038	1.0
117.07011	3.3
119.08600	11.6
121.10145	9.3
123.08078	3.5
123.11749	6.5
129.06979	2.3
131.08578	5.8
131.09401	0.9
133.10155	8.9
135.11674	8.1
137.09669	1.2
137.13278	2.1
142.07811	1.2
143.08563	5.9
144.09337	1.3
145.10139	10.7
147.11697	5.6
149.13290	2.9
151.11250	1.4
155.01022	1.1
155.08540	1.4
156.09381	2.6
157.10139	7.7
159.11713	9.4
159.57524	1.4
161.13290	6.7
163.14882	1.3
167.08606	1.8
168.09438	1.0
169.10130	4.6
170.10867	1.7
171.11717	10.0
173.13266	6.3
175.14830	4.0
177.12769	1.2
181.10056	2.4
182.10936	1.3
183.11781	6.2
185.13300	4.6
187.14786	5.4
189.12796	1.3
189.16440	2.5
193.10327	1.3
195.11732	3.0
197.13275	5.1
199.14827	4.9
201.16394	3.3
209.13301	4.0
211.14818	6.3
213.16394	7.0
221.13249	2.1
222.13823	1.3
223.14865	3.4
225.16344	3.1
227.17941	2.3
229.19624	1.1
230.91298	0.9
231.17529	2.1
235.14790	2.0
237.16428	2.3
239.17938	3.1
241.19473	1.6
245.19107	1.4
248.15022	1.0
249.16429	2.1
251.18092	1.4
253.19490	2.7
257.18945	1.9
263.17822	1.2
265.19547	3.5
267.21182	4.3
277.19489	1.7
279.21204	2.1
281.19043	2.8
281.22635	1.2
283.20636	3.4
291.21085	1.1
293.22610	3.6
295.20599	3.5
295.24139	2.2
297.22137	2.8
309.22220	1.2
311.23700	4.4
317.22925	1.7
319.24451	1.2
321.22198	2.2
323.23737	1.2
333.25674	2.3
335.23630	2.9
349.25311	4.3
363.26810	2.7
377.28476	2.6
389.28415	1.2
401.31964	4.8
404.30591	1.5
419.33121	100.0
420.33447	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	419.2212
Annotation	Fluorometholone 17-acetate
Peak:m/z	Relative Intensity
50.91953	0.6
53.03944	1.3
55.01869	3.4
55.05505	1.3
58.74570	0.5
65.03922	0.8
67.05495	1.9
69.03417	1.7
69.07058	2.3
69.46594	3.6
77.03913	0.6
78.03777	0.5
79.05493	5.1
81.03416	5.5
81.07069	3.7
83.04995	0.6
85.06541	0.9
85.19759	0.5
91.05484	8.8
93.07050	4.3
95.01306	0.9
95.04968	4.8
95.08620	2.0
103.05492	0.7
105.07037	7.0
107.04944	2.9
107.08586	3.0
109.06499	1.9
115.05449	2.7
116.06218	0.7
117.07008	6.4
119.04976	1.0
119.08576	9.8
121.06509	2.1
121.10104	1.2
123.08073	0.6
128.06236	2.5
129.06993	7.0
130.07822	1.3
131.04968	0.7
131.08585	6.1
133.06487	1.7
133.10104	7.7
135.08070	1.7
141.07037	1.3
142.07784	4.0
143.08542	7.7
144.05721	0.7
145.06499	8.2
145.10138	5.4
147.08051	15.3
149.09612	2.2
153.07016	1.7
154.07822	0.8
155.08562	3.9
156.09320	3.8
157.06441	1.4
157.10130	10.8
158.07246	1.3
159.08055	11.8
159.11707	2.3
161.09642	8.3
163.11212	1.8
165.06989	1.2
166.07828	1.2
167.08536	1.3
169.10153	5.5
170.10899	3.0
171.08063	5.6
171.11697	13.7
172.08789	0.9
173.05971	1.6
173.09650	7.7
173.13235	1.3
175.07549	1.9
175.11234	1.3
179.08578	1.9
180.09358	1.0
181.06558	0.8
181.10057	3.2
182.10912	0.8
183.08026	2.9
183.11681	6.5
185.09633	7.9
185.13239	10.6
187.07620	1.0
187.11162	1.8
189.09126	1.9
192.09296	1.2
193.10202	3.0
194.10905	1.5
195.08133	1.3
195.11725	4.0
196.08723	1.0
196.81287	0.6
197.09586	3.7
197.13283	1.8
198.10461	1.4
199.07603	0.7
199.11186	7.2
201.09132	1.6
201.12730	1.7
203.08514	0.8
205.10184	1.6
205.12164	1.1
206.10919	1.7
207.11749	3.0
208.12465	1.0
209.09641	2.7
209.13263	3.1
211.11185	3.4
213.09172	1.3
213.12737	11.7
215.10577	0.9
217.10258	1.1
217.12273	1.6
218.10980	1.0
219.08041	0.7
219.11729	1.8
220.12538	1.8
221.09760	1.1
221.13289	2.1
222.10393	0.8
223.11182	2.9
223.14853	1.9
224.11981	0.7
225.09152	1.1
225.12787	2.2
229.10135	1.5
231.11745	1.9
231.13832	1.7
232.12431	1.1
233.09668	0.9
233.13237	2.4
234.14035	1.1
235.11177	2.1
235.14792	1.6
237.12785	3.5
237.16388	0.8
239.10727	1.2
241.12199	2.8
243.11786	2.8
243.13605	2.7
244.12489	1.4
245.13240	2.4
245.15440	3.9
246.14076	1.0
247.11186	2.4
247.14879	1.6
249.12741	2.1
249.16446	1.6
251.14345	1.8
253.12332	0.7
254.10832	0.8
255.11624	1.4
255.13921	1.0
256.12402	1.1
257.13251	2.0
258.14081	1.4
259.10968	1.2
259.13095	0.9
259.14883	2.1
260.11993	1.3
260.15540	0.5
261.12833	3.7
261.16660	0.8
262.13266	0.6
263.14310	1.5
265.12207	1.1
267.11563	0.8
269.13257	2.5
270.10547	1.1
270.13980	1.6
271.10980	1.3
271.15143	0.7
272.12006	1.3
273.12592	2.2
273.14948	5.2
274.13474	1.3
275.10818	0.8
275.14243	3.4
275.17334	0.6
277.12411	0.8
277.15906	1.6
279.13931	1.1
281.13168	0.7
283.11200	0.9
283.14740	1.7
284.12274	0.9
284.15607	1.3
285.12726	2.4
285.16095	0.9
286.13495	1.8
287.14389	4.2
288.15002	1.4
289.12225	2.1
289.15872	3.2
290.13129	0.9
291.13773	1.1
291.16986	0.8
296.11932	0.8
297.12851	4.1
297.15994	1.1
298.13391	1.6
298.16913	1.0
299.14316	2.3
299.17703	1.1
300.15033	1.0
301.12592	0.9
301.15912	3.9
302.13147	0.7
302.16544	1.1
303.14075	1.3
303.17407	1.8
304.17880	0.7
305.15320	1.0
311.14377	2.2
312.14978	2.6
313.15921	2.3
313.19296	0.9
314.16830	0.9
315.13950	0.9
315.17276	4.8
317.15396	1.7
317.19073	5.3
319.16928	0.7
325.15878	0.9
326.16638	1.1
327.13806	0.6
327.17319	7.5
328.18246	1.4
329.15292	2.8
329.19174	1.5
330.16071	0.8
331.16919	2.4
331.20569	1.8
339.13885	1.0
341.18994	5.8
343.17044	1.0
345.14484	0.8
345.18506	13.2
346.19223	1.6
357.18488	1.7
359.20114	10.4
361.18002	1.5
369.18491	3.5
387.19498	13.3
389.21112	2.9
391.22818	3.4
401.21097	7.9
419.22174	100.0
420.22476	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	419.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.2
53.08269	2.4
55.01867	5.9
55.05510	5.1
57.03442	74.7
57.07067	7.5
60.09462	2.1
61.02923	5.1
61.47454	2.2
67.05489	4.7
69.03433	23.2
69.07068	3.4
69.41795	17.9
71.04979	4.5
73.02906	3.7
79.05510	5.3
81.03423	22.7
81.07066	34.8
85.02914	55.8
85.06554	3.3
85.08588	2.1
87.00838	24.4
91.05515	6.0
93.07046	24.5
95.04981	4.0
95.08617	20.3
97.02900	29.0
97.06523	3.8
99.04459	10.2
99.08103	36.5
105.01885	20.3
107.08604	16.3
109.02885	22.9
109.10178	10.6
117.01866	4.2
117.88081	2.4
121.06530	2.7
121.10128	3.0
123.11701	2.2
125.09579	2.9
126.54488	2.1
127.03930	36.3
127.11179	6.2
129.01860	3.4
133.10153	3.5
135.11711	83.2
137.13258	6.1
145.04980	17.7
153.12766	100.0
155.14342	17.7
159.02885	16.1
165.05627	2.3
171.13794	18.5
177.12746	2.4
181.05084	2.8
188.92293	2.1
195.13795	3.0
231.05080	4.6
247.91992	2.1
401.16577	2.7
414.45648	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	419.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.6
57.03428	1.1
59.05003	2.0
59.32376	0.4
61.02935	3.4
69.03418	1.6
71.04995	3.8
71.51577	0.5
72.08138	1.3
79.05481	1.2
81.04546	48.0
81.07063	7.4
83.06104	1.3
85.02477	0.5
85.02917	3.3
86.09704	0.6
87.08115	1.2
89.64486	0.3
95.06069	0.8
97.02892	1.5
98.97543	0.5
99.04456	0.5
99.08105	0.6
111.05559	0.6
111.40814	0.4
113.09663	0.4
123.05553	0.6
127.05045	43.7
137.10732	3.4
141.06607	1.0
144.94916	0.4
145.05055	0.5
153.10272	0.6
161.10732	0.5
163.12329	5.2
179.11816	4.3
204.22664	0.4
207.11279	4.0
209.12866	0.6
211.14426	6.7
225.12363	12.2
237.02972	0.6
239.13965	3.3
257.14975	100.0
258.15320	0.9
329.89404	0.4
359.12100	1.4
409.59415	0.4
419.10236	0.8
419.15103	5.7
419.20242	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	419.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01884	5.9
55.05501	4.2
57.03428	4.4
57.07081	7.7
59.04993	4.9
61.02910	1.6
67.05514	7.5
68.99823	1.3
69.03079	1.8
69.03432	23.3
69.07079	7.1
70.11601	4.6
71.04988	2.8
73.02914	4.1
79.05509	1.7
81.03429	20.6
81.07063	5.2
83.08622	1.8
84.08114	1.1
85.02908	37.4
85.06550	8.0
87.00837	16.8
91.05444	2.2
93.07049	4.6
95.04960	1.9
95.08616	25.3
97.02893	15.7
97.06527	5.4
99.04469	7.2
99.08098	11.3
101.25535	1.3
105.01881	10.9
107.08591	7.6
109.02884	22.4
109.06531	5.0
109.10165	12.8
111.08096	6.1
113.09654	11.6
115.03947	1.5
117.01846	2.5
125.09658	1.1
126.95055	1.1
127.03928	30.2
127.11214	5.9
129.01852	1.4
135.11699	13.1
137.09590	1.3
137.13243	1.2
139.91655	1.1
145.04973	12.7
146.59801	1.0
147.02895	1.6
153.12753	100.0
155.14320	5.9
159.02914	13.9
171.13803	19.3
173.93436	1.1
177.12794	2.2
189.04048	1.3
213.04016	1.8
213.14851	2.0
231.05057	6.9
287.95004	1.1
365.15689	1.3
403.41705	1.3
419.18979	11.4
426.54462	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13117	2.1
53.03947	4.9
53.27776	2.0
55.01878	8.1
55.05517	3.3
57.03431	8.0
57.07077	19.9
59.05000	8.5
61.02921	4.7
67.05505	16.8
68.10043	2.1
68.99803	2.1
69.03435	32.6
69.07066	13.6
70.37195	8.2
71.04998	6.9
73.02917	6.7
73.06554	4.3
79.05500	4.4
81.03430	30.5
81.07067	11.9
83.04978	3.0
83.08636	4.9
85.02426	4.7
85.02914	64.1
85.06575	5.3
87.00835	28.0
91.05492	5.9
93.07055	9.9
95.04984	3.3
95.08614	77.6
97.02894	21.1
97.06532	9.5
98.20770	2.3
99.04451	13.4
99.08110	9.1
105.01852	16.1
107.04996	3.0
107.08595	14.9
108.24138	2.1
108.71415	2.1
109.02893	29.3
109.06551	5.9
109.10165	20.8
111.08112	8.2
111.11745	3.1
113.09650	47.5
115.03935	2.5
117.01893	3.9
119.08604	3.0
123.04459	2.5
125.09655	2.7
127.03925	52.8
127.11198	7.8
129.01884	4.8
135.11699	31.0
137.13269	7.5
145.04959	21.3
145.10150	2.5
147.02948	4.7
149.09711	2.8
153.09183	3.7
153.11504	5.2
153.12747	100.0
155.14330	25.5
159.02948	18.7
167.07068	3.1
171.13837	24.8
177.05609	3.8
191.07118	3.1
225.97926	2.2
231.05067	11.2
232.61652	2.2
262.53500	2.4
284.08722	2.3
315.14426	3.1
330.99384	2.8
387.11823	3.3
410.73224	2.4
419.19141	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	419.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12346	4.2
52.11087	4.3
53.03939	10.0
55.01870	9.5
55.05515	7.9
57.03447	6.6
65.03930	4.5
67.05511	8.1
68.99775	4.7
69.03423	16.9
70.06578	4.7
71.04992	11.4
71.55245	7.8
72.08126	4.9
79.05483	19.5
81.03405	13.7
81.07048	17.9
83.04976	14.2
84.08138	15.4
85.02916	28.9
85.48397	4.0
86.09697	10.6
87.00835	7.6
91.05479	10.7
93.07026	12.4
95.04953	12.2
95.08616	12.2
97.02887	21.5
97.06529	12.0
99.04463	7.7
99.08087	7.9
103.05482	5.0
105.01905	6.6
105.07031	16.2
107.04959	16.7
107.08582	10.2
109.02892	11.0
109.06538	4.3
109.10162	11.8
111.04417	9.6
111.08118	5.0
111.20262	3.9
115.05447	7.9
117.06976	5.9
119.08613	9.3
121.10159	14.6
123.04423	9.5
123.08088	4.3
124.05246	4.1
125.06006	11.3
125.09612	5.3
127.03924	24.3
127.11129	6.1
129.06998	5.1
131.04970	6.5
131.08585	14.5
133.06494	10.8
135.04443	6.8
135.08035	10.2
135.11674	10.1
137.05981	7.7
139.03903	5.4
141.12740	6.7
145.05002	11.6
145.06546	8.0
147.11655	4.3
149.05925	5.3
151.03911	5.8
153.05547	10.4
153.07080	5.3
153.09097	12.0
153.12680	27.9
155.14265	4.7
159.08093	7.7
161.05998	16.2
163.03905	4.9
163.25571	5.4
167.07050	59.6
171.06540	12.2
171.10181	6.8
171.13828	23.8
173.05983	6.1
177.05534	11.3
181.04936	15.9
187.07628	5.1
191.06932	8.0
193.08553	9.7
197.08189	5.6
205.08646	16.8
208.05246	14.2
217.08650	17.1
239.16428	5.2
247.09691	14.7
249.11273	8.2
269.08096	20.1
279.10056	4.4
282.08963	6.9
291.10150	7.7
307.09790	4.8
315.08582	70.8
323.12973	5.3
330.11002	100.0
337.10849	6.3
343.11819	9.5
351.12320	10.7
383.14923	20.6
401.16034	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	419.17
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
50.34399	3.6
55.01871	9.4
57.03420	8.3
67.05519	6.4
67.29606	3.7
69.03426	6.7
72.43424	3.8
73.02898	15.3
79.05487	16.5
79.80955	3.6
81.07053	8.3
85.02901	6.4
85.06541	5.8
91.05467	9.8
95.08606	6.8
97.02910	4.5
103.05452	4.7
105.07011	9.0
107.04951	23.5
109.10094	4.0
117.07021	9.6
119.08622	5.6
121.06581	5.1
123.04412	10.7
124.05197	4.7
127.03907	6.4
128.06229	3.8
129.07001	9.6
131.08568	11.4
135.04424	4.4
137.06009	7.7
144.05675	9.4
145.06465	11.9
147.04491	4.6
148.05220	4.7
149.05930	11.2
151.07478	3.9
155.06046	4.4
156.05695	7.6
156.39018	4.4
157.06526	4.7
159.08063	16.9
161.09802	4.8
163.07503	4.2
167.07039	84.3
169.07622	5.2
173.06003	13.5
175.07544	4.0
177.05478	9.2
181.04945	26.8
183.06514	13.0
187.07555	11.2
190.06349	6.2
191.07077	13.3
195.06503	4.0
204.07732	7.2
205.08630	23.8
208.05145	12.0
209.08160	21.2
217.08583	22.3
219.08211	6.9
219.10185	12.4
221.06117	4.8
236.04829	5.2
241.08302	4.2
247.07486	5.7
247.09689	12.3
249.11263	37.8
254.05664	9.6
263.07053	4.7
264.07867	4.5
269.08090	23.1
275.06970	8.1
282.05304	5.4
282.08774	6.6
287.05521	90.6
287.08655	3.4
291.10114	7.5
307.09702	5.6
310.08386	4.1
315.08658	69.3
323.12915	7.9
328.09622	4.5
330.10934	100.0
331.11566	6.4
343.11780	10.4
351.12186	12.7
369.13190	13.5
383.14844	24.1
389.16046	4.7
401.16110	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27567	4.5
53.03943	8.0
55.01875	24.6
55.05499	6.5
57.03436	5.8
57.33469	3.3
65.03921	6.7
67.05501	6.9
69.03426	10.0
69.07081	6.6
71.00340	8.4
71.00680	3.9
71.04987	7.0
79.05491	15.8
81.03424	9.5
81.07057	13.6
82.06627	4.6
83.05008	4.6
83.08615	8.7
85.02930	26.8
85.06517	11.4
86.09659	3.8
91.05465	13.8
93.07033	11.9
94.04252	3.6
95.04958	9.2
95.08601	12.8
97.02871	11.3
97.06551	4.7
100.07635	4.2
100.11243	17.7
103.05462	19.5
105.01863	6.0
105.07026	20.2
107.04949	27.0
107.08590	12.4
108.04452	4.0
109.02873	11.1
109.06519	6.4
109.10131	7.5
111.04552	3.8
111.08108	6.3
113.78055	4.2
114.09187	8.1
115.05454	8.2
117.07017	7.8
121.10177	4.4
123.04430	24.6
124.05177	6.5
125.05990	6.9
127.03913	14.4
128.06273	7.1
129.06979	9.4
131.04919	17.6
131.08568	14.9
133.06480	10.5
133.10057	5.6
135.08073	5.4
135.11711	9.4
137.06024	8.8
139.03848	4.3
141.06924	4.3
142.08624	6.4
143.08531	6.1
144.05740	8.1
145.04961	11.6
145.06445	5.3
145.10062	5.5
148.05243	5.4
149.05981	6.7
151.03906	5.1
151.07422	4.9
153.01869	4.7
153.05505	5.5
153.12741	7.2
155.06038	4.1
157.06497	3.9
159.08037	20.2
161.05969	14.0
161.09563	6.0
163.07524	8.7
167.07059	100.0
170.07349	5.7
171.06564	4.2
171.13841	5.1
173.05991	8.1
175.07471	7.6
177.05486	24.4
178.40805	3.9
181.04968	60.2
181.08565	6.1
182.15443	8.4
183.06537	21.0
187.07553	16.7
189.09016	5.4
191.07033	64.4
191.18024	5.6
193.08589	13.3
204.07788	11.8
205.06744	3.6
205.08623	10.8
207.06467	3.8
208.05208	12.7
208.07005	4.9
209.08093	54.1
210.14864	7.5
217.08565	12.1
218.09402	4.2
219.08139	8.6
219.10141	17.6
221.08023	7.2
221.19019	4.5
231.10146	14.9
247.07536	7.5
247.09763	12.2
249.11259	80.4
254.05707	6.6
257.07999	4.3
257.21152	4.9
263.06961	4.6
263.10629	6.2
265.10806	8.2
267.06540	5.5
269.07990	9.7
279.10010	5.0
295.09671	6.3
297.76770	4.0
307.09738	7.5
311.12753	4.3
313.10880	3.7
315.08612	30.8
330.11005	52.5
331.11292	3.5
338.00018	4.1
347.26547	6.7
351.12082	8.7
369.13513	22.9
383.15070	9.4
401.15985	40.3
410.79941	5.6
419.16858	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	419.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58968	0.8
69.03425	1.6
69.07075	0.9
70.79330	1.0
70.79667	1.9
73.62991	0.7
75.62120	0.7
77.63818	0.7
81.03413	1.0
84.08127	1.8
85.02895	2.8
86.09695	1.6
91.05465	1.4
95.04990	1.5
97.02875	1.5
97.06546	0.9
105.01855	0.9
105.06987	0.8
107.05000	1.0
111.04455	1.8
123.04443	0.8
127.03909	2.6
127.05017	1.4
129.25905	0.8
137.05974	4.2
139.03912	1.7
149.05998	1.2
153.09105	0.9
167.07021	1.2
171.06546	2.5
177.05437	2.2
178.05775	1.4
181.04929	1.0
193.04938	1.1
195.06625	1.0
206.22542	0.8
219.10086	0.9
225.07648	1.1
257.09259	1.4
275.11105	5.2
317.12021	0.9
341.68292	0.8
357.15170	9.6
359.13193	7.1
366.59659	0.8
401.13638	1.4
419.15173	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	0.7
70.06570	0.6
71.55553	0.6
72.52910	0.5
73.80282	0.5
78.30000	0.5
81.03428	0.6
81.07058	0.5
83.05006	0.7
84.08154	1.1
85.02914	2.0
86.09695	0.6
91.05503	0.9
93.07040	0.5
97.06503	0.5
105.01908	0.5
105.07032	0.8
107.04936	0.7
109.02875	0.5
111.04453	2.0
121.06514	0.6
127.03917	1.2
135.04414	0.6
137.05965	2.6
139.03976	1.3
140.27330	0.5
151.03909	0.7
152.07065	0.6
163.30402	0.5
167.07161	0.7
171.06548	2.4
177.05473	0.7
181.04907	0.7
271.16483	0.6
275.11099	5.1
293.10876	0.7
317.11664	1.2
335.11523	0.6
357.15268	10.5
359.13208	7.2
419.15244	100.0
420.15540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.5
55.01874	11.5
55.05507	13.2
57.03438	14.5
57.07073	25.7
59.05015	8.0
61.02918	9.8
67.05504	14.0
69.03426	31.0
69.07074	13.8
69.69504	33.0
70.06585	9.8
71.05001	11.7
75.26577	5.2
77.07420	5.9
79.05497	15.1
81.03432	32.4
81.07055	41.9
83.05030	11.6
84.39569	5.2
85.02902	53.8
85.06559	19.0
86.09713	12.0
87.00811	14.9
91.05490	11.9
93.07040	17.6
95.04990	12.4
95.08593	17.2
97.02898	34.3
97.06526	20.4
98.97555	12.9
99.04463	12.7
99.08102	20.9
105.01897	8.6
105.07046	12.5
107.04943	15.2
107.08614	21.2
109.02879	26.3
109.06521	12.4
109.10160	28.3
111.08090	16.1
111.69205	5.6
119.04964	9.4
119.08613	6.4
121.06477	6.5
123.08114	8.2
124.07696	6.2
125.06029	29.0
125.09696	28.3
127.03928	46.5
127.11224	9.9
131.08595	9.2
133.10164	8.6
135.04469	8.2
135.08061	14.4
135.11717	18.6
137.05948	8.7
139.03862	7.8
139.11261	6.6
145.04980	17.9
151.03920	12.1
151.11183	9.2
153.05467	28.6
153.09099	22.8
153.12764	42.8
155.14320	36.8
158.17059	6.0
159.02896	7.7
167.07036	22.1
171.06563	13.0
171.10191	24.2
171.13838	36.4
177.05458	11.1
181.04990	12.9
193.08659	7.2
195.13861	9.9
209.08076	10.9
211.79170	6.0
223.06064	7.7
231.04892	7.0
293.09033	9.4
315.08777	12.6
330.10992	22.5
335.10037	11.6
337.97482	6.4
401.16052	14.0
419.13007	100.0
419.17911	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	419.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04019	1.8
53.03932	6.2
55.01862	7.3
55.05496	1.6
57.03432	4.4
60.02447	1.5
61.02914	6.8
65.03955	2.6
68.99768	5.1
69.03428	26.1
71.04991	4.3
71.54897	1.7
71.55288	1.9
73.02899	7.0
74.06084	2.3
79.05486	3.3
81.03423	28.3
82.07800	1.7
83.04978	1.6
85.02905	71.5
86.09709	2.8
87.00835	27.6
87.25983	1.6
93.03392	3.2
97.02898	27.5
98.97594	2.5
99.04475	12.9
103.03928	7.8
103.05437	1.9
105.01868	12.7
107.04949	13.6
109.02876	24.3
111.04431	13.3
113.02366	7.6
117.01837	3.6
121.06549	2.3
125.05947	2.3
127.03919	45.0
129.01839	6.6
131.04909	2.3
135.04366	5.5
135.42552	1.6
137.05972	6.5
139.03903	31.0
145.04955	21.0
147.02881	6.1
147.04301	2.2
149.02437	2.2
149.05969	2.8
159.02901	16.8
163.03879	21.5
163.05989	2.1
171.03079	1.6
171.05174	2.9
171.06538	35.3
175.07558	1.8
177.05455	6.0
181.04913	10.6
183.06502	1.9
189.03896	5.1
190.06288	1.9
191.06920	1.8
195.06525	28.2
205.05043	3.0
207.06564	4.4
209.08200	2.1
213.07559	18.3
219.01892	2.3
222.05212	3.1
231.04942	6.2
233.08052	5.7
235.90126	1.9
237.07559	15.6
261.07635	9.0
275.11026	2.6
279.08646	19.6
280.75140	1.9
357.15222	8.8
359.13107	4.2
419.09735	8.2
419.15161	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76315	0.9
53.03932	3.3
57.03418	1.1
61.02917	1.5
65.89642	0.7
69.03428	9.8
71.04974	3.1
71.55039	1.0
71.55443	0.9
73.02905	2.0
79.88699	0.9
81.03419	11.0
81.03865	1.4
85.02908	30.5
95.04945	0.9
97.02893	20.9
99.04457	20.3
103.03944	29.1
109.02882	12.6
111.04444	0.9
113.02367	71.0
115.03957	1.5
116.07113	1.0
118.44890	0.9
127.03916	52.8
137.05962	1.4
139.03900	1.3
145.04958	24.7
163.06004	4.8
169.04869	1.0
171.06494	1.4
175.02438	0.9
177.05473	1.1
187.06003	2.9
191.35446	0.8
205.07045	1.0
271.08078	2.9
275.11087	4.3
289.09079	1.1
293.10641	0.9
307.10406	1.0
317.11920	0.8
357.15173	9.8
359.13123	6.1
401.14017	1.2
419.15225	100.0
420.15533	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0975
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
51.64651	0.2
55.01861	0.3
57.03425	0.8
57.43227	0.2
60.06967	0.2
61.02933	1.7
64.51388	0.2
68.99790	0.6
69.03419	0.8
71.01330	0.3
71.20071	0.4
73.02921	13.1
77.00254	0.2
77.53763	0.2
77.72193	0.2
78.45397	0.2
79.05495	0.3
81.03426	0.3
81.05656	0.2
81.07069	0.3
85.02900	1.2
85.06547	0.4
91.05482	0.3
103.05473	0.3
105.03383	0.4
105.06990	0.4
107.04903	0.4
109.02892	0.4
111.00806	0.7
115.03956	1.0
117.50646	0.2
118.33121	0.3
119.08533	0.3
121.02856	2.6
123.04413	0.3
127.03901	0.3
131.57246	0.2
131.58354	0.2
132.81956	0.2
133.02856	0.5
137.02356	0.6
147.04414	0.4
149.05998	0.3
149.65308	0.2
153.01839	3.9
157.06558	0.4
159.08012	0.3
161.05954	0.3
165.01878	1.7
167.07065	1.1
171.04391	0.3
177.05486	0.5
181.04939	0.9
183.02913	0.8
183.06499	0.3
185.06035	0.6
191.07042	0.5
203.07121	0.3
209.08090	0.7
213.05508	1.1
219.10190	0.2
231.06512	0.7
241.04951	1.0
249.11246	1.1
258.05359	1.1
259.05957	0.3
287.05505	100.0
288.05936	0.9
293.08127	0.3
369.13544	0.4
401.15863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54343	1.3
53.99258	1.5
55.05508	3.8
57.07082	2.8
67.05510	4.5
69.03424	2.0
69.07061	3.7
70.09866	3.8
70.10253	3.5
71.04960	2.0
72.07684	1.7
79.05489	2.5
81.07055	6.9
83.04977	4.8
83.08650	2.9
85.02914	5.6
91.05483	2.4
93.07055	5.4
95.04945	2.6
95.08605	11.4
105.07045	3.9
107.04985	2.4
107.08607	9.3
109.06512	5.1
109.10166	35.1
110.93506	1.6
113.09624	1.9
115.05408	2.3
119.08569	12.6
121.10121	4.2
123.08058	3.8
123.11688	3.7
133.10120	4.3
135.11697	35.3
137.09610	5.9
149.13235	2.2
151.11165	4.2
151.14825	5.4
163.11148	1.9
167.07065	14.2
168.07440	8.8
175.14818	17.2
177.05539	1.8
181.04936	7.3
182.05319	2.7
193.15919	25.0
209.08139	2.0
211.16942	100.0
221.15260	2.3
287.05362	3.8
288.19473	3.5
388.14771	3.2
401.16245	2.2
418.15707	6.3
418.22507	4.4
443.98810	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0952
Annotation	5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
52.28868	1.5
56.96552	3.0
69.03406	4.7
69.37918	4.5
69.38322	9.8
81.03413	4.9
84.96049	1.8
85.02905	11.9
86.09694	2.5
87.00822	1.6
87.03620	1.8
97.02872	7.0
98.97588	11.4
99.04428	2.7
103.03934	2.7
105.01864	1.9
107.04959	2.4
109.02849	2.5
110.97581	2.2
111.04417	2.9
112.99154	2.4
113.02358	6.3
116.72336	1.8
116.98602	2.9
119.02019	1.7
127.03895	6.6
128.98630	2.5
131.00192	2.3
135.04448	2.3
137.05983	3.3
139.03868	5.2
145.04927	4.2
158.99678	2.7
159.02873	2.9
163.03885	3.6
171.06567	3.8
182.00470	1.9
185.99760	1.6
195.06560	3.0
201.00638	2.1
219.01778	6.9
237.02907	8.5
249.40279	1.8
257.15381	2.5
275.04349	5.3
275.10660	2.0
293.05380	7.6
317.05374	6.0
335.06375	7.5
357.15030	6.8
359.06543	2.2
398.16565	1.8
419.09399	100.0
419.15152	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	418.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01867	1.1
56.96558	1.9
57.03432	1.6
61.02931	1.7
61.70807	0.9
65.03922	2.4
67.05505	3.6
69.03428	8.5
70.06565	0.8
71.04978	0.8
71.54369	1.1
71.54756	0.8
71.58540	0.8
73.02925	2.1
79.05493	3.7
81.03422	4.7
81.07058	1.7
83.04988	1.1
84.08110	0.9
84.62986	0.9
85.02905	9.8
87.00813	1.7
87.04496	1.2
91.03955	0.8
92.05003	2.4
93.05759	1.6
95.04955	0.8
96.08121	2.9
97.02903	5.8
98.97581	5.9
99.04469	2.5
106.05840	1.4
106.06557	25.4
108.08121	100.0
109.02866	5.4
116.98621	1.1
123.06797	6.5
124.07603	24.8
127.03941	6.0
128.98540	1.0
134.06024	15.9
136.07581	15.0
140.03995	0.9
145.04980	1.9
152.07071	78.4
155.04594	2.3
158.99614	1.9
170.08131	21.4
176.07066	1.1
177.00822	1.0
219.01787	2.7
237.02695	0.9
238.03760	2.0
242.50450	0.8
306.09668	1.7
314.12320	1.8
322.49448	0.8
332.13443	6.4
338.12329	1.9
356.13336	9.4
374.14441	18.4
382.11368	1.4
400.12402	15.7
418.13449	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12710	0.6
57.03413	0.7
62.49256	0.6
63.02357	0.7
69.03440	1.3
69.07059	0.8
70.99512	1.3
70.99847	0.9
76.99097	0.6
78.66779	0.5
79.05511	1.1
81.03413	1.6
85.02906	1.3
87.00832	0.7
87.20719	0.6
97.02914	0.7
100.07645	0.7
105.07014	0.7
107.04967	0.8
107.08602	0.8
110.42307	0.8
127.03905	0.7
131.90889	0.6
135.08055	0.8
139.03864	0.6
140.04951	2.7
150.41809	0.6
154.06508	1.6
155.06056	13.4
157.07521	0.8
166.06512	1.2
167.05919	3.4
167.07233	1.4
168.06941	2.7
169.07626	24.1
170.06036	1.9
179.06027	10.1
180.04449	1.1
180.06731	0.7
181.05087	1.6
181.07619	3.2
182.06075	1.0
182.08466	1.5
183.05528	13.5
183.09116	1.1
184.07568	1.2
185.07111	6.7
192.06967	1.0
193.07622	10.5
194.06030	1.7
195.05550	22.4
196.06293	9.9
197.07112	20.5
198.05542	3.9
198.07867	0.8
199.05048	0.8
201.06616	1.1
207.05519	4.4
208.06349	0.9
209.07126	3.8
211.05028	4.2
211.08643	4.6
213.06601	15.9
221.00233	0.7
221.07104	16.1
223.03079	0.7
223.05098	2.0
225.06586	35.6
227.08189	1.0
229.06093	15.9
237.06615	2.9
238.05373	3.3
238.07278	3.8
239.04485	2.8
239.08162	20.3
239.10623	1.0
241.06166	3.4
243.07661	6.7
249.06570	7.9
253.06122	10.3
255.07674	1.6
256.06390	2.9
256.11539	1.2
257.05618	4.2
265.06125	2.4
266.06915	1.0
267.07672	13.8
269.05582	3.3
271.07144	21.2
277.06140	7.4
280.07013	1.1
283.07071	0.8
285.08722	31.5
286.08807	0.9
295.07150	27.1
295.10403	1.4
310.08112	0.8
312.10022	1.4
313.08176	32.3
331.09262	9.4
336.09723	1.1
340.09241	3.8
354.10840	2.8
358.10339	31.2
359.10995	0.7
372.11917	3.4
382.10406	6.0
400.11395	43.1
418.12454	100.0
419.12842	1.5
427.42221	0.7
434.29919	0.7
444.16370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
55.01893	4.5
55.05518	13.7
57.03430	2.8
57.07065	5.5
59.05000	4.2
60.28576	2.3
65.03948	3.9
67.05509	20.2
69.03417	12.2
69.07064	11.3
70.06577	2.6
71.05002	29.3
71.55542	2.9
79.05492	22.1
81.03411	8.3
81.07059	41.9
83.04977	4.1
83.08633	6.5
84.08145	37.2
85.02917	13.4
85.06572	5.3
91.05475	19.4
93.07044	26.8
95.04977	8.4
95.08611	34.1
97.02915	4.1
97.06523	10.3
99.08097	12.3
103.05468	4.3
105.07037	57.7
106.04120	3.3
107.04964	9.9
107.08602	35.3
108.70856	2.1
109.02866	5.2
109.06499	5.1
109.10155	23.9
111.08096	4.5
115.03922	3.1
115.05479	4.3
117.06977	7.7
119.08583	21.0
121.06531	3.5
121.10162	16.1
123.04412	3.7
123.08037	3.4
123.11710	8.5
125.09632	32.0
127.03949	3.7
127.07537	4.7
127.11225	6.6
130.08609	3.0
131.08540	12.9
133.10135	100.0
135.11684	4.6
137.05954	3.1
137.09663	2.6
143.08537	3.3
143.10664	33.7
143.11679	3.7
145.06522	4.4
145.10139	17.0
147.11728	21.7
149.13264	24.8
151.11214	7.2
155.06039	3.8
159.11678	12.1
161.13232	5.0
163.07689	2.5
163.11153	2.8
167.05640	4.1
167.07051	87.2
167.14325	60.5
169.12177	3.6
171.11794	4.1
173.05989	13.4
173.13234	2.4
178.08624	3.3
181.04959	42.5
191.07045	8.2
195.72296	2.3
201.16377	16.8
205.08569	2.9
219.17474	52.9
231.11157	3.1
233.08005	3.8
237.18610	13.1
265.70508	2.4
273.12390	7.6
301.11746	3.8
313.16190	2.8
319.12875	42.3
381.31039	6.3
385.10364	3.0
387.14465	11.1
399.19806	2.6
399.32578	5.1
417.15338	28.9
417.20560	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
53.88059	3.0
55.05505	14.5
57.03439	3.5
65.03932	4.5
67.05491	13.2
69.03443	7.9
69.07056	10.8
70.58311	10.7
71.05003	33.9
73.06535	5.7
79.05499	19.7
81.06653	3.8
81.07069	35.9
83.04983	5.0
83.08609	6.8
84.07782	2.6
84.08149	29.8
85.02907	13.1
91.05469	20.6
93.07040	31.8
95.04955	4.6
95.08607	39.9
97.02882	6.2
97.06528	12.2
99.08075	9.6
102.66663	3.4
103.05485	5.8
105.07037	52.2
107.04965	6.7
107.08601	28.7
109.10154	23.0
111.08046	5.7
117.07018	7.2
119.08578	21.9
121.06464	4.1
121.10133	16.0
123.11721	8.1
125.09643	32.9
127.03892	3.6
127.07601	6.3
127.11172	8.3
131.08524	18.3
133.06441	3.7
133.10138	100.0
135.11713	4.2
143.10695	28.1
145.06403	5.5
145.10121	16.4
147.11725	17.1
149.13252	22.7
151.11189	13.9
155.06114	3.5
159.08014	4.2
159.11690	12.7
161.13376	6.8
165.66991	3.4
167.07072	63.0
167.14328	59.3
169.12276	4.6
173.05966	8.5
181.04987	39.1
191.06999	7.6
197.01663	3.3
201.16400	16.3
219.17436	58.0
237.18445	11.9
273.12454	8.9
286.85834	3.8
319.12808	23.0
365.94711	3.5
381.31271	5.8
384.60056	3.7
387.14481	7.6
399.14441	4.0
399.32108	8.1
417.15222	17.6
417.20581	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	417.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.1
55.59544	0.9
57.03436	2.0
65.03958	1.7
67.05499	1.1
69.07077	1.3
70.06570	0.9
70.94739	1.6
73.59921	1.0
77.59398	1.0
79.05498	3.2
81.07059	7.9
82.06577	1.1
91.05496	2.4
92.05017	1.2
93.07049	2.7
94.06612	1.1
95.04974	1.3
95.08596	2.6
96.08147	2.2
99.49065	1.2
105.07063	1.6
105.54930	0.9
107.08608	1.8
109.10159	2.5
115.05519	1.1
117.07037	1.7
119.08576	2.0
121.10191	1.7
122.06107	1.3
124.07575	4.9
129.24530	0.9
131.08659	1.2
133.10138	1.3
136.11276	1.0
143.08580	1.4
152.03438	1.4
152.07091	1.2
159.11761	1.0
162.09154	3.8
164.10808	2.4
166.05017	8.6
167.07071	12.1
171.09193	1.2
171.11746	1.0
173.06046	2.2
176.03418	1.9
176.14397	1.6
178.12279	1.1
180.13837	3.2
181.05002	3.3
182.08229	1.2
185.13278	1.0
192.02934	1.1
193.66232	1.1
194.04401	1.2
198.07953	1.9
199.08600	4.6
200.10724	3.7
204.13846	13.1
205.08678	1.2
206.15416	13.8
208.17007	1.9
209.10741	1.3
211.08708	2.9
212.09419	7.4
213.10208	2.3
215.09526	0.9
222.14885	4.8
225.10393	1.1
226.07556	1.3
226.10808	1.5
227.08208	2.2
227.11816	7.7
228.10260	4.0
229.13466	1.5
237.10196	1.8
239.08076	1.5
240.09004	3.4
241.09807	4.1
242.10440	2.3
243.07690	1.0
244.08473	1.4
253.09871	1.2
253.21191	1.1
255.11237	11.8
257.09247	5.0
257.12949	3.3
258.10001	1.1
265.09741	1.6
269.09271	4.0
270.10056	4.2
273.12463	2.6
283.10785	100.0
284.10931	1.1
285.08740	2.3
285.12384	2.1
287.10318	11.7
288.11090	1.9
300.11230	1.6
301.11835	62.4
319.12903	67.4
329.11340	28.1
339.16916	1.7
357.18130	8.7
371.19955	1.8
381.18286	1.3
387.14429	1.8
399.19189	47.1
400.19586	1.3
417.15750	2.9
417.20313	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	417.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01872	0.9
55.05505	2.1
57.03445	1.1
58.16914	0.8
59.57552	0.7
65.03932	0.9
65.41460	0.7
65.62531	0.7
67.05497	2.1
69.03423	3.0
69.07057	3.4
70.06842	3.0
71.04969	1.5
72.08138	1.4
78.04726	0.8
79.05458	1.8
81.03116	1.2
81.03478	1.1
81.07047	5.1
83.04985	1.9
83.08599	1.3
85.02917	4.3
85.06540	1.1
86.09724	1.1
87.04453	0.7
91.05485	2.8
93.07045	2.9
95.04980	1.9
95.08616	2.6
97.02893	1.6
97.06528	2.8
99.04448	1.2
99.08112	1.3
105.07045	2.4
107.05005	1.3
107.08573	3.7
108.23297	0.8
108.31340	0.7
109.02887	1.0
109.06539	1.3
109.10168	2.3
111.08092	1.8
115.05470	1.0
119.08614	2.1
119.25519	0.7
121.06463	1.1
121.10135	3.8
123.04435	1.7
123.08088	1.5
123.11668	1.3
123.69869	0.7
125.09690	1.0
127.03895	4.1
127.11198	0.8
131.08604	2.0
131.54712	0.8
132.05724	0.8
133.10132	2.8
135.08057	1.0
135.11679	1.1
137.09613	1.1
141.09099	0.7
145.06467	1.4
145.10141	2.3
149.13252	0.8
151.11183	3.0
155.06097	0.8
157.10170	0.9
159.11703	1.6
161.05960	1.8
161.13266	1.0
163.07576	1.3
163.11266	1.0
165.09108	0.8
167.07060	9.6
167.10652	0.9
169.12296	2.3
173.06020	1.2
175.07605	0.9
181.04977	4.3
191.07137	0.9
192.07898	0.9
201.16396	1.5
211.13441	1.1
217.08598	1.3
219.13812	1.0
219.17455	2.1
227.11937	1.1
233.07883	0.9
237.14941	0.8
237.18536	4.7
241.10365	1.3
245.06404	0.9
255.11353	3.4
271.11588	7.1
285.08829	0.9
313.12494	2.6
331.13641	86.3
358.10373	0.9
359.11685	0.8
367.08124	2.0
387.14023	0.9
404.19461	0.9
417.17325	100.0
418.12518	2.7
418.17838	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	7.9
55.01871	13.3
55.05510	1.4
57.03438	6.5
59.64821	1.3
60.04506	1.5
61.02927	6.7
63.58133	1.5
68.99786	5.7
69.03432	35.3
70.06592	2.7
70.27444	5.6
71.04988	5.8
73.02930	11.3
79.05459	2.2
81.03422	35.9
81.07056	2.1
83.04993	1.7
84.08135	1.3
85.02908	100.0
86.09711	2.4
87.00838	37.1
91.03960	3.1
91.05481	7.2
93.07077	1.6
95.08591	1.7
97.02897	39.1
97.33116	1.4
98.06039	1.9
98.21437	1.2
99.04464	14.5
103.03949	2.1
105.01878	30.0
105.07051	1.9
107.04967	1.6
107.08598	2.5
108.04479	10.9
109.02882	35.2
115.05407	1.9
117.01857	6.3
119.04948	4.9
120.08881	1.7
126.05507	5.1
127.03923	75.1
129.01842	5.1
131.04926	1.7
137.05995	6.2
145.04971	38.8
145.06224	2.1
145.10141	1.6
147.02870	5.9
151.07549	30.7
159.02895	35.1
161.06027	1.5
161.44350	1.3
163.07480	6.2
167.07002	2.7
173.05974	1.8
175.07538	7.9
177.04030	1.2
177.09103	3.5
181.06488	1.7
182.29315	1.6
187.07547	3.7
189.03964	4.4
193.08575	3.9
199.07507	2.4
203.06979	1.8
205.08635	1.7
213.03951	3.3
213.09067	2.4
217.08617	1.9
230.06631	3.5
231.05003	17.1
231.10208	4.2
241.08601	2.9
248.07678	5.6
249.05937	1.8
259.09738	6.8
266.08743	1.8
277.10773	3.3
318.11710	1.8
355.38510	1.4
416.26797	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39183	0.2
53.03946	0.5
55.01868	0.9
55.05506	0.3
56.96576	2.3
57.03433	1.7
61.02917	1.1
67.01244	0.2
67.05495	0.4
69.03429	3.2
69.07082	0.4
69.44189	1.9
70.06590	1.0
71.01351	0.3
71.04990	0.6
72.08165	0.4
73.02921	1.4
73.06567	0.2
73.83865	0.3
79.05495	0.6
81.03422	1.4
81.07053	0.9
82.06568	0.5
83.06102	0.6
84.04506	0.5
84.08118	0.5
84.96049	0.7
85.02431	0.5
85.02912	7.1
85.06525	0.3
86.09694	0.4
87.04457	1.7
90.67847	0.3
91.03941	0.3
91.05495	0.5
95.04961	0.5
95.06089	1.8
97.02899	3.3
97.06532	0.5
98.09698	0.3
98.21248	1.1
98.97593	7.4
99.04456	0.8
99.97911	0.4
100.07620	1.0
104.03101	0.4
104.07098	1.3
107.04930	0.5
109.02883	0.7
109.05106	0.4
110.03553	2.3
110.07146	1.1
110.97578	2.1
111.04445	0.4
112.99100	0.4
115.03925	0.6
116.67033	0.3
116.98633	2.1
117.03347	0.3
119.01817	0.4
119.04967	0.4
120.05605	0.3
124.99209	0.3
125.05998	1.3
127.03922	2.0
128.04568	1.2
128.98636	1.8
130.08633	0.7
131.00157	0.5
133.04994	0.7
134.04626	0.5
134.99678	0.6
135.03021	4.7
135.04480	0.5
136.05209	0.4
136.06194	2.1
136.07637	0.3
137.06625	0.4
139.56985	0.3
143.00146	0.9
143.01929	0.3
143.11813	0.4
145.01810	0.4
145.02786	0.5
145.04955	1.1
146.08145	1.0
146.99641	0.8
147.04424	0.9
149.01073	0.4
149.06000	0.5
150.05513	2.4
151.03902	0.5
152.05684	100.0
153.04108	6.2
153.05341	0.6
155.01942	0.3
155.04651	0.6
156.03601	0.3
156.07695	0.3
158.99680	2.3
159.04927	0.9
161.01245	0.6
161.02901	0.5
163.03943	0.5
163.12296	0.6
168.05411	1.1
168.06619	1.0
170.99693	0.9
173.02908	0.3
177.00732	1.0
177.05586	0.8
181.04597	0.9
182.99585	0.3
185.01178	0.5
187.02849	0.4
189.00734	0.4
189.04262	0.7
190.04921	2.5
191.03906	0.4
193.13434	0.7
201.00787	1.0
203.02266	0.4
205.03905	0.3
208.14465	0.4
209.12805	0.3
219.01799	4.6
220.02202	0.5
227.06766	0.5
228.05699	0.8
229.00134	0.4
230.00719	0.3
237.02831	3.2
238.03256	1.0
245.07066	0.4
254.08392	0.3
254.15025	0.6
261.06180	0.5
262.07089	3.8
270.06796	0.8
271.04706	0.5
271.07581	6.7
273.08453	0.4
273.30722	0.3
287.06680	0.3
288.17209	0.7
289.05914	0.4
307.10593	0.4
307.60483	0.4
308.10901	0.3
309.08502	0.5
313.10333	0.3
318.18079	0.3
319.06903	1.7
326.09329	0.3
336.19186	1.6
337.08194	1.2
342.10724	1.6
352.10208	2.6
354.20233	0.7
364.36313	0.3
368.07245	0.4
374.04999	0.6
398.19269	0.5
416.09995	1.6
416.19855	1.3
416.25677	0.7
421.09961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.05513	13.7
60.13161	2.5
63.00786	2.7
67.05508	21.3
69.03421	5.8
69.07073	14.2
79.05513	14.9
81.07063	43.3
83.04974	4.2
83.08610	6.5
88.17826	2.7
89.09467	2.9
91.05479	18.5
93.07050	44.1
95.08611	55.0
97.06512	3.9
103.05476	2.7
105.07043	48.0
105.85548	2.6
107.08610	63.2
109.10166	28.0
109.10850	3.9
111.08082	11.4
117.07005	8.7
119.08598	87.3
119.09457	4.2
121.10153	100.0
123.08034	5.3
123.11690	10.1
125.09567	3.2
131.08604	14.7
133.10143	52.8
135.08044	3.4
135.11697	51.4
137.09618	3.9
143.08582	5.2
145.10155	26.4
147.11690	37.4
149.09586	6.9
149.13271	62.6
151.11180	3.2
152.79225	2.7
157.10153	7.5
159.11729	24.6
161.09700	3.4
161.13283	19.9
163.11177	15.9
163.14803	11.8
169.10161	2.8
171.11749	5.2
173.13281	14.9
175.11168	5.1
175.14842	13.0
177.12744	11.0
177.16406	13.3
179.14308	4.6
180.09286	3.0
181.12213	5.5
185.13229	9.2
187.14862	16.6
189.16365	26.9
195.13820	16.7
199.14861	5.0
201.16364	12.4
203.17996	13.0
207.13876	14.9
207.17453	37.6
209.15375	12.5
213.16408	6.0
215.18008	13.0
219.17393	10.1
221.18893	3.2
223.14752	3.6
227.18169	5.2
233.19038	7.3
256.82874	3.1
261.18591	3.6
282.84689	3.3
329.24753	3.9
357.27747	5.7
365.28482	6.9
379.26163	9.0
383.29373	6.6
385.30945	10.3
397.31488	20.3
415.32059	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
54.30901	0.8
55.01877	1.6
55.05512	2.4
57.03441	4.0
61.02906	1.1
65.03922	0.9
67.05505	2.6
67.19418	0.8
69.03431	14.1
69.07072	1.5
70.06571	0.9
71.04996	1.4
71.34501	0.9
71.34823	1.1
73.02905	1.1
73.79061	0.7
75.04480	4.9
79.05499	11.3
81.03419	10.8
81.07078	4.5
83.04978	2.1
84.08138	1.2
85.02908	10.3
87.04489	1.5
91.05489	13.1
92.05187	0.9
93.07048	66.5
95.04974	2.3
95.08620	3.6
97.02914	5.5
97.06526	2.0
99.04462	2.3
99.31015	0.9
103.05444	1.1
105.04469	0.8
105.07040	8.9
107.04939	1.1
107.08604	7.0
109.02869	4.3
109.06520	1.8
109.10176	1.4
111.04470	1.7
111.08081	3.9
114.38103	0.8
115.05445	0.9
116.05330	0.9
117.07018	2.5
119.08591	27.6
120.05360	0.7
121.06504	3.0
121.10151	100.0
123.08099	3.3
123.11714	1.7
125.06017	1.4
127.03929	5.0
129.05484	1.4
129.07002	1.3
131.08566	6.3
133.07649	1.4
133.10141	2.3
135.08076	1.1
137.05978	3.5
139.11192	3.5
145.04976	3.0
145.10164	1.3
147.08125	0.9
147.11775	0.9
149.09630	34.8
157.10155	1.4
159.11716	1.6
163.11182	0.8
167.07153	0.9
167.10684	20.8
169.10091	1.0
171.11696	1.0
173.09579	1.4
175.11217	1.2
179.04762	0.9
185.11723	2.3
197.09773	1.2
235.16898	1.0
243.10400	0.9
253.18178	0.9
273.11264	2.5
283.15558	1.9
293.13855	6.7
311.14935	6.8
344.23074	0.8
355.12479	1.0
371.07541	1.1
375.33984	1.1
378.40234	0.9
383.11737	1.0
397.16837	4.7
415.10065	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98639	2.9
69.85442	14.8
69.85792	5.2
85.02951	4.8
97.02869	3.7
98.21027	5.7
98.21568	4.0
170.47626	3.1
285.43304	3.1
402.29578	3.1
415.09955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.7
57.03462	1.1
57.07069	1.8
65.73688	0.8
67.05493	3.6
68.05018	2.8
69.03426	3.9
69.07084	4.7
70.06597	30.8
71.04999	2.0
71.55156	0.9
72.08148	1.5
79.05518	6.6
79.30049	0.8
81.03419	2.9
81.07066	7.4
82.07353	0.9
83.04985	3.9
83.08625	2.0
84.08121	1.2
85.02912	1.7
85.06557	2.0
87.04495	1.2
91.05473	5.8
93.07047	9.7
94.06566	1.2
95.04973	3.8
95.08623	6.4
96.08154	4.6
97.02879	1.3
97.06544	3.8
97.87924	0.8
98.06076	1.6
99.04468	1.0
100.07073	1.0
100.07641	8.3
101.46708	1.3
104.99744	0.9
105.07040	14.7
106.07331	1.1
107.08612	9.2
108.08125	1.5
109.06538	6.5
109.10168	4.3
114.05540	3.3
116.07111	2.5
117.07014	4.0
119.08591	15.3
120.08130	3.8
121.06542	1.9
121.10164	5.6
122.09666	2.4
123.08040	1.5
125.05999	2.8
127.03957	1.6
128.06219	1.7
128.07083	12.6
129.07037	2.6
130.07762	1.3
131.08598	8.5
133.10118	7.4
134.09653	2.5
134.10567	1.3
135.08098	1.6
135.11699	1.8
136.11200	3.1
137.09613	2.6
142.07771	3.3
143.08574	8.2
144.09322	1.5
145.10147	16.9
146.09528	1.2
146.10532	2.6
147.08047	1.8
147.11725	5.3
148.11212	4.7
149.09669	2.5
154.08662	2.1
155.08565	3.1
155.10616	1.0
156.09329	3.5
157.10136	12.0
158.10927	1.0
159.08014	2.0
159.11728	6.1
160.12129	1.1
161.09642	1.2
162.12819	2.4
163.11198	3.1
165.09138	4.7
166.08676	2.6
168.10214	26.1
169.10150	4.2
171.11725	6.6
173.09564	3.2
173.13290	2.9
174.10001	1.5
175.11168	2.5
178.08611	4.7
179.14348	1.1
181.12285	2.0
182.10831	1.4
183.11723	3.2
184.11122	1.2
185.13277	3.1
186.12805	1.2
187.11237	1.2
187.15019	0.9
188.11568	2.1
190.15913	1.7
192.10121	1.8
193.10359	0.9
194.11810	4.5
195.11688	3.5
196.12418	1.0
197.13277	5.3
199.11201	1.2
199.14882	3.1
200.14366	1.3
201.12735	1.2
203.14355	2.1
206.12468	1.1
207.11858	0.9
208.12520	0.9
209.13231	2.6
215.14284	1.0
216.10962	1.8
221.15381	13.0
223.14856	3.7
225.16411	1.6
227.14357	1.4
234.12111	2.6
234.15016	3.3
237.16382	1.6
240.17484	1.1
246.14960	1.9
251.12666	1.2
260.16626	1.0
265.19525	2.6
272.16516	1.7
283.20569	1.0
298.18365	1.2
301.21597	1.2
312.19980	1.0
314.21545	0.9
356.22266	2.3
370.27472	6.1
396.25464	4.3
397.09488	0.9
414.26428	100.0
415.10394	1.1
415.27011	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2638
Annotation	Yesodine
Peak:m/z	Relative Intensity
55.05497	3.7
57.03462	1.1
57.07069	1.8
65.73688	0.8
67.05493	3.6
68.05018	2.8
69.03426	3.9
69.07084	4.7
70.06597	30.8
71.04999	2.0
71.55156	0.9
72.08148	1.5
79.05518	6.6
79.30049	0.8
81.03419	2.9
81.07066	7.4
82.07353	0.9
83.04985	3.9
83.08625	2.0
84.08121	1.2
85.02912	1.7
85.06557	2.0
87.04495	1.2
91.05473	5.8
93.07047	9.7
94.06566	1.2
95.04973	3.8
95.08623	6.4
96.08154	4.6
97.02879	1.3
97.06544	3.8
97.87924	0.8
98.06076	1.6
99.04468	1.0
100.07073	1.0
100.07641	8.3
101.46708	1.3
104.99744	0.9
105.07040	14.7
106.07331	1.1
107.08612	9.2
108.08125	1.5
109.06538	6.5
109.10168	4.3
114.05540	3.3
116.07111	2.5
117.07014	4.0
119.08591	15.3
120.08130	3.8
121.06542	1.9
121.10164	5.6
122.09666	2.4
123.08040	1.5
125.05999	2.8
127.03957	1.6
128.06219	1.7
128.07083	12.6
129.07037	2.6
130.07762	1.3
131.08598	8.5
133.10118	7.4
134.09653	2.5
134.10567	1.3
135.08098	1.6
135.11699	1.8
136.11200	3.1
137.09613	2.6
142.07771	3.3
143.08574	8.2
144.09322	1.5
145.10147	16.9
146.09528	1.2
146.10532	2.6
147.08047	1.8
147.11725	5.3
148.11212	4.7
149.09669	2.5
154.08662	2.1
155.08565	3.1
155.10616	1.0
156.09329	3.5
157.10136	12.0
158.10927	1.0
159.08014	2.0
159.11728	6.1
160.12129	1.1
161.09642	1.2
162.12819	2.4
163.11198	3.1
165.09138	4.7
166.08676	2.6
168.10214	26.1
169.10150	4.2
171.11725	6.6
173.09564	3.2
173.13290	2.9
174.10001	1.5
175.11168	2.5
178.08611	4.7
179.14348	1.1
181.12285	2.0
182.10831	1.4
183.11723	3.2
184.11122	1.2
185.13277	3.1
186.12805	1.2
187.11237	1.2
187.15019	0.9
188.11568	2.1
190.15913	1.7
192.10121	1.8
193.10359	0.9
194.11810	4.5
195.11688	3.5
196.12418	1.0
197.13277	5.3
199.11201	1.2
199.14882	3.1
200.14366	1.3
201.12735	1.2
203.14355	2.1
206.12468	1.1
207.11858	0.9
208.12520	0.9
209.13231	2.6
215.14284	1.0
216.10962	1.8
221.15381	13.0
223.14856	3.7
225.16411	1.6
227.14357	1.4
234.12111	2.6
234.15016	3.3
237.16382	1.6
240.17484	1.1
246.14960	1.9
251.12666	1.2
260.16626	1.0
265.19525	2.6
272.16516	1.7
283.20569	1.0
298.18365	1.2
301.21597	1.2
312.19980	1.0
314.21545	0.9
356.22266	2.3
370.27472	6.1
396.25464	4.3
397.09488	0.9
414.26428	100.0
415.10394	1.1
415.27011	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.264
Annotation	Yesodine
Peak:m/z	Relative Intensity
51.89183	0.8
53.03953	1.3
55.05515	5.0
57.07063	1.6
59.38893	1.0
63.56728	0.8
63.99045	0.9
67.05511	5.8
68.05020	3.1
69.03424	4.0
69.07056	4.3
69.19907	4.0
69.20332	5.9
70.06596	36.7
71.04993	1.8
73.02922	1.2
74.42580	0.9
79.05500	5.4
80.05025	1.0
81.03400	1.3
81.07070	8.8
82.07398	2.1
83.04981	3.4
83.08637	2.0
84.08119	1.4
85.02896	1.3
85.06560	2.3
86.06057	2.3
87.04465	3.0
89.58447	1.0
91.05474	9.1
91.93582	0.8
92.05840	1.1
93.07050	10.7
94.06580	1.6
94.07351	1.1
95.04971	3.2
95.08608	4.9
96.08129	4.4
97.02918	0.9
97.06528	3.7
97.10157	1.2
98.06841	1.2
99.04475	2.1
100.07612	8.8
101.40496	0.9
104.07078	1.0
105.03405	1.0
105.07040	17.2
106.07320	1.5
107.08595	8.9
108.08099	2.0
109.06525	7.8
109.10172	4.2
110.06834	1.1
113.05940	1.2
114.05535	3.8
115.05474	1.0
116.07072	2.9
116.10712	1.8
117.07053	2.9
118.07323	1.3
119.08580	16.6
120.08097	4.4
120.08849	1.0
121.06475	2.6
121.10142	5.9
122.09677	2.9
123.08086	3.1
125.06000	1.6
125.09653	1.5
128.06224	1.9
128.07086	13.2
129.06996	3.3
131.08575	10.5
133.10152	8.5
133.55792	1.0
134.09657	1.3
135.08081	2.2
135.11678	1.6
136.11246	4.7
137.05943	1.1
137.09662	1.5
138.09172	1.1
142.07729	4.7
143.08569	7.4
145.06490	1.0
145.10132	16.6
146.09572	1.3
146.10600	1.4
147.08031	2.5
147.10596	1.4
147.11687	5.3
148.11232	3.1
149.09633	1.2
151.06329	1.2
151.07587	1.1
154.08652	2.5
155.08580	2.2
155.68835	1.0
156.09402	2.8
157.10115	10.7
159.08041	1.4
159.11703	4.2
161.13283	2.2
162.12802	4.1
163.11214	4.6
164.11557	1.7
165.06946	1.2
165.09143	5.5
166.08679	2.8
167.08528	1.8
168.10231	22.6
169.10141	4.2
171.11739	6.0
173.09631	2.6
173.13260	4.1
174.10046	1.5
174.12766	1.5
175.11189	3.8
178.08643	5.8
181.10144	1.1
181.12288	1.9
183.11658	4.3
185.13269	4.0
187.11224	3.2
187.14804	1.3
188.11508	3.0
190.15982	2.0
191.10677	2.3
192.10252	1.3
194.11833	4.8
195.11674	2.1
197.09535	1.1
197.13261	4.5
199.14828	3.1
203.14340	2.3
205.12146	1.1
206.12462	2.0
208.12378	1.5
209.13338	2.1
215.14285	2.5
216.11050	2.8
218.18929	1.2
221.15363	17.3
223.14809	4.3
227.14217	1.2
230.11650	1.0
233.11801	1.1
234.12163	2.2
234.14874	2.7
241.15685	1.2
244.13301	1.1
252.13086	1.6
265.19580	2.1
299.19965	2.2
300.21765	3.9
301.21619	1.1
312.19452	1.6
356.22287	1.8
370.27261	5.2
396.25638	3.4
414.26422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
57.03445	2.0
60.61090	1.2
61.02916	1.7
69.03435	8.5
71.04987	4.6
71.19199	2.8
73.02924	2.2
73.06541	3.4
78.37229	1.1
81.03431	13.5
85.02909	75.1
86.54694	1.2
88.76075	1.3
97.00533	1.2
97.02903	18.9
99.03844	2.6
99.04464	33.7
103.03944	100.0
109.02883	12.8
120.08109	1.3
127.03920	94.6
145.04962	70.8
149.11781	1.4
163.06026	72.5
166.08673	1.6
187.06053	4.7
205.07011	6.2
210.30270	1.5
219.98083	1.1
271.08182	5.1
289.09158	7.8
307.10229	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	414.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.01858	1.8
59.36177	1.5
61.02903	1.8
62.09056	1.2
69.03429	11.6
70.18334	5.0
71.05003	3.1
73.02927	2.0
73.06570	2.0
81.03426	11.1
85.02909	76.5
86.78262	1.3
97.02896	20.0
99.03839	2.9
99.04458	42.8
99.05109	2.2
103.03945	100.0
109.02869	13.7
127.03922	97.0
128.04245	1.4
145.04965	67.1
163.06018	69.3
170.29195	1.7
182.25830	1.6
187.06018	4.7
205.07159	3.9
211.58778	1.5
230.60048	1.3
253.06975	1.6
271.08215	8.0
289.09332	6.3
289.12082	1.3
307.10257	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	414.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.05501	2.3
55.29667	1.6
57.03413	2.1
59.01876	2.0
69.03435	11.8
70.22879	6.2
71.04972	3.3
73.02914	3.3
73.06558	13.3
81.03074	1.5
81.03429	17.4
85.02909	80.4
97.02895	25.4
99.04465	38.9
101.06019	6.1
103.03947	96.6
103.05412	3.1
109.02879	18.3
112.97762	1.9
117.06968	1.7
127.03927	100.0
131.04953	7.4
145.04968	60.3
157.08577	2.3
163.04710	3.8
163.06018	52.2
183.87260	1.9
187.06018	6.8
205.07069	5.3
235.11688	2.8
259.11774	16.7
271.08054	4.7
289.09201	7.3
307.10229	13.6
361.14899	4.3
379.15961	5.3
414.13464	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	414.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.3
55.01859	0.3
56.96551	1.1
57.03435	0.4
58.80217	0.2
61.02919	0.5
69.03085	0.3
69.03435	4.5
69.62535	1.4
71.04997	0.3
73.02915	0.7
73.15230	0.2
81.03422	1.6
82.06573	1.7
83.04997	0.2
85.02903	4.2
87.04440	0.4
87.57252	0.2
89.03947	0.2
91.03970	0.3
91.05516	0.2
94.04046	0.6
95.04964	0.3
97.02908	1.6
97.06528	0.2
98.21432	0.4
98.97581	3.3
99.04453	1.0
100.07615	7.2
109.02899	0.5
110.97579	0.9
111.04443	0.6
115.03927	0.2
116.07114	0.3
116.98615	0.7
119.03574	1.4
121.01730	0.2
124.81709	0.2
125.38123	0.2
127.03960	1.2
136.06189	100.0
137.04575	0.5
137.06610	0.4
143.00233	0.3
145.02849	0.3
145.04993	1.0
146.08124	0.6
147.04395	0.4
148.06107	0.3
155.04578	0.4
158.99635	1.2
159.06619	0.3
163.03973	0.8
166.07259	2.1
171.04182	0.3
177.00833	0.5
177.05447	0.6
184.68414	0.2
187.18201	0.2
189.04327	0.3
191.03978	0.4
201.00673	0.4
219.01837	1.1
226.06113	0.2
234.09572	0.3
237.02838	1.2
288.09686	0.4
299.77499	0.2
306.09537	0.3
307.10358	0.4
309.08578	0.7
319.32996	0.3
324.07266	0.2
337.08240	0.2
351.09827	0.2
370.60831	0.2
382.85358	0.2
391.11151	0.3
396.93552	0.3
405.31848	0.3
414.16830	2.4
415.09784	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62704	0.4
53.03951	2.6
55.01872	1.7
57.03435	1.5
60.04507	0.8
61.02934	1.7
63.69143	0.4
67.05506	0.9
68.99780	0.9
69.03431	9.4
69.07073	0.7
69.55949	2.6
71.04990	1.3
71.81929	0.4
72.65450	0.4
73.02929	2.4
79.05492	0.6
81.03420	11.1
81.07063	0.9
82.06623	0.5
83.04987	1.2
83.45274	0.4
84.08184	0.4
85.02910	14.9
87.00828	6.6
87.04491	0.6
91.03943	0.6
91.05477	0.6
93.07044	1.0
95.04938	0.5
95.08606	0.5
97.02902	5.4
97.06528	0.6
99.04454	3.5
103.03992	0.5
104.05006	0.9
105.01879	3.3
105.07018	0.7
109.02883	8.1
117.01865	1.5
117.07023	0.5
119.08562	0.8
121.10155	0.5
125.05993	0.5
127.03922	13.2
128.64359	0.4
129.01860	1.1
138.09157	0.7
143.44530	0.4
145.04964	3.2
145.10123	0.6
147.02858	0.5
148.02162	69.1
149.02509	0.5
159.02898	4.2
159.11745	1.0
166.03230	100.0
167.03600	0.6
188.11681	0.5
189.05013	0.5
195.13762	0.4
213.04008	0.5
231.04897	2.7
251.04910	0.4
252.16098	0.4
328.08472	1.1
396.23755	1.1
396.28162	0.6
414.08615	4.8
414.13672	0.6
414.24860	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.378
Annotation	28-Norurs-12-en-3beta-ol
Peak:m/z	Relative Intensity
55.05514	19.0
56.48483	2.1
57.07075	7.1
59.04968	2.2
59.05954	2.0
67.05511	30.1
69.07076	44.3
69.49006	14.5
71.05001	15.4
71.08639	5.5
75.53339	2.2
79.05507	17.0
81.07063	87.9
83.08621	17.8
91.04986	2.2
91.05473	13.0
91.94405	2.2
93.07053	44.7
95.08615	100.0
97.10167	11.6
97.78677	2.6
98.21455	4.9
99.08101	5.7
105.07037	19.9
107.08601	57.4
109.10164	91.9
111.11714	4.8
119.08604	28.3
121.10149	51.1
123.11719	49.9
127.11220	19.9
131.08601	5.0
133.10156	25.5
135.11691	47.2
137.13281	19.6
141.12819	2.5
145.10129	6.7
147.11697	23.9
149.13281	46.0
151.14819	5.8
153.12788	8.7
159.11691	5.1
161.13277	14.2
163.14848	27.1
163.95686	2.1
165.16275	2.3
167.14326	3.6
173.13266	4.7
175.14838	18.3
177.16393	21.2
179.14319	2.1
179.17911	3.0
187.14859	3.2
189.16365	18.1
191.18004	16.6
201.16449	3.2
203.17964	18.2
205.19548	8.0
215.18018	5.2
217.19542	13.3
219.21155	3.2
229.19672	2.8
231.21071	6.4
243.21124	4.0
245.22644	12.4
247.24171	6.6
257.22827	2.4
271.24295	4.9
273.25833	6.7
289.25137	3.8
313.28748	2.6
317.28635	3.3
327.30521	7.7
327.43259	2.6
331.30045	6.2
357.31476	2.7
395.36771	12.4
413.26962	4.8
413.32376	16.0
413.37756	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.4
55.05269	2.3
55.05514	34.2
57.07058	5.1
57.82534	1.2
59.04984	2.0
65.03940	2.2
67.05507	20.5
69.03428	4.1
69.06726	1.5
69.07072	24.8
70.96657	1.3
71.04981	2.9
71.08623	4.1
71.55920	1.6
79.05494	23.0
80.19691	1.3
81.07061	72.3
83.04967	3.8
83.08623	13.3
85.06553	2.2
85.10165	3.7
91.05486	20.2
93.07050	27.4
95.04985	1.7
95.08612	63.7
97.06554	7.6
97.10178	26.6
99.08086	1.8
105.07036	29.7
107.04971	2.1
107.08598	34.0
109.06516	20.1
109.10164	22.4
111.08070	6.5
111.11713	3.8
113.09630	3.1
115.05460	1.9
117.07027	8.5
119.08578	32.3
121.06510	4.3
121.10152	19.9
123.08041	5.4
123.11722	6.4
125.09619	4.6
128.06190	4.9
129.07004	8.1
130.07756	1.5
131.04935	2.0
131.08582	19.9
133.09103	1.9
133.10129	30.6
135.08081	7.0
135.11705	9.3
137.09601	4.1
139.11282	1.5
141.06923	2.9
142.07774	6.2
143.08559	18.8
144.09352	2.2
145.09056	1.9
145.10133	31.0
147.08023	6.0
147.11697	22.5
149.09633	7.5
149.13260	4.5
151.11140	3.8
154.07751	2.7
155.08545	10.2
156.09358	7.8
157.10133	46.1
158.10864	1.5
159.08055	2.3
159.11687	38.2
161.09581	6.0
161.13206	8.1
163.11238	6.1
163.14861	2.7
165.07043	2.2
167.08566	4.0
168.09299	4.1
169.10136	25.3
170.10878	4.4
171.08098	1.5
171.11696	39.7
172.12212	1.3
173.09622	8.3
173.13251	14.9
175.11159	7.5
175.14830	3.5
177.12737	3.8
177.16397	2.1
179.08482	2.3
180.09340	2.4
181.10080	7.4
182.10899	3.6
183.08035	2.8
183.11717	26.6
184.08871	1.6
185.09605	5.2
185.13277	23.8
187.11192	4.9
187.14809	8.4
189.12720	1.5
189.16335	3.0
191.08632	1.3
191.10735	2.2
191.17860	2.3
192.09248	1.8
193.10114	5.3
193.11871	1.5
194.10797	3.6
195.11714	15.1
196.12471	3.7
197.09673	7.7
197.13269	15.5
198.63179	1.3
199.11189	9.5
199.14793	9.3
201.12724	5.9
201.16428	6.1
203.14314	4.0
205.12148	1.6
206.10875	2.4
207.11713	5.8
208.12564	2.1
209.13240	17.0
210.13982	2.3
211.11172	4.5
211.14857	11.4
212.15466	1.4
213.12794	14.5
213.16373	10.2
215.14288	4.4
215.18001	5.8
217.12221	1.3
217.15787	2.3
219.11734	2.8
220.12625	1.4
221.13338	7.4
222.14024	2.9
223.11247	2.4
223.14748	11.9
225.12617	2.6
225.16374	8.9
227.14444	1.9
227.17908	7.7
229.12155	3.7
229.15862	3.5
231.11694	3.2
231.13829	4.0
231.17407	3.9
232.12445	2.2
233.13248	3.6
234.14023	2.6
235.14787	7.2
236.15544	1.9
237.12712	4.8
237.16371	10.0
239.17854	2.8
241.12247	2.5
241.15948	2.6
241.19469	2.2
243.13786	3.1
243.17442	10.6
245.13190	3.4
245.15393	9.1
245.19101	1.6
246.13982	3.2
247.14772	3.2
249.16534	7.4
250.17017	2.7
251.14441	2.4
251.17950	25.7
253.19545	19.6
255.14090	1.8
255.17426	3.4
255.20941	2.2
257.11740	17.0
257.18942	1.8
259.13235	3.1
260.15585	3.7
261.16364	9.3
261.18698	1.9
263.14307	1.9
263.17892	3.9
265.16711	1.6
265.19495	14.1
267.17554	1.9
269.15506	2.4
269.18970	4.1
269.22598	3.5
271.20587	38.4
273.14899	6.7
273.18564	1.9
275.17953	11.4
277.19675	1.4
278.85107	1.6
279.17413	13.1
281.19034	3.7
287.20221	6.1
293.19043	17.2
293.22321	2.9
303.17468	2.2
307.20447	1.6
307.23975	2.3
309.21939	1.7
311.19955	3.3
313.18036	2.0
321.18393	5.9
321.21762	1.6
323.19943	1.6
323.23618	3.4
325.21631	18.1
325.25296	1.3
331.24564	2.2
335.19864	6.1
335.23721	8.1
337.25174	5.4
337.28763	1.8
343.26328	4.6
349.25235	7.3
353.21103	49.1
353.25183	3.2
355.26270	5.0
357.27856	1.6
367.26321	6.8
371.21991	7.8
377.24741	3.6
377.31927	7.4
395.25488	6.6
395.33090	14.6
413.22894	23.8
413.27017	30.9
413.34073	100.0
414.34363	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3415
Annotation	Portensterol
Peak:m/z	Relative Intensity
55.05524	11.8
57.07088	17.3
67.05502	10.2
69.07075	16.9
71.04967	3.2
71.08646	13.8
79.05491	10.2
81.07062	41.9
83.05000	3.5
83.08621	13.3
85.10181	10.2
91.05495	12.4
93.07053	12.0
95.08611	26.4
97.06539	3.4
97.10168	8.7
98.20795	6.4
105.07040	17.9
107.08618	13.5
109.06499	3.9
109.10149	13.9
110.64184	2.3
111.11771	3.0
117.07030	4.8
119.08614	12.0
121.10170	8.6
121.72178	2.5
123.11724	2.9
128.06233	4.2
129.07014	8.7
131.08562	17.0
133.10127	14.1
135.11775	3.3
141.07036	3.3
142.07822	7.9
143.08566	20.9
144.22705	2.6
145.10144	20.7
147.11737	4.8
155.08578	20.1
156.09386	3.0
157.10132	44.2
159.08052	4.5
159.11720	17.0
161.13322	3.7
165.07086	3.6
166.07753	3.6
167.08572	7.8
168.09409	5.7
169.10138	24.0
171.11687	13.7
173.13342	6.0
175.11191	9.0
180.09448	2.8
181.10107	18.8
182.10962	12.6
183.11723	35.7
184.12547	2.6
185.09604	3.0
185.13303	20.5
187.14824	4.3
193.10104	4.0
194.10944	5.7
195.11703	24.3
196.12524	9.6
197.13280	38.5
199.11285	3.8
199.14812	16.4
201.12689	15.2
201.16391	2.8
207.11723	3.8
208.12511	4.6
209.13255	21.6
211.14835	70.8
213.12737	5.2
213.16374	12.5
215.14331	35.3
221.13286	4.1
222.14046	6.1
223.14786	8.7
225.06371	2.6
225.16422	7.4
227.14359	18.6
227.17961	9.1
229.15912	22.7
235.14912	3.9
237.16466	27.6
239.14236	2.8
241.16064	5.8
243.17355	2.8
245.15382	6.0
250.17119	3.9
251.18159	13.4
253.19595	8.8
255.17458	43.1
263.18033	3.8
269.18967	11.6
273.18466	22.0
276.02335	2.8
297.22287	3.6
344.37363	3.0
351.30371	11.7
355.30118	2.8
369.31482	4.6
377.32129	35.3
395.33118	100.0
396.33234	2.8
413.26758	13.7
413.34143	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	413.2689
Annotation	Robustol
Peak:m/z	Relative Intensity
55.05504	2.5
57.10742	0.5
59.05003	0.7
67.05511	5.5
69.03429	1.1
69.07086	3.9
69.47581	2.6
69.47998	1.1
79.05492	4.4
79.51520	0.5
81.07061	10.0
83.05000	3.5
83.08648	2.9
83.75706	0.6
86.63383	0.6
91.05492	4.8
93.07053	6.0
95.04982	1.2
95.08615	7.9
97.06529	2.7
97.10185	1.0
99.08089	1.6
105.07034	7.4
107.04965	1.3
107.08609	8.2
109.06511	2.3
109.10165	7.5
111.08092	2.1
117.07026	3.8
119.08583	9.8
119.64664	0.6
121.06551	1.0
121.10151	8.3
123.08144	3.1
123.11721	3.9
125.09664	1.3
129.07025	1.8
131.08583	5.4
131.26637	0.6
133.06485	1.0
133.10153	7.2
135.08076	3.1
135.11711	4.9
137.09616	3.7
137.13284	0.6
139.11249	0.8
141.06947	0.8
142.07809	1.4
143.08600	3.7
145.10132	7.8
147.08064	1.3
147.11697	5.6
149.09610	1.9
149.10840	0.6
149.13246	1.7
151.11209	2.3
153.12779	1.0
155.08524	2.9
156.09361	1.0
157.10159	5.3
159.08112	1.4
159.11713	6.3
161.09644	1.6
161.13284	2.3
163.11224	1.8
165.09094	0.6
165.12753	0.8
167.08553	1.2
169.10155	2.7
171.11755	5.0
173.09656	2.5
173.13277	2.6
175.11221	2.5
175.14795	1.2
177.12689	0.8
179.10719	1.2
181.10092	1.7
182.11037	0.8
183.11736	3.2
185.09685	0.7
185.13283	2.7
187.14789	1.7
189.12724	1.3
189.16495	0.9
191.10649	0.7
191.14212	0.8
193.10081	0.9
195.11702	1.7
197.13245	4.3
199.11157	1.0
199.14886	2.8
201.12772	1.7
201.16422	1.8
203.14386	1.5
205.15907	1.8
207.11713	0.9
209.13278	1.8
211.11246	0.7
211.14879	2.5
213.12727	1.6
213.16429	2.0
215.14365	2.4
217.15921	1.5
221.13493	1.0
221.15454	1.9
223.14763	1.5
225.12740	2.2
225.16446	1.4
227.14244	1.9
227.17944	0.7
229.15895	0.9
231.17303	1.0
233.13203	0.6
235.14992	0.9
237.16507	1.2
239.14310	0.7
241.15804	1.4
243.13817	1.6
243.17593	0.8
245.19229	0.8
249.16364	1.1
251.18066	0.8
253.15829	1.0
253.19484	1.4
255.17368	0.8
257.15308	0.8
269.19028	0.7
271.20538	1.6
279.17593	0.6
309.22144	1.6
327.23248	2.2
335.23486	1.0
349.25095	2.2
359.23492	0.6
367.26196	3.1
377.24734	9.7
395.25818	21.8
413.26877	100.0
414.27155	2.1
439.13867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2689
Annotation	Robustol
Peak:m/z	Relative Intensity
53.03940	2.3
55.01857	2.0
55.05488	5.2
56.27387	1.9
57.03413	1.9
59.04982	2.7
60.93191	1.6
64.81109	1.8
67.05516	8.7
69.03433	9.0
69.07051	5.6
70.60483	3.7
70.60844	2.7
71.04990	2.0
78.37251	1.5
79.05509	12.9
81.07059	19.6
83.04967	5.2
84.62856	1.5
85.02878	2.1
91.05492	17.6
93.07050	22.8
95.04952	5.5
95.08144	1.7
95.08613	18.8
97.06509	5.1
99.08076	2.2
105.07040	28.2
107.04931	4.1
107.08607	21.3
109.06526	10.2
109.10123	9.8
111.08079	8.2
113.09638	6.1
115.05418	3.2
117.07011	7.2
119.08590	28.0
121.06523	14.7
121.10143	10.8
123.08053	3.5
123.11714	4.2
125.09576	2.1
128.06223	2.4
129.06998	4.3
130.07820	4.5
131.08594	19.8
133.06503	3.3
133.10147	22.7
135.08051	8.9
135.11674	6.5
137.09633	25.5
141.06973	3.5
142.07750	4.8
143.08557	11.0
144.09377	3.3
145.10147	19.7
147.08046	6.0
147.11659	8.1
149.09615	17.4
149.13164	2.2
155.08571	8.1
156.09346	2.8
157.10138	16.3
159.08018	7.2
159.11717	16.9
161.09621	11.4
161.13264	5.0
163.11176	5.3
163.14795	1.8
169.10182	8.2
171.11728	11.8
173.09590	6.4
173.13258	7.2
175.11139	7.2
175.14799	4.2
177.12833	2.4
181.10124	5.0
182.10823	2.5
183.11754	8.2
184.12387	1.9
185.09593	2.0
185.13251	7.6
186.10420	2.3
187.11186	7.0
187.14795	4.7
189.12729	4.9
191.14330	2.4
193.10153	2.7
195.11766	8.1
196.12413	2.0
197.13263	15.4
199.14828	7.2
201.12743	3.7
201.16319	2.8
203.14200	3.2
205.10132	2.5
207.11525	2.8
209.13249	7.0
211.14755	3.7
213.12715	7.4
213.16277	4.0
215.14349	15.6
217.15790	2.7
219.11618	2.7
221.13255	3.9
223.14801	6.3
225.16446	2.1
227.14308	3.3
229.15930	2.5
231.17409	2.7
233.15320	2.6
235.14900	3.9
237.16364	6.8
239.14278	3.7
241.15938	4.4
247.14752	2.8
249.16383	2.7
251.17957	3.1
253.19495	2.1
255.17313	2.6
265.15948	8.3
265.19382	4.3
266.20364	2.2
267.21207	2.1
283.16934	12.2
291.20975	2.6
301.18051	13.4
307.20386	2.5
309.18829	3.4
309.22137	8.2
327.19614	5.2
327.23190	7.4
333.22510	2.2
351.23392	4.0
359.23532	2.9
367.26285	3.6
377.24615	12.3
395.25836	28.7
413.26825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.05497	6.4
57.07056	3.0
65.90906	1.4
67.05511	10.0
68.64249	1.5
69.03416	4.1
69.07071	7.5
70.07388	1.3
71.08614	2.6
71.55203	2.4
74.66818	1.3
79.05486	9.6
80.09190	1.4
80.73584	1.2
81.03418	8.6
81.07061	14.5
83.04961	4.4
83.08611	5.9
86.80628	1.3
88.98454	1.3
91.05479	10.6
93.07043	14.1
95.04955	6.1
95.08608	19.1
97.06528	5.3
97.10133	3.7
103.05451	5.8
105.07029	12.7
107.04933	4.7
107.08602	14.4
107.42539	1.6
109.06505	4.2
109.10172	9.7
111.08024	3.2
111.11742	1.7
115.05435	1.8
117.07048	6.5
119.08572	12.6
121.06532	4.2
121.10152	11.6
123.08028	1.9
123.11691	4.0
129.06981	3.0
130.07787	2.6
131.04919	17.5
131.08589	9.4
132.05298	1.6
133.06445	2.3
133.10153	10.3
135.08043	1.6
135.11671	5.4
137.09628	1.5
140.15338	1.3
142.07777	3.4
143.08571	10.4
145.06485	3.2
145.10115	15.0
147.08044	5.4
147.11679	5.8
148.90057	1.4
149.09648	3.2
149.13217	1.9
155.08537	4.9
156.09258	1.6
157.10152	13.7
159.08023	5.0
159.11685	16.9
161.09570	8.1
161.13229	4.0
163.14828	1.7
165.07002	2.6
167.08604	2.4
168.09239	1.6
169.10149	7.2
170.10747	1.8
171.07951	2.0
171.11691	10.3
173.09648	10.7
173.13193	5.2
175.11203	5.4
175.14833	2.3
179.08528	3.1
180.09210	1.4
181.10091	5.4
183.11684	14.8
185.09581	2.7
185.13240	6.1
187.11143	2.7
187.14851	3.6
189.12808	1.9
191.10635	3.7
193.10075	2.0
194.10837	1.7
195.11688	10.8
196.12387	3.2
197.13232	6.8
199.11151	2.8
199.14738	4.0
201.12685	3.4
201.16400	1.6
203.14360	2.5
207.11714	3.9
208.12383	2.0
209.13327	7.3
211.14780	4.4
212.15268	2.1
213.12628	1.7
213.16353	1.7
215.14326	1.4
219.11696	1.5
221.13315	2.5
222.14336	1.5
223.11238	2.4
223.14812	7.3
225.12691	1.6
225.16345	3.8
231.11836	1.8
233.13098	2.5
235.14925	2.6
237.12703	2.7
237.16374	7.2
239.17892	2.2
241.72667	1.4
247.14867	1.8
249.12752	1.7
249.16411	1.8
251.18016	3.7
253.15858	18.9
253.18938	2.7
255.17619	3.4
255.20139	1.6
263.14313	2.4
263.18057	2.1
265.19519	4.6
267.17493	9.2
275.14221	1.3
277.15717	1.5
279.17355	4.1
279.20886	2.6
283.20447	1.9
291.17453	5.6
291.20834	2.4
293.19009	10.9
295.24078	2.8
303.17444	1.7
305.19000	1.8
317.18961	4.7
319.20639	17.4
331.20462	3.1
333.21988	3.0
335.19989	3.4
346.23071	2.5
347.23544	2.4
349.25262	4.2
353.28421	2.0
359.23688	26.6
367.49557	1.6
377.24747	100.0
395.25464	1.8
395.32516	3.2
395.36740	1.9
413.26724	3.9
413.33902	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	413.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87514	4.5
53.03936	8.7
55.01624	4.1
55.01871	17.5
55.05504	10.2
57.03429	6.3
58.34325	4.1
64.00645	3.9
67.05496	28.0
69.03432	37.3
69.07063	23.4
70.99539	7.9
71.04987	19.7
73.02901	7.6
78.21551	4.3
79.05501	45.9
81.03426	32.7
81.07049	44.6
82.23252	4.0
83.04982	48.7
85.02927	27.1
85.06521	4.4
89.88527	3.9
91.05484	36.7
93.07041	49.6
95.04977	41.4
95.08604	17.1
97.02892	19.7
97.06537	46.5
99.04446	19.9
105.07039	85.7
107.04965	32.7
107.08603	39.8
109.02881	15.3
109.06523	34.8
111.04431	7.9
111.08087	7.0
115.05451	4.5
117.07067	21.9
119.04933	16.8
119.08593	30.4
121.06517	64.9
121.10128	9.6
123.08085	8.1
125.06000	62.7
127.03923	9.0
127.07552	5.2
129.07001	18.4
130.07779	6.7
131.04892	5.1
131.08549	33.9
133.06482	16.7
133.10115	11.5
135.04391	8.9
135.08049	16.2
135.11665	13.4
137.05940	26.6
139.07552	11.8
141.06989	9.3
142.07800	9.3
143.07060	30.8
143.08560	23.7
144.09303	7.9
145.06477	17.9
145.09050	6.7
145.10132	100.0
147.08043	21.5
147.11703	13.6
149.05905	8.2
149.09616	8.1
151.07558	15.4
153.05574	5.3
154.07800	10.0
155.08582	8.0
157.08589	10.6
157.10121	11.9
157.81390	4.7
158.07355	9.4
159.08064	28.0
159.11693	53.9
161.06026	9.6
161.09662	10.7
161.13268	4.8
163.07527	7.8
163.11183	79.1
167.08578	5.4
168.09308	5.0
169.10176	14.5
171.08043	12.4
171.11670	9.8
172.08855	9.0
173.09627	80.2
173.13129	6.1
175.07521	7.7
175.11232	6.4
177.09167	4.9
177.12744	7.3
179.08565	9.8
181.12204	7.9
182.07211	8.7
185.09583	15.7
187.11171	80.4
189.09096	7.1
189.12785	8.7
191.10663	38.2
197.09602	14.3
199.11201	9.9
201.09114	8.7
203.10674	7.0
205.12224	53.7
209.09709	5.3
209.11743	9.0
211.11133	6.1
213.09157	9.1
215.10687	96.2
217.12247	6.7
219.10187	7.9
225.08945	4.2
225.12819	4.7
227.10631	6.5
227.12784	9.3
229.12202	6.5
233.08128	5.7
233.11748	83.3
233.15372	7.4
239.10605	6.9
243.10136	4.9
245.11784	9.4
251.12814	41.4
257.11758	8.9
261.11136	6.6
263.12808	12.7
269.55911	4.4
275.12762	12.1
279.12326	8.1
295.13382	6.3
299.12939	7.4
317.13742	9.5
335.14874	8.8
341.13730	5.8
359.14865	13.3
377.15955	13.1
395.16956	13.7
413.17694	21.8
426.81549	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	413.1807
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
53.03938	4.0
53.75668	3.3
55.01853	5.2
55.05511	5.8
57.03435	3.9
66.70267	3.7
67.05484	11.6
69.03417	25.7
69.07082	16.9
70.26172	13.9
71.04982	7.0
72.75877	3.5
73.02898	4.2
73.06548	4.3
79.05495	19.5
81.03426	25.5
81.07063	20.9
83.04985	33.3
84.93095	3.8
85.02898	13.5
91.05502	27.7
93.07053	34.7
95.04956	16.6
95.08616	6.8
97.02876	5.9
97.06530	32.4
99.04456	23.2
105.07040	63.3
107.04967	7.9
107.08617	31.7
109.02868	12.4
109.06522	21.0
115.05498	4.3
117.07010	11.2
119.04945	8.2
119.08570	15.8
121.06506	28.2
123.08054	4.5
125.06013	47.7
127.03893	14.6
129.06987	4.6
130.07761	8.5
131.08583	20.3
133.06450	9.9
133.10139	8.7
135.08054	7.9
137.05963	10.2
139.07487	6.4
141.06975	5.9
143.07031	16.7
143.08516	10.2
144.09315	6.2
145.06464	8.8
145.10135	100.0
147.08023	8.3
147.11690	11.3
151.07536	14.5
155.08545	5.4
157.08568	3.7
157.10120	5.7
158.07266	9.8
159.08029	7.6
159.11711	36.8
161.09666	6.4
163.11203	34.5
169.10118	13.1
171.08086	5.4
172.08888	5.3
173.09631	51.3
177.12794	9.9
179.08606	3.5
179.18182	3.9
187.11182	71.6
189.12698	5.7
191.10690	40.7
197.09608	10.3
205.12282	52.9
208.45154	4.1
209.11784	13.1
215.10701	74.9
223.13240	5.2
233.11743	58.4
251.12804	23.6
275.63147	3.7
395.16858	10.6
413.17868	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	413.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81507	0.3
54.69611	0.3
55.42982	0.3
56.05036	0.9
57.03444	0.6
60.04523	0.5
66.15009	0.4
67.88721	0.3
69.03430	0.7
69.32838	0.4
69.70747	2.4
69.81535	0.4
70.02957	0.6
70.06586	0.4
71.04966	0.4
74.06084	2.2
74.14953	0.4
83.04966	0.5
85.02893	2.5
88.03965	1.9
88.61462	0.3
93.07066	0.4
94.04095	0.4
94.06565	1.8
97.02901	0.7
99.00822	0.5
99.04453	0.8
100.07665	0.4
102.05544	0.8
103.03937	1.1
116.03484	0.3
119.03552	3.4
120.06578	9.3
127.03898	1.1
136.06190	100.0
136.29652	0.4
137.04596	1.2
145.04958	0.6
146.06038	3.0
147.04405	0.5
158.04543	2.0
159.59625	0.4
162.04117	65.3
163.03955	0.6
163.05927	0.6
174.05504	1.8
192.06677	0.4
233.09186	1.1
238.95639	0.4
251.10318	1.5
268.10373	0.9
281.09930	57.8
298.18027	0.4
413.14108	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1805
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
53.03946	8.1
53.46730	5.3
55.01863	9.3
55.05520	12.6
57.03444	7.7
67.05501	19.7
69.03443	42.2
69.07069	21.0
69.36809	12.3
69.37226	29.7
71.04991	13.0
79.05492	22.6
81.03423	47.3
81.07054	27.3
83.04984	66.5
85.02913	20.8
85.06513	7.8
91.05473	24.3
93.07066	37.9
95.04977	24.5
95.08601	11.3
97.02882	18.4
97.06530	48.6
98.20724	11.3
99.04469	23.0
103.15079	5.3
103.45047	5.2
105.07030	63.8
107.04946	8.0
107.08564	27.9
109.02868	15.0
109.06527	24.7
117.07052	13.8
119.04969	6.5
119.08582	17.3
121.06510	32.1
121.10159	10.3
125.05991	78.9
127.03891	10.7
130.07753	5.4
130.58870	5.5
131.08615	26.7
133.06493	12.0
133.10077	9.8
135.08051	11.1
137.05998	18.9
143.07047	28.9
143.08698	6.4
145.06471	9.9
145.10117	100.0
147.08064	8.4
147.11694	7.3
151.07535	13.7
157.10060	5.7
158.07318	12.2
159.08032	12.3
159.11707	39.0
163.11185	43.3
169.10097	18.0
172.08833	6.4
173.09619	55.6
177.12776	11.5
187.11194	78.9
191.10693	33.8
197.09531	5.7
204.51520	5.1
205.12233	55.4
209.11745	13.4
215.10727	60.6
216.19698	5.1
223.13290	6.3
233.11749	49.8
251.12839	30.4
261.86795	5.2
377.16006	10.8
395.16882	26.9
413.17722	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
55.01866	1.2
55.05518	1.7
57.03431	1.1
61.02917	1.7
67.05492	1.4
69.03428	11.7
69.07060	2.0
70.06577	2.3
71.04988	3.8
71.56089	1.3
73.02930	1.4
75.86939	0.8
79.05490	1.6
81.03422	13.4
81.07053	1.4
83.04976	1.6
84.08104	1.2
85.02905	69.5
87.04452	1.3
91.05489	1.6
93.07053	2.2
95.04933	0.9
95.08596	2.4
97.02894	18.4
97.06540	0.8
99.04457	39.9
103.03942	88.1
105.01859	1.0
105.07034	1.4
109.02879	13.0
119.08530	1.2
121.06453	1.0
127.03918	100.0
133.10123	1.0
141.83492	0.8
145.04962	59.5
145.10138	1.5
150.07793	0.9
163.06018	50.0
169.04958	1.0
169.13272	0.9
187.06021	5.2
205.07076	3.3
212.16469	1.5
253.07068	1.2
271.08075	7.6
289.09222	8.0
298.20267	1.3
307.10220	11.9
358.12000	0.9
377.18054	2.9
412.09790	2.6
412.19717	0.8
412.26923	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1418
Annotation	t(6)a
Peak:m/z	Relative Intensity
56.05031	0.9
56.94811	0.4
62.97989	0.3
69.03419	0.5
70.06596	0.4
70.67896	1.1
74.06087	2.1
77.26582	0.3
85.02911	1.1
86.81837	0.3
88.03989	1.5
93.07006	0.4
94.06556	0.8
97.02893	0.7
102.05546	1.2
103.03935	0.8
110.06037	0.3
119.03550	3.2
120.06586	8.9
127.03856	0.6
136.06194	100.0
137.04556	1.2
145.05035	0.6
146.06039	2.1
147.04300	0.4
158.04561	0.9
162.04121	60.0
163.03880	0.7
163.05994	0.5
174.05539	1.0
183.12175	0.5
233.09311	0.6
251.10272	0.9
260.53836	0.3
268.10562	0.4
281.09952	54.6
282.10425	0.4
294.08310	0.5
342.91125	0.4
412.44080	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.8
55.05513	3.8
57.03404	1.8
61.02914	2.4
69.03428	12.4
70.84991	1.7
70.85336	3.7
71.04976	6.7
73.02920	4.7
81.03422	14.0
83.04947	3.7
85.02901	62.3
85.63727	1.5
86.03273	2.2
87.04456	1.8
88.03963	5.7
91.05467	1.8
94.06561	4.1
97.02889	35.5
99.03848	2.3
99.04451	36.2
99.56860	2.0
101.05997	4.7
103.03945	76.8
109.02872	22.1
111.04417	2.3
125.05962	1.5
127.03917	100.0
128.03323	1.5
128.04242	3.4
128.11464	1.8
129.05461	1.9
136.06166	6.4
145.04958	61.2
146.05981	7.2
147.04419	12.1
147.06506	2.7
150.02422	1.9
155.07065	2.8
158.04483	3.9
162.04059	2.4
163.06020	42.0
167.07065	3.1
174.05492	3.2
191.06918	1.8
197.08089	3.2
215.09232	3.3
233.09166	3.4
251.10150	5.1
253.07016	2.3
271.08099	11.8
281.09821	3.6
289.09164	9.0
307.10284	7.7
359.13345	2.1
406.49814	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3622
Annotation	5-Dehydroavenasterol
Peak:m/z	Relative Intensity
50.75502	1.4
51.43065	1.4
53.03949	2.4
53.22321	1.6
55.05517	18.6
57.07075	17.9
59.53282	1.7
67.05514	12.7
69.07072	28.1
69.45975	12.4
71.08633	18.5
79.05494	14.7
81.07059	46.8
83.04987	3.8
83.08620	24.4
85.10198	10.2
91.05476	13.1
93.07052	33.3
95.04972	1.7
95.08617	25.3
96.75758	1.6
97.06512	3.8
97.10169	13.2
103.05469	4.9
105.07031	21.7
107.08606	18.1
109.10136	14.9
111.11726	4.6
115.05440	2.3
117.07043	6.5
119.08592	15.5
121.10159	17.9
123.08047	3.1
123.11716	9.0
128.06168	1.7
129.06995	6.8
130.07855	1.6
130.80550	1.8
131.04893	9.4
131.08575	18.6
133.10149	16.8
135.11690	10.2
137.13245	3.0
141.07066	2.6
142.07771	3.1
143.08559	14.1
145.10135	27.9
147.11676	15.2
149.13280	7.2
151.14880	1.7
155.08540	10.2
156.09386	1.9
157.10135	28.8
157.15848	3.0
159.11710	31.2
161.09598	2.9
161.13306	11.6
163.11229	2.5
163.14839	2.6
168.09282	2.1
169.10130	9.4
170.11018	2.2
171.11667	15.5
173.13264	10.9
173.35031	1.4
175.11214	4.0
175.14764	4.4
177.12698	2.1
177.16399	2.1
181.10144	2.7
183.11722	15.5
184.12451	2.0
185.13228	15.0
187.14841	7.3
189.13033	1.7
191.17969	2.3
193.19461	1.6
195.11674	3.9
197.13257	13.9
199.14824	10.8
201.12801	1.8
201.16396	6.2
203.14372	1.9
209.13338	3.2
210.14005	2.4
211.14789	25.0
213.16432	8.4
215.17949	2.2
217.15775	2.9
223.14861	2.9
224.15517	1.8
225.16463	9.6
227.17937	4.0
229.15906	3.5
231.17268	2.2
234.02571	2.0
237.16377	7.0
239.17934	12.8
243.17570	1.8
251.18057	3.4
252.18752	13.7
253.19524	30.4
253.85249	1.8
255.17444	2.3
255.18483	2.2
255.21083	18.5
257.19028	6.8
261.25748	1.6
267.21146	2.9
270.19745	12.3
271.20572	23.1
281.22592	2.4
295.24277	3.4
309.25760	2.0
311.27267	3.8
313.25470	2.8
313.28787	1.9
351.26776	2.8
351.30524	2.4
393.30005	2.7
393.35168	60.9
411.36227	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3258
Annotation	Topsentisterol D3
Peak:m/z	Relative Intensity
53.03943	1.7
55.05271	0.9
55.05515	12.5
57.07066	3.4
66.89832	1.0
67.05507	15.5
69.06782	0.9
69.07079	11.9
79.05492	8.9
81.07063	27.0
83.04953	1.0
83.08625	15.6
91.05482	10.1
93.07050	16.6
95.04951	3.5
95.08617	39.3
97.06519	4.6
97.10170	2.0
103.05431	1.3
105.07032	22.4
107.08595	16.2
109.06519	3.1
109.10165	16.4
110.95610	0.9
111.08102	7.5
117.07030	5.0
119.08586	20.0
121.10155	24.8
121.50195	1.0
123.08033	2.3
123.11712	15.8
124.20184	0.9
129.07010	4.3
130.07790	1.0
131.08572	15.6
133.10139	23.1
135.08015	1.1
135.11684	8.7
137.09636	1.5
137.13243	3.2
141.06976	1.4
142.07785	3.4
143.08565	10.0
145.10139	18.3
147.11708	17.1
149.13246	8.7
151.11169	3.6
155.08562	4.5
156.09421	1.3
157.10135	30.6
159.11697	22.4
161.13254	9.7
163.11238	2.0
163.14819	2.3
165.12778	3.5
168.09331	1.0
169.10101	4.8
171.11726	10.1
173.13293	7.4
173.68848	0.9
175.11198	5.2
175.14825	5.3
177.12778	1.1
181.10193	1.7
183.11684	7.8
185.13242	7.1
187.14836	5.1
189.16389	4.6
195.11711	2.6
196.12428	2.0
197.13271	7.5
199.14830	4.9
201.12703	1.5
201.16447	3.7
209.13257	2.8
211.14830	9.4
213.16399	16.4
215.14436	3.2
215.17883	1.6
219.70309	0.8
223.14850	3.3
225.14404	0.9
225.16399	3.9
227.17943	5.4
229.15848	2.1
229.19511	1.3
231.17459	3.8
235.14893	1.2
237.16451	2.0
239.17934	3.2
241.15956	1.9
241.19562	2.4
245.19170	2.0
248.61386	0.9
249.16409	1.4
251.18082	1.5
253.19511	18.6
255.17352	1.8
255.21138	1.8
257.19070	1.2
267.21091	1.2
269.20053	1.4
269.22537	5.5
271.20575	26.7
274.89642	1.1
281.22708	3.1
287.23727	3.2
291.21094	1.0
297.22104	1.0
299.23898	1.5
305.22696	1.1
307.24002	1.0
309.22244	1.4
329.24820	3.1
333.25943	1.4
335.27548	1.4
337.25238	1.2
341.24655	1.5
351.26978	1.6
353.28305	3.0
355.26538	1.6
363.91873	1.0
365.28564	1.3
375.22858	1.5
375.30432	6.6
393.31555	19.6
411.32629	100.0
412.32910	3.6
414.27524	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3258
Annotation	Topsentisterol E1
Peak:m/z	Relative Intensity
55.05511	14.2
57.07066	10.2
67.05512	16.6
69.07066	27.1
69.26701	2.0
69.27013	21.1
71.08625	6.3
73.43983	2.7
75.59451	2.0
79.05477	12.6
81.06590	2.7
81.07062	36.8
83.04955	4.7
83.08628	22.8
91.05477	10.8
93.07055	19.1
95.04970	4.2
95.08601	26.7
97.06519	3.7
97.10172	10.2
105.07023	14.3
107.08590	19.5
109.06497	3.1
109.10175	17.0
111.08085	4.0
111.11718	2.8
117.07050	5.5
119.08602	15.7
120.78755	2.3
121.06547	3.6
121.10167	11.5
123.08089	3.6
123.11717	15.0
125.09588	5.2
128.06248	3.6
129.06985	7.4
131.08578	13.4
133.10121	16.9
135.08063	4.2
135.11679	6.8
137.09674	3.0
137.13242	2.4
141.06970	5.0
142.07802	6.9
143.08574	10.9
145.10114	14.8
147.08086	3.4
147.11691	10.0
149.13284	3.9
151.11172	2.8
153.68994	3.2
155.08568	14.3
156.09361	2.9
157.10135	31.1
159.11678	15.5
161.09633	4.7
161.13319	5.1
162.09175	2.5
163.14780	2.7
167.08667	4.8
169.10098	12.6
171.11757	13.4
173.09712	3.7
173.13264	7.3
174.25204	2.2
175.11218	9.4
175.14819	2.5
179.08607	2.3
179.10637	2.3
181.10132	8.7
182.10934	2.8
183.11694	17.5
185.13242	11.0
187.14886	5.4
193.10150	3.3
194.10948	2.9
195.11714	9.8
196.12477	2.9
197.13284	17.4
199.14809	12.4
201.12753	3.5
207.11662	3.1
208.12517	4.5
209.13275	13.1
211.14764	20.2
213.12648	2.5
213.16425	5.4
215.14334	5.4
217.15897	2.5
220.12154	2.7
221.13354	6.6
223.14842	7.0
225.12569	2.6
225.16441	6.6
227.14296	5.0
227.17963	2.5
229.16017	5.6
230.55290	2.4
235.14882	7.6
237.16422	9.2
239.18079	3.2
243.20940	3.4
249.16438	6.1
251.17990	9.5
253.15881	4.8
253.19563	3.0
255.17369	6.1
262.62839	2.3
263.18002	4.8
265.19498	3.5
267.17453	5.2
267.21085	2.6
269.19128	6.3
271.16974	5.8
273.18439	4.1
273.21759	2.8
277.19598	3.1
295.20587	7.4
295.24066	2.6
307.24103	2.3
309.22241	5.6
313.21722	4.4
323.23785	5.3
375.23291	5.1
375.30478	16.2
393.31531	72.9
411.32587	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	411.2894
Annotation	Sinensiaxanthin
Peak:m/z	Relative Intensity
53.03932	2.8
54.15622	1.6
55.01857	2.4
55.05516	11.4
59.04953	2.1
67.05508	20.2
69.03423	2.8
69.07069	8.9
71.04977	1.3
79.05505	20.0
81.03404	1.6
81.06593	2.3
81.07063	44.2
83.08591	4.5
85.02851	1.4
87.04482	2.9
91.04975	1.9
91.05485	24.6
93.06478	1.9
93.07049	39.3
95.04955	2.9
95.08614	61.9
97.06541	1.7
97.10133	1.7
103.05434	2.3
105.07041	55.6
107.05011	1.4
107.08601	38.9
109.06486	4.1
109.10165	31.0
111.08082	18.9
115.05433	1.9
117.07043	14.6
119.08592	54.6
121.06493	1.7
121.09318	2.3
121.10146	30.7
123.08051	4.5
123.11688	5.8
125.09609	2.8
128.06206	2.2
129.07008	9.5
130.07816	2.9
130.81284	1.4
131.08575	45.8
133.10139	52.6
135.08075	3.2
135.11716	14.4
137.09610	3.8
139.11169	3.5
141.06960	4.3
142.07782	3.6
143.08554	22.5
144.09335	2.6
145.10138	66.9
145.11287	3.3
147.08000	4.8
147.11700	36.7
149.09579	5.0
149.13303	22.4
151.11130	3.7
151.44164	1.4
155.08537	9.7
156.09373	2.5
157.10133	20.8
159.08015	4.6
159.10457	2.4
159.11703	37.4
161.09610	5.5
161.13284	20.0
163.07506	2.6
163.11203	3.7
163.14816	3.8
165.09036	2.9
165.12720	2.1
167.08591	3.4
169.10138	12.8
170.10867	1.7
171.08037	2.5
171.11734	15.6
173.09624	4.3
173.13260	24.3
175.11221	4.6
175.14847	9.1
177.09090	2.2
177.12708	1.5
177.16356	2.1
179.10704	3.4
181.10110	6.1
182.10887	3.2
183.11719	13.3
184.12428	1.7
185.13303	16.5
187.11256	2.0
187.14833	23.1
189.09111	3.3
189.12791	2.6
189.16389	32.0
191.10736	8.0
193.10188	2.6
193.12202	4.9
195.10088	1.7
195.11739	7.9
197.13280	22.4
199.14822	23.9
201.16397	24.1
203.10599	3.7
203.14302	3.6
203.18030	10.0
205.12199	10.1
205.15820	4.0
207.11642	4.1
207.13676	2.9
207.17349	3.3
209.13289	7.0
211.14864	15.9
213.16409	13.4
215.14360	1.6
215.17932	11.9
217.12276	2.0
217.15842	4.5
217.19524	1.6
219.13780	2.8
219.17401	2.1
221.13303	3.5
223.14822	7.8
225.12822	1.7
225.16304	7.1
227.14249	1.8
227.17957	4.6
229.15858	2.2
231.13751	2.4
231.17393	2.7
235.14787	4.0
237.16290	7.1
239.14272	1.6
239.17953	6.1
243.13811	2.9
249.16241	4.3
251.17931	3.7
253.19551	4.7
255.21016	6.2
257.15363	9.7
257.18756	2.6
259.16885	4.8
263.17950	3.6
265.19684	2.0
271.16992	3.9
273.18597	1.8
277.15796	2.0
277.19485	3.4
281.22641	2.5
283.17029	2.3
285.18604	2.2
291.21051	5.2
293.22632	13.3
295.24100	3.2
297.18378	3.2
309.18234	2.2
309.21927	1.6
321.21927	2.8
321.25720	4.3
323.20123	1.9
323.27148	2.0
333.25787	19.8
337.21475	3.2
351.23172	2.7
351.26871	35.3
353.24774	7.8
361.25269	7.7
379.26324	30.4
381.27838	6.1
393.27820	27.9
393.32410	2.1
411.28787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75293	4.4
53.03955	5.9
53.33082	4.5
54.29538	4.8
55.01858	6.9
55.05526	5.5
64.35741	4.8
67.05502	22.8
69.03450	7.1
69.07063	16.0
71.20746	8.6
71.21083	6.5
79.05495	28.7
81.03420	28.4
81.07074	35.0
83.04984	7.8
83.08656	6.8
91.05480	29.3
93.07055	27.1
95.04979	27.0
95.08609	36.9
97.06569	9.1
105.07034	28.0
107.04947	18.1
107.08589	29.4
109.06524	16.7
109.10169	12.2
111.08002	5.9
117.07007	13.6
119.08594	24.2
120.88615	4.9
121.06511	12.8
121.10143	12.8
123.08067	8.3
123.11710	6.8
129.06961	6.4
131.04927	7.8
131.08588	14.3
133.10136	23.6
135.08032	6.4
135.11716	7.2
137.13258	7.9
142.07794	6.1
143.08560	16.6
145.10133	15.0
147.08058	14.8
147.11655	11.8
149.09642	7.5
149.13277	7.2
149.40494	5.4
155.08578	10.5
156.09303	8.6
157.10107	31.4
159.08087	16.1
159.11700	21.6
161.09575	26.4
161.13229	15.1
165.06993	7.5
165.12798	5.2
169.10164	24.3
170.10909	10.1
171.11710	31.4
173.09645	19.2
173.13396	9.9
175.11214	8.1
179.08539	6.6
179.14363	11.5
181.10104	15.6
182.10884	8.0
183.11688	24.7
185.09775	6.5
185.13248	22.9
187.11153	6.5
187.14888	8.3
193.10124	18.7
194.10867	11.4
195.11746	27.0
197.13208	28.8
199.14775	12.6
201.12749	6.2
206.11075	6.0
207.11723	19.8
208.12477	10.1
209.07114	5.8
209.13277	23.3
211.14928	7.2
213.12749	8.4
215.14304	8.1
219.02774	5.3
219.11693	6.2
220.12453	11.3
221.13203	9.0
223.14845	16.6
227.14363	5.6
231.13806	13.7
233.13269	7.8
234.13969	7.8
235.14870	12.6
237.16389	14.5
247.11208	6.2
247.14894	8.1
251.17992	14.6
263.17929	14.6
265.15930	8.6
277.15915	14.0
281.18967	7.1
291.17505	17.7
293.18915	26.3
305.18823	5.9
315.17148	7.2
317.18945	43.9
321.22156	29.7
331.20517	32.2
333.18457	11.9
333.22189	7.0
345.22110	27.6
347.23740	16.0
349.21841	16.7
357.22223	40.0
363.23230	19.2
375.23239	100.0
393.24222	87.3
411.25739	56.8
420.76636	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	411.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.0
55.01866	8.6
55.05500	5.5
57.35544	2.9
61.66183	2.8
65.03964	3.4
67.05499	17.4
69.03432	8.1
69.07059	7.4
69.69384	18.3
79.05492	16.9
81.03425	25.2
81.07059	17.2
83.04989	6.2
83.08657	5.5
84.08185	3.0
87.64648	2.9
87.66228	2.5
91.05487	20.7
91.46851	3.1
93.07044	21.8
95.04974	23.5
95.08614	19.4
97.06538	6.6
98.20731	3.6
105.07034	21.8
107.04991	15.6
107.08589	19.8
109.06558	16.1
109.10149	10.3
111.08098	3.8
115.05534	4.1
117.07021	9.0
119.08596	27.8
121.06509	10.2
121.10163	11.4
123.08072	6.7
129.07048	10.3
131.04951	9.5
131.08533	14.4
133.06519	3.2
133.10139	16.7
133.69803	3.1
135.08052	11.3
135.11668	4.1
136.38010	2.7
142.07819	6.8
143.08521	14.5
145.06480	8.2
145.10136	20.6
147.08069	23.3
147.11711	5.1
153.06909	6.1
155.08566	13.6
156.09341	8.2
157.10143	27.1
159.08086	12.1
159.11688	18.6
161.09642	20.0
161.13257	3.4
165.07080	4.4
167.08572	7.1
168.09296	5.7
169.10139	25.2
170.10936	7.0
171.08060	6.3
171.11702	32.8
173.09676	22.9
173.13229	9.7
175.11226	13.0
179.08620	10.0
180.09393	6.5
181.10094	16.4
182.10881	4.4
183.11682	23.5
184.12500	4.9
185.09613	5.0
185.13309	17.6
187.11211	8.3
187.14873	4.9
189.12785	4.3
191.08661	3.0
193.10138	12.2
194.10892	12.3
195.11725	25.2
196.12563	3.0
197.09612	5.7
197.13297	17.6
199.11168	10.6
199.14809	12.9
201.12772	4.3
201.16431	2.9
205.10051	4.4
206.10945	5.8
207.11717	11.8
208.12544	8.6
209.09856	3.5
209.13272	19.4
211.11140	5.4
211.14825	11.6
213.12796	9.8
213.16235	3.7
215.14307	6.0
219.11662	3.7
220.12477	5.8
221.09758	3.6
221.13303	13.6
223.11357	6.4
223.14816	22.7
225.12843	4.2
225.16412	9.7
233.13229	10.1
234.13930	6.4
235.14876	10.1
237.12779	5.4
237.16396	15.5
239.14401	4.2
239.18001	7.5
243.11867	4.3
245.13205	4.6
246.13950	4.8
247.14911	5.0
248.11751	3.8
249.12701	5.6
249.16597	5.2
251.18042	10.3
253.15834	4.4
253.19722	5.9
257.13309	3.8
259.10886	3.6
261.16394	6.2
263.14273	9.0
263.18091	11.5
264.03894	4.2
265.15891	5.9
265.19498	3.5
267.13824	4.1
267.17358	3.6
275.14282	4.6
275.18011	3.4
276.15125	3.9
277.15860	15.9
277.18961	3.4
279.17450	7.2
281.15533	3.7
281.18973	9.0
283.16653	4.0
285.12411	3.9
288.14978	3.1
289.15933	3.8
289.19284	3.6
291.17276	19.0
293.19104	17.7
300.15097	4.3
301.15945	5.2
305.19000	8.2
307.20645	7.2
309.18686	3.8
317.19043	32.2
319.16919	3.3
319.20578	4.3
321.22015	24.4
327.17291	4.1
329.19055	3.6
331.20651	22.3
332.21115	3.9
333.18427	10.9
333.22046	4.2
342.19727	3.5
345.22153	23.0
347.23914	14.9
349.21603	24.0
357.22180	53.7
363.23114	22.9
375.23193	100.0
376.23386	5.0
393.24210	86.6
411.25171	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01883	5.4
55.05511	8.4
57.02282	2.2
57.07064	2.6
64.04316	2.5
65.57236	2.3
67.05509	12.4
69.03431	8.5
69.07067	5.8
71.04996	3.1
75.70757	2.3
79.05506	19.2
81.03423	27.6
81.07063	30.9
83.04958	3.7
83.08619	3.2
84.79809	2.7
91.05480	25.0
93.07060	23.6
95.04992	27.4
95.08636	21.7
97.06524	8.7
98.21530	4.7
105.07040	28.1
107.04979	11.6
107.08615	18.7
109.06529	18.4
109.10176	7.9
111.08089	3.5
115.05471	4.2
117.07016	11.2
119.08593	28.0
121.06504	11.3
121.10140	10.3
123.08022	5.5
128.06163	3.0
129.07016	8.4
131.04930	11.6
131.08591	18.5
133.06465	4.3
133.10150	24.4
135.08083	10.9
135.11653	3.6
135.62053	2.4
141.07016	5.1
142.07750	5.6
143.08563	17.2
145.06522	3.1
145.10141	21.4
147.08022	11.0
147.11694	11.0
149.13222	2.8
155.08556	12.3
156.09338	8.5
157.10138	25.9
159.08073	15.0
159.11696	18.5
161.09627	25.8
163.11252	3.5
165.07005	6.6
167.08542	5.3
168.09395	6.4
169.10120	26.8
170.10912	6.5
171.08057	2.6
171.11716	28.0
173.09645	26.7
173.13303	12.9
175.11209	13.4
178.07857	3.0
179.08563	10.2
179.10791	2.8
180.09297	4.7
181.10164	18.4
182.10992	4.6
183.11693	29.6
185.09613	3.0
185.13321	16.3
187.11177	8.3
187.14871	6.5
189.12833	3.5
192.09367	3.3
193.10150	17.3
194.10953	9.6
195.11763	21.7
196.12538	5.0
197.13237	19.9
199.11226	9.0
199.14813	10.8
201.12799	9.8
205.10181	4.2
206.10880	4.3
207.11719	17.2
208.12520	8.9
209.13234	25.1
210.13937	2.7
211.11157	4.4
211.14774	8.4
213.12820	6.1
213.16470	4.0
215.14328	5.7
219.11678	9.5
220.12413	5.8
221.13235	13.7
222.14001	3.5
223.14824	26.5
225.12677	4.7
225.16371	7.0
227.14250	3.5
229.10019	2.7
231.11748	4.5
231.13837	8.2
232.12436	5.1
233.13261	8.2
234.13995	5.5
235.14735	11.6
236.15359	2.9
237.12730	4.5
237.16354	16.4
239.14314	2.9
241.15753	2.5
247.11214	5.0
247.14856	5.3
248.15559	4.3
249.12726	3.9
249.16518	6.3
251.14275	5.0
251.17950	10.2
253.15862	6.5
253.19708	4.0
257.13318	3.5
260.15659	3.0
261.12790	3.6
262.13583	6.2
263.14481	4.0
263.18005	15.8
265.15939	8.2
267.17462	7.8
271.20306	3.3
275.14395	4.3
275.17773	5.0
277.15939	14.1
277.19345	3.3
279.17441	7.9
279.20752	2.3
281.19000	14.3
287.14319	5.0
289.15979	5.9
289.19104	3.9
291.17358	18.1
293.19125	23.2
301.15793	4.2
305.19022	7.8
307.17004	3.3
307.20441	4.6
315.17642	3.9
317.18985	40.0
318.19836	2.8
319.20612	3.9
321.22113	26.4
329.18878	3.6
331.20624	25.9
332.21216	3.5
333.18597	14.4
333.22070	3.9
335.83896	3.3
345.22144	26.0
347.23657	17.5
349.21603	25.6
357.22131	38.3
363.23227	23.8
365.24759	4.4
375.23209	100.0
393.24252	91.7
411.25256	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	411.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.8
55.01870	4.8
55.05503	4.8
58.68036	3.0
67.05507	19.6
69.03422	9.7
69.07059	13.9
71.04987	4.8
71.55398	6.0
75.16397	3.1
79.05489	21.8
81.03423	42.2
81.07071	21.7
83.04970	6.2
83.08595	6.9
89.76021	3.5
91.05482	32.4
93.07046	26.2
95.04976	31.6
95.08617	28.3
97.06537	8.7
103.23937	3.3
105.07037	39.8
106.07369	9.5
107.04936	13.0
107.08600	28.4
109.06500	12.2
109.10134	8.7
111.08077	6.9
113.05994	3.8
117.07011	10.1
117.19279	3.6
119.08577	31.7
121.06497	13.0
121.10166	12.1
123.08049	5.7
123.11786	4.5
129.07018	8.4
131.04924	14.7
131.08591	27.7
133.06499	8.7
133.10139	17.4
135.08063	9.5
135.11644	5.8
137.09590	4.7
141.07030	4.6
142.07805	10.1
143.08563	21.5
145.06479	6.6
145.10153	27.7
147.08035	17.4
147.11688	12.5
149.09628	3.7
153.06909	4.0
155.08568	8.2
156.09354	10.1
157.10150	37.9
159.08061	15.5
159.11691	19.8
161.09624	28.7
161.13284	5.8
165.07048	8.2
167.08603	8.2
169.10149	31.6
170.10869	5.4
171.08000	5.4
171.11716	24.9
173.09648	28.4
173.13258	14.2
175.11172	10.5
179.08563	10.9
180.09383	5.5
181.10094	14.9
183.11707	31.6
185.09566	4.6
185.13258	20.9
187.11172	9.9
187.14839	7.3
189.12816	4.3
192.09299	6.9
193.10080	7.3
194.10890	8.4
195.11745	18.2
197.13303	16.6
199.11191	14.3
199.14856	9.3
201.12764	10.4
201.16226	3.9
205.10182	5.6
205.12267	3.5
206.10925	6.8
207.11638	13.2
208.12387	7.0
209.13229	26.6
210.13885	3.9
211.11301	4.6
211.14821	14.2
213.12785	22.3
215.14328	10.6
217.12303	3.8
219.11742	5.7
220.12482	4.8
221.13222	14.9
222.13994	4.2
223.11191	4.4
223.14767	23.8
225.12813	5.0
225.16228	5.1
227.08968	3.7
227.14314	5.2
231.11720	4.8
231.13831	43.6
233.13301	7.1
234.14125	5.6
235.14810	14.4
237.16370	13.5
239.14301	4.1
246.34648	3.5
247.14864	5.7
249.12749	3.9
249.16492	5.9
250.17477	3.5
251.14366	4.7
251.17923	9.6
253.15852	6.0
253.19611	5.7
260.15833	4.7
261.12875	4.5
263.17963	9.0
265.15976	7.0
267.17349	4.4
269.18979	5.7
275.14096	6.2
275.18097	3.4
277.15817	14.7
279.17572	4.6
281.15491	3.8
281.19000	11.8
289.15857	4.0
289.19302	4.1
291.17328	18.1
293.19006	23.1
305.19104	4.8
307.20480	8.2
315.17508	4.9
317.19070	31.0
318.19589	4.1
319.20590	4.4
321.22092	23.9
331.20624	19.9
333.18411	13.2
333.21976	6.1
345.22217	24.8
347.23642	13.9
349.21750	21.6
357.22156	30.7
363.23196	22.4
365.24640	5.7
375.23230	100.0
393.24246	87.2
393.31714	5.0
411.25278	66.1
411.31995	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	411.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96404	2.3
53.03939	3.2
55.05515	2.7
61.02909	3.3
67.05517	3.2
69.03429	12.6
69.07064	10.4
69.82405	2.2
70.06587	2.8
71.04990	8.2
71.06279	3.0
71.06599	4.3
81.03408	17.6
83.04964	2.4
85.02910	78.2
85.06532	6.8
87.02380	2.4
88.12499	2.4
88.73909	2.2
97.02892	20.0
99.04459	37.4
103.03950	87.0
105.09117	2.8
109.02877	18.8
109.10162	6.9
117.12376	2.5
127.03925	100.0
127.11174	5.9
142.71878	2.5
145.03918	3.4
145.04985	59.8
145.11169	2.5
145.12277	8.3
147.07901	2.4
163.06023	42.1
163.13290	3.8
187.05986	6.4
195.10222	3.4
205.07117	3.5
271.08115	6.0
289.09387	4.2
307.10178	8.3
411.20663	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63848	3.9
55.01852	4.1
55.05505	5.5
57.07069	5.2
61.12648	4.1
67.05495	13.6
69.07052	11.5
69.88982	4.0
69.91079	3.9
70.92775	4.2
71.55603	4.7
78.61872	4.0
79.05499	21.3
80.87630	3.6
81.03407	18.0
81.07056	23.8
83.08608	4.4
90.24474	3.9
91.05471	21.6
93.07055	24.8
95.04969	15.2
95.08617	18.9
97.06548	7.0
99.94186	4.1
105.04501	4.5
105.07053	27.7
107.04946	12.2
107.08598	26.8
109.06548	5.7
109.10164	10.1
117.07019	10.0
119.08591	31.9
121.06535	10.8
121.10155	24.4
123.08057	5.9
123.11649	5.4
128.06207	6.0
129.07018	8.6
131.05055	4.3
131.08595	19.2
133.10123	23.0
135.07996	9.1
135.11652	8.0
137.06017	4.3
141.07011	6.7
142.07733	5.4
143.08542	13.9
145.10161	19.4
147.08084	21.9
147.11667	8.3
149.09602	30.2
151.07481	6.7
155.08560	7.3
157.10159	19.8
158.07214	5.8
159.08023	13.4
159.11710	16.4
161.09599	20.7
163.11156	5.3
165.07008	4.6
169.10117	9.0
170.11012	5.0
171.08069	11.1
171.11694	14.2
173.09631	38.7
173.13214	6.3
174.10327	5.5
175.11165	8.5
179.08443	4.2
180.09279	4.6
181.10092	5.1
181.80089	4.1
183.11702	14.1
185.09622	13.4
185.13266	13.2
186.10396	8.1
187.11229	8.7
187.14854	10.9
189.12820	9.4
195.11732	5.9
197.13324	7.6
199.11212	14.8
199.14873	9.2
200.11946	7.7
201.12694	9.0
201.52979	3.8
203.14278	8.7
209.09622	4.9
210.10513	4.5
211.11191	17.3
213.12750	17.2
213.16284	5.4
215.14313	31.9
217.15921	13.6
221.13181	5.0
223.11270	5.7
223.14752	5.6
225.12784	9.8
225.16391	11.3
227.14360	6.6
229.12242	4.5
233.15387	16.8
239.14279	5.4
241.15967	14.6
251.17863	10.5
253.15736	6.9
255.17448	5.2
267.17545	8.6
269.19037	21.4
271.16733	6.5
291.17389	5.0
307.16992	7.8
347.23492	6.2
357.22263	7.3
365.24594	8.6
375.23288	47.3
393.24173	100.0
393.28699	7.7
411.25165	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	411.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
57.03421	3.8
65.12125	2.9
69.03424	14.8
69.07041	7.0
69.98460	10.3
71.04970	5.2
73.02922	3.3
81.03424	14.5
81.07047	4.0
85.02428	5.7
85.02908	76.1
85.06530	3.8
95.08544	2.9
97.02903	23.1
97.06516	4.3
98.21474	3.5
99.04459	44.0
103.03946	94.8
109.02882	18.0
115.57741	2.5
119.59428	2.6
127.03923	100.0
145.04962	59.8
163.06033	61.0
168.68553	2.6
187.06015	5.6
195.10150	4.1
205.07207	3.2
255.12379	5.9
271.08081	7.2
289.09192	10.8
307.10138	17.1
352.03546	3.2
427.98782	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	410.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01866	2.4
55.05504	8.2
57.03432	5.2
57.07079	2.3
58.39086	1.8
61.02926	2.8
67.05507	18.1
69.03428	6.5
69.07082	9.2
70.94677	2.9
71.04653	2.4
71.05003	28.3
79.05501	10.5
81.03438	5.4
81.07061	15.4
83.04989	2.5
83.08632	9.2
85.02905	19.9
85.06541	7.8
86.96654	1.7
87.00856	4.0
87.04491	2.4
91.05495	4.8
93.07057	23.4
95.04977	3.8
95.08623	16.8
97.02899	6.4
97.06522	9.5
97.10168	3.8
99.04463	2.8
99.08114	2.7
105.01891	5.7
105.07050	3.9
107.08604	14.7
109.02914	4.9
109.10164	19.7
111.04441	7.8
117.07040	2.4
121.06570	2.1
121.10117	4.0
123.04443	28.8
125.09616	2.4
126.09161	11.2
127.03899	11.5
127.07555	2.0
127.11203	43.6
129.05496	8.9
131.08603	4.5
133.10123	3.9
135.08009	2.1
135.10686	3.7
135.11702	69.7
142.06415	1.6
144.08011	1.9
145.04961	5.3
145.12245	11.3
147.11700	2.1
149.13251	7.0
151.11269	2.3
153.12758	52.7
159.03078	2.2
159.11739	7.1
171.13782	8.8
177.12761	11.2
195.13815	25.4
199.17369	1.8
213.14870	86.9
231.05025	2.2
231.15921	100.0
248.12828	27.9
248.36084	1.7
410.13727	1.7
410.18539	10.8
410.24490	2.9
411.19968	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	410.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.9
54.14550	2.8
55.05506	8.5
56.29942	3.1
57.03439	4.7
57.07068	3.9
58.17847	2.8
58.31809	2.8
59.05024	4.4
61.02931	4.7
67.05505	4.0
69.03425	21.0
69.07065	10.2
71.04987	10.9
71.54770	4.4
73.02926	5.7
79.05495	22.7
81.03442	19.1
81.07065	80.0
83.08611	8.4
84.04469	2.7
85.02915	69.1
85.03429	3.4
85.06554	36.7
87.00829	3.7
88.36923	2.8
91.05489	4.5
93.07050	10.7
95.04971	4.5
95.08585	9.9
97.02902	20.4
99.04456	23.7
103.03957	37.6
105.07037	6.0
106.03014	2.7
106.91904	2.9
107.08601	8.6
109.02895	17.1
109.06529	100.0
109.10154	15.6
116.94266	3.3
119.08598	3.6
121.06486	4.3
121.10156	27.2
123.11644	3.1
127.03933	57.3
127.07570	82.7
127.11208	78.7
135.11740	5.2
145.04971	32.5
145.08582	4.6
145.12215	17.8
157.10080	3.3
163.06055	22.6
163.07343	4.1
177.16362	16.1
195.13782	17.2
195.17467	10.1
213.11218	5.1
213.14752	3.6
213.18362	5.7
229.10765	3.1
253.10658	7.0
271.11789	47.0
289.09152	3.3
307.10272	6.9
329.68478	3.4
385.59470	3.2
410.20288	3.3
411.19916	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	410.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
56.05037	6.5
57.03422	1.9
69.03416	2.3
70.04274	4.1
70.06591	2.1
74.06082	100.0
75.66502	0.9
81.03403	3.4
84.04489	4.2
84.79906	1.2
85.02888	3.9
86.06029	2.5
87.04491	1.5
96.56767	1.0
97.02902	2.6
98.06045	10.4
102.05537	6.6
104.07104	3.0
105.03410	1.0
109.02892	7.2
116.07094	48.7
120.06587	20.8
126.05490	1.7
127.03951	2.4
144.06564	69.5
145.02841	1.2
145.04953	3.4
161.59814	1.2
162.05521	1.9
162.07620	10.7
203.76311	1.1
224.32426	1.2
228.08701	1.6
234.09772	1.5
246.09767	2.0
264.10736	1.1
270.09735	12.3
288.10825	11.5
306.11868	6.7
431.95050	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3828
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05502	15.7
57.07069	14.5
60.90891	3.3
67.05502	23.9
69.07068	66.2
69.87724	9.3
69.88128	9.4
71.08643	4.5
73.62694	3.6
79.05478	13.8
81.07063	88.4
83.08614	23.7
83.64018	3.8
85.10175	4.3
91.05468	8.6
93.07060	35.0
95.08608	80.7
97.10166	9.1
105.07035	27.1
107.08592	52.8
109.10156	61.2
111.11724	8.6
111.97472	3.4
117.07033	6.3
119.08580	29.2
121.10144	45.4
123.11702	41.6
131.08582	11.4
133.10138	24.7
135.11684	21.3
137.13255	17.3
145.10121	13.5
147.11646	19.5
149.13251	25.8
152.09337	4.0
157.10172	6.7
159.11687	25.7
161.13260	13.3
163.14790	16.7
171.11618	5.4
173.13293	15.5
175.14844	11.0
177.16397	12.9
185.13268	4.0
187.14821	11.3
189.16327	10.4
191.17921	3.9
195.12334	5.3
201.16446	10.7
203.17949	13.6
215.17982	10.3
217.19511	7.9
227.17851	4.7
229.19510	14.3
231.21066	4.9
245.22557	5.0
257.22641	7.9
259.24210	12.2
271.24243	9.0
278.60925	3.7
299.27292	4.5
325.28894	4.2
327.30450	9.8
338.36026	3.6
344.10654	4.2
353.32040	5.5
409.38306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.0
57.06822	1.1
57.07077	13.9
67.05520	4.8
69.07073	11.7
69.19885	5.1
69.20290	1.8
70.94662	0.8
71.08637	9.7
79.05487	3.4
81.07062	14.0
83.08618	6.1
85.10186	6.6
91.05454	5.5
93.07066	5.4
95.04965	1.6
95.08614	8.6
97.06542	1.5
97.10178	4.5
105.07030	8.5
107.08605	5.1
109.10163	5.5
111.11716	1.0
115.05453	1.0
117.07027	2.9
119.08590	5.6
121.10117	2.2
123.11713	2.6
128.06229	1.7
129.07010	4.5
131.08578	5.1
133.10135	4.9
135.11685	1.8
137.13206	1.3
141.06992	1.3
142.07797	4.6
143.08560	7.4
145.10114	7.5
147.08064	2.8
147.11676	2.9
153.07011	2.1
154.07791	1.1
155.08559	11.1
156.09348	1.6
157.10133	22.3
159.11708	6.9
161.05910	1.3
161.09659	1.0
161.13272	1.5
165.06999	10.1
166.07784	1.7
167.08601	5.9
168.09306	2.4
169.10117	10.1
170.10957	1.1
171.08049	0.9
171.11719	6.5
173.09605	2.5
173.13268	2.0
175.11189	2.1
179.08554	6.5
180.09331	14.4
181.10139	10.4
182.10899	6.4
183.11697	14.4
185.13242	8.5
187.11346	0.9
187.14781	1.2
193.10144	3.7
194.10916	6.7
195.11705	71.3
196.12434	5.6
197.13252	17.7
198.13979	1.0
199.11201	1.0
199.14854	6.1
201.12740	3.6
201.16501	0.7
207.11775	3.3
208.12492	3.4
209.13263	28.3
210.13858	1.0
211.14822	21.8
211.83588	0.8
212.15419	0.9
213.12767	8.9
213.16383	3.8
215.14268	5.4
221.13319	5.4
222.14029	8.7
223.14801	9.0
225.16377	4.1
227.14317	8.7
227.17993	1.9
229.15887	1.3
235.14900	5.1
236.15544	2.9
237.16396	40.5
239.18011	2.5
241.15897	5.8
250.17166	1.5
251.17972	12.0
253.16003	1.2
253.19537	1.0
254.16797	1.7
255.17456	61.9
263.18033	0.9
265.19571	1.4
269.18982	6.0
279.21255	1.8
293.22662	3.4
297.22095	0.9
307.23962	1.3
349.28668	1.5
363.30496	1.9
365.32059	3.2
391.22726	3.4
391.33612	37.9
409.23419	3.3
409.34659	100.0
410.35077	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01858	2.4
55.05513	18.3
56.96561	1.9
57.07068	6.8
59.04988	2.8
65.03963	2.7
67.05508	21.1
69.03436	8.5
69.07087	8.0
69.74274	4.6
69.74693	4.7
71.04987	3.3
79.05499	23.8
80.06322	1.8
81.03395	2.2
81.07063	33.1
83.04977	6.4
85.06581	3.3
89.20847	2.0
91.05485	39.8
93.07054	53.1
95.04976	47.3
95.08617	26.2
96.87259	1.6
97.06534	9.2
98.21635	1.5
103.05472	6.0
105.07043	100.0
107.08602	27.4
109.06546	11.6
109.10158	9.2
111.82436	1.8
115.05460	2.6
117.07037	14.5
119.04960	3.1
119.08590	74.5
121.06521	16.9
121.10146	20.6
123.08069	15.0
123.11756	2.6
128.06204	6.6
129.07019	10.6
130.07793	3.8
131.08580	26.3
132.09302	2.8
133.06491	6.5
133.10132	20.1
135.08073	11.9
135.11688	4.5
137.09601	8.4
139.07571	1.9
141.06970	4.1
142.07811	12.6
143.08574	14.8
144.09302	3.6
145.06505	1.9
145.10152	30.1
147.08051	16.2
147.11703	48.1
149.09630	13.1
151.07570	18.2
153.06987	1.8
155.08577	7.4
156.09360	5.0
157.10123	24.3
158.10878	2.2
159.08061	7.0
159.11734	15.0
160.08774	2.0
161.09605	6.6
161.13286	6.1
163.11154	4.4
165.06993	2.4
165.09131	32.8
167.08575	3.0
168.09296	3.5
169.10152	11.7
170.10942	3.0
171.11717	7.7
173.09622	7.0
173.13254	9.4
175.11203	33.5
175.14816	1.8
176.51575	1.8
177.09106	5.3
177.12711	1.7
178.09863	2.9
179.08585	2.2
181.10144	7.1
181.12201	2.1
183.11737	12.1
185.09579	2.1
185.13219	5.0
187.11215	4.2
187.14778	1.8
189.12724	5.4
191.14301	2.1
195.11626	3.7
196.12506	3.0
197.13214	4.1
199.11276	2.6
201.12819	8.9
201.16373	2.5
203.14317	12.6
207.11830	3.0
207.13809	7.3
209.13261	3.9
209.15204	3.5
210.18382	2.1
211.14886	5.7
213.12802	2.0
213.16328	1.7
215.14311	2.6
219.13820	3.6
221.15382	77.2
223.14844	1.7
225.16411	2.8
229.15871	4.6
231.13811	3.0
231.74071	1.6
233.13289	2.4
233.15369	3.8
234.14127	2.0
234.16214	16.7
239.14198	1.8
253.15796	2.9
286.19089	2.6
287.20227	9.4
300.20850	5.3
329.21213	6.4
373.25040	2.9
391.26413	6.5
409.19119	2.0
409.22562	2.6
409.27435	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
50.32840	1.4
53.03941	4.8
54.07754	1.5
55.01863	4.1
55.05511	16.1
57.03402	1.8
57.07066	6.0
59.05008	2.6
65.03952	2.0
67.05508	21.2
69.03426	8.0
69.07066	8.9
69.90244	6.4
69.90649	3.7
77.03905	1.7
79.05498	22.7
81.03423	4.3
81.07066	35.1
83.04966	5.8
83.08635	2.2
85.06539	5.0
91.05486	38.0
93.07050	52.2
95.04970	49.9
95.08610	29.2
97.06525	11.1
103.05478	3.4
105.07035	100.0
107.05000	2.3
107.08600	33.5
109.06551	14.4
109.10142	10.9
111.08036	1.7
113.09665	2.9
115.05423	5.1
117.07028	12.7
119.08587	66.9
121.06499	17.8
121.10146	19.4
123.08077	19.2
123.11734	2.9
125.09625	2.0
128.06233	4.6
129.07016	9.9
130.07796	6.1
131.08575	25.2
133.06468	4.1
133.10152	20.2
135.08054	15.7
135.11700	5.8
137.09586	9.9
141.07008	5.4
142.07777	12.6
143.08551	23.6
144.09341	6.2
145.06470	4.0
145.10136	45.1
146.10907	2.3
146.94075	1.9
147.08063	14.1
147.11690	35.3
149.09627	10.7
151.07553	19.7
153.06981	1.9
153.09094	4.6
155.08525	9.0
155.10733	2.7
156.09348	6.1
157.10146	26.1
158.10840	2.5
159.08067	6.6
159.11711	16.9
159.67596	2.0
160.08824	2.1
161.09639	9.0
161.13251	5.4
163.11182	4.6
165.07059	2.3
165.09120	30.1
167.08615	3.3
168.09309	7.7
169.10133	13.5
170.10944	4.5
171.08061	2.2
171.11705	13.9
172.08786	2.2
173.09627	7.0
173.13268	8.3
174.10371	1.9
175.11200	29.3
175.14795	2.3
176.03624	2.0
177.09093	5.1
179.08598	3.5
180.09322	2.2
181.10114	6.5
181.12262	2.8
182.10902	2.4
183.11690	14.4
185.09648	3.7
185.13248	6.5
187.11229	3.7
187.14806	3.3
189.12738	4.7
191.14226	2.1
193.10240	3.1
194.10942	2.2
195.11682	7.6
196.12517	3.0
197.13301	5.9
199.11220	4.6
199.14883	4.3
199.54822	1.5
201.12769	7.3
201.16512	2.5
203.14279	13.4
207.11864	3.8
207.13611	7.8
208.12508	2.1
209.13289	5.0
209.15393	6.2
211.11119	2.1
211.14864	4.7
213.12781	4.2
213.16422	2.8
215.14348	3.8
216.15163	2.4
219.13779	4.3
221.13429	2.8
221.15364	68.1
223.14821	5.1
225.12785	2.9
227.14296	2.5
229.15833	5.8
231.13786	2.7
233.15297	4.1
234.16147	16.2
239.14317	2.1
253.15869	3.0
267.17694	2.1
286.19348	4.1
287.20044	7.3
300.20758	5.8
329.21164	5.0
391.26694	9.6
409.12680	5.9
409.27414	47.6
409.35284	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	409.2737
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03936	4.1
55.05513	22.5
57.01712	3.8
57.07070	7.4
59.04976	5.2
67.05519	27.3
69.03432	7.4
69.07059	9.2
69.63255	21.2
75.16312	3.5
77.03922	4.5
79.05489	23.1
81.03462	3.6
81.07063	43.1
83.04979	6.3
83.08643	7.6
85.06528	6.0
91.05490	43.0
93.07048	59.0
95.04977	59.7
95.08621	38.4
97.06549	13.7
105.07032	100.0
107.08607	36.1
109.06495	13.3
109.10167	19.3
115.05450	4.1
117.07021	12.1
119.08579	71.7
121.06506	19.0
121.10127	23.1
123.08076	22.9
123.11706	4.2
128.06232	6.1
129.07007	11.9
131.08562	26.2
133.06519	5.2
133.10164	24.8
135.08086	14.7
135.11723	6.5
137.09674	8.6
141.06973	4.4
142.07759	16.6
143.08533	25.1
145.10141	54.5
147.08061	15.2
147.11685	41.8
149.09615	12.8
151.07530	26.1
155.08543	10.5
156.09389	6.0
157.10132	34.3
159.08025	11.0
159.11728	20.0
161.09645	11.0
161.13298	6.0
163.11166	6.9
165.09096	40.5
169.10133	15.4
170.10910	4.0
171.11726	17.7
173.09654	5.7
173.13232	7.3
175.11171	24.4
181.10239	8.7
183.11674	14.6
185.13258	8.4
187.11232	8.1
187.14833	4.6
189.12823	6.3
191.14363	4.1
195.11714	5.4
197.13275	8.3
199.14604	4.2
201.12709	10.4
203.14278	17.9
207.13835	10.4
209.13245	6.2
209.15370	3.7
211.14777	8.5
213.12892	5.6
219.13802	5.6
221.13371	7.4
221.15376	84.9
223.14856	3.5
229.15991	6.3
231.13768	5.1
234.16089	15.8
241.15727	4.2
286.19220	4.4
287.19931	9.7
300.20944	8.6
329.21063	6.9
354.35748	3.5
391.26208	6.8
409.27386	85.7
409.33652	5.3
409.34518	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40811	1.6
53.03934	5.2
55.01868	2.8
55.05511	20.0
57.03451	1.8
57.07062	5.8
59.04991	2.7
63.65139	1.7
65.03935	3.1
67.05508	21.2
67.82841	1.6
69.03426	8.6
69.07059	6.2
70.79199	4.1
77.03909	2.3
79.05501	21.7
81.06590	2.3
81.07063	33.9
83.04985	5.9
85.06572	4.2
91.05485	33.4
93.07050	49.9
95.04972	47.1
95.08615	23.6
97.06546	8.4
103.05478	3.4
105.07039	100.0
107.04953	2.0
107.08603	24.0
108.05689	2.1
109.06530	13.5
109.10157	8.8
111.08101	3.4
115.05467	2.8
117.07026	15.3
119.04920	2.2
119.08591	65.1
121.06499	18.4
121.10131	15.1
123.08077	13.4
128.06229	5.5
129.07024	11.4
130.07796	3.4
131.08571	20.7
133.06493	5.7
133.10144	17.1
135.08066	11.3
135.11685	3.8
137.09608	6.7
141.07005	3.4
142.07802	12.1
143.08609	16.2
144.09386	5.1
145.06482	3.2
145.09026	3.4
145.10132	38.9
147.08034	17.5
147.11700	44.9
149.09608	10.4
149.13231	2.6
150.10442	2.7
151.07550	16.5
155.08582	7.2
156.09340	4.7
157.10124	19.2
158.10905	2.0
159.08070	7.6
159.11681	12.4
159.23364	1.5
161.09608	9.2
161.13261	5.0
163.11192	4.1
165.09134	28.2
166.07820	2.7
167.08588	3.6
168.09355	5.0
169.10188	9.0
170.10916	2.4
171.11700	6.6
173.09625	5.1
173.13240	7.8
175.11205	40.5
175.14864	2.7
177.09167	3.8
179.10591	1.9
180.09454	1.7
181.10164	3.9
183.11734	9.9
185.13278	6.7
187.11224	4.1
187.14825	4.1
189.12779	6.4
191.14339	3.0
193.10133	3.7
195.11726	4.6
196.12506	3.1
197.13254	4.0
199.11249	3.6
201.12756	7.1
201.16409	2.3
203.14276	14.9
207.11798	3.0
207.13765	7.3
209.13251	4.1
209.15369	4.8
210.14047	1.9
211.11266	1.7
211.14845	4.3
213.12810	3.2
215.14328	3.3
219.13773	5.6
221.13593	2.5
221.15381	71.9
225.16206	2.4
227.14433	2.3
229.15881	4.7
231.13794	3.8
234.16187	20.4
237.12871	1.9
253.15855	2.9
263.17905	1.8
281.18576	1.8
282.19882	1.7
286.19360	2.1
287.20041	7.7
299.20120	3.6
300.20859	5.2
327.40128	1.7
329.21182	5.3
391.26303	3.8
409.27399	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.1
55.01870	6.8
55.05512	34.7
57.03434	11.4
58.99583	12.5
60.99161	8.4
61.45987	5.0
67.05501	23.2
67.75117	4.6
69.03433	19.2
69.07074	11.7
69.53593	12.9
69.53992	30.2
71.05003	38.1
76.02217	5.7
76.93477	5.2
79.05497	25.1
81.03423	6.5
81.06641	7.7
81.07065	68.5
83.04989	6.3
83.08635	31.7
84.04504	31.3
84.08944	10.6
85.02908	36.3
85.04823	12.6
85.06526	11.3
85.65740	5.2
87.04459	5.5
91.05495	27.6
93.07049	32.3
95.04987	8.6
95.08615	64.3
97.02872	7.9
97.06522	19.2
97.10147	6.8
101.05994	11.2
105.07023	46.7
107.04944	7.2
107.08597	27.7
109.02876	8.8
109.06496	7.1
109.10174	35.5
111.04470	11.3
111.08103	9.1
115.03805	5.9
115.07544	21.1
116.01723	31.7
116.02387	4.9
117.02049	10.9
117.07051	5.9
118.01280	11.2
119.04954	5.1
119.08585	66.9
121.10161	27.8
123.08089	6.4
123.11700	13.1
124.07572	5.9
125.05983	17.1
127.03919	19.6
127.07628	6.7
129.05496	16.3
130.04958	8.5
131.05373	6.1
133.10139	73.1
135.11682	16.5
136.07637	7.9
137.05972	13.5
137.09665	5.5
144.01112	7.4
147.11642	25.0
149.06041	7.7
149.13254	18.8
151.03947	17.2
151.11163	10.6
158.08044	7.3
159.08383	22.2
160.08759	9.7
162.02242	49.2
163.02499	23.7
163.14839	14.7
169.12267	12.5
175.11156	6.8
175.14827	100.0
189.09157	7.1
193.12296	9.7
193.15877	71.6
195.06456	6.9
199.16985	5.9
211.13388	18.3
211.16913	90.0
229.12445	6.1
229.14339	35.4
229.17981	22.1
247.11427	5.7
247.15413	21.6
247.19130	25.8
260.11526	11.1
261.10989	16.4
262.11069	57.0
263.11334	26.1
279.13788	10.5
280.13968	13.5
285.08612	13.1
289.08139	8.5
313.08099	19.8
331.09259	16.0
331.12869	8.9
349.10242	15.2
377.09808	12.7
409.11737	12.6
409.18533	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.9
55.01850	2.9
55.05510	44.5
56.05022	4.8
56.05856	13.5
56.96573	2.2
57.03427	10.2
58.65171	2.5
58.99582	24.7
60.99159	2.7
61.02923	4.7
67.05511	15.9
69.03427	8.1
69.07053	11.4
70.06588	4.2
70.99432	2.5
70.99802	1.9
71.04990	17.9
72.08150	3.1
75.38662	2.0
76.02221	12.8
76.04005	3.7
78.01790	8.8
79.05486	11.8
81.03408	3.7
81.07060	43.9
82.07389	3.7
83.04978	5.6
83.08616	56.2
84.04507	34.2
84.08959	19.8
85.01099	2.6
85.02908	17.0
85.04832	10.9
85.06522	5.4
86.09716	4.1
86.99051	14.7
87.04464	4.3
87.99404	2.3
88.02211	3.3
88.98649	3.1
89.92806	2.3
91.05497	12.1
93.07053	15.9
95.04930	2.7
95.08614	34.3
97.02888	6.9
97.06538	9.6
97.10183	4.6
98.09685	4.4
99.04432	4.4
99.05579	2.5
99.08113	4.8
99.10013	2.7
99.22533	2.2
101.06014	6.6
101.09653	3.0
103.03959	3.3
105.07041	26.3
107.08595	20.6
109.02898	4.7
109.10160	24.2
111.04445	4.9
111.08086	8.5
113.04240	2.7
115.03895	4.1
115.07576	9.0
116.01680	70.8
117.02081	19.1
117.06956	2.8
118.01244	9.6
119.08583	40.0
120.08119	3.1
121.06522	3.6
121.10133	10.7
123.11708	4.7
124.07623	2.7
125.06004	6.2
125.07899	2.8
127.03928	8.9
127.07558	4.0
129.05513	5.5
129.06482	4.7
130.04982	7.5
130.06833	3.0
131.05347	2.9
133.10138	32.4
133.51526	2.5
135.11700	9.4
137.05939	3.2
137.13268	6.6
142.03224	5.2
144.01161	32.7
145.01535	12.8
145.04958	5.9
145.06062	3.4
145.10112	2.9
147.11649	15.7
149.13277	5.4
151.11197	5.2
156.10188	4.6
157.10378	3.2
158.08003	4.8
159.08391	40.2
160.08701	22.3
162.02203	100.0
163.02560	45.8
163.14819	9.9
164.01785	7.9
169.12280	3.4
175.11339	3.0
175.14830	65.2
176.11174	5.3
177.09358	3.0
177.11247	2.4
193.12268	3.3
193.15868	41.1
199.16876	5.0
211.13434	3.7
211.16930	54.5
211.18791	4.8
219.10095	5.7
229.14270	13.9
229.17964	13.4
244.01053	2.6
247.15433	4.6
247.19064	11.5
259.10944	4.7
260.11417	7.9
261.10620	16.7
262.11075	55.1
263.11438	60.2
279.13782	11.1
280.14139	27.0
285.08633	4.4
290.72687	2.5
313.08112	4.2
331.09149	6.9
331.12778	5.3
333.10626	3.5
333.14520	3.1
334.15295	11.4
344.26074	2.9
349.10022	4.3
377.09839	2.7
409.11118	13.6
409.17145	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	409.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00253	3.7
54.09040	3.5
55.01860	4.1
55.05506	6.5
56.96543	5.4
64.68935	4.0
66.75916	4.1
67.05495	14.3
69.03416	8.0
69.07045	9.7
69.28999	11.9
69.29421	23.0
71.04983	5.5
79.05470	13.4
81.03404	11.3
81.07044	16.7
83.04960	4.9
90.67175	3.6
91.05482	16.8
93.07059	23.8
95.04984	21.3
95.08597	18.5
95.27504	3.7
103.05457	3.4
105.07029	24.5
107.04887	6.7
107.08604	12.8
109.06502	6.1
109.10135	6.2
115.05432	5.6
117.07029	9.1
119.08603	27.8
121.06476	16.9
121.10138	5.8
123.08031	6.3
123.11700	3.4
128.06201	10.7
128.80325	3.3
129.06985	4.7
130.07713	4.7
131.04927	14.0
131.08559	10.9
133.06509	8.8
133.10088	13.9
133.33031	3.9
134.57623	4.0
135.08006	11.9
137.09651	4.5
141.06981	7.2
142.07805	26.5
143.08528	22.7
145.10071	17.3
147.08115	18.2
147.11594	4.4
147.96111	3.3
149.09648	7.2
153.07005	6.0
155.08521	15.5
156.09360	5.1
157.10129	41.6
159.08096	8.5
159.11658	10.1
161.09630	10.5
163.07538	11.2
165.07060	7.8
165.09053	7.2
166.07686	4.1
167.08536	8.7
169.10107	28.7
170.07243	12.1
171.11699	12.2
173.09624	53.1
175.11107	6.0
179.08553	10.2
180.09258	7.5
181.10143	16.3
182.10835	6.4
183.11659	27.5
185.09616	53.8
185.13219	4.5
187.11226	8.1
189.08990	4.2
193.10069	14.9
194.10944	5.9
195.11653	14.7
197.09598	5.5
197.13341	22.6
199.11134	8.1
206.10867	6.4
207.11636	10.8
208.12393	4.7
209.09772	4.4
209.13264	6.9
211.14757	8.2
213.12592	4.3
216.95937	3.8
217.10155	4.1
219.11678	6.9
220.12552	4.6
221.13208	17.0
221.15184	5.6
223.10960	4.6
223.14796	15.6
225.12764	8.9
227.14261	6.7
229.15825	4.7
231.11583	7.5
232.12392	8.5
233.13264	9.0
234.14178	4.2
235.11224	4.8
235.14813	4.6
237.12677	6.8
239.14331	6.6
241.15871	8.5
243.11765	5.1
244.12428	3.9
245.13223	4.3
247.11188	5.0
247.14857	9.1
249.12715	4.4
249.16306	4.2
251.14177	5.4
253.15819	3.7
257.13187	6.3
259.14813	10.0
261.12738	5.7
261.16434	7.1
268.38626	4.4
272.15451	4.2
274.13721	4.9
275.14276	5.7
275.17896	6.1
277.15900	11.8
277.18854	4.0
278.77045	3.8
279.14120	3.7
279.17365	8.0
285.12466	3.9
287.14417	6.1
287.17804	4.6
289.15915	24.1
299.14316	4.8
303.17230	6.5
313.16022	3.7
315.17438	27.6
319.20386	6.6
327.17389	4.9
329.19034	20.2
331.17014	4.9
337.21625	5.5
343.20508	34.1
345.22153	7.6
347.20001	3.9
355.20575	55.9
361.21500	24.1
373.21606	100.0
391.17853	4.2
391.22699	86.5
409.19806	45.9
409.24643	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	409.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78356	1.2
55.01873	2.2
55.05495	4.5
57.03437	3.1
67.05499	7.3
69.03438	6.5
69.07087	3.1
71.04992	18.4
71.55120	1.7
79.05515	6.9
81.07060	10.1
83.04997	2.5
83.08614	3.6
84.04514	1.7
84.08119	1.3
85.02902	8.0
85.06564	6.5
85.07034	1.2
91.05476	6.6
93.07043	3.3
95.04978	3.0
95.08627	3.5
95.09280	1.2
97.02898	3.0
97.06567	7.3
99.08159	1.7
105.07044	6.2
107.04939	1.6
107.08606	5.7
109.06514	2.9
109.10165	5.3
111.04446	10.1
111.08154	1.7
117.17625	1.4
118.01263	2.1
119.08603	6.8
121.10148	3.9
123.08067	3.5
123.11716	3.2
124.07629	2.0
125.05972	3.1
125.09658	2.8
127.03920	4.2
129.05479	11.3
131.08545	3.0
133.06502	1.5
133.10146	16.1
136.07597	2.7
142.00786	1.4
143.07056	2.3
145.04941	2.6
147.04359	1.5
147.11699	6.2
149.09622	2.6
151.11150	6.1
155.07034	2.2
157.10193	1.5
164.01828	1.5
169.12204	11.5
175.11194	5.1
175.14743	2.4
182.68266	1.3
187.05103	1.4
193.12270	12.9
211.13304	18.0
211.16916	3.6
215.08307	1.4
216.10193	1.6
219.10255	3.7
229.14362	31.0
229.17960	1.4
243.07758	2.4
247.15433	18.5
257.09277	1.9
260.11353	1.7
261.10806	3.0
262.11206	5.5
285.08768	5.4
289.08279	2.6
303.13522	2.1
313.08240	5.2
315.09583	1.8
331.09180	7.3
331.12952	5.3
333.10825	2.5
349.10291	8.2
359.08670	2.2
369.36652	1.4
377.09741	3.2
391.10995	3.5
391.18887	1.8
409.12286	4.8
409.18353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
63.90699	0.3
67.05505	0.6
69.07059	0.9
69.60344	2.2
79.05455	0.4
81.07043	0.5
83.08584	0.4
85.02903	0.5
85.94169	0.3
89.03154	0.3
91.05454	0.4
95.04993	0.5
105.07034	0.5
107.08572	0.4
109.10151	0.8
110.48199	0.3
111.77055	0.3
119.04790	0.4
119.08562	0.6
123.04389	0.4
127.03927	0.6
131.08562	0.4
138.34346	0.3
151.07529	0.6
154.93245	0.3
162.06578	0.9
173.05757	1.6
180.60223	0.3
183.11717	0.4
203.05249	3.5
229.11981	7.0
231.13565	0.5
247.13113	3.3
250.60352	0.3
269.30249	0.5
364.77838	0.3
409.18341	100.0
410.14005	0.5
410.18866	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.7
55.05501	0.7
60.04527	0.5
67.05482	0.6
69.03402	1.2
69.07059	0.6
70.06631	0.4
70.07858	1.8
71.69434	0.5
72.08155	0.7
81.03404	0.7
81.07068	1.0
85.02909	1.2
93.07024	0.9
95.04979	0.7
95.08596	1.4
97.02893	0.8
99.04448	0.9
105.07020	0.8
107.04944	0.7
107.08567	1.0
109.02883	0.8
119.08574	1.1
120.08111	1.0
125.09586	0.6
127.03912	2.1
131.08574	0.6
137.05919	0.6
147.11685	0.8
152.67415	0.5
159.11293	1.3
160.07619	1.1
175.14861	0.9
187.05014	2.1
193.15865	0.8
199.08661	0.8
201.06627	1.2
203.05287	1.4
211.08565	1.0
211.16890	0.6
215.08101	1.6
219.49686	0.6
225.06696	0.9
229.06058	1.3
229.12065	0.8
230.06749	0.7
239.08188	2.5
243.07680	2.9
245.09268	0.8
248.12744	0.6
253.06047	0.8
254.06845	0.7
257.09180	2.8
259.07059	1.0
261.08676	1.1
267.07581	2.0
268.15570	0.6
269.09259	1.2
271.07150	2.7
273.08734	0.8
285.08710	8.3
287.10052	0.6
289.08182	5.3
295.07144	1.1
297.08716	2.0
303.09753	2.4
307.09265	1.3
313.08142	9.7
315.09818	3.4
331.09253	14.6
333.10873	3.2
341.07721	1.2
349.06213	0.7
349.10336	11.4
359.08563	2.4
367.11319	1.8
377.09781	6.3
391.11124	5.2
409.12494	11.5
409.18289	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	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
55.05506	0.6
67.05493	0.8
69.07082	0.4
69.71490	2.6
71.04983	0.8
79.05518	0.6
81.03391	0.6
81.07058	0.8
83.08620	0.5
85.02906	1.0
91.05429	0.4
93.07023	1.2
95.04955	0.5
95.08614	0.5
97.02882	0.6
99.04479	0.4
103.03993	0.5
105.07027	0.6
107.04968	0.8
107.08602	0.4
109.02885	0.6
109.06541	0.6
109.10185	0.4
119.08550	0.6
120.08086	1.1
121.53127	0.4
123.11753	0.5
125.09602	0.5
127.03892	1.2
135.07970	0.5
137.09541	0.4
143.10558	0.5
148.86101	0.4
159.08029	0.4
159.11319	0.5
175.14778	0.5
187.05028	1.6
201.06590	0.5
203.05228	1.4
211.08665	0.7
211.13319	0.7
211.16974	0.7
212.13724	0.4
215.08157	1.7
223.10861	0.5
227.08234	0.6
229.06320	0.5
229.12013	1.2
231.13699	0.5
239.08197	1.7
243.07668	2.1
245.09189	0.6
247.13080	0.9
247.19063	0.4
248.12694	0.9
257.09216	1.6
261.08749	1.5
267.07614	1.8
269.09177	1.4
269.80182	0.4
271.07239	1.8
281.71121	0.5
285.08713	5.2
289.08191	3.7
295.07040	1.1
297.08682	1.7
303.09641	1.4
307.09116	1.1
313.08176	7.3
315.09882	2.2
331.09192	9.0
333.10825	1.9
349.10294	7.0
359.08658	2.0
367.11243	1.5
367.15585	0.4
377.09775	4.9
391.11377	3.7
391.15518	0.6
404.53900	0.4
409.12512	8.0
409.18298	100.0
410.18558	1.1
427.76849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.5
53.01360	0.4
53.03944	0.9
55.01858	1.1
55.05510	0.7
57.03427	2.0
61.02917	1.2
64.78366	0.5
67.05485	1.8
67.92739	0.4
69.03093	0.5
69.03436	7.2
69.07050	0.6
69.84644	2.4
70.06587	0.9
71.04990	1.3
73.02914	1.5
79.05479	2.0
81.03421	5.6
81.07050	1.8
83.04974	1.3
84.08147	0.6
85.02426	0.7
85.02911	9.7
85.06511	0.6
86.06058	1.0
86.09679	0.6
87.04442	0.9
91.05492	7.2
93.07034	1.7
95.04974	0.9
95.08607	1.0
97.02901	2.8
97.06522	1.2
99.04444	0.8
103.05387	0.7
105.07036	10.6
107.08587	2.2
109.02861	4.3
115.05458	1.8
116.06277	0.6
117.07010	4.4
119.08602	3.8
121.06503	1.0
123.08039	1.0
125.09647	0.5
127.03904	3.7
127.11156	0.9
128.06209	3.4
129.07010	9.2
130.07779	1.7
131.08571	30.8
133.06505	1.1
133.10118	4.6
135.08073	0.8
135.11667	0.7
140.24953	0.5
141.06996	1.0
142.07776	6.6
143.08566	14.5
145.06491	1.0
145.10126	23.8
147.08055	5.5
147.11687	3.9
152.79370	0.5
153.06972	0.7
155.08560	15.1
157.06458	2.0
157.10132	17.6
159.08066	2.6
159.11662	1.3
159.64841	0.5
161.09660	3.2
167.08528	0.7
167.80954	0.5
168.66273	0.5
171.08044	11.3
173.09630	27.6
175.11191	15.0
177.09085	1.9
183.08066	5.3
185.09604	2.2
187.11198	0.8
189.09109	26.0
191.10666	7.1
201.09116	14.6
203.10608	0.9
217.08591	4.6
219.10168	100.0
220.10547	1.3
229.08665	1.4
229.14299	0.5
231.10257	0.5
235.09656	2.3
237.11200	2.3
247.09663	4.9
247.13448	0.6
261.11230	0.8
265.10699	5.2
343.11740	0.6
361.12820	7.2
363.14316	0.8
381.15445	1.8
391.13629	2.6
391.18484	0.5
409.14529	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	409.0534
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47517	16.9
66.96940	15.2
67.25092	14.8
69.03415	28.4
69.90009	27.5
69.90405	52.2
85.82607	16.0
86.93710	19.9
97.02911	27.3
98.97585	47.0
100.84306	18.0
101.00867	63.7
105.03365	40.1
110.36884	18.4
116.07080	24.9
119.01899	48.4
127.03935	25.2
129.74249	15.4
131.01883	36.3
133.03438	31.0
143.01900	80.4
145.03526	17.4
147.04382	28.1
149.05945	19.5
155.01823	41.5
158.99641	24.0
161.02968	100.0
168.99901	21.6
171.01378	17.0
173.02937	59.3
177.05424	81.2
185.02959	25.4
199.03590	30.4
217.02052	23.5
221.04919	20.9
231.03491	34.1
233.02792	46.4
245.04958	36.7
275.02441	24.2
275.81848	16.3
289.03876	54.5
307.04984	53.7
345.52435	17.0
409.05264	78.0
409.10373	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	409.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.2
55.05511	2.6
67.05494	4.0
69.03417	4.9
69.12247	1.8
70.06592	2.6
70.44668	4.0
70.45019	2.9
71.04978	4.9
72.08146	1.7
73.58576	1.7
79.05483	3.0
81.03409	3.2
81.07047	5.9
81.26559	1.7
83.08607	1.7
83.85964	1.6
85.02903	5.0
85.06548	3.8
91.05475	3.2
93.07045	4.4
95.04981	3.5
95.08607	3.4
97.02900	2.0
97.06513	3.4
105.07026	5.1
106.07307	1.8
107.08579	1.9
109.06496	2.2
109.10145	2.2
119.08566	2.1
120.08115	5.1
124.07594	3.7
125.09628	2.5
127.03880	2.7
129.07018	2.0
131.08539	1.5
133.10117	5.1
134.10474	2.0
135.11699	2.6
136.07605	2.2
142.08614	3.1
142.43581	1.6
144.04337	2.0
172.07655	2.1
175.14813	3.1
179.10597	1.8
185.07178	2.8
187.05020	12.6
189.06618	2.1
193.12300	2.2
193.15956	2.3
194.12575	1.6
195.09030	1.9
196.07648	3.3
197.07097	3.3
199.08751	2.2
200.07085	2.5
201.06592	7.9
205.09702	3.5
206.11807	3.5
211.05023	4.8
211.08664	8.4
211.13301	5.8
211.16914	2.3
212.13615	5.4
213.10205	2.4
214.08664	3.0
215.08189	11.2
217.09723	2.7
219.09972	1.7
224.12807	5.3
225.06601	4.8
226.07199	4.1
227.08121	1.9
229.06070	7.2
230.06888	3.4
233.09148	5.1
239.08145	18.3
241.06079	2.0
241.09726	7.4
243.07681	29.9
245.09163	3.2
253.06090	6.0
254.06754	4.6
257.09235	16.5
259.07104	2.1
259.10516	1.7
261.08707	13.9
267.07712	17.1
268.15421	6.9
269.09335	7.7
271.07144	20.4
273.08655	7.0
285.08701	62.7
287.10281	2.1
289.05203	2.8
289.08206	38.5
295.07083	5.7
297.08725	14.0
301.11823	1.9
303.06573	2.3
303.09811	22.6
307.09332	10.4
313.08179	74.3
315.09744	30.1
317.07684	3.5
330.25735	1.7
331.09253	100.0
333.10803	19.4
335.08951	1.8
341.07526	9.4
349.10303	92.4
359.08765	18.5
367.11487	15.8
377.09830	48.8
377.14609	2.7
391.11240	36.9
391.15289	2.4
409.12347	81.0
409.18311	35.6
409.23749	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	408.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92062	4.2
55.05520	7.6
59.62670	5.0
60.24588	4.0
67.05504	13.7
69.07059	6.9
69.33627	38.4
79.05483	10.6
81.07054	15.4
91.05499	25.7
93.07051	26.8
95.04964	8.0
95.08603	7.4
103.05486	5.2
105.07021	19.4
106.07359	5.8
107.08599	11.8
109.10172	16.2
112.31551	5.3
117.06995	10.7
119.08595	19.8
120.08871	4.5
121.10144	14.6
123.08093	4.2
123.11730	6.6
129.07005	8.0
131.04912	6.4
131.08571	15.0
133.10149	17.3
135.11729	8.6
143.08551	11.1
145.10139	20.7
147.08038	12.2
147.11682	28.1
149.09590	13.9
150.09973	7.6
157.10088	15.9
159.11717	14.7
161.09676	5.5
161.13283	15.9
169.09996	5.7
171.11717	9.3
173.13319	5.9
175.14755	5.1
183.11623	6.8
185.13278	7.5
187.14874	13.0
195.57399	4.7
197.13243	5.9
199.14832	13.4
209.13203	7.0
210.10115	4.6
210.13660	7.0
211.14835	5.9
213.16394	11.9
231.17426	21.6
243.21085	7.5
250.17221	5.1
257.22787	6.0
267.21121	16.5
268.62186	5.0
285.22147	100.0
295.20609	6.2
313.21707	11.9
331.22757	93.4
334.18842	6.4
390.21567	10.8
408.22672	48.9
409.24435	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	408.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
54.96846	1.0
55.01874	1.9
55.05513	5.8
57.03434	2.8
57.07077	1.8
57.07348	0.9
60.51913	0.9
61.02931	1.4
67.05511	8.0
69.03429	6.3
69.07076	10.0
70.83891	3.0
71.04984	3.3
71.08641	1.2
72.67882	0.9
79.05506	2.3
81.03421	4.1
81.07061	16.9
83.04977	3.1
83.08624	6.0
85.02905	17.6
85.06540	2.9
87.04453	1.0
91.05486	4.6
93.07062	9.6
95.04947	1.5
95.08617	23.6
97.02897	3.7
97.06512	2.1
97.10165	2.5
98.88833	1.1
99.04419	2.0
99.08093	5.3
105.07036	8.6
107.08599	16.4
109.02876	2.4
109.06539	3.9
109.10166	43.8
111.08091	2.4
119.08591	52.3
121.02892	6.1
121.10156	16.9
123.08096	5.2
123.11737	9.8
125.09611	2.0
127.03938	4.2
131.08540	1.6
133.10132	29.0
135.11705	28.7
137.09633	11.8
137.13283	2.0
139.11201	2.3
145.04955	1.9
147.04514	1.1
147.11679	2.9
149.13269	5.7
151.11188	3.8
151.14827	3.9
152.07002	1.2
155.10670	3.3
163.14787	1.6
165.16377	8.6
167.10706	1.7
167.14337	4.9
175.14838	52.4
187.13326	1.3
193.15897	100.0
201.05356	1.9
211.13684	5.9
211.16946	55.2
229.18039	4.4
246.11270	10.0
306.56177	1.0
339.51407	1.1
408.17621	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01873	1.8
55.05514	4.4
57.03430	3.2
57.07070	1.4
59.04988	1.7
61.02912	1.4
67.05503	5.2
69.03437	3.9
69.07068	6.6
70.06590	2.3
71.05000	2.2
71.55421	1.5
71.56702	1.0
76.37270	0.9
79.05502	3.9
81.03416	4.2
81.07062	9.8
83.04987	2.9
83.08633	2.4
84.04492	1.1
85.02910	10.7
85.06556	3.3
86.09673	1.4
88.21979	1.0
91.05469	2.3
93.07039	7.8
95.04982	1.2
95.08613	13.2
95.54566	1.2
97.02901	3.1
97.06543	2.1
97.10142	1.2
99.04489	1.3
99.08086	1.9
105.07030	5.6
107.08592	13.5
109.02853	3.4
109.06516	3.3
109.10167	20.1
111.04444	2.3
111.08083	3.1
119.08568	11.2
120.08137	2.5
121.06549	1.3
121.10154	12.8
123.08064	3.9
123.11685	8.9
125.09636	5.4
127.03929	2.6
131.08565	2.4
133.10136	28.7
135.11699	12.1
136.07564	1.7
137.09622	8.6
137.13293	1.5
141.62537	1.0
143.10738	1.7
145.04951	2.0
147.11662	1.9
149.09662	1.4
149.13287	6.9
151.11191	12.7
151.14809	7.0
159.08032	1.3
165.16385	4.2
167.10640	1.3
167.14439	1.1
175.14828	27.5
179.10635	7.4
193.12218	3.1
193.15887	100.0
211.13614	11.5
211.16936	91.4
219.10139	1.3
228.13748	2.3
246.15196	1.2
376.11801	1.8
408.13458	0.9
408.19504	1.4
408.27939	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	408.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.1
57.03443	4.1
57.07080	1.5
58.81264	0.9
61.02932	1.0
67.05518	5.2
69.03430	3.9
69.07072	13.7
70.06592	1.0
71.04985	1.3
71.08638	1.3
71.55479	1.7
73.02907	0.9
79.05492	1.3
79.22496	0.8
79.97959	0.8
81.03413	1.0
81.07050	8.4
83.04994	2.1
83.08612	5.9
85.02908	12.8
85.06547	3.4
86.09718	1.8
91.05486	2.6
93.07039	4.6
95.04966	1.6
95.08614	16.2
97.02901	3.3
97.06519	4.2
97.10184	2.1
99.08102	3.7
101.06007	0.9
105.07045	3.1
107.08587	10.3
109.02883	1.0
109.06554	1.7
109.10164	25.8
111.08118	2.1
111.11693	0.9
113.09612	1.0
119.08586	11.1
120.08103	2.9
121.10147	10.4
123.08091	2.8
123.11719	7.5
125.06033	1.3
125.09658	2.2
127.03896	2.9
127.11160	1.7
128.14430	0.9
132.10161	0.9
133.10146	14.6
135.11705	13.1
136.06166	1.2
137.09644	4.9
137.13264	2.2
139.11195	2.3
143.10675	3.5
145.04977	2.0
147.11685	1.8
149.13264	4.3
150.07690	1.1
151.11212	2.0
151.14793	5.2
155.10680	7.0
160.07571	2.9
163.14830	1.7
165.16394	8.2
167.14354	3.9
175.14833	24.3
180.64272	0.9
193.12273	1.2
193.15886	31.5
211.13452	4.1
211.16942	100.0
212.17284	1.4
228.10262	1.9
229.14436	1.8
229.18005	10.9
229.91937	1.0
231.11224	1.1
246.11305	2.0
264.14655	1.2
358.17792	0.8
390.26505	1.2
408.27606	1.9
409.18939	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
54.96846	1.0
55.01874	1.9
55.05513	5.8
57.03434	2.8
57.07077	1.8
57.07348	0.9
60.51913	0.9
61.02931	1.4
67.05511	8.0
69.03429	6.3
69.07076	10.0
70.83891	3.0
71.04984	3.3
71.08641	1.2
72.67882	0.9
79.05506	2.3
81.03421	4.1
81.07061	16.9
83.04977	3.1
83.08624	6.0
85.02905	17.6
85.06540	2.9
87.04453	1.0
91.05486	4.6
93.07062	9.6
95.04947	1.5
95.08617	23.6
97.02897	3.7
97.06512	2.1
97.10165	2.5
98.88833	1.1
99.04419	2.0
99.08093	5.3
105.07036	8.6
107.08599	16.4
109.02876	2.4
109.06539	3.9
109.10166	43.8
111.08091	2.4
119.08591	52.3
121.02892	6.1
121.10156	16.9
123.08096	5.2
123.11737	9.8
125.09611	2.0
127.03938	4.2
131.08540	1.6
133.10132	29.0
135.11705	28.7
137.09633	11.8
137.13283	2.0
139.11201	2.3
145.04955	1.9
147.04514	1.1
147.11679	2.9
149.13269	5.7
151.11188	3.8
151.14827	3.9
152.07002	1.2
155.10670	3.3
163.14787	1.6
165.16377	8.6
167.10706	1.7
167.14337	4.9
175.14838	52.4
187.13326	1.3
193.15897	100.0
201.05356	1.9
211.13684	5.9
211.16946	55.2
229.18039	4.4
246.11270	10.0
306.56177	1.0
339.51407	1.1
408.17621	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13185	0.6
53.03923	0.5
53.50323	0.6
69.03416	1.9
70.00671	1.7
70.06598	19.8
72.08166	0.8
74.75646	0.4
79.36646	0.6
85.02905	4.4
86.06052	1.7
87.04473	3.2
92.87929	0.5
97.02890	1.2
97.06506	0.8
98.06081	0.6
98.97589	1.3
100.07610	0.9
104.07110	5.0
104.83631	0.5
105.07008	0.6
106.04182	0.7
107.04951	1.0
109.02916	0.7
114.05470	0.7
116.07101	37.1
121.06461	0.8
123.04430	2.5
124.05222	0.8
127.03943	0.9
137.05951	0.8
147.04356	0.5
149.06018	0.6
152.04753	0.6
158.11723	1.0
159.47229	0.5
167.07051	100.0
168.07489	0.6
181.04985	1.1
181.08540	0.7
182.82797	0.4
193.08643	4.1
195.03033	0.5
211.09676	18.8
227.06192	0.5
229.10777	3.3
290.75873	0.5
300.58966	0.5
408.18369	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01867	0.8
58.60410	0.6
61.02911	0.8
64.05680	0.6
69.03408	1.8
70.06585	1.5
79.05483	1.5
80.25865	0.6
81.03407	1.7
81.07039	1.1
84.08134	1.2
85.02904	6.0
86.09715	1.4
88.58805	0.6
91.05460	1.2
97.02884	2.1
98.97633	0.7
100.07640	0.7
105.07037	1.1
106.04149	0.8
107.04965	1.3
109.02867	0.6
112.27570	0.6
114.05602	0.6
120.08106	1.3
121.06509	2.1
123.04417	2.1
123.07996	0.8
125.06001	1.1
127.03892	1.9
133.06447	0.6
142.03156	0.9
142.06500	3.2
142.12997	0.6
145.04926	0.7
147.08041	0.7
149.06023	2.1
159.51221	0.6
160.04291	1.0
160.07573	3.4
161.06009	1.2
163.03885	0.7
167.07050	100.0
177.05585	0.7
181.08615	2.6
193.08617	5.0
210.02028	0.6
211.09677	18.6
229.10735	13.3
239.09294	0.7
282.13614	0.8
366.51096	0.7
408.12781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29559	0.5
70.07869	1.8
81.54962	0.5
82.99882	0.5
98.21366	0.7
98.97594	3.5
101.00887	3.0
115.10951	0.6
116.98620	1.4
118.78870	0.4
119.01964	4.1
134.99727	0.5
158.99924	2.2
167.55267	0.5
177.00969	12.6
182.99872	1.1
201.00943	3.2
217.04086	4.1
218.46768	0.5
219.02031	23.7
220.02122	0.7
225.00864	2.5
243.02019	13.5
244.02351	0.9
256.96469	1.2
258.99908	1.3
260.00137	0.6
261.03085	100.0
262.03198	2.7
263.03122	1.0
274.97415	2.4
277.01001	1.0
279.97501	0.5
283.00015	1.6
284.00064	1.0
284.04645	1.9
292.98758	0.9
301.01083	0.9
302.01288	1.8
303.00662	0.6
367.02072	3.1
385.03168	22.5
385.10742	0.9
386.03687	1.1
403.04276	18.2
404.04440	0.9
408.05127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26032	0.8
53.03965	0.7
55.05510	4.6
56.32493	0.8
57.03433	5.0
57.06876	0.7
57.07075	7.9
67.05507	9.1
69.07061	8.7
69.30607	6.9
70.85780	0.8
71.08631	5.6
72.08151	2.4
79.05479	4.2
81.07059	20.0
83.08614	4.7
85.10178	2.7
91.05467	2.8
93.07047	7.9
95.08614	24.1
97.10177	1.8
97.14970	0.8
105.07030	7.3
107.08601	15.4
109.10162	19.5
111.11698	1.0
113.00021	91.1
117.07024	1.6
119.08578	9.4
121.10148	11.9
123.11693	8.8
131.08540	3.7
133.10135	9.2
135.11687	8.1
137.13286	6.1
139.01492	0.8
143.08498	1.6
145.10135	5.8
147.11699	9.9
149.13257	8.8
157.10132	1.9
159.11708	6.9
161.13249	7.9
163.14847	3.8
165.16469	1.0
169.02617	100.0
171.11667	2.7
173.13396	4.6
175.14825	5.1
177.16396	3.3
185.13246	1.8
186.24838	0.9
187.14838	4.4
189.16386	6.3
191.17982	3.7
197.13298	0.9
199.14806	3.1
201.16383	4.0
203.17979	5.2
205.19511	2.1
213.16339	2.3
215.17979	3.5
217.19572	5.2
227.17982	1.8
229.19548	2.4
239.17905	0.9
241.19478	1.3
243.21133	4.3
245.22585	1.2
255.21092	3.6
257.22647	4.4
259.24234	1.4
269.22632	4.1
271.24246	2.3
283.24249	2.9
297.25647	1.6
311.27371	1.3
322.75235	0.9
323.27411	1.3
325.28781	1.1
337.29034	2.1
349.28787	1.2
351.30453	2.5
364.31140	0.9
407.36737	57.9
420.63345	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3672
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03953	0.9
55.05510	6.9
57.07070	5.0
65.03951	1.3
67.05504	12.8
69.07066	14.9
70.60589	1.6
70.60963	1.7
71.08619	2.0
79.05495	5.5
79.27570	0.7
81.06585	1.5
81.07056	27.2
83.08614	6.9
85.10181	1.0
91.05480	5.5
93.07048	11.5
95.08606	36.5
97.10153	4.0
105.07029	13.2
107.08603	22.2
109.10158	30.6
111.11758	1.6
112.99249	0.6
113.00017	14.7
117.07063	1.0
119.08585	16.1
121.10139	18.1
123.11710	15.4
129.06906	0.8
131.08563	5.0
133.10133	12.8
135.11699	13.5
137.13263	11.6
143.08537	2.3
144.50858	0.7
145.10129	8.3
147.11682	13.6
149.13257	12.6
151.14841	2.2
157.10121	4.0
158.10912	1.2
159.11693	11.3
161.13263	11.7
163.14815	7.3
169.02615	17.5
169.10152	0.7
171.11664	3.9
173.13266	7.6
175.14816	8.4
177.16391	3.6
179.17946	0.8
183.11697	1.4
185.13319	3.6
187.14828	7.2
189.16385	10.0
190.36026	0.8
191.17934	5.7
197.13203	1.1
199.14786	4.2
201.16345	6.2
203.17996	8.7
205.10303	0.9
205.19556	3.3
213.16461	4.9
215.17952	7.5
217.19518	9.7
219.21127	1.0
225.16434	1.0
226.17043	1.0
227.17946	3.1
227.22466	0.7
229.19547	4.5
231.21138	2.7
239.17744	0.7
241.19449	2.9
243.21111	7.3
245.22719	2.3
255.21056	4.5
257.22629	10.2
269.22647	8.2
271.24219	3.6
281.22562	1.4
283.24332	4.4
285.25723	1.2
295.24445	1.3
297.25812	3.1
297.33875	0.8
309.25797	1.8
311.27368	2.3
319.10544	0.9
323.27441	2.7
325.28900	1.7
337.28857	2.9
349.28833	1.1
351.18372	0.8
351.30453	3.4
361.92532	0.9
365.32010	1.8
407.36722	100.0
408.36960	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	407.3522
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
55.05512	9.7
57.07077	17.8
59.03886	1.9
60.09405	1.8
67.05508	15.2
69.03429	14.7
69.06760	1.9
69.07071	17.1
69.88243	9.3
71.08646	13.0
79.05479	8.4
81.07061	31.4
83.08618	8.5
85.10165	5.6
89.06020	3.8
91.05473	2.0
93.07056	12.2
95.04963	3.8
95.08611	24.6
97.06547	2.4
97.10158	6.8
98.20757	2.5
105.07015	8.0
107.08596	10.6
109.06515	5.0
109.10152	17.9
111.11675	2.4
113.90737	1.9
119.08586	10.7
121.10118	8.3
123.04436	18.7
123.08082	4.7
123.11697	5.7
125.05975	6.7
131.08588	2.2
133.06648	2.1
133.08589	3.0
133.10118	10.0
135.11664	7.3
137.05952	5.3
137.09569	5.5
137.13254	6.0
139.07527	2.4
141.05487	5.5
143.08560	3.0
145.10135	2.9
147.08049	3.0
147.11676	8.1
149.13205	5.1
151.07620	4.8
151.11176	5.2
159.11676	3.7
161.13191	2.9
165.09113	4.2
165.12723	4.2
167.10675	2.2
169.02650	2.1
171.11572	2.3
173.13200	2.8
175.14871	3.5
177.16328	2.6
179.10741	3.9
181.12207	2.3
189.16309	2.5
191.17827	2.3
193.12227	3.4
203.17924	3.1
217.19490	2.1
283.23999	2.4
283.74243	2.1
297.32474	2.1
343.33383	2.5
351.09634	2.1
361.34567	4.0
389.34216	37.2
407.35281	100.0
408.35696	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	407.352
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
55.05510	4.2
57.07085	8.3
60.89806	1.6
65.03932	3.9
67.05508	22.6
69.07077	8.7
69.55510	11.1
71.08629	7.7
76.79645	1.5
81.07063	4.3
83.08620	4.6
85.10168	3.8
86.53780	1.5
88.95995	1.5
89.06041	2.4
93.07034	2.7
95.04978	10.5
95.08592	5.3
97.10177	4.1
99.04470	8.6
107.08603	3.6
109.10149	3.4
111.11705	2.2
113.05983	4.0
119.08572	3.0
123.04438	16.5
123.08051	2.2
125.05996	8.3
133.10159	2.2
137.09605	2.0
139.07552	3.2
141.05470	100.0
150.06412	1.6
172.75000	1.5
276.87350	2.2
347.33206	3.3
365.34088	2.0
389.34021	11.8
407.35202	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	407.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.9
55.05511	47.3
57.07077	71.0
67.05507	24.1
69.07072	85.3
70.67075	7.7
70.67424	10.0
71.08626	37.7
73.29844	4.7
74.71044	5.1
79.05486	25.8
79.59119	4.5
81.07049	68.6
83.08614	52.9
85.10168	16.7
89.06033	15.5
91.05473	12.4
93.07035	30.3
95.08612	75.5
97.06535	10.8
97.10186	30.7
97.10690	4.8
99.04465	12.3
105.07032	26.2
107.08577	40.9
109.06509	22.5
109.10162	45.4
111.04463	24.2
111.08068	11.3
111.11723	26.7
111.13244	4.5
119.08549	19.4
121.06427	6.8
121.10144	47.6
123.04428	7.8
123.08041	20.1
123.11711	23.7
125.05993	68.3
125.13272	7.0
133.08540	7.2
133.10100	20.7
135.08102	8.8
135.11673	18.3
137.05994	100.0
137.09602	18.6
137.13272	11.4
139.07512	14.5
141.05446	15.1
147.11682	9.6
149.09544	5.1
149.13190	12.7
151.07512	23.3
151.11189	9.9
161.09650	9.4
161.13240	13.0
163.11191	9.5
163.14810	6.4
165.09103	34.7
165.12758	11.7
167.10669	14.0
175.11119	9.2
175.14737	5.8
177.16405	8.9
177.81316	5.2
179.10703	30.2
181.12186	20.5
183.10066	6.5
191.17992	7.8
193.12209	31.1
195.13867	7.1
197.11699	15.2
203.18022	6.7
207.13762	27.3
211.13196	6.8
221.15337	18.8
221.74875	5.1
225.14810	8.2
235.16899	19.1
237.18494	10.1
237.44861	5.9
239.16458	10.0
249.18484	25.2
251.20093	8.7
253.17897	14.6
263.19977	22.5
267.19495	16.1
277.21664	34.2
281.21021	21.2
291.23169	19.2
295.22699	11.4
305.24744	20.3
319.26306	15.3
333.27798	16.8
347.29065	6.7
351.28989	9.8
371.33255	6.7
389.34177	67.1
407.35306	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2218
Annotation	CHEMBL1821989
Peak:m/z	Relative Intensity
53.03937	2.8
55.01884	12.5
55.05492	6.2
65.03941	1.8
67.05523	10.5
69.03425	4.5
69.07060	5.7
69.18159	17.3
70.67629	2.4
79.05488	17.0
79.79736	2.1
81.03421	14.3
81.07060	12.1
83.04965	3.1
83.46594	2.0
85.02922	4.2
91.04967	2.7
91.05489	28.0
93.07055	12.8
95.01257	2.1
95.04977	20.8
95.08622	12.9
95.43772	1.9
97.06521	4.0
103.05450	5.2
105.07030	23.7
107.04944	8.3
107.08614	10.0
109.06518	8.9
115.05453	7.4
116.06250	3.2
117.07028	15.7
119.05001	2.3
119.08586	56.4
121.06505	8.4
121.10130	5.9
123.08038	4.2
128.06219	8.3
129.07016	21.7
131.04959	2.5
131.08583	18.6
133.06480	6.2
133.10126	12.4
135.08026	6.8
135.11697	3.0
141.06950	6.4
142.07782	7.6
143.08580	14.6
145.06479	13.5
145.10152	19.4
147.08052	72.5
147.11726	3.3
149.09631	27.6
153.06958	2.4
155.08551	10.1
156.09337	5.6
157.06474	3.3
157.10138	32.5
158.07294	2.2
159.08069	18.7
159.11710	17.0
159.67853	1.9
161.09596	18.2
163.07544	5.1
163.11215	2.3
165.07057	3.4
167.08568	6.2
168.09349	3.6
169.10129	23.4
170.10872	2.4
171.08028	5.1
171.11713	25.5
173.09642	16.5
173.13252	8.7
175.07574	4.7
175.11185	2.6
179.08528	5.1
180.09303	3.1
181.10126	5.0
182.10843	4.4
183.08044	3.0
183.11708	26.4
185.09587	18.6
185.13235	6.1
187.11176	13.3
189.09010	4.5
191.10721	2.7
193.10135	10.0
193.12082	2.1
194.10831	3.9
195.08037	4.7
195.11676	8.2
197.09624	6.9
197.13272	11.9
199.11148	7.1
201.09067	2.5
201.12703	6.4
205.10201	4.4
206.11000	4.8
207.07953	2.6
207.11681	12.8
208.12488	3.4
209.09679	4.3
209.13246	10.8
210.10426	2.5
211.11189	6.3
211.14790	5.9
213.12794	4.3
215.10654	2.5
217.09990	2.9
218.10924	2.6
219.11743	5.1
220.12357	4.7
221.09605	3.9
221.13353	9.2
223.11212	9.7
223.14793	5.1
225.12753	11.3
227.14323	2.4
229.10159	2.5
229.12244	4.6
230.11072	2.7
231.11717	4.4
231.13803	2.7
233.13316	3.0
233.15454	2.3
235.11188	9.0
235.14824	5.3
237.12718	9.3
237.16327	4.1
239.14288	7.2
241.12160	2.4
243.13873	3.9
244.12531	3.1
245.09521	2.7
245.13316	3.7
247.11179	4.3
247.14897	5.2
249.12788	5.0
251.14334	5.5
257.09555	2.6
257.13281	4.2
259.11099	2.5
260.11850	4.6
261.12585	3.9
262.13602	2.7
263.14383	5.3
265.15912	4.6
269.13171	2.2
271.14893	2.7
273.12625	3.2
275.14310	3.2
277.15833	4.2
279.13940	2.3
285.12708	5.6
287.14328	4.6
287.17639	2.5
289.15872	4.0
297.16376	3.0
299.14261	3.6
300.15067	2.5
301.15796	5.4
305.15479	2.2
305.19012	8.1
315.17465	12.8
316.17911	2.6
329.15421	3.5
329.18918	12.3
333.18402	20.6
335.20053	5.0
343.20715	15.1
345.18472	16.5
347.17264	1.8
347.20178	16.7
353.19131	2.8
357.18503	7.4
361.21582	7.7
363.19760	2.1
371.19836	2.7
371.25989	3.2
375.19601	28.3
379.22791	3.7
389.21063	26.9
389.26831	7.1
407.22110	100.0
407.33493	4.2
408.22635	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2217
Annotation	Flurogestone acetate
Peak:m/z	Relative Intensity
53.03943	3.5
55.01876	12.0
55.05499	3.0
59.60813	0.9
65.03934	1.1
67.05497	4.3
69.03430	3.6
69.07079	1.7
77.03903	1.5
79.05495	16.4
81.03426	16.1
81.07059	8.1
83.04999	2.3
85.06531	1.2
85.84267	0.9
91.04967	1.7
91.05486	23.9
93.07051	8.8
95.01296	2.0
95.04973	13.5
95.08083	1.2
95.08600	7.5
97.06519	3.0
103.05460	3.7
105.07036	14.8
107.04964	13.5
107.08596	6.0
109.06527	5.8
111.08083	1.2
115.05454	5.5
116.06223	1.2
117.07028	11.5
119.04980	2.0
119.08591	44.2
121.06527	5.8
121.10152	4.1
123.08086	1.5
128.06226	5.4
129.07024	16.4
130.07825	1.3
131.04887	2.1
131.08574	11.8
132.05707	1.2
133.06525	4.9
133.10114	11.1
135.08052	4.8
141.06985	3.0
142.07793	4.3
143.08569	10.8
145.06494	11.5
145.10124	10.1
147.08049	51.8
147.11694	1.8
149.09630	53.8
153.07063	1.7
154.07767	1.2
155.08569	5.4
156.09381	7.2
157.06529	1.8
157.10130	29.2
158.07253	1.9
158.10931	1.3
159.08072	20.7
159.11699	16.6
160.08733	1.0
161.05997	1.3
161.09636	26.2
163.07556	4.2
163.11165	1.5
165.06998	2.4
166.07787	1.3
167.08447	1.7
168.09331	1.1
169.10133	11.2
170.10942	1.5
171.08058	4.9
171.11693	19.4
173.09650	14.2
173.13228	8.1
175.07587	9.2
175.11252	2.5
177.09071	1.7
179.08571	3.3
181.06552	0.9
181.10095	5.8
182.07332	1.1
182.10915	2.7
183.08269	2.0
183.11703	20.8
185.09618	7.6
185.13260	4.3
187.07564	2.4
187.11191	8.1
189.09128	1.8
191.10695	4.6
192.09383	1.6
193.10164	4.6
193.12088	1.4
194.10953	1.8
195.08009	1.1
195.11671	5.9
196.12332	2.0
197.09630	6.4
197.11563	1.2
197.13275	7.7
199.11302	5.3
199.14780	1.1
201.09035	1.6
201.12804	5.9
203.10632	1.3
203.14258	1.0
205.10190	1.2
206.10890	3.1
207.08064	1.3
207.11761	7.0
208.12465	2.4
209.09595	4.2
209.13280	6.9
210.10384	2.7
211.11145	6.6
211.14842	3.9
213.12773	2.5
215.10684	2.9
217.10237	1.7
217.12236	3.4
218.10732	1.2
219.11771	2.4
220.12399	1.6
221.09738	1.5
221.13313	7.6
222.10440	1.2
222.14091	1.1
223.11223	7.1
223.14807	4.2
224.11995	2.6
225.12740	12.4
226.13516	1.3
227.10675	3.3
227.14401	1.8
229.12207	7.5
230.10918	2.4
231.11867	1.8
231.13852	4.5
232.12448	2.2
233.13248	3.4
233.15421	4.9
235.11156	3.9
235.14841	4.4
236.11877	2.1
237.12779	6.6
237.16431	3.1
239.14297	5.5
241.12260	1.7
243.13797	3.5
244.12363	1.2
245.09557	1.5
245.11729	3.4
246.14079	2.3
247.11153	2.6
247.14983	4.6
248.12079	2.0
249.12813	4.5
249.16374	1.2
250.13635	1.8
251.10394	1.0
251.14302	6.7
252.15067	1.1
253.12341	1.2
253.15787	1.2
257.13211	3.5
259.11072	2.0
261.12671	2.7
261.14981	1.6
263.10614	1.2
263.14310	4.4
265.12262	1.8
265.15851	4.2
266.16678	1.1
271.11267	1.5
271.14841	1.2
273.12665	1.8
273.16443	1.7
274.13620	2.0
275.14328	3.3
276.14917	1.2
277.12204	1.1
277.15839	3.2
279.13751	1.7
281.15613	1.2
285.12466	2.1
285.15256	1.2
286.13434	2.0
287.14346	2.3
287.18137	1.5
289.15836	3.4
291.14044	1.8
291.17505	2.8
293.15482	1.8
294.32803	1.1
299.17001	1.1
300.14972	2.0
301.15887	1.8
303.17477	2.5
305.15698	2.0
305.19006	5.6
311.16382	2.3
314.16553	2.1
315.17401	11.7
316.18143	2.2
317.15344	2.3
319.16861	2.2
319.20538	3.7
329.18964	10.9
333.18454	28.6
333.22430	1.7
339.49835	1.2
347.20074	17.6
357.18509	4.3
359.81149	1.2
361.21515	1.8
363.19278	1.6
375.19534	29.0
379.22482	5.4
389.20996	15.2
407.22168	100.0
408.22549	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2217
Annotation	Monachosorin B
Peak:m/z	Relative Intensity
53.03937	1.5
55.01870	3.5
55.05498	1.4
57.07057	0.5
64.24636	0.4
67.05508	3.9
69.03432	3.1
69.07076	2.7
71.04985	0.8
71.56004	0.7
79.05491	4.4
79.93626	0.4
81.03422	4.7
81.07045	4.3
83.04979	1.5
83.08560	0.5
90.11436	0.4
91.05473	9.6
93.07042	6.4
94.69828	0.4
95.01336	0.5
95.04980	5.7
95.08612	2.9
97.06532	1.7
103.05448	1.7
105.07028	7.3
107.04954	2.0
107.08597	4.6
109.06524	4.1
109.10154	2.7
111.04448	0.5
115.05457	2.4
117.06987	4.9
119.04967	0.7
119.07787	0.9
119.08580	11.1
121.06503	3.7
121.10127	2.9
123.08052	1.8
128.06227	3.3
129.06126	0.8
129.06998	6.2
130.07814	0.6
131.04915	2.1
131.08562	7.5
133.06477	1.9
133.10130	7.2
135.08017	4.3
135.11679	0.9
137.05930	0.6
137.09602	1.3
141.06982	1.7
142.07813	2.9
143.08546	7.4
144.05630	0.5
144.09320	0.6
145.06519	3.7
145.10121	6.3
146.07277	0.8
147.08049	16.5
147.11684	1.2
149.09627	2.5
151.11143	0.8
153.06993	1.4
154.07750	0.6
155.06123	0.4
155.08551	3.3
156.09384	2.6
157.06471	1.3
157.10135	5.3
158.07307	1.0
158.10876	0.6
159.08052	6.6
159.11679	3.3
161.06012	0.6
161.09622	11.0
163.07492	2.1
163.11218	2.4
165.07030	1.5
165.09085	0.9
166.07831	1.0
167.08553	2.2
168.09360	1.2
169.06473	0.7
169.10121	3.4
170.10915	1.9
171.08057	5.3
171.11681	5.2
173.05994	1.9
173.09613	6.8
173.13239	2.7
174.10339	0.8
175.07556	2.0
175.11211	1.3
175.14830	0.5
177.09248	0.8
177.12752	1.1
178.07755	0.6
179.08548	1.9
179.10663	3.9
180.09344	1.7
181.10168	2.2
182.07269	0.8
182.10905	1.3
183.08075	2.7
183.11668	3.9
184.08826	1.3
185.09578	4.1
185.13208	1.8
186.10406	0.7
187.07545	2.0
187.11206	3.5
187.14844	1.6
189.09074	2.1
189.12744	2.5
191.08556	0.5
192.09363	1.0
193.10159	1.9
193.12210	0.6
194.10905	0.6
195.08116	1.2
195.11688	3.0
196.08839	1.8
197.09651	3.1
197.11678	0.4
197.13208	3.1
198.10454	1.4
199.11174	10.5
199.14966	0.6
200.11922	1.9
201.09065	1.2
201.12726	2.1
203.10706	1.1
203.14384	0.6
205.10211	0.9
206.10904	0.6
207.11678	2.5
208.08838	1.1
208.12485	0.7
209.09578	2.7
209.13303	1.8
210.10413	1.5
211.11179	6.7
211.14801	0.7
213.09140	1.3
213.12726	15.4
215.10663	1.9
215.14285	2.6
216.09409	0.5
217.10312	0.8
217.12285	1.2
218.10818	0.7
219.11673	1.1
220.08817	0.6
220.12532	0.7
221.09656	1.1
221.13261	2.0
222.10258	0.5
223.02858	0.4
223.11186	4.8
223.14830	1.3
224.12033	0.9
225.09026	1.0
225.12753	2.7
226.09874	0.6
227.10686	2.4
227.14330	1.2
229.10318	0.5
229.12230	2.3
230.10907	0.5
231.11835	0.8
231.13895	1.6
232.12419	0.6
233.09682	1.0
233.13409	0.9
233.15388	0.8
234.10489	0.7
235.11285	1.2
235.14803	1.3
236.11868	0.9
237.12695	2.6
237.16479	0.8
239.10745	2.1
239.14355	1.4
241.10034	0.7
241.12210	1.2
243.11658	0.9
243.13843	2.4
244.12433	0.8
245.09560	0.6
245.13231	1.2
246.14055	0.7
247.11145	1.3
247.15114	0.7
248.11903	1.1
249.12764	1.7
249.16434	1.0
250.13446	0.6
251.10648	0.7
251.14369	1.3
253.12331	1.0
253.15794	1.1
255.11693	0.5
256.12491	0.6
257.13281	1.2
258.10370	0.6
258.13745	0.5
259.11188	1.6
259.14923	0.5
260.12021	1.3
261.12720	1.8
263.10773	1.1
263.14285	2.7
265.12198	0.9
265.15936	0.9
267.13861	0.6
267.17606	0.7
269.13141	0.9
271.11273	0.6
273.12698	1.2
274.13565	0.6
275.14255	0.9
275.17615	0.5
277.12473	0.6
277.15836	1.7
279.13824	0.9
279.17566	0.5
281.15335	1.3
283.11060	0.5
285.12775	1.0
287.14301	1.9
288.15137	0.8
289.15866	1.3
291.17328	0.9
293.15497	1.0
297.12741	1.1
298.13559	1.3
299.14368	1.4
299.17734	0.6
300.15112	0.6
301.12320	0.8
301.15845	1.2
303.13901	0.9
303.17377	1.0
305.15378	0.8
307.16699	0.7
313.15863	4.2
314.16669	0.5
315.13779	0.6
315.17313	0.9
317.15677	0.5
317.19135	1.2
319.16879	0.7
321.18576	0.8
323.14331	1.0
327.17444	1.5
328.18253	1.3
329.15414	0.6
329.18967	1.7
331.16846	1.0
338.16611	0.7
339.19553	0.5
341.15338	1.2
342.16144	0.6
343.16785	0.6
343.20627	2.0
345.18500	2.8
347.16309	0.5
347.20078	1.5
353.18842	1.2
356.17841	1.3
359.16138	0.6
359.20026	1.1
361.21667	3.4
363.19385	3.3
371.20065	9.1
371.24426	0.8
374.19150	0.5
377.21381	0.6
379.22607	1.2
389.21106	33.9
390.21338	0.9
392.19705	0.6
407.22168	100.0
408.22635	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	407.2216
Annotation	Monachosorin B
Peak:m/z	Relative Intensity
53.03931	0.8
55.01876	4.0
55.05502	1.3
56.96563	0.8
65.03927	0.9
67.05508	3.8
69.03429	2.8
69.07087	2.3
69.56351	3.4
71.04993	0.7
77.03967	0.5
79.05495	5.1
81.03419	5.5
81.07060	4.8
83.04969	1.0
83.08629	0.8
85.02914	1.6
89.50835	0.5
91.05485	8.5
93.07043	5.4
95.01337	0.6
95.04975	9.1
95.08614	3.7
97.06512	2.1
103.05452	1.3
104.35876	0.5
105.07040	9.1
107.04965	3.1
107.08601	4.8
109.06519	4.3
109.10167	1.7
115.05453	1.8
117.07027	5.0
119.04964	0.9
119.08595	12.2
121.06539	4.0
121.10171	3.1
123.08100	1.2
128.06241	2.7
129.06996	4.9
131.04921	2.3
131.08572	7.4
133.06491	2.5
133.10129	5.2
135.08066	4.2
135.11729	0.5
136.99036	0.4
137.05963	0.8
137.09630	0.7
141.07002	2.2
142.07791	3.5
143.08575	6.5
144.09406	0.7
145.06514	4.4
145.10126	7.4
146.07248	0.9
147.08057	16.7
147.11722	1.3
149.02330	0.5
149.09648	2.8
153.07018	1.1
154.07761	0.6
155.08554	3.6
156.09375	3.8
157.06509	1.4
157.10155	7.5
158.07224	0.8
158.10933	0.5
159.08067	5.8
159.11688	3.8
161.09625	9.5
161.13240	0.7
162.03249	0.6
163.07567	2.1
163.11218	1.7
165.07033	1.9
165.09094	1.0
166.07791	0.8
167.08594	1.7
168.09384	1.1
169.06522	1.1
169.10149	4.6
170.07231	0.7
170.10883	2.2
171.08075	4.1
171.11690	6.4
172.08788	0.6
173.06026	2.4
173.09642	7.8
173.13210	2.3
175.07556	1.7
175.11208	1.9
178.07866	0.6
179.08557	2.3
179.10744	1.7
180.09366	1.7
181.06456	0.9
181.10149	2.8
182.07220	0.8
182.10922	0.9
183.08055	2.1
183.11714	4.8
184.04573	0.6
184.08850	1.5
185.09648	5.7
185.13257	3.6
186.10429	0.6
187.07529	1.2
187.11205	3.5
187.14851	1.5
189.09128	2.1
189.12772	2.4
192.09335	0.9
193.10071	2.7
193.12450	0.5
194.10945	0.7
195.08096	1.1
195.11693	4.0
196.08931	1.1
196.12444	0.7
197.09679	3.2
197.11372	0.5
197.13297	2.9
198.10403	1.7
199.11191	18.2
199.14948	0.7
200.11903	1.5
201.09120	1.3
201.12778	2.3
203.08499	0.7
203.10666	0.8
203.14433	0.6
205.10173	1.3
206.05600	0.6
206.10918	1.2
207.08092	0.7
207.11688	3.0
208.08943	0.9
208.12387	1.0
209.09662	2.1
209.13281	2.6
210.10382	1.2
211.11250	4.5
211.14850	1.9
213.09216	0.9
213.12756	16.2
215.08749	0.6
215.10715	2.1
215.14227	2.4
216.09396	1.1
217.10284	1.0
217.12280	1.1
218.10912	0.8
219.11696	1.8
220.12569	0.8
221.09676	1.2
221.13332	3.0
222.10373	1.1
222.13933	0.6
223.11203	4.4
223.14815	1.4
224.12000	1.0
225.09351	0.8
225.12740	3.1
227.10617	2.8
227.14279	1.1
229.12222	1.3
230.10941	1.3
231.11690	2.0
231.13882	1.6
232.08664	0.6
232.12535	0.9
233.09720	0.9
233.13258	1.6
233.15393	1.2
234.14125	0.7
235.11139	1.8
235.14934	2.1
236.11945	1.1
237.12813	3.7
237.16362	1.0
238.13434	0.6
239.10765	1.4
239.14384	1.8
241.10158	0.7
241.12303	1.4
242.08784	1.0
243.11740	1.4
243.13881	1.2
244.12448	1.3
245.09613	0.7
245.13290	2.0
246.10313	0.7
246.14139	1.2
247.11203	1.3
247.14896	1.7
248.12047	1.0
249.09448	0.8
249.12773	2.5
249.16386	1.6
251.14342	1.4
253.12271	0.8
253.15823	1.4
255.13872	0.8
256.12387	0.6
257.13382	1.3
258.14026	0.8
259.11151	1.4
259.14850	1.4
260.11917	0.8
260.15634	0.8
261.12793	2.0
261.16321	1.4
262.13669	1.1
263.11920	0.6
263.14386	3.5
263.18167	0.6
264.15079	0.6
265.12436	1.3
265.15805	1.0
267.13846	1.0
270.14087	0.8
271.11209	1.2
271.14771	1.2
272.11948	0.7
273.12729	1.7
274.13498	0.8
275.14340	2.4
275.17966	1.7
276.15152	0.8
277.15823	2.4
278.16400	0.5
281.15460	0.9
281.26218	0.5
283.10989	1.0
284.12036	0.8
284.15515	0.5
285.12540	0.8
287.11206	0.6
287.14417	2.1
288.14890	0.6
289.15857	1.9
291.13791	0.7
291.17450	0.6
293.15387	1.4
293.18646	0.7
295.17245	0.7
297.12823	0.7
299.14288	1.6
300.14789	0.6
301.15872	1.9
303.14282	0.7
303.17517	2.2
305.15335	1.3
305.18814	1.1
307.16876	1.0
311.14236	0.9
313.15613	2.5
314.16797	1.2
315.13995	1.1
315.17493	1.8
317.15717	0.8
317.19116	1.8
319.17056	0.8
321.18561	0.9
327.17343	2.3
328.14575	0.6
328.18164	1.2
329.15469	1.0
329.19003	1.6
330.16107	1.0
331.16977	1.0
333.18454	1.5
333.22122	0.8
335.20126	1.7
338.16510	0.6
341.15341	1.1
341.18961	0.8
343.20657	5.9
345.18472	6.9
347.16235	0.6
347.20035	2.0
353.18964	1.2
356.17746	1.2
359.20297	0.8
361.17709	0.6
361.21643	6.2
363.19516	3.5
371.20068	7.6
374.18909	0.8
377.21008	0.7
379.18463	0.5
379.22882	0.9
389.21152	28.1
390.21356	0.8
407.22202	100.0
408.22598	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	407.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57330	1.2
53.03950	5.5
55.01863	3.1
55.05515	31.7
57.03438	6.0
59.05006	6.9
61.02929	2.1
66.00499	1.1
67.05495	2.8
69.03433	23.3
69.07063	1.6
69.64832	2.5
69.65250	5.1
70.06585	2.1
71.01330	1.3
71.04991	8.6
72.08150	1.7
73.02927	1.3
76.02232	4.0
79.05492	2.8
81.03423	32.1
81.07043	3.6
83.04986	2.9
83.08142	2.4
83.08623	37.9
84.04511	1.6
84.08118	1.2
85.02912	56.7
85.06545	1.6
86.09673	2.5
91.05466	3.0
93.07040	3.3
95.04986	3.3
95.08598	5.2
97.02895	29.5
97.06537	3.0
98.20745	1.8
99.03838	2.4
99.04461	37.2
99.08094	4.8
101.09677	9.5
103.03954	32.7
107.08556	2.5
109.02886	27.6
111.04381	2.5
113.06001	3.0
119.08581	2.4
120.08107	1.4
120.42793	1.3
121.10117	2.3
123.08044	2.4
123.11855	1.1
125.09628	1.3
126.69221	1.1
127.03923	100.0
129.05492	1.6
129.09125	6.1
133.10101	1.3
135.11642	1.6
137.05934	1.5
139.07500	1.4
141.05444	1.4
141.09096	2.9
145.04965	22.2
147.98187	1.2
149.96751	1.3
162.02220	2.5
162.13071	1.1
163.06010	3.9
163.14864	1.7
165.07593	2.0
167.07089	2.1
179.04915	6.4
187.06035	24.9
193.12257	1.9
205.07135	2.5
209.15378	3.7
211.13330	5.8
227.08099	2.2
227.12799	1.3
227.16422	3.9
228.16936	1.1
241.09732	2.0
253.07053	2.5
260.11154	1.5
265.09644	2.8
269.09262	4.0
271.08163	9.0
271.53745	1.3
283.10849	1.3
285.09543	1.8
287.14874	14.7
289.09048	4.6
293.09283	2.9
297.08786	3.2
311.10147	2.5
315.09650	2.1
329.11572	1.3
339.09717	2.3
357.10770	3.2
363.10431	2.8
371.16852	1.7
375.11874	12.4
389.13309	4.0
407.09610	5.5
407.13843	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.5
55.01862	2.0
55.05513	8.6
57.03424	4.5
57.07062	5.1
59.04750	1.4
59.05007	20.5
61.02940	1.4
67.05494	1.9
69.03081	1.6
69.03434	24.8
70.09504	5.4
71.04993	8.3
72.19583	1.3
73.02919	3.1
81.03416	24.1
81.07040	3.5
83.04999	2.7
83.06117	2.9
83.08618	15.0
84.04499	4.5
85.02911	54.8
85.06572	1.4
86.09696	6.9
91.05432	2.0
93.07059	1.6
95.04943	1.3
95.08595	2.0
97.02904	23.5
98.20801	1.2
99.03848	2.2
99.04459	34.8
101.02383	2.8
101.07143	1.5
101.09045	2.2
101.09660	34.8
103.03947	32.8
105.07011	2.0
107.04938	1.4
107.08616	1.9
109.02887	29.8
109.06544	1.6
115.03951	1.2
119.08573	1.4
120.08102	10.2
121.10138	2.0
127.03922	100.0
129.09103	5.4
131.08540	1.1
145.04973	23.5
145.06093	0.9
149.09706	1.2
153.09007	1.3
159.06454	1.5
163.05998	4.4
166.08623	3.9
187.06026	34.1
191.14456	1.3
192.14708	1.4
196.14426	2.4
197.12799	1.8
205.06989	2.7
209.15376	1.8
210.15681	1.6
226.96504	1.3
227.16510	2.5
253.06956	2.5
271.08185	13.8
271.10947	2.0
287.15076	6.5
289.09326	7.0
307.10123	1.4
313.11853	1.4
329.11356	1.6
339.09827	2.3
357.10809	2.7
375.11740	2.3
389.13449	2.5
389.21738	2.1
407.14420	2.6
407.59708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04982	1.0
53.03941	3.4
55.01867	1.5
55.05265	2.2
55.05511	27.5
57.03428	3.0
57.07074	6.4
59.05006	7.5
67.05493	1.3
67.60690	1.2
69.03431	18.2
69.38499	1.0
70.35711	4.0
71.04984	3.9
77.53899	1.0
81.02977	1.6
81.03423	17.6
81.07066	3.0
83.08619	100.0
85.02905	39.8
88.57054	1.1
89.40643	1.1
93.07021	1.6
95.08609	2.7
97.02891	26.4
99.04457	23.6
101.09647	21.1
101.10252	1.4
103.03940	24.3
105.06996	1.3
109.02879	16.1
112.05476	1.4
117.05496	1.5
119.08604	1.6
125.09618	1.6
127.03913	55.3
129.09111	18.3
133.10146	1.6
141.09077	2.3
145.04964	14.3
149.06007	1.2
163.06030	1.8
185.11746	3.7
187.05989	5.8
196.58887	1.2
209.15375	2.7
210.15732	2.7
227.12714	5.8
227.16414	2.4
228.16780	3.6
230.91013	1.1
238.19789	1.0
245.13861	4.3
255.11310	1.4
271.07993	1.8
287.14893	25.7
305.16190	1.6
329.11221	1.3
339.09787	1.8
357.10779	2.5
371.16910	2.1
375.11697	4.8
407.14392	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	407.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01872	8.9
56.96569	4.3
57.03434	9.6
61.02933	29.9
69.03434	30.1
71.04993	3.4
71.54874	2.5
73.02920	14.1
81.03428	9.1
85.02905	100.0
86.03238	4.6
87.04515	4.6
91.03966	5.5
91.05462	3.3
97.02891	29.7
98.97573	11.6
99.04459	7.4
101.00892	12.4
101.02406	3.2
109.02847	6.4
110.97573	4.3
113.00859	6.8
115.02412	4.4
117.03390	2.9
119.01925	24.6
119.04958	4.1
126.03436	3.8
127.03919	39.8
129.03912	3.8
131.01921	17.9
133.03477	8.1
141.03949	2.8
143.01880	21.1
144.03459	3.3
145.03659	4.8
145.04945	37.3
147.04413	14.1
148.84563	2.6
154.02879	4.2
155.01851	12.1
157.03496	4.4
161.02924	14.5
166.02916	4.9
168.99832	8.2
171.01408	3.9
173.01283	3.9
173.02998	16.9
175.03429	3.4
177.05545	7.4
183.05049	4.8
185.02940	8.3
186.99370	3.0
187.00925	11.3
187.04556	4.2
189.02531	6.5
196.03996	24.8
196.54086	5.0
196.99316	11.7
203.04033	7.0
205.04535	47.4
205.54634	10.6
211.08115	2.7
214.05031	22.0
214.55188	2.7
215.00385	22.5
217.01968	3.5
219.01683	4.9
219.03609	4.2
221.05035	5.3
229.01909	14.6
231.03560	7.3
237.02759	3.9
245.05098	10.5
247.02988	22.0
247.05168	3.4
248.03181	4.0
256.06064	7.0
259.02979	6.2
269.05231	3.4
271.02899	4.3
275.02420	4.0
277.06580	7.8
277.56683	3.8
286.07141	45.2
286.57306	7.6
287.06146	9.6
289.03912	12.9
290.04361	3.1
299.02640	4.1
299.06122	4.1
301.04132	3.8
301.11188	3.6
307.04980	7.8
315.01807	3.1
319.05017	6.8
323.03091	2.4
331.04788	4.3
347.08389	6.3
349.06128	37.6
350.06287	7.9
365.09283	3.5
389.09555	3.4
393.46899	2.9
407.10522	2.8
421.53571	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	406.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.05510	2.6
58.06601	0.6
65.03932	0.6
67.04248	5.9
67.05511	5.0
67.42657	0.3
68.05055	0.4
69.03435	3.8
69.07072	2.0
69.28667	1.1
69.29091	2.1
71.04993	0.7
79.05497	4.6
80.05013	1.8
81.07063	4.8
81.98004	0.3
82.06583	100.0
83.06915	0.7
83.07359	0.7
83.08584	0.5
83.54176	0.4
84.08118	0.3
87.04482	0.4
88.03996	9.1
91.05499	2.1
93.07054	4.9
95.08608	3.9
100.07619	22.7
105.07041	1.6
107.08573	2.1
109.10187	1.4
116.96091	0.3
117.07035	0.5
118.08693	1.1
119.08579	1.0
121.10165	2.2
121.97314	0.3
124.69427	0.3
126.05520	1.3
128.07083	42.1
131.08580	1.0
133.10118	0.7
135.11722	0.9
143.08546	0.5
144.06580	0.8
145.10161	0.6
146.08128	21.2
149.13164	0.4
159.11690	0.4
171.11670	0.5
172.12003	0.4
211.14769	0.5
235.21495	0.3
294.23108	0.4
314.50473	0.3
323.22861	0.4
406.29477	77.2
407.29813	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
55.05505	3.9
55.07014	2.0
57.03440	3.5
59.05001	1.9
60.77056	1.8
61.02919	2.0
67.05507	3.0
69.03423	7.1
69.07063	3.3
70.06602	2.3
71.04979	4.5
71.19983	3.5
79.05497	4.2
81.07057	13.1
83.04983	2.1
83.08620	2.0
85.02906	17.5
85.06522	4.4
90.77753	2.0
91.05480	4.4
93.07044	9.5
95.04982	20.8
95.08630	10.9
97.02898	5.2
97.06519	14.8
99.04475	3.0
99.08120	4.6
104.57112	1.9
105.07037	16.8
107.08630	14.1
109.06525	30.8
109.10162	9.8
111.08044	2.1
113.09679	1.9
115.07563	5.2
119.08584	10.8
121.10146	18.0
123.08145	3.4
123.11720	7.6
125.09645	2.9
127.03946	3.5
127.07596	2.6
131.08569	13.0
133.10141	56.9
135.08029	6.9
135.11687	4.6
141.09119	3.8
145.04947	3.1
145.10100	5.1
147.11696	19.3
147.21457	2.0
149.09644	2.6
149.13257	3.6
149.98143	2.1
151.11224	3.6
153.09109	11.6
155.23357	2.0
158.10889	2.6
163.11151	2.5
163.14873	4.5
165.12793	3.9
167.06999	3.6
171.10269	2.3
173.13254	25.4
191.14316	44.8
203.07071	3.3
209.12207	2.9
209.15388	74.7
213.09038	2.3
214.24605	2.0
227.16438	100.0
241.91228	2.1
259.09470	3.2
288.20999	2.2
375.11520	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	405.3728
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05308	0.5
55.05514	5.2
57.03424	0.5
57.07078	8.9
67.05493	1.1
69.03432	0.8
69.07068	9.5
69.33852	1.3
69.34271	2.5
71.08634	5.9
77.94175	0.4
79.05479	1.4
81.07056	2.2
83.01344	6.5
83.04980	1.1
83.08619	5.9
85.02912	0.5
85.06547	0.8
85.10181	2.4
91.05480	0.9
93.07060	2.2
95.08620	2.3
97.06534	2.3
97.10163	3.7
107.08581	3.3
109.06507	1.1
109.10160	1.5
111.08076	3.1
111.11718	1.8
119.08605	0.6
121.06479	1.0
121.10192	2.3
123.08077	2.0
123.11747	0.6
125.05989	4.6
125.09634	4.9
127.07561	1.9
135.08044	1.1
135.11694	1.4
137.09625	1.6
139.07542	18.0
139.11186	3.3
139.80014	0.4
145.10110	0.5
147.11661	0.5
149.09637	0.7
149.13258	0.5
150.85959	0.4
151.11179	3.6
153.09120	5.4
153.12747	1.7
159.11710	0.9
163.11220	0.5
163.14769	0.5
165.12761	0.8
167.10677	7.3
167.14264	0.5
177.12750	0.6
179.17874	0.5
181.12236	9.5
191.06633	0.4
191.14368	1.1
195.13835	7.4
205.15935	0.8
209.15384	6.2
223.16930	3.6
237.18475	1.4
251.19998	1.7
265.21677	2.0
279.23257	2.5
293.24774	2.0
307.26401	1.0
321.27939	1.1
335.29465	0.9
349.30847	1.1
387.36194	1.3
405.37274	100.0
406.37482	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62426	3.0
52.85181	3.5
53.03941	6.6
55.01867	17.2
55.05305	3.4
55.05516	38.5
57.03428	8.4
57.07063	5.4
57.91139	3.3
65.03927	4.5
65.52489	3.7
67.05175	5.3
67.05508	73.6
69.03427	32.0
69.07069	84.3
69.17571	24.2
69.18000	12.5
71.04995	8.4
76.15215	3.1
79.05486	52.7
81.03415	27.5
81.07063	75.9
83.04976	13.9
83.08618	18.6
85.02893	15.6
85.06533	4.2
87.04465	4.1
91.05483	64.9
93.07050	67.0
95.04948	11.3
95.08615	64.0
97.02872	10.4
97.06522	9.2
97.10153	9.6
99.04449	6.2
99.08067	6.6
103.05533	6.6
105.07032	73.8
107.04942	14.5
107.08604	51.8
109.02892	4.8
109.06507	9.7
109.10162	28.9
111.04453	15.9
111.11745	18.9
113.09626	6.5
115.03978	4.0
115.05443	8.9
117.07018	37.3
119.07793	5.7
119.08591	74.4
121.06486	9.1
121.10154	38.2
123.08060	12.3
123.11700	11.1
128.06183	8.4
129.05513	4.1
129.06996	27.3
129.12781	6.6
130.07791	4.3
131.04930	4.7
131.08572	54.5
133.06474	15.5
133.10132	43.6
135.08038	8.4
135.11658	21.5
141.07040	8.2
142.07814	4.3
143.08559	25.0
145.06467	9.3
145.10129	48.8
145.43756	4.0
147.08037	35.1
147.11682	25.5
149.02364	45.5
149.09615	7.8
149.13246	12.4
151.07498	3.9
155.07320	3.3
155.08479	16.5
157.06566	4.6
157.10132	34.8
159.08038	8.1
159.11688	40.4
161.05983	5.7
161.09604	10.3
161.13254	14.9
163.11252	4.3
165.06949	4.9
165.12808	3.3
167.03465	6.6
167.07086	4.5
167.08583	9.9
168.09276	3.6
169.10153	22.1
171.08018	6.5
171.11717	37.9
173.09578	10.4
173.13208	26.2
175.07555	11.3
175.11223	6.3
175.14825	7.8
177.09140	3.3
179.08540	6.4
179.10622	3.8
181.10097	11.6
183.11702	26.4
185.09546	5.7
185.13239	17.8
187.11194	10.3
187.14876	8.4
191.14288	3.9
195.11714	14.6
197.09579	6.7
197.13210	17.9
199.11157	10.0
199.14755	13.6
201.12808	7.2
201.16389	5.2
203.10632	4.0
205.12067	3.9
207.11739	6.7
209.13336	20.3
211.14798	14.3
213.12807	8.8
213.16388	6.4
215.14400	5.7
221.13292	6.2
223.11240	4.3
223.14783	10.5
225.12737	5.6
225.16364	10.0
227.14258	4.2
229.12228	6.7
229.15991	3.7
231.13844	4.5
235.14784	6.4
237.16460	5.4
239.17924	4.8
243.13696	3.6
249.16376	6.3
251.17859	7.0
253.19609	4.1
257.15338	4.4
259.20569	9.7
261.22238	5.4
265.19241	4.1
273.22122	12.8
277.21707	5.5
281.22568	5.8
285.22217	5.9
289.21545	7.7
291.23227	4.9
295.20624	3.6
301.21518	5.4
315.23138	14.7
319.22910	7.7
323.23602	5.1
327.23340	7.9
331.16953	7.5
335.23569	4.4
341.24625	14.0
345.24152	9.9
351.23248	14.1
369.24261	47.2
387.25375	53.5
387.30069	7.1
405.20483	17.2
405.26276	100.0
405.31491	96.5
405.36978	9.0
426.84644	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	405.2637
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
50.54513	1.6
53.03936	5.0
55.01886	6.8
55.05517	28.6
57.03428	4.1
57.07065	3.5
59.04993	3.7
64.34224	1.7
65.03932	3.3
67.05181	2.6
67.05509	41.9
69.03431	20.3
69.07072	100.0
69.25306	5.8
69.25739	7.9
71.04990	4.0
71.08602	1.9
73.02920	2.8
73.98689	1.4
79.05502	34.3
81.03416	17.2
81.07061	44.7
83.04989	7.6
83.08621	9.2
85.02891	6.4
85.06538	2.8
91.05483	42.9
93.06477	2.3
93.07049	41.1
95.04984	9.0
95.08611	34.7
95.09202	1.3
97.02890	9.2
97.06515	4.8
97.10151	4.6
99.04424	4.4
105.03374	2.2
105.07037	39.0
107.04964	7.9
107.08607	22.0
109.02869	3.2
109.06558	7.4
109.10161	14.0
111.04478	8.2
111.08089	2.4
111.11727	21.4
115.03931	1.6
115.05444	2.6
117.07037	19.9
119.07790	2.8
119.08582	32.1
121.02827	3.0
121.06494	5.0
121.10146	18.1
121.89748	1.6
123.04412	2.0
123.08084	3.8
123.11696	5.7
125.09637	2.6
127.03913	2.6
128.06210	3.9
129.05489	4.8
129.07011	14.3
129.12778	11.5
131.03323	1.5
131.08578	27.1
133.06488	9.2
133.10141	23.8
135.08038	5.0
135.11710	12.5
137.05933	2.6
137.09598	4.3
137.13301	1.6
139.03848	1.5
141.06952	4.6
142.07794	3.0
143.08592	15.9
144.09268	2.0
145.06505	4.8
145.10124	26.0
147.08081	8.4
147.11685	17.4
149.01144	3.4
149.02350	70.6
149.09607	5.2
149.13229	4.9
151.07495	2.9
151.11180	2.5
154.07794	2.4
155.08531	7.3
157.06387	2.0
157.10123	13.8
159.08055	4.4
159.10403	2.4
159.11699	21.3
161.09567	4.1
161.13235	9.1
163.07584	2.5
163.11154	4.3
163.14847	2.7
165.09055	3.3
165.12839	2.0
167.03406	6.4
167.07112	2.5
167.08578	2.1
169.10129	7.7
171.08028	4.0
171.11699	12.0
173.09644	4.2
173.13264	13.3
175.07565	2.0
175.11191	3.6
175.14844	3.0
177.12773	2.5
181.10077	3.1
183.08130	2.2
183.11691	7.1
185.09630	3.2
185.13268	10.6
187.11182	3.5
187.14809	4.1
189.12796	3.6
189.16417	1.6
195.11855	3.0
197.09648	2.2
197.13304	3.8
199.11217	3.9
199.14796	6.0
201.12688	3.5
201.16478	3.2
203.10704	2.8
205.12299	1.4
209.13234	4.5
211.11143	3.5
211.14787	2.4
213.12704	2.7
213.16438	2.3
215.14265	2.4
217.15837	1.7
223.14825	2.0
225.12788	1.5
227.14366	1.8
229.12154	2.0
233.15375	1.8
247.74611	1.4
259.13168	1.8
259.20587	3.6
261.22086	2.7
273.22195	7.0
275.20050	3.3
277.14346	2.4
277.21582	3.6
283.20496	3.0
285.22162	4.4
287.23486	1.8
289.21588	5.0
291.23203	3.5
301.21674	5.8
303.23090	5.8
313.21619	3.7
313.25195	2.0
315.23129	7.5
319.22595	7.4
323.23691	2.8
327.23145	4.4
331.22662	5.4
333.24408	1.9
341.24698	11.2
345.24240	4.6
351.23196	11.1
359.25656	5.2
369.24261	32.5
387.25339	44.2
405.20648	4.9
405.26321	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.3
55.05510	9.0
57.03438	5.1
57.07075	4.0
67.05496	3.8
69.07063	7.8
70.61971	1.7
70.62331	0.6
71.08630	1.8
79.05479	2.1
81.07052	4.2
83.08623	7.5
85.10168	0.6
91.05460	0.5
93.07053	2.9
95.08598	3.6
97.06501	0.8
97.10174	6.1
107.08595	1.9
109.10140	1.9
111.08160	0.7
111.11727	1.6
113.00017	100.0
121.10143	3.6
123.11726	1.2
128.53763	0.5
135.11693	2.6
135.34215	0.4
137.13261	0.9
139.01486	0.7
149.13223	0.7
154.02580	0.5
169.02609	96.1
219.21140	1.4
237.22137	7.7
245.18491	0.5
289.40115	0.5
376.13599	0.5
405.31317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.0
55.01847	1.3
55.05480	0.9
56.09251	0.5
60.99908	0.4
64.28386	0.5
65.03923	0.6
67.05505	2.1
69.03406	1.7
69.07069	2.9
70.38142	1.0
73.89904	0.4
77.03920	0.6
79.05487	3.8
80.73589	0.4
81.03407	1.4
81.07063	2.8
91.04971	0.6
91.05478	7.3
93.03355	0.6
93.07043	5.9
95.04971	2.9
95.08625	2.0
95.23707	0.4
97.02852	0.9
97.06506	1.3
103.05455	1.0
105.03357	0.5
105.07024	8.4
107.04932	1.6
107.08605	2.3
109.06491	1.6
109.10136	1.4
115.05415	2.2
116.06234	0.6
117.07012	4.0
119.04917	1.7
119.08585	7.5
121.06495	1.6
121.10110	1.1
123.08037	1.3
128.06190	2.5
129.06989	6.1
130.07722	0.9
131.04913	1.6
131.08563	5.8
133.06491	7.0
133.10133	3.4
135.04401	1.3
135.08060	2.3
137.09593	0.5
141.06972	5.3
142.07782	2.7
143.08557	6.7
144.05650	0.5
145.06473	5.8
145.10141	4.3
146.07224	1.2
147.08060	5.3
147.11621	0.6
149.09587	0.6
152.06226	0.6
153.06990	4.1
154.07735	2.9
155.08551	20.6
156.09337	4.0
157.06523	3.0
157.10121	5.4
158.07240	0.9
158.10896	0.4
159.08051	7.2
159.11682	1.7
161.05978	15.5
161.09570	2.1
163.07536	5.3
165.05583	0.8
165.06964	4.2
165.09105	0.6
166.07814	1.4
167.08548	6.4
168.09366	4.1
169.06468	4.7
169.07816	0.7
169.10120	10.7
170.07251	1.5
170.10762	0.7
171.08063	2.7
171.11656	4.1
172.08678	0.6
173.05931	0.5
173.09604	4.0
173.13321	1.2
175.07512	2.8
175.11160	0.5
177.09052	0.8
178.07771	0.8
179.08542	2.1
180.09300	1.8
181.06541	2.0
181.10094	4.5
182.07306	0.8
182.10910	7.6
183.08054	20.8
183.11613	4.8
184.08839	3.2
184.12477	0.8
185.09660	5.4
185.13243	1.7
186.10403	1.0
187.07478	1.0
187.11140	1.5
187.14784	1.0
191.08412	0.5
192.09338	1.6
193.10085	0.9
194.10881	1.1
195.08028	5.1
195.11693	4.0
196.08807	4.1
197.09633	5.3
197.13243	16.6
199.07530	2.4
199.11176	18.1
199.14786	4.4
200.11823	0.9
201.09076	2.2
201.12744	2.3
203.10616	0.9
206.10808	0.6
207.11700	4.0
209.09608	5.1
209.13156	1.0
210.10390	7.1
211.11188	2.5
213.09099	1.5
213.12698	2.4
214.13199	0.5
215.10622	0.8
215.14299	4.6
217.12238	0.5
219.11505	0.6
221.09589	0.7
221.13229	0.8
223.11118	2.3
225.12729	100.0
226.13495	3.2
227.10643	1.3
227.14285	4.9
233.09602	0.8
237.12711	1.1
239.10773	0.8
241.12274	0.7
243.13800	41.8
244.14331	0.7
245.15424	1.3
249.12666	0.7
251.10880	0.5
253.12218	0.8
259.11063	0.6
261.12604	0.5
263.14221	0.8
273.12628	0.7
275.14304	0.6
279.13971	0.5
285.12802	0.7
285.16437	0.5
287.14288	0.6
301.12384	0.5
301.15878	1.3
303.13806	0.8
311.14172	0.8
312.14941	0.4
313.15665	0.4
315.13702	0.5
325.12183	0.6
327.13788	0.7
329.15259	0.7
339.13739	0.6
341.19113	0.8
343.16919	1.2
345.18372	1.0
357.18561	0.5
359.20059	1.6
361.17953	2.6
363.19666	1.1
369.18506	3.5
375.19168	0.4
377.21179	1.0
387.19553	16.5
405.20590	71.6
405.31662	1.8
406.20911	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01855	1.4
55.05494	1.9
65.03927	0.6
65.96831	0.5
67.05521	3.2
69.03405	1.9
69.07072	2.7
74.26709	0.4
79.05494	5.0
81.03387	1.4
81.07049	2.7
83.04957	0.8
83.20219	0.4
88.37012	0.4
91.05484	7.8
93.03394	0.5
93.07047	6.2
95.05003	3.1
95.08569	2.0
97.02869	1.3
97.06504	1.4
97.07111	0.5
98.21503	1.1
103.05446	1.4
105.06391	0.6
105.07039	8.5
107.04922	1.2
107.08609	2.2
109.06492	1.4
109.10188	1.0
115.05445	3.0
116.06236	0.9
117.07015	5.1
119.04939	2.8
119.08583	8.3
121.06480	1.4
121.10175	1.0
123.08041	0.7
128.06227	3.5
129.06151	0.6
129.07010	6.6
130.07765	0.7
131.04901	1.4
131.08563	6.0
132.05672	0.5
133.06502	8.0
133.10149	2.8
135.04399	1.6
135.08095	2.4
137.05997	0.6
137.09572	0.5
141.06993	5.2
142.07787	3.3
143.07506	0.6
143.08575	7.8
144.05698	0.7
145.06505	6.9
145.10129	4.3
146.07271	1.3
147.04388	0.5
147.08051	5.6
147.11681	0.6
149.05917	0.5
149.09657	0.5
151.07599	0.4
152.06102	0.5
153.07027	5.3
154.07777	2.6
155.08562	22.1
156.09335	4.7
157.06448	2.9
157.10149	6.4
158.07254	0.9
159.08064	7.4
159.11656	2.0
161.05995	16.4
161.09581	1.9
163.07550	7.2
165.05612	0.9
165.06966	5.6
165.09113	0.9
166.07803	1.5
167.08553	6.2
168.09372	4.2
169.06479	5.5
169.10141	12.5
170.07228	1.4
170.10852	0.5
171.08052	3.9
171.11694	5.1
172.08763	0.8
173.05914	0.5
173.09662	3.6
173.13257	1.2
175.07596	2.6
175.11201	0.6
178.07773	0.7
179.08571	2.4
179.10571	0.5
180.09331	1.9
181.06416	2.0
181.10109	4.4
182.07288	1.1
182.10884	7.4
183.08064	23.3
183.11665	5.5
184.08852	4.2
184.12390	0.6
185.09625	6.5
185.13254	1.6
186.10387	0.9
187.07494	1.6
187.11177	1.2
187.14909	0.9
191.08626	0.5
192.09360	2.2
193.10135	1.0
194.10844	0.7
195.08038	6.6
195.11702	4.2
196.08818	4.7
196.12520	0.7
197.09647	5.7
197.13257	16.2
198.10403	1.0
199.07529	2.0
199.11189	19.9
199.14828	4.1
200.11931	0.8
201.09181	2.3
201.11157	0.4
201.12807	3.1
205.10068	0.6
207.11690	4.5
209.09641	4.4
210.10416	7.6
211.11139	2.3
212.12067	0.6
213.09077	1.6
213.12743	2.5
215.14323	4.8
216.22437	0.4
217.15805	0.7
219.07967	0.5
221.09741	0.6
223.07579	0.4
223.11247	1.8
224.11884	0.5
225.12746	100.0
226.13403	2.5
227.10692	1.3
227.14302	4.2
229.10400	0.5
233.09700	0.9
237.12784	0.8
239.10657	0.8
239.14261	0.7
241.12202	0.5
243.13818	46.0
244.14317	0.7
245.09535	0.7
245.15477	1.2
247.11180	0.7
249.16350	0.5
251.10706	0.9
253.12378	0.9
259.11157	0.9
261.12692	0.7
271.11456	0.4
272.11621	0.4
273.12720	0.5
275.14185	0.7
277.12262	0.7
287.14261	0.6
289.12253	0.8
299.14301	1.0
301.12561	0.5
301.15973	1.5
311.14127	0.9
315.17569	0.6
317.15262	0.6
319.16928	0.7
327.17426	0.5
329.15466	0.7
339.13705	0.8
341.18964	0.7
343.17044	1.5
345.18475	1.4
351.92282	0.4
359.20093	1.8
361.18100	3.7
363.19714	1.7
369.18518	4.1
375.19550	0.6
377.21240	1.2
387.19583	18.7
405.20621	74.7
406.20892	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1909
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
52.91632	0.2
53.03928	0.6
55.01881	0.5
55.05512	0.2
56.40599	0.2
65.03924	0.3
65.27099	0.2
66.04710	0.4
67.05483	0.3
69.03411	0.6
69.85651	0.5
69.86044	0.6
71.05025	0.2
74.51686	0.2
76.45669	0.2
77.03913	0.4
78.04717	3.1
79.05064	0.3
79.05496	4.2
81.03405	0.6
81.07045	0.9
84.08129	0.3
85.02910	0.7
85.06529	0.2
91.05488	2.6
93.07047	0.7
94.04182	0.2
95.04977	1.1
95.08584	0.4
98.20776	0.2
99.04481	0.3
103.05474	5.9
104.06265	0.3
105.03362	0.4
105.04530	0.4
105.07032	6.4
106.04161	2.3
107.04960	8.0
107.08574	0.3
109.02865	0.4
109.06523	0.6
109.10081	0.2
110.06702	0.2
111.08060	0.5
115.05450	2.5
116.06229	0.3
117.07011	1.3
118.04155	0.3
119.04926	0.7
119.08560	0.7
121.02882	0.3
121.06515	2.0
121.10078	0.5
122.03641	0.7
123.04437	7.1
123.08048	0.6
124.05208	2.6
125.06001	0.7
127.03909	0.4
128.06227	0.4
129.07008	0.6
130.07826	0.3
131.04927	7.0
131.08578	0.8
132.05708	0.6
133.06497	6.4
134.03615	0.6
135.04401	0.2
135.08044	1.8
136.05180	0.3
137.05025	0.3
137.05977	3.3
139.07523	0.3
139.11159	0.5
141.06906	0.6
141.56606	0.2
143.04916	0.6
143.06052	0.5
144.05786	0.5
145.06519	2.2
147.04390	2.2
147.08029	0.3
149.05963	0.8
151.03947	1.5
151.07547	3.6
152.04692	2.5
153.05429	0.7
156.05722	0.4
157.06451	0.5
158.07266	0.6
159.08054	0.9
160.05148	0.7
161.05989	7.7
163.07552	15.2
165.09108	0.7
166.06248	0.3
167.07042	100.0
168.07394	0.7
172.05228	0.3
173.05968	1.4
173.09564	0.4
175.07555	2.0
177.05449	0.4
177.09151	2.3
178.06241	0.3
179.07021	2.7
181.08598	5.1
187.07565	2.4
189.09102	0.5
191.07065	0.3
192.07878	0.3
193.08612	20.0
195.10184	0.6
201.09181	1.0
203.08594	0.4
204.02950	0.5
205.08595	1.4
207.10199	0.5
208.14105	0.4
212.22142	0.3
217.08614	0.8
219.08202	0.5
219.10159	1.7
222.04082	0.2
225.14813	0.3
226.11046	0.3
231.08038	0.7
233.11835	1.4
235.11234	0.3
237.11302	1.2
248.08344	0.6
259.07355	0.3
263.10645	1.1
277.08691	0.4
291.10132	1.0
295.13437	0.6
305.11792	0.3
313.14600	0.3
323.12796	2.5
327.15771	0.3
355.15417	5.4
373.10376	0.2
387.18057	1.8
405.12491	0.2
405.19153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01859	0.8
56.13897	0.5
57.03399	0.7
60.57862	0.4
67.05512	1.2
69.03411	1.5
69.07079	0.6
69.38152	2.8
69.38557	1.3
71.04971	0.5
75.70554	0.4
78.04708	3.4
79.05495	5.6
81.03432	1.2
81.07043	2.0
85.02879	1.9
85.06512	0.7
91.05473	3.1
93.07026	2.0
95.04963	1.6
95.08584	1.5
97.02897	0.8
97.06541	0.9
98.21476	1.1
103.05473	6.5
104.67422	0.6
105.07036	8.0
106.04174	2.0
107.04960	8.1
107.08609	0.6
109.02873	1.1
109.06516	1.3
109.10110	0.5
111.04482	0.6
111.08057	1.1
111.74976	0.6
115.05422	2.6
117.07009	1.4
119.04927	0.7
119.08569	0.9
121.06493	2.1
121.10130	1.9
122.03615	0.8
123.03594	0.5
123.04436	7.7
123.08058	1.4
124.05209	3.3
127.03907	1.6
129.07007	0.9
131.04919	7.3
131.08557	1.1
132.05756	0.5
133.06497	7.0
133.10120	0.8
135.08052	1.6
137.05986	3.6
139.07545	1.9
139.11189	1.3
141.06921	0.7
143.04881	0.5
144.05745	0.8
145.04997	0.6
145.06487	1.7
147.04419	2.0
147.08025	1.1
151.03891	1.6
151.07526	3.2
152.04692	2.8
153.05429	0.8
153.09125	0.5
155.08607	0.5
157.08658	0.7
160.05128	1.0
161.05989	9.3
161.13219	0.7
163.07545	15.7
165.09146	0.8
167.07042	100.0
173.05997	0.9
175.07559	1.9
177.09090	2.4
179.07034	3.0
181.04977	1.0
181.08586	4.9
181.12236	10.0
187.07556	1.9
188.03432	0.6
189.09239	0.7
192.07898	0.6
193.08611	19.1
201.09184	1.3
203.06979	0.6
204.02811	1.0
205.08620	1.2
205.61740	0.5
207.10207	0.9
207.13795	1.5
219.10191	2.1
220.08824	0.7
222.03944	0.7
225.14853	5.3
233.11702	1.7
237.11163	1.1
243.15955	1.9
248.08342	0.8
259.07187	0.6
263.10797	0.8
289.11951	0.9
291.10120	1.1
295.13202	1.0
323.12738	2.7
327.09430	0.6
355.15396	5.9
373.10199	0.9
387.17975	1.8
405.20200	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
55.01868	3.3
55.05512	1.0
60.61898	0.8
65.02696	0.8
65.03029	0.9
66.61295	1.0
67.05497	1.4
69.03432	2.0
69.07065	1.1
70.21156	3.5
71.04972	1.1
73.00905	0.9
79.05491	2.0
81.03423	1.3
81.07042	1.8
83.04939	1.2
83.08621	0.9
85.02898	2.4
91.05504	1.2
93.07029	1.8
95.08606	1.6
97.02866	1.5
97.06541	1.7
100.07633	0.8
101.33379	0.8
103.05466	0.9
105.07050	2.5
105.36860	0.9
106.04183	0.9
107.05001	1.1
107.08606	1.4
108.08111	2.1
109.02897	2.1
109.06521	1.1
109.10168	1.1
111.08130	0.8
119.08583	1.1
121.10155	1.4
123.04417	1.3
123.08081	17.5
123.08968	1.7
124.08418	10.9
125.09669	0.8
131.08583	1.5
132.89291	0.8
133.10201	1.2
135.08113	1.2
135.11732	1.0
145.06557	0.9
147.04335	0.9
151.11198	1.6
152.11501	1.6
161.05972	2.2
163.07561	1.9
167.07059	18.1
179.07010	1.1
181.08722	1.7
182.12608	1.3
183.09131	1.8
184.07578	1.1
189.10310	1.3
193.08617	2.2
197.07098	9.4
198.09232	1.6
199.08687	2.4
202.08688	1.3
208.14102	1.8
211.08653	11.1
212.09282	1.2
213.10202	2.1
225.06573	15.2
225.10109	7.6
225.14804	2.4
226.07089	1.8
226.09010	1.4
226.15175	5.9
227.08180	3.2
227.11815	2.6
229.09735	1.6
239.04631	4.8
239.08170	30.1
240.08971	2.7
241.09717	2.1
243.07649	3.8
245.12863	23.9
251.08426	1.1
253.06081	2.2
253.09749	18.3
254.10577	1.5
255.07687	2.8
255.11267	2.7
257.05685	2.9
257.09204	7.6
263.08041	1.1
267.07666	16.9
271.10773	11.0
273.08746	1.5
275.10458	1.1
281.09265	20.8
283.10919	2.2
285.08655	5.0
289.11902	4.6
293.09192	3.1
295.07184	1.2
297.08563	1.8
299.06912	1.7
299.10242	28.9
301.11823	1.6
309.08707	25.3
311.10239	4.5
317.11237	3.1
327.09750	52.1
329.11288	9.4
337.08246	3.0
345.10825	87.0
355.09348	8.2
359.11990	1.2
369.10291	1.3
373.10306	100.0
374.10730	2.0
383.54852	1.0
387.11517	4.3
405.12866	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.0
60.04072	2.8
67.05497	4.7
69.03416	6.3
70.06589	5.4
71.04985	15.8
71.19820	4.2
71.20152	6.3
79.05493	6.1
81.03400	9.3
83.04928	3.9
83.08597	6.5
84.08633	3.3
85.02914	20.7
85.06561	3.6
87.00837	3.7
91.05487	16.5
93.07085	5.9
95.04980	9.0
95.08589	3.7
97.02904	8.3
97.06540	5.8
99.04465	50.9
105.01830	4.5
105.06992	8.7
107.04914	3.8
107.08602	19.9
109.02867	8.4
109.06547	20.6
109.10133	5.4
119.04922	12.5
119.08577	6.7
121.10113	10.0
123.04419	5.2
123.08079	50.6
123.11690	8.6
125.05984	3.8
125.09608	6.6
127.03890	13.3
131.08504	6.2
133.10117	4.3
136.05185	14.1
139.07529	6.4
145.04976	5.7
147.11743	5.7
149.05991	4.1
149.09613	19.1
150.17441	3.7
151.07547	49.7
161.13277	3.4
165.12769	8.6
167.07036	21.4
167.10660	24.0
168.07478	4.9
176.76384	3.2
183.13805	21.7
189.12793	6.1
193.08502	6.4
207.13768	12.6
217.51767	3.6
225.11356	26.1
225.14845	100.0
326.42770	3.9
404.30090	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	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92001	0.5
55.01857	0.9
57.03421	0.7
59.04967	0.7
59.62576	0.6
61.02922	0.8
64.29233	0.5
64.81759	0.5
65.10462	0.5
67.05491	0.8
69.03428	3.1
69.07056	0.7
69.78082	1.2
69.78496	1.4
71.04992	1.2
73.02917	0.6
79.05485	1.2
81.03415	1.3
81.07052	4.3
85.02905	23.8
86.09699	0.8
87.00819	1.0
87.04455	0.5
91.03916	0.6
91.05471	4.4
93.07030	2.2
95.04967	1.6
95.08592	1.4
97.02898	2.6
99.04464	0.8
103.05447	1.2
103.14423	0.6
105.01847	1.4
105.07047	3.5
107.08591	4.4
109.02864	0.9
109.06496	1.3
109.10143	2.2
112.91924	0.6
116.10686	0.6
117.07034	1.0
119.04954	4.5
119.08617	3.1
121.06535	1.4
121.10156	3.5
123.04462	0.5
123.08064	0.6
123.11710	14.3
127.03894	2.4
131.08574	1.9
133.06470	0.6
133.10081	0.5
135.08029	1.6
135.11743	0.7
137.05981	1.4
137.09615	2.3
141.05458	0.5
143.08559	1.3
145.04941	2.3
145.10129	2.1
147.04414	9.4
147.08043	2.3
147.11693	4.1
149.09627	7.5
156.09338	1.9
157.08563	1.5
159.11729	0.6
161.05879	0.9
161.13239	0.7
161.45955	0.5
165.05498	0.8
165.09187	0.7
167.06992	0.7
167.10748	0.9
171.11659	2.2
179.07024	2.2
189.12753	11.1
193.04959	100.0
194.05319	1.9
207.13806	25.9
211.06003	0.9
214.17998	1.0
225.07590	10.4
225.14952	0.9
243.08655	1.9
386.25562	0.9
410.01080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44238	2.5
55.05511	5.2
58.02988	2.2
67.05502	8.1
69.03436	3.3
69.91163	9.3
71.04990	6.0
79.05482	5.5
79.13252	2.1
80.65141	2.4
80.83398	2.5
81.07040	8.4
83.04980	4.6
84.04514	2.6
85.02905	22.9
86.09712	4.7
91.05486	27.9
93.07057	7.0
95.04961	3.9
95.08586	6.9
97.02900	3.9
97.06507	4.3
98.21432	3.1
99.04469	22.9
100.07589	2.7
105.07049	7.0
107.08595	18.3
109.06541	21.5
109.10166	56.9
111.08095	4.4
117.71423	2.1
119.08595	6.8
121.10172	14.6
123.08087	15.6
123.11723	19.2
125.09652	5.9
131.05014	2.0
131.07564	1.9
131.08569	5.2
133.10100	3.0
137.06039	2.2
137.09636	23.1
145.10132	3.2
147.11681	13.2
149.09624	8.6
151.07527	13.0
161.13205	4.1
163.11243	4.5
165.12762	100.0
167.07047	5.7
167.10710	9.1
171.11720	2.7
179.14323	8.1
183.13811	5.3
189.12717	17.3
190.13338	2.4
207.13814	83.1
225.14862	31.2
239.08308	4.3
253.09711	3.5
299.10220	6.3
309.08777	3.7
320.19766	2.6
327.09753	6.3
345.10760	11.8
373.10269	9.6
405.12619	5.0
427.77591	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
55.05501	4.8
57.03423	2.7
57.07085	6.1
59.05007	1.5
59.66528	1.2
60.04525	1.7
61.87503	1.2
67.05505	18.6
69.03415	4.5
69.07056	4.1
70.06583	1.5
71.04990	2.2
71.55379	2.0
79.05489	3.9
81.03429	1.7
81.07059	3.7
83.04979	3.1
85.02912	13.1
85.06549	20.0
86.09708	1.8
91.05487	4.4
93.07040	8.4
95.04984	1.6
95.08611	100.0
97.02889	4.4
97.06506	2.1
99.04471	1.9
99.08096	9.8
103.05488	2.1
105.07035	8.0
107.04962	1.9
107.08590	8.7
109.06514	4.2
109.10108	3.1
111.08073	2.3
113.06020	19.3
117.07052	1.6
119.08594	24.3
121.10153	7.0
123.08076	11.3
123.11729	2.1
127.03925	4.4
127.07563	33.3
130.55074	1.2
131.08498	1.7
133.06447	1.5
133.10138	4.0
135.08038	3.7
135.11687	5.8
137.05991	3.3
137.09615	5.2
137.13213	1.3
138.05460	1.6
139.11156	1.7
145.04982	4.0
145.10197	1.8
147.11679	8.8
149.09625	44.6
151.07584	2.7
153.09081	1.6
155.07059	1.9
156.06560	5.0
161.13263	19.3
163.11201	2.0
165.09120	1.3
165.12793	3.7
167.07076	3.8
171.11702	1.8
173.09586	2.6
179.14294	8.1
182.12611	3.5
189.12750	10.5
191.14297	2.0
207.13805	62.8
211.24968	1.3
215.09135	3.0
225.14844	6.7
242.14597	1.7
341.58167	1.2
369.19141	1.3
386.25385	4.7
404.26703	1.8
405.12134	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	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.6
67.05500	3.5
69.03433	5.3
70.09754	6.2
70.10149	5.6
72.26625	2.8
76.09628	2.8
78.71555	2.4
79.05482	8.2
81.03443	2.7
81.07042	7.3
83.04978	3.1
85.02907	12.9
85.06506	6.1
87.00819	3.1
91.05481	16.7
93.07031	4.8
95.08604	6.3
97.02914	3.6
98.20859	3.1
103.05470	3.5
105.07045	43.5
107.08598	12.6
109.06512	13.0
116.10708	3.1
117.06988	5.2
119.08584	43.9
121.02863	10.4
121.06449	3.3
121.10133	11.7
123.04417	4.6
123.08047	7.3
127.03911	4.4
131.08572	11.3
133.06491	6.0
137.09651	8.3
138.17020	2.8
145.10097	17.2
147.11694	79.0
149.09628	13.1
151.07533	5.7
156.09349	5.0
161.13217	6.1
163.07578	4.8
165.12791	4.5
167.07045	31.8
171.11626	3.6
187.07614	3.4
189.12759	55.5
192.23595	3.0
193.08589	5.1
207.13808	100.0
225.14842	5.5
341.27762	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	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27388	1.2
55.01880	1.6
56.26417	1.3
59.27656	1.3
61.02945	1.5
67.05498	2.2
69.03430	3.6
69.07074	1.7
69.46897	3.2
69.47311	8.0
70.98055	1.2
71.05029	1.7
79.05489	3.1
81.03424	2.4
81.07070	19.3
85.02917	79.4
91.05484	8.2
95.08607	4.7
97.02918	1.5
98.20663	2.3
105.07038	6.2
107.08598	4.3
109.10166	9.0
119.04974	10.7
119.08582	8.5
121.10162	8.1
123.08151	2.3
123.11722	100.0
125.06004	5.2
125.09624	2.0
127.03916	2.6
145.04990	2.3
145.10146	3.7
147.04439	8.8
147.08086	2.3
147.11676	11.3
149.09604	5.9
151.07584	2.4
156.09286	2.2
157.04024	1.7
165.12730	2.1
175.03923	21.6
180.08855	2.2
188.67194	1.7
189.12793	22.1
192.04239	4.5
207.06552	52.6
207.13831	72.8
225.07620	20.6
225.14894	22.3
274.08502	1.5
323.37610	1.7
404.12375	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87576	2.3
61.72903	2.2
67.05502	6.5
67.13272	2.9
69.03460	15.4
69.07070	8.2
69.07432	2.6
69.73439	11.8
70.06587	3.3
79.05503	5.8
81.03418	6.4
81.07066	12.7
81.26908	3.2
84.08162	2.9
85.02917	7.7
91.05477	5.6
91.55347	2.7
93.07047	8.5
95.04946	7.8
95.08606	7.6
97.06534	5.7
105.07059	21.7
107.08588	8.8
109.06530	10.4
109.10165	3.0
111.08095	4.2
119.08585	11.2
121.06550	3.3
121.10150	13.4
123.04423	20.6
123.08100	7.9
127.03964	3.9
131.08511	3.8
133.06503	5.4
133.10147	42.7
135.08031	3.6
137.05969	4.2
137.09621	29.2
139.11247	5.6
147.08055	3.2
147.11716	14.6
149.09631	4.1
151.07530	3.4
154.08664	22.2
155.08958	6.9
156.09296	12.3
159.08113	3.2
159.11700	4.9
161.13263	10.5
163.11240	7.2
171.11687	10.2
174.10378	5.8
181.04938	2.6
189.12769	39.5
207.13817	100.0
225.14877	74.4
325.58142	3.4
404.15985	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20811	0.8
55.01873	2.5
55.59021	0.7
56.05018	1.0
56.10393	0.9
57.03419	2.0
58.99587	13.5
67.05508	1.8
69.03433	2.5
69.07077	4.5
69.61911	3.9
70.06595	1.1
74.06088	1.0
76.02231	94.2
76.03983	2.5
79.05499	9.8
81.03407	0.9
83.06070	1.0
84.04507	28.0
85.02895	3.4
86.09701	1.4
86.99046	3.6
88.02222	2.0
96.08147	1.0
97.02873	1.4
97.06537	100.0
98.97526	1.5
103.21136	1.0
114.03793	1.4
116.01682	20.9
116.98616	0.9
117.03368	2.0
119.04965	1.3
121.06490	1.8
127.03912	1.7
130.05011	14.8
138.05478	1.6
142.03229	8.8
144.01154	14.1
145.02850	5.8
149.05989	1.6
162.02211	42.1
163.03928	1.1
170.02721	4.0
172.07843	1.3
177.05515	10.9
179.04861	78.2
187.05362	2.6
199.05367	1.6
207.06552	2.7
215.04900	1.8
216.03119	1.1
225.07568	1.2
233.05925	22.3
242.04825	1.0
242.13911	3.3
245.05852	3.5
290.08011	1.3
291.06354	2.0
301.49417	0.9
308.09113	38.4
404.11703	1.3
404.15887	5.0
404.19919	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01863	0.5
57.03419	0.8
61.02916	1.1
67.05495	0.6
69.03443	1.9
69.49249	0.5
70.99590	0.8
71.04972	0.4
79.05505	0.6
81.03404	1.4
81.07085	2.6
81.76368	0.3
85.02911	14.6
86.09682	0.7
87.00837	0.7
91.03918	0.6
91.05483	3.7
93.07038	1.7
95.08578	0.9
97.02902	2.9
99.04458	1.0
103.05459	1.1
105.01862	0.8
105.07017	1.6
107.08611	1.8
109.02879	1.1
109.06519	0.7
109.10162	1.3
115.05490	0.5
116.10698	0.4
117.07056	0.5
118.04077	0.5
119.04955	5.5
119.08591	2.1
120.82309	0.4
121.06476	0.7
121.10168	2.4
123.08082	0.5
123.11706	7.9
125.06007	0.6
127.03928	2.6
131.08568	0.9
135.08047	1.1
137.06001	1.0
137.09590	2.2
139.07574	0.4
143.08618	0.6
145.04964	2.2
145.10120	0.9
147.04420	9.1
147.05524	0.9
147.08061	1.0
147.11690	2.1
149.09639	3.1
150.07088	0.4
156.09323	1.0
161.05936	0.5
165.05487	0.9
165.09160	0.6
167.10645	0.5
169.65117	0.4
171.11722	1.5
179.07054	2.0
183.20819	0.4
189.12767	4.4
193.04964	100.0
194.05292	0.6
201.05321	0.4
207.11884	0.8
207.13812	12.4
211.06017	0.8
214.18042	1.1
225.07579	12.6
231.05064	0.4
243.08623	3.3
343.78217	0.4
357.72089	0.4
386.25458	0.7
404.16074	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01868	1.9
55.05508	8.9
57.03465	1.3
57.07075	2.6
65.03947	2.9
67.05507	17.3
69.03082	2.5
69.03436	34.2
69.07069	9.1
70.06580	1.7
71.55624	1.5
72.08143	1.6
74.69204	1.1
79.05500	14.5
81.03420	1.5
81.07062	35.8
83.05001	2.7
83.08636	4.8
85.02924	2.3
85.06541	1.8
91.05492	19.0
93.07052	33.3
95.04985	3.5
95.08614	60.6
97.06506	1.3
97.10172	2.5
100.11288	2.9
103.05481	2.6
105.03401	1.5
105.07041	33.5
107.04962	2.9
107.08602	30.1
109.02883	1.2
109.06511	2.7
109.10167	20.3
115.05453	1.3
117.07018	9.8
119.08590	30.3
121.06506	4.3
121.10148	28.0
123.08086	2.9
123.11728	10.6
125.09612	1.7
128.06241	2.7
129.06961	5.9
131.05002	1.6
131.08569	19.3
133.06520	1.9
133.10141	36.2
135.08089	2.2
135.11696	15.6
137.06012	5.8
137.09634	2.1
137.13260	3.4
141.06982	2.3
142.07771	3.3
143.08566	12.6
145.10136	15.8
147.08083	2.6
147.11688	18.5
149.09647	17.7
149.13278	13.5
151.11188	1.6
154.12210	1.2
155.07062	2.7
155.08563	5.3
156.09369	1.6
157.10155	16.4
159.08115	1.5
159.11700	15.9
161.09608	7.7
161.13251	11.0
162.44817	1.2
163.07466	1.3
163.11168	5.6
163.14854	8.8
165.09184	1.3
167.07100	7.2
167.10669	4.7
169.10121	5.9
171.11671	11.3
173.06136	1.3
173.13261	12.1
175.11205	5.9
175.14830	23.2
177.12764	4.0
177.16409	5.0
179.10783	2.1
183.11661	6.4
185.09590	1.4
185.13281	10.1
187.13420	1.4
187.14806	8.9
189.12762	3.1
189.16396	52.5
197.09724	1.3
197.13216	5.6
199.11282	2.4
199.14832	6.2
200.15831	1.2
201.16425	4.3
203.14328	3.8
203.18034	1.6
207.06781	1.1
210.01678	1.2
211.14868	7.6
213.16406	8.3
215.14381	2.3
215.17984	2.4
217.15997	1.4
221.15408	2.0
223.14909	1.2
225.16400	6.8
227.18062	5.7
229.15909	2.7
229.19579	3.6
231.17496	6.3
239.17987	5.9
241.19594	2.2
243.17548	2.1
249.18462	2.8
262.68292	1.3
271.24271	2.3
273.22137	1.4
281.22647	49.4
282.22839	1.7
299.23709	94.4
317.24762	100.0
318.25165	1.2
324.15335	1.2
385.18237	1.6
385.23572	1.4
403.19412	11.1
403.28513	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	403.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.6
53.71908	2.8
55.01862	2.8
55.05512	10.6
57.07093	4.0
65.03940	3.1
65.90243	2.5
67.05511	21.9
69.03438	31.3
69.07064	11.8
69.69796	12.0
70.06575	5.5
72.08148	2.5
79.05506	23.2
81.03448	3.3
81.07056	38.3
83.04990	3.2
84.08144	66.4
84.38675	2.8
85.02903	5.0
91.05486	24.5
93.07046	34.5
95.04961	11.6
95.08614	61.6
97.02876	3.6
97.06539	15.7
97.10176	2.7
99.04494	3.8
99.47131	3.4
100.07629	2.6
100.11254	4.2
103.05465	6.6
105.03377	3.2
105.07026	34.7
107.04990	14.6
107.08604	28.9
109.02875	5.3
109.06499	2.9
109.10157	20.1
111.08068	3.6
115.05444	5.1
117.07014	7.4
119.04969	3.2
119.08586	36.7
121.06489	8.8
121.10157	35.8
123.04435	11.9
123.08095	7.5
123.11716	11.1
124.05227	2.8
127.03877	3.3
128.06285	3.2
129.01875	3.1
129.06978	6.4
130.08664	4.7
131.04884	3.8
131.08560	18.9
133.06470	5.5
133.10146	31.6
135.08063	4.6
135.11736	14.9
137.05965	5.3
137.09621	4.3
139.03915	8.5
141.07013	3.6
143.08575	12.7
145.06534	5.3
145.10088	15.1
147.04453	3.8
147.11728	21.4
149.09622	19.3
149.13222	12.7
151.03931	4.0
151.11185	2.7
153.05473	5.2
153.12752	2.5
155.08601	4.6
157.10143	15.5
157.84412	2.7
159.11743	16.9
161.06013	6.8
161.09631	8.1
161.13269	9.9
163.03899	3.9
163.07411	2.8
163.11200	5.4
163.14833	9.7
167.03357	3.2
167.07043	100.0
167.10777	3.9
169.10162	6.3
171.11734	12.6
173.06027	6.0
173.13263	16.1
175.07481	4.9
175.11153	6.4
175.14848	18.6
177.05472	6.8
177.16357	3.3
179.08521	4.0
181.04898	3.0
183.11717	6.5
185.13271	10.2
187.14832	7.3
189.05550	5.0
189.12785	4.5
189.16386	45.0
191.07014	4.0
197.13281	3.7
199.14815	7.8
201.05486	12.0
201.16432	3.7
203.07059	6.2
203.14313	4.4
203.18059	4.0
207.06470	3.7
209.08144	7.0
211.14799	9.7
213.05641	3.7
213.16280	6.4
219.06487	6.6
223.16884	3.1
225.16473	5.9
227.17754	3.9
231.06490	5.6
231.17442	7.5
235.07570	3.8
235.09695	7.8
239.18042	5.8
267.10052	4.3
281.08243	3.4
281.22659	49.5
295.09641	4.7
299.23694	86.0
309.07828	3.5
313.10654	5.8
317.24756	93.7
321.07596	3.5
323.09061	7.5
327.12320	3.6
337.10614	4.7
341.10025	4.1
355.11859	22.9
356.12103	3.0
358.10382	6.8
367.11868	4.1
373.12878	12.6
385.12646	4.6
403.13861	6.1
403.28436	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73629	1.5
55.05509	4.6
67.05492	9.0
69.03438	7.4
69.07066	4.2
69.33141	13.0
79.05499	11.1
81.07064	21.8
83.08637	2.5
91.05491	19.3
93.07053	23.5
95.08609	24.3
97.06530	1.6
97.10159	3.1
105.07040	25.9
107.08602	17.5
109.10161	14.2
117.07036	7.8
119.08591	44.2
121.10160	33.6
123.08092	2.8
123.11707	5.7
129.07033	3.7
131.08595	12.4
133.10156	25.8
135.11713	11.3
141.07002	2.5
142.07794	2.0
143.08589	7.8
145.10132	15.3
147.11690	11.0
149.09573	8.4
149.13266	7.1
155.08578	3.6
157.10149	14.4
159.11702	15.5
161.04895	1.6
161.09639	3.6
161.13281	9.3
163.11214	2.2
163.14908	2.6
167.10672	2.1
169.10063	2.3
171.08057	1.7
171.11682	8.4
173.13268	16.2
175.11191	3.6
175.14824	11.1
177.12741	1.7
177.16409	3.1
183.11696	6.3
185.13264	8.5
187.14781	9.1
189.12741	1.5
189.16393	23.4
197.13242	5.9
199.14836	9.2
201.16368	3.4
203.14323	2.5
209.13228	1.7
211.14786	7.9
211.41522	1.4
213.16373	3.8
225.16408	8.0
227.17950	4.4
229.19530	5.3
231.17438	2.0
239.17990	6.0
241.19540	8.7
244.12480	1.5
253.19122	1.4
281.22665	47.6
299.23715	100.0
317.24780	51.8
343.16812	3.4
353.98526	1.6
373.08868	1.6
403.19348	7.7
403.23987	2.4
403.28735	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	403.1963
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
53.03932	3.9
55.01872	2.5
57.07067	2.2
59.04999	1.5
61.95189	1.5
67.05501	3.2
69.03432	16.3
71.09935	4.4
76.20850	1.6
77.03934	1.8
79.05498	3.1
81.03439	1.6
81.07041	3.0
83.04979	8.5
83.85709	1.5
85.02900	4.8
85.06544	3.6
86.09732	2.1
90.92462	1.6
91.05479	14.6
93.07051	55.7
95.04968	5.3
95.08593	3.7
97.06550	3.6
103.05503	3.3
105.07014	3.0
107.08589	3.8
109.06541	2.6
109.10109	3.6
111.08112	2.7
117.07014	2.2
119.08560	3.1
120.62766	1.4
121.06512	100.0
121.10191	3.3
127.07539	7.5
131.08521	2.6
135.08064	2.6
135.11673	2.2
137.09656	3.0
139.07538	3.4
145.10098	3.1
149.05992	4.1
149.09616	5.7
152.59129	1.5
153.09145	2.3
155.10687	7.7
159.11676	10.8
163.11218	2.4
167.07014	2.3
175.11205	3.5
177.12650	2.3
179.10713	2.8
187.11203	6.6
205.12251	58.5
223.13312	24.4
241.14262	3.6
342.00317	1.7
344.40564	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1964
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
51.53708	1.7
55.05499	1.7
56.34609	1.7
58.26955	1.4
59.05001	1.5
59.12012	1.4
67.05519	3.4
69.03433	15.2
69.55580	7.8
72.08155	1.9
79.05492	2.4
81.07056	2.1
83.04987	8.6
83.08646	1.6
83.27332	1.5
85.02905	4.7
85.06529	3.4
89.88772	1.4
91.05492	16.1
93.07054	55.8
95.04976	6.5
95.08620	4.6
97.06537	3.6
98.20753	2.3
99.04478	2.0
105.04510	2.4
105.07051	2.7
107.08604	3.2
109.06531	1.9
109.10149	4.1
113.06000	2.5
117.07030	2.7
119.08598	3.1
121.06512	100.0
121.10134	2.6
127.03906	1.6
127.07560	5.9
135.08067	2.7
135.11699	2.8
137.09593	3.8
139.07521	3.8
140.35660	1.6
145.10118	2.5
149.06010	3.0
149.09676	4.6
149.13286	2.0
153.09149	2.1
155.10683	7.3
159.11707	12.4
163.11234	2.5
167.07050	4.7
168.31653	1.6
175.11177	3.8
177.12674	4.4
187.11256	4.7
193.12230	3.2
205.12257	58.4
211.34586	1.6
223.13283	25.1
241.14281	2.0
403.19864	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
61.02914	0.4
67.05495	0.9
68.99777	0.5
69.03427	1.2
69.07076	0.8
70.06599	1.0
71.04989	0.6
71.55431	0.5
74.31050	0.4
79.05460	0.9
81.03409	1.4
81.07056	0.8
85.02916	3.0
86.09713	3.4
87.00820	0.8
91.05479	1.4
93.07032	0.7
95.04980	1.1
95.08607	1.1
97.02900	1.0
97.06534	1.2
98.97575	0.8
99.04477	2.3
105.01877	0.4
105.07052	0.8
107.08572	1.3
109.02854	0.8
109.06517	1.0
109.10162	0.8
111.08009	0.5
119.08588	1.1
121.06553	0.7
121.10107	0.7
125.09665	0.5
127.03911	2.0
131.08665	0.5
133.10059	0.5
135.08118	0.5
136.07571	0.5
137.05972	1.7
137.09608	1.2
139.03906	0.9
139.07507	0.6
154.08604	0.8
155.07027	1.7
155.10666	1.5
157.08714	0.5
167.07050	1.2
172.69870	0.4
173.06023	0.5
175.07504	0.4
179.40759	0.5
181.12274	1.7
185.04251	0.5
187.14459	0.7
201.05490	1.8
205.12323	0.8
211.13269	1.4
223.08482	0.6
223.13272	1.1
241.14351	1.7
251.08186	1.5
259.11539	1.2
265.06088	0.5
283.07147	0.6
295.09637	0.4
297.08694	0.6
311.06659	3.5
325.08170	0.7
341.15659	4.7
343.13501	2.0
353.07648	4.8
357.10596	0.7
385.10297	0.9
385.15002	0.6
403.11664	5.3
403.15759	100.0
404.16293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56401	1.2
55.01864	1.2
62.03258	1.1
65.03936	1.2
65.19237	1.0
67.05496	2.0
69.03415	2.7
69.34824	5.7
69.35247	3.5
70.50101	1.0
76.49169	1.0
78.04705	3.8
79.05486	4.0
81.03433	1.7
81.07047	3.9
83.04916	1.1
85.02895	2.2
91.05498	5.4
93.03405	1.2
93.07041	3.3
93.29372	1.1
95.04954	4.8
95.08609	3.7
97.06528	3.2
98.20805	2.2
103.05447	2.1
105.07019	3.1
106.04172	2.5
107.04944	6.1
107.08576	1.9
109.06501	1.8
109.10150	2.6
115.05447	3.0
117.07051	1.9
119.05019	1.2
119.08562	3.2
121.06506	6.7
123.04461	8.4
124.05230	2.5
129.01851	1.3
130.04118	1.4
131.04984	2.5
133.06497	2.6
133.10124	1.5
135.11752	1.7
137.05992	4.8
139.03935	1.5
140.04634	1.8
143.04897	1.1
145.06485	6.1
148.05225	3.8
149.05966	4.4
151.03886	3.6
151.07510	1.6
152.04680	1.4
153.05489	5.0
155.07028	1.9
158.03622	1.5
159.11705	2.4
160.05182	3.2
161.05981	3.2
162.03079	1.0
163.03987	1.9
165.05515	2.0
165.06914	1.2
166.06262	1.2
167.07056	100.0
168.07339	1.3
173.06023	4.6
175.07578	2.7
176.04678	1.2
177.05502	8.1
177.06946	1.6
181.05003	3.4
181.06448	1.3
189.05392	1.1
191.06961	3.0
193.05087	1.5
194.05771	4.1
201.05489	8.5
203.06999	4.0
205.04938	1.6
206.07236	1.4
207.06485	5.1
207.08176	2.6
209.06166	1.0
209.08110	18.2
213.05476	2.7
219.06416	7.1
219.08215	1.0
220.05222	1.7
221.05943	2.7
222.06769	1.0
231.06544	5.7
234.06630	1.3
235.07518	6.7
235.09674	1.9
236.08180	1.4
237.05510	2.1
237.09140	1.5
248.04698	1.4
249.05466	1.5
251.07077	2.1
253.08588	2.8
255.06621	1.1
263.07083	6.6
264.07742	2.3
267.06580	1.3
267.10156	2.0
279.06549	1.4
280.07053	2.0
281.08093	1.9
291.83215	1.1
293.07993	2.5
295.09616	4.4
296.10114	1.0
297.07593	3.0
298.07538	1.2
305.07950	1.2
308.06827	1.6
309.07584	1.2
313.10709	2.3
321.07449	1.5
322.08240	1.3
323.09097	4.8
327.12292	2.5
335.09286	1.7
337.10760	2.7
340.09402	3.0
341.10159	7.2
353.10190	3.6
355.11734	19.8
355.16049	1.3
358.10550	9.7
367.11661	2.9
373.12814	11.8
385.12686	3.7
403.13745	3.3
403.18509	3.4
414.98190	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01870	2.1
55.05507	4.6
56.05023	3.1
65.03938	1.7
65.79700	0.9
67.05509	8.7
69.03433	11.4
69.07059	4.2
69.98218	4.7
70.06595	1.4
71.05003	1.9
71.15826	0.9
78.04688	1.8
79.05494	8.2
81.03407	4.2
81.07057	18.6
83.04997	2.1
83.08605	2.8
84.08147	100.0
85.02895	3.7
85.06542	6.0
91.05476	10.9
93.07048	13.8
95.04967	3.2
95.08057	1.6
95.08614	22.1
97.02927	2.0
97.06529	7.2
97.10145	1.9
99.04454	1.7
99.08077	2.8
100.11271	1.6
103.05456	3.2
105.07021	10.2
105.24052	0.9
106.04214	1.4
107.04958	6.1
107.08600	11.4
109.02885	2.1
109.06505	3.5
109.10168	8.9
111.04446	1.2
115.05455	3.9
117.07008	3.3
119.04917	1.8
119.08595	12.8
121.02843	1.1
121.06495	4.6
121.10157	8.7
122.36920	1.0
123.04435	6.9
123.08055	3.2
123.11679	2.8
124.05214	2.0
125.05960	1.0
127.03909	3.4
129.01875	2.0
129.07001	1.9
129.10216	2.2
130.08667	8.4
131.04907	2.7
131.08548	8.5
132.10599	1.0
133.06485	1.6
133.10153	8.3
134.03665	1.2
135.04433	1.7
135.08116	2.5
135.11691	5.1
137.05984	4.6
137.09657	2.3
137.13275	1.7
139.03897	5.4
143.04915	1.5
143.08591	3.6
145.06488	5.2
145.10114	5.6
147.04407	1.9
147.08066	2.1
147.11713	6.1
148.05174	2.5
149.05965	3.6
149.09630	6.2
149.13240	4.3
151.03883	1.9
151.07547	1.6
153.05476	3.1
155.07047	1.2
155.14349	1.3
157.10126	4.9
159.04419	1.4
159.11691	5.3
160.05269	2.3
161.05977	3.6
161.09650	2.7
161.13263	3.7
163.03954	1.9
163.07541	1.4
163.11238	1.4
163.14816	2.7
165.05539	1.4
165.06888	1.4
165.09201	1.1
167.07054	65.6
169.10135	1.5
171.11766	3.4
173.06009	4.5
173.13301	3.9
175.07556	2.2
175.11157	1.3
175.14850	5.8
177.05487	4.9
177.12871	1.5
177.16373	1.3
179.07051	1.5
181.04974	1.8
181.06433	1.6
183.11774	1.3
185.13280	2.3
187.14856	3.0
188.04671	1.2
189.05461	2.1
189.16402	13.0
191.06970	2.4
194.05768	3.3
197.13232	2.0
199.14859	2.5
201.05450	8.4
203.07045	2.4
203.14188	2.0
205.04866	1.6
207.06523	2.9
207.08194	1.8
209.08072	11.9
211.14812	2.4
213.05495	2.0
213.16324	2.2
219.06552	4.1
221.06046	2.0
225.16418	2.5
229.19533	1.2
231.06551	3.8
231.17409	1.7
233.08041	2.0
234.06808	1.7
235.07520	2.9
235.09695	3.8
237.05455	1.3
238.06148	1.2
247.07532	1.4
248.04773	1.4
249.05577	1.5
249.18562	1.4
251.07043	1.9
252.08011	1.5
253.08405	1.5
263.07071	3.8
264.07599	1.2
265.04858	1.6
278.24792	2.9
279.06482	1.9
280.07544	1.8
281.08026	1.9
281.22675	13.0
290.05576	1.2
291.06506	1.0
295.09738	1.8
297.11795	1.3
299.23730	23.4
313.10748	1.5
317.24774	27.5
321.07684	1.4
322.23782	2.3
323.09143	4.0
325.07086	1.2
327.12384	1.9
335.09299	1.5
337.10623	2.5
340.09390	2.9
340.24786	5.2
341.10117	4.8
341.28146	4.6
353.10153	1.9
355.11798	15.7
358.10565	5.6
367.11810	1.7
371.12228	2.5
373.12912	9.9
385.12738	4.1
385.27258	1.3
403.13904	2.5
403.18924	1.9
403.28174	46.5
408.94568	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77591	0.4
64.67548	0.4
69.03392	0.7
70.71542	0.7
70.71890	1.0
72.08152	0.5
81.03429	0.7
81.07045	0.6
83.27221	0.6
85.02897	1.9
86.09698	1.1
97.02898	0.5
98.21024	0.7
121.10158	0.6
129.01865	0.5
136.05043	1.8
149.09615	0.5
154.06100	2.6
155.06401	1.5
157.03503	0.6
161.09642	0.6
175.04530	0.5
205.12262	1.3
223.13293	1.3
241.12242	0.6
241.14488	0.8
245.05064	0.5
249.57059	0.5
259.07950	4.3
301.08640	1.3
317.11743	1.3
329.08560	0.8
341.12109	11.0
343.09933	6.2
373.34961	0.5
385.11118	0.9
403.12070	100.0
404.12576	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14368	9.3
55.05521	48.1
56.96581	14.9
57.07056	9.3
62.02391	8.5
67.05499	73.9
69.03441	13.6
69.07072	52.1
69.28032	34.8
69.28451	57.6
79.05493	82.3
81.03460	10.7
81.07057	100.0
82.14401	11.6
83.04979	37.7
83.08621	21.5
91.05478	54.7
93.07049	71.2
95.08592	37.0
97.06530	21.8
97.10179	20.9
98.20730	24.5
100.84460	10.1
103.05484	16.2
105.03459	10.7
105.07026	50.8
107.08601	67.3
109.10136	18.5
117.07018	29.1
119.08604	52.9
121.10166	21.0
125.09648	14.2
131.08556	38.5
133.10136	32.8
135.08022	11.1
135.11667	24.0
137.09616	11.5
145.10115	28.3
147.11667	24.7
149.09628	29.9
149.13278	16.9
157.10077	14.5
159.11710	33.9
163.11328	10.9
169.10184	15.6
173.13170	10.5
174.82549	10.8
177.12761	20.1
227.12741	9.6
255.15887	34.8
257.18973	19.5
263.06058	9.6
263.98074	10.3
269.17416	82.8
275.19965	63.2
286.20270	12.6
295.81390	10.6
349.23883	63.1
367.24728	12.9
374.18106	13.1
402.17859	24.4
403.19080	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	401.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96449	1.8
53.03935	7.5
55.01876	14.4
55.05499	8.9
57.03421	5.0
57.07080	80.2
60.74652	1.8
67.05514	23.3
69.03433	34.0
69.07072	18.6
69.72786	1.8
71.05014	9.8
71.05318	2.0
71.08636	62.9
73.02924	10.2
79.05517	1.8
81.02988	2.5
81.03423	36.9
81.07064	35.4
82.97076	1.9
83.08620	25.1
85.02905	10.1
85.10188	31.1
95.08611	48.8
97.02898	100.0
97.10195	11.9
99.04457	71.3
99.11720	4.0
101.02399	2.2
105.06954	2.4
109.02129	2.7
109.02887	48.1
109.10168	23.6
111.11692	5.9
116.24734	1.9
119.08539	2.2
121.10173	2.1
123.11697	11.5
125.13288	2.5
127.03924	98.1
133.10170	2.1
137.13231	6.6
139.04210	3.2
145.04974	14.4
151.14850	3.5
165.16437	2.1
221.22659	4.8
239.23706	78.7
257.24719	4.5
383.28006	10.7
401.27847	2.0
408.55026	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	402.151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50335	0.3
59.04978	0.6
62.93344	0.3
68.01385	1.6
69.03419	1.4
69.04543	1.0
70.06585	0.7
70.23743	1.2
71.05007	0.4
72.08157	0.9
73.41988	0.3
75.52287	0.3
79.37654	0.4
81.03407	1.0
85.02908	4.6
86.09718	0.6
95.02454	6.4
97.02876	1.4
108.05593	1.4
109.02883	0.8
110.07157	1.2
118.04053	0.6
123.04441	1.0
123.51130	0.4
127.03899	0.5
136.05069	42.6
139.03908	0.5
147.04355	0.6
154.06120	100.0
165.05539	0.5
173.94266	0.3
194.11766	0.4
223.09695	0.6
240.12325	1.5
256.09326	1.0
265.94342	0.4
280.09204	2.1
298.10327	5.1
316.11401	38.0
341.12027	0.4
402.15112	37.6
403.11954	4.6
407.19037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62735	4.9
53.03944	9.9
55.05508	15.2
57.07078	36.5
57.27429	4.4
59.33371	4.7
67.05508	32.1
69.03416	13.4
69.07063	22.2
69.75722	9.8
69.76129	23.7
71.04984	10.1
71.08643	28.2
79.05499	28.9
81.03415	12.1
81.07065	46.1
83.08613	15.8
85.06564	8.3
85.10168	13.7
87.04471	5.8
90.77669	4.6
90.97469	4.4
91.05485	54.4
93.07053	58.1
95.04992	9.6
95.08607	56.9
97.02899	39.9
99.04432	12.8
105.07040	96.2
107.08605	49.9
109.02869	11.5
109.06518	57.3
109.10159	29.6
111.08057	8.3
115.05434	5.4
117.07050	26.3
119.08588	95.3
121.10140	21.7
121.53033	4.5
123.08046	7.0
123.11736	5.6
127.03924	21.9
128.06245	12.4
129.07045	29.9
130.07776	11.2
131.08583	63.4
133.10135	99.7
135.08054	20.8
135.11702	29.2
137.09644	16.2
141.07008	10.4
142.07774	31.7
143.08597	48.3
144.09338	9.2
145.04971	8.0
145.10126	100.0
147.08104	7.7
147.11681	22.1
154.07698	6.3
155.08569	23.1
156.09344	15.8
157.10132	72.6
158.10954	14.4
159.11693	40.5
165.06975	8.2
167.08557	12.1
168.09312	6.8
169.10130	27.4
170.10960	10.1
171.11687	40.0
173.13264	45.1
175.14819	29.3
179.08545	16.4
181.10112	16.3
182.10872	13.2
183.11751	24.2
185.13255	16.8
187.14801	48.4
189.12785	5.8
192.09444	5.3
193.08290	4.6
193.10193	14.3
194.10904	8.8
195.11684	17.6
196.12491	8.0
197.13284	18.5
199.14851	21.0
201.12694	6.0
201.16348	6.9
206.10951	7.8
207.11647	13.9
209.13261	31.6
211.14856	13.2
213.12775	6.4
221.13248	26.2
222.13979	6.7
223.14870	8.0
233.13124	5.3
235.14909	6.6
237.16438	12.9
239.17955	6.6
239.23705	13.6
247.14656	6.8
249.16443	5.3
253.15886	5.9
265.19482	8.4
383.28613	5.1
401.12875	33.2
401.17636	33.5
401.28165	30.5
402.14304	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	401.2535
Annotation	Pumilaside B
Peak:m/z	Relative Intensity
53.03947	6.9
55.01883	2.5
55.05510	28.9
57.03429	5.2
57.07072	10.2
61.02911	2.1
67.05506	39.6
68.09930	2.2
69.03437	25.2
69.07069	49.3
69.07419	5.0
71.04995	6.7
73.06570	2.2
79.05502	14.2
81.03415	29.7
81.07059	65.2
81.10375	2.2
83.04987	5.7
83.08614	30.9
85.02903	17.4
85.06544	18.9
91.05489	10.0
92.89531	2.3
93.07043	20.1
95.04966	8.8
95.08607	44.0
97.02875	12.6
97.06522	5.7
97.10164	18.7
99.04451	5.2
99.08087	10.2
105.07030	23.9
107.04965	3.2
107.08591	22.6
109.02882	10.9
109.06537	5.5
109.10163	100.0
111.04435	10.5
111.08096	7.4
111.11714	7.1
113.09614	4.8
115.07617	2.6
119.08578	18.8
121.06548	3.8
121.10149	17.0
123.11720	41.7
125.09645	11.3
127.03918	15.5
127.11195	43.8
129.05467	5.9
131.08580	7.2
133.10136	14.3
135.11694	8.2
137.09673	3.1
137.13266	8.0
139.11179	10.4
142.07808	2.7
145.04977	4.4
145.10149	7.7
147.11693	19.9
149.05997	2.9
149.09615	4.2
149.13284	9.4
151.11177	4.5
157.10060	4.5
157.12259	4.5
159.08015	3.8
159.11679	4.0
161.13232	8.8
163.11182	3.5
163.14825	8.2
165.12761	6.8
167.07057	7.6
171.11690	4.1
173.09608	2.7
173.13155	4.2
175.14789	3.7
177.16431	4.8
179.17961	9.8
181.73560	2.4
187.11174	2.9
203.17996	29.4
208.05115	2.8
209.24904	2.8
219.17462	3.5
221.18997	33.6
235.20424	2.7
239.20009	19.9
247.09622	3.0
311.09387	3.2
311.20047	2.9
329.21207	3.8
331.49176	2.4
339.08679	3.4
347.22076	11.2
365.23456	13.9
371.11194	9.9
383.24185	18.7
401.16669	4.7
401.25186	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	401.2536
Annotation	Pumilaside B
Peak:m/z	Relative Intensity
53.03948	5.8
55.01871	3.4
55.05517	28.5
57.03436	3.4
57.07089	8.7
59.05004	1.7
63.90075	1.2
65.03949	1.1
67.05173	1.9
67.05510	27.9
68.93868	1.5
69.03433	20.0
69.07072	54.1
70.06591	1.7
71.04991	9.8
71.08626	1.4
71.55871	1.6
73.02918	1.8
79.05491	9.9
81.03429	19.9
81.07062	62.8
83.04982	4.9
83.08624	31.4
85.02903	18.6
85.06551	7.2
89.06036	1.3
91.05485	8.6
93.07057	24.1
95.04955	2.7
95.08612	49.9
97.02902	19.8
97.06524	7.2
97.10175	28.4
99.04456	5.6
99.08089	3.3
103.03893	1.5
105.07042	25.0
107.08605	25.6
109.02879	8.0
109.06536	4.2
109.10163	100.0
111.04401	1.7
111.08092	8.1
111.11732	16.4
113.06025	2.0
117.07024	3.2
119.08592	16.1
121.06552	1.6
121.10151	29.3
123.04436	2.3
123.08099	3.4
123.10818	3.2
123.11714	62.7
124.00159	1.5
125.09631	7.0
125.13243	1.3
125.15889	1.4
127.03938	13.0
127.07556	3.5
127.11234	6.6
129.05432	1.8
129.07069	1.6
129.09132	3.0
131.08575	5.2
133.10121	13.5
135.08040	2.7
135.11703	10.0
137.05998	2.1
137.09618	2.0
137.13261	8.1
139.11194	22.3
143.08624	3.0
143.10677	4.6
145.04990	6.9
145.10129	4.0
147.08046	1.7
147.11693	27.2
149.09636	1.5
149.13251	12.7
151.11159	4.7
153.12770	5.1
155.08549	1.6
157.10167	2.6
157.12262	20.2
159.08081	2.4
159.11676	3.9
161.13254	11.7
163.11188	2.7
163.14836	10.6
165.12750	23.5
167.07018	3.8
169.12259	2.8
175.11185	2.5
175.14774	7.5
177.12787	2.8
177.16388	4.4
179.10464	1.5
179.17955	9.6
183.13802	8.8
185.13371	1.9
193.12282	2.1
201.16498	1.4
203.17958	35.5
203.19739	2.3
213.12822	1.5
217.10332	1.5
219.17471	6.5
221.19028	57.4
237.18523	7.7
239.20114	3.9
261.18567	1.5
263.20169	2.7
329.21069	3.9
347.22281	8.8
365.23306	23.5
383.14853	2.7
383.24347	14.1
401.16983	2.1
401.25375	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	401.2536
Annotation	Pumilaside B
Peak:m/z	Relative Intensity
52.39291	1.3
53.03942	5.6
55.01860	3.2
55.05514	27.6
57.03428	4.6
57.07082	10.8
59.04995	1.9
61.02921	2.3
66.78623	1.4
67.05180	2.0
67.05510	30.7
69.03431	18.3
69.07072	61.4
70.60300	1.5
70.60633	2.4
71.04996	11.6
71.08639	2.5
73.02908	1.7
79.05494	11.0
81.03427	20.0
81.06587	3.4
81.07061	68.8
83.04963	6.4
83.08155	2.0
83.08625	38.0
85.02917	17.7
85.06554	7.2
85.06979	1.5
86.09678	1.5
91.05486	10.4
93.07044	22.8
93.12328	1.5
95.04934	4.2
95.08613	55.3
97.02891	16.7
97.06512	6.0
97.10171	37.4
98.20895	1.7
99.04446	6.1
99.08071	5.1
105.07030	27.1
107.04932	3.0
107.08598	30.1
107.54987	1.4
109.02906	11.6
109.06542	6.8
109.10162	100.0
111.04417	1.8
111.08111	8.2
111.11726	17.4
113.05965	1.9
113.09615	2.6
115.07499	1.5
117.07017	3.5
119.08590	22.5
121.06496	3.1
121.10149	26.5
123.08109	2.2
123.11714	73.6
125.09643	10.3
127.03925	14.0
127.07564	1.6
127.11208	10.1
129.05492	2.2
129.06937	2.1
129.09119	3.6
130.91347	1.3
131.08548	4.1
133.10130	12.8
135.08072	2.5
135.11717	12.7
137.05963	2.3
137.09616	3.6
137.13213	6.6
139.11189	25.9
143.08582	2.7
143.10672	5.3
145.04991	8.0
145.10101	3.7
147.11707	29.5
149.07303	1.4
149.13272	20.8
151.11136	6.8
153.12744	5.2
157.10204	3.2
157.12257	23.2
159.11667	4.3
161.09662	2.2
161.13254	13.1
163.11180	4.5
163.14824	8.6
165.12772	21.8
167.07059	7.3
169.10085	1.6
169.12241	2.8
173.09503	1.6
173.13303	2.2
175.14816	8.3
177.12782	2.4
177.16373	4.4
179.17947	11.0
183.11877	1.8
183.13823	9.7
201.16437	3.2
203.17967	40.7
205.12102	1.5
205.19598	2.1
213.13002	1.7
215.18039	2.4
219.17444	10.5
221.19016	65.2
233.19090	2.4
235.13176	2.0
237.18477	15.7
239.20038	6.4
247.09731	1.7
249.18776	1.8
257.20987	1.7
261.18298	1.9
263.19992	3.2
265.08536	1.7
273.14987	1.5
275.19885	1.6
291.15897	1.5
301.16339	1.7
309.16705	2.5
315.08752	1.6
316.87076	1.5
329.21030	3.6
330.10986	3.3
331.11798	1.4
347.22021	10.2
351.12030	2.1
365.23239	23.2
383.14990	4.0
383.24396	16.8
401.16632	5.1
401.25290	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	401.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	15.6
57.03430	1.6
57.07070	1.0
59.04998	2.8
61.02942	2.0
67.05499	3.2
69.03085	1.6
69.03436	22.6
69.07066	2.6
70.06599	1.5
70.16575	1.5
70.16956	1.3
71.04998	1.3
72.08157	1.0
73.06557	2.3
79.05508	1.9
81.03404	3.8
81.07056	4.3
83.04987	25.2
83.08647	1.0
84.08134	2.8
85.02917	13.3
85.06541	2.1
86.09703	2.4
87.00816	1.1
91.05467	2.0
93.07035	3.6
95.04962	2.1
95.08616	10.4
97.02879	4.0
97.06524	3.4
98.20718	1.1
99.04493	1.6
100.07600	0.8
100.11285	1.1
101.05389	1.0
101.06026	14.7
105.01798	0.8
105.07024	2.1
107.04981	4.2
107.08601	2.1
109.02876	2.4
109.06532	34.2
109.10168	2.1
111.04435	1.2
111.08059	2.2
117.07037	0.9
119.08588	2.2
121.06492	1.9
121.10136	5.7
122.07269	4.3
127.03931	4.2
133.10126	2.6
135.08041	1.5
137.05920	1.2
137.09607	2.1
139.11188	100.0
143.08542	1.1
145.04958	2.0
147.08095	1.0
151.11142	1.8
152.01636	2.8
153.01964	2.5
154.08647	4.6
161.09639	1.3
167.07040	3.6
171.07681	1.1
177.09085	1.2
179.10693	20.8
181.04994	1.4
183.15874	0.9
203.14249	0.9
203.46487	0.9
209.11786	10.5
211.15199	2.0
221.08116	1.7
221.11743	14.3
221.15273	4.7
239.12819	11.0
239.16444	1.7
286.48233	0.8
306.11060	0.9
330.11118	2.2
357.24475	1.3
383.14810	1.6
401.16898	4.4
401.22903	1.5
426.22647	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	3.7
67.05512	7.7
69.03426	2.9
79.05496	4.5
81.07072	4.1
91.05474	6.2
93.07050	5.7
95.04983	6.7
97.06527	2.6
98.97586	3.0
102.12973	1.9
103.05489	2.1
105.07054	6.5
107.08577	2.7
119.08585	6.5
119.72761	2.1
121.06495	4.0
121.10152	3.1
123.08111	3.4
129.06924	2.6
131.04922	8.4
131.08566	5.7
134.99652	1.8
139.28635	1.8
141.07101	2.7
143.08586	12.6
145.10098	3.0
146.34955	2.2
154.07771	3.1
155.08488	4.6
156.09344	2.5
157.10133	6.0
159.08046	4.0
161.09602	3.7
165.06999	2.2
166.07787	3.0
167.08488	2.9
169.10133	23.7
170.10931	8.5
171.08098	4.9
171.11742	6.7
173.09628	3.0
179.08519	3.9
180.09279	2.5
181.10149	10.8
183.08095	7.4
183.11697	4.7
185.09703	3.0
187.11221	4.1
193.08592	2.1
193.10168	5.5
194.10957	3.2
195.08087	3.3
195.11671	6.2
197.09644	48.0
198.10400	3.5
199.11218	2.6
201.09097	2.3
205.10185	3.7
206.10896	5.4
207.11743	6.6
208.12544	6.8
209.09669	9.3
209.13335	5.1
211.11290	3.5
213.09225	2.2
215.10736	4.1
217.10216	7.1
218.10904	4.6
219.11743	9.0
220.12364	4.7
221.13277	5.5
222.13966	3.4
223.14890	8.7
225.08875	2.1
226.07864	2.0
226.09924	9.2
227.10645	12.3
229.10229	7.1
231.11719	4.5
232.12503	13.2
233.09601	2.5
233.13287	6.2
234.14032	5.1
235.11232	3.5
235.14856	3.7
236.11977	2.2
237.12646	2.6
237.16374	9.5
239.10822	2.3
243.11694	3.6
244.12471	6.6
245.09534	5.3
245.13493	2.9
247.11194	6.7
247.14879	15.7
249.12776	3.4
249.16516	5.1
250.13605	3.6
251.14409	2.9
258.14127	2.8
259.11169	3.5
259.14841	4.5
260.12051	9.8
261.12726	9.8
262.13458	4.2
263.10724	2.4
263.14380	4.9
265.15933	12.0
272.11850	2.7
275.11453	3.6
275.14276	21.8
276.15085	6.9
277.15872	8.2
285.12863	2.9
287.14276	5.3
288.11508	3.6
293.15494	6.1
295.17111	5.4
303.13818	6.8
305.15540	10.4
307.17001	4.5
317.15466	6.1
321.14865	100.0
321.87848	2.1
323.16479	4.7
325.14471	2.1
333.14963	3.8
335.16406	5.0
351.16037	5.6
355.19336	4.0
365.17615	10.3
383.18640	11.2
401.19681	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	401.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76991	0.8
53.03938	2.2
53.37119	0.8
55.01885	2.0
57.03434	3.5
58.29694	0.8
61.02919	3.3
67.05499	2.3
67.23991	0.7
69.03437	15.0
69.07072	0.9
70.06591	3.5
71.04996	1.8
71.54649	0.8
72.08156	3.3
73.02917	1.3
79.05488	3.3
80.66972	0.8
81.03423	6.9
81.07050	3.1
83.04980	3.1
84.08149	2.6
84.78449	0.9
85.02913	30.4
86.09701	5.7
87.00839	2.6
87.04469	2.3
91.03973	1.4
91.05477	4.4
93.07065	4.3
95.04974	3.4
95.08596	0.9
97.02905	9.1
97.06559	1.6
99.04472	3.8
105.01894	0.9
105.03418	2.1
105.07047	9.4
107.04957	2.7
107.08605	6.9
109.02898	6.3
109.06534	7.9
109.10152	2.6
111.04464	0.8
111.08092	2.1
114.10445	0.8
117.06972	1.0
119.04935	3.3
119.08612	6.6
120.08097	1.2
121.06499	2.0
121.10162	4.6
123.04436	2.5
123.08119	1.2
127.03926	10.9
131.08568	1.3
133.06499	5.5
133.10124	12.7
135.08081	5.3
137.05981	14.9
137.09604	2.8
139.03918	1.7
142.07758	1.7
143.08574	2.0
145.04980	4.8
145.10109	2.1
147.04424	4.6
147.11626	1.5
149.09656	2.5
151.07520	1.8
151.11179	1.8
153.05499	11.4
153.09081	2.4
154.08664	3.7
155.07069	2.0
157.10159	2.7
159.02913	2.1
159.07968	0.9
160.08815	1.1
161.09631	12.9
163.07574	1.5
163.11185	8.1
165.05495	22.1
165.09114	8.2
167.07030	3.3
167.10655	1.7
173.09795	0.8
175.11160	4.5
177.09097	4.1
178.02582	1.1
179.10684	13.5
181.04948	2.8
183.06589	1.3
191.10721	2.1
193.05016	2.1
193.12257	5.8
197.11745	5.4
199.18069	1.5
203.10677	10.0
205.08737	1.4
217.08669	1.2
221.11760	13.8
222.05110	1.2
223.13326	2.5
224.03185	2.2
227.17638	0.9
231.05020	1.3
239.05606	8.8
239.12799	100.0
240.13159	1.6
301.78833	0.8
315.08643	2.5
330.10995	2.3
357.14804	1.7
377.37100	1.0
383.14932	3.8
401.13345	3.1
401.18442	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	401.1599
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03943	2.6
55.05514	2.1
67.05505	2.4
69.03418	4.0
69.07034	1.8
69.72968	4.7
70.06612	1.5
72.08131	1.4
78.04703	1.3
79.05514	14.0
81.03419	2.0
81.07059	4.9
81.75797	1.4
83.04950	1.7
84.08102	1.3
85.02883	4.5
85.06538	1.6
86.03742	1.2
86.09699	2.4
91.05482	6.7
93.07046	5.5
95.04968	3.4
95.08601	1.9
97.02869	1.8
97.06500	1.5
103.05463	1.5
105.07020	3.9
107.04964	26.4
107.08591	5.7
109.06558	2.5
109.10188	1.8
111.07994	1.7
115.05420	2.4
116.06229	1.5
117.07018	3.3
119.08562	3.7
121.06486	2.5
121.10154	1.5
123.04427	5.3
124.05218	5.4
125.05990	2.9
125.33057	1.3
127.03932	2.1
128.06233	1.9
129.07034	4.3
131.08551	5.2
133.10129	2.4
135.11717	11.6
137.05942	3.1
141.06981	3.5
144.05707	3.0
145.06522	3.4
145.10208	1.8
147.08038	2.4
149.05922	2.8
151.07539	1.8
152.04689	3.0
153.05467	2.5
153.06839	1.3
156.05701	9.5
157.06544	3.2
159.08072	12.7
161.05972	3.2
161.09589	1.5
163.03915	3.3
163.07500	1.5
165.05513	1.3
165.06929	2.4
165.12769	1.8
167.07053	72.4
169.06459	2.2
170.07275	1.5
173.05998	4.1
174.06837	1.9
177.05478	2.3
179.07039	2.5
179.08559	1.9
181.04965	4.0
181.08597	2.1
183.06551	2.0
186.06790	2.3
187.07584	7.7
190.06203	2.6
191.07048	2.0
191.08653	1.8
193.06596	2.2
193.08556	2.9
195.06528	2.9
198.06662	1.6
202.06203	2.9
202.07883	2.3
203.08693	2.3
205.06696	2.4
205.08559	12.9
207.06480	4.4
208.05190	18.9
208.08665	1.7
210.06793	3.7
211.07590	1.9
215.06934	2.6
217.08601	27.6
218.07285	4.2
219.08055	8.3
219.10181	6.0
220.08743	2.6
221.05969	3.7
221.07898	2.9
221.09807	2.2
229.08586	5.1
231.08009	6.9
231.10098	2.9
232.08937	2.0
233.05930	3.1
233.09605	3.6
235.07491	1.9
236.04765	8.9
236.08339	3.0
237.09181	3.1
239.06975	2.5
239.16469	1.7
240.04176	2.8
245.09572	2.6
246.06773	2.6
247.07603	11.7
247.09631	12.5
248.08321	8.6
249.09166	4.4
251.06921	2.2
251.10759	2.3
254.05797	12.0
256.07666	1.5
260.08304	2.2
261.09167	4.1
262.09903	4.0
263.07004	4.1
263.10632	6.4
264.07870	6.4
265.08655	4.9
267.06528	4.5
268.03659	2.0
269.08148	25.4
271.05835	2.0
271.09631	5.4
272.06812	3.8
275.06967	4.9
276.07834	4.5
277.08615	5.3
279.10211	8.9
281.08185	2.7
282.05292	4.9
282.08832	13.9
283.06055	1.6
285.07526	2.0
287.09189	3.3
290.09335	5.1
291.10193	11.5
292.07278	3.8
293.08179	7.9
293.11047	1.5
294.05368	1.5
299.09152	3.4
300.06427	3.1
301.07016	1.9
305.08414	2.7
305.11664	2.5
307.06323	2.9
307.09653	11.6
308.10349	6.6
309.07758	2.2
309.11340	2.6
310.08310	6.0
311.12674	1.7
315.08630	86.1
316.08981	1.9
318.08862	1.6
319.09637	5.9
321.07571	3.5
321.11038	2.6
322.08182	1.5
322.12015	1.8
323.09265	2.3
323.12787	11.6
325.10669	2.6
328.09329	5.0
330.11002	100.0
331.11710	11.1
335.09387	2.4
336.09943	4.4
337.10794	6.4
339.12317	8.1
341.09888	1.6
343.11743	18.1
350.11475	1.5
351.08563	1.1
351.12311	27.8
352.13007	2.9
353.10284	7.0
356.12479	4.2
368.12592	6.6
369.13544	6.9
371.14792	5.2
383.14926	66.0
401.16190	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01875	3.1
65.03958	3.6
67.05497	4.3
69.03434	4.1
69.07085	2.6
70.81744	2.4
71.05032	2.0
71.12518	4.0
78.04753	2.1
79.05501	19.5
81.03432	4.3
81.07047	7.2
84.08136	5.9
85.02894	5.7
85.06521	2.2
91.05502	12.7
93.07043	6.7
95.04980	3.3
95.08608	4.3
97.02911	2.6
102.92788	1.9
105.07048	4.6
107.04964	36.3
107.05631	3.5
107.08566	4.7
109.02851	2.1
109.06554	4.3
109.10180	4.9
111.08089	3.1
111.92410	2.1
115.05454	3.6
116.06229	2.5
117.07015	5.2
119.08585	2.4
121.06498	4.6
123.04430	5.7
124.05205	5.5
125.05997	4.8
127.03921	4.0
128.06239	4.1
129.07025	9.6
131.08604	14.2
132.05756	2.4
133.06516	2.7
133.10135	2.5
135.04449	2.5
135.11720	3.0
137.06000	3.9
138.70641	2.1
139.07535	2.3
141.06996	7.8
144.05685	6.3
145.06490	5.6
145.10123	2.3
147.11626	2.4
151.07529	5.2
152.04681	3.6
153.05464	5.4
155.06065	2.6
156.05710	14.9
157.06471	3.2
158.07314	5.8
159.08073	18.9
161.06015	4.8
163.03949	4.9
167.07057	100.0
173.05943	3.6
177.05528	3.7
179.07135	3.4
181.05006	7.8
181.06468	2.6
181.08682	4.2
182.07346	2.3
183.06587	2.8
184.05247	5.6
185.05962	2.6
186.06798	5.8
187.07576	14.9
190.06236	3.4
191.06993	3.1
191.08589	5.6
195.06566	6.3
201.09160	2.8
202.06244	6.6
202.07887	2.7
204.07794	2.9
205.08601	18.3
207.06570	9.0
208.05194	24.1
217.08591	43.2
218.07315	5.3
219.08072	11.3
219.10246	8.4
220.08806	5.2
221.06120	3.1
223.11360	2.6
226.06268	2.1
229.08568	6.0
231.08072	8.6
231.10197	4.1
233.06149	3.4
233.09634	9.4
234.06723	2.8
235.07518	7.1
236.04741	9.0
236.08347	7.1
237.09174	3.3
238.06314	4.1
240.04222	3.1
241.08672	3.7
245.09615	2.8
246.06879	3.9
247.07533	13.4
247.09715	23.0
248.08411	14.5
249.05486	3.5
249.09111	4.8
251.10838	3.6
254.05780	11.3
255.06567	2.8
257.04218	3.0
259.07626	2.8
260.08383	4.4
261.09100	6.5
262.09845	3.7
263.06973	4.7
263.10632	11.7
264.07797	9.1
265.08600	7.1
267.06485	7.2
268.03619	2.8
269.08099	25.2
271.06030	2.6
271.09702	9.6
272.06799	5.1
275.07016	8.5
276.07877	6.6
277.08643	8.4
279.06882	3.2
279.10178	9.7
280.07709	2.5
280.10693	2.8
281.08160	5.6
282.05353	4.0
282.08926	10.8
284.06790	2.6
285.07504	4.9
287.09271	2.9
289.08539	3.7
290.09418	5.6
291.06912	4.0
291.10172	16.4
292.07297	6.3
292.10660	3.5
293.08075	15.0
294.08990	4.2
297.07526	2.4
299.09213	5.1
301.07144	4.9
305.08167	4.5
307.06363	3.3
307.09457	11.7
308.10464	7.9
309.11301	2.7
310.08353	6.2
311.12863	4.1
315.08627	95.3
319.09692	8.8
321.07553	6.4
321.11111	3.3
322.08386	3.0
323.09229	3.4
323.12784	18.8
325.10526	4.0
328.09415	7.3
330.11005	94.0
330.14908	5.1
331.11835	15.3
336.09982	5.2
337.10754	8.2
339.08673	4.8
339.12372	13.3
343.11752	22.8
350.11838	2.5
351.12317	31.2
352.12958	4.4
353.10178	8.3
356.12506	5.9
368.12363	10.0
369.13434	6.2
371.10962	2.5
371.14978	6.2
383.14948	81.8
401.16238	32.9
401.20911	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.2
51.02380	1.3
53.03710	0.3
53.03951	5.7
55.01871	0.6
55.05503	0.5
57.03417	0.3
63.47163	0.2
67.05513	0.4
68.99806	0.3
69.03425	0.6
69.07063	0.6
69.19124	2.3
70.10636	0.2
77.03926	1.5
79.05491	1.2
81.03433	1.4
81.07056	1.0
83.08633	0.3
85.02918	0.7
91.05482	1.0
93.07046	0.9
95.04973	7.1
95.05565	0.4
95.08595	0.8
97.02884	0.3
97.06536	0.6
98.20707	0.4
105.03400	100.0
105.04543	3.8
105.07042	0.9
106.03718	0.3
107.04943	1.2
107.08606	0.8
109.02876	0.3
109.06500	0.4
109.10178	0.6
111.04415	0.3
115.05450	0.5
117.07030	0.4
118.06517	0.3
118.70672	0.2
119.04954	0.2
119.08575	0.8
121.06477	0.3
121.10160	0.5
123.04441	1.1
123.08080	0.5
123.11680	0.2
124.05098	0.2
125.05998	0.3
127.03914	0.4
127.57531	0.2
129.06985	0.5
131.04921	0.3
131.08569	0.7
133.10121	0.7
135.11717	0.3
137.05971	0.6
144.05685	0.3
145.06512	0.2
145.10149	0.3
147.04414	0.4
147.11716	0.3
151.07533	0.5
151.11150	0.4
153.07010	0.3
156.05771	0.5
158.07341	0.3
159.08115	1.0
161.05997	0.5
161.13261	0.3
167.07079	3.5
173.06001	0.4
177.05470	0.3
181.08595	0.3
183.06551	0.5
185.05986	0.3
187.07549	0.7
205.08606	0.5
207.06464	1.3
208.05193	0.5
217.08664	0.9
219.08246	0.4
219.10214	0.3
221.18887	0.3
223.36086	0.2
231.06528	0.7
234.94926	0.3
235.07579	0.3
236.04796	0.3
247.07524	0.4
247.09789	0.5
248.08363	0.6
254.05643	0.4
264.07941	0.5
265.08829	0.4
269.08090	0.8
279.05087	1.0
282.08817	0.5
291.10266	0.3
293.08096	0.4
294.08896	0.3
295.09689	0.2
307.09714	0.5
311.09427	0.3
315.08630	2.8
319.09668	0.4
323.12973	0.5
330.11008	2.9
331.11841	0.5
337.10855	0.4
339.08514	0.3
339.12308	0.3
343.11911	0.5
351.12344	0.7
352.13089	0.3
369.13589	0.3
371.11328	0.5
383.14914	2.2
401.11996	0.5
401.16364	1.1
401.22720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.05484	2.1
56.58022	1.0
57.03419	2.1
59.04987	2.5
61.02908	1.5
69.03429	7.8
70.06584	3.7
71.04989	14.7
71.54613	1.2
72.08153	1.6
73.02934	1.3
81.03416	7.4
83.04980	2.5
84.04552	0.9
85.02904	14.5
87.00846	1.5
89.06030	100.0
97.02296	1.9
97.02895	33.0
98.97542	1.2
99.04450	6.5
103.03948	1.4
105.01860	1.4
105.07034	1.8
109.02882	11.0
111.04396	1.6
117.09106	1.0
120.08102	7.6
127.03917	15.0
131.04893	1.2
135.06526	29.4
145.04974	16.3
145.06041	2.0
152.07033	3.8
153.07399	2.0
163.06007	1.6
166.08694	1.9
167.07111	1.4
174.12791	7.8
177.05545	1.2
182.08177	1.5
183.08527	1.0
188.93353	1.0
192.13840	5.7
194.08113	2.4
195.08426	2.1
197.08109	1.5
212.09148	3.6
213.09499	3.7
215.09216	1.7
215.42122	0.9
220.13358	3.0
233.81148	1.0
238.14389	18.5
243.08624	2.8
244.11378	1.0
261.09708	13.7
271.07220	1.0
279.10767	5.0
358.08167	3.0
400.19916	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	400.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.01858	4.0
55.05507	5.2
56.96569	21.1
57.03434	3.8
58.06603	2.5
59.04991	1.7
60.95839	3.0
61.02913	5.7
63.90411	1.7
67.05494	2.8
69.03436	21.9
70.06599	23.3
70.42570	3.2
70.42981	3.6
72.08158	100.0
73.02899	6.6
73.06546	2.4
74.02432	1.7
79.05472	2.3
80.04993	2.4
81.03410	6.5
81.07056	6.5
82.06567	3.1
83.04980	2.5
83.08612	3.7
84.04505	6.3
84.08144	19.5
84.96014	4.4
85.02428	3.1
85.02905	39.4
85.07662	8.8
86.03240	3.1
86.06040	1.9
87.04488	9.2
88.03991	2.7
89.03920	3.9
89.06030	7.1
91.03951	2.2
91.05460	4.3
93.07066	1.9
95.04987	2.8
97.02905	21.3
97.06537	4.1
98.09695	13.5
98.97583	40.7
99.04461	5.9
99.97906	2.4
100.07609	3.8
102.05518	3.3
102.96860	2.4
103.03935	2.9
104.07105	9.1
105.03391	8.5
106.06554	4.4
108.08130	3.7
109.02861	5.5
109.06515	4.3
110.09681	42.0
110.97549	9.9
111.04431	3.0
112.11243	14.6
113.07125	4.4
115.12320	7.4
116.07104	4.1
116.98642	12.8
117.03381	3.3
119.01886	2.1
119.04936	3.1
123.04435	2.1
124.07603	2.6
124.99078	2.0
125.05954	3.0
127.03932	13.3
127.12322	5.7
128.98630	9.5
129.13885	2.9
130.04886	2.1
130.08635	3.3
134.04500	2.2
135.04724	5.1
135.06480	1.9
136.06194	24.2
136.07619	3.1
137.05969	3.9
138.09174	2.1
140.14323	4.1
143.00151	4.9
145.02866	8.0
145.04970	5.4
146.08110	2.4
146.99677	1.9
147.03233	2.0
147.04395	7.6
148.06047	4.2
149.05986	2.6
152.07129	5.3
152.14351	26.1
155.04620	6.5
156.14960	5.1
157.17015	26.8
158.99664	14.1
161.01207	4.3
163.03912	3.8
165.04276	2.3
166.08601	2.5
167.06956	2.6
170.99716	3.5
175.02823	2.4
177.00700	8.4
177.05458	13.7
178.08635	2.1
178.12247	2.8
179.00177	2.5
184.09648	5.5
185.01160	3.6
189.00723	2.4
190.04909	2.9
194.11775	11.4
197.01265	2.6
201.00687	3.5
203.02254	2.0
206.11705	3.4
214.07214	2.2
219.01775	16.6
221.04999	3.7
222.11218	7.4
224.12863	2.6
226.05984	2.1
226.22789	90.3
227.06810	2.2
228.56078	2.9
237.02826	16.0
238.03035	2.2
238.10864	2.5
241.00089	4.0
242.00555	2.9
251.09669	2.8
253.12840	2.2
254.13976	2.9
259.01138	5.7
260.01706	2.2
260.12857	3.7
261.02957	2.8
265.18964	1.9
268.10358	4.8
278.13843	3.6
279.03894	3.7
291.07385	2.8
293.14862	4.6
295.16519	2.9
296.14966	5.2
309.08441	4.8
311.15979	7.0
313.17572	4.1
319.07159	5.2
322.21170	5.8
342.10782	3.1
346.21304	7.8
354.13010	6.1
364.22256	7.5
371.13763	5.9
372.14169	20.7
382.23422	21.4
383.21765	5.2
400.12589	14.8
400.19824	3.9
400.24435	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	400.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.05497	0.3
56.96569	0.3
57.03439	1.9
59.05014	0.4
61.02930	0.6
67.05507	0.3
69.03434	3.6
70.06590	0.7
71.01353	0.6
71.04994	0.7
71.54964	0.4
72.08149	1.3
73.02921	1.5
79.05496	0.3
81.03405	0.9
81.07036	0.5
83.04982	0.3
85.02912	5.1
87.04441	0.7
87.71060	0.3
88.04003	0.3
89.03941	0.3
89.06039	2.1
91.05479	0.3
93.07056	0.4
94.04077	0.5
97.02903	4.3
97.06551	0.6
98.97581	0.9
99.04449	0.7
103.03931	0.7
109.02885	1.1
110.09705	0.6
110.97610	0.5
111.04448	0.4
115.03945	0.9
116.98643	0.4
119.03539	1.0
119.04955	0.4
120.08160	0.4
122.67420	0.3
127.03917	1.9
128.98611	0.3
133.04979	1.0
134.09686	0.5
135.04396	0.6
135.06543	0.8
136.06194	100.0
137.04585	0.6
137.05937	0.3
139.07407	0.3
143.21564	0.3
145.02864	0.4
145.04993	1.3
147.04431	0.5
152.14360	0.4
157.05029	0.4
157.08591	0.4
157.17047	0.4
158.99541	0.4
163.03931	1.0
163.06013	0.6
165.05479	0.3
177.05536	0.4
187.06093	0.3
197.08089	1.0
219.01804	0.6
226.22815	0.8
237.02914	0.9
268.10413	9.7
311.82419	0.3
400.14713	6.4
400.24561	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2895
Annotation	17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate
Peak:m/z	Relative Intensity
51.02369	0.5
53.03949	1.0
54.82399	0.2
55.01866	1.1
55.05510	2.0
56.96575	1.4
57.03421	0.3
57.07072	1.1
62.67318	0.3
64.68036	0.2
65.03951	0.8
67.05505	6.3
67.32265	0.3
69.03427	0.6
69.07075	2.5
71.04996	0.7
71.08627	0.4
75.85925	0.3
79.05495	14.9
81.03448	0.4
81.07059	72.4
83.04985	1.3
83.08630	1.7
85.06544	1.9
91.05484	8.0
93.07046	8.3
93.07631	0.4
95.04986	0.9
95.08609	11.4
95.09232	0.6
97.06530	1.0
97.10169	0.6
99.08109	0.3
101.05995	0.4
103.05469	1.6
103.42259	0.3
105.04540	0.3
105.07040	7.2
107.04996	0.3
107.07871	0.7
107.08599	12.9
109.06522	27.5
109.10152	6.3
111.08086	0.9
115.05492	0.5
117.07008	3.0
119.08582	13.0
121.06499	1.0
121.10149	8.3
123.08097	1.3
123.11717	6.8
125.09610	0.6
127.11232	0.5
128.06223	0.7
129.07011	1.1
131.04941	4.0
131.08588	4.4
133.06512	0.7
133.10133	8.9
135.08055	10.1
135.11697	4.5
137.06084	0.4
137.09660	1.1
137.13261	0.9
139.07559	0.7
141.06940	0.4
142.07819	0.9
143.08562	2.8
144.09344	0.4
145.10130	6.9
146.07333	0.3
147.08128	1.0
147.11688	5.0
149.09625	6.1
149.13240	1.8
151.07521	1.0
151.11203	1.1
151.61842	0.3
153.09087	0.5
155.07121	0.4
155.08565	0.8
156.09361	0.7
157.01674	0.6
157.10136	4.1
158.10870	0.5
159.08044	0.5
159.11708	6.8
160.30219	0.3
161.09601	2.1
161.13263	5.1
163.11127	1.6
163.14844	0.7
167.08511	0.4
169.10117	1.4
170.10950	0.4
171.11696	3.2
173.09732	0.4
173.13255	5.1
175.02812	1.0
175.11182	1.5
175.14818	3.7
177.09152	0.8
177.12775	0.8
177.16400	0.7
179.10713	2.0
179.14322	0.4
181.10159	0.4
183.11723	2.2
184.12384	0.5
185.09618	0.4
185.13261	3.2
187.11221	0.5
187.14825	3.9
189.11061	0.3
189.12700	0.7
189.16402	4.3
191.14319	1.0
191.18024	0.4
193.10188	0.4
193.12253	2.3
193.15878	0.5
195.11729	0.6
196.12531	0.3
197.13326	1.4
199.11157	0.4
199.14821	3.2
200.15663	0.3
201.12820	1.4
201.16383	2.0
203.10652	0.3
203.14374	1.0
203.17976	2.7
207.11775	0.6
207.17569	0.6
209.13252	1.0
211.14841	1.2
213.12767	0.4
213.16400	2.0
215.14305	0.8
215.17958	4.8
217.15935	0.9
217.19510	0.4
219.13873	0.3
223.02794	1.1
223.14830	0.7
225.16435	1.0
226.17212	0.3
227.14394	1.9
227.17938	2.3
228.18697	0.5
229.15950	0.3
229.19496	4.3
231.17485	0.6
231.21069	1.5
233.19017	1.0
234.59283	0.5
235.14941	0.3
237.16298	0.5
239.17984	0.7
241.03822	0.7
241.15955	0.6
243.21049	0.9
245.15393	0.8
245.19165	0.4
245.22574	1.4
247.20540	0.4
251.18045	0.4
253.19637	0.5
255.21158	1.7
257.19034	0.4
265.19772	0.3
269.19073	0.3
271.20605	0.5
273.22174	4.9
278.11697	0.3
289.21594	0.8
290.22211	0.4
291.23209	1.2
293.18997	0.4
293.22675	0.7
295.24054	0.4
307.20700	0.4
309.21896	0.4
311.23737	1.3
313.25113	0.4
319.24167	0.5
321.25827	0.7
329.24777	1.0
337.25256	2.4
339.26950	0.7
353.28500	0.5
355.26337	0.8
363.26816	4.1
369.28079	0.5
371.29523	0.4
381.27853	12.0
399.28949	100.0
400.29248	1.9
415.46310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2898
Annotation	17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate
Peak:m/z	Relative Intensity
53.03945	1.2
55.01884	0.8
55.05511	2.6
57.07072	1.2
60.14231	0.2
64.18009	0.3
65.03940	0.9
66.04711	0.4
67.05508	8.8
69.03430	0.9
69.07072	3.2
69.31357	1.1
69.31785	1.4
70.28363	0.2
71.05003	0.8
71.08627	0.5
72.68151	0.3
74.94788	0.3
79.05499	16.7
81.03429	0.6
81.07063	80.3
82.07379	0.3
83.04995	1.2
83.08627	1.8
85.06551	2.3
91.05486	9.5
93.07055	10.6
95.04985	1.1
95.08614	13.8
97.06540	1.0
97.10181	0.5
99.08134	0.3
103.05496	0.3
105.07039	13.0
107.04973	0.7
107.07988	0.3
107.08606	16.1
109.06526	30.2
109.10162	11.0
110.06858	0.4
111.04549	0.3
111.08121	0.9
115.05444	0.5
117.07025	3.2
119.08590	19.2
121.06512	1.1
121.10155	11.3
121.11037	0.6
123.08092	2.0
123.11713	5.3
125.09645	1.6
127.11102	0.5
128.06233	0.5
129.05475	0.4
129.07013	2.1
130.07790	0.5
131.08577	7.8
133.06502	1.1
133.10143	11.1
135.08063	12.0
135.11700	7.0
137.09659	1.8
137.13222	1.5
139.07524	0.6
139.37535	0.3
141.07033	0.5
142.07724	1.4
143.08571	3.5
144.09341	0.9
145.10129	8.1
147.08093	1.3
147.11697	7.3
147.12785	0.5
149.09627	12.0
149.13266	2.1
151.07524	0.7
151.11191	5.9
151.12355	0.5
151.91983	0.3
155.07190	0.3
155.08554	1.1
156.09381	0.6
157.10136	6.5
158.10881	0.4
159.08139	0.3
159.11699	9.6
160.12459	0.3
161.09637	3.7
161.13252	5.1
163.11209	1.9
163.14844	1.0
165.12788	0.5
167.08644	0.4
168.09349	0.6
169.10132	1.4
170.10962	0.6
171.11696	4.6
172.12466	0.4
173.09654	1.2
173.13271	7.4
173.14671	0.5
175.11226	2.5
175.14857	4.4
177.09149	0.8
177.12740	2.3
177.16484	1.1
179.08408	0.3
179.10677	2.3
179.14423	0.4
181.10165	0.6
183.11714	2.5
184.12399	0.5
185.13264	4.7
187.11273	0.6
187.14833	4.5
187.26022	0.3
189.12802	1.0
189.16389	10.1
191.10744	0.5
191.18040	0.9
193.12256	4.9
193.15892	0.5
194.11031	0.3
195.11729	1.2
197.13274	2.5
199.11252	0.5
199.14821	4.1
200.15581	0.8
201.12914	1.4
201.16385	3.9
203.14311	1.6
203.17964	2.2
205.15900	0.4
207.11644	0.4
209.13324	1.2
211.14803	1.5
213.12831	0.5
213.16359	2.5
215.14375	1.3
215.17947	6.0
217.15964	0.8
217.19508	0.6
219.13853	0.5
221.13297	0.4
223.14850	0.6
225.12802	0.3
225.16455	1.1
227.14392	2.9
227.17940	3.1
228.18724	0.4
229.15968	0.9
229.19540	5.8
231.17513	0.4
231.21075	1.7
235.15044	0.4
237.16479	0.4
239.17982	0.9
241.15891	1.0
241.19595	0.6
243.17392	0.4
243.21007	1.4
245.15356	0.7
245.19112	0.4
245.22610	0.8
249.16382	0.4
251.18028	0.6
253.15887	0.5
253.19495	0.3
255.17297	0.4
255.21136	2.1
257.19113	1.0
259.17108	0.6
261.16464	0.5
263.17908	0.6
265.19522	0.5
267.17319	0.6
271.20740	1.4
272.21442	0.7
273.22125	4.7
279.21027	0.5
285.18530	0.3
289.21652	1.2
290.22375	0.5
293.19232	0.7
293.22650	0.9
295.24103	0.5
307.20697	0.3
311.23434	1.4
313.25299	0.5
319.24255	0.8
321.25763	0.7
323.23578	0.4
329.24780	1.1
333.22247	0.4
337.25381	2.8
339.26855	0.5
345.25919	0.4
353.28467	0.7
355.26361	0.5
363.26852	4.9
369.27780	0.5
381.27893	28.1
382.28323	0.8
399.28964	100.0
400.29221	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.3
71.00816	1.6
79.05468	1.2
85.02874	1.0
85.33112	0.7
94.06555	1.4
96.08127	1.0
99.34376	0.7
103.05450	1.4
106.06536	0.9
110.05999	2.0
120.04453	1.2
122.06032	4.0
124.07612	1.6
126.05470	1.2
131.04910	2.4
137.04721	1.4
138.05496	3.9
140.95447	0.6
151.06296	1.1
152.07071	83.5
153.07881	0.7
154.08571	1.6
156.06668	0.8
163.07532	2.0
164.07068	1.5
166.08644	22.3
167.05731	0.9
174.07851	0.7
175.08655	0.9
182.08133	43.0
184.07574	1.3
194.08133	98.7
198.07552	1.5
198.09172	2.7
199.08757	1.2
200.09215	7.9
201.10229	1.7
202.08766	0.8
210.07518	0.8
212.09184	100.0
215.11815	4.9
225.10271	0.8
226.08731	1.4
227.08127	1.3
229.09766	3.3
243.11334	8.0
253.09674	1.6
254.08113	0.9
257.09274	2.8
271.10794	18.9
273.12347	1.2
281.09265	0.9
299.10330	3.8
317.11349	8.3
320.14890	0.9
331.12827	1.8
335.12466	3.0
349.13846	1.6
363.15515	15.0
381.16507	3.9
399.10587	1.4
399.17496	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	399.2893
Annotation	Strongylophorin 23
Peak:m/z	Relative Intensity
55.05499	12.2
67.05495	14.7
69.03432	5.5
69.07054	19.2
70.59619	14.7
79.05485	16.4
81.07059	33.9
83.08602	7.5
91.05468	21.9
93.07056	33.9
95.04955	6.5
95.08616	35.1
97.06547	6.5
105.07031	46.5
107.08604	40.2
109.06506	8.5
109.10148	24.2
117.06975	8.2
119.08596	37.1
121.10154	30.5
123.11707	27.5
129.07050	10.7
131.08548	21.0
133.10135	24.7
135.08000	8.8
135.11676	20.8
137.13283	8.7
142.07693	6.0
143.08527	10.3
145.10146	28.9
147.11691	26.2
149.13235	12.7
155.08617	7.1
157.10100	17.8
159.11697	17.3
161.09662	7.3
161.13257	17.4
163.14809	10.3
169.10025	7.5
171.11688	12.0
173.13312	15.8
175.14827	9.3
177.16319	7.5
183.11716	6.3
185.13147	8.8
187.14781	12.8
189.16373	16.3
191.10605	6.8
197.13274	7.7
199.14835	8.5
201.16418	29.8
211.14699	6.7
217.19534	12.5
227.17857	6.9
229.19638	7.0
237.16226	6.7
255.21031	6.8
265.19266	5.6
295.24249	19.4
310.74719	4.7
313.25418	41.4
335.27298	6.5
339.23285	9.9
363.26822	44.4
381.27853	100.0
399.15826	17.8
399.28833	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01866	1.0
57.03424	1.1
61.02913	0.8
67.05491	0.8
68.93175	0.6
69.03407	2.3
70.06582	1.2
71.54683	0.9
79.05464	0.8
81.03399	1.4
81.07044	1.5
83.04993	0.8
84.08138	0.9
85.02907	5.2
91.05479	1.1
93.07037	1.4
95.04939	1.0
95.08607	1.4
96.08151	0.7
97.02891	1.5
97.06528	0.8
99.04464	0.9
101.06040	0.8
103.05460	1.8
107.08569	1.0
109.02875	0.8
110.06080	1.0
111.04432	1.1
115.03931	1.6
116.04256	0.8
119.08551	2.8
120.08952	1.7
122.06058	1.1
124.07559	1.4
125.06021	0.7
127.03911	1.8
131.04916	4.0
134.76297	0.7
136.07492	0.8
137.04698	1.9
137.09555	0.9
138.09918	1.2
145.04991	1.7
146.06007	1.8
151.06314	1.4
151.07465	0.8
152.01604	1.1
152.07076	79.3
153.05463	1.1
163.07516	2.9
164.07062	1.4
166.08629	14.6
168.06549	1.8
171.07642	1.1
173.09332	0.8
182.08148	4.9
186.07684	1.0
187.12349	0.9
188.07062	2.0
194.08133	96.3
198.09137	1.3
200.09315	1.1
201.11314	1.8
202.11505	4.4
205.09850	0.9
207.10185	0.7
212.09184	100.0
214.10725	1.0
215.11801	3.1
220.12534	0.9
226.08701	1.5
227.08134	1.9
229.09692	1.3
237.18358	0.6
243.11320	4.0
247.08089	0.6
257.09103	1.5
271.10800	10.9
291.94470	0.8
299.10272	2.6
317.11319	3.0
335.12375	4.9
349.14008	2.8
399.16245	2.7
399.21597	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01877	0.9
57.03440	9.2
59.04984	0.8
61.02924	3.5
69.03430	13.2
70.06600	1.3
70.82937	1.6
71.04990	1.7
71.64011	0.6
73.02911	2.2
75.04449	1.2
81.03423	6.7
83.04951	1.1
85.02908	29.6
87.04467	2.3
91.03960	0.9
91.05487	1.4
97.02902	9.3
99.04468	4.1
103.03957	3.0
103.05472	45.5
105.07003	0.9
107.05003	0.7
109.02889	5.0
111.04445	0.9
115.03977	1.3
117.05524	1.3
127.03924	8.4
129.05504	1.2
130.04155	1.9
131.04933	100.0
132.05325	0.9
133.06505	1.6
136.83258	0.7
139.29544	0.7
145.04951	4.7
147.07942	1.0
148.05186	10.7
152.07065	6.0
161.05994	3.9
162.06763	1.2
163.07552	53.9
166.08652	1.7
175.07498	0.9
182.08119	1.4
194.08156	5.5
201.07466	1.0
201.09094	1.9
212.09203	7.3
219.08336	0.8
219.10216	1.9
219.13785	1.8
237.11177	3.6
243.11282	0.9
271.10675	1.2
399.10538	58.7
399.15637	2.1
400.10638	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59158	0.6
56.96564	2.1
57.03436	1.0
57.07074	0.7
62.06090	1.4
69.03423	2.6
69.07079	0.7
70.06566	0.9
71.04970	1.4
71.54388	1.0
73.02895	1.1
81.03413	1.5
81.07047	1.0
85.02917	6.6
86.03217	1.2
87.04465	1.2
91.05513	0.8
97.02882	5.2
97.06538	0.9
98.97569	6.1
99.04459	1.4
101.06018	1.2
102.05583	1.2
103.03937	1.5
109.02890	1.2
110.97583	1.5
111.04411	0.8
116.07101	0.8
116.98603	1.4
119.04932	1.1
127.00657	0.7
127.03915	3.0
128.04216	1.2
129.05513	0.8
136.06184	6.6
137.05991	1.6
138.05428	0.8
143.00217	0.9
144.70160	0.6
145.04973	2.6
146.05267	0.8
147.04433	1.2
158.99652	1.9
161.05856	0.7
163.05959	0.8
177.05458	0.8
179.07033	1.0
201.00780	0.7
207.06416	0.7
217.05542	0.7
219.01772	2.6
231.05249	0.8
237.02815	2.8
250.09409	3.0
259.01245	0.9
263.84784	0.8
347.09906	0.9
353.13016	1.2
371.13773	2.9
399.12628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01852	3.9
56.05023	3.3
56.96565	23.7
57.03437	7.7
58.99856	2.1
60.04469	1.0
60.95829	2.0
61.02929	13.1
64.83459	1.2
69.03087	2.4
69.03432	32.8
69.07037	1.6
70.03767	1.3
70.06580	3.1
71.04964	4.2
71.55401	1.7
71.95267	1.1
72.36253	1.2
73.02914	7.4
73.06537	1.6
74.02425	2.2
74.06087	1.8
77.00900	1.4
79.05483	1.6
81.03413	11.8
81.07047	1.8
81.28181	1.2
82.06568	2.0
82.99835	3.3
83.01312	1.8
83.04989	1.7
84.04471	1.3
84.08098	1.5
84.96027	3.0
85.02907	66.8
86.03224	3.8
86.09702	7.5
86.99326	1.4
87.04484	6.4
87.10025	4.0
89.00853	1.6
91.03940	4.8
91.05453	2.6
94.89706	1.2
94.99863	1.1
95.04974	1.8
97.02896	52.7
97.06507	3.9
98.03200	2.9
98.97588	43.6
99.04452	5.9
100.07625	7.4
101.00884	24.0
101.07944	1.8
102.05571	6.7
102.96877	12.7
105.00331	2.8
105.03365	5.5
109.01438	1.1
109.02890	9.3
110.07173	1.9
110.97578	10.0
111.04408	4.2
112.99141	2.7
113.00849	8.7
115.02419	5.1
116.97957	1.2
116.98638	14.6
117.04008	1.5
118.01141	1.5
119.01919	35.3
119.04900	3.0
119.12095	1.2
120.97884	5.3
122.07124	4.9
123.04465	2.0
124.99062	2.4
125.05975	3.6
127.02405	8.3
127.03921	18.5
128.04239	2.5
128.98605	10.8
131.00160	2.7
131.01901	19.0
132.10237	7.1
133.03473	3.4
133.10519	3.0
134.04509	1.2
134.99657	1.8
135.04323	1.9
136.06194	22.1
137.00810	4.7
137.02924	2.3
137.05960	4.5
138.03474	1.2
138.05452	5.1
139.02371	3.6
141.03929	4.2
143.00200	6.6
143.01920	13.9
143.06909	1.3
145.01704	2.0
145.03424	50.5
145.04909	12.9
146.05266	1.4
146.08078	2.0
146.99586	5.0
147.01286	3.9
147.03181	2.6
147.04399	7.1
149.01161	2.2
151.06007	1.3
153.03992	3.7
155.00610	2.2
155.01894	42.1
155.04504	2.3
155.54744	1.9
156.02640	5.4
157.03458	14.5
158.99658	17.9
159.03947	1.5
159.05049	15.2
159.99913	1.2
160.99092	2.0
161.01343	5.8
161.02943	13.9
161.08089	3.2
162.98990	6.3
163.04567	14.5
164.07080	7.9
165.04039	1.8
167.01904	4.9
168.05247	1.6
169.01961	2.1
169.03441	15.8
170.99709	6.6
171.05029	14.5
173.01404	2.2
173.02968	40.3
173.05336	2.6
174.04547	5.8
175.02661	1.3
175.04515	2.3
176.03220	1.2
177.00687	11.4
177.02280	2.4
179.00087	4.1
179.02171	2.9
180.99994	3.4
182.06111	1.2
183.05031	12.0
183.54941	1.5
184.00369	1.6
185.01169	4.6
185.02937	18.5
185.06593	4.9
187.04523	53.6
187.06224	3.0
189.00748	7.9
189.05984	3.3
191.03871	2.8
191.06676	1.6
193.03510	3.4
195.05058	8.1
197.01201	9.2
197.02914	2.8
199.04492	5.5
201.00664	3.4
201.04398	2.0
201.06070	10.5
203.02223	5.0
203.03961	25.1
205.03444	7.3
205.05476	4.1
207.01678	1.5
209.03011	2.2
210.06030	1.7
211.04597	8.9
213.00638	2.4
213.06136	9.5
215.02202	1.6
217.03644	2.5
217.05566	4.4
219.01775	20.8
219.05013	2.8
219.07272	1.8
221.03253	3.0
221.05060	48.2
222.99036	2.1
223.01050	2.4
223.04517	22.7
225.00688	1.7
225.06049	3.3
227.06725	2.9
227.56827	1.4
228.05630	3.9
229.05574	9.3
231.01550	2.0
231.07086	2.0
235.04558	19.9
236.05292	2.2
237.02750	16.3
237.04921	1.8
237.06235	2.1
237.08450	6.0
239.06067	1.6
241.00224	16.2
241.05524	4.5
243.07141	52.2
244.04300	6.1
245.04996	7.8
245.56947	1.6
246.05695	1.4
247.04462	4.5
249.02747	3.5
249.05901	1.3
250.06689	1.6
250.09335	21.1
253.05675	12.4
254.05775	2.0
254.08168	13.2
259.01227	12.5
259.06812	2.6
261.02640	6.1
261.08215	100.0
262.57266	2.1
263.08759	6.3
265.05447	3.8
265.57736	1.6
266.05408	2.5
266.07974	1.4
266.55502	1.4
271.06622	42.1
273.08301	2.6
279.03970	8.7
284.09650	3.2
289.07715	24.8
291.03912	2.1
295.06763	2.5
297.04657	1.3
298.09708	4.2
303.05539	1.4
305.05490	1.3
307.08920	7.3
309.09711	3.4
312.09155	1.6
313.07758	25.3
323.06558	1.8
331.08734	2.4
336.06546	1.4
339.03854	1.8
339.09238	2.8
341.07059	3.4
348.06863	5.2
353.11142	17.4
357.04886	3.1
363.11084	4.5
363.15369	1.3
371.13834	56.8
376.14200	5.4
381.10297	44.3
389.14587	1.8
394.15289	4.1
399.11472	96.8
409.10159	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	399.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.5
56.96564	13.4
57.52796	5.6
57.63276	6.2
69.03422	19.1
69.32922	38.0
69.33337	13.6
72.65712	7.3
85.02924	37.7
97.02894	28.0
98.97590	100.0
100.07632	10.4
110.97566	32.2
116.98618	22.7
120.04356	5.9
127.03920	7.5
128.98605	17.8
131.00217	8.2
136.06184	19.0
146.08005	8.4
146.99561	9.1
147.03206	6.1
149.96924	6.4
156.03603	8.7
158.99660	99.1
170.99628	26.8
177.00774	40.4
189.00726	22.9
190.42438	5.8
201.00664	10.5
207.01759	8.4
219.01787	54.8
228.05690	30.2
231.01770	8.4
232.84570	6.4
237.02727	15.3
237.06337	7.9
249.02872	24.0
250.09396	17.6
279.03967	68.7
309.05035	7.5
311.06509	7.1
399.06873	23.3
399.11157	26.2
411.39828	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	398.9765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84927	0.4
56.96573	6.4
67.89876	0.3
69.38140	2.9
71.95262	1.9
73.58612	0.3
90.29699	0.3
98.21446	0.8
98.97592	86.3
116.98631	33.8
130.93373	0.8
134.99667	6.3
140.00194	0.5
142.73015	0.3
143.55431	0.3
153.00665	0.4
172.94366	4.6
190.95360	2.3
197.01292	0.5
208.96454	0.4
214.95419	3.6
232.94339	0.7
232.96494	6.0
241.00394	0.4
241.94124	0.5
250.97507	2.4
256.96460	20.0
258.99661	2.7
261.03052	0.5
274.97525	100.0
275.97891	0.6
277.00870	2.6
283.00137	0.5
292.98584	43.7
297.99234	1.9
316.00137	0.9
316.98917	0.7
353.12701	1.4
371.13663	2.7
394.15469	0.4
398.97549	1.9
416.98798	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	398.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.9
57.07088	0.4
61.83452	0.3
62.06075	0.7
67.05493	0.8
69.07066	1.9
70.06596	0.6
70.79391	1.0
71.08630	4.9
71.19363	0.3
72.08156	0.9
79.05482	1.1
81.07079	2.0
83.05001	0.4
84.08155	0.7
86.06067	3.6
91.05485	0.5
91.14674	0.3
91.20787	0.3
93.07032	1.1
95.08603	1.2
96.08113	2.0
97.06518	0.7
97.10175	1.1
97.81870	0.4
98.06052	1.0
98.09722	2.1
99.08092	2.3
107.08572	0.4
108.08098	0.8
109.39800	0.4
110.09654	0.5
112.81335	0.4
113.08369	0.4
114.09111	0.3
116.10735	13.9
121.10119	1.9
122.09647	1.5
126.09177	0.5
134.09663	0.4
136.11224	0.6
139.11102	0.5
140.10727	0.7
143.10669	1.3
154.15926	2.6
164.14284	0.4
166.15927	2.2
167.10756	0.4
168.17439	0.8
178.15919	1.3
179.92773	0.4
196.16968	7.6
210.14809	0.8
211.13264	1.0
214.18024	100.0
215.18355	0.8
228.15898	1.3
229.14314	2.0
256.26352	0.6
271.24631	0.3
282.20654	3.5
300.21692	4.1
318.30075	0.6
380.27914	1.6
398.24106	20.5
398.29019	6.5
399.24490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01886	2.1
55.05511	4.9
57.03425	3.1
59.05011	2.1
60.55133	1.9
62.16495	1.8
67.05492	7.8
69.03415	7.9
69.07048	1.8
69.08717	1.7
70.59893	5.2
71.05000	4.0
71.77538	1.7
79.05473	1.9
81.03413	5.7
81.07051	2.2
85.02908	26.1
91.05506	13.3
93.07037	9.6
95.08609	29.0
97.02882	8.0
99.04466	10.1
101.02371	4.6
101.06052	9.0
103.03954	16.4
105.01884	2.3
105.06973	1.9
109.02859	5.3
109.10169	15.6
115.07580	1.8
119.08588	49.5
123.08047	4.9
127.03932	27.0
133.08624	11.5
137.09625	63.6
145.04982	15.4
147.08029	7.0
147.11719	2.4
155.10660	13.4
159.10068	1.8
163.06021	9.9
165.09123	25.5
183.10173	35.2
187.06099	2.0
201.11223	100.0
204.12360	1.8
219.12262	31.5
280.91776	2.0
289.09149	4.8
307.10214	7.9
409.16815	2.9
412.37473	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	398.269
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
53.03937	0.9
55.05508	1.2
57.03426	0.5
57.07071	1.4
60.04031	0.5
60.04821	0.5
62.24132	0.5
67.05523	2.8
68.05039	4.0
69.03422	0.7
69.07072	1.2
69.37563	5.3
70.06252	0.9
70.06600	13.2
72.12914	0.5
79.05505	4.4
81.05774	0.7
81.07066	6.0
83.04989	0.7
83.08599	0.9
84.08150	0.7
85.06511	0.7
91.05478	6.5
93.07042	8.5
94.06573	2.3
95.04971	2.3
95.08601	3.9
96.08122	3.0
100.07610	4.6
103.05441	0.6
105.07030	11.3
107.08598	7.6
108.08141	1.7
109.10155	1.9
114.05521	3.8
115.05495	0.7
116.07085	5.7
117.07015	2.9
119.08586	13.0
120.08116	3.4
121.06552	0.6
121.10164	4.3
122.09663	2.2
123.11849	0.8
128.07083	5.1
129.07013	1.4
130.07779	1.5
131.08563	7.2
132.08058	0.7
133.08952	1.5
133.10135	6.0
134.09651	1.3
135.08044	2.3
135.11655	1.0
136.11201	2.0
141.06979	0.9
142.07799	1.8
143.08565	4.0
144.09286	0.9
145.10146	8.7
146.09682	0.6
147.08070	0.7
147.10609	0.6
147.11707	3.1
148.11218	4.9
149.09593	0.8
149.11972	1.2
151.06223	1.3
151.07495	0.7
153.09166	0.6
154.08644	1.3
155.08554	2.0
156.09367	1.5
157.10127	4.2
158.09636	0.6
158.10907	0.9
159.11673	2.8
160.11205	1.3
162.12808	1.0
164.07043	0.6
166.08690	1.0
167.08665	1.6
168.08899	0.9
168.10228	18.1
169.10164	2.4
170.10867	0.7
171.11684	2.2
173.13235	4.2
175.14812	2.9
178.08612	4.5
181.10150	0.7
183.11674	2.1
184.12514	0.8
185.13245	1.5
187.14925	1.3
191.14279	3.4
192.10254	2.7
193.10196	0.7
194.11813	11.4
195.11749	1.3
197.13298	1.7
199.14827	1.7
204.10307	0.7
206.11824	1.2
209.13289	2.6
211.14841	1.4
223.14911	1.0
225.16441	0.9
227.14406	0.6
230.11685	0.8
234.14954	1.2
235.14784	1.3
239.17889	0.7
244.13364	1.2
253.15979	0.9
260.16406	2.9
265.19461	1.4
275.59546	0.6
281.83054	0.6
306.20721	2.7
380.25867	6.3
398.26929	100.0
399.10620	0.9
399.27252	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
69.03426	13.0
69.55755	13.7
71.04987	3.5
81.03432	14.2
85.02914	71.1
86.92591	1.8
88.61340	2.4
97.02915	17.1
98.11044	2.1
99.04453	41.7
103.03949	100.0
109.02894	12.2
124.71518	2.0
127.03921	93.7
145.04968	70.5
147.48738	1.9
163.06024	51.1
187.06047	5.6
205.07022	4.1
239.32166	2.6
271.08069	6.1
289.09140	5.3
307.10263	15.0
350.06277	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	398.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
54.51180	1.9
57.03423	2.0
63.78657	1.8
67.80244	1.6
69.03436	11.1
69.07055	6.6
69.10422	1.6
70.60316	5.7
71.04991	5.4
79.00982	1.6
81.03414	11.8
84.55337	1.8
85.02908	73.4
87.08099	4.3
93.07030	1.9
97.02894	25.1
99.04457	32.2
99.05035	3.4
103.03946	80.2
109.02880	11.4
110.53165	1.9
115.07572	7.6
122.54903	1.9
127.03923	100.0
133.10168	2.4
145.04956	66.8
162.04074	2.2
163.04739	2.3
163.06026	51.5
187.06007	3.7
205.07187	3.4
271.08093	5.8
276.24832	1.8
277.12784	2.6
289.09201	6.7
307.10144	11.4
363.16473	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01857	2.6
55.05521	1.7
57.03431	6.2
59.04995	3.5
61.02929	10.0
64.12087	1.6
67.05505	2.1
69.03435	27.0
69.07061	1.9
69.64619	3.7
69.65043	6.1
71.04985	5.1
73.02919	12.7
79.05524	1.5
81.03417	18.9
85.02912	100.0
87.04469	24.9
91.03977	8.6
91.04469	1.5
91.05461	2.4
93.07037	3.2
95.08573	3.4
97.02902	33.0
97.06523	3.1
98.21473	3.5
99.04471	9.2
101.02360	2.2
101.06015	5.1
103.03922	3.4
109.02894	14.8
115.03938	84.6
119.08586	6.8
127.03922	56.5
133.04974	39.2
133.08585	8.8
137.09650	9.1
145.04965	73.5
147.04440	2.1
163.06027	14.3
165.09169	3.5
174.46854	1.6
183.10146	2.6
187.06064	2.0
201.11252	21.4
219.12280	3.9
241.07101	2.5
259.08145	22.5
264.75415	2.1
277.09192	23.7
284.72504	1.8
311.76337	1.7
398.14572	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	398.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86769	1.2
52.31981	1.2
53.03940	5.8
57.03426	2.1
61.02911	4.3
62.98172	1.2
69.03423	14.6
70.36810	2.8
70.37206	2.2
71.04994	4.2
73.02913	3.5
81.03412	13.5
85.02907	62.7
87.04474	2.4
91.03975	1.1
97.02287	2.3
97.02893	35.1
97.66299	1.1
98.21233	2.3
99.03842	2.7
99.04456	38.6
103.03942	67.7
109.02882	17.2
115.03931	2.0
127.03917	100.0
145.04962	64.3
145.06152	1.7
160.35971	1.2
163.06021	41.7
169.05005	1.5
182.08209	1.2
183.10291	1.4
187.06003	4.4
199.05956	1.5
232.55928	1.3
253.07048	2.1
271.08090	11.3
289.09146	12.8
307.10233	7.5
345.11777	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	397.2738
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
53.03939	1.6
53.53897	0.3
54.37188	0.3
55.01871	0.9
55.05516	2.1
55.95573	0.3
57.07073	0.9
59.05002	0.3
64.93365	0.3
65.03941	1.1
67.05510	8.0
68.30751	0.3
69.03423	0.6
69.07069	2.9
69.30632	0.6
69.31055	1.9
71.04990	0.9
76.86108	0.3
77.03917	0.3
79.05495	20.4
81.07059	100.0
82.07383	0.4
83.04981	1.3
83.08637	1.9
85.06544	1.2
91.05484	9.3
93.07052	8.3
95.04980	0.9
95.08610	8.3
97.06527	0.9
97.10179	0.7
99.08105	1.0
103.05457	0.3
105.04500	0.3
105.07032	8.2
107.08601	11.1
109.06521	43.2
109.10159	5.7
111.08099	1.3
111.11753	0.4
115.05450	0.5
117.07021	2.7
119.08582	10.1
121.06519	1.0
121.10140	6.6
123.08083	3.8
123.11709	2.9
125.09652	1.1
127.11163	0.4
128.06180	0.6
128.45311	0.3
129.06122	0.3
129.07011	1.3
130.07799	0.3
131.08568	4.3
133.10132	8.7
135.08057	9.4
135.11691	3.5
137.09659	1.2
137.13252	0.4
139.11223	0.3
142.07811	1.0
143.08565	3.3
144.09366	0.6
145.09035	0.6
145.10132	8.0
147.08060	0.8
147.11691	5.3
149.09630	4.5
149.13251	1.6
151.07526	0.6
151.11232	1.8
155.07056	0.7
155.08568	1.1
156.09370	0.9
157.10144	5.5
158.10928	0.6
159.08055	0.4
159.11697	8.7
161.09651	2.5
161.13271	3.1
163.11189	2.7
163.14862	0.7
165.12769	1.1
167.08543	0.6
169.10146	1.3
170.10948	0.5
171.11684	4.6
172.12413	0.4
173.09671	0.5
173.13280	5.0
175.11214	1.9
175.14879	1.3
177.09142	0.5
177.12770	2.0
177.16388	0.4
179.08527	0.3
179.10652	1.7
179.14229	0.4
181.10165	0.7
182.10857	0.6
182.91199	0.3
183.11697	2.6
184.12572	0.3
185.13257	4.6
187.11191	0.9
187.14832	5.5
189.12752	2.3
189.16428	0.8
191.10632	0.3
191.14310	1.8
192.63460	0.3
193.12283	1.0
195.11760	0.8
196.12514	0.3
197.13278	2.5
198.13910	0.3
199.14813	2.5
201.12756	2.9
201.14345	0.3
201.14679	0.3
201.16342	1.9
203.14310	4.2
203.17984	0.7
205.15808	2.2
206.13161	0.3
207.11688	0.4
209.13319	1.2
211.14772	1.8
213.12971	0.5
213.16451	3.0
215.14343	2.8
215.17889	0.6
216.15219	0.3
217.15926	1.0
219.13832	0.3
219.17500	0.6
221.13388	0.4
221.15392	0.4
223.14879	0.9
225.16449	1.1
227.14351	1.8
227.17937	2.3
229.15930	1.0
229.19536	2.9
231.17424	2.4
235.14767	0.4
236.08978	0.3
237.16434	0.5
239.17915	0.5
241.15958	0.8
243.17455	1.4
243.21107	0.9
245.15443	0.3
245.19037	3.4
247.20575	0.7
249.16418	0.4
251.18088	0.5
253.19455	1.6
255.17487	0.7
255.21069	0.7
257.19089	0.6
259.20621	1.6
261.22162	0.5
263.18042	0.4
265.19601	0.4
267.17456	0.4
269.18912	0.6
271.20590	5.7
287.19919	0.5
289.21634	10.9
291.20996	0.4
309.22195	1.2
311.23743	0.8
321.22171	0.4
327.23236	1.0
335.23779	1.5
337.25204	2.7
351.27161	0.7
353.24704	2.3
355.26364	1.1
361.25296	1.2
367.26416	1.0
369.27979	0.6
379.26324	9.1
379.33386	1.3
397.27383	89.5
398.27942	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.1
69.03413	16.2
71.04998	8.8
73.02944	3.3
73.06545	15.8
81.03423	19.5
83.22974	3.5
85.02429	6.1
85.02911	79.0
91.89664	3.1
93.37464	3.4
97.02898	32.0
99.04472	41.3
101.06026	4.4
103.03308	6.3
103.03946	89.5
109.02876	20.9
127.03925	100.0
141.15201	4.1
145.04971	56.0
160.08714	3.4
163.06029	29.3
187.05995	4.8
197.86429	3.2
217.10783	5.7
259.11859	16.8
271.08188	7.2
307.10376	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	397.2224
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
51.46293	1.6
53.03951	11.0
55.01870	4.4
55.05511	12.9
57.03431	5.3
57.07070	2.3
59.04995	2.8
61.02926	2.9
65.03938	3.7
67.05508	49.0
69.03085	2.7
69.03433	41.5
69.07072	19.1
70.06590	2.0
71.05000	65.9
71.55219	2.1
73.02897	3.4
73.06556	3.0
79.05495	22.4
81.03423	29.9
81.07062	44.5
83.04996	12.9
83.08619	5.6
85.02910	34.4
85.06534	4.6
87.08103	3.8
89.06030	6.3
91.05483	26.7
93.06474	3.2
93.07053	53.9
95.04974	39.2
95.08616	30.4
97.02892	22.9
97.06521	7.4
97.10182	2.5
99.03921	1.7
99.04449	10.8
99.08120	2.1
103.05452	2.7
105.04558	1.7
105.07035	60.8
106.07304	1.9
107.04964	5.3
107.08601	72.4
109.02887	21.8
109.06528	15.6
109.10160	100.0
111.04432	7.4
111.08082	6.0
113.06018	14.6
117.07001	5.7
119.04982	1.9
119.08591	57.1
119.92425	1.9
120.08952	1.9
121.06526	14.0
121.10150	78.7
123.04434	3.5
123.08059	8.4
123.11698	7.0
125.06010	3.8
125.09639	28.9
127.03929	24.6
127.07538	4.6
127.11206	21.8
128.06287	2.1
129.07021	4.9
130.07780	2.1
131.04945	2.0
131.08580	22.1
133.06490	2.6
133.10144	37.8
134.09602	2.0
135.08096	8.8
135.11703	30.6
137.05991	9.8
137.09615	28.8
139.07544	3.6
139.11163	2.6
142.07797	5.6
143.08575	10.2
145.04956	6.4
145.06563	2.4
145.09045	3.3
145.10126	47.3
147.08080	11.4
147.11700	76.8
149.05959	4.8
149.09633	19.4
149.13257	8.0
151.07571	4.9
151.11166	4.6
153.12762	21.4
155.08472	4.5
157.10159	13.9
159.08043	4.2
159.11705	13.7
161.06029	2.6
161.09651	12.0
161.13255	6.0
163.11229	8.9
165.09125	5.4
165.12808	17.6
167.07016	2.3
167.10681	3.3
169.10095	2.0
171.08031	2.1
171.11679	7.2
173.09596	5.3
173.13268	12.1
175.07603	3.2
175.11212	12.5
175.14848	38.3
176.44102	1.7
177.12698	4.0
179.07086	3.3
179.08759	1.7
179.10709	3.7
181.10126	2.3
182.10854	2.2
185.09489	2.7
185.13339	2.1
187.06079	3.4
187.11098	3.6
187.14845	2.6
189.09175	3.5
189.12779	6.0
189.16394	39.6
191.14281	2.7
191.17924	5.8
193.12218	4.1
193.15889	34.4
195.11705	1.9
197.09641	2.1
197.13423	2.0
199.11057	3.3
199.14854	9.3
201.05458	2.6
201.12769	3.5
205.15913	2.0
207.13834	2.1
207.17480	9.4
211.11168	3.7
211.16916	2.3
215.14288	3.6
217.12285	4.7
217.15903	49.4
224.80521	1.9
227.14481	2.3
233.15343	4.1
235.13359	3.9
235.16945	84.0
239.09070	2.9
241.08580	2.0
247.17174	2.1
253.18069	12.5
259.16913	4.3
273.11490	1.9
273.14978	3.5
299.13635	1.7
301.18246	2.5
343.19122	5.0
361.20114	7.7
379.21228	31.8
397.17087	7.4
397.22095	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	397.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
54.79046	1.9
57.03432	2.2
63.10143	2.3
65.09360	2.3
69.03431	12.4
69.60426	12.7
71.04977	5.8
73.06543	9.2
81.03433	13.1
85.02908	75.0
94.42995	2.4
97.02919	18.0
99.04459	39.0
101.05996	4.6
103.03949	82.2
109.02886	13.5
127.03921	100.0
132.48630	2.4
145.04965	64.5
145.06149	3.0
157.08653	3.0
163.06023	36.9
166.27213	2.4
187.06020	7.4
199.35042	2.1
201.45436	2.2
205.07114	3.6
216.34851	2.3
217.10725	2.7
259.11700	7.2
271.07965	3.9
307.10211	6.7
382.26456	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	397.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83071	2.6
53.03939	6.5
57.31720	1.7
59.04996	2.4
69.03445	12.4
69.57006	4.3
69.57417	9.6
71.04984	3.8
73.02888	2.3
73.06554	3.8
81.03423	16.3
81.07024	2.3
85.02911	70.1
93.59206	1.8
95.47488	1.8
97.02896	28.5
98.21474	2.8
98.97583	1.9
99.03840	3.3
99.04459	41.0
101.06013	2.9
103.03948	84.4
103.07571	4.0
109.02898	18.7
127.03922	100.0
129.03104	1.9
133.63885	2.0
145.04970	65.7
163.06036	33.4
181.08649	2.3
185.04480	2.0
187.05988	9.1
205.07173	3.9
259.11844	3.7
271.08194	9.7
281.30237	2.1
289.09229	6.8
307.10220	3.6
342.04422	1.9
397.14615	3.9
423.66425	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	397.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.05502	6.2
57.03418	2.0
69.03433	11.5
69.88989	6.2
69.89391	2.8
71.04997	3.1
71.76051	1.9
73.02925	2.6
73.06547	3.8
76.20892	2.1
79.35398	1.9
81.03432	13.1
82.83263	1.7
85.02914	75.1
91.07605	4.1
97.02906	19.5
99.04475	38.0
101.06024	3.3
103.03958	87.7
109.02893	17.1
118.34663	1.9
118.96953	1.8
127.02983	4.8
127.03932	100.0
145.04973	54.8
160.36542	1.9
163.06038	37.4
187.06068	4.5
205.07088	2.4
259.11746	6.5
271.08170	4.5
297.82382	2.4
307.10345	4.4
397.14740	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	396.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.9
55.01876	2.5
57.03440	4.2
59.04988	1.9
62.06107	3.0
67.05499	7.4
69.03434	9.7
69.07068	5.0
69.65376	11.6
71.05000	9.3
81.03411	8.9
81.07062	4.5
83.04961	2.7
85.02911	39.8
85.06528	9.4
86.09719	2.8
87.00814	3.2
87.04433	2.1
93.07042	3.0
95.04983	12.0
95.08590	6.8
97.02893	19.3
97.06518	2.0
98.20763	4.1
99.04448	18.5
103.03953	28.6
105.01846	2.8
107.08618	2.8
109.02888	11.8
109.06551	3.0
109.10139	2.6
113.06010	100.0
113.09640	21.8
119.08562	2.6
121.10114	4.0
127.03921	42.1
131.07057	14.2
131.10704	11.0
131.81154	1.9
135.02095	2.2
135.11757	3.2
136.06195	13.7
137.09610	3.1
139.07555	2.8
141.00992	2.7
145.04974	25.4
147.04413	2.9
153.12781	2.3
158.79543	2.2
162.04086	6.9
163.04669	4.2
163.05974	16.6
177.05566	2.1
181.12251	3.9
189.13008	2.3
199.09628	2.5
199.13344	6.3
234.11261	5.6
234.13440	2.0
247.60564	1.9
251.13370	4.5
275.11322	6.8
276.10812	4.4
277.11279	13.0
279.01700	1.9
281.40421	2.4
289.09079	4.9
378.14926	2.2
396.15012	6.5
396.19986	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	396.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.9
55.01876	2.5
57.03440	4.2
59.04988	1.9
62.06107	3.0
67.05499	7.4
69.03434	9.7
69.07068	5.0
69.65376	11.6
71.05000	9.3
81.03411	8.9
81.07062	4.5
83.04961	2.7
85.02911	39.8
85.06528	9.4
86.09719	2.8
87.00814	3.2
87.04433	2.1
93.07042	3.0
95.04983	12.0
95.08590	6.8
97.02893	19.3
97.06518	2.0
98.20763	4.1
99.04448	18.5
103.03953	28.6
105.01846	2.8
107.08618	2.8
109.02888	11.8
109.06551	3.0
109.10139	2.6
113.06010	100.0
113.09640	21.8
119.08562	2.6
121.10114	4.0
127.03921	42.1
131.07057	14.2
131.10704	11.0
131.81154	1.9
135.02095	2.2
135.11757	3.2
136.06195	13.7
137.09610	3.1
139.07555	2.8
141.00992	2.7
145.04974	25.4
147.04413	2.9
153.12781	2.3
158.79543	2.2
162.04086	6.9
163.04669	4.2
163.05974	16.6
177.05566	2.1
181.12251	3.9
189.13008	2.3
199.09628	2.5
199.13344	6.3
234.11261	5.6
234.13440	2.0
247.60564	1.9
251.13370	4.5
275.11322	6.8
276.10812	4.4
277.11279	13.0
279.01700	1.9
281.40421	2.4
289.09079	4.9
378.14926	2.2
396.15012	6.5
396.19986	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	395.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.1
55.17041	3.3
55.48277	3.5
57.07069	12.1
67.05511	20.0
69.07072	21.4
71.08617	7.9
79.05497	10.7
81.07066	47.2
83.08617	10.6
83.83784	3.3
85.10172	9.3
85.87035	3.7
89.06023	3.7
91.05489	11.0
93.07070	15.4
93.07590	3.3
95.08617	25.7
97.10171	6.7
98.21573	4.7
105.07025	20.9
107.08602	13.7
109.10144	11.7
111.11737	10.2
117.07030	10.2
117.25471	3.1
119.08554	7.7
121.10173	6.2
123.11703	7.8
127.06342	3.4
129.06999	4.0
131.08560	12.7
132.00931	3.2
133.08609	3.2
133.10138	28.2
135.11681	6.4
141.00359	3.1
143.08574	8.0
145.10115	39.5
147.11705	19.6
157.10191	7.1
159.11676	25.5
161.13254	6.2
173.13275	12.1
174.56215	3.0
176.63574	3.4
181.73108	3.2
182.36967	3.3
185.13316	5.2
199.14799	4.2
213.16484	5.7
229.01938	3.4
234.39320	3.7
241.19493	5.0
308.79926	3.6
347.25436	3.9
395.31866	6.0
395.36774	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.331
Annotation	14-Dehydroergosterol
Peak:m/z	Relative Intensity
55.05516	6.2
57.07080	10.3
65.35143	0.8
67.05505	4.4
69.07074	11.0
71.08640	9.3
79.05488	2.3
81.07063	12.4
83.08628	5.3
85.10169	3.7
86.73960	0.8
91.05486	3.7
93.07048	3.9
93.43594	0.8
95.08612	9.3
97.10165	4.5
105.07040	5.2
107.08598	3.2
109.10167	5.0
111.11726	1.9
117.07008	1.7
117.31244	0.9
119.08587	3.7
119.31326	0.8
121.10120	2.1
121.18266	0.8
123.11694	1.7
125.13213	0.9
128.06253	1.3
129.07011	2.5
131.08524	4.4
133.10147	3.3
135.11658	0.9
137.13257	1.0
141.06964	1.4
142.07744	5.6
143.08606	5.6
145.06476	1.0
145.10130	5.1
147.08075	1.1
147.11716	1.4
149.13301	1.3
152.06390	1.1
153.07018	2.8
155.08563	8.9
156.09390	1.4
157.10133	20.1
159.08098	1.0
159.11687	5.8
165.07013	11.9
166.07726	1.7
167.08572	7.5
168.09401	1.9
169.10144	6.8
171.11725	4.5
173.13269	2.1
175.11160	2.5
178.07866	1.1
179.08580	7.4
180.09351	15.0
180.10806	1.4
181.10120	10.5
182.10851	6.2
183.11716	13.4
185.13290	6.9
193.10156	2.6
194.10948	8.2
195.11713	69.1
196.12477	4.9
197.13252	15.2
198.13986	1.1
199.11176	1.4
199.14845	5.0
201.12753	2.7
207.11621	4.0
208.12503	4.3
209.13275	33.5
211.14818	18.8
213.12741	9.6
213.16418	3.4
215.14288	7.5
220.12457	1.1
221.13277	4.6
222.14030	10.9
223.14813	8.6
225.16422	3.5
227.14354	6.7
227.17924	1.9
229.15968	2.3
235.14809	5.0
236.15646	2.2
237.16406	41.4
239.18015	2.3
241.15889	6.3
249.16458	1.1
250.17244	2.2
251.17935	10.1
251.75795	0.8
253.19540	0.8
254.16728	2.3
255.17447	58.2
265.19556	1.4
269.18982	4.6
279.21066	1.7
283.20612	1.2
293.22638	3.3
307.23984	2.0
335.27350	2.3
344.94888	0.9
351.30502	2.1
377.32025	36.3
391.99051	1.1
395.33112	100.0
396.33438	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	395.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01854	2.7
55.05500	6.4
57.07073	2.0
67.05237	2.1
67.05505	22.1
69.03413	3.4
69.07063	11.2
70.43867	1.8
71.04976	5.4
71.55765	2.5
71.96072	1.9
79.05493	23.1
81.03404	4.6
81.07060	78.5
82.03746	2.2
83.04975	4.0
83.56458	2.0
91.05488	19.8
92.05784	2.2
93.07049	22.0
94.07365	2.9
95.04980	8.6
95.08617	24.8
103.05467	1.9
105.07037	25.4
107.08606	33.8
109.06533	17.3
109.10162	25.3
115.05418	3.0
117.07024	9.7
119.08589	19.0
121.06482	2.3
121.10147	13.6
123.08082	2.5
123.11707	7.4
127.11182	4.3
128.06195	4.4
129.07014	13.0
131.08588	22.0
133.09201	2.0
133.10130	32.7
135.08073	11.6
135.11691	6.6
137.09622	5.2
141.06950	5.2
142.07790	12.3
143.08563	20.0
143.10651	2.1
145.10132	27.1
146.10460	2.4
147.11691	16.9
149.09595	3.7
149.13283	3.0
155.08571	10.7
156.09251	3.0
157.10136	100.0
158.10495	4.1
159.08116	4.4
159.11714	30.0
161.09595	5.4
161.13319	4.5
163.11186	1.9
167.08517	3.7
169.10168	10.3
171.11700	16.8
172.12086	3.7
173.09628	3.3
173.13298	25.0
174.09985	2.2
175.11174	6.8
179.08580	2.4
181.10098	5.1
182.10802	2.9
183.11720	13.7
185.13252	7.2
185.96082	2.0
186.13588	2.1
187.11133	2.6
187.14880	3.3
189.12822	2.2
193.10101	2.1
195.11655	7.5
196.12299	4.5
197.13335	10.4
198.13680	2.3
199.11096	2.2
199.14821	5.2
201.12737	5.0
206.10767	2.3
207.11716	4.4
209.13237	8.9
211.14760	8.2
213.16292	3.7
215.17796	3.5
220.12315	3.0
221.13194	4.1
223.14705	6.0
224.15324	2.2
225.16234	4.5
227.14246	2.4
229.15875	3.2
235.14751	5.2
237.16344	13.5
239.14240	2.0
241.15639	2.0
243.17444	10.7
247.14543	2.3
249.16364	3.2
251.17902	2.6
253.19531	84.1
254.19868	2.4
255.17546	10.7
263.17767	3.0
269.18866	2.5
281.18787	3.9
287.20074	6.4
291.21027	5.3
293.18207	3.2
294.19098	3.3
295.19586	2.1
307.20328	2.3
309.22052	3.5
319.19958	2.2
323.23056	3.6
333.21362	2.1
335.23697	2.1
344.21286	2.9
347.22949	4.6
349.24280	2.8
351.23145	15.9
351.27142	3.4
359.23627	17.0
377.24063	27.8
377.28461	14.9
395.25314	82.5
395.29556	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	395.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.8
55.05507	12.9
59.04970	1.6
67.05515	2.6
69.03428	12.7
69.07072	15.2
70.60307	4.2
71.04993	3.5
79.05502	2.0
81.03431	8.9
81.07042	4.9
83.04961	2.2
83.08150	2.9
83.08617	38.4
85.02908	9.6
87.08076	4.5
91.05470	2.8
93.07043	4.3
95.04951	1.7
95.08575	5.4
97.02889	7.9
99.04468	7.8
105.07036	3.4
107.08595	2.7
109.02876	6.5
109.06513	1.9
109.10122	4.9
111.08086	44.7
111.08868	2.1
119.08540	2.5
123.11708	1.6
124.05135	1.6
127.03911	9.5
129.09122	100.0
131.08589	2.1
133.10138	1.8
135.08121	1.4
145.04996	1.8
145.10126	4.9
161.09566	1.7
167.07123	2.6
169.31871	1.4
179.18039	2.6
187.11180	2.2
189.12740	1.6
215.10712	1.4
233.11653	2.0
233.15260	2.4
255.12283	5.3
273.13336	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	395.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01866	3.7
55.05516	11.6
57.03432	2.8
57.07078	2.8
61.02913	4.5
64.98474	1.9
67.83784	1.8
69.03432	23.6
69.07073	100.0
70.11188	6.4
70.11518	1.8
71.05025	3.7
73.02926	3.7
79.05523	1.5
81.03429	14.4
83.08624	7.1
85.02913	59.0
87.00841	28.8
95.08624	2.0
97.02896	21.2
99.04454	8.1
105.01875	42.0
107.08593	2.6
109.02884	17.4
111.11029	3.6
111.11732	41.7
118.07878	1.7
127.03074	3.1
127.03931	32.4
129.12766	65.9
133.10103	2.0
133.49770	1.8
145.04977	14.9
147.13850	3.8
159.02878	5.9
167.95528	1.9
177.16554	1.9
205.98361	1.8
213.03891	3.2
231.05043	12.0
238.42139	1.9
397.73825	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
54.22763	1.0
55.01866	2.9
55.05515	12.4
57.03419	3.3
57.07053	3.7
59.04998	1.4
59.36545	1.2
61.02915	1.9
67.05499	2.4
68.17462	1.2
69.03435	23.5
69.07072	100.0
71.04984	2.9
71.55376	1.9
73.02916	2.5
81.03425	13.4
81.07050	1.5
83.08629	8.5
85.02910	39.6
85.10169	2.2
87.00834	18.4
88.28918	1.2
91.05494	2.2
93.07022	2.8
95.08600	2.1
97.02906	12.3
99.04466	5.9
105.01872	22.1
105.07021	1.8
107.04956	2.3
109.02882	15.2
110.07140	4.3
111.11731	29.9
119.08562	2.3
127.03928	28.1
129.01823	1.4
129.12761	66.5
131.08719	1.3
143.08206	2.4
145.04977	7.8
147.04269	1.3
147.06451	1.2
147.13803	27.6
156.07689	1.6
159.02898	3.9
179.85567	1.2
213.03981	1.4
231.05032	6.8
249.05940	1.8
314.10535	1.3
395.11435	1.7
395.21130	3.4
401.52231	1.1
402.87088	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	3.6
53.03949	11.5
55.01877	7.5
55.05499	10.2
57.03433	7.5
64.11687	3.6
65.03906	3.8
67.05502	16.5
69.03429	30.6
69.07059	9.8
69.32391	12.5
69.32816	18.4
71.04987	15.8
72.08161	4.0
78.52792	3.1
79.05502	19.9
81.03426	48.3
81.07060	25.6
83.04987	27.8
85.02902	15.5
85.06525	7.2
91.05476	28.1
93.07056	43.1
95.04963	23.9
95.08633	18.6
97.02899	15.0
97.06539	19.7
99.04463	23.1
103.05475	8.8
105.07036	74.3
107.04950	8.4
107.08618	35.2
109.02875	21.9
109.06541	24.6
111.04459	5.8
115.05464	3.5
117.07035	18.7
119.04965	12.8
119.08595	28.7
121.06508	28.2
121.10081	7.7
123.08058	5.5
125.05993	17.3
127.03932	100.0
127.07584	5.4
129.06999	11.1
130.07741	4.7
131.04941	14.2
131.08582	23.3
133.06490	11.1
133.10173	19.2
133.29483	3.2
135.08051	10.0
135.11679	9.3
137.05983	9.8
139.07593	4.6
143.07053	11.6
143.08575	15.5
144.09392	6.2
145.06483	10.8
145.10139	97.5
145.11288	4.9
147.08098	6.8
147.11696	12.3
149.05891	4.7
151.07584	7.4
153.70773	3.5
154.07774	5.9
155.08516	4.6
157.08646	5.1
157.10107	7.0
158.07246	4.7
159.08064	12.4
159.11696	41.1
161.09639	8.0
161.13217	4.8
163.11208	42.5
169.10115	16.7
171.08011	6.1
171.11710	8.5
172.08855	4.0
173.09631	34.9
173.13367	7.2
175.11218	3.9
177.12773	9.8
179.08556	4.1
180.09294	3.9
185.09669	6.2
187.11201	64.6
187.14778	4.6
189.12750	8.7
191.10693	25.9
197.09642	10.0
197.13284	14.1
205.12262	46.6
209.11688	8.5
210.10378	3.6
215.10689	67.5
215.14171	7.0
233.11766	48.1
233.15379	6.6
243.13979	4.4
251.12816	14.9
271.52066	3.7
317.13626	4.6
333.17044	4.1
335.15253	4.5
359.14957	5.3
377.15848	13.6
395.16638	30.8
395.21442	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	18.9
55.01863	11.7
55.05496	12.3
57.03429	8.3
57.07064	4.6
65.03940	5.2
67.05509	36.1
69.03436	55.5
69.03792	6.1
69.03957	3.5
69.07055	16.3
70.06570	4.1
71.01344	4.8
71.05003	22.4
71.55973	4.1
73.02908	5.5
76.71340	3.8
79.05134	3.9
79.05504	47.9
81.03417	44.7
81.07058	72.4
83.04992	32.9
85.02916	22.9
85.06532	6.6
87.04469	5.8
87.63326	4.0
91.05478	41.9
93.07056	50.8
95.04970	37.8
95.08620	24.6
97.02898	24.5
97.06523	17.6
99.04469	20.7
99.16537	3.8
103.05491	7.6
105.07031	85.8
107.04963	28.5
107.08598	48.2
109.02888	35.4
109.06528	35.1
109.10158	30.3
111.04441	11.6
111.08046	4.5
115.05421	5.5
117.07011	21.0
119.04931	16.7
119.08591	48.7
121.06524	42.7
121.10155	22.0
123.04459	9.6
123.08082	22.9
123.11649	6.5
125.06029	20.2
127.03915	43.5
128.06235	9.2
129.06993	13.5
130.07785	6.4
131.04897	5.3
131.08577	39.4
133.06482	15.9
133.10138	35.5
135.04420	19.5
135.08054	15.5
135.11688	17.7
137.05978	13.7
137.09631	12.1
137.59059	3.8
139.06355	3.3
139.07516	9.9
141.06967	9.1
142.07750	9.1
143.07010	7.4
143.08560	30.6
144.09357	4.5
145.04916	7.5
145.06517	23.3
145.10129	100.0
147.08061	23.7
147.11681	19.8
149.05963	6.2
149.09592	10.3
151.07521	11.5
151.11194	10.4
153.09135	4.6
154.07744	5.3
155.08537	12.7
157.06465	5.0
157.08601	3.8
157.10089	18.2
158.07300	7.7
159.08046	24.9
159.11703	37.0
161.06017	8.4
161.09630	14.3
163.07562	10.8
163.11191	44.9
163.14833	4.5
169.06473	5.0
169.10147	16.2
171.08061	13.2
171.11688	10.6
172.08781	7.3
173.05933	4.2
173.09634	47.5
173.13313	18.7
175.07538	9.4
175.11198	12.7
177.09039	5.6
177.16403	5.3
179.08536	6.2
181.10094	5.2
181.12186	5.8
182.07401	5.0
182.10803	4.0
183.08041	7.4
183.11705	7.8
185.09625	14.6
185.13255	7.3
187.07504	8.2
187.11192	46.3
187.14825	23.7
189.09131	10.1
189.12706	7.3
191.06987	6.3
191.10779	18.6
191.14304	7.7
195.08096	4.3
197.09610	17.2
197.13223	7.2
197.18987	6.9
199.11205	12.1
201.09117	7.4
203.10675	8.5
205.08655	4.7
205.12248	18.7
205.15877	14.1
209.09767	5.5
209.11650	8.2
211.11191	11.7
213.09076	9.1
215.10687	54.2
215.14218	20.5
217.08620	3.8
217.12158	6.3
219.10185	4.3
223.11238	6.0
225.12721	12.6
227.10759	5.5
229.12280	13.7
231.10112	5.2
233.09541	8.8
233.11742	32.1
233.15387	37.1
239.10748	5.7
241.12192	6.5
243.10075	8.1
243.13808	6.0
245.11795	4.4
251.12756	11.0
251.16608	5.1
253.12131	5.0
257.11746	11.1
261.11261	6.2
275.12686	9.1
317.13852	5.8
335.15063	4.8
341.13870	10.7
349.11429	4.6
359.14905	12.8
377.15924	17.5
377.20093	6.1
395.16425	28.9
395.20932	21.7
395.25891	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	14.7
55.01865	8.3
55.05507	11.2
56.70889	3.0
57.03430	4.0
57.07053	4.3
65.03944	4.6
67.05509	23.5
69.03435	37.2
69.07048	14.1
69.93439	10.1
69.93851	7.1
71.04972	14.0
72.43549	3.0
79.05500	25.3
81.03429	53.8
81.07052	31.2
83.04988	26.0
85.02911	16.4
85.06535	9.4
91.05483	30.8
93.07056	49.0
95.04980	31.7
95.08604	22.6
97.02879	23.5
97.06525	23.6
99.04457	25.9
100.11333	3.7
103.05474	3.8
105.03359	4.3
105.07034	69.7
107.04949	8.4
107.08582	30.1
109.02903	24.8
109.06506	26.0
109.10152	7.9
111.04427	9.7
111.51652	2.7
113.05954	3.5
117.07000	20.1
119.04921	12.1
119.08564	29.8
121.06508	29.2
121.10133	11.6
123.04443	3.4
123.11673	4.8
125.05975	20.4
127.03920	70.0
127.07557	5.3
128.06198	6.6
129.07053	14.9
130.07799	7.5
131.04948	4.7
131.08553	36.2
133.06497	17.2
133.10136	19.0
135.04420	6.0
135.08046	11.1
135.11699	10.0
137.06021	18.1
137.09668	3.4
139.07602	3.9
141.05473	5.0
141.06966	3.6
142.07837	3.4
143.07028	7.7
143.08598	23.9
144.09322	7.6
145.06496	15.0
145.10130	100.0
147.04385	6.0
147.08040	13.3
147.11658	14.0
149.05951	4.5
151.07542	10.8
153.07101	4.6
155.08546	17.7
156.09309	3.5
157.06421	4.0
157.08694	2.8
157.10146	8.9
158.07324	6.5
159.08028	14.8
159.11685	42.4
161.09572	11.0
161.13310	5.7
163.07567	7.0
163.11188	33.3
165.06961	3.2
165.09087	4.4
167.08504	6.5
169.10074	23.6
171.08038	6.6
171.11687	7.2
172.08812	5.0
173.09642	44.2
173.13196	5.4
175.07487	6.4
175.11194	7.5
177.09129	4.2
177.12781	4.7
179.08556	3.8
180.09384	5.5
181.10068	6.9
182.10826	6.4
183.08020	7.0
183.11578	6.9
185.09601	9.8
187.07523	4.0
187.11197	70.3
187.14838	4.9
189.09161	5.2
189.12823	8.4
191.10695	30.2
195.11681	13.2
197.09589	10.0
197.13266	36.9
197.18947	5.7
198.40352	3.3
199.11060	7.9
201.09045	5.2
203.10677	5.6
205.12242	41.4
209.11662	8.7
211.11166	3.9
213.12775	10.1
215.10675	58.8
215.14302	9.7
215.20001	3.2
217.12157	4.1
225.12799	25.1
227.14316	7.9
229.12164	4.3
233.11694	42.4
233.15302	7.0
243.13857	24.9
245.15430	8.9
251.12750	13.3
268.38812	3.3
269.15790	5.9
295.13535	4.6
299.16354	4.2
309.36456	3.1
317.13950	4.9
317.17493	10.1
335.14777	8.7
341.13882	3.8
349.16312	3.6
356.30530	3.6
359.14771	8.4
364.71835	8.0
377.15613	15.2
395.16510	24.3
395.20322	52.3
409.74060	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	395.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.2
55.01863	14.5
55.05499	16.4
56.04192	4.5
57.03431	8.9
60.53844	4.7
61.02923	8.9
67.05509	25.3
68.99786	10.6
69.03431	46.7
69.07068	14.7
71.04984	12.7
71.55195	5.4
71.55594	7.1
73.02900	5.7
74.40942	4.0
79.05487	33.9
81.03431	38.5
81.07055	42.7
83.04976	12.8
83.08647	6.4
85.02911	53.6
85.06575	5.3
87.00822	19.9
91.05483	34.4
91.70483	4.2
93.07056	42.8
95.04967	27.3
95.08608	37.7
97.02904	25.0
97.06536	17.5
99.04448	14.8
103.03944	16.1
103.05447	9.5
105.07037	67.1
107.04948	12.6
107.08594	42.5
109.02872	14.0
109.06507	10.9
109.10168	23.5
111.04449	9.7
115.05463	23.7
117.07032	35.9
119.04955	6.8
119.08602	46.8
121.06506	20.1
121.10139	16.3
121.93002	3.9
123.04489	6.9
123.11674	8.9
123.30235	4.2
125.06004	12.4
127.03942	33.5
128.06226	16.6
129.01860	11.5
129.07011	44.1
130.07782	6.6
131.04910	13.3
131.08571	27.5
133.06490	16.0
133.10118	20.9
135.08049	14.8
135.11691	11.6
137.05986	35.2
137.09631	7.3
137.13289	5.3
139.07568	4.5
141.06975	18.0
142.07759	5.6
143.04942	8.1
143.08574	25.5
144.05725	11.1
145.06497	37.7
145.10121	55.7
147.02895	9.3
147.08052	7.8
147.11693	13.9
149.06004	7.7
149.09589	9.4
149.13222	8.6
151.07570	9.4
152.06071	6.5
153.06990	12.0
154.07802	5.2
155.08559	13.4
157.06477	29.3
157.10085	14.8
158.07303	18.6
159.08054	20.9
159.11696	28.1
160.05196	23.5
161.05894	10.5
161.09564	10.8
161.13191	5.4
163.07562	15.5
163.11230	29.7
166.07841	5.8
167.08588	19.5
169.06529	22.2
169.10104	7.4
171.08049	18.3
171.11647	8.1
172.05222	6.9
173.05843	4.7
173.09679	22.5
173.13184	5.1
174.06784	13.3
175.07562	82.7
175.11258	9.7
177.09128	52.1
177.12695	6.5
181.06520	14.0
181.10204	5.3
182.07236	6.6
183.08028	12.2
185.09584	5.7
185.13188	5.6
186.06750	9.5
187.07561	100.0
187.11160	35.0
187.14804	11.2
189.03963	9.3
189.09123	56.1
189.12811	5.9
191.07001	11.5
191.10674	20.2
193.08693	6.8
195.08034	30.2
197.09573	10.1
198.06708	5.4
199.07483	12.3
199.11185	7.3
200.08328	4.7
201.09134	68.1
203.10628	13.6
205.08614	7.9
205.12256	15.5
205.15962	8.2
209.09631	7.1
211.11212	7.2
212.08311	5.8
213.09100	24.3
215.10753	46.8
215.14267	15.8
216.07889	6.8
217.08543	7.4
219.10207	6.1
223.07478	9.8
225.09183	9.2
225.12466	4.7
227.10693	46.0
229.08574	22.1
231.10178	30.6
233.11771	29.3
233.15356	14.4
237.09079	6.8
241.08556	6.2
243.10176	11.2
245.11861	5.7
255.10196	49.8
273.11267	42.4
291.12311	9.8
359.15073	4.9
377.20010	7.4
377.24710	5.8
395.12027	6.1
395.17078	14.3
395.21268	9.6
395.25790	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	395.0863
Annotation	FL 120B'
Peak:m/z	Relative Intensity
50.82046	0.9
51.07772	0.9
51.20431	0.8
51.65728	0.8
53.69515	0.9
55.33147	0.9
56.96566	10.1
61.63488	0.9
63.29430	0.8
67.15996	0.9
69.66883	4.9
69.67289	1.9
70.98115	1.5
79.71786	0.9
81.03408	1.0
84.96043	3.0
85.02901	3.9
88.99140	1.0
96.04503	1.2
97.02892	2.3
98.97587	100.0
110.97571	21.5
112.99123	6.4
116.07117	2.6
116.98627	18.3
124.99135	6.9
127.00632	0.9
127.03919	1.1
128.98618	12.7
131.00174	3.4
134.99663	2.6
136.99074	2.1
140.98625	2.2
143.00166	10.1
145.01671	1.1
146.08145	1.7
146.99666	4.1
152.98604	2.3
155.00159	4.2
156.98071	0.9
158.99661	44.0
161.01270	5.2
161.02794	0.8
163.02817	1.8
166.07260	2.9
170.99641	8.0
172.97668	1.7
173.01175	3.8
173.03009	1.0
177.00706	19.2
179.00027	1.0
182.99724	1.2
185.01213	7.2
186.99297	1.0
187.02686	1.0
189.00728	4.2
189.04434	1.0
194.99672	1.7
197.01137	2.1
201.00697	10.9
203.02267	4.8
205.00139	1.0
206.02739	1.3
207.01779	1.3
215.02328	3.1
219.01770	63.9
232.99754	1.7
237.02823	40.0
245.03209	5.7
249.02754	1.7
249.13441	1.1
251.00639	1.4
257.03329	3.2
261.02811	10.7
265.06213	1.2
275.01047	1.7
275.04349	4.5
276.44089	1.0
279.03922	20.4
287.04410	3.2
293.02136	1.5
293.05475	4.3
295.07092	1.4
305.05331	6.6
307.06735	1.3
317.05423	5.8
319.03442	1.0
321.04868	9.2
323.06433	2.3
335.06497	34.0
335.10043	1.3
353.07523	19.1
395.08572	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	395.0377
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	51.8
61.02932	15.3
69.03427	27.2
70.06596	20.1
70.32308	30.6
79.19671	11.3
81.03441	13.2
85.02902	54.7
97.02914	20.5
98.21125	19.3
98.97578	100.0
101.00871	44.3
105.03403	17.2
110.97586	25.6
116.07124	18.1
116.98587	25.8
119.01875	30.1
119.04917	18.1
127.03875	14.6
128.98593	13.7
131.01906	37.1
143.01886	62.4
145.03532	17.4
145.04926	13.4
147.04376	24.1
155.01913	26.5
158.99629	38.2
161.02937	45.3
162.59807	13.0
166.07332	61.2
169.03352	25.0
173.02910	39.6
174.99133	13.0
177.00749	20.6
177.05437	23.0
181.04936	25.7
185.02873	15.6
197.01161	13.9
219.01790	23.9
224.06200	16.3
237.02757	18.7
239.02356	16.7
267.00446	15.3
275.02423	41.3
287.02621	20.5
293.03644	20.0
303.02072	27.7
305.03473	14.0
377.05695	20.6
395.03406	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	394.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47715	0.9
55.01879	2.4
55.05511	2.4
59.81694	0.8
67.05498	1.5
69.03420	2.8
69.07065	1.9
69.68689	0.8
69.72201	4.2
70.06601	1.9
72.08163	8.5
79.05506	1.2
81.03416	1.7
81.07067	11.7
84.04506	4.0
84.08152	1.2
85.02895	5.8
86.09702	4.9
88.03983	1.2
91.05484	1.9
93.07040	2.0
95.04957	0.8
95.06060	1.0
97.02879	2.6
97.06557	1.5
98.21409	1.6
100.07606	1.4
102.05540	2.4
102.80746	1.0
105.07040	3.0
106.06544	0.8
106.71507	0.9
107.08602	1.7
109.02859	1.7
109.06536	6.6
109.10175	1.4
111.08069	1.1
111.10368	0.9
113.06030	1.2
118.08688	1.0
119.04923	1.0
119.08549	2.2
120.08120	10.5
121.06548	1.0
125.05999	6.7
127.03920	5.2
128.07188	0.9
133.10120	4.0
137.05991	100.0
137.09586	5.1
146.06082	1.5
149.06000	1.4
150.06360	1.5
151.03899	2.3
151.11235	1.4
152.04271	1.6
161.09610	6.2
166.08627	3.7
177.05489	2.2
178.05814	1.8
179.10689	51.3
183.11325	1.1
185.16499	1.0
197.11749	71.4
201.12350	3.2
215.12830	2.5
219.15071	0.9
225.07611	1.0
229.11848	2.1
257.22766	0.9
270.09421	1.2
274.11481	0.9
348.15213	1.1
376.12079	2.9
394.13513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.9
55.05508	3.5
56.67297	1.7
56.96560	2.5
57.03435	2.0
57.07057	2.2
65.41051	1.8
67.05502	11.2
69.03426	4.5
69.07063	8.1
69.31168	1.7
70.05704	8.8
70.06572	2.5
71.04989	3.8
71.08647	3.2
72.08150	2.6
79.05500	6.5
79.35844	1.9
81.03423	6.2
81.07062	30.4
83.04987	3.4
85.02917	9.1
87.04485	2.4
87.33822	2.0
91.05486	6.6
93.07051	7.9
95.04973	6.1
95.08609	7.9
97.02908	4.7
97.06545	4.7
99.04450	6.1
105.07043	6.0
107.08612	8.1
109.02892	3.7
109.06530	10.9
109.10144	7.2
111.04413	2.9
119.08585	4.7
121.06491	3.1
123.04428	3.7
123.08075	3.1
123.11711	50.5
125.06017	2.8
127.03897	5.8
129.07033	2.2
131.04958	2.2
131.08559	2.6
133.10115	9.6
135.08080	3.2
137.05966	2.8
151.11180	23.6
152.05666	2.3
153.12741	2.1
161.09595	3.8
161.13245	2.3
169.12317	9.6
179.10655	23.1
179.14221	2.8
181.06764	2.0
197.01294	4.4
197.11732	44.5
197.15497	2.4
215.12788	100.0
236.69243	2.0
320.76486	1.8
364.84048	2.1
394.25409	2.5
394.29510	9.2
394.34482	3.7
395.90610	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.3
56.96552	2.2
57.03446	1.9
61.02931	1.6
69.03423	4.4
70.54403	1.4
71.16203	2.4
73.02905	1.3
78.25497	1.1
79.05489	3.1
81.03418	3.5
82.06607	1.6
84.08142	2.9
85.02916	17.7
86.06058	1.3
89.03931	2.4
91.05489	19.8
97.02918	6.5
98.20958	1.4
98.97604	7.3
99.04447	1.6
100.07608	2.8
107.04941	6.8
109.02905	1.6
110.97607	2.2
114.46940	1.2
119.04951	50.1
120.08079	1.8
121.06500	3.4
127.03934	5.4
129.46841	1.1
131.04921	1.9
135.04454	14.1
137.05983	36.8
145.02824	2.1
145.04944	4.1
146.08125	1.5
147.04419	85.2
149.06023	6.9
151.07559	9.4
155.06935	1.5
156.77071	1.2
161.06024	1.6
163.03914	7.8
163.07573	1.8
167.07057	21.9
175.07487	1.4
177.05470	2.3
179.07050	100.0
187.07497	1.4
191.06932	2.8
195.60406	1.3
197.08083	6.3
203.07352	1.3
215.07011	1.4
219.01797	2.6
237.02835	2.5
245.72350	1.4
275.09189	1.6
311.11261	7.1
394.20462	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	393.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	33.7
57.06825	3.1
57.07074	20.1
67.05499	9.0
69.07071	34.5
71.08620	9.3
79.05493	7.3
81.07063	38.1
83.08624	100.0
84.71201	2.5
91.05495	9.9
93.07017	8.5
95.08596	9.8
97.10171	10.1
105.07045	9.3
106.90138	2.8
107.08581	11.8
109.10175	6.1
115.57840	2.8
117.07027	3.5
119.08576	5.7
121.10151	5.2
131.08574	7.4
133.10127	9.0
143.08624	5.0
145.10149	11.1
147.11688	8.5
155.37830	2.8
157.10168	13.3
159.11707	9.0
161.13229	3.7
171.11678	3.5
173.13188	5.5
187.14848	3.5
189.09114	4.7
211.14726	3.5
213.42703	3.0
239.17815	4.6
253.19600	5.7
289.62070	3.3
295.24307	8.2
297.25500	3.6
309.25714	5.7
376.25943	4.0
393.35223	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	393.3152
Annotation	Ergosta-4,6,8(14),22-tetraen-3-one
Peak:m/z	Relative Intensity
55.05515	12.1
57.07088	8.1
67.05505	6.4
68.67103	1.3
69.07071	18.5
69.25018	13.4
71.08621	3.7
76.67746	1.6
79.05503	4.4
81.07063	28.2
83.04978	1.4
83.08622	18.8
91.05476	5.8
93.07076	9.4
95.08614	16.9
97.10178	5.8
97.93807	1.4
98.21456	3.0
103.05444	1.7
105.07018	8.8
107.08587	9.2
109.10164	14.1
113.39823	1.5
115.05495	1.6
117.07011	2.4
119.08575	7.6
121.10145	7.6
123.11703	14.2
129.07016	3.9
131.08562	8.4
133.10146	8.3
135.11719	3.6
136.32150	1.7
137.13278	4.3
141.07085	1.8
142.07816	4.4
143.08568	7.8
145.10130	10.1
147.08128	1.8
147.11676	3.7
149.13321	1.8
155.08618	9.0
156.09348	2.3
157.10147	20.8
159.11707	8.8
161.13319	2.0
163.14929	3.0
165.07014	5.6
167.08643	4.0
169.10133	6.7
170.10849	1.6
171.11703	5.9
173.13251	2.3
175.11177	1.7
175.14900	2.4
179.08548	4.2
180.09332	6.8
181.10138	9.8
182.11006	2.5
183.11685	12.8
185.13280	6.9
187.14941	1.7
192.09399	1.6
193.10197	2.5
194.10933	4.0
195.11700	26.8
196.12460	2.8
197.13283	14.6
199.14807	3.9
201.12787	3.1
206.10783	2.6
207.11711	6.8
208.12523	2.5
209.13280	15.5
211.11136	2.2
211.14853	12.1
213.12720	3.2
213.16412	4.5
215.14383	4.1
216.16772	1.5
219.11790	2.0
220.12416	2.5
221.13222	8.1
222.14011	4.4
223.14798	9.3
225.12767	2.0
225.16388	4.3
227.14366	5.0
227.17908	3.6
229.16040	2.0
234.13841	1.8
235.14862	14.3
237.16422	18.7
239.14320	2.0
239.17989	2.4
241.15904	3.3
247.14986	2.5
249.16461	5.9
251.17973	6.4
253.15916	5.9
253.19533	2.0
255.17488	24.3
263.18057	2.3
265.19315	2.6
267.17545	5.6
267.20877	1.5
269.19025	2.0
277.19482	1.8
291.21069	3.4
295.20673	3.6
305.22626	4.6
309.22171	4.1
323.23798	2.4
335.27734	1.7
365.94971	1.8
375.30450	34.8
393.20520	5.2
393.31549	100.0
394.32135	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	393.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56716	2.5
53.03930	5.1
54.24797	2.5
55.05515	23.6
57.07066	10.2
58.07719	2.3
65.03945	4.3
67.05509	35.3
69.07065	19.3
71.08629	3.3
76.40004	2.2
79.05075	2.6
79.05506	37.1
81.03412	7.5
81.07063	59.4
83.04984	4.7
83.08619	10.7
85.06541	4.2
91.04913	2.4
91.05484	56.4
93.07047	77.6
95.04972	58.5
95.08051	5.2
95.08608	55.6
97.06532	10.1
98.98478	2.4
103.05471	6.6
105.04499	2.8
105.07034	100.0
107.04948	3.8
107.08600	55.0
109.06512	16.3
109.10178	27.6
115.05495	2.7
117.07030	19.0
119.08591	95.5
120.08976	2.7
121.06519	23.5
121.10149	46.6
123.08099	6.4
123.11691	8.4
124.10874	2.2
127.00526	3.1
128.06232	8.8
129.07019	16.5
130.07790	11.1
131.08575	44.3
132.09189	2.4
133.10136	52.6
135.08040	12.9
135.11693	25.3
141.07027	4.2
142.07805	22.8
143.08562	39.2
144.09334	7.7
145.06435	3.1
145.10130	71.6
146.10443	3.3
147.08084	6.4
147.11673	29.4
149.09631	6.2
149.13254	3.1
153.06978	3.3
154.07863	2.4
155.00990	2.7
155.08533	14.3
156.09343	10.0
157.10139	58.6
158.10869	5.7
159.08035	6.2
159.11716	43.0
161.09601	16.1
161.13234	6.3
163.11189	6.5
165.06998	4.3
167.08572	6.3
168.09355	4.4
169.10149	18.3
170.10950	6.8
171.08051	4.5
171.11720	24.3
172.12343	2.5
173.09636	11.4
173.13277	27.2
175.09921	2.6
175.11191	14.6
175.14813	19.0
177.12643	3.8
178.07761	3.9
179.08568	8.4
180.09398	3.3
181.10124	10.0
182.10828	3.9
183.11710	23.0
185.09810	3.2
185.13231	15.2
186.14008	4.3
187.11223	9.1
187.14833	11.0
194.11070	4.5
195.11690	14.1
196.12488	4.4
197.13251	14.5
199.11180	3.7
199.14839	9.5
201.12872	2.8
201.16422	8.1
205.10225	3.6
206.10947	4.6
207.11678	6.3
209.13263	15.0
211.11337	3.8
211.14769	12.3
213.12732	3.6
213.16409	4.3
215.14262	4.0
220.12463	3.9
221.13284	4.3
223.14824	7.2
225.12744	3.9
225.16379	6.9
227.14278	4.8
227.17880	2.6
235.14787	4.7
237.16266	5.2
241.15884	5.3
241.19492	4.0
247.14853	3.4
253.15881	7.7
253.19431	7.1
255.17360	3.1
259.15128	2.7
265.19446	2.8
279.21094	3.2
281.18948	5.4
293.18994	3.1
304.26270	6.3
319.20508	3.1
375.22977	21.0
375.27103	3.6
393.24030	70.2
393.28030	9.0
393.35266	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	393.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62707	1.5
53.03931	2.2
55.01868	2.2
55.05518	10.6
57.03439	1.8
57.07078	8.8
67.05499	9.6
69.03415	4.3
69.07072	19.3
69.78291	9.0
70.06586	3.1
71.04964	4.8
75.33026	1.5
79.05499	11.2
81.03413	4.0
81.07052	30.5
83.04950	2.5
83.08630	11.5
85.02911	15.7
85.06551	12.4
86.09697	6.1
91.05466	5.4
93.07039	24.7
95.04932	2.0
95.08608	55.3
97.02882	4.4
97.06512	2.5
97.10143	6.7
99.04447	2.2
99.08083	6.7
105.07024	3.8
107.08600	42.2
109.02877	3.5
109.10167	23.6
109.91827	1.6
111.08074	2.3
111.11683	2.5
116.07109	2.1
117.07056	1.6
119.08575	2.8
121.09320	3.1
121.10152	44.6
123.11684	6.7
125.09615	2.2
127.03904	6.6
129.09062	1.7
133.10121	2.1
135.11693	19.2
137.13234	5.7
139.11189	5.0
145.04970	1.9
145.10089	2.3
146.06038	9.9
149.05984	2.4
149.13277	3.8
151.03922	3.6
151.07495	1.7
151.14827	2.9
159.11629	2.3
161.05927	1.7
165.16386	5.3
177.16397	100.0
183.17435	8.0
195.13814	2.0
195.17458	67.2
198.11435	1.7
213.18518	17.3
216.08846	3.7
231.19548	41.3
267.90540	1.9
299.10162	1.8
300.11026	2.7
336.24197	1.9
375.14597	2.0
393.14496	4.9
393.19739	2.2
399.31842	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
54.09027	2.6
55.05503	11.5
57.03458	3.7
57.07074	10.1
67.05495	8.5
68.83528	2.2
69.03423	8.8
69.07062	16.9
69.59081	17.4
71.04980	6.1
79.05484	11.6
81.03426	3.9
81.07059	33.8
83.08646	12.3
85.02915	14.8
85.06525	8.5
86.09709	7.1
91.05476	4.3
93.07060	22.8
95.08038	4.3
95.08614	45.2
96.41542	2.3
97.02876	3.1
97.10153	8.0
97.24252	2.2
98.20776	5.3
99.08069	4.0
102.04321	2.9
105.07025	6.5
107.08590	36.8
109.02867	2.9
109.06509	3.8
109.10163	16.2
119.08624	2.9
120.08149	4.2
121.10148	38.6
123.11678	7.6
124.65630	2.7
125.36610	2.5
127.03934	4.6
127.07542	6.0
127.11230	4.7
128.10699	5.2
135.11685	9.7
137.13220	6.2
139.11107	4.7
145.08592	2.9
149.13249	3.5
151.14702	3.3
156.11299	2.6
165.16405	3.9
175.95090	2.5
177.16386	100.0
195.17450	50.4
213.18488	29.5
231.19551	7.0
241.09685	2.8
242.10571	3.5
249.26158	2.4
271.11749	2.8
273.18127	3.1
280.33109	3.2
283.10696	3.0
323.33047	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	393.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52336	0.9
53.03958	1.9
55.01874	1.8
55.05517	2.8
57.03463	1.4
57.07080	7.2
64.66640	0.9
67.05510	4.4
67.62161	0.8
69.07079	2.5
69.29786	8.5
69.47929	1.0
71.04992	1.2
71.08651	3.4
72.86379	0.9
79.05505	5.1
81.03445	3.8
81.07065	5.0
83.08617	2.4
83.55672	0.9
85.10207	1.9
91.05502	4.1
93.07050	5.9
95.04998	4.7
95.08625	6.7
97.10179	1.5
98.21516	1.8
98.98473	6.3
105.07055	5.1
106.86758	0.8
107.04971	1.3
107.08614	3.8
109.06548	2.6
109.10180	2.5
117.07060	3.8
119.08591	3.7
121.06541	3.8
121.10172	3.3
123.11803	1.5
129.07034	1.1
131.08618	2.1
133.06493	1.6
133.10158	3.1
135.08112	2.7
135.11674	1.1
142.07828	1.8
143.08586	2.7
145.06503	1.7
145.10155	5.0
147.08104	3.1
155.01041	11.5
155.08560	1.9
157.10159	1.6
158.07347	1.0
159.08090	4.7
159.11768	4.3
161.09673	3.3
171.08069	1.7
171.11615	2.4
172.08842	1.5
173.09637	22.8
173.13269	1.0
174.10211	1.3
175.11206	5.9
181.06505	1.2
181.10172	1.3
183.08064	1.2
183.11722	2.7
184.08884	2.5
185.09692	7.1
185.13301	1.9
186.10353	1.8
187.11229	3.9
187.14810	1.2
195.08090	2.0
195.11786	1.5
196.08902	1.4
197.09584	6.2
197.13278	1.4
198.10481	1.4
199.11195	6.6
200.11960	2.1
201.12701	1.4
206.10983	1.2
209.09729	3.3
209.13460	1.3
210.10544	2.2
211.11247	6.9
211.14899	1.4
212.12030	3.0
213.12807	5.5
215.14325	14.0
219.13834	1.0
222.10376	1.0
223.11171	3.1
223.14807	1.5
224.11987	2.9
225.12709	5.3
225.16301	1.6
227.14311	1.4
235.11049	1.2
237.12857	2.3
238.13541	2.8
239.14323	7.6
239.23676	1.6
241.15872	20.3
242.16510	1.0
245.13332	1.0
249.12886	2.0
250.13475	1.5
251.14302	1.3
253.15913	4.7
263.14240	1.2
265.15729	2.0
267.17526	2.6
268.18082	1.2
281.18915	5.9
289.15915	1.2
292.14703	1.8
293.18988	1.5
307.16974	16.8
317.15442	1.3
319.16965	3.9
331.17151	1.3
332.17709	1.7
333.18604	3.1
346.19293	1.4
347.23688	3.3
357.22055	1.9
375.23221	100.0
376.23596	2.9
393.24097	24.0
393.35333	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2423
Annotation	Methyl (9Z)-6'-oxo-6,5'-diapocaroten-6-oate
Peak:m/z	Relative Intensity
53.03935	1.2
55.01864	1.5
55.05510	7.6
57.07076	3.7
67.05502	6.8
69.03418	2.1
69.07069	4.2
71.04984	1.9
71.08628	1.7
71.56557	1.2
79.05498	10.6
81.03418	5.7
81.07061	8.9
83.04985	1.3
83.08627	4.7
91.05479	10.6
93.07040	7.2
95.04975	7.0
95.08597	6.5
97.06516	1.4
97.10151	1.7
98.98472	1.0
103.05478	0.7
105.07029	9.2
107.04968	2.6
107.08598	13.4
109.06516	2.0
109.10148	3.6
111.08067	0.9
113.00021	1.3
115.05460	1.4
117.07014	4.7
119.08595	11.0
119.18416	0.7
121.06520	3.4
121.10130	4.5
123.08080	1.7
123.11678	1.5
128.06155	0.9
129.06982	3.1
131.08557	4.1
133.06473	1.0
133.10132	6.5
135.08058	8.2
135.11652	1.0
137.09662	1.4
141.06938	1.1
142.07761	2.1
143.08572	3.7
144.09421	0.7
145.06529	1.7
145.10155	7.8
147.08043	5.7
147.11681	3.1
149.09641	2.6
155.01021	1.9
155.08597	2.2
156.09355	1.2
157.10124	7.6
158.07249	1.2
159.08040	6.0
159.11681	5.4
161.09636	5.8
161.13222	1.2
163.11162	1.2
165.09102	2.0
167.08522	1.4
168.09273	0.9
169.02589	0.9
169.10167	3.8
170.10971	1.1
171.08083	3.3
171.11710	3.6
173.09639	18.5
173.13281	1.9
175.11179	5.0
179.08603	0.7
180.09470	0.9
181.10100	2.8
182.10915	0.8
183.08104	0.9
183.11681	4.0
184.08789	2.3
185.09634	5.5
185.13301	3.3
186.10394	2.3
187.11177	4.9
187.14853	1.1
189.12720	1.3
193.10048	1.1
195.07983	1.1
195.11723	2.7
196.08856	1.7
197.09616	4.5
197.13220	3.1
198.10374	2.0
199.11195	6.6
199.14868	0.9
200.11951	1.4
201.12672	1.6
207.11722	1.8
208.12320	0.8
209.09683	1.9
209.13235	3.1
210.10416	1.3
211.11201	5.0
211.14790	3.6
212.11984	1.8
213.12720	5.7
213.16441	1.0
215.14346	9.1
219.11609	1.2
221.09567	0.8
221.13269	1.4
223.11188	3.2
223.14819	2.9
224.11870	2.2
225.12781	4.6
225.16411	1.6
226.13583	0.9
227.14307	2.5
231.13885	0.7
233.15411	1.2
235.11131	0.9
235.14813	1.1
237.12737	2.4
237.16344	1.3
238.13487	1.3
239.14366	3.7
239.18069	1.6
240.15146	1.7
241.15881	15.5
249.12680	1.4
251.14317	2.4
251.17989	1.0
252.15219	0.8
252.18771	1.5
253.15895	4.9
253.19511	2.0
259.11221	0.8
263.10718	1.1
263.14456	1.3
263.17969	0.9
265.15961	1.7
267.17496	1.9
273.12601	0.9
275.14188	1.0
275.20090	2.5
279.17264	1.4
281.16138	0.8
281.18881	4.4
286.19321	1.2
289.15875	1.0
291.14081	0.7
291.17343	0.9
292.14706	1.6
293.15469	0.9
293.21353	1.4
303.17334	1.0
304.14700	0.7
305.15552	0.9
307.16946	14.4
307.20264	1.1
317.15594	1.2
317.19098	1.8
319.16949	2.0
331.16672	1.1
332.17746	0.9
333.18448	2.8
333.22226	1.4
347.23737	2.3
357.22241	2.1
375.23187	78.9
376.23480	1.9
393.24225	100.0
393.34903	7.8
394.24561	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	393.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
53.77188	0.8
55.01868	1.5
55.05506	1.9
57.07071	3.7
67.05509	4.8
69.03444	1.7
69.07075	1.8
69.38893	4.1
69.39310	2.5
79.05492	5.5
81.03413	5.7
81.07055	4.1
83.04963	1.1
83.08623	1.1
91.05486	5.4
93.07059	5.6
95.04992	4.8
95.08611	4.4
97.06522	1.6
97.10214	1.0
98.98476	1.4
103.05425	1.2
105.07050	6.2
107.04945	2.4
107.08630	5.1
109.06525	2.3
109.10158	2.1
115.05508	1.1
115.15180	0.8
117.07011	3.8
119.08591	4.2
121.06508	4.1
121.10152	3.2
123.08083	1.2
123.11735	1.1
126.04693	0.9
128.07841	0.8
128.37064	0.9
129.07025	2.5
131.08574	4.6
133.06509	2.0
133.10141	3.7
135.08044	5.1
135.11745	1.2
137.09669	1.1
143.08589	3.2
145.06514	1.4
145.10185	4.9
147.08081	6.6
147.11710	2.5
149.09621	1.9
155.01041	1.7
155.08546	1.7
156.09428	1.1
157.06470	1.0
157.10152	2.9
158.11020	0.9
159.08075	5.9
159.11691	3.9
161.09648	5.7
169.10127	2.4
171.08038	3.7
171.11696	1.8
172.08875	1.8
173.09628	24.7
173.13213	1.7
175.11195	5.9
181.10162	1.2
183.08092	2.2
183.11705	2.3
184.08849	2.7
185.09660	7.3
185.13272	2.6
186.10486	1.2
187.09666	0.9
187.11179	5.2
187.14871	1.6
188.04076	1.0
189.12685	1.1
193.10158	1.7
195.08014	0.9
195.11760	1.8
196.08855	1.2
197.09654	6.8
197.13284	2.5
198.10437	2.9
199.11203	7.2
200.11954	1.9
201.12714	1.1
203.14323	2.2
209.09642	2.7
210.10518	1.5
211.11229	8.4
211.14882	1.3
212.12004	1.6
213.12712	5.7
215.14340	14.3
219.13780	1.1
223.11220	3.3
223.14861	1.3
224.11972	2.7
225.12695	5.4
226.13474	1.1
227.14252	2.6
231.13799	1.3
233.15349	1.2
235.11169	1.8
237.12756	3.4
238.13438	2.0
239.14250	5.8
240.15009	1.4
241.15924	21.9
249.12723	1.5
251.14398	1.6
251.18039	1.0
253.15869	6.1
260.11996	0.9
263.14252	1.6
265.15854	1.8
267.17383	3.0
278.12967	1.3
279.17633	1.0
281.19052	3.9
286.19235	1.7
289.15894	1.9
289.19339	1.1
291.13687	1.6
291.17010	1.3
292.14685	1.3
293.18790	1.4
303.13898	1.2
303.17398	0.9
307.17007	17.8
307.20660	2.9
317.15210	2.4
317.18744	1.0
319.16916	3.8
331.16840	2.0
333.18518	3.6
346.19077	1.7
347.23749	3.4
357.22153	1.3
365.24658	2.1
375.23215	100.0
376.23563	3.4
393.24219	40.3
394.24646	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01854	2.3
55.05497	3.7
55.07686	1.0
57.07068	1.5
61.08391	1.2
62.32968	1.0
63.52252	0.9
65.03932	1.1
65.20630	0.9
67.05506	8.8
69.03424	3.3
69.07075	4.6
69.58709	6.8
71.04994	1.7
79.05495	10.1
81.02995	1.1
81.03428	14.7
81.07069	10.0
83.04982	3.2
83.08636	1.7
84.50705	1.0
91.05489	13.3
91.10545	0.9
91.14234	1.1
93.07047	12.8
95.04973	14.0
95.08615	12.8
97.06509	3.2
105.07041	15.4
107.04964	5.8
107.08597	15.0
109.06510	8.5
109.10154	4.4
111.08069	3.4
115.05470	1.9
117.07034	5.1
119.08591	17.2
121.06512	7.5
121.10158	8.1
123.08068	3.8
123.11688	2.1
128.06216	3.1
129.07011	4.6
130.07782	1.1
131.04921	3.0
131.08591	10.9
133.06436	2.3
133.10132	14.3
135.08063	5.2
135.11664	1.9
137.09605	1.7
141.06995	1.8
142.07790	3.5
143.08556	10.6
145.06490	4.8
145.10136	14.4
147.08020	5.2
147.11684	5.5
149.09541	1.8
155.08580	7.1
156.09320	4.9
157.06522	1.4
157.10144	17.4
157.84624	0.9
159.08070	7.6
159.11713	11.0
161.09644	15.3
161.13229	2.7
163.11157	2.1
165.06972	1.3
167.08516	2.8
168.09349	2.3
169.10136	10.7
170.10930	2.2
171.08064	1.9
171.11705	17.0
173.09650	11.2
173.13306	5.1
175.11172	6.9
175.14796	1.6
179.08577	4.1
180.09300	2.8
181.10159	8.1
182.10902	3.6
183.11708	12.9
184.12456	2.2
185.09674	2.7
185.13242	10.8
187.11249	4.5
187.14790	2.4
189.12727	2.7
193.10162	5.6
194.10904	3.7
195.11725	12.5
196.12503	3.9
197.09592	2.0
197.13286	9.3
199.11177	7.7
199.12761	1.1
199.14828	9.5
201.12715	2.8
201.16405	1.2
203.14253	1.5
205.10028	2.4
206.10919	2.4
207.11769	7.2
208.12451	2.8
209.13277	12.1
210.13992	1.6
211.11136	2.7
211.14851	6.7
213.12749	6.4
213.16263	1.8
215.08543	1.0
215.14296	2.6
218.10915	1.1
219.11650	2.8
219.13643	1.3
220.12398	2.0
221.09644	1.3
221.13226	7.2
222.13989	2.1
223.11264	2.1
223.14857	10.8
224.15474	1.2
225.12700	2.8
225.16414	4.6
227.14296	3.7
229.16023	1.7
231.11772	1.8
231.13831	2.3
233.13213	3.0
233.15343	2.2
234.14029	2.0
235.14842	6.6
237.12755	2.5
237.16409	7.3
239.14276	4.1
239.17921	2.3
241.15891	1.6
243.11650	1.2
245.13257	2.1
246.14023	1.1
247.11133	1.1
247.14848	2.3
249.16371	3.3
251.14360	1.5
251.17892	6.4
253.15884	3.0
253.19478	3.2
261.12674	1.1
262.13681	1.0
263.14301	2.2
263.17944	3.8
265.16000	5.1
267.17380	2.4
269.19016	2.3
273.12668	1.3
275.17929	1.9
277.15848	3.5
279.17618	4.7
279.20328	1.0
281.18933	5.5
289.15851	1.8
291.17490	11.4
293.15833	2.1
293.18954	13.3
303.17233	2.1
305.18991	3.7
306.19846	1.1
307.16995	1.7
307.20441	1.7
315.17371	2.3
317.19019	11.3
318.19940	1.2
319.17191	1.8
319.20557	3.2
321.22137	9.7
325.21664	1.1
331.20569	6.4
332.21121	1.3
333.18396	2.6
333.22156	2.3
335.19962	1.7
337.07434	1.2
345.22162	12.4
347.23779	10.7
349.21646	15.8
357.22083	9.1
363.23129	3.5
375.23218	53.9
375.30728	2.0
393.24158	100.0
393.31952	8.6
394.24393	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2426
Annotation	Methyl (9Z)-6'-oxo-6,5'-diapocaroten-6-oate
Peak:m/z	Relative Intensity
51.84553	0.8
53.03939	2.5
55.01858	2.4
55.05502	2.1
57.07063	0.9
65.03953	0.9
67.05516	6.2
69.03437	4.5
69.07086	4.6
69.74075	3.6
71.04993	2.5
79.05496	9.4
81.02985	1.1
81.03425	13.8
81.07059	8.3
81.60598	0.8
83.04972	3.5
83.08525	1.0
85.10089	0.8
91.04970	0.9
91.05489	9.8
93.07037	14.1
95.04436	1.4
95.04984	14.1
95.08607	8.5
97.06514	3.0
103.05486	1.5
105.03397	3.2
105.04527	0.8
105.07042	13.1
107.04971	5.3
107.08604	9.2
109.06517	8.5
109.10149	2.1
111.08083	1.4
115.05497	1.8
117.07022	4.1
119.08585	11.8
121.06522	6.7
121.10124	6.3
123.04456	1.0
123.08064	2.9
123.11716	0.8
128.06215	2.9
129.06993	6.3
130.07806	1.6
131.04930	1.6
131.08568	9.0
133.06520	2.0
133.10141	11.7
135.08061	3.5
135.11664	1.9
137.09644	2.0
139.09306	1.0
141.06966	2.6
142.07791	4.1
143.08565	9.9
144.13860	0.8
145.06471	2.6
145.10130	9.8
147.08052	6.2
147.11685	3.8
149.09641	1.3
149.13268	1.4
155.08618	5.0
156.09354	5.0
157.10153	14.4
158.10945	0.9
159.08035	6.8
159.11720	8.6
161.09624	13.7
161.13246	2.7
165.07019	2.0
165.09125	1.1
166.07730	1.0
167.08592	3.6
168.09340	3.4
169.10110	9.6
170.10912	3.6
171.08072	2.7
171.11700	19.6
172.12415	1.0
173.09657	8.9
173.13251	5.5
175.11235	5.7
179.08557	3.2
180.09372	1.9
181.10143	7.2
182.10933	2.7
183.11714	12.6
184.12561	2.0
185.09624	3.6
185.13248	11.3
187.11256	2.7
187.14836	2.6
189.12791	2.3
192.09433	0.9
193.10094	6.4
194.10918	3.0
195.11723	9.5
196.12424	2.5
197.09528	1.0
197.13275	10.5
199.11230	4.9
199.13107	1.2
199.14832	9.6
201.12773	2.5
203.14343	1.7
205.10146	2.0
206.10994	1.9
207.11699	5.8
208.12503	3.0
209.09750	1.3
209.13255	10.5
210.14072	2.3
211.11192	3.0
211.14838	5.5
213.12755	3.9
213.16309	1.8
215.14313	2.9
217.10345	1.0
217.12299	2.1
219.11725	3.3
219.13773	1.3
220.12453	1.9
221.13271	6.3
222.14009	2.7
223.11177	2.6
223.14810	11.6
225.12766	3.3
225.16461	4.1
227.14262	2.1
227.18018	1.5
231.13853	3.6
232.12485	1.0
233.13307	4.2
234.14191	1.9
235.11258	1.5
235.14845	6.1
236.07942	1.0
237.12703	2.9
237.16368	5.2
239.14352	2.3
239.17966	1.8
241.15935	2.2
245.13281	2.1
247.14964	2.6
248.15619	2.1
249.12766	2.4
249.16414	4.3
251.14288	2.5
251.17982	6.1
253.15831	4.8
253.19527	2.7
261.16385	1.5
263.14285	3.3
263.17938	5.5
265.15869	4.1
267.17441	3.6
269.18954	1.3
271.17026	2.3
273.16379	1.1
275.14355	1.3
276.15009	1.1
277.15878	3.9
278.16595	1.1
279.17358	5.5
281.15982	1.3
281.18942	5.2
287.14569	1.0
289.15970	1.2
289.19504	2.2
291.17450	12.5
293.18988	15.5
293.22235	1.1
299.20148	1.8
301.16052	1.9
303.17551	2.2
305.19080	3.1
306.19647	1.4
307.16953	2.3
307.20410	2.0
311.20081	1.2
315.17319	3.4
316.52948	1.0
317.18985	10.1
318.19794	2.3
319.17007	2.1
319.20547	2.8
321.22113	12.0
331.20493	6.7
333.18460	2.9
333.22153	2.6
335.20242	1.2
345.22168	12.4
347.19955	1.0
347.23743	12.9
349.21671	16.2
357.22104	12.1
362.99451	0.9
363.23187	3.9
365.24918	1.9
375.23218	53.2
376.23734	1.8
393.24246	100.0
394.24750	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01866	2.6
55.05509	2.3
57.03428	1.3
65.03938	0.9
67.05508	6.2
69.03428	2.8
69.07065	3.6
69.23896	6.2
71.04984	1.3
76.47791	0.8
79.05493	7.8
80.52951	0.9
81.03420	10.1
81.07059	5.9
83.04984	2.3
83.08610	1.3
85.06528	0.8
87.78789	0.8
90.63354	0.9
91.05492	8.6
93.07041	8.5
95.04972	12.6
95.08610	8.2
97.06531	2.7
105.04516	0.8
105.07033	10.4
107.04957	5.7
107.08603	8.9
109.06509	5.4
109.10159	2.9
115.05469	1.6
117.00304	0.7
117.07003	3.6
119.08578	11.2
121.06493	4.5
121.10166	5.2
123.08064	3.6
125.09648	0.8
128.06197	1.7
129.06122	0.8
129.06944	4.2
130.07738	1.0
131.04950	1.2
131.08571	7.1
133.06514	1.9
133.10136	10.4
135.08051	4.2
137.09682	1.0
141.07036	1.6
142.07793	3.4
143.08571	8.8
144.17955	0.8
145.06482	2.7
145.10103	9.0
147.08057	7.4
147.11679	3.2
149.09605	2.5
153.06984	0.8
155.08574	4.7
156.09377	4.6
157.10146	10.8
158.07184	0.9
159.08060	6.6
159.11697	8.1
161.09628	8.2
161.13287	1.5
163.11249	1.0
165.07034	1.8
166.07819	1.2
167.08568	2.7
168.09361	1.4
169.10135	9.0
170.10870	3.1
171.08041	2.1
171.11696	13.4
173.09619	8.9
173.13307	5.2
175.11232	5.2
175.14894	1.0
178.07791	1.0
179.08553	4.5
180.09351	2.3
181.10127	6.9
182.10883	3.2
183.08124	1.2
183.11705	12.1
184.12492	1.1
185.09677	3.2
185.13240	9.0
187.11195	3.2
187.14891	2.1
189.12776	1.0
192.09386	1.2
193.10120	6.7
194.10947	2.9
195.11684	8.8
196.12448	2.2
197.09645	1.5
197.13284	8.2
199.11238	3.4
199.14824	6.9
201.12683	1.6
203.08542	0.9
203.14381	1.5
205.10150	1.5
206.10887	2.3
207.11732	3.8
208.12479	3.1
209.09750	1.5
209.13261	10.6
210.14046	1.7
211.11151	2.7
211.14888	4.6
213.12756	3.9
213.16389	1.2
215.14343	2.1
217.10196	1.8
217.12158	1.2
219.11690	2.5
219.13727	1.0
220.12489	1.9
221.13196	5.4
222.14000	2.3
223.11205	2.2
223.14822	9.2
225.12775	2.9
225.16231	3.9
227.14299	2.2
227.18040	1.4
229.10103	1.1
230.11069	1.1
231.11685	1.1
231.13774	1.7
232.12410	1.2
233.09659	1.2
233.13266	3.2
234.14148	1.1
235.11192	1.8
235.14891	5.4
236.15565	1.5
237.12769	2.8
237.16374	3.2
239.14313	2.4
239.17973	1.9
241.15901	1.7
244.12411	0.9
245.13275	1.4
246.14235	1.2
247.11139	1.6
247.14917	2.1
248.12048	0.9
248.15802	1.0
249.12729	2.6
249.16438	2.9
251.14413	2.1
251.17873	3.6
253.15892	3.1
253.19560	2.2
254.16690	1.1
259.14935	1.2
261.16342	2.0
262.13602	0.9
263.14352	3.3
263.17932	2.9
264.15201	1.3
265.15912	3.6
265.19543	1.0
267.17508	1.9
273.16214	1.9
275.14450	0.9
275.18127	1.3
277.15872	2.3
279.17484	3.9
281.15649	0.8
281.19067	4.2
287.14413	1.7
287.17740	0.8
289.16019	1.2
291.17435	8.6
293.18964	10.7
299.14453	1.1
299.20078	1.8
301.15851	2.1
303.17487	2.6
305.19037	2.2
307.17108	1.4
307.20502	1.9
315.17627	2.7
317.18991	9.0
318.19647	1.7
319.16962	2.0
319.20612	2.7
321.22104	10.0
325.21832	0.9
331.20663	4.9
333.18481	2.5
333.22134	3.4
335.20264	1.0
342.19687	1.1
345.22119	10.7
347.19702	1.2
347.23685	11.2
349.21628	13.8
349.25662	1.1
357.22098	10.4
363.23318	2.1
365.24710	1.4
375.23196	49.6
376.23517	1.3
393.24249	100.0
394.24689	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	393.2423
Annotation	Methyl (9Z)-6'-oxo-6,5'-diapocaroten-6-oate
Peak:m/z	Relative Intensity
53.03934	2.0
55.01857	2.4
55.05518	3.5
57.03417	0.8
65.03943	0.9
67.05506	6.5
69.03431	4.9
69.07057	3.3
69.07372	0.5
69.80106	2.3
69.80511	1.2
71.04980	1.9
76.59834	0.7
79.05489	7.6
81.02988	0.8
81.03420	11.2
81.07057	8.0
83.04960	2.5
84.95438	0.6
91.05481	8.9
93.07044	10.2
95.01258	0.7
95.04973	13.4
95.08609	9.3
97.06521	3.4
98.21574	0.7
103.05484	1.0
105.07036	11.4
107.04964	5.4
107.08601	9.3
109.06528	7.9
109.10147	4.0
111.08083	2.0
115.05447	1.4
116.06202	1.3
117.07018	4.8
117.18846	0.6
119.08572	12.0
121.06516	5.2
121.10130	5.0
123.08062	2.8
127.05434	0.6
128.06261	3.0
129.07005	4.3
130.07712	1.0
131.04887	2.0
131.08572	7.0
133.06444	2.3
133.10124	10.4
135.08061	4.3
135.11668	1.5
137.09673	0.7
141.06993	2.2
142.07809	3.3
143.08565	8.2
144.09311	1.3
145.06506	3.4
145.10133	10.2
147.08034	5.4
147.11705	3.1
148.73561	0.6
149.09587	2.0
153.06992	1.7
154.07733	1.4
155.08575	6.6
156.09323	5.3
157.10143	12.9
158.10822	1.1
159.08066	6.1
159.11687	7.2
161.09607	12.9
161.13263	1.1
163.11159	1.0
164.29105	0.6
165.06998	2.3
165.09081	1.4
166.07806	1.0
167.08530	2.6
168.09338	1.8
169.10138	10.6
170.10922	4.0
171.08029	2.5
171.11702	15.6
173.09633	10.0
173.13304	4.3
175.11192	5.4
175.14822	0.8
178.07803	0.7
179.08588	4.0
180.09337	2.1
181.10146	7.6
181.26186	0.6
182.10887	3.5
183.07982	0.9
183.11691	12.0
184.12457	1.2
185.09598	2.4
185.13245	11.1
187.11136	4.0
187.14833	2.9
189.12773	1.8
192.09344	2.0
193.10104	4.8
194.10896	3.7
195.08063	0.8
195.11696	11.9
196.12468	2.8
197.09616	1.6
197.13255	9.5
199.11206	5.0
199.14828	8.1
201.12753	2.6
201.16379	0.8
203.14337	1.0
205.10112	1.9
206.10899	2.2
207.11703	5.6
208.12473	3.6
209.09598	2.1
209.13272	10.0
210.13997	1.4
211.11182	2.8
211.14815	5.5
212.11914	0.7
213.12740	5.5
213.16338	1.1
215.14333	2.4
217.12155	1.4
218.10851	1.0
219.11809	3.3
219.13608	0.8
220.12488	2.9
221.09695	0.7
221.13232	6.4
222.14005	1.5
223.11163	2.6
223.14819	8.9
224.15636	0.8
225.12743	2.7
225.16386	4.4
227.14259	1.9
227.17995	0.8
230.10960	1.4
231.11650	1.5
231.13759	2.2
232.12428	0.8
233.13268	3.5
233.15279	1.1
234.14029	2.4
235.11208	1.1
235.14815	5.7
236.15584	1.8
237.12733	1.9
237.16315	3.8
239.10312	0.7
239.14291	2.6
239.17932	1.5
241.15848	1.4
245.13237	1.8
247.11143	1.4
247.14786	2.2
248.11871	0.9
248.15604	1.0
249.12816	2.2
249.16409	3.4
251.14342	2.9
251.17961	5.8
253.15822	3.2
253.19531	3.3
255.14049	0.6
255.17395	1.0
257.13202	1.1
259.14804	1.0
261.12943	1.1
261.16211	1.3
262.13602	1.3
263.14337	2.6
263.17853	3.5
264.15088	0.8
265.15845	4.8
265.18710	0.7
266.16589	0.6
267.13550	0.8
267.17499	3.2
269.19275	0.8
271.17087	1.5
273.16467	1.0
275.14319	1.1
275.17914	0.7
276.15237	0.8
277.15863	3.5
277.19299	1.1
279.17355	3.6
281.18909	5.8
287.14423	1.4
287.18033	1.0
289.15903	1.5
289.19052	0.8
291.17416	11.9
293.18948	12.5
299.20010	1.4
301.15796	2.0
302.16525	0.8
303.17343	1.6
305.18872	3.1
306.19550	1.3
307.16919	1.7
307.20401	1.1
309.18585	0.8
311.20193	1.0
315.17413	2.5
316.18100	0.9
317.18967	10.1
318.19717	1.5
319.16852	2.0
319.20529	2.5
321.22064	9.0
331.20560	6.8
332.21173	1.5
333.18307	2.2
333.22128	2.0
335.20068	1.8
345.22116	14.9
347.19940	1.2
347.23706	12.6
349.21643	17.6
357.22067	9.5
363.23349	3.7
365.24835	1.5
375.23181	52.3
376.23419	1.5
393.24216	100.0
394.24475	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
54.31669	0.6
55.05514	21.0
57.03429	0.7
64.73131	0.6
67.05492	2.7
69.03088	0.7
69.03425	3.1
69.07068	1.1
70.06600	0.9
71.05009	1.0
71.56091	1.1
79.05521	1.2
81.03424	2.8
81.07056	2.3
83.08623	37.6
83.11460	0.8
85.02900	3.9
85.06535	1.8
86.09705	3.0
87.00826	2.4
91.05476	1.6
93.07048	2.4
95.04932	1.1
95.08592	2.4
97.02893	2.5
99.04434	1.5
105.01889	0.8
105.07030	1.4
107.04936	0.8
107.08581	1.7
107.13599	0.8
109.02843	1.5
109.06544	0.7
109.10154	1.7
119.08593	1.7
120.08077	1.4
121.06532	0.8
121.10142	1.6
122.06039	1.1
125.09557	0.6
127.03934	2.9
127.11198	100.0
128.11578	1.1
129.07048	0.7
131.08612	0.8
135.11766	0.8
137.05951	0.8
143.08556	0.8
145.05029	0.7
145.10124	1.0
145.12224	4.3
149.13249	1.3
152.01714	0.9
157.10153	0.7
170.09671	0.6
177.12794	0.8
196.07578	1.2
198.09262	1.6
199.08687	1.7
213.10333	4.4
215.11760	1.6
227.08197	2.6
227.11848	1.6
241.09715	12.8
242.10501	13.1
243.11304	1.9
255.11334	5.3
256.12073	12.3
257.12845	3.1
283.10776	6.1
284.11539	5.3
285.12378	1.5
292.54031	0.7
301.11798	7.4
302.12619	6.8
303.13376	1.5
315.08066	1.3
333.08951	1.2
347.10574	2.6
357.09302	1.2
363.18005	0.8
375.10062	3.4
375.27145	1.0
393.11090	9.7
393.19144	0.8
393.23859	0.9
393.28360	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	393.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.6
55.01874	4.0
55.05502	3.7
56.80177	1.9
57.03434	5.5
57.07074	2.4
61.02939	2.1
67.05492	5.9
69.03435	29.2
69.07075	100.0
69.97205	2.4
70.06606	3.7
70.29671	2.3
70.80112	2.0
70.84625	4.2
71.05010	10.4
72.08157	2.6
73.02924	2.5
79.05509	5.0
81.03423	29.8
81.07066	3.4
83.04981	3.1
84.08125	3.3
85.02435	4.4
85.02914	65.3
85.06543	4.3
86.02540	2.0
86.06067	3.5
86.09705	4.1
87.08117	30.7
91.05460	5.1
93.07050	2.6
95.04981	2.2
95.08584	2.1
97.02898	55.8
98.85351	2.3
99.04464	37.9
103.03954	48.3
105.07032	5.9
107.04958	3.3
107.08602	4.0
109.02898	28.5
109.10184	4.8
111.04488	4.0
115.03922	2.2
115.07575	43.2
119.08611	2.0
120.08109	6.2
123.08042	2.3
125.05929	2.3
127.03935	92.7
127.07594	2.5
129.09154	3.0
131.08586	2.3
133.10103	2.5
145.04961	21.7
151.03923	5.2
159.11632	3.1
163.06128	3.0
166.25580	2.3
167.07118	2.6
171.10208	5.9
183.10179	4.3
187.05989	11.4
195.10187	4.2
196.10506	4.5
197.08099	3.2
198.29498	2.0
213.11182	13.2
231.12225	3.7
253.07060	2.7
271.08130	4.9
273.10641	3.5
273.13330	33.0
291.14432	4.0
357.15271	3.1
393.16467	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	393.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	2.0
57.03428	0.4
61.02901	0.7
63.10122	0.4
69.03087	0.4
69.03438	5.5
69.79175	1.8
69.79583	0.8
70.06562	1.7
73.02920	0.4
75.44710	0.4
81.03391	0.6
82.99837	1.1
84.04488	0.5
84.96038	0.5
85.02921	2.9
86.99324	0.8
97.02889	1.4
98.05992	0.6
98.21503	0.5
98.97588	4.6
99.04404	0.5
101.00282	0.5
101.00893	6.0
105.00365	0.6
106.76711	0.4
109.02888	0.6
110.97562	1.2
112.99162	0.5
113.00873	0.5
116.07080	2.9
116.98623	1.4
117.03961	0.5
119.01923	4.2
124.99048	0.5
127.00678	0.6
127.02449	1.4
127.03898	0.9
128.98601	0.8
131.01895	0.8
133.03539	0.5
141.03969	4.3
143.00139	1.2
143.01915	6.6
143.05571	0.9
145.01712	0.6
145.03519	5.9
145.04781	0.9
155.01900	2.3
158.99675	1.6
159.05049	9.1
161.01349	0.8
161.02972	4.2
161.06616	0.6
163.04500	1.3
167.05582	2.0
169.03473	27.6
170.03499	0.5
170.99619	0.5
171.03380	0.4
171.05017	1.2
172.97691	0.4
173.02969	1.7
173.06619	0.5
174.99278	0.6
177.00653	0.6
177.05540	0.8
183.05083	0.8
185.01262	0.6
185.02960	0.9
185.06619	9.9
187.04543	100.0
188.04745	1.8
199.04543	1.5
201.06117	1.4
203.02301	1.2
203.04063	2.0
203.05882	0.5
203.07736	1.6
205.05600	7.9
210.06155	1.5
211.04694	0.6
213.06090	0.6
215.07706	0.5
217.05524	0.9
219.01796	2.1
221.05148	2.8
223.04633	0.8
229.05608	32.4
231.07190	1.4
237.02864	1.6
243.07175	1.9
245.03160	0.4
247.06694	11.9
261.08231	2.8
263.04242	0.6
265.07663	0.9
271.06778	3.0
273.02719	0.5
273.08310	1.1
289.07782	11.5
291.09277	0.6
293.10925	0.4
305.05655	0.9
307.09027	4.6
333.10312	0.7
351.09921	0.6
375.11465	0.7
393.12497	16.9
394.13278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86117	0.7
55.05499	1.5
56.05030	3.8
65.94769	0.7
67.05510	5.1
69.03430	1.1
69.07057	2.7
69.49624	1.5
69.50026	3.9
70.06605	6.6
71.05005	0.9
71.08636	0.9
72.08157	3.6
79.05495	6.1
81.07056	24.6
83.04961	1.0
83.08638	1.2
84.08141	2.1
85.06546	4.3
91.05485	7.1
93.07056	10.8
95.04966	1.3
95.08601	6.8
95.53221	0.7
97.06543	1.0
97.10099	0.9
98.20731	1.1
102.09163	1.0
105.07027	11.4
105.75983	0.8
107.08589	13.5
109.06512	2.7
109.10162	4.5
117.07034	2.2
119.08591	8.6
120.08124	1.6
121.06498	1.5
121.10154	5.8
123.08055	2.0
123.11697	1.1
125.09634	1.4
128.06168	0.9
129.07004	1.6
129.10248	0.9
131.08571	4.1
133.10132	8.5
135.08060	19.8
135.09097	1.1
135.11673	6.2
136.06143	1.0
137.09612	3.2
143.08585	3.8
145.10098	6.7
147.08034	2.1
147.11700	7.0
149.02332	2.2
149.09604	2.8
149.13261	2.8
150.02737	1.1
151.11166	1.5
157.10141	4.3
159.08119	0.7
159.11691	8.6
161.09702	1.8
161.13225	6.7
163.11229	1.9
169.10179	1.2
171.11693	3.8
173.09778	0.8
173.13228	4.7
175.11194	2.3
175.14832	2.4
177.12907	1.2
179.08609	0.7
183.11745	1.4
185.13277	3.4
187.11145	1.3
187.14833	2.7
189.12766	2.2
197.13332	1.0
199.14790	4.0
201.12869	1.7
201.16385	1.6
202.07886	0.7
203.14287	1.2
209.13327	1.1
210.13992	0.9
211.14886	1.3
213.12895	0.9
213.16382	3.8
215.14360	2.0
215.17838	0.9
217.15916	1.1
223.14807	1.5
225.16374	1.2
227.14331	0.8
227.17873	0.9
229.70361	0.8
231.17520	1.1
239.18015	1.1
241.15880	1.8
255.21111	1.9
257.18985	2.8
263.13931	1.0
269.22620	1.4
271.20538	5.6
279.21082	3.6
285.22165	1.4
297.22131	21.2
314.24789	22.8
315.23190	6.2
374.26901	67.7
392.27957	100.0
393.28366	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2794
Annotation	Sachaconitine
Peak:m/z	Relative Intensity
52.86117	0.7
55.05499	1.5
56.05030	3.8
65.94769	0.7
67.05510	5.1
69.03430	1.1
69.07057	2.7
69.49624	1.5
69.50026	3.9
70.06605	6.6
71.05005	0.9
71.08636	0.9
72.08157	3.6
79.05495	6.1
81.07056	24.6
83.04961	1.0
83.08638	1.2
84.08141	2.1
85.06546	4.3
91.05485	7.1
93.07056	10.8
95.04966	1.3
95.08601	6.8
95.53221	0.7
97.06543	1.0
97.10099	0.9
98.20731	1.1
102.09163	1.0
105.07027	11.4
105.75983	0.8
107.08589	13.5
109.06512	2.7
109.10162	4.5
117.07034	2.2
119.08591	8.6
120.08124	1.6
121.06498	1.5
121.10154	5.8
123.08055	2.0
123.11697	1.1
125.09634	1.4
128.06168	0.9
129.07004	1.6
129.10248	0.9
131.08571	4.1
133.10132	8.5
135.08060	19.8
135.09097	1.1
135.11673	6.2
136.06143	1.0
137.09612	3.2
143.08585	3.8
145.10098	6.7
147.08034	2.1
147.11700	7.0
149.02332	2.2
149.09604	2.8
149.13261	2.8
150.02737	1.1
151.11166	1.5
157.10141	4.3
159.08119	0.7
159.11691	8.6
161.09702	1.8
161.13225	6.7
163.11229	1.9
169.10179	1.2
171.11693	3.8
173.09778	0.8
173.13228	4.7
175.11194	2.3
175.14832	2.4
177.12907	1.2
179.08609	0.7
183.11745	1.4
185.13277	3.4
187.11145	1.3
187.14833	2.7
189.12766	2.2
197.13332	1.0
199.14790	4.0
201.12869	1.7
201.16385	1.6
202.07886	0.7
203.14287	1.2
209.13327	1.1
210.13992	0.9
211.14886	1.3
213.12895	0.9
213.16382	3.8
215.14360	2.0
215.17838	0.9
217.15916	1.1
223.14807	1.5
225.16374	1.2
227.14331	0.8
227.17873	0.9
229.70361	0.8
231.17520	1.1
239.18015	1.1
241.15880	1.8
255.21111	1.9
257.18985	2.8
263.13931	1.0
269.22620	1.4
271.20538	5.6
279.21082	3.6
285.22165	1.4
297.22131	21.2
314.24789	22.8
315.23190	6.2
374.26901	67.7
392.27957	100.0
393.28366	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71998	0.6
53.03962	0.8
55.05508	2.9
56.05038	4.1
67.05508	3.8
69.03444	1.5
69.07070	1.6
70.06596	5.8
72.08162	1.0
78.92466	0.6
79.05502	6.2
81.06580	1.2
81.07063	22.9
83.04993	1.2
83.08622	0.6
84.08163	1.0
85.06554	2.7
91.05482	6.0
93.07043	9.3
95.04970	0.8
95.08618	6.9
97.06554	1.1
105.07033	8.4
107.08609	10.4
109.06504	2.2
109.10142	5.0
111.08066	1.2
116.07127	0.6
117.07027	2.8
119.08589	9.7
120.08132	0.9
121.06521	1.7
121.10157	7.1
123.08075	1.8
123.11761	0.9
125.09657	1.4
128.06169	0.7
129.07039	1.5
129.10069	0.7
131.08562	5.0
133.10149	7.0
135.08058	20.9
135.11731	5.0
136.06200	2.7
137.05991	1.5
137.09613	2.1
141.38524	0.7
143.08580	2.4
145.10133	6.0
147.08008	1.3
147.11699	4.8
149.02364	2.2
149.05925	0.7
149.09601	2.0
149.13261	2.6
150.02612	1.0
151.11160	1.5
155.08611	1.0
157.10133	4.9
159.11723	7.9
161.09660	2.6
161.13277	7.0
163.11180	2.6
169.10097	2.2
171.11653	3.5
173.09657	1.1
173.13292	5.1
175.11224	2.2
175.14867	2.2
183.11713	1.7
185.13255	2.7
187.14914	2.9
189.12776	2.5
195.11778	0.8
197.13235	1.7
199.14719	4.1
201.12723	1.3
201.16432	2.0
203.14384	2.0
207.11522	0.8
209.13243	0.9
211.14871	1.8
213.16364	3.0
215.14337	2.0
217.16003	1.6
223.14815	1.4
225.16376	1.2
227.14258	1.1
229.15886	0.9
231.17470	2.6
239.17999	1.6
241.15816	0.9
253.19424	0.8
255.17467	1.0
255.21060	2.2
257.18967	3.5
263.13937	1.1
269.22681	1.7
271.20621	6.0
279.21188	3.8
285.22092	2.0
297.22131	21.1
314.24792	19.4
315.23181	6.0
374.26941	56.8
392.23486	3.9
392.27972	100.0
393.18896	2.0
393.28430	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01869	1.4
57.03425	1.9
59.34697	0.8
60.55482	0.9
61.02918	2.3
66.37077	0.9
68.87760	0.8
69.03429	3.5
69.07053	1.5
69.58951	6.1
70.06587	2.9
71.05001	1.1
72.08126	1.1
79.05499	4.9
81.03411	3.7
81.07059	1.8
82.06584	1.4
84.04508	1.5
85.02911	14.0
86.06079	1.4
91.05476	2.6
93.07072	0.9
95.04950	1.6
95.08580	1.0
97.02894	4.3
97.06517	1.2
99.04422	1.4
100.07626	8.4
103.03975	1.1
103.05470	3.8
105.01885	0.9
105.07039	4.0
107.04959	35.7
107.08604	2.0
108.05266	1.0
109.02903	2.3
109.06566	1.1
111.22768	0.9
111.34948	1.0
115.05454	3.2
116.07083	2.8
119.04893	1.0
119.08617	1.0
120.05767	1.0
120.08097	3.0
121.06499	1.6
121.08455	1.5
121.10148	1.2
123.04460	1.2
124.05213	0.9
126.03705	0.9
127.03945	5.3
131.04918	1.4
135.08038	12.7
137.05992	9.8
138.06331	5.0
144.04869	0.9
145.02904	1.3
145.04964	1.9
145.06535	1.0
145.07585	1.6
147.04362	1.0
149.02345	1.0
149.05984	4.3
149.09624	2.3
150.02679	1.2
150.06403	1.1
151.03943	3.0
151.07532	3.9
154.06253	2.0
161.06006	2.2
162.06357	1.8
163.06125	1.1
163.07547	32.6
167.07045	86.7
177.05450	3.6
177.09073	1.6
180.07825	2.5
181.08696	1.0
195.06479	1.8
195.10172	39.6
213.11226	100.0
222.06645	1.1
230.11835	1.3
239.06737	1.3
254.08916	3.8
271.09305	1.1
273.11334	2.3
274.11511	1.6
286.11609	1.4
312.09409	2.0
342.10550	1.4
356.12064	1.2
362.13184	1.7
374.12943	2.2
375.12112	1.6
392.22604	2.9
407.57300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25675	1.2
55.01883	2.7
57.00134	1.3
57.03233	1.2
57.03444	12.8
57.07072	2.4
58.99594	7.7
65.03951	2.0
66.06974	1.1
67.05516	2.1
69.03429	4.1
70.06589	2.5
71.04987	2.3
71.54281	1.7
72.08153	5.0
74.09733	1.3
76.02235	43.8
78.69254	1.1
79.05494	6.6
81.03409	2.6
81.07063	1.6
83.06097	3.1
84.04511	25.3
84.08148	6.6
85.02900	9.1
85.06075	1.6
85.06553	21.2
85.86369	1.0
86.09705	2.6
86.99031	2.5
87.02715	1.3
88.02237	2.5
89.00594	3.0
91.05499	8.6
92.05824	3.6
93.07072	5.7
95.04992	1.9
96.08160	1.2
97.02880	3.1
98.06087	2.7
99.02692	6.6
99.04457	1.4
102.05551	2.1
105.07045	3.3
107.04285	1.8
107.04952	14.3
107.07866	2.0
107.08601	36.7
109.02885	2.0
109.06512	2.5
111.04482	1.3
112.03989	1.7
116.01694	12.3
116.07098	2.0
117.03725	87.0
117.07002	1.7
119.08580	2.8
121.10158	15.4
123.04407	2.2
123.08060	9.6
125.04221	2.5
125.05939	1.2
127.03914	2.6
129.06596	4.5
130.05020	15.1
131.08592	5.7
135.04439	3.4
135.08073	5.9
137.05983	3.2
142.03255	3.2
142.06889	7.0
142.08630	3.3
143.05276	4.6
144.01138	6.0
144.04787	2.3
145.04999	1.2
149.02364	4.6
149.06035	2.3
149.09631	86.4
153.05486	1.5
153.09142	1.3
159.08049	1.8
160.07935	21.2
162.02229	25.4
165.15469	1.3
167.07043	2.3
167.10652	2.1
177.05556	1.7
177.09114	29.4
179.04861	20.5
187.00725	1.1
187.05347	1.4
195.06519	4.9
195.10187	85.5
202.05347	1.8
207.21405	1.3
213.07643	2.3
213.11214	12.0
230.13977	3.1
233.05884	4.0
245.09576	100.0
246.07979	5.1
263.10641	11.0
317.11652	15.5
392.15207	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	391.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13857	0.9
50.79694	0.9
53.03942	3.3
55.05511	10.7
57.07072	9.7
59.17581	0.9
66.67307	0.9
67.05506	10.7
67.73692	1.0
69.03421	1.1
69.07067	12.6
69.40044	1.0
70.25729	0.9
71.08635	8.2
79.05489	11.2
81.03415	2.6
81.07054	30.2
83.04964	1.6
83.08630	8.2
84.50230	0.9
85.06516	1.1
85.10184	3.6
85.13588	1.0
91.05479	14.9
93.07045	14.8
95.04967	13.4
95.08600	13.4
97.06537	1.8
97.10163	5.0
98.20700	1.9
103.05463	2.6
105.04507	1.0
105.07026	28.8
107.04971	2.2
107.08594	13.5
109.06514	4.3
109.10155	7.7
111.11717	2.8
115.05444	1.9
117.07017	8.0
119.08585	19.7
121.06504	2.8
121.10132	10.5
123.08099	1.4
123.11704	3.8
125.09649	1.2
128.06221	4.2
129.07007	8.2
130.07788	2.8
131.08565	11.5
133.06403	1.2
133.10121	9.1
135.08025	1.4
135.11696	3.7
137.09656	1.1
137.13261	1.7
141.06982	4.0
142.07784	10.0
143.08562	16.0
144.09341	2.0
145.06482	2.2
145.10120	19.5
147.08081	3.5
147.11703	6.5
149.02347	11.8
149.09665	1.6
149.13255	2.1
153.06956	2.4
154.07793	1.9
155.08559	18.7
156.09319	4.3
157.10124	37.7
159.08049	4.0
159.11656	13.0
161.09630	5.2
161.13249	1.7
165.06996	7.6
166.07777	2.6
167.03352	1.5
167.08582	7.7
168.09366	3.9
169.10112	13.3
170.10873	2.1
171.08026	1.2
171.11694	11.6
173.09634	4.8
173.13260	7.8
175.11179	2.2
175.14763	1.3
178.07848	1.2
179.08521	6.2
180.09308	9.7
181.10127	15.8
182.10913	5.7
183.11682	21.0
185.09679	1.9
185.13303	8.7
187.11237	1.3
187.14758	2.7
191.14281	1.8
192.09332	1.7
193.10138	7.4
194.10924	6.4
195.11688	49.8
196.12447	3.8
197.09598	1.3
197.13274	17.6
199.11137	1.6
199.14893	5.9
201.12666	1.0
205.10124	1.8
206.10951	3.3
207.11717	7.3
208.12492	4.6
209.13255	29.9
211.11241	1.3
211.14809	10.7
213.16385	2.3
217.10226	1.3
219.11609	2.7
220.12488	2.4
221.13231	6.6
222.10533	1.2
222.14125	2.7
223.11311	1.4
223.14813	15.0
225.12825	1.2
225.16432	3.4
227.14229	1.6
227.17851	1.3
231.11639	2.5
233.13193	2.5
233.15314	1.5
234.14131	2.2
235.14867	7.7
236.15565	3.1
237.12715	1.4
237.16374	25.4
239.17973	3.8
243.11580	1.5
245.15485	1.2
247.14755	2.9
249.12685	1.5
249.16495	4.6
250.17117	3.2
251.17950	12.4
252.18745	2.2
253.19525	3.3
259.14734	1.7
261.16379	2.4
263.17920	3.4
264.18771	1.4
265.19577	3.0
267.17365	2.0
269.18887	1.3
272.70905	1.0
273.12845	1.2
273.16257	1.1
275.14648	1.0
275.17789	1.8
277.19455	1.3
278.20428	1.3
279.17664	1.4
279.21100	5.9
282.19791	2.6
287.18164	1.1
289.19550	1.2
291.17523	2.1
291.21054	2.0
293.19315	2.0
293.22601	4.8
295.20679	2.1
299.17752	1.7
307.24216	2.2
317.18985	1.9
331.20621	2.4
335.20001	1.6
349.28690	1.3
355.70303	1.1
363.30579	1.5
373.21225	1.6
373.25232	4.9
391.22159	6.2
391.26111	28.2
391.33563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11515	0.6
53.03942	1.2
55.01862	2.1
55.05265	1.2
55.05513	13.6
57.03431	1.8
57.07065	2.5
58.77845	0.6
59.05004	5.9
61.02921	0.8
67.05494	2.6
69.03432	21.2
69.07071	3.4
69.31315	6.2
70.06570	1.1
71.01340	0.8
71.04989	1.8
71.08627	1.7
72.08142	0.9
73.02901	2.4
79.05493	2.2
81.03421	7.2
81.07064	3.4
83.04974	2.9
83.08620	52.5
84.08132	0.9
85.02908	39.5
85.41668	0.6
87.04478	1.8
87.41925	0.6
91.05495	3.3
93.07042	2.7
95.04980	1.7
95.08607	2.2
97.02884	6.7
97.06527	2.7
97.10184	12.2
98.21560	1.4
99.04453	4.0
101.05996	0.9
101.09660	4.7
105.07012	3.2
106.51540	0.6
107.04932	1.0
107.08590	5.9
109.02872	8.3
109.06538	2.0
109.10149	1.6
111.08092	2.3
117.07017	1.5
119.08614	3.2
120.08143	0.8
121.02840	0.9
121.06539	0.9
121.10110	2.2
123.04391	1.6
123.08040	0.7
123.11739	0.9
125.06036	0.9
125.09634	56.0
127.03922	9.1
127.07539	1.1
131.04994	1.2
131.08539	1.5
133.06476	0.8
133.10156	1.4
135.07977	0.7
135.11671	0.8
137.09599	1.0
143.10678	100.0
144.11044	0.7
145.04976	6.0
145.06097	0.9
145.10121	1.6
147.06534	0.8
147.08018	1.2
149.02359	14.5
149.09613	1.1
153.05458	1.1
153.09123	0.9
154.56938	0.7
155.08514	0.8
157.10109	1.2
159.11665	0.7
161.05960	0.9
161.09599	1.0
163.03864	0.8
165.09070	1.0
167.03427	2.2
167.10709	1.0
173.13208	0.7
179.10712	0.9
183.11769	0.9
185.08134	1.8
185.09737	0.9
187.05963	1.0
189.05627	0.7
191.10536	0.8
203.09082	1.4
251.12764	1.3
269.13754	4.3
287.14883	21.0
327.12363	0.9
328.14560	0.7
359.12421	1.2
378.22711	0.6
391.14331	1.3
391.18619	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.7
55.05501	4.9
57.03424	1.3
57.07072	3.5
62.19818	1.3
62.36061	1.1
67.05493	4.2
68.67262	1.0
69.03420	5.5
69.07075	2.3
70.06587	1.4
70.24854	4.2
71.04995	4.2
71.08641	2.7
73.02921	1.9
73.49645	1.1
77.35001	1.3
79.05486	4.6
81.03430	6.3
81.07048	4.8
82.43012	1.2
83.04981	3.8
83.08625	1.5
84.08144	1.5
85.02900	8.2
88.04010	1.6
90.87267	1.1
91.05472	3.4
93.07030	4.6
95.04981	3.2
95.08597	3.2
97.02921	2.5
97.06528	9.1
99.04461	5.2
103.03954	9.3
103.05499	1.7
105.07024	4.6
107.04940	1.9
107.08595	3.4
107.56956	1.2
109.02914	8.1
109.06547	1.6
109.10128	1.9
110.13525	1.2
111.04465	1.8
119.08629	1.7
121.06520	2.3
121.10172	1.7
123.08117	1.6
123.11733	1.7
125.09678	1.7
127.03925	17.0
129.07018	1.9
131.08531	3.3
133.10185	2.2
135.08020	2.2
135.11671	1.6
137.05988	2.3
143.08568	1.7
145.04994	2.0
147.11697	2.6
149.02357	21.8
157.10194	2.8
159.11739	2.2
165.05521	1.2
167.03398	3.3
167.07140	1.8
171.05510	10.0
173.07164	2.8
185.07112	2.5
186.07895	4.7
187.06042	2.4
195.05539	4.5
197.07133	10.1
211.16856	1.8
213.06613	11.3
214.07373	3.1
215.08199	14.3
222.17180	1.3
225.06580	2.9
225.10355	1.7
226.07416	3.6
227.08124	4.2
229.12221	1.5
229.14392	4.4
245.09424	2.1
249.10254	3.9
257.62006	1.5
267.11319	12.8
271.07169	4.2
273.12357	3.4
279.11499	1.3
285.12354	89.6
286.12424	1.3
289.08057	2.1
289.10999	2.0
295.10742	3.8
297.12347	33.9
303.11551	2.0
313.11703	3.9
315.13419	28.4
323.10355	2.9
331.12390	1.3
341.11346	72.1
343.11447	1.2
359.12393	100.0
377.13449	39.0
391.14603	5.2
391.22592	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78510	6.0
70.78857	4.7
70.81811	2.9
73.54058	3.1
85.02882	4.7
85.06125	2.8
109.07068	2.6
143.01926	5.3
147.04497	4.4
151.79065	3.2
167.41766	3.1
177.05443	4.3
190.67661	2.9
206.59039	3.3
221.04892	2.8
262.30475	3.0
305.06152	3.7
306.01688	3.7
307.32565	3.4
371.11414	3.8
381.35117	3.5
391.10007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2171
Annotation	Debiloside B
Peak:m/z	Relative Intensity
55.05500	6.6
58.88501	2.0
61.02911	2.2
66.65948	2.4
67.05500	9.2
69.03447	15.1
69.07084	14.8
71.05009	10.8
79.05508	11.1
81.03416	6.0
81.07068	19.7
83.04978	7.2
83.08646	6.0
84.08176	2.3
85.02915	12.2
85.06548	5.0
91.05486	4.2
93.07050	18.6
95.04959	3.4
95.08636	15.4
97.02892	7.1
97.06519	3.9
97.10180	8.2
99.04459	9.5
105.07033	10.7
107.08600	28.9
109.06535	4.9
109.10172	14.3
111.08089	6.4
115.07579	3.5
117.07069	2.3
119.08588	5.3
121.06502	4.9
121.10162	10.7
123.08083	5.2
123.11706	5.5
125.09658	15.8
125.13404	2.1
127.03851	4.0
131.08592	5.7
133.10149	8.7
135.08073	11.4
135.11671	3.7
137.09669	4.2
141.69595	2.2
145.04922	3.2
145.10089	3.1
147.11699	7.1
149.09628	8.2
149.13307	5.0
151.11160	7.2
153.09143	4.7
163.14871	11.0
165.12788	3.2
167.10695	2.7
173.13295	17.5
191.14301	27.2
209.15392	33.3
227.16435	100.0
249.13466	2.2
266.63641	2.2
274.20450	2.4
381.43045	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	389.2168
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
55.05516	7.2
56.90887	7.8
67.05540	7.5
69.03450	11.8
69.07072	9.4
69.54903	46.1
71.04988	8.1
79.05506	13.0
81.07061	18.0
83.04969	11.7
83.08643	6.6
85.02906	15.1
91.05511	14.7
93.07043	26.2
95.08608	23.4
97.06607	8.6
97.49377	6.0
99.08094	13.6
102.34963	7.7
105.07036	17.9
107.08596	42.5
109.10152	21.9
119.08607	12.4
120.53390	6.4
121.06503	20.7
121.10134	40.1
123.08070	18.9
131.08592	12.7
133.10127	20.6
135.08052	18.5
135.11632	8.0
147.11729	11.4
149.09630	76.5
149.13271	12.0
151.11195	21.9
151.26268	6.9
152.94031	6.6
163.14839	30.6
173.13255	23.2
178.07501	6.8
181.95610	6.5
191.14285	80.7
191.15561	6.7
192.07401	6.7
194.14513	7.7
209.15375	100.0
227.16409	13.1
301.30106	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	389.2171
Annotation	Debiloside B
Peak:m/z	Relative Intensity
51.27666	2.9
53.03949	3.1
55.01870	3.8
55.05500	7.3
56.30289	2.7
57.03423	6.3
58.16090	2.6
59.40141	2.7
61.02902	4.6
67.05502	10.5
69.03435	18.2
69.07079	15.5
71.04993	15.3
71.09178	6.1
73.02914	4.3
79.05516	13.2
81.03419	10.2
81.07056	25.3
83.04961	7.9
83.08615	5.4
84.08096	3.4
85.02913	23.3
85.06551	5.1
87.04494	3.1
91.05478	6.5
93.07047	21.8
94.19711	2.8
95.08614	21.2
97.02895	10.6
97.06503	8.7
97.10156	5.8
99.04442	14.0
105.07021	11.9
107.04950	4.5
107.08607	38.0
108.30147	2.7
109.02883	5.6
109.06513	5.7
109.10166	16.1
111.08057	9.2
117.06931	2.8
119.08570	11.4
121.06549	6.7
121.10145	15.4
123.08071	9.0
123.11712	4.9
125.06033	3.7
125.09643	17.5
127.03909	6.3
131.08603	13.9
133.10141	14.8
135.08064	10.0
135.11641	4.2
137.09598	4.1
139.11150	3.0
145.04938	5.2
145.10153	3.6
147.11728	7.0
149.09642	9.5
149.13251	11.0
151.11185	8.7
153.09123	4.9
161.13304	3.1
163.14839	19.0
165.12782	4.3
173.13297	28.8
191.14316	36.2
209.15359	40.7
227.16420	100.0
342.18701	3.0
389.13403	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	389.2171
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03933	3.4
54.99238	2.3
55.01876	4.8
55.05508	9.2
57.03426	4.9
61.02917	3.3
67.05506	11.9
69.03436	16.5
69.07068	12.1
70.39266	7.7
71.04983	6.9
72.08155	8.8
79.05478	12.2
81.03424	7.3
81.07055	37.1
83.04976	9.4
84.04501	4.0
84.08098	2.3
85.02905	26.1
85.06549	10.7
86.09725	6.4
87.44330	2.1
91.05495	14.3
93.07043	24.9
95.04984	6.6
95.08607	27.9
97.02895	6.9
97.06528	11.1
99.04462	4.5
99.08077	7.7
101.06027	2.4
105.07034	20.6
107.04949	5.9
107.08598	68.7
109.02881	5.8
109.06522	12.6
109.10141	17.9
111.08085	7.7
116.01664	2.3
117.06977	4.0
119.04936	6.7
119.08578	14.1
120.05289	4.2
121.06497	11.0
121.10148	31.8
123.08089	14.8
125.06006	2.6
125.09624	5.9
127.03899	9.3
131.08563	18.3
133.02904	6.2
133.10126	35.0
135.08087	13.0
135.11720	9.3
137.05995	5.9
137.09619	8.9
139.07530	2.3
139.11163	11.7
141.05481	6.4
141.09108	4.5
145.05011	3.3
145.10124	8.4
147.04445	19.9
147.11678	13.7
148.04764	23.1
149.09612	15.7
149.13269	40.1
151.11195	19.9
153.09146	4.9
161.13298	5.2
162.02194	3.4
163.11160	3.0
163.14801	21.4
165.12811	3.0
167.07092	3.3
167.10684	9.5
167.14378	2.1
171.11707	2.7
173.13264	35.1
178.79305	2.3
179.14323	4.0
191.14322	76.5
192.79608	2.0
193.05002	21.1
209.12115	2.4
209.15385	51.2
211.11621	3.5
215.14311	2.8
227.16432	100.0
243.08377	2.4
246.13326	2.4
263.07397	3.0
265.09851	2.3
285.09445	3.3
291.06445	2.7
293.08997	2.8
303.10510	44.6
336.29657	2.3
389.13928	64.4
389.22766	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	389.1595
Annotation	(-)-Simulanol
Peak:m/z	Relative Intensity
50.26507	2.5
55.01881	23.6
55.05506	4.2
59.43315	2.2
61.02927	2.8
64.22683	2.1
65.03941	6.4
66.90881	2.3
67.05506	9.8
69.03432	8.3
69.07074	4.0
69.25739	2.3
69.57454	8.2
69.57877	7.9
79.05492	10.3
81.03416	6.4
81.07078	13.3
83.04997	3.0
83.08590	3.1
85.02908	18.1
91.05495	9.3
93.04510	2.7
93.07051	8.2
95.04979	10.8
95.08616	9.2
97.02913	4.7
97.06528	9.6
98.20805	4.1
103.05476	9.6
105.07038	6.7
107.04971	10.9
107.08604	13.4
109.02935	4.0
109.06538	3.7
109.10163	3.7
111.04436	4.2
115.05431	4.7
117.07035	6.9
119.08616	3.6
121.06511	4.5
121.10123	7.0
122.03636	5.0
123.04432	10.4
125.05984	4.4
127.03960	6.6
128.06250	4.1
128.93115	2.4
129.07004	16.2
129.53253	2.3
131.04939	15.6
131.08606	15.1
133.06493	2.9
133.10164	5.5
135.08167	3.6
135.11728	2.9
137.05989	44.1
137.09718	2.4
139.03949	4.0
141.07050	5.6
142.10492	2.7
143.08562	4.1
145.05042	3.0
145.06468	5.5
145.10097	4.4
147.11699	2.7
149.05992	8.1
149.09641	2.9
149.13150	2.9
151.03897	6.3
151.07545	6.2
153.05438	5.2
157.06537	13.0
158.07278	3.2
159.08051	6.0
160.05215	3.8
163.07559	8.0
163.11050	2.5
163.14807	7.3
167.07051	19.6
169.06537	4.3
170.07220	3.0
171.06551	7.4
173.06001	3.3
173.13287	10.8
174.06818	21.6
175.07547	13.6
177.05507	23.3
181.04984	52.6
181.06496	5.9
183.06509	13.9
186.06813	3.4
187.07521	6.8
188.08350	3.9
189.09103	42.8
189.10742	3.5
191.07025	3.9
191.10722	3.7
191.14369	10.1
201.09074	14.3
205.08658	3.2
207.10098	2.5
208.18530	2.3
209.08101	33.6
209.15408	8.0
217.06520	4.8
217.08556	4.4
218.07396	6.5
219.08153	7.3
219.10153	100.0
221.08025	2.8
227.16411	12.0
231.07980	3.5
233.09572	3.4
234.06734	7.6
235.07520	5.6
235.09659	3.5
241.09814	6.7
246.06749	3.7
247.07571	3.7
248.08336	2.8
249.09151	8.9
250.09935	3.4
255.11230	6.4
260.08273	3.1
261.09076	11.7
263.07205	3.8
263.10434	2.9
277.08536	25.6
278.09219	4.2
279.10178	6.4
280.10620	3.7
281.11646	3.1
283.10748	9.0
283.13611	2.6
283.17255	2.2
290.09229	3.2
293.08463	3.9
293.11670	5.2
306.08966	3.5
307.09628	6.5
309.11224	9.4
311.09961	3.0
321.11279	9.2
325.10538	2.8
326.11450	2.7
329.11209	19.1
339.12317	33.8
343.15536	2.6
357.10779	10.8
359.14807	3.4
371.14948	47.3
389.16211	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1425
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
53.41446	1.3
55.01861	2.3
57.03430	2.0
65.03938	1.8
67.05512	3.3
69.03433	5.3
69.07065	2.3
69.65368	1.6
70.06581	2.8
70.33444	5.0
71.04965	1.7
71.54939	1.3
73.02895	5.0
74.02427	1.5
79.05503	6.3
81.03416	3.5
81.07044	7.3
83.04975	4.1
84.04510	2.0
84.08151	3.4
85.02902	11.0
85.06559	1.6
86.09698	6.1
87.04451	1.6
91.05476	14.5
92.05799	1.3
93.07053	3.3
95.04955	7.2
95.08590	5.5
96.08128	2.5
97.02891	3.6
97.06519	2.2
99.04437	2.0
103.05449	1.4
105.07051	4.6
107.04960	1.7
107.08601	5.0
109.06541	2.7
109.10195	2.9
111.47901	1.4
113.87845	1.2
114.05544	1.7
116.01694	4.1
119.08587	2.9
121.06538	1.5
121.10142	2.7
123.08056	4.2
124.07581	14.8
125.09600	2.2
127.03887	5.1
131.08543	2.9
133.02847	1.8
133.10130	3.9
135.08014	2.3
135.11739	2.0
137.05984	3.5
140.04698	6.5
145.05013	2.8
147.04460	2.1
147.11591	1.5
153.09131	5.0
155.07047	11.7
155.10634	3.5
161.02867	1.4
162.02177	2.3
163.14882	1.6
165.05409	1.4
173.13245	2.7
178.02554	2.0
179.14322	2.3
181.04910	11.9
181.06039	1.1
191.14330	2.5
193.04951	14.1
209.08116	3.0
209.11589	3.0
209.15370	12.9
210.11423	1.7
211.11592	3.2
227.09137	24.9
227.12604	3.2
227.16397	6.0
245.09872	1.5
291.06351	2.4
303.10513	30.5
305.10931	2.2
327.14191	4.8
329.12219	2.4
375.89148	1.4
389.14081	100.0
389.17963	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01863	0.9
55.05509	1.1
61.02917	0.8
67.05494	1.6
68.05023	0.8
69.03424	2.2
69.07082	1.5
69.42625	0.8
70.06599	1.4
70.99904	1.5
71.04999	0.9
72.08163	4.1
73.02914	1.5
73.97009	0.8
79.05490	1.6
81.03451	4.3
81.07043	1.8
83.04977	1.4
84.08146	1.4
85.02915	6.5
85.06561	1.0
86.09720	7.3
91.05468	2.4
93.07040	1.9
95.04961	2.5
95.08595	1.4
97.02893	2.6
97.06541	1.7
98.65340	0.9
99.04437	1.3
100.07617	1.3
105.07034	2.2
107.04987	1.2
107.08628	1.2
109.02880	3.3
111.04453	1.0
116.01672	0.9
119.08556	1.8
121.10123	1.2
123.08075	2.4
124.07568	2.4
126.03124	2.4
127.03948	4.6
129.10208	1.1
130.05040	0.9
131.08598	1.5
133.02879	1.9
133.10217	1.1
137.05988	2.8
141.05476	96.4
145.04947	0.9
149.09610	1.0
153.09125	0.9
155.07057	1.6
161.05920	1.6
165.05508	2.2
167.07111	4.4
167.10620	1.2
168.07419	2.0
169.07542	1.9
173.13145	1.3
177.05534	0.8
179.14293	1.3
180.18922	1.0
181.04964	2.3
191.10593	0.9
191.14339	1.0
193.04976	7.2
201.12395	0.9
209.11522	3.0
209.15369	2.4
211.11545	1.2
227.09105	3.3
227.12675	2.5
227.16296	3.8
243.08499	1.3
245.10065	2.1
273.33682	0.9
303.10519	14.5
305.10812	1.4
327.14032	5.3
329.12079	1.2
348.97629	1.0
389.14032	100.0
389.17935	74.7
390.14404	2.4
390.18600	1.1
393.31735	1.2
404.55359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0846
Annotation	(S)-(+)-Chelonin B
Peak:m/z	Relative Intensity
52.83026	3.0
64.61121	3.5
67.29866	3.2
69.03426	4.1
70.06586	3.3
72.08179	3.6
75.32213	3.1
84.08155	4.8
85.02914	10.4
90.09755	3.9
96.50210	3.3
97.02930	4.4
98.20811	8.1
98.97620	8.8
101.16508	3.3
101.60814	3.6
107.58736	3.6
110.34130	3.1
112.05087	3.9
113.07085	4.9
183.62474	3.0
215.13788	3.5
227.13881	5.9
238.09019	3.4
345.09531	7.3
389.08298	100.0
390.08093	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	389.1441
Annotation	Syringoxide
Peak:m/z	Relative Intensity
50.49345	2.2
54.79669	2.0
55.01872	5.5
55.05510	2.5
57.03414	3.4
67.05506	4.7
69.03426	8.3
69.07066	4.7
70.59959	3.8
73.02919	22.2
79.05482	4.9
81.07078	10.7
83.04991	2.7
85.02910	15.8
86.09707	5.4
88.86205	2.2
91.05483	3.1
93.07038	6.7
95.04955	5.6
95.08607	7.8
97.02872	5.0
97.06551	4.5
97.75740	2.1
99.04441	2.7
101.78395	2.2
105.07050	7.0
107.08594	5.6
109.02886	4.6
109.10143	4.8
117.07015	3.4
119.08586	3.2
121.10139	4.6
123.04415	4.5
124.07632	2.7
127.03850	6.4
131.08607	3.2
133.10103	3.7
135.11671	2.7
137.06033	3.5
138.03221	2.9
138.77165	2.2
140.04695	29.2
145.04941	2.9
147.11668	5.0
155.07025	49.4
155.10602	5.0
173.13277	5.5
179.07109	3.1
181.04965	55.4
181.08456	2.9
191.14325	7.1
193.04973	11.6
209.08047	12.7
209.15367	12.9
211.11650	3.0
227.09151	100.0
243.08296	3.0
291.06421	3.2
303.10507	75.0
315.12106	2.4
389.14093	88.1
389.17981	26.4
409.36212	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	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37556	2.0
55.05513	4.2
57.03443	2.7
67.05494	5.3
69.07058	3.9
71.04992	17.1
79.05498	4.1
81.03429	3.2
81.07058	5.9
83.04967	3.1
83.08603	2.8
85.02930	5.1
85.06543	10.2
91.05477	7.7
92.79024	2.1
93.07031	10.8
95.04980	4.4
95.08601	12.2
97.06524	17.7
98.20725	5.5
100.07614	6.7
105.07046	12.8
107.08603	21.0
109.06528	5.5
109.10120	4.1
111.08073	4.0
119.08601	9.7
121.10147	29.2
127.03905	2.7
131.08585	6.5
133.10135	100.0
135.08064	15.1
137.05978	3.0
145.10135	5.9
147.11711	16.9
149.09674	3.7
149.13248	18.4
156.05795	2.0
158.10893	2.8
173.13252	26.0
191.14311	98.1
225.53230	2.2
229.03835	2.3
243.75371	2.1
296.10141	3.3
304.18848	2.1
311.61993	2.3
338.11191	3.0
352.28555	2.5
356.12350	3.5
388.19455	11.4
388.25095	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01862	5.8
55.05493	2.7
57.03421	5.9
60.23933	1.7
61.02917	4.2
69.03431	34.4
71.04974	4.8
71.55573	2.3
73.02896	7.2
79.05502	2.0
81.03419	21.4
81.07025	2.6
82.06625	2.7
85.02911	100.0
87.00834	39.7
91.03969	2.8
91.05460	5.1
95.04955	5.1
97.02896	35.0
99.04451	14.8
103.03947	3.0
105.01876	72.4
105.07042	13.8
107.08572	2.7
108.04453	3.8
109.02885	29.0
109.06503	2.7
109.10159	2.3
115.03921	2.3
117.01847	2.4
119.87299	1.7
123.08065	2.8
125.05842	1.7
127.03928	73.0
129.01830	2.9
131.08406	1.7
133.10156	16.0
135.08165	2.2
137.06026	4.0
137.09584	8.0
138.06250	2.3
145.04970	39.1
159.02892	14.8
177.05330	1.8
179.14497	1.6
189.03937	4.0
191.14343	7.5
209.15350	4.1
213.03970	4.6
231.05046	29.7
231.09975	2.0
249.06174	10.7
250.15208	2.6
369.15881	2.0
370.10071	3.1
370.26022	2.3
382.79642	1.9
388.11270	4.2
388.16162	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	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03104	1.2
52.70678	1.1
53.03951	5.7
54.22613	0.9
55.01878	9.3
55.05510	2.3
57.03441	6.7
61.02928	6.2
67.05487	1.8
68.99783	2.6
69.03432	32.3
69.07068	2.4
70.06596	3.1
71.04987	5.7
71.55834	1.3
72.08155	1.6
73.02919	7.6
75.46414	1.0
79.05478	3.3
81.03423	22.8
81.07058	3.7
83.04991	1.1
83.08628	2.2
84.04492	1.6
84.08166	1.8
85.02911	100.0
86.09716	1.3
87.00304	2.2
87.00837	42.1
91.03977	1.5
91.05484	1.9
93.07039	3.2
95.04973	3.6
95.08603	1.8
97.02900	30.2
97.06541	2.2
98.09720	1.0
99.04463	15.1
103.03957	1.0
105.01873	66.6
105.07040	16.6
106.07338	1.8
107.04937	1.6
107.08598	2.0
108.04473	4.4
109.02898	26.2
116.10751	2.9
116.22668	1.0
117.01900	1.9
119.08595	3.8
120.08931	2.5
121.06564	1.3
121.10120	1.4
122.01942	0.9
123.08097	2.6
124.08388	1.9
125.09702	1.3
126.05547	1.7
127.03926	69.5
129.01866	3.8
131.04875	1.5
133.10120	2.1
136.08415	1.1
137.06007	5.3
138.06268	1.4
143.08588	1.2
145.04967	37.6
145.10147	1.2
147.02928	2.8
147.11673	1.7
148.12090	2.3
159.02885	12.9
165.12737	1.6
166.13141	2.6
167.07071	1.7
186.13516	1.1
189.03957	3.5
201.11336	1.2
207.06432	1.8
207.13823	2.5
208.14168	4.4
213.03990	2.6
213.09090	1.8
214.13065	2.2
226.15144	1.9
231.05020	26.2
231.10132	2.2
248.07611	2.0
249.06090	11.1
250.15123	1.8
274.15454	1.1
285.08667	1.3
313.08331	1.7
344.26727	1.7
370.25827	2.0
388.11020	2.1
388.15771	3.1
388.20053	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	388.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81790	0.8
57.03420	1.1
57.03870	0.9
69.03423	2.8
70.06605	1.2
70.79988	1.9
71.04993	1.3
71.34213	0.9
78.42703	1.0
79.05482	2.7
81.07056	2.3
82.06558	2.3
83.04980	2.6
85.02888	2.3
87.32626	0.8
91.05474	1.4
93.07048	1.9
95.04966	1.7
95.08612	2.9
97.06519	1.5
99.08141	1.2
104.10744	1.0
105.07034	9.7
107.08591	3.4
109.02880	1.6
109.06507	1.2
109.10152	1.7
116.10764	1.8
119.08565	1.6
120.04465	1.5
121.10138	3.7
123.08095	1.0
125.09640	1.6
127.03951	1.4
131.04948	0.9
133.06564	1.4
133.10126	1.5
135.04433	1.1
135.08015	1.9
135.11726	1.1
137.05952	1.5
137.09625	1.3
140.04980	1.8
142.06558	1.2
146.08041	1.1
147.11646	1.1
149.13251	1.5
151.11197	7.2
155.06047	12.3
161.06000	1.3
162.10013	1.2
163.14784	1.0
167.06053	3.2
167.07219	2.2
168.06944	1.8
169.07616	26.0
170.05923	2.0
173.13260	1.6
179.06017	10.2
179.07382	1.1
181.05247	1.6
181.07509	2.1
182.08376	1.3
183.05553	13.6
183.09193	1.7
185.07133	7.8
191.14320	6.8
192.06900	0.9
193.03883	1.1
193.07585	10.4
194.06059	2.4
195.03763	1.4
195.05525	26.0
195.09105	1.0
196.06299	12.0
197.07124	20.0
198.05516	3.6
201.06488	1.8
207.05536	6.8
208.06367	1.3
209.07071	2.8
209.15363	14.5
210.07822	1.0
211.05042	2.8
211.08585	5.2
213.06587	16.5
217.08545	1.2
221.07068	15.2
223.04979	1.6
225.06580	37.1
226.14301	1.2
227.08249	1.8
229.06123	12.5
237.06590	3.6
238.07339	2.0
239.04611	1.6
239.05678	1.1
239.08173	21.1
241.06044	2.4
243.07632	5.5
249.06561	7.3
253.06096	11.1
257.05536	6.6
265.06076	1.8
267.07654	12.4
269.05545	3.0
271.07126	22.6
277.06064	9.5
282.08966	1.9
283.07327	1.3
285.06140	0.8
285.08698	28.4
295.07153	26.6
313.08182	34.3
324.09781	3.8
328.09283	44.6
329.09851	1.0
331.09238	4.3
338.19370	1.3
342.10764	2.1
370.05603	2.2
370.10324	52.5
388.11377	100.0
388.19366	3.0
389.11862	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2014
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03938	7.3
53.87513	5.2
55.01854	6.3
55.05498	11.5
57.03419	6.1
61.02909	4.7
65.03926	4.9
67.05501	25.9
69.03432	26.3
69.07065	6.1
70.06592	6.3
70.96705	4.1
70.99870	10.9
71.04987	22.6
78.50475	4.2
79.05461	18.4
81.03429	24.1
81.07061	31.1
83.04976	12.5
83.08617	15.1
84.08089	5.0
85.02906	49.3
86.09707	6.9
91.05492	21.1
93.05376	5.2
93.07047	23.4
95.04991	27.7
95.08608	20.3
97.02886	30.2
97.06524	12.0
99.04463	50.8
103.05442	6.3
105.07038	30.1
107.04921	16.2
107.08587	37.5
109.02871	14.8
109.06515	33.0
109.09467	7.5
109.10159	100.0
111.04427	7.6
111.08103	6.4
119.08550	24.7
120.04469	92.7
121.04807	56.8
121.06499	12.3
121.10145	20.4
123.04411	7.4
123.08099	39.5
123.11702	18.8
125.05976	5.0
125.09624	13.5
127.03938	22.7
129.06943	6.5
131.04962	4.8
131.08559	13.1
133.10121	19.2
135.04440	5.1
137.06000	26.3
137.09595	20.1
138.05510	10.2
139.03928	8.7
143.08508	7.1
145.04993	6.7
145.06430	6.5
145.10136	9.6
147.04333	5.0
147.08124	6.2
147.11700	19.2
149.09615	18.4
151.07538	41.6
157.10101	8.6
159.08110	6.5
160.76903	4.6
161.09619	30.2
163.07498	6.7
163.11179	18.4
165.09113	7.2
165.12761	43.5
167.06960	26.4
167.10666	24.3
171.11700	9.2
179.03407	4.3
179.10779	6.1
181.04922	8.9
181.12267	6.2
181.43550	4.4
183.13811	13.9
189.09106	7.3
189.12788	24.5
191.07135	4.4
193.12210	9.3
197.49512	4.2
207.10281	8.6
207.13817	89.4
211.13191	7.0
217.50519	5.5
219.10057	6.7
225.11263	6.6
225.14845	49.5
230.72389	4.6
235.07332	8.2
249.14845	9.9
271.05862	7.9
327.09253	5.5
338.94647	4.7
339.12320	5.5
357.13416	8.4
369.13559	11.0
369.18958	6.8
387.14465	16.8
387.20059	21.8
388.11072	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	387.2013
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03652	1.6
53.03926	4.0
55.01873	2.6
55.05525	4.4
57.03424	4.0
59.04989	2.8
61.02925	10.1
65.03928	2.2
67.05505	8.3
69.03433	28.7
69.07075	4.7
70.88923	5.2
71.04986	5.7
72.61958	1.8
73.02904	2.9
79.05510	9.5
81.03429	9.8
81.07059	14.3
83.04960	3.4
85.02911	40.7
85.06529	2.6
87.04475	3.5
91.03960	1.8
91.05482	6.8
93.07047	15.1
95.04956	12.5
95.08615	12.1
97.02903	15.3
97.06532	5.1
99.04462	5.4
105.07038	29.4
107.04955	2.4
107.08619	13.7
109.02875	3.7
109.06521	8.2
109.10170	12.4
111.08081	5.1
117.07035	2.5
119.08590	23.2
121.06503	6.6
121.10140	27.9
123.04472	8.9
123.08096	7.4
127.03907	10.5
131.08554	5.2
133.06500	3.4
133.10136	32.1
135.08058	5.3
135.11697	5.1
137.05989	21.1
137.08664	3.2
137.09630	36.7
145.04982	7.0
145.10162	4.6
147.08041	5.1
147.11700	25.7
149.09641	10.9
151.07523	4.0
151.11203	2.9
155.10725	4.9
156.09355	3.3
159.11679	3.9
161.13274	22.1
163.11195	6.6
165.12740	15.1
167.07069	2.8
171.11688	8.3
174.10408	4.7
177.12749	4.9
179.14331	8.2
189.12755	36.3
207.13806	100.0
209.15413	2.1
225.12628	2.4
225.14853	44.3
387.14365	13.6
387.20114	24.2
409.34778	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2016
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
53.03942	2.3
53.55080	1.6
55.05496	2.0
57.03433	4.2
57.07074	2.8
61.02920	4.3
67.05523	7.6
69.03090	1.9
69.03436	30.3
69.07053	4.2
69.68806	9.4
71.04969	2.1
78.58620	1.4
79.05481	4.7
81.03427	10.9
81.07062	13.1
83.04967	2.9
85.02911	100.0
86.09663	2.8
87.04488	2.5
91.05463	5.3
93.07034	6.2
95.04955	2.5
95.08153	1.5
95.08611	17.6
97.02896	12.5
97.06520	2.5
99.04418	4.1
105.07034	16.0
107.04929	2.1
107.08580	6.0
109.02885	4.4
109.06509	5.6
109.10166	17.6
111.04424	1.9
119.08588	22.0
121.06461	2.1
121.10149	15.4
123.08047	4.5
123.11722	51.3
125.05998	34.2
127.03925	12.0
131.08546	3.2
133.06496	4.0
133.10179	7.5
135.11687	13.7
137.05951	2.2
137.09625	6.7
137.13275	3.2
139.07538	5.4
139.11194	2.6
145.04939	3.6
145.10121	5.6
147.08055	3.8
147.11708	17.3
149.09622	22.0
151.07489	9.8
159.11758	1.8
161.13264	23.5
163.07440	2.0
163.11127	1.9
165.12758	4.6
167.07022	2.6
167.10674	1.7
171.11685	6.0
174.10344	2.4
177.12680	2.9
179.14388	2.9
189.12766	35.7
207.13812	77.0
216.25934	1.7
225.14865	60.6
247.83699	1.7
271.51978	1.6
333.17017	9.5
351.18011	18.4
369.19064	8.5
387.20175	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2012
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
50.09389	4.4
67.05505	24.0
69.03416	11.8
70.90003	8.5
70.90313	5.8
81.07044	12.8
85.02902	36.2
85.06528	15.4
93.07055	8.3
95.08617	91.6
97.02914	8.9
105.07047	11.3
107.08595	9.2
109.10200	8.3
112.28239	5.1
113.05987	10.6
119.08575	22.0
121.10152	12.5
123.08067	34.8
123.11713	32.5
125.06030	6.4
135.11673	14.4
141.99030	5.9
147.11687	18.3
149.09608	36.2
151.07539	6.2
151.14877	5.4
161.13271	11.0
163.11203	11.0
165.12749	9.8
189.12724	21.4
207.13832	100.0
225.14870	18.3
273.69351	4.3
333.16934	10.2
351.18079	17.9
369.19086	6.5
387.15570	9.8
387.20184	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	387.144
Annotation	SCHEMBL3183521
Peak:m/z	Relative Intensity
55.01866	2.0
55.05509	1.9
56.10827	1.5
69.03419	2.2
69.07087	2.1
70.05148	5.2
79.05485	5.3
79.74817	1.6
81.03408	4.4
81.07063	4.1
83.04987	2.1
91.00249	1.8
91.05488	4.5
93.07017	3.3
94.04204	3.2
95.04973	2.2
95.08603	2.2
97.06541	2.8
103.05475	3.9
105.07039	3.6
107.04944	2.1
107.08610	3.2
109.02892	9.7
109.06557	1.9
115.05463	3.6
117.07037	1.9
119.04912	2.7
119.08588	3.0
122.03650	8.4
123.04436	1.8
127.04002	2.1
133.06470	4.4
137.05981	100.0
139.03909	3.1
143.08632	1.5
145.06453	4.5
147.04395	2.6
149.05989	2.0
151.03903	4.9
153.05518	2.0
161.05980	4.2
165.07133	1.6
167.07039	6.4
173.05898	3.7
175.07465	1.9
177.05609	1.7
177.07030	2.0
181.04956	6.0
186.03148	2.2
189.05534	2.0
189.07021	1.7
191.07037	3.9
193.08615	2.2
194.07327	2.7
201.05475	14.7
203.07021	3.9
205.06454	9.2
206.07288	2.1
207.06531	4.2
217.06544	2.3
219.08105	3.0
219.10040	2.4
221.05974	3.1
221.08049	2.6
222.06787	4.9
231.06461	3.1
233.06001	6.9
234.06764	6.8
237.09183	7.4
239.06898	1.9
243.10106	4.9
245.06046	1.8
247.07526	2.1
248.08379	1.6
249.09102	2.8
250.06204	7.9
251.06947	2.4
252.07733	1.9
261.05655	1.8
262.06290	4.6
263.06909	2.1
264.07825	3.1
265.08658	17.4
266.09427	2.8
268.07309	2.0
277.08630	6.1
278.05780	3.7
279.06442	2.0
279.10104	1.7
287.07245	1.7
290.05692	3.6
292.07227	5.5
293.08044	12.1
294.08752	2.3
295.09631	4.7
297.07639	3.0
297.11188	6.8
305.08163	5.4
307.09686	20.4
309.11206	4.8
310.08484	1.8
325.10721	59.3
327.12225	5.8
337.10687	15.3
343.11795	2.8
355.11649	2.7
357.13504	7.1
369.13242	4.5
387.14362	11.0
387.18787	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	17.1
57.07062	47.7
57.82618	11.9
65.11906	10.9
69.07059	32.8
69.47263	100.0
71.08627	35.5
79.57324	13.6
81.03437	11.8
81.07020	32.0
83.08607	32.9
85.10179	35.8
91.05494	19.7
93.07033	12.0
95.08600	34.6
97.10179	18.7
98.20705	13.9
105.07019	14.6
107.08624	18.5
109.10130	28.3
111.11739	22.4
119.08607	21.1
121.10129	15.7
125.13280	13.1
130.04967	14.1
133.10149	19.4
146.68575	12.8
147.11685	22.3
165.12729	14.1
165.74469	12.8
183.13818	20.1
184.51271	12.1
197.15355	30.6
227.52304	12.7
267.23282	14.7
305.28259	33.6
323.29401	54.4
369.24188	20.1
386.29767	37.6
386.39847	49.5
387.25226	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01869	1.3
55.05507	1.3
56.96570	2.2
57.03429	2.5
61.02924	3.0
65.03954	1.1
68.05024	1.0
68.97110	0.9
69.03438	7.7
70.06602	4.5
71.05000	1.4
71.53835	1.1
72.08172	1.1
73.02930	1.6
74.02450	16.2
79.05503	1.3
81.03455	4.9
81.04088	1.8
81.04545	23.7
81.07056	7.4
84.08151	1.0
85.02915	19.1
86.09707	1.4
87.04458	1.5
88.04011	4.6
91.03983	1.9
91.05482	1.4
92.05015	3.4
97.02900	9.7
97.06534	1.7
98.97592	3.7
99.04441	1.6
107.04973	1.0
108.04500	1.9
108.48772	0.8
109.02876	2.8
110.06056	100.0
111.04446	1.0
116.03435	1.4
117.03434	1.4
121.06529	1.2
127.03932	5.3
127.05053	12.4
128.98619	1.5
134.06042	5.8
135.04485	1.2
136.03954	1.9
137.05974	1.7
137.10753	9.8
145.02855	0.9
145.04979	3.1
147.04456	1.1
148.05186	1.8
149.06068	1.4
157.08611	1.2
158.99675	1.4
161.07126	7.8
162.05533	1.4
163.03922	2.1
165.05579	1.0
167.07047	10.1
168.03401	1.5
171.25102	0.9
177.05467	2.6
179.08195	9.9
179.11816	28.8
181.05049	1.2
190.04985	1.2
193.05005	2.0
207.07713	14.1
209.08118	8.1
219.01884	1.6
223.04329	1.7
225.08827	57.7
225.12335	83.2
226.08873	1.0
227.54039	0.9
237.02856	1.7
267.09766	1.3
283.49695	1.0
309.08612	1.2
311.52255	0.9
370.31555	1.0
387.12836	1.4
387.17627	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	385.3104
Annotation	8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoic acid
Peak:m/z	Relative Intensity
55.05503	6.5
57.07076	1.3
65.64454	1.1
67.05507	9.0
69.07078	9.1
79.05486	6.4
81.07061	14.7
83.04949	1.3
83.08637	3.2
85.06551	2.5
91.05479	6.7
93.07050	14.1
95.08614	25.0
97.06548	2.2
97.10186	2.6
98.21530	2.5
99.08107	8.7
105.07041	10.8
106.76991	1.3
107.08608	19.5
109.10169	18.9
111.08093	4.6
111.11720	1.5
113.09637	1.3
117.06983	2.0
119.08585	19.4
121.10155	21.4
123.08093	1.4
123.11720	9.3
125.09632	2.3
127.11185	2.1
129.07028	2.6
131.08601	7.6
133.10143	13.6
135.08012	1.3
135.11707	16.5
136.41478	1.4
137.09657	1.3
137.13316	2.6
139.11128	2.8
143.08582	3.8
145.10100	9.5
147.11703	11.9
149.13307	7.3
154.83194	1.2
156.09375	1.9
157.10176	9.9
159.11719	13.2
161.13268	10.2
163.14810	3.5
165.12804	1.5
169.10141	4.3
171.11690	10.2
172.12543	1.2
173.13287	12.2
175.14854	9.9
177.12715	1.2
177.16420	2.2
179.14314	3.3
183.11763	3.8
185.13248	8.5
187.14818	9.7
189.16406	6.4
191.14355	2.4
191.17992	4.0
193.15906	1.6
195.11667	1.7
197.13295	4.6
199.00734	1.3
199.14810	6.8
201.16336	6.8
202.98994	1.2
203.17986	3.6
205.15744	1.4
207.17451	1.2
209.13295	2.4
211.14844	5.0
213.16353	11.2
215.18015	5.2
217.19557	2.8
223.14816	3.0
225.16417	4.5
227.17928	9.4
229.19542	4.5
231.17389	2.9
233.19017	2.2
237.16415	2.5
239.17990	4.8
241.19502	6.8
243.17358	1.9
243.21129	2.2
245.19096	3.7
251.18031	1.6
253.19638	3.6
255.21107	4.7
257.19043	3.1
259.20593	2.9
265.19659	3.2
267.21103	2.7
269.22681	3.0
271.20688	2.3
279.21082	5.0
281.22681	3.4
283.20532	2.0
283.24219	1.5
285.22116	2.2
293.22522	2.9
294.23547	1.4
295.24274	3.9
297.22263	3.3
297.25754	1.3
299.23740	1.7
301.25146	1.4
307.24527	1.2
309.25949	3.2
311.23761	4.4
313.25299	2.7
327.26718	2.4
339.30853	2.1
349.28882	22.1
367.29980	75.0
368.30127	1.9
385.31046	100.0
386.31503	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	385.3101
Annotation	8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoic acid
Peak:m/z	Relative Intensity
53.03948	2.6
55.01877	1.1
55.05267	1.7
55.05515	26.9
57.03445	3.0
57.07069	4.0
59.04993	2.6
65.03924	1.2
67.05508	23.8
69.03429	1.2
69.07072	32.5
69.95265	4.7
71.04981	3.7
77.03963	1.0
79.05495	15.1
81.03367	1.1
81.07060	51.7
83.04998	2.6
83.08624	14.9
85.06557	5.4
91.05480	15.0
93.07048	47.6
95.04973	3.5
95.08611	82.3
97.06552	7.5
97.10168	4.1
98.21391	2.0
99.08105	7.2
105.07039	31.4
107.08603	41.6
109.06516	4.7
109.10159	56.5
111.08073	8.5
111.11725	3.1
113.09720	1.2
117.07025	4.8
119.08590	43.7
121.06509	2.4
121.10152	47.2
123.08087	4.1
123.11715	20.3
125.09650	1.8
127.11181	1.7
128.06255	1.9
129.07027	3.0
131.08583	16.1
133.10136	32.2
135.08060	3.4
135.11703	18.5
137.09639	4.6
137.13245	6.5
139.11208	11.3
142.07797	2.7
143.08563	8.7
144.09384	2.5
145.10135	28.3
146.60995	1.0
147.11684	26.1
147.12807	1.9
149.09631	2.0
149.13257	16.3
151.11177	10.3
151.14874	1.5
153.12799	3.3
156.09331	2.1
157.10152	12.7
158.10970	4.0
159.11703	41.5
159.13034	2.5
160.12546	1.2
161.09608	2.3
161.13251	18.6
163.11183	9.5
163.14827	7.7
165.12766	19.6
169.10147	2.7
170.10951	2.2
171.11670	14.0
172.12463	2.6
173.13277	21.8
175.14844	14.5
177.12762	4.8
177.16379	4.0
179.14381	3.0
181.10042	1.2
183.11754	4.4
185.13261	12.0
186.14070	1.7
187.14839	56.5
189.12793	1.6
189.16379	10.1
191.14278	2.5
191.17943	1.6
193.15866	8.1
195.11760	1.7
197.13306	4.9
198.14198	1.7
199.14833	11.7
201.16420	10.9
203.14333	1.4
203.18010	5.3
205.15836	6.6
207.17517	2.3
209.13254	2.7
211.14842	4.6
213.16385	40.0
214.17020	1.1
215.14522	1.1
215.17975	12.1
217.15964	1.3
217.19611	2.6
219.17493	3.5
223.14859	2.0
225.16417	3.1
227.17946	18.2
228.18741	10.5
229.19527	23.1
230.19867	1.3
231.17453	5.0
231.21071	1.5
233.19069	6.3
237.01334	1.1
239.17957	3.2
241.19487	5.4
243.21082	1.6
245.19032	9.2
247.20595	6.1
251.17892	1.9
253.19583	4.0
255.21092	6.7
257.19104	3.0
257.22681	6.6
259.20621	2.2
265.19525	3.6
267.21115	3.1
269.22717	3.6
271.20651	3.0
273.22192	5.8
275.23676	6.1
279.21024	3.0
281.22705	3.4
283.20599	2.5
283.24310	3.6
285.22147	1.1
287.23871	1.7
293.22736	2.3
297.22269	4.5
297.25476	1.3
299.23792	1.7
307.24295	1.3
311.23557	1.4
313.25391	2.8
315.27048	1.5
323.27399	3.8
325.28983	2.2
327.26749	3.4
339.30399	1.9
341.28421	6.0
343.29941	1.4
349.28970	7.8
357.31522	2.4
367.29971	62.3
368.30411	2.2
385.14670	1.7
385.31046	100.0
386.31714	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73616	0.8
53.03944	2.5
54.58645	0.7
55.01864	2.7
55.05515	1.8
57.03428	2.8
61.02921	3.1
65.03925	0.9
67.05505	2.9
69.03433	9.9
69.07069	1.8
70.06590	1.7
71.04989	1.6
73.02912	2.4
79.05495	2.6
81.03419	4.7
81.07042	4.0
83.04975	1.8
85.02905	38.1
86.03219	0.9
87.04456	3.4
91.03939	1.4
91.05478	4.7
91.64736	0.8
93.07050	3.1
95.04973	2.5
95.08606	1.8
97.02305	1.0
97.02893	11.2
97.06514	1.8
98.03235	1.7
99.04445	5.4
99.94337	1.0
103.03970	2.9
105.07029	7.5
107.08592	7.2
109.02894	4.6
109.06498	1.7
109.10148	1.6
111.04436	3.1
117.06984	2.1
119.04938	1.1
119.08607	5.8
121.06467	5.2
121.10158	4.7
122.06022	0.9
123.04430	2.7
123.08064	2.6
124.07617	0.9
125.06011	3.5
127.03906	10.1
128.04297	1.7
129.06989	1.2
131.08545	4.2
133.10136	1.8
135.08041	9.4
137.05974	2.9
139.07544	1.7
140.07051	1.3
141.96698	0.8
144.09375	1.6
145.04944	7.2
145.06523	1.3
145.10133	2.0
147.04404	1.0
147.08044	3.4
147.11682	3.5
149.05984	2.4
149.09607	7.0
151.03938	1.4
151.07510	1.5
152.07127	1.2
159.08069	1.1
159.11737	5.0
161.05917	1.8
163.06091	2.0
163.07510	11.1
163.11093	1.4
164.07027	1.1
166.08636	20.5
167.07088	2.7
168.06532	2.2
172.08861	1.3
175.07553	1.5
177.05400	1.2
177.09114	5.1
177.12743	1.6
179.10675	7.6
182.08234	1.7
190.09892	1.8
193.08670	1.3
201.05457	1.9
205.08609	3.6
205.12241	100.0
206.12553	1.3
207.13808	2.8
210.07629	5.6
223.06059	1.7
223.09703	3.8
223.13287	93.8
239.05504	2.1
268.63205	1.0
304.11166	1.1
314.10077	1.0
340.13928	4.0
350.12323	1.8
385.14896	8.1
385.18933	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	385.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
58.77076	1.7
61.44941	1.8
65.03954	2.0
67.05499	4.2
69.03423	6.4
70.06601	2.4
71.04964	2.2
71.55032	2.6
79.05490	4.9
81.03427	2.9
81.07028	4.9
82.06614	3.4
85.02908	11.4
91.05477	5.5
93.67770	1.8
94.06548	5.5
94.87576	1.7
95.04943	2.9
95.08637	2.2
96.04472	3.9
97.02896	6.1
97.06531	2.5
98.90453	1.8
98.97604	3.7
99.04453	3.2
105.07006	7.8
106.06559	1.9
107.04948	4.1
107.08616	2.2
108.04516	4.1
109.02901	3.4
110.06028	7.6
111.49876	1.6
112.07606	2.0
120.04497	1.7
120.08086	1.8
121.06522	2.6
121.10159	2.0
122.06046	11.7
123.04428	4.4
123.08092	2.3
124.07613	3.9
127.03921	3.4
133.06438	3.3
136.07573	2.5
137.02299	2.5
138.05527	13.6
138.09154	4.1
145.04994	2.3
147.04399	5.9
147.08064	2.3
150.05502	4.8
151.03944	4.1
151.06339	4.1
152.07071	78.4
153.05470	5.2
154.08694	4.4
160.11295	2.6
161.06024	7.3
163.07466	2.3
164.07094	5.7
165.05446	2.5
165.75946	1.9
166.04948	5.4
166.08646	78.2
167.05814	3.4
167.07092	2.8
168.06590	7.3
174.09158	5.3
179.03380	3.5
180.06541	5.2
182.08141	100.0
184.06152	3.7
184.07623	3.3
184.09732	2.9
186.07639	3.1
187.25986	1.9
193.08669	3.1
194.08139	83.3
195.06529	5.1
198.07614	4.7
198.09215	3.5
200.09204	15.4
202.08630	4.1
204.06508	4.9
205.12215	24.4
210.07509	11.2
212.09184	84.4
215.09830	1.8
215.11835	8.5
216.10219	7.0
218.08122	2.8
219.06543	1.9
223.13243	13.3
224.12793	6.0
227.08252	5.2
228.10298	3.6
229.09753	4.0
230.08141	8.8
243.11224	11.3
244.09659	14.9
253.09674	3.8
257.09158	5.4
271.10742	25.9
272.09204	14.2
273.04102	1.9
275.09299	2.2
290.10172	14.5
299.10318	6.1
300.08740	2.7
306.09784	9.9
308.11261	3.7
317.11469	13.1
318.09796	18.2
318.15506	2.5
331.12854	4.1
335.12494	10.0
336.10773	16.8
340.13943	3.5
349.09875	3.8
349.13940	44.6
353.13486	5.3
367.15033	9.7
385.01880	3.7
385.18671	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.01874	4.2
61.02921	2.3
69.03418	4.7
70.06593	1.6
70.56568	3.3
70.56908	1.5
73.02915	1.2
74.34064	1.2
77.16521	1.3
79.05495	6.3
81.03406	2.2
83.01344	3.0
85.02908	7.9
88.51675	1.2
89.45074	1.3
89.80450	1.7
91.05491	5.4
91.39645	1.3
95.01276	1.9
95.04982	4.4
97.02898	5.1
97.63095	1.3
98.21435	1.2
98.22449	1.1
98.97575	1.9
102.65891	1.2
103.05482	6.1
105.07034	55.9
107.04976	2.4
115.03912	1.3
115.05450	16.4
117.07059	2.9
118.04168	3.8
119.04970	2.2
123.04436	7.1
125.02414	1.5
127.03915	2.7
129.07048	1.9
129.65439	1.2
131.04910	5.4
132.05777	1.5
133.06500	53.3
143.04976	1.9
143.06052	5.5
144.05710	1.6
145.02843	1.7
145.06499	5.6
147.04436	3.7
151.03915	3.6
152.07088	1.9
155.07050	4.9
157.06497	1.7
160.05219	1.3
161.05988	100.0
166.08678	4.2
167.07034	26.5
173.05972	5.7
175.03886	2.8
175.06099	2.4
175.07608	3.6
177.05453	2.0
181.04974	2.5
182.08116	1.8
183.06564	3.2
187.07440	2.3
189.05501	3.4
190.06273	3.0
191.06985	4.1
192.07813	2.4
193.08611	64.4
194.08034	2.5
201.05502	3.4
203.07088	4.5
205.08577	6.2
205.12064	1.6
207.06546	7.3
217.08649	2.0
219.06499	3.4
221.08153	4.4
223.04279	4.1
223.08186	2.6
229.04999	3.3
231.06523	8.6
233.04408	5.9
233.08080	5.3
243.06595	1.5
245.04590	1.9
245.08139	1.7
246.05322	1.2
247.05995	1.4
249.07535	2.6
251.09160	22.6
252.07341	3.0
253.07542	2.3
260.06717	1.8
261.07599	12.7
263.09109	4.2
273.07550	1.8
275.09088	4.8
279.08569	1.6
287.09094	1.6
289.07138	2.8
293.10156	4.4
305.10229	2.0
307.08160	6.3
318.09860	1.6
319.08026	2.0
367.10129	2.3
367.29584	1.3
385.02274	1.9
385.11240	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	384.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.8
57.03441	1.9
58.68626	1.4
68.68770	1.4
69.03426	8.4
69.83433	3.0
69.83829	3.9
71.04988	5.5
81.03430	9.4
81.07037	2.8
85.02906	69.2
97.02909	16.3
99.04460	32.4
103.03945	83.8
109.02871	15.2
120.25978	1.7
127.03923	100.0
145.04974	63.1
145.05791	1.1
145.06134	1.6
150.57098	1.7
163.06024	55.7
163.07382	2.8
176.43594	1.5
187.06050	5.1
187.13289	6.2
196.27994	1.6
205.07130	3.7
221.46515	2.2
253.07135	2.4
271.08084	4.3
289.09219	5.1
307.10287	10.8
335.77048	1.8
349.14868	4.1
373.18707	1.6
382.83417	1.9
384.13489	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	384.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29948	1.5
51.98828	1.5
53.03947	4.7
55.01864	4.9
55.05510	1.9
57.03424	5.9
57.07059	2.2
59.04999	1.9
61.02923	5.7
68.99797	1.7
69.03077	2.6
69.03432	33.0
69.07058	1.9
70.06586	4.1
71.04993	5.6
71.55311	1.8
73.02912	8.1
73.06563	3.5
73.08927	1.3
79.05473	2.6
81.03419	22.9
81.07047	3.0
83.01338	1.6
83.08601	2.9
84.04478	1.4
84.08142	1.8
85.02908	93.0
87.00302	3.0
87.00833	46.0
91.03945	1.5
91.05481	5.0
93.07084	2.2
95.06107	1.5
97.02895	46.7
97.06548	2.1
99.04448	14.6
100.07633	2.9
102.81229	1.4
105.01871	100.0
107.04915	1.4
107.08593	1.2
109.02886	26.6
109.06480	1.7
110.07179	7.3
117.01862	2.0
117.38824	1.3
119.05008	1.8
123.11675	2.2
127.03922	91.8
129.01862	2.2
131.08537	1.8
134.06033	1.5
135.08018	1.4
137.06015	2.8
139.03908	2.1
141.12744	5.6
145.04964	36.0
149.05989	1.6
151.12360	2.6
152.07092	2.4
153.05469	9.9
159.02890	8.5
161.09492	1.8
166.27014	1.3
167.06993	4.2
169.07611	1.7
171.06581	3.9
173.66217	1.6
177.05507	1.9
180.07860	1.6
187.13408	2.9
189.03940	2.4
201.05472	6.5
208.14476	2.3
209.08058	2.3
211.95074	1.7
213.03993	4.0
223.13358	2.2
224.13885	2.2
231.05002	41.7
233.58427	1.5
249.06079	25.1
254.14954	3.4
275.07614	29.1
287.15372	1.4
293.08670	23.7
302.89484	1.5
311.09686	7.1
331.13895	3.3
354.81860	1.7
384.11926	2.5
384.20609	3.1
385.18317	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.5
55.01875	7.6
57.03437	5.5
58.80988	3.2
61.02920	7.0
65.03937	3.4
69.03433	35.5
70.06586	7.5
70.07459	9.0
70.07855	7.7
71.04983	4.3
73.02918	6.3
77.57386	2.9
79.05475	4.4
81.03432	25.2
81.07040	3.6
85.02909	100.0
87.00842	36.7
93.07033	4.6
95.08559	4.1
97.02902	37.8
99.04446	14.4
105.01876	77.0
105.07092	3.5
109.02898	27.4
115.32494	3.8
117.01881	3.5
119.10680	5.2
124.07546	4.3
127.03908	63.7
145.04964	32.9
159.02875	9.8
201.05479	5.1
204.10176	3.8
213.03949	7.2
223.13409	5.2
231.04996	30.6
249.06104	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	384.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.01867	2.5
55.05510	4.9
57.03428	6.2
59.04995	2.0
61.02927	4.1
65.41653	2.2
69.03436	14.4
70.66261	4.6
71.04993	4.1
73.02889	3.7
73.06566	3.6
81.03424	14.7
83.04969	4.8
85.02909	76.5
91.03985	2.7
96.75703	2.0
97.02899	32.4
98.01061	1.9
99.04455	32.1
101.06027	37.5
103.03948	80.2
109.02885	13.8
119.07054	15.8
120.04483	3.2
127.03922	100.0
129.08923	2.3
144.88133	2.1
145.03973	2.5
145.04950	69.7
150.56894	2.2
163.06027	47.2
187.06065	5.4
205.07124	3.1
207.07578	4.1
208.08087	4.4
223.62347	2.0
238.05321	7.8
245.10298	3.0
263.11395	5.6
271.08215	7.2
289.09174	7.6
307.10083	11.1
324.12573	2.6
349.15161	3.7
350.92291	2.4
367.13290	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2947
Annotation	Strongylophorin 22
Peak:m/z	Relative Intensity
51.71476	1.8
55.05505	7.9
57.07071	2.0
61.96412	2.0
67.05506	12.2
69.03428	4.8
69.07076	11.2
69.72038	8.2
70.03754	2.3
71.05014	2.8
79.05492	6.8
81.07063	17.0
83.08630	4.7
87.76347	1.6
91.05473	6.8
93.07040	11.6
93.48751	1.8
95.04990	4.0
95.08617	22.0
97.06528	4.0
97.10171	2.9
99.08101	13.0
100.37029	1.5
105.07031	12.9
107.08615	19.3
109.06556	3.5
109.10181	20.2
111.08083	3.4
117.07008	3.2
119.08579	19.4
121.06477	2.0
121.10162	17.8
123.08083	4.9
123.11701	8.1
125.09607	5.2
131.08574	7.6
133.10155	13.8
135.08128	2.4
135.11688	7.5
137.09607	2.7
137.13158	1.9
139.11174	4.4
142.07747	2.3
143.08580	5.9
145.10121	12.6
147.11714	12.7
149.09615	2.4
149.13295	2.5
151.11250	3.6
155.08624	3.4
156.09346	2.1
157.10141	14.4
158.10974	2.0
159.11716	16.7
161.13280	6.6
163.11224	2.0
163.14818	3.3
165.12807	4.0
169.10112	6.2
171.11719	13.9
173.13261	12.7
175.14880	2.6
177.12770	3.2
183.11678	9.2
185.13293	9.4
187.14854	6.0
189.12801	3.6
189.16330	2.6
195.11630	3.5
197.13286	7.4
199.14839	8.1
201.16359	2.7
203.14302	3.0
207.11603	2.0
209.13277	5.6
210.13857	1.8
211.14806	7.9
213.16360	14.2
215.17928	4.1
217.15833	2.2
221.13214	2.6
223.14828	6.4
225.16443	5.4
227.17957	10.6
229.12334	1.7
229.15918	2.7
229.19348	1.9
231.17412	3.3
235.14719	1.8
237.16377	1.8
239.17986	7.0
241.15887	3.0
241.19456	3.4
243.17551	2.7
245.18970	5.3
251.17885	3.0
253.19556	5.3
255.17601	3.8
257.19031	4.1
259.20557	2.5
267.21222	2.9
269.19019	2.4
271.20520	3.2
277.19513	2.4
279.21213	8.4
281.19092	3.4
283.20535	2.7
285.22128	3.9
295.20697	6.1
297.22192	4.9
309.22122	7.7
311.23663	3.4
325.25400	4.3
347.27438	6.0
365.23788	2.7
365.28409	77.6
383.29437	100.0
384.29788	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	383.2946
Annotation	Jaspaquinol
Peak:m/z	Relative Intensity
53.03948	2.0
55.01863	1.5
55.05515	4.8
57.07070	1.6
65.03936	3.6
65.09645	0.9
67.05134	0.8
67.05508	37.4
69.03435	100.0
69.07069	6.6
69.49251	5.3
71.04989	1.1
77.03958	0.8
79.05504	13.1
81.03432	5.5
81.07059	13.9
83.04975	1.4
83.08607	3.1
91.05494	6.9
93.07044	16.8
95.04977	78.3
95.08610	22.4
95.09187	0.6
97.06543	2.0
97.10168	2.0
98.20741	1.2
105.04505	1.1
105.07032	17.6
107.04971	11.8
107.08606	20.7
109.06528	3.3
109.10163	16.8
111.08094	2.7
117.07027	4.3
119.08592	15.3
121.06480	3.0
121.10147	17.6
123.08059	2.0
123.11704	8.0
129.06985	3.1
131.08578	9.2
133.06503	1.0
133.09215	1.5
133.10155	12.0
135.08080	7.6
135.11711	12.2
137.09625	1.4
137.13274	2.5
142.07764	1.1
143.08519	4.6
144.09332	1.5
145.10133	12.4
147.08058	2.5
147.11679	9.3
149.09624	1.9
149.13268	5.2
151.11183	1.2
155.08578	2.6
156.09425	1.3
157.10107	7.3
159.08057	1.0
159.11707	11.9
161.09647	7.3
161.13261	10.1
163.11240	1.4
163.14824	3.4
167.08565	1.2
167.52367	0.8
169.10187	4.8
171.11713	5.5
173.09671	2.2
173.13284	9.7
175.11220	3.0
175.14832	5.1
177.16365	1.3
179.14268	1.5
181.10150	2.1
183.11768	5.2
185.13292	6.5
187.11125	1.6
187.14830	9.7
189.12802	1.1
189.16414	6.6
191.14375	1.1
191.17899	1.9
195.11708	1.5
197.09554	1.0
197.13216	3.1
198.14119	0.9
199.14865	6.1
201.12798	1.5
201.16301	5.2
203.14253	1.2
203.17989	2.5
208.12257	0.9
209.13258	3.0
211.14818	4.3
213.16341	5.5
215.17915	5.4
221.13258	1.7
223.14766	2.0
225.16388	3.2
227.17952	3.8
229.15871	4.9
229.19464	4.2
235.14908	1.5
237.16385	2.1
239.17953	2.3
241.15976	1.4
241.19510	3.3
243.17551	2.9
243.21072	5.7
251.18091	1.5
253.19493	1.9
255.17526	1.3
255.21109	1.7
257.19107	1.6
257.22733	2.1
263.18179	1.6
265.19525	2.0
267.21072	1.7
269.19046	2.0
269.22830	1.2
271.20526	1.3
277.19513	2.7
279.21140	3.8
281.18930	1.5
283.20587	2.2
283.24020	1.9
285.22336	1.0
291.20996	1.4
295.20602	3.3
297.22211	2.8
297.25757	20.1
307.24219	1.0
309.22211	2.0
311.23770	1.8
315.26978	2.1
321.25790	3.4
323.23770	1.2
330.47281	1.0
337.28848	1.6
339.26840	4.8
347.27219	6.0
365.28424	36.9
383.29462	95.5
384.29590	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93548	2.7
53.03955	3.1
54.86050	3.2
55.05512	22.0
57.03447	4.9
57.07060	11.1
59.04996	6.5
65.03936	3.4
67.05508	57.0
67.96144	2.6
69.03432	11.1
69.07072	23.8
69.45536	21.1
71.04977	11.0
79.05493	32.4
81.03387	3.1
81.06590	3.5
81.07057	53.7
83.04961	9.9
83.08608	13.9
85.06555	11.1
87.53330	2.8
91.05484	49.3
93.07045	93.9
93.07635	5.0
95.04961	20.0
95.08610	69.0
97.06536	13.2
97.10191	3.0
98.20823	6.8
98.90417	3.1
99.08092	11.0
105.03401	3.6
105.07035	79.6
107.08594	71.3
109.06539	20.3
109.10157	86.9
111.08094	11.5
115.05501	3.0
117.07026	14.7
119.08582	71.1
121.06511	6.7
121.10146	63.1
121.11010	3.3
123.08067	22.2
123.11700	15.4
125.09629	9.0
127.11180	9.8
128.06137	4.9
129.06975	9.6
130.07796	6.7
131.04893	4.1
131.08583	38.8
133.06541	7.5
133.10138	60.5
135.08116	13.7
135.11720	18.4
137.09598	7.7
137.13286	5.0
139.11205	11.2
141.06981	6.4
142.07767	16.7
143.08562	31.6
145.10132	50.3
147.08028	12.8
147.11693	29.3
149.09634	17.6
149.13283	10.0
151.07518	18.7
151.11211	6.3
153.09148	4.0
155.08545	10.9
156.09351	10.2
157.10124	55.7
158.10896	5.7
159.08046	9.6
159.11684	44.8
160.08858	3.3
161.09630	12.6
161.13260	22.5
162.60817	3.3
163.11215	11.0
165.09116	25.3
165.12720	9.2
167.08585	4.5
169.10103	15.4
170.10928	7.0
171.11679	27.6
173.09636	9.6
173.11835	4.1
173.13199	25.2
175.11143	14.9
175.14822	12.5
177.09135	6.3
177.12750	8.0
181.10158	4.0
181.12250	3.6
183.11687	13.9
185.13260	23.5
187.11226	4.4
187.14786	18.2
189.12744	11.5
189.16415	6.6
191.14328	9.1
194.10883	4.5
195.11717	7.2
197.13289	11.6
199.11125	4.5
199.14789	14.5
201.12717	5.0
201.16368	13.3
203.14326	27.4
203.17824	4.6
205.15919	4.1
207.11771	5.1
207.13806	7.2
208.12315	3.1
209.13222	11.4
209.15259	5.4
211.14824	10.5
213.12900	5.3
213.16353	23.1
215.14325	10.8
215.17958	6.6
219.13904	3.8
221.13368	3.2
221.15335	48.2
223.14928	9.4
225.12787	3.6
225.16423	8.9
227.14380	7.5
227.17970	13.4
229.15919	6.1
231.17404	7.0
233.15385	5.6
233.18951	3.4
234.16188	5.8
237.16479	3.7
239.17981	8.5
241.15768	3.7
241.19476	7.2
243.17488	5.7
245.19040	11.2
253.19514	6.5
255.17487	4.9
255.20926	5.0
257.18958	8.9
263.17996	4.2
265.19528	5.6
267.20956	3.5
269.19009	8.1
271.20508	7.3
277.19489	4.2
279.21103	8.3
281.18765	4.4
281.22552	4.2
283.20660	7.9
285.22040	5.4
286.19281	3.4
287.19949	7.7
295.20505	10.6
297.22241	7.6
297.25638	3.6
299.19885	3.1
303.19635	5.9
308.25616	3.3
309.22302	8.1
311.23697	3.5
325.25299	5.2
337.28952	3.9
339.26700	6.5
341.28183	3.3
347.27231	8.2
365.24927	7.9
365.28445	99.5
365.31976	4.2
383.25507	40.9
383.29434	100.0
383.33380	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	383.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93548	2.7
53.03955	3.1
54.86050	3.2
55.05512	22.0
57.03447	4.9
57.07060	11.1
59.04996	6.5
65.03936	3.4
67.05508	57.0
67.96144	2.6
69.03432	11.1
69.07072	23.8
69.45536	21.1
71.04977	11.0
79.05493	32.4
81.03387	3.1
81.06590	3.5
81.07057	53.7
83.04961	9.9
83.08608	13.9
85.06555	11.1
87.53330	2.8
91.05484	49.3
93.07045	93.9
93.07635	5.0
95.04961	20.0
95.08610	69.0
97.06536	13.2
97.10191	3.0
98.20823	6.8
98.90417	3.1
99.08092	11.0
105.03401	3.6
105.07035	79.6
107.08594	71.3
109.06539	20.3
109.10157	86.9
111.08094	11.5
115.05501	3.0
117.07026	14.7
119.08582	71.1
121.06511	6.7
121.10146	63.1
121.11010	3.3
123.08067	22.2
123.11700	15.4
125.09629	9.0
127.11180	9.8
128.06137	4.9
129.06975	9.6
130.07796	6.7
131.04893	4.1
131.08583	38.8
133.06541	7.5
133.10138	60.5
135.08116	13.7
135.11720	18.4
137.09598	7.7
137.13286	5.0
139.11205	11.2
141.06981	6.4
142.07767	16.7
143.08562	31.6
145.10132	50.3
147.08028	12.8
147.11693	29.3
149.09634	17.6
149.13283	10.0
151.07518	18.7
151.11211	6.3
153.09148	4.0
155.08545	10.9
156.09351	10.2
157.10124	55.7
158.10896	5.7
159.08046	9.6
159.11684	44.8
160.08858	3.3
161.09630	12.6
161.13260	22.5
162.60817	3.3
163.11215	11.0
165.09116	25.3
165.12720	9.2
167.08585	4.5
169.10103	15.4
170.10928	7.0
171.11679	27.6
173.09636	9.6
173.11835	4.1
173.13199	25.2
175.11143	14.9
175.14822	12.5
177.09135	6.3
177.12750	8.0
181.10158	4.0
181.12250	3.6
183.11687	13.9
185.13260	23.5
187.11226	4.4
187.14786	18.2
189.12744	11.5
189.16415	6.6
191.14328	9.1
194.10883	4.5
195.11717	7.2
197.13289	11.6
199.11125	4.5
199.14789	14.5
201.12717	5.0
201.16368	13.3
203.14326	27.4
203.17824	4.6
205.15919	4.1
207.11771	5.1
207.13806	7.2
208.12315	3.1
209.13222	11.4
209.15259	5.4
211.14824	10.5
213.12900	5.3
213.16353	23.1
215.14325	10.8
215.17958	6.6
219.13904	3.8
221.13368	3.2
221.15335	48.2
223.14928	9.4
225.12787	3.6
225.16423	8.9
227.14380	7.5
227.17970	13.4
229.15919	6.1
231.17404	7.0
233.15385	5.6
233.18951	3.4
234.16188	5.8
237.16479	3.7
239.17981	8.5
241.15768	3.7
241.19476	7.2
243.17488	5.7
245.19040	11.2
253.19514	6.5
255.17487	4.9
255.20926	5.0
257.18958	8.9
263.17996	4.2
265.19528	5.6
267.20956	3.5
269.19009	8.1
271.20508	7.3
277.19489	4.2
279.21103	8.3
281.18765	4.4
281.22552	4.2
283.20660	7.9
285.22040	5.4
286.19281	3.4
287.19949	7.7
295.20505	10.6
297.22241	7.6
297.25638	3.6
299.19885	3.1
303.19635	5.9
308.25616	3.3
309.22302	8.1
311.23697	3.5
325.25299	5.2
337.28952	3.9
339.26700	6.5
341.28183	3.3
347.27231	8.2
365.24927	7.9
365.28445	99.5
365.31976	4.2
383.25507	40.9
383.29434	100.0
383.33380	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	383.2579
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03937	8.0
55.01857	3.3
55.05512	18.3
57.07061	5.9
59.04998	3.6
59.88530	2.7
63.56873	2.9
65.03934	6.2
67.05505	31.0
69.03426	13.3
69.07067	8.7
69.22759	33.7
71.04971	8.4
79.05499	26.1
81.07062	37.5
83.04962	10.0
83.08620	6.0
85.06558	5.2
91.05483	50.1
93.07044	94.0
95.04958	31.7
95.08598	42.7
97.06514	21.1
103.05479	4.0
105.07037	78.6
107.04961	5.2
107.08602	51.1
109.06526	25.1
109.10168	31.8
111.08105	8.9
117.07014	16.1
119.08595	54.0
121.06477	18.3
121.10148	52.3
123.08092	22.6
125.09657	3.3
128.06190	3.1
129.07011	16.1
130.07765	6.4
131.08575	35.3
133.06488	8.9
133.10124	35.4
135.08038	27.1
135.11687	7.4
137.05971	4.9
137.09608	10.0
142.07819	21.0
143.08554	32.5
144.09369	6.8
145.06517	3.6
145.10136	46.7
146.07217	4.2
147.08058	23.8
147.11662	23.4
149.09613	25.0
151.07539	34.9
155.08537	12.8
156.09344	9.6
157.10146	45.1
158.10861	4.0
159.11678	19.2
161.09621	23.7
161.13271	6.7
163.11156	11.0
165.09129	36.1
169.10143	6.2
170.10933	6.2
171.11690	15.6
173.09610	12.8
173.13258	11.0
174.10408	3.2
175.11182	20.8
175.14812	6.4
177.09120	12.1
177.12750	4.0
181.10143	5.4
181.12244	7.2
182.10857	6.2
183.11685	11.4
185.09686	4.2
185.13229	19.5
187.11243	7.4
187.14819	9.3
189.12692	7.5
191.14183	4.4
194.10960	5.7
195.11716	7.8
197.13264	10.8
199.14867	3.4
201.12782	15.0
203.14365	24.0
207.11952	5.0
207.13829	11.0
209.13312	7.9
209.15273	5.1
211.14772	3.6
215.14317	19.0
219.13882	9.0
221.13350	4.0
221.15338	69.9
223.14812	5.2
227.14278	9.8
231.13873	4.4
233.15401	9.8
234.16156	18.4
246.13789	3.3
247.17078	5.1
251.18037	4.6
285.15823	5.7
286.19150	5.2
287.20215	6.7
299.20221	5.3
303.19373	5.8
314.01959	3.3
347.23578	5.8
365.24664	17.6
383.25775	100.0
401.58347	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	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03952	5.5
55.05507	15.4
57.03438	4.1
57.07070	11.0
57.49730	2.6
59.05007	5.1
61.06636	3.4
67.05512	37.4
69.03433	17.7
69.07075	10.6
71.04997	7.6
71.54976	3.8
79.05504	28.7
81.07063	37.9
83.04985	9.9
83.08614	7.3
85.06537	5.7
85.68726	2.7
91.05488	51.4
93.07050	100.0
93.07640	6.5
95.04962	28.8
95.08608	35.5
97.06559	14.3
105.07034	79.3
107.08604	49.0
109.06536	24.4
109.10159	22.4
109.96410	2.9
110.62648	2.8
111.08089	8.8
116.06270	3.0
117.07030	12.7
117.37614	2.6
119.08597	63.5
119.09422	2.5
120.09337	2.8
121.06513	14.4
121.10160	58.2
123.08091	30.7
123.11766	5.1
125.09621	4.6
128.06252	9.4
129.07039	16.6
130.07790	3.1
131.08578	36.9
133.06468	8.8
133.10144	38.2
135.08066	26.1
135.11696	11.6
137.05960	3.5
137.09619	11.5
142.07808	24.0
143.08580	31.7
144.09332	8.8
145.06477	3.5
145.10141	40.7
146.07280	3.7
147.08057	24.8
147.11673	19.9
148.08849	6.2
149.09627	36.1
149.13272	5.6
151.07542	37.6
155.08597	7.6
156.09352	7.5
157.10138	44.8
158.10925	3.8
159.08051	6.6
159.11690	19.7
160.08780	4.5
161.09648	23.6
161.13298	12.8
163.11249	9.8
165.09113	47.2
169.10175	9.8
170.10951	6.5
171.11714	12.6
173.09680	8.9
173.11987	3.4
173.13228	17.0
175.11203	19.4
175.14873	7.3
177.09109	14.9
177.12698	5.5
178.09836	4.8
179.08630	4.2
181.10123	6.7
183.11702	11.2
185.09657	2.8
185.13268	20.6
187.11150	6.2
187.14824	6.3
189.12753	12.0
195.11693	6.0
197.13301	5.8
199.14876	5.9
201.12724	14.9
201.16444	3.0
203.14323	35.3
207.11987	4.7
207.13763	19.9
209.13431	7.1
209.15367	6.9
211.11284	3.6
211.14946	4.2
213.12794	6.0
215.14359	6.3
216.15140	3.3
219.13843	5.8
221.13380	3.2
221.15367	95.8
223.14793	5.3
225.12810	3.4
227.14351	10.1
229.12332	3.4
229.15889	3.9
233.13155	4.5
233.15472	9.2
234.16144	13.8
249.16422	3.7
286.19360	7.7
287.20135	8.4
299.20081	7.3
303.19473	10.8
307.20880	3.4
309.18506	3.9
347.23590	3.7
365.24683	20.4
365.28485	9.4
383.25760	98.1
383.29678	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	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.1
55.05517	20.6
57.03415	5.5
57.07068	14.3
59.04990	7.1
67.05509	50.4
69.03426	14.1
69.07047	12.7
71.04991	5.3
79.05489	29.3
80.43951	4.6
81.03405	8.8
81.07059	44.0
83.04961	12.1
83.08569	7.4
85.06549	7.9
86.86924	3.7
91.05492	42.6
93.07040	100.0
95.04976	32.0
95.08614	51.4
97.06519	13.4
102.69630	4.0
103.05449	4.7
105.07030	75.3
107.08601	43.2
109.06513	24.1
109.10163	41.5
111.08109	10.2
117.06981	14.7
119.08588	61.6
121.06509	15.2
121.10147	50.6
123.08077	29.4
123.11713	4.0
128.06219	10.9
129.06999	12.7
130.07767	6.0
131.04907	8.2
131.08588	37.7
133.06483	8.6
133.10124	33.7
135.08064	18.5
135.11676	15.1
137.06003	5.9
137.09529	11.4
142.07779	16.7
143.08554	24.6
145.10130	43.8
147.08020	17.9
147.11647	17.4
148.08772	5.6
149.09605	34.8
151.07550	42.4
153.09108	4.6
155.08607	7.4
156.09334	11.2
157.10138	35.3
159.08115	9.9
159.11678	23.1
161.09613	18.3
161.13234	15.8
163.11172	7.8
165.09109	31.8
169.10100	5.2
170.10957	4.6
171.11711	4.1
173.09586	11.5
173.13280	17.8
175.11168	17.6
175.14819	10.3
177.09068	9.2
183.11691	7.6
185.13277	18.5
187.14848	12.5
189.12823	9.6
195.11665	5.2
197.13287	7.3
199.11276	5.2
199.14757	7.5
201.12788	11.2
201.16315	7.1
203.14253	20.2
203.17853	5.1
207.11858	4.6
207.13821	15.5
209.13333	6.2
209.15233	6.0
211.14708	4.4
213.12613	4.8
215.14325	6.6
219.13852	6.3
221.13373	8.8
221.15384	90.9
223.14781	4.8
225.16422	5.6
227.17953	5.6
229.00549	4.2
229.26167	4.1
234.16104	18.7
235.09999	5.3
251.11211	7.6
269.12253	8.8
286.19226	7.1
287.19995	4.8
303.19577	10.5
365.24838	15.4
365.32053	12.3
383.25656	85.7
383.33200	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	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03938	9.2
53.68349	3.3
55.05511	25.2
56.81023	2.8
57.07079	10.9
58.54411	3.1
59.04996	7.0
65.03941	4.7
67.05502	44.7
69.03440	16.8
69.07081	17.8
71.04974	4.5
71.55320	6.0
79.05489	36.4
81.03378	3.6
81.07061	55.2
82.28862	3.3
83.04978	19.1
83.08627	11.0
85.06535	9.4
91.05480	45.0
93.07043	99.9
95.04980	26.3
95.08609	58.9
97.06547	13.3
97.10207	3.9
99.08096	11.0
105.03425	17.1
105.07030	78.1
107.04973	4.9
107.08598	68.0
108.05694	3.1
109.06513	21.8
109.10153	44.4
111.08066	16.7
117.07022	16.2
119.08585	72.8
121.06511	15.8
121.10145	56.6
123.08099	29.5
123.11722	12.3
125.09604	7.5
127.11189	4.1
128.06233	9.0
129.07016	15.3
130.07877	6.1
131.08583	42.1
133.06505	8.8
133.10138	50.8
134.42316	3.9
134.48615	3.1
135.08047	21.7
135.11710	16.5
137.09628	10.8
141.06966	4.3
142.07800	18.9
143.08577	30.0
144.09401	4.2
145.06496	3.5
145.10135	57.5
147.08054	22.7
147.11691	28.4
148.08882	3.4
149.09637	21.9
149.13254	6.5
151.07530	37.3
151.11122	5.5
153.09140	4.8
155.08588	9.1
156.09346	10.6
157.10130	54.6
159.08054	10.7
159.11717	33.3
161.09634	22.5
161.13248	16.0
163.11206	10.4
165.06940	3.4
165.09132	30.4
165.12740	9.3
167.08488	3.5
169.10165	10.7
170.10953	7.6
171.11627	26.1
173.09616	8.1
173.13220	23.1
175.11212	26.3
175.14803	13.0
177.09154	8.3
181.10213	5.4
183.11720	14.5
185.11795	4.4
185.13258	27.6
187.11203	9.1
187.14856	13.3
189.12782	13.9
191.14392	9.3
195.11711	6.3
197.13277	8.7
199.11128	3.8
199.14853	8.4
201.12822	11.3
201.16367	8.8
203.14333	32.1
205.15880	5.4
207.13850	14.1
208.12605	3.4
209.13344	7.3
209.15320	3.9
211.14917	5.6
213.12843	8.4
213.16435	14.7
215.14352	14.9
215.17848	3.9
217.15851	4.7
219.13966	3.8
221.15363	75.1
223.14812	5.7
225.16350	7.8
227.14241	7.7
227.17896	9.0
231.17471	7.5
233.15355	6.6
234.16217	11.9
237.16554	6.1
239.18019	10.8
245.18947	7.3
253.19391	5.0
255.17552	8.2
255.21446	3.5
257.19070	9.0
260.13528	3.2
265.19809	3.6
267.21072	4.5
269.19098	4.4
271.20621	7.8
279.21002	5.4
281.19324	3.7
281.22635	3.2
283.20724	4.3
286.19278	7.1
287.20099	7.3
295.20740	9.3
299.20096	7.3
303.19632	9.5
309.22119	8.4
323.23782	4.6
325.25378	4.6
339.26926	5.4
341.28790	3.7
347.23694	3.6
347.27225	6.6
365.24536	13.2
365.28479	71.9
383.25690	100.0
383.29614	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	383.2432
Annotation	CHEBI:68941
Peak:m/z	Relative Intensity
53.03944	6.8
53.04171	1.7
55.01877	5.4
55.05518	28.9
56.96577	2.9
57.03429	5.9
57.07086	9.2
57.55663	1.8
59.05003	2.5
61.02914	2.6
65.03951	1.9
67.05515	51.1
69.03439	27.0
69.07079	49.5
69.07455	2.3
71.01350	1.8
71.04996	13.6
71.08631	3.6
71.55647	2.2
73.02912	3.0
73.04848	1.7
77.27618	1.9
79.05502	18.5
81.03422	30.3
81.07067	72.8
83.04989	20.8
83.08630	28.1
85.02919	16.8
85.06561	9.9
86.74419	1.8
87.04458	2.9
89.06042	3.1
91.05492	18.0
93.07055	41.4
95.04974	8.7
95.08616	75.0
97.02917	16.7
97.06540	6.2
97.10184	18.5
99.04459	6.9
99.08104	6.2
100.11241	3.4
103.03947	4.0
105.03376	2.6
105.07047	40.2
107.04998	4.5
107.08611	50.0
109.02872	15.0
109.06529	10.9
109.10166	100.0
111.04472	14.5
111.08095	8.9
111.11729	8.2
113.06012	2.7
113.09653	2.8
115.03984	2.9
117.05475	1.7
117.07036	4.7
119.08590	31.9
121.06517	6.2
121.10159	48.6
123.04479	2.0
123.08095	5.9
123.11726	47.2
123.62661	1.8
125.06015	2.4
125.09637	13.4
127.03928	34.8
127.07625	2.2
127.11198	3.7
127.33383	2.0
128.06248	2.1
129.05511	3.7
129.07079	3.4
131.08591	11.0
133.06493	3.7
133.10143	22.3
135.08093	7.2
135.11700	18.3
137.05994	5.1
137.09639	6.6
137.13248	6.4
139.11215	11.3
141.06987	2.4
143.08531	3.8
145.04906	3.1
145.06538	2.4
145.10150	13.3
147.08069	5.1
147.11702	27.8
149.06055	2.1
149.09637	7.5
149.13272	26.4
151.07539	2.6
151.11208	8.1
153.12801	2.6
154.23303	1.8
157.08781	2.6
157.10127	9.3
157.12288	6.8
159.08093	2.8
159.11737	15.3
161.09644	6.0
161.13297	14.1
163.11168	9.1
163.14836	5.9
165.12712	12.5
170.15414	3.2
171.11665	5.1
173.09702	3.8
173.11827	2.9
173.13284	7.9
175.11229	6.0
175.14842	7.3
177.09135	2.2
177.12721	5.1
177.16422	5.1
179.10677	2.8
179.17903	4.5
183.11824	2.5
183.13828	2.2
185.13272	2.8
187.14778	3.2
189.12733	5.1
191.10704	3.2
191.14343	4.5
191.17998	3.7
193.12234	4.5
197.13283	3.7
198.14911	2.7
199.11299	4.0
199.14876	3.0
201.16451	5.5
203.17950	28.1
203.89699	1.9
205.15912	2.1
213.12782	2.2
217.12225	2.3
219.17439	18.3
221.19017	38.2
227.17816	2.5
231.13792	2.8
233.19069	3.3
237.18513	25.1
243.13777	3.9
243.17532	2.8
245.19148	2.7
249.15080	2.3
249.18291	1.8
261.14923	3.9
261.18515	3.9
263.20142	3.9
279.19562	3.4
287.19952	2.8
291.15930	2.3
305.21252	3.5
309.17191	3.0
311.20169	2.8
319.23108	2.3
329.21097	12.3
347.22119	21.9
365.19177	1.6
365.23267	41.0
383.24451	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2431
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
53.03938	8.9
55.01867	3.5
55.05508	25.5
56.96566	2.2
57.03442	4.0
57.07050	4.5
59.04983	2.2
61.02923	4.6
67.05180	3.6
67.05509	42.7
67.85868	2.4
69.03437	21.1
69.06719	3.3
69.07069	37.6
69.61801	8.8
69.62210	4.1
71.04984	7.6
79.05499	16.8
81.03422	31.9
81.07059	62.5
83.04990	6.6
83.08612	19.9
85.02904	12.5
85.06548	16.2
91.05481	9.9
93.07047	23.9
95.04959	5.0
95.08603	42.2
97.02878	8.6
97.06550	3.7
97.10175	18.2
99.04464	6.8
99.08090	11.5
100.11228	2.8
103.05471	3.4
105.07035	25.3
107.08599	28.4
109.02895	11.3
109.06512	5.0
109.10159	100.0
111.04430	10.6
111.08086	6.9
111.11730	7.6
113.09661	4.1
117.07002	6.6
118.06515	12.4
119.08573	19.4
121.10156	18.6
123.08037	4.1
123.11714	25.1
125.09622	14.8
127.03925	35.9
127.11188	37.7
129.05487	3.0
129.06960	2.9
131.08585	4.5
133.10130	12.3
135.11707	8.1
137.13319	4.8
139.11156	9.5
141.61682	2.4
143.08508	2.5
144.08093	6.4
145.10143	8.4
146.06012	31.6
147.08029	2.7
147.11670	16.6
149.09633	3.9
149.13203	3.9
151.11180	3.0
152.14330	30.1
155.08557	2.9
157.10143	4.1
159.11702	8.4
161.09613	2.1
161.13271	9.0
163.11208	3.7
163.14816	4.0
165.12759	4.9
171.11664	2.6
175.11182	3.8
177.09193	2.9
177.16336	2.4
179.17963	6.1
188.07082	24.4
191.17970	3.6
194.05276	2.8
196.17041	15.7
198.40921	2.2
201.16399	5.5
203.17955	16.8
210.14879	5.7
213.12991	2.3
219.17575	4.9
221.19044	19.5
224.06827	2.8
237.18506	4.7
239.20114	9.7
249.12785	2.6
285.10031	2.8
311.19998	3.2
316.07846	3.0
329.21292	5.6
339.20584	17.5
339.64447	2.4
347.22128	12.5
365.23346	24.8
380.23135	2.3
383.23685	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	383.2428
Annotation	CHEBI:68941
Peak:m/z	Relative Intensity
53.03939	3.9
55.01874	4.6
55.05510	22.2
57.03436	4.3
57.07078	2.1
61.02913	2.2
67.05508	31.4
69.03430	29.3
69.07072	30.3
69.35898	17.1
71.04989	6.1
73.02902	2.4
73.53831	2.1
79.05488	20.3
81.03425	30.1
81.07056	63.7
83.04992	10.5
83.08620	16.2
85.02908	17.2
85.06567	2.5
87.04450	3.2
91.05457	17.1
93.07039	37.6
95.04967	7.3
95.08610	100.0
97.02917	11.2
97.06516	6.6
97.10170	18.7
99.04455	6.4
99.08108	5.6
103.03941	2.5
105.07041	32.2
107.04977	3.5
107.08598	53.6
109.02873	7.1
109.06527	8.2
109.10161	78.0
111.04453	13.5
111.08059	7.5
111.11709	7.3
113.05965	2.4
113.09644	7.2
115.07538	2.4
117.07022	6.1
119.08584	34.2
121.06498	4.3
121.10143	66.4
123.04426	5.1
123.08066	7.8
123.11718	27.6
125.05988	2.2
125.09653	9.5
127.03930	6.0
129.05510	9.3
129.06979	4.1
131.08525	9.8
133.10147	28.3
135.08075	3.9
135.11681	16.4
137.09596	3.4
137.13242	5.8
139.11176	15.3
143.08582	7.7
145.10127	23.0
147.08029	3.2
147.11687	22.2
149.09624	9.9
149.13274	9.7
151.11131	4.6
155.08507	2.4
157.10127	7.4
157.12262	3.4
159.08090	3.1
159.11717	20.1
161.09624	5.4
161.13245	15.0
163.11140	11.1
163.14804	10.2
165.09085	2.5
165.12740	5.4
169.10123	3.9
171.11681	6.8
173.09628	3.3
173.13263	9.0
175.11177	6.1
175.14793	10.2
177.12755	10.0
177.16365	11.7
179.17967	2.2
183.11685	3.4
185.13171	2.4
187.11197	3.2
189.12738	3.7
189.16373	4.0
191.14355	4.5
191.17960	6.8
195.11690	2.5
199.11230	3.3
201.12582	2.3
201.16415	21.9
203.14359	2.0
203.17981	18.4
213.12726	2.3
213.16391	3.1
215.17940	4.0
217.12267	2.0
217.15892	3.3
219.17435	29.0
221.19016	25.7
227.03714	2.2
227.14441	2.5
227.17897	2.8
231.17325	4.6
233.18874	2.0
237.18643	4.3
245.18994	5.3
251.20065	2.2
257.19055	3.4
261.18558	4.0
263.20032	5.9
269.18945	2.1
275.20206	3.5
287.20108	4.1
301.21506	4.6
305.21014	2.4
311.20078	8.5
329.21149	27.1
347.22159	29.5
365.23196	39.0
383.24362	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26859	0.7
53.03941	3.6
55.01873	7.7
55.05502	4.2
57.03196	0.7
57.03442	7.0
59.04996	0.7
59.86564	0.7
60.33115	0.7
61.02912	3.3
67.05504	4.9
69.03435	28.7
69.07055	3.6
70.06579	1.2
70.40775	1.6
70.41105	1.0
71.04997	5.1
72.08134	1.6
73.02922	41.7
79.05486	4.9
81.02994	0.9
81.03425	12.8
81.07059	18.6
83.04989	5.2
84.08092	0.8
85.02435	1.3
85.02910	21.4
85.03426	1.1
85.06577	1.0
87.04477	4.7
91.03977	1.0
91.05451	2.3
93.07064	4.2
95.04976	14.0
95.08607	5.6
97.02897	17.1
97.06524	2.2
99.04459	11.4
99.08112	1.0
100.11243	3.2
101.02387	26.9
101.26395	0.7
105.07012	3.4
107.04876	0.9
107.08616	4.3
109.02885	23.0
109.06522	20.0
109.10147	4.1
111.04446	1.1
111.11812	0.9
115.03944	1.1
116.21159	0.9
119.04952	0.9
119.08611	4.4
121.06534	1.6
121.10162	7.8
123.04411	2.8
123.08067	2.0
123.11700	2.0
127.03921	43.8
131.08559	1.6
133.10153	4.0
135.04390	0.8
135.08096	1.4
135.11700	0.7
135.30463	0.7
137.05975	9.4
137.09595	3.1
139.11169	8.5
141.05472	4.4
143.03371	2.6
143.08511	1.0
145.04970	7.9
145.10107	1.7
147.04401	1.8
147.08105	1.1
147.11652	2.4
149.02371	5.2
149.09622	1.1
149.13243	0.9
149.97603	0.9
153.12709	1.4
159.11702	1.0
161.09581	3.5
161.13240	1.3
165.05482	100.0
173.04468	5.8
175.11194	4.6
177.09094	1.1
179.08624	0.8
179.10648	2.6
183.06493	2.9
183.07982	1.0
189.12717	0.8
193.12195	2.0
203.10657	1.5
205.06400	0.9
206.07278	0.9
207.07846	0.8
213.12820	0.9
217.15756	0.9
221.11728	42.6
227.05418	3.7
234.06828	2.1
235.07544	1.4
239.12753	14.1
245.06598	8.7
247.13261	0.8
260.11960	0.8
262.06180	3.0
263.07043	1.6
265.04773	1.0
277.08539	2.1
281.07928	0.8
281.13889	3.5
284.11508	0.9
290.05667	1.2
293.07864	0.9
297.07306	1.1
305.08087	3.9
308.06744	3.0
311.14883	6.7
321.07639	1.1
322.08258	1.0
323.09122	2.1
329.13840	0.9
333.07608	1.9
336.06183	1.7
337.06982	0.9
347.14914	10.4
347.21759	1.1
351.08618	18.0
352.09338	1.0
355.12067	1.8
365.10739	1.2
365.16000	18.9
383.11243	9.6
383.16574	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.9
55.01879	2.0
57.03445	2.3
58.21392	2.0
59.04988	2.4
61.02921	4.6
68.99773	2.4
69.03442	16.6
69.62808	6.2
69.63237	8.0
71.04986	7.6
73.02905	4.6
79.05445	1.9
81.03426	15.5
81.07055	3.1
85.02906	82.7
87.04466	3.3
97.02902	26.6
99.04456	40.7
103.03948	84.8
103.62277	2.1
109.02889	17.6
117.03362	2.1
127.03922	100.0
145.04967	69.3
147.04395	2.5
160.08716	21.8
163.06027	37.1
177.05499	6.3
185.08051	2.7
185.15419	6.2
187.06026	5.7
203.09286	10.3
203.16505	2.4
205.05051	2.9
205.07028	4.0
207.06589	4.5
237.07567	4.1
237.96884	2.1
245.10207	5.9
253.84001	2.6
255.28983	2.2
261.07605	2.8
271.08041	6.4
279.08701	13.3
307.10056	3.1
350.67322	2.4
383.13010	4.3
392.05103	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.0
57.03439	3.7
61.02924	5.3
68.99787	5.2
69.03434	15.5
71.04983	6.7
71.21394	3.6
71.21718	3.6
79.02126	2.7
81.03429	15.6
85.02905	81.3
87.04449	5.0
91.05496	5.0
93.07058	2.4
94.67313	2.6
97.02898	29.9
99.04464	40.4
103.03949	96.0
109.02245	3.0
109.02884	18.9
119.04939	6.4
121.06429	5.1
127.03922	100.0
129.01851	5.0
131.04939	3.6
137.05911	2.8
138.07008	2.6
145.04964	58.5
145.06512	5.3
146.03699	3.8
147.04407	12.4
149.05989	4.5
154.02623	2.6
160.08713	76.8
163.03955	3.2
163.06049	37.1
164.04739	4.7
169.04979	5.3
172.05132	2.5
175.03896	3.7
177.05432	13.3
185.15404	7.8
186.06674	16.7
187.06046	3.1
192.04167	3.8
201.05493	4.6
203.09271	31.5
207.06566	15.7
209.07982	3.8
218.90866	2.7
219.06448	4.5
221.08096	4.0
222.05159	4.9
233.08147	11.5
235.06122	2.9
237.07642	11.9
245.10222	6.1
247.06001	5.0
255.40532	3.4
261.07547	18.9
271.08231	4.0
279.08676	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	383.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
55.01868	2.1
56.96566	1.4
57.03419	2.4
61.02914	4.3
69.03439	12.7
70.69932	2.9
70.70265	2.6
71.04984	1.5
73.02916	2.4
74.02447	1.8
81.03424	8.0
82.02941	3.1
85.02904	37.2
87.04462	1.6
93.10184	1.4
94.06554	1.7
97.02908	10.5
97.38966	1.4
98.97589	2.5
99.04414	2.7
109.02852	4.1
117.05811	1.6
118.06568	6.6
127.03895	5.1
130.06525	52.8
130.07503	2.6
132.04454	13.7
132.08076	4.7
142.06537	2.2
143.07294	1.8
144.06935	2.4
144.08069	23.7
145.05046	2.8
145.07605	22.4
146.05981	9.5
148.07597	3.7
154.06511	5.8
156.06880	1.4
156.08095	4.3
157.07610	59.3
158.06023	50.7
158.07303	2.9
158.08241	1.8
158.99658	1.7
159.09169	10.4
160.07607	3.6
160.38068	1.7
168.08035	1.5
169.07561	8.1
170.05991	2.3
170.08278	1.9
171.06815	2.1
171.09175	8.5
172.07567	9.5
174.05453	7.8
175.08670	51.6
176.07089	2.3
181.07594	4.7
182.06018	2.1
182.08374	3.3
183.09181	16.7
184.07599	4.2
185.07065	11.7
186.05518	4.0
186.07785	2.7
187.08672	2.4
188.07085	2.7
197.07112	2.7
199.08681	12.4
200.07086	17.8
201.10182	2.9
202.07155	1.7
203.08162	100.0
204.06508	4.1
207.09221	1.9
209.07095	9.5
213.06572	1.6
215.08226	2.3
216.08946	3.5
217.09732	27.8
221.09193	57.5
224.07034	1.7
227.08134	11.4
228.06561	4.0
231.07608	8.3
243.07616	2.1
245.09238	25.3
257.09198	2.4
263.10281	52.7
269.09137	2.1
274.10587	1.6
299.10123	9.4
302.10172	2.1
311.10339	3.1
329.11249	3.7
347.12430	11.2
348.10754	11.3
353.33688	1.7
365.13455	36.7
383.14502	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	383.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43757	0.3
69.03420	0.4
69.57211	2.2
85.02885	0.6
97.02808	0.4
127.03939	0.5
135.04178	6.9
145.04964	0.7
163.08731	0.5
188.10762	0.4
207.07678	1.7
221.07841	5.8
242.11688	0.6
271.07941	0.7
323.12384	0.7
366.12915	2.9
373.98209	0.3
383.13126	100.0
384.13403	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	6.3
57.07058	0.3
57.57811	0.3
64.90863	0.3
69.95184	0.6
69.95580	0.6
71.58485	0.2
71.95274	1.6
98.20713	0.3
98.97581	100.0
99.97926	0.4
105.03373	2.4
112.18829	0.2
116.98620	43.0
117.98967	0.3
119.63170	0.2
128.29543	0.3
131.38231	0.2
134.99657	10.9
135.02863	0.5
140.00175	1.3
145.01395	0.5
153.00723	0.6
158.01228	0.6
158.20230	0.3
163.02422	0.4
174.97626	0.7
177.00851	0.3
181.03479	1.4
181.97449	0.4
189.00339	5.9
197.02879	0.4
199.04506	0.7
207.01372	7.2
216.98764	1.5
217.98944	0.4
225.02580	0.8
234.99753	1.6
235.99899	0.7
240.98627	5.4
243.03508	1.7
248.04059	1.1
256.96655	0.3
257.96878	0.7
258.99762	67.4
259.99976	1.3
261.03232	0.3
266.05066	0.8
274.97562	1.1
275.97922	0.7
277.00815	70.3
278.00955	1.1
279.01266	0.4
282.01349	1.5
283.00018	1.1
284.99756	0.3
292.98535	0.4
295.01974	0.5
297.14316	0.3
298.97726	0.8
299.97910	1.1
300.02396	1.7
301.01093	1.1
316.98798	0.9
317.98929	2.2
341.98801	1.1
342.15543	0.3
355.15894	0.9
358.99878	0.5
360.00043	2.5
360.16461	4.3
378.17612	11.3
382.99786	2.7
401.00989	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	382.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91934	1.3
55.01860	2.4
55.05495	2.0
57.03421	3.4
59.04990	1.3
61.02905	1.1
65.33644	1.0
67.05510	1.2
69.03425	3.2
69.07075	11.7
69.34393	1.1
70.66928	2.6
71.04974	2.1
79.05491	4.7
81.07041	3.0
83.04996	6.9
85.02902	19.8
87.04467	1.4
93.07041	4.6
95.08601	3.4
97.02873	3.2
99.04458	9.4
101.02377	7.2
104.71429	1.1
105.01855	2.2
105.07041	5.8
106.45349	1.4
107.08599	26.8
111.03701	2.5
111.04447	38.4
121.10161	8.9
123.08059	2.0
125.09702	1.3
127.03919	3.5
129.05481	2.0
131.08533	2.3
139.11206	14.8
145.04875	1.7
149.09634	20.2
158.10046	1.2
161.79594	1.2
166.08540	1.9
167.10684	22.4
185.11737	100.0
203.12785	4.7
247.06026	1.8
267.20847	1.3
396.30182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01863	3.1
55.05506	2.5
61.02936	0.9
62.06079	0.9
67.05495	2.4
69.03434	2.2
69.07072	10.9
69.89916	3.5
71.04985	2.4
73.02924	1.6
79.05490	4.3
81.03416	1.9
81.07058	2.0
82.44759	1.0
83.04977	6.5
85.02435	1.2
85.02908	18.1
85.06429	0.8
86.09702	1.1
91.05424	1.4
93.07053	4.5
95.04937	1.1
95.08595	2.8
97.02891	3.0
97.06499	2.2
98.20789	1.1
99.04454	8.7
101.02398	6.1
105.07024	4.9
107.08599	26.8
109.02899	1.6
109.10077	1.0
111.04443	27.5
121.10145	7.7
123.08034	1.3
125.05943	1.8
127.03909	2.5
129.05489	1.4
131.08537	2.9
133.93166	0.8
137.09549	0.9
139.10130	0.9
139.11192	14.3
149.09621	17.5
157.12291	1.4
167.10683	21.5
181.04961	1.2
185.11737	100.0
202.04932	1.0
203.12781	6.7
208.42157	0.9
219.32076	0.9
220.09766	0.9
223.10837	1.0
268.28656	0.9
271.59421	0.8
276.30511	0.8
369.03134	0.9
382.11081	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1712
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
57.07071	2.6
59.05003	1.4
61.02927	1.0
67.05508	1.3
69.03410	1.2
69.07062	2.6
69.80404	4.1
70.02950	1.9
72.04520	6.8
73.02940	1.3
74.02458	0.7
83.04990	0.9
85.02895	4.6
85.06548	3.2
86.09668	0.7
87.08096	1.1
90.05563	49.3
95.04957	3.4
96.08122	1.0
97.02929	1.3
98.02422	7.2
99.08130	0.8
100.03986	1.2
103.07607	3.7
113.06002	2.7
116.03474	6.5
120.08135	1.4
124.07581	7.0
127.03939	1.0
131.07040	1.1
140.15897	0.7
142.08720	3.6
154.15088	0.6
160.09622	0.7
166.08583	0.9
174.11253	1.2
184.09702	9.3
184.11169	1.0
202.08836	0.8
202.10771	17.3
220.11819	100.0
303.30057	0.7
307.37173	0.8
368.83200	0.8
385.71680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3155
Annotation	Phycomysterol A
Peak:m/z	Relative Intensity
53.01944	1.9
55.05519	9.4
57.07076	4.9
67.05515	21.8
69.03440	2.1
69.07076	20.0
69.66028	12.3
71.04981	2.6
71.08646	2.3
79.05501	22.0
81.07070	52.1
82.27210	1.9
83.04981	2.5
83.08617	8.9
85.06574	2.8
91.05492	23.2
93.07048	35.2
95.04974	3.7
95.08612	48.7
97.10173	4.3
105.06382	3.7
105.07042	44.3
107.04935	3.9
107.08608	48.9
109.06528	9.5
109.10165	35.1
111.11697	1.9
117.07059	10.4
117.91080	2.3
119.08604	42.5
121.06530	3.4
121.10153	36.1
123.10917	3.1
123.11720	23.9
125.09643	2.1
127.00796	1.9
128.06299	2.0
129.07007	6.2
131.08580	25.1
133.10147	26.4
135.08070	5.2
135.11714	23.8
137.13301	10.1
142.07808	2.6
143.08577	9.7
144.09355	3.4
145.10135	25.0
146.03992	2.1
147.11708	29.5
149.09612	8.3
149.13275	13.5
151.11134	1.8
155.08661	4.1
156.09393	2.1
157.10126	17.6
158.10960	2.6
159.11729	30.2
161.09605	2.3
161.13261	13.7
163.11278	2.7
163.14879	7.7
169.10132	6.7
171.11731	12.1
173.13307	14.9
175.11195	5.5
175.14845	6.0
177.12813	5.0
177.16446	4.6
183.11731	6.4
185.13306	14.2
187.11241	3.3
187.14799	11.5
189.12755	4.9
189.16380	25.7
191.14330	2.5
191.17981	22.5
193.12172	2.3
195.11839	3.8
196.12579	1.8
197.13264	8.1
199.14854	10.5
201.16388	16.5
203.17986	7.0
205.19533	4.0
209.13248	2.9
211.14897	5.5
213.16315	10.2
215.18030	7.2
217.15938	2.6
217.19469	3.6
223.14862	2.9
225.16414	8.3
227.18005	9.3
229.15962	2.1
229.19547	5.1
235.14877	2.2
239.18002	6.9
241.19571	8.8
243.17444	4.2
245.15334	3.6
253.19644	3.9
255.21095	5.5
267.21088	3.4
279.21075	5.1
281.22772	3.9
293.22592	3.5
295.24146	5.4
297.22153	9.6
297.25864	12.6
307.24292	2.8
309.25705	3.2
337.25278	2.7
339.26782	2.4
353.32068	3.0
363.26706	12.4
363.30502	31.2
381.27686	35.5
381.31589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91392	2.1
53.03946	3.3
55.05513	27.8
56.96556	2.0
57.07081	19.1
67.05511	21.7
67.22952	1.7
69.03433	6.4
69.06723	3.5
69.07075	50.0
69.28540	18.1
71.04996	2.0
71.08644	9.6
76.51590	1.9
79.05508	13.2
81.07062	100.0
83.04988	3.3
83.08626	52.9
85.06535	8.6
91.05461	4.8
93.07049	27.6
95.04967	4.7
95.08615	75.6
95.09241	3.7
97.06535	5.7
97.10179	24.8
99.08058	4.0
101.06041	2.2
105.07053	14.3
107.08602	25.4
109.06530	5.5
109.10162	45.1
111.08091	5.2
111.11705	16.5
115.07569	5.2
117.07061	3.3
119.08605	15.5
121.10163	16.7
123.08083	8.4
123.11719	29.8
125.13279	8.8
127.07562	5.1
129.09145	4.8
131.08585	5.0
133.10153	12.3
135.08112	4.4
135.11681	22.1
137.09630	5.5
137.13243	16.9
139.11206	2.2
139.14856	2.6
141.09120	2.6
143.08611	2.2
145.10170	6.6
147.11667	12.2
149.09613	3.6
149.13251	11.1
151.11172	9.2
151.14841	7.4
153.09158	2.7
155.10641	5.4
157.10081	2.1
157.12285	2.0
159.11661	10.0
161.13300	5.1
163.11217	2.9
163.14828	6.4
165.12764	11.7
167.03139	1.8
167.10739	3.4
169.12209	4.7
173.13307	5.5
173.60652	1.9
175.14832	12.9
177.12749	9.1
177.16284	1.9
179.14323	6.1
181.12363	3.2
183.13837	8.6
187.14838	3.5
189.16374	3.7
191.14326	4.0
193.15910	5.2
195.13802	14.9
196.43999	2.3
197.15393	2.0
201.16490	3.0
203.18019	3.2
205.15938	3.1
205.19359	2.6
207.20850	2.4
209.15286	3.7
221.18961	2.6
229.19576	4.0
237.18425	2.4
247.20703	3.2
251.20102	2.9
261.25928	4.5
265.21750	5.4
267.34067	2.3
275.27429	5.5
279.13528	2.1
285.25803	7.4
293.28397	2.8
298.82257	1.8
303.26892	7.9
321.27893	52.2
339.29013	37.0
359.10654	3.0
381.23746	3.8
381.28357	9.5
381.35291	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	381.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81571	1.3
53.73537	1.3
55.01878	1.6
55.05513	8.8
57.07076	2.2
66.07813	1.7
67.05516	10.0
69.03434	10.0
69.07057	12.3
69.47690	9.2
69.48104	3.2
79.05502	16.0
79.58900	1.5
81.03411	4.9
81.07065	29.2
83.08596	5.2
85.06535	2.3
91.05491	19.1
93.07052	21.9
95.04961	6.0
95.08617	24.8
97.06550	2.4
105.06379	2.8
105.07043	31.3
107.04949	4.5
107.08601	27.2
107.46317	1.5
109.06511	4.7
109.10185	14.1
111.08046	2.0
117.07031	10.3
117.08804	1.7
119.08589	39.1
121.10146	23.8
123.08090	2.1
123.11702	12.6
128.06221	2.4
129.07010	4.3
131.08569	18.2
133.06500	1.8
133.10136	26.8
135.08047	5.0
135.11714	16.3
136.51302	1.5
137.13281	5.2
139.07529	2.5
143.08614	12.6
144.09380	2.5
145.06476	2.6
145.10124	26.9
147.08060	3.2
147.11713	22.2
149.09648	3.4
149.13274	6.9
155.08582	4.6
156.09402	3.5
157.10144	15.2
158.10829	2.7
159.08041	2.4
159.11702	20.2
161.09633	7.4
161.13289	12.4
163.11253	3.9
163.14813	4.1
169.10132	6.0
171.11691	11.9
173.09615	8.3
173.13269	11.0
175.11169	7.7
175.14835	9.9
177.12779	1.8
177.16342	2.1
181.10130	2.1
182.10854	1.9
183.11729	5.6
185.13293	6.1
187.14871	9.7
189.12750	3.5
189.16397	21.0
191.10715	4.2
191.17912	2.9
193.12262	4.5
195.11729	4.6
197.13287	5.9
199.14824	10.3
201.13004	1.8
201.16377	20.9
203.17960	3.5
205.15901	4.3
207.11786	1.7
207.17476	2.4
208.12393	3.0
209.13203	2.5
211.14902	7.6
213.16368	6.4
215.14397	3.0
215.18019	4.2
217.15878	3.3
220.49632	1.7
223.14803	3.1
225.12671	2.7
225.16371	3.1
227.14442	2.6
227.17970	5.2
229.15819	2.3
229.19498	3.5
237.16348	2.3
239.18085	2.7
241.19577	1.9
243.13782	1.8
245.15497	4.6
249.16322	2.2
251.17967	2.1
252.18829	2.4
253.19534	2.3
255.20927	2.3
257.22604	2.1
263.18097	2.4
265.19525	2.0
293.19031	1.9
295.24191	15.0
307.20569	2.5
310.01212	2.1
313.21698	1.8
313.25198	7.2
319.24127	4.9
321.22168	2.1
335.27258	2.9
337.25204	2.1
339.23297	2.4
345.25848	4.6
353.28833	2.1
363.26801	31.5
381.27853	100.0
382.28305	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.5
51.02368	0.6
53.03941	1.2
53.47996	0.4
53.68457	0.4
55.01865	1.5
55.05516	4.9
57.03427	0.4
57.07078	1.4
59.04988	0.7
60.27956	0.5
65.03942	3.9
66.84911	0.4
67.05508	38.5
69.03430	100.0
69.07069	5.8
71.04999	1.3
71.56678	0.8
72.08141	0.6
79.05496	15.4
79.42691	0.5
81.03412	4.1
81.07057	14.3
83.04978	1.5
83.08619	4.3
85.06544	1.2
90.23286	0.4
91.05478	7.1
93.07043	13.8
95.04971	81.5
95.08606	20.4
96.08950	0.5
97.06548	3.1
97.10172	2.5
99.08110	3.1
105.07032	14.0
106.07377	0.6
107.04960	14.1
107.08595	16.6
109.06517	3.4
109.10152	13.6
111.08082	2.1
115.05467	0.8
117.07040	3.6
119.08584	15.3
121.06532	2.7
121.09312	1.1
121.10145	17.6
123.08064	5.4
123.11706	8.2
125.09627	2.5
127.11226	0.5
128.06229	1.1
128.43825	0.5
129.07030	2.0
131.08569	10.1
133.06490	0.9
133.10132	13.3
135.08055	9.4
135.11688	5.2
137.09633	2.3
137.13261	0.9
139.11174	2.0
141.07024	1.5
142.07784	2.3
143.08562	8.2
145.06554	0.6
145.10126	11.3
147.08057	1.8
147.11690	9.2
149.09621	3.9
149.13280	3.4
151.11177	2.6
153.12730	0.5
155.08597	3.3
156.09399	0.7
157.10130	9.6
158.10916	0.9
159.11691	11.7
161.09631	6.0
161.13257	7.3
163.11182	1.7
163.14848	1.7
165.07030	0.8
165.12779	2.0
167.08604	1.7
169.10123	5.8
170.10869	0.6
171.08124	0.8
171.11705	7.7
172.12459	0.8
173.09644	1.8
173.13258	7.9
175.11221	3.9
175.14833	3.7
177.12762	2.3
179.14372	0.8
181.10153	2.0
182.10973	1.7
183.11722	5.5
184.12422	0.7
185.13264	8.2
187.11263	1.4
187.14818	12.4
189.12755	2.5
189.16438	2.5
191.14395	1.3
193.10265	0.6
194.10883	0.6
195.11676	3.9
196.12477	1.4
197.13239	5.1
198.14040	0.6
199.14806	7.0
201.12781	1.9
201.16417	4.9
203.14296	3.1
203.17929	0.8
205.15883	1.8
207.11772	1.6
209.13257	3.1
210.13956	1.0
211.14809	5.7
213.12805	1.6
213.16338	5.7
215.14354	1.5
215.17979	2.3
217.12192	0.5
217.15944	1.6
217.19614	0.6
219.17554	0.5
221.13301	1.8
223.14810	2.2
224.15594	0.7
225.12910	0.8
225.16362	9.2
227.14323	1.3
227.17963	4.1
229.15833	3.5
229.19586	0.9
231.17447	2.9
235.14810	1.3
237.12769	0.6
237.16403	2.5
239.14308	0.9
239.17926	3.1
241.15875	1.4
241.19482	2.2
243.17340	3.1
245.19046	4.7
249.16411	1.5
251.17952	3.0
253.16167	0.5
253.19484	1.7
255.17456	1.6
255.21057	1.4
257.19022	2.5
259.20572	4.9
263.18005	1.4
265.19556	1.6
267.17355	0.9
267.21207	1.2
269.19000	2.0
269.22604	1.4
271.20621	1.2
273.22165	1.3
275.17966	0.8
277.19492	3.3
279.17630	1.3
279.21057	1.8
280.21964	0.6
281.19037	3.1
281.22720	0.6
283.20667	2.7
287.23734	1.3
289.19498	0.8
291.21167	0.5
293.19012	1.9
295.20605	5.6
295.24213	11.3
297.22208	3.3
303.21085	0.6
307.20642	1.8
309.22131	1.0
311.20288	0.8
311.23694	4.0
313.25238	12.8
314.26187	0.5
319.24042	0.6
321.22269	2.5
321.25610	1.0
323.23642	1.9
325.21802	0.7
335.27353	0.6
337.25241	7.6
339.23233	0.8
339.26779	2.4
345.25876	1.5
348.24332	0.6
351.26791	1.3
353.28391	1.5
363.26828	22.5
381.27859	95.6
382.28357	2.2
403.24457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	10.4
57.07073	5.2
59.05004	2.3
67.05514	16.3
69.03436	25.8
69.07072	14.9
69.54240	12.0
69.54646	3.7
79.05491	15.8
81.03410	4.1
81.07062	23.0
83.04996	2.7
83.08630	5.0
85.06517	2.2
86.09640	2.3
89.06040	2.7
91.05482	14.4
93.07046	24.6
95.04964	17.0
95.08606	33.0
95.35818	2.1
97.06467	2.1
99.09149	2.1
105.07036	34.4
107.04961	2.7
107.08602	36.8
109.06448	2.1
109.10162	18.1
117.07001	6.8
119.08586	39.2
121.10151	19.0
123.08051	3.5
123.11701	12.7
128.06171	3.0
129.07014	6.7
131.08569	23.9
133.06519	2.7
133.10136	27.7
135.08018	5.5
135.11716	11.8
137.13234	4.7
142.07831	3.9
143.08551	12.4
144.09373	2.7
145.10118	33.4
145.52507	2.1
147.11670	20.5
149.09557	4.0
149.13223	5.3
155.08536	9.0
156.09369	2.2
157.10170	19.6
158.07361	2.3
158.10857	2.5
159.11702	22.1
161.09581	4.6
161.13289	7.3
167.08647	2.9
169.10081	11.8
171.11676	16.3
173.09596	3.7
173.13306	14.9
175.11220	4.7
175.14818	8.2
179.08559	2.5
181.10143	3.6
183.11703	10.9
185.13309	8.8
187.14836	19.9
189.16396	38.3
191.10689	3.1
191.18007	7.0
193.10272	3.1
195.11830	5.8
196.12552	3.1
197.13234	12.4
198.98038	2.4
199.11087	2.2
199.14857	12.3
201.16402	19.3
203.17918	10.1
207.11693	2.9
209.13309	6.2
210.14017	3.0
211.14781	11.2
213.16415	8.9
215.17973	4.8
223.14798	4.0
224.15710	2.0
225.16360	7.3
227.14490	3.5
227.17999	4.7
229.15892	3.4
229.19534	3.0
233.13263	2.2
235.14676	4.2
237.16449	4.9
239.17950	6.4
241.19598	2.9
249.16336	2.4
251.18027	4.4
253.19524	6.3
255.21211	2.3
263.17807	2.2
265.19531	3.5
267.17355	2.4
277.19766	3.1
279.17590	2.6
279.20984	3.5
281.19147	2.2
283.20721	2.4
293.09052	2.5
293.22424	3.2
295.21017	2.2
295.24231	37.6
311.20175	3.2
313.25317	3.3
319.24246	7.1
335.27271	3.0
337.25085	3.3
339.23468	2.6
345.25659	5.8
353.24551	4.2
363.26807	29.5
381.27853	100.0
401.20148	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	381.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
55.05507	7.1
57.07072	1.6
67.05510	12.1
69.03428	6.2
69.07082	6.8
75.37674	1.2
79.05494	9.1
81.07059	21.0
83.04966	3.0
83.08608	2.6
85.02917	1.5
85.06525	3.2
91.05481	11.5
91.69800	1.4
93.07053	19.1
95.04974	4.7
95.08055	2.7
95.08611	30.7
97.06537	2.9
97.10187	2.8
104.04084	1.3
105.07034	23.0
107.04939	2.0
107.08599	22.4
109.06520	19.8
109.10165	24.7
111.08078	3.9
111.11771	1.7
117.07024	5.7
119.04931	1.9
119.07800	2.6
119.08589	34.3
121.06560	3.1
121.10143	19.1
123.08070	1.8
123.11681	6.0
129.07048	2.8
131.08594	11.0
133.10138	24.3
135.08043	2.7
135.11705	11.3
137.09592	2.5
142.07802	2.0
143.08585	7.2
145.10149	20.7
147.08029	3.0
147.11678	10.1
149.09624	4.3
149.13284	2.9
151.11221	8.1
155.08583	3.2
156.09293	2.0
157.10127	15.6
159.08112	2.2
159.11717	27.3
161.09651	5.9
161.13268	10.9
163.11166	6.7
169.10162	5.1
171.11739	8.6
173.09651	3.9
173.12029	1.7
173.13261	10.3
175.11195	11.7
175.14836	2.5
177.12825	3.2
179.10638	6.3
179.14307	1.6
180.09232	1.6
181.10077	2.9
182.10858	2.5
183.11682	9.0
184.12454	1.9
185.13269	6.5
187.14906	6.7
189.16420	6.2
193.12245	30.2
195.11818	2.1
197.13237	5.2
199.14807	6.7
201.12779	1.8
201.16414	7.8
203.14317	3.1
207.11665	3.0
209.13326	2.1
211.14867	3.1
213.12766	1.7
213.16397	4.5
215.17992	8.0
223.14896	1.8
225.12593	1.9
225.16455	2.4
227.17912	7.3
228.18741	2.0
229.19577	7.1
235.14906	2.1
237.16382	1.6
239.17961	3.0
241.15863	2.2
241.19768	1.6
251.18030	2.9
253.19479	8.9
256.82809	1.5
269.19040	3.8
271.20648	7.6
273.18674	2.3
275.17807	1.8
293.22513	7.4
295.24139	2.1
311.23709	1.8
319.24460	2.0
321.25836	1.6
345.25809	2.8
363.26797	24.2
371.26361	1.6
381.24057	3.9
381.27908	100.0
382.28235	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	381.152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
55.65200	0.5
67.05484	0.6
69.03413	1.9
69.07056	0.9
69.63774	1.2
69.64172	2.9
70.06572	1.6
71.04992	1.4
79.05498	1.2
81.03410	1.0
81.07043	1.2
85.02904	2.4
86.09689	0.6
93.07056	1.2
95.04993	0.8
95.08614	1.0
97.02888	0.8
97.06548	0.8
97.10152	0.9
99.04413	0.6
103.03935	0.7
105.01899	0.7
105.07044	1.3
107.08591	1.3
109.02898	0.8
109.10120	0.7
115.07566	0.7
115.11255	0.6
119.08581	1.2
120.08067	0.8
121.10140	0.8
127.03916	1.9
131.08525	0.9
136.07562	1.0
137.05899	0.5
143.08559	0.6
145.04913	1.1
145.10144	1.6
152.05675	3.4
153.06059	0.7
159.11694	0.8
166.13127	1.0
183.13704	0.8
187.07487	0.7
201.16399	1.3
219.09984	5.6
224.12842	1.1
234.80193	0.5
289.12225	0.8
321.14514	1.7
349.14063	1.0
381.15228	100.0
382.15591	1.0
385.14154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.0
55.01854	6.8
55.05513	14.8
56.46669	2.2
57.03429	6.3
61.02921	7.1
65.03934	3.2
67.05508	32.9
69.03429	31.2
69.07068	13.7
71.04967	6.7
71.55499	3.8
73.02895	5.1
79.05494	24.1
81.03423	27.5
81.06588	4.3
81.07059	77.6
83.04968	10.1
83.08610	8.7
84.08121	2.5
85.02434	4.2
85.02910	63.8
85.06539	5.7
87.00813	3.1
87.04445	3.0
91.03976	2.7
91.05476	29.8
93.07046	45.7
94.06554	2.4
95.04987	12.0
95.08065	3.6
95.08612	59.0
97.02882	22.3
97.06543	6.5
97.10166	3.2
99.04450	7.7
103.05471	6.1
105.03395	4.1
105.07033	69.0
107.04947	6.5
107.08603	60.8
109.02888	11.6
109.06503	10.6
109.10163	33.9
111.04427	5.2
111.08108	3.2
115.05418	4.3
117.07024	19.5
119.04878	3.2
119.08592	50.2
120.65076	2.1
121.06480	4.9
121.10146	44.2
123.04395	4.3
123.08035	6.5
123.11691	9.8
125.09641	6.6
127.03919	15.6
128.06259	5.2
129.06985	7.0
130.07762	4.0
131.04890	8.8
131.08577	33.8
133.06477	3.3
133.10132	27.5
135.08043	7.4
135.11667	11.2
137.05972	13.6
137.09608	5.6
141.07013	3.4
143.08527	15.0
144.09329	5.0
145.04938	8.2
145.06436	6.8
145.10129	71.2
147.08035	5.6
147.11679	22.9
149.09618	5.8
149.13237	8.3
153.06996	3.5
155.08530	3.4
156.09360	2.5
157.10132	12.8
159.08070	4.6
159.11711	54.3
160.05156	5.2
161.05978	11.2
161.09633	4.9
161.13274	35.1
163.07530	13.5
163.11218	6.3
169.10072	8.0
171.08009	4.6
171.11647	6.4
173.05920	3.3
173.09599	2.9
173.13257	19.9
175.07593	17.4
175.14818	7.5
177.05475	3.7
177.09097	7.0
177.12805	4.1
177.16422	5.1
181.06464	5.3
183.11685	2.9
185.13287	3.3
187.07538	9.8
187.14819	3.1
189.09093	4.9
189.12727	4.0
189.16331	3.2
191.07025	7.1
191.14307	3.7
191.18013	3.5
196.78120	2.4
197.13280	4.7
199.07471	4.0
199.14793	6.2
201.12796	4.5
201.16389	100.0
203.06987	6.2
203.17981	18.3
205.08540	7.9
207.43443	2.9
211.14861	5.2
213.09128	5.1
213.16441	5.5
215.07127	3.8
217.08568	4.0
217.15837	7.2
219.10089	6.1
219.13794	2.9
219.17451	38.9
223.14905	2.7
225.16327	2.9
227.07089	4.7
231.10167	6.3
231.17526	2.8
237.18510	6.6
241.08536	4.8
243.17415	3.4
259.09537	14.1
261.18472	4.6
277.10703	15.5
285.18427	3.3
317.21048	2.9
327.19540	6.5
345.16876	4.0
345.20621	11.9
363.21744	16.4
381.09833	7.9
381.23041	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
63.83930	2.3
70.57102	6.6
103.05469	1.9
172.26430	2.2
201.01627	3.6
254.84164	2.2
315.00317	1.9
357.40796	2.1
381.07928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22473	0.7
55.01876	1.0
56.96292	1.6
56.96568	23.6
57.03439	0.8
60.13868	0.7
61.02927	1.0
64.70897	0.7
69.03428	1.7
70.98098	1.0
71.54726	0.9
71.95263	0.9
73.02907	1.0
81.03448	0.7
84.96054	4.5
85.02912	5.2
97.02917	2.6
98.97591	92.3
99.04452	1.1
100.07630	1.0
100.99149	1.9
101.00838	1.1
102.96896	0.9
103.02497	0.8
110.97572	17.3
111.01279	0.9
112.99147	14.2
113.00866	1.1
115.00712	8.3
115.02420	2.1
116.07098	3.6
116.98630	19.7
119.00120	0.9
119.01905	2.1
124.99137	1.3
127.00732	1.2
127.03939	1.3
128.98598	9.7
129.02258	14.2
129.03906	1.0
130.99503	0.6
131.00211	6.8
131.01852	1.6
133.01749	5.2
133.03464	2.7
134.83604	0.7
134.99654	1.5
139.00708	0.9
140.98610	1.6
141.02245	5.8
143.00177	3.4
143.01923	2.2
144.98125	0.8
145.01695	3.0
146.08064	1.0
146.99699	3.5
147.03307	7.9
149.01212	2.4
151.02774	1.1
152.98615	1.7
155.01897	2.4
157.01732	3.2
157.03453	1.1
158.99681	22.5
159.03284	18.6
159.05107	1.7
161.01218	2.8
161.02895	1.0
162.63252	0.8
162.99170	0.8
163.02701	3.0
163.04271	1.0
170.99724	5.4
171.03317	6.7
171.05026	2.2
173.01237	5.0
173.02867	1.6
175.02782	2.6
175.04311	1.0
177.00775	11.0
177.04359	35.3
177.05661	1.8
178.05035	0.8
183.03322	8.1
183.04955	1.6
187.02812	1.3
189.00780	3.8
189.04356	8.0
189.06064	1.1
191.02330	2.1
193.03749	0.9
195.05418	8.5
195.07060	1.3
199.02791	0.8
201.00699	8.0
201.04395	19.8
203.02332	0.9
203.04140	1.2
205.03870	2.8
213.04280	1.2
217.03900	1.4
219.01785	32.2
219.05382	11.5
219.07236	4.4
220.06085	1.1
221.05078	3.1
223.04865	1.6
225.04266	1.0
231.05313	2.7
231.07310	4.0
233.03194	0.9
233.06876	1.3
233.08932	1.2
237.02834	28.3
237.06404	1.2
243.05444	2.6
245.05063	4.5
247.04990	2.3
251.04280	1.3
255.07269	1.5
257.30655	0.7
261.02759	1.7
261.06451	2.5
265.05933	1.5
275.98764	0.8
277.05856	2.1
279.03915	1.3
295.07117	3.2
303.07410	1.6
308.09082	0.9
317.06113	1.0
321.08322	100.0
339.09644	50.9
381.06757	4.2
381.11392	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.01870	3.0
55.05499	3.0
67.05493	5.8
69.03416	4.9
69.07059	5.3
70.06584	5.8
70.09380	8.5
71.04999	53.7
72.08153	8.1
74.00663	6.4
79.05504	18.0
81.03431	2.2
81.07058	14.8
83.04957	3.2
84.04498	5.6
84.08126	5.0
85.02892	11.0
85.06524	4.8
85.75367	1.5
86.09713	3.1
86.48567	2.5
87.04464	3.1
91.05468	6.4
93.07067	14.2
95.04995	2.2
95.06207	1.8
95.08614	12.5
97.02883	4.9
97.06515	6.0
98.21479	2.5
98.97571	2.1
99.08061	3.0
104.98314	4.5
105.07044	13.0
107.08594	13.5
109.06573	2.8
111.08138	2.6
113.06049	2.2
119.08598	7.0
120.08103	8.6
121.10114	9.3
123.08047	6.3
123.11727	3.3
127.03905	4.2
127.08612	1.9
130.05000	6.1
131.08536	2.1
131.66626	1.8
136.07521	1.9
137.09612	4.4
137.13251	3.7
141.09097	2.0
142.08679	2.6
143.07040	3.1
147.11694	21.0
148.02499	4.6
164.07024	3.1
165.09120	3.7
165.12772	100.0
166.08679	3.0
177.03291	3.6
182.08080	2.3
183.10268	8.8
183.13812	48.6
187.08704	1.7
187.10742	7.7
199.08630	3.0
201.11235	5.8
214.97881	1.9
215.08266	2.6
215.10231	3.0
239.08252	4.3
241.09714	4.2
242.10078	11.4
243.07565	2.0
245.09164	2.2
251.05255	4.2
253.08435	2.5
267.07690	15.5
272.67532	2.0
284.11230	3.5
285.08551	11.5
288.13660	2.0
289.08267	2.9
303.13422	2.2
312.10587	3.7
313.08133	8.4
331.09277	15.3
344.13092	6.1
349.13773	2.7
362.14166	6.5
363.11780	2.6
380.15399	33.2
380.20221	3.3
381.12741	3.5
381.16943	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	380.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06402	0.6
52.66613	0.7
52.68555	0.6
55.01868	1.8
55.05511	1.8
55.64121	0.8
56.56787	0.5
57.03442	5.3
59.04988	2.0
60.04568	0.6
60.38897	0.6
61.02928	1.6
67.05505	1.4
69.03435	13.0
69.07075	3.1
70.06597	1.8
71.04997	4.1
71.80991	0.7
72.08133	1.3
79.05480	0.9
81.03414	2.2
81.07049	1.2
83.04983	1.5
84.04526	2.6
85.02910	18.0
85.06538	0.9
86.09729	3.9
87.04472	100.0
91.03943	1.3
91.05524	0.9
94.72465	0.7
95.04971	1.8
95.08574	0.7
97.02887	5.1
97.06544	3.2
99.04492	1.7
109.02887	1.5
114.03743	1.8
115.03896	1.0
115.07576	7.1
116.01718	1.5
119.08565	1.0
120.08111	4.9
121.06478	0.9
123.04427	0.9
123.08100	1.0
127.03932	7.6
130.04970	1.1
130.99849	1.0
131.17973	0.8
137.09590	1.2
144.01093	1.0
145.04948	14.5
145.06013	1.1
147.08057	0.9
148.02528	2.0
151.74977	0.6
153.05492	0.9
162.02184	1.1
163.06012	6.4
165.09102	1.0
165.12810	1.6
167.06992	0.9
169.08562	1.2
171.06566	3.0
176.01996	1.3
183.06538	1.5
183.10211	4.4
183.13725	1.1
201.11279	4.9
213.07643	2.6
217.06409	4.5
231.08766	2.5
233.16510	2.6
249.09613	4.0
276.12415	0.8
279.61459	0.7
380.21506	0.7
380.26395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25818	1.1
53.28475	0.9
55.01860	1.8
57.03439	6.8
57.81002	0.9
64.51041	1.0
67.05478	0.9
69.03430	14.0
69.07056	2.6
70.06583	1.8
71.04999	6.8
71.55236	1.8
72.08144	2.2
81.03421	1.7
81.07060	2.5
83.04962	1.2
85.02911	18.4
85.06521	1.2
86.09675	1.7
87.04471	100.0
91.05481	1.7
93.07072	1.6
95.04949	2.1
97.02892	7.1
97.06503	2.6
99.04377	1.6
105.07001	1.9
107.08618	1.5
109.02876	1.8
115.07583	8.6
119.08568	1.9
120.08122	8.3
121.10149	1.7
123.08105	1.3
127.03915	7.0
130.06491	1.6
137.05962	1.4
137.09669	1.4
145.04982	13.3
147.11533	1.1
163.06038	5.2
164.07043	1.5
165.09111	3.0
165.12709	1.5
167.06892	1.0
171.06602	2.5
183.06514	2.1
183.10115	6.9
195.49940	1.0
200.09019	1.1
201.11186	5.6
213.07599	2.5
228.08417	1.9
228.12019	1.1
231.08582	3.7
235.10735	6.1
241.09674	2.9
242.10086	7.4
245.09447	1.3
249.09758	2.7
253.08434	1.1
256.11517	1.7
260.11258	1.2
263.10242	1.8
284.11124	3.6
296.29108	0.9
312.10544	3.0
330.11566	1.4
331.09064	1.5
344.13159	3.9
362.14194	4.6
380.15271	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	379.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53724	1.4
53.03947	5.6
55.01867	3.5
55.05513	28.9
57.03433	5.2
61.02936	1.6
67.05477	1.5
68.18559	1.5
69.03431	30.0
69.57221	8.5
71.04993	12.6
72.35839	1.4
73.02912	2.4
73.06559	73.4
73.06976	3.6
78.34853	1.7
81.02981	2.7
81.03419	35.6
83.01345	1.7
83.04990	3.1
85.02908	72.8
97.02898	65.4
98.20753	2.8
99.04462	46.9
101.02354	1.9
101.06020	64.9
103.03948	58.1
103.04660	2.4
109.02882	31.7
111.04455	1.9
115.07571	6.1
127.03922	100.0
129.05476	2.7
131.07014	2.0
141.09116	3.8
145.04958	18.9
153.09099	3.6
157.08586	10.7
160.22920	1.4
169.08574	3.5
181.08623	5.9
182.09015	1.8
187.06044	6.3
187.94649	1.6
199.09656	17.8
216.08875	1.6
217.10762	9.0
235.11743	2.0
253.07065	4.2
259.11786	32.7
271.08163	3.0
277.12949	2.0
299.88846	1.5
338.51959	1.5
343.13754	2.8
379.09906	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	379.1598
Annotation	Lamiol
Peak:m/z	Relative Intensity
53.03954	7.9
55.01855	2.4
55.05516	20.7
57.03436	4.6
69.03432	28.7
69.07033	1.6
71.04988	8.5
71.10027	4.2
73.02930	2.5
73.06557	58.2
73.54188	1.6
81.02978	3.0
81.03423	31.4
83.04955	2.0
85.02905	73.3
86.09698	6.9
88.44483	1.6
97.02287	3.6
97.02891	51.7
99.03840	3.1
99.04453	42.1
101.02345	1.8
101.06020	48.7
103.03941	47.4
109.02889	26.7
111.04478	2.1
113.06015	1.9
115.07582	4.1
117.05545	2.0
127.03916	100.0
131.61630	1.8
141.09070	2.3
145.04971	16.4
156.69810	1.8
157.08594	9.6
169.08571	4.9
181.08583	4.0
187.06044	10.0
199.09668	10.0
199.83701	2.0
217.10706	8.3
244.40891	2.1
253.07109	2.5
259.11777	25.0
271.08057	5.3
343.13867	1.7
379.09937	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
55.05508	0.6
59.41644	0.3
64.71355	0.4
67.05496	0.6
69.03400	1.0
70.06602	0.5
71.04994	0.5
71.42901	0.6
72.08152	0.8
79.05481	0.8
81.03430	0.7
81.07051	1.3
85.02904	1.7
85.06512	0.7
86.09710	0.6
87.04446	0.5
91.05489	0.8
93.07049	0.6
95.04949	0.6
95.08605	0.9
97.02914	0.9
97.06524	0.6
99.04412	0.5
105.07027	0.8
106.06535	1.9
107.08584	0.6
108.04494	0.8
109.02886	1.0
119.08601	0.6
120.08136	0.7
121.10137	0.8
124.07659	0.5
127.03923	0.9
129.06886	0.5
131.08577	0.5
132.04462	0.9
143.08533	0.7
145.04945	0.5
145.10120	0.8
159.11691	1.6
161.07129	0.9
163.11172	0.6
165.09184	0.4
167.07037	0.7
181.04933	1.1
181.12192	0.9
185.07100	1.6
186.07899	0.8
187.08739	3.9
198.07935	0.8
199.08672	10.3
199.14871	1.0
200.09512	0.9
201.10207	1.3
201.16257	0.5
207.06589	1.0
211.12288	2.1
212.09439	0.8
213.06749	2.4
213.10251	8.4
217.15897	0.8
227.08182	10.1
227.11714	7.3
228.08873	0.9
229.09769	1.5
237.10297	0.8
239.08086	0.6
239.11891	0.9
241.09727	44.5
242.10168	0.6
245.09233	4.6
247.10814	4.4
255.07739	2.6
255.11301	13.0
257.12817	0.6
258.10083	0.5
259.10776	9.1
267.07819	1.1
273.08755	1.8
273.12354	1.5
283.10770	16.0
284.11441	0.4
287.10315	2.1
287.13727	0.8
300.98541	0.5
301.11902	1.4
305.11362	5.0
311.10266	15.5
315.13440	3.9
317.14966	0.7
319.12820	0.9
329.11319	4.9
333.14413	0.8
343.12875	15.5
347.12384	0.8
360.59811	0.4
361.13940	23.6
362.14200	0.7
379.15012	100.0
380.15494	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01852	1.4
55.05484	1.2
55.33488	0.5
57.03382	0.8
59.60862	0.5
67.05461	0.7
69.03430	3.0
70.06564	1.2
71.04960	0.9
73.02812	0.6
73.06523	1.2
81.03417	3.3
85.02907	8.0
85.03683	0.5
87.04465	4.0
88.04787	1.3
91.05444	0.9
93.07007	2.0
95.04931	1.1
97.02861	2.0
97.06461	0.5
99.04448	3.0
101.05994	0.9
103.03954	5.0
109.02885	3.5
113.05985	0.8
113.09676	0.5
114.06267	0.5
121.06519	0.7
122.05981	0.8
122.06821	0.8
124.05073	1.0
127.03922	10.1
130.05017	0.7
138.06264	0.6
145.04927	1.1
149.04536	1.5
160.11165	0.6
166.07292	0.6
167.06735	0.7
181.08679	3.0
182.08943	4.4
187.06042	0.9
189.06429	1.4
199.09636	2.4
199.13309	1.0
200.09991	3.8
201.06575	1.2
202.07236	3.2
203.08072	2.6
204.08821	11.5
215.08020	2.1
216.08810	100.0
217.09592	5.7
218.10365	10.0
225.06497	3.5
226.07257	2.2
227.07990	1.3
228.08788	1.4
229.09592	1.9
230.10355	10.8
238.18004	1.3
240.08812	23.3
241.09566	1.4
242.10374	5.4
244.08363	2.2
246.09871	13.2
258.09866	6.8
268.08386	1.3
283.09445	1.6
286.09354	30.9
315.12109	2.3
329.09982	1.1
333.13098	2.6
334.17459	0.8
343.11719	0.9
347.11041	3.1
361.12598	6.5
379.13690	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	378.3004
Annotation	N-arachidonoyl dihydroxypropylamine
Peak:m/z	Relative Intensity
53.03938	0.4
55.05518	1.3
56.05028	1.0
56.96568	0.3
57.03454	0.3
60.04526	0.3
62.06083	1.3
67.05504	1.8
69.03416	0.4
69.07067	1.2
69.20605	0.6
69.21010	2.5
70.06583	1.6
71.04999	0.5
72.04509	0.8
72.08189	0.3
74.06094	3.9
79.05487	0.9
81.03426	1.7
81.07050	3.0
82.06562	0.6
82.07363	0.3
83.04967	0.9
83.08616	0.7
85.05296	0.6
85.46299	0.2
86.06064	0.3
86.09695	0.8
87.04472	0.3
88.07648	1.8
91.05493	2.0
93.07043	3.3
95.04975	0.6
95.08617	4.0
96.08165	0.5
97.02876	0.4
97.06558	0.5
97.10159	0.5
98.06058	2.4
99.04413	0.3
100.07629	1.1
100.11281	1.5
105.07037	3.3
106.04330	0.3
106.07365	0.3
107.04973	0.4
107.08607	3.2
109.02886	1.1
109.06542	0.5
109.10178	1.8
110.03217	0.3
111.04454	0.6
112.07621	0.7
114.09181	2.1
116.07096	2.2
119.08592	3.0
121.10155	2.3
122.06026	0.3
123.08071	0.4
123.11724	0.7
126.09198	0.4
129.06973	0.4
131.08578	1.5
133.10144	2.2
135.08037	0.5
135.11702	1.5
136.06200	7.0
137.05962	0.4
137.09560	0.3
137.91066	0.3
140.10728	0.7
142.12234	0.4
143.08537	0.9
145.10110	1.9
147.11684	1.7
149.13249	0.9
152.10747	0.4
157.10143	1.2
158.10387	0.3
159.11728	2.2
161.13260	1.0
163.24434	0.3
166.12274	0.5
171.11711	0.6
173.13258	1.3
175.14854	0.6
185.13164	1.0
187.14842	0.8
189.16455	0.3
197.13271	0.3
199.14876	0.4
207.98320	0.3
210.14864	0.5
213.16307	0.4
229.19478	0.3
247.14445	0.3
255.21028	0.4
281.22638	0.5
316.26465	0.7
333.26682	1.4
342.27933	0.9
360.28976	8.5
378.30035	100.0
379.26410	0.4
379.30240	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.4
55.05486	0.5
56.96556	1.6
57.03421	0.4
60.04528	0.9
61.02929	1.1
68.84727	0.4
69.03428	2.8
69.07065	0.6
70.06579	0.8
71.04984	0.5
71.55172	0.6
72.08155	1.1
73.02917	0.5
73.06567	0.8
74.06062	0.5
74.09723	0.8
78.26981	0.4
79.05487	0.9
81.03419	1.3
84.08100	0.5
85.02910	7.7
86.09711	1.1
87.04459	0.8
87.10028	0.5
91.03951	0.4
91.05495	0.9
94.04219	0.7
95.04941	0.6
97.02907	3.2
98.97597	2.0
99.04438	1.2
101.21455	0.4
103.03941	0.9
103.05498	0.7
105.03400	0.7
107.04914	0.5
107.08540	0.5
109.02880	1.3
110.97538	0.6
111.04442	0.7
116.98595	0.6
117.03386	0.6
119.04959	1.0
122.03663	2.1
123.04441	0.4
127.03908	2.8
131.04970	0.7
135.04384	0.7
137.05981	100.0
138.06325	0.7
139.03926	1.0
140.04652	0.5
145.02873	0.7
145.04951	1.5
147.04436	1.6
151.03923	0.9
151.07559	1.1
153.05495	1.3
158.99608	0.5
161.06001	0.6
163.03943	1.2
163.07561	2.9
171.03200	0.4
172.04387	0.6
175.07570	0.8
177.00720	0.8
177.05469	0.6
181.05023	1.3
181.08604	13.7
185.01251	0.4
199.06029	1.2
199.09650	0.6
205.08600	0.6
216.12318	0.5
219.01848	0.9
234.99043	0.6
237.02802	1.1
265.10852	0.4
277.00180	0.6
289.10858	0.5
363.04199	0.4
365.05438	0.4
379.15570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05510	1.3
56.05029	0.8
57.03443	5.9
59.05001	1.6
60.04514	1.7
61.02913	1.5
67.05505	3.2
69.03430	14.6
70.06599	0.9
71.04988	2.6
71.27510	0.7
72.34791	0.6
73.06546	1.3
79.05506	0.8
81.03420	2.1
85.02908	16.9
86.09704	0.9
87.04469	100.0
91.03959	0.9
93.07079	0.9
95.04972	13.7
97.02894	6.8
98.06054	1.0
99.04464	3.0
101.06008	2.0
103.03958	2.0
109.02890	2.8
112.02187	1.1
113.06006	20.4
115.02304	0.7
115.03999	0.8
121.06580	1.1
123.04430	0.6
127.03928	8.5
129.05429	0.9
130.03174	0.6
137.06020	2.4
138.06384	0.9
145.04950	11.0
163.05974	6.3
171.06564	2.4
181.08594	6.8
199.09653	10.4
213.07626	2.0
231.08737	1.8
249.09827	3.1
330.29578	0.7
360.23602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
53.32655	2.1
57.03444	2.8
60.04504	5.5
61.02920	4.3
67.04066	1.6
67.05505	2.2
69.03427	7.3
69.65180	5.0
69.65615	6.3
70.06586	2.0
70.63602	1.6
71.04998	3.6
72.08155	9.1
73.02895	1.9
74.09725	22.2
80.98499	1.7
81.03409	5.5
81.07047	1.9
85.02910	28.5
88.58639	1.6
91.05461	2.8
95.04974	18.2
97.02901	12.2
97.06513	3.0
98.20914	5.0
98.21497	2.6
98.97596	2.7
99.04457	2.1
103.03949	1.9
104.07101	1.8
104.71339	1.7
109.02889	5.0
115.64329	1.6
118.96577	1.4
119.04985	1.8
123.04424	16.5
125.02338	5.6
127.03913	8.7
129.05382	1.9
137.05975	6.1
140.04689	87.8
141.63420	1.6
143.07033	2.6
145.04935	7.0
147.04424	3.6
155.07034	41.3
164.35394	1.7
173.08089	2.2
180.08711	6.1
181.04974	12.3
181.08598	2.1
198.11183	1.8
199.06026	100.0
236.20882	1.7
237.02887	2.6
251.77931	2.0
360.23816	3.4
378.14429	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	377.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.05515	6.5
57.07082	8.1
66.86190	0.6
67.05523	4.3
69.07077	9.0
70.99495	1.3
71.08633	5.6
79.05504	4.6
81.03399	0.6
81.07063	18.5
83.08618	7.9
85.10175	2.8
91.05501	4.3
93.07048	5.4
95.04980	0.9
95.08620	8.6
97.10191	3.9
105.07037	7.1
107.08593	6.2
109.10150	6.0
111.11710	2.4
115.05444	1.0
117.07036	2.3
119.08591	3.9
121.10109	3.1
123.11699	2.7
125.13293	0.9
128.06253	0.8
129.07030	4.1
131.08572	4.7
133.10136	3.9
135.11700	2.2
141.07018	1.9
142.07779	5.1
143.08597	5.9
144.09418	1.1
145.10120	7.5
147.11697	3.8
149.13258	1.9
153.06979	1.6
154.07793	0.7
155.08574	15.3
156.09305	1.9
157.10144	26.0
159.08058	0.8
159.11693	5.7
161.13316	0.9
163.14883	0.9
165.07004	9.0
166.07721	1.0
167.08592	5.2
168.09293	1.6
169.10139	5.1
171.11685	4.9
173.13290	1.8
177.84686	0.8
179.08548	4.0
180.09355	10.9
181.10141	9.7
182.10921	2.8
183.11703	12.8
185.13289	5.0
187.14818	1.4
193.10172	3.2
194.10924	4.5
195.11714	51.9
196.12407	2.2
197.13268	14.3
199.14799	2.6
207.11789	2.3
208.12526	1.6
209.13284	28.0
211.14832	7.7
213.16405	1.6
220.12285	0.7
221.13268	3.1
222.14101	2.3
223.14854	11.3
225.16444	2.5
229.19252	0.9
231.20996	1.3
235.14853	3.1
236.15654	1.8
237.16412	27.5
239.17998	2.2
249.16429	1.6
250.17244	3.1
251.18001	12.4
252.18748	1.7
253.19580	2.3
257.22623	1.3
263.17859	1.5
265.19461	2.2
269.22687	1.4
271.24234	1.5
278.20169	0.7
279.21051	2.8
281.22482	1.0
291.21060	1.0
293.22568	4.4
295.23605	0.7
297.25916	0.8
307.24222	2.5
321.25803	1.2
347.27243	0.8
362.29645	0.8
377.21857	4.4
377.32056	100.0
378.32349	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59001	1.4
53.03942	1.8
55.05504	3.1
63.31482	1.2
67.05490	4.5
69.03409	2.2
69.07056	2.8
70.98923	1.8
70.99248	1.7
71.04961	1.5
79.05512	8.0
81.03427	15.0
81.07044	8.2
83.04977	2.6
91.05482	8.1
93.07041	10.0
95.04971	10.3
95.08615	10.4
97.06535	2.7
97.10146	1.4
101.14060	1.2
105.07030	10.9
107.04947	2.0
107.08617	12.3
109.06519	2.9
109.10168	3.8
111.08076	3.3
117.07036	4.3
118.15874	1.2
119.08583	10.9
121.06482	3.1
121.10146	4.2
123.11712	1.3
124.99072	1.5
129.07040	3.7
131.04907	1.9
131.08569	5.9
133.06479	3.6
133.10156	6.4
135.08052	2.1
135.11668	1.7
142.07764	4.5
143.08553	6.3
145.06477	2.0
145.10165	7.2
147.08035	3.8
147.11682	2.7
149.09601	2.1
153.07007	1.4
155.00780	1.3
155.08580	5.3
156.09351	4.2
157.10104	11.9
159.08023	5.0
159.11673	9.7
161.09637	9.3
161.13196	1.9
163.11201	2.4
163.97067	1.3
168.09357	6.5
169.10170	5.6
170.10992	1.6
171.11667	7.1
173.09613	4.6
173.13258	4.2
175.11182	12.8
180.09381	2.3
181.10146	8.0
182.10945	3.1
183.11697	55.5
184.12434	1.6
185.13277	5.0
187.14766	1.5
189.12730	3.3
193.10078	1.5
194.10837	2.3
195.11717	8.1
196.12495	1.8
197.13263	27.6
199.14841	4.8
201.12746	15.4
207.11690	2.9
208.12561	3.1
209.13237	6.2
211.11250	2.5
211.14801	4.1
215.14372	3.9
217.15776	1.5
220.12419	1.6
221.13348	3.7
223.14821	5.3
225.12740	3.6
225.16353	2.2
233.13330	1.7
235.14737	3.8
237.16382	5.4
239.14481	2.0
241.15923	1.7
249.16463	2.7
251.18060	3.0
253.15836	6.1
255.17485	1.3
259.14865	1.5
263.14612	1.6
263.17587	1.9
265.15866	1.7
265.19553	3.1
267.17578	2.4
268.18253	2.6
279.17462	2.9
283.20584	1.7
291.17569	2.7
291.21054	2.7
293.18991	6.2
305.19040	1.7
313.50204	1.5
319.20471	2.5
329.19058	1.6
333.22421	1.7
335.19968	1.7
347.24106	1.6
349.25177	5.3
359.23691	45.8
377.24750	100.0
378.25214	2.6
381.78098	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46400	0.9
53.03945	2.0
55.01880	4.9
55.05518	16.3
57.03426	2.0
59.05011	6.2
61.02925	1.7
67.05503	2.3
69.03433	13.3
69.07074	26.0
70.83047	2.0
71.04982	2.5
73.02905	3.7
79.05495	1.0
81.03431	12.8
81.07041	2.8
83.04951	2.2
83.08627	65.1
84.13760	1.0
85.02911	40.9
87.04467	2.2
87.08111	7.7
91.05490	2.2
93.07051	3.1
95.04944	2.4
95.08608	1.0
97.02898	11.0
97.06551	1.3
99.04470	4.3
101.06013	1.2
103.03922	1.3
105.05459	1.1
105.07036	3.7
107.08593	3.5
109.02908	9.3
109.06512	2.3
111.08089	37.7
113.05962	0.9
115.03947	0.9
119.08540	1.9
121.06507	1.1
123.08069	2.7
125.05942	1.3
127.03931	11.5
129.09129	100.0
131.08537	2.4
133.10123	1.8
135.08078	2.3
137.06009	1.9
139.07555	1.3
143.08490	1.0
145.04958	6.0
145.10138	3.3
147.08058	1.4
151.07539	2.7
153.09085	2.2
159.07988	1.8
159.11699	1.1
163.11263	1.1
165.09105	2.1
167.07040	1.0
173.09625	1.9
177.09143	2.0
185.07967	0.9
191.08116	1.3
207.10187	1.5
213.07451	0.9
219.10144	1.8
237.11206	2.9
241.28978	0.8
242.98697	0.8
255.12317	9.8
273.13348	16.5
289.11908	1.9
359.12030	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.05508	2.3
68.05027	9.0
69.03428	7.3
69.07075	6.3
71.04987	2.2
79.05496	2.1
81.03423	14.7
81.07056	3.4
84.08121	1.3
85.02927	8.5
94.02937	100.0
97.02897	15.7
98.20692	2.0
99.04449	5.7
100.36092	1.2
105.07038	1.5
106.52791	1.2
107.08598	2.6
109.02876	12.4
109.10157	1.5
109.31083	1.2
111.08133	1.2
111.11746	2.5
112.03973	30.7
112.04751	1.8
127.03944	12.6
136.11723	1.4
137.06029	2.3
149.87936	1.2
151.11201	1.7
162.09904	1.4
179.58228	1.3
180.11107	1.5
198.12135	1.8
222.38228	1.4
229.41734	1.4
238.07118	46.7
256.08179	28.4
273.12418	1.6
361.37894	1.4
377.13434	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1456
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03940	1.9
55.01863	0.6
57.03439	6.3
59.04984	0.7
61.02932	3.4
64.72574	0.3
67.37162	0.5
69.03430	13.3
69.54630	1.4
69.55058	1.1
70.06583	0.4
71.01368	2.7
71.04991	3.6
72.08112	0.7
73.02882	1.5
75.04480	2.0
79.05495	0.5
81.03419	3.4
81.07071	0.4
84.08129	0.6
85.02884	1.4
87.04437	0.5
91.05479	0.5
98.21576	0.6
99.04456	5.1
103.05492	0.5
105.52764	0.4
107.04943	0.4
107.08601	0.4
117.05476	1.0
117.87061	0.4
120.08068	1.5
127.03894	0.8
137.05959	3.2
137.09607	0.5
138.06267	1.0
145.07558	1.4
167.07005	0.4
170.07085	0.6
172.08694	26.3
174.10217	0.4
179.10654	1.1
184.08722	0.5
190.09779	0.9
193.05028	0.5
197.11722	0.7
198.06627	5.6
200.08186	4.7
210.10310	0.4
214.09570	0.4
215.07025	1.1
215.12697	0.5
215.14729	0.5
216.07681	13.2
243.08775	67.8
244.07147	0.4
305.19046	0.5
309.34732	0.5
315.09937	0.5
359.13715	2.9
377.14563	100.0
378.14786	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01875	5.6
55.05502	4.7
57.03431	3.2
59.54213	1.4
61.02919	4.7
67.05505	4.8
68.99802	8.8
69.03422	6.6
69.07060	2.5
70.60101	4.5
71.01350	2.9
71.04996	1.8
73.02936	1.7
77.14407	1.4
79.05492	6.8
81.03421	9.6
81.07066	7.8
83.04961	3.4
85.02908	11.8
87.00832	12.3
91.05491	6.8
93.07060	6.0
95.04960	4.5
95.08635	7.4
97.02892	5.9
97.06508	2.7
99.04452	3.4
103.05456	3.2
105.01871	1.7
105.07050	11.6
107.04942	4.2
107.08604	4.6
109.02896	10.4
109.06511	2.5
109.10186	3.5
111.04427	3.2
115.05457	7.9
116.06241	2.2
117.07026	6.9
119.04995	1.9
119.08583	8.1
121.06516	7.0
121.10126	3.0
125.02316	2.1
127.03905	2.5
128.06232	8.7
129.01863	6.3
129.07011	6.1
130.07814	3.1
131.04927	5.2
131.08571	8.2
133.06491	2.5
133.10098	5.2
135.08058	3.5
135.11690	2.2
137.05974	5.4
141.06984	13.4
142.07791	4.0
143.04932	4.0
143.08539	8.1
144.05736	11.0
145.06465	9.2
145.10118	9.7
146.07317	1.5
147.02922	1.8
147.08139	2.1
147.11679	2.0
148.05208	4.1
149.06000	2.2
152.06200	4.6
153.07010	4.1
155.04924	2.5
155.08539	4.5
157.06505	6.4
157.10130	6.2
158.07289	19.2
159.08101	10.7
159.11687	6.1
160.05200	6.6
161.05978	29.1
161.09637	6.1
162.06749	4.6
163.07521	3.1
163.11163	2.6
165.07043	4.0
166.07803	3.5
167.07338	2.1
167.08543	11.0
168.05748	2.0
169.06493	11.6
169.10188	2.1
170.07285	4.1
171.03073	1.9
171.04446	4.5
171.08029	11.0
172.05244	4.8
173.06111	2.0
173.09622	8.5
174.06758	7.7
175.07558	18.0
175.11205	2.2
177.05521	1.8
177.09154	9.5
181.06522	4.1
183.04503	2.3
183.08070	4.3
183.11684	2.2
184.05173	3.9
184.08887	2.9
185.06032	5.1
185.09608	5.8
186.06763	12.6
187.07558	41.3
187.11115	4.3
187.14821	5.2
188.04767	8.2
188.08290	3.0
189.03938	3.0
189.05490	6.6
189.09105	9.2
190.06285	5.7
191.06989	8.3
195.08078	14.5
196.08870	2.6
197.06033	5.1
197.09592	2.2
197.13249	2.5
198.06816	3.0
199.03940	6.5
199.07533	6.6
199.11145	3.4
200.08229	2.7
201.09119	91.9
203.07024	2.8
203.10641	10.4
204.07860	2.0
209.09639	2.7
211.07571	4.9
212.08305	5.6
213.05623	1.7
213.09160	12.3
214.06235	12.7
215.07082	2.0
215.10674	6.2
215.14339	4.4
217.04990	10.9
223.07556	5.7
225.09116	3.3
227.07076	3.0
227.10661	48.7
229.08615	18.2
229.12274	2.6
230.09471	1.9
231.10141	9.3
232.07310	24.7
233.15254	1.8
237.09100	1.7
240.07887	2.5
241.08617	1.8
243.10132	4.5
245.11743	6.6
255.10172	40.0
258.08856	1.9
261.11243	3.7
273.11227	100.0
285.81244	1.6
285.97208	1.4
287.09192	1.8
291.12305	7.8
299.09515	2.3
317.10242	1.8
341.14047	1.6
359.11322	3.9
377.12244	5.9
377.20340	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	376.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
57.03436	1.3
60.04509	0.9
61.02926	3.1
61.61424	0.6
62.90495	0.6
69.03432	5.6
69.36204	4.5
71.04984	0.8
73.02897	0.6
81.03411	2.0
85.02909	21.8
87.50063	0.6
91.03954	1.2
97.02900	6.4
99.04449	1.8
108.41280	0.6
109.02885	2.5
116.10695	0.8
127.03931	3.8
128.80742	0.6
131.29774	0.6
137.05986	100.0
138.06229	1.0
145.04988	7.0
149.79956	0.7
151.07571	1.6
171.37227	0.6
178.41634	0.7
179.07047	44.4
180.08687	3.5
181.14682	0.7
197.08109	8.2
214.10919	0.7
225.40987	0.8
230.17528	2.2
358.22333	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66558	1.8
67.05499	2.1
69.03424	3.2
69.73046	3.5
69.73458	6.6
70.03629	1.4
71.05000	2.8
81.03400	2.1
81.07056	5.3
83.04966	3.0
85.02905	5.2
93.07048	5.0
95.08627	2.6
96.80183	1.7
97.02879	3.1
97.06582	2.3
101.78249	1.8
105.07040	3.3
107.08590	17.9
109.06531	1.8
109.10160	58.3
109.10915	2.9
113.06004	4.6
119.08567	3.4
120.08077	2.5
120.61439	1.8
123.11698	15.9
131.04875	1.6
133.10147	11.5
135.11674	3.3
137.06012	5.2
137.09596	5.8
138.06331	4.2
148.03999	2.6
151.11188	69.4
161.09592	3.8
163.07564	2.0
167.06990	2.4
179.10678	100.0
197.11739	35.7
289.04749	2.0
331.32050	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.6
55.01867	8.5
55.05506	2.2
56.96561	3.9
57.03429	6.3
60.04512	3.2
61.02920	7.7
68.49360	1.9
68.99789	3.2
69.03433	32.9
70.06593	6.1
71.04992	5.9
71.55431	2.7
72.08162	19.6
73.02917	5.3
79.05468	2.0
81.03420	24.9
84.04521	5.7
84.08160	2.3
85.02910	100.0
85.03421	5.1
86.09698	3.1
87.00838	33.4
89.03955	1.7
90.58189	1.6
91.03963	3.4
91.05460	3.1
97.02898	41.3
98.97581	5.9
99.04457	15.0
102.05550	5.2
105.01860	33.5
105.03417	2.3
107.08608	3.6
108.04481	7.0
108.08922	2.3
109.02887	25.7
109.06503	2.1
115.03941	2.0
117.01841	3.8
126.05504	4.1
127.03929	70.4
129.01868	3.1
135.04445	1.9
137.05995	29.5
140.04639	2.2
143.07016	2.6
145.03004	1.8
145.04959	50.1
147.03059	2.5
147.04414	15.0
148.06082	5.9
150.09102	2.7
151.03807	2.5
151.07533	4.4
153.05376	2.0
159.02887	19.7
167.07059	4.9
177.00777	2.6
177.03897	2.5
177.05423	4.2
178.08638	2.8
179.06999	19.3
181.04927	2.2
183.11354	4.1
189.03947	4.0
192.36986	1.9
196.09698	2.2
197.08205	3.8
201.05498	2.4
201.12363	3.6
213.04079	3.3
214.10698	3.2
219.06586	2.5
231.04959	13.7
248.07735	3.6
249.06183	2.3
314.98849	2.0
371.13867	2.1
376.12714	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	375.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.5
55.05501	7.8
57.07069	4.7
59.04981	2.1
67.05509	14.5
69.03421	4.9
69.07057	8.8
70.06597	5.1
71.05000	3.1
79.05486	9.3
81.03411	10.7
81.07053	15.6
83.04984	5.2
83.08612	5.4
84.08157	2.6
88.07635	5.3
89.20865	2.4
91.05484	12.1
93.07053	19.2
95.04966	9.4
95.08606	28.3
102.09196	3.2
105.07018	17.3
107.04968	5.1
107.08589	26.0
108.55809	2.1
109.06508	5.4
109.10166	25.4
111.08093	10.2
115.05439	2.7
117.07015	5.2
119.08597	17.7
121.06491	4.9
121.10175	16.8
123.08067	5.1
123.11690	3.5
128.06294	2.3
129.06969	3.2
131.04837	2.0
131.08578	9.4
133.06479	2.8
133.10164	16.0
135.08073	6.9
135.11703	11.9
137.09650	9.1
141.06918	2.1
142.07739	2.5
143.08597	10.8
145.10126	16.9
147.08089	4.3
147.11702	6.7
149.09615	3.5
149.13353	5.2
151.11165	13.9
155.08560	4.7
157.10123	11.0
159.08083	8.2
159.11655	15.3
161.09595	6.3
161.13252	5.3
163.11180	4.6
163.14896	3.3
163.66461	2.3
165.06985	3.0
165.12704	3.8
169.10083	14.6
171.11681	13.5
173.09732	4.8
173.13290	9.6
175.11232	6.7
177.12753	4.7
177.16330	2.5
179.08650	3.3
181.10109	4.6
183.08170	2.7
183.11769	10.7
185.13330	5.8
187.11218	5.2
187.14792	10.3
189.16399	9.4
191.14278	7.4
193.04950	6.0
193.10130	2.2
193.15871	3.0
195.11734	9.9
197.09596	4.6
197.13208	11.8
199.11223	7.6
199.14941	2.4
201.12709	3.9
201.16356	6.6
205.10201	4.3
205.15919	9.5
206.11034	2.4
206.16614	4.5
207.11778	5.0
207.17459	4.3
208.12454	3.0
209.13243	9.2
211.11180	4.2
211.14832	5.6
213.12767	5.2
213.16431	4.3
215.14413	5.7
219.11516	2.5
220.12567	4.3
221.13339	6.2
223.14919	4.6
231.17473	2.4
233.13261	5.3
235.14777	3.7
237.16292	3.3
247.11214	3.1
247.14697	2.7
249.12753	2.2
249.16289	3.7
251.17892	2.2
253.15862	4.0
261.16458	2.3
263.17984	4.2
277.15982	3.4
279.17606	2.2
281.19043	7.2
291.13809	5.3
291.17365	2.5
297.25970	2.7
299.17853	2.4
313.32935	13.0
313.64929	2.1
315.17310	2.3
315.26819	3.2
317.18951	9.9
321.25925	2.6
327.17477	4.6
331.20602	6.0
333.18481	4.9
333.22211	2.8
339.26971	21.2
344.28571	3.3
347.23920	12.1
357.22281	11.9
357.27884	81.3
375.23215	100.0
375.30725	13.2
375.36536	35.7
396.62585	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	375.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30057	2.5
53.03944	8.2
55.05510	11.8
55.46657	2.4
57.07073	6.1
65.03939	5.9
67.05514	27.6
69.03420	4.8
69.07080	12.6
71.55196	5.0
79.05503	32.1
81.03455	2.8
81.07068	45.7
83.04953	3.2
83.08610	5.6
90.46194	2.8
91.05477	44.9
93.07048	75.6
95.04977	40.9
95.08611	31.8
96.86691	2.4
97.06516	8.4
101.34119	2.4
103.05458	4.2
105.07037	100.0
107.08603	48.2
109.06506	13.0
109.10156	21.6
115.05453	5.0
117.06999	17.8
117.79188	2.6
119.08588	73.4
121.06530	14.4
121.10152	65.9
121.52365	2.4
123.08067	7.0
123.11724	6.3
128.06242	7.5
129.07019	15.7
130.07803	6.7
131.08572	51.7
133.10136	34.7
135.11717	18.0
141.07001	5.6
142.07768	17.0
143.08568	25.8
144.09346	11.8
145.10136	62.5
147.11703	23.4
153.06973	2.8
155.08588	9.9
156.09346	4.1
157.10135	43.3
159.08089	3.7
159.11711	30.4
161.09662	12.0
161.13249	8.1
165.06914	3.8
167.08607	5.4
169.10168	19.7
171.11687	15.4
173.09679	3.5
173.13292	17.0
175.11229	6.5
175.14853	7.4
181.10167	9.0
183.11728	10.7
185.13289	7.3
187.11209	5.7
187.14859	13.3
193.10143	7.0
194.10907	4.6
195.11729	13.4
197.09825	2.8
197.13292	9.9
199.14886	4.9
201.12695	3.1
201.16490	2.6
207.11703	6.2
209.13324	12.2
211.14952	4.2
213.12746	3.3
213.16452	6.0
221.13184	3.4
223.14827	5.6
235.14778	4.1
253.19524	4.2
375.22739	4.5
375.26901	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2378
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03939	5.3
54.04136	1.3
55.01863	4.4
55.05516	17.2
57.03448	6.6
57.07069	4.3
59.04985	2.5
60.44289	1.3
61.02931	8.9
67.05508	8.0
69.03429	30.2
69.06734	1.7
69.07073	29.2
69.93566	5.3
71.04995	8.4
73.02898	4.9
79.05479	6.0
80.88269	1.4
81.03420	13.1
81.07059	29.5
83.04986	8.6
83.08612	7.4
84.04517	1.4
85.02905	65.4
85.06540	16.8
87.04443	8.0
91.03951	5.1
91.05493	2.9
93.07060	12.3
95.04971	1.7
95.08608	40.1
95.35735	1.3
97.02890	26.5
97.06516	4.8
97.10181	9.0
98.20743	1.4
99.04446	4.9
99.08089	20.4
105.07023	3.8
107.08590	22.7
108.04464	3.4
109.02877	12.1
109.04810	2.5
109.10149	11.6
111.08099	2.1
111.11771	6.2
112.56007	1.4
113.09641	8.3
115.09703	1.2
119.04921	1.4
119.08554	1.9
119.71005	1.1
121.10139	27.1
123.11725	10.1
125.09626	7.1
127.03922	15.6
131.04980	1.5
131.08553	1.6
133.10150	2.3
135.11717	15.9
137.05978	3.5
137.09648	1.7
137.13254	18.4
139.11183	8.8
145.04987	13.4
145.10085	2.2
149.13258	3.7
151.14816	3.8
153.12766	11.9
167.07080	3.0
177.16389	100.0
191.06853	1.3
195.17459	41.2
213.18503	53.2
227.08257	1.3
288.26532	1.3
375.12689	6.9
375.18793	2.7
375.23520	9.3
376.16202	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01883	1.8
55.05507	2.6
58.19656	0.7
61.06601	0.8
67.05512	5.7
69.03416	3.5
69.07061	3.1
69.80739	3.2
73.19675	0.7
79.05504	7.2
81.03413	9.7
81.07046	4.1
83.04974	2.8
83.08674	0.9
88.07623	0.7
91.05478	7.2
93.07038	8.4
95.04974	10.5
95.08604	8.9
97.06513	1.6
98.20767	1.1
102.09135	0.8
103.05457	1.1
105.07042	7.1
107.04958	5.5
107.08595	6.4
108.80016	0.8
109.06544	3.9
109.10143	1.6
111.08096	1.8
115.05434	1.4
117.07009	3.2
119.08579	7.2
121.06522	6.9
121.10141	1.3
123.08051	1.5
128.06230	1.8
129.06999	3.5
130.07843	1.1
131.08571	5.0
133.06500	2.0
133.10147	3.3
135.08081	3.7
135.11627	1.2
141.07024	2.2
142.07771	3.0
143.08569	6.0
145.06508	1.9
145.10127	8.9
147.08066	2.3
147.11714	1.5
149.09613	0.9
153.06981	1.2
154.07764	1.0
155.08568	7.8
156.09364	3.9
157.10139	10.7
159.08066	3.4
159.11638	4.0
161.09650	5.6
165.07027	3.5
166.07771	1.5
167.08595	3.1
168.09409	1.9
169.10135	14.2
170.10876	2.2
171.08049	0.8
171.11703	16.8
173.09631	4.8
173.13257	1.6
175.11208	2.4
178.07747	1.0
179.08574	4.8
180.09387	3.7
181.10141	8.2
182.10950	3.0
183.11705	10.0
185.09712	1.6
185.13275	5.1
187.11200	1.5
187.14833	2.5
191.08588	1.5
192.09343	3.0
193.10184	8.2
194.10872	3.9
195.11714	12.1
196.12474	2.4
197.09579	1.2
197.13275	9.3
199.11205	11.4
199.14854	1.3
201.12801	1.0
205.10170	2.3
206.10884	5.0
207.11711	8.4
208.12488	4.6
209.13266	12.3
210.13939	0.9
211.11206	1.5
211.14774	3.7
213.12726	3.6
215.14375	5.0
216.09491	0.9
217.10133	2.0
218.10867	1.1
219.11700	4.7
220.12497	4.6
221.13243	10.3
222.14040	1.6
223.11357	1.9
223.14830	13.6
225.12688	1.4
225.16466	2.1
229.15996	1.0
230.10818	1.3
231.11710	1.7
232.12332	1.0
233.13234	6.2
234.14069	2.8
235.14833	8.7
236.15593	2.3
237.12691	1.8
237.16402	7.3
239.14302	2.7
241.15936	1.6
243.11850	1.2
245.13235	1.9
246.14153	1.0
247.11244	1.0
247.14827	4.0
248.15564	1.8
249.12723	1.2
249.16354	3.7
251.14304	1.2
251.17982	3.6
253.15924	5.1
253.19485	1.7
257.13474	1.1
259.14777	1.5
261.12671	1.8
261.16409	1.9
262.13519	2.1
263.14352	1.5
263.17972	8.3
265.15854	2.7
265.19315	0.8
267.17453	1.2
271.14993	1.1
273.16391	1.2
275.14297	2.2
275.17743	1.6
276.15210	0.9
277.15884	5.4
279.17410	2.2
281.18936	6.7
285.16290	0.9
287.14542	1.9
287.17834	1.6
289.15918	1.6
289.19324	1.2
291.17450	4.3
293.18927	2.2
301.15924	2.1
303.17508	2.1
305.15460	1.0
305.19031	1.8
307.20605	2.2
313.15805	1.6
313.32874	1.2
315.17456	4.1
317.19040	20.3
319.17236	1.0
319.20734	1.8
327.17325	1.2
329.18936	1.5
331.20596	12.5
333.18420	4.7
333.22229	2.7
342.19833	1.4
345.22098	5.7
347.19775	1.6
347.23752	8.8
357.22128	26.5
374.36301	1.0
375.23206	100.0
375.36508	3.1
376.23416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88865	0.8
53.03952	1.0
55.01878	1.3
55.05505	2.6
55.90669	1.0
66.16193	0.9
67.05505	6.6
69.03416	2.8
69.07052	2.9
69.94769	4.4
79.05500	6.6
81.03421	10.4
81.07063	4.8
81.33768	0.8
83.04979	2.3
88.07608	1.7
91.05485	8.9
93.07060	8.6
93.98280	0.8
95.04967	11.0
95.08623	8.5
95.20133	0.9
97.06511	1.4
98.21479	1.8
102.09151	1.2
103.05485	2.1
105.07034	8.2
107.04948	4.9
107.08622	7.4
109.06512	4.7
109.10143	1.8
111.08085	1.1
115.05444	1.3
117.06996	3.3
119.08615	6.1
120.77546	1.1
121.06474	4.4
121.10120	1.7
123.08056	1.8
124.18875	0.9
128.06219	2.1
129.06982	3.5
130.07802	1.5
131.04921	2.9
131.08568	5.1
133.06528	2.2
133.10127	5.4
135.08075	2.7
141.06981	1.6
142.07796	2.7
143.08562	8.2
145.10135	10.7
147.08047	3.5
147.11646	1.5
153.06963	1.5
155.08546	7.7
156.09349	4.8
157.10146	11.3
159.08046	3.6
159.11732	2.9
161.09654	6.9
165.06987	2.5
166.07776	1.7
166.81253	0.9
167.08566	2.6
168.09357	1.6
169.10150	12.0
170.10887	2.1
171.08107	1.4
171.11702	13.5
173.09644	6.7
173.13383	2.0
175.11243	2.7
179.08562	4.2
180.09315	2.1
181.10158	7.8
182.10936	3.0
183.11690	13.0
185.13298	5.3
187.11240	1.9
187.14809	2.4
189.12747	1.2
192.09280	2.6
193.10117	5.7
194.10960	4.9
195.11687	14.0
196.12447	1.9
197.09552	2.3
197.13269	11.2
199.11172	11.9
199.14806	2.3
205.10165	2.3
206.10916	4.2
207.11723	10.0
208.12474	3.3
209.13264	11.0
211.11214	1.8
211.14844	5.2
212.46597	0.8
213.12737	5.3
215.14337	3.6
217.10188	1.0
218.10899	2.0
219.11665	4.9
220.12456	3.2
221.13316	8.8
221.62480	1.0
222.13962	1.3
223.14836	12.0
224.15465	1.1
225.12764	2.3
225.16345	1.9
227.14282	1.4
229.10104	1.1
231.11653	1.7
232.12543	1.4
233.13321	4.5
234.14053	3.5
235.14879	8.3
236.15431	1.1
237.12686	1.8
237.16429	6.0
239.14375	2.5
239.17908	1.3
241.15938	1.3
245.13295	1.3
246.13925	1.1
247.14896	2.2
247.51563	1.1
248.15709	1.2
249.12732	1.3
249.16422	4.4
250.17221	1.2
251.14354	2.0
251.17961	3.0
253.15964	5.3
253.19495	1.4
257.13153	1.9
259.14807	2.3
260.36063	1.3
261.12729	1.8
261.16431	2.1
262.13614	2.6
263.14191	1.9
263.17966	8.1
265.15985	1.9
267.17587	1.6
273.12958	1.3
273.16132	1.6
275.14368	1.4
275.89148	1.2
276.15002	1.7
277.15915	5.7
277.19003	1.3
281.18973	4.6
287.14120	1.3
287.17764	1.1
289.15912	1.2
289.19589	1.8
291.17480	3.4
296.49750	1.1
299.14264	1.2
301.16003	1.2
302.16718	1.5
303.17657	1.3
303.21045	1.0
305.18979	2.4
307.20618	3.0
313.32813	2.9
315.17413	3.8
317.18994	18.3
319.16946	1.2
319.20715	1.4
329.18991	2.2
329.22678	1.7
331.20609	10.9
331.65152	1.0
333.18442	3.8
333.22119	3.5
345.22241	6.5
347.19925	1.9
347.23724	8.5
357.22141	24.9
357.26355	1.9
375.23154	100.0
375.36380	7.8
376.23093	1.4
386.20081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34093	0.6
53.03944	1.2
55.01859	2.1
55.05508	1.5
57.07081	0.8
67.05508	3.4
69.03424	2.1
69.05444	0.6
69.07056	2.9
69.29929	5.8
79.05495	5.1
81.03424	6.8
81.07064	3.3
83.04996	0.9
83.08636	1.1
91.05476	5.2
93.07049	5.0
95.04971	8.9
95.05560	1.0
95.08621	5.9
97.06542	1.5
98.21458	1.0
103.05505	0.8
105.07042	4.9
107.04967	3.6
107.08591	4.7
109.06526	3.1
109.10161	2.3
109.69892	0.6
115.05418	0.8
117.07020	2.0
119.08582	5.4
121.06491	3.5
121.10150	2.2
123.08083	0.8
126.70279	0.6
128.06206	1.5
129.07019	2.2
130.07753	0.8
131.04980	1.4
131.08566	4.0
133.06488	1.6
133.10124	5.8
135.08054	1.2
141.07010	1.9
142.07797	2.0
143.08556	4.7
145.06464	1.7
145.10120	7.3
147.08046	2.8
147.11754	0.9
153.07008	1.0
154.07764	0.8
155.08563	5.4
156.09320	3.1
157.10141	8.7
159.08063	3.0
159.11691	3.5
161.09613	4.9
165.06992	2.0
166.07739	1.5
167.08557	2.6
168.09399	2.1
169.10120	9.4
170.10925	2.0
171.08014	1.8
171.11699	10.0
173.09674	5.3
173.13243	2.2
175.11243	1.9
179.08534	4.2
180.09357	1.4
181.10127	5.2
182.10910	1.5
183.08064	1.1
183.11684	8.9
185.09656	2.0
185.13237	4.7
187.11224	1.0
187.14850	2.7
192.09409	1.4
193.10155	5.3
194.10936	2.9
195.11699	9.0
196.12465	1.6
197.09637	1.0
197.13258	7.2
199.11201	7.4
199.14778	0.7
201.12801	1.3
201.16472	1.2
205.10170	1.6
206.10947	2.8
207.11696	5.5
207.89702	0.7
208.12471	2.8
209.09714	1.2
209.13277	9.1
210.14005	0.8
211.11134	1.7
211.14886	2.7
213.12787	3.4
215.14273	2.9
217.10176	1.2
219.11615	3.4
220.12541	2.9
221.09621	1.1
221.13278	6.4
222.14120	1.0
223.11209	1.5
223.14838	7.4
224.15565	0.8
225.12750	2.4
225.16406	2.2
229.10207	0.9
230.11018	0.9
231.11678	1.1
232.12402	1.2
233.13263	3.9
234.14117	2.3
235.11099	1.3
235.14807	5.0
236.15565	0.9
237.12825	1.7
237.16368	4.7
239.10649	0.8
239.14378	1.6
239.17935	1.1
243.11551	0.8
244.12616	0.9
245.13264	1.7
246.14014	0.8
247.11061	1.0
247.14850	2.3
248.15579	1.8
249.12872	1.1
249.16374	2.6
251.14365	1.5
251.18033	2.0
253.15863	3.6
253.19521	1.9
255.11726	0.9
259.11316	1.0
259.14792	1.3
260.15747	1.0
261.12811	1.5
261.16431	2.2
262.13458	1.3
263.14584	1.5
263.17953	5.0
265.15875	1.3
265.19611	1.0
267.17599	1.3
270.14108	0.9
271.11481	0.8
271.14670	1.4
273.12665	0.9
273.16324	0.8
275.14474	1.2
275.17899	1.3
276.15085	0.8
277.15921	3.6
277.19220	1.2
279.17480	1.4
279.21136	1.1
281.18945	5.7
285.12985	0.7
285.16266	1.0
286.13556	1.1
286.16998	0.7
287.14267	1.2
287.17856	0.7
289.15930	2.0
289.19421	1.1
291.17410	2.0
299.14514	1.1
299.17960	1.2
300.15207	1.1
301.15891	2.0
301.19312	0.7
303.17313	1.5
305.15506	1.4
305.19052	2.1
307.20532	2.8
313.15997	0.8
313.19440	0.9
315.17520	2.9
317.19052	13.7
317.22659	0.8
319.20541	1.3
327.17499	1.5
328.18362	0.9
329.19028	2.2
329.22678	0.9
331.20544	10.2
332.21207	1.2
333.18475	4.2
333.22153	2.6
342.19797	1.7
345.22171	5.6
347.19940	0.8
347.23682	8.5
357.22110	23.0
360.20862	0.9
375.23199	100.0
376.23755	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01870	1.6
55.05513	2.0
57.03435	0.5
57.07086	1.0
67.05513	5.5
69.03454	2.5
69.07063	2.2
69.80790	2.1
70.06609	0.7
79.05503	5.8
81.03422	10.4
81.07056	3.4
83.04993	1.4
83.08617	0.6
88.07635	0.7
91.05495	6.5
93.07060	7.8
95.04450	0.8
95.04987	9.4
95.08615	8.9
97.06543	1.8
99.04481	0.6
103.05499	0.8
103.84402	0.5
105.03422	0.5
105.07041	7.0
107.04968	3.9
107.08613	5.1
109.06555	3.5
109.10130	1.6
111.08108	0.9
115.05492	1.4
117.07033	3.7
119.08610	5.9
121.06516	5.4
121.10159	1.1
123.08076	1.7
128.06247	2.1
129.07045	3.1
130.07780	0.9
131.04938	1.7
131.08565	3.9
133.06505	1.4
133.10129	4.8
135.08040	2.7
141.06984	2.0
142.07765	3.3
143.08574	7.9
144.09348	0.6
145.06526	1.2
145.10139	11.6
147.08035	2.6
147.11705	1.4
149.09647	1.2
153.07039	1.1
154.07710	0.6
155.08563	7.2
156.09398	4.3
157.10144	11.6
157.11320	1.0
158.10939	0.6
159.08057	3.7
159.11690	3.6
161.09639	6.2
161.13249	0.7
163.11198	0.8
165.07028	2.9
166.07802	0.9
167.08585	3.6
168.09361	1.6
169.10150	15.6
170.10854	2.5
171.08034	1.7
171.11702	19.0
173.09645	4.8
173.13304	2.4
175.11182	3.1
178.07816	1.4
179.08612	4.2
180.09360	2.3
181.10133	7.5
182.10979	2.5
183.08078	0.7
183.11702	12.0
183.13216	1.0
184.08870	0.6
185.09685	1.2
185.13228	5.6
185.78204	0.5
187.11171	1.0
187.14850	2.2
189.12733	0.8
191.08511	0.8
192.09377	2.8
193.10144	6.5
194.10899	4.2
195.11707	12.3
196.12497	2.2
197.09669	1.2
197.13274	10.1
197.41505	0.5
199.11192	13.8
199.14890	1.5
201.12782	0.8
203.08586	0.6
205.10172	2.7
206.10913	4.5
207.11720	7.2
208.12456	4.8
209.09921	1.1
209.13287	10.8
210.14125	1.2
211.11217	1.9
211.14824	4.6
213.12756	6.3
213.16316	0.5
215.14316	3.8
217.10219	1.2
218.10971	1.6
219.11684	3.8
220.12468	3.1
221.13263	7.9
222.14099	1.5
223.11186	1.2
223.14812	11.4
224.15570	0.8
225.12770	1.6
225.16393	1.8
229.10213	0.7
230.10938	0.8
231.11722	2.1
232.12573	1.4
233.09792	0.9
233.13257	5.4
234.14009	2.7
235.11272	1.0
235.14804	7.0
236.15582	1.0
237.12770	1.5
237.16396	6.4
238.13684	0.6
239.14268	2.0
239.17963	1.5
241.15945	0.9
243.11842	1.2
244.12556	0.8
245.13324	2.0
246.14096	1.1
247.11157	1.3
247.14911	2.9
248.12009	0.6
248.15608	2.6
249.12755	1.5
249.16449	4.3
250.17117	0.6
251.14352	1.4
251.17921	3.3
252.14967	0.6
253.15883	5.0
253.19542	1.8
256.12473	0.8
257.13306	0.9
259.14798	1.4
260.15607	1.2
261.12686	1.3
261.16434	1.6
262.13547	1.9
263.14368	1.9
263.17963	7.2
265.15787	1.9
266.16754	0.6
267.17526	1.4
269.13220	0.6
271.11111	0.8
271.14691	0.9
272.11917	0.5
272.15353	0.6
273.12720	0.9
273.16306	0.9
275.14444	1.7
275.17972	1.4
276.15152	0.8
277.15927	4.2
278.16696	0.6
279.17459	1.2
279.21027	0.6
281.18948	6.5
285.12970	0.8
285.16357	0.7
286.13531	0.7
287.14432	1.8
287.17957	0.9
289.15918	1.5
289.19501	1.3
291.14319	0.7
291.17419	2.8
293.19083	1.5
299.14459	0.8
299.17899	0.9
300.15109	1.2
301.15891	2.2
302.16605	0.7
303.14218	0.6
303.17499	2.0
305.15594	1.1
305.19022	2.1
307.20602	3.5
312.32660	0.6
313.15933	1.1
313.19421	0.6
313.33163	1.4
315.17520	2.7
315.26807	0.5
317.19043	19.7
319.17139	0.9
319.20618	1.9
327.17401	1.8
329.19006	1.7
329.22638	0.9
331.20554	9.5
332.21329	1.0
333.18460	4.7
333.22186	4.1
342.19843	1.6
344.21292	0.7
345.18356	1.1
345.22052	5.6
347.19852	0.5
347.23779	9.0
357.22147	24.1
360.20596	0.7
374.36447	0.5
375.23212	100.0
375.36414	5.1
376.23566	1.9
389.22211	0.6
395.21951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1651
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
50.54736	2.2
50.85598	1.6
53.03963	2.3
55.01876	2.5
55.05514	2.9
57.03448	2.1
69.03409	4.6
69.07068	6.7
71.04993	2.0
71.06087	3.5
72.08153	3.2
73.02898	3.4
79.05486	4.3
81.03410	5.8
81.07068	3.6
83.04966	2.1
84.04472	1.7
84.08136	1.8
85.02895	8.2
86.09699	3.4
91.05453	4.6
93.07037	8.5
97.02934	2.1
97.06520	2.7
103.05521	2.1
105.07047	2.5
107.04975	3.5
107.08598	4.6
109.02879	3.3
109.06515	2.3
111.08096	3.1
115.07623	2.8
119.08532	2.8
121.06488	2.0
121.10146	11.0
127.03912	3.7
127.07555	2.9
131.08557	3.0
133.10060	2.0
135.08157	1.9
137.05949	12.6
149.05980	3.0
149.09633	100.0
153.05455	3.3
161.06010	2.9
163.70377	1.9
167.07059	6.2
177.05499	2.9
177.09087	5.1
181.04976	2.1
182.08386	5.3
195.10176	23.5
211.08646	6.1
213.06615	2.2
213.11269	17.3
213.14784	2.8
253.09616	3.1
261.15213	2.4
299.09229	2.5
324.24127	1.9
340.88406	2.1
375.12021	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	375.1649
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
51.70865	1.1
52.72699	1.1
53.03943	1.4
55.02802	1.2
61.02910	1.0
67.05495	2.3
69.03436	5.1
69.36689	6.9
69.37111	3.1
72.08158	1.4
72.27143	1.3
72.93790	1.1
79.05491	9.7
81.03405	2.4
81.07072	1.3
85.02916	8.3
86.03146	1.0
91.05452	6.7
91.69138	1.1
93.07036	8.5
95.04997	3.1
97.02882	2.4
105.07037	7.5
107.04954	13.5
107.08594	42.8
109.02876	2.4
109.06548	3.7
117.07040	1.6
119.08589	2.8
121.10151	23.7
123.08070	13.8
127.03915	21.6
131.08569	6.3
135.08047	8.7
137.05997	5.3
145.02805	1.4
145.04941	1.9
146.03159	2.1
149.09627	100.0
153.09175	1.2
158.97429	2.8
159.08105	2.3
159.67067	1.1
167.10687	1.5
177.05614	1.5
177.09114	33.6
178.05804	5.4
185.07091	1.4
195.10176	81.0
196.06888	1.6
213.11241	6.1
234.99005	3.0
289.09256	2.6
313.12692	1.9
357.06366	4.4
375.07449	5.9
375.12549	32.3
375.16718	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1054
Annotation	Casticin
Peak:m/z	Relative Intensity
55.70710	1.0
71.53371	1.1
111.58847	1.1
237.33539	1.1
252.35922	1.3
288.49744	1.1
375.10553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54191	1.3
53.03937	5.4
55.01871	1.9
55.05511	2.4
57.03431	2.4
57.07074	3.8
57.44485	1.1
59.04991	5.8
61.02924	2.7
65.03925	2.1
67.05501	3.0
69.03434	20.4
69.07062	2.1
69.59259	7.1
71.04984	3.1
73.02917	4.8
79.05499	25.5
81.03428	16.2
81.07063	75.4
84.04514	1.9
85.02913	50.5
85.06551	34.0
86.09715	1.7
87.04450	3.0
91.05521	2.8
93.07043	5.9
95.04973	2.9
95.08605	2.2
95.41177	1.2
97.02891	12.1
99.04462	9.0
101.06074	1.5
103.03939	5.7
103.05441	2.0
105.07030	7.1
107.04976	3.5
107.08610	2.7
109.02895	10.7
109.06523	100.0
109.10129	2.0
113.45921	1.2
115.05440	1.6
117.07016	3.1
119.08567	4.6
121.06503	3.4
121.10058	2.0
123.08055	1.4
127.03927	18.7
127.07567	83.1
129.07004	1.8
131.04897	2.7
131.08508	1.9
133.06462	2.8
135.08041	2.9
137.05984	9.3
143.08549	2.0
145.04971	9.6
145.06458	4.5
147.08003	4.0
149.06018	2.6
151.07530	2.1
151.11142	1.2
157.06534	1.4
161.05980	1.6
161.09619	1.7
163.07533	5.0
165.09198	1.9
167.07077	11.8
175.07584	4.6
177.09091	1.8
187.07536	1.4
193.08673	1.7
205.08434	1.3
213.06563	2.2
217.08478	1.5
221.41768	1.6
231.46381	1.4
235.09608	3.5
253.10756	8.9
255.07135	1.4
271.11792	18.9
283.13184	1.3
291.14969	1.4
301.14487	1.8
315.09857	2.4
375.18353	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
53.98577	0.2
55.01866	0.8
55.05499	0.3
57.03436	0.6
61.02913	0.4
67.05507	0.3
69.03432	3.0
69.07070	0.5
70.06590	0.5
70.13397	1.0
71.04995	0.6
72.08157	1.5
73.02914	0.9
79.05501	0.3
81.03419	3.0
81.07092	0.3
84.04489	0.4
84.08142	0.4
85.02908	5.9
86.09716	3.0
87.00836	1.9
87.10019	0.4
89.03899	0.4
90.80448	0.2
91.03958	0.3
91.05482	0.4
93.07073	0.5
95.04970	0.5
95.08627	0.3
97.02889	2.3
97.06490	0.5
98.97585	0.5
99.04477	1.1
102.05576	0.3
105.01855	0.7
105.07043	0.6
107.04984	0.4
107.08598	1.1
109.02880	3.2
109.06495	0.3
109.10166	0.3
117.01856	0.2
117.03380	0.4
118.03683	0.3
119.08595	0.6
121.10114	0.4
126.28745	0.2
127.03923	100.0
128.04259	0.2
129.01836	0.4
129.10219	0.4
130.04997	0.4
131.08562	0.4
135.08087	0.3
137.05988	1.2
143.11786	0.6
145.02852	1.2
145.04951	1.1
146.03185	1.3
147.02919	0.3
147.04433	0.3
149.05989	0.3
149.09621	1.7
150.06310	0.3
159.02905	1.6
163.03897	0.3
171.11278	0.3
177.05481	2.6
177.09155	0.7
178.05820	3.4
185.07124	1.4
195.06609	1.3
195.08322	0.2
195.10262	1.0
196.06915	1.8
200.13939	0.3
213.06631	1.3
213.11264	0.8
231.05006	0.5
289.08951	1.6
297.12003	0.2
315.09830	0.2
342.54794	0.2
343.16101	0.7
347.12323	0.3
375.12344	4.8
375.16788	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
53.98577	0.2
55.01866	0.8
55.05499	0.3
57.03436	0.6
61.02913	0.4
67.05507	0.3
69.03432	3.0
69.07070	0.5
70.06590	0.5
70.13397	1.0
71.04995	0.6
72.08157	1.5
73.02914	0.9
79.05501	0.3
81.03419	3.0
81.07092	0.3
84.04489	0.4
84.08142	0.4
85.02908	5.9
86.09716	3.0
87.00836	1.9
87.10019	0.4
89.03899	0.4
90.80448	0.2
91.03958	0.3
91.05482	0.4
93.07073	0.5
95.04970	0.5
95.08627	0.3
97.02889	2.3
97.06490	0.5
98.97585	0.5
99.04477	1.1
102.05576	0.3
105.01855	0.7
105.07043	0.6
107.04984	0.4
107.08598	1.1
109.02880	3.2
109.06495	0.3
109.10166	0.3
117.01856	0.2
117.03380	0.4
118.03683	0.3
119.08595	0.6
121.10114	0.4
126.28745	0.2
127.03923	100.0
128.04259	0.2
129.01836	0.4
129.10219	0.4
130.04997	0.4
131.08562	0.4
135.08087	0.3
137.05988	1.2
143.11786	0.6
145.02852	1.2
145.04951	1.1
146.03185	1.3
147.02919	0.3
147.04433	0.3
149.05989	0.3
149.09621	1.7
150.06310	0.3
159.02905	1.6
163.03897	0.3
171.11278	0.3
177.05481	2.6
177.09155	0.7
178.05820	3.4
185.07124	1.4
195.06609	1.3
195.08322	0.2
195.10262	1.0
196.06915	1.8
200.13939	0.3
213.06631	1.3
213.11264	0.8
231.05006	0.5
289.08951	1.6
297.12003	0.2
315.09830	0.2
342.54794	0.2
343.16101	0.7
347.12323	0.3
375.12344	4.8
375.16788	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59431	0.9
57.03422	1.1
61.02924	2.1
69.03426	3.4
70.45205	2.4
71.73467	1.0
81.03408	2.3
83.73275	0.9
85.02906	13.5
89.03928	3.7
97.02895	5.9
107.40414	1.0
109.02891	1.4
117.03378	14.0
127.03934	2.9
145.02852	41.9
145.04955	4.2
149.06017	7.3
163.03856	2.8
177.05476	100.0
180.08678	1.8
192.27731	1.1
195.06538	60.7
202.05682	1.1
246.89441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59211	0.9
53.03947	2.3
55.01867	4.1
55.05516	1.3
57.03423	2.7
58.17548	0.9
59.04972	1.0
61.02916	2.8
65.03939	2.0
67.05502	1.4
69.03431	14.3
69.07064	1.4
70.06591	2.0
70.92587	1.7
71.01353	1.4
71.04971	1.1
71.64088	1.0
73.02919	3.6
79.05484	1.2
81.03421	12.0
81.07067	2.5
83.58321	0.9
84.04494	5.8
84.08141	2.8
85.02908	49.4
86.06055	1.2
86.09707	25.4
87.00837	19.4
87.04465	1.7
91.05486	100.0
92.05801	0.9
93.07034	1.1
95.04970	1.6
95.08598	1.0
97.02896	17.2
97.24545	1.0
98.97607	1.1
99.04440	7.0
100.07636	1.5
102.05548	2.6
103.03904	0.9
105.01877	29.9
105.02576	1.9
105.07036	3.2
105.50713	0.9
107.04952	1.3
107.08590	2.0
108.04471	2.4
109.02886	12.9
109.06543	1.1
115.03934	1.5
116.07114	1.8
117.01875	1.4
117.07024	1.3
119.08564	2.2
121.06507	0.9
121.10194	2.0
126.05535	1.3
127.03925	35.6
128.07103	1.6
129.01871	2.1
129.06755	1.6
130.06523	1.3
131.08591	2.1
132.10204	7.4
133.06496	1.5
137.05992	3.2
138.05508	1.2
145.04968	16.4
145.06267	1.7
147.02859	1.0
147.08029	1.5
149.05978	1.2
149.09668	1.2
150.56685	0.9
151.04044	1.4
151.07607	1.1
157.07658	1.4
158.07953	2.3
159.02898	6.7
167.06985	1.4
175.07567	2.2
177.09125	4.4
179.38651	1.0
189.03958	2.8
189.60249	1.1
194.11713	2.5
195.06555	1.4
195.10207	2.0
196.68219	1.2
197.12860	4.6
199.07574	2.4
202.05780	1.2
212.12866	1.8
213.04071	1.9
215.13899	6.9
217.08595	1.8
225.12325	1.7
230.06628	1.2
231.05020	8.8
243.13412	3.6
248.07655	1.4
249.06039	3.3
261.64886	1.0
266.08838	1.3
307.08102	1.0
321.09506	1.1
339.12399	0.9
344.12463	1.1
356.20529	1.2
374.14023	2.2
374.18246	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1444
Annotation	Prochlorperazine
Peak:m/z	Relative Intensity
53.03941	7.3
55.01880	12.2
57.03430	8.0
58.01558	1.9
61.02933	7.3
68.99820	3.0
69.03434	29.9
69.83196	9.9
70.06584	2.4
71.04998	5.8
73.02917	10.9
74.62398	2.2
75.21898	2.1
78.24184	2.1
79.05508	2.8
81.03426	34.2
81.03875	4.2
81.07079	3.8
81.15421	2.0
83.04977	2.2
85.02909	100.0
86.09710	3.0
87.00840	36.6
87.04449	2.6
90.12582	2.1
91.03975	2.0
91.05500	5.0
97.02903	43.7
98.06071	3.2
99.04470	16.2
105.01874	32.7
105.07048	3.3
108.04501	8.0
109.02875	30.8
109.06510	2.5
115.03947	2.4
119.08599	2.4
121.10159	3.2
126.05532	3.4
127.02954	4.0
127.03923	82.2
128.24060	1.9
129.01837	4.3
133.02928	2.3
137.05962	7.0
138.06302	4.4
145.04979	53.1
147.02869	3.3
159.02895	26.5
159.04076	3.1
168.07416	2.3
174.06326	2.7
175.07603	3.5
182.05354	2.7
189.02460	2.7
189.04028	6.3
201.05466	10.8
202.05804	21.7
206.07034	2.8
213.04008	3.4
217.08656	3.7
220.07043	2.7
231.04976	22.6
231.17494	3.0
234.06404	2.9
248.07727	7.1
249.05867	2.9
251.06749	2.6
266.08975	5.0
294.08398	2.7
308.09906	3.7
313.85486	2.5
324.09503	3.2
326.11075	10.8
330.24219	6.9
338.11197	4.1
356.12088	8.7
374.14069	9.5
374.22128	3.8
374.26862	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	373.222
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
52.70194	1.9
55.05500	9.4
59.05008	2.6
59.67937	2.1
67.05508	16.0
69.03420	7.4
69.07072	13.5
71.04986	2.7
71.35085	2.7
79.05512	4.4
81.07064	17.6
83.04978	9.9
83.08634	4.0
85.02900	6.2
85.06534	3.4
91.05460	5.0
93.07041	6.2
95.08616	26.6
99.08109	2.4
105.07010	6.6
107.08578	18.1
109.06499	9.7
109.10159	90.1
111.08095	5.0
119.08577	29.7
121.10126	11.9
123.08076	14.4
123.11697	5.4
129.37976	2.3
133.10136	18.3
135.11697	83.0
137.09628	15.0
139.11139	2.0
144.61734	2.0
144.64098	2.1
147.11684	2.7
149.13255	5.5
151.11182	9.4
151.14816	11.8
153.12691	3.9
165.16359	2.7
175.14832	41.2
193.15884	44.5
211.16936	100.0
226.17133	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	373.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.7
54.04206	2.2
55.05505	8.5
57.03446	13.6
57.07059	5.0
65.16937	2.0
67.05183	4.4
67.05511	50.2
69.03436	35.5
69.07062	4.4
71.04987	7.8
71.08628	2.6
71.55477	2.6
76.28039	2.0
77.83626	2.0
79.05441	3.0
81.03423	37.0
81.07056	9.9
83.04984	17.0
83.08605	5.6
85.02905	12.1
85.06493	2.4
87.04451	4.7
91.05486	4.8
93.07049	4.8
95.04948	2.4
95.08608	7.3
97.02908	18.5
97.10175	4.0
99.04446	6.9
101.02405	3.1
102.77417	2.3
107.08604	2.5
109.02866	7.5
109.10165	50.1
111.04424	8.3
119.08551	6.3
120.59909	2.1
123.59632	2.1
125.09640	2.5
127.03909	18.8
129.05429	5.7
135.08110	2.4
137.09572	3.4
155.10635	8.6
173.04427	2.6
173.11742	32.7
189.11171	3.8
207.51242	2.3
209.11806	2.9
229.14429	5.9
299.14853	8.4
355.17599	3.4
355.31726	3.6
373.18564	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01866	2.6
55.05506	3.5
55.58791	1.5
57.03428	1.9
60.44229	1.4
62.21182	1.5
67.05489	5.0
67.48595	1.3
69.03429	4.5
69.07060	7.0
69.55191	3.7
69.55600	6.3
70.06596	2.0
70.44547	1.4
71.04981	1.5
71.07006	1.5
79.05494	3.8
81.03416	3.5
81.07050	5.7
83.04959	2.4
83.06104	5.0
84.04504	6.6
84.08161	2.2
85.02907	4.4
85.06532	3.2
86.09224	2.6
86.09707	34.5
91.05482	12.4
93.07040	5.8
95.04959	6.2
95.08592	4.3
97.02895	3.3
97.06519	1.9
99.04449	1.6
99.08087	4.0
105.07018	4.8
107.08599	5.0
109.02850	1.9
109.06498	3.0
109.10157	4.6
115.05470	5.0
117.07003	3.6
119.04925	5.4
119.08549	8.7
121.06485	2.1
121.10105	4.4
122.03651	2.1
123.08092	1.8
127.03893	2.6
129.06915	1.7
130.04158	2.3
131.08531	3.6
131.11807	2.8
132.10187	4.6
133.02907	2.1
133.10129	6.8
134.28107	1.6
135.04428	2.3
135.08051	3.5
135.11714	4.1
137.05988	26.2
137.09596	1.9
143.08594	3.7
145.06528	8.6
145.10167	4.9
147.04413	7.4
149.09631	3.6
150.06807	2.9
151.07564	2.2
155.08580	3.6
156.09386	3.8
157.10085	8.2
157.13351	3.4
158.03682	8.3
159.08101	5.5
159.11679	25.1
161.05954	2.7
161.09595	2.6
162.06760	2.9
167.07062	1.9
169.10123	3.5
170.10922	2.5
171.08049	9.3
171.11716	13.3
173.02634	1.6
173.05991	16.9
173.09599	8.4
173.13249	4.1
175.03914	4.3
175.07535	4.8
175.14896	2.7
177.06978	2.6
179.07010	3.7
180.07919	2.4
181.05098	2.9
183.11702	7.6
185.09685	2.3
185.13232	13.6
186.03156	6.2
187.11176	13.2
189.09161	1.9
189.12413	6.3
193.05035	1.8
193.15813	7.8
196.14406	2.0
197.12843	2.5
199.11177	2.1
200.12007	2.2
201.05466	100.0
201.12761	2.7
203.07031	4.1
205.06509	3.9
211.16898	3.8
213.12714	19.3
215.10799	2.0
217.08582	9.3
217.12288	3.7
219.06496	15.1
221.06056	2.2
222.06725	3.5
223.07570	1.7
229.12254	11.1
231.13763	7.6
233.05975	9.3
233.11702	4.3
234.06732	4.2
237.09102	5.8
241.12271	2.0
242.15009	4.6
247.13368	2.1
249.05432	2.5
250.06316	6.9
251.07130	2.3
259.13309	31.9
261.05444	2.6
265.08609	13.3
267.06427	2.3
277.05334	2.0
277.08621	4.2
277.14371	12.7
279.06479	2.5
283.09723	1.8
290.05634	1.6
292.07275	4.8
293.08017	13.1
295.15433	3.6
297.11206	4.5
305.08215	4.3
307.09586	13.4
310.08344	2.9
313.11371	4.1
323.09305	1.7
325.10712	37.7
337.10709	4.2
337.16544	6.8
343.11829	3.3
355.11893	11.3
355.23416	2.0
373.13644	9.1
373.18335	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	373.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96278	0.5
55.01870	0.8
55.05513	0.6
57.18063	0.5
65.03943	0.6
67.05507	1.3
69.03428	2.1
70.06593	1.6
71.54508	0.6
72.08164	3.6
73.02911	0.5
79.05480	0.7
81.03423	0.6
81.07053	1.1
84.04517	1.0
84.08149	6.7
85.02890	2.2
86.06075	0.5
86.09711	3.9
89.76151	0.6
91.05455	2.5
93.07004	0.8
95.04977	0.8
97.02893	0.8
97.06523	0.7
103.05467	0.7
105.07057	1.2
107.04973	0.8
107.08621	0.7
109.02880	0.7
110.07053	0.7
115.03938	0.8
115.05453	1.2
117.03368	1.3
119.04950	1.9
119.08555	0.6
121.06522	0.6
122.03574	0.7
125.05988	1.0
127.03920	1.0
129.10248	4.6
131.04967	0.9
131.08716	0.5
135.04410	0.7
137.05991	9.6
138.09344	0.5
140.08356	0.7
141.01962	0.5
143.04939	0.7
145.02824	2.9
145.06531	1.7
147.04401	2.1
149.05968	1.6
149.09549	0.5
150.06746	1.4
151.03911	1.2
151.07533	0.7
153.05594	0.7
158.03606	1.4
161.09354	0.7
173.06032	4.5
175.04007	0.7
175.07573	0.9
177.05501	6.1
177.06947	1.0
179.07027	0.7
181.04979	9.2
186.03217	1.3
189.05518	1.1
191.08669	0.7
193.12022	4.3
194.07220	0.6
195.06566	2.5
195.13568	1.7
201.03700	2.8
201.05458	25.0
203.05309	9.7
203.07133	0.9
205.06573	1.3
216.77216	0.6
219.06488	3.6
221.05888	0.7
222.06789	1.2
223.07555	0.6
233.06042	1.9
234.06740	1.5
235.07721	0.7
237.09190	1.8
247.07471	0.7
249.05466	0.7
250.06285	1.7
251.07062	0.7
253.08707	0.9
264.07819	0.7
265.08661	2.7
277.08536	1.0
278.05777	1.2
292.07285	1.6
293.08099	2.3
295.06265	0.7
295.09760	0.8
297.11340	1.2
305.08112	1.3
307.09619	3.3
310.08591	0.8
313.10742	0.9
323.09134	0.6
325.10718	9.8
327.12433	0.6
337.10730	1.0
343.11887	1.5
355.11530	3.6
355.15433	0.7
373.18359	100.0
373.28122	2.3
374.18823	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98930	0.9
62.21532	0.9
70.06567	1.1
71.04977	1.0
71.46841	1.6
73.83051	0.9
84.08157	1.0
85.02927	1.7
86.06065	1.0
86.09701	7.4
91.05489	6.5
95.04966	1.3
103.05468	2.3
105.07030	1.5
107.04921	2.5
109.06552	0.9
115.05432	4.6
117.07060	1.5
119.04920	6.4
121.06503	2.0
122.03665	2.8
124.05157	1.2
125.06029	1.1
127.03936	1.9
130.04149	2.1
131.04893	1.6
133.06445	1.2
133.10196	1.3
134.26189	0.9
135.04404	2.2
136.61444	1.0
137.05981	33.4
143.04909	2.3
145.02838	1.4
145.06499	6.8
147.04437	5.6
149.05977	1.4
150.06798	5.2
151.03931	1.3
151.07658	1.0
153.05429	1.2
155.05984	1.3
158.03622	7.6
160.05264	1.0
161.05983	2.6
162.06769	2.0
163.07538	1.4
173.06010	17.1
175.03964	5.3
175.07602	2.2
177.05556	2.1
177.06964	1.1
179.07054	2.0
180.07867	1.1
181.04950	3.2
186.03088	4.6
189.05428	2.1
189.07034	2.1
191.08528	1.2
193.06529	1.0
194.07292	1.7
201.05470	100.0
203.07001	1.1
205.06549	9.1
206.07170	1.3
207.06456	1.9
213.05545	1.2
216.24577	1.0
217.06471	1.4
219.06482	13.4
219.08203	1.1
221.05957	2.4
222.06741	4.6
223.07402	1.2
225.08984	1.0
231.06433	2.5
233.05965	7.1
234.06714	4.9
237.09103	5.6
247.07481	1.6
249.09164	1.5
250.06213	5.9
251.07071	2.5
253.08540	1.8
261.05447	1.9
262.06311	2.3
263.07193	1.2
264.07813	2.0
265.08612	11.7
266.09457	1.3
268.07123	1.1
277.08594	3.2
278.05759	2.8
279.06750	1.1
281.08160	1.1
282.08920	1.7
290.05890	2.0
292.07178	4.4
293.08054	9.2
294.08759	1.7
295.09802	1.2
297.11044	4.2
305.08105	5.0
307.06165	1.5
307.09628	13.2
309.11090	1.6
310.08411	1.9
313.10785	1.3
323.09122	1.3
325.06818	1.8
325.10718	36.6
337.10733	4.1
341.11584	0.9
343.11786	2.7
355.11774	11.5
373.13544	2.1
373.18390	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	373.1285
Annotation	Glycosmisic acid
Peak:m/z	Relative Intensity
53.23494	1.9
55.01863	4.0
55.05504	3.1
67.05505	4.0
69.03419	3.9
69.07064	4.5
69.29308	2.0
69.49144	15.5
73.02895	2.6
79.05516	5.1
79.27007	2.2
81.03418	4.3
81.07049	6.5
83.04970	2.0
83.08559	2.8
85.02905	4.4
86.09694	3.1
91.05466	11.4
93.07033	3.6
94.93897	2.1
95.04974	3.3
95.08605	3.4
97.06608	2.3
99.04446	2.2
103.05462	2.3
105.03436	3.0
105.07043	5.7
107.04971	4.5
107.08591	5.0
109.02878	2.6
109.10154	5.6
111.04484	2.6
115.05449	8.9
117.07005	3.9
119.04959	5.2
119.08598	3.3
121.06464	2.7
123.04414	3.6
123.08091	1.9
124.05206	2.7
127.03931	4.1
129.36327	2.1
130.04120	2.5
131.04893	5.7
133.02913	2.5
133.10173	2.3
135.04451	3.1
135.11659	4.2
137.05977	31.0
143.04961	2.8
145.02716	2.6
145.06479	8.5
145.10127	2.4
147.04424	6.6
147.08037	2.3
147.11641	2.4
149.05986	3.5
150.06778	3.3
151.03937	2.0
151.07512	3.0
153.05447	8.7
158.03664	8.9
159.04369	3.1
160.05232	4.0
161.05975	2.7
163.36382	2.2
165.05493	4.2
165.07019	2.7
167.07063	16.8
173.05991	19.0
175.03899	5.6
175.07666	10.4
175.08897	2.0
177.05557	3.7
177.06987	2.6
178.07756	4.2
179.07144	3.8
179.08612	2.0
180.07773	2.3
181.05051	9.8
181.06374	2.2
186.03165	11.9
187.03893	2.2
188.03423	9.9
189.05400	2.4
189.06993	5.7
189.08955	2.4
192.05637	4.0
201.05464	100.0
203.07072	6.5
205.06526	8.4
206.07184	2.7
207.08058	8.7
209.06017	2.1
211.13354	3.8
211.16948	2.5
219.06418	10.5
219.08281	2.9
220.05159	10.0
221.05920	5.7
222.06787	6.5
224.08327	3.3
225.06729	3.4
233.06038	8.6
234.06763	9.1
235.07613	16.0
236.04704	3.7
236.08380	3.0
237.05486	6.4
237.09023	6.5
238.06357	2.4
247.07675	3.8
248.04727	4.8
249.05554	3.5
250.06276	7.7
251.07048	7.3
252.07872	6.5
253.08698	3.2
261.05496	4.1
262.06296	8.0
263.07013	19.8
264.07950	5.3
265.05133	3.8
265.08542	9.9
267.07272	2.6
267.10327	6.5
276.07886	3.4
277.08664	5.0
278.05988	2.1
279.06512	5.6
280.07300	7.8
281.08456	4.3
283.09671	2.9
291.06485	2.8
292.07407	4.2
293.08063	10.3
294.08838	3.4
295.09656	15.8
297.07651	4.1
297.11166	3.0
305.08115	3.9
307.09631	10.9
308.06799	6.1
310.08408	3.9
313.11395	6.4
322.08380	4.5
323.09186	24.7
325.07300	3.3
325.10669	26.2
327.12271	7.5
337.10770	24.7
340.09451	3.6
341.10852	6.7
343.11566	3.5
345.10278	2.8
355.11844	51.3
355.18674	2.9
373.10019	8.6
373.14438	15.6
373.18283	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74986	0.9
52.47277	0.9
53.10948	1.0
55.01883	2.3
55.05501	3.2
57.03435	1.2
65.03947	1.4
67.05489	3.7
69.03428	2.8
69.07058	3.4
70.06581	2.7
71.04982	1.1
71.55479	1.9
71.85385	1.1
72.08162	1.3
79.05499	3.2
81.03410	3.6
81.07056	2.8
83.04987	2.2
83.06089	3.6
83.08605	1.4
84.04500	3.5
84.08141	2.5
85.02908	5.2
85.06528	2.7
86.06048	1.5
86.09718	16.5
87.04481	1.2
89.32210	0.9
89.53974	0.9
90.57682	1.1
91.05482	9.1
91.14101	0.9
93.07047	3.9
95.04974	6.4
95.08587	4.2
97.02885	2.9
97.06514	2.8
99.08097	4.3
100.07601	1.4
100.11243	2.2
101.07102	1.5
101.11598	1.0
103.05479	1.5
105.07031	4.4
107.04959	3.0
107.08602	2.3
109.02887	2.8
109.06506	3.5
109.10170	3.6
111.04434	2.5
115.05472	3.6
117.06990	3.5
119.04951	6.0
119.08621	4.8
121.02883	1.5
121.06497	3.2
121.10120	2.1
122.03651	2.5
122.06071	1.3
123.04435	1.7
123.08102	1.6
124.05244	2.5
124.07584	2.7
125.05998	2.3
125.09615	2.4
127.03928	2.9
128.07101	1.5
130.04109	1.2
131.04939	2.4
131.08543	1.6
132.10199	5.0
133.02885	1.7
133.06503	1.8
133.10130	5.2
135.04350	1.8
135.08037	1.2
135.11688	2.9
137.02432	1.0
137.05988	29.6
137.09608	4.6
143.04921	1.8
145.06496	5.9
147.04437	6.7
147.11523	1.1
149.05957	3.1
150.06773	4.7
151.03889	2.2
151.07538	3.2
151.11168	1.5
153.05476	1.2
154.08701	1.3
155.10690	1.3
157.10034	1.1
158.03624	7.3
160.03954	2.0
161.05991	3.0
162.03238	1.4
162.06761	1.4
165.05542	1.2
165.06996	1.2
166.08649	1.2
167.07014	1.6
171.84515	1.1
173.05989	17.0
175.03903	4.5
175.07550	3.7
175.14795	2.5
177.05464	2.8
177.06961	2.0
178.07788	1.3
179.03410	11.1
179.06999	2.8
180.07848	2.3
181.04984	10.0
182.15369	1.8
183.15764	2.5
185.05853	1.0
186.03152	5.4
187.07568	2.2
189.05443	1.6
189.06996	1.8
191.07047	1.5
191.08592	1.2
193.04930	1.4
193.12123	1.8
193.15891	9.4
194.07317	1.7
196.14455	3.9
197.12917	2.3
201.05479	100.0
203.05238	1.1
203.07002	2.7
205.06526	5.9
206.07170	1.5
210.14922	1.7
211.13184	1.8
211.15146	3.0
211.16986	5.5
213.05531	1.2
217.06488	1.3
219.06488	12.2
219.08270	1.1
221.05974	1.3
221.09633	1.4
222.06760	4.3
223.07458	1.8
224.13948	2.0
227.06853	1.2
228.15924	1.7
231.06517	2.9
233.05968	6.9
234.06677	6.0
235.07608	1.2
237.09114	6.4
242.15041	2.0
245.05875	1.5
247.07652	1.6
249.05533	2.5
250.06290	4.8
251.07098	3.1
253.08641	1.8
261.05392	1.6
262.06265	1.8
263.06985	1.5
264.07834	2.4
265.08636	13.3
267.06552	1.4
267.11234	1.4
269.08051	2.0
273.05316	1.4
277.08490	2.7
278.05844	2.7
279.06519	2.3
281.08038	1.9
282.08853	1.7
290.05838	2.2
292.07242	5.5
293.08063	11.6
294.08856	1.6
295.05963	1.3
297.07785	1.3
297.11200	3.0
299.15005	1.0
305.08011	3.1
307.09671	13.3
310.08255	2.7
311.09274	1.5
313.10867	2.8
317.15079	3.2
323.09311	1.3
325.10709	35.5
327.12314	1.6
337.10614	2.9
338.21527	2.3
341.10483	1.7
343.11792	3.0
355.11725	11.2
355.23602	4.2
356.22485	1.5
373.13339	10.0
373.18289	15.1
373.22083	0.8
373.25500	1.5
392.32114	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.3
57.03421	1.3
65.03940	1.8
67.05495	2.7
68.86410	1.0
69.03425	3.9
69.07082	2.1
70.06570	1.3
70.14017	3.2
72.58893	0.8
79.05482	1.9
81.03410	3.1
81.07043	3.8
83.04953	1.3
83.08599	1.3
84.04496	2.4
84.08144	1.4
85.02909	3.5
85.06551	1.2
86.09711	12.5
91.05486	8.6
93.07036	2.1
95.04971	3.9
95.08579	2.4
97.02895	2.8
98.21530	1.1
99.04485	1.0
99.08083	1.5
102.04695	1.2
103.05463	1.6
105.07012	3.5
107.04915	1.5
107.08549	1.4
109.02879	1.4
109.06544	1.9
109.10141	2.4
111.04468	2.7
115.05447	3.9
117.06998	3.7
119.04930	6.9
119.08626	4.8
121.06490	1.4
121.10171	1.7
122.03618	2.5
123.08074	0.9
124.05207	1.9
125.06053	1.0
125.09631	2.4
127.03910	2.4
131.04927	1.5
132.10231	1.6
133.02882	1.1
133.06424	1.0
133.10153	5.6
135.04428	2.4
135.11725	1.5
137.05983	26.1
143.04930	1.5
143.11853	1.0
145.06526	5.7
145.10126	1.4
147.04419	6.8
147.11610	1.2
149.05946	3.3
150.06749	4.1
151.07565	1.7
157.10085	1.7
158.03638	6.1
158.99597	0.9
159.04436	1.2
159.11682	3.3
160.05260	2.4
161.05922	2.7
162.06830	2.4
165.05469	2.6
171.11620	1.7
173.05986	16.7
173.09616	2.1
175.03879	4.4
175.07487	2.6
175.14836	2.9
177.05499	1.4
177.07014	1.6
179.07019	2.2
180.07782	1.6
181.05026	1.1
183.11627	0.9
186.03113	5.5
187.03946	1.0
189.05435	1.8
191.07030	1.1
193.04974	1.2
193.12209	3.9
193.15860	5.3
194.07196	1.8
196.14374	1.3
201.05475	100.0
202.05713	1.0
203.07072	1.6
205.06561	4.8
206.07277	1.4
211.09628	1.9
211.13171	1.3
211.16910	1.5
213.12700	2.3
217.08632	1.7
219.06522	11.3
222.06770	3.3
229.12355	1.2
231.06337	2.3
233.06044	6.8
234.06709	5.1
237.09187	4.5
239.07008	1.9
242.14853	1.2
247.07587	1.3
249.05424	1.5
249.09193	1.5
250.06355	6.2
251.07085	1.7
259.13278	4.2
261.05801	1.6
262.06155	1.7
263.07013	1.7
264.07870	1.6
265.08658	12.7
266.09564	1.4
267.06577	1.4
273.05527	1.1
275.06891	1.1
277.08563	3.0
277.14313	2.2
278.05722	2.8
279.06296	1.5
282.09030	1.5
290.05704	2.3
292.07352	6.0
293.08075	11.4
297.11124	4.8
305.08121	4.7
307.09604	12.0
310.08340	2.8
313.11475	1.6
325.10721	35.4
325.81305	1.1
337.10767	4.8
343.11716	2.1
355.11716	10.4
373.13705	5.5
373.18274	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	372.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89074	0.9
53.03946	1.7
55.01859	1.4
55.05494	1.4
57.03428	2.8
61.89729	1.0
65.03926	1.2
67.05488	4.5
69.03419	2.0
70.06569	1.0
70.25395	1.1
71.55213	1.3
79.05489	4.5
81.07046	2.3
82.06577	1.0
83.08632	1.0
84.04506	9.6
85.02908	17.9
87.04428	1.2
89.83547	1.3
89.92307	1.0
91.05476	2.9
93.07037	5.3
94.06559	3.6
95.04946	1.1
95.08607	6.0
96.04453	1.2
96.08118	4.7
97.02883	3.2
97.06528	3.0
100.07607	3.0
100.11246	1.6
102.05548	3.3
105.07037	3.4
106.06584	1.6
107.04942	1.2
107.08595	4.3
108.04456	1.1
108.08105	5.9
109.02859	1.0
109.06475	2.0
110.07174	1.6
111.08071	4.2
116.07161	1.0
119.08568	6.1
120.08135	2.1
121.06503	3.3
121.08872	1.3
121.10115	2.9
122.09664	7.9
123.08089	1.1
123.10442	3.4
124.11240	9.5
127.03893	2.0
130.05040	1.7
133.10141	2.3
134.09673	3.9
135.07130	1.1
135.08029	5.8
137.05959	1.9
137.09659	3.2
139.07570	1.4
144.08083	1.1
146.08151	7.4
146.09665	2.7
147.10590	1.3
147.11694	4.8
148.11191	3.2
149.12044	1.1
149.13289	2.6
150.09073	1.5
150.12805	1.2
153.05478	1.3
153.09102	2.1
160.11232	1.6
162.09160	5.7
162.12805	8.4
163.03931	1.6
163.06137	1.1
164.10703	1.9
170.09621	4.8
172.11301	1.6
175.11131	5.3
180.10201	3.9
181.04950	10.5
188.10722	1.6
190.12289	13.9
191.13120	1.3
192.13783	2.6
198.09177	8.5
201.05443	3.4
206.11760	3.4
208.09691	7.6
208.13298	17.7
210.07649	1.5
227.17599	1.8
230.15363	1.6
234.11284	3.6
236.12788	19.0
252.12305	18.7
254.13887	74.3
269.05862	2.0
276.15985	1.8
280.15509	1.1
282.13284	1.1
294.17081	1.5
310.16507	4.2
312.18106	2.5
322.16541	9.8
340.17557	42.5
342.10315	1.1
354.19116	54.7
371.63043	1.3
372.12512	2.8
372.20200	100.0
373.20605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01870	1.5
55.05502	1.4
55.93538	1.3
56.66267	0.7
56.96556	3.1
57.03426	3.0
58.06604	1.2
58.14013	0.8
61.02930	3.8
65.03953	0.8
69.03431	10.2
69.07100	1.0
70.06584	2.7
71.04973	1.6
71.28011	1.3
72.04485	0.9
72.08139	0.7
73.02906	2.6
79.05511	1.4
81.03431	6.3
81.07055	1.8
84.04498	2.2
84.08144	2.0
85.02909	27.9
85.06557	1.0
86.09704	1.0
87.04480	2.3
89.03912	1.1
91.03963	1.3
91.05486	2.4
93.07053	0.9
95.08597	1.0
97.02885	10.2
97.06542	4.3
98.06080	1.0
98.97592	4.2
99.04448	2.2
102.05593	0.7
103.05447	2.0
104.98322	2.2
105.07031	4.4
106.06503	0.9
107.04967	1.7
108.08038	1.0
109.02869	2.7
110.97642	1.0
116.05291	1.0
116.07117	1.3
116.98608	1.1
117.07001	1.6
118.06524	2.4
119.04970	0.9
119.07325	4.6
120.08109	4.7
122.06049	1.7
124.07593	9.5
127.03926	6.9
127.07542	1.5
128.98592	1.1
129.06996	2.6
131.04941	1.9
131.07330	1.2
135.04445	2.0
136.06201	4.5
137.05963	0.9
138.05479	0.8
139.07570	1.0
144.95830	0.9
145.04970	4.1
146.09673	6.3
147.04364	3.2
149.51660	1.1
150.09076	1.5
157.08601	3.9
158.99666	1.0
162.09135	0.8
163.03918	6.3
164.10722	94.2
177.05452	1.7
178.05003	2.4
181.05028	1.6
192.10207	1.9
194.02966	1.9
203.52583	1.7
206.04509	4.8
207.04810	1.8
208.04984	2.2
210.11259	100.0
211.14388	1.1
212.53113	2.2
218.01225	1.8
219.01744	2.0
222.00798	1.0
231.05377	2.1
236.02272	3.2
237.02722	2.6
252.12242	1.0
254.13901	2.2
262.00192	5.2
263.00586	1.2
280.01321	6.7
286.01016	1.3
290.57016	2.7
291.07532	1.0
336.14377	1.4
354.19214	1.6
356.06989	1.8
372.13132	1.0
372.16248	8.2
372.20386	3.9
373.09363	1.0
373.15579	1.1
375.09668	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.8
55.05516	15.7
56.96553	1.4
57.07079	12.7
59.04982	1.4
60.30285	1.0
67.05508	22.9
69.07072	40.4
70.59734	3.4
71.04998	3.0
71.08640	9.2
79.05499	10.2
80.84771	1.3
81.07059	100.0
83.08621	24.4
85.06553	9.4
85.10185	2.4
91.05476	2.0
93.07043	12.4
95.08614	67.8
97.10167	20.1
98.97570	1.2
99.08098	10.2
102.96883	1.5
107.08598	14.5
109.10165	40.9
111.08095	6.0
111.11733	12.0
113.09659	3.6
119.08554	1.9
120.97889	1.9
121.10160	7.5
123.11715	33.4
123.12590	2.2
125.09658	1.3
125.13272	4.6
125.83633	1.1
127.11255	1.6
129.12822	1.2
135.11693	4.8
137.13257	12.6
141.12735	3.2
149.13277	15.8
151.14824	7.5
155.14314	1.6
163.14789	6.9
165.16434	4.4
167.14349	7.6
177.16344	3.4
179.17978	2.0
183.17513	1.1
191.17996	2.3
193.19513	3.0
197.01227	1.2
205.19499	2.5
207.21147	1.5
219.21092	3.2
263.27399	3.7
268.26410	2.8
275.27347	9.8
281.28241	1.9
293.28369	14.2
311.29373	1.6
355.07251	1.5
371.19995	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
54.72855	1.6
55.05524	8.4
55.05724	1.5
57.03424	3.1
58.65926	1.8
59.04988	1.9
67.05508	4.8
69.03419	5.8
69.07056	3.9
70.06583	1.7
71.05002	2.2
71.56087	2.4
73.04749	1.8
75.44088	2.1
79.00718	1.6
79.05486	8.7
81.03432	3.2
81.07069	12.6
83.04976	2.0
83.08628	15.5
85.02912	17.3
85.06549	4.6
91.05469	16.3
91.46571	2.1
93.07065	13.8
95.04975	9.8
95.08601	9.6
97.02895	7.5
97.06548	15.8
99.04446	4.1
99.08106	5.2
99.13799	1.9
100.11256	2.0
103.05513	2.1
105.07033	28.5
107.04951	3.4
107.08582	14.1
109.02874	4.5
109.06488	2.7
109.10168	7.0
111.04507	2.1
111.08083	3.7
115.05444	3.2
117.07043	2.7
119.08586	11.3
119.23941	1.5
121.06488	3.2
121.10143	8.9
123.08057	1.8
127.03911	7.7
129.05467	2.7
129.06987	5.3
130.05002	1.6
131.08574	33.7
133.10139	100.0
135.08090	5.7
135.11678	3.7
137.05974	9.8
143.08618	3.1
144.09380	2.2
145.10109	14.5
147.11713	10.2
149.09654	6.8
149.13264	7.4
151.03905	2.1
151.11183	3.8
153.09148	5.7
156.05724	2.9
158.10918	10.3
159.08025	2.5
163.11255	4.5
163.14844	2.3
167.07036	8.1
173.11769	3.9
173.13272	82.0
175.07620	4.2
191.10597	1.8
191.14311	59.0
197.12401	1.8
209.15379	16.6
217.08609	6.7
233.09628	2.9
261.08908	2.2
285.07596	3.4
300.09842	6.3
301.10596	2.2
309.11340	3.2
310.18341	2.2
321.11267	3.6
326.11584	2.7
331.34003	1.9
339.12454	2.8
353.10135	2.2
353.13901	4.0
371.11185	2.6
371.16000	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.3
55.05495	2.8
62.42677	1.4
67.05486	3.5
69.03412	5.0
69.07047	2.1
71.04970	1.6
72.08149	1.6
79.05465	4.1
81.03379	2.2
81.07038	8.2
85.02891	2.4
91.05472	6.4
93.07027	4.0
95.08588	3.3
98.21474	4.5
105.07026	5.4
107.04952	1.8
107.08598	16.4
109.06513	2.9
109.10130	7.1
114.25507	1.4
117.07067	1.9
119.08569	4.0
121.06459	2.5
121.10152	10.1
122.07269	4.8
131.08537	2.8
133.10138	100.0
134.18636	1.6
135.08078	10.5
137.05998	2.7
137.09621	61.7
145.10109	2.1
149.13289	9.0
156.05557	1.6
163.14819	4.6
167.06990	5.2
173.13287	7.0
176.39131	1.6
187.07553	2.2
191.14316	43.5
209.15356	6.4
250.06143	2.2
263.06824	1.5
265.08612	3.0
267.06540	1.7
278.05624	2.1
279.06482	1.5
293.07947	2.6
325.10727	4.1
339.08496	3.9
339.12268	2.8
353.10165	4.0
353.13855	1.8
366.09708	2.4
371.11206	4.6
371.15247	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
53.88157	2.4
55.01869	2.9
55.05510	8.9
57.03444	3.3
67.05507	6.0
67.35104	2.4
69.03428	13.2
69.07067	10.6
69.21123	27.0
71.04987	7.8
76.49927	2.4
79.05497	10.5
81.03411	7.5
81.07057	14.4
83.04984	10.9
85.02919	12.8
91.05473	6.2
93.07042	15.2
95.04981	5.7
95.05824	2.3
95.08600	26.9
97.02885	5.0
97.06528	5.4
98.20793	5.6
99.04373	2.6
99.08095	4.7
105.07034	16.3
107.04936	5.8
107.08607	37.0
109.02896	4.7
109.06499	8.9
109.10159	17.8
119.08565	9.9
121.06523	5.1
121.10149	38.6
123.04420	2.7
123.08067	7.7
123.11707	4.0
125.09643	12.9
131.08574	9.6
133.06491	3.2
133.10139	44.1
135.08080	14.2
135.11699	6.2
137.09641	10.4
139.07529	3.2
139.11171	6.2
143.08617	2.6
145.05020	4.8
145.10124	7.1
146.09129	3.3
147.11745	13.3
149.05972	2.9
149.09613	14.4
149.13271	20.2
151.03868	3.9
151.07545	10.3
151.11192	94.4
153.09082	4.8
158.10951	2.7
163.07578	2.8
163.11188	6.5
163.14821	18.5
165.12787	9.4
167.07065	7.6
167.10724	3.7
173.13286	29.0
175.07568	2.7
176.18083	2.4
191.10744	4.5
191.14311	100.0
200.23080	3.0
209.15381	77.3
217.08624	2.8
219.10262	3.3
309.11090	3.3
326.73508	2.6
339.12418	3.1
371.13098	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	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
55.05513	3.5
67.05502	3.7
69.03450	7.4
69.07067	3.7
70.56795	2.8
70.57159	1.9
71.05004	1.3
74.18728	1.2
79.05492	5.3
81.03402	2.6
81.07070	8.5
83.05019	2.3
83.08636	2.1
83.77222	1.1
84.08139	1.3
84.30995	1.2
85.02903	4.2
85.06557	1.5
91.05470	5.7
93.07043	5.3
93.24545	1.1
95.04962	1.5
95.08605	3.1
97.02918	2.0
98.21436	1.1
105.07047	7.5
107.04971	3.0
107.08597	17.5
109.02862	1.6
109.06534	5.8
109.10162	6.8
111.04444	1.2
111.08086	1.5
117.07045	1.8
119.08591	3.1
121.06474	2.7
121.10160	12.3
122.03629	1.7
122.07285	1.7
123.04465	1.3
123.08092	2.5
127.03876	1.4
127.88794	1.3
128.35538	1.3
129.05447	1.4
129.06984	1.6
131.08571	4.3
133.10138	100.0
135.08064	10.9
135.11716	2.7
137.05997	7.3
137.09625	49.9
137.15353	1.2
143.08513	1.6
145.04958	1.4
145.10146	3.9
147.11617	2.1
149.09668	1.7
149.13251	12.3
151.07558	1.6
151.11145	2.3
161.05989	1.6
163.14743	3.5
166.06316	1.5
166.12259	1.4
167.07060	4.6
172.65369	1.4
173.13269	8.4
175.07526	1.4
181.04842	1.5
187.07562	1.9
191.10699	2.3
191.14308	39.2
207.12083	1.4
209.15384	10.8
215.07121	1.4
217.08560	2.9
250.09013	2.4
264.14435	1.3
285.07486	1.6
300.09943	3.0
309.11469	1.9
313.75079	1.2
353.11304	2.9
354.36145	1.4
371.07462	2.1
371.11417	2.1
371.18768	2.1
385.71448	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03935	1.8
55.01869	1.3
55.05510	1.3
57.03431	1.8
57.07073	0.8
61.02930	4.3
67.05501	2.4
69.03083	1.0
69.03432	11.8
69.07065	1.8
69.59428	1.2
69.59838	3.6
71.04984	1.3
73.02919	1.3
79.05499	1.3
81.03423	8.0
81.07060	3.8
83.04964	2.6
83.08607	1.2
85.02914	30.7
87.04484	1.4
91.03950	0.9
91.05502	1.4
93.07040	2.2
95.04992	4.7
95.08609	4.4
97.02906	8.8
97.06561	0.8
98.20757	0.9
99.04456	2.4
105.07036	2.1
107.04974	0.9
107.08608	5.1
109.02881	2.7
109.06524	4.0
109.10142	1.9
117.06921	0.7
119.08585	2.6
121.10157	6.7
123.08074	3.2
123.11748	3.1
127.03925	5.9
133.02831	0.6
133.10152	2.3
135.08046	1.4
137.05972	0.8
137.09633	5.8
137.13243	1.3
145.04965	6.6
147.11708	1.8
149.09645	6.1
149.13258	3.1
151.11200	26.2
165.12769	35.7
167.07085	2.0
173.13242	1.7
175.07571	0.8
191.14302	5.3
193.15834	3.5
203.08542	0.6
209.15382	100.0
210.15729	1.4
285.07684	0.8
297.42230	0.7
353.14124	1.0
371.16080	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68819	1.7
53.03945	3.5
55.01867	3.7
55.05514	3.2
56.96560	20.6
57.00232	1.9
57.03434	4.8
57.48010	1.8
61.02919	8.0
61.66274	1.6
67.05517	1.8
69.03438	22.0
69.07083	2.3
70.02950	1.6
70.06588	1.8
71.05002	3.2
71.06021	4.3
73.02921	9.3
73.04772	2.1
74.02445	12.6
81.03416	6.2
84.08115	2.7
84.96031	6.2
85.02907	57.0
86.03247	1.8
87.04456	4.9
88.03990	3.2
91.05443	4.5
92.05033	2.6
94.06570	76.1
95.04964	3.3
97.02902	21.1
98.97591	34.5
99.00819	10.4
99.04469	4.4
101.05997	2.1
104.04990	6.0
106.06549	1.8
107.04993	2.1
108.73439	1.8
109.02884	6.1
110.97578	9.4
111.04454	1.9
112.00706	1.9
112.99148	3.0
115.03945	3.4
116.98628	7.4
118.06541	30.2
120.04467	26.3
120.36330	1.6
122.06025	2.4
124.99094	2.3
125.05949	2.8
127.03905	14.5
128.98619	4.9
130.02856	2.7
130.06534	5.1
131.00127	2.1
132.04480	3.6
132.08069	5.1
136.06152	3.7
136.07590	42.7
137.05995	3.9
143.00163	2.9
143.01895	2.9
143.06958	1.8
145.04971	10.1
146.06030	61.1
146.08098	2.9
147.04413	6.7
150.05502	33.0
155.01837	2.1
156.04456	2.5
158.06046	2.6
158.99680	10.8
160.07588	4.0
161.01289	3.2
161.02890	5.1
163.08662	7.3
164.07062	5.4
167.07169	3.1
168.08063	2.5
170.06047	7.8
170.99725	2.1
172.07585	2.6
174.05528	23.4
176.44832	1.9
177.00729	3.8
177.05644	2.3
179.00185	2.0
184.07623	5.6
185.01312	2.0
185.03053	1.8
188.07086	2.9
189.00829	2.6
190.05066	2.9
191.03912	9.3
192.06564	90.6
196.07646	4.0
197.01276	2.9
198.05484	2.9
198.09126	3.7
200.04416	15.2
201.00729	3.7
202.08853	2.0
203.02240	2.6
208.07635	2.8
209.04970	3.5
209.09229	100.0
214.08687	4.0
218.06830	1.8
219.01807	11.2
219.06973	3.8
223.06450	3.1
225.07187	2.8
234.07629	7.4
236.07315	2.1
237.02867	10.1
237.08051	3.3
241.07666	2.0
244.09671	2.2
249.08000	2.2
255.09064	3.7
262.10812	4.9
263.06024	2.2
266.08194	3.7
267.09009	8.7
270.07590	9.3
271.08038	1.8
274.73111	2.2
280.11841	4.6
281.07095	6.5
282.07468	2.3
285.10089	2.5
290.08453	2.7
298.12939	3.9
300.08923	4.3
307.10577	3.4
309.08298	2.5
318.09766	11.8
319.06732	2.3
328.60541	2.2
329.09058	5.5
335.12399	4.1
336.10754	8.9
347.10037	7.3
353.13361	4.3
371.06317	4.0
371.10187	5.6
371.14365	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.1
53.70140	2.0
55.01869	5.5
55.05511	4.7
56.96568	33.7
57.03442	9.9
61.02919	8.1
69.03435	25.4
69.56345	8.3
69.56750	4.1
70.06596	5.8
71.05000	3.5
73.02910	10.9
73.04753	3.8
74.02444	10.6
81.03421	9.5
84.08136	2.9
84.96043	9.2
85.02911	65.1
86.09695	3.4
87.04481	3.6
88.03975	4.1
91.03962	2.2
91.05443	4.2
94.06571	73.7
95.04961	6.2
97.02905	23.8
98.97592	57.4
98.98148	1.6
99.00820	8.7
99.04447	7.3
99.60872	2.2
100.07604	4.2
101.00872	3.3
104.05011	5.1
109.02885	7.5
110.07101	2.3
110.97576	16.7
112.99102	3.5
115.03953	3.2
116.98617	12.3
118.06554	24.7
119.01858	6.0
119.04938	2.4
120.04479	20.8
122.06042	2.7
122.07207	2.6
124.99168	2.7
125.06025	3.5
127.03913	19.5
128.98611	11.3
130.06569	3.2
131.00124	2.8
131.01848	2.5
132.04433	4.6
132.08102	4.1
134.06020	2.3
136.06375	12.3
136.07581	36.8
137.06000	6.8
143.00175	7.8
143.01918	4.7
144.98050	2.4
145.04980	12.2
146.06023	47.9
146.08014	4.2
146.99675	5.0
147.03310	2.4
147.04419	9.4
149.53009	2.3
150.05510	74.2
152.98613	3.4
155.01886	2.3
155.04655	2.2
156.04430	3.1
158.06050	3.1
158.99666	15.3
160.07603	4.5
161.01233	3.6
161.02919	6.5
163.08669	8.2
164.06998	2.6
167.07077	4.3
169.03404	2.4
170.06044	5.9
170.99675	6.2
172.07640	2.8
173.02969	4.0
174.05536	22.6
177.00719	6.6
178.08572	2.1
179.00122	3.1
183.05005	4.4
184.07550	3.9
185.02931	5.4
188.07063	4.7
189.00717	5.9
190.05118	3.7
191.03908	11.3
192.06564	79.5
194.06078	2.6
196.07549	5.0
197.01393	4.7
200.04494	13.6
201.00708	7.0
209.05029	3.2
209.09221	100.0
210.58200	2.3
211.06416	5.3
219.01799	30.2
219.06912	6.3
223.06558	4.0
234.07684	5.6
236.07079	3.0
237.02774	26.3
237.07999	9.5
241.07462	8.2
242.03673	2.7
244.04234	4.3
245.07007	4.2
249.08197	5.0
251.04062	2.9
251.10414	2.3
255.09056	6.0
257.07498	2.6
262.10724	4.9
263.04150	2.8
266.08115	3.9
266.10818	2.1
266.58487	2.9
267.09067	13.5
270.07635	11.7
273.02838	2.2
280.11890	3.4
281.06985	12.3
281.57361	3.1
285.10065	5.4
287.10489	3.1
291.03818	2.4
291.07025	2.5
298.12955	4.0
307.10461	3.4
309.08197	3.4
311.05722	2.7
318.09799	13.3
329.05457	7.2
329.08997	8.7
335.12418	3.6
336.07007	2.9
336.10794	5.3
347.06516	3.2
347.10129	7.6
348.06580	2.5
351.09058	2.9
353.13400	3.5
371.06424	15.4
371.10229	5.4
371.14224	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	371.0975
Annotation	5-Hydroxy-6-methoxy-7-O-beta-D-glucosylcoumarin
Peak:m/z	Relative Intensity
52.77967	0.4
53.03939	1.0
53.93038	0.5
55.01866	1.3
57.03439	2.7
61.02930	3.5
64.00294	0.4
67.05505	0.5
69.03431	9.7
69.50197	3.7
70.06592	0.6
71.01365	0.8
71.04989	0.9
73.02928	2.6
73.04738	0.6
79.05474	2.2
81.03408	2.4
81.07056	2.0
83.01328	1.0
83.04977	0.7
85.02911	25.2
87.04459	1.8
91.03971	0.8
91.05481	1.8
93.07088	2.2
95.04982	0.9
95.08614	1.0
97.02887	5.6
97.06508	0.8
98.21503	0.9
99.04447	2.1
100.10172	0.5
101.02401	0.7
103.03936	1.5
103.05427	0.7
105.06367	0.6
105.07037	4.3
106.02966	0.6
107.04953	2.0
107.08620	0.9
109.02885	2.9
109.06536	1.8
111.04443	0.8
119.04911	1.3
119.08542	1.6
121.02840	0.5
121.06486	1.3
121.10146	6.7
121.81934	0.5
123.08057	1.0
124.03952	1.1
124.07568	0.5
127.03919	5.4
129.06995	0.6
131.04918	0.6
131.08522	0.8
135.04356	0.6
137.05972	0.7
139.04013	0.5
145.04971	3.0
147.04437	3.7
149.02383	0.6
149.09630	36.3
151.03870	0.5
151.11194	1.2
153.01831	1.5
153.05482	1.3
161.06012	0.7
163.03909	22.2
167.06987	0.6
177.05511	0.5
181.04886	0.9
183.98868	0.4
191.03409	1.6
191.10654	0.5
191.14317	14.8
192.04190	11.1
193.04976	0.8
205.05019	0.9
207.02864	0.7
209.04456	100.0
209.15361	1.1
210.66270	0.5
217.04991	0.7
233.04475	0.5
251.05438	0.8
278.88965	0.5
297.60254	0.5
355.06772	0.8
371.09622	9.0
371.16730	4.0
371.21423	0.6
376.25507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96068	1.1
55.05496	1.5
59.02525	1.4
67.05500	1.2
69.03436	3.2
69.07056	1.6
71.55051	1.7
73.04737	1.8
78.52188	1.3
79.05490	3.9
80.70773	1.0
81.03392	1.5
81.11135	1.0
85.02892	4.5
86.09705	1.8
89.03893	3.5
91.05479	4.7
93.07047	1.5
95.01313	1.6
95.08595	1.7
97.02887	3.7
104.72773	1.1
105.01905	1.2
107.04962	3.4
107.08600	2.0
109.02902	2.1
111.04458	1.3
117.03389	6.0
119.04945	9.6
123.04396	3.0
127.03914	2.5
131.04942	1.8
135.04416	14.2
137.05977	1.7
138.03130	2.5
139.03893	3.3
145.02831	10.4
145.04893	1.3
147.04405	38.9
147.05525	2.6
149.02347	3.5
149.13292	1.7
151.07635	1.1
152.47054	1.2
153.05472	86.6
159.04419	1.9
159.33116	1.4
161.05933	2.2
163.03908	100.0
164.06900	1.6
173.13281	1.4
175.03871	1.8
177.01828	3.7
177.03967	1.8
177.05470	3.8
179.03374	1.8
181.04965	3.7
187.03871	1.5
191.03526	1.3
191.14351	1.7
193.08514	1.3
195.06534	27.2
203.01462	1.9
203.03397	37.8
205.04991	3.2
209.04520	2.1
209.15364	2.7
215.03339	6.6
215.07040	1.8
229.04962	2.2
231.02895	5.1
233.04382	2.2
261.03894	6.2
269.37524	1.2
275.05569	4.1
279.04947	12.1
285.01016	1.6
291.05081	5.8
314.90878	1.2
321.06003	4.0
339.07065	14.9
371.12411	2.2
371.16864	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	370.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
55.05513	4.7
56.96568	0.6
62.06065	0.9
67.05493	1.4
69.07083	2.8
70.06587	0.9
71.08630	6.9
72.08144	1.6
73.02911	0.5
73.38325	0.7
75.59903	0.7
79.05502	0.6
81.07076	2.8
83.05009	0.7
83.08618	9.3
83.17881	0.6
84.08127	0.8
86.06081	4.4
87.04452	0.7
87.57199	0.5
91.05474	0.9
93.07047	1.3
95.04956	0.5
95.08575	2.3
96.08142	2.9
98.06036	1.7
98.09686	5.1
99.04445	2.1
99.08073	3.1
103.05440	0.7
107.21119	0.5
108.08116	2.2
111.08085	2.6
116.10732	21.1
122.09650	2.1
124.07563	0.7
131.08562	0.6
135.47331	0.6
136.11224	0.9
138.09106	0.8
139.07541	0.8
143.10674	2.4
154.15894	2.1
166.15906	2.0
168.17430	0.7
175.09703	0.7
176.15848	0.6
178.15906	0.8
182.11705	0.6
183.10178	2.8
196.16939	6.7
201.11217	3.3
209.21748	0.6
214.18019	100.0
215.18277	0.8
236.16351	1.0
254.17520	17.5
272.18567	29.9
284.58777	0.6
352.24713	1.8
366.25098	0.6
370.25732	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54252	0.6
55.64626	0.7
56.96291	1.5
56.96570	28.3
57.03438	1.3
59.36099	0.6
61.02913	1.4
69.03430	2.8
69.77769	2.2
69.78188	1.9
71.95278	2.0
73.02932	1.1
78.42844	0.6
81.03429	1.1
84.08111	0.7
84.96037	9.5
85.02913	7.5
86.09717	3.0
87.04483	0.8
87.10053	0.7
94.06589	1.0
97.02911	2.8
98.97593	100.0
102.97063	1.1
109.02915	1.1
110.97580	44.2
112.22798	0.6
112.99156	5.8
113.40189	0.7
116.98637	22.6
117.28540	0.7
119.01943	1.0
120.66711	0.6
124.99129	4.2
125.06087	1.0
126.97069	1.0
127.03917	1.4
128.04279	0.7
128.55960	0.7
128.98619	28.6
131.00203	3.6
132.10223	2.8
133.10593	1.6
134.99677	3.8
136.06201	3.1
140.98618	3.8
143.00183	9.3
143.01909	0.8
144.98102	2.0
145.04982	1.5
146.99678	7.5
147.04419	1.1
149.01303	1.2
150.05502	10.2
152.98616	12.3
152.99765	1.1
154.00922	0.7
158.99632	8.2
161.01270	5.4
170.99672	12.9
177.00766	5.0
179.00160	1.4
189.00734	5.3
191.03854	1.4
194.99669	1.7
197.01250	1.5
200.04504	2.2
201.00684	9.5
201.05858	0.7
209.01309	1.4
209.09262	3.2
211.06432	0.9
213.00815	1.6
219.01785	76.9
221.01193	0.7
223.06404	1.0
227.02345	3.6
236.04659	0.7
237.02835	85.6
237.07988	2.4
239.02357	2.9
241.07402	1.0
242.03267	1.2
249.08083	1.6
255.03902	2.7
255.09117	1.4
257.03372	1.4
260.04431	2.1
261.02963	1.0
263.02277	2.5
267.09149	3.7
279.04010	1.5
281.03519	1.9
281.06778	1.1
282.66339	0.8
285.10098	0.9
311.04031	3.5
329.05414	29.6
329.09207	1.5
347.06494	11.4
347.10333	1.1
353.01773	1.0
355.07031	0.8
371.06516	72.9
389.07343	4.1
391.77707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.7
53.70478	1.9
55.01871	2.8
57.03458	4.3
59.04704	3.9
59.05004	78.3
61.02917	6.1
65.09020	1.8
65.23545	1.8
67.05482	2.3
69.03437	27.1
70.38898	2.1
70.39233	6.5
70.41860	1.8
71.04991	4.0
73.02926	4.1
77.04652	1.9
79.32110	1.6
79.99070	1.9
81.03423	20.4
85.02908	62.2
87.04472	76.7
93.89601	1.8
97.02897	79.8
97.06528	10.4
99.04452	7.8
104.04472	2.0
105.05510	100.0
109.02867	20.6
112.10870	1.7
119.04935	3.0
127.03925	64.8
133.57870	2.1
145.04965	63.7
147.03371	3.4
147.04419	32.1
148.06230	2.6
152.07045	2.3
163.03885	2.9
163.06033	5.6
183.08432	2.1
185.08089	2.9
208.09697	11.2
213.07605	4.5
231.08626	49.5
238.12982	2.8
249.09726	35.0
255.43820	2.1
271.81476	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.3
57.03424	1.7
57.56281	1.8
61.02916	2.8
69.03433	12.4
69.69529	4.1
69.69940	5.1
71.04986	4.3
73.02922	2.2
81.03410	16.3
85.02908	76.7
85.03426	3.9
87.04449	4.3
91.03975	1.7
97.02893	27.5
99.04458	35.3
103.03945	81.8
105.05491	4.3
109.02866	16.0
127.03921	100.0
145.04965	76.2
163.04723	3.1
163.06017	50.2
169.05017	1.7
172.57413	1.5
181.03072	1.7
187.06087	3.3
205.07100	3.3
249.09650	2.2
253.07095	1.9
271.08072	7.7
289.09216	8.2
307.10220	12.9
335.13300	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	369.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48444	2.8
50.95055	2.9
53.03958	4.5
54.34222	2.9
55.01866	3.7
55.05524	19.2
57.07069	9.9
64.52570	2.7
67.05521	24.6
69.07084	24.3
71.08624	3.1
71.55108	3.6
71.55482	4.3
75.27202	2.8
77.03947	3.8
79.05489	11.9
81.07066	65.4
83.08629	15.7
91.05486	25.7
93.07060	47.2
95.04955	8.2
95.08060	5.3
95.08617	77.0
97.10159	10.0
105.07036	54.4
106.23643	3.0
107.08608	59.9
109.06539	3.0
109.09471	4.1
109.10162	48.3
109.10845	5.3
111.08093	20.2
111.11739	4.9
119.08591	67.6
121.06494	3.1
121.10152	67.5
123.11711	32.0
125.09686	4.3
129.06973	5.4
131.08580	15.2
133.10132	33.7
135.11705	48.6
137.13252	12.9
142.55003	3.1
143.08575	9.3
145.10104	20.4
147.11703	41.5
149.13257	26.4
151.11226	4.0
152.06183	11.7
153.06958	13.4
157.10114	11.3
159.11685	31.0
161.13266	36.9
163.14833	11.2
165.12804	3.6
171.11682	12.2
173.13261	14.5
175.14827	7.6
177.12711	4.2
177.16418	6.2
179.14310	5.2
184.50807	2.9
185.13271	10.9
187.14868	15.8
189.16393	20.1
191.17958	76.3
199.14806	7.2
201.16396	15.0
203.17957	22.1
205.19518	8.8
211.14792	3.3
213.16406	25.1
215.17889	9.2
217.19580	16.2
225.16269	3.3
227.12717	3.0
227.17917	10.9
228.09344	3.3
229.19446	4.7
231.17386	7.0
233.03629	12.3
241.19429	9.7
243.21080	10.2
251.04663	11.7
251.20193	3.7
253.19440	6.5
255.21106	15.4
257.22629	4.9
269.22824	4.7
281.22504	3.7
295.02405	3.2
295.24268	7.4
309.25668	4.3
325.28873	11.0
327.07840	100.0
328.08109	6.1
351.30490	46.1
356.33206	3.8
369.12613	9.1
369.24146	12.4
369.27612	5.6
369.31552	91.3
369.35922	7.1
369.42786	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	369.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.3
57.07070	1.8
58.09744	0.8
65.71612	0.9
67.05241	0.7
67.05509	8.3
69.07073	9.4
71.34161	1.1
71.34512	1.1
75.74915	1.0
77.03956	1.0
79.05501	7.0
81.07063	22.6
83.08634	4.4
91.05487	7.8
93.07046	23.2
95.08611	29.3
95.09211	1.1
97.06512	1.3
97.10184	2.3
105.07035	33.8
107.08600	30.2
107.09206	0.6
109.10165	20.3
111.08096	1.1
117.06999	2.4
118.47400	0.9
119.08598	30.3
121.10146	23.8
123.11720	11.6
129.07039	1.2
131.08583	7.0
133.10132	17.1
135.11696	21.2
137.13263	3.7
142.07809	0.9
143.08585	1.4
144.09320	1.4
145.10127	16.3
146.10890	1.2
147.11696	32.3
149.13283	9.8
157.10143	5.7
159.11711	20.4
161.13264	25.7
163.11163	0.9
163.14806	6.3
165.12885	1.1
169.10199	0.9
171.11774	4.1
173.13300	10.1
175.14828	14.2
177.16385	4.3
179.14323	3.5
185.13275	3.5
187.14813	7.5
189.16385	17.3
190.16692	1.1
191.17972	9.7
198.18486	1.0
199.14792	3.6
201.16388	5.9
203.17961	4.8
205.15906	1.3
205.19508	1.6
207.17467	7.5
213.16386	8.2
215.17970	22.1
215.21132	1.4
217.19582	3.0
224.15768	0.9
227.17917	11.4
229.19527	16.4
231.21121	1.3
241.19592	6.4
243.21124	3.1
251.51520	0.9
253.19460	1.2
255.21071	3.4
259.20599	1.1
281.22778	2.1
295.24231	2.2
309.25677	1.0
351.30466	46.5
369.31540	100.0
369.42853	3.1
370.31897	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19864	1.3
53.03947	2.0
55.05503	8.1
56.28580	1.5
57.07079	3.1
67.05511	9.3
67.35773	1.3
69.07060	11.6
71.35170	1.4
71.35669	1.7
71.36032	2.0
72.23605	1.6
79.05502	9.4
81.07057	22.7
83.08617	4.6
85.60860	1.3
91.05473	8.6
93.07040	25.9
93.92796	1.4
95.08610	32.5
97.10152	3.2
103.50789	1.6
105.07037	43.7
107.08598	34.2
109.10168	23.0
109.40321	1.3
111.08092	2.5
111.18011	1.4
117.07043	2.6
119.08579	34.2
119.09365	2.8
121.10149	24.6
123.11712	14.5
131.08560	6.5
133.10149	20.7
135.11693	25.5
137.13249	4.0
143.08546	2.4
145.10129	17.6
147.11694	36.0
149.13249	8.7
157.10126	6.5
159.11693	23.4
159.24500	1.4
161.13254	33.8
163.14815	6.2
171.11700	4.8
173.13246	12.1
174.89482	1.5
175.14832	13.4
177.16435	4.0
179.14287	6.8
181.95868	1.3
185.13333	3.0
187.14804	8.4
189.16385	20.9
191.17973	10.5
198.18518	3.6
199.14868	5.7
201.16408	3.9
203.17964	4.8
205.15842	2.6
205.19589	2.8
207.17430	9.2
213.16379	9.2
215.17966	27.9
217.19550	4.1
227.17880	10.4
229.19510	17.3
241.19551	6.1
243.21069	2.5
255.21172	1.9
257.22702	1.9
259.20645	2.5
281.22604	3.4
295.24252	2.3
313.25119	1.6
351.30490	48.4
369.31537	100.0
369.42941	5.9
370.31741	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	369.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01857	2.1
55.05499	3.4
57.03431	4.2
61.02920	5.3
62.78719	1.8
63.08031	1.7
67.05495	6.8
69.03438	26.3
69.07059	5.2
71.04994	4.9
71.55544	2.7
79.05492	5.0
81.03425	10.6
81.07067	11.4
83.04961	8.9
85.02908	86.7
91.03948	4.5
91.05470	8.5
93.07062	10.9
95.04957	8.1
95.05497	1.9
95.08575	4.7
97.02886	18.9
97.06521	2.1
99.04404	4.1
105.07048	17.5
107.04927	1.9
107.08594	9.9
109.02871	9.7
109.06501	8.6
109.10161	6.7
115.05465	2.6
117.07001	4.9
119.05004	3.3
119.08601	19.3
121.06503	9.8
121.10137	9.9
123.04404	3.0
123.08051	4.5
123.11718	36.5
125.05987	5.2
127.03931	11.0
131.08571	6.7
133.06470	5.2
133.10121	13.8
135.08070	7.0
137.05931	3.3
137.09599	7.5
139.07497	3.6
143.08536	5.7
145.04961	10.5
145.10138	14.3
147.08040	7.3
147.11688	15.8
149.09621	52.8
151.07562	4.0
151.11180	33.0
152.07115	2.1
156.09279	5.1
157.10199	2.2
159.08118	4.6
161.05972	2.2
161.09634	11.2
161.13232	6.3
163.11191	30.5
165.12798	2.5
171.11656	11.2
173.09525	1.9
174.10342	9.2
179.10645	9.4
189.11070	3.9
189.12753	65.5
191.14307	51.9
207.07637	6.0
207.13803	100.0
208.06090	2.1
249.15010	2.4
333.16916	5.7
351.17966	6.3
369.14825	8.4
369.19254	11.2
379.52826	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.7
57.03441	0.8
57.07077	1.5
67.05497	2.7
69.03417	1.2
69.07066	1.1
70.06574	0.7
70.50843	1.8
70.51193	1.3
71.04974	1.1
81.03434	0.8
81.07056	2.1
82.06568	3.0
83.08615	1.5
84.04462	0.6
85.02896	2.4
87.00823	0.7
89.05996	0.9
91.05466	0.9
93.07058	1.8
93.59209	0.7
95.08565	1.3
97.02883	1.4
97.06536	1.8
98.06012	0.9
107.08598	0.8
108.08160	0.9
109.02871	1.1
109.10156	2.4
110.06058	7.9
111.08099	0.9
117.03389	2.3
119.04848	1.1
121.06493	1.5
121.66750	0.7
122.06023	2.3
123.04437	1.0
126.05486	4.6
127.03916	1.1
127.11215	0.9
135.11652	1.1
136.07576	57.0
138.05519	1.0
140.07050	1.1
145.02876	4.1
149.05998	0.9
151.63080	0.7
152.07066	13.6
153.12727	1.1
164.07071	100.0
166.08636	2.5
171.13818	1.3
177.05470	7.0
182.08128	91.1
183.08394	0.9
188.59122	0.7
189.09117	0.7
189.12816	1.0
189.14819	1.1
194.08148	10.5
196.09683	1.7
198.09256	1.2
207.15895	1.5
212.09183	4.0
214.10805	1.9
259.10779	1.5
301.11789	1.1
333.14447	7.1
351.15436	1.8
369.16501	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.8
53.59372	1.8
55.01865	6.1
55.05511	6.4
55.13883	2.3
55.67487	1.9
57.03426	8.4
59.04992	3.2
59.79431	2.0
61.02911	6.4
67.05506	10.9
69.03430	33.7
69.07072	4.1
71.04987	7.5
73.02940	3.8
79.05482	6.9
81.03413	11.2
81.07062	11.6
83.01317	2.0
83.04983	9.4
85.02911	66.0
85.06552	5.3
91.05479	9.6
93.07059	12.3
95.04966	8.7
95.08614	21.9
97.02892	23.1
97.06528	4.2
98.97599	3.2
99.04490	11.0
105.07035	20.1
107.04959	3.8
107.08583	13.2
109.02892	10.5
109.06487	9.3
109.10155	13.5
111.04456	2.7
113.06026	3.6
115.05482	1.9
117.03392	5.7
117.07030	5.1
119.08597	20.7
121.06477	7.5
121.10140	11.6
122.07063	2.5
123.04401	2.4
123.08083	11.8
123.11716	28.5
125.06005	8.0
126.31934	1.8
127.03938	15.6
129.07005	3.6
129.62152	2.0
131.08571	8.4
133.06476	5.8
133.10165	10.3
135.04431	4.2
135.08043	5.9
135.11716	2.7
136.07639	2.5
137.06027	4.1
137.09631	5.9
139.07545	3.8
143.08545	4.5
145.02832	6.5
145.04979	11.1
145.06554	2.2
145.10172	11.6
147.08041	9.6
147.09167	4.2
147.11702	18.1
148.09509	3.0
149.05977	5.3
149.09633	37.5
151.03908	2.3
151.07539	7.3
151.11198	28.2
152.07098	3.3
156.09335	5.9
157.10101	2.8
159.08072	4.8
159.11670	3.8
161.09668	10.9
161.13223	7.7
162.05470	2.3
163.02707	1.9
163.03905	10.9
163.11205	24.3
165.12776	3.2
171.11705	10.0
173.09647	2.6
173.13271	3.9
174.10411	7.2
175.11278	2.3
177.05492	13.7
177.66261	2.0
179.10693	9.0
182.08049	2.5
189.09210	3.0
189.12755	48.3
191.14319	44.3
193.08571	2.2
194.08115	2.4
205.12253	3.4
207.06561	5.3
207.13815	100.0
225.14862	3.4
258.59811	1.9
285.16711	2.0
303.22919	2.1
325.16101	3.9
333.17007	6.6
348.99896	1.9
351.18216	19.6
369.14932	9.6
369.19171	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	368.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
56.15300	0.3
57.06828	0.4
57.07084	4.6
58.06603	1.5
60.08170	18.1
66.19810	0.3
67.05504	0.4
69.07058	0.4
69.21310	2.7
70.07135	0.3
71.08656	1.9
80.74979	0.3
81.07065	0.7
85.10174	1.0
91.05498	0.6
93.07103	0.4
95.08581	0.6
100.16355	0.3
105.07059	0.4
107.08604	0.7
119.08578	0.5
119.91275	0.3
194.41600	0.3
301.87201	0.3
368.42532	100.0
369.42868	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	369.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15776	0.8
50.81670	0.9
50.83296	0.8
50.95670	1.0
51.02370	0.9
53.03947	5.5
55.01862	2.8
55.05503	3.5
57.03421	1.6
65.03899	1.3
67.05489	3.1
68.29733	0.9
68.90958	0.9
69.03079	1.3
69.03435	19.4
69.07070	1.6
71.04995	20.0
71.55830	1.7
72.23599	0.9
73.02919	2.4
77.03951	1.0
79.05484	6.4
81.03423	40.1
81.07063	6.9
83.04986	2.0
85.02921	11.0
91.05488	12.6
93.07040	8.7
93.48795	0.9
95.04968	3.9
95.08601	5.8
97.02899	6.5
99.04459	50.2
103.05450	1.7
105.07036	96.7
107.04969	2.5
107.08607	6.9
109.02884	13.0
109.06513	4.1
109.10168	2.0
111.08061	1.2
117.06974	1.5
119.04958	1.7
119.08595	7.5
121.06539	7.6
121.10185	1.8
123.08084	9.2
123.11693	2.2
127.03928	4.4
128.06226	3.3
129.06938	0.9
131.08585	4.9
133.06502	9.2
133.10133	64.0
135.11719	1.7
137.05966	3.7
143.08562	5.9
145.04924	1.1
145.06416	2.1
145.10167	4.4
146.07269	5.4
147.04526	0.9
147.08073	2.4
151.07597	5.1
151.11194	2.1
159.08076	1.2
161.09630	100.0
162.10001	1.0
163.11192	21.3
171.08093	1.2
173.09596	0.9
175.11177	1.4
179.09082	1.9
179.10683	39.8
180.10889	0.9
185.09592	1.1
189.09109	13.5
201.09041	1.1
203.10709	1.6
207.10112	8.5
225.11253	3.6
231.10164	1.5
249.11398	1.6
252.84013	0.9
305.13846	2.2
323.15051	1.8
337.10785	1.7
351.14398	33.6
369.15558	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	368.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06559	2.1
53.03935	5.6
55.01863	6.9
56.96531	1.9
57.03421	8.1
61.02911	7.5
62.06080	6.3
62.97266	1.9
69.03085	2.9
69.03435	38.3
69.87425	8.0
71.04977	6.1
73.02909	7.5
81.03422	19.5
81.07062	2.7
85.02909	100.0
85.06549	10.3
87.00835	46.2
87.04445	2.4
90.05575	2.9
91.05478	3.1
95.25180	2.2
97.02901	49.4
98.21332	5.1
98.97553	3.9
99.04461	13.3
105.01184	4.6
105.01875	80.8
107.04975	3.3
109.02894	20.2
109.06477	3.0
110.04943	2.3
111.04427	2.9
117.01868	2.2
118.06499	2.5
120.08144	2.7
127.03919	67.5
129.01805	3.8
132.04434	3.1
135.04573	2.1
145.02852	3.0
145.04964	46.6
145.08403	4.0
146.06001	2.2
147.04420	2.9
147.06384	3.3
153.09125	6.0
159.02887	10.6
160.07573	2.3
163.03960	2.9
171.06503	3.7
171.10184	6.6
177.05556	3.3
178.04988	26.6
188.07088	7.3
189.03818	2.6
189.07405	4.1
189.47864	2.2
193.08588	2.3
206.04498	46.6
206.08075	16.4
211.09631	4.0
229.09964	2.8
230.10081	5.9
231.04974	25.0
234.98990	2.7
249.06084	10.9
277.12646	2.2
315.10562	2.9
333.11798	3.0
350.14304	10.1
368.09317	6.6
368.13504	5.5
377.92639	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	368.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	4.3
53.48784	3.6
55.05513	9.8
57.03431	3.6
59.05014	3.9
59.61646	3.5
61.02910	4.3
67.05504	9.2
69.03426	13.4
69.07066	9.8
70.00947	8.3
70.01329	8.8
70.06586	5.9
71.04987	19.5
73.06572	3.9
79.05515	9.6
81.03420	7.7
81.07058	34.9
82.06580	4.3
82.07397	4.6
83.04987	8.8
83.08603	6.8
85.02902	28.7
85.06576	4.4
86.03242	6.8
87.04532	4.3
93.07058	18.4
95.04991	4.7
95.08594	5.1
97.02882	16.9
97.06538	7.9
99.04477	13.1
100.04742	4.4
103.03947	16.4
103.04607	4.0
104.04318	4.4
105.01869	4.2
107.08589	14.9
108.04407	4.4
109.02908	5.2
109.10146	4.4
111.08033	4.7
115.07599	5.5
116.95243	3.8
119.08633	3.8
119.81303	3.4
123.11846	3.4
125.09643	4.3
127.03929	26.7
128.04283	10.7
131.67548	3.4
135.11694	23.5
136.07579	10.8
145.04997	22.5
146.05264	7.1
147.09200	4.7
149.05989	3.8
153.09106	4.3
153.12755	100.0
158.39888	3.8
163.06049	5.6
164.07164	22.4
166.08643	8.6
168.06570	4.3
170.12633	7.0
171.10188	13.8
178.05090	6.9
182.08145	20.6
187.55013	4.5
189.11156	8.0
205.17355	3.9
206.04028	7.5
230.09984	4.9
243.11201	3.7
271.10880	5.9
272.11011	20.8
282.15350	6.2
288.10641	4.5
300.10587	9.6
318.11642	13.3
336.12668	11.2
368.09152	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	368.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26114	0.2
53.03951	0.4
55.01876	0.3
57.03449	0.5
61.02928	0.9
69.03431	2.1
71.04991	0.3
71.19440	0.4
74.47762	0.2
81.03413	1.3
85.02425	0.4
85.02904	6.1
85.29523	0.2
87.04462	0.3
91.03947	0.7
97.02879	1.8
99.04472	0.2
107.08808	0.2
109.02898	0.5
127.03926	1.1
128.11279	0.2
128.75349	0.2
132.04449	5.7
145.04965	1.3
160.03920	1.1
178.04999	59.9
179.05367	0.6
188.03426	0.4
206.04488	100.0
207.04817	1.0
208.29875	0.2
239.57932	0.3
272.28165	0.2
368.09732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68332	1.0
55.05519	4.8
57.07068	2.1
59.04976	1.1
59.69777	1.0
67.05498	9.1
69.07067	5.6
69.32521	0.9
69.74574	6.1
69.95896	1.0
79.05487	6.9
81.07059	16.5
83.04951	1.2
83.08602	2.2
91.05449	6.0
93.07044	16.8
95.08610	20.3
97.06516	1.6
97.10179	1.4
98.21515	1.3
105.07032	29.7
106.07359	1.3
107.08603	25.3
109.10159	17.1
111.08039	1.4
117.06974	1.9
119.08591	28.4
121.10140	16.7
123.08083	2.7
123.11704	9.2
125.09609	2.1
129.06970	1.2
131.08565	6.6
133.10152	13.6
135.08089	2.0
135.11697	15.7
137.13257	2.2
139.11227	1.8
143.08582	2.8
145.10127	17.0
146.10977	0.9
147.11705	33.4
149.09616	2.7
149.13280	8.4
157.10078	5.0
159.11722	15.9
161.13258	19.8
163.11182	7.4
163.14854	5.2
169.10107	1.6
171.11678	4.3
173.13283	10.6
175.14880	6.5
177.12779	6.0
177.16429	3.6
185.13269	3.1
187.14847	6.0
189.12807	1.4
189.16370	7.5
191.14343	1.9
191.17928	6.6
197.13295	1.6
199.14827	3.8
201.16389	3.9
202.79774	1.0
203.14349	2.2
203.17990	2.6
205.15904	11.7
211.14798	2.1
213.16469	7.1
215.17944	15.7
217.19580	3.4
219.17404	1.6
225.16362	4.0
227.17958	5.5
229.19518	9.6
239.17950	1.7
241.19554	3.9
243.17291	1.0
243.20926	1.3
245.19006	2.4
255.21123	1.6
257.18909	2.4
281.22574	2.4
293.22614	2.0
311.23688	3.3
349.28970	9.9
367.29965	100.0
368.30261	3.1
368.42413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2995
Annotation	CHEBI:68396
Peak:m/z	Relative Intensity
55.05512	5.1
56.75599	0.8
57.07056	0.9
65.70762	0.8
67.05508	8.0
69.07076	5.7
74.48925	0.8
79.05499	4.6
81.07060	17.5
83.05005	1.0
83.08616	3.4
91.05475	6.2
93.07046	13.3
95.08059	1.4
95.08614	17.4
97.06513	1.3
97.10143	1.0
105.07034	31.1
107.08596	24.2
109.10154	16.6
111.08072	1.0
117.07037	1.4
119.08579	25.0
121.10150	16.3
123.11707	8.1
125.09627	1.5
127.38579	0.8
130.07800	1.4
131.08572	6.4
133.10138	14.3
135.11681	15.0
137.09651	1.2
137.13271	2.1
139.11189	1.0
143.08566	1.9
145.10132	12.7
147.11696	29.8
149.09694	1.4
149.13266	6.8
151.11205	1.8
157.10146	4.2
159.11700	16.1
161.13263	17.9
163.11194	7.2
163.14833	4.2
165.12811	1.7
167.22217	0.9
171.11687	3.8
173.13295	10.2
175.14848	5.0
177.12769	4.4
177.16379	3.5
183.11803	1.6
185.13268	2.5
187.14861	6.4
189.12730	1.2
189.16411	5.0
191.14304	1.6
191.17972	3.0
197.13329	1.2
199.14859	4.1
201.16432	2.9
203.14362	1.7
203.17952	2.7
205.15886	9.0
211.14911	2.2
213.16391	7.0
215.17972	15.4
217.19427	2.6
219.17418	1.5
225.16422	1.8
227.18034	4.6
229.19557	10.5
239.17833	2.1
241.19510	2.5
243.21199	1.0
245.18971	2.8
246.55048	1.1
247.20663	1.0
255.21031	1.2
257.18985	3.1
259.20746	1.0
269.22806	1.0
271.20551	2.0
279.20999	1.0
281.22717	1.7
311.23642	3.4
349.28876	10.8
367.29965	100.0
368.30176	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	3.7
55.05514	32.4
59.04983	4.7
67.05510	43.6
69.07080	22.6
71.04990	9.6
71.55108	5.7
73.06557	7.2
79.05496	39.1
81.07061	99.7
83.04980	9.5
83.08629	5.0
85.06538	6.6
91.05486	26.9
93.07049	82.6
95.08065	6.4
95.08621	100.0
96.25959	3.6
97.06514	6.8
97.10184	14.7
105.07037	60.3
107.08601	76.0
109.06522	5.4
109.10153	48.7
115.07590	18.8
117.06985	7.6
119.08588	47.9
121.10152	74.1
123.08056	6.7
123.11719	36.1
128.06209	4.2
129.09088	5.8
131.08589	21.2
133.10121	35.1
135.08047	5.7
135.11717	47.7
137.09631	5.9
137.13286	6.9
143.08629	6.2
145.10133	26.2
147.08101	4.4
147.11734	32.1
149.09647	11.4
149.13269	97.5
151.11107	7.6
155.08571	8.5
157.10147	13.1
159.11676	21.2
161.09616	5.0
161.13292	36.9
163.11237	8.5
163.14854	14.5
167.10687	7.6
169.10179	4.4
171.11752	10.7
173.13278	9.0
175.11209	11.4
175.14825	46.6
177.09155	6.3
177.12770	6.9
177.16464	6.1
181.12270	13.5
183.11603	6.1
185.13310	20.1
187.14818	9.5
189.12848	6.8
189.16391	10.5
191.14323	5.1
193.12273	4.5
195.13693	7.1
197.13316	5.8
199.14851	9.7
203.14374	5.8
203.17924	26.1
207.13858	12.5
209.13428	4.5
209.15404	6.0
211.14862	6.7
215.14331	4.8
221.15387	14.8
225.16386	7.9
235.16971	23.7
249.18498	5.2
255.21040	8.5
273.22128	14.3
275.20074	10.7
281.22574	13.8
291.23132	5.2
299.23694	16.8
305.24710	13.9
317.24777	81.3
331.22446	5.2
331.26337	87.7
335.25867	8.4
367.22412	6.3
367.26495	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	367.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26355	3.7
53.03946	7.4
55.05504	20.1
57.07068	9.2
67.05502	39.7
69.03437	5.8
69.07073	16.8
71.04983	8.4
76.70987	2.5
79.05496	33.1
80.89844	2.6
81.07054	47.0
83.04963	7.5
83.08638	7.8
84.92283	3.4
91.04968	4.6
91.05485	56.9
93.07047	73.9
95.04979	33.2
95.08606	61.3
97.06536	11.3
102.66866	2.9
103.05492	4.7
105.07032	89.1
107.08588	55.7
109.06550	14.1
109.10153	37.0
111.08051	5.4
115.05476	4.9
117.07024	19.4
118.07779	3.1
119.08586	100.0
121.06489	9.7
121.10146	49.2
123.08101	6.1
123.11716	18.3
124.53368	3.1
128.06218	8.4
129.07007	15.0
130.07806	7.3
131.08556	54.1
133.06493	4.8
133.10133	53.7
135.08038	19.6
135.11684	17.8
137.09654	7.3
138.97462	3.0
141.06964	5.6
142.07803	17.2
143.08556	38.3
144.09311	10.6
145.10114	62.9
146.07251	4.8
147.08066	11.8
147.11681	20.1
149.09639	13.9
149.13258	4.9
155.08546	11.0
156.09317	9.9
157.10132	50.7
158.10893	8.5
159.08058	6.0
159.11674	30.1
161.09651	45.0
161.13243	9.3
163.11249	5.3
163.14717	4.3
165.07072	3.8
168.09325	5.6
169.10141	18.2
170.10901	6.5
171.11708	23.9
172.12389	5.5
173.09644	8.2
173.13264	22.2
175.11166	9.5
175.14812	13.8
177.12740	4.4
179.08549	7.4
181.10130	11.2
182.10849	4.2
183.11713	24.4
185.13260	15.8
187.14859	13.8
189.12721	4.4
194.10884	5.1
195.11708	14.2
196.15228	3.0
197.13315	15.6
199.11243	3.1
199.14793	10.9
200.15564	3.7
201.12703	3.5
201.16414	7.2
209.13272	24.1
210.14182	3.9
211.14848	8.0
213.12688	4.5
213.16289	7.7
223.14772	5.9
225.16307	6.1
227.14317	16.4
229.15755	5.2
239.18095	5.9
251.17896	2.9
253.19444	3.7
255.17525	3.6
257.19183	3.5
265.19501	3.5
269.18954	3.1
283.20581	5.0
349.25223	13.0
367.26285	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Cortolone
Peak:m/z	Relative Intensity
53.03942	1.3
55.05513	2.4
65.18705	0.9
67.05502	6.4
69.03452	4.4
69.07068	4.0
69.82446	5.1
71.04988	2.0
73.66791	1.1
79.05493	6.2
81.03419	2.1
81.07058	13.5
83.04990	3.1
83.08605	1.0
85.06535	1.9
91.05479	10.7
93.07053	11.6
95.04969	3.5
95.08617	8.1
97.02876	1.6
97.06513	3.6
98.21517	1.0
105.07036	12.1
107.04950	1.6
107.08595	9.1
109.02897	1.5
109.06517	29.2
109.10155	2.6
111.08095	1.6
117.07027	6.5
119.08595	10.5
120.65662	0.9
121.06503	3.5
121.10175	6.2
123.08064	4.8
123.11708	1.2
126.31512	1.0
127.03917	1.1
129.07011	4.9
131.04932	1.2
131.08578	13.2
133.10150	7.4
135.08069	7.7
135.11702	3.0
136.06221	1.3
137.09601	1.7
141.07043	2.0
143.08583	5.8
145.10123	10.1
147.08017	1.9
147.11716	6.3
149.09633	3.7
149.13263	2.4
151.11179	1.4
155.08575	4.8
157.10124	6.5
159.08089	4.5
159.11702	8.4
161.09615	4.0
161.13275	2.2
163.11157	1.9
167.08513	1.2
169.10190	3.0
171.11688	4.6
173.09613	1.5
173.13254	3.3
175.11191	2.8
175.14821	1.7
177.09007	1.8
177.12720	1.7
181.10071	2.0
183.11678	2.7
185.13272	6.2
187.07600	1.8
187.11234	1.7
187.14835	1.4
189.12775	2.2
191.14207	1.4
195.11652	2.4
197.13254	2.4
199.14857	2.4
203.14349	2.3
208.29938	0.9
209.13245	2.0
211.14769	5.1
213.12849	1.4
215.14372	1.1
223.14862	1.7
225.16344	2.0
227.17929	1.5
229.15791	2.7
241.16063	1.0
241.19246	1.3
243.17639	0.9
251.17940	4.0
253.19673	1.4
259.20593	3.3
265.18042	1.5
267.21075	2.4
269.19025	14.9
277.19443	2.7
287.20053	100.0
288.20267	1.8
295.20587	8.4
305.21115	55.3
313.21622	12.1
319.29871	1.0
331.22610	14.4
349.23737	3.9
367.11859	1.4
367.22311	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.2
55.01867	14.1
55.05522	35.4
56.96542	4.5
57.03431	22.4
65.09520	2.5
65.60522	2.8
67.05177	6.0
67.05510	78.0
69.03421	12.5
69.07072	50.2
69.10416	2.8
71.04984	7.7
71.19648	5.1
79.05064	4.7
79.05498	65.2
81.03429	3.7
81.06578	6.1
81.07062	100.0
83.05007	16.6
83.08617	26.8
85.06544	5.6
91.05491	51.8
93.07061	58.2
94.07378	3.4
95.04979	16.3
95.08608	48.0
97.06537	29.3
97.10187	15.7
105.07032	55.4
107.04951	18.9
107.08603	48.0
109.06544	19.4
109.10163	25.3
111.08109	5.9
117.07025	19.0
117.55121	3.0
119.08595	45.9
119.09386	5.7
121.06517	9.7
121.10145	23.9
123.08099	5.4
123.11684	10.1
125.09654	17.2
129.07008	9.1
131.08563	24.5
133.10153	27.2
135.08067	7.6
135.11707	19.4
137.09662	8.7
137.13222	2.9
143.08571	6.8
145.10127	28.3
147.11693	22.8
149.09608	20.6
149.13287	6.5
150.13686	2.9
151.11284	3.7
155.08553	5.1
157.10150	7.4
159.11723	13.8
161.13231	4.5
163.11200	12.1
165.12811	4.6
169.10220	6.4
171.10190	8.2
171.11690	9.8
173.13283	7.9
175.11214	3.6
177.12785	6.1
179.14195	3.7
183.11693	5.7
187.11293	6.4
189.11217	15.4
197.13310	3.3
227.12886	6.5
229.19513	5.8
239.17935	4.8
245.13727	3.6
247.20673	4.4
257.18939	14.8
269.17548	8.4
275.20102	74.9
293.21030	10.7
307.17038	4.6
349.23849	36.6
367.18820	10.7
367.24692	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Betaenone A
Peak:m/z	Relative Intensity
50.76881	3.8
53.03939	4.4
55.01868	12.5
55.05510	31.7
57.03432	24.4
67.05506	78.1
69.03423	6.7
69.07074	41.7
71.04989	5.5
79.05495	60.8
81.07056	100.0
83.04977	12.1
83.08607	18.2
85.06516	3.4
91.05483	47.3
93.07050	43.3
95.04964	12.9
95.08622	46.0
97.06522	25.1
97.10194	16.6
98.21504	9.4
99.08104	5.1
103.05399	4.9
105.07039	51.8
107.04942	13.7
107.08595	44.0
109.06516	10.0
109.10171	22.4
111.08090	6.6
113.08221	3.8
117.07028	16.2
119.08590	36.1
121.06514	7.8
121.10151	22.3
123.08060	6.0
123.11726	10.4
125.09628	11.1
125.93949	3.4
131.08601	18.1
133.10135	23.6
135.08105	5.4
135.11668	14.0
137.09641	5.1
143.08571	4.6
145.06401	3.6
145.10139	15.3
147.11678	17.5
149.09624	20.0
149.13243	6.3
151.11197	5.0
157.10158	7.1
159.11705	13.5
161.13289	7.9
163.11163	12.9
165.12733	6.1
165.94170	3.8
169.10089	4.1
171.10249	8.5
171.11574	6.2
173.13283	10.3
175.11194	5.2
177.12663	3.7
185.09561	3.6
185.13295	4.1
187.11111	4.1
189.11221	11.8
197.13266	6.6
227.12756	5.4
247.20773	5.8
257.18976	13.6
269.17538	9.4
275.17276	6.5
275.20071	78.0
293.21124	7.7
331.22302	3.2
349.23853	42.3
367.18552	3.4
367.19958	3.9
367.24945	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
53.28661	0.8
55.01875	5.1
55.05500	2.9
57.03441	7.4
57.07062	2.7
61.02918	7.7
63.04482	0.8
67.05499	2.6
68.99778	2.4
69.03432	43.8
69.07054	1.7
70.06575	2.2
71.04994	4.5
71.55515	0.7
71.55885	1.2
72.08167	1.1
72.16468	0.9
73.02917	4.0
79.05505	3.8
81.03416	18.4
81.06636	0.8
81.07058	4.9
82.61568	0.7
83.01310	1.0
83.04982	3.4
83.08640	1.0
84.08163	1.5
85.02907	100.0
85.06499	1.2
86.09708	1.1
87.00832	56.5
87.04510	1.3
88.65906	0.7
91.03963	1.0
91.05489	4.3
93.07050	6.7
95.04977	2.4
95.08578	4.7
97.02892	29.0
99.04453	9.3
103.03929	1.0
105.01868	69.2
105.07032	4.5
107.08588	3.7
109.02882	22.1
109.10164	2.3
117.01855	1.1
117.07019	1.6
119.08564	2.8
119.10685	3.2
120.08085	2.8
121.06528	1.5
121.08487	1.9
121.10143	2.2
123.04408	1.9
123.07996	1.3
127.03922	58.5
127.11194	1.0
129.01848	1.8
129.06995	1.5
130.01906	0.8
131.08580	3.8
133.10146	2.9
135.11681	0.9
137.05948	1.0
139.08342	0.8
143.08606	2.1
145.04964	17.7
145.10097	4.6
147.02905	1.0
147.04413	1.2
147.11700	2.3
149.09619	1.0
153.05450	1.8
154.93768	0.8
155.08487	1.2
157.10089	2.0
159.02922	4.4
159.08057	2.5
159.11743	1.1
161.09633	1.7
161.13246	0.9
163.11034	1.9
169.10202	1.1
171.11722	1.0
177.09198	0.8
181.10110	1.0
187.11162	1.7
187.47617	0.8
189.03943	2.7
195.11705	1.0
199.14789	0.9
207.11430	1.2
208.11678	1.5
209.30943	0.8
213.04013	2.1
231.05020	11.9
239.17941	4.9
241.19687	1.3
249.05957	2.1
251.17952	1.1
269.19003	7.3
287.20108	8.2
289.14993	1.0
313.21646	1.8
318.20639	1.0
349.23715	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	367.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
53.28661	0.8
55.01875	5.1
55.05500	2.9
57.03441	7.4
57.07062	2.7
61.02918	7.7
63.04482	0.8
67.05499	2.6
68.99778	2.4
69.03432	43.8
69.07054	1.7
70.06575	2.2
71.04994	4.5
71.55515	0.7
71.55885	1.2
72.08167	1.1
72.16468	0.9
73.02917	4.0
79.05505	3.8
81.03416	18.4
81.06636	0.8
81.07058	4.9
82.61568	0.7
83.01310	1.0
83.04982	3.4
83.08640	1.0
84.08163	1.5
85.02907	100.0
85.06499	1.2
86.09708	1.1
87.00832	56.5
87.04510	1.3
88.65906	0.7
91.03963	1.0
91.05489	4.3
93.07050	6.7
95.04977	2.4
95.08578	4.7
97.02892	29.0
99.04453	9.3
103.03929	1.0
105.01868	69.2
105.07032	4.5
107.08588	3.7
109.02882	22.1
109.10164	2.3
117.01855	1.1
117.07019	1.6
119.08564	2.8
119.10685	3.2
120.08085	2.8
121.06528	1.5
121.08487	1.9
121.10143	2.2
123.04408	1.9
123.07996	1.3
127.03922	58.5
127.11194	1.0
129.01848	1.8
129.06995	1.5
130.01906	0.8
131.08580	3.8
133.10146	2.9
135.11681	0.9
137.05948	1.0
139.08342	0.8
143.08606	2.1
145.04964	17.7
145.10097	4.6
147.02905	1.0
147.04413	1.2
147.11700	2.3
149.09619	1.0
153.05450	1.8
154.93768	0.8
155.08487	1.2
157.10089	2.0
159.02922	4.4
159.08057	2.5
159.11743	1.1
161.09633	1.7
161.13246	0.9
163.11034	1.9
169.10202	1.1
171.11722	1.0
177.09198	0.8
181.10110	1.0
187.11162	1.7
187.47617	0.8
189.03943	2.7
195.11705	1.0
199.14789	0.9
207.11430	1.2
208.11678	1.5
209.30943	0.8
213.04013	2.1
231.05020	11.9
239.17941	4.9
241.19687	1.3
249.05957	2.1
251.17952	1.1
269.19003	7.3
287.20108	8.2
289.14993	1.0
313.21646	1.8
318.20639	1.0
349.23715	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	367.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45764	2.3
53.03948	4.9
55.05522	16.6
57.03446	4.1
59.05008	19.8
61.02937	3.4
69.03430	16.0
70.49864	7.9
70.50216	3.0
71.04984	4.3
81.03416	8.2
81.97934	1.9
83.04996	27.4
85.02913	22.4
90.36186	2.5
97.02904	33.0
99.04456	5.3
101.06043	18.7
109.02882	12.7
119.07066	10.1
122.06078	2.8
127.03920	19.9
130.42786	2.5
140.44594	2.5
145.04958	32.1
147.09174	10.0
151.12230	2.2
157.68849	2.2
172.07564	3.2
175.08685	4.3
182.08188	2.7
184.07561	6.3
186.09157	4.7
187.12292	4.4
189.10422	2.8
198.09145	10.4
199.08617	2.9
200.07137	8.6
200.09381	3.7
201.10295	12.0
209.36807	2.7
211.08708	5.7
212.07231	2.4
214.07344	3.5
215.11789	17.6
217.09738	4.8
226.08635	4.7
227.08276	8.6
228.06859	2.4
228.08844	2.6
229.09729	22.6
243.11351	33.0
245.09451	25.1
253.09726	6.6
257.09232	14.1
259.10843	5.4
271.10797	100.0
273.12598	2.9
281.09326	14.1
281.15039	15.3
287.10287	23.1
289.11871	5.3
299.10263	26.2
305.11368	13.0
317.11359	47.5
335.12399	70.2
350.13498	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
53.70801	1.1
55.01900	1.7
55.05270	1.9
55.05514	21.1
57.03442	14.8
59.04998	4.2
60.04513	4.2
61.02928	6.0
68.99784	1.4
69.03434	16.3
69.07062	2.1
71.04986	3.3
71.54626	1.6
73.02899	2.1
73.06561	11.0
81.03411	9.8
81.07021	2.0
83.04980	10.6
83.08618	3.5
85.02910	41.6
87.00812	1.6
91.03954	2.6
91.05495	2.1
93.07041	1.7
95.08604	3.8
97.02898	34.4
99.04459	3.8
101.06022	100.0
105.01840	1.8
105.07057	1.6
109.02904	6.7
109.03516	1.3
109.10184	2.8
117.07083	1.6
119.07059	27.6
119.08530	1.2
124.07590	1.3
127.02991	1.3
127.03918	25.0
129.01868	1.6
133.10147	2.1
145.04964	31.4
147.09244	2.3
153.05551	1.7
153.06836	1.3
163.05986	2.6
166.08647	1.7
169.12181	1.5
191.07010	2.3
194.08200	1.3
206.05711	1.5
208.08095	1.9
217.08545	1.9
221.31758	1.2
227.09225	1.3
237.86378	1.3
245.08096	2.0
245.10187	3.3
263.08936	1.5
263.11261	4.3
281.15005	2.9
316.32922	1.4
324.12534	1.4
335.11908	1.4
340.66360	1.3
349.13931	1.6
349.27725	1.7
350.12491	1.6
367.14429	3.7
367.28769	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	367.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	41.7
61.02902	0.9
63.01714	1.1
68.14130	1.0
69.03435	1.4
70.01971	2.5
70.02385	2.9
71.95271	0.9
78.59205	1.0
84.96061	4.9
85.02911	4.2
97.02875	2.0
98.20798	1.2
98.97592	57.0
100.99155	24.4
110.97576	22.7
112.99144	7.8
116.07116	1.2
116.98622	11.3
119.00201	4.5
124.99120	2.1
127.00681	8.6
127.03902	1.1
128.98622	13.9
131.00203	2.3
143.00191	4.0
144.98145	1.4
145.01733	31.0
146.08160	1.2
146.99678	3.1
149.01300	1.5
152.98634	2.3
158.99667	11.5
161.01291	3.3
163.02802	49.8
170.99675	5.6
173.01331	1.7
177.00734	3.6
181.03871	9.2
186.04482	1.3
187.02814	8.1
189.00777	3.0
189.04356	1.1
191.02309	2.6
201.00702	9.3
205.03842	12.5
217.03920	3.9
217.07614	1.3
219.01785	61.6
219.05313	2.2
223.04967	2.8
237.02837	42.5
241.03851	1.9
247.05034	2.8
259.05084	1.3
263.04401	2.5
307.07028	100.0
307.10144	3.6
325.08078	61.7
325.12076	1.2
348.09546	1.6
367.09119	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	367.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.5
54.80014	5.0
55.05520	45.2
57.03425	6.4
58.25239	5.2
59.05001	27.1
61.02918	7.3
61.03440	4.8
64.95692	4.4
67.05508	5.9
69.03436	30.7
69.07072	6.4
70.06586	10.5
70.49969	5.6
70.71770	5.7
70.72102	10.4
70.80434	4.5
71.04990	23.7
81.03428	27.6
81.07051	44.0
83.04987	42.2
83.08620	39.9
85.02439	6.2
85.02911	100.0
87.00839	14.1
90.29179	5.8
92.26521	5.0
93.07066	10.0
97.02904	65.2
97.06499	8.6
99.04462	34.0
101.06014	32.5
101.09669	32.5
103.03941	41.5
105.01828	13.8
107.08564	7.6
109.02891	30.0
109.06452	7.1
109.10150	10.1
112.99388	4.3
119.07027	13.4
122.06063	6.1
123.11726	11.4
127.03912	87.2
133.10138	6.0
136.07619	6.9
139.11195	9.2
145.04979	65.4
146.05893	6.0
147.09174	30.2
151.11192	14.9
156.13885	5.4
157.12207	6.8
163.06012	15.0
168.06567	6.2
169.12236	17.8
175.08699	9.1
182.08160	14.5
184.07455	6.4
187.13380	38.6
189.10233	6.2
198.09166	12.1
198.21344	5.0
200.07060	9.4
200.09366	7.8
201.10300	9.3
205.10481	6.3
211.08665	4.6
215.11801	10.6
217.09779	6.1
227.08774	5.1
229.09669	24.0
243.11295	26.6
245.09973	21.9
257.09213	11.3
271.10770	88.3
281.09286	12.6
281.14923	43.3
287.10236	20.5
289.11826	11.7
299.10336	36.4
305.11121	13.4
317.11353	39.0
335.12357	56.1
350.13367	8.8
367.15817	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	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.4
57.03431	4.1
57.11594	1.0
59.04991	1.8
60.04512	4.2
61.90297	1.1
66.45325	1.3
67.05515	6.5
69.03423	2.8
69.07075	7.7
69.49249	1.0
70.06593	2.5
70.81876	1.1
71.05001	12.2
71.54625	1.5
72.08136	1.9
79.05499	10.2
81.03430	2.5
81.07066	63.2
83.04977	4.8
83.08611	2.5
84.04478	1.3
84.08147	1.8
85.02910	6.2
85.06541	4.3
86.09693	3.1
89.06030	1.1
91.05482	3.6
93.07037	5.5
95.04965	3.4
95.08606	5.3
97.02892	1.8
97.06577	1.4
97.10178	2.5
99.04446	2.4
99.08102	1.2
105.07075	2.5
107.04977	1.4
107.08597	9.8
109.02872	1.6
109.06490	1.7
109.10162	14.9
111.08099	1.5
113.06015	12.7
120.08076	1.4
121.10207	1.4
123.08001	1.2
123.11711	8.7
125.09669	7.6
127.03926	1.9
127.11191	1.1
129.09129	1.8
132.79416	1.1
133.10152	6.5
136.07513	1.3
137.05992	1.6
139.11163	2.6
143.10678	18.9
147.04430	1.4
151.11201	12.2
163.83916	1.2
169.12256	100.0
187.13301	12.8
192.10222	1.1
204.08493	2.1
218.09982	1.3
230.57072	1.0
234.60393	1.1
245.09210	1.7
246.09421	3.5
260.11060	1.3
263.10327	1.6
264.10687	2.3
288.10675	1.7
306.11710	8.6
324.12750	3.6
330.40695	1.4
334.11038	2.7
366.13751	16.4
366.27310	2.0
367.10254	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
53.33314	1.0
55.01865	2.7
55.05508	6.5
56.05028	1.2
57.03429	2.7
59.04985	1.9
60.04525	32.6
63.05666	0.9
66.53090	0.8
67.05507	6.6
68.05041	1.0
69.03420	4.7
69.07066	8.4
70.06569	2.9
71.04993	9.3
71.55608	1.4
72.08150	3.4
73.06528	0.9
73.83170	1.0
74.06072	2.4
79.05484	7.5
81.07062	12.4
83.04993	2.0
83.08614	6.4
84.04498	1.5
84.08152	2.0
85.02882	6.1
85.06541	69.1
86.09703	1.8
91.05460	6.7
93.07046	15.1
95.04938	3.2
95.08615	8.0
97.02907	2.8
97.06507	2.4
97.10172	21.1
99.04443	2.9
99.08080	2.3
101.07133	1.3
105.07033	5.0
107.08586	9.5
109.06533	5.3
109.10143	6.9
111.08068	11.0
113.05236	2.1
113.06005	40.5
113.09676	0.9
116.07065	1.3
117.07042	1.7
119.08566	3.5
120.08079	4.0
121.06519	1.0
121.10143	2.9
123.08046	2.5
123.11713	6.7
125.09629	53.5
125.92233	0.9
127.03935	1.6
127.11160	2.0
131.08562	2.6
133.10121	4.1
135.08067	1.4
135.11676	1.6
136.06161	1.2
136.07550	1.8
143.08527	1.1
143.09605	1.8
143.10669	26.3
143.11768	1.4
145.10109	1.4
147.11662	1.5
149.09564	1.3
151.11183	11.2
157.10052	1.8
166.08662	2.3
169.12241	100.0
173.12877	4.4
173.63211	1.1
184.01532	1.0
187.11658	1.9
187.13301	25.3
201.12401	3.4
244.79236	0.9
269.19150	1.6
276.23236	2.0
287.20071	15.2
294.24243	2.9
312.25235	3.0
328.48944	1.0
330.26468	8.5
348.27823	13.1
366.28214	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08923	0.3
53.03952	1.3
55.01867	0.8
55.05516	9.3
56.05046	0.9
56.96570	0.6
57.03435	0.5
57.05821	0.9
59.04998	0.6
60.04528	0.7
61.02935	0.7
62.06092	3.9
64.69115	0.3
69.03433	3.2
69.07062	0.4
70.06593	0.9
71.04993	0.9
71.50694	0.3
71.51025	0.4
72.08161	100.0
73.02892	0.5
73.08499	0.4
74.06091	0.7
74.09721	4.6
81.03441	2.0
81.07063	0.7
83.01332	0.3
84.04501	0.8
84.08166	0.7
85.02911	4.5
86.09747	0.4
87.04503	0.4
88.04005	0.8
95.08624	0.5
97.02905	3.2
97.06547	0.7
98.97585	1.1
99.02724	0.4
99.04465	1.3
109.02881	2.6
109.06544	0.4
110.07208	0.6
111.04454	0.4
113.06020	0.3
114.09200	0.7
116.07117	0.9
118.08664	5.6
120.08143	1.3
125.06013	0.4
126.03739	0.5
127.03921	4.8
130.06540	0.8
131.02039	0.4
136.07613	0.6
140.05304	0.9
143.07080	1.1
143.08177	0.3
145.02867	0.3
145.05060	1.0
147.04416	0.5
148.07617	0.4
154.05055	0.4
157.05655	0.8
158.06041	0.4
158.99756	0.4
167.07137	0.4
169.08655	0.8
173.04468	0.5
174.05550	0.6
176.07115	1.1
177.05534	0.9
186.05844	3.7
187.09737	0.8
204.06845	4.3
216.12457	1.3
219.01825	0.4
226.10907	1.3
234.13399	1.5
235.07539	0.4
237.02864	0.6
244.11853	9.6
244.14249	0.6
262.12878	6.8
279.13736	0.4
280.14075	1.7
348.11053	0.6
349.14227	0.3
366.05908	0.4
366.12155	1.5
366.17731	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	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20813	0.9
53.03942	3.5
55.01876	7.4
55.05506	3.5
56.36629	0.8
57.03452	4.9
57.53326	0.9
61.02925	4.9
68.99773	2.5
69.03431	34.1
69.38294	2.3
69.38707	4.4
71.01344	0.8
71.04996	5.3
73.02920	7.0
73.50787	0.8
77.73999	0.8
81.03419	22.7
81.07037	1.2
83.04976	0.9
83.08633	1.3
85.02906	100.0
87.00832	40.4
91.03940	2.0
91.05485	1.3
93.07030	1.9
95.08603	1.1
97.02892	30.6
98.21538	1.7
99.04462	12.5
101.02319	1.1
103.03981	1.1
105.01870	68.5
105.07018	1.2
107.08613	1.4
108.04472	2.8
109.02885	28.0
109.10196	0.8
111.08109	1.6
115.03933	1.4
117.01824	1.8
126.05515	1.7
127.03921	70.3
129.01814	2.9
136.06192	16.1
141.09126	1.2
145.04965	37.1
145.10027	0.9
147.02896	2.6
151.07556	1.6
159.02901	13.9
167.10741	1.0
177.03973	1.3
189.03955	3.7
191.10796	1.5
209.11731	3.5
213.03899	1.8
213.68164	0.9
230.06616	1.2
231.05009	22.0
248.07428	1.0
249.06084	7.3
268.35416	0.9
269.13840	1.5
295.11847	5.5
313.12869	2.3
348.20102	1.8
366.21652	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	366.0366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56228	1.4
66.63392	1.0
69.82429	6.6
98.21130	4.0
98.97597	3.2
106.36269	1.2
111.67516	1.2
116.98676	2.3
149.30040	1.4
177.00960	3.7
182.99838	1.5
216.98975	5.9
219.02061	7.6
222.97873	2.2
235.00066	7.7
240.98967	9.8
259.00006	35.3
260.00012	1.4
261.03043	10.4
264.99045	4.6
274.97507	1.7
277.01047	14.8
282.99985	82.1
283.99966	2.1
286.57822	1.3
301.01050	100.0
302.01324	1.5
319.01987	2.9
324.02841	1.9
325.01007	12.0
343.02121	68.1
344.02383	1.7
361.03223	15.0
366.03732	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
54.84467	0.3
55.01852	1.2
55.05505	0.8
57.03443	3.6
59.04987	0.5
60.04533	6.0
61.02929	2.6
67.05485	1.0
69.03083	0.6
69.03432	9.3
69.10231	0.4
70.06584	0.8
71.01340	1.5
71.05000	3.4
73.02915	1.2
79.05483	1.1
81.03421	2.1
81.07042	1.6
83.08611	0.4
85.02880	0.7
85.06548	0.6
91.05470	1.2
93.07038	1.3
95.04995	0.5
95.08603	0.9
97.02866	0.5
99.04449	2.9
105.06993	0.5
106.06547	2.4
107.08588	0.9
110.07193	0.4
111.08054	0.5
116.04970	2.3
117.05498	0.8
118.05283	2.1
120.08107	1.6
121.10165	0.5
124.07615	0.5
127.03876	0.6
131.06056	1.6
132.06859	0.5
133.07616	8.9
133.10130	0.7
134.06012	0.6
136.07587	0.7
143.06096	1.7
143.07008	0.4
144.06837	0.5
145.07616	13.4
146.08374	0.7
147.09143	1.3
157.07568	1.4
158.04800	0.8
158.08360	0.4
159.09149	1.0
161.07123	2.0
163.08681	14.6
169.12231	2.5
170.08319	0.6
171.05534	1.0
171.09178	1.4
173.07108	1.4
173.10680	0.6
175.08687	3.7
176.09494	1.0
177.06618	2.5
177.10239	0.5
177.29729	0.4
183.09204	1.3
184.09898	0.4
185.10725	1.0
188.09421	0.5
189.06604	7.6
191.08189	0.6
197.06372	0.4
200.09436	1.5
201.10255	2.3
202.10959	0.5
203.08147	0.6
203.11809	0.8
205.09717	0.8
205.36345	0.4
207.07664	100.0
208.07988	0.7
210.66222	0.4
211.08662	0.4
213.10318	0.9
214.06155	1.8
215.08188	1.2
215.11830	0.7
217.09726	1.0
217.13548	0.5
229.09752	1.3
230.10712	0.4
231.11343	1.2
232.07167	12.7
235.10876	0.4
241.09653	0.8
247.10748	0.4
249.12393	1.2
261.08765	0.8
261.12372	1.2
263.08554	0.5
269.09189	0.8
275.10239	0.9
279.13400	7.1
287.10327	0.7
300.10629	0.4
305.11420	3.0
312.25238	0.6
323.12387	47.5
324.12396	0.4
330.26382	1.3
334.10916	0.5
348.11887	5.4
348.27457	2.7
366.12976	81.9
366.28403	5.4
367.13251	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.4
55.05506	9.7
67.05500	11.7
69.03430	28.6
69.07063	5.4
69.21295	49.5
71.04990	9.8
73.02890	5.8
76.15967	4.6
79.05509	22.4
81.03409	15.0
81.07057	37.1
83.04986	10.4
83.08604	6.5
85.02892	8.6
91.05463	28.5
93.07051	36.9
95.04977	15.1
95.08617	18.2
97.06528	7.8
98.21503	12.1
105.07040	43.0
107.04964	13.1
107.08591	32.3
109.06544	36.2
109.10144	8.9
117.07053	8.5
119.08579	28.5
121.06548	7.2
121.10149	17.2
123.08035	7.5
123.11730	4.8
124.07568	13.0
125.06094	4.4
129.06973	9.4
131.08534	23.6
133.10123	18.2
135.08060	17.0
135.11693	16.4
136.06194	100.0
137.04594	6.8
137.06674	24.4
142.07716	4.4
143.08530	17.9
145.10155	30.6
147.11682	15.0
149.09590	8.7
155.08580	11.3
157.10103	18.4
159.08076	5.1
159.11682	18.9
161.09631	18.5
163.11183	11.7
167.07040	9.4
169.10100	8.4
171.11667	16.8
173.13266	10.4
175.11140	8.6
181.10056	7.1
183.11693	12.7
187.11194	8.8
189.12730	6.0
197.13213	13.9
201.12791	6.3
203.07045	5.7
210.99054	5.1
215.14368	6.5
229.07343	5.3
239.18243	6.1
244.09682	6.0
255.17445	81.0
257.19016	6.3
261.14841	9.9
265.94345	4.9
273.18475	30.6
280.64432	5.0
281.18903	9.5
283.20547	12.6
285.18524	41.5
286.19800	4.9
287.13889	8.6
299.20102	54.6
303.13019	4.5
303.19531	70.9
311.20117	8.7
315.13379	28.3
325.33972	5.1
329.21057	21.8
347.22220	25.8
365.11877	11.2
365.16214	6.5
365.20007	48.7
365.24048	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.4
55.05506	9.7
67.05500	11.7
69.03430	28.6
69.07063	5.4
69.21295	49.5
71.04990	9.8
73.02890	5.8
76.15967	4.6
79.05509	22.4
81.03409	15.0
81.07057	37.1
83.04986	10.4
83.08604	6.5
85.02892	8.6
91.05463	28.5
93.07051	36.9
95.04977	15.1
95.08617	18.2
97.06528	7.8
98.21503	12.1
105.07040	43.0
107.04964	13.1
107.08591	32.3
109.06544	36.2
109.10144	8.9
117.07053	8.5
119.08579	28.5
121.06548	7.2
121.10149	17.2
123.08035	7.5
123.11730	4.8
124.07568	13.0
125.06094	4.4
129.06973	9.4
131.08534	23.6
133.10123	18.2
135.08060	17.0
135.11693	16.4
136.06194	100.0
137.04594	6.8
137.06674	24.4
142.07716	4.4
143.08530	17.9
145.10155	30.6
147.11682	15.0
149.09590	8.7
155.08580	11.3
157.10103	18.4
159.08076	5.1
159.11682	18.9
161.09631	18.5
163.11183	11.7
167.07040	9.4
169.10100	8.4
171.11667	16.8
173.13266	10.4
175.11140	8.6
181.10056	7.1
183.11693	12.7
187.11194	8.8
189.12730	6.0
197.13213	13.9
201.12791	6.3
203.07045	5.7
210.99054	5.1
215.14368	6.5
229.07343	5.3
239.18243	6.1
244.09682	6.0
255.17445	81.0
257.19016	6.3
261.14841	9.9
265.94345	4.9
273.18475	30.6
280.64432	5.0
281.18903	9.5
283.20547	12.6
285.18524	41.5
286.19800	4.9
287.13889	8.6
299.20102	54.6
303.13019	4.5
303.19531	70.9
311.20117	8.7
315.13379	28.3
325.33972	5.1
329.21057	21.8
347.22220	25.8
365.11877	11.2
365.16214	6.5
365.20007	48.7
365.24048	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	365.2324
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03939	5.6
55.01889	10.4
55.05518	24.8
57.03446	9.1
57.07069	8.0
59.04990	3.4
61.02905	2.3
65.03941	3.7
67.05511	34.4
69.03435	34.7
69.07076	35.9
69.29682	18.0
70.83617	1.6
71.01353	2.7
71.04987	5.5
73.02900	2.3
79.05502	24.5
81.03423	53.4
81.07065	74.1
83.04994	13.2
83.08628	20.2
85.02906	14.6
85.06543	6.2
87.04505	2.1
88.29931	2.2
91.05483	24.1
93.07050	42.1
95.04978	22.0
95.08615	96.7
97.02900	20.6
97.06520	9.3
97.10184	17.6
99.04457	7.7
99.08095	4.0
100.48021	1.9
103.03950	2.5
103.05460	1.9
105.06381	3.7
105.07037	39.9
107.04967	6.7
107.08601	56.6
109.02886	19.9
109.06523	10.0
109.10165	56.8
111.04459	13.7
111.08098	6.0
111.11701	4.6
113.06033	3.1
113.09667	3.9
115.03939	6.5
115.05435	2.4
117.07008	9.1
119.08591	59.2
121.06509	10.4
121.10149	45.3
123.04433	13.5
123.08080	6.3
123.11720	27.6
125.06016	2.5
125.09660	6.2
127.03931	6.9
129.05490	15.1
129.06992	7.9
131.08592	19.6
133.06502	4.6
133.10136	36.0
135.08104	11.0
135.11710	19.4
137.05992	9.1
137.09636	6.1
137.13289	4.8
139.07530	3.5
139.11203	6.4
141.06960	3.7
142.07799	5.5
143.07034	2.5
143.08585	12.4
143.16205	1.9
145.06494	3.8
145.10132	31.6
147.08046	8.2
147.11705	29.2
149.05974	2.5
149.09602	9.1
149.13263	9.9
151.07564	2.4
151.11220	3.8
155.08577	4.8
156.09361	3.2
157.10126	20.0
159.08086	5.7
159.11707	37.7
161.09642	8.5
161.13266	12.7
163.07578	2.7
163.11217	12.5
163.14828	5.2
165.09174	4.6
165.12802	4.0
169.10153	5.9
171.07980	2.6
171.11708	12.7
173.09641	8.6
173.13278	13.5
175.07481	2.8
175.11227	9.3
175.14832	6.4
177.09143	5.1
177.12714	4.1
177.16457	5.5
179.10661	2.2
183.11687	6.6
185.09604	3.1
185.13278	6.5
187.11183	5.0
187.14894	5.0
189.12791	6.6
189.16409	7.7
191.10762	5.6
191.14308	4.7
191.18015	5.1
195.11789	4.3
197.13329	4.6
199.11334	3.6
199.14832	6.4
201.12828	3.7
201.16342	13.0
203.10742	2.0
203.14400	3.7
203.18002	10.7
205.12277	2.2
205.15959	2.8
207.11757	2.4
209.11700	2.5
209.13446	2.7
211.14870	3.8
213.12787	6.5
213.16429	6.3
215.10733	2.0
215.14383	2.1
215.18071	5.8
217.12204	3.3
217.15855	4.2
217.19560	2.8
219.10089	3.1
219.17479	13.5
219.19275	2.5
221.19003	2.6
227.17975	7.0
229.15912	2.2
229.19531	2.2
231.17409	5.8
233.19011	7.3
235.13388	2.5
237.18492	7.3
239.18086	3.0
241.19566	2.4
243.17432	5.4
245.19017	8.7
255.17470	2.9
257.19049	4.7
259.20386	2.0
261.18558	6.9
263.20084	5.6
269.19131	3.9
273.18524	3.0
275.20139	7.1
283.20590	4.5
287.20132	5.9
293.19052	4.3
299.20297	2.6
301.21698	7.3
305.21060	2.8
311.20084	16.3
317.21021	4.7
329.17480	3.9
329.21146	42.4
329.25058	2.1
347.22171	65.9
357.05237	2.4
365.15927	5.7
365.23279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31386	2.1
53.03946	9.1
55.01872	5.0
55.05516	41.5
56.96564	4.0
57.03451	11.7
57.07066	2.3
59.05006	2.9
63.77680	2.2
65.03941	4.0
67.05170	4.4
67.05512	52.6
69.03430	6.5
69.07079	21.3
69.21607	19.5
69.22019	5.5
71.04994	3.6
71.43913	2.3
77.03940	3.6
79.05501	62.0
81.03423	3.4
81.07072	60.7
83.04983	8.7
83.08610	12.8
91.05492	100.0
93.07050	59.8
95.04958	8.1
95.08058	3.8
95.08620	40.5
97.02798	2.4
97.06536	7.1
97.10206	7.8
98.97546	2.6
99.08079	3.5
101.06046	2.9
103.05473	2.8
105.07048	73.7
107.04955	7.2
107.08601	29.1
109.06536	10.9
109.10165	6.8
111.08089	6.6
115.05467	10.0
116.06234	6.3
117.07034	44.4
119.08601	41.8
121.06500	10.6
121.10152	14.0
123.08041	11.1
125.09656	7.6
128.06244	20.3
129.07013	26.0
130.07793	10.7
131.08583	97.2
133.06517	9.8
133.10129	22.7
135.08078	6.8
135.11734	5.4
137.09621	4.5
139.11198	6.9
141.07018	9.8
142.07813	9.4
143.08568	95.8
145.06516	3.3
145.10143	92.1
147.08087	15.5
147.11691	9.7
149.09651	8.5
151.07561	2.8
155.08597	9.9
157.10153	25.6
159.08040	4.6
159.11717	19.9
161.09653	21.4
161.13177	4.0
163.11226	6.6
167.08539	5.9
169.10126	16.9
171.08115	2.5
171.11737	21.8
171.66577	2.4
173.09720	4.2
173.13283	5.0
175.11174	7.5
177.12791	6.9
180.09468	2.3
181.10141	9.7
183.11710	12.7
185.13260	6.7
187.11069	3.8
189.12814	3.3
195.11720	22.6
197.13214	3.0
199.11322	4.1
199.14888	3.0
201.12775	3.3
203.12735	3.5
209.13240	5.5
211.14856	4.9
213.12744	4.9
227.17987	9.2
237.16391	20.8
245.19138	7.2
255.17477	22.3
263.09412	2.8
269.12360	2.9
273.18521	56.6
347.18231	4.2
347.22214	46.5
365.23245	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	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31386	2.1
53.03946	9.1
55.01872	5.0
55.05516	41.5
56.96564	4.0
57.03451	11.7
57.07066	2.3
59.05006	2.9
63.77680	2.2
65.03941	4.0
67.05170	4.4
67.05512	52.6
69.03430	6.5
69.07079	21.3
69.21607	19.5
69.22019	5.5
71.04994	3.6
71.43913	2.3
77.03940	3.6
79.05501	62.0
81.03423	3.4
81.07072	60.7
83.04983	8.7
83.08610	12.8
91.05492	100.0
93.07050	59.8
95.04958	8.1
95.08058	3.8
95.08620	40.5
97.02798	2.4
97.06536	7.1
97.10206	7.8
98.97546	2.6
99.08079	3.5
101.06046	2.9
103.05473	2.8
105.07048	73.7
107.04955	7.2
107.08601	29.1
109.06536	10.9
109.10165	6.8
111.08089	6.6
115.05467	10.0
116.06234	6.3
117.07034	44.4
119.08601	41.8
121.06500	10.6
121.10152	14.0
123.08041	11.1
125.09656	7.6
128.06244	20.3
129.07013	26.0
130.07793	10.7
131.08583	97.2
133.06517	9.8
133.10129	22.7
135.08078	6.8
135.11734	5.4
137.09621	4.5
139.11198	6.9
141.07018	9.8
142.07813	9.4
143.08568	95.8
145.06516	3.3
145.10143	92.1
147.08087	15.5
147.11691	9.7
149.09651	8.5
151.07561	2.8
155.08597	9.9
157.10153	25.6
159.08040	4.6
159.11717	19.9
161.09653	21.4
161.13177	4.0
163.11226	6.6
167.08539	5.9
169.10126	16.9
171.08115	2.5
171.11737	21.8
171.66577	2.4
173.09720	4.2
173.13283	5.0
175.11174	7.5
177.12791	6.9
180.09468	2.3
181.10141	9.7
183.11710	12.7
185.13260	6.7
187.11069	3.8
189.12814	3.3
195.11720	22.6
197.13214	3.0
199.11322	4.1
199.14888	3.0
201.12775	3.3
203.12735	3.5
209.13240	5.5
211.14856	4.9
213.12744	4.9
227.17987	9.2
237.16391	20.8
245.19138	7.2
255.17477	22.3
263.09412	2.8
269.12360	2.9
273.18521	56.6
347.18231	4.2
347.22214	46.5
365.23245	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19093	3.9
53.03943	11.2
55.01876	16.4
55.05511	37.5
57.03446	23.9
59.05003	13.0
65.03932	5.8
67.05508	88.5
69.03436	6.8
69.07070	28.0
71.04988	11.3
79.05497	76.2
81.03429	9.6
81.07056	100.0
83.04990	23.7
83.08613	14.8
85.06554	8.8
91.05482	95.9
93.07050	61.9
95.04975	20.2
95.08617	38.5
97.06540	9.3
97.10165	5.1
99.04494	6.3
103.05482	5.1
105.07030	73.7
107.04950	25.3
107.08598	51.1
109.06501	12.8
109.10162	57.0
111.08085	12.3
117.07024	16.2
119.08592	27.4
121.06509	17.1
121.10165	14.3
123.08082	10.4
123.11724	14.2
129.07013	13.1
131.08574	28.2
133.06491	16.8
133.10129	97.6
135.08075	21.1
135.11679	9.0
137.09628	5.8
139.07535	4.4
143.08612	7.2
145.10115	13.8
147.08084	11.1
147.11716	8.4
147.73433	3.6
149.09647	21.8
151.11192	56.5
156.38451	4.9
157.10146	7.1
159.08070	7.0
159.11650	9.3
161.09636	12.2
161.13229	5.1
163.11218	5.2
169.12213	9.3
171.11670	10.4
173.09689	4.3
173.66679	3.5
173.96861	3.9
175.11282	4.3
177.05487	6.3
177.09100	12.9
179.10713	6.8
185.13182	4.0
185.16817	3.7
217.17448	4.1
245.19032	6.5
253.14330	75.7
263.20026	14.8
269.13879	9.4
273.18530	47.1
291.19623	39.6
347.22260	8.8
365.23254	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
54.37335	1.1
55.01868	6.4
55.05265	2.0
55.05515	25.9
57.03443	10.8
59.04995	1.4
59.99978	1.1
67.05173	2.2
67.05509	32.6
67.52692	1.0
69.03445	9.4
69.07070	35.7
71.04996	1.8
79.05495	32.6
79.24631	1.2
81.03425	6.9
81.07058	23.3
83.04990	5.5
83.08611	8.9
85.06538	1.7
91.05487	16.0
91.84959	1.1
93.07040	18.0
95.03365	1.2
95.04983	9.5
95.08604	10.4
97.02902	15.1
97.06542	3.2
97.10185	16.4
105.07043	12.3
105.27155	1.1
107.04982	6.2
107.08601	15.4
109.06542	2.1
109.10146	8.6
111.08112	1.7
117.07014	7.0
119.08606	11.6
119.87286	1.3
121.06532	3.2
121.10146	4.6
123.08103	2.3
125.09628	16.8
125.10445	1.8
128.06171	1.6
129.07034	2.9
130.24164	1.2
131.08519	6.7
133.06512	2.7
133.10165	6.2
135.08020	5.7
135.11719	3.0
137.09624	2.4
143.08609	2.7
145.10103	5.9
147.08076	5.0
147.11700	3.4
149.09671	1.8
149.13255	1.9
153.09114	1.5
154.04596	1.2
157.10176	3.1
159.08138	1.2
159.11716	3.2
161.09671	2.6
163.11166	1.6
164.09599	1.2
171.11700	2.0
172.97926	1.3
173.13290	1.6
175.11241	2.8
189.11234	8.8
195.13855	1.6
205.12201	2.0
223.13307	37.3
227.12877	2.7
233.10217	1.5
245.18962	2.0
249.14893	1.3
263.20041	2.0
273.18503	13.4
291.19550	100.0
347.22418	1.6
365.23322	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01872	5.7
55.05510	31.1
57.03435	9.4
59.04982	1.8
61.79129	1.0
65.03959	1.5
67.05501	31.2
69.03423	12.4
69.07067	38.4
71.05009	2.1
79.05493	28.1
81.03419	7.4
81.07056	24.4
83.04987	5.5
83.08619	9.6
91.05482	16.5
93.07042	20.0
95.04951	6.3
95.08604	14.6
97.02884	16.1
97.06540	3.5
97.10172	16.4
98.20705	2.2
105.07030	12.9
107.04958	6.9
107.08586	15.9
109.06499	3.4
109.10159	10.2
110.78751	1.0
111.08073	3.7
111.25492	1.0
115.05489	1.5
117.07000	8.7
119.04928	0.9
119.08573	12.6
121.06503	4.2
121.10143	7.0
123.08056	3.9
125.09624	13.5
129.06989	3.3
131.08563	8.0
133.06499	2.0
133.10132	4.4
133.63699	1.0
135.08052	4.1
135.11676	3.3
137.09631	4.5
143.08551	3.9
145.06497	1.4
145.10048	5.0
147.08034	5.6
147.11682	2.9
149.09581	1.3
149.13283	1.9
153.09052	1.4
157.10127	3.1
159.08061	1.4
159.11703	3.2
161.09636	3.6
161.13258	1.4
162.10332	1.0
165.09125	2.6
169.10094	1.3
171.10255	1.3
171.11714	2.1
175.11157	2.5
177.12743	1.5
183.11673	1.1
185.13274	2.1
187.11156	0.9
189.11221	6.3
198.95612	1.0
205.12283	3.3
223.13284	30.5
227.12823	1.9
229.22441	1.1
245.19048	2.8
249.15067	1.3
255.17462	1.2
263.07169	1.1
263.20212	1.7
273.18469	13.5
291.19534	100.0
319.62094	1.2
322.47714	1.0
348.20486	1.2
365.18185	1.7
365.23270	56.9
372.13742	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.4
55.01876	8.2
55.05515	1.5
57.03433	1.6
57.76198	0.3
58.05992	0.3
59.04985	0.6
61.69825	0.3
65.03934	0.5
67.05511	5.1
69.03436	19.2
69.07069	0.6
70.90701	0.3
71.01354	0.6
71.04995	3.1
71.25909	0.7
73.02505	0.5
73.02921	7.5
79.05498	3.7
81.03425	22.8
81.07065	20.2
83.01359	2.3
83.04990	5.7
85.02914	3.5
91.05483	1.3
93.07072	1.7
95.04977	18.1
95.08622	1.4
96.26075	0.3
97.02899	21.7
97.06533	1.7
99.00836	1.0
99.04456	6.1
101.02388	18.6
105.07056	1.5
107.08626	0.9
109.02888	46.9
109.06528	23.1
109.10184	1.1
110.03203	0.4
111.08096	0.4
115.03906	0.6
119.04974	0.8
119.08585	1.7
121.06508	0.6
121.10147	3.8
123.04417	2.9
123.08094	1.5
123.11674	0.5
127.03927	36.2
131.08635	0.5
133.10132	1.9
135.04445	0.5
135.08093	0.6
136.06219	0.5
137.05984	8.6
137.09642	1.8
139.11197	9.8
141.05486	5.3
143.03384	3.1
145.04994	2.0
145.10146	0.9
147.04428	2.1
147.11667	1.0
149.02356	1.3
151.07523	0.5
151.11205	0.6
152.07040	1.3
157.10164	0.6
159.11713	0.6
161.09676	1.0
162.05513	1.3
165.05484	100.0
166.05797	0.5
175.07413	0.4
175.11195	1.2
179.10687	1.2
181.05028	0.4
183.06561	2.7
185.45053	0.3
188.30151	0.3
190.05136	0.4
193.12239	1.2
194.08147	2.2
203.07001	1.0
203.10727	0.4
208.06024	0.7
209.04434	0.9
212.09129	2.0
221.11736	25.6
227.05527	3.9
239.12758	6.1
247.13315	1.4
281.13840	1.2
301.14447	0.4
303.19492	0.5
329.13837	0.7
329.17545	0.5
329.21078	0.8
347.15027	5.0
347.22147	0.6
365.10278	1.2
365.15829	3.2
365.23453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29202	0.7
60.73238	0.9
67.05493	1.5
69.03425	1.3
69.07048	1.1
71.10046	1.8
81.03437	1.0
81.07067	2.1
85.02919	1.0
85.06522	1.2
88.63766	0.8
91.05463	1.0
93.07041	1.8
94.06499	0.9
97.06460	1.1
97.91687	0.8
101.99041	0.8
105.07022	1.6
107.08594	1.8
119.08654	0.8
122.06041	2.4
124.03955	1.0
127.03876	1.1
127.76841	0.8
133.32399	0.7
136.06213	1.5
138.05482	2.1
140.07042	1.2
146.09653	1.0
147.08049	1.1
148.03867	1.8
148.07564	3.7
149.02399	1.7
166.05017	3.3
168.06555	1.5
171.09221	1.7
172.07570	2.2
174.09204	2.5
175.08665	3.9
176.07066	7.4
182.08211	1.2
189.10289	2.3
196.07648	1.5
199.08690	5.9
200.07080	3.8
202.08643	2.9
203.08195	16.7
203.10210	1.5
204.06587	1.1
213.10229	3.8
214.08720	1.5
217.09773	12.4
219.11328	1.5
227.08147	10.8
228.06528	2.5
228.08899	1.3
229.09779	1.9
230.08047	0.9
231.07690	1.3
231.11339	1.5
232.06183	1.0
235.10779	4.1
241.09760	6.5
242.08122	3.9
245.09248	38.2
246.07625	1.5
247.10793	1.5
259.10800	10.8
263.07428	1.2
263.10257	23.4
269.09180	2.8
273.08759	2.9
287.10281	15.4
289.11838	1.7
291.09766	6.0
305.11322	65.1
315.09872	2.7
323.12384	17.4
333.10803	13.5
347.12140	1.8
365.13422	100.0
366.14008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89070	0.6
55.01873	1.4
55.05508	1.9
57.07309	0.5
66.75219	0.5
67.05502	1.8
67.73361	0.5
69.03429	2.4
69.07062	0.8
70.06591	0.6
71.05022	0.7
71.55140	0.7
72.08154	1.3
79.05466	1.3
81.03416	1.2
81.07052	2.6
83.04966	1.0
85.02899	1.7
85.06541	2.0
91.05483	1.8
93.07018	2.1
94.06574	0.7
95.04984	1.4
95.08601	1.7
97.06525	0.8
105.03413	0.6
105.07017	2.1
107.04961	1.0
107.08607	1.9
109.02856	1.0
109.10146	0.8
111.08135	0.8
119.08579	1.1
120.04487	0.9
121.10172	0.6
122.06046	2.0
124.03972	0.7
127.03901	1.4
131.08597	0.9
133.10164	0.9
135.04384	0.9
136.06204	1.5
136.07597	1.2
138.05501	2.1
140.07066	1.4
145.02815	0.8
147.11667	1.0
148.03926	1.6
148.07590	3.5
149.02380	2.0
150.05499	1.1
157.06461	0.8
157.07663	1.0
158.06096	0.7
160.07594	0.7
163.03889	1.9
164.07091	1.0
166.05035	4.7
167.07062	1.0
167.10750	0.7
168.06631	1.6
168.10997	1.6
171.09276	1.2
172.07567	2.3
174.09163	2.6
175.08702	3.8
176.07094	7.1
176.09390	0.7
178.08655	1.1
185.10692	1.0
185.15321	1.3
186.05598	1.1
186.09233	0.8
189.06848	0.7
189.10237	3.0
190.08676	1.7
194.04556	0.7
196.07622	1.3
198.07738	1.7
199.08720	5.9
200.07068	3.9
201.10278	0.8
202.07114	0.7
202.08784	1.9
203.08208	16.1
204.06627	1.3
207.11256	0.7
213.06522	1.0
213.10217	4.3
214.08687	2.3
215.11884	0.8
215.46953	0.7
216.10201	1.8
217.06363	0.7
217.09785	12.8
218.08209	1.2
223.08711	0.8
224.07121	1.8
226.08833	0.7
227.08183	11.6
228.06535	2.2
228.08734	1.1
229.09819	2.3
231.07733	1.1
231.11406	1.1
235.10788	3.6
240.12486	0.8
241.09724	8.0
242.08188	4.0
243.11261	1.1
244.09700	5.9
245.09251	37.2
246.07632	1.9
247.10744	1.5
250.07005	0.8
259.10834	9.0
260.09204	0.9
263.10294	21.3
269.09210	3.0
270.07684	1.0
273.08713	3.0
273.11603	0.6
277.11908	1.3
287.10281	15.5
289.11850	1.4
291.09735	6.0
297.08725	1.0
305.11328	68.9
306.11578	1.1
315.10052	3.0
323.12424	19.4
333.10818	14.7
333.14334	1.4
347.12225	1.5
365.13458	100.0
366.13815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60406	0.7
56.96560	1.1
57.03471	0.7
69.03429	1.2
69.96590	1.9
69.96984	1.1
70.12171	0.8
73.02915	0.7
78.60455	0.6
85.02909	1.7
98.21539	0.7
98.97592	4.3
101.00887	3.6
110.97575	1.8
116.98656	1.6
117.48714	1.0
119.01959	3.0
124.95504	0.9
128.98634	1.4
131.01921	1.4
133.59691	0.7
142.96606	0.9
143.01961	2.4
144.98103	0.7
145.03513	1.2
146.99701	1.4
155.01970	3.2
161.03021	2.6
167.02020	1.6
170.96051	1.2
173.03023	2.9
174.99220	1.2
176.44165	0.8
184.97661	1.2
185.02937	3.3
185.04298	19.4
188.97128	2.0
189.00682	1.8
196.44067	0.8
197.02950	1.7
202.98737	1.1
203.05304	42.0
212.97287	0.8
214.98898	0.8
215.04120	1.2
219.01891	0.9
223.13875	0.7
227.04114	0.9
230.98204	2.6
235.01222	0.8
244.99832	1.2
245.05135	11.4
248.32338	0.7
257.05011	0.9
263.00897	1.5
263.06268	2.2
275.06128	1.5
365.10684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56064	0.7
60.49152	0.8
69.82573	3.0
102.64111	0.7
143.01933	0.9
173.03018	1.4
173.87193	0.9
185.04236	17.5
203.05290	44.8
220.04643	0.8
238.52019	0.9
245.05183	2.5
365.10843	100.0
373.58264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15240	1.0
56.96564	14.4
69.98450	2.8
69.98830	2.4
84.38226	1.1
85.02901	3.4
86.97651	1.1
93.89851	1.2
97.02888	2.0
98.20776	1.3
98.96938	2.4
98.97588	48.0
110.97581	1.9
116.98630	8.6
124.99122	41.6
125.87008	1.3
130.06514	3.9
141.02238	2.2
143.00169	93.2
150.00121	1.2
157.07590	1.3
158.99658	14.7
159.03331	6.0
161.01230	63.7
170.99655	1.4
177.00722	5.0
177.04239	3.0
177.05737	1.3
179.02296	9.0
185.01222	60.0
185.02881	3.2
189.04114	1.1
201.04317	4.1
203.02283	100.0
215.02290	2.9
219.01778	3.9
221.03310	16.1
225.90166	1.1
226.03865	2.5
233.03302	5.2
245.03337	44.6
263.04382	27.2
305.05444	13.6
323.06519	27.7
336.70773	1.3
341.07602	7.2
365.07214	15.2
365.10974	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	364.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.2
55.05516	0.8
55.58355	0.2
57.03438	0.5
67.05501	0.7
69.03440	0.3
69.07065	0.6
69.69348	0.5
69.69756	0.8
74.20177	0.2
79.05485	1.0
81.03416	3.9
81.07040	1.0
83.04987	0.5
83.08610	0.9
85.02873	0.5
85.06512	0.2
93.07046	0.7
93.59290	0.2
94.04053	0.5
95.04977	1.2
95.08615	0.4
96.18796	0.2
97.06524	0.3
98.20754	0.4
102.92171	0.2
105.07051	1.1
106.27980	0.2
107.04941	0.4
107.08538	0.2
109.74688	0.2
111.08080	0.5
116.81489	0.2
119.03558	1.6
119.08595	0.6
121.10164	0.4
129.06979	0.6
131.08614	0.5
133.10124	0.4
136.06190	100.0
137.04591	0.6
145.10330	0.2
147.11690	0.7
149.09688	0.2
151.03990	0.3
152.05688	0.3
154.07307	0.3
157.10146	0.5
161.09650	0.2
165.12683	0.2
173.13283	0.3
174.07745	1.4
175.11223	0.8
193.12253	1.9
199.08667	0.2
211.13271	2.1
310.16583	0.6
328.17792	0.6
346.18710	2.1
347.22449	0.3
364.19797	40.6
365.19952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52612	3.3
53.03941	3.9
55.05516	28.5
57.03424	4.9
57.07074	15.2
58.06603	4.2
58.33237	3.5
58.57520	3.8
67.05511	37.1
69.03420	6.2
69.06737	3.8
69.07079	57.8
69.81231	19.8
70.06637	4.9
71.05007	4.5
71.08627	8.4
79.05492	20.6
81.03412	15.2
81.07063	100.0
83.05002	5.9
83.08620	37.4
83.79481	3.9
85.06559	29.7
91.05474	13.8
93.07053	46.1
93.45392	4.1
95.04950	4.4
95.08617	79.6
97.06528	8.3
97.10174	17.3
98.20840	6.6
99.08104	10.4
105.07049	30.5
107.08615	46.0
109.02911	6.0
109.06511	8.7
109.10169	66.2
110.17618	3.7
110.94287	4.0
111.08077	16.8
111.11746	21.2
113.09653	5.4
117.07029	4.0
119.08575	25.4
119.99492	3.5
121.10131	29.7
123.04435	3.8
123.08098	7.5
123.11733	36.2
125.05988	4.5
125.09635	5.9
125.13277	15.6
129.06989	4.3
131.08572	9.2
133.10124	17.7
133.43933	3.8
135.08102	5.4
135.11700	21.9
137.13240	16.9
143.08556	5.8
145.10101	10.4
147.11696	10.9
149.13246	27.9
151.14828	8.9
157.10120	8.6
157.36594	3.6
159.07944	4.7
159.11697	10.3
161.09570	4.2
161.13272	18.6
163.14871	8.0
167.07043	14.8
169.10176	6.1
169.15877	7.8
170.07950	4.0
171.11685	3.7
173.09665	5.3
175.11122	4.4
175.14874	5.1
176.14189	4.4
177.16440	6.6
179.17914	3.7
181.15855	5.1
189.16429	4.6
191.17989	23.4
201.12788	4.9
203.55670	4.8
216.13864	8.6
217.19518	33.8
218.11720	5.1
223.20584	3.9
225.22154	16.0
233.22487	5.2
235.20586	36.3
237.96198	3.8
251.23886	5.0
253.21715	32.2
291.26773	16.3
363.22424	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	363.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
54.57695	0.6
55.05520	4.4
57.07069	2.5
59.04992	0.8
67.05510	4.4
69.07072	7.5
71.04983	1.1
71.08625	1.9
71.55305	0.8
79.05494	2.9
81.07063	8.6
83.04994	1.2
83.08618	3.0
85.06545	1.4
89.06023	2.2
91.05486	2.6
93.07043	5.1
95.08620	8.0
97.06528	2.7
97.10166	1.0
99.08127	0.9
105.07036	3.0
107.07981	0.7
107.08598	4.5
109.06528	10.2
109.10170	4.6
111.08071	1.7
119.08614	4.4
121.10152	3.3
123.08081	46.0
123.11705	1.9
125.09595	1.0
131.08586	1.4
133.10144	2.0
135.08066	2.9
135.11696	1.9
137.09628	2.3
145.10143	2.0
147.11682	1.4
149.09668	1.6
149.13300	2.4
151.09581	0.6
155.08418	0.7
159.11667	1.3
161.13258	1.6
165.12831	1.3
167.14301	1.5
172.61331	0.7
179.14333	28.1
193.15935	1.0
233.18884	1.1
243.17673	0.7
275.20041	0.8
285.80142	0.8
303.26651	0.8
307.22699	5.5
331.26312	3.7
336.06494	0.6
363.28970	100.0
364.29584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52612	3.3
53.03941	3.9
55.05516	28.5
57.03424	4.9
57.07074	15.2
58.06603	4.2
58.33237	3.5
58.57520	3.8
67.05511	37.1
69.03420	6.2
69.06737	3.8
69.07079	57.8
69.81231	19.8
70.06637	4.9
71.05007	4.5
71.08627	8.4
79.05492	20.6
81.03412	15.2
81.07063	100.0
83.05002	5.9
83.08620	37.4
83.79481	3.9
85.06559	29.7
91.05474	13.8
93.07053	46.1
93.45392	4.1
95.04950	4.4
95.08617	79.6
97.06528	8.3
97.10174	17.3
98.20840	6.6
99.08104	10.4
105.07049	30.5
107.08615	46.0
109.02911	6.0
109.06511	8.7
109.10169	66.2
110.17618	3.7
110.94287	4.0
111.08077	16.8
111.11746	21.2
113.09653	5.4
117.07029	4.0
119.08575	25.4
119.99492	3.5
121.10131	29.7
123.04435	3.8
123.08098	7.5
123.11733	36.2
125.05988	4.5
125.09635	5.9
125.13277	15.6
129.06989	4.3
131.08572	9.2
133.10124	17.7
133.43933	3.8
135.08102	5.4
135.11700	21.9
137.13240	16.9
143.08556	5.8
145.10101	10.4
147.11696	10.9
149.13246	27.9
151.14828	8.9
157.10120	8.6
157.36594	3.6
159.07944	4.7
159.11697	10.3
161.09570	4.2
161.13272	18.6
163.14871	8.0
167.07043	14.8
169.10176	6.1
169.15877	7.8
170.07950	4.0
171.11685	3.7
173.09665	5.3
175.11122	4.4
175.14874	5.1
176.14189	4.4
177.16440	6.6
179.17914	3.7
181.15855	5.1
189.16429	4.6
191.17989	23.4
201.12788	4.9
203.55670	4.8
216.13864	8.6
217.19518	33.8
218.11720	5.1
223.20584	3.9
225.22154	16.0
233.22487	5.2
235.20586	36.3
237.96198	3.8
251.23886	5.0
253.21715	32.2
291.26773	16.3
363.22424	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	363.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08633	0.4
55.05515	0.5
57.07076	4.4
59.05006	2.7
67.05505	0.5
69.07058	0.7
69.43173	3.3
71.08636	4.4
79.91284	0.4
87.30200	0.4
89.06028	3.5
90.51321	0.4
93.07042	0.6
95.08644	0.7
105.07004	0.5
107.08610	0.4
108.97913	0.4
109.10186	0.5
113.13223	0.5
117.09090	1.0
133.08604	1.4
133.10085	0.5
143.39027	0.4
155.22200	0.4
195.12257	2.0
243.11957	0.5
345.28018	0.6
363.28699	100.0
364.28967	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.2
56.97271	1.2
57.03417	1.7
61.02953	1.3
69.03432	18.8
69.69672	3.9
69.70072	2.7
71.05009	7.6
74.06104	1.3
81.03418	30.4
85.02909	58.6
97.02905	3.0
99.04462	26.1
103.03947	57.2
109.02894	21.6
116.08941	1.2
127.03925	100.0
128.14693	1.2
145.04977	15.0
147.04497	1.2
154.16873	1.2
168.47400	1.2
187.06018	9.7
214.66502	1.2
228.18828	1.4
253.07156	4.3
261.13434	1.7
271.08151	4.1
310.44757	1.2
339.93652	1.2
344.71814	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.1
53.29742	0.9
55.01868	1.3
55.05497	0.8
57.03426	2.1
57.07069	3.0
61.02929	1.9
67.05510	1.1
69.03082	1.2
69.03435	18.0
69.07075	1.1
69.87434	3.6
71.05000	6.8
81.03429	26.8
81.07038	2.2
82.95134	0.9
83.05000	1.6
85.02914	56.7
91.05447	1.1
93.07048	1.3
95.08617	1.2
97.02900	4.2
99.03838	1.7
99.04465	25.9
103.03952	52.8
105.06998	1.4
106.25532	0.8
109.02889	21.8
109.10134	1.4
111.45547	0.9
119.08574	1.6
120.08128	1.3
122.06042	1.4
127.03927	100.0
131.08638	1.1
138.05540	1.1
138.09138	1.0
145.04974	12.4
152.07057	2.8
160.52773	1.0
163.05998	1.0
167.07034	4.0
182.08124	5.8
183.10207	0.9
187.06032	6.6
194.08081	2.3
243.12326	0.9
253.07132	3.8
271.08154	3.0
323.10144	2.3
363.15231	1.7
374.51923	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1287
Annotation	Catalpol
Peak:m/z	Relative Intensity
53.03938	9.4
55.01866	5.7
55.05507	5.6
56.78221	2.4
56.96562	3.3
57.03438	15.9
57.88134	2.3
60.05651	3.0
61.02922	5.3
67.05487	5.7
69.03427	42.3
70.06608	3.0
71.04993	13.4
71.54358	2.8
73.02913	4.4
74.06064	2.5
75.04489	14.7
79.05489	3.4
81.03426	35.1
81.07042	7.8
83.04977	9.8
84.04472	2.9
85.02911	88.0
86.03541	8.3
87.04476	5.5
91.05485	3.1
95.04977	15.7
96.89216	2.2
97.02894	26.3
97.06515	3.7
98.97588	7.9
99.04463	100.0
103.03309	4.3
103.03950	70.0
105.03379	3.8
107.08589	2.4
109.02890	30.7
109.06499	5.1
111.04427	6.3
115.03928	7.8
123.04424	6.8
123.08058	2.8
124.07562	4.7
127.03927	86.5
127.07551	6.2
137.05952	7.9
141.05473	47.0
145.04970	26.0
150.97104	3.0
153.05489	10.2
154.72292	2.5
165.05554	5.7
165.09135	3.3
170.62190	3.0
174.96796	2.5
183.06522	28.2
183.10217	2.9
201.07588	24.0
214.34056	2.9
219.01566	3.9
219.08672	6.1
234.99045	4.3
237.02832	3.2
243.08606	34.9
256.09570	3.4
257.78714	2.7
267.82065	2.7
278.11139	4.7
293.05298	3.0
304.09332	5.6
327.10318	7.4
335.06387	3.4
345.10934	9.2
363.11923	10.8
363.16177	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15306	1.0
55.01861	1.8
55.05505	2.0
56.05043	1.2
57.03443	8.8
59.04989	1.8
61.02914	2.2
64.33482	1.0
65.03929	4.7
65.76778	0.9
67.05507	43.0
67.70887	0.9
69.03431	18.2
69.07052	1.7
69.71342	6.9
70.06580	2.5
71.04984	4.5
72.08153	3.8
73.02914	1.8
79.05474	1.4
81.03407	3.0
81.07062	1.7
83.04992	1.7
84.04510	13.1
84.08141	2.2
85.02907	18.8
85.04828	5.2
86.09697	3.9
87.04473	100.0
88.04803	1.1
91.03961	1.4
91.05477	1.9
95.04974	77.9
97.02893	7.6
97.06525	1.7
99.04442	2.8
101.06022	1.1
103.03969	2.4
104.04266	1.2
105.87923	1.0
107.04899	1.5
107.08585	1.1
109.02866	2.8
110.19396	1.1
111.04433	3.9
111.08089	1.2
113.06008	56.3
120.08044	1.5
121.06554	1.5
123.04438	2.6
123.08052	1.1
126.05472	1.3
127.03923	6.4
129.05527	1.6
135.08032	1.8
136.04315	1.5
137.06003	2.4
145.04996	8.3
153.05475	3.0
158.05362	1.6
163.06036	1.1
163.07532	1.2
163.11171	1.1
167.07066	1.6
171.06526	3.0
181.04996	1.1
183.06516	4.9
199.09724	2.0
199.11389	1.2
202.12521	1.1
207.08209	1.4
209.09926	1.2
213.07613	2.5
231.08684	2.3
235.07555	2.9
253.08521	3.1
315.13098	1.2
361.13367	17.2
362.12369	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	361.1493
Annotation	Semperoside
Peak:m/z	Relative Intensity
53.03932	2.9
55.01863	1.8
55.05519	6.7
66.75170	1.1
67.05506	1.9
69.03429	7.8
69.97495	4.3
72.08138	1.0
73.06174	1.7
73.06555	18.3
75.31854	0.9
75.77484	1.1
77.03951	1.2
79.05106	1.1
79.05491	8.3
81.03419	6.0
81.07050	2.6
84.04508	1.6
85.02897	7.3
86.09705	1.5
89.42581	1.0
91.05462	4.4
93.06486	1.1
93.07045	15.2
95.04990	2.2
95.08636	1.1
97.02885	3.1
99.04465	2.4
101.06023	17.0
103.03947	3.6
103.52085	1.1
109.02872	3.2
111.08025	2.1
115.07578	1.2
121.06518	20.7
123.04446	1.2
123.08049	10.0
127.03938	8.0
137.05975	1.6
139.07545	14.8
145.04926	2.1
149.05989	9.7
163.07523	1.1
165.05405	0.9
167.07050	100.0
171.34474	1.0
181.08582	1.5
185.08063	1.3
187.06024	1.6
196.56442	0.9
199.09682	31.5
244.36021	1.0
259.11768	8.6
271.09698	1.9
273.52652	1.1
295.97791	1.1
361.14078	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	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24736	6.9
55.05507	49.4
56.68750	6.5
56.96558	9.8
62.57410	6.3
67.05511	59.3
67.72297	6.1
69.03439	11.7
69.07068	36.5
71.04996	94.0
79.05500	76.5
81.07063	47.1
83.04987	22.4
83.08614	18.4
85.02887	8.0
87.08163	7.0
91.05476	23.9
93.07050	82.8
95.08613	28.1
97.06539	20.2
97.10165	23.4
105.07023	20.7
107.08586	50.6
109.06542	7.5
109.10175	54.0
111.08030	7.1
119.08611	23.1
121.10146	73.1
125.09616	33.5
127.03902	12.2
131.08542	14.0
133.10109	14.7
135.11674	18.9
145.05014	12.7
145.10146	9.2
149.09636	19.7
149.13199	8.7
153.12749	59.3
155.10684	32.6
159.11713	14.8
173.11749	100.0
175.02811	9.7
189.11220	30.8
195.13789	13.0
227.16464	69.2
257.18933	12.8
275.20081	67.3
360.16953	27.5
360.20789	12.3
361.18048	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	361.0898
Annotation	Nitrovin
Peak:m/z	Relative Intensity
56.96551	2.2
72.99660	1.4
82.85725	1.6
84.67670	1.3
85.02898	3.3
98.21626	2.4
98.97576	3.3
110.97604	2.2
117.58941	1.7
164.72359	1.5
216.49271	1.8
219.01836	5.7
237.02817	1.7
289.06311	2.6
361.08966	100.0
379.09299	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	361.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
55.05516	0.8
56.81366	0.7
57.03439	6.1
59.04998	1.9
61.02935	1.4
65.03941	7.3
67.05507	43.1
69.03434	16.6
69.56984	4.9
71.04996	2.8
72.08163	3.0
73.02911	1.3
79.05493	1.6
81.03419	2.9
81.07064	1.3
83.04961	1.4
84.04517	2.0
85.02913	15.3
86.09706	2.2
87.04472	100.0
87.10040	1.0
91.05504	1.4
93.07040	0.9
94.12847	1.0
95.04972	87.3
95.08581	0.8
97.02873	6.1
99.04453	1.5
104.01937	0.9
105.07042	1.3
107.08536	1.2
109.02886	1.6
109.06524	0.8
111.04436	1.2
113.06012	65.2
115.03916	1.3
117.06985	1.2
120.05610	0.7
123.04404	1.0
125.06047	0.8
127.03937	6.9
132.95891	0.8
137.05980	2.5
145.04956	8.6
149.05988	1.0
153.05502	2.2
153.08994	0.8
159.11705	0.8
163.06006	2.8
163.07301	0.8
165.05466	0.8
167.07021	1.4
171.06586	3.2
183.06546	4.4
185.08095	1.0
186.93739	0.7
187.56639	0.8
199.09637	2.5
213.07623	2.8
231.08682	4.6
234.98941	1.5
309.91360	0.9
343.12500	0.9
361.13766	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	360.238
Annotation	Broussonetine H
Peak:m/z	Relative Intensity
55.05512	16.0
57.11528	1.0
59.05007	2.4
67.05492	3.0
69.07052	3.9
70.06585	3.7
70.52673	2.8
71.04979	1.3
72.08147	4.7
79.05480	3.8
81.07064	19.7
82.06582	1.8
83.04981	15.7
84.08146	4.4
85.02874	2.5
85.06535	1.4
86.06063	6.4
86.09721	7.6
93.07024	3.0
95.08628	5.8
96.08150	8.9
97.06576	1.5
98.09700	14.9
99.04480	1.2
99.08113	3.1
100.07611	1.4
101.06017	12.2
107.08588	3.3
108.08112	4.1
109.10177	3.0
110.09733	5.1
110.10426	1.6
111.04453	17.8
113.06004	1.4
114.09164	1.1
116.10739	41.5
119.08543	1.0
121.08928	1.5
122.09654	5.0
127.07568	2.5
129.05484	2.8
129.55092	1.0
134.09572	1.3
138.09172	1.3
138.12679	1.3
140.10759	1.4
141.10266	1.3
141.11484	2.5
142.08640	4.7
144.10213	1.1
151.11208	1.9
152.11586	1.8
153.12747	1.1
154.08626	3.4
154.12265	1.3
155.07057	11.5
156.10211	1.8
164.10669	3.1
172.09685	2.4
173.08121	18.3
178.15939	2.4
179.10706	2.4
180.11041	3.1
182.15404	3.1
190.12306	2.5
196.17004	12.3
198.12265	1.1
198.14781	2.1
201.12389	6.2
208.13348	2.8
214.18039	100.0
215.18416	1.6
226.14400	25.9
228.15953	2.1
229.11855	2.4
232.19055	9.4
244.15480	22.4
316.17798	1.1
324.21677	13.0
342.22784	55.3
343.22815	1.7
360.19315	1.3
360.23843	27.6
360.28125	2.5
361.12183	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	360.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61761	0.6
51.76377	0.5
52.04110	0.5
54.02895	0.6
55.01881	0.6
55.05507	1.4
56.05024	0.9
57.03439	2.0
57.85620	0.6
58.68044	0.6
59.04986	0.8
60.04519	1.6
61.02927	1.5
69.03436	4.4
69.07081	0.7
70.06593	2.0
71.04990	1.0
71.54460	0.7
72.08158	4.5
73.02911	2.0
73.06539	0.9
79.05484	0.8
81.03419	2.5
81.07033	0.7
83.04964	0.6
84.04513	19.5
85.02910	18.2
85.03297	0.4
85.03430	0.8
86.09700	6.9
87.04464	1.9
87.10006	0.6
89.03934	2.5
91.03967	0.9
91.05479	0.7
95.04961	0.8
97.02901	4.9
99.04473	1.0
101.06020	1.5
102.05560	1.1
103.03955	2.6
103.05471	0.9
107.04957	1.5
109.02860	1.7
111.04443	4.0
115.06182	0.5
116.07056	0.6
117.03409	5.6
118.08659	1.4
119.66862	0.6
121.53460	0.6
126.02425	0.8
126.05518	1.8
127.03918	3.8
129.05479	2.3
129.06453	0.8
131.04924	1.6
133.02855	0.9
134.39618	0.6
135.04424	12.4
137.06033	1.2
139.03897	1.6
141.04787	0.8
145.02858	10.4
145.04930	5.6
151.03909	0.6
152.07036	1.1
157.04990	2.5
162.09186	0.9
163.03920	100.0
165.05516	1.7
180.08800	1.2
180.10242	2.6
181.04980	47.3
185.16518	2.2
198.04317	1.0
198.11253	2.7
199.06140	0.7
213.15891	0.9
215.13992	1.6
221.11632	0.9
249.40048	0.7
342.22815	0.7
360.12903	12.1
360.16943	1.3
360.23645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.3
55.05506	25.2
57.03415	9.6
57.07081	8.7
67.05511	38.4
69.03434	10.0
69.07077	41.7
71.04993	11.2
71.55610	8.2
72.93783	8.4
79.05496	26.8
81.03409	18.8
81.07061	100.0
83.01331	14.3
83.04990	11.6
83.08609	22.5
84.02110	25.3
85.02892	19.7
89.22977	7.7
91.05468	31.5
93.07063	51.9
95.04963	18.7
95.08623	78.7
97.02913	13.5
97.06517	21.0
97.10167	13.5
103.05436	10.0
105.07080	39.6
107.08604	52.9
109.02880	20.8
109.06509	16.0
109.10155	67.0
111.04438	7.8
116.32645	7.9
117.07004	10.1
119.08578	36.5
121.06496	10.8
121.10156	39.9
123.11704	43.8
125.05907	8.6
127.03885	20.2
129.06993	13.2
131.08591	14.0
133.06488	11.2
133.10123	32.4
133.41959	8.5
135.08069	9.2
135.11699	15.7
137.05946	27.2
137.13243	11.6
139.11174	6.8
143.08562	25.3
145.10139	23.4
147.08015	13.8
147.11708	21.3
147.97624	7.7
149.13249	24.0
151.07520	18.2
154.03926	8.0
157.10135	12.6
159.11661	14.8
163.07506	8.7
167.07141	8.7
169.10092	20.0
171.11642	8.9
177.09103	10.6
179.17963	22.7
183.11607	9.3
185.09695	8.3
185.13257	7.5
189.16267	16.1
191.07106	9.6
195.11678	7.7
203.18005	16.9
207.11717	8.8
219.08041	9.5
221.13229	16.2
221.19022	22.6
231.17451	11.4
233.13290	9.8
235.14870	8.6
239.20111	8.8
247.14725	9.4
249.18517	68.9
257.21301	7.3
259.71106	8.2
267.19534	56.1
273.12631	9.2
305.24692	14.2
341.21069	8.1
359.15897	35.0
359.20126	58.6
359.27594	18.2
378.38861	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	359.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00598	3.6
52.03148	3.4
52.97803	3.8
53.03943	13.7
55.01864	7.6
55.05507	16.8
56.96566	11.1
57.03439	7.0
61.02929	5.6
65.03930	4.2
67.05513	23.3
69.03426	23.5
69.07079	18.4
69.74544	3.2
71.04978	11.2
71.55426	7.6
71.55804	4.1
79.05505	24.2
81.03422	53.9
81.07070	50.6
83.05003	17.8
83.08622	7.5
84.99434	3.1
85.02909	56.6
85.06537	10.3
91.05482	32.8
93.07052	31.8
95.04974	49.3
95.08601	35.8
97.02894	24.4
97.06540	12.5
98.97553	17.7
99.04446	11.7
100.07623	4.4
103.05463	5.3
105.07032	49.9
107.04961	16.1
107.08598	35.0
107.75378	3.7
109.02890	100.0
109.06508	11.9
109.10192	28.1
111.04432	7.0
111.08091	6.0
111.11699	6.4
113.05987	5.6
117.07032	9.3
119.04942	5.6
119.08593	25.3
121.06511	21.9
121.10146	17.0
122.03650	9.0
123.08018	5.4
123.11696	11.0
127.03945	15.6
128.06223	5.9
129.07025	9.3
130.05046	4.2
131.04900	11.3
131.08577	16.6
131.77568	3.5
133.06500	24.6
133.10133	17.1
135.04411	6.0
135.08032	16.9
135.11722	11.8
137.05978	89.1
137.13254	6.9
141.07019	5.4
143.08556	16.8
145.04979	9.6
145.06467	10.5
145.10133	25.1
146.07271	5.9
147.04407	4.6
147.08058	13.9
147.11679	14.0
151.07545	64.0
151.11174	4.1
157.06480	10.4
157.10153	12.4
158.99626	6.3
159.08046	7.3
159.11693	10.4
161.05994	6.5
161.09618	9.4
161.13295	9.6
163.07529	10.7
163.11218	9.1
165.09105	6.4
167.08638	3.8
169.10106	6.7
171.08043	5.8
171.11717	5.9
172.08899	3.9
173.06065	4.1
173.09604	12.2
173.13174	5.2
175.07562	3.9
175.11081	5.2
177.09128	30.6
178.04974	9.4
179.07045	6.3
179.08499	6.6
179.10738	5.1
181.01860	5.1
181.10294	3.6
181.12279	7.8
183.08127	7.2
185.09642	9.4
187.07576	5.8
187.11198	13.7
187.14717	7.6
189.09137	8.2
191.10632	6.1
197.09608	11.4
197.11673	7.3
199.02696	6.0
199.11121	4.6
201.09181	6.2
203.07053	5.8
203.18004	9.9
205.15923	4.6
213.09178	4.8
213.16412	9.1
215.10669	15.3
217.03717	6.7
221.19044	4.8
225.09206	5.0
226.06763	30.2
231.17555	5.8
235.07428	26.2
239.20012	7.3
243.10178	5.5
249.18520	13.4
253.12181	5.5
257.94949	3.8
265.07462	13.9
283.08777	4.4
287.23621	4.2
289.07492	6.9
298.09091	5.7
299.09131	5.7
299.12695	6.2
305.24612	10.9
307.09015	6.3
313.10928	5.4
313.14450	8.1
316.09885	6.0
321.10040	5.0
323.12933	8.3
326.15265	5.7
329.13635	4.8
341.09790	4.2
341.13815	11.1
341.21506	7.3
349.09622	16.0
359.15399	21.2
359.22980	15.5
359.73361	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	359.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09587	4.9
52.23431	4.5
53.03946	6.2
55.01853	5.0
55.05520	24.7
57.03431	4.6
65.03907	6.7
65.71319	5.0
67.05511	38.4
69.07082	45.8
69.44826	40.5
70.07410	4.7
71.05000	10.7
72.08154	5.0
79.05500	30.9
81.03423	16.1
81.07067	100.0
83.04986	29.3
83.08619	8.5
85.02906	10.3
85.06525	11.7
86.06068	14.1
86.09695	25.1
91.05475	23.0
93.07052	49.6
94.07383	4.6
95.04977	49.3
95.08613	72.1
96.08147	9.4
97.06522	17.2
97.10172	11.1
98.97603	5.8
99.04493	5.5
99.08134	5.8
105.07032	44.6
107.04991	7.1
107.08582	43.1
109.02892	13.6
109.06521	13.3
109.10154	50.8
111.04449	8.3
111.11722	6.9
113.06044	6.2
114.02946	5.3
116.10740	33.9
117.07002	7.3
117.11055	12.8
119.08560	33.4
121.10176	27.2
123.08087	5.4
123.11694	17.3
125.09614	10.3
131.08560	15.8
133.06496	6.1
133.10115	20.6
135.08040	8.3
135.11685	17.2
137.05974	35.1
139.07567	6.8
142.08702	6.5
143.08632	6.3
145.10135	11.1
147.11705	24.9
149.13231	15.5
151.07529	19.6
157.10150	8.1
159.11697	18.5
161.05893	5.5
161.13232	17.7
163.14854	8.4
167.07047	7.3
171.07988	6.3
171.11668	6.9
175.14880	8.5
177.05389	6.8
177.09192	5.6
177.12762	7.3
187.14871	6.3
189.16508	8.0
203.17992	7.3
213.16650	18.4
230.17537	17.9
231.17796	37.9
245.15793	18.5
269.13611	16.8
269.22647	9.3
270.08792	5.5
287.23712	12.2
288.89041	6.2
305.24783	20.6
311.12857	7.0
341.10205	10.8
341.21359	7.8
359.07800	5.9
359.12045	18.7
359.22586	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	359.1855
Annotation	CHEBI:69674
Peak:m/z	Relative Intensity
53.03939	1.1
54.48014	1.1
55.01863	1.3
55.05498	2.0
65.03925	1.2
67.05499	2.3
69.03429	2.2
69.07058	2.6
70.44009	1.3
70.44362	3.2
71.04971	1.5
71.08670	1.0
79.05483	3.0
81.03405	2.9
81.07059	5.7
83.04947	1.1
91.05486	7.9
93.07036	3.7
94.04176	3.1
95.04945	2.1
95.08594	3.5
97.06568	1.1
103.05449	4.7
105.07040	8.0
107.04961	8.7
107.08568	2.1
108.05724	3.2
109.02876	2.9
109.06526	2.6
109.10138	2.7
115.05405	1.5
117.06998	2.3
119.04927	1.1
119.08556	3.0
121.06487	7.4
121.10127	2.6
122.03654	9.0
123.08001	1.2
127.22224	0.9
131.04932	9.1
131.08571	1.5
133.06485	24.0
133.10138	1.6
135.04420	1.9
135.08109	1.9
135.11717	1.2
136.05209	4.8
137.05981	100.0
143.08539	1.7
145.06468	3.1
145.10101	1.1
146.07236	6.4
147.08054	8.1
149.06001	1.8
150.06737	2.2
151.07547	86.1
157.06540	1.5
157.10048	1.8
159.08029	1.7
161.06042	1.6
161.09607	1.2
162.06694	2.1
163.07562	9.6
165.09116	6.7
169.10077	1.6
171.08034	2.9
175.07565	2.9
177.09116	29.6
177.10661	1.5
179.10730	1.2
187.07570	1.5
188.08269	1.4
189.09148	4.9
191.10686	2.9
201.08977	1.3
203.10629	3.6
209.59444	1.0
217.12173	1.9
221.13176	1.4
245.01692	1.0
277.12311	1.6
309.14844	5.1
326.15146	9.2
341.17514	4.8
359.11639	1.1
359.20145	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	359.1856
Annotation	CHEBI:69674
Peak:m/z	Relative Intensity
51.02383	0.8
55.05506	1.3
65.03970	1.1
67.05512	1.2
69.07063	1.9
69.59990	5.5
70.06586	1.2
70.72668	0.8
72.70409	0.8
79.05479	3.5
81.07063	4.1
83.04994	1.7
84.04513	0.9
85.02891	0.9
86.06061	2.0
86.09701	2.4
87.10046	1.1
91.05482	7.5
93.07046	3.9
94.04186	3.0
95.04967	2.3
95.08627	2.5
97.06522	1.3
103.05466	3.6
105.03378	0.9
105.07045	6.9
107.04971	8.1
107.08630	1.1
108.05729	3.0
109.02880	1.7
109.06535	2.2
109.10159	1.1
111.04474	1.0
115.05495	1.6
116.10720	4.0
117.07019	2.3
117.11071	1.0
119.04995	1.4
119.08601	3.0
121.06521	7.8
121.10148	1.0
122.03667	7.9
128.06287	1.1
129.06927	1.8
131.04932	6.6
131.08563	0.9
133.06505	24.4
133.10182	1.2
135.04417	2.7
135.08025	2.5
135.11653	1.2
135.96519	0.8
136.05206	5.4
137.05989	100.0
138.06303	1.5
143.08572	0.9
145.06494	4.0
146.07268	6.0
147.08081	8.0
149.05939	1.5
149.09680	1.0
150.06770	3.1
151.07558	81.7
157.06432	1.4
159.08101	1.5
159.11841	1.2
160.08809	1.8
161.06021	1.0
161.09657	1.2
162.06802	1.8
163.07550	8.2
165.09117	7.2
171.08128	2.1
175.07556	2.2
176.08307	1.7
177.09132	31.1
188.08357	1.0
189.09151	4.5
191.10698	2.0
197.11552	1.1
201.09094	0.8
203.10677	3.7
217.12271	1.9
226.14381	0.9
227.14699	3.0
244.15472	3.4
245.15799	7.9
278.12909	0.9
283.10379	0.9
309.14902	5.4
323.62091	1.1
326.15125	8.5
341.17416	4.6
356.95187	0.9
359.12619	7.2
380.24457	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1855
Annotation	CHEBI:69674
Peak:m/z	Relative Intensity
53.03947	1.1
55.01862	1.2
69.03436	1.2
71.19677	1.7
79.05483	3.0
79.15055	0.7
81.03405	1.5
81.07048	3.2
85.02895	1.0
87.19563	0.7
91.05477	5.3
93.07046	2.4
94.04169	2.9
95.04962	2.6
95.08613	1.1
99.04485	0.8
103.05463	4.0
105.07024	7.2
107.04946	6.4
107.08580	1.0
108.05734	2.4
109.02879	2.5
109.06518	1.7
109.10138	1.4
115.05454	1.6
117.07019	2.9
119.08566	1.8
121.06487	6.2
121.10198	1.0
122.03659	8.3
129.07018	1.0
131.04932	6.6
131.08537	1.1
133.06505	21.7
135.04414	1.9
135.08083	1.8
136.05225	6.5
137.05991	100.0
138.06339	1.1
145.06497	2.5
145.10109	1.0
146.07285	7.3
147.08060	7.2
150.06770	1.9
151.07556	86.9
152.07874	0.9
153.09113	0.7
157.06573	1.4
159.08157	1.0
160.08920	1.0
161.05971	1.8
162.06778	1.5
163.07559	8.7
165.09116	6.8
171.08099	1.9
174.06799	1.5
175.07559	2.3
176.08362	1.3
177.09119	28.2
185.09520	1.0
189.09106	3.5
191.10658	1.8
195.71420	0.9
202.09895	1.6
203.10699	4.0
217.12332	1.9
248.52084	0.8
277.12259	1.0
278.13202	1.6
309.14859	4.5
326.15140	6.5
341.17517	5.0
359.19696	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01859	1.5
55.05503	1.6
57.03437	9.1
64.88983	0.8
67.05504	1.7
69.03432	1.2
69.07061	2.4
69.83163	2.5
70.06559	0.8
71.04994	0.9
76.61991	0.7
79.05494	2.8
81.03413	3.9
81.07055	4.6
83.04951	0.9
83.08625	1.4
85.02917	1.4
90.04685	0.9
91.05476	7.5
93.07034	4.1
94.04188	2.6
95.04974	2.0
95.08615	4.4
97.02873	1.1
97.06542	1.6
98.21465	1.4
103.05489	4.4
105.07034	8.6
107.04979	6.1
107.08590	2.9
107.09659	0.8
108.05733	2.2
109.02901	5.6
109.06524	2.2
109.10152	2.1
111.08084	11.2
115.05453	0.8
117.07014	2.9
119.04994	1.0
119.08578	3.3
121.06490	5.8
121.10159	2.2
122.03657	9.6
123.11691	1.3
127.03887	1.8
128.06233	1.2
129.07022	1.8
131.04929	6.1
133.06497	21.4
133.07451	1.4
133.10138	2.0
135.04424	2.1
135.08058	1.9
135.11716	1.0
136.05225	6.0
137.05984	100.0
143.08557	2.3
145.06491	2.8
145.10152	2.3
146.07234	3.8
147.08055	7.4
147.11661	1.4
149.06006	1.5
149.09715	0.8
150.06763	2.8
151.07549	77.6
157.06464	2.3
157.10150	2.0
158.07259	1.2
159.08116	1.7
161.05995	5.6
161.09604	1.6
162.06770	2.2
163.07567	8.3
163.11221	1.0
165.06944	0.7
165.09146	8.1
171.08073	2.5
171.11816	1.0
173.09663	1.4
175.07520	2.3
176.08359	1.4
177.09117	25.0
179.08548	1.0
179.10706	1.4
181.12262	0.8
187.11201	1.4
188.08389	1.4
189.09148	5.9
191.10686	1.8
193.08606	1.8
201.09261	1.4
202.09924	1.0
203.10722	3.2
205.12248	0.8
215.10651	1.2
217.08632	2.3
217.12253	1.7
253.08609	2.9
278.13000	1.0
284.10275	1.1
285.12183	2.3
294.12344	0.9
297.12048	1.1
309.11237	4.8
309.14880	4.3
315.13327	1.4
323.19788	1.1
326.15140	8.0
329.13824	1.7
341.13852	4.7
341.17615	4.5
341.21292	1.3
342.10510	0.9
359.12485	0.6
359.15176	1.5
359.22656	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1855
Annotation	CHEBI:68175
Peak:m/z	Relative Intensity
53.03936	2.3
55.01868	1.4
55.05507	2.4
56.96556	1.8
65.03928	1.1
67.05486	3.8
69.03403	2.2
79.05490	3.3
81.03433	6.3
81.07045	5.2
83.04974	2.0
84.04491	1.4
85.02909	1.4
91.05491	9.7
93.07018	2.8
94.04178	3.8
95.04963	1.9
95.08595	4.6
97.02891	3.0
97.06517	1.3
98.97549	1.2
99.04485	1.2
103.05485	5.5
105.07034	10.4
107.04964	7.6
107.08597	3.3
107.42085	1.0
108.05778	2.7
109.02899	13.5
109.06513	3.0
109.10155	2.6
111.04460	1.0
115.05445	1.7
117.07023	3.9
119.04932	1.7
119.08569	4.4
121.06497	8.9
121.10130	1.5
122.03641	8.5
127.03880	1.5
128.06236	1.9
129.07014	2.7
130.04999	2.4
131.04878	6.2
131.08559	2.0
133.06503	26.7
133.10072	2.8
135.04422	2.9
135.08070	2.6
136.05197	6.2
137.05989	100.0
137.09515	2.1
141.06990	1.3
143.08595	2.4
145.06474	5.2
145.10110	2.9
146.07306	7.8
147.08023	7.2
147.11699	1.3
149.05960	1.0
149.09502	1.1
150.06740	2.5
151.07556	83.8
155.08566	1.5
157.06505	2.5
157.10054	1.8
159.08031	2.2
159.11700	3.0
160.08913	1.3
161.06010	1.7
161.09676	1.7
163.07523	12.5
163.11229	2.0
165.09106	6.8
169.10172	2.1
171.08044	3.7
175.07500	2.5
176.08336	2.0
177.09114	27.6
183.11597	1.3
185.09625	1.1
187.07613	1.4
187.11250	1.3
189.09114	4.1
191.10683	2.0
195.11635	1.0
201.09015	1.8
202.09627	1.1
203.10681	3.9
206.10988	1.1
213.08922	1.1
215.10721	1.8
217.12245	2.5
221.13182	1.6
231.11647	1.4
261.73166	1.0
309.14984	5.3
326.15219	7.6
341.17502	3.9
359.15762	2.4
359.20016	14.2
359.27539	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	359.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96585	2.9
65.59816	1.6
67.05505	2.6
69.19534	15.4
73.77190	1.5
79.05486	2.8
81.07059	4.3
83.05020	2.9
91.05482	7.4
93.07034	2.5
94.04178	5.1
95.08588	3.3
103.05482	5.3
105.03406	3.8
105.07061	11.6
107.04961	7.3
107.08581	3.3
108.05744	4.2
109.06545	3.2
115.05486	1.6
117.07017	3.5
119.08601	3.2
121.06506	7.8
122.03656	9.6
128.06226	2.9
131.04932	9.4
131.08582	1.9
133.06506	23.5
133.10052	1.9
135.04398	3.9
135.08112	2.9
136.05205	6.8
137.05988	100.0
143.08583	3.9
145.06522	4.2
145.10097	2.2
146.07306	5.6
147.08076	10.7
149.06041	2.2
150.06761	3.0
151.07552	96.7
157.10176	2.6
159.08095	2.3
163.07585	10.9
165.09171	9.9
166.93925	1.7
169.10121	2.6
171.11641	2.7
173.06026	2.0
177.09119	31.4
181.10056	3.1
183.11633	3.0
189.09122	6.2
191.10640	1.8
195.11746	2.4
197.13287	2.5
199.11110	2.1
203.10634	3.9
207.11664	2.6
217.12309	3.5
221.13254	3.8
235.14827	2.1
243.11740	2.5
271.14832	2.3
285.16342	3.1
292.19855	1.6
309.14856	4.1
312.52167	2.2
315.13467	2.1
326.15106	7.4
331.02429	1.7
331.16934	1.9
331.20514	2.1
341.17493	2.7
359.12680	2.1
359.16199	9.8
359.20166	20.2
380.37134	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1853
Annotation	CHEBI:69674
Peak:m/z	Relative Intensity
53.03949	0.9
55.78111	1.1
71.55576	1.8
79.05466	2.9
81.07046	1.1
84.73637	0.9
91.05477	4.4
94.04185	2.7
95.04967	1.0
95.08603	1.2
101.72066	0.9
103.05482	4.1
105.07046	7.7
107.04971	5.7
108.05729	3.1
117.07021	1.9
119.05044	0.9
120.22616	1.0
121.06509	6.1
122.03651	9.3
123.08086	1.3
128.06229	1.6
129.06999	1.4
131.04956	6.6
133.06503	22.5
135.04393	1.9
135.08063	1.5
135.86049	0.9
136.05199	5.3
137.05991	100.0
143.08623	0.9
145.06471	3.5
146.07275	5.5
146.55666	1.0
147.08040	8.1
149.06049	1.2
150.06741	2.3
151.07558	79.5
157.06499	2.8
161.06030	1.4
162.06837	1.8
163.07561	9.1
165.09131	6.5
171.08018	1.5
175.07487	2.6
177.09120	30.1
177.10675	2.1
179.10709	1.6
189.09175	2.8
191.10707	2.2
202.60216	1.2
203.10712	2.2
251.63583	1.0
278.12970	1.5
309.14917	4.9
326.15060	7.7
341.17514	3.5
359.28229	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1853
Annotation	CHEBI:69674
Peak:m/z	Relative Intensity
54.09605	0.8
55.01852	0.9
55.05507	1.3
65.03937	0.9
66.04733	0.9
69.07077	1.1
71.55132	1.1
79.05499	2.0
81.03461	0.8
81.07071	1.6
81.78140	0.9
91.05493	8.2
93.07069	1.1
94.04181	3.4
94.12241	0.8
95.04985	1.0
95.08636	1.1
103.05485	4.5
105.03407	0.8
105.07059	6.8
107.04974	6.2
107.08630	0.9
108.05756	2.7
109.06531	1.8
115.05510	1.7
117.07011	3.7
118.04162	0.9
119.08575	1.6
121.06516	6.7
122.03660	8.9
124.00310	0.9
128.06218	0.9
129.07016	1.1
131.04919	6.3
131.08606	0.9
133.06499	22.8
133.10159	1.1
135.04416	2.6
135.08089	2.2
136.05199	4.7
137.05991	100.0
143.08553	1.4
143.36885	0.8
145.06522	3.9
145.10164	0.9
146.07310	4.9
147.08064	9.0
149.06067	1.0
150.06731	2.1
151.07558	88.0
157.06544	1.8
157.10115	1.5
159.08043	1.9
160.08891	0.8
161.06026	1.1
162.06818	1.3
163.07565	10.1
165.09125	6.7
171.08076	2.1
175.07610	2.6
176.08324	1.3
177.09122	33.6
181.10138	1.2
187.07582	0.9
188.08321	1.3
189.09155	2.8
191.10559	1.6
197.13333	3.1
201.09151	0.9
203.10690	4.1
217.12230	1.9
257.13348	1.0
258.14038	1.4
259.10925	1.0
278.12869	0.9
279.23959	0.9
287.65036	0.9
309.14911	4.9
326.15143	8.2
334.97446	0.9
341.17538	4.5
359.16266	3.5
359.20102	11.3
361.59204	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41219	0.6
50.95145	0.6
53.03926	1.1
55.01850	1.1
55.43796	0.6
57.03423	2.3
59.04982	0.7
59.39462	0.7
61.02917	2.9
61.16219	0.5
64.29316	0.7
67.05489	2.0
69.03430	4.9
69.07055	1.2
69.84569	3.3
70.06598	1.1
71.04973	0.8
72.08155	1.7
73.02911	1.6
79.05483	2.1
81.03419	3.1
81.07038	2.7
81.16943	0.6
83.04970	0.8
84.04517	0.9
84.08128	0.6
85.02908	21.2
85.06519	0.7
86.06116	0.7
86.09709	4.4
87.04479	0.8
91.05490	4.5
93.07050	7.5
95.04956	2.6
95.08610	2.0
97.02917	4.5
97.06512	0.6
98.20840	1.2
103.05444	0.7
105.07035	6.6
107.04965	1.3
107.08598	18.6
109.02874	2.1
109.06511	2.2
109.10158	1.6
119.04921	0.6
119.08601	3.3
121.06507	2.3
121.10165	1.0
123.04395	0.9
123.08043	1.4
123.11681	0.9
127.03941	4.4
131.04974	1.5
131.08578	1.1
132.04453	1.0
133.10143	18.2
135.08076	1.1
135.11691	20.0
137.05969	2.7
137.09613	2.1
145.04922	2.6
149.05981	0.9
149.09711	0.9
151.11172	1.8
161.05980	0.8
161.09647	9.5
163.07480	0.9
167.06998	0.9
173.28577	0.6
179.10669	32.9
189.12280	0.8
197.11739	100.0
240.52968	0.7
253.08583	0.8
297.11200	0.7
302.12598	1.2
306.66483	0.6
315.69821	0.7
345.13010	4.6
359.11646	1.2
359.16174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
52.68931	0.7
53.03939	1.2
55.01867	0.9
57.03432	1.8
60.47986	0.7
61.02934	3.2
67.05485	1.1
69.03437	7.4
70.80832	1.5
71.05007	0.8
73.02927	1.1
79.05501	1.4
81.03409	2.5
81.07061	1.3
85.02911	28.9
86.09729	0.6
87.04427	0.9
91.05492	4.7
93.07045	6.2
95.04968	2.6
97.02899	6.2
99.04463	0.7
105.07030	5.4
107.08602	17.2
109.02863	2.7
109.06534	1.5
109.10107	1.5
110.99141	0.8
111.05520	1.0
119.08564	2.5
121.06553	1.1
123.11766	1.0
125.09769	0.7
127.03946	5.2
132.04460	4.6
133.10135	19.8
134.06004	1.3
135.11705	17.9
137.05977	1.4
137.09587	1.0
145.04976	1.8
151.06209	1.5
151.11197	2.1
161.09631	11.3
174.10237	0.7
179.10684	32.4
194.06738	1.0
197.11740	100.0
198.12054	0.7
202.09747	0.7
242.09320	1.2
251.61697	0.7
257.10208	1.1
259.11932	1.2
302.12451	1.5
327.12109	1.0
345.13092	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	359.1699
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03935	1.0
54.68170	0.8
55.01874	1.1
55.05521	1.1
57.03439	1.2
67.05492	3.0
69.03427	4.4
69.07076	3.9
69.18035	4.0
69.18456	3.6
71.04966	1.8
72.08105	1.6
79.05503	3.6
81.03417	7.1
81.07063	6.4
83.05003	1.4
85.02889	3.4
86.09683	0.9
91.05505	3.7
93.07050	8.1
95.04976	5.2
95.08592	2.4
97.02858	2.0
99.04462	0.7
100.06316	0.7
103.05453	1.1
105.07038	6.0
107.04937	1.5
107.08595	7.1
109.02877	3.0
109.06526	10.5
109.10157	10.5
116.10715	1.8
117.07037	1.0
117.11045	1.0
119.08565	5.7
121.10118	1.6
123.04414	2.4
123.08065	2.4
123.11691	3.0
127.03919	2.4
131.04901	2.2
131.08594	1.1
133.02867	0.9
133.10144	13.2
137.05963	2.2
137.09612	13.2
142.08675	1.0
143.08591	1.4
145.10211	0.8
151.11183	18.6
159.08159	0.7
161.05954	1.6
161.09631	6.8
168.00189	0.7
178.04900	1.1
179.10675	60.6
181.06499	0.9
197.11740	100.0
198.12059	1.1
218.56738	0.7
222.58636	0.8
231.17865	0.8
244.15402	1.3
245.15790	3.2
253.08632	0.9
269.08105	0.9
329.10266	1.6
341.10226	1.8
341.21524	1.1
359.12860	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	359.1701
Annotation	Loliolide beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01881	0.7
55.05512	1.1
57.07079	1.2
61.02921	0.6
65.57435	0.5
66.92223	0.6
67.05500	3.2
69.03434	2.4
69.07078	3.2
69.26746	1.2
69.27155	4.1
71.04986	0.9
79.05484	1.2
81.03429	1.3
81.07065	8.7
83.04985	0.6
83.08646	0.6
85.02914	6.6
86.09776	0.9
87.37802	0.6
91.05489	1.3
93.07069	2.4
95.04978	19.7
95.08611	8.3
97.02908	1.2
97.25315	0.6
99.04385	0.8
105.07036	2.2
107.08602	6.0
109.06545	2.7
109.10172	13.7
111.04477	1.8
119.08601	1.6
121.06564	0.7
121.10166	0.9
123.08084	2.9
123.11719	23.1
125.05984	0.7
127.03944	1.7
131.04842	0.6
133.10132	6.3
135.08054	1.0
135.11678	1.5
137.05966	1.3
137.09637	17.7
141.12772	0.8
145.04993	1.0
151.11183	11.3
161.09650	2.7
163.29233	0.6
169.12256	0.6
179.10686	79.8
197.11745	100.0
225.10466	0.7
237.14859	0.8
359.12125	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
55.05503	1.2
57.03419	0.7
57.07075	1.2
59.04983	0.8
61.02905	0.7
67.05492	2.7
69.03446	3.4
69.07061	2.6
69.26405	6.9
71.04974	0.8
73.02910	0.7
74.23741	0.6
79.05495	2.0
81.03409	1.9
81.07066	8.2
83.04967	1.1
83.37067	0.7
85.02906	7.6
86.09711	1.2
91.05476	1.8
93.07036	2.6
95.04979	20.0
95.08611	8.4
97.02897	1.1
97.06519	1.0
98.21572	1.2
99.04472	1.0
100.01540	0.7
105.07013	2.9
107.08607	6.6
109.02839	1.1
109.06544	4.0
109.10165	16.5
111.04456	1.9
119.08566	1.4
121.10192	0.8
123.08094	3.3
123.11716	25.0
125.06038	0.8
127.03914	1.1
133.10136	4.2
135.08090	1.1
135.11725	3.2
137.05971	1.4
137.09624	18.2
143.08617	0.7
145.04892	0.7
151.11182	14.3
161.09676	3.6
169.12251	1.3
169.27773	0.7
179.10680	83.3
184.58170	0.7
197.11739	100.0
214.16090	0.7
359.12125	1.0
359.22464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18761	0.9
61.02900	1.5
62.88079	0.9
69.03436	2.4
69.34763	4.1
69.35190	3.4
70.29814	0.9
81.03429	1.7
81.07039	1.0
83.06085	1.3
85.02908	12.5
86.09714	2.5
91.05473	1.7
93.07026	2.2
95.06100	1.0
95.08633	1.7
96.04487	0.9
97.02886	3.6
103.05434	1.9
105.03414	1.1
105.05784	1.7
105.07034	3.1
107.08606	9.7
109.02882	1.5
109.10133	1.2
111.05566	4.2
119.08571	1.7
120.04490	2.8
121.06486	1.5
123.04388	1.1
126.06645	2.4
127.03943	2.0
131.04948	3.6
132.04466	22.6
133.02870	1.5
133.10141	12.4
134.06017	3.7
135.11685	7.3
137.04735	1.1
137.06012	3.2
137.09621	1.3
145.04987	1.6
151.06183	8.3
161.09584	3.8
163.07590	1.5
179.08340	1.0
179.10696	15.9
194.06805	4.7
197.11736	41.0
202.09859	2.2
230.09143	1.3
242.09236	5.1
257.10349	4.2
259.11911	10.2
284.11478	8.7
302.12491	14.2
327.12039	4.8
345.13074	100.0
359.14670	1.5
360.33344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1336
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
52.94518	1.8
53.03941	3.7
54.46243	1.8
55.01859	2.4
55.05485	4.5
57.03438	4.3
60.14127	2.2
61.02926	2.7
67.05471	2.6
69.03416	6.1
69.07070	2.9
70.06576	5.2
71.04971	2.6
71.28581	4.5
71.39010	1.9
71.80991	2.1
72.07800	3.0
72.08153	38.3
73.02930	19.7
81.07028	3.0
83.06115	14.2
84.04507	26.0
84.08141	3.7
85.02895	14.2
86.09212	3.5
86.09705	46.2
91.05466	5.5
93.07027	3.5
95.04955	3.8
97.02876	5.3
97.06522	4.1
99.04429	3.9
101.07104	2.2
101.50702	2.4
103.03912	3.1
105.07023	3.1
106.35702	2.1
107.04939	2.5
109.02875	2.2
109.06541	3.6
111.04420	4.4
118.08652	4.8
118.92982	2.1
119.04942	2.0
119.08518	2.5
125.05997	27.5
127.03911	4.8
129.06566	4.0
131.04895	3.4
132.10193	13.6
136.92795	2.2
137.05980	20.2
138.09125	5.7
144.13553	2.2
149.05894	2.8
151.03906	83.9
151.04980	4.5
151.07487	4.5
157.13321	9.3
167.06978	2.7
175.07582	3.2
175.10770	7.8
179.07042	29.8
179.10533	2.9
182.12917	11.9
183.11278	11.2
185.12854	4.9
187.07556	3.6
197.08092	100.0
197.12903	5.1
200.13902	4.5
210.12390	3.3
211.07266	3.3
224.14024	2.8
228.13446	4.4
279.10187	2.5
323.12827	2.6
341.10416	3.1
341.21710	9.7
359.16672	6.7
359.23117	3.2
360.12811	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1338
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
53.03952	2.6
67.05498	3.1
69.03429	5.1
70.50668	4.8
70.51025	3.6
72.08160	14.7
73.02924	20.6
73.04510	2.3
74.85102	2.1
83.06106	5.8
83.23792	2.5
84.04516	10.4
84.08121	2.2
85.02920	15.5
86.09719	12.4
95.04959	3.6
97.02865	2.4
97.06499	3.2
99.04449	2.9
103.03966	3.3
105.01888	2.2
105.07045	2.6
110.03638	3.2
111.04427	3.1
118.08698	2.4
119.98138	2.1
125.05998	31.7
127.03927	3.7
131.04938	4.0
132.10176	5.7
133.41008	2.1
137.05984	19.2
151.03918	88.9
151.05048	4.9
151.07509	3.7
161.05989	2.3
167.07092	3.3
179.07027	34.9
182.12926	5.1
183.11269	5.8
183.29469	2.3
185.12772	2.8
187.07494	2.6
197.08096	100.0
197.12889	4.2
209.41862	2.2
261.87576	2.4
307.38742	2.3
341.21887	7.1
359.16724	4.5
360.13000	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
55.05514	0.5
56.96558	0.7
57.03417	0.6
59.94246	0.4
61.02917	0.8
69.03426	2.3
70.06590	0.6
71.06057	0.9
72.08159	0.7
73.02899	0.6
77.56866	0.4
79.05510	0.5
81.03412	1.2
81.04548	0.7
81.07063	0.6
84.04499	0.5
85.02906	6.7
86.09718	0.9
87.04462	0.5
91.05468	3.3
95.04946	0.4
97.02890	2.6
97.06523	0.5
98.97571	1.3
101.00891	0.6
105.03397	1.2
107.04933	0.4
107.06050	0.4
109.02882	0.5
109.06527	1.6
110.97595	0.5
119.04902	0.9
127.03933	1.8
130.05026	0.6
133.02863	6.0
137.05986	3.0
145.04953	1.4
147.07657	1.6
159.03162	0.4
163.03957	0.5
165.05489	6.3
177.05475	0.5
182.05798	0.9
185.04231	0.7
185.16484	0.6
188.05190	0.7
197.05716	0.5
197.06085	0.7
197.08041	9.6
209.41629	0.4
213.04382	1.6
219.01749	0.9
225.31721	0.3
231.05295	1.9
255.55397	0.4
257.08698	0.6
269.07806	1.0
273.06540	0.9
278.08228	0.8
280.26013	0.4
341.14087	0.5
353.48645	0.4
359.13126	100.0
360.13486	1.1
375.09888	1.0
377.12906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82158	0.8
55.05511	6.3
56.05024	0.9
57.03428	1.4
59.04988	1.4
62.06080	3.5
67.05499	2.0
69.03425	2.0
69.06740	1.3
69.07077	21.9
69.46577	5.8
70.06584	2.0
71.15170	0.9
72.08152	1.5
73.06561	2.8
79.05487	3.3
81.03378	1.0
81.07066	4.7
82.06617	0.9
83.04984	6.8
84.04494	2.6
85.06550	0.9
86.05592	1.2
86.06075	19.0
86.09708	19.1
91.05458	2.1
93.07049	1.9
95.04954	1.0
95.08601	1.7
96.08134	7.2
97.06512	2.8
98.06042	1.1
98.09708	9.0
99.04427	1.5
99.38000	0.9
100.07602	2.0
101.06021	4.4
103.05437	0.9
105.06995	2.1
107.04974	1.3
107.08594	1.1
108.08109	2.4
109.02847	1.0
109.06506	1.5
109.10110	1.0
110.06064	1.0
110.22711	0.8
111.04452	9.3
115.07536	2.0
116.10744	24.3
119.08568	3.5
120.08111	0.9
121.08945	0.8
121.10214	1.0
122.09622	1.6
123.08090	1.3
124.07613	1.6
127.03905	0.9
129.05473	1.6
131.04968	0.9
133.10133	0.9
134.09679	1.5
136.07558	1.1
137.05968	2.8
137.09615	1.2
140.10674	1.2
141.09103	1.2
142.08641	12.1
149.09604	2.1
150.09929	2.5
154.08614	2.3
155.07034	3.1
155.44037	0.7
158.11758	3.2
164.10710	5.7
165.09148	2.0
172.09735	1.5
173.04311	1.0
173.08073	1.8
179.10612	1.7
180.13857	1.3
180.35928	0.9
182.08194	2.0
182.15404	3.8
184.13370	0.9
190.12239	4.6
197.11758	2.2
198.14847	2.0
199.18033	6.6
207.06374	0.9
208.13365	6.1
212.16437	8.7
226.14389	26.8
227.17538	3.0
230.17432	1.6
231.37930	0.9
244.15468	100.0
245.18649	1.2
250.10925	1.0
264.12372	1.1
314.17551	1.1
340.13763	1.5
340.21234	13.9
351.74652	0.8
358.14352	0.9
358.22321	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	358.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.1
56.05019	1.1
57.03423	0.7
67.05491	2.1
68.05033	0.8
69.03410	0.7
69.07070	12.9
69.27374	7.3
70.06583	1.8
71.04990	1.6
72.08159	1.6
73.06556	1.4
79.05484	4.0
81.07057	3.7
82.06580	1.5
83.04972	6.5
84.04515	6.9
85.02903	1.3
85.06497	1.0
86.06067	15.4
86.09217	1.5
86.09711	20.0
91.05495	1.0
93.07074	1.7
95.04967	1.5
95.08607	2.0
96.08127	6.1
97.06528	2.2
98.06075	1.8
98.09693	8.0
98.21513	1.7
99.04481	0.8
101.06009	3.6
105.07007	2.1
107.04965	0.8
108.08098	1.4
109.06496	0.9
111.04450	6.4
111.08087	0.9
114.09164	1.1
115.07581	1.3
116.10740	29.3
117.07004	0.8
119.08561	3.1
122.09656	1.5
124.07561	1.3
126.05503	0.9
127.07516	2.3
128.07143	0.7
129.05431	0.8
130.04993	1.8
133.06503	1.4
134.09648	2.1
137.06009	5.1
137.06883	1.1
142.08652	15.4
145.10146	0.8
147.08174	1.0
149.09575	0.8
151.07544	3.1
155.07028	3.1
158.11786	0.9
162.12735	1.2
164.10727	5.1
169.07643	1.6
173.08087	2.1
177.09071	1.7
180.13902	1.2
181.83072	0.7
182.15408	4.0
184.13329	0.8
190.12340	3.6
198.14903	2.8
199.18062	7.0
208.13347	6.8
212.16516	3.0
225.06610	2.6
226.14392	26.4
227.17555	3.4
230.17549	6.1
244.15457	100.0
271.07211	1.3
340.21222	2.9
358.10434	1.3
358.14731	3.3
358.22433	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	357.2789
Annotation	Nisinic acid
Peak:m/z	Relative Intensity
55.05516	2.3
57.07084	1.8
59.05003	1.8
60.33851	1.7
60.67844	1.3
67.05516	11.3
68.48141	1.2
69.07073	5.6
69.34603	8.4
69.35007	2.9
71.04986	3.1
74.89720	1.5
79.05495	5.2
81.07056	19.0
82.08765	1.5
82.43237	1.2
83.08643	1.5
85.06561	2.5
91.05478	4.0
93.07061	16.4
95.08614	29.9
99.08114	1.6
103.82894	1.3
105.07044	9.7
107.08595	26.9
109.06525	3.2
109.10159	41.8
111.08074	4.5
113.09634	1.7
117.06994	2.4
119.08582	15.1
121.10151	13.4
123.08055	2.0
123.11726	7.5
125.09633	2.0
131.08592	5.5
133.10147	11.5
135.08073	4.9
135.11678	11.4
137.09615	7.3
137.13264	4.3
143.08669	1.9
145.10127	10.6
147.11710	9.4
149.09637	2.9
149.13284	6.9
151.11191	32.4
153.12767	2.5
157.10126	4.1
159.11705	11.6
161.13257	7.7
163.11232	4.3
163.14806	7.0
165.12794	4.7
171.11726	2.0
173.13239	7.3
175.14847	4.8
177.12772	4.2
177.16435	4.5
179.10675	2.0
179.14352	3.8
185.13300	2.0
187.14876	8.8
189.16383	10.6
191.14308	15.2
193.15891	3.5
195.61290	1.5
199.14894	2.2
201.16447	6.1
203.14378	2.1
205.15846	10.5
206.16652	16.8
207.17490	6.4
211.14885	2.2
213.16434	3.1
215.14297	2.9
215.18063	2.0
217.16069	1.6
219.17490	3.2
227.18051	1.9
233.19107	1.8
245.19020	2.0
246.54280	2.0
253.19545	1.8
265.19400	1.5
297.25720	2.6
315.26968	6.9
321.25723	3.1
339.26859	24.8
357.27914	100.0
357.35489	6.6
358.27914	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1498
Annotation	Bakankoside
Peak:m/z	Relative Intensity
51.43682	0.6
53.03940	0.6
55.01860	0.8
55.05525	0.6
56.42536	0.5
56.96567	5.1
57.03415	1.9
61.02910	2.1
69.03148	0.6
69.03437	5.6
70.02610	2.2
70.06577	1.3
71.01323	0.6
71.04967	1.0
73.02927	2.5
81.03398	2.1
82.06579	0.9
83.01331	0.7
84.08138	0.8
84.96001	0.9
85.02431	0.8
85.02905	9.9
87.04457	1.5
91.03963	0.8
91.05461	1.5
92.04976	1.8
96.04470	1.4
97.02909	5.4
98.06048	0.5
98.97585	10.2
99.04433	1.5
100.07599	1.7
101.00886	0.8
103.03961	0.7
103.19476	0.4
105.03404	1.2
105.07024	0.9
108.08080	1.1
109.02851	1.1
110.06018	2.2
110.97591	2.3
112.99133	1.1
113.03452	0.8
115.03938	0.5
115.05454	0.6
116.07075	1.7
116.98616	2.2
117.03367	0.9
117.05714	1.5
119.01851	1.1
122.00583	0.6
123.06811	0.8
124.07559	0.6
127.03950	2.7
128.98599	1.8
130.06572	0.9
130.93263	0.6
131.00197	0.6
131.01935	0.6
132.08098	4.7
134.06018	3.8
136.07570	4.0
138.05513	0.9
143.00122	0.6
143.01875	0.8
145.01744	0.8
145.04951	1.2
146.08150	1.5
147.04430	1.5
147.05728	0.5
147.06795	4.0
148.07570	11.8
150.09131	7.4
152.07069	10.6
153.07846	1.2
154.93283	0.5
155.01817	0.8
157.03479	0.9
158.99672	2.2
160.07594	13.7
161.01195	0.8
164.07083	2.9
166.08653	1.0
168.03575	0.7
170.99678	0.9
172.02818	0.9
172.94365	1.7
174.97687	0.6
175.00906	0.5
177.00708	1.0
177.05562	0.6
178.06125	1.4
178.08635	40.4
180.10217	1.2
185.02940	0.5
186.99211	0.5
187.54202	0.7
190.95372	0.6
191.03772	1.0
196.02783	1.8
196.09694	70.8
196.54715	1.2
197.01274	0.9
200.93979	0.5
201.00642	1.0
214.03786	2.5
214.95447	1.3
219.01689	3.7
221.04968	0.7
226.08368	0.7
232.96513	0.9
237.02852	1.9
238.10815	0.6
244.05243	0.5
245.05145	1.4
248.99263	0.5
256.96558	0.9
259.04681	0.8
261.02814	0.6
268.56857	0.8
274.97537	1.5
277.05643	0.7
277.57394	1.5
286.07816	0.5
292.98407	0.7
293.05444	0.7
335.06598	0.8
340.13934	0.6
358.08676	10.1
358.14987	100.0
359.15305	0.9
371.13812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.279
Annotation	Dysolenticin G
Peak:m/z	Relative Intensity
53.03933	1.9
55.05508	4.5
57.07070	1.7
59.04980	2.6
59.48016	1.5
67.05514	13.5
69.07073	4.1
71.04990	2.3
71.55569	1.4
79.05505	7.1
81.06644	2.0
81.07066	20.2
83.08619	2.1
91.05479	5.9
93.07047	18.9
95.08617	34.9
97.06562	2.1
99.08103	2.3
102.21863	1.4
105.07035	13.3
105.26542	1.4
107.08604	31.4
109.06506	2.2
109.10165	47.7
111.08073	2.6
117.07050	2.4
119.07803	1.8
119.08602	23.6
121.06626	1.3
121.10148	16.6
123.08071	2.6
123.11738	8.8
131.08577	4.9
133.10161	16.9
135.08044	4.2
135.11690	12.6
137.09657	7.4
137.13235	4.1
139.11197	1.6
143.08539	2.4
145.10141	11.0
147.11717	9.5
149.09619	3.6
149.13255	6.4
151.11203	31.8
153.12744	2.2
157.10149	4.5
159.11714	12.5
161.13322	6.6
163.11174	4.7
163.14819	6.3
165.12747	6.9
167.14468	1.6
171.11737	3.4
173.13304	9.1
175.14809	2.9
177.12746	4.3
177.16394	2.6
179.14343	4.0
185.13281	2.0
187.14803	10.4
189.12767	1.6
189.16388	14.0
191.14334	15.6
193.15886	2.6
199.14792	3.0
201.16374	7.0
203.14365	3.1
205.15930	11.9
206.16696	17.2
207.17439	6.9
207.55812	1.6
211.14693	1.4
213.16396	3.9
214.59653	1.4
215.14293	2.2
215.17950	2.5
217.15906	1.8
219.17473	3.1
227.17889	2.3
231.17444	3.2
233.19099	2.6
245.19049	1.7
257.19046	1.6
269.18982	1.6
297.21985	1.5
297.25745	3.2
313.02509	1.4
315.26910	6.8
321.25879	4.8
339.26907	22.8
339.30676	2.6
357.27893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.3
58.99589	5.1
65.49791	5.1
67.05511	31.7
69.03420	8.6
69.07066	15.9
69.65997	5.4
70.34798	5.2
70.35157	19.9
71.04961	6.1
76.02220	16.3
79.05476	10.1
81.07057	50.4
83.08601	5.9
91.05473	12.6
93.07034	17.0
95.04979	11.1
95.08601	46.1
97.06519	6.9
101.08869	4.7
105.07027	14.5
107.04884	6.2
107.08595	16.9
109.06508	7.4
109.10181	36.5
111.04435	7.5
116.01631	7.1
117.07018	6.1
119.04958	8.0
119.08602	16.3
121.06459	7.1
121.10134	22.7
122.03608	4.9
123.08052	8.0
123.11721	14.1
125.05988	6.7
131.08531	5.0
133.10141	13.9
135.11710	14.4
137.05983	25.6
141.92000	4.8
145.06502	5.4
145.10133	9.6
147.04424	7.0
147.11696	8.5
149.06042	7.8
151.04015	6.1
151.07550	7.1
151.11201	5.2
151.14804	11.3
158.03671	5.7
159.11700	7.3
161.13263	10.2
162.02226	13.6
165.07054	6.5
165.09123	4.6
167.07141	7.9
173.06030	11.1
173.13184	4.8
175.11127	5.3
175.14813	6.3
177.07043	9.4
179.04878	26.2
179.14346	11.6
186.03093	5.3
187.14912	7.5
194.07317	15.9
201.05441	27.9
203.06972	6.2
203.89824	4.8
204.05933	5.8
205.06485	25.1
209.19009	9.2
211.07558	5.3
219.08119	7.8
221.05951	6.6
222.06769	25.0
223.07533	5.6
225.05641	6.5
233.05974	28.3
234.06639	6.4
237.09131	24.9
237.18451	10.2
247.07451	5.4
247.16995	17.0
249.05510	7.2
250.06232	32.2
251.07109	6.5
253.08496	4.8
264.07803	13.3
265.08582	48.0
265.17987	13.0
266.09482	6.0
274.59390	5.0
278.05551	9.2
282.08966	7.8
292.07208	28.3
293.08090	41.1
297.07971	4.8
297.11176	23.1
307.09683	63.7
310.08252	10.7
325.10712	100.0
326.11191	10.6
327.12341	9.4
357.13309	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	357.2058
Annotation	Kuguacin M
Peak:m/z	Relative Intensity
55.01872	2.3
55.05527	1.5
67.05499	4.9
69.07062	6.1
71.55618	2.2
71.55998	2.1
79.05495	8.0
81.07063	11.0
83.04998	2.2
91.05486	9.5
93.07050	17.2
95.04972	6.7
95.08605	7.1
97.06535	7.6
97.28439	1.6
103.05444	1.8
105.07009	8.4
107.04972	3.1
107.08610	11.1
109.06517	5.5
109.10176	3.2
117.07034	3.1
119.08575	12.3
121.06504	18.2
121.10190	3.8
123.08076	8.6
131.08577	9.0
133.06535	1.8
133.10130	4.7
135.08066	2.7
137.09599	2.2
141.06918	1.5
142.07823	2.6
143.08560	5.4
145.06490	1.7
145.10150	12.6
145.40569	1.7
147.08063	5.7
147.11726	3.2
149.09663	2.9
155.08553	4.5
156.09375	3.6
157.10139	10.4
159.08026	9.6
159.11700	4.5
161.09657	6.4
165.06950	1.6
167.08650	2.7
169.10178	6.3
170.10941	3.1
171.11725	7.7
172.08899	1.6
173.09665	16.0
173.13248	2.7
175.11220	5.3
177.09200	2.1
179.08604	2.8
181.10155	4.3
182.10916	5.0
183.08170	3.1
183.11748	3.4
184.08907	1.9
185.09628	9.2
185.13298	3.4
187.07578	2.0
187.11150	3.8
187.14845	1.7
189.09218	2.5
193.10162	1.6
195.08139	3.7
195.10025	1.8
195.11711	7.1
197.09636	4.7
197.13240	7.3
198.10489	3.4
199.11224	12.9
200.11996	8.7
201.09129	10.1
201.12782	5.5
207.11697	4.3
210.10376	3.6
211.11198	3.2
213.12762	12.1
215.14386	6.6
217.10251	1.7
217.12383	4.5
221.13512	2.1
223.14908	3.1
225.12810	11.2
231.11823	2.5
231.13803	12.2
233.13261	2.7
235.14781	2.0
239.14397	1.8
243.11336	2.5
243.13814	48.5
245.13370	1.5
247.14960	2.5
249.12830	2.3
249.16396	2.1
251.14380	2.0
251.17781	1.8
261.12598	1.9
261.14832	9.0
263.18039	2.0
275.18109	2.0
277.15906	2.1
293.19055	3.2
297.15024	1.8
303.17627	2.5
309.18567	3.6
310.27786	1.8
311.20071	4.3
321.18524	21.2
339.19559	17.0
357.20682	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1335
Annotation	Spiraformin A
Peak:m/z	Relative Intensity
53.22309	1.4
55.01879	2.3
55.05511	3.5
57.03455	1.5
58.99583	2.8
65.03938	1.8
67.05507	11.1
69.03442	2.1
69.07066	3.4
69.12008	1.1
69.34028	9.2
71.04984	3.1
76.02232	15.9
76.04040	1.2
79.05515	6.0
81.03427	2.5
81.07066	13.3
83.08624	3.0
85.02904	1.9
85.06534	1.5
90.52112	1.2
91.05486	9.9
91.42535	1.3
93.07053	5.8
94.29671	1.2
95.04976	2.8
95.08614	16.6
105.07037	5.8
107.04980	3.4
107.08599	3.1
109.02902	3.4
109.06506	2.1
109.10168	10.9
111.04459	1.4
115.05487	2.9
116.01698	6.7
117.07071	1.6
119.04958	5.5
119.08635	3.6
121.06504	1.5
121.10159	2.0
123.04498	1.4
123.08125	3.3
129.07076	1.3
130.04152	1.7
131.04939	1.4
131.08591	2.2
133.06538	2.5
133.10138	2.1
134.03696	1.6
135.04384	2.3
135.08096	1.5
135.11707	2.0
137.05978	22.7
137.09604	2.3
141.03380	1.2
143.04973	2.0
144.01157	2.5
145.06522	5.3
145.10219	1.3
147.04404	3.5
149.06017	4.6
150.06798	3.4
151.03926	4.7
151.14807	7.0
155.08658	1.3
158.03677	3.2
160.05264	1.3
161.06038	3.3
161.13246	1.8
162.02196	10.1
162.44243	1.2
165.07047	3.7
167.07111	2.2
171.11749	1.4
173.05988	8.8
174.06755	1.3
175.03941	4.5
175.07484	1.5
176.06212	3.7
177.05647	2.1
177.07022	9.1
178.07870	1.3
179.04869	19.0
179.14326	7.2
186.03128	12.3
191.07088	1.7
191.08603	1.8
193.06621	1.9
193.10126	1.6
194.07239	12.2
195.08003	1.4
201.05434	26.0
203.07054	3.2
204.05681	2.6
205.06491	32.8
205.08328	1.9
206.07315	2.3
209.09744	2.5
211.07552	1.8
219.08171	3.9
221.05975	8.8
221.09808	1.4
222.06776	22.4
223.07506	2.7
227.06941	2.4
233.05986	27.5
233.07971	1.9
234.06770	8.3
235.07722	2.4
236.08330	2.0
237.09088	25.8
239.07095	6.3
243.13937	2.2
247.07509	6.3
249.05453	8.8
250.06259	24.3
251.07027	7.2
253.04886	1.6
253.08640	1.5
254.05763	1.8
254.09612	1.2
261.05420	5.7
262.06345	1.5
263.07138	1.9
264.07855	10.0
265.08603	56.1
266.09439	5.0
267.06589	5.5
268.07468	1.2
275.07144	3.2
277.05093	4.3
278.05713	9.2
279.06989	2.0
279.10193	6.7
281.08267	1.8
282.08865	4.2
283.09982	2.8
292.07294	22.3
293.08105	45.6
293.11429	2.6
294.08881	1.8
295.06058	3.1
297.07932	1.2
297.11209	16.4
297.14331	1.7
307.09650	68.5
310.08313	6.6
315.12152	2.3
325.10718	100.0
326.11273	1.4
327.12466	2.3
339.08630	2.2
339.17239	2.8
357.13345	5.4
357.17657	3.0
357.20663	1.1
357.25345	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.8
55.05494	7.8
56.96568	27.8
57.03426	16.3
59.04986	12.7
61.02916	16.5
67.05534	4.0
69.03093	4.2
69.03432	57.4
69.07063	10.8
69.28687	35.5
69.80566	3.4
70.06597	20.9
71.04964	8.5
72.08154	4.5
73.02906	12.2
76.78890	3.4
79.04855	4.3
79.05473	16.5
81.03433	23.5
81.07045	17.4
83.04966	9.4
84.04498	7.0
84.08131	14.0
84.96002	7.0
85.02907	100.0
86.03243	4.8
87.04456	19.6
91.03949	5.6
95.04958	4.7
97.02885	46.1
97.06528	21.2
98.97583	75.3
99.04449	12.0
103.03934	6.1
105.03407	7.3
109.02863	17.3
110.07133	7.5
110.97575	17.5
112.07567	7.0
112.99110	7.9
116.98609	17.4
125.05985	28.4
127.00658	6.6
127.03920	31.9
128.98621	10.8
129.10190	5.0
130.08659	20.8
131.00148	4.8
136.68732	4.0
137.06021	5.9
140.98657	4.8
143.00163	4.4
143.07091	7.7
145.01730	10.2
145.02933	5.7
145.04953	18.4
147.04419	7.6
156.03311	35.9
157.08611	12.3
158.97530	4.4
158.99660	32.4
159.04961	23.0
161.08018	6.2
163.03859	15.1
168.03336	20.6
168.05415	10.3
173.01198	5.3
174.04347	16.7
174.55205	5.1
175.02890	4.9
177.00705	12.3
181.04335	24.6
186.04390	75.4
187.02769	6.5
187.06041	6.5
189.00667	4.9
189.04158	4.1
190.04944	90.4
190.55017	11.8
196.06728	7.5
199.02788	8.5
199.05458	12.8
201.00735	17.3
204.05460	33.1
205.03848	8.6
205.07123	6.1
213.04269	4.5
215.00043	4.7
217.03751	5.0
219.01750	59.7
223.05296	5.2
228.05458	35.8
229.03709	6.1
231.05438	6.3
234.98993	10.6
237.02847	46.7
244.05952	12.2
245.58372	21.8
246.06268	19.6
246.08688	6.7
253.06516	13.0
254.06966	4.3
262.07031	30.6
271.04913	4.9
276.08569	5.0
279.10193	12.8
281.09274	3.7
289.05951	15.5
292.68356	4.5
293.05704	5.7
297.11270	34.5
303.09091	14.4
305.03156	9.7
305.08844	17.3
307.07101	10.6
314.09390	13.4
319.07089	57.3
326.10983	5.0
334.09109	7.8
335.04184	18.8
337.08054	36.7
357.11771	24.1
357.21674	7.2
361.07867	7.9
363.75031	4.3
375.09653	6.1
377.05359	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	356.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
53.97239	1.3
55.01862	5.5
57.03426	6.3
58.87268	1.3
60.36542	1.2
61.02935	6.9
67.05490	2.2
69.03431	33.2
70.06591	3.9
71.01350	1.2
71.04990	4.2
71.54236	1.4
73.02923	7.5
73.06554	16.2
79.05473	1.5
81.03421	27.5
84.04459	1.3
85.02908	100.0
87.00834	44.7
91.03947	2.2
95.08596	4.5
97.02897	31.3
97.06528	20.4
99.04460	12.3
100.07596	2.8
101.02354	1.6
105.01871	83.7
108.04446	2.3
109.02889	24.1
113.09644	4.8
117.01854	1.9
117.03405	1.6
122.06030	2.2
127.03924	69.6
128.07069	2.0
129.01822	3.3
134.05968	1.4
135.04399	2.5
137.05980	2.3
145.04965	32.6
146.03241	2.3
147.02885	1.5
147.04422	2.9
159.02917	10.9
159.10240	1.6
163.03920	8.5
164.04230	9.9
166.05037	2.7
171.02945	1.6
176.03392	1.7
177.05435	3.3
177.11258	1.7
189.03973	3.7
193.04878	1.9
194.04480	2.5
194.08118	1.7
194.11768	1.5
199.09650	2.5
204.14078	1.3
213.03935	5.1
231.05002	20.3
244.16368	1.6
245.63004	1.4
249.06039	10.1
264.35144	1.4
274.10461	1.6
292.11737	3.0
303.10883	1.5
320.11328	2.6
338.12012	1.9
338.19598	2.7
356.13220	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	357.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.8
55.05494	7.8
56.96568	27.8
57.03426	16.3
59.04986	12.7
61.02916	16.5
67.05534	4.0
69.03093	4.2
69.03432	57.4
69.07063	10.8
69.28687	35.5
69.80566	3.4
70.06597	20.9
71.04964	8.5
72.08154	4.5
73.02906	12.2
76.78890	3.4
79.04855	4.3
79.05473	16.5
81.03433	23.5
81.07045	17.4
83.04966	9.4
84.04498	7.0
84.08131	14.0
84.96002	7.0
85.02907	100.0
86.03243	4.8
87.04456	19.6
91.03949	5.6
95.04958	4.7
97.02885	46.1
97.06528	21.2
98.97583	75.3
99.04449	12.0
103.03934	6.1
105.03407	7.3
109.02863	17.3
110.07133	7.5
110.97575	17.5
112.07567	7.0
112.99110	7.9
116.98609	17.4
125.05985	28.4
127.00658	6.6
127.03920	31.9
128.98621	10.8
129.10190	5.0
130.08659	20.8
131.00148	4.8
136.68732	4.0
137.06021	5.9
140.98657	4.8
143.00163	4.4
143.07091	7.7
145.01730	10.2
145.02933	5.7
145.04953	18.4
147.04419	7.6
156.03311	35.9
157.08611	12.3
158.97530	4.4
158.99660	32.4
159.04961	23.0
161.08018	6.2
163.03859	15.1
168.03336	20.6
168.05415	10.3
173.01198	5.3
174.04347	16.7
174.55205	5.1
175.02890	4.9
177.00705	12.3
181.04335	24.6
186.04390	75.4
187.02769	6.5
187.06041	6.5
189.00667	4.9
189.04158	4.1
190.04944	90.4
190.55017	11.8
196.06728	7.5
199.02788	8.5
199.05458	12.8
201.00735	17.3
204.05460	33.1
205.03848	8.6
205.07123	6.1
213.04269	4.5
215.00043	4.7
217.03751	5.0
219.01750	59.7
223.05296	5.2
228.05458	35.8
229.03709	6.1
231.05438	6.3
234.98993	10.6
237.02847	46.7
244.05952	12.2
245.58372	21.8
246.06268	19.6
246.08688	6.7
253.06516	13.0
254.06966	4.3
262.07031	30.6
271.04913	4.9
276.08569	5.0
279.10193	12.8
281.09274	3.7
289.05951	15.5
292.68356	4.5
293.05704	5.7
297.11270	34.5
303.09091	14.4
305.03156	9.7
305.08844	17.3
307.07101	10.6
314.09390	13.4
319.07089	57.3
326.10983	5.0
334.09109	7.8
335.04184	18.8
337.08054	36.7
357.11771	24.1
357.21674	7.2
361.07867	7.9
363.75031	4.3
375.09653	6.1
377.05359	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	355.2844
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03962	3.1
55.05516	35.1
57.03438	9.0
57.07085	11.8
67.05511	86.2
69.03416	2.5
69.07079	39.0
71.08629	8.7
71.19633	3.4
71.19969	2.7
74.14957	1.7
79.05502	28.7
81.03429	3.5
81.07063	100.0
83.04993	4.0
83.08631	28.3
85.06528	3.8
85.10185	3.7
91.05500	22.7
93.07059	30.6
95.08616	88.1
97.06537	7.5
97.10163	17.9
99.08097	5.2
103.03954	2.9
105.07035	16.2
107.08599	24.3
109.06504	2.5
109.10168	53.0
111.08108	7.5
111.11701	5.3
119.08588	13.6
121.10159	29.0
123.11718	25.3
125.09686	4.6
125.13286	2.5
129.05507	2.5
133.10141	20.2
135.11713	17.7
137.13231	12.6
141.12747	3.2
147.11710	15.3
149.13278	16.5
151.14835	6.8
155.14322	2.7
156.51698	2.0
161.13226	17.6
163.14864	15.1
165.12794	2.2
165.16426	9.6
169.15958	1.8
175.14850	12.0
179.17986	5.2
181.15976	4.1
189.16394	7.7
193.15970	2.2
245.22691	63.0
263.23724	69.2
281.24680	2.2
315.15784	2.0
337.27429	49.7
355.28342	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	355.2846
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
51.47330	2.2
53.03947	3.6
55.01879	2.7
55.05513	29.4
57.03431	8.0
57.07073	16.4
60.42534	2.5
67.05509	87.9
68.07780	2.9
69.07071	42.5
71.04974	2.8
71.08623	7.8
71.55283	3.7
79.05504	26.5
79.28083	2.4
81.07066	100.0
83.04985	2.9
83.08629	32.5
85.06533	3.8
85.10202	4.5
91.05482	26.1
93.07056	32.3
95.04977	2.5
95.08612	96.6
97.06538	8.2
97.10186	21.6
105.07042	26.9
107.08603	31.9
109.06512	4.0
109.10165	49.0
111.08029	2.8
111.11736	7.1
113.09683	3.5
119.08589	23.1
121.10149	37.4
123.11704	25.5
125.13262	3.5
133.10136	30.0
135.11707	14.1
137.13261	8.9
139.11177	2.8
143.08563	3.4
145.10089	3.8
147.11679	13.2
149.13263	13.4
151.11278	2.9
151.14763	5.2
152.76100	2.5
154.31880	2.6
155.14343	2.9
161.13263	19.0
163.14842	16.1
165.16399	8.3
171.11610	3.5
173.13268	4.1
175.14854	11.0
179.17987	5.2
189.16370	7.1
191.17923	8.9
203.17952	2.7
205.19560	2.9
220.08167	3.3
235.57410	2.5
245.22678	56.4
263.23715	60.7
281.24857	2.6
337.27356	35.2
355.29300	15.6
355.34137	5.9
356.35336	14.7
371.69339	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	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78792	5.3
55.05519	29.8
56.05936	5.5
56.43736	5.0
56.86949	6.7
56.96563	50.3
57.07076	13.0
58.48384	5.3
67.05511	36.2
69.07075	41.6
70.98115	12.2
71.05000	10.2
74.15777	7.9
74.19147	4.9
74.73188	5.1
75.41893	5.3
79.05495	19.2
81.03417	11.3
81.07058	81.7
83.04972	19.4
83.08610	26.5
85.06548	9.3
91.05471	16.8
93.07039	46.2
95.04938	14.0
95.08618	66.7
97.06544	20.2
97.10182	11.8
98.21505	14.6
98.97580	13.9
105.07034	28.3
107.08622	44.4
109.06551	15.7
109.10188	34.8
111.08072	9.2
111.11690	6.6
116.98676	6.7
117.07013	7.7
119.08575	28.1
121.10135	25.6
123.08089	8.0
123.11745	33.4
131.08551	14.4
133.06502	6.6
133.10138	12.8
135.11694	17.9
137.09557	8.3
137.13266	16.0
139.07549	6.1
141.09167	6.9
143.08598	6.9
145.10071	9.5
147.11665	17.0
149.13278	21.5
151.11182	11.7
153.68059	7.0
157.01773	10.0
157.10065	12.3
159.11632	6.5
161.09673	8.5
161.13304	12.2
169.10193	9.2
171.11682	6.8
175.02806	25.6
179.14339	7.5
181.10088	8.0
183.11732	8.1
193.03911	11.1
193.12532	7.0
195.57689	7.3
197.15265	7.3
201.05598	6.8
213.12715	11.0
223.24117	5.9
227.18056	8.8
235.20544	17.7
245.08336	9.5
245.18991	7.4
253.21675	19.1
254.08812	14.0
263.09476	17.8
263.20038	21.4
263.59695	9.4
274.60297	9.5
274.88794	6.4
275.10281	6.2
281.21127	100.0
297.12723	7.7
319.26312	18.7
355.06903	8.3
355.12781	9.9
355.17136	24.1
355.18915	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.4
57.13899	2.3
59.76389	2.7
73.92249	2.6
79.05478	3.6
81.07042	6.1
83.04985	7.1
91.05471	8.8
94.03474	2.8
105.06980	2.4
107.04929	5.1
109.06490	2.9
119.08610	3.9
122.03687	3.2
128.06210	5.4
129.07005	14.4
131.04945	3.8
131.08600	6.1
133.06456	3.3
133.10155	3.1
135.04449	3.6
136.05209	14.6
137.05984	60.2
139.76215	2.7
141.07001	3.4
143.08574	6.0
144.05739	5.1
145.06549	3.6
147.11707	3.0
151.07552	100.0
157.06561	16.2
157.10182	3.0
158.07236	6.4
165.05513	2.9
171.08043	5.9
172.05194	7.2
173.05960	4.4
174.06760	26.3
175.07513	11.0
177.05455	3.6
179.07002	6.6
187.07549	67.0
188.08325	8.0
189.09091	31.3
199.07538	4.8
201.09114	27.8
202.07889	2.7
203.10655	10.9
207.07991	3.9
213.09132	3.4
213.12801	3.9
215.08665	2.8
217.08598	56.8
219.08084	6.7
225.09030	3.4
231.08063	6.3
231.10194	15.2
233.09593	7.4
234.10352	2.8
235.07433	4.0
245.09593	3.7
246.10379	5.3
247.07501	7.1
248.08292	4.8
249.09084	7.4
251.10735	3.8
253.08557	7.5
254.09309	7.4
261.09015	14.5
262.09943	8.7
263.07025	4.1
263.10745	7.6
264.07739	3.8
265.12399	2.7
267.10181	4.4
269.13177	3.2
270.08914	8.7
274.09927	3.7
275.10611	3.1
276.07745	3.7
277.08588	3.7
277.12192	7.8
278.09329	4.1
279.10052	13.7
280.11060	3.1
285.11261	19.4
290.09409	4.0
291.10126	19.6
293.11639	9.3
294.12534	7.5
295.09662	6.1
305.11673	23.7
306.12524	22.5
307.09695	14.0
307.12930	3.2
310.12054	36.9
312.15210	3.4
322.12131	7.3
325.14426	32.0
337.14331	75.9
355.15485	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1024
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
53.03949	0.3
55.01903	0.3
59.04990	0.6
64.97491	0.3
67.05482	0.4
70.06566	0.3
70.93751	0.7
81.03429	0.5
85.02914	0.8
87.04460	0.3
91.05473	1.0
97.02892	0.6
98.97556	0.2
103.05450	0.6
105.03410	0.5
105.07030	0.5
109.06508	0.4
117.03356	0.6
119.04911	0.8
121.06502	0.4
122.03656	0.9
122.06056	1.5
125.78648	0.3
133.02859	16.1
135.04413	0.4
136.92207	0.3
137.05977	5.3
147.04420	0.8
149.05997	2.3
150.03108	0.6
150.05505	0.9
151.03882	0.3
161.02295	0.3
161.05966	0.5
162.06763	0.8
163.03912	1.0
164.07057	0.3
165.05495	1.6
173.05930	0.3
175.03914	0.9
177.05498	0.5
178.02614	9.2
181.04991	0.8
188.09137	0.3
189.05444	1.0
189.07030	0.3
193.04968	100.0
194.05270	0.7
201.05501	4.6
205.04919	3.0
207.06535	0.5
208.06940	0.7
217.04942	0.7
231.06509	0.9
233.05998	0.3
234.06615	0.5
235.05960	2.5
259.06009	0.9
262.06232	0.5
265.08807	0.4
271.06128	0.5
277.08545	0.6
283.05923	0.5
289.07037	0.7
290.05856	0.4
301.07071	0.9
305.08063	0.8
319.08176	0.6
323.09195	1.6
325.10437	0.5
337.10577	1.1
338.12051	0.3
355.14383	0.5
355.18411	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3368
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
53.50565	0.5
55.05517	5.1
56.05039	0.8
57.05827	1.0
57.07085	6.6
57.45728	0.5
58.02958	1.4
58.06606	13.6
58.67780	0.5
60.04530	2.7
67.05511	3.5
69.07076	9.7
70.02952	1.8
70.06599	2.7
71.04994	1.3
71.08635	5.6
72.04508	1.2
72.08167	0.6
74.06068	1.6
79.05500	1.2
81.07059	7.7
82.06570	0.9
82.07365	0.6
83.04974	1.0
83.08627	8.6
84.08153	3.4
85.10183	1.7
86.06082	4.1
87.06858	1.3
93.07032	1.5
95.08057	0.8
95.08615	9.7
97.06559	1.0
97.10175	5.1
98.09690	0.8
107.08571	1.6
108.08040	0.6
109.06588	0.7
109.10183	4.3
111.11742	2.8
121.10151	0.8
122.05679	0.5
123.11742	2.6
125.13263	1.2
137.13290	1.2
148.18451	0.5
149.13307	0.5
193.40471	0.5
198.22124	0.6
268.30103	1.0
294.31494	1.5
306.31567	2.2
307.30008	2.2
308.33099	2.2
318.31699	0.6
326.34192	3.3
336.32639	9.2
337.31100	1.6
354.33685	100.0
355.33908	0.9
363.81073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
55.01877	1.3
56.96561	3.2
57.03436	3.1
61.02926	3.9
67.38744	1.2
68.98267	1.2
69.03440	13.0
71.04993	2.0
71.54386	1.6
73.02903	2.2
79.31497	1.0
80.03053	1.1
81.03423	4.9
81.19196	1.2
82.99840	7.6
85.02917	24.6
86.99308	1.8
90.95888	1.3
91.03986	1.3
95.04926	1.5
97.02901	12.6
98.97590	8.3
99.04440	2.1
101.00890	52.8
105.00335	1.4
109.02881	4.0
110.97576	2.1
111.73949	1.3
112.99161	1.2
113.00884	8.5
115.02458	2.8
116.98667	1.3
119.01929	56.4
122.06042	1.9
127.00744	1.1
127.02419	4.2
127.03912	6.2
128.04236	1.7
128.98598	1.7
131.01924	15.6
133.03444	2.2
135.04411	2.5
137.00819	3.0
137.02940	4.2
139.02460	3.1
143.01910	41.5
144.02034	2.0
145.01761	1.8
145.03462	13.3
145.04955	3.4
147.04366	2.1
153.03926	1.4
155.01904	25.7
155.03116	2.3
157.03493	12.8
158.99652	1.9
159.01500	2.2
161.02969	57.3
163.03844	5.8
164.07162	1.3
167.01926	4.7
169.03564	3.4
173.02988	22.5
175.04553	5.1
177.00740	1.5
179.01898	7.6
179.04021	1.4
181.03490	1.4
183.05052	1.7
184.04822	3.5
185.02968	21.3
186.02937	1.3
187.02866	1.6
187.04509	7.0
191.03922	1.7
193.05504	2.1
197.02966	28.9
203.04039	15.3
205.03668	4.1
209.02905	1.6
210.03703	1.5
215.04060	4.1
217.03629	2.2
219.01759	3.0
221.03157	1.6
221.05066	6.0
223.04587	4.5
227.04034	5.5
229.03418	1.7
235.04536	20.0
245.05087	52.3
245.10344	1.6
246.05341	4.1
247.04659	5.4
253.05557	12.2
261.02866	1.3
263.06262	8.1
263.11234	2.0
264.06525	1.4
265.05823	3.7
273.57608	1.8
283.06528	2.1
283.92368	1.5
311.13141	1.7
313.07855	8.1
331.08612	2.2
335.08133	1.4
355.08731	100.0
355.12161	4.3
356.09158	1.5
366.09158	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2639
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
53.03960	1.3
55.01881	1.6
55.05518	7.1
55.82603	1.3
57.03437	4.8
62.06094	100.0
67.05505	10.8
69.07066	7.5
69.24510	12.7
71.04993	5.0
79.05499	14.6
81.07070	14.5
82.06580	1.3
83.04987	4.8
83.08627	2.3
84.82473	1.2
85.06538	1.7
91.05489	8.4
93.07047	16.1
95.04974	3.1
95.08621	11.3
96.08154	1.9
97.06556	4.6
97.10195	1.8
98.06063	5.4
98.20748	3.1
100.15501	1.3
105.07048	9.9
107.08616	9.4
109.06498	2.2
109.10172	4.8
111.08101	5.4
117.07015	3.3
119.08581	6.7
121.10160	7.2
124.11239	2.5
125.09641	1.4
129.07080	1.5
131.08575	5.0
133.10147	5.8
135.08141	1.3
135.11723	1.4
138.12823	6.0
139.11259	1.9
143.08543	2.0
145.10146	5.7
147.11699	3.3
149.09579	2.0
157.10170	2.7
159.11714	4.6
161.13222	2.3
169.10182	1.3
171.11742	2.7
173.13261	3.6
184.13333	3.5
185.13327	1.6
187.14748	1.7
189.12849	1.5
191.16898	1.4
196.13419	4.5
199.20735	1.4
210.14961	14.9
214.14447	2.9
228.15962	16.8
239.17937	2.2
248.20137	1.5
257.18948	3.1
266.21121	6.4
275.20154	7.8
280.22891	2.2
318.24304	12.7
336.25360	81.6
337.23633	2.6
354.22052	2.2
354.26419	30.1
355.16913	1.6
355.26538	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.05512	1.0
57.03430	1.7
61.02936	0.9
67.05490	1.0
69.03445	1.4
69.07082	0.8
70.84286	1.2
70.84592	1.1
71.04989	0.9
71.41000	0.8
71.64689	0.8
79.05496	3.1
81.03397	0.9
81.07056	5.4
83.08617	3.0
85.02895	3.3
85.06540	5.6
91.05468	2.0
93.07044	12.8
97.06535	73.0
99.59497	0.9
102.45997	0.8
109.06551	4.6
111.08086	8.4
113.05976	1.5
121.06493	1.9
127.07566	19.3
127.08495	1.9
139.07542	14.8
157.08614	100.0
163.03847	0.9
175.09663	19.8
207.85449	0.8
208.52739	0.9
236.37837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16937	0.5
55.47591	0.5
56.69054	0.6
59.97189	0.5
61.99304	0.6
62.06071	0.6
69.03424	1.0
69.07047	0.6
70.02923	1.7
70.06532	0.5
70.07397	1.9
71.04956	0.7
71.79552	0.6
72.04497	2.0
73.02906	2.2
79.05470	1.1
81.03435	0.6
84.04490	0.5
85.02899	2.8
87.04474	13.3
88.03971	1.6
91.05486	9.8
93.07051	1.3
97.06526	0.6
98.21467	0.7
99.04436	1.7
100.03954	1.7
101.04773	3.6
101.51762	0.5
103.03963	2.9
103.05460	7.1
105.07031	8.5
107.04940	3.2
109.02854	0.9
115.05417	0.7
117.03377	0.6
117.05732	1.5
117.07020	8.5
118.06558	3.8
119.04983	3.1
119.07313	1.7
119.08587	0.8
120.08116	3.3
127.03908	1.6
127.07554	0.7
128.06236	0.9
129.07014	6.3
130.06523	1.1
131.04942	6.5
131.07259	1.3
133.02925	0.7
144.08151	0.8
146.09659	46.4
147.04427	2.8
148.04759	0.7
149.05983	0.7
150.09154	0.9
151.03961	0.5
157.08644	1.0
157.12254	0.6
157.52188	0.6
159.09203	0.8
160.09578	0.7
164.10722	34.6
171.06639	0.8
174.09154	4.2
175.03914	3.8
188.09012	0.9
192.10199	100.0
193.04997	3.7
193.10497	1.2
201.05411	0.6
201.10271	1.3
202.10605	2.1
207.06552	8.0
208.06894	0.8
210.11249	8.0
216.08447	0.8
228.08389	0.7
229.09602	1.1
230.10080	5.8
231.08472	0.8
241.06824	0.6
248.11053	0.7
249.09657	0.8
252.64922	0.6
255.08521	0.9
257.09122	0.7
258.09567	5.5
259.10233	1.0
275.10382	0.8
276.10641	2.3
292.15509	1.1
308.15027	3.0
318.11591	0.9
336.12686	6.6
354.15472	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	354.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.4
57.03431	1.9
57.88927	1.3
67.05493	4.1
69.03434	2.2
69.07066	1.8
70.06570	3.0
71.55515	2.7
72.08139	2.4
81.07048	3.8
82.07355	1.6
83.47061	1.4
84.08125	2.7
85.02901	2.2
85.06538	3.9
86.06857	1.6
91.05495	9.5
93.06972	1.7
94.06577	6.1
95.08613	1.7
97.02895	1.5
97.06548	1.8
103.05482	1.9
105.07002	2.3
106.06527	2.1
119.04911	10.5
119.70394	1.4
120.08097	1.9
122.06026	12.2
124.07571	5.0
130.06528	100.0
132.08076	5.2
134.06021	40.3
135.09189	1.7
136.07594	15.2
137.05959	5.1
138.05516	1.8
138.13582	1.7
139.11139	1.7
140.07066	4.0
146.05989	6.4
147.04387	8.8
148.07524	2.0
149.07033	2.9
150.05511	91.5
152.07068	74.9
152.08084	1.3
154.08629	3.4
155.14363	1.8
156.14656	3.0
158.08406	5.3
159.09167	13.6
161.05894	2.1
161.07074	7.6
162.06706	2.6
162.07896	2.6
163.08672	44.6
164.07042	4.9
169.07544	2.6
174.15733	2.0
175.03938	13.4
176.33784	1.7
177.05444	1.7
180.07985	3.5
181.09749	8.4
186.03175	1.6
188.07132	2.6
192.10228	1.6
192.16830	2.5
200.86627	1.6
201.05472	12.1
205.09769	3.5
206.08443	1.7
207.06299	22.4
217.04916	1.8
218.05394	2.2
221.10744	3.6
225.08719	37.8
232.10089	2.3
237.08620	2.4
247.12308	2.3
248.09456	2.0
249.10254	25.2
260.09430	2.2
263.11856	10.6
265.09448	1.5
267.11328	13.5
275.11801	27.4
277.08649	2.7
279.11328	11.9
280.11963	4.7
281.12851	52.3
290.12231	8.9
292.14468	26.6
293.12857	24.9
307.09720	1.6
310.15497	40.8
318.11951	1.8
319.09967	1.5
323.09143	4.2
336.12811	11.0
337.10956	2.5
348.33231	1.6
354.14487	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1184
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03960	0.4
57.03426	0.7
61.02921	1.0
67.05501	0.5
69.03413	1.5
69.07053	0.6
70.32936	0.3
70.55975	0.7
70.56336	0.8
72.57602	0.3
73.02895	0.4
81.03419	0.9
83.04977	0.4
85.02912	3.2
87.04461	0.9
91.05487	2.1
94.06576	3.4
97.02879	1.0
98.20815	0.4
99.04395	0.4
111.08118	0.5
111.33602	0.3
115.07552	1.5
115.59765	0.4
118.06551	6.2
119.04918	0.8
122.06031	3.8
127.03937	0.8
127.93278	0.3
129.09169	0.8
134.06050	0.9
136.07582	0.6
139.07549	0.7
143.63481	0.3
145.05084	0.6
145.45209	0.3
146.06017	16.7
147.06802	0.9
150.05504	0.8
157.08597	1.3
162.05501	0.9
164.07098	5.4
174.05516	100.0
175.03885	0.5
175.06242	0.8
175.09668	1.5
176.07065	0.7
192.06566	53.1
192.10167	1.1
194.51553	0.4
206.54016	0.4
207.06560	1.5
224.19525	0.4
336.10892	1.2
354.11844	60.4
355.12070	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01869	1.5
55.05506	1.1
57.03431	1.7
58.35655	0.4
61.02906	0.6
67.05500	1.2
68.02203	0.4
69.03428	1.9
69.07071	0.8
70.06594	1.0
71.04996	0.9
71.54254	0.6
72.00188	0.4
72.08150	0.6
73.02913	1.4
78.95052	0.4
79.05468	0.4
80.05037	0.4
81.03448	1.0
83.05001	2.0
83.05403	0.4
84.04495	1.0
85.02917	4.5
86.09726	0.7
87.04463	1.0
91.05492	4.2
93.07065	1.2
94.06577	4.1
95.04958	0.7
97.02893	1.7
97.06540	0.8
99.04451	0.7
101.37064	0.4
107.04981	0.4
110.07147	0.9
111.08088	5.7
115.07582	4.0
116.42216	0.4
117.05784	0.6
118.06554	6.0
119.04959	2.9
119.08662	0.5
120.08135	0.6
122.06047	4.2
123.32538	0.5
124.30697	0.4
127.03929	0.7
129.09135	7.9
134.05989	0.6
135.04410	0.5
136.07576	0.9
139.07549	11.3
145.05067	0.4
146.06020	16.5
147.04422	2.1
147.06783	1.2
148.04831	0.4
150.05557	1.2
157.08617	16.9
162.05527	1.5
163.03928	3.3
164.07088	5.8
174.05522	100.0
175.03912	3.2
175.06252	0.7
175.09685	5.2
176.07048	1.0
192.06569	53.8
192.10181	1.2
193.04953	0.4
207.06549	6.8
230.10081	0.4
234.07603	0.4
272.11078	0.7
306.07742	0.4
336.10498	0.6
336.12927	0.5
346.99710	0.4
354.11859	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.05514	12.7
57.03422	3.2
57.07074	5.5
67.05511	67.0
69.06728	1.4
69.07075	14.2
69.46983	5.2
69.47389	2.9
71.04981	3.0
71.08629	2.1
75.04447	1.6
79.05498	37.7
81.07062	80.7
83.04987	1.3
83.08607	7.9
85.06554	2.7
91.04963	1.9
91.05485	20.8
93.06477	2.5
93.07050	50.9
95.04967	3.1
95.08615	56.2
97.06520	2.8
97.10168	3.8
97.25230	1.0
99.08081	3.1
105.07034	13.4
107.08603	35.3
109.10163	35.5
111.08091	1.7
113.09664	1.6
117.07025	7.6
119.07825	1.3
119.08614	16.2
121.10152	26.6
123.08082	2.2
123.11713	17.8
125.09630	1.2
131.08571	19.1
133.01782	1.2
133.10126	13.6
135.11708	24.9
137.09607	1.6
137.13263	8.0
139.11180	1.4
141.07022	1.2
143.08540	2.2
145.10135	16.4
147.11702	10.5
149.09587	1.3
149.13266	20.6
151.11148	1.3
151.14830	1.6
153.12714	1.2
157.10098	1.6
159.11725	16.2
161.13255	7.0
163.11163	2.1
163.14845	12.9
165.12732	1.5
169.10141	1.6
171.11768	2.1
173.13278	18.5
175.14832	4.5
177.16391	4.7
185.13261	1.7
187.14838	9.7
189.16316	3.2
191.14262	1.9
191.18045	1.5
195.11642	1.2
199.14944	1.5
201.16402	4.6
205.15921	1.5
215.17981	1.4
219.17438	1.8
227.12692	1.3
233.22583	4.6
241.45305	1.1
243.21112	28.1
261.22168	100.0
263.23727	1.7
279.23206	4.9
317.24927	1.6
335.25812	8.7
353.26984	35.2
362.94708	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.23982	2.5
54.30713	2.7
55.05508	10.3
57.03439	4.6
57.07080	3.5
59.53650	2.8
65.85787	2.7
67.05507	85.4
69.07069	9.5
69.59357	12.4
69.59768	5.6
70.39563	2.5
71.05046	2.7
72.77453	2.5
79.05498	39.5
81.07059	87.3
83.08637	8.3
85.32685	2.5
91.05479	18.6
93.07053	49.4
95.08056	5.4
95.08616	68.0
97.06515	3.5
97.10168	5.8
105.07043	13.1
107.08596	33.3
109.10165	37.9
111.08112	2.9
114.98253	2.7
117.07050	6.0
119.08614	16.5
121.10161	27.9
123.11718	22.4
131.08591	17.8
133.10129	14.5
135.11702	24.4
136.07973	2.8
137.09607	2.9
137.13252	10.6
142.24399	2.5
145.10161	14.0
147.11671	9.7
149.13249	19.3
151.14859	4.4
152.18585	3.1
159.11716	15.1
161.13280	8.3
163.14828	11.2
173.13211	14.3
177.16420	4.2
187.14838	13.2
201.16438	5.4
215.18089	3.1
233.22615	5.6
243.21104	24.6
261.22159	100.0
279.23239	8.2
335.25690	16.6
353.26758	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03931	3.0
55.01886	6.3
55.05268	3.1
55.05518	38.1
56.99630	2.4
57.03434	15.1
57.07078	9.5
67.05509	80.6
69.03460	3.3
69.07072	42.4
69.35757	20.3
71.05002	5.8
71.08640	41.0
77.82699	2.4
79.05495	44.8
81.07065	95.7
83.04984	7.7
83.08626	21.2
85.06551	6.9
91.05494	19.7
93.07054	47.3
95.04990	3.3
95.08612	60.7
95.09168	4.7
97.06545	7.6
97.10184	20.8
99.08092	33.4
105.07052	15.9
107.08602	38.8
109.06541	2.8
109.10165	33.4
111.08108	5.6
111.11729	2.9
113.09733	3.1
117.07011	6.9
119.08589	12.9
121.10165	24.5
123.11720	12.3
125.09615	15.2
131.08575	14.3
133.10173	8.1
135.08096	5.2
135.11708	23.0
137.13237	3.9
145.10092	13.1
147.11696	20.8
149.13310	10.8
151.14824	2.9
153.12749	6.6
155.08553	3.6
157.10184	3.8
159.11760	4.2
161.13304	8.7
163.14833	10.3
165.12793	7.5
169.10226	3.0
173.11987	2.9
173.13315	10.4
174.13651	4.1
175.14966	3.1
177.16478	2.7
181.15953	5.5
187.14919	4.9
189.11334	10.2
233.22731	4.7
243.21252	12.2
244.17691	3.2
245.18117	2.9
261.22168	38.9
279.23218	36.4
335.25888	3.8
353.19595	16.9
353.27008	100.0
376.26968	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01867	1.0
55.05510	11.2
57.03438	5.4
57.07071	2.9
59.05030	0.9
65.03938	3.0
66.55541	1.0
67.05510	71.3
69.07074	9.4
71.04978	2.1
71.08632	1.3
75.04453	1.5
79.05496	38.3
81.07063	79.0
83.07061	1.1
83.08632	8.1
85.06519	2.1
85.10175	1.3
91.05481	20.8
93.07050	52.5
95.04948	2.2
95.08611	60.6
97.06522	2.2
97.10170	3.3
99.08129	1.9
105.04517	1.3
105.07036	17.9
107.08600	35.6
109.06541	1.3
109.10159	33.6
111.08112	1.0
111.11706	1.2
113.09641	2.4
117.07042	9.2
119.06044	1.1
119.08585	12.5
121.10146	30.3
123.08092	1.3
123.11723	16.8
125.09658	1.3
131.08574	17.9
133.10135	12.6
135.11690	24.4
137.13277	7.3
139.11162	1.6
145.10144	14.3
147.11705	12.0
149.13264	20.2
151.11156	1.4
151.14857	2.6
153.12769	2.3
159.11705	13.0
161.13242	9.7
163.11215	0.9
163.14807	11.6
165.12752	1.7
173.13272	14.0
175.14841	3.5
177.12683	1.2
177.16373	4.3
179.14336	1.0
187.14859	8.4
191.14319	1.5
201.16367	1.9
205.15881	1.6
217.19586	1.0
219.17508	1.2
233.22702	3.3
243.21100	27.1
261.22159	100.0
263.23734	1.4
279.23132	3.5
335.25763	8.6
353.26883	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.05515	15.4
57.03429	4.7
57.07066	3.5
62.82170	1.0
65.03950	2.9
67.05508	79.5
69.07074	10.0
71.05022	2.3
71.08622	1.5
75.04469	1.7
79.05498	42.5
81.07060	85.6
83.04976	1.0
83.08628	6.1
85.06531	3.6
88.22357	1.2
90.75288	1.0
91.04959	2.0
91.05484	22.6
93.07050	57.0
95.04974	2.3
95.08609	68.9
97.06516	1.8
97.10155	3.5
98.97520	1.4
99.08108	2.3
105.07032	17.9
107.08601	35.1
109.06531	1.6
109.10158	32.8
111.08065	1.7
117.07023	8.8
119.08588	15.2
121.10146	32.0
123.11715	20.1
125.09642	1.7
131.08580	22.6
133.10143	12.3
135.11703	27.7
137.13274	6.4
139.11154	1.2
143.65178	1.2
145.10127	16.8
147.11708	10.7
149.13264	19.6
151.11272	1.3
151.14737	1.5
153.12862	1.8
159.11722	14.1
161.13280	11.5
163.11218	1.2
163.14854	12.1
165.12714	1.7
167.14285	1.7
173.13269	17.6
175.14798	3.6
177.16417	5.8
184.50819	1.2
187.14815	11.2
189.16368	1.3
191.14319	1.4
201.16357	3.0
205.15843	1.9
219.17303	1.5
233.22606	4.3
243.21115	26.1
261.22153	100.0
262.22626	1.7
279.23251	3.1
321.61380	1.3
335.25800	8.6
353.26923	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.98965	2.1
51.76249	2.5
52.81942	2.2
53.03934	3.0
53.36547	2.3
55.05515	11.1
57.03432	7.4
57.07073	3.0
59.80275	2.1
59.89893	2.1
65.03950	2.7
67.05511	91.5
69.07063	8.8
69.29991	14.0
69.30408	8.5
69.76070	2.3
74.95709	2.4
75.04477	2.4
79.05064	3.2
79.05496	43.2
81.07064	98.4
83.08609	5.0
91.05484	21.3
93.07053	51.8
95.08617	75.3
97.06515	2.9
97.10183	4.8
98.21494	5.9
105.07047	15.2
107.08604	31.5
109.10160	33.5
109.16246	2.4
117.06995	9.0
119.08580	14.9
121.10148	28.0
123.11707	23.9
131.08589	19.6
131.71638	2.6
133.10129	10.6
135.11725	26.9
137.09694	3.4
137.13258	11.5
145.10143	16.2
147.11696	13.7
149.13293	21.9
151.14851	3.0
154.47951	2.4
159.11775	11.3
161.13301	11.9
163.14862	13.6
173.13269	16.5
177.12807	2.9
177.16354	5.8
187.14807	8.4
201.16411	3.0
233.22636	3.6
243.21101	26.2
261.22165	100.0
279.23212	11.5
335.25745	18.7
353.26913	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05510	15.6
57.03437	6.7
57.07079	4.2
62.44532	2.5
63.93698	3.0
65.03949	4.0
67.05505	95.8
69.07066	13.9
69.25208	2.3
76.53308	2.8
79.05495	39.3
80.44157	2.3
81.06581	5.2
81.07059	100.0
83.08623	6.0
91.05479	21.0
93.07049	49.3
95.04975	3.3
95.08613	72.3
97.06543	3.2
97.10147	2.9
105.07064	15.2
107.08587	34.9
109.10159	39.9
117.07035	8.1
119.07897	2.6
119.08584	14.7
121.10155	31.1
123.11696	19.1
131.08554	17.2
133.10110	13.3
135.11707	26.6
137.12318	2.7
137.13272	8.6
145.10139	15.1
147.11688	10.3
149.13258	18.6
159.11714	11.0
161.13266	11.5
163.14850	10.0
169.41545	2.7
173.13271	14.1
175.14787	3.5
177.16438	4.7
187.14827	12.5
229.17279	2.8
229.19524	3.6
233.22714	3.5
243.21103	28.0
261.22174	90.9
264.22110	2.6
277.64340	3.1
279.23172	8.2
335.25769	13.2
353.26944	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	353.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	13.1
57.03425	3.6
57.07079	77.1
59.04996	2.7
67.05495	4.4
69.03430	2.6
69.07079	17.1
71.42487	4.9
73.02935	2.7
74.13988	2.3
81.07061	40.8
84.02641	2.3
84.12880	2.5
85.02893	7.8
85.04661	2.5
85.06145	3.0
85.06555	32.5
95.08617	24.8
97.10182	21.6
99.07490	3.9
99.08102	51.8
111.11736	4.7
131.04921	4.9
136.44496	2.5
137.13278	33.8
145.02809	4.4
146.03635	8.0
149.06038	4.4
155.14316	100.0
161.06020	11.6
163.03954	3.1
173.15401	25.6
177.05481	16.3
181.43611	2.3
191.16432	74.1
202.02599	11.2
215.03447	2.8
217.02882	5.7
217.04976	92.9
218.05223	5.4
219.06503	4.2
245.04521	10.8
247.05965	6.3
247.24767	2.4
254.11031	2.8
275.05563	6.1
293.06519	11.8
305.06662	5.2
353.08322	3.2
374.74164	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	353.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19162	2.5
53.97733	2.3
55.05508	9.6
56.86158	2.5
57.03436	5.7
57.07082	73.7
59.05453	2.6
64.35358	2.4
67.05493	3.1
69.07078	17.3
70.44618	5.3
70.45003	4.8
75.71922	2.6
81.07065	35.8
85.02907	6.9
85.06554	22.9
95.08619	22.4
97.02852	2.6
97.10177	22.5
99.08103	47.2
111.11720	7.1
137.13274	30.0
145.02821	3.5
146.03629	2.4
149.05923	2.4
155.14326	100.0
161.06007	9.1
173.15361	21.4
177.05515	9.6
189.05449	3.5
191.16437	67.8
202.02667	7.6
217.04973	56.2
219.06483	3.9
245.04485	6.0
247.06006	4.7
282.17209	2.4
293.06613	7.6
337.86597	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	353.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.7
55.01860	3.9
55.05513	10.3
57.03419	1.8
63.34348	1.7
65.03946	1.6
67.05512	10.8
69.03436	13.0
69.07076	12.1
71.05005	10.3
71.56339	2.7
73.80031	1.7
75.89267	1.6
79.05510	17.9
81.03425	48.2
81.07065	40.5
82.03743	2.1
82.04216	2.2
83.04973	9.7
83.08631	1.9
85.02903	3.2
85.06538	3.1
91.05473	14.7
91.73637	1.7
93.07057	34.9
95.04972	11.0
95.08612	11.7
97.02882	7.5
97.06523	7.0
98.97607	2.7
99.04476	15.7
105.07039	24.8
107.04960	7.3
107.08600	26.6
109.02890	49.1
109.06516	8.8
109.10176	12.0
110.03658	6.8
111.04448	10.0
111.08083	5.8
112.99155	1.8
117.07024	3.8
119.04981	2.9
119.08588	10.1
121.06515	10.6
121.10147	28.7
123.04423	4.9
123.08083	6.3
123.11740	2.2
125.02345	6.0
125.06010	3.4
126.37083	2.0
127.03926	18.3
127.07542	2.6
128.06261	3.0
129.06987	1.9
131.08574	6.3
133.06474	2.3
133.10135	5.9
135.08073	5.7
135.11684	8.7
136.07585	2.6
137.05988	5.0
137.09615	4.7
139.07591	2.7
139.11186	3.2
143.06984	2.0
143.08594	6.1
144.16995	1.9
145.06473	2.3
145.10141	19.5
147.08115	5.7
147.11665	6.7
149.05992	5.1
149.09685	9.1
149.13223	2.1
151.07480	2.8
155.08543	6.9
157.88187	1.9
161.06050	3.9
161.09634	4.3
161.85263	1.9
163.11177	39.0
165.09074	2.4
167.07144	2.8
167.10670	11.9
169.08720	9.5
169.10010	3.8
171.08116	2.9
171.11664	2.1
173.09642	7.5
175.11160	2.8
181.12291	5.6
183.08066	2.8
189.09048	3.0
191.07045	2.1
191.10675	24.1
192.14043	2.5
195.11766	3.9
196.12503	2.9
197.13319	9.5
201.12885	1.9
209.11719	14.0
210.10620	2.3
213.12892	3.9
224.11029	2.5
225.12747	8.4
227.12666	9.4
243.13820	25.9
245.15416	2.1
261.14938	4.7
283.88269	2.0
286.17355	4.0
289.14380	3.9
293.13989	2.7
299.16357	3.0
299.23856	2.4
309.16922	2.4
317.14093	3.1
317.17599	4.4
317.24802	2.2
321.11237	2.2
335.14969	7.3
353.15936	100.0
353.19687	12.8
361.90884	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60285	1.3
62.24000	1.3
64.41373	1.5
67.05495	2.2
69.03415	2.2
69.62833	8.0
81.07057	1.7
84.08129	1.6
85.02900	3.7
91.05485	5.1
95.08591	1.9
96.04485	2.6
98.27272	1.4
116.35911	1.3
119.04932	4.3
131.08562	1.6
146.09633	3.7
147.04446	14.1
150.05507	2.0
158.09669	2.8
159.09232	9.1
160.07611	3.4
162.05495	2.5
164.07088	1.9
164.10756	2.2
172.07567	1.8
173.10757	4.5
175.03868	5.0
177.10239	4.5
184.07616	6.2
186.07735	3.1
186.09161	4.6
187.08644	9.2
188.07050	14.4
192.10243	5.3
199.08591	1.6
201.06552	2.7
201.10239	41.4
202.08682	4.8
205.09746	5.4
207.06558	9.6
211.08607	2.2
212.07076	13.2
213.07825	1.8
214.07365	6.5
215.08183	13.9
219.11273	2.9
226.08614	3.5
227.08195	12.2
229.09737	98.7
230.08183	13.4
230.10283	2.5
232.88814	1.6
240.06572	7.0
241.09537	1.9
243.07680	7.2
247.10803	6.4
248.09137	7.9
253.09853	1.9
254.08124	8.9
255.08977	2.8
257.09222	94.5
258.09955	7.7
269.09125	2.8
271.10706	2.9
272.09192	19.0
275.10275	46.4
286.09424	5.8
289.11838	6.9
293.11276	7.1
299.10217	5.3
300.08722	2.4
317.11356	22.5
318.09796	2.6
335.12399	100.0
335.15915	5.5
336.10974	1.9
353.13345	65.0
353.17178	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04124	0.5
69.07075	0.7
69.27686	5.7
70.36585	0.6
76.19318	0.6
85.02923	0.8
88.34586	0.6
89.03906	1.3
98.21513	1.3
103.05457	1.8
107.34140	0.7
111.04360	0.8
115.05414	0.9
117.03384	4.6
119.04886	0.9
131.04842	1.4
134.03589	0.6
135.04419	3.3
137.05966	3.3
145.02847	10.0
146.03619	7.6
147.04395	0.7
149.05969	5.2
159.04411	3.6
161.02336	1.7
161.05995	11.1
162.03125	1.0
163.03923	4.3
174.03214	1.4
175.07582	0.8
177.05466	31.4
187.03870	2.7
189.01782	0.8
189.05527	3.6
191.03386	2.8
191.07048	2.3
201.05432	1.5
202.02608	11.0
203.03398	0.6
203.07001	2.0
205.04945	0.9
215.03423	2.5
217.04962	100.0
219.06467	4.8
229.05016	2.6
233.04463	2.5
235.06030	0.7
243.06601	1.5
245.02141	1.0
245.04469	11.9
247.05983	7.0
275.05533	6.8
293.06558	8.6
305.06595	4.4
305.66806	0.7
317.06647	0.7
353.08881	2.9
357.05780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60500	1.5
53.95052	1.3
55.01876	1.4
57.03441	1.4
69.03415	3.5
69.54721	7.8
70.06600	2.4
73.42587	1.2
79.05507	1.8
81.03432	1.9
81.07083	2.1
83.05005	2.3
83.06115	1.3
84.04507	1.5
84.08147	1.6
85.02911	3.8
86.09738	1.5
87.04478	1.4
91.05489	6.5
95.08600	2.3
96.04517	2.1
97.02935	1.6
97.06476	1.6
100.75642	1.3
105.07034	2.2
106.06568	1.8
108.50878	1.2
109.73703	1.2
119.04952	8.7
119.08553	1.9
122.06019	1.3
123.04382	1.4
127.03896	1.6
129.06947	1.6
146.09698	2.8
147.04425	17.1
150.05467	1.7
155.10564	1.6
155.14273	1.6
156.08089	2.5
158.09691	3.4
159.09190	11.0
160.07605	3.2
162.05557	1.7
163.08698	1.5
164.07158	1.7
168.06667	1.6
172.07545	1.8
173.08449	1.4
173.10809	4.4
174.09180	2.2
175.03909	8.3
177.10268	2.6
182.08250	1.7
184.07535	6.8
186.07887	3.7
186.09177	5.0
187.08684	10.0
188.07076	14.1
191.14288	2.3
192.10234	5.2
198.09155	1.9
199.08583	2.0
201.10229	45.7
202.08659	4.6
205.09743	3.9
207.06543	15.4
211.08698	3.5
212.07045	12.3
213.07915	2.2
214.07373	4.7
215.08167	12.2
217.05132	1.5
219.11304	5.0
226.08679	2.5
227.07860	11.4
229.09729	92.1
230.08141	16.2
230.10324	2.0
236.97546	1.3
240.06609	7.7
241.09589	1.5
243.07623	3.8
243.11426	1.9
247.10759	8.6
248.09198	6.8
253.09604	1.4
254.08090	6.5
255.08958	2.9
257.09213	85.3
258.10016	8.5
259.34912	1.3
268.08441	2.0
269.09241	3.3
271.10660	2.4
272.09146	14.3
275.10281	45.6
282.07813	1.4
286.09479	4.9
287.10269	3.7
289.11746	8.2
290.10202	1.5
293.11417	7.3
299.10275	6.6
300.08624	2.0
307.13065	1.4
317.11392	24.8
318.09872	4.8
335.12399	100.0
335.15921	6.7
353.13339	61.9
353.17160	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	353.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
55.05496	0.5
57.07053	1.2
67.05506	0.7
68.42861	0.4
69.07066	0.9
69.41171	2.7
71.01348	0.4
79.05489	1.3
81.03468	0.5
81.07061	2.2
84.08140	0.5
85.02876	0.6
85.06533	1.9
86.06850	0.5
89.03922	1.1
90.35323	0.4
93.07016	0.9
95.08600	1.4
99.08086	1.1
100.27808	0.4
103.05452	1.8
105.07027	1.0
107.04939	0.9
107.08571	0.4
109.10151	0.5
117.03374	2.4
117.07031	0.5
118.04155	0.5
119.04900	0.7
121.79914	0.4
126.21848	0.4
130.04082	0.4
131.04951	2.8
133.06447	0.4
135.04387	2.0
137.06006	2.4
137.13225	1.0
145.02866	5.0
145.06473	0.9
145.10115	2.3
146.03633	8.0
147.04431	0.9
148.09654	0.7
149.05997	2.9
155.14320	2.3
159.04388	2.6
160.05266	0.6
161.02400	1.9
161.05986	13.2
163.03897	4.3
165.05493	0.6
167.07011	0.5
173.06036	0.8
173.09644	0.9
173.11789	0.7
173.13176	0.4
173.15390	0.8
174.03143	1.6
174.12085	0.6
175.07578	0.9
176.04729	0.7
177.05464	15.6
187.03955	3.6
189.01724	0.7
189.05466	3.3
190.06383	0.5
191.03392	3.0
191.06953	2.1
191.10681	1.4
191.14400	0.6
191.16417	2.0
192.06581	0.5
193.04955	0.5
200.04575	0.6
201.05499	1.6
202.02614	10.7
203.03351	0.7
203.07037	1.9
205.04962	1.0
207.06525	0.6
208.01459	0.4
209.04523	0.5
215.03368	2.3
216.04170	0.6
217.04967	100.0
218.05350	1.2
219.06523	5.7
228.04163	0.4
229.04897	2.8
230.02173	0.8
230.05333	0.4
231.06467	0.5
233.04491	2.4
233.08076	0.7
235.05832	0.8
243.06557	1.5
245.04451	14.6
247.06050	6.9
261.07480	0.6
273.07629	0.8
275.05490	6.6
281.75876	0.4
289.11234	0.9
293.06570	10.2
301.45486	0.4
305.06482	5.2
317.06448	0.9
322.61884	0.4
335.07794	0.7
335.11752	1.1
353.08658	2.4
353.12592	0.8
353.16394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
55.05496	0.5
57.07053	1.2
67.05506	0.7
68.42861	0.4
69.07066	0.9
69.41171	2.7
71.01348	0.4
79.05489	1.3
81.03468	0.5
81.07061	2.2
84.08140	0.5
85.02876	0.6
85.06533	1.9
86.06850	0.5
89.03922	1.1
90.35323	0.4
93.07016	0.9
95.08600	1.4
99.08086	1.1
100.27808	0.4
103.05452	1.8
105.07027	1.0
107.04939	0.9
107.08571	0.4
109.10151	0.5
117.03374	2.4
117.07031	0.5
118.04155	0.5
119.04900	0.7
121.79914	0.4
126.21848	0.4
130.04082	0.4
131.04951	2.8
133.06447	0.4
135.04387	2.0
137.06006	2.4
137.13225	1.0
145.02866	5.0
145.06473	0.9
145.10115	2.3
146.03633	8.0
147.04431	0.9
148.09654	0.7
149.05997	2.9
155.14320	2.3
159.04388	2.6
160.05266	0.6
161.02400	1.9
161.05986	13.2
163.03897	4.3
165.05493	0.6
167.07011	0.5
173.06036	0.8
173.09644	0.9
173.11789	0.7
173.13176	0.4
173.15390	0.8
174.03143	1.6
174.12085	0.6
175.07578	0.9
176.04729	0.7
177.05464	15.6
187.03955	3.6
189.01724	0.7
189.05466	3.3
190.06383	0.5
191.03392	3.0
191.06953	2.1
191.10681	1.4
191.14400	0.6
191.16417	2.0
192.06581	0.5
193.04955	0.5
200.04575	0.6
201.05499	1.6
202.02614	10.7
203.03351	0.7
203.07037	1.9
205.04962	1.0
207.06525	0.6
208.01459	0.4
209.04523	0.5
215.03368	2.3
216.04170	0.6
217.04967	100.0
218.05350	1.2
219.06523	5.7
228.04163	0.4
229.04897	2.8
230.02173	0.8
230.05333	0.4
231.06467	0.5
233.04491	2.4
233.08076	0.7
235.05832	0.8
243.06557	1.5
245.04451	14.6
247.06050	6.9
261.07480	0.6
273.07629	0.8
275.05490	6.6
281.75876	0.4
289.11234	0.9
293.06570	10.2
301.45486	0.4
305.06482	5.2
317.06448	0.9
322.61884	0.4
335.07794	0.7
335.11752	1.1
353.08658	2.4
353.12592	0.8
353.16394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0847
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
57.28947	1.2
71.53610	1.7
88.70431	1.2
93.18027	1.5
121.09604	1.3
190.98616	2.6
222.49300	1.3
232.99672	2.8
327.92709	1.4
353.08490	100.0
354.08746	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.9
55.01865	7.4
55.05504	3.8
57.03439	4.7
61.02923	6.8
68.99792	3.7
69.03082	2.9
69.03433	33.5
69.06728	3.1
69.07073	38.2
69.12383	2.1
69.14999	2.1
70.06586	3.9
71.04973	6.2
73.02912	9.3
81.03412	27.3
81.07066	18.1
83.08595	2.6
85.02911	100.0
85.06544	7.5
86.09708	5.6
87.00838	41.7
91.05472	8.4
93.07041	9.2
95.04973	2.7
95.08594	7.5
95.79408	2.4
97.02894	40.4
97.06501	5.3
98.21629	4.7
99.04466	12.8
103.03940	3.8
105.01870	69.6
105.07034	6.7
107.08606	8.7
108.04517	3.2
109.02889	29.6
109.06499	5.8
109.10162	4.2
111.08099	12.5
115.03954	2.5
117.01835	2.7
119.08576	5.4
121.10217	4.0
124.03917	2.6
127.02976	3.9
127.03924	69.3
129.01831	6.4
131.08574	6.4
133.06503	5.1
133.10156	2.7
135.08073	4.7
135.11700	3.4
137.09615	3.4
145.04970	50.2
145.10112	2.7
147.02904	6.2
147.08054	5.8
147.11716	2.6
148.38867	2.1
149.09663	4.0
153.09074	9.2
155.10680	5.1
155.14299	5.2
159.02910	20.1
159.08072	4.0
161.13271	3.1
165.09114	4.1
173.11766	3.4
177.09117	9.8
189.03967	7.5
191.16364	3.3
195.10185	26.2
205.23265	2.6
217.04965	5.4
231.05011	28.1
249.06082	11.3
254.93175	2.6
255.21162	9.2
299.11334	5.7
322.04810	2.7
334.23926	2.6
334.27451	10.6
352.12753	2.9
352.28513	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11586	6.6
55.05515	25.6
57.07082	7.9
65.03946	7.6
67.05505	46.2
67.32904	6.1
69.07070	63.1
71.05000	15.5
71.11037	8.2
71.11368	9.1
77.49545	6.1
79.05502	31.3
81.07051	66.2
83.08624	26.2
91.05476	49.3
93.07054	75.8
95.04940	31.5
95.08617	83.1
97.06559	17.1
105.07027	97.9
107.08601	67.8
109.06525	12.1
109.10163	53.4
111.11733	9.2
117.07050	25.0
119.08579	100.0
121.06506	9.5
121.10140	57.6
123.11716	17.1
128.06233	8.4
129.07040	12.9
131.08545	47.4
133.10150	50.5
135.08081	16.7
135.11732	20.5
137.09628	7.9
137.13312	9.5
142.07826	20.4
143.08568	25.7
145.10129	44.5
146.07280	8.7
147.11707	27.7
149.09682	13.8
149.13342	10.3
155.08551	8.9
156.09456	9.9
157.10129	59.0
159.11702	16.9
161.09621	44.3
161.13248	18.7
167.08611	6.9
170.10825	6.9
171.11722	26.4
173.09663	8.8
173.13232	13.3
175.11157	11.9
175.14824	14.2
177.16443	18.9
183.11725	13.4
185.13290	23.8
187.14920	8.6
189.16505	7.7
197.13301	12.9
199.14818	8.5
209.13231	21.1
211.14919	8.6
225.16368	9.0
241.19543	8.5
255.21097	8.9
264.18558	6.9
351.26633	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.6
55.05508	25.4
57.03196	2.2
57.03440	29.2
57.07067	3.1
57.23417	2.2
64.75984	2.5
65.45329	2.2
67.05170	3.7
67.05508	50.9
67.05862	1.9
69.03397	2.4
69.07069	16.8
69.59568	16.6
71.04984	8.9
75.76212	2.5
79.05495	57.1
81.07059	73.4
83.04971	6.6
83.08621	17.2
83.35431	2.2
85.06548	7.0
91.04970	3.6
91.05487	39.9
93.06470	4.6
93.07047	75.1
95.04967	6.1
95.08611	50.2
95.09204	1.6
97.06558	5.6
97.10166	6.5
99.08054	2.8
105.07034	37.5
107.08601	44.0
109.06512	3.4
109.10171	16.6
111.08093	3.6
117.06990	13.1
119.08585	36.4
121.10149	32.7
123.08054	2.8
123.11725	4.4
123.29863	2.9
125.09624	2.9
129.07005	3.3
131.08580	18.1
133.10139	35.2
135.11684	26.8
143.08568	6.6
145.10123	15.2
147.11707	30.4
149.09608	4.2
149.13275	17.4
151.11220	2.8
157.10172	7.3
159.11691	17.0
161.13234	19.5
163.14850	3.0
165.12801	4.0
171.11708	9.2
173.13274	11.6
175.14890	7.0
177.12804	3.1
185.13210	11.6
187.14827	11.7
199.14874	4.8
203.14371	2.3
231.21034	3.8
241.19424	17.0
259.20578	53.9
259.23367	2.9
277.21658	23.5
293.21017	2.8
333.24210	9.5
351.25333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Methyl 2beta,3beta-dihydroxy-8(17),13E-labdadien-15-oate
Peak:m/z	Relative Intensity
53.03944	4.4
55.01871	2.4
55.05515	19.3
56.04408	1.3
57.03443	15.0
57.07070	3.4
59.04992	1.4
65.03931	2.3
67.05508	71.7
69.07076	18.2
71.05011	3.0
71.08641	15.1
79.05499	55.9
81.03417	3.9
81.07063	63.1
83.04996	6.1
83.08626	11.7
85.06544	4.0
91.05485	39.2
93.07048	66.1
95.05001	8.0
95.08613	41.5
97.06539	5.6
97.10197	7.7
98.20725	2.7
99.08096	13.2
105.03417	5.5
105.07035	26.7
105.07686	2.1
107.04939	2.8
107.08600	36.1
107.09300	2.8
109.06558	3.5
109.10166	18.8
111.08091	3.5
113.09641	1.3
117.07027	7.0
117.75069	1.2
119.08589	26.6
121.10153	48.6
123.08067	2.9
123.11732	5.7
125.09636	4.3
129.07011	4.4
131.08586	11.5
133.10129	24.7
135.08084	3.1
135.11697	39.2
137.09683	3.0
139.11171	1.5
141.09085	2.0
143.08585	5.1
145.10141	15.1
147.11690	20.1
147.12794	1.9
149.09665	2.7
149.13249	14.1
151.11209	8.6
157.10168	5.5
159.11700	10.9
161.09685	1.4
161.13283	14.5
163.11205	5.2
163.14900	3.6
171.11722	7.6
173.09647	1.5
173.11824	2.6
173.13289	4.4
175.11240	1.3
175.14842	4.6
177.12761	4.9
179.14320	38.3
181.12267	1.5
185.13293	4.4
189.11205	3.5
189.12787	1.8
189.16464	1.3
195.13860	3.0
199.14891	4.3
203.14355	1.6
207.13802	1.5
213.16417	1.6
231.17549	1.3
231.21095	3.7
235.16978	2.2
241.19542	12.3
258.94196	1.3
259.20593	41.0
259.23349	2.5
261.22150	5.9
277.21637	35.4
315.23050	1.8
333.24448	7.7
351.25397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
53.97624	3.3
55.05518	25.8
56.84763	2.9
57.03435	22.2
65.03915	4.7
67.05506	100.0
69.07075	30.8
71.05004	4.2
71.55898	3.4
79.05063	5.2
79.05495	72.3
81.07062	88.0
81.61176	2.7
83.04998	6.0
83.08627	14.6
85.06529	7.4
88.17421	2.6
91.05489	49.8
93.07051	76.2
95.08612	63.1
97.06514	8.0
97.10150	5.6
105.07043	30.8
107.08596	28.1
109.10169	18.0
111.08083	7.1
117.07016	9.6
119.08585	23.9
121.10154	60.1
123.08041	3.2
125.09687	3.6
129.07018	5.4
131.08565	12.8
133.10152	24.4
135.11714	28.5
137.09644	3.5
145.10123	5.0
147.11671	13.4
149.13312	8.0
159.11714	10.2
161.13286	9.1
175.14822	6.0
185.13205	3.8
241.19533	5.0
259.20593	13.4
259.63803	3.1
277.21515	13.3
342.94110	3.1
351.25327	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27462	2.0
52.28314	2.1
53.03940	6.5
55.01859	4.0
55.05519	25.7
55.15146	1.9
57.03428	9.2
57.07073	4.0
65.03941	2.4
67.05175	3.9
67.05505	57.9
69.03413	2.3
69.07079	20.1
71.04993	4.5
71.08624	9.0
79.05495	84.2
81.07056	67.9
83.04974	14.2
83.08614	10.0
85.06560	3.3
91.05482	55.8
93.07046	100.0
95.04969	10.4
95.06111	2.2
95.08611	49.9
97.06516	7.2
97.10184	6.1
99.08091	9.4
105.07021	51.5
107.04984	2.5
107.08602	61.8
109.06504	5.3
109.10177	21.7
111.08101	2.8
113.09680	2.9
117.07037	15.6
119.08589	49.9
121.06468	2.9
121.10150	45.3
123.08089	2.9
123.11711	3.5
129.07028	10.0
130.07755	2.8
131.08572	24.8
133.10121	47.2
135.08075	3.1
135.11699	46.8
137.09586	4.5
143.08575	9.7
145.10114	24.7
147.11690	49.4
149.13271	28.3
151.11238	5.1
157.10158	8.8
159.11711	21.2
161.13274	31.2
163.11247	4.9
163.14879	10.8
165.12735	3.5
171.11717	11.5
173.13287	9.0
175.14844	17.6
177.12761	4.1
179.14323	16.9
179.26828	2.1
181.12273	2.9
181.83334	2.2
185.13271	13.6
187.14923	2.7
189.16399	3.4
197.13246	2.5
199.14842	8.3
213.16374	2.6
231.21144	10.0
235.17072	2.9
241.19485	34.1
259.20587	94.4
274.88272	2.8
275.84952	2.3
277.21588	19.1
289.13672	3.8
333.24408	9.7
351.25360	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73742	3.2
54.55671	2.4
55.05515	9.2
56.96564	3.5
67.05520	15.0
68.65171	2.6
69.07073	7.4
71.55547	3.9
72.71927	2.3
79.05493	13.3
81.03407	4.9
81.07069	23.5
83.05000	4.6
85.06556	4.3
91.05497	17.2
93.07050	24.3
95.04982	4.6
95.08621	27.3
97.06538	5.3
97.10209	3.5
105.07058	34.3
107.04969	3.3
107.08604	29.6
109.06497	4.4
109.10166	11.9
111.08074	4.6
117.07021	9.9
119.08599	26.0
121.10132	16.7
123.08054	9.9
123.11761	5.5
127.03964	3.0
129.07028	7.6
131.08580	18.8
133.10141	31.4
135.08096	15.1
135.11737	12.9
135.74306	2.6
137.09659	4.6
143.08577	11.0
145.10144	21.0
147.08145	4.0
147.11693	14.7
149.09654	9.7
149.13319	3.7
151.11220	10.3
155.08513	4.4
157.10141	11.5
159.11729	16.5
161.08260	2.2
161.09663	8.2
161.13261	16.2
163.11166	5.0
165.12799	2.8
169.10152	5.8
169.31888	2.4
171.11720	7.5
173.09680	4.2
173.13263	7.7
175.11185	7.0
175.14804	4.3
177.12743	5.2
179.14331	3.2
181.10255	3.1
183.11652	8.0
185.13304	7.9
187.11288	4.0
187.14874	6.4
191.14273	6.4
195.11615	3.6
197.13283	3.9
199.14896	6.2
203.14384	5.6
203.17905	2.6
205.15927	6.2
209.13257	4.4
213.12846	3.2
213.16440	17.6
215.14589	3.4
217.15855	2.3
223.14806	4.4
225.16354	9.2
231.17526	4.6
249.18530	3.4
255.21118	4.8
259.86914	2.6
269.22574	5.6
271.20859	3.1
279.21121	15.0
297.22156	100.0
315.19653	2.8
315.23242	50.4
333.24295	19.4
351.12585	3.4
351.21341	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74597	3.2
55.05521	7.1
56.96570	18.5
62.10108	3.2
67.05505	11.3
69.07068	7.9
74.38982	3.1
74.97593	3.3
79.05493	14.2
81.07051	25.2
83.04987	8.0
86.74260	2.8
91.05475	20.8
91.97285	3.3
93.07036	20.3
95.08601	28.9
97.06540	5.8
98.97577	7.2
103.05478	3.2
105.07029	39.4
107.08603	30.3
109.06522	5.5
109.10152	13.3
111.08112	3.3
117.07020	9.5
119.08589	40.8
121.10158	12.6
123.08079	12.1
123.11728	6.9
129.07004	4.6
131.04929	4.4
131.08572	22.6
133.10126	34.4
135.08012	19.8
135.11717	14.8
137.09662	8.4
138.10289	3.3
143.08574	10.7
145.10136	25.4
147.08066	4.5
147.11673	13.1
149.09644	9.2
149.13275	8.1
151.11179	10.8
154.07639	3.1
155.08545	6.9
156.63788	3.1
157.10153	15.4
159.08139	3.6
159.11711	21.7
161.09633	10.4
161.13240	26.6
163.11182	7.7
165.12834	3.6
169.10164	6.5
171.11713	15.3
173.09676	8.5
173.13300	7.7
175.11197	5.0
175.14787	5.7
177.12711	4.7
179.14351	5.8
183.11714	10.3
185.13258	9.4
187.11191	7.6
187.14807	8.3
189.12785	6.7
191.14268	8.0
195.11746	5.2
199.14804	6.8
201.12714	4.1
203.14334	5.0
205.15936	5.4
209.13303	7.3
213.16362	16.3
222.48029	3.2
223.14850	3.5
225.16360	9.2
229.11296	4.0
231.17386	4.9
237.16499	4.8
239.17885	3.3
248.10663	6.2
258.31918	3.5
269.22516	4.9
274.09811	3.7
279.21149	15.1
287.23749	3.1
297.22131	100.0
315.23224	78.5
330.61774	3.6
333.24231	18.0
351.19547	10.7
351.23392	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.05497	8.3
57.03423	4.6
67.05225	2.4
67.05507	28.4
69.03427	4.4
69.07069	8.1
69.19654	2.9
69.19954	24.8
69.77364	2.5
71.04996	5.2
79.05495	21.5
81.07058	35.6
83.04968	5.3
83.08620	5.0
84.02116	4.1
85.06533	3.2
87.76736	2.2
91.05495	30.9
93.07054	26.5
95.04951	4.9
95.08602	28.7
96.61987	2.3
97.06535	7.9
105.07040	26.3
107.08604	30.0
109.02922	3.1
109.06506	7.6
109.10165	28.4
111.08092	4.5
117.07007	17.3
119.08575	26.4
121.06509	3.5
121.10123	21.3
123.08074	7.8
123.11733	13.2
125.09621	4.2
127.03923	3.2
129.06982	4.9
131.07733	2.5
131.08594	26.2
133.06448	2.3
133.10149	26.5
135.08034	4.7
135.11697	15.4
137.09593	11.8
138.96915	2.9
141.06964	2.7
143.08554	16.8
145.10149	23.7
147.11716	15.6
149.09631	11.6
149.13211	5.4
151.11165	7.5
155.08511	10.4
157.10178	12.3
159.11699	27.1
161.09619	7.7
161.13237	10.6
163.11121	4.3
165.12717	3.4
169.10124	8.3
171.11665	13.9
173.13254	11.5
175.11128	4.8
175.14803	6.6
177.12701	3.4
181.10101	4.8
183.11644	4.4
185.13242	9.6
187.14798	7.1
189.12648	3.1
189.16377	5.4
195.11699	5.0
197.13194	5.8
199.14792	13.1
201.16391	4.2
203.14285	4.2
207.11594	2.3
209.13263	5.8
211.14821	19.1
213.16403	5.9
215.14217	2.9
215.89267	2.4
217.15901	12.5
227.17928	10.2
229.15947	12.3
231.17574	5.5
237.16354	2.6
241.15854	3.2
245.19162	2.7
249.18530	6.3
255.21194	13.2
269.22675	9.8
273.22095	6.3
279.21066	21.4
286.15686	3.1
287.23602	4.8
297.22137	100.0
315.23215	95.5
332.52457	2.7
333.24243	13.6
351.19540	6.2
351.25232	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	351.2528
Annotation	Tetrahydrocorticosterone
Peak:m/z	Relative Intensity
55.05505	6.8
57.03445	2.2
67.05509	26.4
69.07063	7.8
69.20044	10.2
69.20464	8.1
71.04990	1.9
78.41770	1.8
79.05496	17.6
81.07061	34.9
83.04957	4.5
83.08612	3.4
84.89116	1.8
91.05492	22.6
93.07047	26.1
93.95063	1.8
95.04955	2.0
95.08601	21.0
97.06522	7.7
97.10149	2.8
98.21605	3.7
101.17368	2.1
105.06390	2.4
105.07035	27.1
107.08591	17.9
107.86266	1.9
109.06545	2.8
109.10156	23.9
111.08076	3.7
117.07036	12.9
119.08575	22.8
121.10143	20.4
123.08038	5.2
123.11696	10.7
125.09625	4.2
129.06990	6.9
131.08583	24.7
133.06465	1.8
133.10121	19.5
135.11685	13.8
137.09639	13.2
139.11176	2.0
141.07008	3.5
143.08586	14.8
144.09396	1.9
145.10120	25.5
147.11700	16.8
149.09595	6.9
149.13254	7.2
151.10100	1.8
151.11189	8.4
155.08493	8.9
157.10141	13.6
159.08093	3.3
159.11728	20.1
161.09726	2.1
161.13255	9.3
163.11150	2.7
163.14874	4.2
165.12817	2.2
167.08554	3.1
169.10107	6.1
171.11676	12.1
173.09612	2.3
173.13257	11.9
175.11169	4.3
175.14830	5.3
177.12805	4.6
181.10092	2.3
183.11662	5.2
185.13170	9.0
187.14848	4.7
189.12723	2.5
189.16382	4.4
191.14290	3.9
195.11636	3.8
197.13341	2.5
199.14853	10.6
201.16383	5.3
203.14290	3.8
203.80519	2.1
211.14861	17.3
213.16350	6.4
215.14238	2.0
216.85484	1.8
217.15916	13.8
223.14786	3.8
225.16431	2.5
227.14427	2.4
227.17937	10.1
229.15846	11.6
231.17424	4.1
237.16397	3.3
239.17935	3.6
241.15865	3.1
241.19437	3.1
243.17534	2.2
249.18661	3.3
255.21100	9.6
257.19006	2.7
259.20520	3.9
269.19189	1.9
269.22647	11.2
273.22055	4.8
279.21164	16.0
287.23712	3.4
297.22128	96.5
315.23190	100.0
333.24142	16.4
351.25406	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42099	1.3
51.05701	1.2
52.84229	1.2
56.96565	20.1
57.03432	2.5
61.02916	1.4
62.40496	1.3
69.03442	6.6
70.06592	1.6
70.98144	2.1
71.04993	1.6
71.54031	1.4
71.54440	1.7
73.02935	2.1
79.23540	1.2
81.03424	2.8
84.08138	2.7
84.96037	4.6
85.01405	1.5
85.02906	8.5
88.03986	1.5
89.03932	1.7
94.99863	1.3
97.02887	6.4
98.06063	1.7
98.97587	55.2
99.04491	2.0
100.07608	1.6
100.99164	3.9
101.00883	6.8
103.00634	2.9
103.02436	3.6
103.04008	1.8
110.97575	20.2
111.02949	1.9
112.99155	5.6
113.00883	5.1
113.03517	1.3
115.02447	5.0
116.07108	3.0
116.98623	10.1
117.04046	1.4
119.01908	3.9
121.01708	2.0
124.99096	3.5
127.00704	3.4
127.02398	1.3
127.03927	3.6
128.98604	11.0
129.02271	1.4
129.03984	9.5
131.00171	5.0
131.01912	5.9
133.01701	1.7
133.03482	3.5
137.69716	1.3
140.98596	3.2
141.03955	2.0
143.00171	5.8
143.01938	4.0
144.98103	2.6
145.01686	5.8
145.03474	7.5
145.04944	2.3
146.99611	3.3
147.03336	6.5
147.05054	33.7
148.03886	1.6
149.01189	1.7
152.98564	2.2
153.03954	3.8
155.01913	9.6
157.01701	1.6
157.03499	4.4
158.45912	1.3
158.99643	17.7
159.04994	6.9
161.01257	5.4
161.02908	2.1
163.02742	6.0
163.04205	1.5
165.04349	2.7
165.06084	5.9
170.99666	5.3
171.01221	1.1
171.03569	2.6
171.05049	15.5
173.01245	2.9
173.02933	6.1
173.06541	3.6
175.04546	3.1
177.00757	5.8
177.05643	1.8
178.01300	2.1
179.54449	1.8
181.03577	1.2
182.99617	1.4
183.04965	7.2
183.54904	1.3
183.78111	1.2
185.03000	1.9
185.06602	5.8
187.02847	1.7
187.04494	3.8
188.54915	1.8
189.00748	3.6
189.02576	2.4
189.04335	9.7
189.06113	49.0
191.05875	1.4
195.05011	2.4
201.00766	8.0
201.04517	1.9
201.06079	47.2
202.54678	2.9
203.04106	6.9
203.07666	7.7
205.03848	4.2
205.83232	1.7
207.01848	1.7
207.05237	4.0
207.07091	2.0
213.06114	4.9
215.07570	3.4
219.01773	29.9
219.03935	2.0
220.02242	1.5
221.05093	10.8
225.06134	12.8
225.08228	2.0
231.01753	3.0
231.05167	6.1
231.07224	3.5
232.57648	2.1
237.02811	22.3
238.03261	1.8
243.07159	2.9
245.05136	2.8
248.98935	1.7
249.02870	2.2
249.08575	3.1
261.08234	5.8
263.04346	1.5
264.23361	1.4
265.06012	5.7
273.08185	4.0
277.05817	1.8
279.09369	2.2
287.05231	2.9
287.17563	2.0
291.09540	100.0
295.06894	2.0
309.08667	23.4
309.10040	17.7
351.05841	2.7
351.11411	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	351.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88221	1.0
56.96569	12.3
57.03434	1.4
61.02917	1.8
63.94238	0.9
64.87856	0.9
69.03423	4.3
71.04980	1.2
71.41103	1.0
71.54493	1.1
71.95255	1.4
73.02898	1.7
74.27191	0.9
81.03400	1.4
84.96018	3.4
85.02924	8.6
87.04474	1.6
87.65158	0.9
89.45601	0.9
90.66453	1.2
97.02886	3.8
97.06541	1.0
98.97587	100.0
103.74885	1.1
106.95988	1.0
110.97577	14.1
111.04442	5.3
112.04770	1.0
112.99140	2.7
116.98622	18.1
124.99154	1.6
125.06042	1.0
127.00670	2.1
127.03915	2.8
128.98627	5.3
129.02283	1.3
131.00131	0.9
134.99680	1.9
140.98573	3.6
143.00165	2.5
144.98132	1.7
145.01735	3.3
146.99666	1.5
147.03270	2.8
152.98590	3.8
154.30527	1.0
158.99657	46.6
161.01308	1.2
161.02898	0.9
165.04361	1.7
170.99707	4.4
171.03253	6.2
177.00697	14.9
182.99678	1.5
189.00755	2.0
189.04257	10.5
190.04977	1.9
196.93004	1.0
201.00676	3.8
219.01776	25.6
227.02293	1.2
231.05420	3.5
237.02831	15.4
247.12990	1.0
260.57135	1.2
261.02750	1.2
261.06308	4.5
262.07126	2.7
269.03186	1.2
270.06842	5.6
271.07544	2.0
282.27451	0.9
291.07504	29.9
309.08557	62.9
332.10172	1.2
351.09653	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	350.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
55.05509	1.2
56.05016	0.9
56.96565	2.0
57.03408	1.5
57.54779	1.0
58.06592	1.4
61.02908	3.6
65.03941	6.1
67.05501	1.5
69.03430	9.0
70.06601	2.7
71.05007	1.6
71.54352	1.7
72.08148	2.6
73.02917	1.7
74.06062	1.3
81.03421	4.4
81.07050	1.7
83.04971	3.9
84.04538	1.0
85.02911	22.8
86.06060	1.4
86.09698	1.4
87.04478	1.7
88.03995	1.3
91.03953	1.5
93.03402	2.6
97.02891	9.9
98.21038	1.6
98.97565	3.9
99.04443	2.2
100.02210	1.3
109.00645	1.2
109.02884	2.6
111.03709	1.5
111.04444	23.8
114.05529	12.3
116.07092	1.2
121.03999	1.6
125.06001	1.8
127.03925	7.3
128.01657	4.1
135.04448	1.4
139.03908	67.3
142.03250	1.4
143.07057	1.9
145.02875	1.2
145.04956	5.4
147.04346	1.7
152.07195	1.6
156.04164	2.1
158.99605	1.2
167.66147	1.1
169.05049	1.5
170.06366	18.6
170.07918	1.8
170.11794	1.3
171.06528	100.0
188.03745	4.4
188.07368	9.1
188.09103	2.2
188.12848	1.4
219.01782	1.8
223.82709	1.1
233.98228	1.3
317.99344	1.0
350.09030	5.8
350.12860	3.3
370.34784	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2692
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
55.05503	1.9
56.05048	3.4
60.04525	0.8
67.05500	1.8
69.03423	1.6
69.07070	0.8
70.06597	3.7
72.08147	1.6
79.05492	2.6
79.37215	0.4
81.07065	15.5
83.04988	1.1
83.08621	0.9
91.05496	2.6
93.07058	6.1
95.04991	1.8
95.08604	4.1
97.06551	1.1
98.20759	1.5
105.07039	5.6
106.84670	0.4
107.08602	6.0
109.02837	0.6
109.06524	9.8
109.10167	2.1
111.08080	0.6
117.07069	1.2
119.08589	6.2
121.06493	1.4
121.10178	3.8
122.73929	0.4
123.08054	1.4
123.11710	0.9
128.07190	0.6
129.07025	0.6
131.08568	3.7
133.10138	5.0
135.08089	1.9
135.11707	3.3
137.09601	1.0
143.08549	2.3
145.10130	4.5
147.08069	1.2
147.09137	0.6
147.11714	3.6
149.09642	1.3
149.13263	1.7
155.08493	0.6
157.10155	4.3
158.11795	1.1
159.11723	5.0
161.09666	1.5
161.13272	2.9
163.11188	1.6
169.10130	1.1
171.11685	2.7
173.13245	3.9
175.11224	1.0
175.14835	1.3
183.11737	1.4
184.24980	0.4
185.13255	1.3
187.14868	3.0
189.12788	1.6
189.16537	0.6
190.77133	0.4
191.08119	2.2
197.13293	1.9
199.14835	1.4
201.12715	1.2
201.16386	2.4
203.14400	0.7
205.15987	0.7
211.14853	1.3
213.16418	4.4
215.14371	1.4
215.17892	0.5
217.15910	0.9
227.17921	0.7
229.16089	0.6
229.19330	0.7
231.17476	6.4
239.18036	0.5
253.19589	3.6
255.21039	1.4
257.18976	0.5
271.20575	48.8
272.20877	0.6
272.35715	0.6
279.21054	0.7
285.22049	0.7
288.23288	4.5
289.21680	9.5
297.22113	4.4
315.23279	2.5
332.25858	57.7
333.23929	0.9
350.13480	1.4
350.26917	100.0
351.27151	0.9
369.34521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1347
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
53.03933	0.9
55.01868	1.4
55.05497	0.4
57.03435	2.9
60.04509	0.9
61.02921	1.6
67.05508	0.4
69.03432	9.1
69.07067	0.3
70.06248	1.2
70.06587	0.4
71.01345	1.5
71.04997	2.4
72.08138	0.7
73.02916	0.8
75.04453	0.4
79.05474	0.8
81.03408	1.3
81.07055	0.7
82.09673	0.3
85.02882	0.5
85.06532	1.2
86.06047	0.4
87.04448	1.2
91.05466	1.3
93.07037	0.3
95.08602	0.5
97.02869	0.4
97.06539	0.4
98.06068	1.8
99.04468	2.5
105.07033	0.7
106.06564	0.4
107.08554	0.4
109.02858	0.5
109.10133	0.4
110.52512	0.3
111.08128	0.3
117.05489	0.5
118.06561	3.0
120.08118	0.7
123.07999	0.4
130.06567	0.3
131.05984	0.4
132.08102	0.9
136.07588	0.5
140.10680	1.4
144.06850	0.3
145.07614	12.8
146.08415	0.8
147.09178	21.6
153.07396	0.3
153.12741	0.4
157.07585	1.0
158.11790	5.9
159.09193	9.8
160.09995	1.7
161.06241	0.3
161.10748	0.6
171.09036	0.4
171.13786	0.5
173.07082	2.5
173.10789	1.5
175.08673	1.2
178.08623	0.4
184.09988	0.7
185.10751	3.4
186.11516	0.6
187.08699	1.1
187.12312	1.1
189.10234	1.2
191.08162	100.0
192.08571	0.9
197.10733	1.6
199.08716	1.3
199.12308	1.8
201.10246	0.9
202.14407	1.0
204.08733	0.4
213.10219	1.8
215.11835	1.9
216.07689	9.6
219.11375	0.4
225.10269	1.3
227.11694	0.6
229.09758	0.4
231.11328	0.7
233.09196	0.5
239.47929	0.3
243.11221	0.6
245.09174	0.8
263.13937	7.5
271.10840	1.0
271.20581	0.4
289.11758	3.7
307.12888	53.4
332.20798	2.8
350.13489	69.4
351.13461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01866	1.0
55.05514	4.7
57.07072	1.5
67.05519	4.0
67.49866	0.8
69.07074	8.5
71.04984	1.0
71.08633	0.8
71.55164	1.3
75.17920	0.7
79.05499	4.3
81.07066	7.5
83.04956	0.8
83.08616	4.2
85.86752	0.7
91.05481	2.5
93.07077	5.4
95.04940	0.9
95.08607	7.4
97.06547	2.0
97.10192	1.3
105.07027	2.6
107.08602	5.8
109.06522	8.6
109.10133	3.7
111.08070	1.7
119.08586	3.8
121.10149	3.5
123.08075	52.6
123.11671	1.6
125.09611	1.0
131.08595	1.7
133.10132	3.4
135.08049	3.8
135.11722	2.5
137.09633	2.2
145.10118	1.8
147.11694	2.3
149.09595	1.3
149.13289	1.5
159.11670	1.8
161.13332	1.2
165.12784	0.8
171.11673	1.1
177.12814	1.0
179.14293	7.2
233.18971	0.9
257.18848	1.0
275.20099	2.1
289.25076	0.9
290.42108	0.7
293.21188	15.1
321.27774	0.9
331.26312	3.2
349.27402	100.0
350.27725	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Isoramanone
Peak:m/z	Relative Intensity
50.47667	3.1
50.59426	2.8
53.03950	3.3
55.01863	10.7
55.05512	21.2
56.96558	6.3
57.03433	8.3
67.05513	33.0
69.03432	10.2
69.07065	20.1
71.04995	8.2
79.05499	39.0
81.03428	6.9
81.07066	44.1
83.04970	16.8
85.02917	5.8
85.06554	6.5
86.57956	3.3
91.05479	41.9
93.07048	51.9
95.04977	11.1
95.08620	44.9
97.02871	3.4
97.06529	13.2
97.10190	3.5
98.20751	9.7
98.97602	3.6
99.04460	4.6
105.07047	58.1
107.04974	11.3
107.08599	47.9
109.06518	25.4
109.10169	17.1
111.08081	11.3
116.84025	3.8
116.98586	4.1
117.07030	21.4
119.08586	51.2
119.09362	4.7
121.06499	12.5
121.10143	27.2
123.08082	15.3
123.11726	4.4
125.09612	6.0
128.06264	6.5
129.07005	12.5
131.08580	37.7
133.10138	34.1
135.08075	20.1
135.11725	12.6
137.09645	13.5
141.07007	7.4
142.07867	3.8
143.08586	22.9
145.10135	58.4
147.08070	10.7
147.11676	20.3
149.09639	14.0
149.13315	3.6
152.98730	3.5
155.08568	11.8
157.10158	23.8
159.08051	10.4
159.11714	27.2
161.09659	9.5
161.13275	7.9
163.11238	12.4
165.12732	3.8
169.10149	18.3
171.11719	37.8
173.09691	7.1
173.13275	21.2
175.11223	14.5
179.08675	3.9
181.10149	5.4
183.11694	14.8
185.09634	6.0
185.13284	17.8
187.11205	9.9
187.14801	8.4
189.12727	8.3
195.01662	3.6
195.11710	9.8
196.12460	4.4
197.13280	8.7
199.11163	4.2
199.14888	19.2
201.12851	7.1
201.16364	4.5
203.14380	4.3
207.11661	6.9
209.13327	8.3
211.14876	15.4
213.12863	6.8
213.16365	7.1
215.14368	7.6
217.15828	8.5
221.13268	4.0
223.14781	5.7
225.16367	14.1
227.14365	7.9
229.15915	11.0
239.17920	7.5
241.15956	4.3
257.19131	17.8
265.19461	9.2
267.09033	4.5
267.21234	7.9
269.19022	13.1
275.20236	17.2
277.19580	4.2
283.20605	93.6
285.10001	5.1
285.22006	5.5
287.20071	63.1
295.20609	15.5
301.21625	100.0
301.62610	4.5
305.21158	12.1
313.21600	36.6
313.24973	5.5
331.22684	44.9
349.17657	8.0
349.24036	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Isoramanone
Peak:m/z	Relative Intensity
53.03941	7.0
55.01897	4.3
55.05511	21.0
56.96556	9.1
57.03434	7.7
63.54004	3.7
66.17972	4.1
67.05511	20.6
67.42821	3.6
69.03422	8.9
69.07062	12.5
70.81413	5.8
70.81733	5.8
72.34077	3.9
79.05502	20.6
81.07050	33.6
83.04993	24.2
83.08613	4.4
91.05486	40.2
93.07053	43.7
95.04949	8.7
95.08598	27.6
97.06538	9.9
102.94526	4.3
103.05455	5.1
105.07033	42.9
107.04964	9.2
107.08599	30.8
109.06542	9.1
109.10164	20.1
111.08069	9.2
115.05463	4.2
116.48438	4.4
117.07023	13.9
119.08578	43.3
121.06496	19.0
121.10165	17.6
123.08089	5.6
123.11734	5.5
128.06232	5.6
129.07001	15.0
131.04938	5.1
131.08577	55.2
133.10124	26.7
135.08034	16.3
135.11699	9.6
137.09622	8.4
141.06963	8.9
142.07790	4.9
143.08574	30.3
145.10130	42.8
147.08069	10.6
147.11702	19.9
149.09602	17.7
155.08563	23.7
156.09341	4.4
157.10144	30.3
159.08086	11.1
159.11742	23.5
161.09557	10.3
161.13286	9.2
163.11125	6.7
169.10117	15.9
171.08051	7.3
171.11641	24.3
173.09622	9.7
173.13266	15.4
175.11205	7.5
175.14871	5.2
177.12732	4.5
181.10143	10.3
182.10970	8.1
183.11723	19.7
183.19662	4.3
185.13248	11.7
187.11235	6.6
187.14864	5.8
189.12720	7.6
191.14276	5.9
193.10132	6.3
195.11629	13.1
197.09747	5.7
197.13229	11.6
201.12750	11.0
206.10866	4.8
207.11682	8.2
209.13274	5.2
211.14848	13.7
213.12653	5.1
215.14310	6.7
219.17345	5.2
223.14839	13.0
225.16351	5.9
229.15959	4.8
231.11609	6.0
233.13242	5.6
235.14977	10.3
237.16420	8.4
239.17860	5.0
241.15959	6.1
245.13309	4.0
248.15527	4.4
257.18939	8.9
267.21005	10.1
275.20120	7.5
277.19559	10.2
283.20523	31.9
285.22092	27.7
295.20575	44.4
313.21631	100.0
331.16513	5.8
331.22601	13.5
349.17624	34.3
349.23792	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.2
53.03938	4.2
55.01867	3.1
55.05513	12.1
67.05505	11.6
69.03410	5.2
69.07064	4.1
69.47423	6.4
69.47849	6.8
70.06596	2.1
71.04984	4.1
79.05489	16.9
81.03414	8.6
81.07063	22.6
82.06564	2.7
83.04990	3.0
83.08604	8.3
84.04452	1.9
85.02887	5.1
86.09677	2.3
91.05490	23.8
93.07043	58.3
95.04969	4.7
95.08602	20.6
97.06497	2.7
98.97584	2.1
99.04445	4.7
100.11256	36.2
105.07045	28.9
107.08588	21.7
109.02870	6.8
109.06512	4.2
109.10155	9.6
111.04442	3.9
117.07048	12.2
117.13902	2.0
119.08587	19.7
121.06489	3.3
121.10150	12.8
123.08054	2.3
123.11666	3.5
127.03928	11.0
128.06203	3.9
129.06989	13.8
130.07748	2.4
131.08560	20.5
133.10117	23.8
135.08075	4.0
135.11707	5.8
137.09586	2.2
141.06938	6.7
141.11496	1.8
142.07806	2.0
143.08556	23.8
145.10123	50.5
147.08057	2.8
147.11688	20.8
149.09615	2.3
151.11148	1.9
155.08571	11.3
157.10143	18.4
159.08009	2.8
159.11688	14.0
161.09624	3.5
161.13228	5.9
163.64351	2.1
165.06981	2.8
167.08467	2.0
169.10181	12.2
169.12259	1.8
171.11728	8.6
173.09604	3.2
173.13275	5.5
175.08815	1.9
175.11162	4.0
181.10104	6.8
182.15421	8.6
183.11711	12.2
185.13255	7.7
187.11121	2.3
189.12769	2.2
191.08147	3.3
195.11754	9.1
197.13248	9.5
199.14871	4.4
199.18001	2.0
201.10271	2.3
206.17104	2.0
209.13237	5.5
209.16489	5.9
210.14894	14.6
211.14894	6.0
213.12770	3.4
215.11884	3.5
215.14241	2.1
223.14844	4.3
225.16315	5.3
227.17528	11.8
229.15822	2.4
239.17949	100.0
241.19508	13.2
243.11259	17.6
251.17969	20.7
257.19016	18.4
259.20773	1.9
265.19415	3.5
269.12750	1.8
269.19025	50.6
271.10825	14.6
276.72818	32.7
277.19919	1.8
277.22983	5.8
283.20554	4.3
285.12332	8.0
285.24124	3.4
287.20093	29.4
295.20560	6.9
301.21674	14.1
303.13394	17.8
313.11749	9.3
313.21649	8.9
324.11411	5.3
329.14426	1.8
331.12778	10.0
331.22598	8.0
340.25882	5.3
340.76114	2.6
343.30695	12.1
349.09702	3.3
349.13235	5.7
349.23761	3.6
349.26584	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Isoramanone
Peak:m/z	Relative Intensity
55.01857	5.5
55.05500	17.6
57.03418	6.5
57.07065	6.0
67.05494	18.0
69.03436	7.5
69.07065	9.8
69.94398	16.0
69.94804	8.4
71.04985	11.2
79.05486	31.3
81.07073	34.0
81.81171	6.6
82.41452	4.2
83.01958	4.1
83.04984	6.4
83.08616	9.9
87.04491	25.2
90.38010	4.4
91.05486	39.1
93.07034	34.6
93.17178	4.6
93.72373	4.8
95.04948	4.5
95.08591	21.0
98.97589	8.8
105.07050	54.1
107.04990	8.0
107.08590	18.2
109.06498	10.0
109.10162	22.6
116.98605	6.5
117.07029	33.3
119.08593	47.7
121.10131	30.3
123.11670	9.4
129.07014	28.7
131.08583	45.8
133.10150	33.4
135.11679	17.9
137.09657	6.6
141.07007	11.1
142.07753	6.2
143.08565	36.8
143.35933	5.5
145.10127	42.6
147.08051	5.3
147.11688	16.0
149.13261	9.6
153.07025	5.5
155.08540	17.6
157.10121	36.2
159.11734	27.6
161.13266	11.1
169.10144	15.9
171.11693	28.9
173.13243	27.2
175.14771	17.2
181.10146	14.6
183.11708	23.8
185.13248	13.6
187.14842	10.9
192.09370	5.2
195.11696	8.8
197.13264	21.9
199.14816	23.7
201.37869	4.9
209.13222	13.2
211.14787	10.4
213.12788	13.2
213.16420	24.4
215.14117	7.9
215.17934	8.2
217.16005	9.9
223.14731	8.4
225.16403	14.4
226.43039	5.3
227.14262	15.0
231.13773	23.9
231.17378	7.0
241.15898	6.6
243.13792	17.1
249.16383	5.5
252.37242	5.1
253.29251	5.4
257.18961	11.8
259.16989	18.5
265.19504	8.2
267.21100	40.7
275.20129	7.2
277.19675	6.9
283.20688	12.6
285.22119	66.2
287.20084	14.3
295.20462	37.0
303.23239	6.1
313.21631	100.0
331.22662	84.6
349.17987	9.4
349.23785	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	349.2374
Annotation	Isoramanone
Peak:m/z	Relative Intensity
51.06643	2.4
52.69407	2.9
53.03942	2.8
55.05505	9.2
56.96557	7.1
57.03435	6.8
67.05507	23.3
69.07071	8.7
70.99296	2.8
70.99637	6.4
79.05499	29.6
81.07066	29.6
83.04995	7.1
83.08618	4.0
85.06559	3.1
91.05485	32.8
93.07048	31.6
95.04974	9.5
95.08614	22.7
97.06525	5.3
105.07034	29.4
107.04922	3.1
107.08598	33.7
109.06547	5.0
109.10168	9.2
115.05421	4.4
117.07017	19.7
119.08588	27.1
121.06516	4.3
121.10139	20.5
123.08050	7.2
123.11649	3.7
128.06133	3.2
129.07030	6.9
131.04933	3.8
131.08563	20.0
133.10132	23.5
135.08066	73.1
135.11661	6.2
137.09618	5.5
137.13269	3.1
142.07782	4.4
143.08615	13.3
145.10120	20.9
147.08078	3.9
147.11681	9.0
149.09628	14.6
149.13261	4.0
151.11247	4.6
155.08586	7.1
157.10133	17.2
159.08000	5.5
159.11699	17.9
161.09676	4.3
161.13319	4.7
163.11211	5.4
169.10133	7.5
171.08086	2.6
171.11717	12.4
173.13242	7.3
173.76021	2.5
175.11174	7.0
175.14717	3.2
177.12712	3.2
181.10081	4.8
183.11685	11.1
185.09572	3.5
185.13264	5.0
187.14746	2.9
189.12788	3.2
195.11737	4.4
197.13266	6.5
199.14871	2.8
201.12791	3.5
203.14351	2.5
209.13284	7.1
211.14792	2.7
213.12692	5.0
221.13272	5.3
225.16495	3.3
229.15685	3.8
232.12366	3.1
233.13200	5.1
235.14874	3.3
245.09425	3.1
247.15002	4.2
251.17882	3.9
253.19641	3.5
257.18973	3.1
267.21027	4.1
275.14285	2.8
275.20062	7.4
277.19562	8.0
285.22000	4.3
295.20596	35.6
313.21616	100.0
331.22714	48.8
349.17624	39.3
349.23837	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	349.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82349	1.2
53.03947	6.3
57.03431	3.5
61.02922	1.7
69.03431	18.2
69.64933	5.8
71.04984	5.4
81.03421	26.4
81.07052	2.3
84.04504	6.9
85.02909	59.1
85.04877	1.3
97.02888	5.4
99.04462	26.3
103.03949	64.5
109.02885	21.9
115.26225	1.1
122.02731	2.8
127.03923	100.0
144.41667	1.5
145.04965	13.1
187.06026	9.9
202.09023	3.0
203.07397	1.7
220.10008	1.4
247.11784	1.6
253.07094	4.2
271.08105	2.5
349.13614	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	349.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.4
55.01863	1.2
55.05497	2.5
57.03425	3.1
59.04969	1.3
69.03434	17.0
69.71207	5.1
69.71613	2.0
70.06589	2.9
71.05005	6.9
79.05486	1.4
81.03424	26.6
81.07056	3.5
83.04987	1.6
83.08603	1.6
84.04485	3.4
85.02908	47.4
86.09704	3.1
97.02885	4.1
97.06490	1.5
98.20847	1.9
99.04462	25.0
101.09682	1.1
103.03944	56.0
105.07027	2.9
109.02886	23.3
109.10117	1.1
110.42368	1.0
119.08585	2.6
127.03924	93.1
133.10133	100.0
145.04956	9.5
151.03893	1.3
155.10641	1.4
170.05783	1.1
179.10648	1.7
180.31406	1.2
187.06024	7.7
193.12250	1.9
202.08931	3.1
211.13342	5.9
231.04915	1.6
253.06992	2.9
271.08112	2.9
291.36203	1.0
295.10559	1.1
331.12729	2.4
349.14029	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	349.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
59.04980	0.4
67.05506	0.4
69.03427	2.1
69.54698	1.7
69.68171	0.3
70.06580	0.5
71.04993	0.4
81.03417	1.1
81.07043	0.4
83.04964	0.5
83.08610	0.9
84.04513	0.6
85.02913	1.7
86.09703	0.4
87.00824	0.3
91.05477	1.4
93.07045	0.9
97.02909	1.0
98.21525	0.7
98.97599	0.7
99.04452	0.8
99.08118	0.3
101.09654	0.4
103.03950	0.5
105.07046	3.5
107.08615	0.5
109.02885	1.2
109.10144	0.5
116.80795	0.3
116.98779	0.3
117.06958	0.5
119.08578	2.5
123.11726	0.3
127.03918	2.6
133.10139	100.0
134.10480	0.6
137.09637	0.6
141.34424	0.4
151.11223	0.5
158.79971	0.4
179.10675	1.7
193.12239	1.8
195.02892	0.3
211.13315	8.5
213.57939	0.4
231.05104	0.9
243.11211	0.3
271.10931	0.5
331.12982	0.8
349.13788	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	349.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	1.5
69.03430	6.4
69.25153	4.1
69.25567	1.6
73.02921	0.6
81.03396	1.1
82.99834	2.2
85.02912	3.5
86.99281	1.6
97.02881	0.6
98.20809	1.5
98.21469	1.0
98.97601	3.4
101.00877	11.1
105.03347	0.6
106.25045	0.7
109.01394	0.8
109.95185	0.5
110.97559	2.4
113.00867	1.0
113.81547	0.6
115.02440	0.7
119.01926	7.1
119.80650	0.6
122.06071	0.8
122.73286	0.6
123.06384	0.6
127.00721	0.6
127.02414	2.2
127.03934	0.9
128.98630	0.8
131.01886	1.4
135.37650	0.6
141.03979	3.3
143.00180	1.4
143.01904	19.0
143.05571	1.0
145.03519	7.0
145.04593	0.9
146.00064	0.6
151.02435	0.8
151.05801	1.3
155.01868	2.9
158.99586	1.0
159.05023	4.9
161.01532	0.9
161.02960	15.6
161.06505	0.6
163.04546	0.7
166.86694	0.6
167.01929	0.7
167.05566	1.7
168.06601	0.9
169.03476	41.7
169.06940	1.9
171.05060	1.2
173.02960	2.5
177.05440	0.9
183.05090	0.8
185.02950	1.3
185.06609	12.8
186.07689	0.7
187.04530	100.0
199.04546	2.0
201.06067	1.0
203.04008	8.9
203.07626	1.4
205.05620	2.8
210.06200	1.1
217.05592	2.1
219.01889	3.3
221.05147	2.2
229.05588	48.9
237.02899	2.2
241.05692	0.8
243.07149	1.8
245.05150	3.3
247.06625	5.9
259.06772	0.8
261.08136	2.8
263.06125	6.9
271.06732	1.8
289.07886	10.2
301.22073	0.6
303.07529	0.8
307.09067	4.8
321.08627	0.9
349.09879	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	349.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.6
57.03432	1.3
61.02926	1.8
62.28923	0.7
68.98280	1.0
69.03429	5.9
71.54233	1.2
73.02916	1.2
81.03430	1.0
82.99818	3.6
83.02037	0.8
85.02911	8.5
86.99339	1.8
87.04446	1.1
94.27718	0.9
97.02895	3.0
98.97585	3.3
99.04488	1.0
100.07619	1.3
101.00885	16.5
109.01430	0.8
109.02885	0.8
110.97576	1.9
113.00877	4.6
115.02444	1.1
116.98653	0.8
119.01930	11.0
127.02402	2.7
127.03915	2.3
128.98567	1.5
131.01920	7.0
133.03490	1.7
141.03972	3.5
143.01913	17.7
143.05450	0.9
145.03465	6.0
145.04991	1.9
151.02370	0.7
155.01915	5.3
158.99704	1.0
159.05043	3.1
161.02979	16.9
163.04532	1.3
167.05539	2.2
168.99825	3.4
169.03464	36.0
170.99680	1.0
171.05031	1.0
173.02945	4.6
177.04288	0.9
178.04881	1.1
183.05118	0.9
185.03006	3.1
185.06604	10.7
187.01154	3.6
187.04526	100.0
188.04651	1.1
191.03931	1.4
196.99303	2.4
199.00887	1.5
199.04485	1.4
201.00674	1.2
201.06065	1.5
203.04007	9.4
203.07704	0.8
205.05588	3.0
210.06145	1.9
215.00371	8.5
217.05600	1.9
219.01805	1.0
221.05089	4.2
223.04694	1.1
226.76430	0.8
229.02238	6.3
229.05573	47.6
243.07176	1.5
245.05101	3.0
247.03017	10.2
247.06726	5.9
250.07295	1.1
258.56973	1.2
259.02896	3.1
259.06952	1.4
261.08240	3.1
263.06195	6.9
271.06586	2.4
277.03961	0.8
289.04016	2.7
289.07690	10.9
307.08783	5.0
349.09500	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	348.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87353	0.5
53.03948	1.5
55.05514	1.1
56.05035	2.3
57.03440	3.3
60.04535	2.0
67.05519	1.3
69.03421	2.5
69.07056	1.0
70.06594	0.8
70.07530	2.4
71.04977	1.2
72.08132	0.6
73.02932	3.2
79.05506	0.9
81.03423	3.8
81.07057	1.0
84.04510	100.0
84.08149	1.4
85.02910	29.4
85.06559	0.7
86.06081	0.6
91.05494	1.2
93.07024	1.3
95.02890	0.7
95.08601	0.9
96.04502	1.6
97.02907	4.0
98.06069	2.9
98.21548	0.6
99.04459	12.8
99.08092	0.6
103.03950	33.3
105.07058	0.7
107.08562	1.1
108.04485	2.3
109.02888	9.6
110.06046	1.1
112.07626	1.3
119.58723	0.5
121.10219	0.7
124.07613	0.6
126.05525	21.3
127.03928	19.8
134.06093	0.6
136.07574	0.8
137.05914	1.2
137.09544	0.5
138.06375	0.8
140.07034	1.0
144.06561	2.5
145.04979	8.5
150.05521	2.0
156.06595	2.9
163.06088	1.4
168.06583	4.6
169.05025	3.0
186.07619	7.2
186.12038	0.7
187.05998	1.9
198.13216	0.7
204.08701	6.2
205.07100	0.8
216.15997	1.1
219.01781	0.7
228.08521	0.6
229.07088	2.6
247.08099	3.7
268.11798	1.1
277.40887	0.6
284.09070	0.7
286.12781	2.2
287.11118	0.7
312.10745	1.1
330.11853	4.8
348.12885	33.7
348.20047	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
54.11876	1.2
55.01859	1.2
55.05511	2.2
57.07060	1.5
58.37852	0.9
59.04988	2.0
60.41356	1.0
62.78917	1.0
67.05504	7.1
69.03441	9.4
69.07051	3.2
69.61028	2.3
69.61443	5.2
71.05003	7.4
79.05502	12.0
81.03403	4.0
81.07061	24.4
83.04979	2.3
83.08604	2.4
85.02910	3.1
85.06524	2.7
91.05470	13.7
93.07040	17.4
95.04963	4.3
95.06105	1.1
95.08593	10.9
97.02888	1.5
97.06522	5.2
105.07031	20.7
106.07150	1.2
107.04966	2.0
107.08602	15.2
109.02859	4.8
109.05786	2.0
109.06520	33.0
109.10167	3.0
111.08086	1.7
114.52081	1.4
115.05470	1.7
117.07023	8.0
119.08601	11.5
121.06515	6.0
121.10141	30.6
123.08057	5.5
123.11690	7.5
125.05972	3.3
125.09616	4.8
127.03909	2.7
128.06218	1.9
129.07001	6.1
131.08598	13.9
133.10120	8.2
135.08034	8.9
135.11667	2.2
137.09622	1.6
139.11195	6.9
141.06978	2.4
142.07738	2.6
143.08559	15.1
143.10657	8.5
145.10109	18.0
145.86826	1.4
146.05925	1.9
147.08025	3.8
147.11682	8.8
149.09650	7.8
153.07028	1.6
154.02827	1.2
154.69704	1.4
155.08549	8.2
157.10106	12.8
159.08051	2.4
159.11708	12.5
161.09602	5.1
163.11128	3.9
165.09099	1.5
167.08527	2.6
167.10675	16.9
169.10094	6.9
171.11723	9.4
173.09584	2.8
173.13246	4.9
175.11203	3.7
180.09285	1.9
181.10101	4.8
182.11011	1.4
183.11731	6.0
185.10020	1.4
185.11710	11.7
185.13315	4.2
187.11191	2.4
189.12657	2.2
193.10135	1.3
195.11737	5.7
197.09560	1.2
197.13280	6.5
199.11156	2.9
199.14804	3.2
201.12814	2.7
207.11816	2.1
209.13196	6.9
211.14774	2.1
213.12740	1.5
213.16447	2.5
215.14368	3.0
220.21565	1.1
223.14871	2.6
225.12817	1.7
225.16284	3.1
227.14360	2.8
227.17934	1.6
237.16501	5.4
239.17996	4.6
249.16306	2.9
251.17876	1.3
255.17442	100.0
257.19022	6.7
263.17892	2.2
267.17435	5.6
273.18491	28.4
275.19989	2.0
281.18958	6.3
283.20599	2.7
285.15421	2.2
285.18488	42.8
293.18927	2.0
299.20087	36.6
303.19553	78.7
304.19675	1.2
311.14905	4.0
311.19803	7.6
315.13141	1.3
329.10059	1.4
329.15771	4.4
329.21207	8.8
329.61633	1.2
347.07593	2.2
347.11899	1.2
347.16476	1.9
347.22217	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	347.2216
Annotation	meso-chimonanthine
Peak:m/z	Relative Intensity
50.12511	0.3
53.03934	0.8
55.05529	1.5
57.03423	0.4
63.44257	0.3
67.05495	2.1
69.03440	0.7
69.07059	1.4
71.05000	0.5
71.41804	0.4
74.28838	0.3
77.03928	0.4
79.05494	2.6
81.07060	2.1
83.04971	0.6
83.08621	0.5
85.06542	0.5
91.05485	6.8
93.07036	5.8
95.04955	1.2
95.08605	3.5
97.06526	0.8
97.10157	0.4
98.21519	0.6
105.04493	0.6
105.07030	4.1
107.04930	0.7
107.08595	3.4
109.06503	0.6
109.10145	1.0
111.08072	4.7
113.09657	1.7
115.05490	0.4
117.07035	2.5
119.08575	3.7
121.06516	0.6
121.10130	2.4
123.08047	0.8
123.11685	0.4
125.09653	0.5
129.07033	2.7
130.07693	0.3
131.04971	0.6
131.08572	4.1
133.10144	3.2
133.15311	0.3
135.08063	3.6
135.11693	1.2
137.09596	1.5
141.06989	1.7
142.07777	0.6
143.08559	3.9
145.06488	0.4
145.10112	4.3
147.08069	0.9
147.11707	2.5
149.09602	1.0
149.13339	0.4
151.11307	0.3
154.07764	0.6
155.08510	2.1
156.09349	0.3
157.10130	2.6
159.08032	0.5
159.11716	1.9
161.09593	1.0
161.13266	1.4
165.06891	0.5
167.08601	0.9
169.10118	2.4
171.11678	4.5
172.12492	0.5
173.13242	2.7
175.11185	0.8
175.14780	0.5
179.08549	0.4
181.10115	1.8
182.10896	0.7
183.11696	2.2
185.13275	1.2
187.11174	0.7
187.14845	0.7
189.12744	1.2
193.10019	0.5
194.10948	0.6
195.11725	2.4
196.12471	0.5
197.13312	1.3
199.11206	0.5
199.14787	1.6
201.12730	0.9
206.10757	0.4
207.11813	0.7
208.12494	0.6
209.13264	2.3
210.13904	0.4
211.14839	1.5
215.14232	0.5
217.15918	0.4
219.11612	0.4
221.13309	1.2
223.14801	1.6
225.16397	1.0
227.14362	0.9
229.15877	0.7
231.11664	0.6
232.00841	0.3
235.14946	0.5
236.15645	0.7
237.16347	0.9
239.17973	0.9
241.15883	0.7
245.13066	0.4
247.14700	0.4
249.16345	0.3
250.17104	0.4
265.19534	2.2
269.43732	0.3
275.18219	0.4
281.19104	0.4
283.20645	2.0
293.19006	1.4
311.19986	2.2
329.21005	1.0
347.22171	100.0
348.22534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2217
Annotation	Cortexolone
Peak:m/z	Relative Intensity
53.03947	0.7
55.05517	1.9
65.03908	0.5
67.05505	2.4
67.17725	0.3
69.03428	0.8
69.07050	0.8
74.25701	0.3
79.05498	2.4
81.07056	2.0
82.83903	0.3
83.04980	0.5
83.08608	0.5
91.05482	6.1
93.07053	5.3
93.88040	0.3
95.04943	1.0
95.08609	3.3
97.06533	0.4
98.20712	0.8
105.07034	4.3
107.04944	0.7
107.08605	3.5
109.06533	0.8
109.10160	0.8
111.08076	2.6
113.09634	1.2
115.50301	0.4
117.06999	2.2
119.08581	3.3
120.43435	0.4
121.06490	0.4
121.10146	2.4
123.08092	0.6
128.06242	0.5
129.07014	2.0
131.08569	3.9
132.21016	0.4
133.10130	2.7
135.08044	1.8
135.11694	0.7
137.09601	1.2
141.06984	1.2
142.07800	0.6
143.08543	3.5
145.10117	3.7
147.08014	0.7
147.11667	2.1
149.09619	1.0
151.11218	0.5
154.07750	0.7
155.08562	2.2
156.09387	0.5
157.10150	3.1
159.08070	0.7
159.11707	2.2
161.09586	0.6
161.13260	1.3
163.11111	0.5
165.07021	0.8
167.08652	0.9
169.10144	2.0
171.11682	3.9
172.12444	0.8
173.09494	0.4
173.13268	2.3
175.11252	0.3
179.08591	0.6
180.09276	0.3
181.10141	1.3
183.11649	1.8
185.09686	0.4
185.13251	0.8
187.11249	0.6
187.14854	1.0
189.12750	1.2
192.09467	0.4
193.10187	0.5
195.11780	2.1
196.12425	0.5
197.13222	1.9
199.11208	0.8
199.14842	1.4
201.12617	0.6
201.16406	0.4
207.11693	1.0
208.12468	0.5
209.13287	1.4
211.14838	2.0
213.12784	0.5
213.16377	0.5
221.13240	0.5
223.14818	1.5
225.16286	0.9
227.14270	0.6
229.15866	0.7
236.15602	0.5
237.16364	0.9
239.17986	0.8
251.17838	0.4
265.19550	1.7
275.17911	0.4
281.19113	0.4
283.20593	1.7
293.19006	1.1
311.20105	1.3
329.21124	0.9
347.22180	100.0
348.22513	1.2
351.48505	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1703
Annotation	Rehmapicroside
Peak:m/z	Relative Intensity
53.03939	2.7
53.46620	1.1
55.01871	1.6
55.05511	4.3
57.03430	2.4
57.07056	1.7
59.04995	5.5
67.05513	9.7
67.41550	0.9
69.03432	13.6
69.07059	4.8
71.04607	1.5
71.04998	21.8
71.56290	1.8
77.03902	1.5
79.05500	19.0
81.03421	10.7
81.07064	46.4
83.04974	3.8
83.08601	2.3
85.02913	8.2
85.06535	4.1
91.05488	15.7
93.07055	24.0
95.04985	5.2
95.06114	2.8
95.08614	18.5
97.02898	6.2
97.06541	12.9
97.10167	2.0
99.04465	2.3
101.53651	1.3
105.06382	1.7
105.07041	23.2
107.04957	3.2
107.08599	19.5
109.02890	9.2
109.06527	36.7
109.10133	4.4
111.08067	2.1
113.09641	2.5
115.05438	1.2
117.06999	8.1
119.08579	14.8
121.06502	6.7
121.10155	95.9
123.08092	7.7
123.11714	24.8
125.05998	14.9
125.09641	11.3
127.03918	8.7
128.06169	1.1
129.06996	8.5
131.08580	13.7
133.06519	1.3
133.07651	1.0
133.10138	7.2
135.08098	10.7
135.11714	2.3
136.07585	1.2
137.05988	2.2
137.09593	2.9
139.11185	26.9
141.06976	3.2
142.07800	2.0
143.08591	16.0
143.10683	12.8
145.04936	2.1
145.10149	22.4
147.08040	3.4
147.11684	8.5
149.09621	13.3
149.13206	1.0
154.07738	1.7
155.08600	7.4
157.06572	1.5
157.10123	14.2
159.08112	2.5
159.11694	14.3
161.09631	4.2
161.13214	2.6
163.11192	5.4
167.08495	2.3
167.10686	54.9
169.10146	5.9
171.11697	9.6
173.09656	2.6
173.13298	3.4
175.07585	1.4
175.11205	3.8
179.08495	1.6
181.10150	5.7
183.11676	6.2
185.09863	2.1
185.11751	36.2
185.13264	3.2
187.11176	2.8
189.12723	3.3
193.10213	1.6
193.12172	1.6
194.10973	1.1
195.11682	4.9
197.13274	7.2
199.11206	2.5
199.14865	3.8
201.12741	2.7
207.11772	3.1
209.13275	4.8
211.14827	3.2
213.16321	2.5
215.14285	3.5
221.13351	2.0
223.14691	2.5
225.16399	1.5
227.14316	3.3
227.17961	1.3
237.16406	4.9
239.17915	3.3
245.91797	1.0
249.16269	2.0
255.17458	100.0
257.19000	7.0
267.17419	5.9
269.19061	1.3
273.18509	26.0
275.20108	1.6
278.56656	1.0
281.18973	8.6
283.20493	2.0
285.15396	2.2
285.18506	40.1
293.13834	3.5
293.19061	3.4
299.20068	37.7
301.21527	1.2
303.19574	82.3
311.14868	12.6
311.20074	6.1
315.13568	1.7
329.11713	1.9
329.15900	19.9
329.20520	8.5
331.04565	1.9
347.07843	7.8
347.12335	2.0
347.17056	10.9
347.21631	8.2
347.26172	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.17
Annotation	Rehmapicroside
Peak:m/z	Relative Intensity
53.03941	2.1
55.01862	0.8
55.05507	2.3
57.03433	1.8
57.07063	2.0
57.24073	0.8
59.05013	5.0
63.64813	0.6
67.05518	3.1
69.03430	8.2
69.07065	3.4
69.50987	3.2
69.51395	1.6
71.04995	19.4
73.02911	0.7
79.05495	11.7
81.03419	14.0
81.07060	39.7
82.77843	0.6
83.04980	0.8
83.08620	0.6
84.57239	0.6
85.02908	8.9
85.06541	1.3
87.04452	0.9
91.05488	3.6
93.07049	14.9
93.53621	0.6
95.04965	2.5
95.06075	1.6
95.08610	14.8
97.02890	4.1
97.06532	9.0
98.21479	1.3
99.04471	2.4
100.11221	0.7
105.07042	6.5
107.04943	2.4
107.08604	7.3
108.78819	0.6
109.02877	9.2
109.06515	1.6
109.10178	1.3
110.09731	0.7
111.08067	0.8
117.07014	0.8
119.08565	2.5
121.06475	1.5
121.10148	100.0
121.24331	0.7
123.08085	2.9
123.11714	23.2
125.05999	15.9
125.06865	1.3
125.09631	8.3
127.03926	6.9
129.07118	0.7
131.08580	1.7
133.07631	1.2
133.10117	1.0
135.08083	0.8
135.11673	1.2
136.06206	0.9
137.05992	1.4
139.11186	27.0
143.10645	1.8
145.04962	1.0
149.09621	8.1
157.10170	0.8
159.11716	1.0
167.10683	53.6
185.11743	31.4
185.13403	1.6
193.12300	1.2
202.69548	0.7
227.12805	1.2
239.12767	1.6
241.09598	1.5
257.13702	1.1
261.14996	1.4
269.09061	1.1
272.10532	0.9
275.12750	1.3
287.10284	1.8
293.13846	3.2
311.14886	16.0
329.11377	4.5
329.15994	21.7
347.12164	2.4
347.17026	9.3
347.21552	0.8
347.22452	0.7
347.26395	1.4
357.11984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1237
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
53.61010	0.8
55.01859	2.2
55.05499	1.6
56.96569	0.7
60.04519	1.0
63.98398	0.7
65.03945	3.7
67.05492	4.7
67.07457	0.7
69.03429	1.2
69.07056	0.8
70.06585	1.6
71.55489	1.0
72.08144	1.8
75.99142	0.7
79.05501	1.6
81.03401	0.8
81.07047	2.3
83.04961	1.1
84.08123	1.0
85.02922	1.8
86.09647	0.7
91.05487	2.1
92.04999	9.6
93.07027	1.7
94.06554	2.1
95.04962	2.6
95.08600	1.2
96.04483	1.9
97.02913	0.8
99.36621	0.6
105.07017	1.1
105.51340	0.7
105.72343	0.6
107.04926	1.0
107.08604	2.7
108.10485	0.7
109.02893	1.4
109.06470	1.1
109.49298	0.7
110.06021	1.5
111.04433	1.2
119.04949	1.7
120.04453	5.4
120.08098	1.7
121.06496	2.6
121.10168	1.4
121.33416	0.7
122.03603	0.7
122.06027	2.4
124.07560	1.1
136.07605	2.0
137.05995	10.1
138.05502	9.7
140.07014	0.9
143.08569	0.9
146.05930	1.0
148.03918	1.2
149.05959	3.0
149.09587	1.4
150.06683	0.7
151.07547	2.4
153.06961	1.8
155.07040	0.9
162.05492	0.9
164.07086	7.7
165.07001	0.8
166.05002	6.5
167.08545	1.0
167.10683	1.9
170.09676	2.1
173.76303	0.9
175.07510	1.0
176.07143	1.5
178.05011	1.4
180.08055	0.8
181.05009	1.2
181.06488	2.7
182.08205	5.4
183.06744	1.0
184.06152	1.0
184.07587	1.1
185.07069	1.3
185.11719	2.5
193.04997	1.3
194.09671	0.9
196.07539	1.9
198.09190	8.5
199.08652	2.5
199.10274	0.8
201.10268	0.9
210.09198	1.4
212.10793	1.8
213.06723	1.2
213.10315	7.2
214.08699	2.4
214.10939	1.0
215.08125	1.7
225.09148	1.3
226.06665	1.3
226.08684	14.0
227.08144	4.9
227.11789	1.8
229.09695	1.1
231.11330	1.0
238.08638	1.2
239.11827	0.8
240.10329	4.0
241.09776	21.9
242.10449	3.0
255.11360	5.2
256.09662	2.9
258.08902	1.3
258.11337	1.7
259.10803	4.4
260.11481	1.4
265.09854	1.7
266.08035	0.8
267.11157	2.9
268.09796	5.7
269.09250	6.3
272.10468	1.2
273.11392	3.3
283.10739	6.3
284.09186	2.0
285.11398	1.4
286.10773	3.7
287.10291	14.7
299.09073	2.5
301.11859	13.0
311.10199	4.2
317.10159	1.3
319.12842	5.6
329.07599	1.1
329.11099	6.4
329.14874	1.5
347.12372	100.0
347.29022	1.5
348.12381	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.2
55.05500	0.7
63.43151	0.4
63.53516	0.5
67.05488	1.0
69.07054	1.3
70.30313	1.7
70.50499	0.4
71.04999	0.7
79.05501	1.2
81.03396	1.3
81.07028	0.9
83.04968	0.6
84.04504	0.6
85.06538	0.8
91.05473	0.7
95.04969	0.8
95.08608	0.9
105.07028	0.8
106.06555	0.6
107.08543	0.7
108.04485	0.6
109.02873	0.9
109.10173	0.8
110.06038	0.7
121.10146	0.7
122.05994	0.6
123.08060	0.5
128.06190	0.6
130.06570	0.7
131.08543	1.0
134.05974	0.7
137.06027	1.1
138.05504	0.8
143.08522	0.6
144.08139	0.5
152.03423	1.2
157.07654	0.6
157.10101	0.7
160.03923	1.6
162.05486	1.0
167.07195	0.6
167.10638	0.7
168.08104	0.7
169.07581	0.7
170.08249	0.6
170.09653	0.7
176.07130	0.8
178.05017	3.0
183.09193	1.0
184.07684	0.8
185.07120	2.2
185.10600	0.8
186.09187	1.2
187.04987	2.9
195.09126	0.7
196.07680	0.5
197.07094	1.1
198.07817	0.9
198.09413	0.6
199.08672	5.0
199.12318	0.8
200.07253	0.8
200.09169	0.8
200.10870	1.2
201.06625	4.4
201.10263	1.6
202.08685	0.5
205.06049	0.9
209.07079	0.8
209.10703	1.2
210.09114	1.5
211.08676	2.3
212.09238	1.0
213.06644	6.7
213.10245	5.6
213.12347	0.6
213.12741	0.4
215.08203	0.6
215.11743	0.7
222.07945	0.7
223.08646	1.2
224.07271	0.6
225.10141	0.7
227.08182	8.8
227.11659	4.0
228.10368	0.9
229.09758	3.7
231.07596	3.6
231.11378	0.6
237.10226	3.1
238.08626	1.9
239.08174	1.6
239.11653	0.7
241.09753	6.9
243.11345	0.7
245.09160	1.7
250.07353	1.5
251.08153	1.0
253.25418	0.6
255.07649	10.2
255.11314	6.7
256.09808	0.5
257.09265	1.9
257.12830	1.0
258.11307	0.6
259.10818	2.0
264.09058	0.6
265.09763	4.7
266.08212	0.6
267.07608	3.3
269.09235	8.2
273.08655	6.0
273.11557	0.7
275.10306	0.8
277.47223	0.6
283.07632	0.8
283.10764	19.1
284.09030	1.0
285.12213	0.6
285.18887	0.6
287.10229	2.8
293.09177	6.8
301.11761	5.7
311.10266	43.2
312.10342	0.5
315.13431	1.5
319.13013	2.3
329.11316	67.8
330.11502	1.1
347.12378	100.0
348.12662	1.6
349.19070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1237
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01863	2.0
64.07871	0.6
69.03431	1.1
70.68198	1.9
81.03359	0.7
85.06531	0.9
93.65166	0.7
100.67915	0.6
107.08554	0.7
108.04503	0.7
109.02765	0.6
111.78192	0.7
121.06601	0.7
121.10120	1.2
124.75636	0.6
138.05516	1.0
151.56859	0.7
152.03456	1.4
160.03899	1.2
167.10657	0.9
172.07706	0.8
178.05017	2.1
183.09288	0.9
185.07016	1.7
185.11827	1.6
187.05028	2.0
198.07751	1.5
199.08658	3.5
201.06602	3.0
201.10162	0.8
210.09120	1.5
211.08693	2.3
212.07463	0.9
213.06561	4.9
213.10117	3.3
215.00870	0.7
222.08150	1.2
224.31314	0.7
227.08177	6.3
227.11726	1.7
229.09705	1.7
231.07626	2.9
237.10252	2.0
238.08629	2.0
239.08133	1.2
239.11801	0.7
241.09747	3.6
243.11205	0.9
245.09047	0.8
255.07651	9.6
255.11322	5.6
257.09192	2.5
257.13040	1.2
259.07104	1.0
265.09744	3.6
267.07706	1.8
269.09247	6.8
273.08725	3.7
273.11444	0.8
283.07660	0.7
283.10745	15.3
287.10233	2.4
291.45688	0.8
293.09210	5.4
299.09158	0.9
301.11829	3.2
311.10257	33.3
319.12851	1.7
329.11319	49.8
347.12372	100.0
348.12802	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87179	10.4
67.45958	9.6
70.12949	35.1
103.72181	9.8
161.59140	11.5
248.89812	13.0
254.16484	9.6
346.08951	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.0
55.05511	37.8
57.03436	8.9
59.04991	6.0
67.05507	100.0
69.07074	41.6
71.04985	9.8
73.74741	4.3
79.05505	37.1
81.07062	92.6
83.04988	13.3
83.08629	25.0
91.05486	27.8
93.07053	41.3
95.04949	7.3
95.08611	45.5
97.06506	12.7
97.10159	21.4
98.97614	5.4
105.07026	30.7
105.48679	5.3
107.04908	6.0
107.08606	49.2
109.06515	10.2
109.10155	63.3
111.08121	5.0
114.90407	4.8
117.07018	10.7
119.08594	26.5
120.08886	6.0
121.10120	18.3
123.08095	8.0
123.11700	6.4
125.09637	20.2
131.08571	12.6
133.06355	5.4
133.10133	18.7
135.08080	5.7
135.11693	10.9
145.10138	11.9
147.11679	15.7
149.09642	12.5
149.13268	22.1
155.10687	21.6
157.10040	4.7
159.11653	13.1
161.13132	6.0
163.11133	10.3
173.11737	86.3
177.12816	8.1
189.11186	17.9
195.13838	33.2
213.14801	24.2
257.18961	11.3
275.20053	77.2
293.21027	26.5
328.25507	13.4
334.94342	5.1
346.18869	9.8
346.27023	14.7
347.16534	6.0
347.22504	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	345.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.05492	25.1
57.03424	3.5
57.07067	16.9
57.07322	3.6
57.62264	3.7
58.82911	3.7
59.97113	3.7
60.17210	3.5
61.78643	3.5
67.05510	30.8
68.01898	3.5
69.06722	5.6
69.07069	62.8
70.44209	14.5
71.08627	9.6
79.05501	18.0
80.53271	3.3
81.07058	100.0
83.08629	26.5
85.06548	22.2
91.05453	13.9
93.07040	41.8
95.08609	88.5
97.06510	7.8
97.10155	17.4
98.20894	4.6
99.08087	13.5
105.07021	26.2
107.08600	47.8
109.10159	71.0
109.36742	3.3
111.08075	15.8
111.11727	22.8
113.02936	3.8
113.09628	5.0
119.08586	25.4
121.10136	37.8
123.11716	34.8
125.09627	8.4
125.13249	20.3
133.10120	12.0
135.11705	23.2
137.13257	9.3
139.11153	3.8
142.06755	3.5
143.14330	5.0
147.11627	19.2
149.13251	26.3
151.14812	6.3
161.13295	15.2
163.14807	12.3
165.12726	5.7
169.15858	5.0
175.14792	7.7
177.16400	5.8
178.06331	5.4
181.15875	4.7
191.17944	29.9
205.19475	7.4
217.19501	44.4
223.20473	5.6
225.22159	10.2
235.20555	38.4
244.03935	4.8
253.21622	23.7
255.02942	6.7
287.05420	5.9
291.26898	13.8
315.04916	39.8
321.42462	4.0
330.07367	15.0
345.09698	71.7
345.20660	6.2
364.00153	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57480	2.5
55.05515	13.7
57.07055	6.5
67.05506	23.6
69.03443	4.3
69.06720	4.2
69.07067	47.5
70.05646	5.9
70.06053	10.0
71.05005	3.4
79.05494	15.0
81.06586	4.8
81.07061	92.0
83.04998	4.0
83.08624	16.2
84.08138	9.1
85.06542	5.3
91.05492	4.3
93.07041	27.5
95.08611	100.0
97.06541	13.8
97.07152	2.4
97.10158	10.9
99.08087	19.1
103.22143	2.8
105.07027	4.5
107.07960	3.3
107.08601	27.2
109.10161	85.6
111.08091	5.4
111.11738	15.9
113.09654	7.0
115.07580	3.9
119.08598	5.2
121.10088	13.4
123.11708	39.9
127.01400	2.8
135.11700	26.1
137.05998	8.7
137.13260	6.7
139.11157	2.9
147.11708	4.5
149.13266	50.8
151.44135	2.9
161.13286	3.4
163.14859	11.4
165.16389	6.2
167.14374	4.3
177.16399	4.1
179.17935	2.9
203.14311	2.8
205.19530	52.8
223.20566	31.3
255.06003	3.0
285.08627	4.0
291.26852	12.9
345.13693	4.1
369.58960	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	345.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	16.1
63.13628	7.0
67.05489	22.2
69.07071	35.1
70.87663	13.8
70.87972	8.7
79.05489	18.8
81.06649	8.4
81.07060	100.0
83.08600	12.2
85.06526	13.8
91.05447	9.4
93.07032	26.3
95.08060	8.2
95.08609	95.9
97.10187	13.7
105.07031	11.0
107.08584	30.8
109.10151	57.4
111.08080	16.7
111.11674	13.2
115.12842	5.8
119.08566	11.3
121.10143	18.6
123.11742	38.3
132.03566	5.4
135.11671	23.0
137.05974	22.8
137.13269	10.2
146.99641	6.5
149.13237	20.2
163.14786	20.7
181.15958	9.0
205.19427	9.3
211.14687	6.7
256.60641	7.2
279.26779	8.8
291.26889	30.7
309.27924	7.4
339.82401	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	345.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.4
55.05503	14.1
57.07074	4.5
62.43739	3.3
62.60407	3.5
62.60714	3.5
66.51141	3.2
67.05499	25.5
69.03424	7.4
69.07074	29.2
70.06606	8.3
71.05000	8.5
72.08144	3.3
79.05499	18.8
81.07060	100.0
81.15361	3.3
83.04962	6.3
83.08629	14.5
85.06556	12.4
87.18137	3.8
88.06676	3.4
91.05484	8.2
93.07051	32.6
95.04967	3.3
95.08610	72.2
97.06544	8.3
97.10185	9.5
98.21560	6.8
99.08072	6.2
105.07052	10.5
107.08610	30.3
109.09460	6.0
109.10166	80.2
110.08675	3.0
111.04440	3.0
111.08114	6.6
111.11714	10.9
113.09690	5.2
119.04980	3.7
119.08614	13.0
121.10134	20.0
123.08105	5.5
123.11693	26.9
125.09589	6.3
127.03951	4.2
127.11202	10.0
131.08543	3.3
133.10114	5.0
135.11717	13.3
137.05945	17.0
137.09604	6.6
137.13240	20.4
139.11195	3.9
145.10130	4.2
149.13268	21.8
151.07600	4.3
151.14798	4.5
153.12729	6.5
161.06009	10.0
161.13281	4.9
163.14841	16.2
165.12718	3.3
167.07082	7.0
170.11797	7.5
171.12093	11.2
177.16370	6.7
181.15764	5.0
183.06616	3.9
183.13843	6.4
191.17931	6.2
204.41714	3.5
205.19514	9.1
229.06174	5.5
229.36436	3.6
247.24156	4.5
257.05545	6.1
257.09207	4.0
271.27847	3.8
273.25803	5.3
279.26807	9.0
285.08594	8.3
291.26831	35.6
309.27869	25.1
313.10785	9.9
314.11584	3.6
340.99014	3.8
345.13776	12.4
345.20834	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
57.60461	0.6
59.74376	0.7
62.12406	0.7
67.05484	2.4
69.03450	1.1
69.07060	1.7
71.54994	1.1
74.89462	0.7
75.10924	0.7
79.05517	3.7
81.03428	13.9
81.07078	3.7
82.83550	0.8
83.04975	0.9
91.05465	4.0
93.07063	3.7
95.04976	7.7
95.08636	3.9
97.06521	0.7
105.07031	5.0
107.04952	1.9
107.08601	6.6
109.06529	1.3
109.10198	1.1
113.83578	0.7
117.07037	1.8
119.08604	3.8
121.06532	1.2
121.10130	1.5
128.06250	1.0
129.07010	2.2
131.08548	3.3
133.06499	3.2
133.10135	1.1
135.08078	6.5
141.06976	1.5
141.98199	0.8
142.07787	2.2
143.08585	1.5
145.10124	2.1
147.08035	1.3
147.11684	1.3
149.14801	0.9
153.07027	3.1
154.07767	6.8
155.08574	2.2
156.09413	0.8
157.10106	3.5
161.09642	3.2
163.11162	1.5
165.07060	1.1
167.08566	2.5
168.09337	6.3
169.10144	100.0
171.11655	2.1
173.09589	0.7
175.11200	8.6
179.08644	1.9
181.10114	3.6
182.10971	1.4
183.11713	72.6
185.13254	2.2
189.12740	3.2
193.10190	3.3
194.10933	2.7
195.11682	7.8
206.10934	1.1
207.11723	3.0
208.12463	2.1
209.13274	10.7
211.14732	1.2
216.55832	0.8
219.11668	0.7
221.13319	4.1
223.14944	5.1
231.11690	1.0
233.13239	1.0
235.14822	1.8
237.16386	1.4
245.13298	1.4
248.15680	1.0
251.17990	5.4
263.17920	2.4
271.14792	0.8
275.14325	1.1
277.19489	5.6
327.20935	1.5
345.22150	25.3
346.22748	0.8
350.71094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.8
54.58123	0.8
65.15039	0.7
67.05513	2.5
69.03458	1.7
69.07082	2.1
69.45034	0.7
73.98485	0.8
79.05509	2.7
81.03423	13.6
81.07073	3.4
83.05019	1.4
91.05495	3.9
93.07065	4.3
95.04972	7.2
95.08611	5.1
97.06546	1.0
105.07048	5.8
107.04965	1.1
107.08587	7.9
109.06503	1.0
109.10180	0.8
117.07056	1.6
119.08600	3.5
121.10133	1.2
123.08118	1.0
128.06215	1.2
129.07021	1.9
131.08591	3.7
133.06467	3.8
133.10153	1.9
135.08084	7.4
141.07018	2.3
142.07819	2.2
143.08556	1.5
145.10168	1.8
147.08040	2.3
147.11740	1.6
153.07018	2.7
154.07800	6.2
155.08571	2.5
157.10127	2.5
161.09584	1.9
163.11176	1.8
165.07019	1.7
167.08551	2.5
168.09386	5.4
169.10136	100.0
171.11681	1.3
173.09669	1.0
175.11209	7.0
179.08530	1.5
180.09386	1.6
181.10115	2.6
183.11708	77.6
184.12027	1.0
185.13303	1.3
189.12746	3.8
190.13489	1.1
193.10190	1.6
194.10909	2.5
195.11694	8.2
196.12448	1.2
197.13390	1.2
207.11659	3.8
208.12476	1.5
209.13261	10.8
211.14903	1.0
219.11761	2.0
221.13251	4.9
222.13876	1.0
223.14816	6.2
232.12573	0.9
233.13286	1.8
235.14755	1.7
236.15598	1.1
245.13231	1.5
247.14697	0.9
248.15681	0.9
249.52744	0.8
251.17961	4.5
259.14716	0.9
263.17932	1.6
271.14728	1.3
273.16562	0.8
275.17917	1.1
277.19623	4.8
289.16074	1.1
301.16022	0.9
301.19653	1.3
303.17212	1.0
327.20676	1.2
330.19766	0.9
345.18628	1.6
345.22009	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	345.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01868	1.2
55.05498	0.8
67.05506	2.7
69.03416	2.2
69.07042	1.6
70.24990	2.1
74.06084	1.5
74.12893	0.8
79.05489	3.4
80.05289	0.7
81.03424	12.4
81.07051	2.9
83.04985	1.7
88.07618	3.4
89.07966	1.7
91.05469	3.1
93.07040	4.1
95.04968	6.6
95.08604	3.5
98.97573	1.4
105.07043	5.0
107.04924	0.9
107.08604	6.6
108.73324	0.8
109.10080	0.8
115.05360	0.7
116.98598	1.6
117.06998	1.4
119.08563	3.2
121.06479	1.3
128.06157	1.5
129.07004	1.7
131.08560	1.4
133.06488	3.3
133.10135	1.1
135.08061	5.4
141.07011	2.3
142.07800	1.4
143.08588	1.9
145.06517	1.1
145.10149	1.6
147.11667	1.3
153.07021	2.3
154.07797	6.1
155.08522	2.9
156.09328	1.0
157.10117	3.0
161.09612	1.3
163.11220	1.8
165.07047	1.3
167.08537	2.7
168.09363	5.8
169.10129	100.0
170.10632	0.8
171.11711	1.2
173.09677	1.3
175.11189	7.0
179.08540	3.0
180.09262	0.8
181.10066	3.3
183.11697	71.0
185.13300	2.3
186.66519	0.8
189.12764	3.2
192.09520	0.8
193.10117	1.9
194.10927	1.6
195.11761	7.2
196.12436	0.9
197.13271	1.4
206.10953	1.6
207.11670	3.4
208.12468	2.2
209.13239	9.5
219.11664	1.9
220.12439	1.1
221.13278	4.2
223.14792	3.7
224.15724	0.8
235.14912	1.0
237.16412	1.3
245.13235	1.5
251.17906	4.4
256.12466	1.0
259.14828	1.2
261.16360	1.2
263.18048	1.0
265.19861	0.8
275.18036	1.0
277.19522	4.1
345.18344	3.3
345.22055	24.3
345.26233	1.2
345.31699	6.1
345.35562	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.6
55.01870	0.7
55.05516	0.9
67.05503	1.8
69.03429	1.1
69.07066	1.1
69.36319	1.2
69.36732	1.9
75.65578	0.4
79.05499	2.9
80.21710	0.4
81.03426	12.4
81.07066	2.3
83.04990	1.3
88.07626	0.4
91.05482	4.4
93.07058	2.3
95.04982	5.8
95.08624	3.3
97.06552	0.4
105.07042	4.1
107.04951	0.6
107.08614	6.2
109.06453	0.4
109.10133	0.5
111.08099	0.4
115.05433	0.6
117.07027	1.1
119.08598	2.2
121.06508	1.1
121.10150	0.5
123.08066	0.5
128.06268	0.8
129.06995	2.1
131.08588	2.4
133.06528	3.6
133.10165	1.2
135.08051	4.8
141.06963	2.5
142.07799	1.5
143.08597	1.4
143.54466	0.4
145.10147	1.6
147.08101	1.0
147.11725	0.7
153.06984	2.7
154.07780	6.4
155.08611	2.3
156.09355	0.8
157.10153	2.3
159.11681	0.5
161.09648	2.0
163.11252	2.2
165.07066	0.6
166.07854	0.6
167.08569	2.2
168.09352	6.8
169.10144	100.0
170.10498	0.8
171.11717	0.8
173.09634	0.8
175.11195	6.7
179.08575	1.7
180.09349	1.0
181.10182	2.0
182.10941	0.6
183.11714	69.4
185.13272	1.5
189.12737	3.4
192.09393	0.6
193.10139	2.6
194.10944	2.3
195.11719	6.2
196.12485	0.4
197.13303	1.3
206.10974	1.0
207.11652	3.5
208.12488	1.1
209.13284	9.2
209.14963	0.4
211.14732	0.9
219.11790	1.4
220.12450	0.5
221.13245	4.2
222.14082	0.8
223.14793	2.7
231.11702	0.7
232.12541	0.5
233.13228	0.9
235.11145	0.5
235.14861	1.5
237.12729	0.7
237.16350	0.9
245.13240	1.0
247.14847	1.0
249.16350	0.6
251.17914	3.9
254.03934	0.4
259.14853	0.5
263.17950	1.0
271.14877	0.9
275.14212	0.6
277.19531	5.5
289.15942	1.1
301.19592	1.2
317.22565	0.5
327.21207	1.4
330.19843	0.6
345.22141	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41414	0.8
54.52167	0.9
55.01864	1.1
67.05495	2.5
69.03419	2.1
69.07059	1.3
70.06590	2.1
71.04984	2.1
71.54678	1.0
72.08141	1.1
79.05477	3.5
81.03410	1.6
81.07059	3.8
83.04978	0.8
84.04488	1.2
85.02900	2.4
86.09706	3.7
87.10020	1.6
91.05480	4.4
93.07024	2.3
94.04192	3.7
95.04968	2.4
95.08604	2.2
97.02870	1.1
97.06541	1.0
103.05476	7.8
105.07044	7.4
107.04939	2.7
107.08569	1.5
109.02975	0.8
109.06532	2.0
109.10155	1.2
111.04446	1.0
113.05972	1.5
115.05445	1.6
116.07119	1.5
117.06998	1.7
117.41945	0.8
119.08562	2.6
121.06474	1.9
121.10117	1.0
122.03652	8.3
123.08041	2.3
127.03899	0.9
129.07014	2.0
131.04924	9.0
133.06503	19.3
135.08058	7.5
137.05983	100.0
137.09579	1.6
143.08562	1.3
145.06450	3.1
147.08084	1.4
147.11618	1.4
149.05962	1.7
151.03923	1.0
151.07574	4.7
157.06485	1.3
161.05951	0.8
163.07547	32.7
165.09117	1.8
167.06990	0.9
171.08093	1.2
175.07571	3.0
177.09111	1.0
178.07961	0.8
183.10202	1.1
183.13760	0.8
184.05904	1.2
185.16624	1.0
186.16798	1.5
189.09125	2.1
191.07056	0.9
203.10620	1.7
207.08051	1.6
215.94383	0.8
235.07399	1.2
235.11237	1.2
253.08681	3.1
262.47864	0.9
263.10709	2.1
267.10330	1.1
293.38156	0.8
295.13348	2.8
299.09171	0.8
299.13229	0.9
299.64230	0.8
313.10638	1.6
327.16016	1.2
345.09964	1.2
345.13846	1.7
345.21036	1.0
345.25162	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.4
61.50807	2.2
67.05498	4.2
69.03429	6.3
69.07074	10.8
69.54097	6.0
69.54507	8.8
70.06573	3.4
71.04994	3.4
72.08162	2.3
74.62477	2.0
79.05504	5.7
81.07064	6.2
83.04991	5.6
84.04507	4.2
85.02911	4.5
85.06545	2.4
86.09690	5.1
91.05489	8.0
93.07037	6.1
95.04959	7.0
95.08582	3.9
97.06527	2.9
98.20806	4.0
103.05473	2.2
105.07043	10.8
107.08612	7.8
109.06506	5.3
113.06049	2.6
115.05460	2.0
116.07083	3.7
117.07040	2.3
119.08585	16.9
121.06495	4.4
121.10141	2.4
121.62019	1.9
122.03664	2.6
123.08054	3.9
127.03886	3.4
131.04936	2.7
131.08568	9.6
133.06526	4.1
133.10126	7.5
135.08037	6.2
137.05988	27.9
143.08572	11.7
145.06502	3.4
145.10139	8.6
147.08101	5.7
147.11719	4.5
149.09613	3.3
151.07510	3.2
155.08585	3.9
156.09361	9.6
157.10153	17.1
159.08080	10.1
159.11703	39.0
161.09676	6.3
161.13272	3.5
163.07579	5.0
165.09120	3.8
165.12761	2.6
167.07085	2.6
167.10808	2.4
169.10107	7.9
170.10924	9.4
171.08044	17.8
171.11697	21.5
172.08859	3.0
173.09593	10.7
173.13319	4.6
175.07506	2.6
177.09174	2.1
177.12677	2.3
181.08662	2.1
183.08020	3.1
183.10233	3.9
183.11687	21.4
184.08842	2.8
185.09578	4.8
185.13243	32.5
187.11201	19.5
189.09123	3.2
189.12772	5.2
191.07018	3.6
191.10680	4.4
195.11745	6.8
197.09702	3.6
198.10461	9.8
199.11249	7.9
201.12779	7.1
203.10571	3.1
205.08662	2.3
205.12294	3.5
207.13622	2.4
209.41235	2.2
213.12744	100.0
217.08649	5.7
217.12318	5.0
219.13821	5.7
221.05917	2.5
224.77075	2.7
229.12297	6.2
231.10201	10.6
231.13759	17.2
237.14909	6.2
241.12334	5.2
241.76196	2.2
245.15399	9.8
247.13260	7.1
257.73325	2.2
259.13293	23.6
261.14865	4.5
273.14917	32.6
277.14337	11.8
291.15875	25.1
295.15442	17.2
309.16983	60.0
313.10892	3.4
313.16446	3.3
327.18005	9.7
345.09918	6.1
345.13992	6.4
345.18893	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	345.1156
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
53.03930	0.4
57.84743	0.3
61.02928	0.6
69.03426	0.8
69.21503	3.3
72.08130	0.5
84.08058	0.3
85.02921	2.0
86.09684	0.5
97.02880	0.6
98.97578	1.1
99.49681	0.3
105.03398	0.3
111.05589	0.4
127.03912	0.4
137.05959	0.4
150.54616	0.3
158.99742	0.4
165.06592	0.4
181.04660	0.3
183.06319	0.7
190.04939	1.0
192.04610	0.4
194.45169	0.3
219.01753	0.9
223.01042	0.4
265.72583	0.4
283.11459	0.4
289.06088	0.3
319.06900	0.4
344.60614	0.9
345.11569	100.0
346.11996	0.5
365.58679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1081
Annotation	Griseolutein B
Peak:m/z	Relative Intensity
55.05504	0.7
62.40174	0.3
63.51007	0.3
67.05498	1.4
69.03421	0.9
69.07056	0.9
69.30424	2.9
70.06593	0.8
71.05001	0.5
79.05499	1.1
81.03397	0.7
81.07063	2.2
85.06544	0.4
87.34093	0.3
91.05480	0.9
93.07052	1.1
95.04961	0.4
95.08603	2.7
97.02887	0.3
97.06535	0.5
103.05432	0.5
105.06995	0.8
107.04919	0.5
107.08582	1.0
109.02838	0.5
109.10133	1.5
119.08585	0.8
121.06530	0.3
121.10143	1.0
123.04388	0.8
123.08075	0.4
123.11698	1.0
131.04866	0.5
131.08589	0.6
132.42520	0.3
133.06523	0.7
133.10071	0.3
135.08034	0.5
135.11720	0.4
137.05977	2.4
137.09634	0.7
137.13225	0.3
150.12775	0.4
151.07542	0.7
155.06050	0.5
157.10072	0.8
163.07516	0.4
163.11256	0.4
163.14799	0.5
165.09109	1.2
170.11790	0.4
171.12051	0.6
181.06511	0.4
183.05614	0.4
191.07001	0.5
197.10925	0.4
201.11162	0.5
211.08670	2.6
225.10240	14.9
227.11815	0.3
229.06192	0.6
239.08215	1.1
253.09734	23.0
257.09213	1.1
267.07388	0.4
267.10294	0.3
268.08444	1.0
271.10641	0.9
281.09204	2.6
285.08496	0.5
291.26877	0.6
295.09726	0.6
299.10269	15.1
300.19641	0.6
301.19937	2.3
309.08719	1.0
313.10739	0.5
327.09744	42.9
328.09778	0.4
345.10818	100.0
345.22415	2.1
346.11203	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.097
Annotation	Araneol
Peak:m/z	Relative Intensity
54.58643	0.3
55.05512	0.4
66.18964	0.3
67.05501	1.0
69.07069	0.5
69.39416	2.7
79.05488	0.5
81.07053	1.3
83.04976	0.3
83.08590	0.4
91.05459	0.8
93.07034	0.3
95.08588	0.8
97.06498	0.4
105.07031	0.7
107.04933	0.6
107.08586	0.7
109.06547	0.3
109.10146	0.8
119.08611	0.8
121.10139	0.5
123.04446	1.9
131.04947	0.4
137.05980	1.2
145.10091	0.4
149.05984	0.4
151.07539	1.2
153.01828	2.2
161.02322	0.5
163.03922	1.5
167.07008	1.2
170.02135	0.5
176.04662	0.4
178.02647	0.7
178.06239	5.3
179.03372	0.8
179.08530	0.4
213.05521	0.5
216.04179	2.9
217.05029	0.9
227.03450	0.9
228.04129	0.8
231.03011	0.4
231.06560	2.5
241.05006	1.8
243.02913	0.3
243.06439	0.9
244.03714	2.8
255.02910	13.6
256.03671	0.5
259.06030	3.7
269.04422	3.4
271.06161	0.5
272.03195	1.2
283.02350	3.1
283.05923	0.9
284.03131	1.1
284.06693	0.8
287.05515	11.2
289.10861	0.6
297.03937	2.6
299.05603	1.5
299.08875	0.4
300.02670	6.0
301.07077	0.7
311.05331	0.6
312.06277	1.8
313.07294	1.4
315.04984	60.7
316.05371	0.5
327.19516	0.4
329.06735	1.6
329.83041	0.4
330.07346	19.4
345.09686	100.0
346.10062	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.01859	2.9
55.05497	5.2
57.03420	5.0
63.44211	1.3
67.05508	17.7
69.07067	26.8
71.04996	9.7
71.55659	2.4
73.02916	5.0
75.50919	1.3
76.35062	1.4
79.05501	22.2
81.03419	11.9
81.07064	20.1
83.04964	4.5
83.08611	2.8
85.06548	2.1
85.09951	1.5
87.41601	1.3
91.05486	12.7
93.07059	14.9
95.04970	15.3
95.08607	9.1
97.06535	100.0
98.06879	10.0
99.08081	3.7
103.73425	1.8
105.07034	7.5
107.04951	3.6
107.08598	8.4
109.05791	2.0
109.06518	25.8
109.10135	4.7
110.06842	7.4
111.08071	1.7
111.75175	1.4
113.05978	1.7
115.07581	17.3
117.07023	5.2
119.08568	6.3
121.06470	2.3
121.10128	2.3
123.08052	4.1
129.06943	2.0
129.12854	1.6
131.04897	1.4
131.08519	8.1
133.10117	6.4
135.08069	2.0
135.11662	3.3
136.46753	1.5
137.09587	1.5
143.08563	1.5
145.10112	3.0
147.07976	1.6
147.11711	2.9
149.13283	2.4
151.11218	1.7
155.08427	1.6
157.10144	2.5
159.11699	6.9
171.11774	2.2
173.13182	2.2
177.12701	5.5
185.13142	2.1
195.13826	4.9
201.12848	1.7
223.13263	2.7
254.19679	1.5
255.17450	1.6
263.20212	1.3
272.20914	1.9
273.18536	1.8
291.19501	4.6
326.21948	2.3
344.18088	2.2
344.23029	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	344.222
Annotation	Polysignine
Peak:m/z	Relative Intensity
55.05494	1.1
56.96528	0.8
57.03421	0.5
58.91570	0.5
67.05472	1.7
67.05802	0.6
69.07054	0.9
71.56507	0.7
79.05503	4.1
80.04994	1.1
81.07055	2.6
83.04976	0.6
91.05494	4.1
93.07041	3.2
94.06565	0.8
95.07291	0.8
95.08559	1.8
97.06534	0.5
103.05481	9.1
105.03337	0.9
105.07034	3.6
107.04955	5.2
107.08562	2.3
108.08117	13.2
109.08894	1.1
109.10128	0.7
110.09618	1.5
119.08564	1.3
120.08111	2.6
122.09670	10.2
123.10403	1.8
130.06561	3.8
131.04922	5.2
132.08066	2.0
133.10097	0.7
134.09602	0.9
135.11670	2.1
136.11211	3.5
149.05872	0.6
150.12785	22.8
151.13570	7.4
152.07037	0.5
152.14319	3.3
157.10048	0.5
172.11319	0.8
179.09334	0.6
180.10216	4.7
195.08382	0.5
200.14346	1.4
212.14252	0.6
226.15903	0.6
228.10161	1.9
240.40231	0.5
246.11166	0.5
246.14929	1.6
254.19087	3.3
256.13104	0.8
270.14923	2.6
298.17905	0.8
300.19577	100.0
301.19998	1.4
302.21124	3.8
344.22217	78.5
345.22528	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29181	0.6
53.03946	1.1
54.44143	0.6
54.59914	0.6
55.01863	1.9
55.05505	2.4
56.96571	4.2
57.03437	5.5
60.04517	2.0
61.02932	6.7
67.05503	1.3
69.03081	1.2
69.03432	18.3
69.07063	1.2
69.54367	3.7
70.06576	2.7
71.04969	2.1
72.08134	0.7
73.02922	4.4
73.06548	2.5
79.05501	1.1
81.03422	7.2
81.07061	1.4
83.04959	1.4
84.04457	1.2
84.08145	0.8
84.96030	1.1
85.02910	43.2
86.03256	0.8
87.04462	2.7
91.03949	3.5
91.05479	10.3
95.04965	3.3
96.04523	0.7
96.06921	0.7
97.02895	17.4
97.07627	1.5
98.93238	0.7
98.97597	12.4
99.04453	3.8
100.07613	2.0
101.00879	1.8
103.05501	1.6
109.02876	5.0
109.07555	0.8
110.97587	2.9
111.04452	7.2
111.05179	0.8
111.05540	1.6
115.03941	1.4
116.07166	0.8
116.98650	4.1
116.99338	0.7
119.01956	1.0
119.04948	35.4
121.06508	1.1
122.05937	0.8
123.04429	3.7
125.05987	2.6
127.03920	11.5
128.02399	0.7
128.98613	1.6
131.01926	0.8
134.99687	0.7
136.07584	81.1
138.03476	0.8
143.01874	3.9
144.02124	1.4
145.01672	1.7
145.04959	9.1
146.08084	2.7
147.04303	3.7
148.07520	0.6
151.05975	1.1
153.03966	1.0
155.01898	2.1
155.04639	4.6
157.03462	0.8
158.99649	4.8
159.06523	1.1
161.02960	2.2
163.03958	1.3
164.05119	1.7
164.07121	5.7
164.10631	0.6
165.05475	8.2
166.05046	0.9
168.05446	1.1
170.99573	0.9
171.05025	1.6
173.02948	1.9
173.05539	1.6
174.04478	2.5
177.00642	1.8
178.08653	1.8
182.08133	100.0
183.03572	0.6
183.04967	3.7
184.05048	1.0
185.02945	1.6
185.06573	0.9
189.04320	0.8
191.03949	0.9
196.06786	0.9
201.00713	1.0
201.04431	0.9
201.06126	1.4
203.04002	2.5
204.04224	0.8
218.06271	2.6
218.57884	1.9
219.01801	3.5
220.02446	0.7
221.05118	1.1
224.09167	2.4
225.06253	1.2
227.06744	1.1
237.02876	2.7
245.05130	4.8
246.05321	1.2
247.04736	1.4
254.05710	1.0
254.08150	8.3
254.58296	2.1
263.08817	4.5
263.58795	0.8
268.08835	1.1
268.20193	0.9
273.08197	6.2
274.08466	0.7
289.25803	0.8
291.07523	1.6
299.54794	0.6
300.22897	1.2
303.09305	3.6
307.07144	0.7
308.11252	1.8
309.08508	1.9
321.10349	4.7
322.10239	0.8
326.08051	0.6
326.12369	2.0
344.09619	2.3
344.13284	5.8
344.17654	1.5
344.21844	1.7
345.11511	2.0
351.09628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.0
61.02915	1.3
69.03429	3.2
71.38952	0.9
73.02914	1.0
80.59081	0.5
81.03408	1.9
85.02908	17.8
91.03949	1.0
91.05483	4.8
97.02908	4.0
109.02856	1.0
119.04948	16.4
123.04427	1.9
127.03921	2.4
130.79251	0.5
139.60902	0.5
145.04929	3.9
147.04414	100.0
165.05481	51.9
180.08699	1.9
182.08089	0.9
233.69095	0.6
344.13675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	25.1
57.07067	20.5
58.29515	5.5
67.05509	41.6
69.03418	14.0
69.07076	73.7
69.23418	18.9
69.23847	34.2
71.04991	5.9
71.54542	5.7
79.05482	15.4
81.07063	84.5
83.04979	10.8
83.08643	41.6
85.06544	9.7
91.05502	17.1
93.07075	29.9
95.04964	14.2
95.08614	100.0
97.06511	7.7
97.10168	27.0
98.20804	13.0
105.07060	19.5
107.08600	37.1
108.08125	7.7
109.10161	87.2
111.11723	27.3
117.07020	6.0
119.08593	23.5
121.10163	33.7
122.09705	7.3
123.08059	7.3
123.11715	42.4
125.13294	20.8
131.04955	7.4
131.08528	9.0
133.02855	6.8
133.10153	13.5
135.08066	12.9
135.11688	22.4
137.13268	34.3
139.14830	11.5
145.10144	17.5
147.11699	15.0
149.13287	14.3
150.12787	18.8
151.14830	15.3
157.10194	6.8
159.11705	9.6
161.13292	12.5
163.11209	13.4
163.14851	8.1
165.12799	9.3
165.16408	12.2
169.12213	6.8
169.82530	4.9
179.14320	7.7
183.13818	7.6
187.14818	8.8
189.16386	8.5
197.15408	13.3
207.17497	8.9
215.51637	6.7
225.18723	7.6
234.99905	5.8
247.24289	31.7
271.24203	17.4
289.25281	19.8
300.19577	65.5
307.26367	26.2
315.17368	7.0
328.39780	5.9
343.12994	10.2
343.16248	33.3
343.22906	12.0
344.22266	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	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83522	6.6
55.05500	23.9
56.96561	6.0
57.07068	18.2
67.05486	24.9
69.06784	6.3
69.07072	74.1
79.05482	11.8
81.07063	72.3
81.50000	5.1
83.08622	48.2
91.05482	11.5
93.07036	18.4
95.08624	100.0
97.00696	6.1
97.10172	25.3
105.07040	14.4
107.08579	24.4
108.06444	6.7
109.06479	6.6
109.10168	77.9
111.08101	6.8
111.11741	30.7
111.37135	5.4
119.04976	5.8
119.08569	22.0
121.10143	28.3
123.11717	59.1
125.13271	25.1
126.72985	5.8
131.08591	9.9
133.10130	10.9
135.08144	5.9
135.11707	24.0
137.05956	8.7
137.13254	19.8
145.10149	12.7
147.11687	9.5
149.13277	11.6
151.11240	7.3
151.14799	17.4
159.11667	10.6
161.09566	6.3
161.13156	7.8
163.11206	13.9
163.14824	9.3
165.12823	12.1
165.16348	14.7
169.12273	11.2
173.13359	6.6
179.14330	15.4
191.17987	7.0
197.15401	6.1
225.18617	5.8
231.66342	5.8
235.02008	5.3
247.24226	33.3
249.64981	5.4
271.24197	22.0
289.25107	31.6
300.19559	13.1
307.26321	25.3
343.16345	28.1
343.22787	6.5
344.22449	12.6
363.05939	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	343.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.6
55.05521	20.6
57.07070	6.9
60.90622	3.6
61.24110	4.1
67.05516	33.0
69.03411	5.7
69.07076	35.8
70.32346	4.5
70.32697	13.4
71.04983	4.9
79.05507	29.7
81.03396	13.3
81.07069	100.0
83.04971	8.4
83.08637	19.4
85.06532	5.8
91.05472	20.9
93.07055	45.7
93.10385	3.4
95.04978	40.4
95.08613	86.3
97.02888	4.3
97.06530	13.0
97.10168	15.4
98.97565	3.8
99.04449	4.3
105.07034	38.0
107.08608	46.7
109.02878	4.8
109.06498	7.4
109.09463	5.3
109.10169	72.6
111.08091	5.0
111.11713	8.8
114.24234	3.3
117.07033	7.9
119.08597	31.3
121.10143	35.5
123.11712	27.9
127.03860	4.1
131.08524	9.3
133.10141	21.8
135.08028	9.9
135.11697	28.6
137.05994	9.8
137.13243	10.7
139.11098	5.2
145.10088	15.1
147.11736	17.9
149.13258	18.2
151.14786	5.7
159.11688	9.2
161.13255	16.1
163.11195	15.0
163.14775	12.7
165.10336	3.9
165.12810	4.1
173.13315	10.3
175.14833	6.8
177.16322	4.5
181.12311	6.6
189.16391	10.1
201.16359	5.6
203.17841	5.7
215.17899	11.4
241.53047	3.5
251.10727	4.2
266.56183	3.4
271.24207	12.5
289.09872	3.4
289.25250	36.7
307.26328	25.1
310.53033	4.0
315.17776	3.1
343.11923	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03949	9.9
54.54956	6.1
55.01860	8.4
55.05503	16.3
57.07077	10.2
67.05505	29.4
69.03405	6.7
69.07053	5.6
71.04994	18.3
79.05499	28.4
81.07075	35.5
83.04954	10.9
83.08615	7.7
85.06523	6.3
90.36086	5.9
91.05492	26.8
93.07050	56.7
95.04976	49.6
95.08081	6.0
95.08621	69.9
97.06525	24.3
105.07033	70.7
107.08609	51.7
109.06512	24.8
109.10136	7.6
111.08085	7.0
117.07014	23.1
119.08582	31.6
121.06499	18.7
121.10133	17.0
123.08047	22.0
125.06049	6.1
130.07788	11.3
131.08543	12.4
133.10115	21.3
135.08040	20.6
135.11702	15.9
137.09584	6.2
142.07779	7.9
143.08586	13.8
145.10132	71.1
147.08037	13.6
147.11699	14.9
151.07523	40.3
156.09174	7.1
157.10115	19.0
159.11737	8.3
161.09579	11.8
163.11169	55.6
165.09097	18.1
169.10197	7.2
171.11641	9.4
173.09628	10.1
173.13277	10.1
181.10036	8.2
183.11661	9.1
185.13489	5.6
187.11127	8.7
189.12694	13.0
195.11639	5.7
203.14296	10.9
221.13312	11.0
221.15366	32.5
240.23163	25.6
241.15805	6.1
243.13876	7.2
247.14708	6.2
263.16324	16.1
263.19122	6.1
271.20523	11.7
299.14163	9.8
325.21582	17.7
328.14230	6.9
329.32339	7.0
343.16638	31.3
343.23047	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38868	7.6
55.05511	16.3
56.22935	8.4
67.05506	50.2
69.03421	17.0
69.07074	64.4
70.23904	30.1
70.82450	7.9
75.14743	9.0
79.05487	26.2
81.03385	22.5
81.07063	89.9
83.04988	22.0
83.08601	22.0
84.04514	49.5
85.02879	9.8
91.05479	19.4
93.07051	40.6
95.04967	47.0
95.08609	100.0
97.06557	12.6
97.10150	15.7
101.07141	14.1
105.07028	38.2
107.08614	59.5
109.10158	63.2
111.11777	8.3
113.06025	10.3
117.07017	18.5
119.08568	36.1
121.10159	29.4
123.11676	25.7
129.06636	22.8
130.05049	54.9
133.10135	17.5
135.08081	44.2
135.11696	22.5
137.13274	16.1
145.10152	11.8
147.07689	14.3
147.11714	17.4
149.13264	19.3
161.13220	11.5
163.07515	40.2
163.11179	12.3
163.14894	8.6
175.14844	9.1
177.16515	7.9
178.72183	8.9
249.43291	9.2
250.91125	8.0
278.16937	7.8
289.02341	8.2
289.25253	23.4
307.26352	59.7
308.18561	11.2
359.18060	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	343.2272
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03953	4.4
55.01875	6.0
55.05516	17.9
57.03438	6.9
57.07088	8.6
59.05003	5.4
65.03951	2.9
67.05511	21.0
69.03439	8.0
69.07064	8.5
69.96971	7.2
71.05000	18.3
76.16878	1.8
77.87802	1.7
78.84488	1.6
79.05504	21.4
81.03427	5.3
81.07069	26.0
83.04991	6.8
83.08633	4.1
85.06570	4.1
91.05486	28.3
93.07056	60.5
95.04385	3.0
95.04983	51.5
95.08615	74.2
97.06551	19.0
103.05524	2.1
105.07042	72.8
107.04980	4.4
107.08610	49.0
109.06514	17.8
109.10181	7.7
115.05479	5.0
117.07035	23.8
119.08593	26.5
121.06532	15.9
121.10172	20.3
123.08073	23.0
125.06062	2.5
125.09652	2.7
128.06259	3.1
129.07056	7.2
130.07796	14.3
131.08620	10.2
133.06528	5.5
133.10152	19.0
135.08052	21.0
135.11699	15.1
137.09695	4.2
141.06992	2.9
142.07805	5.0
143.08568	12.2
145.06512	3.3
145.10144	75.5
145.11307	4.0
147.04463	2.5
147.08118	13.7
147.11705	9.3
149.09668	6.2
151.07558	37.8
153.09152	3.1
155.08559	3.1
156.09384	3.0
157.10164	15.4
159.08072	4.2
159.11731	14.8
161.09622	9.8
161.13307	4.3
163.07582	3.7
163.11209	50.7
163.12535	3.2
165.09134	17.1
169.10202	8.8
171.11775	7.0
173.09671	5.4
173.13298	5.5
175.11211	7.3
175.14984	1.9
177.09180	5.6
179.07135	3.0
179.08617	2.5
179.10675	2.0
181.10121	2.8
181.12279	3.8
182.10986	1.7
183.11755	5.6
185.13286	3.7
187.11224	4.4
187.14908	3.1
189.12787	7.0
191.14409	5.3
193.10260	2.5
195.11795	2.9
197.13324	6.1
199.11205	2.8
201.12814	2.7
203.14311	8.8
206.10954	2.2
207.11929	3.9
207.13875	6.5
209.13354	3.3
209.15417	3.3
210.14117	1.9
215.14438	3.6
217.12221	3.1
221.13367	4.8
221.15347	27.0
225.16371	3.9
233.15382	4.5
240.23297	2.6
241.16026	2.4
243.13948	3.1
253.19633	7.0
263.16562	6.4
267.17532	2.2
269.15619	3.7
271.17712	3.4
271.20563	20.5
286.19360	3.9
307.20551	2.9
325.21609	12.9
343.22824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2266
Annotation	Longithorol D
Peak:m/z	Relative Intensity
55.01878	1.2
55.05496	1.2
67.05509	3.1
69.07066	3.0
77.63043	0.7
79.05499	9.2
81.07072	7.3
83.04989	4.9
83.08642	1.1
91.05486	3.3
93.07052	2.8
95.04981	1.6
95.08630	3.4
97.06536	100.0
97.10177	1.1
105.07043	2.7
107.08591	2.6
109.06524	82.8
109.10155	2.8
117.07059	1.0
119.08581	4.5
121.06510	1.6
121.10108	1.4
123.08076	5.9
129.07037	0.9
131.08575	2.2
133.10141	2.5
137.09648	1.1
143.08531	1.0
143.33133	0.7
145.10117	2.5
147.08055	1.0
147.11694	1.6
157.10141	1.2
159.08089	0.9
159.11731	2.7
171.11694	1.8
173.09633	1.0
173.13353	2.1
177.12753	1.1
183.11690	1.6
185.13300	1.3
189.12737	1.3
197.13295	0.9
201.16389	0.7
211.14861	1.7
240.23213	1.3
253.19618	1.2
279.21051	1.7
281.18951	0.8
287.22104	2.3
297.18997	0.9
297.22220	2.3
307.20486	2.6
309.03983	0.7
325.21646	5.9
343.16931	3.7
343.22693	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.22942	1.7
53.03959	5.2
53.25995	1.6
55.01874	4.5
55.05511	17.8
55.05712	1.6
57.03447	8.0
57.07085	5.5
59.05008	6.4
60.48483	1.5
67.05515	22.7
67.06087	1.7
69.03440	11.9
69.07090	8.3
71.05000	16.6
75.82496	1.6
79.05501	27.9
81.03460	3.7
81.07064	28.4
81.07510	2.6
83.05004	6.1
83.08649	3.2
85.06582	5.6
87.04527	1.9
91.05495	34.6
93.07054	67.7
93.07622	3.6
95.04978	50.3
95.05551	3.1
95.08614	73.0
95.98817	1.9
97.06551	18.3
97.49373	1.8
98.21546	3.2
103.05485	3.4
105.07045	72.2
107.04992	4.2
107.08607	46.8
107.09286	2.7
109.06541	16.9
109.10205	5.7
111.08146	2.7
113.09656	2.7
115.05518	6.6
117.07033	27.2
117.07747	2.2
119.08588	31.5
121.06525	18.4
121.10178	13.2
123.08087	28.8
125.06054	2.1
128.06282	4.3
129.07048	7.4
130.07803	11.1
131.08582	11.4
133.06557	5.6
133.10152	18.0
135.08080	23.2
135.11691	12.4
137.09666	5.1
141.07063	2.1
142.07884	4.2
143.08572	10.6
145.06517	3.3
145.10144	78.3
147.08063	11.0
147.11723	7.3
149.09718	5.5
151.07559	44.1
153.09232	4.4
155.08615	2.9
155.10707	2.6
156.09387	3.1
157.10135	13.5
159.08163	3.5
159.11726	9.1
161.09689	7.1
161.13385	5.5
163.11198	54.5
165.07101	3.0
165.09135	14.9
167.08711	2.8
169.10216	5.5
170.11037	2.1
171.08180	2.0
171.11775	8.3
172.08905	2.0
173.09711	5.1
173.13351	2.6
175.02888	2.4
175.11295	8.3
177.09233	5.9
179.07100	2.4
179.08623	2.8
181.10202	3.0
181.12375	3.4
183.11795	5.0
185.13315	4.0
187.11292	6.5
189.12785	9.0
191.14336	3.2
197.13374	4.9
199.11238	2.3
199.14915	2.6
201.12807	3.7
203.14372	9.6
206.10822	1.9
207.10126	2.0
207.11966	2.7
207.13879	4.6
209.13531	2.4
209.15454	6.3
213.12886	3.4
215.14409	4.4
217.12352	3.9
221.15407	27.6
223.14931	4.1
225.16374	4.4
233.15349	3.4
241.15952	3.3
243.13879	3.1
245.15631	2.5
247.17218	3.5
251.14201	2.6
259.17169	2.1
263.16620	5.3
269.15530	2.3
274.19504	2.5
286.19525	4.3
299.20413	1.9
307.20819	2.3
325.21695	11.5
343.22922	100.0
344.23187	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	343.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01875	2.5
55.05511	1.0
57.03431	2.8
57.07074	1.3
61.02924	3.1
67.05505	1.5
67.87527	0.8
69.03431	13.8
69.07071	1.8
69.24416	3.1
69.24844	4.7
70.06585	1.1
71.04996	2.5
73.02923	1.6
79.05508	3.6
81.03424	5.0
81.07056	9.3
83.04990	6.1
84.04541	0.8
85.02909	29.0
86.09711	2.0
87.04462	1.5
91.03953	2.3
91.05489	5.4
93.07041	8.8
95.04975	16.8
95.08625	1.8
97.02898	9.1
97.06552	4.1
98.21467	1.5
99.04466	2.7
103.03930	1.1
103.05476	1.8
105.07046	8.6
107.04976	2.7
107.08598	10.1
109.02885	2.6
109.06519	3.2
111.08102	0.9
115.05457	2.6
117.07042	2.9
119.04916	2.1
119.08580	6.0
121.06556	5.2
121.10154	11.3
122.03674	1.0
123.04460	1.9
125.05999	12.0
127.03929	7.7
130.07817	2.1
131.08565	0.8
133.02866	3.6
133.06487	1.8
133.10109	2.1
135.04419	1.6
135.08078	1.5
135.11723	6.5
137.05997	11.1
139.03903	1.1
143.08647	1.5
145.04965	6.9
145.06491	1.1
145.10143	16.5
147.04446	2.0
147.08087	1.9
148.08861	0.9
149.06007	2.8
149.09625	0.9
150.06755	2.6
151.03964	0.8
151.07512	0.9
153.05371	1.0
159.04425	1.4
160.05244	1.7
161.09634	1.5
163.11191	100.0
165.05461	1.2
165.06848	1.1
165.09094	1.7
165.12756	1.4
167.08740	0.9
173.05991	2.6
175.03951	2.2
175.07619	1.4
175.11179	1.2
177.07011	1.5
181.12238	18.6
183.07898	0.9
183.10249	1.5
186.03052	1.3
186.81303	0.8
187.03926	1.3
190.04971	1.3
194.07321	2.0
201.05431	8.0
205.06528	7.4
205.12201	1.5
211.07541	1.6
219.06544	2.7
221.06015	2.8
222.06763	5.0
223.07387	1.1
223.13364	1.6
233.05998	4.8
234.06689	1.3
237.09149	4.3
239.07094	1.2
247.07471	0.9
249.05510	2.1
250.06291	5.4
251.07002	1.0
261.05487	1.3
264.07950	1.6
265.08615	10.2
265.11179	1.3
266.09369	0.8
267.06473	2.1
278.05716	2.4
279.10175	1.0
282.08853	1.2
283.09732	3.4
283.24921	0.8
292.07391	3.7
293.08072	9.5
294.08481	0.9
295.05911	0.9
297.11334	4.5
307.09610	12.8
310.08426	2.4
325.10718	20.6
325.14365	1.3
343.13770	16.3
343.17731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1176
Annotation	UWM6
Peak:m/z	Relative Intensity
55.01859	2.9
55.05481	2.2
57.03435	2.0
64.53310	1.1
65.03927	1.6
67.05482	2.6
69.03410	2.9
69.07061	4.5
69.27804	8.5
69.28210	2.8
71.36768	1.4
79.05494	5.0
79.63062	1.1
80.05013	1.2
81.03403	3.7
81.07050	8.6
83.05000	2.2
85.02908	2.3
86.09679	2.0
90.02206	1.1
91.05048	1.2
91.05495	12.4
93.07032	5.3
94.04201	2.4
95.04961	4.4
95.08604	3.3
97.02899	1.2
97.06523	2.2
99.08040	1.4
103.05456	4.3
105.07026	3.8
107.04939	3.6
107.08569	4.4
109.02842	1.5
109.06491	2.3
109.10127	2.7
111.04412	3.8
115.05442	8.5
116.01687	3.2
117.07010	3.8
119.04939	6.8
119.08573	2.5
121.06449	3.4
121.10127	4.0
122.03662	5.0
123.04402	2.1
125.05980	3.0
125.09630	1.4
130.04152	1.4
130.97612	1.3
131.04907	3.9
133.02818	4.4
134.03624	2.0
135.04416	3.2
135.11716	1.8
137.05974	54.9
141.03406	1.9
142.03178	4.0
143.04962	6.2
145.06534	5.9
145.10092	2.2
147.04411	2.8
147.11647	1.2
149.06010	5.8
150.06755	2.8
150.62491	1.3
151.03867	5.7
153.05453	2.6
153.06909	2.0
155.04865	1.5
158.03658	7.7
159.04442	6.0
160.05191	5.7
161.05991	3.4
162.02170	2.6
163.11171	4.3
165.07008	3.7
166.07692	1.7
167.08617	1.2
170.02663	2.3
173.06000	9.9
175.03941	3.6
175.07549	8.9
176.06207	3.7
177.05544	2.7
177.06984	10.5
178.07690	2.1
179.08554	1.8
181.04926	7.5
181.06459	3.3
181.12187	1.5
186.03096	11.8
187.03923	2.9
191.07095	1.4
193.06465	1.9
194.07263	16.4
195.08008	3.1
200.04599	1.4
201.05446	39.1
201.07179	2.7
203.06995	2.7
204.05702	3.7
205.06500	39.4
206.07300	3.0
207.08052	2.6
209.06009	1.5
209.09503	2.7
211.07533	3.6
217.06520	1.3
219.06490	4.1
219.08284	2.8
221.05986	12.9
222.06764	27.8
223.07515	4.4
227.07063	3.0
232.05260	1.4
233.05962	36.1
234.06741	9.1
235.07668	1.8
236.04700	1.9
237.09119	29.7
239.07034	7.3
240.07817	1.8
241.08447	1.5
247.07538	6.0
249.05452	13.7
249.09132	1.4
250.06259	30.4
251.07042	9.4
253.05040	1.4
253.08443	1.4
254.05814	1.8
254.09424	2.4
255.06342	1.7
261.05435	5.7
262.06070	2.1
263.07001	1.9
264.07825	9.6
265.08594	61.1
266.09326	5.2
267.06494	7.9
268.07236	2.2
270.08939	1.6
275.07101	2.9
277.04993	4.8
278.05795	15.0
279.06500	4.2
279.10114	5.6
282.08929	6.1
283.09961	2.9
292.07263	23.8
293.08087	51.3
293.11398	2.9
294.08804	2.9
295.05997	5.7
297.11246	18.8
299.12839	2.7
307.09628	72.4
307.22620	1.8
310.08276	9.3
313.14389	2.6
315.12561	1.7
325.10715	100.0
325.23578	2.2
343.07828	2.4
343.11716	20.5
343.15787	1.9
343.17374	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47732	1.4
55.00001	1.3
55.01879	1.6
55.05514	1.7
56.92894	1.3
57.03418	1.9
62.01976	1.2
65.03952	1.3
66.04690	1.4
67.05489	1.9
69.03414	1.7
69.07079	1.7
69.70149	8.3
70.06586	2.2
71.04996	1.8
79.05489	4.8
81.07063	4.0
83.04987	1.9
85.02897	2.7
86.09727	1.3
90.59814	1.3
91.05495	8.6
93.03383	1.8
93.07053	3.6
94.04198	1.4
95.04977	3.1
95.08599	2.4
97.06540	1.5
103.05473	3.7
105.07030	2.5
107.04945	2.6
107.08607	2.4
109.02885	1.5
109.06574	1.5
109.10142	2.1
111.04420	1.8
115.05444	8.9
117.07029	2.1
119.04932	4.0
119.08575	2.2
121.02851	1.6
121.06499	4.8
121.10144	2.9
122.03671	3.6
123.04432	2.0
125.05997	3.1
129.06966	1.2
133.02927	1.6
133.06503	1.4
134.03685	1.4
135.04396	2.6
135.08034	1.4
135.11661	1.5
137.05986	42.4
141.03387	2.0
142.03224	2.4
142.57802	1.2
143.04916	3.1
145.06468	4.5
145.56656	1.3
149.06023	4.7
150.06790	4.2
151.03912	4.0
151.07574	1.6
153.05508	2.4
153.06908	1.4
153.09076	1.8
158.03661	3.5
159.04396	5.8
160.05234	4.6
161.05951	2.3
162.02161	2.1
163.07518	1.6
163.11183	3.9
165.06995	5.1
166.07813	2.1
172.35753	1.3
173.06003	7.9
175.03906	4.3
175.07574	9.2
176.06197	2.9
177.05539	2.4
177.07004	10.7
178.07776	3.0
179.08568	1.9
181.06491	2.8
181.12233	2.7
186.03111	8.7
187.03886	2.8
189.05551	2.7
189.07004	1.8
191.08556	1.5
193.06557	3.3
194.07295	13.0
201.05440	26.5
203.07045	2.1
203.08766	1.6
204.05693	2.1
205.06497	34.0
206.07225	2.6
207.08061	3.6
211.07574	3.0
214.18028	3.6
215.18381	5.8
219.06473	5.2
219.08220	3.1
221.05959	12.1
222.06757	26.0
223.07521	6.3
227.07024	3.1
233.05992	25.8
234.06732	9.8
235.07645	2.1
236.08278	2.3
237.09116	30.7
239.07051	5.7
240.07892	2.9
245.05579	1.6
247.07573	4.8
249.05478	9.9
249.09227	3.1
250.06282	29.9
251.07048	8.8
253.08548	1.5
254.09302	1.6
261.05612	7.3
264.05289	2.0
264.07697	9.6
265.08603	60.9
266.09213	3.7
267.06458	7.0
268.07379	2.2
269.08102	1.5
275.06998	2.1
277.04898	4.9
278.05746	14.7
279.06555	4.8
279.10120	6.2
281.08170	2.4
282.08841	6.1
283.09708	7.0
292.07306	21.9
293.08072	53.8
293.11395	2.7
294.08881	2.6
295.06030	2.9
297.11209	20.7
299.12698	1.9
307.09653	65.3
308.10477	1.3
309.07510	1.8
310.08395	10.0
311.09033	1.5
325.10718	100.0
327.45941	1.4
343.11783	12.1
343.19315	1.3
343.23132	4.5
367.15643	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1178
Annotation	UWM6
Peak:m/z	Relative Intensity
55.01883	3.8
55.05504	8.7
57.03426	3.1
57.07079	2.0
65.03934	2.8
67.05519	15.4
69.03067	1.4
69.03420	4.8
69.07073	12.0
71.04989	3.6
71.55112	1.7
79.05508	11.3
81.03407	4.8
81.07062	28.1
83.04980	5.1
83.08596	2.4
85.02898	7.7
85.06558	3.4
91.05489	15.0
93.07039	15.9
94.04166	2.9
95.04971	8.8
95.08619	22.6
97.02879	3.3
97.06523	3.5
97.10156	1.9
103.05483	5.7
105.03334	1.7
105.07039	9.6
107.04962	4.6
107.08595	12.8
109.02876	3.1
109.06494	2.9
109.10162	14.1
111.04449	3.2
111.11695	2.0
115.05486	13.1
117.06998	3.0
119.04954	4.5
119.08616	9.8
121.06502	7.2
121.10145	9.9
122.03668	3.7
123.04483	2.0
123.11720	7.8
125.06012	3.6
127.03918	3.1
131.04939	4.1
131.08556	3.0
133.02838	4.0
133.06528	2.4
133.10138	4.9
135.04425	5.1
135.08038	4.4
135.11722	10.3
137.05992	49.7
137.09583	2.4
139.11255	1.9
143.04918	6.2
145.04973	3.2
145.06476	6.9
145.10124	5.1
147.04414	3.7
147.11659	5.1
149.05980	5.7
149.13257	3.8
150.06750	7.5
151.03906	5.8
151.07587	2.7
153.12801	2.3
157.10159	3.7
158.03667	4.8
159.04387	5.9
160.05229	4.0
161.06003	2.8
161.13258	2.8
163.07613	3.5
163.11217	12.8
163.14851	2.0
165.06993	3.1
166.07808	2.6
167.08575	2.2
170.75934	1.5
173.06026	10.7
175.03949	4.5
175.07539	9.3
176.06158	3.9
177.05536	3.1
177.06950	12.4
178.07787	2.4
178.63232	1.5
181.06441	4.0
181.08798	1.9
181.12216	6.5
183.08197	1.7
186.03143	12.7
187.03929	4.2
189.05482	2.2
190.07779	1.9
191.07025	3.0
193.06537	4.8
194.07312	13.0
195.08025	2.8
201.05457	32.3
204.05743	4.6
205.06491	44.2
206.07297	2.4
207.08113	3.5
209.09567	2.6
211.07617	5.5
215.17964	2.0
219.06363	2.9
219.08177	2.6
221.05971	12.3
221.09477	1.9
222.06775	27.2
223.07504	5.0
225.09102	2.2
232.05122	2.1
233.06013	34.8
234.06734	8.7
235.07454	3.2
236.08241	1.8
237.09116	29.8
239.07053	5.9
247.07524	6.1
248.08273	1.9
249.05536	11.0
250.06265	32.1
251.06947	9.7
253.08652	1.8
254.05807	1.8
261.05655	7.6
264.07834	11.1
265.08609	69.3
266.09369	4.0
267.06589	8.4
268.07132	1.8
277.04901	4.5
278.05762	13.9
279.06500	4.3
279.10092	6.7
281.08130	2.0
282.08868	6.9
283.09723	7.8
292.07355	22.7
293.08109	62.9
294.08685	3.3
295.06030	3.9
297.08090	2.8
297.11246	20.6
307.09668	71.6
307.26318	2.7
310.08261	11.8
311.09042	3.8
325.10715	100.0
343.11880	17.2
343.16113	4.4
343.19485	3.3
343.22888	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	343.021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46109	0.7
56.96537	1.6
58.91700	0.8
66.95953	0.7
69.41821	2.7
69.42246	3.6
92.97593	0.9
98.97585	20.7
99.97874	1.4
116.98631	7.9
117.98891	1.3
120.73273	0.7
121.00430	0.7
134.99655	1.5
159.83611	0.8
174.97641	1.9
176.97412	1.1
177.00897	3.1
192.98743	1.7
198.97807	1.7
199.20441	0.8
201.00949	1.0
216.95474	1.3
216.98810	8.9
218.98581	4.3
219.01988	6.8
220.02130	1.4
222.97951	2.2
234.96387	2.2
234.99887	10.1
235.99843	1.2
236.99492	3.7
240.98911	14.3
243.01978	1.2
253.01122	0.8
258.96652	3.3
258.99951	34.6
259.99921	6.9
260.99814	1.7
261.03024	5.4
264.98825	4.3
273.98700	1.4
276.97598	3.5
277.01019	14.9
278.00903	5.0
278.96799	1.8
279.00485	0.9
282.99979	100.0
284.00052	3.4
284.99701	1.0
300.97653	10.2
301.01013	91.2
302.01212	3.2
303.01389	1.0
318.98602	12.4
319.02045	2.7
324.02658	1.7
325.01050	18.4
342.98840	3.9
343.02124	72.9
344.02261	1.4
360.99048	6.0
361.03604	10.6
366.03613	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	1.7
61.00959	1.9
61.02919	3.8
62.34292	1.9
69.03413	5.7
70.27615	5.9
73.02910	2.0
74.96378	1.8
85.02905	15.5
97.02882	5.3
98.97578	6.8
99.04424	2.7
110.97548	2.8
127.03928	4.0
145.04956	3.6
180.20660	2.0
219.01756	4.0
253.06554	4.4
262.07095	2.9
343.01761	4.0
343.07919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78590	4.6
53.03944	9.7
55.01871	6.3
55.05516	39.7
55.68599	4.7
57.03444	26.0
57.07075	5.8
57.33203	5.7
67.05510	96.0
69.03446	13.8
69.07078	44.8
71.04989	17.6
71.55155	6.4
79.05506	61.7
81.03448	5.6
81.07069	100.0
83.04981	18.5
83.08627	22.0
85.02890	7.8
85.06564	10.5
91.05489	54.0
93.07063	78.6
93.77493	6.0
95.04965	17.7
95.08615	62.5
96.08930	9.7
97.02887	6.7
97.06554	11.7
97.10190	30.5
105.07043	57.5
106.07411	5.8
107.08608	81.4
109.06526	15.9
109.10163	37.3
111.08070	17.0
117.07016	21.1
119.08601	42.7
121.10155	51.9
123.08064	7.7
125.09648	22.1
129.06999	5.7
129.20799	5.9
131.08588	27.2
133.10136	42.3
135.08081	13.1
135.11716	33.5
137.09613	14.9
139.11172	8.3
143.08571	12.0
145.10155	24.8
147.11726	22.1
149.09608	18.2
149.13255	16.5
151.11180	5.7
153.09039	7.7
157.10172	7.3
159.11703	22.4
161.13304	9.5
163.11206	14.2
166.09221	5.5
169.10121	7.7
171.11623	13.0
173.11812	6.5
173.13261	13.1
173.24411	6.3
175.14856	6.2
175.28407	5.5
177.12762	7.3
181.12234	22.5
187.14787	5.8
191.17979	11.0
192.18323	11.6
195.13823	18.0
205.36610	5.9
209.32092	5.6
213.14922	11.5
223.16974	6.3
235.16917	8.7
239.17818	10.6
254.30730	5.3
257.18997	12.7
268.07266	6.2
275.20160	48.1
289.21750	6.8
302.44083	6.0
342.15811	8.9
342.28793	19.6
342.33661	6.7
342.37491	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	342.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97909	0.5
55.05513	6.8
56.96564	0.8
59.04993	0.9
60.70475	0.5
62.06087	1.9
67.05495	1.2
69.07059	0.6
69.10911	0.5
70.06590	1.1
71.08637	7.2
71.55952	0.7
72.08149	1.5
79.05489	1.5
81.07058	1.6
82.06573	0.6
83.04984	6.0
85.06577	0.5
86.05585	1.0
86.06073	14.2
86.62917	0.5
91.05486	2.3
93.07034	1.7
95.04971	1.0
95.08608	1.7
96.08129	5.3
98.09702	8.9
99.08066	2.8
100.07599	1.1
101.06032	3.9
105.51858	0.4
106.34824	0.6
107.08619	1.0
108.08108	1.3
109.06522	0.5
111.04436	6.2
111.08037	0.6
114.09194	0.5
116.10739	24.0
117.07039	0.5
119.08582	4.3
119.56967	0.5
121.08870	0.9
121.10159	0.7
122.09676	0.7
123.11665	0.7
124.07602	1.3
129.05490	1.0
134.09641	1.3
135.10385	0.6
137.09622	1.7
142.08646	11.5
142.12270	3.5
143.10684	7.6
147.08081	0.6
148.11284	0.6
149.09587	0.5
152.14384	0.7
154.08614	0.6
155.07037	2.0
160.13326	0.8
162.12819	0.6
164.10701	5.5
165.09233	0.7
167.77071	0.6
173.08101	1.8
180.13855	0.7
182.15453	4.3
184.13348	1.2
190.12267	4.6
193.47250	0.5
196.16978	1.1
198.14932	1.6
208.13353	7.6
214.18033	9.7
226.14384	31.8
244.15457	100.0
245.15761	0.7
324.21637	3.5
342.15591	0.5
342.22812	11.9
343.16898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
55.05513	7.3
57.03437	1.1
59.04977	1.0
59.91102	0.9
65.43202	0.9
67.05498	2.1
69.07045	1.4
71.07330	1.0
71.08642	4.8
72.08171	1.4
77.20875	0.9
79.05476	1.2
80.69668	0.7
81.07071	3.9
83.04984	5.9
83.08614	2.3
86.06078	13.5
89.39587	1.0
91.05462	1.8
93.07024	2.5
94.73734	0.9
95.04980	0.9
95.08589	1.5
96.08131	5.2
97.06535	0.9
98.06065	1.1
98.09699	10.4
99.08076	1.4
101.06013	3.9
105.07013	1.8
107.08625	2.3
110.65081	0.8
111.04433	6.2
116.10738	22.8
117.06966	1.0
119.08617	1.9
119.95451	0.9
121.10124	1.4
122.09662	1.0
123.08035	0.9
124.07597	1.0
129.05457	1.1
131.04910	1.7
132.42636	0.8
135.11684	1.7
137.09613	1.2
142.08647	12.1
143.10699	5.7
146.09557	0.9
153.12799	0.9
155.07007	2.0
157.64738	0.9
163.11223	3.6
164.10716	5.4
173.08083	2.3
173.09497	0.8
180.13881	1.2
182.15411	4.8
187.82022	0.8
190.12311	3.6
191.10632	1.8
196.16913	1.3
198.14850	2.4
208.13367	8.1
209.11760	4.8
214.18034	22.7
226.14391	33.4
227.12704	5.4
244.15463	100.0
289.17944	1.8
307.19031	2.7
324.21606	1.1
336.57977	0.8
342.22806	7.4
343.16748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03072	0.8
53.03937	1.2
53.55397	0.8
54.72897	0.9
55.05517	6.6
57.03433	3.1
57.07077	11.4
57.15792	0.9
61.02921	2.0
62.12600	0.7
66.27503	0.9
67.05508	1.4
69.03426	4.3
69.07074	1.8
70.06599	12.2
71.03033	1.7
71.05000	1.4
74.11763	0.9
77.99995	1.1
79.05493	5.7
81.03416	2.5
81.07060	6.2
83.08607	4.4
85.02908	14.2
86.09686	1.9
88.72370	1.1
88.93930	0.9
89.06040	32.1
91.05496	2.1
93.07049	4.9
95.08591	2.8
97.02891	4.0
97.06524	2.5
99.04502	1.6
101.09665	13.8
105.07077	2.3
107.07076	33.3
107.08586	4.4
109.02860	1.1
109.10181	1.0
111.08118	5.4
114.05514	1.2
116.07110	2.6
117.07029	0.9
119.08588	2.8
121.10129	3.0
123.07999	1.0
123.11724	3.1
125.09628	1.9
127.03915	2.9
128.07095	1.8
131.08594	1.5
133.10176	2.1
145.04955	2.1
149.13249	2.8
151.11169	1.5
163.13304	100.0
165.12770	3.0
167.83046	1.0
177.12778	1.6
179.14262	1.9
183.13702	1.4
191.08890	0.8
211.14458	2.2
289.26047	1.0
310.20093	15.9
324.21701	10.8
342.23074	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	342.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
54.15910	0.2
57.03428	0.8
61.02918	0.7
62.32567	0.2
69.03434	5.1
69.07085	0.5
70.07412	0.3
71.04974	0.8
73.02937	0.3
77.03913	0.4
79.05498	5.3
79.56777	0.3
81.03421	7.3
81.07048	0.9
82.06587	1.5
82.07381	0.3
85.02905	5.3
91.05466	0.3
93.07039	0.4
95.04977	0.4
95.08644	0.6
97.02896	3.8
99.04485	1.6
99.06368	0.2
100.07624	0.5
105.07019	0.4
106.06568	1.5
106.07166	0.3
107.08617	0.7
109.02891	3.2
109.10155	0.3
123.11725	0.3
127.03915	1.4
128.07121	0.5
133.10095	0.4
134.06049	1.5
137.05991	0.8
138.06352	0.5
145.04996	0.8
152.41467	0.2
162.05498	9.9
180.06566	100.0
181.06938	0.5
198.07632	5.5
215.47197	0.3
223.18735	0.3
306.09717	0.8
306.25070	0.8
324.10736	7.6
324.26035	0.6
342.11600	1.9
342.19058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
55.05518	53.7
57.03449	10.4
57.07081	100.0
67.05513	42.2
69.07073	98.1
70.04612	19.2
71.04982	4.9
71.08284	6.5
71.08637	79.3
73.04770	6.9
79.05498	15.7
79.11381	3.6
79.97903	3.4
81.07065	90.2
83.08625	71.3
84.20934	3.3
85.06551	19.1
85.10186	40.2
91.05427	8.0
93.07043	23.3
95.08615	96.5
97.06544	11.7
97.10182	58.7
99.11718	4.1
104.84457	3.6
105.07034	20.3
107.08606	31.7
109.06548	6.0
109.10159	49.1
111.08073	6.8
111.11729	38.1
115.07610	6.7
116.01831	3.4
119.08595	21.9
119.97206	3.8
121.10153	22.6
122.91245	3.8
123.07992	8.9
123.11748	21.4
125.09625	7.4
125.13280	16.4
127.07573	13.5
129.09148	6.6
133.10129	21.9
135.11726	15.7
137.06017	22.4
137.09605	7.1
137.13284	7.1
145.10085	5.9
147.11674	20.1
149.13321	7.3
151.11198	13.9
151.14795	6.1
153.12810	6.1
155.10756	6.1
161.05899	4.4
161.13222	22.7
163.14833	7.6
164.82655	3.9
165.12790	15.1
169.12383	5.6
175.07611	5.1
175.14835	13.2
177.16383	4.9
179.14365	14.6
189.16362	8.5
191.17934	3.9
192.40556	3.9
193.15962	6.7
197.15477	5.9
206.09042	4.0
207.17386	7.2
207.20947	4.9
217.19463	4.4
231.21101	7.1
249.22197	8.3
263.27399	9.7
287.27347	21.7
299.21869	4.2
305.28458	10.9
323.23441	4.1
341.26666	12.3
341.30527	91.1
341.39633	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	341.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
53.36212	4.9
55.05513	55.1
55.82402	4.6
57.06832	4.7
57.07077	55.7
59.04999	5.2
59.86567	5.0
67.05507	24.0
69.06727	8.0
69.07069	100.0
69.43420	39.3
71.04965	9.2
71.08629	55.5
72.06828	4.7
79.05472	13.8
81.07063	52.2
83.08625	73.0
85.06535	11.1
85.10164	29.4
91.05441	10.2
93.07028	12.7
94.09817	4.4
95.08612	51.2
97.06506	16.2
97.10167	58.0
98.20740	9.2
105.07005	18.4
107.08582	20.1
109.06484	7.7
109.10137	31.7
111.08086	8.1
111.11729	29.5
119.00894	4.3
119.08556	19.7
121.06551	4.7
121.10126	17.5
123.08036	8.2
123.11690	17.6
125.09646	4.9
125.13262	13.3
126.37290	5.4
127.07624	6.6
133.10104	15.3
135.11661	17.0
137.09616	9.2
137.13214	5.7
139.14784	5.7
141.09073	6.7
147.11676	16.9
149.13261	9.2
151.11194	10.7
155.10655	4.6
161.13245	15.8
163.14964	4.7
165.12767	12.0
167.14278	6.7
169.12297	6.2
175.14789	9.8
179.14244	14.8
183.13826	7.3
184.19547	5.6
193.15907	9.4
197.15355	5.0
203.18086	5.5
221.19003	4.7
222.06841	5.0
237.35439	6.4
263.27283	9.9
287.27267	17.9
305.28238	17.2
320.74960	5.0
341.26694	21.7
341.30347	20.0
342.37207	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	341.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64051	4.6
55.05513	36.4
57.07080	7.7
57.55448	4.9
63.16463	4.8
67.05505	41.7
67.37225	5.0
69.03429	8.7
69.07072	47.7
70.60018	15.0
79.05494	24.3
81.03444	10.2
81.07070	95.1
83.04958	14.1
83.08620	19.5
91.05479	14.5
93.07050	46.7
95.08616	100.0
97.06530	6.5
97.10184	11.4
105.07053	33.1
107.08607	63.4
109.06507	7.7
109.10165	85.9
111.11713	7.3
119.08579	22.6
121.06462	9.8
121.10155	52.7
123.08095	8.2
123.11712	41.4
125.09619	7.2
130.05270	4.6
131.08559	9.1
133.06505	11.0
133.10143	13.7
135.08006	7.7
135.11688	34.7
137.06009	35.9
137.13257	21.2
143.08614	7.7
145.10123	10.6
147.08066	5.6
147.11699	15.4
149.13293	25.3
151.07588	14.8
157.10129	9.1
159.08070	6.4
159.11794	8.6
161.09648	9.7
161.13248	12.2
163.07564	10.0
163.14757	25.8
165.09184	6.4
167.10677	4.8
167.64551	4.5
171.11710	9.2
175.14803	7.0
177.09152	12.1
177.12801	5.9
177.16379	25.9
181.12263	7.7
184.19736	5.0
187.07538	7.3
203.14609	4.9
203.17932	6.8
211.08260	5.4
214.18005	12.2
249.18852	6.0
259.24240	25.7
269.22598	11.9
271.06754	5.0
277.25433	9.8
287.23669	17.7
305.24689	26.5
309.11133	7.0
309.14740	8.7
323.25922	9.5
341.14017	10.3
341.17447	7.2
341.20981	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	341.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51247	0.9
53.03947	1.1
55.01864	2.3
55.05507	2.1
57.03427	1.3
67.05502	3.3
68.76544	0.8
69.03412	3.8
69.07054	4.0
69.76539	0.8
70.06591	2.8
70.77470	0.8
70.77809	1.7
71.04992	0.9
71.08610	0.9
71.33580	0.8
72.08121	1.0
73.02915	1.0
75.78745	0.8
76.02190	0.7
79.05492	4.6
81.03437	1.9
81.07069	7.1
83.04961	3.0
83.08584	1.1
84.04505	1.9
84.08151	1.4
85.02907	4.9
85.06539	3.0
86.09710	2.9
87.04469	1.2
87.50172	0.8
90.52307	0.8
91.05465	8.1
93.07056	6.4
95.04974	3.6
95.08618	4.3
97.02863	1.8
97.06523	3.6
99.04446	1.4
103.05472	2.3
105.01886	1.7
105.07040	8.9
106.02222	1.3
107.04938	1.5
107.08613	4.6
107.99392	1.5
109.02880	1.0
109.06516	3.4
109.10139	1.8
110.07210	1.1
111.04423	1.2
111.08062	1.6
113.03419	0.9
113.04230	1.8
113.05984	1.5
115.05435	1.4
117.07026	1.8
119.04922	1.2
119.08597	9.5
121.06523	4.0
121.10117	3.5
122.03631	1.0
122.06014	1.6
123.04414	1.1
123.08043	3.8
124.07588	1.5
125.06068	1.9
127.03928	2.2
128.06216	1.1
129.06992	3.8
130.04980	1.5
131.04904	3.8
131.08562	6.8
133.02841	1.1
133.06493	2.9
133.10146	12.6
135.04422	1.2
135.08060	16.7
136.07544	1.3
137.05969	12.7
137.09618	3.2
138.09103	1.1
139.07568	1.1
141.07030	1.4
142.07791	2.9
143.08578	4.4
144.09375	1.5
145.10123	8.8
147.04390	1.8
147.08018	2.9
147.11633	2.4
149.05933	1.0
149.09621	3.7
151.03938	1.1
151.07500	1.9
152.07109	0.8
153.09087	3.9
155.08545	1.0
156.09341	1.2
157.10147	7.0
158.10910	1.1
159.08112	1.0
159.11707	5.1
161.05991	3.2
161.09612	5.3
161.13206	1.1
163.07523	3.5
163.11205	0.9
165.09122	2.9
166.08572	1.0
167.07069	0.9
167.08804	0.9
167.10619	1.7
169.10104	2.5
170.10919	2.3
171.11679	3.7
173.09599	1.4
173.13251	4.5
175.07545	2.5
175.11171	2.1
175.14835	1.2
177.05475	1.0
179.03500	1.6
179.05469	0.8
179.07051	2.7
179.08440	1.0
179.10678	2.8
181.10155	1.4
182.10927	1.5
183.08493	1.5
183.11821	1.1
184.12442	1.2
185.13278	3.2
187.07501	2.4
187.11183	2.0
187.14842	1.5
189.12671	1.0
191.07057	2.6
191.08662	1.0
191.10545	0.9
192.01173	1.3
192.06425	0.8
195.10164	11.9
197.13208	1.2
199.07515	0.9
199.14848	1.3
201.12689	1.2
203.05272	1.4
203.14323	1.6
211.02057	1.7
215.14325	3.9
217.08453	2.0
219.07986	1.7
219.13811	1.1
220.00803	1.1
227.14322	1.9
231.08014	1.2
233.15347	1.6
237.09399	0.8
245.15350	2.0
248.08455	1.3
251.10890	2.2
263.16483	6.1
269.12341	1.0
279.10245	1.7
281.17490	100.0
282.17645	0.9
291.10123	2.1
299.18457	1.1
311.12820	2.2
323.12982	4.0
323.18442	2.6
341.11945	17.9
341.20047	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	341.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
55.05502	2.0
56.96537	0.6
57.07081	0.9
65.03909	0.9
66.04687	0.7
67.05502	2.8
69.03425	2.0
69.07057	2.3
71.04979	0.7
79.05488	3.5
81.03418	2.7
81.07057	7.7
83.08617	1.2
85.06546	1.1
91.05485	5.1
93.07044	2.6
94.04180	2.7
95.04972	1.4
95.08595	4.8
97.06543	1.1
98.21552	1.2
98.97584	1.0
103.05460	1.9
105.07037	8.0
107.04954	2.2
107.08604	3.0
109.02877	2.3
109.06539	2.4
109.10156	4.1
115.05472	3.6
117.07023	1.6
119.04989	1.4
119.08566	3.4
121.06529	1.1
121.10151	1.9
122.03663	8.5
123.04417	1.5
123.11713	2.1
125.05997	0.8
127.03906	1.4
128.06221	2.0
129.07016	3.2
131.04929	1.4
131.08536	1.2
132.05713	2.1
133.06519	5.8
133.10130	2.4
135.11646	1.0
137.05984	100.0
141.06947	1.0
143.04987	0.8
143.08588	1.0
144.05692	1.2
145.06502	1.7
145.10173	1.1
146.03598	0.7
147.04440	2.2
147.08032	4.6
149.05995	2.6
149.13239	1.2
151.07536	2.8
151.11194	3.6
155.04942	1.6
155.82127	0.7
156.05614	0.7
157.06517	0.8
159.08061	3.0
160.05258	1.9
161.05995	12.7
161.09700	1.0
163.14816	0.9
165.07091	0.9
167.07068	1.9
169.12280	1.4
171.08047	1.6
172.05322	0.8
175.07564	28.3
176.14305	2.0
177.09029	1.4
177.14670	2.6
177.72949	0.7
179.10556	1.1
184.05281	1.0
187.07562	10.9
189.07126	0.9
189.09088	1.0
190.07799	3.7
191.08548	9.0
199.07532	7.4
202.07816	3.7
203.08569	6.3
207.08047	1.0
215.12724	1.0
217.08607	0.8
218.07326	2.9
219.08063	13.3
220.08852	2.4
221.09676	1.2
230.07231	1.0
231.08058	6.1
232.08830	1.5
233.06134	0.9
233.09622	1.3
235.07588	1.3
236.08316	2.3
237.09137	1.4
247.07623	4.7
248.08397	3.5
249.09001	1.5
251.10669	13.6
259.07599	3.5
260.08292	1.6
261.09195	1.4
263.07385	0.7
263.10754	2.6
264.07758	1.6
265.08548	0.9
276.07816	1.5
277.08646	2.3
279.10178	13.0
280.10895	0.9
281.08282	1.1
283.13174	0.7
291.10089	7.6
291.12646	0.8
292.10883	3.3
295.09875	0.8
295.13400	1.7
296.10413	1.1
305.24680	1.5
309.11285	1.7
311.09262	0.9
311.12805	16.4
311.16223	1.2
323.12674	3.8
323.25641	1.8
341.10257	1.1
341.13904	4.0
341.19543	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	341.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69362	0.3
52.80689	0.4
53.03952	1.7
55.01878	2.2
57.03445	2.9
61.02892	0.7
66.22224	0.3
69.03432	13.6
70.06565	0.7
70.93558	0.8
71.01321	1.1
71.01707	0.4
71.04997	5.2
73.02891	1.0
75.04469	0.4
81.03419	17.2
85.02882	0.6
87.04456	0.6
91.05468	0.4
99.04463	5.7
105.07035	0.4
106.06525	0.5
107.04932	0.5
108.08084	0.4
117.05457	1.2
131.04897	0.6
133.06758	0.5
133.07632	5.4
134.05986	1.6
135.09160	0.5
136.07529	0.5
137.05974	1.7
160.07684	0.5
161.07124	9.7
162.05507	0.4
162.09099	0.4
163.07419	0.5
163.08665	6.1
178.07372	0.7
179.03424	3.6
179.08167	1.2
189.06612	8.1
191.08174	6.3
201.06746	0.6
207.07658	100.0
208.08025	0.6
217.08734	0.4
220.26906	0.4
221.09187	0.6
229.09715	0.4
231.11157	0.4
247.10551	0.4
249.08743	1.5
305.11359	1.2
323.12381	36.1
324.12616	0.6
341.13461	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	341.0867
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.52115	0.2
57.03439	0.4
61.02915	0.3
62.83731	0.2
69.03423	1.0
70.04324	1.1
81.03413	0.6
85.02922	2.6
89.03924	0.4
97.02890	1.0
98.21188	0.6
105.03386	0.4
108.08147	0.2
109.02824	0.5
117.03403	0.4
123.04428	8.3
127.03949	0.6
133.02863	7.1
135.04395	1.7
137.05936	0.5
145.04919	0.4
151.03896	3.4
157.06062	0.3
161.02403	0.3
167.12657	0.4
179.03400	100.0
207.07811	0.3
209.08284	0.2
246.19357	0.3
271.39258	0.2
288.19568	0.2
297.15442	1.3
305.51028	0.2
341.08704	1.9
341.12390	0.4
341.17783	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	340.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11871	0.6
55.01866	1.7
55.05508	5.7
56.05843	1.0
57.03424	1.2
57.07071	1.6
63.71544	0.6
65.03939	1.2
67.05505	18.8
68.05829	1.1
69.03412	1.4
69.07072	5.4
71.04996	0.7
79.05491	6.5
81.07061	18.0
82.07375	2.8
83.04985	6.6
83.08615	2.8
88.31511	0.6
91.05480	11.6
92.05820	1.2
93.07048	10.5
94.07370	1.3
95.04952	1.8
95.08600	9.4
96.08945	2.9
97.06536	1.9
97.10171	1.2
98.10453	0.7
98.21548	1.2
99.08103	1.3
103.43183	0.7
103.48450	0.6
105.07031	14.4
106.07368	2.4
107.07874	0.9
107.08591	16.5
108.08918	2.9
109.06514	2.0
109.10155	20.1
110.10469	2.3
111.04449	0.6
117.07029	1.6
119.08582	6.3
120.08855	3.1
121.06533	0.9
121.10149	6.1
122.10495	2.3
123.08035	4.8
123.11700	8.2
124.08402	2.9
124.12029	2.6
125.09608	0.8
129.07030	0.8
131.08554	4.8
132.08891	2.2
133.09099	1.4
133.10130	30.2
134.10449	4.7
135.08031	1.1
135.11681	2.5
136.12010	1.8
137.09590	1.5
137.13245	0.9
138.09930	1.3
139.11208	1.0
143.08615	1.7
144.08829	1.3
145.10132	5.3
146.10435	5.0
147.11700	4.5
148.11983	2.7
149.09631	1.4
149.13266	2.0
150.13583	1.0
151.11180	27.4
152.11559	0.8
155.08536	1.2
157.10083	2.3
158.10477	2.7
159.11682	4.5
160.12019	3.7
161.09566	1.1
161.13274	2.0
161.42451	0.6
162.13564	1.6
163.11232	1.0
165.12798	0.9
166.13066	0.9
169.10138	1.2
170.10478	1.5
171.11627	2.8
172.12114	2.4
173.13190	2.2
174.13643	3.1
175.11127	0.9
175.14754	1.7
176.15147	1.4
177.09116	1.8
178.13094	1.0
179.10652	3.2
183.11670	1.5
183.12010	1.1
183.13809	10.4
184.12155	0.9
185.13200	1.2
186.13585	2.4
187.14796	5.6
188.15166	5.5
189.16220	1.7
190.16725	1.6
195.11551	1.1
197.13184	1.1
198.13667	1.6
199.14793	2.5
200.15161	2.5
201.12683	1.0
201.16418	5.1
201.92598	0.7
202.16737	7.8
203.17412	0.8
204.18250	0.7
205.70961	0.7
210.13493	1.2
212.15152	1.0
213.16269	1.3
214.16698	2.3
216.18301	2.5
218.16374	0.7
224.15271	0.9
226.16759	1.1
227.17871	1.1
228.18251	2.0
230.16177	1.4
242.19713	1.1
254.19804	6.2
255.17488	1.1
256.17728	3.1
258.19257	1.1
266.19949	0.7
269.19101	0.8
270.19409	3.3
273.18454	2.3
283.59940	0.8
284.20905	2.4
291.19516	2.6
298.22440	1.6
305.21210	1.9
322.25992	4.3
340.27164	100.0
341.27722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65876	1.0
55.01869	2.0
55.05508	13.6
57.03425	3.6
60.54987	1.1
67.05497	4.7
69.03420	1.8
69.07062	7.8
69.53533	7.5
70.02958	1.5
70.06585	9.8
71.05008	1.5
79.05495	2.9
81.07046	5.3
82.06124	1.8
82.06581	23.4
83.04981	8.3
83.08611	2.2
84.08159	1.7
85.02903	2.1
85.06535	7.6
86.06065	10.6
86.09711	1.8
91.05471	5.4
93.07036	4.5
95.04942	3.2
95.08627	2.6
96.08131	6.4
97.02830	1.2
97.06506	2.1
98.09677	10.4
98.20763	1.8
99.04460	6.9
99.08114	1.4
100.07628	1.2
100.11232	3.2
101.06028	3.2
105.07034	2.2
107.08617	1.9
108.08121	2.8
109.06503	1.2
109.10179	1.8
110.06049	19.0
110.09645	1.1
111.04443	7.5
114.05515	2.1
116.07103	8.1
116.10724	4.6
117.07012	1.3
119.08584	28.4
120.08128	1.3
121.10162	3.3
123.11665	1.3
124.07594	4.1
126.09155	12.3
127.07533	5.3
128.07047	2.0
129.05450	1.5
134.09673	1.5
136.07516	2.0
136.11237	1.4
137.05942	1.7
138.09163	1.3
142.08635	12.0
142.12332	1.5
146.03171	1.8
147.11687	3.6
150.12779	18.3
151.11195	2.3
152.07030	2.1
154.08632	100.0
155.07123	2.0
157.39590	1.3
166.08600	2.0
169.12244	10.6
172.09688	93.1
173.08154	5.5
175.11185	4.4
176.51192	1.2
177.05478	1.8
178.05804	2.3
180.10236	6.2
182.15443	1.8
192.32027	1.3
194.15396	2.9
195.12558	16.9
196.13394	2.6
210.15027	1.9
212.16455	53.6
219.16402	1.2
264.16052	1.4
279.15875	3.2
290.17456	2.6
308.18579	6.0
322.20114	24.3
340.09531	1.7
340.13470	2.3
340.21219	72.1
341.10370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.9
55.05262	0.7
55.05512	9.5
55.85971	0.4
57.03442	0.5
57.07074	0.6
59.04998	2.0
67.05508	0.5
69.03432	5.1
69.07066	2.1
70.74647	0.6
70.74998	0.7
71.58357	0.5
81.03438	0.7
81.07073	2.8
82.06586	0.9
83.04956	1.1
83.08623	51.2
85.02900	3.5
91.05476	0.9
97.02878	1.2
97.10176	19.3
99.08109	3.1
101.06041	2.0
101.09658	1.3
107.08593	1.5
112.05094	0.5
119.08522	1.0
125.09644	3.9
127.03894	1.0
133.01216	0.4
143.10678	100.0
145.04922	0.6
154.08626	4.3
161.11742	21.9
166.08664	0.5
167.76556	0.4
169.12291	0.7
172.09723	3.6
175.51981	0.4
212.16441	2.1
280.90207	0.5
322.12881	0.6
322.20425	0.5
340.21240	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	340.1754
Annotation	Aucherine
Peak:m/z	Relative Intensity
53.11666	0.6
53.86692	0.5
54.33936	0.5
55.01868	0.6
57.03441	4.5
59.04991	0.8
67.05495	2.2
68.05829	0.6
69.03419	1.6
70.06606	1.1
71.01360	0.7
71.04997	2.9
71.55177	0.9
72.05330	1.3
72.19989	0.5
79.05486	1.0
80.05022	1.7
81.03407	1.5
81.07046	1.6
82.07364	0.9
84.04502	3.0
84.08144	1.0
85.02907	19.5
85.06538	0.9
91.05491	1.6
93.07051	4.3
94.06573	0.8
95.04976	1.1
95.08599	1.3
97.02893	1.1
97.06543	1.3
100.07642	0.7
103.03954	0.8
105.01896	0.6
107.08650	0.8
108.08122	23.1
109.08907	2.1
109.10216	0.6
110.06055	0.9
110.09686	3.6
112.07631	0.7
114.05527	0.7
116.07116	1.2
119.08585	7.0
120.08125	1.3
122.06058	3.8
123.04465	0.6
123.06412	1.0
123.11685	0.6
125.09650	0.6
127.03909	0.7
130.05000	1.5
131.03398	1.8
131.08546	0.7
134.09665	2.3
136.04797	0.7
136.07585	2.4
137.08388	8.1
137.09529	0.9
138.05510	0.7
138.09134	1.8
139.09517	1.2
140.07071	1.1
141.12772	1.4
142.13100	1.3
143.10721	1.4
147.04436	0.8
148.04785	1.3
148.06020	0.6
148.11247	1.4
150.09143	0.8
151.05833	0.9
160.14122	1.2
163.03917	0.9
164.04271	1.9
164.07089	1.6
165.07401	1.0
165.11488	1.1
166.05019	1.0
166.08635	3.0
166.12286	32.4
167.05374	0.8
167.10693	0.6
168.06609	0.9
175.11206	1.2
177.14932	0.6
178.05013	6.6
178.15276	0.7
179.03355	1.0
182.08176	1.6
183.08481	0.8
185.06361	0.9
193.12341	1.5
194.11818	2.4
203.03418	1.7
204.03763	6.1
207.07726	1.9
208.13374	0.8
210.07687	1.4
210.14948	1.2
216.03706	0.6
222.11308	2.3
232.03290	0.7
232.13295	0.6
236.12927	0.8
238.10742	5.7
239.11542	0.7
240.12331	6.1
250.14417	2.5
252.08669	0.7
254.13953	2.2
267.11002	3.5
276.12329	0.7
278.13870	1.4
280.05417	0.5
292.05356	0.7
296.14932	49.1
322.16095	0.5
323.12372	0.9
340.17587	100.0
341.17819	1.0
351.26535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.01875	7.2
55.05505	2.6
57.03436	9.8
57.07088	1.8
59.05003	28.2
61.02937	7.6
67.05491	2.6
69.03433	37.7
69.07086	1.7
69.33006	10.5
70.06605	1.8
71.04984	4.4
72.08169	1.7
73.02914	5.3
81.03416	23.2
81.07063	2.6
83.04992	2.4
83.08630	7.3
84.04501	2.0
85.02909	100.0
85.06560	1.5
87.00834	43.6
91.05476	4.7
93.07049	1.4
94.06541	1.5
95.04903	1.6
96.04505	1.9
97.02893	32.4
97.10178	5.4
98.21535	2.8
99.04470	14.9
105.01871	84.9
108.04498	1.7
109.02886	26.0
110.06007	1.5
115.03952	1.9
117.01851	1.5
117.07033	1.5
119.04958	2.1
119.08575	6.6
120.08115	1.5
122.06026	9.1
127.03918	78.3
134.76917	1.6
136.07587	2.0
137.05968	2.7
138.09129	9.1
140.07063	7.0
143.10660	26.5
145.04965	36.1
147.02904	1.9
147.04442	2.3
148.04773	2.7
148.06145	1.4
159.02931	8.6
160.07591	2.7
161.11720	17.5
164.07123	2.8
166.08611	13.4
167.03433	1.6
178.05013	3.8
182.08136	1.9
189.03955	3.0
207.06497	1.8
208.13371	1.4
213.03986	2.1
231.05016	27.2
235.05788	1.3
249.06122	12.5
254.13849	3.7
268.11758	1.9
291.10629	1.6
304.11871	4.8
322.12894	5.3
340.13947	3.9
340.17508	9.1
340.21320	3.1
356.23154	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62498	1.7
51.42575	1.5
53.03944	3.7
55.01868	7.8
55.05508	3.0
57.03425	7.7
61.02914	6.9
67.05489	2.7
68.14577	1.9
69.03082	2.4
69.03437	34.0
70.06583	2.7
70.66324	5.7
71.04992	4.4
73.02920	9.0
79.05511	2.1
81.03425	24.8
81.07031	1.9
83.05000	2.7
84.04511	4.1
85.02914	100.0
86.09682	2.0
86.25752	1.7
86.89287	1.6
87.00309	3.2
87.00838	51.1
91.05440	4.1
92.73538	1.9
93.07076	2.8
95.08605	2.4
97.02905	34.9
99.04461	18.5
101.02404	3.1
101.06604	1.8
101.10572	1.7
101.79730	1.9
105.01881	78.9
105.06985	1.9
107.08608	2.3
108.04526	2.0
109.02889	26.1
109.06516	3.7
117.01849	3.6
118.09948	1.8
119.08560	7.3
122.05991	3.7
125.05999	3.6
127.03930	76.3
129.01848	3.7
130.05008	4.5
137.05984	3.3
138.09114	2.4
145.03928	2.5
145.04987	41.6
147.02917	2.4
148.06024	2.0
149.06088	1.9
159.02885	14.3
166.08653	2.1
177.05421	2.3
177.92241	2.1
178.05020	7.3
189.04001	2.9
211.13350	2.1
213.03871	2.5
228.78111	1.9
231.05040	23.3
249.06108	7.4
296.15378	2.3
304.11710	8.7
322.12863	5.6
322.19974	2.2
340.13791	4.2
340.17542	4.1
340.21320	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1028
Annotation	6-hydroxyindole-3-carboxylic acd 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03949	1.9
55.01859	0.5
55.05525	1.2
57.03434	1.0
61.02919	0.4
67.05507	0.4
69.03082	0.4
69.03432	5.1
69.07057	0.5
70.06594	0.3
71.04973	0.6
71.10715	0.3
73.02920	0.3
77.03931	1.0
79.05492	0.4
79.42728	0.2
81.03421	6.2
81.07056	0.5
82.06580	0.3
83.04969	0.3
83.08612	0.9
85.02909	5.2
86.09715	0.2
91.05450	0.4
95.04995	1.2
95.08607	0.4
97.02903	3.4
98.15929	0.2
98.97540	0.3
99.04485	1.0
100.11265	3.8
103.05454	0.4
104.04996	5.4
105.04491	0.7
105.07040	0.6
107.08617	0.3
109.02883	2.9
109.06425	0.2
109.10132	0.4
111.04433	0.6
119.08552	0.3
121.06495	0.4
122.03583	0.2
122.10529	0.2
125.06010	0.3
127.03903	1.8
128.07066	0.3
131.08604	0.3
132.04460	0.3
133.06490	0.9
136.05164	0.3
137.05997	2.6
145.04970	0.7
146.07251	0.3
147.08022	0.5
151.07561	2.1
160.03937	3.2
160.82874	0.2
163.07532	0.5
177.09035	1.3
178.04997	100.0
179.05354	0.5
182.15410	1.1
196.06062	3.9
197.13010	0.3
209.16510	0.5
210.14851	1.3
213.17856	0.4
217.45346	0.2
227.17566	0.9
276.72772	1.3
304.08081	1.4
304.23373	0.3
309.14941	0.4
322.09204	4.8
322.24582	0.4
340.09796	1.5
340.13721	0.3
340.20248	0.3
340.26047	0.6
341.17456	0.5
343.30753	0.9
347.05981	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1027
Annotation	6-hydroxyindole-3-carboxylic acd 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.34071	0.3
53.03946	0.4
57.03439	0.7
61.02911	0.9
69.03426	2.3
69.40627	1.6
69.41058	1.2
73.02911	0.6
81.03420	1.1
85.02438	0.4
85.02908	5.4
91.03957	0.6
91.05484	0.6
97.02884	2.3
97.06562	0.4
98.20792	0.8
99.04435	0.4
104.05011	0.5
109.02840	0.6
109.43763	0.3
119.08570	2.0
119.90987	0.4
122.06026	0.7
122.49010	0.4
127.03934	0.9
132.04437	3.5
145.04990	0.6
148.04752	0.4
166.08636	0.5
175.11156	0.5
178.04997	100.0
179.05367	0.4
304.11932	0.5
322.12863	0.5
325.10275	0.5
340.10217	1.4
340.13861	0.5
340.17548	0.5
340.21219	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2895
Annotation	7alpha-Methoxy-8-labdene-3beta,15-diol
Peak:m/z	Relative Intensity
53.03934	1.2
55.05515	13.8
56.25586	1.1
56.92142	1.0
57.07087	6.3
59.05012	2.0
64.84103	1.0
67.05511	11.7
69.07079	21.6
69.32911	9.4
71.04993	4.9
71.08354	1.0
71.08642	11.0
79.05497	7.8
81.07063	67.1
83.04975	2.0
83.08617	14.8
85.06541	2.1
91.05483	5.1
92.08644	0.9
93.07048	17.6
95.08611	38.3
97.06554	1.6
97.10183	9.2
99.08099	8.7
105.07018	6.3
106.96812	1.1
107.08604	17.9
109.06528	4.4
109.10169	19.8
110.50937	1.1
111.08095	4.7
111.11711	3.2
117.77654	1.0
119.08588	10.4
121.10148	11.0
123.08071	7.2
123.11718	20.0
125.09642	2.1
127.07577	2.6
128.10553	1.2
131.08569	4.0
133.10161	7.5
135.08043	1.4
135.11720	5.9
137.09607	3.1
137.13264	5.9
141.12801	3.0
145.10139	4.5
147.11707	5.5
149.13283	8.5
151.11171	6.2
151.14835	4.2
155.14336	1.5
159.11723	7.5
161.13268	3.5
163.14861	3.5
165.12741	5.7
165.16418	1.8
173.13210	3.1
175.14851	15.9
175.56024	1.1
177.12729	5.1
177.16400	1.3
179.14249	1.2
187.13309	2.2
187.14838	1.9
189.16440	1.3
191.14282	1.8
193.04909	1.3
193.15918	2.4
201.16405	1.0
203.17987	1.4
205.19548	2.9
215.17859	1.3
223.20718	1.3
229.19505	2.1
265.21747	1.8
275.27390	14.9
283.16962	1.2
285.25751	7.2
293.28375	7.7
294.65393	1.0
303.26743	10.5
303.29623	1.6
311.48630	1.0
319.75946	1.1
321.27902	100.0
322.28226	1.4
322.31879	1.3
339.29181	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	24.4
55.26655	2.1
56.31003	2.1
57.07081	29.3
66.12775	1.8
67.05514	30.7
69.07074	42.7
70.06583	5.5
71.08637	14.6
79.05496	15.6
81.07062	93.8
83.04974	4.4
83.08625	24.8
85.06526	6.9
85.10165	3.6
86.72449	3.0
88.07600	5.8
91.05477	10.2
93.07044	24.8
95.04949	2.1
95.08610	74.7
96.33054	2.0
97.06512	5.8
97.10175	15.7
98.97572	4.5
99.04469	2.1
99.08084	8.9
102.09181	4.3
105.07040	10.6
107.08616	24.6
109.06490	4.5
109.10158	37.5
109.54451	2.4
111.08086	8.6
111.11694	6.7
111.36356	2.1
119.08588	13.3
121.10131	13.9
123.08064	8.6
123.11713	29.9
127.07558	5.1
131.08553	7.4
133.10120	9.7
133.72173	2.4
135.11696	13.8
137.09584	7.8
137.13234	9.3
141.12695	3.0
145.10109	8.2
147.11681	10.6
149.02344	12.8
149.13210	12.9
151.11168	6.8
151.14804	6.5
159.11674	9.0
161.13254	8.1
163.11118	2.5
165.12743	8.6
165.16414	4.2
169.12177	2.4
169.87994	2.4
173.13174	3.1
175.14807	13.3
177.12724	6.2
177.16389	2.9
179.14290	3.7
179.17940	2.9
189.16347	3.8
191.14284	3.5
191.17967	3.7
193.04994	30.0
193.15887	3.1
198.45126	2.1
205.19499	4.7
224.65643	14.0
225.15878	5.2
229.19522	3.5
235.20464	2.5
247.20554	2.7
256.26321	7.8
265.21725	2.5
275.27371	14.4
278.39090	2.5
280.11707	3.1
285.25735	16.3
293.28265	6.1
303.26807	19.6
321.27893	100.0
339.19153	2.9
339.27682	70.4
339.77832	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	339.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	28.9
57.07080	12.7
67.05508	38.2
69.07069	70.8
71.08627	5.9
79.05499	10.1
81.07061	87.8
83.08624	40.5
85.06569	5.5
91.05470	6.1
93.07053	14.3
95.08609	100.0
97.06557	9.0
97.10179	32.1
105.07046	17.6
107.08607	21.4
109.10158	60.0
111.11726	41.1
115.07559	9.6
119.08584	14.8
121.10162	14.4
123.11726	37.3
125.13272	18.0
126.62709	4.7
127.07528	6.0
129.09169	5.9
133.10118	9.2
135.11699	8.4
137.09674	7.4
137.13261	26.2
139.14841	7.5
141.09157	5.6
147.11690	16.1
149.13289	15.1
151.11168	9.5
151.14890	14.3
161.13208	10.2
165.12776	23.3
165.16364	7.2
169.12224	11.0
175.14902	8.7
179.14273	12.5
179.17926	5.4
183.13847	18.3
193.15935	8.8
195.13829	6.3
197.15448	10.3
207.17404	6.1
221.18979	8.3
239.20103	5.9
265.21863	5.7
285.25659	7.6
303.26837	7.5
321.27887	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	339.2683
Annotation	3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol
Peak:m/z	Relative Intensity
53.03940	0.5
55.01870	0.3
55.05513	4.3
57.03409	0.2
57.07077	1.3
59.04988	0.3
65.03925	0.2
67.05508	5.7
69.03444	0.2
69.07073	4.5
69.48952	0.2
69.49271	1.3
71.04987	0.3
71.08608	0.3
72.68745	0.2
77.54645	0.2
79.05492	2.7
81.07059	10.4
82.07381	0.2
83.04996	0.9
83.08629	2.5
85.06548	0.3
91.05480	2.9
93.06472	0.3
93.07047	5.6
95.04936	0.4
95.08610	10.1
97.06516	1.5
97.10175	1.5
99.08109	0.5
105.07038	6.1
107.08601	8.2
109.06512	0.8
109.10161	7.3
109.11272	0.2
111.08091	0.8
113.09655	0.1
115.05507	0.2
117.07032	1.6
119.08585	9.8
121.10149	7.2
123.07185	0.4
123.08079	7.7
123.11714	6.9
125.09649	1.1
127.11063	0.2
128.06229	0.4
129.07002	1.1
130.07716	0.3
131.07578	0.3
131.08571	5.4
132.09354	0.2
133.06613	0.2
133.10135	9.9
135.08109	0.4
135.11699	4.1
137.09616	2.2
137.13261	0.9
139.11168	0.8
141.06984	0.4
142.07780	0.5
143.08577	3.1
144.09329	0.9
145.10127	9.5
146.10895	0.3
147.08029	0.4
147.11690	5.8
149.09625	0.5
149.13274	1.8
151.11183	1.5
151.14713	0.3
153.12796	0.2
155.08565	1.4
156.09363	0.8
157.10133	5.0
158.10954	1.0
159.07988	0.2
159.11694	9.2
161.09592	0.5
161.13264	3.4
163.11180	0.8
163.14833	1.4
165.12750	1.3
167.08595	0.3
168.09349	0.3
169.10121	2.5
170.10924	0.8
171.11702	4.8
172.12451	0.7
173.09613	0.3
173.13271	6.2
174.14029	0.3
175.11180	0.7
175.14839	3.0
177.12762	1.3
177.16415	0.7
179.14323	0.2
181.10141	0.6
182.10909	0.5
183.11705	2.9
184.12492	0.8
185.09703	0.2
185.13271	3.9
186.14029	0.5
186.86136	0.2
187.11237	0.6
187.14830	10.6
188.15619	0.7
189.12791	0.9
189.16411	2.8
191.14305	0.6
193.15970	0.2
195.11681	1.0
196.12445	0.5
197.13240	2.9
198.10367	0.2
198.14020	0.4
199.11076	0.4
199.14836	3.5
201.12685	1.3
201.16397	11.6
202.17149	1.3
203.14308	1.4
203.17935	0.5
205.15918	0.3
207.11749	0.2
209.13318	1.4
211.14819	1.8
212.15538	0.2
213.12837	0.8
213.16396	2.9
215.14565	0.8
215.17947	3.5
217.15903	0.9
217.19479	0.9
221.13248	0.2
222.13918	0.3
223.14832	1.0
224.15550	0.3
225.16357	1.5
227.14308	0.7
227.17970	2.5
229.15875	0.7
229.19540	0.5
231.17433	1.3
235.15016	0.2
237.16414	1.4
238.17023	0.2
239.17903	1.4
240.18770	0.2
241.15974	0.8
241.19534	2.1
243.17479	1.0
251.17938	1.2
253.19521	7.8
255.17444	5.4
255.20972	0.9
257.19031	1.8
265.19608	1.2
267.21155	0.3
269.19037	4.1
270.19995	0.2
277.19507	0.2
278.20142	0.2
279.21115	0.9
281.19412	0.2
281.22693	0.5
282.59180	0.2
283.20593	2.4
283.23856	0.3
297.22211	2.1
297.25586	0.3
306.23315	0.3
311.23648	0.7
311.27200	0.4
321.25775	4.2
339.26831	100.0
340.27112	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80485	3.6
53.03954	5.9
54.88717	3.4
55.05511	23.1
57.03421	3.6
57.07068	8.8
58.22182	3.3
67.05507	56.7
69.07070	30.2
76.38072	3.6
79.05500	49.3
81.07064	94.3
83.08607	11.9
83.39653	3.4
85.06538	4.6
86.18318	3.4
89.39007	3.7
89.90613	3.1
91.05485	100.0
93.07043	38.0
95.08624	48.8
97.06535	8.5
97.10172	12.4
100.33047	3.6
105.07033	63.4
107.08578	31.8
109.10170	20.9
111.08092	4.6
117.07028	38.6
119.08575	48.7
121.10159	44.6
123.08038	5.3
123.11671	7.4
125.09609	6.4
129.07028	5.8
131.08580	43.0
133.10147	52.0
135.11731	16.9
142.07826	5.2
143.08568	11.4
145.10141	29.5
147.11673	28.3
149.13264	6.1
151.11179	3.6
155.08556	4.5
157.10138	13.8
159.11710	22.2
159.48517	3.4
161.13260	14.6
163.11150	5.2
169.10091	6.6
171.11707	11.8
173.13287	10.4
175.11220	6.6
177.12776	11.1
183.11740	6.8
187.13274	4.3
187.14798	4.2
197.13300	5.9
200.80171	3.5
209.15457	3.9
211.14781	3.5
239.17975	14.1
257.18988	30.8
275.20096	17.3
277.21637	9.5
283.16995	25.1
289.21667	85.0
307.22610	10.4
339.23151	8.1
339.27432	29.2
354.90884	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.4
57.68748	1.2
67.05489	2.8
70.59811	3.9
70.60184	1.8
71.04961	1.3
79.05492	3.8
81.07065	8.9
85.06521	4.0
85.63470	1.2
91.05461	3.7
93.05790	1.4
93.07025	1.8
94.06551	3.6
95.08591	2.2
96.08134	2.9
97.06547	2.2
98.06868	2.2
99.08004	1.3
108.08122	1.9
109.05305	1.4
110.06062	7.6
117.03381	1.5
118.98302	1.1
119.04916	2.2
120.04494	1.4
122.06031	23.4
123.06796	3.5
124.07606	17.1
134.06018	12.9
135.04420	3.0
136.07582	80.0
138.05504	2.8
138.09116	1.7
140.07027	6.1
141.12747	5.5
145.02812	3.3
147.04411	22.3
149.02292	2.4
150.05518	9.1
152.07066	89.0
154.08640	1.4
159.13747	2.4
163.03902	12.1
164.07071	100.0
168.06563	3.8
170.08127	14.9
172.09750	1.5
175.03929	3.4
177.01842	1.4
177.05463	6.0
177.14923	1.4
178.04953	3.3
182.08134	31.3
184.09671	1.4
187.03940	1.6
203.03404	40.1
205.05046	2.5
214.12361	1.8
215.03372	3.3
231.02901	6.6
232.13284	1.3
233.04391	1.5
242.11778	2.1
243.11372	1.4
253.15536	1.4
260.12787	3.1
261.03900	2.2
279.04987	4.8
285.12366	2.0
291.04984	2.2
303.13391	45.9
303.16867	2.6
321.14444	21.5
339.15445	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	339.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.05516	5.2
57.03439	2.0
57.07076	3.7
59.05013	2.7
64.43281	1.4
67.05173	2.0
67.05508	28.5
69.03435	2.3
69.07054	1.3
69.36717	3.5
69.37146	6.3
70.06600	3.2
71.04997	71.5
72.08170	1.9
73.29256	1.1
74.97352	1.3
79.05502	2.9
81.07063	55.4
83.04987	1.3
83.08611	1.9
84.08143	5.5
85.02913	8.8
85.06547	20.9
91.05500	1.7
93.07035	2.7
94.06593	4.6
95.04977	2.8
95.08621	5.6
96.04485	1.5
96.08948	2.9
97.02890	2.6
97.06539	3.8
97.10194	1.9
98.06857	2.9
98.20699	2.5
99.08112	2.7
103.05489	3.3
107.04951	1.5
108.04484	2.0
109.06548	2.4
110.06056	5.0
112.07614	5.0
117.03367	2.8
119.04943	2.5
122.06041	42.8
123.04447	1.9
123.11716	15.1
124.07590	1.6
124.08406	1.3
130.05042	1.7
131.04895	2.9
131.08585	1.4
135.04445	5.8
136.07607	8.9
138.05527	3.0
138.09140	7.9
140.07066	4.1
141.09163	2.2
141.12749	100.0
145.02861	5.4
147.04414	21.1
149.02333	3.1
149.05991	1.4
150.05519	24.7
151.03864	1.8
152.07063	5.0
154.08640	5.4
156.06595	2.6
159.09146	2.7
159.13823	42.9
163.03920	27.5
164.07079	8.7
166.05016	6.0
166.08647	2.4
168.06609	4.9
172.09741	7.9
175.03934	4.2
177.01884	2.9
177.03989	2.8
177.05501	10.2
177.14873	31.8
178.05083	1.7
179.03374	1.6
182.08134	5.5
184.06000	1.9
187.03923	2.3
189.05550	2.0
203.03407	78.8
205.05026	2.8
205.09833	2.0
207.06563	3.7
215.03453	3.9
229.05115	2.4
231.02895	8.9
233.04478	4.1
258.11227	2.1
261.03986	4.2
261.12439	2.7
275.13791	1.3
279.05005	7.9
285.12311	2.1
291.05066	4.4
303.13428	11.0
321.10620	1.7
321.14410	20.1
339.07019	2.4
339.11258	5.1
339.15466	23.8
339.19183	2.5
340.17606	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16169	0.4
55.01865	1.2
61.32027	0.5
61.85054	0.4
67.52126	0.5
69.70074	0.7
69.70493	2.5
71.01340	0.4
72.93812	0.4
82.63870	0.4
89.03920	1.3
91.05473	1.0
91.43526	0.5
95.01337	0.6
103.05438	1.3
109.30111	0.4
115.05529	0.6
117.03368	1.8
119.04928	0.5
121.02826	1.5
123.04433	2.5
124.16784	0.4
125.82905	0.5
131.04930	2.5
135.04433	4.2
145.02826	2.5
147.04411	22.1
149.02376	3.8
149.05983	1.2
151.03854	0.5
154.08601	0.7
159.04430	1.5
161.05968	0.8
162.03127	0.6
163.03917	26.3
165.05551	0.6
173.05943	0.9
175.03918	3.1
177.01871	4.3
177.03453	0.5
177.04002	1.0
177.05455	5.8
183.04462	0.7
185.02267	0.5
187.03918	2.9
189.01837	0.5
189.05467	1.6
191.03305	0.7
201.05470	0.6
203.03401	100.0
204.03751	0.9
205.04993	5.1
207.06383	0.6
213.05531	0.9
215.03400	5.6
217.05017	0.6
219.02843	1.7
221.04359	0.7
229.04982	1.8
231.02901	14.8
233.04414	4.0
241.04799	0.5
247.06017	0.7
261.03998	6.4
275.05484	0.5
279.02170	0.8
279.05008	9.8
291.04993	7.1
303.04916	0.6
308.26428	0.4
321.06076	1.2
339.07059	2.6
339.10553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
55.05515	8.5
55.40987	0.7
55.55661	0.8
57.03443	2.2
67.05515	4.3
69.03440	2.1
69.07076	6.7
70.06603	1.9
71.04990	1.9
71.27509	1.2
71.27869	0.8
72.08152	1.4
79.05493	1.4
81.03445	1.6
81.07068	10.2
83.05000	3.8
84.08138	1.4
85.02913	6.7
86.09682	1.8
93.07056	1.2
95.08618	29.0
97.02911	2.3
97.06543	41.8
97.10178	4.6
99.08101	2.2
105.07076	1.4
111.07996	0.8
113.09636	6.5
123.08086	16.9
127.03911	1.4
130.06558	1.6
141.09117	100.0
142.08678	2.7
159.10188	45.7
164.15005	0.8
166.81836	0.9
176.03432	1.5
177.05553	2.0
182.11841	1.2
192.06708	0.8
262.57919	0.9
338.16104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01872	1.0
55.05505	1.9
57.03432	1.7
59.36959	0.8
65.03934	2.2
67.05508	5.8
69.03433	5.8
69.07076	4.5
70.06575	1.5
70.89407	1.6
71.04979	1.0
79.05501	3.0
81.03427	7.7
81.07067	10.6
82.07386	0.8
83.04984	1.3
84.08136	1.8
85.02914	12.4
86.09698	1.3
91.05485	1.0
92.05018	3.4
93.07027	1.3
95.05007	1.1
95.08616	39.9
97.02897	4.1
97.06539	40.1
99.04441	2.2
99.08098	6.7
105.07079	1.8
109.02853	4.4
113.09650	12.6
120.04459	1.3
123.08084	16.5
127.03981	4.1
136.07564	1.4
137.05959	0.9
141.09113	68.3
144.19022	1.0
145.04996	1.4
148.03943	3.2
150.05553	1.1
159.10179	52.1
166.05025	4.6
176.03442	100.0
192.06438	1.3
194.04506	17.2
269.10568	0.8
274.19919	0.9
320.07687	3.6
338.08652	5.3
346.60489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43218	1.7
55.05527	2.0
57.03442	3.4
62.98721	1.5
67.05492	1.6
69.03429	2.3
69.07059	2.2
69.82883	2.9
69.83288	7.3
79.05489	3.6
81.03445	2.1
81.07063	8.8
83.08612	2.7
85.02908	3.5
85.06545	10.1
91.05476	3.0
93.07043	14.4
97.06538	89.7
98.21481	1.6
105.24544	1.9
109.06517	5.5
111.08089	11.0
121.06532	3.3
122.64214	1.8
122.65157	2.0
127.07563	21.2
139.07549	17.1
157.08615	100.0
175.09653	8.1
297.35516	2.1
319.12933	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39885	1.4
53.90540	1.3
55.01867	1.6
55.05502	1.8
57.03434	3.4
67.05508	6.0
69.07069	18.5
69.92910	6.1
71.04986	1.6
72.08164	1.4
73.06563	1.3
79.05491	1.9
80.21547	1.2
81.03437	1.2
81.07055	20.9
84.04520	1.2
84.08130	1.2
85.02905	23.0
86.09698	2.1
87.07303	1.2
91.03923	1.4
91.05458	2.4
93.07042	3.0
95.08610	100.0
97.06545	9.3
99.04456	5.6
99.08082	4.4
103.03968	1.6
105.07048	1.8
113.09644	11.4
115.07574	25.5
118.61969	1.1
120.08113	1.4
123.08069	41.6
127.03899	2.6
135.04396	1.9
141.09100	93.9
147.04396	9.0
149.06079	1.6
159.04301	1.4
159.10168	81.9
163.03922	9.2
176.03426	4.2
177.01790	1.4
177.05331	2.7
203.03401	26.6
231.02956	3.2
279.04956	2.3
291.04877	1.7
320.11230	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01884	1.2
55.05507	3.5
56.96576	2.2
57.03434	3.8
60.61265	0.9
67.05505	2.4
69.03428	2.4
69.07067	6.3
69.69153	5.0
69.69566	1.7
70.06596	1.8
71.04990	2.9
79.05486	4.4
81.03405	1.2
81.07070	10.4
83.04986	1.2
83.08624	3.9
85.02906	7.1
85.06544	10.4
91.05484	3.3
93.07056	17.3
93.42024	1.1
95.04965	1.7
97.02907	1.5
97.06536	100.0
98.20778	1.2
98.97582	1.2
103.05469	1.1
105.03403	1.1
109.06496	6.1
111.08090	11.8
113.55781	1.0
121.06511	2.4
127.07569	22.8
139.07547	16.1
139.42780	0.9
146.05998	3.4
157.08612	84.4
163.03938	1.5
169.06454	1.2
175.09660	5.7
237.02921	1.1
301.12064	1.5
319.12918	3.9
325.06738	1.1
337.09634	2.4
337.13998	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	337.0896
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
57.21091	1.1
59.98366	1.1
63.42964	1.0
63.73735	0.9
63.80439	0.9
70.22346	2.8
70.22743	2.4
106.09264	1.2
110.04601	1.1
136.83725	1.1
239.46980	1.2
326.50406	1.4
334.50980	1.3
337.08975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21091	1.1
59.98366	1.1
63.42964	1.0
63.73735	0.9
63.80439	0.9
70.22346	2.8
70.22743	2.4
106.09264	1.2
110.04601	1.1
136.83725	1.1
239.46980	1.2
326.50406	1.4
334.50980	1.3
337.08975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.3
65.03942	7.2
67.05510	3.9
69.03434	2.7
69.07059	2.8
70.06571	2.4
71.39497	3.4
75.40429	2.1
79.05494	5.0
81.03395	2.8
81.07050	5.6
91.05490	4.3
92.04992	6.9
93.07038	5.4
95.04969	3.1
95.08643	4.7
96.08145	8.3
97.06543	3.7
105.07046	3.9
107.08620	3.7
109.02896	2.5
109.10164	2.6
119.08623	3.7
120.08146	3.9
121.06511	3.3
121.10203	2.4
122.06055	5.1
123.08120	2.7
124.07583	6.6
126.09207	11.1
130.06604	2.9
131.08559	2.7
132.76660	2.2
136.07596	8.7
137.05998	2.9
138.05515	4.5
138.09178	3.7
141.09114	6.3
142.07715	2.3
143.08585	2.7
145.10173	2.1
148.03920	5.2
150.05495	2.0
151.03801	1.9
152.04778	1.6
152.07072	45.6
156.09406	2.7
157.10149	3.8
159.11662	4.9
161.69637	2.2
162.05551	2.3
163.07513	2.5
164.07085	4.8
165.09192	3.0
166.05011	81.8
171.11705	3.8
173.09633	8.0
176.03435	20.2
182.04491	16.3
182.08112	4.2
185.13254	3.5
191.07027	5.6
194.04488	13.4
198.07748	5.0
200.10706	4.6
212.09445	4.0
213.12785	3.4
214.08734	3.0
217.09583	2.0
225.10265	3.9
227.08257	3.9
227.11861	5.7
228.10202	7.8
229.09775	3.3
231.13727	3.0
233.09305	3.9
240.09019	4.7
241.09827	2.9
243.11359	3.6
253.09773	7.5
255.11282	7.1
256.09689	5.1
257.09293	4.0
259.07162	3.7
259.10901	4.8
259.13257	4.3
261.12592	2.4
270.10101	2.8
271.10739	16.2
272.09109	3.2
273.12405	6.5
274.10718	11.1
283.10782	67.4
289.11810	10.4
301.11853	62.9
301.15155	4.5
319.12891	100.0
320.11288	7.7
337.10352	3.7
337.13626	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	336.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20498	0.7
55.05528	3.9
62.37715	0.8
62.81120	0.8
65.03947	1.0
67.05505	8.3
69.03405	1.0
69.07065	4.2
70.06581	1.6
72.08151	0.8
79.05495	7.2
81.03412	1.1
81.07059	23.7
83.08619	7.2
84.04562	0.8
85.02912	1.5
86.09709	6.4
89.29426	0.7
91.05486	9.9
93.06474	1.4
93.07050	24.1
93.07631	1.4
93.84595	0.7
95.08615	25.9
97.06538	1.3
97.10174	2.5
98.09704	4.0
98.20695	1.5
105.07040	14.7
105.32768	0.6
107.04967	1.1
107.08598	21.7
108.08918	0.8
109.02852	1.4
109.10157	12.7
111.11695	1.7
117.07047	3.4
119.08590	10.1
120.08118	7.1
121.10150	14.9
123.11723	3.7
130.06525	1.8
131.08557	4.9
132.05302	0.8
133.10143	11.1
135.11684	12.2
136.07518	0.8
137.06020	0.9
137.13240	1.4
139.11218	1.1
141.24733	0.7
143.08597	1.7
143.11813	5.2
144.10173	7.4
145.10129	5.0
147.11700	16.6
149.13258	10.6
154.69006	0.8
155.08446	0.8
157.10135	1.7
159.08072	0.8
159.11684	4.6
161.09662	0.9
161.13263	16.8
163.14810	7.8
165.09142	0.8
166.08672	2.3
167.07047	1.8
171.11414	1.2
173.13246	5.8
175.14832	11.1
177.10240	1.7
177.12724	0.7
177.16415	2.8
187.14833	3.3
189.16397	7.8
199.14880	1.3
201.16371	5.9
201.23468	0.9
203.17889	0.9
205.09813	1.1
213.16423	1.2
215.17970	7.1
227.17987	2.4
229.19505	1.4
237.49896	0.7
243.11172	0.8
244.13283	0.9
257.22656	54.3
283.24213	37.0
290.13974	1.1
301.25336	2.1
318.18823	1.2
336.28976	100.0
337.10638	2.2
337.29480	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73618	0.5
53.03947	0.6
55.05512	3.1
66.55144	0.5
67.05507	8.6
69.07062	3.7
69.47358	4.3
70.07407	0.6
77.03914	0.7
77.90810	0.6
79.05504	6.1
81.07062	23.6
83.08630	6.9
86.02225	0.5
91.05476	7.4
93.07047	27.8
95.04958	1.1
95.08611	27.8
97.10176	1.6
98.89822	0.6
101.45757	0.5
105.07028	14.5
107.08598	18.9
109.09456	1.2
109.10156	11.8
109.37888	0.6
111.11713	2.2
117.07048	1.1
119.08593	8.9
121.10144	13.7
123.11716	4.1
131.08568	2.6
133.10149	9.8
135.11696	12.8
137.13235	1.0
142.38086	0.6
143.08556	1.2
145.10127	5.1
147.10498	0.9
147.11693	15.0
149.13278	10.5
157.10175	1.3
159.11734	3.6
161.13278	13.3
163.14838	7.1
165.16150	0.6
173.13327	3.4
175.14841	11.8
177.16409	2.6
179.17928	0.7
185.13232	0.9
187.14818	4.1
189.16389	5.0
201.16391	5.4
203.17979	2.4
205.19615	0.7
213.16388	1.7
215.17952	9.9
217.19539	0.9
227.17976	2.2
229.19531	1.1
233.19069	0.8
257.22653	51.4
283.15375	0.7
283.24203	28.9
301.25385	1.0
336.28976	100.0
337.29288	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
55.05305	0.7
55.05521	6.5
56.77816	0.9
57.03419	0.8
66.46102	0.8
67.05496	2.3
67.46278	0.7
69.03429	2.1
69.07069	2.7
70.06587	3.4
70.65935	1.5
72.08143	3.8
79.05491	2.0
81.03407	1.1
81.07037	1.9
83.08629	29.8
84.08139	2.5
85.02911	3.6
85.06506	0.8
86.09699	1.8
90.09205	1.7
91.05469	3.0
93.07058	15.9
95.04980	1.2
95.08615	0.9
96.04503	0.8
97.02870	1.3
97.06528	4.9
111.08100	18.7
115.79298	0.9
115.85201	1.0
120.08105	3.5
121.06496	3.3
122.02766	0.9
124.07549	0.9
127.03876	1.4
129.10229	1.0
133.10133	1.2
135.08139	0.8
137.05949	1.9
138.06285	0.9
139.07541	14.1
150.05571	0.9
153.05504	1.0
157.08620	100.0
158.09026	1.1
161.09601	0.8
162.05489	1.1
174.05820	1.0
174.14912	2.5
207.06369	0.9
216.12161	1.2
272.11258	1.7
288.10721	2.0
290.09961	1.8
290.12579	1.2
318.11722	4.6
336.12741	1.6
336.23358	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.3
59.92969	0.7
65.74895	0.7
69.03410	1.4
69.07057	3.3
70.06577	1.6
70.30048	1.8
70.30447	1.4
77.49613	0.7
81.07026	1.2
83.08150	1.4
83.08626	27.9
85.02909	2.4
91.05481	2.3
93.07052	13.7
95.04952	1.7
95.08605	1.1
97.02922	1.3
97.06525	3.3
111.08088	16.4
121.06532	2.1
129.09131	1.5
139.07547	6.1
146.05882	1.0
148.35582	0.8
157.08618	100.0
216.12221	1.2
259.10635	1.2
272.11096	2.5
290.12109	1.5
318.11771	2.2
336.12512	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
53.45409	0.6
55.01863	1.4
55.05520	1.0
57.03442	1.0
61.02938	0.9
61.77265	0.7
69.03440	5.4
70.06593	6.1
71.04971	0.7
72.08131	1.5
73.02916	0.7
75.25156	0.6
79.05502	1.0
81.03425	2.7
81.07043	1.1
83.30407	0.7
84.08131	0.7
85.02428	1.3
85.02911	15.8
87.00826	3.9
88.07635	100.0
93.07049	1.2
96.04484	1.2
97.02918	3.3
99.04452	1.9
104.07134	1.4
105.01871	4.3
109.02890	4.0
111.08108	1.6
127.03925	11.4
132.08119	0.9
133.08488	0.9
136.07574	0.8
139.07607	2.1
145.04961	3.4
146.06099	0.9
147.06360	1.3
156.04765	1.4
156.08176	1.2
157.08629	6.1
166.05313	0.8
174.05737	2.0
174.09181	1.1
188.07115	1.8
189.04007	1.1
189.07469	1.6
197.00870	0.8
200.08890	0.8
201.09875	0.8
216.12181	1.3
218.08293	0.8
230.10120	1.5
231.05074	2.3
244.09563	1.0
244.11705	2.2
246.09642	2.5
272.11292	4.0
288.10663	2.0
290.09872	1.3
290.12604	1.6
300.10709	2.0
306.09415	0.9
318.11978	3.8
336.13016	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	335.2581
Annotation	17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
53.03938	8.3
55.05498	8.9
67.05504	17.1
69.07072	4.4
70.53407	6.6
70.53740	3.5
71.04983	10.5
77.03954	3.1
79.05502	22.8
81.03432	16.4
81.07058	50.4
83.04964	3.0
83.08631	4.7
85.06554	3.5
91.05489	26.3
93.07047	60.7
95.04961	5.0
95.08607	55.7
97.10186	3.9
105.07035	52.7
107.08598	42.6
109.02885	53.8
109.06553	4.2
109.10149	25.3
117.07008	12.4
119.08586	44.6
121.06515	3.6
121.10143	42.3
123.08083	9.5
123.11713	10.3
127.07563	4.5
129.07028	8.5
131.08583	34.8
133.10144	39.2
135.08075	3.5
135.11679	20.0
137.09642	3.3
137.13216	2.9
140.07056	9.2
142.07797	3.1
143.08548	17.4
145.08600	10.4
145.10118	37.4
147.11694	21.5
149.09651	17.7
149.13261	14.5
155.08546	4.4
157.10118	29.1
159.11691	36.7
161.09624	5.0
161.13260	20.8
163.11154	5.3
163.14792	5.6
167.06966	3.6
169.10141	8.9
171.11641	18.6
173.13258	21.0
175.11191	4.8
175.14850	21.3
177.16360	6.8
178.05038	4.0
183.11652	4.4
185.13269	12.3
187.14839	14.3
189.16415	19.8
197.13177	6.4
199.14880	16.0
201.16429	3.9
203.14316	4.4
203.18011	5.1
211.14871	6.8
213.16394	27.4
215.17966	30.5
217.15926	4.1
225.16431	9.9
227.18053	13.6
229.15703	3.5
229.19534	5.2
231.17464	32.3
239.17975	4.0
241.19591	5.3
245.19022	14.4
249.18484	7.9
255.21111	50.2
263.20071	3.4
273.22165	44.7
281.22650	47.0
299.23718	100.0
317.21179	4.8
317.24765	57.2
335.25833	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	335.2579
Annotation	17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
55.05510	3.5
67.05508	9.2
69.07066	4.5
70.02728	4.5
79.05107	1.3
79.05505	9.8
81.07063	18.8
83.04994	2.2
83.08608	3.5
90.04394	1.0
91.05494	5.7
93.07047	19.3
95.08611	11.2
97.06516	1.3
97.10192	1.3
98.20702	1.2
105.07037	13.5
107.08596	19.4
109.09480	1.3
109.10173	18.4
117.07034	2.3
119.08595	13.3
121.10137	10.8
123.08081	2.3
123.11728	6.4
125.76151	1.0
129.07037	1.8
131.08571	4.6
133.10144	12.1
135.08069	3.8
135.11696	45.2
138.02277	1.0
143.08592	2.4
145.10141	7.5
147.11705	10.2
149.09720	1.1
149.13255	5.1
151.11200	2.9
157.10139	4.3
159.11700	9.8
161.13248	15.6
163.11153	2.7
163.14824	1.3
171.11639	2.7
173.13264	5.6
175.14761	1.9
177.12747	3.1
185.13261	3.0
187.14787	2.6
189.12791	2.7
189.16289	1.6
191.14336	3.7
197.13321	1.3
199.14835	4.6
203.14253	1.6
211.14798	2.3
213.16393	1.4
215.17969	10.9
217.15869	6.0
225.16374	4.2
227.17969	10.4
233.18944	2.6
281.22708	13.1
299.23712	100.0
300.24396	1.5
317.24731	2.9
336.15167	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
54.01345	2.4
55.01863	3.0
55.05512	11.9
67.05503	19.7
69.03423	5.7
69.07066	9.5
69.43871	19.1
71.04993	7.0
76.24764	2.4
79.05492	20.0
81.03419	5.3
81.07061	55.5
83.04997	5.6
83.08615	5.4
85.06512	2.9
91.05474	18.9
93.07047	53.3
93.08770	2.2
95.04969	5.4
95.08612	61.2
97.06552	5.5
97.10182	3.8
99.08115	2.2
105.07037	48.0
106.07375	3.0
107.04964	4.2
107.08591	52.1
109.02888	8.2
109.06540	6.8
109.10152	25.5
117.07025	12.6
119.08591	48.3
121.06541	5.3
121.10152	39.9
123.08100	5.2
123.11728	9.1
129.07040	7.1
131.08577	30.6
133.10127	38.3
135.08072	6.8
135.11691	21.8
137.09595	2.7
137.13264	5.4
139.11154	2.4
139.32487	2.3
141.07085	3.1
142.07782	3.9
143.08566	14.1
145.10133	26.0
147.11703	24.3
149.09633	18.3
149.13232	13.9
155.08557	7.1
157.10103	22.9
159.11687	32.0
159.12875	3.7
161.09639	4.9
161.13269	15.1
163.11211	7.8
163.14835	8.0
165.12744	2.6
169.10149	5.2
171.11676	15.2
173.13254	26.4
175.11205	4.1
175.14842	20.9
177.12701	4.8
177.16415	4.3
182.10855	3.2
183.11752	6.3
185.13235	11.1
187.14848	11.6
189.12808	3.3
189.16383	29.8
191.07085	5.6
197.13283	7.7
198.14087	3.4
199.14809	16.4
200.15543	2.9
201.16397	5.8
203.14224	4.2
203.18056	3.0
203.47227	2.4
211.14836	10.7
213.16368	21.6
215.14449	3.8
215.17966	24.0
217.43144	2.6
225.16388	7.3
227.17902	11.4
229.15736	2.5
229.19510	7.7
231.17429	29.5
239.17857	5.6
241.19562	10.1
245.19044	9.0
249.18561	5.0
253.19637	2.6
255.21114	42.5
273.22147	36.4
274.22516	8.9
281.22635	45.4
291.19540	3.4
299.20483	3.9
299.23688	100.0
300.24106	3.9
303.09497	2.3
303.13138	3.3
317.21176	4.3
317.24719	52.3
335.21979	5.8
335.25916	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.81576	1.2
53.03946	2.7
54.46967	1.2
55.05516	16.6
57.03199	1.5
57.03444	19.6
57.07081	1.9
65.03932	2.0
67.05507	70.3
69.03406	1.5
69.07072	14.2
71.04971	1.4
71.19077	1.8
71.19407	1.8
79.05075	1.9
79.05501	33.0
81.07060	65.4
83.04965	2.1
83.08633	7.2
85.06531	1.9
91.05480	17.0
93.07047	39.1
95.04938	2.7
95.08611	52.9
97.06512	2.4
97.10153	3.1
105.04496	1.5
105.07025	9.1
107.08598	18.0
109.10159	20.9
111.11666	1.3
115.60638	1.4
117.07018	3.3
119.08579	8.8
121.10154	16.3
123.08047	2.1
123.11716	8.1
131.08572	5.5
133.10106	6.9
135.11705	8.1
145.10135	4.2
147.11659	6.2
149.13245	5.7
159.11705	3.8
161.13268	4.1
173.13261	4.6
175.14806	1.3
177.16252	1.7
179.14333	2.2
180.68748	1.2
187.14798	2.1
227.64522	1.5
243.21135	4.0
255.84412	1.4
261.22156	4.8
335.25806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	fusicocca-1,10(14)-diene-16-(hydroxymethyl)-3,8beta-diol
Peak:m/z	Relative Intensity
53.03935	3.2
55.01860	1.7
55.05510	21.0
57.03440	12.9
57.07081	2.4
61.02711	1.7
64.93862	1.6
65.03938	3.1
67.05508	62.3
69.07069	17.7
71.04977	4.7
79.05059	2.8
79.05495	34.9
81.07058	70.3
83.04977	2.9
83.08618	6.8
85.06556	2.2
89.43211	1.7
91.05486	21.2
93.06485	2.0
93.07050	41.5
95.04946	4.3
95.08611	58.6
97.06518	3.4
97.10173	4.6
98.20714	3.6
99.04470	1.9
101.06018	2.7
105.07028	18.3
107.08594	33.3
109.06538	2.6
109.10157	28.1
117.07018	4.5
119.08607	13.1
121.10145	28.8
123.08038	2.3
123.11722	12.8
131.08557	9.1
133.10135	13.2
135.08133	2.0
135.11714	22.1
137.13179	2.2
143.08554	2.1
145.10126	6.5
147.11702	10.5
149.09708	2.8
149.13269	20.7
157.10133	3.2
159.11707	4.5
160.82858	1.8
161.13326	8.3
163.14806	4.1
167.10674	3.6
171.11743	2.8
173.13239	5.4
175.11328	2.5
175.14836	10.8
177.16512	2.0
185.13394	2.6
187.14777	2.9
195.13808	3.5
203.17929	5.6
207.13786	1.8
221.15334	4.0
227.11130	1.8
235.16776	2.1
243.21078	2.2
250.52319	1.7
255.21078	2.6
273.22128	3.1
281.22617	4.2
299.23697	6.5
306.83652	1.7
317.24734	31.1
335.25812	100.0
341.01419	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
55.05521	14.6
57.03442	15.9
57.07062	2.9
65.26569	3.3
67.05511	66.7
69.07073	14.2
71.55074	4.3
79.05486	31.1
81.07063	68.1
83.08627	7.5
86.04060	3.0
91.05471	11.1
93.07056	36.8
95.04960	4.6
95.08617	52.2
105.07019	9.9
107.08604	21.4
109.10152	19.1
117.06993	4.6
119.08613	8.8
121.10145	11.6
123.11786	4.3
131.08580	8.1
135.11681	11.0
145.10176	2.9
149.13286	4.4
154.50603	2.9
161.13216	5.6
223.23624	3.2
259.84634	3.0
261.22131	6.2
335.25824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
55.05511	3.4
67.05509	9.9
69.07068	2.4
70.01814	3.7
79.05495	11.8
79.15713	0.8
81.07063	18.9
83.04969	1.9
83.08640	1.6
91.05485	7.0
93.07047	16.5
95.08617	10.5
97.10172	1.1
97.44473	0.8
98.20795	1.0
101.57276	0.8
105.07042	11.5
107.08597	16.7
109.10172	16.4
117.07072	1.7
119.08591	12.2
121.10149	12.2
123.08032	1.5
123.11715	5.5
129.06993	1.7
131.08572	4.1
133.10133	12.2
135.08089	8.3
135.11700	47.8
137.09636	1.9
137.13266	1.8
143.08614	2.7
145.10152	5.8
147.11708	10.7
149.09613	1.4
149.13251	4.3
151.11201	2.4
157.10153	2.7
159.11713	8.5
161.13264	16.5
163.11180	3.1
163.14842	2.1
171.11722	3.0
173.13292	5.6
175.11217	1.1
175.14832	2.0
177.12758	3.8
179.14252	1.5
185.13284	3.3
187.14835	3.1
189.12764	2.6
189.16400	3.0
191.14308	4.0
197.13223	1.5
199.14763	4.4
201.16479	1.8
203.14395	2.0
211.14845	2.5
215.17961	13.2
217.15889	5.7
225.16466	2.8
227.17984	11.7
233.19005	2.4
243.17366	1.7
281.22668	13.7
299.23709	100.0
300.24103	1.2
317.24844	1.9
335.25873	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
53.03947	2.4
55.05504	8.2
58.06583	2.7
64.97085	2.3
67.05486	9.1
68.79294	2.3
69.07063	4.9
72.42439	2.4
79.05477	10.5
80.13464	2.3
81.07062	32.6
83.08620	5.3
88.07614	8.7
91.05486	16.0
93.07041	32.9
95.04937	2.6
95.08608	48.1
98.20779	5.0
105.07030	34.3
107.04938	3.0
107.08602	29.1
109.10158	15.3
117.07008	9.9
119.08591	23.3
121.10150	25.5
121.12360	2.4
123.08021	4.9
123.11679	6.9
129.06995	5.0
131.08556	19.9
133.10120	26.5
135.08047	4.4
135.11703	22.4
137.13197	2.2
142.07712	3.7
143.08586	11.3
145.10107	19.7
146.87892	2.5
147.11659	11.8
149.09651	18.2
149.13268	10.0
155.08562	5.4
157.10149	23.0
159.11736	15.3
161.13278	14.6
163.11234	2.7
163.14812	6.0
163.81927	2.3
167.10632	3.2
169.10123	5.7
171.11662	10.2
172.14859	2.3
173.13246	14.0
175.11165	3.4
175.14771	15.2
175.42159	2.5
177.12759	2.4
177.16411	4.2
183.11691	3.8
183.63112	2.6
185.13271	11.0
187.14822	8.1
189.16373	24.0
197.13234	6.8
199.14824	8.5
201.16312	4.3
203.14259	3.6
203.17889	2.3
211.14795	9.8
213.16420	19.0
215.17848	2.8
225.16357	6.9
227.18011	10.8
229.15781	2.6
231.17493	26.1
239.17993	4.3
241.19337	5.6
243.25090	8.8
245.18886	6.2
249.18472	3.9
255.21013	6.5
271.24237	2.7
273.22012	3.4
281.22653	48.2
281.34085	2.9
299.23679	100.0
300.89468	2.3
317.24756	50.0
335.25754	22.8
335.29810	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
53.03938	4.4
55.05496	7.2
57.72658	3.0
59.28518	2.7
59.39622	2.8
62.75562	3.2
67.05498	11.9
67.77924	2.6
69.07059	6.4
69.20963	26.2
71.50753	2.8
79.05482	13.8
81.07057	24.9
83.08615	3.4
83.81223	3.1
91.05482	8.1
93.07037	24.2
95.08619	25.7
98.20610	4.8
105.07018	10.9
107.08583	28.3
109.10149	16.2
119.08585	24.8
121.10149	43.5
123.08029	3.7
123.11740	4.9
131.08572	6.8
133.10127	10.7
135.08034	11.4
135.11700	66.3
137.09604	5.7
137.13242	12.5
145.10138	10.0
147.11700	19.2
149.09607	5.7
149.13232	9.7
151.11128	4.3
152.19505	3.9
152.93147	3.0
157.10185	5.5
159.11679	11.1
161.13258	50.8
163.11192	5.6
173.13283	7.2
177.12775	10.5
179.14336	19.3
185.13170	5.6
187.14778	4.9
189.16373	3.8
199.14772	3.4
203.14236	4.9
205.15877	4.3
211.14816	5.6
215.17946	19.4
217.15820	5.6
227.17921	40.0
281.22675	23.1
299.23727	100.0
317.24829	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03934	3.1
55.01881	1.0
55.05267	1.3
55.05514	19.4
55.75552	0.9
57.03438	18.7
57.07070	2.6
65.03931	3.1
67.05506	65.1
69.07070	15.3
70.80629	2.3
71.04991	2.0
79.05494	32.2
81.03398	1.0
81.07058	59.2
83.04980	1.5
83.08617	5.7
85.06525	1.1
91.05476	15.2
93.07047	33.6
93.72676	1.0
95.04984	2.0
95.08604	40.9
97.06526	2.1
97.10182	2.1
105.07025	9.7
107.08595	16.1
109.06539	1.4
109.09464	1.6
109.10159	18.2
111.08046	1.6
117.06975	1.6
119.08584	6.9
121.10148	13.5
123.11710	4.8
131.08575	5.4
133.10138	5.4
135.11719	7.6
145.10147	4.4
147.11684	3.3
149.13232	4.3
159.11665	2.6
161.13242	3.0
163.14772	2.3
173.13277	2.1
175.14865	1.6
187.14841	1.8
202.42528	1.0
227.74152	0.9
243.21106	2.5
253.43320	1.0
261.22079	4.9
315.10910	0.9
335.25803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.4
57.03441	1.6
61.02900	1.8
66.71281	1.4
69.03075	1.7
69.03434	16.8
69.07053	1.5
69.36774	12.3
70.06567	1.5
71.04980	5.6
72.04510	1.7
75.09121	1.7
81.03426	31.9
85.02908	54.2
89.02369	4.4
93.03404	1.4
97.02882	4.2
97.06513	2.1
98.20757	3.2
98.21396	5.2
99.04463	27.9
103.03947	66.4
109.02881	30.1
118.05022	2.2
118.06534	14.7
127.03921	100.0
131.03387	4.8
132.08099	25.3
133.10147	1.8
143.07269	1.8
144.08075	10.1
145.04942	11.1
146.04997	2.4
146.06023	32.2
169.04961	1.5
170.06078	2.3
184.07491	1.8
187.06006	7.9
188.07076	44.6
198.09164	2.6
199.08577	1.8
200.07072	2.1
202.08763	1.6
204.05046	5.8
214.08543	1.9
215.11751	2.0
229.09747	3.5
231.11371	2.1
233.10124	1.7
243.11337	4.1
244.09662	2.1
245.09172	3.6
249.48286	1.6
253.07027	3.2
257.09235	1.8
259.10751	2.7
271.08124	2.6
271.10727	10.9
272.09131	1.6
281.09241	1.8
287.10233	8.1
289.11954	9.9
299.10202	6.5
317.11264	20.5
335.12329	25.5
335.16003	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.3
53.71444	1.1
55.01880	1.7
57.03428	2.9
61.02921	3.3
61.90277	1.0
62.56774	1.3
65.19385	1.2
67.05496	2.4
69.03426	18.0
69.07054	2.3
69.52716	1.4
70.52357	3.5
70.52689	1.2
71.04996	6.3
76.44805	1.1
79.05508	1.3
81.02987	2.2
81.03426	29.6
81.07061	2.6
84.04517	1.4
85.02911	57.2
87.04462	2.1
89.02380	3.2
91.05482	1.6
97.02899	4.9
97.06509	2.0
99.04458	27.4
103.03948	58.4
104.61795	1.2
109.02878	25.3
113.06032	1.2
118.05045	1.8
118.06555	10.6
127.03927	100.0
127.07555	1.5
129.10146	1.4
130.06514	1.8
131.03389	1.6
132.08096	23.1
133.10135	26.7
136.07680	1.2
137.06026	2.9
139.03918	1.5
144.08075	9.3
145.04964	11.4
146.06032	27.3
155.07082	1.9
155.09038	1.2
170.06044	2.9
173.08157	2.1
173.12878	2.5
179.10696	1.6
187.06042	7.8
188.07071	33.8
198.09113	1.8
201.10268	1.7
204.05057	3.3
215.11832	1.8
226.08681	2.1
227.08095	1.6
229.09741	5.0
230.08214	1.5
233.10211	2.3
243.11322	3.5
244.14072	1.3
245.09203	5.2
253.07135	3.2
253.09564	1.7
257.09232	3.5
271.08246	1.6
271.10797	10.1
281.09116	1.9
287.10318	5.2
289.11804	9.0
299.10287	7.1
305.11334	1.7
317.11349	18.2
325.15067	1.2
335.12354	22.1
335.15994	1.8
336.91232	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03474	0.7
55.01871	1.1
55.96546	0.6
57.03429	0.7
63.94289	0.7
67.05500	0.9
69.03414	1.4
69.07056	1.1
70.76653	1.6
71.04986	0.7
72.04504	2.2
74.41267	0.7
79.05511	0.9
81.03410	1.8
81.07041	1.4
85.02912	2.8
87.00836	1.6
87.04430	1.0
88.07649	1.5
89.02391	6.8
91.05473	2.3
95.04945	0.8
97.02854	1.5
97.06480	1.0
97.66722	0.6
99.04416	1.1
100.03985	2.7
103.03946	0.8
105.07061	0.7
107.08599	1.3
109.02838	1.2
109.06518	1.1
113.02405	3.2
115.05486	2.6
117.05753	2.3
117.07011	2.9
118.05161	3.9
118.06545	29.9
122.06039	0.7
127.03932	3.0
130.06541	2.3
131.03398	9.1
132.08098	54.8
137.05940	2.6
142.06554	2.0
143.07317	3.0
144.08101	19.1
144.09230	1.2
146.06015	72.2
148.06042	0.8
155.07050	1.1
158.06078	0.9
158.09602	1.0
160.07491	0.9
167.07043	0.9
169.07559	0.9
170.05995	6.2
170.09689	0.8
175.08699	1.1
186.04039	1.5
188.07071	100.0
190.36201	0.7
198.09203	0.7
201.10228	1.1
204.05078	7.4
221.09195	1.1
226.08607	0.9
227.08083	1.3
229.09807	1.7
231.11241	3.9
243.11339	2.1
245.09279	2.6
249.12299	0.9
253.09686	0.9
257.09198	1.5
259.10843	0.9
271.10831	6.2
287.10220	3.9
289.11792	7.1
299.10266	3.1
317.11368	8.1
317.14862	1.4
318.29498	0.7
335.12350	24.0
335.15347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01833	7.7
55.02121	0.5
55.05472	0.6
67.05466	1.5
69.03389	1.3
69.07027	1.3
69.83724	2.3
70.06549	0.9
71.04983	0.9
73.02889	0.9
74.17083	0.5
79.05480	0.9
81.03397	0.9
81.07011	1.9
83.08572	0.5
85.02863	1.7
85.03308	0.4
85.06546	0.6
91.05456	0.9
93.06988	1.5
94.06536	0.4
95.04948	0.5
95.08569	1.9
97.02872	0.8
97.06497	1.3
97.28789	0.4
99.04386	0.4
102.68311	0.5
103.25700	0.5
105.07003	0.9
107.08533	0.7
108.04475	1.0
109.02848	0.6
109.06491	1.4
109.10112	0.9
110.06046	0.6
119.08543	0.5
122.06026	1.1
123.04346	0.6
124.07563	0.6
127.03960	0.9
129.06947	0.5
135.08061	1.0
137.05962	2.7
137.09589	1.1
139.03867	1.6
140.07076	0.9
146.05931	0.5
146.09601	0.5
150.05453	1.4
155.07069	0.9
155.10681	1.0
156.07974	0.6
158.09695	0.7
167.07059	2.9
168.06516	1.3
170.09593	0.5
172.07526	0.6
173.08130	1.6
173.10629	1.0
174.07806	0.5
174.09169	0.7
176.03387	0.6
176.07025	0.6
178.08632	3.1
183.09192	0.7
184.07578	1.7
186.07834	1.1
187.08600	1.0
188.07092	0.6
198.09142	1.5
199.08673	1.8
200.07104	1.4
200.09201	0.8
200.10823	1.2
201.06544	1.1
201.10248	5.6
202.08731	1.1
208.31300	0.5
211.08752	0.5
212.07014	1.1
213.10201	1.6
214.07224	1.2
215.08200	2.3
215.11795	1.5
216.08894	1.5
217.09862	2.2
217.11723	0.6
219.11331	0.8
225.10257	0.7
226.08621	1.6
227.08130	3.1
228.10379	4.0
229.06102	0.5
229.09758	7.1
230.10463	1.3
241.09673	0.5
243.07642	1.6
243.11288	7.5
244.08475	1.7
245.09189	3.9
247.10791	2.0
253.09694	1.6
254.08191	2.3
257.09229	14.8
258.09958	2.2
261.12018	0.6
265.11844	1.5
271.08096	0.9
271.10800	10.2
272.09164	1.4
277.08319	0.5
281.17606	0.6
282.07758	0.6
284.07767	0.6
287.10223	3.5
289.11823	6.8
299.10263	12.0
300.08759	0.8
302.08951	0.8
307.12961	3.2
317.11346	100.0
318.11810	0.9
335.12402	28.5
335.15842	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03967	1.1
55.05519	1.0
65.03942	2.7
67.05505	5.8
69.07071	100.0
69.73180	2.5
77.28831	0.7
79.05508	2.5
81.03416	1.9
81.05800	0.7
81.07063	8.3
82.03786	0.7
82.06625	0.9
83.04974	0.6
91.04243	0.8
91.05479	1.4
92.05020	2.4
93.07047	2.6
94.06559	3.6
95.04977	1.7
95.08613	2.6
97.06534	16.6
105.07037	2.0
107.08598	2.7
108.04464	0.8
109.02915	2.1
109.06549	1.4
109.10116	1.3
119.03713	1.3
119.08598	1.5
120.04476	0.7
121.05293	0.9
121.10181	2.0
122.06028	8.2
124.07626	1.7
125.05988	1.1
126.05489	1.1
129.07011	1.0
131.07314	1.2
131.08600	0.8
133.10139	1.2
134.09517	0.7
137.05986	3.1
138.05516	5.1
140.07065	7.3
141.07834	1.0
144.08105	2.0
145.08878	3.1
145.10152	2.4
146.09676	3.7
147.06807	1.2
148.03973	3.6
150.05511	84.7
152.03497	0.9
155.08575	1.3
157.08871	2.5
157.10088	0.9
158.09644	1.2
159.08104	0.9
159.10489	1.5
159.11745	1.0
160.07578	1.2
160.11206	1.4
161.08389	3.0
162.09180	2.9
163.05092	0.7
164.03484	2.0
165.09171	0.7
166.05014	25.9
168.06653	0.9
171.08054	0.7
172.07585	1.8
172.11194	5.1
173.08371	1.5
173.09676	1.2
174.09193	1.9
174.12770	5.8
175.14774	1.2
176.03445	8.9
178.05051	2.7
185.08310	2.3
185.13286	0.8
186.05751	0.6
186.07652	1.3
186.09198	1.1
188.10728	1.2
190.12286	4.6
192.02946	0.9
194.04507	3.0
198.07813	1.4
199.06233	0.7
200.07077	1.3
200.10770	6.4
202.12248	8.1
206.11882	0.7
213.10323	1.4
215.08279	0.8
215.11841	0.7
216.10263	4.0
218.08255	2.0
218.11769	30.0
226.08786	0.8
227.11743	0.7
228.10208	17.4
229.13394	1.8
231.17569	1.1
234.11298	4.5
234.13318	0.7
239.96992	0.7
243.11357	1.4
244.09752	3.1
245.12959	2.7
246.11275	27.0
255.11343	1.7
256.09680	1.6
257.08997	1.0
261.08713	1.5
261.12262	0.8
262.10715	0.9
269.09259	0.8
271.10776	5.2
272.09128	4.4
273.12381	4.0
273.22217	0.8
274.10764	3.0
281.22885	1.3
287.10254	7.6
289.11810	13.0
290.10303	2.1
291.13300	1.3
294.81198	0.7
299.10297	6.1
299.23743	1.7
309.01563	0.7
317.11349	34.2
317.21100	0.9
317.24750	1.5
318.09753	1.2
335.12378	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	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12301	0.6
52.39148	0.6
53.03921	0.6
55.01832	2.0
55.02077	0.7
55.05485	0.8
65.03941	0.6
65.50396	0.5
67.05482	1.5
69.03382	1.8
69.07036	1.1
69.57583	1.6
69.58011	2.2
70.06554	1.5
72.08125	1.2
79.05471	0.9
81.03384	0.6
81.07011	2.3
82.02912	0.6
82.06537	0.7
82.18230	0.5
84.04486	0.8
85.02873	1.3
86.09644	0.7
91.05424	1.5
92.04935	1.0
92.30746	0.6
93.07008	1.1
94.06527	1.5
95.04930	1.3
95.08551	1.6
96.04463	1.3
96.08058	0.6
97.02831	0.9
97.06490	0.9
99.04449	0.7
105.07021	0.6
107.08542	0.8
108.04445	1.7
109.02865	1.3
109.06504	1.2
110.06056	0.9
116.07033	0.6
117.06962	0.8
119.08525	0.8
120.04427	2.0
120.08044	0.7
122.06030	2.6
124.03911	1.2
124.07527	0.9
127.03854	0.6
127.07529	0.5
129.06929	1.1
129.09048	0.5
130.06464	0.8
132.07983	1.6
133.10181	0.6
136.03947	1.0
136.07591	3.7
136.11154	0.6
137.06021	2.6
138.05524	0.7
141.06905	0.8
142.07661	0.7
143.07225	0.7
143.08455	1.0
144.08084	3.0
146.05942	2.2
146.09619	0.8
147.06387	0.7
147.09206	0.8
148.03957	1.3
150.05502	1.2
152.07019	1.1
154.04964	1.6
154.06288	0.6
155.07121	2.0
155.08417	0.8
155.10545	0.9
156.08046	1.8
157.08839	1.1
158.06020	1.1
158.08371	0.7
158.09613	1.9
160.07541	2.2
161.07114	0.7
162.05557	1.1
163.05910	0.8
164.07021	2.8
167.07042	2.0
168.08066	0.6
169.08926	0.6
170.06035	0.7
170.09689	2.9
172.07573	5.7
172.09933	2.0
172.11191	1.9
173.08162	1.6
173.10674	2.2
174.07834	1.6
174.09117	3.6
175.08710	4.5
178.08499	0.7
180.07950	0.6
182.09621	0.7
183.06688	0.9
184.07578	7.3
185.06978	1.3
185.08400	0.9
186.07799	1.3
186.09126	6.0
187.08635	2.1
187.12325	5.6
188.07021	2.3
188.09380	1.7
188.10838	1.4
189.07425	2.1
189.10266	3.1
196.07588	1.0
197.08337	0.8
197.10680	1.6
198.09169	11.3
199.08687	5.3
200.07048	8.7
200.09370	4.3
200.10823	1.6
201.06586	0.7
201.10255	10.8
202.08644	1.2
211.08580	3.1
212.07002	2.5
213.06557	2.4
213.10233	2.3
214.02205	0.6
214.07187	2.2
214.08702	2.4
214.10881	1.0
215.08400	2.7
215.11789	16.7
216.08945	1.8
217.09756	5.6
217.13116	0.7
225.10243	3.9
226.08684	6.4
226.10704	1.0
227.08208	8.3
228.06540	2.1
228.08858	2.5
228.10437	1.9
228.20621	0.7
229.09747	25.0
230.10416	1.5
231.11250	1.0
233.08067	0.7
239.08142	1.9
241.09665	2.0
242.08249	0.8
242.10387	4.0
243.07426	1.1
243.11310	32.4
244.09442	0.7
245.09221	22.4
247.10854	0.9
253.09691	5.1
254.08102	2.6
256.08429	1.6
257.09262	13.2
258.10040	1.6
259.10782	5.9
260.09128	0.7
261.12338	1.5
271.10788	100.0
272.08997	1.4
273.12372	4.2
281.09250	7.9
287.10251	22.4
288.10965	0.9
289.11877	14.1
299.10281	31.4
300.08435	0.8
304.10712	0.9
305.11313	9.7
307.12921	1.4
317.11353	46.6
335.12405	24.3
335.15958	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
55.05510	2.6
57.03442	2.5
65.03928	4.0
67.05508	14.8
69.03416	3.5
69.07073	100.0
69.41557	11.4
70.06591	4.5
71.04991	3.3
72.08179	1.8
79.05482	4.7
81.03416	5.4
81.07052	13.1
81.78904	1.4
83.04951	1.6
83.08618	3.1
83.65171	1.4
84.08138	3.8
85.02913	7.2
86.09708	7.6
86.67733	1.4
87.04472	3.1
91.05485	3.4
92.05009	2.6
93.07043	6.4
94.06576	4.8
95.04956	3.2
95.08622	5.1
97.02924	1.3
97.06542	18.3
99.04491	1.6
99.08082	2.7
103.05417	1.8
105.07045	3.2
106.37168	1.2
107.08607	3.7
108.04461	2.5
109.02919	3.6
109.06508	2.1
109.10167	37.6
110.31503	1.3
111.08062	1.9
116.00244	1.5
118.06573	3.7
119.04958	1.4
119.08562	3.3
121.10110	2.2
122.06046	11.0
124.07588	2.4
127.03925	3.5
127.11205	11.2
129.07039	1.5
130.06535	4.1
131.08548	3.1
132.08105	1.9
133.10155	2.4
134.06038	2.6
136.07587	2.3
137.06009	2.6
137.09630	7.3
138.05502	4.3
140.07060	8.1
144.08139	3.5
145.10170	2.4
146.06009	9.3
146.09663	2.6
148.03958	3.5
150.05518	89.1
153.05467	1.6
155.10689	11.2
157.08838	2.0
157.10095	2.1
159.07921	1.5
159.09219	7.3
159.11862	1.7
161.08311	3.6
161.12962	2.1
166.03740	2.1
166.05032	26.6
166.08694	2.0
168.06593	2.4
170.05974	1.9
172.07674	1.5
172.11246	1.9
173.11835	7.4
174.09196	2.0
174.12787	4.6
174.29189	1.7
176.03404	8.1
178.05019	2.5
180.69659	1.8
186.09238	1.9
188.07091	15.7
188.10603	2.0
190.12259	3.8
194.04486	5.0
198.07817	1.9
200.10774	4.6
202.12267	5.3
205.09802	3.5
206.11665	2.2
213.10260	1.9
215.11905	1.8
216.10208	3.4
217.46834	1.5
218.11798	13.2
225.10286	1.9
228.10248	9.0
229.09766	2.3
229.13394	2.1
237.16640	1.6
243.11287	3.5
246.11247	12.7
250.89221	1.4
253.09784	1.8
255.11287	2.2
257.09198	2.0
269.09146	1.9
271.07224	1.6
271.10809	8.2
272.09052	3.5
273.12396	2.3
273.18811	7.7
274.10745	2.8
287.07245	3.3
287.10275	33.9
289.11865	10.1
299.10510	6.9
299.14587	4.9
308.68524	1.5
317.11343	35.8
317.14734	2.2
317.21439	3.4
335.09406	1.4
335.12354	15.8
335.15945	4.4
335.22226	4.2
339.90619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01877	1.9
55.05503	2.2
56.96567	18.0
57.03433	3.4
57.32236	1.0
61.02916	4.1
68.65956	1.0
69.03132	1.0
69.03437	11.3
69.70233	2.3
69.70621	2.6
70.03783	1.0
70.98119	5.4
71.04992	2.1
73.02911	4.1
73.06538	1.7
79.27541	1.0
81.03414	5.7
82.06555	1.3
82.99815	5.4
84.96020	3.3
85.02424	1.8
85.02904	25.6
86.03252	1.7
87.04468	2.9
91.03940	2.6
91.05466	1.6
95.04915	1.0
97.01410	1.0
97.02894	12.1
98.20838	1.9
98.21389	1.9
98.97591	36.8
99.04448	2.6
99.97955	0.9
101.00888	27.6
103.02403	1.4
105.03378	1.4
108.08108	3.9
109.02851	3.3
109.08454	3.7
110.97597	8.4
111.04423	1.5
112.99097	3.0
113.00890	9.9
113.04519	1.4
115.02448	5.7
116.98615	9.7
119.01924	22.3
119.04933	2.7
120.08099	3.2
123.05602	1.0
124.99153	1.2
125.00841	1.5
127.02432	2.8
127.03931	8.8
128.98607	6.4
129.02115	1.0
129.03973	1.9
131.00209	1.2
131.01923	15.5
131.05560	9.6
133.03473	2.1
134.99673	1.6
135.06454	1.3
137.00822	2.8
137.05986	4.7
137.07878	1.0
138.01640	1.1
138.05423	1.4
138.06396	1.4
143.00116	3.2
143.01907	100.0
144.98032	1.5
145.01704	2.5
145.03474	6.5
145.04939	3.1
146.06012	1.4
146.99635	4.1
147.01439	1.1
147.04263	6.0
148.04761	1.6
149.06645	6.4
152.07027	2.0
152.98602	1.6
153.07410	3.1
154.96504	3.0
155.01900	28.1
155.04585	3.4
155.05658	6.3
155.54843	3.1
156.02589	1.1
157.03474	3.9
158.99684	11.7
159.05072	5.9
160.00066	1.0
161.02966	75.0
162.03052	1.1
164.05193	2.0
164.55377	1.7
167.05542	3.0
167.06964	1.0
169.07085	1.7
170.99652	2.5
171.05067	1.2
172.05656	1.0
172.97617	7.2
173.01485	1.2
173.02953	16.9
173.05061	1.6
173.06621	27.7
175.04541	2.0
177.00688	5.7
177.06073	2.7
183.62877	1.0
184.04544	2.2
185.01300	1.0
185.02988	2.8
185.04938	2.3
185.06599	34.4
187.04498	2.2
187.08119	4.4
189.00685	1.6
190.98599	5.8
191.02293	1.4
191.04005	1.8
191.05913	2.0
191.07684	6.1
197.01180	1.6
197.02902	1.2
197.06688	1.9
199.08333	2.3
201.00746	2.6
201.06194	1.4
203.03967	10.9
203.07669	13.2
205.00116	2.7
205.03822	1.3
209.06679	2.2
214.98714	1.8
215.05891	1.5
215.07663	13.1
218.98245	2.2
219.01727	10.3
221.05060	18.5
223.01224	2.3
227.07408	3.4
227.57063	4.9
232.99641	6.6
233.08708	2.8
237.02802	8.7
239.02309	1.5
244.07761	1.5
244.57996	5.8
245.04991	4.1
245.07051	7.6
246.05753	2.3
251.00703	3.2
254.05589	2.9
257.08728	6.8
261.02823	1.3
275.00900	4.8
275.04498	1.9
275.09827	39.2
280.11639	1.2
280.57309	1.6
291.07526	2.0
292.07855	1.2
293.01813	3.6
293.10818	98.7
294.10773	1.4
307.07162	1.1
309.08545	4.4
310.09064	3.3
310.60135	4.8
311.10126	2.6
317.13055	2.9
325.60608	7.9
326.10571	2.8
327.03653	1.1
334.60977	2.9
335.11774	91.2
336.11859	1.1
353.11166	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	335.0741
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
51.20960	2.8
56.96558	11.9
61.02910	3.6
61.73851	3.1
62.89827	2.9
64.90477	3.1
67.95953	4.1
68.46740	3.1
69.03422	5.1
69.72396	20.0
69.72743	4.7
70.59892	3.4
71.18274	3.8
75.19582	3.1
77.46461	2.9
85.02891	7.1
88.99201	3.6
97.02895	8.0
98.96939	4.1
98.97581	68.3
101.00919	3.3
108.08189	4.6
109.08436	6.3
110.97577	35.2
112.99126	25.3
116.98595	9.6
128.98605	25.0
131.00169	9.0
131.01859	3.9
139.94144	3.3
140.98540	4.4
143.00194	7.3
145.03458	3.8
146.99670	7.3
147.91000	3.4
153.07401	5.0
155.00027	3.4
155.02005	3.7
158.99646	11.0
170.99660	8.9
173.06619	4.6
185.06693	4.6
189.00717	6.7
201.00723	12.4
209.01143	4.3
219.01764	79.3
220.86487	3.1
237.02852	55.2
245.06924	4.0
275.04370	32.5
275.09583	4.5
291.04352	3.3
293.05472	67.2
293.10706	6.6
305.05093	3.2
335.07245	100.0
335.13898	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	335.0738
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
56.21869	3.4
58.52705	3.7
70.05296	8.1
70.05691	5.8
93.30682	2.9
102.61110	3.2
295.75513	3.1
335.07419	100.0
335.11334	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	335.0762
Annotation	5,5'-Dehydrodivanillate
Peak:m/z	Relative Intensity
53.03941	1.1
55.01862	2.2
55.05502	1.1
57.03419	1.7
57.07071	0.9
61.02911	2.2
67.05502	1.9
69.03425	5.9
69.07058	1.4
69.32627	6.5
70.06583	1.0
71.01334	1.2
71.04985	1.9
73.02905	1.3
74.06071	0.8
79.05492	1.4
81.03427	6.4
81.07045	1.8
83.01376	0.8
85.02904	13.6
85.06546	1.3
87.04440	0.8
91.05447	1.1
93.07070	1.3
95.04923	0.9
95.08614	0.9
97.02899	3.9
97.06548	1.1
98.21237	3.4
99.04450	7.2
99.05554	1.1
101.02376	1.8
103.03940	11.6
103.05450	2.0
104.23840	0.7
105.07044	1.9
107.08586	4.9
109.02895	6.3
109.06488	1.6
110.06047	1.0
113.05975	0.9
115.05440	4.6
117.03398	1.2
117.06994	0.9
119.08554	2.2
126.09108	1.0
127.03924	22.5
127.07548	1.2
128.06244	1.3
129.03394	1.1
131.04910	4.6
131.08533	0.9
132.08055	0.9
133.06447	1.2
133.10130	8.0
135.04395	4.7
136.03885	0.8
136.66714	0.8
137.05968	3.8
138.05400	1.0
140.29549	0.7
141.03322	1.6
141.06998	0.9
143.04924	8.3
145.02827	1.5
145.04980	2.4
145.06451	1.1
146.03630	10.1
146.06018	1.4
147.04420	1.4
149.05988	2.0
150.05440	0.9
151.03925	1.1
153.05519	1.3
155.04970	1.2
155.07040	1.9
157.02885	1.1
157.06470	1.3
158.97467	1.0
159.04413	2.9
160.05258	4.4
161.02325	1.4
161.04633	1.2
161.05991	18.2
162.03198	1.0
162.05495	2.1
163.03885	6.6
163.05815	2.8
163.07562	1.4
171.04401	4.4
172.09660	1.1
173.06020	2.7
173.10168	1.1
174.03149	1.6
175.07483	4.1
176.04712	1.7
177.05461	12.3
177.09038	1.3
184.05215	2.2
184.07648	1.2
185.05980	1.3
186.03142	3.1
186.09171	1.1
187.03928	3.2
187.05960	2.0
187.07491	1.5
188.04652	1.1
188.07071	3.2
189.01924	1.3
189.05473	8.1
190.06320	1.5
191.03372	4.2
191.05452	0.8
191.07008	5.6
193.04930	1.9
197.02344	1.1
198.09212	1.9
199.04039	0.8
199.07320	0.9
200.04694	1.9
201.05380	9.4
201.10257	1.1
202.02599	11.5
202.06207	3.6
203.03307	2.8
203.07043	20.3
205.04951	5.5
212.04663	3.0
213.05449	1.9
214.02588	3.1
215.03484	2.2
215.06972	3.8
215.11659	1.0
216.04233	1.0
217.04964	100.0
219.03049	0.9
219.06496	8.8
221.04364	1.2
225.05486	0.9
225.10226	1.0
226.08696	1.2
227.06934	10.3
228.04230	1.2
229.04955	39.9
229.09682	2.3
230.05724	1.6
230.08134	1.6
231.06651	4.0
232.09937	1.1
233.04370	3.0
233.08171	1.0
234.99034	1.1
235.06046	4.2
236.99049	0.9
239.08087	1.0
240.08926	1.8
242.10616	1.1
243.06438	5.0
243.11311	2.1
245.04419	11.1
245.08156	3.0
246.05287	1.2
247.06004	13.4
253.09576	1.0
255.06540	1.1
257.04398	5.1
257.09097	1.9
258.04993	1.2
258.10123	1.1
261.04004	1.8
261.12204	1.1
263.05450	1.2
271.06021	6.6
271.10733	4.1
272.09161	2.0
273.07678	5.5
275.05515	44.6
276.99826	0.9
287.10141	2.3
289.07065	19.4
289.11829	9.9
289.14841	1.4
293.06488	7.4
299.05518	2.0
299.10007	3.4
317.06528	10.2
317.11267	17.5
335.07581	11.0
335.12283	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	334.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
55.05527	1.8
63.85570	0.3
64.00101	0.4
64.61322	0.3
67.05514	4.0
69.03406	1.4
69.07044	1.7
69.07622	0.4
69.34007	1.7
69.34444	1.4
79.05491	3.6
81.07061	16.4
81.56215	0.3
83.04960	0.5
83.08228	0.4
83.08622	4.7
85.06510	0.8
86.81939	0.3
91.05489	4.1
91.45697	0.4
93.07051	7.0
95.04995	2.3
95.08608	11.0
97.06504	1.2
97.10125	1.2
105.07030	10.0
107.07887	0.4
107.08604	10.2
109.06518	22.0
109.10162	7.5
111.08072	1.6
111.11687	1.1
117.07009	1.3
119.08585	5.5
121.10147	7.1
123.08113	2.6
123.11663	1.6
131.08588	4.0
133.10132	5.8
135.08052	2.6
135.11705	8.2
137.09604	1.4
137.13248	0.6
143.08542	1.3
145.10127	5.2
147.11693	6.8
149.09589	0.8
149.13260	3.4
151.11119	0.4
157.10103	1.7
159.11697	5.0
161.09636	0.5
161.13264	4.6
163.11177	2.3
163.14839	3.4
164.70755	0.4
165.12720	0.8
171.11656	1.4
173.13289	4.2
175.14886	1.8
177.12695	1.2
177.16403	2.4
179.14273	1.0
185.13254	2.0
187.14850	2.4
189.12697	0.9
189.16383	4.5
191.14330	1.5
193.41331	0.5
199.14871	2.3
201.16382	1.7
203.17853	0.8
205.15866	0.7
211.08664	0.4
211.14795	1.0
213.16406	1.2
215.17982	8.8
217.15871	1.7
219.17540	0.7
225.16379	1.0
227.17949	3.4
231.17436	0.6
233.19023	1.0
243.17389	0.5
255.21136	4.1
257.22598	0.9
271.24289	0.6
273.22137	100.0
274.22580	0.5
281.22647	10.1
297.12311	0.4
298.22247	0.5
299.23715	22.3
317.24954	0.5
334.27426	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.05492	2.7
60.25735	0.6
67.05499	4.6
69.03401	2.4
69.07052	2.6
70.72108	1.6
75.35902	0.8
79.05487	3.5
81.03422	3.0
81.07060	17.1
83.04964	0.7
83.08619	6.0
91.05479	5.2
93.07037	7.9
95.04949	3.0
95.08613	10.5
96.51556	0.5
97.06503	1.3
97.10143	1.6
105.07038	11.2
107.08606	9.0
109.02831	1.1
109.06517	21.1
109.10156	7.5
111.08047	2.3
111.11694	2.7
117.07011	1.3
119.08577	8.3
121.06490	0.9
121.10154	8.5
123.08045	2.2
123.11700	1.8
131.08545	3.6
131.31259	0.6
133.10155	6.5
135.08044	2.6
135.11696	9.0
137.09645	1.7
137.13264	1.2
143.08546	1.2
145.10126	6.1
147.11711	5.3
149.09628	0.9
149.13274	3.4
151.11214	0.8
157.10147	1.8
159.11685	5.0
161.13242	4.6
163.11162	2.2
163.14789	2.6
165.12654	0.7
168.73889	0.7
171.11699	1.9
173.13252	4.2
175.11195	0.9
175.14772	1.4
175.68562	0.6
177.12791	0.9
177.16409	2.3
179.14258	1.1
185.13243	1.9
187.14815	1.8
189.12679	1.0
189.16330	5.1
191.14331	1.6
193.12239	2.1
199.14786	3.3
201.16342	1.3
203.14319	0.9
203.17953	1.0
205.15939	1.5
213.16429	1.5
215.17963	12.9
217.15889	1.5
227.17859	3.3
255.21077	4.7
257.22699	1.6
267.15955	0.9
271.24155	1.1
273.22134	100.0
281.22650	10.3
285.16901	1.7
299.23697	27.1
334.27417	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.2
55.05498	4.0
57.07071	4.2
67.05504	11.2
69.07058	6.5
71.08633	9.6
71.55431	2.3
72.04519	66.7
79.05478	4.9
81.07054	14.7
88.07626	2.5
91.05472	5.9
93.07043	14.3
95.04964	13.7
95.08615	18.0
97.06514	4.6
98.98476	1.6
99.08090	5.7
105.07018	8.1
107.04914	1.8
107.08600	10.6
109.06526	22.6
109.10162	4.4
110.91697	1.6
114.09170	19.3
117.07011	2.1
119.08598	7.7
121.06483	2.9
121.10139	4.1
123.08035	1.9
127.25101	1.5
128.10719	5.3
131.08566	6.1
133.06436	1.6
133.10115	8.6
135.08040	3.1
135.11751	2.3
142.12288	3.6
145.10075	3.2
147.11659	3.0
149.13240	3.7
161.13315	1.9
163.14804	1.9
165.12761	100.0
171.11714	1.7
173.13286	6.7
175.11194	3.7
180.13832	3.8
182.15414	12.8
184.13390	1.9
191.14294	7.6
194.15425	3.2
196.12251	1.7
201.12770	4.0
210.14723	1.6
212.16476	7.4
214.12831	1.7
220.16959	15.1
229.19543	4.6
236.20120	42.5
271.20520	5.8
289.21512	9.2
291.23132	1.9
316.23248	2.3
316.26392	7.2
334.23355	2.9
334.27396	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	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01866	1.2
55.05510	6.5
56.05028	0.9
57.03425	2.1
61.02922	3.1
67.05514	0.9
67.85057	0.7
69.03119	0.8
69.03427	7.3
69.07067	1.0
70.06589	1.7
71.04985	3.3
71.06235	1.8
73.02887	1.0
74.06060	0.7
79.05492	1.9
81.03425	4.1
81.07055	14.0
83.04988	1.2
83.08619	5.3
84.04481	2.6
84.08149	1.2
85.01129	1.2
85.02425	1.2
85.02911	17.8
85.06532	2.3
86.06033	0.9
86.09686	1.2
87.04469	1.1
88.03984	0.8
91.05482	1.3
93.07043	0.7
95.08572	0.7
97.02899	5.5
97.06542	1.2
98.06029	1.4
98.09696	2.8
98.21154	0.9
98.97567	0.8
99.04424	2.1
99.08086	1.4
102.03805	1.6
103.03936	2.7
108.08106	3.1
109.02869	2.7
109.06522	13.8
110.06083	0.9
111.08106	0.9
112.07568	1.3
120.08065	1.0
124.07603	2.1
126.05494	0.7
126.09158	46.6
127.03912	7.3
127.07560	16.1
130.08644	2.1
132.08189	0.9
133.10056	3.8
136.07568	1.8
137.05978	5.0
138.09209	1.0
144.08092	1.0
145.04959	2.6
146.06033	1.0
147.98807	0.7
154.08636	60.9
155.07037	29.3
162.05472	1.2
172.09692	100.0
184.13322	0.8
188.07053	2.1
190.04977	0.9
205.06328	0.9
240.14833	0.8
287.10260	1.1
298.16617	1.7
316.10065	1.0
316.13873	1.6
316.17532	1.5
317.11148	1.2
334.14749	2.4
334.18735	2.1
335.12146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
57.03437	2.0
57.37016	0.7
61.02924	3.5
69.03428	6.6
69.72833	3.9
73.02917	1.4
81.03407	2.7
83.47958	0.8
83.53288	0.8
85.02910	26.4
87.04460	1.4
91.03968	1.5
91.05480	9.2
95.60321	0.7
97.02901	8.2
98.20722	1.2
98.97581	0.7
98.98473	0.8
105.03362	1.7
109.02895	1.6
109.06525	1.1
119.04936	8.1
127.03930	4.8
137.05984	100.0
145.04985	8.0
146.95557	0.7
149.06114	0.9
154.08618	1.5
155.07028	11.0
159.09259	0.9
162.05461	1.4
163.05991	1.1
172.09720	2.1
179.06998	1.8
180.08681	5.7
203.06898	1.3
221.08026	0.9
263.09158	1.0
264.22659	0.7
279.40598	0.7
281.10419	1.3
317.11545	1.0
334.14420	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2424
Annotation	Oxymetholone
Peak:m/z	Relative Intensity
53.03955	2.9
53.18565	1.7
53.83470	2.0
55.05510	7.9
56.96579	5.4
57.03441	3.9
67.05507	14.0
69.03438	7.4
69.07074	9.0
70.98129	2.5
71.05009	2.5
79.05499	15.3
81.03432	3.0
81.07056	21.8
83.04987	4.7
87.04468	36.6
91.05479	22.8
93.07043	31.1
95.04984	3.7
95.08615	19.2
98.24231	1.9
98.98475	12.0
105.07036	29.7
107.08599	21.1
109.06506	2.0
109.10161	19.8
111.08083	7.5
111.11762	3.2
117.07017	10.7
119.08594	25.3
121.10153	33.3
123.11720	14.0
129.07007	6.6
131.08578	24.7
133.10130	22.9
135.11691	13.5
141.06987	2.8
143.08539	10.7
145.10129	32.3
147.11685	19.5
149.13251	6.5
155.08594	4.9
156.09381	2.3
157.10146	14.7
159.11708	20.6
161.09595	2.6
161.13219	9.2
167.08481	2.6
168.09288	2.0
169.10153	6.0
171.11743	10.3
173.09691	3.0
173.13284	18.0
175.14774	10.0
181.09984	2.2
183.11723	8.8
185.13249	10.5
187.14842	9.9
193.05075	2.4
195.11557	2.6
197.13242	3.5
199.14815	10.5
201.12907	2.6
201.16354	10.5
203.14388	2.0
209.13275	7.2
211.14899	5.3
213.12744	3.3
213.16376	7.4
215.14508	1.9
215.17967	54.3
215.19930	3.8
221.13327	1.8
223.14838	5.9
225.16504	4.0
227.14299	2.2
227.18001	7.3
229.10294	2.5
229.15860	3.4
233.08411	5.5
239.18088	2.3
241.19691	2.1
242.08846	8.2
247.17015	7.2
253.19429	5.1
253.59586	4.7
259.14899	2.8
269.22659	37.2
279.21112	12.8
287.23730	10.8
297.22137	46.5
315.23215	100.0
315.78790	2.3
333.14960	2.8
333.18338	6.0
333.20462	4.2
333.24139	52.3
334.29590	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	333.2423
Annotation	CHEBI:68863
Peak:m/z	Relative Intensity
51.46344	0.5
53.03938	2.2
55.01856	0.7
55.05502	1.7
65.03931	0.6
67.05504	3.0
69.03438	0.6
69.07059	1.4
79.05489	3.3
81.07064	4.8
83.08601	0.7
85.06542	1.2
91.05480	10.7
93.07043	11.1
95.04958	1.6
95.08612	8.3
97.06481	0.6
97.10146	0.5
98.98428	1.6
105.04493	0.7
105.07027	7.3
107.08595	6.1
109.06498	1.0
109.10131	2.2
111.08086	8.3
113.09643	2.6
117.07008	1.5
119.08580	5.8
121.06538	0.7
121.10150	5.0
123.08038	1.4
123.11674	0.8
127.07594	1.0
129.07030	1.1
131.08571	4.4
132.10223	0.5
133.10138	4.4
135.08070	0.6
135.11679	3.3
137.09608	1.6
143.08583	2.7
144.09430	0.5
145.10130	4.6
147.08052	0.5
147.11673	4.5
149.13271	1.5
151.11191	1.0
155.08575	0.8
157.10153	2.5
158.10855	0.5
159.11710	4.4
161.13222	3.0
163.11223	0.8
163.14821	0.7
169.10182	0.5
171.11702	1.8
173.13254	3.9
175.11214	0.8
175.14789	1.3
177.12721	0.6
179.10701	0.5
183.11697	1.0
185.13258	3.0
187.14833	6.2
189.12744	0.6
191.14262	0.8
195.11674	1.4
197.13300	0.6
199.14897	0.7
201.12744	0.5
203.14337	1.6
209.13310	0.6
213.16400	1.5
221.15187	0.5
223.14795	0.7
241.19432	0.5
255.21080	1.5
279.21109	2.8
297.22107	3.4
315.23245	3.8
333.24231	100.0
334.24686	0.8
334.29547	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	333.2423
Annotation	16-alpha-Hydroxypregnenolone
Peak:m/z	Relative Intensity
53.03939	3.8
55.01851	2.9
55.05500	8.0
67.05501	16.3
69.03403	3.6
69.07062	9.6
71.00190	2.8
71.00520	4.6
79.05505	16.3
81.03412	4.7
81.07067	26.6
83.04977	10.4
83.08617	4.7
91.05476	23.2
93.07045	31.3
95.04970	7.2
95.08613	34.7
97.06527	7.1
98.98470	19.9
100.98890	2.3
101.86195	2.4
105.07038	32.9
107.04948	2.8
107.08601	37.5
109.02876	8.5
109.06510	8.8
109.10164	13.5
111.08093	10.5
117.07030	11.4
119.08598	36.0
121.06499	4.1
121.10154	25.7
123.08083	25.1
123.11713	5.8
125.06009	2.9
125.09643	3.2
127.03925	5.0
129.07036	6.3
131.08585	23.4
133.10136	29.8
135.08061	24.7
135.11734	11.8
136.06151	2.5
137.05992	8.3
137.09598	7.9
137.13232	2.8
142.07800	2.9
143.08588	12.4
144.09314	2.7
145.10139	26.5
147.08061	3.7
147.11707	20.7
149.09656	13.0
149.13290	13.7
151.11183	5.9
155.08536	8.9
157.10114	16.0
159.11702	20.6
161.09656	8.1
161.13290	13.6
163.11176	6.9
163.14909	3.4
165.12836	3.2
167.07082	6.3
169.10172	6.0
171.10478	2.4
171.11696	15.4
173.09579	4.2
173.13272	14.7
175.11214	6.2
175.14810	8.1
177.12720	5.8
179.14302	2.5
181.10127	4.6
183.11688	9.6
185.13400	13.2
187.11235	2.7
187.14868	11.3
189.12790	4.0
191.14297	7.3
193.10170	2.7
195.11678	4.7
197.13205	5.0
199.06819	2.2
199.14819	10.6
203.14333	5.0
205.15910	10.4
207.11884	2.7
209.13255	7.2
211.14864	5.6
213.16405	18.0
217.15872	2.3
223.14853	5.5
225.16397	6.7
231.17461	10.8
235.14969	2.3
239.17914	4.8
243.17368	5.3
249.18571	4.8
255.17809	2.2
255.21088	3.2
257.19205	2.9
269.19095	3.5
269.22534	4.6
274.22568	2.8
279.21072	19.3
289.21536	2.9
297.22141	100.0
298.22055	3.4
315.23184	74.4
333.14801	4.6
333.18301	20.9
333.24237	56.9
333.28192	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2424
Annotation	11alpha,17beta-Dihydroxy-2alpha,17-dimethylandrost-4-en-3-one
Peak:m/z	Relative Intensity
55.05503	3.7
63.63174	2.0
67.05502	6.0
69.03442	3.4
69.07066	3.7
70.02163	5.8
70.02573	4.0
79.05513	3.6
81.07071	11.9
83.04967	3.0
91.05511	3.6
93.07035	12.3
95.08607	15.8
97.06554	5.2
105.07049	11.6
107.08604	10.9
109.06504	3.3
109.10166	5.6
111.08089	12.8
117.07027	3.6
119.08572	12.0
121.10143	12.2
123.08078	43.3
123.11682	2.3
129.06993	2.3
131.08594	4.4
133.10144	18.2
135.08067	28.0
135.11694	4.6
137.09712	3.4
143.08508	3.0
145.10168	9.7
147.11693	7.8
149.09656	5.7
157.10156	2.8
159.11737	7.2
161.13225	5.9
169.10095	5.9
171.11690	4.8
173.13297	7.5
175.11136	2.6
175.14771	3.5
177.12823	2.9
179.14314	2.4
185.13269	7.6
187.14778	10.7
189.12840	2.7
197.13217	4.0
199.14856	2.8
203.14352	5.6
205.15883	13.5
213.16454	2.9
215.14459	3.1
225.16345	3.2
231.17471	7.6
243.17520	9.9
245.18956	2.8
253.19710	2.7
255.21025	5.5
257.18875	3.8
269.22577	3.5
279.21033	9.3
297.22119	64.3
315.23209	100.0
333.24338	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	333.2422
Annotation	CHEBI:68863
Peak:m/z	Relative Intensity
51.15190	0.3
51.75242	0.3
53.03945	2.1
55.01888	0.4
55.05523	2.0
56.96565	0.8
59.06146	0.4
67.05505	2.1
69.03426	0.7
69.07085	0.8
71.55628	0.4
75.05589	0.8
77.03928	0.6
79.05492	1.7
81.07053	3.9
83.04986	0.9
85.06536	0.9
88.03989	1.6
88.07589	0.7
89.07176	0.4
91.05485	9.5
93.07049	9.6
95.04971	2.0
95.08611	5.1
97.06522	0.7
97.10136	0.7
98.98473	2.4
103.08688	1.0
105.04502	1.0
105.07050	5.0
107.04966	0.5
107.08598	3.7
109.06505	1.0
109.10172	1.5
111.07362	0.7
111.08083	8.7
112.59559	0.4
113.09653	2.6
117.07059	2.0
119.08589	4.8
121.06433	0.7
121.10159	3.1
123.08099	1.7
123.11702	0.7
125.09692	0.5
129.07005	1.1
131.08580	3.5
133.10146	3.7
135.08058	0.6
135.11699	2.5
137.09613	1.8
142.07799	0.6
143.08574	2.8
145.10132	3.7
147.08131	0.7
147.11667	2.4
149.09576	0.7
149.13243	0.7
153.07001	0.4
155.08562	0.9
156.09430	0.4
157.10130	2.5
158.10849	0.7
159.11710	3.9
161.09654	0.9
161.13231	1.7
165.12440	0.9
167.08609	0.7
169.10126	1.3
171.11644	2.2
173.13260	2.3
174.13933	0.4
175.14809	1.3
177.12669	0.5
181.10136	0.8
183.11736	1.8
185.13240	3.1
186.14023	0.4
187.14796	3.7
189.12857	0.5
195.11702	1.4
197.13258	1.7
199.14877	1.2
201.16484	0.4
203.14278	1.9
209.13225	0.7
211.14844	1.2
213.12720	0.6
213.16406	1.1
222.10878	0.4
223.14842	1.2
225.16396	1.3
227.17868	0.6
231.17552	0.5
237.16383	0.7
239.17926	1.6
243.17383	0.8
279.21045	1.9
297.22144	2.5
315.23294	0.8
333.24252	100.0
333.30957	3.3
334.24496	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62831	2.1
53.03926	2.1
53.78574	1.9
55.05502	5.3
56.96555	4.6
57.91528	2.3
67.05500	8.1
69.03432	2.6
69.07079	2.3
77.48375	2.1
79.05494	7.5
81.07059	27.4
81.77365	2.2
83.04977	3.9
91.05490	19.2
93.07045	13.9
95.04985	4.7
95.08606	10.8
97.06541	3.6
98.97588	9.0
98.98453	12.3
105.07033	29.3
107.08604	11.3
109.10165	4.3
117.06995	10.1
119.08595	13.1
121.10139	9.1
123.08106	2.5
128.06282	2.4
129.07037	6.0
131.08569	19.5
133.10127	100.0
135.08043	4.8
135.11700	7.3
137.09727	2.8
143.08595	9.5
145.10112	13.1
147.11697	6.4
149.13274	4.6
151.11208	4.5
155.08563	5.1
156.09390	2.7
157.10136	11.3
159.08044	2.9
159.11671	15.9
161.09695	2.6
161.13229	4.5
163.11211	10.1
169.10191	3.4
171.11696	6.9
173.13277	2.6
177.12759	4.4
181.10146	2.7
183.11740	5.2
184.14050	2.1
185.13246	7.2
187.11163	2.2
187.14763	3.0
195.11644	3.2
199.14935	2.7
203.18179	2.2
213.12589	4.3
213.16275	10.4
225.16330	6.0
225.99609	2.2
231.17439	4.4
232.09317	2.4
279.21118	7.6
297.22119	46.9
315.23273	4.7
333.18100	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2424
Annotation	CHEBI:68863
Peak:m/z	Relative Intensity
53.03953	2.8
54.26007	0.5
55.05501	2.0
67.05505	2.7
67.68819	0.5
69.07066	2.2
69.43010	0.6
77.03958	0.7
79.05495	2.5
81.07068	4.0
83.08622	0.9
91.05489	11.8
93.07063	11.1
93.84149	0.6
95.04974	3.3
95.08622	5.3
97.10201	1.0
98.20765	1.2
98.98478	3.1
99.08057	0.6
102.89240	0.6
105.04530	0.9
105.07035	5.2
107.08588	4.7
109.10133	1.4
111.08090	13.6
113.09639	2.6
117.07020	1.2
119.08569	4.6
121.06607	0.7
121.10142	3.7
123.08092	2.4
129.07037	1.1
131.08604	3.3
133.10136	3.5
135.08070	1.8
135.11722	2.3
137.09663	1.5
143.08571	3.4
145.10150	5.2
147.08064	0.9
147.11763	2.8
149.09639	1.6
149.13306	0.7
155.08635	0.6
157.10190	2.8
159.11720	3.6
161.09637	1.3
161.13263	2.1
163.11180	0.8
169.10135	1.4
171.11696	2.5
173.09634	0.7
173.13301	2.8
175.11256	0.8
175.14851	1.7
181.09970	1.1
183.11711	1.7
185.13274	4.5
186.13995	0.6
187.14842	4.4
195.11636	1.5
197.13301	1.5
199.14848	1.1
203.14345	2.7
205.15833	0.9
209.13344	0.8
213.16409	1.6
223.14937	0.7
225.16406	1.6
231.17459	1.0
237.16344	0.8
239.18011	1.6
243.17546	0.7
279.21191	2.8
280.49420	0.6
297.22156	5.7
315.23279	3.3
323.36038	0.6
333.24268	100.0
334.24615	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
64.52053	0.7
67.05506	1.2
70.99151	1.1
78.02354	0.6
79.05473	1.4
81.03400	1.1
81.07039	1.7
81.18143	0.6
85.06557	0.6
91.05476	2.0
92.40644	0.6
93.07045	1.8
95.08625	1.4
98.91082	0.7
98.98465	5.2
105.07024	2.7
107.08571	1.6
109.10180	0.7
118.83800	0.6
119.08581	2.6
121.10133	1.4
123.08083	1.6
127.00930	0.7
131.08540	1.0
133.10132	2.1
135.08069	1.9
138.55164	0.6
145.10115	1.3
147.11757	0.8
157.10153	0.8
159.11703	1.3
169.10101	0.8
171.11665	0.8
173.13330	1.0
175.11250	0.7
183.11705	0.7
185.13268	1.0
205.77641	0.6
235.13016	0.8
251.12448	0.9
297.22153	2.7
315.23288	3.5
333.20380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
62.48824	0.5
66.08433	0.5
67.22127	0.5
69.07095	0.6
71.55712	0.8
79.05473	1.6
81.07066	1.7
83.04973	0.5
85.06525	0.6
91.05496	1.5
93.07039	1.2
95.08613	1.5
98.98474	5.4
105.07038	1.8
107.08605	1.4
109.06528	1.0
119.08568	1.4
121.10144	1.1
123.08082	1.7
125.47598	0.6
131.08528	0.9
133.10130	1.6
135.08105	1.2
143.08528	0.9
145.10083	0.9
147.08034	0.7
147.11635	0.8
157.10158	1.0
159.11711	0.8
173.13339	1.3
176.98914	1.2
185.13252	1.1
187.14845	0.6
195.11719	0.7
205.15945	0.8
209.13120	0.6
213.12753	0.7
231.84041	0.5
235.13092	0.9
237.16403	0.7
250.69276	0.5
259.14874	0.7
265.02139	0.5
297.22113	2.5
315.20169	0.6
315.23163	3.9
333.20386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03832	1.8
50.41484	1.8
50.62741	1.8
53.03923	3.5
55.01880	2.8
55.05519	10.8
57.03430	6.2
57.07052	2.0
59.05000	2.7
61.02925	3.7
65.03923	6.1
67.05512	23.0
69.03434	10.9
69.07069	10.6
70.06594	9.9
71.05003	10.3
71.54636	2.5
72.05589	1.8
73.02940	2.2
73.06543	5.8
73.13025	1.9
79.05490	17.7
79.72710	2.1
81.03411	9.7
81.07058	30.7
83.04976	7.6
83.08613	7.1
84.04487	4.9
84.08131	8.2
85.02913	34.2
86.06062	5.4
86.09703	13.6
87.04461	5.5
91.03965	2.5
91.05472	10.1
92.05005	4.0
93.07054	24.8
93.49092	2.1
94.06563	4.6
95.04948	5.1
95.08610	85.8
96.08147	15.8
97.02895	11.4
97.06542	13.5
98.06052	3.1
98.98472	16.7
99.08105	19.9
101.06023	7.9
103.05455	2.0
104.07096	4.1
105.07030	6.8
106.06573	4.1
107.08602	31.8
109.02888	5.7
109.06499	3.8
109.10151	33.8
111.04454	5.8
111.08051	3.6
112.08472	2.1
117.07050	2.6
119.08575	6.6
120.08110	2.6
121.10138	4.3
122.02753	2.2
123.04429	2.3
123.08065	2.7
124.07610	13.0
125.05916	3.6
125.09628	2.3
126.09168	15.2
127.03912	7.2
127.11208	9.3
131.08533	5.9
133.10115	5.7
135.08052	3.6
135.11694	61.3
136.07590	5.1
137.05983	17.0
137.13254	2.3
138.05511	5.6
145.04964	5.7
145.10139	2.6
146.06062	3.2
147.11722	4.6
148.03929	5.1
151.03900	4.2
151.07590	2.6
152.07071	100.0
153.05463	3.6
153.09122	3.6
153.12756	55.7
157.10098	2.9
158.08131	2.0
159.11671	3.9
162.05499	35.5
163.06062	1.9
164.07095	2.7
165.05556	2.1
166.05013	73.1
167.07022	13.5
171.10187	3.9
171.11583	2.4
171.13797	23.9
173.09689	2.7
173.13112	2.4
180.06566	26.3
189.12932	2.2
190.04965	3.4
194.12509	3.1
208.06061	71.4
212.13644	6.0
227.14369	2.7
242.11671	2.7
245.12938	2.7
271.17294	2.3
273.12357	7.0
287.10223	2.5
287.13864	8.4
288.10092	2.6
297.12073	2.6
297.22095	5.9
315.09735	7.4
315.13412	12.0
315.19913	22.2
315.23145	3.7
319.04617	3.5
333.10638	7.1
333.14319	43.8
333.17822	4.3
333.20804	2.8
333.24380	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	333.1907
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03930	7.5
55.01870	16.3
55.05510	23.0
57.03442	42.1
57.07082	59.7
61.02931	14.1
67.05501	20.8
68.41589	5.2
69.03435	48.5
69.07072	21.7
69.95010	10.8
69.95400	13.0
70.06588	7.1
71.04992	8.7
72.08167	5.3
73.02882	8.1
79.05491	16.7
81.03416	16.5
81.07063	54.2
83.04977	31.6
83.08643	7.0
83.50225	4.9
84.61173	5.3
85.02425	8.7
85.02905	100.0
85.06549	19.0
86.09719	5.9
91.05490	11.5
93.07024	12.8
95.04988	5.9
95.08591	24.6
97.02879	34.4
97.06521	17.7
98.98479	29.5
99.04469	10.7
99.08091	40.4
104.07028	5.1
105.07035	10.4
107.08581	13.3
109.02854	12.6
109.06513	16.2
109.10165	68.4
111.04429	15.1
111.08067	15.6
116.81062	5.4
117.06958	6.4
119.08575	9.7
121.06487	8.9
125.05978	13.5
127.03920	23.4
127.11189	67.5
129.07022	6.9
131.08574	11.7
135.08066	13.2
135.11711	12.0
137.05980	17.8
137.09627	7.2
137.13261	8.9
143.08595	6.4
145.04970	24.8
147.11708	11.8
149.09610	10.8
151.11203	11.2
153.05510	7.1
153.09128	7.0
153.12762	73.7
155.14297	66.4
163.06047	6.1
167.07051	16.1
171.06575	5.5
171.10239	5.6
171.13791	45.1
175.11116	7.6
189.12773	12.5
195.13795	18.3
248.98195	5.4
253.14366	6.2
277.67419	5.7
289.18726	6.0
303.29425	5.3
315.09470	9.8
315.12903	6.1
315.19958	20.5
333.05927	16.8
333.10260	8.9
333.13855	12.1
333.17227	16.2
333.24310	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	333.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
54.27870	2.4
55.01862	8.6
55.05527	13.3
57.03433	6.4
57.07072	4.7
58.40968	2.4
61.02933	6.2
67.05505	7.2
67.22272	2.3
69.03436	14.2
69.07069	17.8
69.68722	2.7
70.06586	5.4
70.28196	2.8
71.05003	29.5
71.27361	3.6
71.27690	3.4
72.08141	8.5
73.02921	4.3
73.06545	3.8
79.05500	15.2
81.03421	5.9
81.07062	39.6
83.04969	6.6
83.06089	3.4
83.08611	4.7
84.04504	6.4
84.08138	3.5
85.02913	50.9
85.06538	4.1
86.09708	7.7
90.92548	2.9
91.05493	15.9
93.07047	28.8
95.04977	8.0
95.08621	15.8
97.02900	12.7
97.06514	14.9
98.98473	19.4
99.04428	3.5
99.08128	3.2
103.85164	2.7
105.07050	16.2
107.04961	6.2
107.08594	26.0
109.02856	9.9
109.06522	8.8
109.10162	10.1
111.04434	9.5
116.10732	2.6
117.06999	5.4
117.10986	2.7
118.06518	3.4
119.08580	17.8
121.06546	3.2
121.10155	5.1
122.03732	2.6
123.08059	4.5
125.06027	8.4
125.13297	3.2
126.42750	2.9
127.03927	8.4
131.08575	14.2
133.05031	2.9
133.06485	5.4
133.10133	5.4
134.09647	3.5
135.08073	5.9
135.11719	24.9
136.07538	2.5
137.05962	19.8
137.13202	4.6
141.49239	2.4
143.08563	7.4
145.04956	8.0
145.10135	15.0
146.05966	3.2
147.08054	13.6
147.11662	5.5
151.11226	3.8
153.05482	9.5
153.09079	3.6
153.12749	75.8
154.05051	5.3
154.06482	4.8
158.08037	3.2
159.08038	5.9
161.09583	2.9
161.13258	3.1
163.06071	2.6
165.12750	15.5
167.07065	15.3
168.08099	5.6
169.07620	5.7
170.09566	3.9
171.10144	8.8
171.11536	3.1
171.13753	3.5
173.09619	7.7
173.13118	6.6
174.13185	5.4
175.07536	4.1
176.98973	3.4
177.12790	5.8
181.07613	9.5
182.06133	2.7
182.08459	3.5
183.11729	5.9
187.14438	3.4
188.07033	4.8
188.14644	3.6
189.12770	3.7
191.10735	4.8
195.09193	7.5
197.07137	13.7
198.07919	11.7
200.05453	3.7
200.12859	9.3
201.13092	16.7
207.13832	2.6
209.07178	5.5
213.06572	15.0
213.10185	3.6
213.16879	3.4
217.09756	8.7
219.13921	4.5
221.07054	2.9
222.07924	4.5
223.08701	11.8
225.06577	3.4
227.08130	7.0
231.13892	5.6
233.07147	3.4
239.08105	4.1
243.13951	5.4
251.08066	14.5
255.07622	6.9
260.09308	3.9
261.14914	11.4
269.09225	16.1
279.15958	6.9
287.10315	26.1
287.13300	4.5
297.08841	6.3
297.12323	6.0
297.16937	7.9
297.22086	4.4
315.09784	39.8
315.13132	6.1
315.17831	7.3
333.10803	100.0
333.14398	22.3
333.24265	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	333.191
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03947	3.4
55.01857	5.5
55.05502	6.4
57.03423	7.2
57.07073	12.6
59.05004	8.0
60.04504	2.0
61.02934	8.1
64.28992	1.4
67.05509	14.0
69.03088	1.8
69.03432	23.9
69.07076	14.3
70.06561	1.8
70.87370	3.7
71.04990	7.9
71.59985	1.3
72.80721	1.4
73.02908	4.5
73.06532	2.7
77.82233	1.5
79.05507	7.7
81.03416	9.5
81.07061	19.6
83.04976	3.5
83.08602	5.1
85.02910	66.9
85.06544	13.1
86.09727	8.2
87.04474	4.5
87.10040	3.0
91.03973	3.9
91.05461	6.2
93.07038	16.1
95.04974	7.2
95.08611	68.3
97.02895	20.1
97.06517	11.1
98.98473	7.0
99.04440	3.8
99.08102	19.0
105.07005	5.6
107.08592	22.5
109.02876	9.5
109.06545	7.9
109.10169	29.6
111.04427	3.2
111.08111	10.8
111.11703	2.4
113.08889	2.9
113.09644	40.9
117.07030	2.9
117.22829	1.8
119.08566	7.2
120.87181	1.6
121.10110	3.0
123.08065	1.8
127.03933	15.0
127.11201	41.7
131.08565	6.5
133.10133	5.6
135.11703	31.0
137.05963	7.5
137.13226	2.4
139.11172	1.5
143.08566	3.5
145.04970	18.0
145.10097	4.3
147.11671	3.3
149.09581	3.0
149.13193	2.3
150.05528	2.6
153.05498	1.9
153.12756	100.0
155.08496	1.9
155.14336	4.6
157.10120	3.2
159.11691	3.1
161.13257	2.4
164.07021	3.2
167.07007	9.3
169.10097	2.8
171.13814	61.6
173.12939	4.5
174.13165	3.5
175.14822	1.6
177.12692	2.4
183.11639	2.0
185.13200	2.4
187.11102	2.0
187.14955	1.8
195.11739	2.1
195.13841	1.9
201.16472	2.6
209.13173	2.1
211.14792	1.6
213.10295	2.6
227.11870	1.9
253.19640	2.3
258.10034	3.9
259.10672	2.2
270.09824	2.5
271.20364	1.9
279.21109	2.8
283.10562	1.5
288.09921	2.0
297.22220	7.6
301.11844	22.1
315.09628	2.1
315.13190	2.7
315.19934	2.9
315.23163	11.2
316.14481	1.6
333.10751	3.5
333.14398	11.7
333.18890	8.3
333.24246	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	333.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01866	4.3
55.05523	13.8
55.84505	2.1
57.03440	100.0
57.07077	10.7
59.04992	2.9
59.11348	2.3
60.04520	4.6
61.02911	8.4
67.05507	17.8
69.03434	19.6
69.07079	14.6
70.06580	3.3
71.04984	7.0
71.27842	3.0
73.02899	4.7
79.05496	18.8
81.03398	10.3
81.07062	56.7
83.04968	9.5
83.08614	8.9
85.02910	58.8
85.06525	6.7
86.09715	16.0
87.04469	3.9
87.10040	6.4
91.03964	3.8
91.05471	18.2
93.07052	42.9
95.04939	7.4
95.08611	43.4
97.02905	24.2
97.06541	10.4
98.98480	16.5
99.04453	7.7
99.08101	40.1
103.05477	2.2
105.07029	17.4
107.04939	9.7
107.08611	27.5
109.02876	8.8
109.06494	6.4
109.10170	21.8
111.04402	4.7
111.08065	2.9
113.09687	2.6
115.07571	2.9
117.07024	5.8
119.08582	19.3
121.06501	10.9
121.10139	12.9
123.08096	5.8
123.11712	4.5
127.03931	17.0
127.11199	33.5
129.06944	3.0
131.08589	12.0
133.06456	5.9
133.10106	19.9
135.08025	5.0
135.10686	4.6
135.11696	71.6
137.05943	18.4
137.09579	2.6
137.13264	6.5
138.05472	4.5
142.76988	2.4
143.08572	7.9
145.04974	13.3
145.10124	13.6
146.60695	2.3
147.08023	5.4
147.11679	10.1
149.09697	4.6
149.13286	6.4
150.05530	7.5
151.07578	3.3
153.05482	3.2
153.09125	3.6
153.12752	74.8
155.08566	4.8
155.14296	12.5
157.10106	7.6
159.08058	3.0
159.11696	8.8
161.09644	2.4
161.13275	4.6
163.05975	2.7
163.11269	2.4
163.14795	4.0
165.05670	2.5
166.05011	2.9
167.07054	19.5
167.08348	4.2
169.10104	5.2
171.10158	3.0
171.11620	4.6
171.13834	25.3
173.09598	6.6
173.13115	14.2
174.13202	11.1
175.14828	7.4
177.16328	6.7
179.10519	2.7
181.10081	4.1
183.11684	3.2
185.13266	5.0
187.14839	7.1
189.12717	2.9
189.16380	16.3
195.11780	3.6
195.13789	3.9
197.13223	3.9
199.14838	3.2
201.12613	7.3
201.16499	4.4
202.12660	4.1
209.13269	6.2
213.16315	2.9
215.38484	2.3
216.12225	2.8
223.08754	2.7
223.14775	3.9
224.55516	2.1
227.11789	2.2
227.17964	4.6
239.17896	3.0
241.09715	4.0
255.11206	2.9
258.31882	2.2
269.09122	3.9
269.22571	3.5
279.21082	17.2
288.09805	3.8
297.22144	38.4
301.11661	3.8
312.10434	11.6
312.60449	2.6
315.09607	6.0
315.13306	10.9
315.23178	21.9
332.67682	2.6
333.06631	2.1
333.10825	21.5
333.14270	15.3
333.24237	58.8
338.72079	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	333.1545
Annotation	Strictoside
Peak:m/z	Relative Intensity
53.03944	1.1
54.77042	0.4
55.01878	3.1
55.05514	13.7
57.03431	1.4
59.05003	1.3
62.91377	0.5
67.05509	1.4
69.03435	7.2
69.07069	18.1
69.45625	3.1
71.05009	1.3
73.02924	0.8
79.05498	1.5
81.03418	3.9
81.07078	2.7
82.73421	0.4
83.04980	0.5
83.08624	64.0
85.02917	4.1
85.06565	0.4
87.08102	0.8
91.05479	2.0
93.07045	8.3
95.04992	0.6
95.08598	1.7
97.02892	5.8
97.06535	12.6
97.07146	0.7
98.97605	0.5
98.98460	1.4
99.04468	2.1
101.09655	0.9
103.87725	0.5
105.07031	2.3
107.08609	1.7
109.02881	4.5
109.06513	0.8
109.10188	1.0
111.08088	20.9
111.89374	0.4
117.06959	0.5
119.08597	2.3
121.06510	1.1
121.10145	1.3
127.03904	2.2
129.09122	4.3
131.08568	1.0
133.10120	0.9
135.08069	1.2
135.11696	0.7
137.05984	3.0
139.07553	5.9
143.10677	39.7
145.04996	2.2
145.10098	0.9
147.11722	1.1
149.09615	0.8
153.09138	0.7
157.08623	8.0
157.09959	1.0
159.11639	0.8
161.09666	0.7
162.05496	1.0
167.07051	3.0
171.10172	100.0
173.13254	0.7
175.09573	0.6
187.14857	0.8
189.11200	0.8
197.13359	0.5
201.02719	0.4
201.16451	0.7
273.22043	0.4
288.09915	0.8
297.22049	2.1
301.12799	0.8
315.14243	1.8
315.22922	2.3
316.23105	0.5
333.15225	0.7
333.23917	4.2
336.61020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01869	1.2
55.05513	4.0
57.07072	0.9
65.03931	3.4
67.05508	4.5
69.03421	3.6
69.07060	2.4
70.88588	1.8
70.88923	1.0
79.05496	7.3
81.03403	3.5
81.05792	1.7
81.07053	7.9
82.06604	0.9
83.04966	0.9
83.08607	2.4
85.02893	1.9
91.05488	5.0
92.05003	3.3
93.07047	4.5
94.06554	3.3
95.04955	2.0
95.08614	3.1
96.08120	12.5
97.02872	1.6
97.06533	2.1
98.98473	9.3
99.04460	1.4
100.11259	3.0
100.98875	1.0
101.11582	1.1
105.07030	5.8
106.06568	2.8
107.08588	4.4
109.02868	7.5
109.06497	2.0
109.10155	3.5
111.04450	1.0
116.35571	1.0
117.06998	1.5
118.06517	1.2
119.04993	1.1
119.08582	4.5
120.08154	4.3
121.06478	1.0
121.10156	3.0
122.06014	1.6
123.04434	1.0
123.08080	1.4
123.11716	1.0
124.07588	8.1
126.09159	15.4
127.03915	4.2
131.08562	2.3
133.10168	2.6
134.06004	1.5
135.08095	0.9
135.11674	1.9
136.07555	2.4
137.05980	9.4
137.09634	1.0
138.05502	5.7
140.07172	0.8
141.06993	1.3
141.32643	0.8
143.08577	1.3
145.10063	1.7
146.06017	1.5
147.04424	1.5
147.11713	1.7
148.03925	4.2
149.09602	1.7
151.11310	1.1
152.07068	100.0
153.01859	1.7
153.05411	1.1
154.08638	2.0
155.98743	0.9
156.08458	3.2
157.10146	2.1
159.08063	1.3
159.11726	1.1
161.09642	2.2
162.05505	35.9
164.07071	11.6
166.05003	76.8
167.07060	9.3
169.10141	1.1
173.13190	1.2
175.03889	1.3
176.98894	1.6
179.07126	1.1
180.06558	24.9
182.08139	2.0
189.16367	1.0
190.05052	3.1
195.11678	0.8
203.10652	1.0
207.06506	2.0
208.06052	67.3
227.11789	2.4
231.05067	1.1
242.11987	1.0
245.12770	3.2
253.19620	1.2
255.11401	1.7
269.12842	0.9
270.11374	0.8
273.12427	5.3
279.21048	1.5
287.13861	5.8
288.09885	2.5
297.18536	1.1
297.22079	2.6
305.14972	2.2
315.13443	10.9
315.16724	1.6
315.23038	2.1
333.14453	39.0
333.24228	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2178
Annotation	Ser Leu Ile
Peak:m/z	Relative Intensity
55.05511	2.3
55.16420	0.6
56.05830	0.6
57.03437	1.3
57.07053	0.5
60.04527	20.4
61.02928	0.8
67.05496	1.1
69.03432	1.9
69.07092	1.3
69.42179	2.5
69.42596	1.6
70.02945	1.4
70.06593	1.3
71.05003	0.8
72.04527	1.1
73.86045	0.5
75.85619	0.5
79.05488	1.1
79.58159	0.6
81.03425	1.7
81.07071	1.6
83.04977	0.5
83.08617	5.8
83.57536	0.5
84.04509	1.3
84.08949	4.2
85.02912	4.3
86.06057	0.8
86.09708	80.1
87.05594	13.6
91.05495	1.4
93.07038	1.1
95.04996	0.7
95.08620	2.6
97.02908	1.5
98.98477	6.1
100.11253	0.7
100.73362	0.5
104.10765	1.6
105.07052	0.8
107.04981	0.9
107.08591	0.9
108.08145	2.9
109.02887	0.7
109.10167	1.2
111.04457	0.5
112.11221	0.9
119.08611	0.8
119.55964	0.5
120.08121	0.8
121.10166	0.7
122.02724	1.0
123.11696	0.5
126.09170	0.9
127.03927	1.2
128.10718	8.6
131.08566	0.6
132.10214	5.7
133.06502	0.7
135.11688	1.4
135.51698	0.5
137.06004	1.2
142.08643	0.7
145.04948	1.2
147.11667	0.6
152.07034	1.1
153.12766	2.9
167.07069	1.1
170.08174	0.6
173.12865	100.0
185.86900	0.6
201.12344	36.3
211.13286	1.4
219.13397	1.0
245.18608	2.0
261.83197	0.5
290.55750	0.5
312.10532	1.4
314.12622	0.7
314.19635	1.6
332.13339	2.5
332.17038	1.1
332.20657	0.7
332.24738	2.5
333.10809	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
55.05507	1.9
56.05031	0.6
56.06400	0.5
56.15221	0.5
57.03436	1.7
57.07071	0.5
60.04224	1.0
60.04530	19.2
61.02934	0.6
63.12832	0.5
67.05502	1.3
69.03431	2.2
69.07069	1.3
69.49672	3.4
70.02961	1.2
70.06590	1.5
70.96812	0.5
71.04996	0.6
72.04532	0.9
72.08170	0.7
79.05482	1.1
80.20688	0.6
81.03416	1.5
81.07060	1.9
83.08624	5.7
84.08183	1.2
84.08950	3.4
85.02914	3.4
86.06084	0.9
86.09711	80.9
87.04469	0.9
87.05598	15.4
91.05460	1.3
93.07040	1.1
95.04972	1.2
95.08629	3.1
97.02881	1.8
98.21638	0.6
98.98479	6.0
99.04492	0.6
102.05581	0.6
104.10725	1.6
105.07049	0.9
107.05000	0.6
107.08595	1.5
108.08125	2.0
109.10139	1.7
111.08082	0.7
116.10698	0.5
119.08553	0.8
120.08109	0.8
122.02808	0.8
123.04480	0.7
127.03939	1.5
128.10730	9.6
131.08649	0.7
132.10213	5.7
133.06496	0.6
133.10127	0.8
135.11693	2.1
136.06197	0.7
136.07578	0.7
137.05997	1.4
145.05020	1.1
145.10126	0.6
150.09210	0.6
152.07085	2.0
153.12740	2.7
156.10275	0.5
165.67072	0.6
167.07043	1.2
170.08208	0.5
173.12872	100.0
174.13222	0.6
175.11115	0.9
193.12277	0.9
197.57408	0.5
201.12355	36.8
211.13264	1.5
219.13342	0.7
245.18607	2.4
312.10287	0.8
314.12320	1.0
314.19040	1.0
324.47583	0.6
332.13400	3.5
332.17075	0.7
332.24701	2.7
333.24274	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77212	0.9
55.01870	1.8
55.05514	4.5
56.05034	2.4
56.66819	1.0
57.03443	1.9
61.69366	0.8
62.06070	1.0
67.05507	6.5
69.03435	4.3
69.07071	3.0
70.06593	2.5
70.40204	1.5
70.40581	2.7
71.04984	3.3
71.05374	0.8
74.06076	0.9
79.05480	4.8
81.03419	7.4
81.07058	10.2
83.04958	2.5
83.08612	4.1
84.04517	5.1
84.08118	1.2
85.02911	2.4
86.06067	22.4
86.09667	2.1
87.04465	19.4
91.05461	3.9
93.07050	6.9
95.04962	2.8
95.08607	4.9
96.08118	1.5
97.06545	5.6
98.06071	8.0
98.98459	4.2
102.05530	2.8
104.07109	17.1
105.07021	3.2
107.04962	1.1
107.08597	3.5
108.08127	3.4
109.06533	1.7
109.10184	1.4
111.08082	1.4
112.07596	7.0
119.08553	3.2
121.06483	1.1
121.10139	4.5
122.02724	3.3
124.07587	2.6
125.09623	1.4
126.05512	1.4
126.09141	1.1
129.06978	1.1
131.08575	2.7
133.10127	1.3
135.11678	2.6
138.12738	1.3
140.07091	1.7
142.08643	3.2
147.11661	3.4
149.09622	10.0
152.07117	4.9
154.08635	1.1
157.10150	1.8
158.08125	4.8
162.05464	2.0
163.05832	1.7
165.12746	1.7
166.05029	2.0
169.04997	1.1
169.06573	0.9
169.08514	0.8
170.05171	1.1
170.06456	0.9
172.63231	1.0
173.12883	1.5
175.11194	2.8
177.12785	1.2
182.15442	2.0
184.13275	2.5
184.19168	1.0
193.12257	6.8
194.15547	1.1
195.13828	1.2
208.06009	2.0
210.14897	8.3
211.13293	16.5
212.16383	1.2
213.14771	1.3
224.16447	1.4
225.07614	1.0
228.15994	1.9
252.15997	2.5
260.16418	1.4
270.16965	7.5
278.17502	3.2
283.10849	1.0
288.17969	5.6
296.18665	5.3
314.19611	100.0
332.12860	2.6
332.20615	3.8
332.24304	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	332.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43764	0.7
57.03435	1.4
57.82274	0.7
61.02920	1.9
65.03924	1.6
67.05505	1.5
69.03439	6.9
69.81425	3.1
69.81841	1.3
73.02921	1.6
81.03428	1.6
81.07065	0.8
85.02917	8.4
85.38241	0.7
87.04464	2.0
91.03927	1.0
92.98493	0.8
93.05762	1.1
96.08101	1.0
97.02918	4.0
98.20816	1.0
98.94386	0.7
99.04460	1.1
106.06564	5.3
108.08121	100.0
109.02870	0.7
123.06793	4.4
123.72688	0.7
124.07596	14.8
127.03912	1.5
134.06012	12.2
136.07594	13.0
145.05075	0.9
152.07069	79.8
154.08650	1.9
156.65891	0.7
170.08121	12.4
202.76001	0.9
314.12317	40.5
329.31464	0.7
332.13416	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1342
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
52.82053	0.6
53.03959	0.6
54.57101	0.6
57.03428	1.3
59.04989	0.6
61.02917	1.8
65.03940	1.2
67.05501	1.7
68.38522	0.5
69.03436	5.5
70.37694	1.6
71.05009	0.8
73.02914	1.7
79.05493	0.7
81.03416	1.0
83.88429	0.6
85.02914	6.8
86.86612	0.5
87.04462	1.4
91.04002	0.7
97.02916	4.0
98.20824	0.7
106.06562	4.3
108.08123	100.0
109.02847	0.7
119.60958	0.6
123.06813	2.9
124.07606	13.6
127.03916	1.7
134.06027	12.6
136.07581	13.5
145.05052	0.6
152.07077	78.7
154.08656	1.1
161.04735	0.6
170.08133	12.1
180.31430	0.6
181.68674	0.6
242.07332	0.5
314.12344	42.9
332.13409	79.9
332.73004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.3
57.03447	2.8
57.07081	44.9
65.77483	1.2
67.05513	10.6
69.07072	10.8
69.19302	5.3
69.19726	7.0
71.08638	33.0
75.04494	1.8
80.35334	1.1
81.07066	16.7
83.08624	11.4
85.10178	16.5
87.04454	1.6
91.05485	2.7
93.07050	3.3
95.08615	24.2
95.96751	1.1
97.10194	5.1
98.20713	2.7
98.98473	100.0
99.11749	1.4
100.98875	1.8
105.07071	1.6
109.10161	15.6
111.11687	1.5
116.99454	1.4
119.08591	1.4
121.10196	1.5
123.11747	6.1
128.06036	1.1
131.08601	1.5
137.13258	1.8
151.14877	1.1
159.11710	1.2
169.65279	1.2
174.99232	4.9
176.98897	7.8
217.66365	1.1
221.22623	1.4
239.23738	14.7
240.54697	1.4
252.99619	2.5
257.24811	4.4
276.19159	1.2
311.82434	1.3
313.27408	31.7
331.13525	1.4
331.23044	2.0
331.34000	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	331.2845
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
51.33147	1.4
55.05517	10.2
57.03439	7.0
57.07084	100.0
65.03956	2.0
67.05511	21.3
69.07078	16.6
70.06600	2.7
71.08643	65.1
75.04484	4.3
79.05491	1.7
81.07070	32.7
83.08638	23.6
85.10195	36.0
88.07639	4.3
89.07966	2.0
89.95050	1.6
93.07063	2.0
95.08618	51.1
97.10175	14.2
98.98479	50.8
99.11749	4.2
109.10173	25.7
111.11739	4.2
123.11717	9.0
125.13279	2.2
137.13263	6.0
139.14880	1.8
151.14807	3.4
165.16371	2.1
174.99295	3.2
176.98978	3.9
190.45030	1.9
221.22636	2.2
239.23755	25.3
250.90717	1.5
257.24765	6.0
313.27417	68.7
331.30301	3.2
331.34018	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	331.2268
Annotation	O-Methylpisiferic acid
Peak:m/z	Relative Intensity
51.27126	1.2
53.27135	1.2
55.05494	3.7
67.05172	1.4
67.05501	14.6
69.07059	2.8
69.28143	1.2
71.04966	1.8
71.55456	1.5
79.05486	9.6
81.07058	13.2
83.04993	2.4
91.05473	16.0
93.07051	15.2
95.04958	2.6
95.08605	10.0
95.63105	1.2
97.06524	5.0
98.98472	100.0
103.05441	1.4
105.07044	20.5
107.04959	2.7
107.08607	10.6
107.69585	1.2
109.06506	3.3
109.10162	15.4
116.99512	1.7
117.07005	8.1
119.08577	14.5
121.06498	2.5
121.10162	9.0
123.08083	2.3
123.11694	2.8
125.09602	1.4
128.06226	2.4
129.07002	5.0
130.07747	2.5
131.08575	13.3
133.06462	2.3
133.10127	10.6
135.08017	3.9
135.11671	5.2
137.09644	6.8
141.06993	2.5
142.07768	2.7
143.08563	9.8
145.10143	28.0
147.07971	1.5
147.11696	8.0
149.09619	2.6
149.13246	2.5
151.11160	3.1
155.08568	6.8
156.09338	1.6
157.10149	16.7
159.11691	11.1
161.05931	1.4
161.13234	2.6
163.14911	1.5
167.08643	1.4
169.10139	5.5
171.11729	6.8
173.09613	2.2
173.13220	4.3
174.99222	5.5
175.11195	3.0
176.98944	11.3
177.12726	3.3
181.10077	3.2
183.11743	7.4
185.13272	6.6
187.11250	1.6
187.14853	2.3
189.12724	2.2
193.10097	1.5
195.11691	3.1
197.13261	8.9
199.11234	1.3
199.14832	4.5
201.12810	1.5
203.14235	1.7
207.11713	3.7
209.13254	3.3
211.14726	3.1
213.16385	4.7
215.14316	3.9
217.10161	1.5
221.13255	4.3
222.07835	1.3
223.14622	1.7
225.16431	2.6
227.14235	2.7
227.17892	1.8
233.13286	1.8
233.15561	1.3
235.14905	2.3
241.19548	7.2
243.17523	1.6
248.15486	2.4
252.99673	2.5
253.19392	2.5
255.11662	2.5
255.21025	2.0
257.18948	1.5
260.15665	1.4
265.19482	3.5
267.21060	4.3
269.19040	1.6
277.19470	2.9
283.20590	69.0
285.22070	4.5
287.19958	2.0
295.20566	8.6
301.21759	8.4
313.21573	16.9
316.14792	1.6
331.12589	2.3
331.16821	16.2
331.22772	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.227
Annotation	(+)-Phomopsidin
Peak:m/z	Relative Intensity
53.03947	1.7
55.01876	4.9
55.05513	18.6
56.05027	1.2
57.03438	3.4
57.07088	2.0
58.99599	2.0
59.05012	2.0
60.04508	1.4
67.05509	10.1
69.03434	7.6
69.07066	10.7
70.06600	38.2
70.76900	3.9
71.05001	4.1
71.06960	1.6
71.08626	1.3
72.08161	5.1
73.02968	1.3
76.02242	6.4
79.05501	11.4
81.03414	3.7
81.07064	25.5
81.79440	1.2
83.04985	4.9
83.06113	2.7
83.08626	13.5
84.04508	7.2
84.08162	2.7
85.02910	3.1
85.06577	1.8
86.06097	3.1
86.09714	36.7
87.02669	1.4
87.10046	2.5
88.04016	3.0
91.05489	13.6
93.07057	16.5
93.94739	1.4
95.04980	4.6
95.08608	18.5
96.04536	1.6
97.02905	5.3
97.06553	4.3
97.10186	1.8
98.06072	1.8
98.09763	1.3
98.98477	100.0
99.04467	4.0
100.98927	2.5
103.05443	1.4
104.05002	3.5
105.07047	20.6
105.94366	1.1
107.04967	2.6
107.08599	14.5
108.08128	1.4
109.02889	2.6
109.06542	4.8
109.10168	14.0
111.04459	1.9
111.08092	1.8
115.05484	2.8
116.01684	1.5
116.07111	2.4
117.07047	5.5
118.06562	2.0
119.04888	1.6
119.07346	2.5
119.07732	1.4
119.08591	19.2
121.06529	7.4
121.10146	10.2
122.03629	1.4
123.04428	1.4
123.08092	3.2
123.11736	5.1
124.07613	1.8
125.09628	2.7
126.09219	2.9
127.03952	5.4
127.07555	1.2
128.06256	3.8
129.07106	6.0
130.05038	2.7
131.08569	15.9
133.06519	4.1
133.10155	10.2
135.08099	3.0
135.11723	7.0
136.07632	1.3
137.05992	20.4
137.09654	4.8
141.06999	2.3
142.03279	2.4
142.07811	4.1
143.08583	21.1
144.01228	1.4
145.06546	1.2
145.10147	17.7
146.06079	2.4
147.06833	3.5
147.08078	6.8
147.11699	5.4
148.07706	1.3
149.06012	3.5
149.09645	3.3
149.13283	2.5
150.06461	1.9
151.03865	1.8
151.07603	2.1
151.11232	4.5
152.07161	2.6
153.06949	2.0
153.12773	1.3
154.07747	2.2
155.06857	1.1
155.07304	1.7
155.08562	19.4
157.06630	3.0
157.10149	16.0
159.08144	3.4
159.11684	7.2
161.06036	2.7
161.09682	3.2
161.13237	5.8
162.02315	1.4
162.05553	4.8
165.05640	1.7
165.07080	5.4
165.09167	2.9
167.07108	1.8
167.08530	2.7
168.06641	1.7
168.09404	2.3
169.07634	1.5
169.10043	17.8
169.12347	3.1
169.80621	1.3
170.11848	3.8
171.08052	10.6
171.11688	11.2
173.09634	9.6
173.13329	5.5
174.09416	2.5
174.99315	3.8
175.14838	2.1
176.98912	6.9
177.09166	1.5
179.08640	2.8
180.06628	5.6
181.05014	4.2
181.06474	2.6
181.10086	6.0
182.11035	2.0
183.08145	2.3
183.11717	9.2
183.14992	1.5
185.05995	2.3
185.09663	1.4
185.13272	8.4
186.09192	1.3
187.11102	2.9
187.14835	2.4
188.09239	1.4
188.10777	5.3
189.03256	1.6
189.09193	4.9
193.07375	3.7
193.10211	2.2
195.08115	2.7
195.11774	6.3
197.13301	9.8
199.11282	4.9
199.14796	6.9
200.10762	4.1
201.12814	1.8
201.16476	2.9
202.08705	4.3
207.06564	1.6
207.11832	4.2
209.13290	5.7
210.06892	2.1
210.14079	1.7
211.07503	2.9
211.11221	2.3
211.14871	5.1
213.05771	1.5
213.12784	2.7
213.16376	3.6
215.10855	2.9
215.14374	1.5
216.10312	6.0
217.12431	3.0
219.13832	2.2
221.13344	3.9
223.07669	2.3
223.14809	1.9
225.10670	1.5
225.12851	4.8
225.16463	5.3
227.14433	4.7
227.17934	2.2
228.10284	2.4
229.12328	1.5
229.13506	1.3
229.15401	6.0
231.05144	4.1
233.05981	1.4
235.11740	1.9
235.14931	3.1
237.16389	2.6
239.14275	2.5
239.17921	13.6
241.15977	2.3
241.19695	1.6
243.13905	4.5
243.17484	1.8
244.09770	3.9
245.15346	3.6
246.11528	1.2
250.08716	1.4
251.18121	4.0
252.99812	1.6
253.12674	2.9
253.19618	4.4
255.17406	2.6
256.12183	2.1
257.12952	3.8
257.15524	1.8
259.10696	1.6
259.17065	2.4
267.21082	12.4
269.19009	3.3
271.10855	1.9
271.20642	3.5
277.19672	5.5
285.12268	2.1
285.22049	2.0
287.20190	1.4
295.10806	1.5
295.20575	24.0
299.09198	1.7
302.12717	1.7
303.13535	6.7
313.11624	6.8
313.21661	46.5
324.88559	1.3
331.12817	54.4
331.22681	27.3
341.11313	2.1
353.27805	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2268
Annotation	16alpha-Hydroxyprogesterone
Peak:m/z	Relative Intensity
53.03960	2.1
55.05511	8.3
57.03437	2.9
57.07059	3.2
59.66060	1.7
60.80541	1.7
61.02901	1.9
67.05511	25.7
69.03424	7.5
69.07061	7.7
71.05013	4.1
79.05495	17.4
81.07057	25.1
83.04968	4.1
83.08607	2.7
87.04469	18.2
91.05482	24.7
93.07043	23.2
95.04981	4.6
95.08615	18.0
97.06532	7.2
97.10143	2.2
98.98475	93.0
105.07041	27.6
107.04999	2.0
107.08607	24.8
109.06530	3.8
109.10165	29.1
111.08083	2.7
117.07026	13.6
119.08578	23.2
121.06512	4.3
121.10145	17.1
123.08049	4.4
123.11725	5.0
125.09680	2.9
128.06223	4.5
129.06996	8.7
130.07811	2.2
131.08577	23.3
133.10136	19.4
135.08081	6.2
135.11725	9.4
137.09618	13.2
141.07008	3.5
142.07814	3.0
143.08575	21.8
145.10126	44.2
147.11658	17.2
149.09633	8.5
151.11185	8.4
154.46910	2.2
155.08560	9.3
156.09386	2.9
157.10146	29.9
159.11723	20.4
161.09581	5.2
161.13243	5.2
163.11104	3.4
163.14723	2.2
168.09402	2.5
169.10175	8.6
171.11607	10.8
173.09648	4.2
173.13303	9.3
174.99304	4.7
175.11200	7.7
176.98981	9.4
177.12738	5.2
179.08508	2.9
181.10162	4.3
182.10822	2.2
183.11728	8.3
185.13322	12.2
187.11214	2.8
187.15002	5.2
189.12767	2.9
190.04996	8.2
195.11699	4.1
197.13283	15.3
199.14841	8.6
201.12711	3.9
203.14261	2.4
207.11697	4.9
209.13277	8.5
211.14751	10.4
213.16431	8.0
215.14337	9.2
221.13228	3.5
223.15146	2.5
225.16315	5.1
227.14328	4.8
227.17918	2.2
229.15811	3.0
233.15480	3.0
237.16379	3.5
239.17850	2.4
241.15820	2.5
241.19554	13.3
243.17444	4.0
245.15430	2.7
253.19672	2.4
255.17584	5.2
255.21138	2.8
265.19498	8.4
267.21097	6.3
269.18982	3.4
271.20618	4.1
277.19659	4.9
283.20587	100.0
285.12402	7.5
285.22250	11.5
287.20056	11.1
295.20587	26.5
301.21637	10.2
313.21622	48.2
331.08347	2.9
331.11862	4.0
331.16742	6.8
331.22733	40.6
331.26520	4.4
336.68277	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01876	2.2
55.05516	4.7
56.96553	1.0
57.03416	1.1
57.07093	1.9
67.05504	10.2
69.03426	1.8
69.07069	6.1
69.54639	1.9
69.55048	4.0
71.04987	1.0
79.05497	13.2
81.03452	2.1
81.07066	11.7
83.04989	1.8
83.08621	2.5
85.02911	2.2
85.06554	2.1
88.67434	0.9
91.04911	1.2
91.05481	23.9
92.05003	1.9
93.07048	16.4
95.04984	3.3
95.08613	8.6
97.02898	2.1
97.06539	5.4
97.10199	1.2
98.20787	2.0
98.98470	100.0
100.98882	2.4
105.07027	17.9
106.06570	1.7
107.04949	3.0
107.08602	11.5
109.02887	3.6
109.06538	4.0
109.10162	10.9
111.04461	1.4
111.08082	1.3
115.05482	1.7
116.99544	1.3
117.07008	8.2
119.08580	47.2
120.04465	1.9
121.06503	4.0
121.10146	16.0
123.08073	2.7
123.11723	4.1
125.09679	1.1
126.08463	1.0
127.07494	1.2
128.06236	2.8
129.06998	6.3
130.07791	1.2
131.08577	14.0
133.06505	1.4
133.10143	15.4
134.06020	2.8
135.04443	0.9
135.08023	4.3
135.11691	5.2
137.06006	4.7
137.09636	3.5
138.05525	3.2
141.06950	4.2
142.07822	2.6
143.08556	15.1
145.06471	1.4
145.10123	16.7
147.08101	2.5
147.11688	7.1
149.09683	3.4
149.13303	1.8
151.07539	1.4
151.11237	1.2
152.07062	1.5
153.06947	2.0
154.07826	1.2
155.08566	8.6
156.09340	2.0
157.06544	1.7
157.10126	11.1
159.04521	1.0
159.08061	2.1
159.11676	9.8
161.05966	1.0
161.09631	2.6
161.13277	2.0
162.05560	1.2
163.11220	1.3
163.14957	0.9
165.07034	1.9
167.07259	1.2
167.08623	3.9
168.09311	1.2
169.10153	7.4
169.12251	1.4
171.08113	1.6
171.11687	10.1
173.09653	3.0
173.13281	7.9
174.99171	4.6
175.11223	2.1
175.14824	2.6
176.98984	9.2
177.00514	1.2
179.08618	3.0
180.06555	21.7
180.08020	1.1
181.06639	1.1
181.10149	6.5
182.10963	1.1
183.08043	1.5
183.11617	7.0
185.13278	6.1
187.11206	1.6
187.14763	2.3
189.12807	1.4
193.10262	2.2
195.11644	5.3
196.12392	1.0
197.13268	5.7
198.07648	7.6
199.14871	2.2
201.12772	2.4
204.50034	0.9
207.11787	2.4
208.06026	4.2
209.13219	6.4
211.07584	1.7
211.14815	4.1
213.12874	1.2
213.16479	2.3
221.13342	2.5
223.04898	1.1
223.14926	3.7
225.12695	1.4
225.16498	2.1
226.07104	2.0
227.14273	1.7
227.18013	1.2
229.15912	1.7
234.14001	1.2
235.14879	3.2
236.15614	1.2
237.16403	1.8
239.14203	1.3
239.17993	1.1
240.10236	1.0
243.11443	5.2
243.13547	1.3
247.72653	0.9
248.15550	1.8
249.16455	1.0
251.18021	1.2
252.99843	2.0
253.15941	1.3
257.12881	1.6
257.15457	1.4
259.62857	1.0
259.78470	1.1
265.19513	30.4
267.11514	1.4
267.17633	1.3
267.21146	5.2
270.08459	3.2
271.07214	1.0
271.10852	4.5
271.20874	1.0
277.19449	6.2
283.20544	24.9
284.07858	1.3
285.08765	2.9
285.12326	5.7
285.18826	1.1
285.22110	1.7
287.20261	1.3
295.10806	1.9
295.20541	21.3
313.08215	2.8
313.11642	12.4
313.21594	22.9
331.12674	43.6
331.16422	2.4
331.22668	15.2
331.26538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2267
Annotation	O-Methylpisiferic acid
Peak:m/z	Relative Intensity
53.03940	1.8
55.05525	3.7
55.61650	1.3
57.03429	1.7
60.83199	1.2
62.22885	1.6
63.58843	1.2
67.05505	15.5
69.07059	2.4
71.04977	1.4
73.27939	1.3
73.40693	1.5
79.05493	9.6
81.07059	13.3
83.04983	2.5
91.05491	15.1
93.06466	1.9
93.07043	18.0
95.04961	1.9
95.08623	11.4
97.06527	5.8
98.20770	2.9
98.98472	100.0
100.98869	2.2
105.07032	25.7
107.04948	2.3
107.08591	10.7
109.06490	4.7
109.10158	18.8
117.07040	9.8
119.08582	15.1
121.10139	6.5
123.08057	2.1
123.11689	2.8
125.09625	2.3
128.06248	2.5
129.06998	6.5
130.07886	1.8
131.08577	13.5
133.06477	1.6
133.10110	10.3
135.08067	3.7
135.11662	5.1
137.09673	7.1
142.07748	1.9
143.08588	12.7
145.10126	32.8
147.08028	3.0
147.11729	9.0
149.09622	4.5
149.13168	2.4
151.11208	2.4
155.08585	5.3
157.10158	17.6
159.08057	2.2
159.11685	13.0
161.13210	2.4
163.11240	1.6
169.10158	4.4
170.10831	2.3
170.18538	1.6
171.11679	9.2
173.09676	2.2
173.13261	4.9
174.99231	5.5
175.11194	5.3
176.98920	9.5
177.12778	3.1
183.11758	7.8
185.13284	8.1
187.11128	2.1
187.14842	2.6
189.12656	1.9
195.11707	3.6
197.13274	9.1
199.11107	1.8
199.14848	5.7
201.12714	2.4
202.75693	1.5
206.10782	2.1
207.11732	3.2
208.12428	2.0
209.13260	4.2
211.14809	3.0
213.16379	6.9
215.14391	4.0
221.13284	4.8
222.13998	1.7
225.16370	2.6
227.14293	3.6
239.17874	2.2
241.19533	9.8
247.14746	2.1
249.16446	1.5
253.19655	1.8
255.21204	3.2
257.13217	2.2
259.14771	1.8
265.19467	6.7
267.21097	4.1
269.18790	2.7
271.20712	3.5
277.19501	2.9
283.20584	76.0
284.20889	2.0
285.22168	3.6
287.20154	2.1
295.20508	13.0
301.21637	9.1
313.21564	20.9
331.16959	19.8
331.22806	15.6
349.38290	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2267
Annotation	16alpha-Hydroxyprogesterone
Peak:m/z	Relative Intensity
51.48349	1.5
52.67743	1.9
53.03941	1.9
55.05506	4.7
57.03431	7.1
59.04985	1.9
62.96993	1.5
65.03889	1.7
67.05507	13.4
69.03436	17.4
69.07058	5.7
72.55912	1.5
79.05495	13.9
81.07055	13.8
82.43535	1.6
83.08644	2.0
85.06557	1.6
85.87174	1.7
85.89996	1.5
87.04475	100.0
91.05491	17.0
93.07044	13.5
95.08621	7.9
97.06528	5.7
98.98471	83.0
105.07035	23.3
107.08575	8.4
109.06506	2.2
109.10167	13.8
115.05460	3.1
116.52605	1.7
117.07016	7.9
119.08598	20.8
120.88689	1.8
121.10123	8.9
123.08073	1.8
123.11745	2.3
125.09673	2.0
128.06229	2.4
129.07013	9.6
129.76213	1.6
131.08571	15.2
133.10143	14.4
135.08058	2.6
135.11729	5.4
137.09628	12.3
137.49980	1.5
141.06993	5.4
142.07805	5.0
143.08572	11.8
145.10138	21.1
147.11678	13.0
149.09648	4.4
151.11208	3.2
155.08517	8.7
157.10136	20.1
159.11708	9.5
161.13231	4.6
167.08589	4.4
169.10194	7.5
171.11697	14.2
173.09665	2.6
173.13303	6.8
174.99290	4.5
175.11229	5.8
175.14838	3.8
176.98970	8.8
181.10178	4.7
183.11705	10.4
185.13304	7.2
187.11153	2.0
187.14885	7.6
189.12752	3.6
193.10194	2.1
195.11722	2.8
197.13284	7.1
199.11078	2.0
199.14813	9.5
201.12918	2.4
201.16394	2.5
205.34273	1.9
206.10928	2.1
207.11723	6.2
209.13370	6.6
211.14873	4.8
213.16341	8.3
215.14362	7.5
215.17960	5.1
217.15900	4.1
220.95598	1.6
221.13257	6.8
222.14102	2.2
223.14853	4.4
225.16373	9.1
227.14311	10.8
227.18001	4.9
229.15889	2.8
231.17522	5.0
232.12656	2.0
235.14981	1.9
241.15901	6.6
241.19675	1.9
243.17479	8.3
245.15538	3.9
247.11507	1.8
247.14912	3.0
248.15623	4.0
253.19580	4.4
257.13098	2.8
267.17615	1.4
267.18518	1.4
267.21011	9.7
269.19019	4.1
271.20499	2.7
277.19586	6.9
283.20505	2.5
285.22119	13.8
287.20151	2.0
295.20609	38.9
313.21631	70.8
331.16815	19.0
331.22754	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2268
Annotation	CHEBI:70563
Peak:m/z	Relative Intensity
53.03945	0.5
55.01869	0.6
55.05497	1.3
55.62208	0.3
63.66355	0.3
66.28464	0.3
67.05505	2.8
69.03417	0.7
69.07062	1.1
77.03944	0.3
79.05492	1.7
81.07064	2.8
83.04921	0.6
83.08596	0.4
85.06537	0.4
91.05486	5.9
91.06023	0.7
93.07043	6.1
95.04948	1.3
95.08606	3.7
97.06525	0.8
97.24526	0.3
98.21519	0.7
98.98468	21.6
100.98887	0.9
103.05509	0.4
105.04487	0.7
105.07030	4.3
107.04939	0.5
107.08602	2.8
109.06486	0.4
109.10143	2.0
111.08087	4.8
113.09666	1.7
115.05476	0.3
117.07029	1.9
119.08586	4.4
121.06497	0.9
121.10156	2.5
123.08089	0.8
123.11674	0.5
125.09653	0.3
128.06256	0.7
128.09566	0.3
129.06943	1.5
131.08572	3.9
133.06500	0.4
133.10127	3.0
135.08055	0.8
135.11685	1.3
137.09612	0.9
141.06963	1.3
142.07747	1.1
143.08563	3.5
144.09312	0.3
145.10126	4.6
147.08049	0.7
147.11740	1.4
149.09601	1.0
149.13283	0.4
155.08543	4.1
156.09337	0.4
157.10133	3.1
158.10953	0.3
159.08046	0.6
159.11647	2.9
161.09567	0.7
161.13226	0.7
168.09331	0.4
169.10103	3.1
171.08038	0.5
171.11708	2.4
173.09639	2.1
173.13272	1.2
174.99210	1.0
175.11209	0.9
176.98917	2.2
181.10135	1.1
182.10948	0.6
183.11688	4.2
184.12569	0.7
185.13271	1.6
187.11169	0.7
189.12714	0.4
192.09216	0.3
193.10123	0.9
195.11691	1.3
196.12363	0.6
197.13351	1.7
199.14796	0.9
201.12724	0.8
201.16435	0.3
207.11740	1.1
209.13266	1.4
211.14812	1.7
221.13310	0.9
223.14886	0.5
225.12785	0.5
225.16348	0.7
229.15837	0.5
233.13261	0.8
235.14851	0.6
237.16417	1.1
239.14311	0.5
239.17853	0.8
247.14793	0.7
251.17882	0.4
253.19464	0.7
254.99681	0.4
262.17303	0.4
277.19534	1.2
295.20605	1.3
313.21555	0.9
331.22668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1287
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
53.03936	1.0
55.01867	1.8
55.05502	1.2
56.01569	0.6
67.05495	1.9
69.03428	1.5
69.07084	1.3
70.06574	1.0
71.04982	1.8
71.55830	0.9
72.08141	1.4
79.05495	2.4
81.03411	1.4
81.07054	3.7
83.04976	0.8
85.02908	1.2
91.05495	3.2
93.07050	3.1
94.06567	2.1
95.04977	1.9
95.08615	4.8
97.06551	1.2
98.98472	45.0
100.98911	1.2
103.05451	0.8
105.07021	2.4
106.06554	1.7
107.08588	2.6
108.04493	2.4
108.08128	0.7
109.02862	1.8
109.06532	0.8
109.10171	2.7
110.06062	0.8
111.08060	0.8
113.09660	1.0
117.06972	0.8
119.04920	0.9
119.08571	2.0
120.08113	1.3
121.06493	1.0
121.10138	2.6
122.06031	3.4
123.08047	1.5
123.11707	1.5
124.07560	0.7
125.06011	1.1
127.03977	0.7
127.11185	1.6
129.06995	0.7
130.06566	0.6
131.08566	2.0
133.07578	0.7
133.10149	1.9
134.06012	1.8
135.08041	1.2
135.11591	0.8
136.03954	1.8
137.06004	3.2
137.09692	0.8
141.06995	1.0
141.09088	0.8
143.08566	1.3
145.10126	1.7
147.11697	0.7
148.07545	0.8
149.09540	1.4
151.07559	1.9
151.11272	0.9
155.06052	0.7
155.08572	0.9
156.08104	1.4
157.06514	0.7
157.10130	1.0
158.09613	0.7
159.08018	1.1
159.11653	1.2
161.07141	1.2
161.09668	1.0
162.05496	4.7
163.07559	1.0
164.07062	2.3
165.07047	1.0
167.08485	0.8
167.10670	1.3
168.06618	1.3
169.07594	1.6
169.10097	0.8
169.12239	0.9
170.08331	0.9
170.09676	1.1
171.11684	0.9
173.10905	1.2
173.13150	0.9
174.99190	1.5
175.11201	1.1
176.07092	2.0
176.98950	3.9
179.06033	0.7
181.06398	0.7
183.09276	0.9
183.11740	0.7
184.11320	0.9
185.07138	1.2
186.07840	1.3
187.08661	2.2
189.06560	7.2
189.09126	1.0
193.36897	0.6
195.05545	3.1
197.07109	1.8
197.10822	0.8
198.09221	1.3
199.08678	1.3
200.09406	1.4
201.10240	5.1
203.08202	1.9
211.08731	1.2
212.10901	0.9
213.06606	1.8
213.10188	1.9
213.16393	0.6
214.07318	1.0
215.08176	9.5
215.11772	4.8
221.07230	1.1
225.10316	1.3
226.08743	0.9
226.10985	0.8
228.08815	1.1
229.06094	1.8
229.09756	9.9
229.13385	1.4
231.11444	0.9
239.08167	1.5
239.11766	2.1
240.10217	1.2
241.09727	2.1
243.07700	2.8
243.11279	5.3
252.99835	1.1
253.09924	1.3
256.08096	1.0
257.09241	7.5
257.12885	5.3
267.07632	0.9
267.11243	4.4
268.09912	1.0
271.07217	2.0
271.10809	6.5
275.13815	2.8
277.06049	0.8
283.20520	1.1
285.08649	5.8
285.12326	9.3
287.13013	0.9
287.19910	0.9
295.07208	2.0
295.10828	6.1
295.20547	1.8
303.13428	2.9
313.08151	8.5
313.11804	17.1
313.21606	2.8
315.04840	0.9
331.09149	8.1
331.12863	100.0
331.22458	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1288
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
53.03939	2.1
55.05512	2.5
67.05505	8.4
69.03432	3.5
69.07069	2.6
70.06576	1.2
70.13474	3.2
70.13866	2.1
71.05003	2.8
72.08154	3.2
79.05495	4.8
81.03413	2.4
81.07056	8.2
83.04970	2.7
83.08550	1.4
85.02892	3.7
85.06572	1.9
87.04472	1.8
91.05479	4.8
93.07050	3.3
94.06574	5.6
95.08595	6.0
95.90961	1.1
97.02888	1.7
97.06526	3.4
98.98471	100.0
99.04471	2.1
100.98870	2.0
101.06007	2.0
105.07036	4.8
107.08576	3.6
109.02882	3.7
109.06556	1.7
109.10149	4.0
116.99477	1.3
117.07024	2.6
119.08590	3.7
120.08128	2.0
121.06500	1.4
121.10148	1.8
122.06055	3.1
123.08091	2.2
123.11737	2.3
127.03929	1.8
129.07018	1.5
132.91098	1.4
133.10135	3.6
133.47934	1.4
135.08022	2.0
137.05995	10.3
138.05536	3.3
143.08580	1.3
146.05994	2.1
147.11673	1.5
151.07552	4.3
151.11302	1.5
152.07079	4.0
155.06085	1.7
158.11687	1.7
161.05936	1.3
163.07576	2.0
164.07082	2.0
168.06599	14.7
169.07582	1.8
174.99203	4.6
176.98943	9.4
180.06590	2.2
182.08429	1.7
183.09198	8.0
184.09975	5.3
189.09174	1.7
192.06616	3.5
194.08109	7.4
195.05534	4.6
197.07112	2.0
197.10753	11.3
198.09274	1.6
198.11458	3.3
211.08734	10.8
212.09488	11.3
213.06596	2.5
213.10185	1.5
221.07237	1.6
225.06737	3.4
225.10219	24.1
226.10953	6.3
227.10646	2.0
239.08194	4.0
239.11745	3.0
243.11345	4.8
252.99815	1.9
253.09859	5.9
254.10448	1.9
257.12802	7.8
267.11230	1.4
270.09937	2.4
271.07181	4.6
271.10760	17.9
285.08688	8.9
285.12347	34.7
287.05518	1.9
295.07065	2.0
295.20630	2.2
298.09790	1.9
303.13367	7.0
313.08154	14.8
313.11838	56.5
313.21658	2.8
331.04819	2.4
331.08917	13.0
331.12527	10.2
331.19312	1.6
331.22717	4.0
331.29883	2.0
349.37524	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1912
Annotation	Gabapentin enacarbil
Peak:m/z	Relative Intensity
55.01883	1.9
55.05515	10.4
56.05008	0.8
62.06091	4.6
67.05495	2.2
69.03442	1.2
69.07076	25.5
70.02972	0.9
70.06602	4.0
70.06910	0.7
71.54478	1.0
72.08160	96.6
73.02907	2.1
73.06553	3.3
73.55020	0.7
76.02126	0.7
78.19243	0.7
79.05493	4.4
81.03429	1.2
81.07072	5.6
82.06560	1.4
83.04984	0.9
83.08619	1.5
84.04480	1.4
84.08128	1.7
85.02915	1.3
86.06075	27.8
86.09714	11.0
88.04013	1.7
88.72952	0.8
91.05465	1.9
93.07039	2.5
93.49521	0.8
94.06543	3.0
95.04981	0.9
95.08601	1.8
96.08123	3.4
97.06519	2.7
98.06063	1.2
98.09699	2.7
98.98471	34.2
99.04462	2.4
100.07610	1.3
101.02397	6.2
105.07047	2.1
108.08116	3.9
109.06518	9.8
110.09668	0.8
111.08099	5.9
111.08735	1.1
115.07561	1.4
116.07094	2.3
116.10738	14.8
122.09650	0.8
123.08109	0.9
124.07573	3.2
125.09708	0.9
126.05517	1.4
129.10320	0.8
134.09637	3.5
135.08055	1.1
136.07555	1.7
137.05984	7.4
138.09128	1.4
141.09128	1.4
142.08662	2.2
143.70082	0.8
144.06606	1.1
145.04985	1.3
152.10703	3.1
154.08548	1.0
155.07011	0.8
158.11732	1.3
159.10191	1.7
168.06538	1.0
170.11768	6.2
171.14937	34.6
174.99208	1.3
176.99069	2.0
178.12209	0.8
180.10217	3.9
182.08163	1.4
185.16534	5.2
192.10234	0.9
198.11270	81.5
199.14432	23.3
208.05232	1.8
212.16489	1.8
213.15955	3.1
216.12321	100.0
231.17075	4.2
234.11504	0.9
252.12415	1.6
261.72382	0.8
269.08090	1.2
274.39993	1.0
312.18011	12.5
312.21634	2.2
313.08258	0.8
315.08603	3.2
330.10812	7.1
330.19211	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	329.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.2
55.25520	1.1
57.07069	3.0
67.05495	5.3
69.07076	11.1
70.08580	1.2
74.15556	1.6
79.05478	2.9
81.07069	13.9
83.08607	5.2
85.06539	1.6
91.05494	1.6
93.07034	2.1
95.08610	15.9
97.10161	3.8
98.98477	100.0
99.08067	1.7
107.08640	2.1
109.10180	11.0
111.11712	4.4
123.11713	4.6
125.13266	3.4
137.13295	6.0
149.13293	1.6
151.14832	2.2
174.99271	10.4
176.98940	4.9
179.17950	1.5
252.99771	1.3
293.28226	2.9
329.10986	1.5
329.15067	1.4
329.21301	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	329.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05262	2.2
55.05515	25.9
57.07078	16.6
60.69038	1.8
63.64251	1.8
67.05507	21.9
67.12461	1.8
69.07075	62.3
69.96192	8.5
71.08620	3.8
79.05481	6.6
81.07061	87.8
81.33960	2.3
83.08630	36.5
85.06562	9.0
91.05480	2.2
93.07039	8.5
93.46246	1.7
95.08614	89.6
97.10178	24.9
98.98475	100.0
99.08097	8.1
107.08588	8.6
109.10168	57.2
111.11726	28.0
113.09692	2.6
116.99485	2.1
121.10149	5.3
123.11721	33.3
125.13271	25.5
131.08546	1.8
135.11688	7.3
137.13278	32.2
139.14877	4.9
141.12804	2.0
149.13274	7.7
151.14838	20.2
155.14284	5.2
163.14803	7.2
165.16389	9.2
167.14330	2.7
169.15904	4.2
174.99248	10.8
176.98952	5.9
179.17955	6.6
193.19577	5.4
205.19608	2.6
211.20584	2.5
219.21150	3.7
223.20659	2.1
247.08809	2.2
252.99652	2.7
275.27347	7.4
293.28384	28.1
329.21335	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	329.1595
Annotation	Xylaroside A
Peak:m/z	Relative Intensity
53.03941	1.4
55.01876	0.6
55.05503	1.3
57.03429	2.0
67.05502	1.5
68.15113	0.5
69.03432	5.0
69.07064	1.0
70.15800	1.6
71.04990	1.2
73.02929	0.6
75.04494	2.5
79.05492	4.5
81.03419	5.7
81.07060	4.1
83.04974	0.6
83.06927	0.6
83.67326	0.5
85.02891	3.7
85.06543	0.6
87.04452	0.5
91.05489	5.1
93.07050	28.0
95.04980	1.3
95.08622	3.9
97.02911	1.6
97.06586	0.5
98.20783	0.6
98.98471	100.0
99.04442	1.3
100.98943	0.6
105.07030	4.6
106.07785	0.7
107.08620	2.9
109.02882	3.5
109.06539	0.7
109.10155	1.0
111.08082	1.6
116.99500	1.4
117.07015	0.9
119.08580	5.9
120.76388	0.5
121.06515	1.6
121.10151	34.7
123.08031	0.9
123.11709	1.0
124.07632	0.6
125.05989	0.8
127.03938	1.0
128.07056	0.7
131.08565	2.5
133.10153	0.6
135.06339	0.4
135.08084	0.6
137.05972	1.0
138.15271	0.6
139.11189	8.2
144.04430	0.7
145.04971	0.9
145.10144	0.5
149.09641	9.1
165.09134	0.7
167.10681	8.7
169.10135	0.7
171.11772	0.7
173.09554	0.6
173.13234	0.5
174.99226	10.4
176.98918	4.6
195.11723	0.6
201.12746	0.8
209.09706	0.6
251.00029	1.3
252.99829	1.9
283.09793	0.7
283.20703	0.7
293.13791	3.4
311.09122	0.5
311.14859	0.9
311.20056	0.6
329.06775	0.8
329.10553	1.7
329.14496	0.9
329.21176	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1596
Annotation	Thymoquinol 2-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.39691	0.9
53.03939	4.0
53.67983	0.9
55.01866	2.6
55.05500	2.8
57.03421	3.3
57.07073	1.7
59.04992	3.9
61.02932	1.7
65.03964	1.3
66.94720	0.8
67.05516	6.0
67.08802	0.8
67.91632	0.8
68.99810	4.5
69.03084	1.7
69.03437	28.0
69.03812	1.3
69.07061	5.5
69.51295	6.3
70.06613	1.1
71.04996	15.9
73.02908	1.5
79.05506	8.2
81.03423	17.2
81.07069	20.6
83.04974	3.4
84.70410	0.9
85.02917	8.4
85.06554	1.4
86.09718	1.0
87.04470	2.0
87.29455	0.8
91.05479	4.4
93.07050	13.6
95.01337	1.1
95.04978	12.0
95.08614	7.9
97.02899	17.4
97.06544	10.1
98.20821	2.0
98.98474	100.0
99.04462	8.5
100.98899	0.8
103.03973	1.0
103.05462	1.6
105.07040	9.6
107.04943	2.4
107.08602	13.3
109.02881	10.2
109.06543	8.4
109.10152	2.1
111.04439	3.6
111.08094	1.7
113.05997	4.3
115.03944	7.3
115.05441	1.3
116.99506	0.9
117.06996	1.2
119.08586	4.8
121.06509	5.6
121.10154	51.1
123.04428	8.4
123.08083	5.7
123.11701	11.7
125.02354	5.3
125.06007	9.6
125.09649	6.2
125.49445	0.9
127.03940	9.9
129.01860	2.3
129.05478	1.7
129.07025	1.4
131.08568	3.5
133.06488	3.0
133.10115	3.4
135.08063	3.5
137.06006	1.8
139.11185	14.8
141.05484	6.4
143.03447	5.6
143.08504	2.0
145.04948	2.8
145.06555	1.3
145.10162	4.9
147.08069	3.3
147.11710	2.2
149.05991	3.6
149.09631	8.9
151.03900	0.9
151.07486	4.4
153.01839	36.7
153.09148	1.1
155.08466	0.9
157.10167	2.5
159.06596	2.0
159.07939	1.6
159.11737	1.1
161.05997	1.1
161.09630	7.6
163.11226	1.1
165.09122	2.9
167.07092	1.7
167.10687	25.5
169.08646	1.8
171.02831	2.1
172.35258	1.0
173.09732	2.1
174.99249	9.2
175.11253	1.5
176.98975	3.5
177.09138	5.9
179.07037	2.5
179.10677	2.2
179.90622	0.9
181.10179	1.2
183.10179	2.1
183.11693	1.1
185.04488	3.1
185.10046	1.2
185.11746	9.6
187.11226	2.1
189.09203	1.9
191.10663	3.6
195.10249	1.4
196.05325	1.0
197.08044	2.0
197.09686	1.3
203.10742	1.2
207.10196	2.5
209.09639	1.5
211.11180	0.9
215.10721	3.4
217.12189	1.1
227.10605	1.5
229.12289	2.7
233.11765	1.8
239.10631	1.0
245.11755	2.9
247.13287	1.0
252.99814	2.0
257.11783	2.8
265.14490	1.0
275.12683	5.0
283.15344	1.8
287.14853	1.7
293.13940	5.6
299.09262	1.3
308.13956	1.0
311.09164	1.3
311.14926	18.0
329.10144	3.5
329.15973	78.1
329.21719	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	329.1595
Annotation	Xylaroside A
Peak:m/z	Relative Intensity
51.88257	1.2
53.03940	3.0
55.01859	3.6
55.05499	2.2
56.56499	1.1
57.03428	5.1
59.04981	2.5
61.02917	3.3
67.05504	8.0
69.03088	1.7
69.03436	25.7
69.07060	6.1
70.74596	2.1
70.74936	2.8
71.05001	17.1
73.02918	2.2
76.20585	1.1
79.05511	8.9
81.02990	1.4
81.03423	19.5
81.07060	20.7
82.47128	1.3
83.04974	5.6
85.02907	13.9
86.09198	1.1
90.65297	1.2
91.05483	6.9
93.07049	27.1
95.04982	15.4
95.08633	8.0
97.02904	22.1
97.06534	8.9
98.98471	44.9
99.04464	10.7
103.03928	1.8
105.07045	10.8
107.04955	3.1
107.08598	19.2
109.02883	3.5
109.06540	9.1
110.96178	1.2
111.04430	3.1
111.08098	7.6
113.06004	4.7
117.07029	1.8
119.08607	6.1
121.06487	7.0
121.10153	50.7
123.04436	13.1
123.08096	6.5
123.11700	11.1
125.06012	10.2
125.09638	9.8
127.03902	4.7
129.05482	2.2
129.06985	1.4
130.07779	1.3
131.08556	4.2
133.06485	3.9
133.10162	6.4
135.08047	5.8
135.16037	1.3
137.06020	1.4
139.11165	11.2
141.05458	5.2
143.08511	1.8
145.04950	5.8
145.06555	1.5
145.10159	6.0
147.08054	4.6
147.11676	2.2
149.05937	3.5
149.09625	10.7
151.07576	6.9
153.09077	2.0
156.53409	1.2
157.10127	2.0
159.06535	3.5
159.08066	3.3
161.05971	2.1
161.09654	8.7
165.09128	3.7
167.07018	1.9
167.10695	25.9
171.11794	1.6
173.09607	3.3
174.99249	4.2
175.11197	2.0
176.98943	2.9
177.09142	8.1
179.07076	2.9
179.10675	2.7
183.10199	1.3
185.10049	1.8
185.11696	13.5
189.09082	1.8
191.10646	3.9
199.11208	1.6
207.10167	3.1
209.11661	1.7
215.09001	1.6
215.10788	2.2
225.11205	1.2
227.10745	1.7
229.12222	1.7
233.11862	1.5
245.11690	2.5
257.11734	3.7
275.12808	4.5
283.15399	2.4
287.14813	1.8
287.28784	1.6
293.13831	6.1
311.14880	21.1
329.15964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01863	1.2
55.05514	1.2
56.96567	6.9
57.03442	4.0
57.07086	0.3
59.04996	0.8
61.02644	0.4
61.02931	6.3
67.05506	0.5
68.05032	0.8
69.03437	16.9
69.07061	1.0
70.03767	0.6
70.06594	1.8
71.01361	0.5
71.04992	2.6
71.19948	0.3
71.20348	0.3
71.54790	0.3
72.08157	0.9
73.02924	4.2
73.08464	0.3
74.97633	0.3
77.01590	0.3
79.05496	1.0
81.03422	6.7
81.07072	1.7
82.03779	0.3
82.07381	0.7
83.01344	0.4
83.04987	0.4
84.08150	0.8
84.96047	1.7
85.02911	34.1
86.03236	1.5
87.04475	5.1
87.08121	0.4
88.93663	0.3
91.03967	2.8
91.05473	0.4
95.04985	0.8
95.06102	6.9
96.05846	0.5
96.06429	2.5
96.08154	0.3
97.02903	13.9
97.06527	1.8
97.07661	0.5
98.03230	0.5
98.97606	16.1
98.98471	100.0
99.04445	2.3
99.08109	1.0
99.97931	0.3
100.07600	0.5
100.98954	0.9
101.00867	0.7
101.02391	0.7
103.03983	0.4
105.02058	0.3
105.03387	1.3
107.04974	0.4
109.02225	0.4
109.02895	3.8
110.01289	0.8
110.97587	4.0
111.05544	0.7
112.07603	0.8
112.99135	2.0
115.00687	0.7
115.03979	0.5
116.07076	1.5
116.98631	5.5
116.99501	2.1
117.02182	0.3
117.05565	0.3
119.00269	0.4
119.01840	1.1
121.07663	0.3
122.07982	0.3
123.03838	0.4
124.04724	0.4
124.99149	0.9
125.06001	0.8
127.00687	2.6
127.03932	8.4
128.02348	0.9
128.04263	0.7
128.98621	3.0
129.02065	0.3
129.03911	0.5
130.08667	0.9
131.00183	1.3
132.04375	0.4
132.08165	0.3
133.01721	0.8
134.99655	1.0
135.04756	1.4
137.05959	0.8
138.02592	0.4
138.04399	0.4
140.01155	0.3
140.98595	0.7
143.00166	1.9
143.01907	0.4
143.03821	2.6
144.98071	0.4
145.01747	3.9
145.04964	5.3
146.02405	0.3
146.04201	0.5
146.99713	1.4
147.03142	1.6
147.04347	0.6
148.07625	0.4
149.07964	0.6
150.05504	1.3
151.12325	1.1
152.07124	0.4
152.12643	0.7
152.98602	0.4
155.03633	0.4
155.04704	1.0
157.01768	0.4
158.99678	5.5
159.03363	0.5
159.04922	1.6
159.99902	0.3
161.01257	1.3
161.02901	0.6
161.04865	3.6
163.02699	1.6
163.03926	1.1
164.07097	0.5
166.07243	1.6
166.08580	0.6
167.04637	0.6
167.07571	1.1
168.03868	0.6
168.05431	15.8
168.55615	2.6
169.04518	0.6
170.99707	1.6
171.03242	0.4
173.01210	0.5
173.04842	3.4
174.99245	11.9
175.02728	0.5
175.04428	0.4
176.03351	0.4
176.05276	0.5
176.98972	5.0
177.00722	3.1
177.03174	1.2
177.04303	1.5
177.05960	16.3
177.56123	1.4
178.04913	0.7
179.00302	0.4
179.05841	0.5
180.08859	0.4
181.04514	0.4
182.03386	0.3
182.05330	0.3
182.99651	0.3
183.03436	0.4
183.05151	0.4
185.01318	0.7
185.02948	0.4
187.02829	2.3
187.04416	0.5
188.56827	0.9
189.00769	1.2
189.04330	0.8
189.05927	0.4
190.04967	3.0
190.55270	0.4
191.02361	0.3
191.04128	0.5
191.05917	6.6
192.06371	0.3
193.13377	0.9
194.13719	1.7
201.00644	2.1
201.04268	0.6
203.02263	0.7
205.01814	0.3
205.03867	1.1
209.01277	0.5
209.07030	1.8
209.09628	0.4
213.04326	0.4
215.00554	0.4
215.05836	1.5
217.03827	0.5
217.09125	0.6
219.01781	10.6
219.05215	0.6
225.15944	1.9
226.09654	0.4
226.16322	6.5
227.02271	0.3
227.06772	1.2
231.05318	0.5
233.01521	0.7
233.06960	1.7
237.02835	11.1
238.03156	0.8
238.57825	0.4
239.06808	1.2
239.08786	0.6
240.05713	0.4
247.08449	0.5
247.58574	1.3
248.07104	1.7
248.09268	8.9
248.59334	1.1
249.05769	0.7
249.06250	0.5
249.08127	2.0
250.99994	1.4
252.99731	2.0
253.20979	0.8
254.08028	0.3
255.06390	0.5
261.02835	0.5
262.07098	1.3
262.57208	0.4
265.05890	0.9
267.09167	0.5
269.09534	0.5
275.04736	0.3
275.07843	0.6
279.04025	0.8
283.10587	0.3
284.23218	0.5
285.23679	5.8
289.05930	2.5
291.07501	0.5
292.07983	0.3
293.05414	0.6
297.20120	0.5
307.07065	1.2
307.12445	1.4
309.08704	0.6
319.07001	5.9
319.10696	0.4
320.06937	0.6
323.06683	0.4
328.61023	1.4
329.11801	18.8
329.62137	3.0
330.11987	0.6
333.08401	0.6
334.08649	0.3
335.06577	0.6
335.10135	14.0
336.10449	1.1
337.08063	3.7
338.08691	0.4
349.08090	0.4
353.07315	0.5
353.11203	7.5
354.11273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
55.01862	4.8
55.05514	27.8
57.03432	13.4
60.30861	4.0
67.05188	4.5
67.05516	70.4
69.07077	46.3
70.14983	8.0
70.15395	15.1
71.04979	13.5
75.03854	4.1
79.05504	48.5
81.03382	5.9
81.07063	96.7
83.04987	10.0
83.08604	22.0
85.06525	5.9
91.05489	41.0
93.07050	53.1
95.04964	19.8
95.08614	44.4
97.06530	12.1
97.10146	8.7
98.21491	6.4
98.97873	6.0
98.98476	100.0
105.07043	34.3
107.08604	46.2
109.06525	11.4
109.10173	24.4
111.08078	9.9
117.07018	15.7
119.08584	38.9
121.10159	23.9
123.08091	9.2
123.11674	6.1
125.09622	11.9
129.07002	6.4
131.08549	17.2
133.10187	25.6
135.08087	8.8
135.11699	19.6
137.09589	7.6
145.10127	21.8
147.11716	25.1
149.09579	11.9
149.13318	7.8
159.11696	13.5
161.13235	5.3
163.11185	8.9
171.11673	5.5
173.13255	9.5
174.99208	10.3
176.98958	8.5
177.12726	8.1
181.12239	19.7
183.11621	4.3
195.13828	14.1
203.12744	5.7
215.17844	5.0
216.60187	4.9
272.63910	5.0
275.20111	43.9
293.20984	6.0
344.50446	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	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63625	1.9
54.80362	1.9
55.01858	6.5
55.05514	64.4
59.04988	2.5
67.05217	1.7
67.05510	17.9
67.87124	1.7
69.03442	4.4
69.07082	16.1
74.08134	1.7
76.18126	1.7
79.05498	31.2
81.07062	16.9
83.04974	6.8
83.08624	42.9
90.69897	2.0
91.05489	9.2
93.07037	10.1
95.08602	5.4
97.06538	2.4
97.10176	87.6
98.98459	23.7
105.07034	15.6
107.08601	91.3
109.06543	2.3
109.10172	4.2
111.08042	2.6
117.06990	3.8
119.08575	6.4
121.10146	4.1
125.09635	75.5
131.08620	3.0
133.10153	9.3
135.08035	8.7
140.97009	2.4
143.10666	3.6
145.10107	8.2
147.11682	7.4
149.09631	2.6
153.09128	7.4
159.11700	2.4
161.13206	2.4
171.10216	21.1
171.11647	3.3
173.13286	2.3
174.99164	4.1
179.71140	2.2
181.12242	5.9
189.11230	100.0
257.19116	11.9
275.20078	88.6
275.23114	2.6
276.32172	2.4
293.21045	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	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34505	0.7
51.36915	1.0
55.05497	3.8
67.05505	11.0
69.07069	7.1
71.74751	0.9
79.05493	8.4
81.03438	1.2
81.07059	12.9
83.04963	3.0
83.08614	2.7
87.70818	0.8
89.81242	0.8
91.05478	5.0
93.07050	7.7
95.04957	1.2
95.08615	7.5
97.06541	1.8
97.10134	1.4
98.20744	2.4
98.98470	100.0
105.07024	5.5
107.08617	5.7
109.06536	1.4
109.10144	3.3
111.08128	1.2
116.99496	1.6
117.06985	2.3
119.08555	4.2
121.10117	5.0
123.08040	1.5
123.11636	1.2
125.09654	0.9
131.08562	2.7
133.10150	4.9
134.06725	0.8
135.11705	4.5
137.05983	2.9
137.09601	2.7
138.06325	2.5
143.08614	1.1
145.10117	2.6
147.11667	2.5
149.13242	2.0
151.11140	1.1
159.11685	1.2
163.11215	2.6
171.11571	1.2
174.99234	12.4
175.99586	1.8
176.98851	4.3
181.12199	7.2
195.13763	4.8
235.16933	1.5
241.42854	0.9
250.99930	1.7
252.99808	2.5
257.19058	2.0
275.20062	9.2
293.21115	2.7
328.18140	2.8
328.35690	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	328.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01868	0.9
55.05519	1.4
56.96561	1.9
57.03430	2.3
57.07076	0.8
59.04992	2.0
61.02927	6.0
62.99394	0.5
68.05034	4.6
69.03432	3.5
69.07079	3.1
70.06579	2.0
71.05000	8.0
71.36731	1.0
72.08165	8.1
73.02921	1.2
79.05489	2.6
81.03403	0.7
81.06588	0.8
81.07066	13.9
84.28262	0.6
85.02908	5.8
87.08117	2.2
91.03941	0.9
95.06096	100.0
97.02896	2.7
97.06547	1.7
97.07661	7.4
98.97609	2.6
98.98473	23.1
107.04975	0.8
109.02878	0.9
110.97565	1.5
111.05579	2.3
112.99150	1.1
113.09647	2.9
120.08109	0.9
121.07631	1.2
127.03965	1.6
145.04997	0.7
148.07558	1.3
149.10767	1.3
151.12308	19.0
166.07304	4.6
166.08575	1.2
167.11864	2.8
168.05460	1.1
171.03409	0.9
174.99275	1.9
176.05202	2.2
181.04988	1.4
186.04372	1.1
187.02922	0.8
189.04332	1.1
190.04927	1.3
193.13368	19.9
207.14963	1.5
213.04391	1.2
219.01747	4.6
225.15990	80.5
231.05435	0.8
237.02887	2.1
241.15526	1.4
246.57736	0.8
247.08342	1.0
252.20721	10.9
266.22330	2.6
284.23337	71.3
293.05444	0.8
296.19736	6.0
319.07019	2.0
327.60391	1.0
328.10892	2.5
328.14084	2.2
328.22473	2.1
337.08139	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.2
57.03432	2.9
59.05005	53.8
60.08168	1.1
61.02931	1.8
62.01559	0.8
65.03926	1.3
67.05512	0.9
69.03423	2.8
69.07088	1.5
69.24003	0.8
70.06602	6.8
70.46444	0.7
71.05005	1.1
71.36880	0.7
71.54200	0.8
71.54549	0.9
72.08163	15.1
73.02910	0.9
73.06561	100.0
81.03426	1.9
81.07047	1.5
82.06619	1.1
83.75968	0.7
84.04526	1.0
84.08149	8.5
85.02906	10.8
85.06538	1.8
86.09711	17.5
87.04474	1.9
90.46698	0.9
91.05498	1.6
93.07042	1.1
95.53809	0.9
97.02916	3.2
97.06538	1.2
98.98473	76.4
102.05528	0.8
103.05470	3.6
105.07082	0.7
107.64045	0.8
108.02074	0.8
109.02900	2.1
110.03667	1.1
116.07103	16.6
116.43290	0.7
117.09139	12.3
119.04929	0.7
120.08110	29.6
121.08473	1.6
124.07598	1.4
124.11283	0.9
127.03931	2.5
130.05035	1.2
131.10699	9.0
136.07594	3.1
137.05986	3.7
141.10254	0.8
145.04968	1.8
146.66275	0.9
148.07587	2.7
149.11737	69.8
152.07095	1.6
163.03941	1.8
165.05479	1.2
166.08640	1.7
171.06526	1.8
174.99252	7.3
175.06358	1.2
175.99721	1.2
176.07086	4.0
176.98962	2.4
181.04970	36.6
182.05116	1.3
182.08246	1.0
185.16528	6.0
190.08636	59.1
191.09383	3.4
208.13347	1.1
210.14935	2.6
213.16031	3.6
217.52986	0.8
219.15044	1.8
230.06305	0.8
235.07181	0.8
252.99738	1.0
262.77774	0.8
296.18793	1.1
305.19220	1.1
310.20142	1.4
328.15488	55.0
328.21249	4.8
350.17169	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.01873	0.8
55.05515	0.4
56.05040	0.2
56.95390	0.1
56.96289	0.4
56.96567	5.3
57.03439	1.7
57.07060	0.2
59.05005	0.2
60.08169	0.7
61.02932	2.9
67.05505	0.3
67.85842	0.1
68.05040	0.5
69.03435	7.2
69.07083	0.4
69.77863	0.8
70.03761	0.3
70.06596	1.3
70.98132	0.2
71.01375	0.2
71.04987	0.8
71.95284	0.3
72.08153	0.3
72.96064	0.2
73.02920	2.2
74.06063	0.1
74.97647	0.2
79.05500	0.3
79.64560	0.2
81.03424	2.7
81.07050	0.2
81.54963	0.1
82.05326	0.1
82.06583	0.2
83.01360	0.3
83.06110	0.5
84.04511	0.2
84.08159	0.5
84.96049	0.8
84.96499	0.2
85.02908	14.7
85.06587	0.1
86.03250	0.5
86.06079	0.2
86.09698	0.8
87.04462	1.3
90.05559	1.3
91.03968	1.1
91.05471	0.4
94.06580	0.4
95.05009	0.3
95.06092	1.3
97.02897	6.2
97.03517	0.3
97.06545	0.7
98.03267	0.2
98.06066	0.2
98.97602	10.4
98.98476	3.9
99.04464	1.4
99.97954	0.3
100.07637	0.6
101.00881	0.6
101.02420	0.2
102.09135	0.2
102.96947	0.2
103.03962	0.2
105.03413	0.5
107.04989	0.2
109.02886	1.8
109.07692	0.5
109.21228	0.2
110.07157	0.5
110.41256	0.2
110.97556	1.3
111.04446	0.3
111.05580	2.2
111.97868	0.3
112.99159	0.4
113.00871	0.4
113.06013	0.2
114.05487	0.2
115.02459	0.2
115.03941	0.3
116.07122	0.4
116.98627	3.8
117.05453	0.2
118.08667	0.5
119.01904	0.9
119.03545	0.8
119.04969	0.2
120.02055	0.2
121.05123	4.7
121.07626	3.1
122.05988	0.2
124.11257	0.6
124.99122	0.2
126.02268	0.2
127.02500	0.2
127.03935	3.2
128.02298	0.2
128.98593	1.1
130.06520	0.3
130.93279	0.8
131.00182	0.4
131.01901	0.5
132.10220	0.2
133.03505	0.2
133.05063	0.2
134.06070	0.4
134.99652	0.8
136.07622	0.2
136.08774	0.2
137.04628	0.3
137.06004	0.2
140.07074	0.3
140.98572	0.4
143.00172	0.7
143.01915	0.6
144.03351	0.3
145.03458	0.3
145.04973	2.4
146.08168	0.3
146.99683	0.5
147.04437	0.6
148.05060	0.5
148.06192	6.0
148.07553	1.0
148.94402	0.2
149.01198	0.2
149.07077	0.3
150.05531	2.5
152.02275	0.2
152.07097	1.0
154.93344	0.5
155.00188	0.2
155.01877	0.5
156.98096	0.2
157.01744	0.3
157.03505	0.4
158.01346	0.2
158.99677	0.9
160.03825	0.2
160.06407	0.4
161.01219	0.4
161.02921	0.6
163.02643	0.2
163.03915	0.2
164.07022	0.3
166.07257	100.0
167.01936	0.2
167.05544	0.3
167.07552	0.5
168.03712	0.2
168.98030	0.3
170.05057	0.2
170.99683	0.7
171.02269	0.2
172.02739	0.4
172.94357	7.0
173.03000	0.7
174.04532	0.2
174.99240	0.4
175.04559	0.3
176.99062	0.2
177.00754	0.7
177.04208	0.2
177.05685	0.2
179.11804	0.3
180.14969	2.2
181.04712	0.3
182.03264	0.2
182.99664	0.2
183.05009	0.7
185.02950	0.5
186.03181	0.2
186.99165	0.2
187.04718	0.3
189.00732	0.5
189.03883	0.3
190.02190	0.2
190.03659	1.0
190.95409	4.9
191.03970	0.3
191.54048	0.2
199.93037	0.2
201.00764	0.6
201.04349	0.3
203.04025	0.6
207.11334	0.6
208.96434	1.1
210.04623	0.2
213.03642	0.3
214.03790	0.7
214.95399	7.3
216.96999	0.3
219.01787	2.2
220.02127	0.5
221.05104	0.4
224.08058	0.2
225.12352	1.1
226.03914	0.3
229.06343	0.8
232.04874	0.5
232.96461	22.6
234.05276	0.2
236.13942	0.2
237.02827	1.6
237.05193	0.6
237.55400	1.3
237.57597	0.3
238.07249	0.4
238.57262	0.3
242.07124	0.5
245.05103	0.6
246.05798	0.8
246.55751	1.9
247.06029	0.7
247.58363	0.3
248.95833	0.2
248.99313	0.2
250.97523	8.0
251.16269	0.6
255.56265	0.2
255.98096	0.3
260.07870	0.2
260.94708	0.3
261.02991	0.2
262.07263	0.2
263.06253	0.3
266.18646	1.3
273.08386	0.3
279.03708	0.2
284.08087	0.3
284.19708	3.3
286.97482	0.2
287.97046	0.4
302.09244	0.2
304.04132	0.3
304.98358	0.2
310.08554	1.1
313.18591	0.2
328.03763	4.2
328.07147	0.4
328.12537	8.3
328.18765	1.1
328.60867	0.4
335.06342	0.2
346.04865	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	327.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05664	0.7
55.05518	4.7
57.07065	2.4
59.60246	0.8
61.63032	0.7
67.05506	10.0
69.07073	13.6
69.96252	2.4
69.96666	1.8
71.04991	1.8
71.08607	0.8
79.05494	5.4
81.03439	0.8
81.07064	30.4
82.46144	0.8
83.08629	4.1
85.06548	3.3
91.05492	1.9
93.07053	8.3
95.04945	1.0
95.08614	24.2
97.06541	2.1
97.10176	2.9
98.98472	100.0
99.08102	2.9
100.11233	0.8
104.14233	0.8
105.07056	2.9
107.08593	9.6
109.10173	18.4
111.08092	1.1
111.11732	2.4
116.99531	1.3
119.08595	1.4
121.10155	5.6
123.08083	1.0
123.11709	8.9
125.09619	0.8
125.13310	1.0
133.10133	1.5
135.11710	6.7
137.05978	3.3
137.09630	0.9
137.13286	2.9
139.11185	1.0
149.13269	7.3
151.14809	1.9
157.10065	0.9
163.14807	4.0
164.72476	0.9
165.09116	1.1
165.16493	0.9
167.14249	0.8
174.99245	14.2
177.16338	1.8
191.18037	1.4
205.19542	5.1
223.20523	0.9
235.07597	0.9
251.00159	2.7
253.21887	0.7
261.25790	0.9
277.08780	0.9
291.26788	4.8
295.06177	1.5
327.12454	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.05302	1.4
55.05517	14.2
57.07081	8.0
58.20160	1.2
65.73177	1.3
67.05504	15.1
69.03445	1.5
69.07072	22.4
69.39194	7.2
69.39618	4.2
71.04984	1.8
71.08635	2.5
71.37171	1.4
74.26611	1.5
79.05514	8.1
81.03422	1.7
81.06584	2.2
81.07061	41.5
83.08202	1.5
83.08630	13.7
84.43735	1.4
85.06542	7.2
91.05473	4.5
93.07048	15.3
93.84424	1.3
95.04982	2.3
95.08610	42.4
97.02907	1.4
97.06534	3.4
97.10170	6.4
98.98470	100.0
99.08096	2.4
101.24782	1.3
105.07053	10.2
107.08592	19.1
109.10157	32.7
111.08075	3.6
111.11726	7.5
116.99440	1.4
119.08578	8.9
121.10137	11.5
122.10275	1.5
122.49214	1.3
123.11731	14.7
125.09602	2.6
125.13268	5.8
127.03941	2.8
128.27356	1.3
130.91885	1.3
131.08646	1.7
131.18953	1.3
133.06467	1.7
133.10139	5.4
135.08159	1.6
135.11690	10.7
137.06009	1.8
137.09674	1.6
137.13255	5.0
139.11191	1.5
139.14835	1.5
147.11700	7.6
149.13264	7.3
151.14822	4.4
157.48524	1.7
161.13222	7.5
162.77034	1.4
163.11186	1.6
163.14853	3.7
165.12750	3.6
174.99220	15.4
175.14792	4.1
177.16409	2.9
191.18011	8.4
207.21089	1.8
217.19472	8.4
224.62260	1.3
235.20631	6.7
250.99962	3.1
253.21606	2.6
265.25424	1.6
291.23413	3.0
291.26755	2.5
309.24048	2.1
327.17615	1.5
327.25388	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	327.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12206	1.8
55.05507	13.9
57.03438	2.0
57.07082	4.7
66.92043	2.1
67.05507	17.1
69.07071	24.8
70.06578	4.0
70.87914	4.6
71.04977	7.9
79.05488	13.5
81.07063	77.1
83.08620	10.3
85.06536	5.2
91.05469	4.5
93.07051	14.2
95.08614	51.8
97.06501	4.4
97.10177	9.5
98.98470	100.0
99.08089	5.5
105.07020	4.1
105.92912	2.0
107.08613	18.4
109.10160	35.1
111.08102	3.8
111.11708	4.5
113.09641	6.7
119.08557	4.4
121.10155	16.9
123.11721	20.6
125.09636	3.5
133.06500	3.8
133.10133	5.6
135.11667	11.1
137.05940	11.0
137.09619	2.7
137.13245	7.3
139.11201	2.7
147.11684	3.6
149.13277	13.5
151.14845	4.7
163.07573	5.9
163.14821	8.8
174.99248	16.0
177.16367	5.6
181.16005	2.7
191.17935	2.8
197.13710	2.7
205.19470	3.0
218.71744	1.7
234.17450	2.4
251.00029	3.9
261.25800	4.3
273.25735	2.4
279.26794	9.6
291.26724	13.5
295.21222	2.9
309.27780	5.5
327.12299	3.3
327.19794	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	327.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07805	0.5
53.03927	1.2
55.01868	1.3
55.05523	4.0
57.03422	1.1
57.07073	2.2
57.53011	0.6
58.30898	0.5
59.04988	0.5
62.14637	0.5
67.05509	6.9
69.03422	1.9
69.07072	12.6
70.57844	0.9
70.58199	1.3
71.04992	2.4
71.08607	1.1
76.70848	0.6
79.05503	4.0
81.03420	3.7
81.07066	15.4
83.04979	0.9
83.08628	4.0
85.06561	1.0
91.05492	2.3
93.07066	5.3
93.31484	0.7
95.05003	1.1
95.08614	15.3
97.06528	1.8
97.10184	2.6
98.98472	100.0
99.08102	1.8
101.06026	1.7
105.07045	1.7
107.08605	5.4
109.02895	1.5
109.06532	1.3
109.10160	12.1
109.10838	1.1
111.04472	1.1
111.08086	1.1
111.11726	1.5
113.09679	0.9
115.07583	1.2
116.99551	0.6
119.08598	2.7
121.10152	3.8
123.11722	4.3
125.09682	0.9
127.03931	1.7
133.10118	1.4
135.11682	2.8
137.06000	2.3
137.09608	4.1
137.13252	2.1
139.11179	2.7
141.20554	0.6
147.08008	1.0
147.11719	1.4
148.45695	0.5
149.13269	3.8
151.14854	0.5
153.12816	0.9
155.10707	1.4
161.13330	0.8
163.07565	1.1
163.14859	1.2
165.09146	4.7
174.99232	16.4
175.00681	1.1
177.16397	1.4
183.10191	0.6
191.17992	0.9
205.19467	0.7
217.19492	0.7
240.58688	0.6
246.63548	0.7
251.00073	3.2
261.25867	1.7
273.25717	1.2
277.08536	1.1
279.26865	3.9
291.23453	1.2
291.26917	3.5
309.27927	6.0
327.14578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05513	11.5
57.03460	0.9
57.07080	5.7
59.04999	1.4
67.05505	14.3
69.03410	1.5
69.06721	1.9
69.07069	26.2
70.59837	1.9
71.04977	2.3
71.08632	2.3
74.85278	1.0
79.05503	7.8
81.07059	47.0
83.08625	10.4
85.06535	10.4
86.90586	1.0
91.05482	4.8
93.07043	14.4
95.08614	40.8
97.06547	3.1
97.10176	8.6
98.98471	100.0
99.08090	4.4
100.31013	1.1
105.07036	10.0
107.08596	15.1
109.06437	1.3
109.10162	29.5
111.08089	6.5
111.11747	6.3
113.09670	2.2
119.08576	7.5
119.55224	1.1
121.10160	11.3
123.11717	17.8
125.09628	2.1
125.13296	4.9
127.03938	2.5
133.10139	4.5
135.11693	9.5
137.05983	2.3
137.13245	6.1
139.11205	2.2
147.11639	6.1
149.13263	8.9
151.07545	1.3
151.14868	2.7
159.11671	1.2
161.13274	6.9
163.07516	1.4
163.14896	5.2
165.12752	3.6
169.15959	1.5
174.99260	14.1
175.14842	3.4
177.16414	3.4
191.17924	8.3
193.15926	1.4
193.28227	1.2
205.19626	2.1
209.18867	1.1
217.19516	8.7
225.22165	2.4
235.20711	7.4
251.00041	2.2
253.21721	3.9
267.23212	1.2
291.23526	1.2
291.26746	2.2
309.24323	2.6
327.25412	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	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.5
55.01860	3.3
55.05504	6.8
55.72559	1.7
57.03435	2.5
57.07084	2.8
64.27533	1.4
67.05505	19.8
69.07070	9.9
69.20039	5.1
69.20463	12.6
69.59917	1.4
77.03951	1.4
79.05486	13.5
81.07063	17.8
83.08601	3.2
85.06529	1.9
91.05485	21.8
93.07043	39.3
95.04970	45.3
95.08606	28.8
97.06548	11.6
98.20790	4.5
98.98467	100.0
102.11497	1.8
105.04530	2.6
105.06390	2.5
105.07037	30.8
107.08604	18.5
109.06528	6.1
109.10155	13.0
110.10162	1.9
111.08073	1.7
115.05460	2.7
117.07038	10.1
119.08581	31.8
121.06483	12.2
121.10145	15.8
123.08043	6.6
123.11742	4.7
125.62383	1.6
128.06239	2.5
129.06978	4.6
130.07774	4.1
131.08586	17.6
133.10136	23.8
135.08038	5.2
135.11693	6.7
137.09596	3.3
142.07765	7.7
143.08583	10.5
144.09337	3.4
145.10127	22.3
147.11690	7.5
149.13248	2.0
152.06204	8.9
153.06956	10.4
155.08560	5.4
156.09329	4.2
157.10150	18.9
158.10834	1.8
159.11676	24.3
161.09689	7.8
161.13312	3.7
163.11194	1.8
167.08542	1.9
168.05707	2.4
169.10138	9.5
170.10873	2.2
171.11723	10.0
172.15187	1.8
173.09789	2.2
173.13295	8.7
174.99249	14.1
175.11130	2.7
175.14825	12.5
183.11688	6.5
185.13254	6.0
187.11186	3.8
187.14844	7.6
187.75146	1.7
189.16454	3.1
195.11697	2.5
196.12436	2.6
197.13197	4.5
199.14799	4.7
209.13300	4.6
211.14790	7.6
213.16273	1.9
215.02573	3.4
215.14201	2.9
217.15887	1.8
219.97459	1.9
221.13315	2.3
223.14748	2.4
225.16428	2.1
228.09360	2.2
229.15855	1.9
233.03647	11.2
235.14784	3.6
250.99934	2.3
251.04672	3.4
253.15648	1.9
291.21060	1.8
309.22171	4.7
327.07779	40.2
327.23331	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	327.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
53.28132	0.3
55.01065	0.3
57.03437	0.4
67.05505	0.6
69.03437	1.2
69.07056	0.3
69.73400	0.3
69.73790	0.3
69.87384	0.3
70.06586	0.4
71.04999	0.4
71.54052	0.5
72.37405	0.3
77.01616	0.4
79.04239	0.4
79.05493	0.6
80.05024	0.5
80.97378	0.2
81.03420	0.9
81.07068	0.4
83.04993	0.3
84.04551	0.5
84.08123	0.3
85.02909	2.1
86.63852	0.2
91.05492	0.4
92.05017	0.5
93.07072	0.8
95.04967	0.7
96.04509	0.4
97.02886	1.2
98.98472	100.0
99.04464	1.9
103.05454	0.4
105.01915	0.5
105.05789	0.3
106.06573	0.5
107.04946	0.8
109.02890	1.8
109.06558	0.5
110.06066	0.3
111.04504	0.3
116.99519	1.9
118.06538	0.4
120.08113	10.6
123.04446	0.6
125.61900	0.3
126.05499	0.3
127.03934	2.5
130.06529	7.9
132.04509	0.3
133.05258	1.6
134.06091	0.3
137.05994	0.8
141.05469	1.1
144.06551	0.4
145.04919	0.6
147.04454	0.5
148.07581	81.3
149.07967	0.5
150.07846	0.3
151.03922	0.3
151.06190	0.4
161.05948	0.4
163.03915	0.4
165.10249	27.2
166.08658	0.9
171.75763	0.3
174.99239	16.2
177.05331	0.3
178.00194	0.2
181.04979	0.3
183.06541	0.4
207.11305	7.1
207.13205	0.5
235.07483	0.4
237.12370	2.7
251.00034	2.9
253.08604	0.3
263.07111	0.7
273.12402	0.5
281.08118	0.9
291.13403	0.7
295.09943	0.3
309.07703	0.3
309.14496	0.9
327.15515	57.9
328.15634	0.5
345.12961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
54.24625	0.7
55.01855	0.8
55.05503	3.4
56.25809	0.7
56.96573	0.7
57.03432	1.0
59.30720	0.7
61.02929	3.8
66.90589	0.8
67.05505	8.9
69.07047	3.6
70.06595	23.6
71.04994	85.8
79.05503	10.6
81.03418	2.0
81.07061	12.5
83.05011	0.9
83.08621	1.2
85.06529	0.8
90.89218	1.0
91.05481	2.5
93.07054	2.9
93.14494	0.7
95.08611	17.0
96.08103	0.9
96.08985	1.1
98.98470	63.1
102.26360	0.8
103.05455	1.1
105.07005	4.6
106.26334	0.8
107.08605	14.9
108.08121	1.7
109.06505	1.6
109.10162	9.6
110.10456	1.1
113.09645	100.0
114.05521	5.3
114.10004	0.9
116.07099	27.7
116.99483	1.2
117.07018	1.0
119.08601	5.2
120.15427	0.8
121.10143	2.5
122.10544	0.8
123.08096	1.5
133.00755	0.8
133.10184	4.3
135.11790	1.1
149.13255	8.6
150.12828	2.1
151.14809	4.8
154.08565	0.8
158.08105	2.2
159.08119	0.7
161.13263	11.6
163.14824	4.4
167.46001	0.7
174.99225	8.2
177.11043	0.8
179.14331	4.1
185.09732	1.0
195.17477	1.1
196.13329	40.4
206.87781	0.9
251.00081	2.2
256.13309	1.3
264.16959	0.9
294.20612	10.2
308.22183	20.9
326.16574	0.8
326.23553	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.8
64.25571	0.5
67.05492	0.6
68.05021	1.4
69.07050	0.9
70.06572	1.1
70.89503	0.6
70.89825	0.9
79.05489	2.3
80.05022	0.6
81.03419	1.1
81.07059	1.9
84.04498	4.6
85.02903	7.7
91.05521	1.4
93.05797	0.6
93.07055	5.7
95.08610	1.2
96.08121	1.0
98.02410	0.8
98.06045	0.7
98.98463	4.5
102.05523	0.8
105.07036	1.0
107.08592	3.1
107.12992	0.5
108.08122	20.4
109.08890	1.4
109.10133	1.0
110.09670	2.0
114.05540	1.9
116.07104	1.7
119.08576	4.9
122.09675	11.0
123.10429	2.3
133.10179	1.0
135.11670	4.9
136.11224	2.7
147.38069	0.6
150.12788	22.6
151.13573	7.1
152.14346	7.4
161.13194	0.7
175.11162	0.8
178.15901	0.8
196.20451	0.6
208.13287	1.4
208.81900	0.5
210.07681	1.1
228.12308	1.0
236.16472	2.1
252.12340	1.6
264.15912	1.1
280.15323	0.9
282.16995	100.0
284.18561	2.6
308.18503	1.8
326.19608	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
57.03434	1.3
67.05505	0.9
69.03444	0.8
69.25108	7.7
70.06604	0.9
79.05505	3.3
81.03425	1.3
81.07082	2.4
84.04501	5.5
85.02905	8.3
88.30699	0.8
91.05453	1.0
92.48664	0.8
93.07058	4.9
94.06546	0.8
95.08642	1.3
98.20750	1.3
98.98475	11.9
102.05557	1.7
107.08628	2.5
108.08121	19.3
109.08892	0.8
110.09698	1.1
114.05538	1.3
118.67857	0.7
119.08608	1.2
122.09673	10.3
122.10485	0.9
123.10497	1.4
131.03426	1.7
133.10205	0.8
135.11707	5.2
136.07591	0.9
136.11270	3.2
145.41241	0.7
150.12782	21.0
151.13570	8.9
152.14333	8.9
153.15141	1.1
164.04260	0.8
164.07079	0.9
164.14211	0.7
166.37257	0.7
174.99295	1.2
179.03525	0.9
190.15984	0.8
191.08286	1.0
192.08542	2.2
208.13326	1.8
210.07640	1.1
218.15465	1.0
219.84514	0.7
223.08968	1.0
228.12462	1.2
236.16527	1.5
239.24048	0.7
251.00014	1.3
252.12320	2.2
278.42892	0.8
282.17010	100.0
284.18573	2.8
326.19623	82.9
326.60480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1965
Annotation	TMC 260
Peak:m/z	Relative Intensity
55.05519	0.9
56.04309	0.5
56.51768	0.5
57.03431	0.7
58.51307	0.6
62.46633	0.5
66.99551	0.5
67.05504	1.3
68.05016	1.0
69.07058	1.1
69.69543	2.5
70.06580	1.3
73.94785	0.5
79.05497	2.9
80.05018	1.8
81.07063	1.2
84.04505	5.5
85.02430	0.8
85.02906	10.1
91.05458	1.8
93.05756	0.6
93.07047	6.0
94.06551	1.1
95.08596	1.0
97.02863	0.6
98.02387	0.8
98.98486	3.9
102.05544	1.5
105.07037	0.8
106.06521	0.6
107.08604	3.2
107.09186	0.6
108.08122	25.2
109.08907	1.7
109.10182	0.5
110.09692	2.4
113.02470	0.5
114.05534	0.9
116.07098	1.6
119.08577	4.0
122.08869	0.9
122.09682	12.4
123.10437	2.3
124.11227	0.7
130.05023	1.0
131.03441	0.7
131.08572	0.5
133.10164	0.6
134.06047	0.8
135.11688	5.4
136.11217	3.3
137.05998	0.5
142.05037	0.7
142.48991	0.6
147.11792	0.5
150.12785	25.7
151.13577	9.4
152.07091	0.5
152.14352	8.4
154.85548	0.5
169.10342	0.5
174.99243	1.0
175.11171	0.6
180.06587	0.8
182.11769	0.6
190.15892	0.9
194.11757	0.7
195.12552	0.7
196.13432	1.1
196.16954	0.7
208.13383	1.2
210.07520	2.4
218.15410	0.6
224.61377	0.5
236.16457	2.1
238.10736	0.9
240.12410	0.8
252.12354	2.4
264.16080	0.8
280.15170	0.6
282.17014	100.0
283.17426	0.8
284.18573	3.3
308.18524	1.9
326.19626	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2739
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
55.01861	2.6
55.05511	36.7
57.03408	3.1
57.07081	17.4
59.49729	2.2
66.06803	2.1
67.05505	33.8
69.03410	4.4
69.07071	80.1
71.04993	5.9
71.08603	4.7
71.55914	3.2
79.05506	18.9
81.03453	4.2
81.07062	86.7
81.95452	2.3
83.04990	3.2
83.08622	41.5
85.02909	4.5
85.06551	5.2
91.05495	16.0
93.07050	26.8
95.04975	5.8
95.08610	100.0
97.06542	7.2
97.10174	35.6
105.07049	12.9
107.04957	2.8
107.08599	27.1
109.06512	4.9
109.10161	75.4
111.08073	3.8
111.11719	34.8
113.09645	5.1
117.07044	4.9
119.08588	18.9
121.06477	3.1
121.10138	22.0
123.08076	11.3
123.11713	35.9
125.09629	8.4
125.13264	25.5
129.06992	4.7
131.08591	8.9
133.10164	14.0
135.08037	4.8
135.11664	11.2
137.09613	7.2
137.13263	27.0
139.14752	5.6
145.10110	8.6
147.11705	15.6
149.09630	4.3
149.13219	11.0
151.07591	4.2
151.11168	6.5
151.14812	10.6
153.09023	2.9
155.10643	5.1
157.10098	4.9
159.08070	4.7
159.11667	7.4
161.09610	3.0
161.13226	9.4
163.14769	4.7
165.12798	7.3
165.16397	11.2
167.10715	3.1
169.10085	3.5
169.12299	9.3
171.11667	3.8
173.09616	2.7
173.13193	2.6
175.11229	4.7
175.14867	5.1
177.16382	4.0
183.11684	3.9
183.13791	6.9
185.09694	2.5
187.14876	3.7
189.11234	2.6
189.16451	6.2
191.17986	2.9
193.15863	3.0
197.15392	3.6
201.16342	3.6
203.18069	3.5
204.18364	4.5
205.06523	2.6
207.17479	8.3
207.21161	5.1
209.13422	3.4
211.16809	2.7
215.17952	3.8
225.18558	3.6
227.17889	2.6
235.23819	2.8
237.16383	4.1
239.16411	4.6
245.15344	3.9
247.24214	23.6
261.18509	3.7
263.16412	13.6
265.25198	10.1
271.24295	14.8
272.20233	4.1
273.18484	7.3
289.17990	6.7
289.25214	11.4
290.21078	7.9
307.18991	3.3
307.26590	11.8
308.22253	5.1
325.11014	4.1
325.21155	7.2
325.24664	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	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
55.05507	31.8
57.03422	5.1
57.07082	26.0
61.71279	3.0
67.05502	38.7
69.03424	9.9
69.07070	59.7
70.23936	13.7
71.04981	12.4
71.08635	5.2
77.57513	3.1
79.05502	29.5
81.03401	11.9
81.06585	6.2
81.07062	100.0
83.04981	26.9
83.08621	23.2
85.02905	8.7
85.06546	5.9
85.20673	3.3
85.77243	3.6
91.05475	19.4
92.94389	3.3
93.07041	50.0
95.04969	45.2
95.08615	80.0
95.09168	3.3
95.75978	2.9
97.06512	9.3
97.10175	15.5
98.20848	6.0
98.97615	4.7
99.04453	6.4
101.06038	5.0
105.07045	35.8
107.04990	3.4
107.08607	54.9
109.06526	8.9
109.10157	59.3
111.08086	4.2
111.11716	5.1
113.06004	9.5
117.07004	9.1
119.08582	32.2
121.10145	31.2
123.08089	7.1
123.11708	30.6
125.09663	6.5
125.13257	5.9
127.03919	4.1
127.07533	6.3
131.08580	5.9
133.10118	22.0
135.08058	19.4
135.11708	18.4
137.09645	6.7
137.13260	14.2
145.10106	10.3
147.11656	15.8
149.09650	5.4
149.13243	17.8
151.11209	4.5
159.11714	8.0
161.13286	11.0
163.07533	9.4
163.11157	9.6
163.14824	8.3
165.09218	3.7
165.12828	4.5
171.11629	4.8
173.13268	4.2
175.14848	7.8
177.16330	3.4
187.14835	3.8
189.16336	6.1
190.99319	3.3
215.17982	5.9
271.24222	11.0
289.25275	14.4
307.26288	38.2
325.16382	4.7
325.21426	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	325.216
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.77457	0.6
54.80475	0.7
55.05507	6.5
57.03429	1.2
67.05508	4.7
69.07064	4.4
71.04984	0.9
71.27580	0.6
73.59972	0.6
79.05493	4.7
81.07054	7.9
83.04960	1.1
83.08633	3.8
85.02911	0.8
87.15224	0.6
91.05478	5.9
93.07051	8.1
95.04956	1.2
95.08065	0.8
95.08615	8.9
97.06528	1.9
97.10152	2.1
97.10815	0.6
99.04471	1.0
99.08089	0.9
101.54461	0.6
104.05607	0.7
105.07035	9.2
106.51853	0.6
107.08591	9.3
109.06528	1.8
109.10151	4.6
113.05916	0.6
114.58387	0.6
114.87829	0.6
115.05421	1.0
117.07018	3.5
119.08575	13.8
121.06518	0.7
121.10168	5.1
123.08063	3.8
123.11702	1.3
125.09605	1.7
128.06235	2.0
129.07024	3.4
130.07811	0.6
131.08585	8.2
133.10124	10.0
135.08064	1.7
135.11688	3.4
137.09688	1.2
141.07019	1.9
142.07753	3.9
143.08548	9.9
144.09337	1.6
145.10115	8.4
147.11693	5.0
149.09570	1.0
151.07498	0.7
153.06935	0.9
153.09109	0.6
155.08585	5.0
156.09334	2.2
157.10127	15.6
158.10860	1.0
159.08015	1.5
159.11688	9.5
161.09636	0.8
161.13263	3.0
163.07495	1.0
163.11208	1.2
165.07043	1.7
166.07788	1.3
167.08507	3.0
167.10706	0.7
168.09335	1.3
169.10176	10.2
170.10808	1.0
171.11664	7.9
173.09720	1.4
173.13293	7.2
175.11192	1.4
179.08571	2.6
179.10707	1.6
180.09351	2.9
181.10133	9.1
181.12267	1.1
182.10944	3.0
183.11713	11.7
184.12541	0.9
185.13290	5.0
187.11186	1.5
187.14914	0.9
189.11201	0.9
191.10713	1.3
193.10138	3.0
194.10905	3.2
195.11697	15.1
196.12456	3.6
197.13258	13.1
198.14081	2.4
199.14806	2.7
201.12683	0.7
203.10774	1.2
205.10387	0.9
205.12285	1.4
207.11772	3.5
207.13570	0.8
208.12469	2.0
209.11537	1.3
209.13297	14.5
210.14003	2.3
211.11404	0.7
211.14819	15.7
212.15559	1.7
215.10646	0.9
217.12260	4.8
220.12518	0.9
221.13278	2.4
222.13980	2.0
223.14825	19.2
224.15695	1.5
225.16328	4.6
227.10507	0.7
227.17975	1.2
229.12209	1.8
231.13799	2.9
235.14764	3.1
236.15681	1.1
237.16389	6.1
238.17137	2.2
239.17949	2.3
241.12296	1.8
243.13811	2.0
247.14807	1.3
249.16403	1.7
250.17062	1.0
251.14340	1.0
251.17935	2.5
255.13792	5.5
256.14554	1.4
257.15384	1.0
261.16415	0.8
263.16434	2.2
265.15942	4.2
265.19525	13.6
265.22131	1.0
266.20224	2.2
268.81873	0.6
269.15366	5.4
271.17004	0.9
279.21054	2.3
281.17410	0.9
282.16223	1.2
283.16907	7.7
289.18222	0.7
297.22214	0.8
307.17172	0.8
307.20575	3.7
325.21613	100.0
326.22025	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01847	3.2
55.05493	2.0
57.03439	5.0
61.02896	0.9
62.39819	0.7
67.05471	2.8
69.03436	15.1
69.07040	2.4
69.71104	1.1
69.71516	3.1
70.06568	1.6
71.01350	1.4
71.04991	5.6
73.02893	1.0
75.04468	0.8
79.05484	3.8
81.02985	1.1
81.03420	15.0
81.07062	3.9
82.06548	1.2
83.04971	0.8
84.04514	9.0
84.08121	2.3
85.02438	1.2
85.02907	14.9
86.06072	5.1
86.09684	0.9
87.04444	1.1
91.05482	4.8
93.07042	6.4
95.01330	1.1
95.04938	1.8
95.08581	2.4
96.08112	1.5
97.02879	1.7
97.06548	1.2
98.06052	1.1
98.09683	1.3
98.21490	0.9
99.04462	6.5
99.08067	1.8
102.05564	5.7
102.06137	1.2
103.03904	0.8
105.03388	1.1
105.07007	1.7
107.04952	1.2
107.08610	3.4
108.08124	39.7
109.06490	1.9
109.10166	1.4
110.06028	0.7
110.09711	3.5
112.03955	1.2
113.22365	0.8
114.05517	1.3
117.03349	1.6
117.05515	1.8
117.07008	1.8
118.06541	4.6
119.04919	1.5
119.08568	1.1
121.10184	1.8
122.09657	3.2
123.08064	1.3
123.10387	0.8
124.11221	1.0
127.03910	1.7
127.07575	0.9
130.05006	64.6
131.08559	1.0
133.02814	2.6
134.09650	1.2
135.04411	1.5
135.08078	1.1
135.11690	4.8
137.05984	3.9
138.09047	1.7
142.05006	0.9
145.02837	3.2
145.04976	1.2
145.06477	2.2
145.07587	6.3
146.03149	2.6
147.04477	0.9
147.09172	19.5
149.06013	1.1
150.05502	0.9
150.06671	1.3
150.12788	11.4
151.03854	0.9
151.07542	1.5
151.13579	2.8
152.14348	81.8
154.15891	4.1
159.09233	0.8
162.07913	1.0
163.03938	3.8
163.07516	1.5
163.11145	0.9
173.05910	1.3
173.07146	10.4
175.03908	1.5
175.08716	5.9
176.06104	0.8
177.05469	4.0
178.05821	6.4
178.15887	1.9
186.03210	1.7
191.08165	100.0
192.08478	0.8
193.13380	1.0
196.16988	22.5
201.05452	4.4
205.06525	2.7
205.09981	0.9
221.06017	1.6
222.06802	2.1
233.06009	1.8
235.18085	3.2
237.09158	1.9
237.19786	0.9
239.06972	1.0
249.05522	0.8
250.06197	2.3
261.19769	0.9
264.08075	1.0
264.15939	12.7
265.08698	3.6
266.17432	0.8
271.10999	0.7
278.05734	1.4
279.10342	0.8
281.15167	6.9
281.18591	96.8
283.20264	2.2
289.11801	1.3
292.07385	2.7
293.08105	4.1
297.11340	1.3
307.09613	5.4
307.12848	29.6
307.18970	1.2
308.18741	3.1
325.10706	6.0
325.14053	40.4
325.21225	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35452	0.5
53.03936	0.7
55.05513	1.1
56.05048	0.7
57.03440	1.2
58.20681	0.5
67.05499	0.9
68.05023	1.9
68.17934	0.4
69.03422	1.8
69.07063	0.9
70.06590	1.0
71.05000	1.0
71.55286	0.7
79.05500	3.7
80.05009	1.0
81.03423	1.5
81.07067	3.5
82.06577	1.4
83.01759	0.5
83.04997	0.8
84.04505	10.8
84.08136	1.5
85.02905	15.6
86.06068	5.8
91.05469	1.8
93.07038	5.8
95.01322	1.8
95.04975	1.2
95.08612	1.9
96.08116	1.2
97.02933	1.4
98.06056	1.5
100.07605	0.5
102.05537	8.4
105.07025	1.9
107.04948	1.8
107.08609	3.4
108.08117	37.3
109.02878	1.4
109.06510	1.5
109.10152	1.4
110.09636	2.7
112.03976	1.8
113.02393	0.7
114.05527	1.2
119.08569	1.1
121.06519	0.9
121.10141	1.7
122.03648	0.8
122.09657	2.9
123.10468	1.2
123.11698	0.6
124.11234	1.1
125.05984	0.6
127.03898	0.7
130.05002	73.6
133.02837	1.2
133.10121	1.8
134.09634	1.2
135.04413	1.4
135.11688	5.4
136.11197	0.7
137.05971	6.0
138.09111	1.4
142.05054	1.0
144.05702	0.6
147.04491	0.6
149.05998	0.5
150.12781	10.8
151.07515	5.3
151.13567	2.3
152.14340	87.8
153.05472	1.0
153.14661	1.0
154.15910	3.7
161.13249	0.7
163.03900	0.7
163.07545	0.9
163.11168	0.7
167.07065	0.9
175.03979	0.7
177.05525	0.7
178.05807	0.5
178.15854	2.5
179.03391	0.8
187.07529	1.3
190.15942	0.6
191.08174	3.0
191.80350	0.6
196.16960	30.1
201.05550	1.1
205.06581	1.0
207.06461	0.6
218.15482	0.5
222.06895	0.7
233.05969	0.9
233.09657	0.6
235.18060	3.1
236.16405	1.3
237.08972	0.7
247.07628	0.7
249.05516	0.7
261.19525	0.8
264.07974	0.5
264.15948	11.9
265.08597	1.2
266.17505	1.0
278.05661	0.5
281.18597	68.6
282.18930	0.6
283.20175	2.6
292.07584	0.7
292.64893	0.6
293.07977	1.7
293.11594	0.8
294.12439	0.8
295.09558	0.6
297.11282	1.9
307.09659	1.5
307.12836	1.5
307.19888	1.1
308.18582	4.8
310.12067	0.8
322.30707	0.6
325.10696	3.9
325.14420	4.4
325.21204	100.0
326.21664	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03931	1.7
55.01853	2.3
57.03447	2.5
69.03091	0.8
69.03435	13.7
70.44894	1.4
71.01341	1.0
71.04993	4.7
73.02919	0.9
81.03420	15.4
83.13921	0.6
91.05457	1.0
94.57121	0.5
99.04477	5.4
99.51521	0.6
117.05489	1.2
118.06560	4.6
129.58804	0.7
145.07607	7.5
145.08679	0.9
146.03128	0.6
147.08118	0.7
147.09187	7.3
162.07907	1.2
163.08694	1.2
173.07123	12.4
175.08696	6.5
176.55157	0.5
190.07278	0.5
191.08163	100.0
202.69582	0.6
213.10199	0.6
231.11342	0.7
233.05916	0.7
233.09247	1.7
235.96187	0.5
287.27814	0.6
289.11835	2.1
293.08127	0.7
307.09918	1.2
307.12881	32.9
325.13971	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	325.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.2
55.01873	28.6
55.05514	28.0
56.52710	3.2
57.03434	28.2
63.58471	3.3
67.05173	5.4
67.05509	64.5
69.03434	4.7
69.07072	23.6
71.04974	4.9
74.04438	3.8
79.05499	59.1
80.06253	5.3
81.03409	14.7
81.07059	59.7
83.04982	35.9
83.08615	8.6
84.02147	4.5
84.21068	3.3
85.06546	6.6
91.05486	64.8
93.07054	48.2
95.04978	64.2
95.08614	40.4
97.02899	8.7
97.06499	9.3
103.05437	5.9
105.07039	47.0
107.04960	92.7
107.08604	24.6
108.05694	5.6
109.06522	40.2
109.10149	21.0
111.04448	12.1
111.39391	3.3
112.05210	13.8
113.06059	7.6
115.05408	4.4
117.07016	36.9
119.04906	8.0
119.08591	33.9
120.05688	4.2
121.06512	20.9
121.10142	13.9
122.07304	32.2
123.04422	8.2
123.08069	10.0
128.06152	4.7
129.06995	15.6
131.08583	29.5
133.06488	24.6
133.10123	15.8
135.08037	13.8
135.11690	8.8
137.09616	10.0
141.06935	10.2
143.08531	10.9
145.06509	19.1
145.10106	16.7
147.08040	36.9
147.11728	6.6
149.09656	6.2
151.07605	3.9
155.08624	4.3
157.10120	5.9
159.11661	7.8
160.56938	4.1
161.09633	28.8
161.13271	5.4
162.10381	7.4
163.11180	9.8
165.09120	15.0
169.10156	6.2
171.11679	10.8
173.09596	4.4
173.13271	12.0
175.11153	4.5
175.46703	3.5
187.11131	5.2
187.14786	13.4
189.12759	6.3
197.13193	9.9
205.16006	5.3
214.90012	4.0
215.14293	13.6
216.52063	4.8
233.15364	100.0
251.16498	23.9
257.27524	3.7
273.18613	9.1
290.18835	21.1
291.19556	5.8
325.21536	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	325.1397
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03943	0.3
54.02824	0.3
55.01870	0.5
55.37980	0.3
56.96567	1.8
57.01060	0.2
57.03438	1.4
61.02923	2.1
61.78697	0.2
65.03932	0.4
69.03429	4.3
69.26122	2.4
70.03766	0.4
71.04993	0.3
73.02915	1.2
81.03422	1.7
84.96018	0.8
85.02906	12.7
86.03234	1.3
87.04443	0.8
87.04920	0.3
89.07058	0.2
91.03954	0.6
91.05463	0.8
97.02902	4.5
98.03211	0.6
98.97588	5.9
99.04440	0.7
99.33034	0.3
99.48478	0.3
99.97956	0.3
100.97170	0.4
105.03382	0.3
109.02895	1.2
110.97574	1.6
115.03922	0.4
116.98613	0.9
117.05699	0.3
118.06554	4.0
119.01901	0.4
124.99117	0.4
125.05942	0.4
127.03922	3.0
128.04250	0.4
128.98601	1.3
133.07611	4.4
143.00172	1.4
143.01843	0.4
145.05225	2.7
145.07610	100.0
146.08392	2.1
147.09135	0.7
152.05692	0.5
154.03835	0.3
157.01735	0.4
158.99658	1.0
159.04950	0.3
161.01225	1.1
161.02921	0.4
163.05042	10.3
163.08669	57.3
170.99661	0.8
172.00050	0.3
175.02783	0.4
177.00725	0.5
181.04929	0.4
182.99654	0.8
189.00682	0.4
191.03842	0.6
191.54143	0.5
201.00716	1.2
202.00966	0.5
219.01794	2.4
220.02139	0.3
221.03349	0.7
223.03174	0.3
237.02855	1.0
243.01837	0.6
244.06831	0.4
245.05170	0.4
261.02795	2.1
262.03177	1.0
269.63156	0.3
279.03906	0.6
279.06946	0.3
280.04346	0.4
286.87320	0.3
321.04935	0.5
325.13934	87.7
326.14163	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36160	0.5
53.03938	2.0
53.30862	0.5
55.01860	1.9
57.03424	2.3
61.02912	0.8
67.05498	0.7
69.03436	15.4
70.63130	1.6
71.01334	0.7
71.04994	5.9
73.02914	0.9
79.90325	0.5
81.03423	17.4
85.02878	0.8
91.05474	1.2
91.91660	0.4
93.79182	0.5
99.04460	6.3
110.10486	1.3
117.05512	1.5
117.64906	0.6
118.03694	0.6
118.06554	4.6
128.11551	0.7
133.02805	0.6
145.07631	7.0
146.03200	1.0
147.09180	7.4
149.76254	0.5
162.07872	1.2
163.08678	1.7
173.07118	12.1
175.08678	6.1
177.05426	0.6
178.05885	0.8
187.08643	0.6
191.08171	100.0
192.08559	0.7
201.05429	0.9
205.06535	0.6
205.09737	0.8
233.09207	1.2
237.09222	0.8
289.11914	1.7
292.07321	0.6
297.34061	0.6
307.09924	1.2
307.12900	34.8
314.61740	0.6
325.10748	1.6
325.13986	31.9
331.21130	0.5
331.49664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1958
Annotation	CW 69D
Peak:m/z	Relative Intensity
50.28390	0.3
50.37685	0.3
51.95892	0.3
53.03940	0.6
54.99910	0.3
79.05501	14.3
79.05968	0.7
79.58609	0.3
83.04963	0.6
91.05471	0.4
93.07046	1.5
95.04944	0.6
95.08624	0.4
103.05478	31.0
105.07053	3.0
107.04964	16.4
107.05553	0.4
113.10534	0.4
118.06567	3.3
119.08646	0.3
121.06510	1.1
131.04936	10.1
132.08055	2.0
133.08888	1.0
146.09671	1.4
149.05954	0.7
160.11240	0.7
168.33511	0.3
176.14359	39.9
180.05254	0.3
193.12300	0.3
218.11713	0.5
233.14061	0.7
292.15302	0.6
301.07904	0.3
324.19592	100.0
325.19992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.217
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01860	1.0
55.05503	1.8
58.81997	0.5
65.00859	0.5
67.05507	4.0
69.07072	10.6
69.30965	1.8
69.31390	3.2
79.05495	3.4
81.07056	6.1
83.04983	4.6
86.09710	100.0
91.05485	8.5
93.07047	11.8
95.04977	2.3
95.08611	3.7
96.83450	0.5
97.06557	0.7
105.03404	0.6
105.07040	14.6
107.08578	4.5
109.06525	9.8
109.10150	1.5
111.08062	3.8
114.94630	0.6
119.08595	5.2
121.10162	1.8
123.08117	1.1
123.11713	0.8
124.09737	0.6
128.10715	5.0
129.07059	0.7
131.08551	3.2
132.10214	29.1
133.06491	1.0
133.10133	18.9
145.10147	0.7
147.08037	0.8
147.11708	14.2
149.09605	1.1
149.13315	0.8
151.07558	3.1
151.11191	44.2
156.10229	1.3
161.13292	0.7
165.12744	1.3
172.24541	0.6
175.11182	4.3
192.13800	0.6
193.12320	4.1
202.75620	0.6
203.17999	2.2
212.15446	0.6
221.14854	0.6
222.14906	1.1
260.20108	6.4
278.21173	34.3
306.20676	7.1
324.21753	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03990	1.0
55.05507	3.3
56.58362	1.4
57.03439	29.9
67.05521	2.9
68.05029	33.4
69.03439	1.9
69.07065	2.7
69.10239	1.3
70.06593	76.5
71.04991	1.4
71.55118	1.5
75.04485	24.8
79.05493	72.0
81.03424	2.0
81.07056	4.5
83.04982	4.5
85.02911	2.7
86.06068	49.5
91.05476	11.2
93.07039	3.2
94.06573	2.6
95.04960	2.9
95.08609	2.8
96.08231	1.3
97.06518	2.3
100.07630	1.7
103.05449	2.0
105.07025	5.6
106.06638	1.5
106.07349	1.3
107.08596	65.3
109.02881	1.7
111.04413	8.3
114.05534	14.4
116.07096	54.8
117.07022	3.4
118.06557	1.2
119.08584	73.4
121.10133	3.3
122.06013	4.0
123.08025	1.6
124.07617	3.1
129.05510	2.6
130.04942	1.5
132.06567	100.0
133.06493	27.9
133.07498	1.9
133.10155	2.6
135.08028	6.1
135.11674	1.2
146.09654	1.6
147.11717	9.8
149.05992	2.5
150.05478	2.9
150.12775	11.3
152.07005	1.7
154.08691	1.5
163.11208	5.8
164.02643	1.3
166.08582	1.5
174.12859	2.4
175.11186	5.6
176.14400	2.3
180.06624	2.4
180.10168	2.9
191.10663	2.2
193.12227	4.5
195.12521	6.4
196.13342	22.1
205.06514	1.6
209.11766	3.6
222.06667	1.4
222.14995	2.3
233.05928	1.6
265.08624	2.3
266.39340	1.2
278.17447	3.0
279.34897	1.3
288.12262	4.9
293.08151	1.6
306.13605	3.8
307.09399	1.9
324.09879	2.1
324.14377	2.6
324.18060	18.0
324.21939	3.6
325.10773	2.4
348.12167	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86483	0.3
55.01875	0.3
60.04529	0.4
63.02396	0.6
67.05482	0.4
69.00111	0.3
70.06606	0.4
70.79004	1.0
71.01336	0.3
73.78526	0.3
76.93462	0.3
78.04723	0.4
84.04505	0.7
85.02912	0.6
89.03918	6.7
91.05482	1.2
95.04980	0.3
98.62168	0.3
102.05544	0.4
103.05432	0.5
106.04171	0.7
109.02899	0.5
109.10162	1.3
117.03384	22.5
118.88225	0.4
119.04863	0.4
127.11205	0.5
130.05020	1.2
134.03630	1.5
135.04425	1.4
136.07561	1.8
137.07944	1.6
145.02850	56.3
147.04434	1.0
149.05984	7.6
154.08615	0.6
155.08994	0.8
162.07632	1.2
163.03914	4.2
163.17517	0.3
164.07024	0.7
165.07387	1.1
167.11827	0.6
177.05475	100.0
178.05783	0.5
179.03395	0.7
182.29861	0.4
183.08545	0.4
186.05507	0.6
190.09781	0.6
191.08093	0.7
195.11295	0.7
306.15002	0.4
324.10461	4.1
324.15121	1.9
324.18704	0.5
325.13885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05262	1.8
55.05516	23.3
57.03432	2.2
69.03442	8.1
69.07047	1.3
70.69555	3.3
77.29237	1.2
81.07065	17.0
83.08627	28.1
84.08134	3.8
85.02889	5.5
85.08478	2.6
85.32893	1.0
89.03922	1.2
89.24444	1.2
91.05446	1.3
97.02884	1.7
99.08098	34.9
109.06514	4.5
112.96255	1.3
117.03378	6.2
120.08126	2.1
127.07564	100.0
145.02853	16.3
145.08609	86.8
149.05984	1.6
162.05519	27.8
177.05489	26.6
208.08307	1.2
316.43527	1.3
324.10513	9.4
324.16748	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05259	4.5
55.05508	44.6
57.07075	72.4
59.05000	2.5
66.65401	2.6
67.05508	18.5
69.07069	100.0
71.08631	52.9
79.05479	4.0
81.07053	55.1
83.04980	7.1
83.08618	67.0
85.06522	7.6
85.10183	27.6
88.99493	2.3
91.05454	9.6
93.07065	17.3
95.08054	4.7
95.08607	64.4
97.06528	14.2
97.10168	44.6
99.11746	6.4
105.07030	18.2
107.08598	24.6
109.06505	3.8
109.10153	38.9
109.79329	2.7
111.08082	7.8
111.11709	28.6
113.13300	3.7
115.07556	11.1
119.08569	20.1
121.10133	17.6
123.08090	6.0
123.11700	25.2
125.09628	5.4
125.13264	16.5
127.07516	3.9
128.52937	3.0
129.09099	8.0
133.10132	26.4
135.11687	15.9
137.09607	11.3
137.13261	14.3
139.11153	4.6
139.14827	7.4
139.89442	2.5
143.10719	3.2
143.24355	2.7
147.11697	26.0
149.13264	9.0
151.11168	14.3
151.14838	7.5
153.12772	5.5
155.10654	7.1
157.12234	4.5
161.09628	5.0
161.13271	18.9
163.14734	2.7
165.12773	21.6
167.14368	2.8
169.12271	8.0
175.14827	12.3
177.16348	4.3
179.14319	25.9
183.13824	12.3
185.15372	3.3
189.16409	6.8
193.15872	12.7
193.19559	3.2
197.15402	7.3
205.12270	4.9
207.17455	5.9
207.21088	3.0
211.16910	4.0
217.19539	3.9
221.18962	4.4
231.21111	5.6
235.20647	4.8
263.27344	18.7
278.27997	3.1
287.27374	15.1
305.28290	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	324.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
57.03429	0.3
64.70347	0.3
65.95218	0.3
66.29195	0.3
67.05514	1.6
69.03426	0.4
69.07061	0.5
70.71418	0.3
70.79333	0.8
71.04998	0.3
79.46887	0.3
81.07059	0.6
82.06582	0.4
83.08633	0.7
84.04518	0.7
85.02905	0.6
89.03923	5.8
91.05477	0.7
97.02905	0.3
103.75306	0.4
106.04210	0.8
109.10180	3.1
110.06036	1.0
117.03391	20.8
127.11192	2.3
130.05031	1.2
131.04942	0.8
134.03619	1.2
135.04457	1.4
136.06145	0.4
136.07590	0.6
137.07901	0.6
144.06554	0.5
145.02855	52.5
147.09216	1.4
149.04784	0.5
149.05969	6.7
156.60052	0.3
162.07552	0.5
163.03897	4.0
164.07083	0.9
165.07443	0.8
177.05478	100.0
178.05740	0.5
180.13812	0.7
182.77173	0.3
186.05432	0.4
190.05884	0.4
191.08160	0.4
214.47673	0.3
218.05193	0.4
264.05768	0.3
288.14282	0.5
307.20184	0.4
324.09714	0.4
324.15469	2.7
324.18454	0.3
332.87396	0.3
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
53.03944	2.1
54.26737	1.3
55.01867	2.3
55.05516	13.4
56.96552	1.6
57.07064	6.2
58.06586	3.4
59.05011	1.5
63.08098	1.3
65.03938	1.9
65.68692	1.1
67.05513	28.9
69.03436	4.0
69.07070	23.0
69.75935	1.4
70.99718	3.3
71.05002	9.6
71.08636	2.1
72.08167	2.1
73.02896	1.6
78.50711	1.3
79.05495	17.9
81.03419	3.7
81.07061	100.0
83.04966	6.4
83.08618	11.8
83.23357	1.2
85.02890	3.7
85.06541	6.2
87.04451	1.7
91.05493	10.8
93.07049	31.7
95.04988	7.3
95.08613	90.7
96.08951	2.6
97.06519	6.4
97.10180	7.9
98.97598	2.5
99.04427	2.0
99.08078	2.7
101.06006	7.1
105.07021	17.2
105.07594	1.7
107.08599	31.1
109.02872	5.9
109.06491	3.3
109.10160	55.3
111.04443	3.1
111.08091	3.3
111.08789	1.3
111.11716	3.7
113.06035	1.8
113.09646	3.9
115.07564	5.0
117.07031	2.9
119.08584	12.1
121.06508	2.7
121.10145	24.2
123.08088	4.1
123.11720	26.0
125.05995	2.8
125.09624	1.9
127.03922	2.0
129.05469	3.3
129.09119	2.1
131.08557	3.1
132.10231	9.1
133.06509	1.6
133.10065	14.5
135.08092	2.0
135.11700	18.6
137.05969	3.9
137.09630	3.7
137.13234	14.5
139.07567	1.9
139.11133	3.4
143.07069	3.4
143.08644	2.5
145.10139	6.7
147.11722	7.6
149.13264	15.5
151.11214	2.0
151.14851	3.5
153.09073	2.1
157.10147	2.2
159.08066	1.8
159.11700	4.6
161.05977	3.4
161.09608	3.1
161.13266	6.2
162.06737	1.7
163.11147	2.4
163.14850	7.1
165.16461	2.1
167.10640	1.6
171.11673	2.9
173.13330	2.4
175.11226	2.3
175.14841	3.5
177.12752	1.5
177.16443	3.5
179.10715	1.8
179.17935	1.7
181.12242	2.7
189.16409	3.5
195.13841	4.1
201.16444	2.9
203.18158	1.4
219.21053	4.2
230.21219	4.1
231.21530	14.9
235.16985	1.5
245.22784	1.8
248.08345	1.8
253.17937	2.5
259.24261	6.6
269.22708	2.4
277.25327	5.1
287.23627	3.5
291.10165	2.7
305.24792	31.5
323.05865	1.5
323.09161	5.8
323.12753	3.9
323.19925	2.6
323.26117	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.258
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
51.93047	2.2
55.01868	7.9
55.05518	31.4
57.03432	2.4
57.07082	22.3
67.05511	35.0
68.05820	2.1
69.03430	7.7
69.07074	66.8
69.82482	5.0
69.82857	9.6
71.04990	5.2
71.08630	9.0
75.39042	1.9
75.75103	2.2
79.05488	14.1
81.07062	93.3
83.04974	5.5
83.08624	38.8
85.02904	7.6
85.10197	4.8
85.79723	2.2
87.04478	6.1
91.05501	8.2
93.07056	35.4
95.04968	7.3
95.08614	100.0
96.32149	1.9
97.06564	18.2
97.10181	20.2
98.97592	7.8
99.04454	2.9
105.07045	16.3
107.08602	54.4
109.06501	4.1
109.10162	80.2
111.04468	7.1
111.08105	7.4
111.11758	12.4
113.02393	4.5
115.03941	6.4
119.08584	14.3
121.10143	46.5
123.08097	2.6
123.11713	60.6
125.06012	25.2
125.09653	16.2
125.13289	7.6
129.72383	2.4
131.08591	3.2
133.10139	14.9
135.08083	2.8
135.11699	35.3
137.09720	2.9
137.13263	21.5
139.07588	4.3
139.11232	5.3
143.07031	6.5
145.10127	5.3
147.11694	11.9
149.09628	4.6
149.13249	23.5
151.11157	3.0
151.14832	5.4
153.09091	4.5
157.10130	3.0
158.99641	5.2
161.13245	10.6
163.11224	6.8
163.14848	26.4
165.09213	4.2
165.12740	2.5
167.10716	11.2
171.11583	3.0
173.01221	2.9
175.14845	6.4
177.12900	3.5
177.16408	19.7
181.12286	10.5
189.16403	11.6
195.13829	7.2
195.17509	4.4
203.17966	7.7
205.19595	2.5
209.15417	8.0
217.16077	2.8
223.16907	6.2
231.17470	3.7
235.17064	3.0
241.17963	6.9
244.99760	3.5
249.18539	7.1
259.24216	47.0
269.22705	2.9
277.25208	22.1
287.23700	9.3
305.24750	39.4
323.16534	3.6
323.20218	3.1
323.25842	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	4.3
55.01861	14.5
55.05508	38.3
57.03423	7.8
57.07058	7.7
65.03913	3.3
67.05173	4.7
67.05504	63.1
69.03411	7.4
69.06779	2.9
69.07071	31.7
71.04997	8.3
71.08611	3.6
79.05492	52.7
81.03403	5.2
81.06583	5.9
81.07054	91.8
83.04977	25.0
83.08629	16.5
85.06516	9.8
86.93940	3.5
89.02621	3.4
91.05480	60.3
93.07046	54.7
95.04994	17.3
95.08614	44.5
97.06509	8.6
97.10155	9.2
105.07034	57.9
107.04925	11.5
107.08595	53.7
109.06523	15.5
109.10151	65.6
111.04413	4.3
111.08050	14.2
117.07003	13.7
119.04915	3.7
119.08597	22.9
121.06483	15.8
121.10124	15.2
123.08082	8.0
123.11711	17.7
125.05969	6.7
125.09650	4.6
128.06268	4.3
129.06990	6.2
130.07820	3.7
131.08549	19.3
133.06499	10.6
133.10130	100.0
134.52040	3.1
135.08066	9.7
135.11679	11.2
137.05957	3.9
137.09595	6.2
139.07529	10.2
143.08585	6.4
145.10098	10.7
147.08025	9.8
147.11678	12.0
149.09627	15.9
149.13255	4.9
151.11180	92.3
157.10089	6.4
159.08112	6.0
159.11690	7.5
161.09601	10.9
163.11143	6.2
169.10126	3.6
171.11659	10.9
175.11205	7.6
177.09175	16.1
178.43759	3.1
179.10648	13.6
181.12181	4.8
183.13829	34.4
185.13293	4.7
185.15854	3.1
187.11256	4.3
189.12790	5.2
195.11737	3.4
204.13016	3.0
217.12163	6.0
245.19051	14.9
255.17390	5.3
263.20047	8.3
273.18497	37.1
291.19568	57.1
305.21109	26.7
323.22357	32.7
323.26013	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	323.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.6
55.01874	8.1
56.96571	1.4
57.03433	2.6
59.04995	2.1
61.02923	1.7
67.34907	1.1
69.03425	4.5
69.07060	2.0
70.06569	1.4
71.54222	1.1
79.05498	5.3
81.07049	2.3
83.01380	1.3
83.04985	1.5
84.04522	1.4
84.08163	1.4
85.02916	8.6
85.06545	10.9
91.05479	11.3
93.07005	1.9
95.04961	4.3
97.02898	2.5
97.06539	7.6
98.06852	1.2
98.21278	1.2
98.97595	3.6
99.04455	2.2
103.05491	2.4
105.03391	21.2
105.07037	9.4
107.04956	29.3
109.02882	1.5
109.06538	1.1
110.97561	1.5
115.05447	2.3
115.07574	18.3
117.07009	1.3
119.04958	24.9
121.02872	4.0
121.06483	1.8
123.04389	5.4
125.05996	14.3
126.06329	2.8
127.03918	1.4
131.04935	18.3
133.02850	25.9
133.06487	30.4
135.04428	7.8
143.07045	15.5
144.07382	6.5
145.02885	1.6
145.05016	1.1
145.06454	2.9
147.04414	100.0
149.05989	10.9
151.03947	1.2
159.04405	7.2
160.07603	1.1
161.02348	17.7
161.04620	1.4
161.05984	35.9
161.08043	8.9
163.03905	2.1
165.05496	2.1
171.04391	10.2
171.05609	2.4
173.05980	2.8
175.03923	1.6
177.05447	5.5
179.03381	9.1
181.04976	1.3
185.05913	1.3
187.03911	18.6
189.05476	66.4
199.03929	17.6
201.05461	1.5
205.05025	5.1
209.19995	1.0
215.03514	1.6
217.04965	80.4
219.01767	3.6
235.06047	3.2
237.02838	3.1
245.04417	2.9
253.06808	1.4
259.06024	1.1
263.05521	78.0
305.06519	2.2
323.07526	2.6
323.12366	3.8
323.16040	2.9
331.06979	1.6
349.08075	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25004	0.6
55.01862	0.5
55.05495	0.9
57.13116	0.5
62.15273	0.5
64.94199	0.6
67.05511	1.1
69.07071	20.6
70.84206	1.3
71.05031	0.6
71.45140	0.5
73.06554	10.0
76.32449	0.6
79.05489	5.2
85.02905	5.7
92.01212	0.6
97.06535	46.4
103.03948	20.6
103.04657	0.9
115.07578	7.7
125.06001	100.0
126.06309	0.6
131.65657	0.5
141.69452	0.6
143.07040	29.0
146.06024	1.4
161.08105	18.7
182.24323	0.6
245.11815	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64151	0.7
53.03939	1.4
55.01884	3.6
55.05520	19.1
57.03417	0.9
58.09496	0.7
60.96392	0.6
62.06098	17.4
63.06409	2.2
63.06711	0.7
67.05511	13.7
68.05840	1.0
69.03430	3.3
69.06734	1.0
69.07079	13.9
69.30681	2.2
69.31095	3.4
71.04988	1.8
79.05071	0.9
79.05505	13.2
80.05827	0.8
81.03415	1.7
81.07063	14.1
82.07383	1.5
83.04966	1.6
83.08628	10.2
86.29503	0.8
91.05482	7.1
93.07050	8.9
94.07400	0.8
95.04981	4.0
95.08616	8.2
96.08955	1.5
97.02894	2.3
97.06548	1.5
97.10177	13.7
98.06044	0.7
98.20689	1.6
101.05949	0.6
105.07052	7.2
107.04944	3.0
107.08598	9.5
109.06538	1.6
109.10181	3.9
111.08040	0.8
117.07031	3.3
119.04926	1.1
119.08562	6.3
121.06516	1.9
121.10146	3.1
123.08063	2.7
123.11704	1.4
125.05981	0.8
125.08764	0.9
125.09650	13.5
127.79403	0.7
129.06984	1.3
131.08588	5.3
133.06487	1.8
133.10092	2.3
134.07246	0.9
135.08081	4.0
135.11707	1.6
137.09581	1.2
143.08553	1.7
145.10175	3.8
147.08043	2.9
147.11662	1.6
149.09526	1.1
153.09116	1.8
157.10178	1.1
157.12227	1.2
159.11612	0.7
161.09605	2.3
163.11212	1.1
165.09090	1.0
175.11189	1.0
177.16493	0.7
181.12251	0.9
189.11252	0.8
203.12775	7.5
223.13327	11.5
237.14865	1.8
240.06937	0.9
263.22665	1.0
273.18521	8.4
291.19568	100.0
305.21124	16.1
323.21967	0.9
323.27966	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
62.16043	2.9
70.31801	6.2
78.16122	3.2
88.87032	2.9
92.49452	3.3
103.09464	3.5
163.14484	3.4
323.07388	100.0
327.21170	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	323.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.4
57.03418	2.5
59.60662	1.1
61.02913	1.5
61.11098	1.0
66.58748	1.0
67.05502	2.0
70.06582	1.3
71.05040	1.1
71.54877	1.2
73.31799	1.1
79.05490	2.6
81.03401	1.8
81.07061	2.0
83.04996	1.6
85.02917	1.9
91.05486	10.7
92.59200	1.1
93.07077	1.2
95.04968	2.3
95.08602	1.4
97.06513	1.2
103.05476	4.2
105.03389	9.0
105.07037	13.6
107.04958	36.6
107.08595	1.4
109.02900	2.2
111.34605	1.0
115.05463	4.4
117.07018	1.8
119.04942	23.1
119.08617	1.3
121.02861	3.5
121.06480	1.4
123.04417	4.8
131.04932	25.8
133.01851	2.0
133.02852	33.3
133.06497	38.0
133.10133	2.5
134.06006	1.3
135.04445	8.9
136.07587	1.3
137.06026	1.5
145.02901	1.7
145.06485	3.2
145.10039	1.1
147.04411	92.7
147.78348	1.0
148.68260	1.1
149.05954	11.2
150.05490	1.0
157.06543	2.0
159.04454	8.2
159.11922	1.2
161.02348	22.8
161.05983	52.6
165.05482	1.8
171.04413	13.2
171.05612	3.2
173.05968	3.2
175.03865	1.4
177.05440	5.5
179.03383	11.1
184.47517	1.0
187.03914	21.6
189.05470	80.4
199.03917	23.3
205.04948	5.7
215.03313	1.2
217.04958	100.0
235.05995	3.3
245.04361	3.1
259.06070	2.0
263.05511	98.2
273.68414	1.1
305.06635	2.9
305.15063	1.4
323.07928	2.0
323.12671	2.3
323.16217	4.0
325.25009	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2742
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
51.31963	0.5
53.03961	0.6
55.01867	0.5
55.05313	0.4
55.05518	5.1
56.05836	0.5
57.07072	0.8
57.22480	0.4
58.82556	0.4
60.04532	0.7
62.06096	100.0
65.03930	0.5
67.05512	18.6
68.05835	1.4
69.06763	0.4
69.07084	4.4
71.05013	0.5
73.02905	0.5
79.05067	0.8
79.05499	11.7
79.47595	0.5
80.05807	1.0
81.07063	19.8
82.07397	1.3
83.04985	1.0
83.08641	2.8
85.06531	1.0
91.04977	0.6
91.05489	6.1
93.07053	14.6
94.07402	1.3
95.04955	0.9
95.08617	14.2
96.08938	1.2
97.06522	1.6
97.10161	1.7
105.07027	4.1
106.07351	0.7
107.08601	7.9
108.08912	0.8
109.06510	0.7
109.10156	6.5
117.07019	1.8
119.08578	2.2
121.10168	6.6
122.10477	1.2
123.11696	2.6
131.08591	2.6
133.10175	2.6
134.10469	1.0
135.11719	4.7
136.12027	1.0
137.09605	0.8
137.13188	1.2
145.10124	2.1
147.11697	1.3
149.13248	1.7
150.13539	0.6
151.14771	1.1
159.11713	1.5
161.13264	1.3
163.14868	2.3
173.13316	1.7
174.13687	0.5
175.14742	0.6
177.16368	1.4
191.14294	0.6
200.16507	0.9
212.16325	0.6
243.21080	1.6
244.21379	0.6
256.22528	0.5
261.22226	3.9
262.22476	2.9
280.23483	1.3
291.19571	3.5
304.23325	0.7
304.26563	2.5
305.21561	0.8
305.24649	2.3
322.24390	3.6
322.27420	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
56.05034	0.6
57.03430	1.2
57.12829	0.4
58.06582	1.1
58.42585	0.4
59.25579	0.4
61.02929	0.6
63.50718	0.4
67.05500	1.0
69.03426	1.0
69.07059	1.7
70.06601	0.9
71.01354	0.6
71.04951	0.6
71.54845	0.5
71.55265	0.6
72.08153	0.5
79.05115	0.5
79.05501	5.3
81.07060	2.7
84.04500	7.3
85.02907	23.0
87.04454	0.5
91.05482	2.4
93.07040	0.8
96.08141	1.3
97.02908	1.2
97.06542	7.3
102.05549	2.9
105.07028	1.9
107.08603	0.6
108.08118	0.9
109.06516	0.4
110.09331	0.4
113.02335	0.5
117.07030	1.5
119.08588	6.0
120.08096	1.5
121.06516	0.8
124.07583	1.1
125.05988	11.5
125.09654	0.6
129.07007	2.4
130.05025	0.6
131.03398	1.5
131.08499	0.6
133.06488	1.1
134.09621	1.7
136.07585	1.5
142.07712	0.6
142.08650	0.5
143.07048	16.9
145.08893	0.9
146.09657	1.0
147.08112	1.1
147.11649	1.1
148.07600	0.5
148.11201	1.2
157.10161	1.7
158.09590	0.6
160.07559	0.8
160.13310	0.5
162.09109	3.2
167.07085	0.6
174.12793	1.7
175.11154	2.1
176.10732	1.4
177.05585	0.5
190.12263	1.3
191.13087	1.7
192.13840	9.6
202.15837	0.5
209.16931	0.5
230.15425	2.0
255.08707	0.9
258.14963	0.9
276.15939	1.2
304.15375	1.8
322.16489	100.0
323.16754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63312	1.2
55.01865	3.9
55.05514	3.6
57.03442	6.3
62.76988	1.2
67.05498	4.9
69.03410	4.6
69.07068	4.0
69.53859	2.5
69.54269	5.7
71.01353	1.5
79.05495	15.0
81.03417	2.4
81.07063	27.8
83.04988	1.6
85.02901	4.9
91.05479	9.0
93.07040	6.3
95.01321	9.3
95.04953	4.9
97.06533	13.8
103.05433	1.5
105.07001	2.5
107.05000	3.0
109.02872	1.2
109.06516	18.8
111.04410	2.7
111.08105	2.0
113.02370	3.0
117.07034	3.0
119.04930	3.6
119.08591	6.8
121.06514	3.1
123.04408	1.5
123.08050	2.3
125.05994	1.6
129.06981	2.2
131.03822	1.3
131.08562	3.0
133.06465	1.6
135.08052	4.0
137.05980	5.0
139.03943	7.0
139.07504	2.0
141.01846	2.4
141.05428	2.6
145.06479	1.6
147.08037	7.5
149.05981	3.9
151.07536	1.4
153.05568	1.4
155.06999	3.0
159.02896	2.5
163.07608	7.1
165.09134	15.4
167.07013	3.0
173.04466	1.5
175.07550	3.1
181.08588	6.2
183.10149	2.8
191.07065	3.7
193.08615	18.8
197.04443	3.5
199.09645	10.6
209.08066	10.2
211.09709	12.2
219.06616	1.6
227.09120	7.9
237.07591	5.7
242.42644	1.5
255.08653	100.0
269.10141	1.9
273.09653	10.8
287.11227	2.0
322.15146	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	322.165
Annotation	3alpha-(3,4,5-Trimethoxybenzoyloxy)nortropane
Peak:m/z	Relative Intensity
53.48257	0.4
55.01856	0.7
55.05507	0.7
56.05034	1.0
57.03430	1.9
58.06593	0.6
58.49118	0.5
65.26685	0.5
67.05480	1.2
68.05031	0.5
70.06585	1.1
71.55369	0.7
72.08145	0.6
73.89124	0.5
79.05504	3.4
81.03423	0.6
81.07055	1.6
82.06585	0.5
84.04509	7.6
84.08184	0.5
85.02907	21.9
90.75018	0.5
91.05486	2.4
93.07037	1.3
94.06580	0.8
95.04984	0.6
95.08604	1.0
96.08137	1.8
96.08900	0.6
102.05543	2.8
105.07043	2.6
107.08600	1.2
108.08078	0.6
109.08910	0.7
113.02392	1.0
117.07018	1.5
119.08584	7.0
120.08109	1.3
121.08900	1.1
124.07558	1.2
125.09622	0.6
128.06221	0.5
129.06996	2.9
131.03381	1.2
131.08607	0.7
133.06493	0.7
133.10117	0.5
134.09628	2.3
135.10391	0.5
136.06161	1.4
136.07587	1.5
142.06572	1.1
142.07671	0.9
144.08063	0.8
145.06483	0.5
145.08875	2.6
145.09900	0.7
146.09666	0.9
147.04414	1.7
147.08028	1.0
147.11685	1.9
148.04767	1.5
148.07617	0.9
148.11275	0.5
157.10129	2.1
158.09616	0.9
159.10420	0.7
160.07544	2.0
162.09171	3.6
162.12816	0.6
170.08183	0.7
172.11163	0.8
173.12093	0.8
174.09090	1.2
174.12764	3.5
175.11191	2.1
176.04326	0.6
176.10675	1.0
188.10715	1.0
190.12312	1.5
191.13011	2.0
192.13841	12.4
199.09798	0.6
202.08652	0.7
202.12265	0.6
203.03415	2.0
204.03754	6.6
216.03720	0.9
216.10220	1.6
230.11798	1.9
230.15442	2.2
234.11389	0.6
234.13614	0.8
244.09769	1.2
249.43092	0.6
258.04828	0.7
258.11215	1.2
258.15015	0.8
262.04297	2.1
262.10724	1.2
276.12372	1.8
276.15817	1.2
294.22113	0.7
304.11798	7.6
304.15427	2.0
322.12973	7.9
322.16476	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01856	4.6
55.05508	3.5
57.03425	6.6
62.03176	1.3
65.03930	1.9
67.05491	5.9
67.71541	1.6
69.03423	8.2
69.07057	5.5
69.31724	3.9
69.32144	9.3
70.06586	2.9
75.48626	1.3
79.05493	19.8
79.45678	1.4
81.03418	2.3
81.07060	26.4
83.04960	3.6
85.02897	5.6
85.06516	1.9
91.05476	7.2
93.07034	6.3
95.01320	9.1
95.04963	7.4
95.08629	3.0
97.02878	1.7
97.06535	14.6
99.08092	1.6
100.07610	3.1
105.07021	2.9
107.04942	3.8
107.08556	3.4
109.06509	21.6
109.10133	2.0
111.04501	2.2
113.02366	1.7
117.07010	2.3
119.04911	3.1
119.08581	9.8
121.02913	1.8
121.06475	2.6
123.08094	2.7
125.05975	3.2
127.07531	1.9
129.07001	2.3
131.08553	4.9
133.06505	1.9
135.08061	2.2
137.05956	4.8
139.03903	7.4
139.07524	2.9
141.01842	2.0
141.05496	2.5
141.23589	1.5
147.08064	10.2
149.05949	1.6
150.12769	5.8
155.07014	5.2
161.97673	1.6
163.07561	9.3
165.09096	18.1
173.04568	1.6
175.07552	3.7
175.66376	1.4
180.10123	1.7
181.08612	5.4
183.10147	3.4
191.06979	2.6
193.08591	18.8
195.12558	7.2
197.04439	4.8
199.09587	5.2
201.03902	1.8
209.08124	6.0
209.72409	1.6
211.09669	11.2
227.09120	4.5
237.07452	5.4
255.08633	100.0
273.09622	3.6
290.12396	8.2
322.15179	2.9
322.20035	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	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.6
55.05501	5.4
56.11913	1.4
57.03436	3.4
63.37608	1.1
65.03953	1.2
67.05505	4.1
69.03437	6.7
69.07063	4.1
70.87903	2.1
70.88234	1.7
71.01369	1.8
79.05498	14.3
81.03446	1.3
81.07066	18.0
83.04978	2.8
85.02914	7.1
87.04439	1.3
91.05474	7.8
93.03405	1.8
93.07050	5.5
95.01350	9.5
95.04969	4.4
95.08588	1.9
97.06536	17.0
99.04472	1.3
100.07608	1.3
105.07034	4.3
107.04970	4.9
107.08587	3.2
109.06528	10.7
111.00758	1.7
111.04423	2.6
113.02374	3.4
116.10729	2.8
117.07027	3.8
119.04942	3.8
119.08594	7.8
121.06494	4.8
123.04433	4.3
123.08082	2.0
125.05965	3.1
130.08612	1.7
131.08644	1.5
133.06487	1.9
135.04436	1.7
135.08052	3.8
137.05975	5.3
139.03897	7.6
139.07579	1.9
141.01828	2.9
141.05444	1.8
143.07008	1.3
145.06502	1.8
147.04408	2.0
147.08034	7.7
149.05966	4.5
151.03917	2.2
151.07597	2.0
155.06995	1.8
162.11542	1.3
163.07544	7.5
165.05417	1.7
165.09146	15.9
167.07028	2.5
173.04474	1.6
175.07559	2.6
177.05424	2.2
181.07196	1.4
181.08615	7.0
183.10196	7.8
191.07080	2.8
193.08636	17.4
197.04488	6.2
199.09521	1.6
209.08134	7.1
211.09651	17.8
219.06461	2.2
225.07568	4.6
227.09143	4.6
237.07625	7.2
255.08664	100.0
257.53711	1.3
273.09677	24.3
290.12445	4.6
322.15201	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	322.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75862	0.4
55.05498	1.5
56.05028	2.7
58.99597	1.0
62.99071	0.5
67.05515	2.1
69.32245	3.2
70.06590	1.3
71.05003	0.5
72.08154	0.8
79.05490	2.7
81.07056	1.5
82.06596	1.0
83.04980	0.5
85.01137	0.5
85.02914	0.6
87.02711	0.5
91.05481	2.8
93.07028	3.4
95.04974	0.6
95.08610	2.3
96.08161	0.5
97.01117	0.5
97.06551	0.7
98.21476	0.8
99.02647	0.4
100.07620	100.0
101.04246	27.1
101.06009	4.2
102.96772	0.6
104.98312	1.8
105.07048	1.1
107.08608	0.6
110.29167	0.4
110.58904	0.4
113.04212	0.4
115.05812	0.7
118.08665	3.2
119.08551	0.7
120.08140	0.5
121.06502	2.2
122.06053	0.5
123.04431	0.5
123.08076	0.5
124.07603	2.9
125.04224	1.4
127.05775	3.8
136.07545	0.5
150.05470	0.8
153.03687	0.6
159.03008	1.4
165.09201	0.5
177.04039	23.6
183.10402	0.4
187.02452	3.8
204.05147	1.1
205.03525	19.5
240.15984	1.1
255.08794	0.7
304.10303	8.1
322.11469	13.4
322.16293	1.2
322.19867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2426
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
53.03934	2.2
55.01886	2.2
55.05514	18.4
57.07067	7.1
67.05170	3.2
67.05509	46.9
69.03426	3.7
69.07074	39.0
70.43170	3.5
70.43547	3.6
71.04992	2.2
79.05492	23.7
81.07062	100.0
83.04993	1.7
83.08624	11.2
87.04473	3.0
91.05478	14.8
93.07047	40.4
95.04978	6.4
95.08611	88.4
97.06526	4.5
97.10169	7.5
98.20845	2.3
105.07028	24.4
107.08601	56.6
109.02936	1.8
109.06515	6.2
109.10165	77.5
111.04439	2.3
111.08074	3.2
111.11725	4.4
115.03926	2.2
119.08594	23.3
121.10159	32.3
123.08061	1.9
123.11710	32.4
125.06009	4.2
127.03916	2.3
131.08595	4.7
131.42509	1.7
133.10130	24.1
135.08090	4.0
135.11703	30.8
137.13254	33.6
139.07541	3.4
145.10150	7.7
147.11708	15.3
149.09633	2.2
149.13261	9.8
151.07558	3.2
151.11191	3.1
153.09097	1.8
159.11699	7.3
161.09616	4.2
161.13264	10.1
163.14803	5.4
165.09157	1.8
167.10637	2.2
169.08615	3.2
173.13295	5.1
175.11186	2.8
175.14841	9.1
177.09096	1.9
177.16409	4.3
179.10614	2.8
181.12303	2.1
187.14848	6.0
189.16379	2.5
191.17958	3.6
193.12210	4.1
201.16364	6.2
203.18005	8.5
207.13750	1.8
211.14726	1.8
229.15904	1.9
243.21080	2.4
247.16895	2.5
257.22705	7.3
285.22073	2.3
303.23291	8.2
321.24225	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	321.2426
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
53.03949	1.8
55.01884	2.9
55.05517	11.4
56.36552	0.6
56.46477	0.6
57.07084	3.4
59.04998	1.0
63.56903	0.6
65.03956	0.9
65.23931	0.5
67.05511	28.2
69.03437	4.6
69.07070	16.8
69.33276	3.8
70.06597	0.7
71.04999	2.8
79.05500	19.9
81.03451	0.8
81.07064	100.0
82.07430	1.1
83.04990	1.8
83.08637	5.2
83.45966	0.6
85.02911	1.5
85.06536	2.0
87.04478	1.7
91.05484	10.3
93.07053	34.2
95.04971	4.2
95.08615	76.8
97.06544	4.6
97.10182	4.6
98.21481	1.1
99.04507	1.1
99.08089	0.7
105.07037	16.7
107.04954	0.8
107.08605	42.8
109.02891	1.6
109.06514	4.1
109.10168	48.5
111.04461	4.4
111.08078	3.4
111.11727	2.1
113.02377	0.6
113.06003	1.0
115.03925	1.2
117.07011	1.4
119.06072	0.8
119.08594	19.4
121.06529	2.3
121.10149	26.6
123.08091	2.1
123.11715	16.6
125.06010	7.9
125.09633	3.1
129.07097	0.7
131.08580	4.0
133.09131	0.6
133.10146	14.0
135.08064	2.7
135.11702	22.1
137.09586	2.1
137.13263	11.5
139.07555	2.2
139.11212	1.6
139.81274	0.6
143.06996	0.7
143.08566	0.9
145.10147	5.6
147.08101	0.9
147.11697	10.7
149.09612	1.3
149.13274	8.7
151.07581	1.3
151.11179	2.6
151.14792	1.0
153.09102	2.7
153.12769	0.6
157.10153	1.7
159.08105	0.9
159.11665	4.4
161.09648	2.9
161.13257	7.8
163.11188	2.3
163.14851	2.9
165.09099	4.4
165.12727	1.2
167.10683	2.6
169.08717	0.7
171.11678	1.3
173.13283	4.7
175.11156	1.4
175.14832	5.1
177.12764	1.8
177.16454	2.7
179.10709	2.4
181.12189	1.4
185.13251	1.0
187.14816	4.0
189.12852	0.7
189.16412	2.4
190.95612	0.6
191.17964	2.1
193.12279	2.4
195.13664	1.0
195.17497	1.6
201.16435	2.2
203.14391	1.0
203.18027	3.7
205.12090	0.7
205.15930	1.0
207.13808	2.0
211.16963	0.7
215.18115	0.9
221.15332	1.4
223.16963	2.0
229.15886	1.0
233.15414	0.8
239.16417	2.0
243.17368	0.8
243.21062	1.6
247.16925	1.8
257.22672	4.9
267.20874	0.9
275.23755	1.3
285.22232	3.3
289.08609	0.9
293.24863	1.2
303.23190	19.2
304.23306	0.6
321.11163	1.3
321.18332	1.6
321.24243	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2427
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
53.03966	0.7
55.01884	0.7
55.05515	5.0
57.03427	0.6
57.07076	3.7
62.16821	0.5
67.05511	6.0
69.03421	0.8
69.07078	5.1
71.05000	1.3
71.08628	1.7
79.05496	5.3
81.03410	2.1
81.07062	9.0
83.04995	1.4
83.08616	3.1
85.06548	1.7
88.17918	0.6
91.05481	3.7
91.79298	0.6
93.07050	6.7
95.04969	2.6
95.08603	10.5
95.35963	0.7
97.06532	1.3
97.10191	1.3
99.08065	1.3
105.07037	4.4
107.04940	0.8
107.08592	5.5
109.06525	15.1
109.10153	3.1
111.08086	1.6
112.99984	0.8
117.07025	1.4
119.08598	4.9
121.06532	1.1
121.10146	4.6
122.07301	1.3
123.08076	44.1
123.11707	1.9
129.07056	1.9
131.08578	2.0
133.10139	4.4
135.08081	5.6
135.11693	1.5
137.09621	2.7
138.06708	0.6
139.11206	1.5
142.07806	0.6
143.08580	1.6
145.06516	0.6
145.10162	7.0
147.08092	0.8
147.11713	3.2
149.09642	2.5
149.13225	0.7
151.11150	0.6
155.08537	1.6
156.09383	0.7
157.10167	2.1
159.11702	3.1
161.09654	1.1
161.13260	3.1
165.12837	0.8
167.14374	0.7
169.02673	0.9
169.10130	0.9
170.10915	0.9
171.11725	2.3
173.13319	1.0
175.11177	1.3
179.14323	63.1
183.11742	1.4
185.13284	1.4
187.14859	1.7
189.16310	0.7
193.15898	1.9
193.63396	0.6
197.13255	1.5
199.11272	0.7
199.14755	0.9
205.15851	1.2
211.14795	1.2
213.16338	1.0
219.17621	0.8
225.16359	0.6
227.17941	1.9
249.12686	0.6
261.22195	0.8
265.15445	0.9
265.18039	10.8
277.15790	1.5
279.17346	0.7
289.17892	0.8
291.17419	2.1
302.56757	0.7
303.23254	3.7
306.19662	3.3
321.24600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2427
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
53.03940	6.0
54.82513	2.1
55.01876	4.4
55.05512	31.5
57.07084	15.6
61.02925	4.5
65.03946	3.5
67.05511	83.2
69.07076	34.3
70.24390	8.5
71.04995	6.2
71.08611	5.7
79.05499	67.9
81.06583	5.1
81.07065	100.0
83.08630	26.7
85.06557	5.4
85.10189	4.8
91.05485	40.1
93.07052	97.1
95.04972	6.2
95.08617	78.6
97.06546	14.9
97.10177	14.5
99.08107	3.7
105.04548	2.3
105.07043	25.4
107.04951	3.1
107.08605	60.6
109.06541	6.4
109.10152	29.7
111.08109	6.8
111.11718	4.3
113.09708	4.9
113.56468	2.1
115.07559	2.4
117.07033	9.3
119.08595	24.3
120.59393	2.6
121.06538	4.6
121.10159	70.3
123.08063	4.9
123.11729	12.8
125.06035	2.6
125.09624	4.1
131.08600	17.1
133.10146	21.9
135.08061	5.4
135.11717	34.4
137.09581	3.7
137.13293	4.1
139.07536	19.5
139.11179	2.5
145.10130	19.0
147.11710	21.5
149.09593	3.9
149.13272	22.5
151.11226	3.8
151.14827	2.4
153.09114	7.5
159.11713	12.2
161.13293	18.2
163.11214	6.2
163.14830	10.1
165.12752	6.1
165.16330	4.1
167.10666	4.9
169.10182	2.2
173.13263	14.1
175.14806	5.9
177.12776	5.1
177.16408	6.8
179.14259	3.3
181.12244	4.2
187.14857	6.6
190.61655	2.2
191.14357	3.4
191.17931	2.6
195.13840	3.7
196.65851	2.1
201.16385	2.8
205.15877	3.7
209.15317	3.7
243.21089	14.0
249.37811	3.0
261.22183	59.0
261.25439	4.1
279.23328	18.8
293.56421	2.5
303.23181	20.3
303.26443	3.7
321.24298	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	321.1543
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
54.52298	2.5
55.05495	3.4
59.96292	2.1
65.09286	2.4
67.05515	12.2
69.61536	16.0
81.07038	11.5
85.02899	11.7
93.07082	3.9
95.08611	62.2
97.02881	3.8
97.05554	2.5
97.06556	2.9
98.20809	5.1
99.08088	24.4
100.02341	2.5
105.07053	2.4
105.78759	2.2
113.09650	14.9
114.10607	2.4
116.44323	2.4
123.08073	39.9
134.05936	3.4
135.64626	2.8
141.09113	94.3
159.10179	100.0
164.07074	5.1
203.03333	4.1
295.74591	3.1
303.13361	8.4
321.14444	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	321.2425
Annotation	11,12-EET
Peak:m/z	Relative Intensity
53.03940	2.1
55.01866	2.7
55.05511	10.4
55.06170	1.1
56.88587	0.9
57.07063	2.8
57.69511	0.8
59.04992	1.1
65.03927	1.5
66.65047	0.9
67.05507	28.3
69.03416	4.1
69.07069	16.1
70.06590	1.3
70.16370	3.7
71.04982	3.7
71.08630	0.8
79.05498	19.7
81.03419	3.1
81.07059	100.0
83.04993	1.7
83.08613	6.3
85.02931	1.0
85.06541	2.1
91.05479	10.9
91.20712	0.9
93.06475	1.7
93.07049	32.2
95.04999	4.9
95.08611	69.1
97.06535	4.9
97.10178	4.8
99.04426	1.8
105.07037	15.8
107.08599	39.8
108.98011	1.0
109.02876	5.1
109.06503	3.2
109.10160	48.9
111.04428	5.2
111.08076	1.5
111.11728	2.0
113.02349	1.2
117.07030	1.6
119.07807	1.5
119.08591	17.5
119.09418	0.7
121.06496	2.5
121.10147	31.1
121.86237	0.9
123.08099	2.5
123.11706	17.5
125.05992	8.5
125.09635	3.3
129.63570	0.9
131.08578	4.2
133.10123	11.2
135.08029	2.5
135.11691	23.2
137.09633	1.4
137.13252	11.8
139.03748	1.0
139.07538	2.9
139.11159	1.3
143.08530	2.1
145.10118	4.0
147.08046	1.4
147.11676	12.5
149.09608	3.6
149.13266	8.2
150.09142	0.9
151.07549	1.7
151.11203	1.3
153.09113	4.2
157.10320	1.2
159.11687	3.9
161.09654	2.7
161.13243	6.3
163.11191	2.6
163.14832	4.0
165.09081	1.6
167.10759	1.8
171.11647	1.3
171.93222	1.0
173.13203	4.9
175.11166	2.9
175.14847	5.1
177.16367	3.5
179.10666	3.0
181.12257	1.8
187.14836	4.0
189.12755	1.0
189.16327	2.6
191.18027	1.9
193.12193	3.9
195.13855	1.5
201.16362	2.4
203.17989	3.9
207.13742	2.4
213.44704	0.9
215.17842	1.0
221.15456	1.4
223.16861	1.1
229.15804	1.3
239.16397	2.1
243.21164	1.8
247.16959	1.5
257.12909	1.5
257.22635	5.9
267.20981	1.3
278.92670	1.1
285.22089	3.9
293.24680	2.0
303.23206	20.5
304.11859	1.2
321.10934	1.4
321.18558	1.3
321.20648	1.6
321.24255	26.2
334.53503	1.1
343.93176	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1446
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
55.05492	2.9
56.05022	1.2
67.05495	2.5
69.03403	2.0
69.07070	3.5
69.48202	5.1
71.04996	1.1
79.05486	1.2
81.03406	1.7
81.07041	2.1
83.04964	1.1
85.02895	2.5
91.05482	1.1
92.58691	0.7
93.07019	0.9
95.08619	9.0
97.02862	1.1
97.05920	0.9
97.06536	16.9
97.10109	0.8
98.06058	1.3
98.21481	1.4
99.04433	1.1
99.08098	1.0
103.37145	0.8
109.02888	3.8
113.06018	3.2
113.09640	4.9
117.05537	4.0
117.33738	0.7
122.06025	3.0
123.08061	2.3
124.07618	1.0
127.03890	2.0
130.05026	1.3
133.07552	1.3
133.10132	2.7
134.06024	1.9
136.07542	2.8
141.05464	5.3
141.09117	19.5
145.05096	0.9
150.05524	1.6
152.07045	4.0
153.01764	0.7
159.06581	0.8
159.10181	16.0
163.08688	2.8
164.07068	2.9
173.10771	2.2
175.08685	1.1
176.09450	0.6
187.08623	4.0
189.08615	1.1
189.10240	15.2
192.13826	0.9
200.09456	3.9
201.08368	1.4
201.10240	28.1
202.10979	2.0
203.11835	2.3
207.06390	1.1
214.11032	1.5
215.08202	2.6
215.11848	1.6
219.07753	0.7
219.25186	0.7
229.09726	7.4
229.13280	5.4
239.11803	1.2
243.11334	0.9
247.10797	8.3
257.08606	0.9
257.12869	10.2
259.14380	2.7
259.17245	0.9
267.11160	1.2
275.10635	0.7
275.13879	1.6
285.12347	42.5
297.25040	0.7
303.10162	1.0
303.13391	26.3
321.14459	100.0
341.00497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.2
54.26898	1.2
55.05520	6.2
55.05747	1.1
56.64142	1.1
57.03424	2.5
61.02906	1.6
67.05511	2.3
69.03423	11.1
69.98649	4.6
71.05000	6.0
73.02901	2.2
75.04475	2.3
79.05482	1.3
81.03419	19.8
81.07043	3.2
85.02376	1.7
85.02902	29.2
85.06543	13.3
87.04432	1.6
88.00250	1.3
89.79717	1.0
91.05483	2.1
93.07017	1.5
95.04960	1.2
95.08572	5.5
97.02890	13.6
97.06526	2.1
99.04457	13.0
103.03940	3.9
107.08607	1.7
109.02122	2.0
109.02885	50.5
113.06010	42.7
117.05496	85.8
122.06010	4.7
127.03921	36.2
131.08421	1.1
141.05466	100.0
141.09113	5.0
145.05006	6.5
147.04456	3.2
150.05484	3.6
152.07040	4.6
159.06548	15.2
159.07921	1.6
159.10155	3.0
161.05975	1.2
167.05370	1.6
177.07608	4.9
180.06520	1.3
187.06035	7.5
205.07080	3.8
218.09969	1.1
233.39534	1.1
243.11258	1.0
267.19778	1.3
270.50125	1.0
285.12170	3.5
303.13083	4.3
321.10629	2.0
321.14581	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	321.0948
Annotation	(-)-Dihydroflustramine C
Peak:m/z	Relative Intensity
51.20403	3.5
57.94445	3.6
69.55816	24.1
85.02916	7.2
101.00947	3.9
112.71568	4.2
116.07078	5.1
141.06570	4.1
176.30592	4.6
184.22279	4.7
195.86021	4.1
207.92412	3.7
227.89729	4.4
321.09296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.2
54.26898	1.2
55.05520	6.2
55.05747	1.1
56.64142	1.1
57.03424	2.5
61.02906	1.6
67.05511	2.3
69.03423	11.1
69.98649	4.6
71.05000	6.0
73.02901	2.2
75.04475	2.3
79.05482	1.3
81.03419	19.8
81.07043	3.2
85.02376	1.7
85.02902	29.2
85.06543	13.3
87.04432	1.6
88.00250	1.3
89.79717	1.0
91.05483	2.1
93.07017	1.5
95.04960	1.2
95.08572	5.5
97.02890	13.6
97.06526	2.1
99.04457	13.0
103.03940	3.9
107.08607	1.7
109.02122	2.0
109.02885	50.5
113.06010	42.7
117.05496	85.8
122.06010	4.7
127.03921	36.2
131.08421	1.1
141.05466	100.0
141.09113	5.0
145.05006	6.5
147.04456	3.2
150.05484	3.6
152.07040	4.6
159.06548	15.2
159.07921	1.6
159.10155	3.0
161.05975	1.2
167.05370	1.6
177.07608	4.9
180.06520	1.3
187.06035	7.5
205.07080	3.8
218.09969	1.1
233.39534	1.1
243.11258	1.0
267.19778	1.3
270.50125	1.0
285.12170	3.5
303.13083	4.3
321.10629	2.0
321.14581	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	320.1492
Annotation	Dihydropiplartine
Peak:m/z	Relative Intensity
51.04185	0.6
55.05503	1.2
57.03446	5.8
67.05486	0.8
69.43764	4.0
71.01353	1.6
79.05493	1.3
81.03425	6.7
81.07047	0.8
83.08613	1.7
85.02913	69.9
89.25021	0.5
91.05471	1.5
91.66801	0.5
93.07032	0.9
95.04960	2.4
97.97478	0.5
98.20728	0.6
103.03950	1.2
106.06601	1.0
107.04978	0.7
109.18310	0.5
111.08087	0.8
113.02401	1.7
115.05414	0.6
117.05727	1.1
118.06542	5.9
119.08578	0.8
120.04506	0.6
120.08136	1.3
121.10116	0.6
129.07072	0.7
130.06534	1.8
131.03445	3.5
131.08574	1.0
132.04420	0.5
132.08115	10.6
133.08875	10.1
134.06085	0.8
134.09616	1.2
140.10757	1.1
144.08144	0.9
146.06021	23.2
146.09691	2.9
147.11719	0.8
148.07558	1.6
156.08264	0.6
157.08807	1.5
157.10080	0.9
158.11789	0.8
160.07585	2.7
161.08374	3.4
162.12753	3.0
172.11201	4.0
175.11188	0.9
190.12286	47.3
193.12241	7.0
230.73950	0.6
260.10995	0.7
262.10916	0.7
263.11533	1.2
267.15942	5.4
276.08722	2.1
279.15961	1.2
281.40979	0.6
285.16922	3.6
302.11938	0.8
320.14960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55358	0.9
53.03952	1.2
55.01866	2.1
55.05505	1.7
56.05032	2.5
56.96562	4.9
57.03428	4.7
57.07079	2.3
58.06591	1.0
59.05009	1.3
60.04528	10.1
61.02917	4.9
67.05508	13.1
69.03427	13.4
69.07070	63.2
69.79287	0.9
70.02953	2.1
70.06599	5.1
71.04981	2.6
71.54157	1.0
71.54547	1.3
72.08154	2.4
72.99764	1.0
73.02917	3.5
74.06083	1.5
79.05488	2.2
81.03397	6.1
81.07063	2.8
83.04980	1.9
84.04488	4.1
84.08148	5.0
84.64767	1.1
84.96012	1.5
85.02908	45.1
85.06536	1.8
86.03244	1.8
86.09704	25.0
87.04462	3.3
87.05599	3.5
91.05474	1.4
93.07053	1.9
95.04978	12.2
96.04614	1.2
97.02898	20.7
97.06528	4.5
98.06049	2.1
98.97584	12.0
99.04459	3.7
103.03958	2.9
105.03385	1.7
109.02881	7.7
110.06013	1.5
110.97564	2.4
111.04464	2.5
112.06826	2.0
112.07610	34.7
113.05992	3.3
114.05515	1.3
116.07107	2.4
116.98591	2.5
120.06579	2.0
122.06053	1.7
123.04415	2.1
125.02362	1.5
126.02689	1.2
126.05524	1.6
127.03911	10.2
128.04279	1.0
128.10725	3.0
128.98589	2.1
130.04982	1.5
132.95824	2.1
134.06084	1.1
135.04387	1.1
137.05992	1.8
138.05539	2.0
140.07063	46.5
141.05472	2.5
145.04971	5.2
147.04373	1.0
152.07051	1.8
154.08592	2.5
155.07129	1.2
156.06480	1.5
157.04945	2.0
158.05360	3.0
158.08125	100.0
158.99585	5.2
159.06642	1.4
163.03976	2.8
166.05164	1.0
167.03542	1.2
173.12871	37.5
175.06161	1.4
177.00671	1.8
182.08144	12.8
188.98473	1.5
189.00644	1.3
198.07660	1.6
200.09172	20.4
201.12363	11.5
206.08141	1.4
215.13930	1.7
216.10100	1.0
219.01788	3.9
224.09149	4.1
234.99088	1.6
237.02885	3.4
266.10312	3.4
273.06430	1.5
278.13034	1.7
279.15842	2.1
302.12540	1.1
302.17050	4.8
303.13181	2.0
320.10742	2.3
320.14447	7.8
321.14374	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	320.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
55.01870	5.7
55.05500	3.1
55.93514	2.0
56.05024	1.7
56.96300	1.2
56.96571	21.9
57.03444	13.8
57.07067	1.1
59.04974	1.4
60.04506	1.2
60.95850	1.1
61.02929	16.5
67.05492	3.2
69.03437	41.1
69.07078	6.8
69.28693	9.6
70.03762	1.8
70.06601	6.1
71.05010	5.2
71.93015	1.1
72.08147	2.5
72.93780	2.6
73.02924	17.1
74.06086	5.8
79.05473	3.3
81.02982	1.3
81.03423	16.3
81.07065	1.6
82.03754	1.9
82.06594	1.0
83.01327	1.5
83.04987	2.5
84.04499	2.9
84.08145	3.3
84.96032	5.0
85.02913	90.2
86.03245	7.0
86.06070	1.8
86.09721	8.5
87.03315	1.6
87.04480	9.9
90.94824	1.6
91.03973	6.1
91.05466	3.1
93.06972	1.2
94.06567	1.4
94.45830	1.1
95.04958	3.6
95.08606	1.3
96.04495	1.4
97.02900	37.2
97.06531	3.1
98.03244	2.4
98.06078	9.5
98.97591	100.0
99.04467	6.3
99.08089	1.5
99.97945	1.3
100.07620	1.7
101.00877	5.5
101.02364	2.0
102.00961	2.6
102.96883	1.9
103.02257	1.3
105.03403	3.6
107.04948	2.3
109.02883	11.5
110.06059	11.6
110.07159	1.6
110.96825	1.9
110.97574	28.7
111.04442	3.9
112.07603	1.9
112.99102	2.5
113.00861	1.9
114.00946	1.2
115.03965	1.5
116.07104	11.0
116.98633	34.0
119.01919	8.9
119.04955	2.9
120.02023	3.3
121.01627	2.4
122.06009	2.1
123.04440	2.2
124.99173	2.0
125.05981	2.4
126.14966	1.1
127.00722	1.7
127.03934	24.6
128.04263	3.1
128.98628	23.0
130.04967	1.3
131.00156	5.1
131.01878	5.0
131.95061	1.7
131.96107	2.2
132.02020	1.9
133.01601	2.2
133.03387	2.5
134.99655	9.9
135.04442	1.8
137.05931	3.1
138.05513	2.6
139.00775	1.5
139.05963	1.2
140.00188	2.5
140.02306	2.4
140.07059	11.5
141.05521	6.3
141.06429	1.1
142.12253	1.2
143.00186	7.1
143.01895	6.1
143.11823	1.2
144.02048	4.3
144.95827	3.3
144.98119	1.8
145.01663	4.2
145.03432	5.0
145.04939	13.4
145.06856	1.3
146.03568	1.7
146.05229	1.9
146.08104	1.7
146.99692	7.9
147.03241	1.7
147.04399	6.5
148.04817	1.7
149.96068	1.7
153.54105	2.1
154.01834	2.3
155.00075	1.3
155.01849	5.6
155.04616	1.8
156.02054	3.0
156.06522	1.3
157.01657	3.4
157.03458	3.3
158.01230	1.3
158.03706	2.0
158.07010	1.9
158.08131	15.0
158.97527	1.6
158.99663	37.4
159.03233	1.6
159.04863	2.1
159.06554	2.0
161.01215	4.5
161.03001	6.4
161.04205	1.0
161.09239	1.6
162.03070	3.3
162.96750	1.2
162.99091	2.2
163.02701	2.8
163.04263	1.0
165.00690	1.3
167.03777	1.1
167.05553	1.1
167.54475	3.5
168.02248	1.4
168.05464	2.0
169.03427	1.9
169.96642	2.0
170.99664	13.5
171.98204	4.4
172.02777	3.6
173.01514	1.3
173.02977	7.1
174.03127	5.0
174.54616	3.0
174.99095	1.5
175.02718	4.1
175.04466	3.3
176.00952	1.5
176.04625	1.3
176.54863	1.6
177.00726	35.9
177.04042	1.9
177.05592	2.0
179.02029	1.3
182.99686	1.6
183.05051	2.1
183.55148	2.0
184.04939	5.6
185.01375	1.7
185.02994	4.0
186.03105	3.3
186.96907	1.2
187.02705	3.4
187.04420	2.3
187.14417	10.8
187.97620	2.9
188.99016	1.6
189.00729	30.8
189.08769	2.3
189.99199	3.9
190.03777	1.6
191.02313	1.4
191.03905	1.9
193.05501	1.9
193.55380	1.4
193.98586	1.3
195.01772	3.1
197.01216	1.4
197.02953	1.9
198.03268	1.4
199.02745	2.6
199.98831	2.1
200.12747	1.3
201.00658	3.6
201.02365	1.4
203.02286	2.3
203.04012	3.6
204.04156	2.6
205.03806	2.7
207.01802	17.1
208.04959	4.0
211.02660	1.3
214.03969	1.1
215.13889	3.0
215.97104	2.3
217.03731	1.7
218.01958	2.7
219.01772	23.3
219.03677	2.2
220.02173	3.0
221.05093	5.8
222.05222	4.5
223.04924	3.4
229.06274	2.8
229.56523	12.1
230.04372	2.6
230.06477	5.6
233.99400	1.3
234.99016	5.2
235.04710	1.4
236.03078	1.4
237.02826	26.7
237.05132	2.6
238.03200	3.7
238.06772	1.5
238.57222	7.1
239.02068	1.3
239.06706	6.1
239.56618	3.6
241.03822	1.8
245.05032	11.4
245.07092	1.3
246.05325	17.2
247.04904	8.1
249.02802	2.5
255.03894	3.7
260.04498	1.8
261.02759	1.8
262.06998	2.3
274.01382	5.6
275.02014	5.5
279.03867	41.1
290.06546	2.5
292.02353	9.6
297.04779	7.8
302.12088	1.9
302.15973	1.5
309.08566	1.4
315.07678	1.1
316.06982	2.4
319.06940	1.7
319.12448	1.9
319.60159	4.3
320.02100	1.7
320.07187	2.3
320.13467	7.5
320.17035	9.3
320.59387	2.0
329.05487	1.6
334.08212	1.9
338.08145	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2633
Annotation	Methyl arachidonate
Peak:m/z	Relative Intensity
51.02383	1.0
53.03928	3.3
55.01871	1.9
55.05514	20.2
57.03437	1.5
57.07068	5.8
59.04993	1.9
65.03951	1.1
67.05510	31.5
69.03410	3.0
69.06728	2.1
69.07072	28.3
69.57184	3.7
69.57594	4.0
71.04973	3.8
71.08620	1.3
79.05495	22.2
80.75642	1.2
81.03398	2.9
81.07063	100.0
83.04967	3.8
83.08623	15.5
85.02882	1.2
85.06541	10.1
91.05483	12.6
93.06487	2.6
93.07050	49.7
95.01338	1.5
95.04971	5.9
95.08614	94.6
97.02914	1.3
97.06538	8.1
97.10178	10.1
98.21485	2.3
99.04477	2.8
99.08106	1.2
100.11247	6.1
101.06024	2.5
105.07041	18.3
107.04957	2.0
107.08601	61.1
108.02156	1.3
109.02859	5.2
109.06541	7.2
109.10165	52.5
111.04437	1.7
111.08053	2.8
111.11750	5.9
113.05991	2.1
117.06982	2.9
119.08596	17.1
121.06470	3.0
121.10155	45.6
123.08015	5.4
123.11718	26.6
125.05982	2.2
125.09609	4.1
125.13247	1.2
127.03889	2.0
127.07561	7.3
129.07021	1.7
131.08629	7.5
133.06494	2.4
133.10144	12.7
135.08058	6.6
135.11705	35.9
137.05952	1.4
137.09605	5.3
137.13257	17.2
139.07518	1.5
140.62946	1.3
141.06996	1.4
141.09018	1.6
143.07014	1.5
143.08582	3.5
145.10112	11.1
147.04427	1.5
147.08063	2.9
147.11696	8.6
149.05974	1.6
149.09607	7.3
149.13272	31.9
151.11119	3.6
151.14836	2.2
153.09119	3.5
155.08426	1.3
157.08733	2.1
157.10123	4.8
159.11725	9.5
161.05937	1.2
161.13281	6.1
163.11180	4.2
163.14842	12.5
165.12717	3.0
165.16345	1.7
167.10706	6.3
171.11656	2.7
173.09695	1.4
173.13274	5.0
175.11159	2.9
175.14851	2.6
177.12715	3.6
177.16365	9.3
179.10617	1.5
179.17993	1.7
181.12265	3.8
183.10045	1.5
185.13330	1.6
187.11153	1.5
187.14815	4.2
189.12729	1.9
189.16370	2.5
191.14238	4.3
191.17946	3.5
193.10342	1.2
193.12154	1.4
195.13757	8.6
199.14815	2.9
201.16368	7.1
203.09155	2.1
203.17903	2.3
205.15802	2.5
205.19505	5.1
207.13721	2.1
209.15343	4.6
215.14191	1.5
216.10550	1.9
219.17484	1.8
221.19011	1.4
223.16858	4.5
227.17703	2.7
228.10132	1.3
237.18433	3.8
245.15248	1.7
249.18469	4.0
256.09619	2.4
259.10858	1.8
259.20721	1.2
259.24164	3.0
263.20004	4.8
273.14954	2.1
273.22189	1.5
283.20560	1.7
283.24170	3.6
294.20709	1.4
301.11462	2.0
301.14346	3.9
301.21619	9.4
301.25223	4.7
302.10141	2.2
305.61246	1.2
318.75674	2.0
319.04529	1.6
319.12576	2.2
319.15903	3.3
319.22647	11.9
319.26257	72.0
321.02982	1.3
343.30661	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2633
Annotation	Methyl arachidonate
Peak:m/z	Relative Intensity
53.03946	2.5
55.01883	0.7
55.05511	9.5
56.96573	0.6
57.07074	2.3
59.62246	0.9
63.36791	0.8
65.03944	1.1
65.53436	0.9
67.05507	24.2
69.07073	14.0
69.87416	3.8
79.05497	15.4
81.07060	100.0
82.07405	1.1
83.04991	2.0
83.08623	7.6
85.06544	10.2
85.17075	0.6
91.05477	5.9
93.07050	36.2
95.04959	1.4
95.08611	75.5
97.06527	2.7
97.10181	5.5
99.04456	1.5
101.06036	1.4
105.07034	7.9
107.08601	33.8
109.06532	5.2
109.10159	42.8
111.08099	1.6
111.11716	2.6
115.07579	1.6
119.08597	6.9
121.06496	1.2
121.10144	23.1
123.08060	2.0
123.11713	21.3
127.07559	7.1
131.08597	1.9
133.10124	4.7
135.08090	2.1
135.11697	27.0
137.13257	14.1
139.07518	0.9
143.08600	0.9
145.10130	2.1
147.11739	4.1
149.09682	1.2
149.13271	16.0
151.11172	2.2
151.14822	2.3
153.09070	1.3
153.12691	1.3
155.10628	1.0
159.11714	2.5
161.13277	2.2
163.11200	1.5
163.14862	4.5
165.12761	2.6
165.16460	0.9
167.10657	1.6
173.13329	1.6
175.14783	1.4
177.12750	3.1
177.16402	3.6
179.17865	1.1
181.12276	1.5
187.14720	1.9
189.16331	0.9
191.14420	1.6
191.17935	1.5
195.13817	5.2
201.16377	1.1
203.18050	1.0
205.15881	1.8
205.19502	2.3
209.15366	4.3
221.15485	1.0
223.16835	1.6
237.18456	1.6
241.09798	1.2
249.18581	1.3
259.24423	0.8
263.20013	2.0
301.11835	1.2
301.21704	1.3
301.25085	1.9
319.17236	1.5
319.23279	1.8
319.26324	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	319.2633
Annotation	Methyl arachidonate
Peak:m/z	Relative Intensity
51.64746	1.3
53.03942	1.8
55.05512	12.2
57.07076	4.9
60.09050	0.9
67.05181	1.6
67.05509	22.4
69.06731	1.5
69.07069	18.3
69.28103	0.9
69.77322	5.3
71.04993	1.9
71.08630	1.4
79.05499	13.6
81.07061	100.0
83.04967	2.0
83.08625	7.0
85.06544	9.5
91.05478	7.8
91.60489	0.9
93.07045	34.4
95.04926	1.4
95.08611	69.9
97.06516	1.7
97.10168	3.7
98.97583	1.3
99.04456	1.1
101.06003	1.7
105.03347	1.1
105.07045	8.6
107.07866	1.8
107.08596	37.5
109.06547	5.4
109.10159	48.7
111.08082	1.6
111.11717	1.5
115.07573	1.5
119.08575	6.5
121.10145	23.8
123.08064	2.6
123.11714	29.6
127.07556	7.3
131.08473	1.7
133.10112	4.0
135.08055	1.8
135.11699	28.9
137.09628	1.3
137.13264	44.5
141.09096	1.5
145.10173	2.1
147.11676	5.0
147.84837	1.2
149.09596	2.9
149.13271	20.8
151.11151	2.0
151.14774	2.0
153.09070	1.2
159.11697	2.2
161.13239	2.5
163.11230	1.8
163.14796	3.7
165.12811	1.7
167.10661	3.4
168.11546	0.9
169.10168	1.0
177.12766	2.4
177.16379	3.9
181.12241	2.5
185.13257	1.3
189.16409	1.5
191.14346	1.5
191.17992	1.2
195.13797	3.9
201.16464	1.6
203.17978	1.1
205.19485	5.0
209.15385	3.0
223.16934	1.4
237.18456	1.0
245.13278	1.1
245.18980	1.1
249.18582	1.5
260.15692	1.3
263.20047	6.5
301.25092	1.1
304.14536	1.2
319.13446	1.6
319.16806	4.7
319.23105	2.0
319.26303	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	5.5
57.05825	2.4
60.05624	1.9
69.04548	1.3
70.06587	2.3
70.70693	1.5
83.06128	2.8
85.02888	1.3
88.46465	0.8
95.06094	1.7
111.05586	6.1
113.07139	3.9
120.04471	3.1
123.05576	1.0
126.06641	3.8
127.07407	1.0
128.08170	1.0
132.04462	12.2
132.08156	1.6
134.06013	3.7
137.04697	1.4
140.08228	2.7
148.03944	2.3
150.05463	5.1
151.06186	6.4
165.06677	1.7
166.05034	2.9
168.08626	0.7
174.05377	0.8
176.07071	1.6
187.08632	5.0
189.06638	1.3
202.09755	4.2
203.08199	2.9
219.07675	1.3
230.09282	2.1
231.07669	23.3
233.09245	2.3
233.13980	6.7
242.09276	1.9
246.08769	1.5
257.10419	3.8
259.11920	24.9
260.10175	1.5
277.12961	77.1
283.10779	2.5
284.11371	7.6
301.11423	1.0
301.14355	1.6
302.12500	43.5
319.15182	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01872	1.1
55.05503	1.0
57.03432	1.2
57.07072	0.6
59.04998	0.8
61.02921	1.7
61.66546	0.6
62.85169	0.6
67.05498	2.2
69.03429	3.8
69.07079	1.2
70.06583	2.0
71.00757	1.3
71.04986	1.3
71.06919	1.1
72.08160	0.7
73.02920	1.1
79.05496	1.7
81.03416	2.4
81.07050	1.7
83.04987	0.7
83.08615	1.9
85.02905	16.9
85.06544	1.6
87.04435	1.6
91.05491	6.0
93.06470	1.2
93.07047	21.6
95.04954	1.8
95.08609	2.3
95.83492	0.6
97.02896	3.9
97.06536	2.0
98.97543	0.6
99.04458	1.7
105.04547	0.7
109.02888	1.8
109.06535	2.0
111.04462	2.9
111.07362	1.1
111.08088	15.5
118.51916	0.6
121.06527	4.3
121.10182	0.8
127.03913	3.2
127.07538	3.0
129.05511	1.1
137.05949	0.8
139.07542	17.1
140.07054	0.9
145.04959	2.7
156.10187	0.6
157.05020	1.7
157.08609	100.0
175.06041	0.9
190.52222	0.7
233.14027	0.8
255.11299	1.5
259.12012	0.7
277.12939	4.1
283.10904	0.7
301.11874	2.9
302.12469	2.6
319.12488	1.9
319.15277	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.01880	1.6
55.05512	9.8
56.05033	1.5
57.03434	2.7
60.05629	1.2
61.02937	9.6
62.31590	1.2
65.61070	1.1
67.05492	2.0
68.71677	1.3
69.03432	10.8
70.17596	4.2
71.04990	1.9
72.83599	1.2
73.02914	2.1
77.47301	1.1
79.05499	18.7
81.03415	3.9
81.07047	1.3
83.05016	1.8
83.08141	2.4
83.08618	34.1
85.02907	16.2
87.04465	3.3
91.05486	5.2
92.43012	1.2
93.07046	26.9
95.04951	3.3
95.06078	1.4
95.08597	2.1
97.02884	5.5
97.06524	13.1
97.20237	1.2
99.04442	2.9
109.02877	3.9
111.04448	11.8
111.05580	2.7
111.08080	15.0
115.03934	1.7
115.48926	1.3
121.06506	7.6
126.09109	1.6
127.03898	8.5
129.05484	5.6
131.29930	1.3
132.04416	3.7
134.06006	1.5
138.09134	2.0
139.03896	2.1
139.07541	38.5
139.09338	2.6
145.04977	5.1
149.05968	1.6
150.05551	2.9
151.06113	2.9
156.10217	8.8
157.05045	8.5
157.08604	100.0
157.10492	12.3
175.06027	2.9
187.08643	2.2
212.09406	1.2
213.10193	1.5
226.11008	2.4
227.11815	2.7
229.06833	1.3
231.07564	9.1
233.13892	2.4
241.09792	2.1
255.11411	1.7
259.11917	9.1
270.10034	3.1
272.11554	3.9
273.12369	2.2
277.12946	25.3
283.10944	1.3
284.11456	1.7
287.82861	1.5
301.08585	1.2
301.11816	21.9
302.12518	16.2
319.12067	3.1
319.15598	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.132
Annotation	Coumanolignan
Peak:m/z	Relative Intensity
53.03969	0.9
55.01911	0.7
55.05534	1.5
56.05070	2.2
56.63976	0.8
57.03467	1.2
58.29465	0.7
58.99634	2.7
61.01181	0.7
63.58369	0.8
65.03956	1.4
65.07569	0.6
67.05539	2.3
68.05065	1.1
69.03454	1.6
69.07110	2.2
69.46016	4.9
71.05023	1.8
72.08189	1.9
72.40507	0.7
74.00701	2.3
76.02271	2.3
79.05534	3.0
80.05054	1.4
81.03461	1.7
81.07060	5.4
83.05037	0.9
83.08688	0.9
84.04572	1.4
84.08195	1.1
85.01174	2.5
85.02956	2.7
86.00655	21.2
87.02731	1.1
88.02238	1.3
91.05525	1.1
92.05036	2.4
93.07106	2.7
94.06605	0.8
95.08617	3.4
95.65626	0.7
96.08183	2.7
97.01173	0.8
97.02928	1.4
97.06538	3.6
98.09714	4.7
99.04494	0.7
99.08140	0.7
101.04282	1.9
102.05587	1.7
105.07078	2.4
107.08636	0.8
109.02933	1.1
109.08927	0.7
110.09698	1.9
111.04485	1.0
111.08109	1.2
112.04002	1.5
113.04224	9.1
113.06030	0.8
115.07584	1.7
116.01750	1.5
121.06496	0.9
121.10227	1.4
122.09654	3.5
123.08091	2.6
124.07646	1.6
126.09132	3.3
127.03969	1.2
127.05836	0.8
129.07367	5.1
130.06903	1.7
132.04465	0.7
137.06029	0.9
138.05528	1.0
138.09142	1.4
139.05812	2.3
139.07579	1.5
139.11241	1.8
143.02864	1.0
145.05078	0.9
145.10205	0.8
146.02657	0.8
148.03986	2.0
149.06091	0.8
150.05534	1.2
152.07074	10.9
153.01897	0.8
156.08434	72.8
156.10193	5.5
157.08611	3.8
157.12254	2.2
158.09615	0.7
162.02284	0.9
162.05522	1.0
166.05006	18.4
171.09346	0.7
175.08759	0.8
176.03458	2.5
182.04521	3.1
184.07768	0.8
189.03326	1.9
194.04507	2.9
196.70804	0.7
198.08138	0.9
198.09502	18.3
199.08759	1.5
200.10692	1.3
211.08572	0.9
212.09407	1.5
213.10565	4.1
214.08655	1.3
215.11755	1.1
216.07025	2.7
216.10544	100.0
225.10353	1.5
226.09001	1.5
227.08278	1.1
227.11746	3.4
229.09663	1.4
229.13464	0.8
231.07707	1.8
239.07944	0.7
240.08919	2.1
241.09679	1.2
242.08247	0.7
243.11316	3.9
253.09758	2.1
254.10509	0.9
255.11391	5.2
257.12909	1.0
259.11124	41.2
270.10037	1.3
271.10721	5.0
273.12326	9.3
275.13846	1.2
277.12955	5.2
283.10834	16.8
289.12033	3.3
289.14807	0.8
301.11929	24.0
302.12338	2.6
319.04449	2.9
319.12979	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01860	6.4
55.05515	11.2
57.03437	2.5
65.03943	2.6
67.05505	12.4
69.03415	7.3
69.07053	7.3
69.34459	11.3
69.34875	4.2
70.02954	1.9
71.04962	3.8
77.41982	1.7
79.05479	6.8
81.03436	12.3
81.07066	13.6
83.04977	3.1
83.08615	16.0
85.02908	4.2
87.08086	8.0
91.05457	7.4
92.05000	2.6
92.23505	1.7
93.07027	8.7
95.04952	7.9
95.08604	10.3
97.02915	2.9
97.06537	2.3
105.07047	9.4
107.04932	4.3
107.08595	11.1
109.02898	15.8
109.06501	3.2
109.10146	7.4
110.06021	4.1
111.08082	7.4
115.75108	1.8
116.01617	2.0
119.08571	8.7
121.06492	3.0
121.10139	7.3
122.06011	2.0
123.08061	3.2
123.11724	2.2
124.07571	4.8
126.09172	12.7
127.03901	5.1
129.09120	3.1
131.08551	6.3
133.02840	6.5
133.09238	3.3
133.10146	39.4
134.05942	3.1
134.56169	1.9
135.07974	2.1
135.11687	4.0
136.07596	4.5
137.05943	2.1
137.09561	4.7
138.03712	3.9
138.05489	4.4
138.09128	3.2
139.07500	2.3
143.08493	2.9
145.05034	1.9
145.10123	4.2
147.04414	2.5
147.08006	2.4
147.11673	3.7
148.03932	2.4
151.05754	7.4
151.11104	3.9
155.08612	2.0
157.06636	2.2
157.08597	5.2
157.10069	3.3
158.09636	2.8
159.11665	3.7
161.04567	1.7
161.07121	2.1
161.13248	4.5
162.05478	3.8
163.11195	2.2
163.53322	1.9
164.07068	5.4
165.07208	1.9
166.03452	2.6
166.05016	30.5
170.08307	4.4
170.09666	2.4
171.11665	2.8
172.11240	2.6
173.13275	3.4
175.09641	7.6
177.07303	3.5
179.10703	7.5
182.04468	7.7
183.11655	2.2
184.04297	3.5
186.09103	4.3
194.04439	2.3
197.07111	5.7
197.11714	7.1
198.07855	8.9
199.12361	2.2
200.10762	3.4
209.10750	2.9
210.09134	2.7
211.08717	3.3
212.09435	8.0
213.06557	2.7
213.10202	16.4
214.12341	2.9
225.06554	5.1
225.10223	5.1
226.07376	35.7
227.08098	4.3
227.11806	12.4
228.10175	4.0
229.09709	17.1
239.08029	2.4
240.08879	21.1
241.09740	100.0
243.11310	5.7
245.05962	6.3
253.09726	13.0
255.07625	2.1
255.08810	2.3
255.11340	17.3
256.09686	48.0
257.12878	3.7
259.07059	7.2
259.10886	2.6
261.09610	2.2
261.12326	5.3
269.05881	9.2
271.10803	28.8
272.07996	2.8
273.12134	2.9
273.14893	3.4
273.22028	3.1
283.10785	96.3
283.20410	2.5
284.09137	6.8
289.11755	6.8
301.08511	2.7
301.11758	70.0
301.14572	2.7
301.21564	4.7
302.10126	18.7
304.04739	2.1
319.06949	5.4
319.09534	4.0
319.12827	77.0
319.15656	4.8
319.22458	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	319.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
56.05028	1.3
57.03441	3.7
58.85725	0.6
59.04995	2.0
61.02923	1.4
67.05505	1.0
69.03429	8.4
70.78221	0.8
70.78569	1.3
71.01353	1.0
71.04997	2.0
71.93496	0.7
73.02924	2.4
73.08511	0.7
79.05473	0.8
81.03415	2.9
81.03874	0.5
81.07061	0.8
83.04979	2.1
84.04469	0.6
84.08173	0.9
85.02911	20.0
85.06548	1.5
86.09711	0.9
86.57253	0.7
87.04462	6.7
91.03948	0.8
93.07025	0.9
95.08607	0.8
97.02898	3.7
97.06522	1.5
99.04443	3.9
99.08141	0.8
101.06065	0.7
103.86080	0.7
109.02880	4.8
111.04446	13.5
111.05561	0.7
111.08089	1.3
113.05991	1.5
115.03934	0.6
121.10224	0.8
127.03926	8.0
127.07455	0.6
129.05481	7.0
130.06566	0.8
132.04434	1.9
132.95807	1.3
133.10127	1.1
137.05836	0.7
139.03900	2.3
139.07521	0.9
139.11186	1.2
145.04944	3.6
146.55418	0.7
149.05888	0.9
150.05508	0.9
151.06140	1.1
157.04982	11.1
157.07550	0.7
157.08604	6.8
160.11369	0.7
163.03958	1.3
171.09116	1.1
174.96854	0.7
175.06015	5.8
180.64488	0.7
184.09926	2.6
198.07825	1.5
199.06143	0.9
199.08702	2.4
199.12341	2.2
200.10721	1.7
209.10690	1.3
211.08650	1.9
212.09386	3.9
213.10268	3.4
225.10240	2.8
226.10985	9.3
227.11809	13.3
228.10231	4.5
229.07123	1.8
230.09306	1.2
231.07780	4.4
233.13980	0.9
237.84270	0.6
241.09900	0.8
254.10526	3.2
255.11299	10.9
257.10333	0.8
259.11963	3.6
270.10001	20.4
271.10715	2.8
272.11591	13.5
273.12302	8.4
275.83902	0.7
277.12988	12.8
283.08066	1.5
283.10770	10.8
284.11356	1.4
301.11847	100.0
302.12503	8.3
304.90860	0.7
319.12473	39.2
320.13098	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01874	5.8
55.05503	3.7
56.05033	1.9
57.03444	8.9
59.05010	7.7
61.02939	2.5
63.30002	1.2
67.05504	3.5
69.03434	27.7
69.24271	1.0
70.01403	5.6
70.06602	2.0
71.01395	1.1
71.04979	3.6
73.02565	1.4
73.02896	7.7
75.60332	1.2
79.05487	1.9
79.54942	1.1
81.03425	11.6
81.07053	1.8
83.01374	1.3
83.04990	9.2
83.06116	1.4
83.08635	1.9
85.02911	77.1
85.06544	2.4
86.09715	1.4
87.04471	24.7
91.03977	1.7
91.05492	2.1
92.55501	1.0
93.07033	2.7
95.04941	1.4
95.08618	2.8
97.02893	12.2
97.06546	2.2
99.04465	12.9
99.08151	1.5
101.06015	1.3
107.08607	1.8
109.02886	22.4
111.04450	67.1
111.08069	2.5
113.05991	3.2
115.03921	3.6
127.03925	30.1
128.04181	1.3
129.05490	27.8
132.04463	3.9
132.95868	2.0
133.10139	1.4
139.03900	9.1
139.07498	1.7
139.11174	3.4
140.08121	1.2
145.04984	13.4
149.05989	1.5
150.05547	1.9
151.03835	1.2
151.06186	1.6
157.04973	43.5
157.08612	12.6
163.03926	4.1
163.06120	1.8
174.96985	1.2
175.06039	20.2
176.07410	1.2
177.05577	1.9
184.09843	1.4
187.08679	2.4
199.06140	1.4
199.12257	1.6
200.10564	1.3
202.09689	1.5
203.08167	2.6
209.10693	2.1
210.11491	1.7
211.08582	1.8
212.09447	5.1
213.10231	3.1
219.07770	1.2
225.10291	2.0
226.10979	11.4
227.11768	12.1
228.10219	6.0
229.07137	6.9
229.09238	1.3
231.07658	9.8
233.13980	1.4
234.96814	1.2
254.10454	2.7
255.11250	10.1
257.10294	1.8
259.11932	11.8
270.10040	15.4
271.10834	3.3
272.11557	13.3
273.12473	5.7
277.12970	34.0
283.08115	4.6
283.10825	10.3
284.11557	2.9
301.11859	100.0
302.12494	16.7
319.12738	33.9
319.15417	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	319.0789
Annotation	Flustramine C
Peak:m/z	Relative Intensity
56.96558	14.9
68.41217	4.9
69.03429	6.6
70.47295	5.1
71.56320	8.7
76.99538	5.1
82.16465	5.0
89.03465	4.7
98.97589	30.9
101.21524	5.5
110.97571	16.6
119.01791	6.9
128.98669	9.0
158.99588	5.3
213.03384	7.3
219.01851	21.3
220.04156	10.1
229.04674	7.3
237.02750	14.0
259.06641	9.9
301.11884	6.0
319.07593	100.0
319.13528	11.7
337.08044	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	319.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71252	3.0
56.49990	3.3
56.96571	17.6
61.02934	9.0
69.03441	11.5
69.98884	12.0
69.99294	6.4
71.04998	3.2
72.60905	3.8
79.13874	3.1
84.96016	3.7
85.02910	20.8
87.04481	3.6
97.02899	9.9
98.03280	3.2
98.20765	3.9
98.97600	39.5
99.04468	3.1
101.00863	10.3
110.97574	7.4
112.99146	10.9
113.00871	7.3
115.02426	11.8
116.07129	4.4
116.98627	9.6
119.01897	15.4
124.99076	3.2
127.03891	6.0
128.98592	5.3
131.00179	8.6
131.01874	9.3
133.03447	19.4
138.05505	3.6
139.00671	9.0
140.82188	3.7
143.01939	9.5
145.01703	4.3
145.03487	10.9
145.04916	4.0
155.01875	14.5
157.01761	10.8
157.03474	23.2
158.99712	7.5
159.05031	5.0
160.96460	3.2
161.02974	11.5
169.03525	15.2
169.54539	4.2
171.05032	8.7
173.01352	3.1
173.02943	10.7
175.02875	6.0
175.04512	8.9
177.00662	3.0
178.05025	4.5
179.01793	3.1
185.03036	5.1
187.04552	11.9
193.03593	6.4
199.02797	17.8
199.04555	8.1
203.04013	12.3
211.04605	9.0
217.03876	11.8
219.01819	10.8
220.04169	5.0
220.06079	3.8
221.03114	3.6
221.04947	15.5
237.02765	6.9
237.08060	7.7
237.58215	7.7
238.06650	9.5
245.05083	16.6
259.06705	75.9
260.06760	3.7
263.05957	4.8
277.07712	18.5
287.02991	4.0
318.60825	21.3
319.07523	100.0
319.15570	4.1
337.08493	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	319.0448
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01867	0.4
55.05526	0.5
60.26670	0.3
65.03935	0.5
67.05511	0.3
68.99795	3.4
69.03422	0.9
69.07061	0.7
69.07396	0.3
71.08928	0.7
79.01883	0.4
79.05488	0.7
81.03415	0.9
81.07074	0.7
83.04977	0.3
85.02903	0.8
85.06570	0.3
86.00654	0.6
86.09705	0.4
87.10036	0.5
91.05477	0.5
93.07038	0.8
95.08618	0.8
96.08157	0.3
97.02906	0.9
98.09677	0.4
99.08098	0.3
105.03448	0.3
105.07056	0.8
107.04993	0.4
109.02873	2.8
109.06517	0.3
111.00816	4.1
111.04440	1.0
113.04229	0.3
119.01225	0.3
121.02886	0.3
121.06475	1.0
121.10146	0.6
122.09648	0.3
124.07584	0.7
125.02398	0.5
127.03914	0.7
129.07233	0.3
130.04984	0.5
131.04832	0.3
133.02841	0.4
133.06432	0.6
137.02350	4.2
139.03917	0.7
139.11174	0.9
141.20406	0.3
147.04448	0.6
149.02365	0.5
152.07150	0.3
153.01836	21.6
156.08418	2.1
157.12213	0.4
160.58148	0.3
161.06006	0.8
165.01860	6.0
165.05542	0.3
166.02637	1.1
166.05016	1.3
171.04440	0.6
175.03915	0.4
177.05525	1.3
179.03429	2.6
182.04550	0.5
183.02921	1.7
183.04308	0.3
188.04669	0.3
189.01888	0.3
189.05449	2.0
193.01378	0.5
195.02881	1.3
198.09547	0.5
199.03922	0.6
200.10832	0.4
203.03445	0.9
207.02934	0.7
216.10597	1.6
217.04979	7.4
219.02863	0.5
221.04387	0.7
227.03368	0.6
229.05020	0.6
231.02841	0.5
232.03726	0.4
235.02451	0.7
235.05948	0.5
244.03671	0.9
245.04468	8.0
255.02992	1.4
259.10989	2.4
263.05493	1.2
271.10840	0.5
272.03143	0.3
273.03949	7.6
277.13034	0.8
283.10776	1.3
290.04221	1.8
301.03381	1.6
301.11783	2.1
301.14661	0.3
302.12534	0.7
319.04507	100.0
320.04712	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01861	0.5
55.05507	0.6
57.03415	0.7
60.04522	0.7
61.02909	1.4
67.05481	0.4
69.03426	3.8
69.07056	1.6
69.77860	1.6
70.06582	0.9
71.04962	0.4
72.08152	1.1
73.02914	0.5
79.05487	0.7
81.03415	1.3
81.07047	0.7
82.06564	0.8
83.04977	0.9
83.08605	0.9
84.04525	0.4
84.08151	0.6
85.02431	0.7
85.02904	8.4
86.09704	4.4
87.04466	1.3
87.05579	0.5
91.03978	0.8
91.05492	0.6
93.07026	1.9
94.36274	0.3
95.08613	1.5
96.04490	2.8
96.08141	1.8
97.02907	2.9
97.05266	2.0
97.06519	1.2
98.20765	0.6
99.04451	0.9
100.07617	0.9
108.08099	0.4
109.02883	1.4
109.06541	0.6
110.06047	5.5
110.09691	3.1
111.08083	1.2
116.07054	0.4
117.87446	0.3
120.08105	1.0
121.06516	2.8
122.57829	0.3
122.58753	0.4
125.08385	0.5
125.69823	0.3
126.08307	0.6
126.09160	7.3
127.03930	1.9
128.10706	0.8
138.05489	1.2
138.09143	19.6
139.07555	2.0
145.04955	1.3
156.06596	1.4
156.10201	100.0
157.08626	1.6
159.11319	0.9
168.10199	1.3
170.06020	0.4
173.12849	3.5
180.10202	0.5
198.11169	0.5
201.12334	1.6
277.12976	0.7
282.13156	0.4
301.12039	0.4
302.12354	0.5
318.11691	0.7
318.15485	3.6
318.89154	0.4
319.15347	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01864	5.2
57.03429	7.6
58.86874	1.8
59.91166	2.1
60.04501	2.3
61.02929	7.5
67.05500	5.1
69.03429	19.0
70.06593	93.1
71.04992	2.1
71.54489	2.5
72.08170	2.7
73.02914	5.7
73.72149	1.8
79.05480	4.5
81.03419	6.7
81.07072	4.4
84.04510	5.2
84.08138	6.7
85.02905	100.0
86.09702	23.0
86.51460	1.9
87.04472	5.3
91.03959	9.1
91.05499	2.3
93.07046	6.2
95.05011	2.7
95.08588	3.1
97.02889	22.9
98.06035	2.1
99.04455	4.7
99.56565	1.9
102.05547	2.5
103.05439	2.6
109.02882	9.5
110.06022	2.5
111.04446	3.0
113.65083	1.9
115.08714	10.4
116.07078	3.3
117.07083	2.0
120.08128	10.8
121.06507	80.9
127.03909	23.4
129.10219	2.2
130.04993	2.2
130.06522	4.6
130.08656	1.9
130.88930	2.1
132.04417	3.6
133.10129	8.6
134.10474	9.0
138.05487	19.1
138.09134	19.8
140.07028	2.9
145.04959	39.3
145.06229	3.0
151.03944	3.0
152.04259	3.3
154.04955	5.9
156.06561	16.3
156.08138	3.4
156.10196	34.8
157.07616	4.9
158.06029	7.1
159.08098	5.4
161.05977	2.1
163.06044	9.2
175.08708	11.8
179.06960	2.9
180.08623	2.7
187.07507	18.1
203.08215	5.3
205.08522	11.9
217.08708	2.6
221.09221	21.1
229.08676	6.1
235.09828	2.4
244.16605	5.4
246.09698	4.3
247.09740	5.4
265.10715	6.6
272.11356	2.9
277.13107	4.7
300.09845	8.6
300.13333	3.8
318.11200	3.4
318.14841	17.1
319.15338	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.8
55.05513	17.3
57.03431	4.6
57.07073	7.1
67.05508	43.5
69.07071	32.1
71.04999	2.4
71.55341	4.6
79.05505	20.0
81.07066	50.1
83.08615	14.3
85.06551	3.9
91.05482	32.9
93.07051	77.2
95.04957	8.1
95.08050	4.3
95.08613	49.4
97.06522	3.3
97.10152	4.2
101.06010	3.1
105.07035	47.7
107.08596	76.3
109.06535	3.9
109.10167	100.0
117.07032	4.9
119.08592	48.4
121.06508	5.3
121.10152	44.7
123.11729	15.1
127.07544	4.1
131.08577	20.9
133.10133	57.8
135.08037	5.6
135.11693	49.7
137.09619	4.4
137.13278	5.8
143.08556	6.0
145.10147	28.8
147.11711	39.0
149.13274	25.5
151.11212	12.0
153.09129	3.6
157.10133	6.4
159.11699	35.3
161.09647	10.2
161.13251	23.8
163.14844	10.3
169.10188	2.5
169.12270	3.9
171.11685	5.1
173.09674	3.1
173.13297	24.3
175.14842	27.1
177.16373	3.6
179.10666	9.5
185.13249	2.9
187.14847	23.1
189.16406	8.5
197.11707	3.0
199.14854	3.0
201.16422	38.4
203.17950	20.8
208.40517	2.8
211.14854	4.1
215.12906	12.2
215.17889	11.6
229.15863	7.3
229.19531	5.3
235.16992	4.8
243.17583	3.3
243.21146	14.9
257.22668	93.0
261.18521	5.9
267.21069	3.2
281.22519	3.9
285.22125	35.4
299.23651	3.9
317.16019	12.0
317.24789	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	317.2478
Annotation	17alpha,2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one
Peak:m/z	Relative Intensity
53.03943	1.8
55.01858	2.4
55.05512	16.0
57.03424	2.6
57.07079	3.2
67.05511	33.6
69.03439	3.5
69.07079	12.2
69.91131	3.1
69.91546	6.3
71.00850	1.7
71.04993	3.3
77.67764	1.6
78.72756	1.5
79.05502	20.6
80.18569	1.4
81.03437	9.5
81.07067	54.3
83.04995	4.3
83.08624	6.1
85.06535	2.5
91.05486	26.3
93.07051	41.4
95.04952	12.8
95.08618	94.8
97.02866	2.0
97.06544	6.5
97.10168	4.1
98.97609	2.4
99.08119	1.6
105.07048	41.3
105.07767	2.0
107.04940	5.0
107.08606	40.8
109.02897	2.0
109.06541	4.5
109.10168	25.2
111.08106	3.6
113.06038	1.7
115.05483	2.2
117.07032	9.8
119.08592	35.9
121.06522	6.6
121.10158	35.4
123.08084	7.2
123.11716	9.9
125.09609	2.0
126.52214	1.7
127.03963	2.3
127.07594	5.8
128.06157	1.9
129.07010	8.3
131.08575	24.6
133.06526	1.9
133.10144	32.7
135.08057	3.7
135.11690	15.7
137.05995	6.7
137.09631	5.7
137.13268	2.9
140.07048	3.0
141.05450	1.5
141.06970	2.2
142.07822	3.3
143.08557	13.5
145.10135	22.1
147.08119	2.9
147.11708	20.6
149.09648	13.0
149.13278	22.7
151.07590	2.6
151.11186	6.5
153.01869	2.4
155.07202	2.1
155.08611	6.8
156.09360	2.1
157.10153	17.8
159.08072	1.9
159.11720	21.3
161.09598	3.8
161.13263	15.9
163.11179	3.7
163.14850	17.4
167.07054	1.9
167.10667	2.2
169.10158	7.1
171.11697	12.8
173.13272	18.2
174.96912	1.8
175.11185	6.3
175.14838	24.3
177.12776	3.5
177.16484	5.0
181.10216	1.9
183.11700	6.9
185.13271	15.3
187.14815	17.1
189.12804	3.9
189.16400	26.4
191.18008	2.0
193.12259	7.6
197.13297	11.3
199.14833	10.7
201.16399	9.5
203.14354	6.2
203.18057	4.0
211.14839	11.8
213.16463	9.2
213.18166	1.7
215.14410	2.9
215.17984	7.8
217.15857	2.3
217.19595	2.3
221.15533	2.5
225.16348	10.5
227.17984	5.4
229.13438	2.7
229.15829	3.4
229.19456	11.4
231.17421	3.0
239.18005	8.6
241.19490	4.0
253.19597	3.4
255.21053	2.0
267.15976	4.0
271.10526	1.7
271.20615	1.8
271.24118	3.8
281.22659	70.0
287.13086	2.4
299.09293	2.7
299.23715	71.9
302.04257	4.6
317.06680	17.3
317.11218	7.4
317.14890	3.8
317.21451	5.0
317.24786	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2475
Annotation	3beta-Hydroxy-5alpha-pregn-16-en-20-one
Peak:m/z	Relative Intensity
53.03929	2.7
55.01871	2.3
55.05511	11.8
57.03429	2.6
62.68764	1.7
67.05506	21.2
69.07073	14.0
71.04976	7.0
73.53710	1.5
79.05493	19.7
81.07066	47.4
83.04951	1.9
83.08611	7.6
85.06583	1.6
91.05491	18.8
93.07055	38.5
95.04983	8.0
95.08618	52.8
97.06558	10.6
97.10163	2.1
99.08099	16.0
105.07040	38.4
107.08601	39.9
109.06540	2.8
109.10158	25.7
111.08081	5.5
114.17711	1.6
114.73376	1.5
117.07072	8.6
119.08589	45.5
121.10149	31.2
123.08053	7.8
123.11696	4.6
125.09593	2.5
129.07005	7.6
131.08586	24.8
133.10147	35.7
135.08101	3.8
135.11694	22.2
137.09615	5.4
141.06998	2.3
142.07820	3.4
143.08551	16.0
145.10121	26.4
147.11703	29.9
149.09647	3.0
149.13257	12.8
155.08539	6.5
156.09373	3.5
157.10149	19.7
159.11699	32.3
161.09647	3.5
161.13271	18.6
163.11143	2.9
163.14868	3.6
165.12767	2.0
167.10699	1.7
169.10094	10.0
171.11696	21.3
172.12485	2.2
173.13264	26.7
174.96983	1.8
175.11206	2.7
175.14822	28.7
177.16383	2.4
183.11760	8.5
184.12460	2.1
185.13272	18.2
187.14838	17.6
189.12775	4.0
189.16399	19.8
191.14316	4.0
197.13277	9.9
199.14806	19.4
200.15567	1.7
201.16383	11.4
203.14354	3.8
203.17984	4.1
211.14854	12.0
213.16438	14.9
215.14302	1.5
215.17964	6.8
217.15889	4.8
219.17387	3.2
225.16426	14.3
227.17883	4.3
229.15912	2.3
229.19522	4.0
231.17500	5.8
239.17979	6.7
241.19534	16.3
243.17554	2.3
253.19510	3.4
255.21092	22.0
257.22699	2.0
259.20630	1.9
273.22186	11.0
281.22656	47.8
299.12790	3.4
299.23706	65.8
300.24179	2.7
302.04260	2.4
317.06631	6.5
317.11450	1.8
317.15121	4.6
317.24759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2475
Annotation	17alpha,2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one
Peak:m/z	Relative Intensity
52.49469	1.1
53.03934	2.0
55.01848	1.2
55.05512	7.5
57.07056	2.0
65.03934	1.7
67.05508	15.2
68.27463	1.3
69.07059	6.9
70.02740	5.4
71.04972	1.5
75.91944	1.1
77.55378	1.0
77.58037	1.1
79.05501	11.8
81.07060	33.5
83.04979	1.3
83.08611	3.6
91.05478	16.9
92.02613	2.2
93.07044	25.4
95.04990	1.5
95.08609	46.2
97.06555	1.5
97.10155	3.4
105.07030	29.9
107.04923	2.1
107.07874	1.4
107.08601	26.3
109.06528	2.0
109.09486	1.3
109.10165	15.2
117.07011	7.4
119.08585	30.0
120.42209	1.1
121.02869	2.0
121.06477	2.3
121.10145	21.3
123.08051	5.1
123.11704	9.9
129.07008	4.0
131.08572	14.2
133.10139	26.0
135.08038	1.5
135.11684	16.7
137.09596	2.0
137.13264	1.3
141.06993	1.7
142.07758	2.4
143.08580	6.4
145.10133	11.9
147.11688	17.4
149.09628	14.5
149.13266	10.2
151.11125	3.0
153.01851	11.4
155.08542	4.2
156.09372	1.4
157.10115	13.6
159.11687	14.0
161.09656	6.8
161.13264	13.5
163.11223	4.0
163.14812	7.4
167.10675	1.8
167.17488	0.9
169.10126	3.8
171.11711	8.8
173.13277	10.7
175.11174	5.4
175.14819	20.8
175.46886	1.5
177.12746	2.4
177.16396	5.2
182.10829	1.3
183.11694	3.3
185.13300	7.6
187.14886	8.9
189.16386	52.7
197.13271	4.6
199.14857	6.4
201.16414	3.9
203.14305	5.0
203.18030	1.9
211.14845	6.1
213.16393	5.7
213.75783	1.1
215.14246	2.5
215.17920	2.7
217.04971	1.6
217.15907	2.8
219.17558	1.9
225.16373	7.2
227.17935	4.2
228.04172	3.5
229.04967	3.5
229.15894	2.0
229.19569	2.7
231.17458	3.5
239.17928	4.6
241.19554	3.9
243.17438	1.4
245.04489	2.6
246.05162	2.1
253.19478	2.9
257.04541	2.3
271.20572	1.4
273.03894	2.5
274.04611	3.8
281.22635	39.9
285.03967	4.4
298.22400	1.3
299.23703	79.1
302.04236	16.3
317.06570	79.2
317.24768	100.0
318.06982	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	317.2475
Annotation	3-Acetyl-5alpha-androst-2-en-17beta-ol
Peak:m/z	Relative Intensity
55.05517	5.1
55.99569	0.6
57.07093	0.8
64.18412	0.6
67.05182	1.0
67.05509	11.6
69.03436	6.1
69.07068	4.5
69.17462	4.5
69.17897	2.6
70.74801	0.6
79.05496	16.8
81.07067	21.4
83.04967	1.7
83.08612	3.1
85.06544	0.9
91.05485	14.1
93.07050	19.3
95.04943	1.1
95.08612	24.6
97.06540	1.4
97.10180	1.3
105.07042	23.3
107.08607	31.7
109.06505	1.5
109.10162	12.5
111.08093	4.0
117.07009	4.1
119.08591	26.3
121.06525	1.4
121.09325	1.4
121.10156	24.8
123.08044	2.6
123.11697	3.9
124.97044	0.7
126.90549	0.8
129.06995	2.1
131.08583	11.1
133.10143	21.5
135.08057	8.0
135.11697	19.0
137.09633	3.2
137.13280	1.8
142.07755	0.9
143.08580	3.2
145.10133	16.4
147.11697	18.6
149.09624	3.0
149.13272	7.8
151.11209	5.6
155.08563	1.4
157.10143	4.7
159.11700	18.7
161.09637	1.6
161.13255	10.9
163.11153	2.5
163.14790	3.6
165.12749	2.0
167.10692	1.1
168.22272	0.7
169.10086	1.8
171.11732	5.4
172.12572	0.8
173.13281	11.9
175.11259	1.7
175.14824	4.9
177.12791	10.2
177.16406	1.6
179.14302	2.2
183.11760	1.5
185.13286	4.0
186.14081	1.0
187.14818	6.8
189.12772	2.5
189.16380	6.8
191.14345	4.4
197.13271	2.2
199.14729	3.6
201.16438	3.0
203.14365	3.3
203.18015	1.3
205.15898	8.3
211.14908	3.0
213.16429	2.4
215.17972	100.0
217.15932	2.1
219.17427	0.8
225.16403	2.7
227.18010	3.4
229.15858	1.2
233.19025	27.6
239.17892	1.9
241.19560	1.6
243.17513	1.3
243.21098	1.2
249.18661	0.7
251.84724	0.8
253.19492	1.4
255.21138	0.9
256.26389	1.2
271.24356	1.0
281.22656	24.1
294.59460	0.8
299.23712	32.0
309.10629	0.8
317.24777	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2477
Annotation	3-Acetyl-5alpha-androst-2-en-17beta-ol
Peak:m/z	Relative Intensity
53.03920	0.9
55.05518	3.8
57.07060	0.9
60.04259	1.0
60.04529	12.5
61.04853	1.4
67.05504	6.0
69.03429	5.6
69.07066	4.2
79.05114	0.9
79.05495	7.6
80.37281	0.7
80.45498	0.7
81.07063	14.2
83.04959	0.7
83.08611	2.9
85.06555	1.0
91.05494	6.9
92.65354	0.8
93.06487	0.8
93.07048	13.0
95.04951	1.6
95.08614	18.1
97.06540	1.1
97.10151	2.2
98.21539	1.4
105.07039	19.9
107.08596	16.7
109.06519	1.6
109.10168	8.9
111.08068	1.8
111.11714	0.9
117.07024	3.5
119.08585	18.1
121.06554	1.0
121.09309	1.4
121.10150	18.0
123.08045	1.9
123.11689	2.3
129.06981	2.2
131.08574	9.3
133.10138	18.4
135.08075	2.1
135.11700	15.1
137.09589	3.2
137.13261	1.1
143.08553	2.6
145.10127	9.9
147.11694	14.6
149.13283	4.9
151.07520	1.3
151.11189	5.9
156.25836	0.7
157.10147	3.4
159.08054	0.8
159.11710	14.9
161.09674	0.9
161.13255	7.2
163.11165	3.5
163.14836	1.2
169.10045	0.9
170.10928	0.7
171.11717	4.3
173.11920	1.2
173.13271	11.0
175.11206	1.9
175.14870	1.8
177.12737	1.5
179.14374	1.5
183.11661	1.7
185.13261	4.1
187.14857	4.8
189.12692	1.9
189.16362	2.3
191.14331	1.5
197.13284	1.3
199.14827	3.3
201.16360	1.5
203.14322	2.9
211.14859	1.8
213.16418	4.1
215.17963	100.0
217.15926	1.4
225.16365	2.0
227.18015	2.6
229.16017	1.2
233.19023	32.5
239.18018	1.7
253.19673	1.2
255.21111	1.4
281.22687	18.6
281.26270	1.6
299.23724	25.3
299.27637	2.8
317.21280	2.7
317.24759	46.2
317.28802	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	317.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.1
55.99569	0.6
57.07093	0.8
64.18412	0.6
67.05182	1.0
67.05509	11.6
69.03436	6.1
69.07068	4.5
69.17462	4.5
69.17897	2.6
70.74801	0.6
79.05496	16.8
81.07067	21.4
83.04967	1.7
83.08612	3.1
85.06544	0.9
91.05485	14.1
93.07050	19.3
95.04943	1.1
95.08612	24.6
97.06540	1.4
97.10180	1.3
105.07042	23.3
107.08607	31.7
109.06505	1.5
109.10162	12.5
111.08093	4.0
117.07009	4.1
119.08591	26.3
121.06525	1.4
121.09325	1.4
121.10156	24.8
123.08044	2.6
123.11697	3.9
124.97044	0.7
126.90549	0.8
129.06995	2.1
131.08583	11.1
133.10143	21.5
135.08057	8.0
135.11697	19.0
137.09633	3.2
137.13280	1.8
142.07755	0.9
143.08580	3.2
145.10133	16.4
147.11697	18.6
149.09624	3.0
149.13272	7.8
151.11209	5.6
155.08563	1.4
157.10143	4.7
159.11700	18.7
161.09637	1.6
161.13255	10.9
163.11153	2.5
163.14790	3.6
165.12749	2.0
167.10692	1.1
168.22272	0.7
169.10086	1.8
171.11732	5.4
172.12572	0.8
173.13281	11.9
175.11259	1.7
175.14824	4.9
177.12791	10.2
177.16406	1.6
179.14302	2.2
183.11760	1.5
185.13286	4.0
186.14081	1.0
187.14818	6.8
189.12772	2.5
189.16380	6.8
191.14345	4.4
197.13271	2.2
199.14729	3.6
201.16438	3.0
203.14365	3.3
203.18015	1.3
205.15898	8.3
211.14908	3.0
213.16429	2.4
215.17972	100.0
217.15932	2.1
219.17427	0.8
225.16403	2.7
227.18010	3.4
229.15858	1.2
233.19025	27.6
239.17892	1.9
241.19560	1.6
243.17513	1.3
243.21098	1.2
249.18661	0.7
251.84724	0.8
253.19492	1.4
255.21138	0.9
256.26389	1.2
271.24356	1.0
281.22656	24.1
294.59460	0.8
299.23712	32.0
309.10629	0.8
317.24777	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
50.50385	1.8
55.01858	2.4
55.05515	14.7
57.07076	5.3
59.04995	4.8
64.74358	2.0
67.05179	3.0
67.05509	42.2
67.82602	2.2
69.03415	5.6
69.07079	4.5
71.04971	4.8
71.54744	2.9
71.55104	2.3
79.05489	14.4
81.07056	32.9
83.04963	4.0
83.08614	7.8
85.06545	4.6
88.07618	3.3
91.05498	17.6
93.07044	26.8
95.04973	20.1
95.08619	29.7
96.30157	2.1
97.06518	6.6
99.49409	2.0
105.07037	25.5
107.08598	43.7
109.06526	18.4
109.10167	69.5
116.98923	2.2
117.07009	6.5
119.08582	59.6
121.06490	5.6
121.10146	15.3
123.08074	19.9
123.11657	3.4
125.06063	2.7
129.06990	3.7
131.08559	9.3
133.06445	3.4
133.10124	15.5
135.08054	11.9
135.11688	7.8
137.09625	60.4
139.07549	3.0
143.08591	5.1
145.10086	12.8
147.08043	5.1
147.11700	10.3
149.09602	8.3
149.13243	3.6
151.07549	49.2
153.05472	5.9
156.09389	2.8
157.10132	5.9
159.08055	2.8
159.11732	11.4
161.09636	12.8
161.13261	6.1
163.11176	7.5
163.14853	2.7
165.09103	5.2
170.10959	2.2
171.11694	7.2
173.13242	6.9
175.11160	4.2
175.14807	5.8
177.09119	2.3
183.11754	4.8
185.13219	3.1
187.14815	2.1
189.12762	20.7
189.16383	8.6
191.10645	3.0
191.14288	2.9
195.13840	2.3
196.92508	2.0
197.13316	5.8
199.11093	2.9
199.14819	3.7
203.14374	2.4
205.12122	2.1
207.13805	20.2
211.14694	3.3
213.16499	2.5
215.14314	3.9
215.17960	2.2
217.15938	2.5
220.14532	2.0
221.15315	8.1
233.15189	2.7
237.14893	8.7
239.18036	2.4
243.13770	9.0
250.90350	2.1
259.17087	2.7
261.14877	4.5
281.19571	2.7
281.22556	10.3
286.70325	2.4
299.20050	12.2
299.23676	14.5
317.15048	4.5
317.21082	100.0
317.24677	32.0
318.30075	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	317.1231
Annotation	Taxicatin
Peak:m/z	Relative Intensity
53.00314	1.6
53.03947	2.5
55.05517	2.1
57.03431	5.8
61.02926	5.9
65.03934	3.8
65.45171	1.2
67.05497	4.8
69.03435	5.2
69.07056	5.2
70.06588	5.9
71.04959	1.9
71.55165	2.2
75.04488	2.1
79.05495	6.3
81.03416	2.9
81.07052	7.8
83.05000	3.1
84.04501	1.6
84.08153	2.1
85.02901	4.1
86.09683	2.3
91.05489	12.1
93.07034	2.6
95.04983	13.8
95.08620	2.1
97.02883	3.5
97.06542	4.0
99.04459	2.1
105.03365	2.1
105.07025	3.2
107.04973	6.6
107.08601	2.5
108.02130	1.8
109.02840	2.2
109.06546	10.2
110.03642	2.8
111.04498	1.6
116.07101	2.1
119.04947	4.8
119.08604	2.8
121.06535	2.2
121.10151	1.4
123.04434	17.9
125.02367	4.1
125.05978	1.6
127.03928	2.3
130.06532	4.3
131.08611	1.6
133.02853	10.0
133.10136	20.3
135.04425	5.4
137.05975	23.6
137.09630	2.6
140.04694	89.4
142.02574	1.6
147.04424	5.4
149.05925	1.8
151.03961	7.9
151.04968	1.6
151.07516	2.1
152.04724	1.6
153.05457	4.1
154.06287	1.8
155.07043	100.0
158.06096	2.0
158.08176	1.4
163.03964	2.3
163.07533	1.5
165.05505	15.4
167.07085	2.7
171.06554	1.5
171.11771	2.1
173.08154	3.9
173.13254	3.0
179.07077	7.5
179.10648	3.5
180.04240	7.2
181.04964	50.6
193.04982	22.0
195.06548	4.9
197.08188	9.4
199.19240	1.5
201.10394	1.7
207.06543	29.4
210.05339	2.0
213.07582	1.9
221.15266	1.4
225.07565	22.3
231.05037	1.6
243.08701	37.6
243.11073	1.6
253.09891	2.5
257.08792	1.3
257.83914	1.5
258.08682	2.3
260.31009	1.4
263.16364	4.4
271.10745	3.2
299.10260	6.7
300.09879	5.2
306.58981	1.7
317.07864	1.9
317.11703	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	317.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
54.53756	0.1
55.01867	0.1
55.05505	0.4
57.03448	0.1
57.07075	0.1
59.77916	0.1
65.03945	0.7
67.05499	1.2
68.99793	0.3
69.03425	0.3
69.07079	0.5
70.83704	0.2
71.04965	0.1
79.05492	0.7
81.03406	0.2
81.07056	1.8
83.04978	0.2
83.08598	0.2
85.02931	0.2
85.06519	0.3
86.09710	0.1
87.04459	0.1
91.05476	0.9
92.02628	2.6
93.03409	2.3
93.07050	1.3
94.04201	0.2
95.04981	0.5
95.08607	2.2
97.06529	0.3
97.10136	0.2
98.97578	0.2
99.08102	0.1
105.07039	1.3
107.04964	0.3
107.08604	1.4
109.02883	0.4
109.06535	0.4
109.10154	1.1
111.00799	0.4
111.04445	0.1
111.08076	0.2
117.07011	0.4
119.08578	1.2
120.02139	0.1
121.02876	1.7
121.06487	0.3
121.10129	1.0
122.03675	0.2
123.04417	0.2
123.08059	0.3
123.11710	0.4
124.05223	0.1
125.09647	0.1
126.03129	1.0
127.03929	0.1
127.07563	0.4
129.07001	0.2
131.08565	0.7
133.02835	0.1
133.10152	1.3
135.04434	0.2
135.08046	0.2
135.11729	0.4
137.02338	0.5
137.05957	0.3
137.09636	0.2
137.13249	0.1
139.03899	0.9
139.07530	0.1
141.06990	0.1
142.07782	0.2
143.07628	0.1
143.08543	0.5
145.06488	0.2
145.10117	0.7
147.04408	0.2
147.08057	0.1
147.11656	0.7
149.02296	0.2
149.09608	0.4
149.13254	0.5
150.03125	0.2
151.03896	1.4
151.04947	0.1
151.07545	0.2
151.11215	0.1
152.01045	0.1
153.01828	15.9
153.09154	0.1
155.04945	0.2
155.08537	0.2
155.10577	0.1
157.06497	0.1
157.10127	0.4
159.08109	0.1
159.11662	0.6
161.06018	0.2
161.09612	0.2
161.13274	0.4
163.03906	0.3
163.11107	0.1
163.14818	0.3
165.01839	1.1
165.05406	0.1
166.02666	0.4
167.10611	0.1
169.08707	0.1
169.10114	0.4
170.02049	0.1
171.11656	0.3
173.05984	0.4
173.13266	0.4
175.11186	0.2
175.14798	0.7
177.05486	0.5
177.16499	0.1
179.03421	0.2
179.10675	0.1
183.03041	0.2
183.04416	0.3
183.11720	0.2
185.13280	0.4
187.03899	0.2
187.14835	0.3
189.05511	0.2
189.12669	0.1
189.16426	0.9
190.06322	0.2
192.04156	0.1
197.13275	0.3
199.14838	0.3
200.04692	0.6
201.05458	1.7
201.16408	0.3
203.03407	1.3
203.14297	0.2
204.04144	0.3
211.03999	0.1
211.14813	0.3
212.04631	0.1
213.05598	0.2
213.12755	0.1
213.16388	0.2
215.14368	0.1
217.04948	2.5
217.15895	0.1
218.05736	1.1
219.02887	0.4
225.16400	0.2
227.17996	0.1
228.04166	3.3
229.04970	4.9
229.15688	0.1
231.02864	1.1
232.03731	0.2
233.04472	0.1
239.03377	0.1
239.17978	0.2
241.19360	0.1
243.06511	0.2
243.13773	0.2
245.04471	3.3
246.05235	3.4
256.03656	0.4
257.04453	3.0
259.02332	0.2
260.03177	0.9
261.07574	0.6
271.06146	0.5
273.00940	0.1
273.03918	3.3
274.04724	6.5
281.22632	1.0
284.03195	0.8
285.03931	4.9
286.04608	0.1
287.01837	0.3
288.06241	0.3
299.16693	0.1
299.20129	0.4
299.23727	1.5
301.03406	0.4
302.04214	20.4
317.06552	100.0
317.24777	2.4
318.06799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06973	0.1
53.03935	0.2
55.01875	0.1
55.05505	0.3
57.81522	0.1
57.89812	0.1
65.03935	0.5
67.05507	1.1
68.99792	0.4
69.03419	0.5
69.07055	0.4
70.06594	0.3
71.04987	0.4
77.03938	0.1
79.05500	1.0
81.03397	0.5
81.07061	2.1
83.08601	0.3
84.04474	0.1
85.02891	0.2
85.06535	0.3
91.05459	0.8
92.02626	2.7
93.03409	2.3
93.07053	1.3
95.01302	0.1
95.04967	0.4
95.08614	2.5
97.02872	0.2
97.06548	0.2
99.04432	0.3
103.05481	0.2
105.07029	1.3
106.97257	0.1
107.08596	1.1
109.02869	0.6
109.06505	0.4
109.10152	1.1
109.66360	0.1
110.62046	0.1
111.00780	0.4
111.08078	0.4
117.07007	0.3
119.08572	1.3
121.02881	2.0
121.06477	0.2
121.10160	1.0
122.03664	0.3
123.04419	0.2
123.08077	0.3
123.11736	0.3
125.09602	0.2
126.03147	0.9
127.03899	0.2
127.07560	0.2
129.06975	0.3
131.04948	0.2
131.08540	0.5
133.02809	0.1
133.10132	1.0
135.04398	0.3
135.08087	0.2
135.11713	0.7
137.02351	0.5
137.05965	0.5
137.09621	0.3
139.03909	0.8
140.07036	0.1
142.07832	0.1
143.08516	0.4
145.06453	0.2
145.08597	0.6
145.10085	0.8
147.11708	0.9
149.09610	0.3
149.13254	0.5
151.03902	1.4
151.07483	0.1
151.11223	0.1
152.00998	0.2
153.01830	15.1
155.04866	0.2
155.07117	0.2
155.08466	0.1
157.10130	0.4
159.04449	0.1
159.08031	0.2
159.11658	0.6
161.05974	0.1
161.09662	0.2
161.13231	0.6
163.03911	0.4
163.11160	0.1
163.14922	0.3
165.01866	1.2
165.33876	0.1
166.02522	0.2
169.10170	0.2
170.02014	0.1
171.10214	0.2
171.11681	0.3
173.02174	0.1
173.06006	0.4
173.13272	0.5
175.11169	0.1
175.14781	0.5
176.04657	0.1
177.05484	0.4
177.12785	0.1
179.03427	0.2
183.04337	0.3
185.06047	0.1
185.13264	0.3
187.04027	0.1
187.14835	0.3
189.05499	0.1
189.16405	0.5
197.13258	0.3
199.08093	0.1
199.14810	0.3
200.04697	0.6
201.05455	1.6
201.12851	0.1
201.16425	0.3
203.03391	1.2
203.14238	0.2
203.17989	0.2
204.04164	0.3
211.14883	0.3
213.05519	0.1
213.16357	0.2
217.04988	2.2
217.15797	0.1
218.05754	1.1
219.02896	0.6
219.06537	0.1
225.16418	0.2
228.04181	2.8
229.04953	4.4
231.02866	0.9
232.03679	0.2
239.03410	0.1
241.19530	0.1
243.06557	0.4
244.97716	0.1
245.04466	3.1
246.05237	3.2
253.19409	0.1
255.21060	0.2
256.03659	0.4
257.04437	3.0
260.03186	0.7
261.07562	0.6
271.06000	0.5
273.03925	2.8
273.06177	0.1
274.04724	6.5
281.22565	1.5
284.03235	0.9
285.03943	4.9
287.02042	0.1
287.10275	0.2
288.06253	0.2
299.05908	0.2
299.13742	0.1
299.20059	0.4
299.23645	2.3
301.03488	0.4
302.04211	20.1
317.06552	100.0
317.24738	2.2
318.06808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.03965	0.2
55.01870	0.2
55.05516	0.2
56.46069	0.1
65.03934	0.8
67.05512	0.8
68.99805	0.4
69.03416	0.2
69.07072	0.2
69.27319	0.5
69.27744	0.9
79.05499	0.4
81.03440	0.4
81.07058	1.1
83.04977	0.2
83.59069	0.1
91.05486	0.5
92.02618	2.4
93.03406	2.7
93.07056	0.7
95.04980	0.2
95.08620	1.5
97.06569	0.2
105.07024	0.8
107.04995	0.1
107.08603	1.0
109.02888	1.3
109.06548	0.3
109.10172	0.8
110.03228	0.4
111.00814	0.5
117.07013	0.2
119.08559	0.8
120.02113	0.2
121.02879	1.9
121.10173	0.6
122.03653	0.4
123.04449	0.1
123.08070	0.2
123.11700	0.2
126.03155	1.0
129.07037	0.3
131.04980	0.2
131.08606	0.4
133.02884	0.2
133.10118	1.0
135.04465	0.2
135.08109	0.2
135.11736	0.4
137.02342	0.5
137.06012	0.3
139.03900	0.9
143.08543	0.3
145.10104	0.3
147.11684	0.7
149.02396	0.3
149.09602	0.3
149.13252	0.3
150.03148	0.2
151.03906	1.5
151.04993	0.2
152.01088	0.3
153.01828	14.9
155.04947	0.2
157.10152	0.3
159.11703	0.4
161.13248	0.4
163.03908	0.3
163.14803	0.3
165.01825	1.3
166.02664	0.4
171.11642	0.2
173.06007	0.2
173.13319	0.3
175.14854	0.4
177.05470	0.5
177.12753	0.1
177.16341	0.2
179.03419	0.2
183.02921	0.3
183.04462	0.4
187.03870	0.2
187.14755	0.3
189.12727	0.2
189.16385	1.9
190.06282	0.2
199.14824	0.3
200.04662	0.6
201.05423	1.6
203.03410	1.4
203.14337	0.2
204.04141	0.2
213.05446	0.2
217.04945	2.5
218.05762	1.1
219.02910	0.4
225.16336	0.2
228.04149	3.2
229.04962	4.8
229.16193	0.2
231.02930	1.0
243.06506	0.3
245.04465	3.6
246.05225	2.9
247.02501	0.2
253.19542	0.2
256.03705	0.5
257.04459	3.5
258.05469	0.2
260.03235	0.8
261.07553	0.4
271.06000	0.5
273.03937	3.3
273.06708	0.3
274.04736	6.6
281.22644	0.6
284.03171	0.8
285.03937	5.6
286.04626	0.3
287.01886	0.2
288.06317	0.2
299.20401	0.3
299.23636	1.4
301.03586	0.3
302.04218	21.0
317.06555	100.0
317.24716	2.4
318.06888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.1
56.96563	34.1
57.01847	4.1
57.03444	6.3
61.02922	15.4
69.03436	31.4
70.06079	9.1
70.06507	13.4
72.08161	12.1
73.02925	15.1
80.32397	4.0
81.03431	15.5
84.04498	7.3
84.08149	40.1
84.96088	4.5
85.02917	73.0
86.09718	13.1
87.04477	9.6
96.83455	3.8
97.02894	29.3
98.97594	100.0
99.04485	7.8
101.00894	10.2
105.03391	6.0
109.02888	11.6
110.97576	24.8
112.99125	11.6
116.98613	30.5
119.01855	13.1
124.99216	4.6
125.07216	5.6
127.03932	17.0
128.98610	15.2
129.10287	21.4
133.06091	6.5
135.71045	4.3
136.07590	11.2
136.23035	3.9
137.07974	13.4
140.00223	5.8
143.00150	4.8
145.03445	4.1
145.04977	13.9
146.54930	5.0
154.06082	6.6
154.08661	6.4
154.93329	6.8
155.01898	6.7
155.04652	18.2
155.09105	6.9
157.03455	5.7
158.99648	21.2
161.02945	8.1
161.41847	4.0
162.67221	4.1
164.05202	7.4
168.05569	6.2
168.53830	5.2
169.04532	7.7
170.99696	6.8
171.07649	10.8
172.94357	8.6
173.01221	8.2
173.02876	4.0
173.06674	4.7
177.00723	7.5
178.04897	7.0
185.01254	4.2
185.12851	5.9
189.00690	6.2
189.06149	11.7
190.04945	10.1
191.03889	5.1
197.01277	9.0
200.04506	4.9
201.00751	6.1
201.06006	7.4
203.03984	6.5
214.95433	9.8
215.02232	12.7
219.01784	33.3
227.06805	22.7
232.96550	9.4
236.07228	20.7
236.77451	4.7
237.02849	25.1
237.05235	8.5
256.96573	6.7
274.97556	28.1
285.14578	5.6
291.09482	6.8
292.98618	10.3
297.44632	4.4
299.09052	4.5
308.09525	4.8
316.59543	4.7
317.06229	87.1
317.09592	11.5
317.14218	9.4
317.17389	8.9
317.21835	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	316.2844
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03948	0.6
55.01880	0.7
55.05508	4.3
56.05040	3.8
57.07079	2.3
58.06621	0.5
60.04526	100.0
62.24565	0.5
67.05507	7.2
68.05019	0.8
69.07071	5.5
70.06584	1.0
70.15845	1.1
70.16221	1.8
72.04524	1.7
74.06077	1.5
79.05491	3.8
80.05005	1.0
81.07049	7.8
82.06580	1.2
83.04978	0.6
83.08626	3.4
86.06125	0.7
87.04472	0.9
90.05569	1.3
91.05481	3.3
92.03938	0.5
93.07037	3.7
95.04957	0.5
95.08614	8.3
96.08140	1.1
97.06532	0.8
97.10184	1.8
100.07632	0.7
105.07043	2.0
107.08594	2.3
109.10139	2.8
112.07615	0.7
116.07047	0.6
118.04194	0.5
119.08595	1.8
121.10141	1.7
121.30799	0.5
123.08105	0.5
123.11698	1.2
130.08658	0.5
133.10091	1.1
135.08089	0.8
135.11682	1.0
136.08452	0.5
137.09639	0.8
146.10643	0.5
149.13263	0.7
151.07668	0.6
151.94820	0.6
228.32568	0.7
250.25275	1.7
256.26343	0.9
262.25314	1.5
280.21600	0.8
280.26337	11.3
295.45679	0.5
298.22391	0.8
298.27423	16.6
316.23758	2.0
316.28455	58.7
317.28793	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28991	0.3
55.01866	0.4
55.05503	1.2
55.55601	0.3
56.48684	0.3
60.04517	0.4
62.14815	0.3
67.05499	0.4
67.29455	0.3
69.07061	0.4
69.97486	1.2
70.06604	0.5
72.08150	0.8
79.05489	0.6
81.03392	0.6
81.07053	1.8
83.08628	0.5
84.08139	0.5
85.02903	0.6
86.09722	1.5
91.05482	0.5
95.04984	0.4
97.02936	0.4
98.06046	0.7
98.97606	0.4
106.05038	0.5
108.08109	0.6
109.02859	0.3
109.06535	1.4
110.06001	0.5
111.06760	0.5
126.09116	1.1
136.27711	0.3
139.06300	0.9
154.08638	100.0
179.53619	0.3
183.17282	0.3
185.16521	0.4
211.13335	0.7
252.12492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1214
Annotation	Acetochlor esa
Peak:m/z	Relative Intensity
55.01878	1.2
55.05506	0.8
56.05020	2.3
56.96552	2.7
57.03436	1.2
58.99322	0.8
58.99584	3.3
61.02903	1.4
67.05500	1.4
68.05029	1.0
68.52860	0.8
69.03412	3.2
69.07056	1.0
70.06592	4.6
70.25684	3.2
71.04963	0.9
71.28883	0.7
72.08140	2.7
73.02912	1.1
79.05473	2.2
80.05003	0.8
81.03436	1.6
81.07071	1.6
82.06599	0.8
83.04986	1.2
84.08120	1.2
85.02899	7.1
86.00660	14.7
86.03204	0.9
86.09698	2.1
86.99041	1.6
88.02220	29.5
88.03982	2.4
89.65322	0.8
91.05466	3.6
93.07021	2.9
94.06546	1.7
95.04967	1.4
95.06079	1.6
95.08590	3.2
97.02876	2.4
97.06519	1.4
98.97578	3.9
99.04424	1.0
100.02204	4.3
101.06047	1.0
105.00067	1.6
105.03397	1.1
105.07044	4.8
106.06552	0.9
106.07750	0.8
107.08594	15.9
108.08091	0.9
109.02876	0.8
109.10144	1.7
110.06039	0.8
110.97561	1.1
111.04488	1.2
114.09099	0.8
116.07082	4.1
116.98583	1.6
117.07037	0.9
119.05013	0.9
119.08582	8.1
120.01160	1.2
120.08085	1.6
120.09356	1.4
121.06502	1.0
121.10146	7.8
122.02718	2.0
122.06035	5.4
123.04402	1.5
123.08105	4.4
124.07584	1.8
127.03922	2.0
131.08569	7.1
132.01158	16.1
133.10141	5.4
134.02716	18.8
134.05939	1.0
134.09619	7.8
135.08046	4.6
136.07574	6.0
137.05940	1.2
137.09583	1.4
139.05716	1.6
145.04892	0.8
145.08832	1.1
146.09665	1.5
147.04408	1.9
148.11209	1.3
149.09625	8.3
151.05751	3.8
152.07091	0.9
153.05415	1.1
153.07315	2.9
153.09145	1.0
154.04919	1.4
154.08670	6.8
158.09558	1.1
158.99597	1.2
159.08038	2.3
163.03874	0.8
163.05772	3.8
164.07042	0.9
165.07324	5.6
167.05254	1.8
169.03175	0.9
171.16801	0.8
173.12871	1.2
174.09177	0.9
176.10706	13.1
177.07535	1.5
177.09105	9.3
180.04785	2.7
181.06812	3.6
181.08727	1.0
187.02713	0.8
189.07301	1.0
191.05283	1.8
192.08333	3.6
194.11797	1.4
195.04793	1.6
195.10153	4.8
201.12296	0.9
203.04907	1.0
206.10031	1.0
209.06267	5.1
211.07826	1.3
212.59839	0.8
213.06921	1.7
219.01823	1.8
224.07564	1.3
226.05443	2.1
234.09485	7.3
237.02856	1.2
238.08958	8.2
244.06065	0.8
252.10576	5.0
253.47119	0.8
256.10077	1.0
270.11536	3.2
270.18085	1.0
280.10062	10.7
292.09018	1.0
298.11075	53.4
316.12103	100.0
316.18204	2.4
317.12244	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2684
Annotation	Mansumbinone
Peak:m/z	Relative Intensity
55.05500	5.3
55.47946	1.5
56.77380	1.5
57.03429	2.5
57.07059	4.3
67.05496	6.7
69.07076	8.7
69.51609	3.4
69.52013	5.6
69.88132	1.5
76.05717	1.4
76.51502	1.5
79.05479	6.2
81.07063	16.4
83.08610	3.1
85.06554	2.4
91.05476	6.9
93.07059	15.5
95.08602	20.7
105.07043	16.6
107.07960	2.2
107.08603	22.1
109.10168	16.8
111.08062	2.1
117.07014	2.3
119.08579	19.4
121.10169	12.5
123.11713	7.8
131.08522	6.3
133.10135	16.3
135.11693	21.7
137.13206	2.5
143.08543	4.0
145.10143	12.8
147.11700	16.2
149.13248	8.2
152.30762	1.4
157.10103	6.7
159.11694	12.8
161.13272	23.3
163.14824	8.6
171.11681	5.6
173.13286	16.7
175.14833	14.9
177.16328	1.6
185.13286	6.6
187.14850	14.3
189.16373	7.0
191.14317	7.6
198.14058	1.7
199.14781	3.0
201.16331	6.5
213.16412	14.4
214.17099	1.8
215.17920	4.9
227.17894	14.0
229.19527	6.5
241.19579	10.1
243.21132	8.1
254.20329	2.6
255.21021	4.0
267.21121	3.1
282.23453	2.9
297.25784	100.0
315.23212	4.7
315.26797	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01865	1.9
55.05516	24.6
57.03442	1.3
57.07078	8.4
59.72136	1.1
65.03925	1.4
67.05508	32.2
69.03421	4.6
69.07073	34.1
71.04977	4.7
71.08617	4.1
71.55183	1.2
79.05490	15.7
81.03400	1.8
81.07063	59.3
83.04969	4.8
83.08624	23.7
85.06535	5.6
85.10201	1.6
85.35854	1.2
87.04456	2.6
91.05483	13.9
93.07049	32.0
95.04958	3.1
95.08611	89.8
96.36275	1.2
97.06544	6.1
97.10163	16.2
99.04463	3.9
99.08076	5.8
101.06004	4.2
105.07039	25.3
107.08605	26.0
109.06532	2.7
109.10168	32.1
111.08079	2.8
111.11729	11.8
113.09631	3.6
115.03886	1.5
115.07574	2.1
115.64308	1.4
117.07032	6.2
119.08591	20.8
121.06514	1.9
121.10149	29.0
123.08068	3.0
123.11711	16.1
125.09634	2.5
125.13248	4.7
127.11193	1.3
128.06209	1.8
129.06993	4.1
131.04990	1.1
131.08589	15.2
133.06464	1.3
133.10139	18.7
135.08063	3.4
135.11696	19.2
137.09647	1.8
137.13319	9.5
139.14822	1.9
141.12761	2.2
143.07004	1.8
143.08539	6.0
145.10132	18.5
147.08063	1.8
147.11691	12.1
149.09586	2.7
149.13264	15.0
151.11148	1.2
151.14795	4.7
153.09116	2.8
153.12711	1.4
155.08574	3.3
155.14250	3.0
157.10146	7.0
159.11696	17.0
161.05986	4.5
161.09624	3.4
161.13281	5.7
163.11229	2.3
163.14851	6.6
165.06993	1.7
167.08664	1.8
167.10667	2.0
167.14319	1.6
169.10088	2.9
169.15913	2.9
171.11752	6.1
173.09639	2.4
173.13260	13.9
175.14806	6.2
177.09023	1.4
177.16344	4.4
181.10202	1.3
181.15808	1.2
183.11673	3.4
185.13242	5.3
187.11133	1.8
187.14838	7.9
189.12746	2.5
189.16403	1.7
193.12230	2.5
195.07970	1.6
195.11650	2.8
195.17509	2.2
197.13289	3.9
199.14796	5.8
201.12761	2.7
201.16389	5.0
203.14290	1.5
205.06496	1.7
205.12289	1.6
207.21078	2.4
209.13278	3.4
213.12653	2.2
213.16426	3.2
214.17139	2.1
215.14302	2.2
215.17928	3.2
217.15779	2.0
219.13802	5.0
221.15381	2.2
223.07477	2.6
223.14929	3.0
227.18033	1.9
233.15363	4.1
233.22661	12.0
235.16931	3.2
240.07837	1.6
241.15851	2.3
245.15337	2.3
247.17014	1.8
251.23727	10.6
255.10112	2.9
255.17343	2.0
255.21117	4.0
259.16861	2.4
261.22079	2.2
269.19028	1.3
269.24863	7.6
279.21042	4.5
283.09698	9.3
297.18665	2.4
297.22009	14.1
315.12488	7.0
315.19974	3.5
315.23157	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2321
Annotation	Longithorone J
Peak:m/z	Relative Intensity
50.30513	2.0
53.03937	3.2
53.99244	1.8
55.01855	4.2
55.05514	11.0
56.96533	2.2
57.03418	2.6
57.07074	2.5
67.05513	16.5
68.17434	2.0
69.03421	6.2
69.07056	13.7
69.48684	15.4
71.04965	5.8
72.18008	2.2
79.05505	16.6
81.03409	6.5
81.07060	39.1
83.04972	7.4
83.08592	4.2
84.04488	2.7
85.02869	4.8
85.06544	2.7
86.09718	2.4
87.04462	5.1
88.25706	2.7
91.05483	23.0
93.07047	27.3
95.04961	5.9
95.08612	34.1
97.02908	3.4
97.06539	16.7
97.10177	2.3
98.21410	4.1
98.97566	2.0
99.04458	3.7
105.06391	3.1
105.07034	29.8
107.04940	5.1
107.08615	26.6
109.02899	15.5
109.06515	6.2
109.10158	15.0
111.04398	2.4
111.08082	4.9
115.05449	2.2
117.07009	10.7
119.08595	32.4
121.06485	6.9
121.10150	21.8
123.08058	9.1
123.11681	7.6
125.05977	2.2
125.09601	4.3
127.03891	2.7
128.06180	2.9
129.06998	7.3
131.08577	26.6
133.06467	2.4
133.10146	18.7
135.08038	8.5
135.11723	11.4
137.05968	7.2
137.09631	5.8
141.06972	5.0
142.07771	2.3
143.08565	14.5
145.10138	29.3
147.08046	4.7
147.11671	13.2
149.05984	2.4
149.09604	8.2
149.13271	9.8
151.11292	2.8
152.06194	1.9
153.06946	2.2
153.09111	4.6
155.08542	15.5
156.09332	2.6
157.10144	23.2
159.08096	4.7
159.11714	18.6
161.05965	8.9
161.09645	4.8
161.13240	12.5
163.11137	4.9
163.14830	2.4
165.07014	2.6
165.09137	1.9
165.12575	3.3
167.08585	6.2
169.10043	11.8
171.11629	15.7
173.09604	13.1
173.13283	16.2
175.11185	5.3
175.14824	8.0
177.09073	2.3
181.10117	6.8
183.11681	8.0
185.09631	2.9
185.13216	11.2
186.14845	4.0
187.11137	5.2
187.14735	10.7
189.12781	6.5
189.16489	2.6
191.10684	4.5
193.10132	3.4
195.08084	3.7
195.11696	9.0
197.13272	11.2
199.11101	5.6
199.14809	12.2
201.12656	6.0
201.16371	6.6
208.05156	4.5
209.13292	9.6
210.13922	2.7
211.07484	3.1
211.14827	7.6
213.12708	3.0
213.16382	7.4
215.14326	4.5
215.17950	3.4
221.06046	2.4
223.07512	6.2
223.14822	7.3
225.16521	3.9
227.14299	9.6
227.17929	6.5
229.15810	2.8
234.98999	2.3
237.16412	5.0
239.17963	8.7
241.15698	2.1
241.19493	2.9
253.19601	6.3
255.10515	3.3
255.21048	4.1
257.19159	3.3
265.08475	2.5
269.08221	2.9
269.12872	3.8
269.18970	2.6
269.22382	5.0
279.21069	28.4
279.44760	2.3
283.09659	19.9
297.11380	2.4
297.18781	3.2
297.22107	62.0
315.08636	12.3
315.12842	24.5
315.19516	12.6
315.23145	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2318
Annotation	Longithorone J
Peak:m/z	Relative Intensity
53.03952	0.9
55.01855	1.5
55.05498	3.4
55.20975	0.8
57.07063	0.8
58.87653	0.8
67.05501	6.2
69.03442	1.3
69.07082	4.2
77.03885	0.9
79.05489	6.1
81.07052	12.2
82.57082	0.8
83.04981	4.2
83.08604	2.5
83.70888	0.7
91.05466	4.6
93.07049	15.0
95.04950	1.5
95.08603	22.5
97.06541	10.2
97.10188	1.1
101.36177	0.8
105.07030	11.2
107.04975	1.7
107.08599	16.2
109.06507	5.9
109.10159	5.4
111.08087	10.4
117.07016	3.7
119.08584	15.7
121.06510	1.4
121.10146	13.4
123.08067	58.3
125.09653	1.0
129.07008	1.6
131.08553	9.0
133.10132	19.1
134.43562	0.9
135.08055	48.0
135.11667	5.6
137.09665	6.0
143.08537	3.8
145.10129	12.4
147.08029	1.4
147.11719	8.4
148.18794	0.8
148.90225	0.9
149.09618	7.6
149.13258	3.9
151.11160	2.4
155.08546	1.2
157.10127	4.4
158.10988	0.9
159.11690	8.3
161.09639	3.8
161.13272	5.6
163.11121	1.6
163.14839	4.0
169.10138	2.5
171.11679	5.0
173.09683	1.3
173.13268	7.2
173.49062	0.9
175.11183	4.7
175.14835	2.8
177.12749	2.2
177.16299	2.0
181.10139	1.2
183.11720	2.8
185.13255	6.6
187.11119	1.5
187.14833	13.9
189.12735	3.1
193.15889	1.9
195.11740	1.0
197.13306	2.6
199.14825	4.0
201.12759	2.2
201.16350	1.1
203.14304	4.2
205.15892	20.7
209.13190	2.1
213.16415	3.0
215.14282	1.9
217.15916	1.4
223.14819	1.8
225.16423	3.4
227.14392	1.5
227.18079	1.4
231.17444	5.4
237.16409	1.1
237.98235	1.0
239.17958	4.9
241.15894	1.9
241.19507	1.9
243.17470	6.0
245.18971	2.0
253.19579	3.0
255.21049	7.7
257.19046	1.6
269.18942	1.4
269.22626	2.7
279.21103	11.6
297.22128	44.0
307.30972	0.9
315.23187	100.0
316.23734	1.0
323.79947	1.0
333.24350	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.2
57.03438	17.9
57.07076	66.3
57.24235	1.6
64.25922	1.3
67.05506	22.3
69.06730	1.9
69.07072	22.0
69.44946	9.1
69.45352	2.8
70.17699	1.4
71.04971	2.4
71.08632	39.9
79.05495	9.6
81.06582	2.4
81.07058	43.5
83.08624	21.7
85.06549	2.1
85.10184	20.1
89.06018	3.6
91.05478	10.4
93.07044	19.1
95.04927	2.0
95.08611	45.4
97.06500	3.0
97.10149	8.8
97.26977	1.3
99.08089	4.2
99.11745	1.6
105.07025	23.5
105.48766	1.4
107.08583	27.7
109.06490	2.0
109.09465	2.4
109.10159	31.9
111.08042	1.8
111.11717	1.7
117.07029	1.4
119.08585	32.5
121.10158	25.7
123.08043	3.7
123.11709	23.4
125.09644	3.3
125.88792	1.6
131.08572	12.5
133.10135	22.5
135.11685	11.7
137.04239	1.4
137.09621	2.1
137.13249	3.9
139.11194	3.5
142.07785	1.8
143.08562	6.1
145.10115	13.3
147.11699	13.1
149.13254	8.4
151.11172	4.9
155.08592	2.5
156.76855	1.5
157.10109	9.0
159.11707	16.7
161.11981	2.3
161.13263	36.4
163.11185	2.5
163.14828	7.4
165.12755	3.5
169.10126	3.4
171.11658	7.0
173.13261	11.4
173.27090	1.5
175.14853	15.5
177.12730	3.9
177.16315	1.6
183.11694	4.9
185.13280	9.5
187.14845	13.3
189.12727	5.7
189.16344	14.1
197.13257	5.1
199.14841	6.9
201.16418	11.0
203.14224	5.0
203.17978	1.7
205.15895	3.8
205.81010	1.8
211.14842	5.4
213.16377	6.1
215.17963	6.9
217.15826	2.2
223.14651	2.2
225.16420	9.3
227.17944	40.4
229.15865	2.1
239.17914	8.3
239.23717	5.3
241.19414	1.9
243.17374	3.2
253.19614	3.6
255.21056	4.6
257.19070	7.3
257.24692	4.8
267.21057	1.7
271.20560	2.7
280.21887	2.3
285.25690	2.6
295.20822	1.6
295.24210	37.1
313.25046	100.0
313.27588	86.9
313.36536	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	313.2162
Annotation	Longithorone K
Peak:m/z	Relative Intensity
52.41761	1.0
53.03955	1.9
55.01867	1.4
55.05506	8.1
57.03443	1.1
57.07063	2.6
60.34941	0.9
67.05505	12.6
69.03421	2.4
69.07069	6.7
70.30041	0.9
71.04988	1.1
71.09091	2.2
79.05484	8.9
81.03387	2.7
81.07057	24.3
83.05005	1.3
83.08634	5.1
85.06506	1.1
91.05481	10.1
93.06499	1.2
93.07045	17.3
95.04961	2.4
95.08606	20.2
97.06499	3.4
97.10140	1.2
98.09673	1.5
105.07037	16.9
105.96067	1.1
107.04951	4.3
107.08589	14.3
108.08125	1.5
109.06484	2.5
109.08432	1.5
109.10152	14.9
114.05491	1.1
115.05444	1.7
117.07053	6.7
119.08582	15.9
121.06503	5.8
121.10158	9.6
123.08051	1.2
123.11679	3.7
126.09133	2.3
128.06200	4.8
129.06998	4.8
131.08565	15.1
133.06441	3.4
133.10123	8.8
135.08057	3.2
135.11694	8.2
137.06004	3.2
137.13217	2.5
138.30768	1.0
141.06975	3.1
142.07751	3.9
143.08563	28.5
145.06403	1.2
145.10130	13.9
147.08066	6.8
147.11644	4.3
149.09578	1.5
149.13287	9.0
151.03889	2.1
151.07484	1.1
151.13138	2.3
153.07001	2.2
155.08545	14.6
156.09351	2.1
157.10132	13.4
158.07312	1.3
159.08049	4.1
159.11678	7.8
160.49628	1.2
161.09605	3.1
161.13287	6.3
165.06985	1.9
165.09135	3.8
166.07770	1.7
167.07076	1.3
167.08522	3.2
168.09366	2.0
169.10014	16.0
171.08046	11.0
171.11679	8.9
173.09612	10.6
173.13257	4.8
175.11160	1.7
175.14812	4.0
177.05389	1.6
177.09064	2.2
179.08569	1.7
180.09308	1.3
181.10127	7.8
182.10852	1.6
183.11707	12.6
185.09592	3.2
185.13272	5.4
187.10942	4.6
187.14799	2.9
189.09108	13.9
191.10564	1.8
192.09303	1.7
192.15599	1.4
193.10190	5.0
195.11734	7.0
196.12477	2.0
197.09506	2.2
197.13196	9.5
199.11270	5.2
199.14792	3.4
201.16402	3.9
203.10814	1.2
206.10947	1.8
207.11684	4.0
209.13260	3.5
210.13974	1.5
211.11212	3.8
211.14931	5.1
213.12689	2.6
213.16383	1.2
215.10638	1.6
217.12260	3.0
221.13216	3.4
224.15643	2.0
225.12814	5.2
225.16341	6.1
227.14302	2.5
227.17923	2.6
229.12225	1.8
235.14793	2.6
237.16402	5.3
239.14233	2.9
239.17935	19.7
240.18738	2.7
241.19519	1.3
243.13773	1.3
243.17564	1.3
251.17976	3.1
253.08699	1.7
253.15790	2.0
253.19608	4.8
255.17358	1.3
267.21127	15.7
268.15320	3.2
269.15771	11.8
269.18585	1.6
277.19492	8.7
295.17841	0.8
295.20572	35.1
313.10922	6.5
313.18344	9.7
313.21597	100.0
314.19522	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2161
Annotation	Pregna-4,11-diene-3,20-dione
Peak:m/z	Relative Intensity
55.01870	2.3
55.05509	5.9
57.03425	0.9
57.07064	1.8
65.03940	1.2
66.16050	0.9
67.05506	11.8
69.03413	2.3
69.07066	6.1
70.06583	1.2
71.04995	1.4
71.55643	1.2
73.26850	0.8
79.05493	13.2
80.99300	0.7
81.03405	3.0
81.07054	18.3
83.04985	4.5
83.08604	3.0
90.15168	0.8
91.05482	18.7
92.86501	0.8
93.07043	23.1
95.04950	2.7
95.08607	19.2
97.06509	4.4
97.10153	1.7
105.07029	25.3
107.04942	6.2
107.08591	20.4
109.06549	4.0
109.10154	11.1
110.89809	0.8
111.08065	3.2
115.05442	1.5
116.06247	1.1
117.07025	9.9
119.06075	0.9
119.08585	23.0
121.06519	13.3
121.10155	11.3
123.08047	5.7
123.11690	3.8
125.09644	2.0
128.06206	3.3
129.07014	6.7
130.07768	1.3
130.08636	1.4
131.08571	36.8
133.06480	2.9
133.10129	12.5
135.08052	25.7
135.11687	7.5
137.09637	7.3
141.06970	4.1
142.07765	5.1
143.08559	16.8
145.06485	1.3
145.10132	16.7
147.08044	6.2
147.11688	9.3
149.08549	1.5
149.09628	15.9
149.13275	3.2
151.11176	2.8
154.07794	1.3
155.08556	10.6
156.09346	1.9
157.10124	19.7
159.08031	3.2
159.11697	13.4
161.09621	6.8
161.13261	5.9
163.11191	5.1
163.14806	3.2
165.07033	1.0
167.08594	2.4
168.09299	1.9
169.10162	7.3
171.08051	2.9
171.11703	10.0
173.09641	8.4
173.13254	6.0
175.11205	7.1
175.14835	2.9
177.12711	3.7
179.08560	1.6
181.10133	3.9
182.10922	1.0
183.11716	9.2
185.09637	2.1
185.13243	6.9
187.11206	3.5
187.14822	2.7
189.12773	6.3
191.14343	3.5
192.09261	0.9
193.10124	2.0
194.10936	1.2
195.11827	3.9
197.09587	1.2
197.13304	7.1
199.11194	3.3
199.14796	4.0
201.12741	2.6
201.16417	1.5
203.14288	2.7
206.10966	1.2
207.11641	2.6
208.12418	1.3
209.13254	3.3
211.11227	1.5
211.14845	7.7
213.12743	2.1
213.16417	4.1
215.14253	2.6
221.13281	4.2
221.15321	1.0
222.13997	1.2
223.14812	7.1
225.12692	2.4
225.16380	5.0
227.14281	2.8
227.17883	1.0
229.15845	2.7
233.13219	1.0
233.15437	1.0
235.14857	2.5
237.16351	2.7
239.14307	3.0
239.17978	1.6
241.15892	8.4
243.17476	3.5
248.15675	0.8
249.16399	2.0
251.17825	1.3
253.15872	2.5
253.19527	2.9
255.17436	3.5
264.79132	0.9
265.19696	1.2
267.17566	1.6
267.21109	6.6
271.20544	1.6
277.19431	7.6
283.20578	2.3
285.22104	10.8
295.20554	33.3
313.21609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2162
Annotation	Pregna-4,11-diene-3,20-dione
Peak:m/z	Relative Intensity
53.03939	0.9
55.05518	5.6
57.03423	1.4
57.07060	1.3
63.23757	0.4
65.03924	0.9
67.05177	0.8
67.05511	10.0
68.35750	0.4
69.03429	1.8
69.07072	3.0
70.09428	1.7
71.05013	2.0
77.42460	0.4
79.05493	8.3
81.03439	0.9
81.07065	9.5
83.04975	1.8
83.08625	3.2
85.06543	0.9
86.21313	0.4
87.04465	2.5
87.04902	0.4
91.05483	15.5
93.06473	0.7
93.07050	11.5
95.04959	1.7
95.08611	7.8
95.87313	0.4
97.06544	4.1
97.10179	0.6
99.04502	0.4
99.08085	0.5
103.05490	0.6
105.07040	16.2
106.73868	0.4
107.04933	1.0
107.08607	7.5
109.06523	2.4
109.10162	11.0
111.08094	0.6
115.05455	1.1
117.07026	8.5
119.08591	14.3
119.09467	0.7
121.06492	1.0
121.10151	7.2
123.08045	1.3
123.11707	1.7
125.09652	2.1
128.06229	2.0
129.07005	9.6
130.07774	0.9
131.08574	16.0
133.06503	1.0
133.10138	8.3
135.08037	1.9
135.11716	3.9
137.09625	8.3
139.11127	0.5
141.06999	4.6
142.07768	3.7
143.08572	13.7
144.09332	0.8
145.06448	0.6
145.10130	13.7
147.08047	1.5
147.11697	8.6
149.09627	3.7
149.13252	1.5
151.11203	2.8
153.07005	0.7
154.07806	1.0
155.07385	0.8
155.08571	9.8
156.09334	1.5
157.10138	16.2
159.08072	0.8
159.11705	7.4
161.09586	2.3
161.13257	3.8
163.11197	1.6
165.06960	1.0
166.07718	0.6
167.08582	3.4
168.09387	1.2
169.10155	8.0
170.10851	0.5
171.08058	0.6
171.11693	11.8
172.12503	0.5
173.09663	2.1
173.13287	8.6
175.11180	6.4
175.14784	3.9
177.12740	1.9
179.08569	1.5
180.09479	1.0
181.10118	5.2
182.10918	1.8
183.11711	8.7
184.12500	0.6
185.09651	0.4
185.13254	4.7
187.11194	2.1
187.14815	7.2
189.12749	2.5
189.16331	0.8
190.13513	0.6
191.14253	0.7
192.09283	0.7
192.28336	0.4
193.10146	2.1
194.10893	0.9
195.11708	5.6
196.12531	1.1
197.13263	9.4
198.14055	0.7
199.11220	0.9
199.14827	7.4
200.15599	0.6
201.12825	2.1
201.16403	0.8
203.14459	0.6
206.10905	0.6
206.31012	0.4
207.11697	3.5
209.13261	7.5
210.14047	0.7
211.11200	0.9
211.14816	4.8
213.12923	4.5
213.16383	12.9
215.14394	6.5
215.17912	3.4
215.38556	0.4
217.15948	2.6
221.13184	2.5
223.14857	4.2
225.12756	1.8
225.16380	5.9
227.14354	8.6
227.17943	1.3
228.15141	1.2
229.12346	0.6
229.15932	1.9
235.14903	2.0
237.16418	1.7
238.17067	0.4
239.14272	1.5
239.17941	3.4
241.15883	2.9
241.19519	0.9
243.13847	9.9
243.17441	5.9
243.20963	0.9
248.15527	1.2
249.16397	1.7
251.18015	1.6
253.15921	1.1
253.19464	3.0
255.17429	0.6
257.15417	2.6
265.19550	1.6
266.16690	0.4
267.17529	1.9
267.21069	7.5
269.18872	2.2
271.17105	0.9
271.20590	2.6
277.19510	6.4
281.70578	0.4
283.20538	4.6
285.19025	0.7
285.22113	6.4
295.20593	27.0
313.21628	100.0
314.21976	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1646
Annotation	Thymol glucoside
Peak:m/z	Relative Intensity
53.03949	4.7
55.01871	5.3
55.05518	13.8
57.03437	7.7
57.07071	8.9
58.44908	1.7
61.02938	1.9
61.50148	1.5
62.44129	1.7
65.03946	1.4
67.05510	33.6
69.03433	24.1
69.07073	13.4
70.06604	2.9
70.19325	5.0
71.01354	1.9
71.04992	7.8
71.08633	2.3
71.80933	1.5
73.02930	2.0
74.26105	1.6
79.05495	18.8
81.03424	27.5
81.07059	62.3
83.04983	6.6
83.08615	6.1
85.02901	13.4
85.06548	6.1
91.05485	17.0
93.07044	28.7
95.04981	12.2
95.08614	100.0
97.02898	23.3
97.06531	13.2
97.10215	2.2
97.42970	1.6
98.20789	1.7
98.97598	2.0
99.04454	9.6
105.07038	24.7
107.04958	4.9
107.08602	54.2
109.02884	11.2
109.06528	12.7
109.10161	37.4
109.10905	1.8
111.04435	2.8
111.08092	5.9
113.06017	4.8
116.07127	1.9
117.07036	6.5
119.08582	19.2
121.06496	8.2
121.10154	15.7
121.15782	1.8
123.04477	1.9
123.08081	11.3
123.11713	76.7
125.06013	5.1
125.09628	3.6
127.03922	7.1
128.06232	3.2
129.07025	5.5
130.07755	1.9
131.04890	1.8
131.08566	11.3
133.06503	3.3
133.10147	15.3
135.08055	8.8
135.11687	17.5
137.05975	16.3
137.09613	5.9
137.13243	2.3
139.07555	4.1
141.06981	2.0
142.07719	2.1
143.08548	8.5
144.09254	1.7
145.06496	2.6
145.10126	14.9
147.08057	5.3
147.11694	15.6
149.05997	2.8
149.09618	16.2
149.13290	4.4
151.07579	4.7
151.11198	29.6
153.05563	2.1
153.09146	2.1
153.12793	4.0
155.07135	2.8
155.08511	3.8
157.06555	2.5
157.10220	8.3
159.08040	2.8
159.11728	12.9
161.06026	3.1
161.09644	15.9
161.13240	4.5
163.07562	2.8
163.11203	21.0
165.09171	2.7
165.12798	6.1
169.10132	2.9
169.12289	10.4
171.08032	2.2
171.11696	6.1
173.09637	6.3
173.13316	2.7
175.11183	12.3
177.12762	4.9
177.16518	2.0
179.07051	4.1
179.10712	7.5
181.10075	1.6
181.12267	15.7
183.08076	1.8
183.11659	3.2
185.09669	4.5
185.13278	2.4
187.11203	4.7
189.12775	7.3
191.10696	4.4
193.12256	8.8
195.11722	3.4
197.08099	4.8
197.13226	2.9
199.11218	2.7
201.12848	1.8
203.10654	2.4
205.12224	2.9
209.13380	2.3
211.11136	2.0
211.14998	2.3
213.12781	5.9
215.09169	15.1
217.12283	6.4
221.15369	2.7
229.12233	5.5
231.13834	4.4
241.12222	3.8
247.13324	6.4
259.13300	7.7
277.14401	13.8
277.19357	3.0
281.12964	2.8
295.15439	15.5
295.20389	8.1
302.39474	1.7
313.07443	2.7
313.10754	9.3
313.16379	14.6
313.21567	24.5
313.27252	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	313.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51643	1.1
53.03942	3.7
55.01865	4.0
55.05503	3.3
56.96295	1.8
56.96565	25.3
57.03440	8.4
61.02683	1.4
61.02932	13.0
67.05495	5.1
69.03079	1.9
69.03432	28.9
69.07053	4.0
69.42673	9.7
70.03766	1.6
70.06592	3.3
71.04992	3.9
71.95258	1.9
72.08186	1.4
73.02899	6.5
73.06538	2.3
79.05486	3.6
81.03403	11.1
81.07062	2.4
83.01344	1.4
83.05000	1.4
83.06084	1.5
83.08630	1.5
84.04510	1.3
84.08132	2.2
84.96036	6.0
85.02910	71.5
85.99225	1.3
86.03253	1.7
86.09691	1.4
87.04454	4.8
91.03953	5.4
91.05476	3.4
93.07045	1.5
95.05002	6.8
95.06099	14.7
95.08569	1.4
96.06438	7.0
97.02896	30.1
97.06556	5.8
98.06868	1.6
98.21020	5.1
98.97587	100.0
99.04454	5.3
100.07635	1.7
101.00854	1.9
102.96867	3.4
105.03400	2.9
105.07054	1.5
107.04919	1.5
108.08118	2.0
109.02904	8.3
109.06522	2.0
110.97559	11.3
111.04436	7.0
112.99147	1.4
113.06004	1.6
114.23720	1.3
115.03881	1.3
116.98627	31.1
119.01852	3.3
121.06477	2.1
122.06043	1.3
123.04369	1.7
124.99099	5.8
127.00704	1.9
127.03940	18.2
128.02322	1.2
128.98573	8.1
131.00186	2.1
131.01944	1.6
133.02794	1.6
133.10059	1.5
134.06027	1.3
134.99669	7.5
136.06194	6.3
136.07552	1.9
137.05980	3.2
140.02316	1.5
141.05522	1.6
143.00169	12.1
143.01900	2.4
145.01711	1.6
145.03397	1.7
145.03801	1.6
145.04947	11.7
146.02242	1.5
146.99628	3.0
147.04387	2.9
149.06015	1.6
151.03987	1.4
151.05092	1.4
151.09752	1.2
152.07068	4.2
155.04639	4.8
157.01717	4.3
158.99680	20.2
159.03288	1.8
159.04932	2.5
159.06447	1.4
161.01244	9.0
161.02922	2.9
161.04597	4.2
162.03569	1.5
162.99088	1.3
163.04063	1.7
165.05482	2.9
167.00197	1.5
167.07019	2.6
170.99644	4.3
175.02733	2.8
177.00722	11.9
177.04077	1.7
177.05542	1.6
179.07021	1.5
181.01726	2.2
182.03313	1.6
182.08134	1.9
185.01210	7.4
186.04393	1.6
187.02794	2.6
188.05066	1.6
189.00653	2.8
189.04253	2.3
190.04962	5.1
191.03909	3.2
196.04959	1.4
197.08095	4.8
201.00673	4.6
203.02274	10.6
203.03931	1.7
208.04947	2.6
209.01073	1.9
209.12906	7.7
210.13208	17.6
213.04231	1.3
217.05460	2.1
219.01767	17.9
221.03328	9.9
221.05228	1.9
223.02859	2.3
223.05470	3.7
226.01511	3.0
227.02362	2.2
232.05914	4.3
232.07935	5.2
233.06796	1.6
235.02827	9.1
237.02815	14.1
239.02307	1.3
239.04536	1.8
241.03824	2.7
248.99068	2.4
253.03914	8.6
259.06573	1.5
261.06326	2.3
263.04379	8.9
265.03845	3.5
267.00262	3.6
268.20230	1.9
269.03479	2.8
269.20514	20.7
269.23151	2.1
270.06723	1.7
271.04886	4.2
271.07635	5.2
273.08322	1.6
275.04398	1.6
280.07065	2.0
283.04871	3.6
289.07538	3.8
295.04916	5.3
303.07626	1.6
304.08139	3.5
309.08530	3.6
312.60251	1.8
313.05579	7.5
313.11060	8.8
313.14551	2.5
313.19290	2.7
313.27338	2.3
314.12149	3.5
319.06943	6.0
323.06503	3.8
329.05386	3.7
337.07965	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	312.1806
Annotation	Phomaligin A
Peak:m/z	Relative Intensity
55.01889	0.9
55.05509	1.7
55.14508	0.5
57.07063	0.4
62.95852	0.4
67.05506	1.2
69.07079	2.9
70.02958	1.1
70.06588	1.6
71.04972	0.7
71.41290	0.4
71.55592	0.6
73.02910	0.5
79.05509	3.0
80.05018	0.7
81.03426	1.2
81.07053	1.6
83.03470	0.5
83.04980	0.6
83.08614	0.7
86.09702	1.3
88.03993	3.3
91.05496	1.5
93.05814	0.6
93.07051	5.4
94.06573	1.4
95.08611	1.4
97.02891	0.8
100.03997	0.8
100.07594	0.6
105.07046	1.1
106.06541	0.8
107.08580	4.0
108.08125	21.6
109.02912	0.7
109.08952	1.0
109.10170	1.6
110.09703	1.6
111.08105	0.5
114.09182	0.5
115.77697	0.4
116.03481	1.0
116.07119	0.5
119.08569	1.2
122.06020	0.5
122.09673	10.8
123.10451	2.1
124.03943	0.5
124.07558	0.6
126.09145	0.6
127.03920	0.6
128.03441	1.0
133.10144	1.3
134.06093	0.5
135.11697	4.8
136.11215	4.4
137.05966	0.7
137.09572	0.6
146.04478	0.9
147.04416	0.5
150.12790	23.6
151.13574	10.1
152.07118	0.5
152.14316	0.6
161.13330	0.6
162.12830	1.7
164.14328	0.8
165.07811	0.6
166.08624	1.5
166.12314	0.7
168.10239	0.6
169.09727	1.1
178.15956	1.8
180.10217	1.3
186.11288	0.6
194.11835	1.6
195.16141	0.5
196.06081	3.1
208.09741	0.7
208.13333	2.9
210.07593	0.7
212.09193	0.6
214.07095	0.8
214.10764	1.4
222.14899	2.3
224.09160	1.3
224.12752	0.6
226.10852	0.6
238.10779	2.2
239.11604	0.9
250.14403	1.2
266.14044	1.1
268.15445	100.0
269.15637	0.6
270.17026	3.8
294.13593	0.5
294.16992	0.9
312.18048	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	311.2943
Annotation	2E-Phytenic acid
Peak:m/z	Relative Intensity
55.05516	22.5
57.07076	19.2
67.05508	25.5
69.07074	76.6
70.16767	5.3
71.08628	7.0
79.05486	10.4
79.33369	1.9
81.07062	100.0
83.08623	41.4
83.70311	1.6
85.06553	10.5
85.10152	2.0
88.30534	1.7
91.05453	1.7
93.07052	7.8
95.08611	93.2
97.10178	26.3
98.34829	1.8
99.08102	10.6
107.08616	10.9
109.10160	68.2
111.11721	30.0
113.09631	3.1
121.10137	6.8
123.11721	36.5
125.09599	1.8
125.13291	19.3
127.91616	1.5
135.11719	6.5
137.13257	27.5
139.14851	2.9
144.88661	1.8
149.13277	14.5
151.14825	12.7
155.14360	3.8
163.14850	3.7
165.16388	5.2
167.14316	2.4
169.15796	2.5
177.16461	1.8
179.17943	4.1
193.19534	3.6
205.19528	2.2
211.20535	2.3
237.39189	1.8
275.27344	3.1
293.28418	22.3
311.29700	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	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
55.05499	1.5
57.03429	1.5
61.02918	1.4
66.32265	0.8
69.03422	3.2
69.07071	58.2
69.37647	4.6
69.38058	1.4
70.06596	56.5
71.05017	1.0
72.04555	1.2
73.06558	10.3
79.05491	3.6
81.03405	2.0
81.07037	1.0
84.04511	1.3
85.02910	13.4
85.38693	0.8
86.09711	1.6
87.04467	1.0
87.08130	0.9
91.05502	2.0
97.02891	3.8
97.06534	18.1
98.97605	1.4
100.03996	1.1
100.87753	0.8
105.03393	1.3
109.02875	1.2
113.09642	1.1
115.07574	100.0
116.07098	4.1
119.04927	2.3
121.06496	1.0
123.04443	1.9
127.03943	2.0
127.08655	0.8
127.51533	0.8
130.72049	0.9
133.08611	42.7
136.05121	0.7
136.07578	8.3
145.04976	2.2
147.04408	2.2
161.04591	0.8
162.05484	1.6
163.03964	3.8
164.04366	1.4
164.07065	3.0
165.04309	1.5
165.05548	2.1
175.03882	1.4
182.08141	3.0
197.09235	2.8
206.11819	1.3
207.06488	2.4
209.12888	2.0
213.12357	17.4
221.02319	0.8
224.12787	2.3
253.11859	1.1
259.06030	0.9
266.10339	1.5
268.15472	2.1
276.08566	1.3
291.39972	0.8
294.09961	1.6
312.10883	3.4
312.14709	1.3
312.18323	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	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.44912	0.5
53.03933	0.9
55.01867	1.1
55.05516	40.6
57.03441	17.3
57.07079	18.2
67.05218	0.6
67.05508	6.4
69.07072	47.0
69.39056	1.8
69.39474	2.6
71.04995	0.9
71.08637	10.4
73.02932	0.7
73.06594	0.6
79.05494	5.4
81.07059	9.1
82.31050	0.5
83.04984	0.9
83.08624	38.4
85.10183	4.5
85.65807	0.6
93.07057	5.0
95.08612	5.8
97.06558	3.7
97.10176	26.1
107.08601	3.7
109.10171	1.9
111.08077	1.8
111.11728	7.7
121.10155	4.4
123.11732	1.6
125.09639	1.2
125.13286	2.2
135.11696	4.8
135.71063	0.6
138.50229	0.5
139.11192	0.9
139.14864	0.6
149.13292	1.9
151.66626	0.5
163.14847	0.9
209.11676	1.3
219.21066	1.3
237.11322	1.2
237.22253	1.1
289.65836	0.5
311.25833	100.0
312.26163	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.5
55.01891	3.9
55.05518	22.1
56.01002	2.7
57.03441	4.9
57.07063	13.7
57.07307	2.8
61.13556	3.0
63.37428	4.0
67.05509	39.6
68.05792	3.1
69.06732	4.0
69.07076	58.4
71.08638	3.7
79.05490	21.9
81.03414	6.0
81.06647	4.2
81.07064	43.0
83.04973	4.1
83.08628	20.4
91.05485	31.5
93.06479	5.8
93.07053	100.0
95.04984	50.6
95.08616	86.7
97.06546	35.1
97.10168	9.8
103.05464	2.8
105.07036	62.9
107.08594	47.5
109.06529	16.4
109.10165	35.6
111.08034	3.0
117.07019	12.3
119.08592	59.9
119.09426	2.5
121.06510	15.4
121.10155	50.6
123.08086	18.4
123.11726	16.9
128.06213	5.3
129.06976	4.9
130.07803	3.5
131.08577	20.8
133.10136	33.3
135.04439	6.1
135.08029	11.1
135.11690	13.8
137.09602	8.8
137.13287	6.4
142.07721	4.8
143.08568	14.5
144.09393	3.4
145.10136	32.5
147.11674	19.5
149.09636	4.3
149.13298	7.7
154.35054	3.4
155.08578	7.6
157.10178	22.0
159.11687	48.0
161.09599	14.5
161.13257	11.3
163.11156	4.1
169.10107	10.0
171.11700	15.6
173.09529	4.3
173.13272	12.9
175.14832	9.5
177.16339	21.5
183.11725	7.8
185.13266	8.8
187.11229	6.0
187.14818	9.3
189.16394	14.8
197.13243	7.8
199.14795	7.7
201.16376	12.3
209.11668	15.5
209.13382	6.2
211.14822	9.2
213.16380	5.6
215.17937	9.7
219.17395	6.4
223.14821	3.6
237.11220	13.8
237.16394	4.9
241.15897	4.0
243.12094	6.3
264.32761	3.2
273.13107	6.9
293.22684	6.3
311.23682	31.3
311.26282	12.6
325.81876	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	311.2368
Annotation	Desogestrel
Peak:m/z	Relative Intensity
50.53383	0.1
53.03945	0.4
55.01869	0.4
55.05511	2.4
57.03441	0.4
57.07078	1.5
59.04992	0.3
65.03952	0.2
67.05508	4.7
68.99773	0.2
69.03429	0.2
69.07067	2.9
71.04984	0.4
71.08622	0.4
77.03905	0.4
79.05495	2.4
81.07059	7.5
82.98450	0.2
83.04970	0.8
83.08622	2.4
85.06546	0.3
91.05475	3.1
91.06026	0.3
93.07045	4.9
95.04948	0.6
95.08613	5.8
95.21085	0.2
97.06534	1.1
97.10165	1.7
99.08087	0.6
103.05404	0.2
105.07032	6.6
107.04890	0.2
107.08595	6.0
109.06528	0.9
109.10159	6.7
111.08060	0.7
115.05444	0.3
117.07018	2.8
119.08585	9.0
121.10147	4.7
123.08070	2.8
123.11706	4.9
125.09630	1.4
127.11097	0.2
128.06133	0.2
129.07001	1.6
130.07780	0.6
131.08574	8.2
132.09305	0.5
133.10133	4.9
135.04417	4.7
135.05426	0.2
135.08029	0.4
135.11703	3.6
137.09624	1.0
137.13232	0.3
139.11157	0.6
141.06975	0.4
142.07774	0.8
143.08562	3.7
144.09349	1.8
145.10129	7.8
146.07269	0.2
146.10883	0.2
147.11691	4.7
149.09607	0.4
149.13268	1.4
151.11191	0.9
153.05486	0.3
153.12669	0.3
154.07693	0.2
155.08540	1.3
156.09297	0.6
157.10136	5.9
158.10939	1.4
159.11693	19.3
160.12462	1.0
161.09625	7.1
161.13254	5.4
163.11195	0.8
165.12793	1.0
167.08557	0.5
168.09320	0.4
169.10127	2.5
170.10939	0.5
171.11691	4.3
172.12450	0.5
173.13264	15.2
174.14034	1.5
175.11133	0.7
175.14886	1.0
177.05539	0.4
177.12766	3.0
179.14246	0.2
179.19409	0.2
181.04967	0.3
181.10146	1.2
182.10861	0.4
183.11688	4.2
183.13223	0.3
184.12479	0.3
185.13269	3.7
187.11168	0.5
187.14819	5.2
189.12767	1.2
189.16399	0.7
191.14278	0.2
193.10013	0.3
194.10968	0.3
195.11697	2.6
196.12486	0.8
197.13245	2.8
198.13997	0.5
199.11218	0.3
199.14824	3.5
200.15559	0.3
201.12733	2.6
201.16347	1.1
203.14276	1.6
205.15807	0.2
207.11746	0.4
208.12405	0.3
209.11487	1.3
209.13394	2.2
210.14061	1.0
211.14806	2.6
212.15550	0.2
213.12830	0.9
213.16364	3.8
215.14349	1.5
217.15837	0.6
221.13252	0.3
223.14807	2.5
225.16377	10.5
226.17006	0.6
227.14304	0.6
227.17978	2.4
229.15846	0.5
235.14778	0.4
237.11162	1.3
237.16399	1.7
239.17905	0.9
240.18704	0.2
241.15808	1.1
241.19435	0.4
249.16278	0.2
250.17157	0.4
251.17946	1.6
253.15901	0.4
253.19534	0.9
253.57484	0.2
255.12253	0.5
255.17433	1.9
255.21033	0.3
263.18002	0.4
265.19467	0.3
267.17551	0.3
267.21130	0.4
268.18155	0.8
269.18985	4.3
269.22324	0.4
278.20230	0.4
281.18961	0.3
283.20529	0.8
283.23978	0.4
293.22607	3.9
296.21280	0.7
311.16452	4.3
311.23660	100.0
312.24020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03939	5.0
55.01874	5.7
55.05513	30.5
56.96558	5.3
57.03421	2.7
57.07061	4.0
67.05510	57.1
69.03415	3.7
69.07069	36.8
71.04985	6.2
71.08618	3.0
76.15323	2.0
79.05494	27.6
80.87216	1.8
81.03419	4.8
81.07061	73.1
83.04972	7.1
83.08618	19.7
85.06536	7.4
91.05488	25.7
93.07053	36.0
95.04974	10.1
95.08614	51.7
97.02864	2.2
97.06529	7.7
97.10168	17.2
98.20734	4.5
98.97578	3.9
99.08089	5.8
100.07130	1.8
101.61569	1.6
105.06385	2.9
105.07030	34.5
107.04945	6.3
107.08598	30.2
109.06514	7.2
109.09467	3.2
109.10159	42.2
111.08080	4.7
111.11708	3.9
115.05354	1.7
116.98650	2.3
117.07010	7.8
119.08586	28.9
121.06529	4.4
121.10156	21.2
123.08052	6.8
123.11727	10.5
125.09643	12.6
125.13269	2.4
129.06920	2.1
131.08560	16.8
133.06526	3.0
133.10132	27.3
135.08054	7.2
135.11710	10.2
137.09622	7.8
137.13274	5.3
139.11189	4.3
143.08563	6.2
145.10144	15.8
147.08063	2.8
147.11719	15.5
149.09656	11.1
149.13248	8.4
151.11185	3.1
155.10622	2.3
157.10138	5.0
159.08099	3.1
159.11722	15.3
161.13232	3.0
163.11217	8.8
163.14839	2.9
165.09047	2.7
165.12828	2.3
166.36203	2.2
169.10150	4.7
171.11668	6.4
173.11755	6.7
173.13264	8.1
175.11128	2.8
177.12698	3.1
181.10162	3.4
182.10843	2.0
183.11702	4.0
185.13231	2.9
189.11227	5.5
189.16498	2.0
193.12273	2.1
195.13615	2.3
197.13286	3.6
199.14793	5.1
201.16360	2.0
213.16563	2.2
229.19522	3.5
235.16895	3.2
237.18590	2.3
239.17943	8.6
245.80222	1.9
247.20563	3.6
257.19052	13.3
265.21637	3.2
270.55087	1.9
275.20084	100.0
293.21176	20.8
293.28305	4.0
311.20050	9.3
311.23276	2.4
311.29498	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	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03937	3.3
55.01865	4.4
55.05519	15.7
56.96575	2.8
57.03424	3.1
57.07078	8.6
62.00537	1.4
66.31017	1.6
67.05506	26.4
69.03426	2.1
69.07070	31.3
71.04974	5.3
71.08624	1.9
79.05489	19.7
81.03406	2.0
81.06600	2.0
81.07063	33.1
83.01351	2.3
83.04994	9.0
83.08624	10.6
85.02908	8.8
85.06534	4.1
91.05487	16.0
93.07058	31.0
95.04955	5.3
95.08620	35.3
97.02915	2.3
97.06538	13.2
97.10146	2.6
98.97581	4.5
105.07030	9.9
107.04967	3.1
107.08618	18.8
109.06523	3.6
109.10158	13.2
111.04446	10.7
111.08103	10.8
111.11698	2.7
116.98627	4.2
117.07035	2.9
119.08595	8.9
121.06499	5.2
121.10140	8.2
123.08050	2.3
123.11678	4.3
125.05996	5.4
125.09640	1.8
131.08572	8.3
131.09396	1.5
133.10173	7.3
134.99686	1.8
135.04428	2.0
135.08093	3.0
135.11694	18.2
137.09596	5.1
139.07515	6.9
140.91481	1.6
143.08527	2.2
145.10118	5.6
147.11667	6.0
149.09612	3.4
151.11156	2.4
153.05469	4.6
153.12743	6.4
155.08488	1.9
157.10132	2.4
159.11664	3.1
161.13263	2.3
163.11148	3.7
163.14861	2.0
165.12804	2.2
167.19894	1.9
169.10170	3.4
173.13225	4.6
181.12268	2.5
183.11736	1.9
183.13774	1.9
209.11729	24.6
217.14342	13.2
229.19455	3.5
237.11223	17.4
247.20506	4.5
249.09579	2.3
251.60042	2.0
255.12161	5.2
257.18869	2.5
258.10019	2.1
265.21585	13.3
275.20074	30.0
293.21118	100.0
296.11981	2.4
300.11264	2.7
311.14185	4.3
311.23358	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	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01875	27.1
55.05514	51.5
56.69319	1.9
57.03434	4.8
57.07077	6.9
67.05508	44.9
69.03429	6.0
69.07070	24.6
69.54097	14.0
71.04993	15.6
79.05493	56.6
81.03414	5.5
81.06580	3.8
81.07059	78.7
83.04990	32.8
83.08630	28.7
85.02905	2.8
85.06559	2.5
85.84562	1.9
87.04453	2.3
91.05485	28.7
93.07049	36.1
95.04973	14.7
95.08620	37.8
97.06535	40.7
97.10172	39.3
105.07034	31.1
107.04969	7.9
107.08602	100.0
108.60349	2.0
109.06520	8.0
109.10167	12.7
111.04470	10.7
111.08076	9.1
113.05995	12.2
117.07033	8.2
119.06133	2.1
119.08568	15.1
121.06499	5.9
121.10152	15.5
123.08100	3.9
123.11728	5.3
125.06007	8.9
125.09639	79.9
129.07050	2.8
131.08562	12.9
133.10139	15.6
135.08072	7.9
135.11711	10.5
138.56682	1.9
139.11176	9.4
145.10147	14.7
147.08139	2.4
147.11719	12.8
149.09634	13.2
151.11145	2.5
153.05475	3.8
153.09158	2.4
153.12723	11.2
155.08545	3.3
157.10133	4.3
159.11647	9.2
161.09683	2.5
161.13326	2.1
163.11189	14.7
167.10715	4.4
171.10214	5.8
171.11595	2.4
173.13261	5.1
175.14848	2.0
177.12836	9.2
181.12263	9.2
187.11238	3.9
189.11235	32.9
189.12813	1.5
191.10614	4.1
191.14465	2.3
193.12317	4.4
195.13885	4.7
197.13321	2.1
205.12256	10.9
209.11691	14.9
211.13303	5.1
213.14844	7.1
219.13841	2.1
223.13290	19.9
229.19522	4.4
237.11197	13.6
239.17944	2.7
241.14365	6.7
247.20557	3.1
251.16422	4.8
255.12399	3.3
257.18994	8.5
275.20074	89.1
285.28360	2.4
293.21103	87.5
311.14340	5.4
311.22089	4.4
312.97833	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.07959	3.4
54.27885	3.1
55.01867	8.6
55.05523	19.6
57.03437	5.1
57.07078	28.0
57.14352	3.0
61.85337	2.9
63.58855	3.1
67.05515	45.3
69.03428	16.9
69.07082	18.6
71.04996	4.2
73.02897	2.9
79.05508	27.4
81.06590	4.7
81.07067	72.2
83.04967	10.9
83.08612	14.8
85.02921	4.6
85.06541	5.8
87.05347	3.2
91.05476	32.5
93.07055	36.9
95.04974	6.1
95.08608	32.4
97.06503	10.5
97.10138	4.9
99.08074	4.8
105.07033	31.7
107.04928	3.3
107.08611	27.3
109.02895	3.2
109.06512	7.8
109.10169	32.0
111.04437	13.1
115.58873	3.6
116.29419	4.0
117.07019	9.4
119.08594	24.5
120.87495	3.0
121.06412	2.9
121.10159	17.2
123.08074	6.8
123.11673	8.2
125.09633	11.5
131.08578	14.0
133.10139	45.6
133.96591	3.2
135.04390	4.1
135.08047	4.9
135.11674	11.1
137.09592	7.2
143.08546	3.6
145.10130	14.1
147.11714	12.4
149.09688	4.7
151.11185	22.0
153.05481	12.3
157.10188	6.0
159.11705	10.1
161.09634	5.3
161.13179	5.7
163.11177	11.3
166.28598	3.7
171.11682	6.0
173.09581	3.9
173.13239	8.0
177.12781	4.7
181.04958	4.2
181.12265	8.0
185.13222	4.5
189.11282	4.3
191.10626	9.8
195.13828	8.1
197.13203	3.3
204.89763	3.4
209.09758	6.7
209.11749	100.0
235.16954	12.5
237.11249	64.3
255.12379	19.1
257.19070	9.4
275.20120	54.0
284.13715	3.4
293.17599	9.2
293.21164	21.3
296.15469	3.7
311.14120	6.6
311.20233	6.4
311.23602	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	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.05206	3.9
53.03935	6.7
55.01868	11.1
55.05512	45.3
57.03441	25.7
57.07066	24.3
67.05505	69.5
69.03421	8.0
69.07067	43.8
71.05001	30.7
71.20200	6.0
71.20532	5.1
76.57877	3.8
79.05482	54.9
81.03378	5.2
81.07056	77.5
83.04961	13.6
83.08625	18.0
85.06528	7.9
91.05474	38.4
93.07043	68.6
95.04967	5.4
95.08614	55.7
97.06537	16.5
97.10179	23.2
99.08080	9.7
101.09609	3.9
101.47387	3.4
105.07047	37.4
107.04959	9.0
107.08599	52.2
108.42508	4.2
109.06516	8.8
109.10167	32.2
111.04466	9.8
111.08089	24.9
115.07578	6.9
117.07018	16.7
119.08593	28.1
121.06538	4.0
121.10139	43.7
123.08025	8.2
125.09623	14.5
127.07646	4.7
129.07040	6.0
131.08580	23.7
133.10123	30.2
135.08028	6.5
135.11678	13.9
139.11168	23.8
143.08545	5.9
145.10141	21.9
147.11720	19.8
149.02310	3.8
149.09641	13.7
151.11166	4.9
153.05519	6.5
157.10120	9.1
159.11694	17.2
161.13284	9.8
163.11197	8.3
165.72255	4.2
167.10744	4.3
171.11732	10.3
173.13138	8.2
175.11032	6.1
181.12381	5.0
185.13306	11.2
187.14906	5.0
189.11203	4.9
191.10608	7.3
193.04933	7.2
201.16374	6.1
203.12738	29.5
203.14317	5.6
205.15884	6.5
209.11742	59.9
219.17535	9.8
221.15326	7.8
228.29988	3.7
237.11241	54.5
239.17989	8.4
255.12350	7.7
257.18918	12.1
275.20065	100.0
293.20987	25.5
311.13104	13.0
311.18753	5.3
311.24304	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	311.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24176	0.8
53.03938	3.6
54.51918	0.7
54.94992	0.8
55.01860	2.3
55.05507	3.8
57.03446	6.3
61.02933	2.0
65.98331	0.9
67.05512	4.9
69.03435	23.0
69.07061	2.4
69.52941	5.8
71.04993	2.4
71.77434	0.8
73.02919	3.0
75.04473	3.7
76.47840	0.9
79.05064	1.3
79.05495	19.2
81.03421	15.7
81.07056	7.6
82.07413	1.1
83.04990	1.7
85.02911	16.5
86.95748	0.8
87.04474	2.0
91.05480	17.8
93.07050	83.1
95.04977	3.4
95.08605	3.7
97.02910	6.8
97.06540	1.5
99.04462	3.7
103.05486	1.1
105.07038	11.8
107.04962	1.7
107.08593	11.2
109.02888	6.6
109.06479	1.4
109.10166	2.5
111.04468	1.6
111.08097	1.7
111.82449	0.9
116.06281	1.0
117.07025	4.0
119.08589	62.7
121.06510	3.4
121.10152	100.0
123.08089	1.8
123.11716	2.9
125.06001	1.9
127.03941	5.5
129.05463	3.0
129.07024	2.6
131.08578	7.6
133.06493	1.2
133.07611	0.9
133.10112	5.7
135.11720	1.7
137.05995	2.8
137.09590	1.0
139.11211	1.3
143.08553	1.4
145.04974	3.4
145.10155	4.0
147.08032	1.1
147.11745	1.3
149.09636	30.7
149.13280	1.1
156.68268	0.9
157.10100	1.8
159.08046	1.1
159.11691	2.3
163.11147	2.1
165.09074	1.2
167.10670	13.0
171.11687	0.9
173.09564	2.0
175.11119	1.8
187.11218	2.7
191.10637	1.0
211.11099	1.0
213.12843	0.9
215.10687	1.7
218.11577	0.9
219.08028	1.4
219.12115	1.7
245.11708	1.1
251.10652	1.1
275.20096	1.0
279.10172	2.0
283.15387	3.5
293.13812	7.2
311.09189	1.3
311.14917	2.6
311.20071	2.5
311.23331	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1489
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
51.02385	0.7
52.55324	0.4
53.03946	5.0
55.01869	1.6
55.05511	2.6
57.03440	5.3
60.39125	0.4
61.02921	1.4
65.03925	0.8
67.05502	1.9
69.03433	23.7
69.07053	0.4
70.18501	1.7
71.04995	1.8
73.02911	2.3
75.04459	0.8
77.03933	1.0
77.95874	0.5
79.05497	29.5
80.54369	0.4
81.03423	23.7
81.07059	4.7
83.04980	1.1
85.02911	16.0
87.04478	1.1
91.05486	21.5
91.29241	0.5
93.07048	100.0
95.04984	3.9
95.08635	3.0
97.02895	7.4
97.06535	0.9
99.04454	3.0
100.78245	0.4
103.03955	0.6
103.05457	2.5
105.04538	1.5
105.07039	14.1
106.07809	0.9
107.04958	0.9
107.08598	19.7
109.02888	10.1
109.06515	1.9
109.10140	0.8
111.04430	1.0
111.08113	2.3
115.05458	0.6
116.06229	2.2
117.07030	1.9
119.08588	24.6
121.06539	3.5
121.10149	97.4
122.10458	0.5
123.08075	2.0
123.11726	1.3
125.05990	0.8
127.03940	6.7
129.05527	0.9
129.07013	1.8
131.07596	0.6
131.08577	11.5
133.07635	1.5
133.10118	4.1
135.11690	0.8
137.05946	1.2
139.11182	1.3
143.08511	0.5
145.04965	1.8
145.10124	1.8
147.08049	0.9
147.11694	0.5
149.09628	35.2
155.08449	0.4
157.10156	0.5
159.08057	0.9
161.09688	0.8
163.11232	0.6
167.10692	8.8
172.08900	0.4
173.09673	0.6
187.11255	0.7
189.09146	0.5
191.10727	0.8
194.34279	0.5
201.12735	0.8
213.07507	0.9
219.08124	0.5
239.27773	0.6
247.13217	0.6
247.92015	0.5
251.10773	0.6
275.12759	0.9
283.15350	1.3
293.13797	8.7
311.15060	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	311.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.5
55.01868	5.8
55.05509	2.6
55.96798	2.6
56.96573	5.6
57.03447	16.3
61.02917	8.1
65.37644	2.4
67.05501	5.6
69.03434	53.8
69.07076	4.7
69.93143	4.5
69.93557	7.6
70.06593	2.5
71.01354	5.0
71.04986	10.0
73.02909	7.8
79.05500	4.7
81.03416	10.2
81.07087	2.9
83.04931	2.8
84.04517	12.9
84.08133	2.1
85.02910	39.9
91.05505	11.1
95.04964	5.2
95.08597	4.4
96.05364	2.5
97.02909	45.8
97.06505	3.7
98.97595	8.9
99.04464	8.0
101.02366	2.9
102.05516	2.4
102.95472	2.3
103.03954	5.9
103.05486	9.5
105.03386	9.1
107.04979	8.9
109.02899	6.6
111.04446	3.9
113.06001	5.9
113.09578	4.6
114.06316	4.3
115.03951	13.6
115.05457	6.4
116.98627	2.7
117.03393	2.6
117.06978	4.2
118.03762	2.8
119.04962	19.7
121.06527	5.7
122.03665	4.2
123.04439	7.4
127.03928	30.1
128.98639	2.8
129.05521	3.5
129.06992	3.0
130.04962	3.9
131.04921	21.3
131.07016	8.7
131.10674	3.0
132.07385	9.0
133.02808	3.4
133.06487	2.3
135.04442	10.7
135.72971	2.1
136.04788	2.8
136.07579	11.5
137.05992	100.0
141.06982	5.5
143.04944	2.9
145.02856	2.6
145.04968	6.7
145.06485	7.6
146.03239	2.6
147.04428	23.9
149.05986	29.4
149.11723	5.3
151.03885	10.8
151.07556	8.2
155.04738	2.5
157.06525	3.1
159.04419	9.4
160.05212	9.2
161.05978	7.6
161.07126	9.5
162.03064	6.0
163.03931	17.1
163.07552	15.7
164.04253	25.9
165.05438	12.6
167.07079	11.9
169.06535	9.1
172.05138	2.7
173.06036	3.3
175.07541	12.0
176.04788	6.0
177.05475	54.2
177.09026	3.4
179.07069	16.9
182.08154	11.8
186.06860	3.1
187.07602	11.2
189.05473	3.0
189.09245	2.4
190.06226	2.9
191.07025	47.6
197.05997	12.3
199.07762	3.5
200.04666	3.0
203.07021	17.7
205.08618	3.6
207.06581	4.0
215.07043	19.1
217.08527	3.3
219.01764	4.1
221.08072	8.3
229.08588	18.6
233.08110	12.1
245.08311	2.4
255.12016	2.2
257.08099	8.3
275.09277	7.4
293.10519	9.9
311.11801	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	310.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.3
57.07064	2.1
61.02919	2.4
67.05505	11.5
69.03418	3.3
70.63661	1.7
71.04991	2.3
73.02916	1.9
81.03410	1.7
85.02905	11.9
85.06543	7.0
88.25743	0.8
95.04977	17.7
95.90314	1.0
97.02880	3.9
113.06010	100.0
117.03368	2.1
120.08094	0.9
126.44850	0.8
127.03917	2.0
131.07051	85.9
135.04422	2.1
145.02861	1.1
145.04977	2.8
154.37041	0.9
163.03922	15.2
163.06093	1.1
292.11746	1.7
293.12411	1.0
310.13144	1.8
310.17331	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62182	0.2
51.11829	0.3
63.02382	0.3
70.99095	0.5
70.99426	0.5
79.05512	0.7
80.36394	0.3
84.04501	2.4
89.03400	0.4
89.03919	4.7
90.72733	0.2
102.05521	0.6
107.04955	2.4
113.09670	0.4
117.03385	8.3
121.37936	0.3
125.06119	0.3
130.05006	3.8
135.04424	16.2
145.02849	12.8
145.03987	0.6
148.06052	4.7
163.03908	100.0
177.05492	0.6
232.24127	0.3
310.09421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	39.5
57.07081	40.7
59.05007	6.8
67.05516	40.6
69.07075	65.0
71.08626	21.6
71.54885	9.6
81.07056	79.2
83.08631	46.8
85.06553	9.3
85.10148	8.8
90.31762	5.6
95.08616	100.0
97.10181	40.2
109.10163	57.4
111.11737	29.6
123.11697	14.8
125.13290	14.4
151.14867	8.8
157.21994	5.8
296.92029	6.0
309.31943	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	310.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58386	0.3
57.07882	0.2
65.42210	0.2
70.67519	0.6
79.05489	0.9
84.04510	2.3
85.02908	0.3
89.03924	6.1
91.05444	0.3
92.44971	0.3
95.04954	0.4
102.05537	1.1
107.04950	2.3
117.03384	10.1
130.05006	3.2
131.07004	0.3
135.04424	18.9
145.02853	12.5
145.03871	0.3
148.04924	0.3
148.06053	5.1
154.02461	0.3
163.03909	100.0
164.04285	0.3
166.61223	0.3
177.05525	0.7
204.07356	0.3
310.08435	0.6
310.12701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2789
Annotation	Viteagnusin D
Peak:m/z	Relative Intensity
53.03933	1.7
55.01859	1.8
55.05514	28.1
57.03436	2.2
57.06871	0.8
57.07084	8.7
59.05003	4.3
65.03943	1.6
67.05136	0.8
67.05508	28.4
69.03428	4.0
69.07072	70.1
69.82618	3.4
69.83041	1.9
70.06560	0.8
71.04990	6.1
71.08633	4.4
72.08160	1.2
73.06578	0.8
78.03008	0.9
79.05492	16.6
81.03428	2.4
81.07062	100.0
83.04990	1.9
83.08627	24.1
85.02905	1.3
85.06551	8.8
85.10171	0.9
91.05470	7.1
91.13683	0.9
93.07051	24.3
95.04965	2.5
95.08611	75.8
97.06554	7.9
97.10174	18.0
98.20772	0.9
98.97597	1.1
99.08112	11.4
100.11250	1.3
104.43845	1.0
105.07034	9.3
106.77259	0.9
107.08604	31.1
109.02881	3.9
109.06545	2.0
109.10164	53.0
111.08099	9.8
111.11723	9.0
113.09652	6.8
119.04936	1.6
119.08595	8.3
121.10144	22.0
123.08078	2.1
123.11722	32.0
125.09633	6.9
125.13266	2.6
127.03900	1.7
127.11209	1.9
129.09142	1.6
129.12820	1.0
131.08632	1.7
133.10158	5.8
135.11696	16.0
137.09599	1.3
137.13272	9.7
139.11191	17.9
141.12830	1.3
143.08572	1.0
145.10123	2.4
145.22946	0.8
147.04446	5.6
147.08080	0.9
147.11719	7.0
149.09634	1.4
149.13269	20.7
151.11186	1.5
151.14798	5.8
153.12741	3.5
157.10112	1.2
161.13249	3.7
163.14850	11.8
165.09103	1.7
165.12794	2.1
165.16400	2.9
167.14328	2.2
175.14859	2.6
177.16394	7.6
179.17955	1.7
181.15901	1.0
182.15401	2.1
189.16441	3.4
191.17986	5.9
193.15991	1.1
193.19588	1.4
195.17522	1.6
203.18002	3.9
205.19461	6.8
206.07101	0.9
209.18938	1.4
210.14922	1.3
213.12793	0.9
217.19478	5.7
223.20543	1.6
231.21146	1.3
235.20522	1.8
247.24344	0.9
261.25732	8.6
273.18594	1.5
273.25769	5.8
277.18857	1.2
279.26837	27.9
291.19666	2.7
291.23538	2.2
291.26807	25.3
296.58585	0.9
309.20923	1.0
309.24222	2.3
309.27829	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	309.2787
Annotation	Viteagnusin D
Peak:m/z	Relative Intensity
50.58632	1.6
53.03937	3.0
53.49619	1.4
55.05262	1.9
55.05510	20.0
57.07077	17.8
61.02938	2.3
67.05505	32.1
69.07070	55.9
69.21559	14.3
70.97746	1.5
71.04993	1.5
71.08646	8.0
78.35605	1.3
79.05495	20.8
81.07057	83.6
83.05020	1.9
83.08618	30.7
85.10185	3.2
91.05488	10.0
93.07049	42.0
95.04980	4.4
95.08608	100.0
97.06533	3.1
97.10168	19.9
98.21522	3.4
105.07039	13.7
107.08595	36.6
109.06548	2.5
109.10157	55.7
111.08070	3.6
111.11725	12.0
119.08604	10.2
121.10148	36.9
123.08135	2.4
123.11702	29.8
125.13265	14.6
128.69072	1.5
133.10132	7.9
135.11693	40.9
137.13261	23.8
139.11160	8.4
142.26468	1.7
147.11688	12.8
149.13258	31.0
151.11324	1.5
151.14835	7.5
153.12755	3.2
161.13312	5.7
163.14838	16.8
165.12712	3.2
165.16431	5.0
175.14772	4.1
177.16338	9.2
179.17998	2.2
181.96104	1.4
189.16435	6.4
191.17955	10.7
203.17958	5.2
217.19501	4.7
231.21095	1.7
234.44781	1.7
247.24210	4.0
253.04268	1.5
267.11816	2.2
273.25726	20.7
291.26865	12.8
309.27844	14.7
310.23242	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2788
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03933	4.4
55.01866	2.4
55.05509	23.6
57.03443	2.0
57.07083	12.4
59.04990	4.8
67.05177	2.2
67.05511	28.5
67.05841	3.4
69.03419	4.5
69.07071	59.7
69.38724	11.8
70.06599	2.0
71.05007	2.0
71.08630	5.3
79.05495	20.6
81.03407	5.2
81.07063	100.0
83.04980	4.1
83.08620	24.1
85.02892	2.9
85.06560	15.0
91.05486	10.2
93.07047	33.8
93.95084	1.6
95.04939	2.2
95.08611	89.1
97.02906	3.6
97.06540	6.5
97.10191	12.8
98.97538	1.8
99.04434	2.2
99.08103	8.5
105.04675	1.6
105.07043	21.3
105.91482	2.2
107.08600	39.7
109.02838	4.0
109.06498	4.6
109.10162	60.5
111.04429	2.6
111.08099	10.1
111.11725	16.9
113.09640	6.8
119.08585	14.7
121.10141	27.7
123.08057	3.0
123.11711	33.5
125.09651	5.0
125.13275	7.2
127.03917	6.9
133.06400	2.2
133.10156	9.4
135.11687	25.3
137.09590	2.5
137.13249	13.7
139.11195	5.4
145.10123	4.4
147.11688	11.4
149.09622	1.8
149.13269	16.9
151.11156	2.0
151.14841	5.1
153.12749	2.1
159.07962	1.7
159.37061	1.7
161.13284	11.6
163.11168	3.1
163.14835	17.3
165.12755	5.1
169.15849	3.4
175.11110	2.4
175.14841	4.0
177.16423	5.4
181.12199	3.5
181.15884	4.2
187.86113	1.6
189.12825	2.0
189.16373	3.0
191.17943	15.7
193.19481	2.5
205.19556	3.6
209.19194	1.6
217.19510	16.3
235.20621	10.8
241.32416	1.5
247.24356	1.5
248.48029	1.6
253.21629	2.5
264.19513	2.7
270.38486	1.7
273.25797	3.4
279.26785	3.3
291.19501	2.3
291.26678	8.5
309.11304	2.3
309.17062	4.7
309.27945	9.5
310.20068	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	309.279
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
50.98858	0.9
52.04042	0.9
53.03942	3.1
55.01873	3.5
55.05517	29.8
57.03431	2.0
57.04150	0.9
57.07087	9.6
59.05004	2.7
64.34583	1.1
65.03950	0.9
67.05511	32.0
69.03423	3.9
69.07076	80.5
70.73834	2.3
70.74179	0.9
71.05002	7.3
71.08629	4.2
73.06551	1.4
79.05499	18.3
79.29437	0.8
81.03447	1.2
81.07064	100.0
83.04981	2.1
83.08624	27.7
84.08184	1.2
84.94908	1.1
85.06553	8.6
85.10186	1.4
91.05486	8.1
93.07054	28.7
95.04960	2.2
95.08617	78.0
97.06548	8.6
97.10178	19.2
98.97581	1.0
99.08090	10.5
100.11293	1.9
105.07053	9.3
107.04939	1.5
107.08607	29.6
109.02903	1.8
109.06522	2.9
109.10168	57.1
110.92687	0.9
111.04454	1.1
111.08084	11.3
111.11706	9.8
113.09674	6.3
117.07019	1.4
119.08583	9.3
121.10154	20.1
123.08081	3.2
123.11724	29.4
125.09651	7.9
125.13288	3.2
127.03912	1.0
127.11179	1.2
131.08551	2.3
133.10135	5.5
135.08087	1.3
135.11713	18.2
137.09627	2.3
137.13271	11.2
139.11197	18.6
141.12749	2.0
143.08656	1.2
147.04413	3.9
147.11711	6.6
149.09645	1.1
149.13266	19.4
151.11200	1.0
151.14841	5.5
153.12761	3.7
157.10196	1.2
159.11714	1.4
161.13248	5.1
163.11185	1.0
163.14841	12.1
165.09200	1.7
165.12822	1.5
165.16377	2.3
167.14336	2.4
175.14830	2.4
177.16425	7.6
179.17940	1.1
182.15472	2.5
188.57367	0.9
189.16408	3.2
191.17984	5.3
193.19519	1.6
203.17987	3.9
205.19551	4.3
217.19539	3.8
219.21080	1.1
221.19096	1.8
233.22520	1.1
235.20506	2.2
247.24127	1.3
261.25787	8.3
273.18454	1.4
273.25806	5.4
279.26843	24.7
291.19684	2.9
291.23523	1.8
291.26810	26.4
309.10913	2.0
309.17853	1.0
309.21805	1.9
309.27863	27.9
328.11234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03941	5.7
53.07901	2.2
55.05508	21.7
57.03439	7.2
57.07084	2.8
59.04996	2.5
65.03955	2.1
67.05511	54.1
68.69849	2.1
69.07073	22.1
69.84757	7.0
69.85175	3.3
71.08634	44.4
79.05498	50.9
81.03416	5.9
81.07063	60.2
83.04974	13.7
83.08620	13.5
85.06528	3.7
91.05492	27.1
93.07054	70.6
95.04963	12.1
95.08614	49.7
97.06523	9.1
97.10175	6.9
99.08103	43.2
105.07047	17.2
107.04980	4.9
107.08601	35.3
108.50238	2.1
109.06506	5.5
109.10160	23.3
111.08105	6.3
113.09671	3.4
115.28337	1.8
117.07047	6.6
119.08575	17.4
121.10156	43.6
123.11736	4.0
125.09678	2.7
129.07033	3.4
131.08575	8.0
133.10127	12.6
135.11710	43.6
137.09608	3.5
141.09068	3.2
143.08554	4.3
145.10158	7.2
147.11740	7.3
149.13286	15.8
151.11174	19.6
153.12700	2.5
157.10152	2.6
159.11687	5.9
161.13289	13.8
163.11192	8.2
163.14868	4.2
167.10696	2.3
171.11763	2.4
173.13295	2.5
175.11095	2.2
177.12772	4.2
179.14325	100.0
187.14909	2.9
189.12775	2.2
193.76183	2.3
195.13885	3.8
199.14818	3.1
203.17926	2.5
221.15486	3.4
235.17006	5.6
241.19595	3.4
242.79324	2.2
259.20633	8.0
277.21640	70.2
291.23267	15.9
309.21677	3.9
309.24707	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	309.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.5
55.01868	4.6
55.05515	14.9
57.03428	6.6
57.07076	2.6
65.03953	2.4
67.05507	33.3
69.07066	19.8
71.05002	3.9
77.32121	1.7
79.05496	36.4
81.03419	4.3
81.07059	42.4
83.05000	3.0
83.08620	6.6
91.05482	46.4
93.06479	4.3
93.07052	83.6
95.04973	55.9
95.08608	42.4
97.06532	22.4
97.10155	2.1
98.20702	3.8
103.05448	5.1
105.04517	2.8
105.07037	83.9
107.04920	3.5
107.08607	41.2
109.06509	14.6
109.10165	22.0
115.05450	5.0
117.07030	16.6
119.04931	2.3
119.08584	63.8
121.06495	12.4
121.10147	100.0
123.08081	10.0
123.11700	6.2
128.06252	9.6
129.06989	13.1
130.07799	6.9
131.08571	44.1
133.06522	3.4
133.07538	3.7
133.10135	42.0
135.08064	4.4
135.11714	8.9
141.06970	6.9
142.07782	15.2
143.08578	29.3
144.09340	7.4
145.06439	4.0
145.10127	55.4
147.08040	5.4
147.11691	13.7
149.09544	4.5
149.13286	3.4
153.07056	2.4
154.07765	3.3
155.08551	14.1
156.09306	9.5
157.08934	3.0
157.10147	34.3
158.10910	3.8
159.08044	3.5
159.10449	3.3
159.11707	42.1
161.09578	8.7
161.13245	7.2
163.11192	3.3
167.08554	4.0
168.09401	2.2
169.10152	20.8
170.10927	3.3
171.11690	21.8
173.09598	3.3
173.13271	21.9
175.11203	2.9
175.14836	8.9
179.08546	3.1
181.10057	4.7
182.10899	4.2
183.11717	11.5
184.12503	3.2
185.13260	11.4
187.11226	14.1
187.14827	23.9
189.12753	4.6
193.10173	4.7
194.10883	3.5
195.11723	6.9
196.12354	3.7
197.13315	12.2
199.14803	11.2
201.12747	2.9
201.16365	2.9
206.10880	3.9
207.11656	5.3
208.12535	3.1
209.13210	8.2
211.14833	10.0
213.12816	2.0
213.16460	3.4
215.14302	2.2
220.12399	3.2
221.13257	4.5
223.14835	6.2
225.16397	7.9
229.15848	2.2
235.14783	5.4
237.16228	2.4
239.14270	2.6
239.17960	4.6
241.19711	2.4
249.16406	3.1
253.15901	3.7
253.19463	4.6
265.19339	4.6
281.22681	5.4
291.20920	8.2
309.14819	2.3
309.22122	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	309.2213
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
55.01867	0.3
55.05313	0.2
55.05521	2.1
57.07057	0.6
58.86369	0.2
59.04999	0.5
63.22746	0.2
67.05512	2.0
69.03421	0.3
69.06776	0.2
69.07072	2.6
71.04995	0.5
71.08649	0.2
71.55363	0.3
79.05489	1.7
80.83176	0.2
81.03389	0.4
81.07061	3.2
83.04974	0.7
83.08620	2.3
91.05489	2.4
93.06531	0.4
93.07052	2.7
95.04978	0.6
95.07993	0.2
95.08611	4.5
97.06530	1.0
97.10179	1.0
98.83482	0.3
99.08096	0.7
105.06390	0.3
105.07039	3.2
107.08607	4.5
109.06501	0.6
109.10163	2.5
111.08087	0.6
115.05453	0.3
117.07016	0.9
117.07769	0.2
119.08597	5.0
121.10149	2.5
123.08076	2.2
123.11704	1.5
125.09637	0.7
127.05546	0.2
128.06215	0.7
129.07057	1.2
130.07751	0.3
131.08588	2.2
133.10150	2.8
135.11716	0.9
137.09659	1.3
141.06996	0.9
142.07785	3.0
143.08568	3.7
144.09360	0.6
145.10136	4.3
147.11705	3.9
149.09666	0.4
149.13228	0.3
151.11191	0.4
151.33861	0.2
154.07741	0.5
155.08574	2.4
156.09366	2.1
157.10138	17.0
158.10912	0.7
159.08018	0.3
159.11713	5.3
160.43097	0.2
161.09662	0.3
161.13264	0.6
163.11237	0.3
165.07068	0.5
165.12779	1.6
166.07782	0.4
167.08585	1.5
168.09341	0.9
169.10133	4.5
170.10950	0.7
171.11702	6.5
172.12482	0.5
173.09535	0.4
173.13281	1.7
175.11119	0.4
177.12790	0.4
179.08565	1.1
180.09366	0.6
181.10114	3.2
182.10922	1.3
183.10065	0.3
183.11694	5.8
184.12497	0.5
185.09686	0.3
185.13272	3.5
186.14046	0.5
187.11189	0.4
187.14839	0.9
189.12805	0.3
193.10147	3.4
194.10904	1.1
195.11687	3.9
196.12508	1.4
197.09619	0.4
197.13283	5.4
198.14067	0.4
199.11192	0.6
199.14873	1.3
201.12762	3.0
203.14285	0.4
205.10031	0.4
205.91078	0.2
206.10912	0.4
207.11693	1.2
208.12480	4.7
209.13281	3.4
210.14027	1.8
211.11287	0.5
211.14828	4.2
213.12572	0.5
215.14270	1.1
220.12505	0.4
221.13269	2.3
223.14833	17.4
224.15578	0.9
225.12848	0.6
225.16386	6.8
225.18515	0.4
227.14354	0.9
233.13153	0.4
234.14098	0.3
235.14900	1.4
237.16403	1.4
238.17157	0.9
239.14268	1.1
239.18019	1.0
241.15959	0.3
248.15720	0.3
249.16310	1.8
251.14333	0.4
251.17963	2.1
252.15085	0.6
252.18851	0.3
253.15884	2.0
253.19534	0.2
261.16422	0.3
265.19498	0.6
266.16675	0.6
266.20306	0.7
267.17447	3.5
267.21060	0.9
276.18713	0.4
279.17490	1.0
281.22635	1.0
291.21069	3.0
294.19742	1.9
309.22141	100.0
310.22525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03935	10.0
55.01855	4.9
55.05515	20.0
57.03420	6.7
57.07074	3.5
67.05509	37.3
68.57809	2.3
69.03436	2.8
69.06781	2.0
69.07069	21.6
70.36150	2.1
71.04984	5.0
71.15753	5.2
79.05500	35.0
81.03404	4.2
81.07062	54.6
83.04970	3.3
83.08614	10.3
91.05487	55.1
93.07047	87.9
93.21573	2.4
95.04974	58.5
95.08614	56.4
97.06506	20.9
103.05441	6.8
105.07037	91.2
107.04919	2.2
107.08599	51.2
109.06511	15.0
109.09591	2.2
109.10169	25.9
111.08073	2.5
115.05463	2.5
117.07034	22.2
119.08591	83.1
121.06514	11.3
121.10155	100.0
123.08089	14.9
123.11681	6.8
128.06218	13.4
129.06996	10.6
130.07764	6.7
131.08575	38.9
133.06483	2.9
133.10150	49.7
135.08067	6.4
135.11696	16.0
141.06985	6.1
142.07776	17.7
143.08571	35.4
143.09689	3.8
144.09309	8.2
145.06407	2.9
145.09045	4.2
145.10127	60.5
147.08037	5.3
147.11688	16.2
149.09634	4.7
149.13295	2.9
153.07024	2.4
154.07745	3.1
155.08557	12.2
156.09340	9.1
157.10133	43.1
158.10873	4.4
159.08002	2.5
159.11705	47.9
161.09633	9.3
161.13199	10.2
163.11218	3.3
167.08572	6.2
168.09329	2.9
169.10106	21.5
170.10907	4.6
171.11717	25.0
173.09557	5.4
173.13251	17.1
175.11127	3.2
175.14876	11.3
179.08559	5.0
180.09297	2.4
181.10118	10.2
182.10876	5.9
183.11681	17.2
185.09602	3.3
185.13306	13.6
187.11176	17.5
187.14832	24.3
187.61214	2.4
189.12723	2.4
192.09271	2.7
193.10133	6.7
194.10915	4.1
195.11650	8.9
196.12399	3.3
197.13297	17.6
199.11192	2.8
199.14816	11.5
201.12755	5.2
206.10753	2.8
207.11691	7.8
209.13225	9.9
210.14043	3.3
211.14751	10.4
213.16406	5.8
215.14320	4.4
220.12398	3.9
221.13214	4.4
223.14771	8.1
225.12740	3.1
225.16318	7.2
233.13159	2.7
235.14781	9.5
239.17909	4.3
240.18796	2.6
241.15883	3.1
249.16380	5.3
253.15915	10.8
265.19418	5.4
281.22577	9.4
290.64331	2.6
291.21326	11.5
309.18515	5.2
309.22061	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03941	3.1
55.01882	17.9
55.05517	28.0
57.03435	5.7
57.07082	2.7
59.04993	1.4
65.03945	3.4
67.05515	68.8
69.03429	5.9
69.07075	22.9
69.40742	3.5
69.41153	8.1
71.05003	9.8
79.05502	39.9
81.03438	3.6
81.07068	80.8
83.01342	3.1
83.04999	13.2
83.08639	10.8
85.02939	2.3
85.06561	8.2
91.05495	54.7
93.07058	45.8
95.04971	10.9
95.08624	25.1
97.02904	2.2
97.06559	6.4
97.10180	4.0
99.04488	4.4
99.08086	2.7
105.07049	55.9
107.04970	8.8
107.08610	55.1
107.72131	1.5
109.06534	10.3
109.10171	91.4
111.04482	5.2
111.08088	8.3
113.06028	4.1
117.07047	9.7
119.04943	1.7
119.08600	18.1
121.06528	12.5
121.10143	12.5
123.04433	1.8
123.08105	6.1
123.11716	16.0
125.06058	2.2
125.09640	5.1
127.07567	4.5
128.06314	1.9
129.07024	6.6
131.08571	11.8
133.06493	7.0
133.10149	100.0
135.08095	7.4
135.11725	7.8
137.05954	2.2
137.09633	5.2
139.07549	4.2
139.11241	2.0
141.07039	1.5
142.07773	2.1
143.08588	7.6
145.10130	11.8
147.08046	9.9
147.11691	5.4
149.09619	5.8
149.13255	1.8
151.11211	70.1
157.10168	4.2
159.08052	2.8
159.11728	4.6
161.09628	11.0
161.13359	1.7
163.11240	3.9
165.12791	1.4
168.91969	1.5
169.12260	23.7
171.11729	3.8
173.09700	1.8
173.13301	2.0
175.11200	4.1
177.09097	4.1
177.12810	2.0
179.10686	4.8
181.08630	2.7
181.12183	2.0
185.13303	2.8
186.40298	1.6
189.12756	3.5
197.11769	2.0
199.11253	3.4
203.14330	2.3
207.13884	3.1
213.12761	2.0
215.12770	9.0
217.12251	3.4
223.13371	2.0
227.18042	2.5
231.13756	1.8
237.16472	1.8
245.19035	15.4
255.17525	3.9
263.20087	15.6
273.18549	34.2
291.19467	65.0
309.20447	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03932	1.4
55.01862	3.0
55.05517	21.1
57.03430	1.5
59.05005	0.6
60.73083	0.7
67.05177	0.8
67.05510	10.7
69.03426	2.1
69.07078	9.0
70.06121	2.6
71.04972	1.1
79.05069	0.9
79.05500	11.7
81.03402	2.1
81.07063	13.3
83.04978	2.1
83.08627	11.4
85.06527	0.9
91.05491	7.6
93.07054	7.8
95.04979	5.1
95.08625	5.3
97.02892	2.6
97.06545	0.8
97.10180	15.8
97.10783	0.5
98.97592	0.8
101.09621	0.7
105.07026	6.1
107.04960	3.4
107.08598	8.0
109.06522	1.6
109.10194	3.2
111.04448	1.1
111.08067	1.6
117.07030	3.1
119.04911	0.9
119.08588	7.1
121.06487	2.7
121.10154	2.7
123.08099	5.4
123.11586	0.8
125.09641	11.7
129.06956	1.9
131.08575	4.6
133.06509	2.3
133.10129	2.3
135.08043	2.1
135.11711	1.1
137.09586	1.9
143.08565	1.9
145.10123	3.5
147.08064	3.0
147.11716	2.0
149.09622	0.8
153.09099	1.3
157.10143	1.5
159.11649	1.3
161.09630	2.4
162.10378	0.8
163.11156	2.3
165.09129	2.0
171.10170	1.4
171.11711	1.3
175.11192	1.4
179.70372	0.7
185.13269	0.9
189.11211	7.6
199.11249	0.8
205.12286	1.0
221.11665	0.8
223.13286	7.3
245.18962	1.8
249.14841	0.8
255.17400	1.2
263.20123	1.1
273.18533	9.5
291.19562	100.0
307.86734	0.7
309.20676	3.4
316.25131	0.8
323.80368	0.7
330.91461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03944	6.3
55.01884	13.0
55.05263	3.8
55.05518	57.8
57.03432	5.5
59.05000	4.3
62.58487	2.7
65.03926	3.8
67.05508	52.1
67.05843	6.0
69.03423	11.7
69.07066	24.9
71.04998	8.9
71.55511	4.4
79.05493	56.8
81.03413	12.6
81.07063	93.9
83.04982	14.8
83.08623	32.7
85.06536	5.2
91.05479	32.3
93.07053	47.6
95.04969	31.6
95.08611	53.5
97.06518	10.6
97.10173	50.2
99.08083	5.6
105.07039	29.4
107.04949	7.7
107.08598	27.0
109.06509	9.2
109.10167	19.2
111.04441	7.2
111.08075	11.6
117.07023	16.1
119.08590	27.9
121.06511	5.4
121.10145	22.7
123.08071	88.8
123.11722	10.1
124.20968	2.9
125.03031	3.2
125.09622	40.7
129.06990	11.8
131.08562	22.3
133.10144	16.2
135.08072	11.9
135.11700	9.4
137.09618	11.9
139.11136	3.4
143.08615	5.5
145.10158	16.6
145.11150	2.7
147.08046	38.5
147.11674	8.4
149.09595	8.0
153.09067	5.1
157.10132	11.7
159.11708	4.7
161.09656	5.9
163.11166	18.2
164.20062	3.2
165.09134	14.3
169.12225	8.5
171.10220	3.9
171.11641	6.8
173.09673	6.7
175.11140	10.0
181.12216	4.7
185.13219	3.4
187.13293	7.8
189.11244	35.7
189.12787	5.6
191.10658	4.8
193.12225	8.2
195.11734	3.3
199.14818	3.7
211.13344	6.1
223.13315	10.4
227.12785	4.7
235.16907	3.6
237.16411	3.9
255.17429	10.2
263.20117	5.0
273.18530	54.5
291.19543	100.0
309.20752	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	309.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
55.01884	13.0
55.05263	3.8
55.05518	57.8
57.03432	5.5
59.05000	4.3
62.58487	2.7
65.03926	3.8
67.05508	52.1
67.05843	6.0
69.03423	11.7
69.07066	24.9
71.04998	8.9
71.55511	4.4
79.05493	56.8
81.03413	12.6
81.07063	93.9
83.04982	14.8
83.08623	32.7
85.06536	5.2
91.05479	32.3
93.07053	47.6
95.04969	31.6
95.08611	53.5
97.06518	10.6
97.10173	50.2
99.08083	5.6
105.07039	29.4
107.04949	7.7
107.08598	27.0
109.06509	9.2
109.10167	19.2
111.04441	7.2
111.08075	11.6
117.07023	16.1
119.08590	27.9
121.06511	5.4
121.10145	22.7
123.08071	88.8
123.11722	10.1
124.20968	2.9
125.03031	3.2
125.09622	40.7
129.06990	11.8
131.08562	22.3
133.10144	16.2
135.08072	11.9
135.11700	9.4
137.09618	11.9
139.11136	3.4
143.08615	5.5
145.10158	16.6
145.11150	2.7
147.08046	38.5
147.11674	8.4
149.09595	8.0
153.09067	5.1
157.10132	11.7
159.11708	4.7
161.09656	5.9
163.11166	18.2
164.20062	3.2
165.09134	14.3
169.12225	8.5
171.10220	3.9
171.11641	6.8
173.09673	6.7
175.11140	10.0
181.12216	4.7
185.13219	3.4
187.13293	7.8
189.11244	35.7
189.12787	5.6
191.10658	4.8
193.12225	8.2
195.11734	3.3
199.14818	3.7
211.13344	6.1
223.13315	10.4
227.12785	4.7
235.16907	3.6
237.16411	3.9
255.17429	10.2
263.20117	5.0
273.18530	54.5
291.19543	100.0
309.20752	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03944	8.6
55.01848	10.3
55.05516	80.7
57.03431	13.8
59.05014	8.0
62.53135	7.1
67.05515	52.6
69.03443	12.9
69.07075	42.9
71.04974	9.0
71.55501	13.8
79.05498	69.9
81.07066	85.1
83.04968	15.5
83.08620	44.1
91.05484	96.5
93.07051	81.5
95.04988	13.7
95.08612	53.1
97.06525	11.9
97.10162	25.9
100.07586	10.2
100.11260	23.5
103.81503	6.2
105.07035	87.8
107.04956	14.1
107.08588	35.4
109.06514	16.4
109.10178	19.8
111.04446	16.1
117.07038	43.7
118.35658	6.0
119.08592	48.0
121.06486	24.2
121.10139	30.0
123.08057	15.2
125.09623	16.4
128.06232	13.1
128.32217	5.9
129.07007	19.0
130.07811	7.3
131.08586	100.0
133.06549	32.3
133.10115	29.7
135.11688	20.3
137.09641	8.0
139.11208	13.4
143.08560	83.3
145.10138	99.1
146.07268	13.0
147.08061	34.0
147.11742	11.7
149.09586	10.0
149.13235	11.7
151.07582	9.3
155.08578	8.3
157.10126	27.7
159.08105	9.0
159.11705	20.3
161.09587	13.3
163.11107	8.6
165.09175	7.4
169.10115	16.9
171.11714	26.7
175.11160	12.4
177.09120	27.0
180.86453	6.9
182.15419	56.1
183.11742	15.7
189.11203	9.1
195.11690	13.9
203.12729	10.3
210.14908	82.4
227.17938	11.0
237.16335	27.8
245.19081	14.6
255.17458	15.9
258.75208	7.2
263.20175	15.1
273.18555	89.1
291.19635	42.0
309.11526	9.1
309.15005	21.6
309.18552	12.8
309.22150	14.1
309.25330	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	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01875	6.0
55.05512	5.6
57.03439	36.3
57.07080	2.1
59.05011	1.0
65.03947	2.1
67.05174	1.7
67.05508	25.5
69.07058	3.0
70.57465	3.0
71.04993	2.7
79.05499	9.4
81.07061	8.5
83.04958	1.7
83.08607	2.1
83.35023	1.1
85.06547	32.9
91.05483	10.2
93.07057	10.1
94.47918	1.0
95.04974	38.5
95.08604	5.6
97.06521	1.9
97.10083	1.1
100.59202	0.9
105.07059	7.1
107.04960	3.2
107.08595	9.0
109.05791	2.3
109.06526	35.2
109.10159	1.5
109.41422	0.9
113.06012	100.0
117.07026	5.8
119.08568	3.7
121.06490	1.5
121.10165	3.5
129.07007	3.0
131.08580	7.3
133.06487	2.0
133.10110	4.0
135.08063	33.9
135.11691	2.8
143.08527	4.2
144.95453	1.1
145.10121	5.1
147.08029	1.6
149.09634	3.1
157.10164	2.8
159.11707	4.0
161.09698	5.4
163.11194	2.4
169.10146	1.2
171.11667	2.8
173.13269	2.7
175.11288	1.8
177.12701	1.0
183.11688	1.2
185.13284	1.7
189.16360	1.4
195.13727	1.2
199.14807	1.9
201.12714	1.2
201.20757	1.0
217.15906	12.2
225.47766	1.0
233.15436	1.1
245.19012	2.4
255.17429	1.5
266.60046	1.0
273.18475	13.9
291.19565	46.6
309.21661	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	13.6
55.05513	26.1
57.03436	20.2
57.07055	5.2
59.04994	6.0
62.80320	4.1
64.93323	3.9
65.03941	8.4
67.05176	4.9
67.05508	65.1
67.56942	4.0
69.03410	7.7
69.07060	15.6
69.43742	33.6
71.04984	7.1
79.05503	56.1
81.03420	8.6
81.07063	61.8
83.04963	11.1
83.08598	7.7
85.04789	3.5
85.06524	12.8
87.04500	4.5
91.05486	45.0
93.07035	35.8
95.04967	100.0
95.08620	31.6
97.06523	9.3
97.10188	9.0
103.09335	3.8
105.07027	28.9
107.04952	18.6
107.08574	30.8
109.06517	68.7
109.10151	14.9
111.04472	10.3
111.08077	10.4
113.06005	29.8
117.07007	19.3
119.08586	19.9
121.06504	11.4
121.10135	17.5
121.71575	3.9
123.08064	6.7
128.06158	5.1
129.07004	10.0
129.23706	3.7
131.08580	26.3
133.06413	7.0
133.10115	16.9
135.08070	53.9
135.11671	13.3
143.08528	16.2
145.06396	4.5
145.10135	22.3
147.08063	8.8
147.11652	8.6
149.09666	6.5
155.08427	4.6
157.10146	9.8
159.11670	8.0
161.09616	11.9
163.11086	8.4
167.77547	4.7
169.10109	9.4
171.11751	5.2
187.11189	4.7
195.11723	5.3
199.14723	5.8
217.15895	11.7
245.18907	6.1
255.17398	6.3
273.18509	36.6
291.19592	64.3
309.12662	6.8
309.22141	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.097
Annotation	Allamandicin
Peak:m/z	Relative Intensity
55.01864	2.3
57.03447	4.0
61.02913	1.9
69.03433	0.9
70.50694	2.9
73.02927	5.1
76.02251	0.8
79.05500	1.4
81.03414	1.5
83.05012	1.1
84.04502	1.3
85.02917	3.8
86.94650	0.8
89.03919	1.4
91.05492	2.1
93.06999	1.5
95.04980	1.8
100.07635	1.2
101.02354	3.1
103.03937	6.3
103.05453	3.2
105.07010	1.3
109.02908	1.2
115.05435	6.2
117.03393	3.5
117.07012	2.0
119.04943	0.9
119.08588	1.3
120.08135	1.0
123.04412	1.3
125.06036	1.4
128.06248	1.4
129.07030	2.3
131.04945	5.4
133.06494	1.4
135.04382	1.0
137.05995	2.7
141.07004	2.4
143.04932	9.2
144.05682	1.1
145.02831	4.1
145.06512	1.8
146.03630	1.9
146.06064	1.6
147.04398	5.2
147.06355	2.1
149.05986	20.4
151.03920	2.0
153.05475	1.2
157.06508	2.9
159.04422	1.9
160.05244	4.2
161.05978	13.6
162.03134	3.3
163.03906	1.1
163.07582	2.5
169.06442	2.0
171.04419	5.3
171.08069	0.8
173.05919	1.0
175.03928	11.5
175.07549	19.6
176.04689	2.9
177.05481	100.0
179.06964	1.0
183.04312	1.1
184.05211	0.8
185.06015	2.7
187.04129	0.9
187.07616	3.8
188.04683	2.2
189.05432	5.1
189.09119	1.5
190.06241	1.6
191.07040	13.0
192.04245	1.2
193.04918	4.9
195.04378	1.1
199.03941	1.6
199.07536	1.0
201.05400	4.9
201.09183	1.2
203.07040	20.2
205.05025	3.7
205.08594	2.1
207.06537	52.6
213.05504	2.8
214.06311	1.1
215.07117	2.4
217.04860	1.3
217.06767	1.8
217.08630	2.7
219.06566	7.8
221.08043	4.3
227.07056	6.5
229.05025	1.0
229.08626	4.2
231.06514	14.1
231.08585	1.3
231.26611	0.8
233.08006	0.9
234.85965	0.9
235.13202	1.3
243.06401	1.4
245.08134	11.5
247.06049	2.9
249.07564	9.8
255.06517	1.4
256.37247	0.9
261.07684	2.8
263.09369	4.6
273.07605	11.4
291.08679	7.3
291.11945	0.8
291.13354	1.1
309.09741	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	308.1858
Annotation	CHEMBL482708
Peak:m/z	Relative Intensity
53.03957	1.0
55.05513	3.9
56.05025	0.8
56.96560	1.5
57.03446	5.7
65.03958	0.6
67.05509	2.6
68.05025	3.8
69.03441	0.8
69.07072	2.2
70.06603	6.8
71.05013	1.3
71.55180	1.3
79.05492	7.5
80.05019	7.3
81.03422	1.2
81.07065	4.2
82.06590	2.4
82.07391	0.7
84.04510	8.3
84.08105	1.0
85.02911	42.8
91.04580	0.6
91.05488	8.2
91.46370	0.6
93.05794	2.7
93.07051	12.4
94.06567	1.5
95.04985	1.4
95.08601	2.3
96.04481	0.7
97.02885	0.8
97.06529	0.8
98.06035	0.6
98.97590	1.9
99.04459	0.7
100.07643	0.8
102.05575	1.2
103.03941	2.1
104.04297	0.7
105.07040	5.3
106.07379	0.6
107.08601	7.3
108.08125	100.0
109.02887	1.0
109.08913	6.1
110.09705	3.2
110.10376	0.8
111.08054	0.7
113.02371	1.1
114.05538	10.0
116.07104	7.9
116.10761	2.1
117.07037	1.8
119.08589	39.3
120.08115	2.3
121.08922	1.4
121.10147	1.5
122.06097	0.8
122.09631	1.1
124.07615	1.0
127.03906	0.9
130.05019	1.3
131.03395	5.4
131.08672	1.3
133.10144	2.3
134.09660	2.4
135.10747	0.9
135.11665	4.8
136.07584	0.7
137.06001	2.0
137.09694	1.1
138.09158	1.5
146.09630	0.7
147.11711	2.1
148.11209	3.5
150.12801	11.8
152.07123	1.2
154.08583	1.1
158.15813	0.8
160.06084	1.6
161.13278	3.9
162.12766	1.6
175.11227	3.7
176.14340	2.6
177.15193	1.7
178.08527	0.8
178.15968	1.3
178.68201	0.6
180.10175	4.0
193.12213	3.7
194.11781	3.5
195.12550	11.9
196.13338	12.9
210.07614	6.7
219.01709	0.8
220.09775	0.7
238.10751	80.4
239.11508	3.2
240.12325	26.1
262.18088	1.0
263.05679	0.7
278.06180	2.0
290.17542	0.8
293.07620	1.7
308.10214	2.3
308.18570	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	308.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93140	0.5
54.73724	0.5
55.05520	0.9
56.96567	1.5
57.03434	1.5
61.02930	3.2
67.04247	2.3
69.03438	3.7
70.06602	0.5
71.04995	0.8
71.53507	0.6
71.53889	0.6
73.02928	1.1
73.18742	0.4
76.02238	0.7
80.05024	0.7
81.03436	1.3
81.75879	0.4
82.06586	85.5
84.04520	2.8
84.08150	1.3
85.02915	7.9
86.03308	0.5
87.04454	0.5
88.04002	0.6
91.03933	0.6
92.13938	0.5
93.34943	0.4
96.41914	0.4
97.02902	2.6
98.97597	2.5
99.04493	1.1
100.07629	24.4
101.00928	0.9
102.01019	1.5
105.03451	0.7
109.02894	1.2
113.02399	0.7
116.98610	0.8
118.87276	0.5
119.01907	2.3
120.02059	1.6
127.03945	2.4
128.07086	8.3
130.04179	0.5
130.05028	2.0
131.01924	0.6
131.05347	0.7
133.02824	1.1
134.03531	0.5
143.01901	1.0
144.02051	0.5
145.05011	1.4
146.08136	39.3
155.01903	1.1
160.02939	0.6
162.03273	0.5
169.03404	0.5
174.03110	1.0
175.03589	0.5
177.00597	0.7
178.04999	1.1
185.02954	0.8
188.01025	0.7
205.04478	0.9
216.00656	1.5
216.06578	7.8
218.08563	1.1
227.04193	0.6
230.02135	1.2
238.74570	0.5
244.06024	1.1
248.03113	2.5
262.07230	1.7
262.12897	5.4
266.04282	0.5
290.06549	1.9
308.08200	9.8
308.13406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01855	2.0
55.05510	3.6
56.05031	1.8
56.96564	7.2
57.03448	4.8
58.99598	0.7
61.01135	1.2
61.02932	7.4
61.69188	0.6
62.03256	0.8
65.03952	0.9
67.04243	2.2
69.03080	1.2
69.03432	16.3
69.07088	0.8
70.03764	1.5
70.06585	2.7
70.29677	2.4
71.01349	0.7
71.04991	2.0
72.08139	2.9
73.02921	5.1
73.06557	0.9
74.06093	1.2
74.90174	0.6
76.02219	3.1
81.03434	6.1
82.06586	86.4
83.04961	0.9
84.04508	9.8
84.08150	3.7
84.96059	1.2
85.02912	44.1
85.04848	2.9
86.03228	2.8
86.06083	1.0
86.09692	1.5
87.04490	3.6
87.20769	0.6
88.03974	3.4
89.03878	1.0
91.03983	3.3
93.37915	0.7
95.04964	1.7
97.02902	16.1
97.06499	1.5
97.96829	0.6
98.03203	1.4
98.06021	0.8
98.97592	24.2
99.04449	4.8
99.97902	0.9
100.06978	1.2
100.07626	25.2
101.00890	1.6
101.02366	0.9
102.05551	1.1
102.96866	1.0
103.03939	0.7
104.05312	1.4
105.03397	1.7
108.68326	0.8
109.02872	4.9
110.03165	0.7
110.06007	0.9
110.97562	3.7
111.04471	4.9
112.07604	0.6
112.11253	0.8
112.99115	1.1
115.03937	0.9
116.01673	1.3
116.98646	6.2
117.03358	0.7
119.01862	2.3
120.02036	0.7
123.04464	0.7
124.99125	1.6
127.03925	11.9
128.04276	1.4
128.07092	8.2
128.98613	2.7
129.05493	0.8
130.04997	5.8
131.00198	1.0
131.01912	1.6
131.05380	3.2
133.02869	2.4
134.99615	1.0
135.04433	1.7
139.03899	0.7
140.98619	0.7
143.00183	2.7
143.01906	3.0
144.02058	0.8
145.01703	1.2
145.03818	1.0
145.04970	7.9
146.04240	0.8
146.05006	1.1
146.06079	18.1
146.08128	39.5
146.99666	1.1
147.01158	0.7
147.03218	0.7
155.01884	1.2
155.04645	6.4
155.54773	3.3
158.99669	9.3
159.05014	0.8
159.07700	1.5
160.00060	0.6
160.05153	1.1
161.01193	1.3
161.02914	3.1
163.03934	5.7
164.05365	0.8
169.03435	0.9
170.03600	2.7
170.05994	1.0
170.99666	1.8
171.05016	1.2
173.03049	1.2
174.04491	0.9
175.04488	0.6
177.00766	5.4
178.04999	2.0
179.04910	1.4
181.04514	1.0
182.99525	0.8
183.04999	1.3
184.04959	1.4
185.01337	1.1
185.02917	1.4
186.00716	0.7
186.06805	1.0
187.02910	1.5
187.04543	2.0
187.06146	1.3
188.04710	7.2
189.00644	1.4
189.04460	1.3
190.04907	1.3
191.03920	0.9
195.05074	0.8
196.06822	3.0
200.04529	1.2
201.00754	1.7
201.05954	0.9
203.02312	1.5
203.04057	1.5
206.05765	2.2
213.06062	1.0
216.06566	12.3
217.08098	1.6
218.06171	4.3
218.08583	2.4
219.01753	6.1
220.02065	0.8
221.05095	2.4
222.03043	0.7
222.05125	1.1
226.58051	1.8
227.06723	2.1
227.56839	1.4
230.05865	2.7
231.05377	0.9
237.02802	6.9
244.06038	1.5
245.05148	2.2
248.07047	0.7
253.05721	0.9
262.07001	3.1
262.12863	5.1
267.00290	3.7
273.08304	3.3
285.01379	0.9
290.06540	3.2
290.11765	1.2
291.09714	0.8
307.60635	6.6
308.08136	11.3
308.13428	100.0
309.05304	1.1
309.08432	5.0
310.08929	2.3
331.07004	0.9
333.10135	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23535	0.4
53.03940	0.5
54.61068	0.4
55.05506	2.5
56.96561	1.8
57.03433	1.6
58.99602	0.5
61.02929	1.9
67.04257	2.1
69.03427	5.1
70.06588	0.5
71.05017	0.7
73.02919	1.7
76.02231	3.0
80.05023	1.0
81.03426	1.3
82.06583	82.6
84.04506	1.1
84.08160	1.5
85.02908	11.7
87.04465	1.2
91.03945	0.9
97.02885	3.7
98.97604	4.5
99.04472	1.3
100.07619	26.7
100.83842	0.4
101.00899	0.9
102.00975	0.5
109.02905	1.0
110.97588	1.1
116.01675	0.9
116.98604	0.9
119.01893	1.2
120.02048	1.2
121.01714	0.4
127.03909	3.3
128.04289	0.5
128.07088	7.9
128.07967	0.7
128.98653	0.8
130.04970	0.6
130.08682	0.5
131.01883	0.7
143.01910	1.2
144.02032	0.7
145.03760	0.5
145.04956	1.5
146.06046	2.7
146.08125	41.9
155.01874	0.6
155.04672	2.0
156.02113	0.8
157.03520	0.7
158.99710	1.6
161.03012	0.8
162.02043	0.6
162.07658	0.6
164.72818	0.4
168.13802	0.4
170.03694	0.4
174.03149	0.5
177.00677	0.9
178.05023	0.5
179.04877	1.9
187.04636	0.4
187.06233	0.7
188.04720	2.6
189.00722	0.7
196.04929	0.7
196.06703	3.7
206.05753	1.6
209.05754	0.9
216.06645	2.2
218.04214	0.6
218.06198	6.1
219.01784	1.0
222.05254	0.8
237.02876	0.8
248.03325	0.6
258.40097	0.4
262.07248	0.7
262.12866	5.0
290.06720	0.5
308.08319	7.1
308.13391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	11, 14, 17-icosatrienoic acid
Peak:m/z	Relative Intensity
53.03942	2.5
55.01865	1.3
55.05511	11.2
57.07085	8.4
61.39614	1.1
64.39458	1.1
67.05177	1.4
67.05510	20.8
67.35902	1.1
67.69360	0.9
69.03427	3.3
69.07076	29.1
69.98649	4.0
70.06596	6.5
71.04974	3.9
71.06924	2.0
71.08634	2.3
72.08964	1.1
79.05492	12.7
81.03429	5.8
81.07063	63.9
83.04973	4.8
83.08627	10.2
85.02917	3.4
85.06525	1.2
86.44784	1.1
88.07631	2.6
91.05476	8.9
93.07048	20.1
95.04975	14.6
95.08613	54.8
97.06518	4.1
97.10191	7.3
99.04440	2.0
102.09191	2.0
103.03957	2.1
105.07036	14.6
107.08598	20.9
109.02888	2.3
109.06508	3.7
109.10167	30.6
109.10915	2.0
111.08086	3.2
111.11768	5.3
113.05975	1.8
117.07051	1.2
119.06108	1.3
119.08588	8.8
121.06471	1.2
121.10139	14.2
123.08122	1.4
123.11706	15.2
125.09606	2.3
127.03898	4.2
127.07549	1.7
131.08549	1.6
132.10205	2.6
132.73636	1.0
133.10129	6.0
135.11716	11.2
137.09619	1.7
137.13284	7.1
139.11206	2.8
145.05005	1.6
145.10129	3.4
146.11716	2.3
147.11684	7.3
149.13263	8.8
151.11198	1.9
151.14844	1.5
153.12793	1.4
155.10614	1.2
157.10182	1.0
159.11661	3.8
161.13272	5.6
163.11205	1.1
163.14839	4.9
165.16328	1.5
175.14876	2.3
177.16399	3.2
179.14377	2.0
187.14943	1.5
189.16415	2.3
191.17987	2.6
193.16005	1.2
200.20280	1.6
201.16429	2.6
201.20410	5.4
215.17918	2.6
217.56052	1.2
244.22667	2.1
245.23016	15.2
247.15126	1.4
271.24182	4.5
277.25140	1.8
288.97873	1.3
289.14569	1.2
289.18069	1.6
289.22021	1.9
289.25250	11.1
292.07349	2.3
307.09766	2.6
307.26505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	Decaryiol
Peak:m/z	Relative Intensity
55.05511	12.3
57.07067	4.4
67.05510	13.4
69.07075	30.2
70.71767	2.4
71.04997	1.3
71.08623	1.8
73.47310	0.9
79.05492	6.3
81.03415	3.5
81.06587	1.8
81.07064	35.2
83.05001	5.3
83.08620	11.0
91.05495	4.7
93.07051	12.2
95.04972	20.1
95.08610	36.9
97.06527	2.7
97.10156	7.3
99.04449	1.1
105.07040	7.8
107.08587	10.0
109.06532	4.9
109.10159	21.3
111.08092	1.9
111.11749	6.4
113.05974	2.4
117.07011	1.2
119.08601	6.5
121.10140	6.4
123.08052	1.1
123.11707	12.9
125.13245	2.8
127.07571	2.9
132.58730	1.2
133.10161	6.1
135.08037	1.4
135.11729	5.2
137.09634	1.5
137.13274	8.1
145.10149	2.0
147.11670	4.6
149.13290	5.1
149.34102	0.9
151.11201	1.8
151.14825	1.8
159.11777	1.0
161.13287	3.4
163.14862	1.7
165.12758	1.6
175.14848	1.7
177.16374	2.3
183.64111	1.0
189.16350	2.5
207.17262	1.4
271.24176	3.2
289.25284	17.6
307.26337	100.0
314.15524	1.1
327.91119	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.05514	1.2
57.03452	0.5
57.07059	0.3
67.05509	1.0
69.03432	1.3
69.07073	1.0
70.06584	0.4
71.56221	0.5
79.05498	1.2
81.03436	2.0
81.07061	2.4
83.04973	0.5
83.08642	0.5
85.02925	2.1
85.06564	0.8
91.05479	1.6
93.07058	2.4
94.06591	0.6
95.04983	0.8
95.07297	0.4
95.08616	1.4
96.08140	1.0
97.02901	0.7
97.06519	0.4
99.04478	1.0
103.03951	1.9
105.07053	0.7
107.08590	1.2
108.08100	0.7
109.02878	3.2
109.06509	0.7
109.10162	0.9
110.28279	0.3
117.07047	0.4
119.08599	1.2
120.08101	0.5
121.06503	0.4
121.10134	0.7
122.06026	2.1
123.06830	1.0
124.07607	7.7
126.09158	4.4
127.03932	2.6
133.10130	0.5
135.08028	0.4
135.11664	0.6
136.07582	54.8
138.09142	51.8
139.97922	0.3
140.07066	1.2
145.04971	0.7
147.11685	0.6
149.13293	0.6
150.05527	0.3
152.07071	16.6
159.11714	0.4
164.07072	100.0
165.07512	0.4
166.08615	0.6
170.08134	5.0
182.08133	24.5
196.13382	0.5
249.05446	0.5
289.15387	6.2
289.18057	0.4
289.24820	0.4
292.07260	0.8
307.09592	1.1
307.12875	0.7
307.16400	3.4
307.19333	0.5
307.22638	0.4
307.26373	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26172	1.1
53.03935	4.3
55.01881	1.3
55.05273	1.3
55.05516	22.9
56.05049	2.3
57.03425	4.0
58.06600	1.3
61.02919	2.6
67.25558	1.3
69.03084	1.7
69.03433	27.0
69.07059	1.4
71.04990	3.8
71.07369	1.1
71.08649	1.7
71.32443	1.7
73.02918	3.2
79.05485	2.2
81.03435	12.5
81.07060	22.9
83.03824	1.2
83.08624	22.6
84.04508	16.7
84.08149	49.4
85.02912	44.0
86.06055	4.4
86.09695	2.6
88.03994	2.8
97.02897	17.3
97.06528	1.4
98.97552	2.0
99.04464	18.7
99.08099	36.3
103.03955	39.0
109.02876	9.6
109.06514	3.9
120.06615	1.3
127.03930	49.0
127.07563	100.0
130.05003	4.2
139.03914	4.7
141.13876	2.8
145.04962	17.0
145.08606	33.8
146.06053	3.0
147.04387	1.5
155.01051	1.5
163.06033	2.5
169.13345	4.3
184.15930	1.3
187.06056	6.8
205.07088	3.8
215.13922	16.6
216.06551	1.7
217.08327	1.8
220.93369	1.2
222.82840	1.3
243.17091	32.2
262.11118	2.1
288.64035	1.3
289.11896	2.9
290.06561	1.3
301.96640	1.2
307.12851	4.8
307.16830	12.4
308.07303	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1288
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01870	1.1
55.67747	0.3
62.30797	0.3
64.98518	0.3
69.03404	0.5
70.10239	0.8
70.10637	0.7
70.29366	0.3
79.05491	0.4
81.03419	0.4
85.02895	1.3
94.06565	0.4
96.04501	0.3
97.02874	0.5
98.06065	0.7
99.04437	0.5
103.03925	1.2
107.08585	0.5
108.04486	0.9
120.04503	0.6
122.06042	1.8
124.07552	0.6
127.03898	1.4
135.08015	1.4
136.07561	1.1
138.05521	0.4
140.07047	1.8
145.04933	0.5
155.08269	0.3
156.08057	0.5
157.90208	0.3
158.57245	0.3
159.09222	0.4
160.07552	1.3
163.08646	0.6
164.07053	0.3
168.06625	1.7
170.06036	0.6
173.07126	0.5
174.09137	2.0
177.10239	0.9
178.08638	11.8
182.08211	0.5
184.07599	1.4
187.08788	1.5
188.07065	3.3
191.08145	0.5
196.09671	0.5
197.06342	0.4
198.09163	1.5
201.06606	0.7
201.10312	2.4
202.08614	4.2
203.11742	0.5
204.10298	0.5
205.09721	2.9
206.08102	2.8
212.07066	0.8
215.08232	0.4
215.11769	0.4
216.10339	1.6
217.09593	0.4
219.07715	0.6
219.11267	4.7
220.09720	1.8
225.10284	0.4
226.08577	1.8
229.09717	3.9
230.08122	3.1
243.11287	1.2
244.09703	3.7
247.10786	8.8
248.09238	1.2
253.09746	0.3
254.08182	0.5
261.12393	1.2
262.10760	1.4
265.11853	10.9
271.10785	1.7
272.09232	1.7
289.11816	14.8
290.10156	0.9
307.12885	100.0
308.13159	0.4
309.06805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95410	0.3
55.01870	1.2
69.03427	0.6
70.70656	0.7
70.70973	0.3
79.05495	0.5
85.02913	1.7
91.05494	0.3
91.16003	0.3
94.06552	0.3
94.36886	0.3
97.02882	0.4
97.06526	0.3
98.06055	1.0
99.04443	0.7
103.03963	1.5
105.06992	0.4
106.06544	0.6
107.08579	0.6
108.04482	1.0
109.02876	0.6
110.06062	0.4
115.45786	0.3
117.07056	0.3
122.06033	1.7
123.04462	0.3
124.07607	0.3
127.03915	1.8
135.08057	1.3
136.07559	0.8
138.05516	0.6
140.07053	1.4
141.81891	0.3
145.04858	0.8
146.05952	0.7
147.06740	0.4
148.03995	0.3
148.07587	0.6
149.07130	0.3
150.05476	0.3
150.09196	0.3
156.08092	0.4
159.09222	0.4
160.07635	1.4
162.09161	0.4
163.08665	1.0
168.06563	1.7
168.07838	0.3
170.09741	0.4
173.07172	0.6
174.09192	2.2
175.08698	0.4
177.10262	0.9
178.08644	11.9
182.08144	0.7
184.06108	0.4
184.07581	1.4
186.09160	0.6
187.08702	1.1
188.07121	2.5
188.10780	0.5
189.10359	0.4
191.08115	0.5
196.09784	0.5
198.09111	1.3
199.08687	0.4
201.06567	0.7
201.10318	2.6
202.08655	4.6
204.10278	0.7
205.09734	4.2
206.08066	2.1
212.07050	0.4
215.08316	0.4
215.11833	0.4
216.10277	2.7
219.07729	0.7
219.11275	4.7
220.09679	1.9
226.08615	2.1
229.09732	3.9
230.08173	3.0
235.10771	0.5
243.11391	1.4
244.09734	3.3
247.08307	0.4
247.10806	10.9
248.09134	0.9
254.08092	1.1
261.12363	1.2
262.10806	1.3
265.11838	12.3
271.10770	1.3
272.09189	1.5
289.11856	14.8
290.10205	0.8
307.12891	100.0
308.13260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
53.21423	0.9
55.01878	1.7
55.05477	0.9
56.61676	0.8
57.03428	3.8
61.02914	3.1
69.03428	26.0
69.57291	4.1
71.05001	5.1
73.02900	4.0
74.03449	0.9
81.02984	1.7
81.03423	22.8
83.01328	1.1
83.04982	1.1
85.02907	77.5
87.04465	1.3
97.02895	20.8
99.04455	40.2
101.02357	1.2
103.03944	81.3
108.48078	1.0
109.02888	20.2
115.03896	1.2
127.03916	100.0
139.03827	1.6
145.04962	30.3
159.22751	1.0
163.06024	5.1
187.06049	13.8
205.07060	8.3
250.70937	1.1
271.08099	2.8
307.12958	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	4.4
55.01869	1.8
55.05497	1.6
57.03441	5.0
61.02932	4.3
62.56235	0.7
67.05499	2.4
69.03435	25.6
69.07076	1.1
69.42443	5.8
71.04994	5.6
73.02934	3.9
79.05499	2.7
79.09991	0.8
81.03422	23.6
81.07059	5.8
83.04957	1.0
85.02910	79.7
85.06542	1.3
86.52215	0.9
87.04462	1.2
91.03979	0.8
91.05481	1.9
93.07053	2.0
95.04952	1.1
95.08607	2.2
97.02897	23.8
97.06536	1.3
97.10162	0.9
98.98492	0.9
99.04461	44.8
100.07628	3.5
103.03947	86.9
105.07037	2.1
107.08605	2.4
109.02889	19.4
109.06547	1.1
109.10162	1.7
109.75903	0.8
117.59460	0.8
119.08592	1.2
121.10149	1.9
123.08072	1.4
127.03923	100.0
131.08592	1.5
133.10130	1.4
135.11691	1.6
139.03928	1.8
145.04970	36.8
145.10136	1.1
147.11653	1.0
163.06075	7.2
163.07321	1.4
187.06020	13.1
205.07126	7.0
211.62515	0.8
216.10330	0.8
248.22827	1.1
271.08130	2.2
289.11810	2.6
294.37589	0.8
303.89212	0.8
307.06046	1.8
307.12885	3.4
307.16220	1.8
307.19577	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.6
55.01854	2.2
56.05657	0.7
57.03447	4.2
58.49501	0.9
61.02920	2.3
69.03432	28.1
70.07670	3.7
70.08042	1.7
71.00658	0.8
71.01340	1.2
71.05000	4.2
73.02911	3.1
81.03422	23.9
81.07027	1.2
85.02907	79.6
91.03960	1.2
95.08595	1.2
97.02291	1.4
97.02895	21.4
98.21450	0.9
99.04457	41.1
99.05108	2.1
100.07586	0.9
103.03946	80.0
109.02882	19.4
113.54048	0.8
115.03948	1.0
115.92449	0.9
127.03922	100.0
145.04974	28.7
149.11531	0.9
163.06010	6.9
187.06023	15.5
205.07080	7.5
271.08139	3.1
307.12949	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.9
55.01875	2.3
57.03427	3.3
61.02920	4.0
63.48573	1.1
69.03428	28.0
70.32665	3.0
71.04990	6.3
73.02909	3.1
78.30134	0.9
79.17992	1.0
81.03416	20.9
83.56387	1.0
85.02907	86.8
86.93015	1.2
87.04439	0.8
92.88329	0.9
97.02888	27.3
97.44808	1.1
99.04452	45.3
101.02385	1.5
103.03236	1.1
103.03944	81.3
109.02879	21.1
127.03918	100.0
130.06563	1.5
145.04968	37.2
147.04440	1.2
157.07579	1.5
158.06041	1.7
163.05995	7.7
170.90073	1.0
174.13664	1.0
175.08607	1.7
179.35712	0.9
184.74165	0.9
187.06017	11.2
205.07076	8.0
233.25943	1.0
261.08737	1.3
271.08072	3.8
291.81094	0.9
307.12894	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17617	0.9
53.03955	5.0
57.03441	4.7
61.00782	0.9
61.02924	3.0
69.03432	27.5
70.85722	2.8
71.05003	5.5
72.56073	0.9
73.02914	4.9
81.03421	24.5
85.02910	78.0
87.04438	1.2
97.02895	22.1
99.03841	2.0
99.04462	40.4
103.03946	79.4
108.47659	0.9
109.02885	18.8
118.56812	1.0
127.03923	100.0
145.04970	28.9
163.06013	6.1
187.06052	15.4
205.07121	7.6
271.08197	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	307.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65154	2.3
64.45547	2.3
70.06116	11.3
89.95247	2.3
120.28094	2.2
133.65628	2.4
178.47346	2.6
233.69684	2.4
246.75075	2.3
272.40201	2.5
307.07935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45298	2.2
56.96570	31.6
59.39838	2.4
59.72084	2.3
69.03414	7.5
70.01402	11.6
70.98109	3.5
84.04498	10.6
84.96037	10.3
85.02893	10.4
85.75475	3.3
88.03997	5.0
97.02898	10.9
98.06036	2.7
98.97592	93.1
100.99142	4.8
101.00881	6.2
110.97581	29.2
112.99152	5.8
116.07117	4.9
116.98630	17.4
119.01927	5.5
124.99128	7.1
128.98575	17.3
130.05061	13.3
131.00195	4.2
131.01785	2.5
134.99597	3.2
140.98613	4.6
143.00175	8.1
143.01921	6.2
143.74757	2.8
145.01749	6.3
146.99623	4.0
149.02960	3.3
152.98622	7.1
157.01663	2.9
158.99622	14.3
160.07146	2.6
161.02907	7.4
163.02808	9.4
168.03690	3.2
170.99672	9.4
173.01303	3.2
173.02907	3.1
177.00748	5.8
177.04071	3.5
177.54195	2.9
181.03781	3.6
187.00995	4.0
187.02861	3.7
187.04491	3.6
189.00754	4.5
201.00702	8.0
205.03845	4.4
206.18909	2.5
217.08206	7.6
219.01741	31.1
220.99545	3.3
226.06047	3.4
237.02841	23.5
244.99785	3.4
247.02879	3.4
247.05011	7.9
249.06366	2.5
265.05954	60.8
270.86426	2.7
283.06989	6.5
290.99899	2.7
298.08109	3.1
307.07428	100.0
325.07999	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62621	0.2
60.15114	0.2
66.66887	0.2
70.35972	0.2
71.35279	0.5
72.44357	0.2
84.06229	0.2
98.97559	0.5
101.00884	3.0
118.23090	0.2
118.99290	0.2
119.01939	3.6
137.02940	0.3
140.98814	0.6
151.85336	0.3
158.99918	1.9
177.00966	8.0
182.99864	1.0
199.02975	0.3
201.00957	2.7
217.04121	2.1
219.02011	14.4
220.02345	0.3
224.32072	0.3
225.00854	2.6
243.02005	13.0
261.03073	100.0
262.03140	1.4
263.03586	0.6
266.03574	0.6
284.04694	4.2
299.20145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	5.0
61.02923	2.0
63.56569	0.7
64.65215	0.7
67.53695	0.9
69.03423	2.7
69.72656	4.0
70.06594	1.3
72.08164	1.3
73.02898	0.9
81.03404	1.0
82.06566	1.2
82.99861	3.0
84.03450	0.7
84.04515	4.4
84.08138	1.7
85.02922	5.0
87.04464	0.8
95.08628	0.8
97.01408	2.4
97.02880	3.0
98.97601	6.3
100.99156	1.8
101.00893	25.0
103.02428	0.9
110.97574	2.8
113.00880	5.8
115.02451	7.4
116.07070	1.4
116.98627	1.2
119.01929	37.5
121.01659	1.2
126.97126	0.9
126.98771	1.0
127.03917	2.4
128.98575	1.7
129.03976	3.3
130.05028	2.1
131.01910	9.7
133.03519	8.1
133.04433	1.4
135.04996	1.0
137.02979	3.6
143.00165	0.8
143.01918	9.7
144.99780	1.4
145.01704	1.8
145.03473	7.3
145.04993	1.2
147.01408	1.1
147.03065	0.8
147.05019	2.3
149.02895	1.0
151.04509	1.6
155.01872	8.4
157.01614	1.0
157.03470	7.0
158.99713	1.3
159.01408	2.1
159.05042	2.3
161.02956	12.7
162.14816	0.7
163.02768	3.2
163.04576	1.5
168.99843	6.5
169.03491	1.4
171.01392	1.1
171.05023	1.6
173.02968	10.3
175.02777	0.9
175.04501	3.4
177.02519	5.5
177.03891	1.1
185.02950	4.1
185.88226	0.8
187.00903	15.2
187.02658	1.5
187.04474	5.9
187.06090	1.1
189.02394	1.5
189.06143	1.0
190.98598	1.2
191.04018	1.9
196.99303	3.5
199.00975	1.2
199.02843	0.8
199.04527	1.8
201.00757	0.7
201.02516	1.4
203.04030	4.3
205.02036	4.8
205.03769	1.8
205.05583	3.0
215.00389	16.0
215.03787	0.8
217.01947	1.2
217.05588	2.0
217.08061	1.6
219.01724	2.6
219.03539	5.2
221.05099	4.3
229.01947	10.7
229.05548	1.7
233.01468	1.8
237.02808	4.2
239.06212	1.4
245.05110	1.5
247.03012	32.4
247.06836	3.8
265.03958	4.8
265.07736	7.2
277.07675	1.9
289.04050	6.0
289.07230	1.0
307.07947	100.0
325.07999	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02952	0.3
61.08281	0.3
65.02852	0.3
69.07056	0.9
71.63907	0.3
79.05520	0.7
81.07057	0.5
91.05477	0.4
93.07036	0.4
94.04179	1.3
96.18081	0.3
97.06509	0.5
107.08577	0.7
109.10106	0.7
109.77617	0.3
114.09171	0.4
122.03649	5.2
133.10138	1.1
135.11708	1.1
137.05980	100.0
141.60623	0.3
151.11201	0.4
153.12755	1.1
170.15430	2.4
177.86717	0.3
182.15410	2.9
280.73053	0.3
306.20505	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1699
Annotation	Convolamine
Peak:m/z	Relative Intensity
57.03439	2.3
64.34631	0.2
65.35779	0.2
69.07055	0.2
69.65206	1.4
71.01362	1.1
81.07058	0.3
85.02906	37.0
91.05441	0.2
93.07021	0.3
95.01338	0.6
95.08603	0.3
103.03944	0.8
105.07008	0.3
109.02882	0.3
113.02358	1.7
117.07010	0.2
118.06546	12.9
118.66608	0.2
119.07344	0.4
127.03961	0.3
131.03404	1.6
132.08081	4.9
133.08867	2.4
134.09673	1.3
146.09637	4.2
147.10422	0.6
160.11227	0.3
176.14348	82.0
177.14633	0.4
202.15871	1.4
216.13873	0.5
227.58615	0.2
246.14899	0.6
247.29269	0.2
248.09122	0.3
262.10684	0.3
288.15891	1.0
306.16995	100.0
307.17236	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2476
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
52.15842	1.1
53.03935	3.6
55.01864	2.3
55.05265	1.2
55.05513	16.7
57.03428	2.5
57.07061	3.1
64.13972	0.9
65.03934	3.3
67.05508	31.8
69.03432	2.6
69.07068	23.6
70.06570	0.9
70.79802	3.0
71.04993	5.1
79.05499	21.4
81.03428	7.4
81.07059	98.4
83.04984	6.3
83.08624	7.6
84.01093	1.0
84.03372	1.0
85.02884	2.4
85.06532	4.1
91.05482	15.7
93.06478	2.2
93.07045	37.1
95.04971	100.0
95.08607	61.1
97.06534	11.2
97.10164	10.8
99.04462	2.5
99.08103	1.6
101.05993	1.9
105.07027	20.3
107.04963	1.5
107.08599	35.6
109.02818	1.6
109.06517	11.6
109.10160	40.3
111.04441	2.3
111.08080	4.2
111.11712	4.0
115.07582	1.2
117.06988	4.9
117.89009	1.0
119.08587	19.5
121.06463	3.9
121.10149	27.0
123.08066	4.5
123.11714	15.6
125.05930	2.2
125.09647	5.3
127.07548	2.8
129.07005	1.2
131.08569	9.5
133.10132	11.6
135.08067	8.3
135.11694	17.3
136.07616	6.7
137.05901	1.2
137.09602	4.4
137.13239	3.4
139.11230	1.5
145.10147	11.1
147.11682	14.9
149.09610	3.4
149.13251	11.6
151.11174	2.5
151.14812	1.0
157.10094	2.5
159.11699	9.3
161.13266	10.7
163.11168	3.8
163.14812	5.2
164.07069	4.1
165.12743	2.0
167.10652	1.3
167.17628	1.0
171.11717	1.5
173.13235	7.9
175.14851	5.2
176.14397	1.7
177.12727	4.4
177.16354	3.2
181.12276	1.1
185.13118	1.3
187.14816	5.0
189.16356	5.0
191.14317	3.0
199.14890	2.3
201.16418	2.5
203.17986	2.0
213.16370	4.1
215.17944	2.5
217.19533	3.6
223.16899	1.5
227.17831	1.8
237.18466	1.2
241.19539	1.3
243.21057	3.0
245.22610	1.8
257.50861	1.2
262.06161	1.5
269.22687	7.1
287.10455	1.5
287.23672	19.2
305.05460	8.9
305.08267	2.8
305.13947	3.7
305.17618	2.0
305.24741	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	305.2476
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03934	3.1
54.40413	1.0
55.01867	1.6
55.05272	0.9
55.05516	16.1
57.03429	1.6
57.07073	2.2
65.03932	3.2
66.44002	0.9
67.05183	1.5
67.05508	26.1
69.03416	3.4
69.07072	20.6
69.76233	4.4
71.04996	5.5
78.82688	1.0
79.05502	19.6
81.03431	8.7
81.07059	96.5
83.04998	7.5
83.08639	6.2
85.02904	2.1
85.06532	4.1
91.05482	14.9
93.06475	2.1
93.07052	33.8
95.04973	100.0
95.08609	60.0
97.02895	1.3
97.06536	14.4
97.10175	7.1
99.04461	2.0
99.08073	1.3
99.24118	1.0
105.04545	1.5
105.07028	23.3
107.04976	1.4
107.08599	32.6
109.02899	1.5
109.06518	12.1
109.10161	38.0
111.04495	2.1
111.08087	3.8
111.11723	5.1
113.06042	1.7
113.09614	1.2
115.05506	1.0
117.07005	2.5
119.08574	22.1
121.06499	3.6
121.10143	24.9
123.08097	3.0
123.11718	15.4
125.06016	1.9
125.09644	5.3
127.07542	3.3
127.11150	1.4
129.07039	2.3
131.08563	7.8
133.10124	16.4
135.08060	6.1
135.11697	18.5
136.07579	7.8
137.09573	3.5
137.13272	4.5
139.11119	1.4
143.07109	1.4
143.08565	3.1
143.10663	1.2
145.10143	11.0
147.11711	13.3
149.09676	3.7
149.13252	11.6
151.11159	2.8
152.07051	1.2
157.10138	3.0
159.11693	11.8
161.13268	10.0
163.11188	3.6
163.14787	5.2
164.07080	7.2
165.12817	2.0
167.10635	1.7
171.11725	1.5
173.13290	6.8
175.14807	5.0
176.14355	2.0
176.21236	1.0
177.12820	5.3
177.16408	3.4
181.12270	1.3
182.08147	1.0
185.13249	1.6
187.14848	2.5
189.16405	6.1
191.14285	1.7
191.17836	1.0
199.14824	3.0
201.16415	2.6
203.17847	1.1
205.16003	1.0
213.16357	5.0
215.17975	2.3
217.19548	3.4
223.16911	2.7
227.17847	1.3
229.19437	1.4
234.07013	1.3
243.21100	2.0
269.22690	8.8
271.18985	0.9
287.23694	19.8
290.05734	1.3
305.05490	4.4
305.08411	2.0
305.11292	2.1
305.14349	1.7
305.24756	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	305.2476
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03925	1.4
55.05268	1.1
55.05517	19.8
55.89405	0.9
56.20391	1.1
57.03433	1.1
57.07075	10.5
57.23406	0.9
59.09888	1.1
65.03950	1.4
67.05511	35.1
69.03417	1.8
69.07073	48.4
69.30246	8.4
71.04987	3.7
71.89661	1.0
75.18490	1.0
79.05496	14.5
81.07061	80.5
82.23440	1.1
83.04987	1.7
83.08625	20.2
85.06533	3.6
86.25753	0.9
91.05464	6.9
93.07053	31.6
95.04963	3.0
95.08612	100.0
97.06520	4.4
97.10181	13.2
99.08067	1.5
105.07038	14.7
107.08598	44.1
109.06485	1.7
109.10160	75.2
111.04437	10.2
111.08090	2.4
111.11719	8.3
113.06013	1.6
117.07009	1.6
119.08582	14.8
121.10149	37.4
123.08070	2.2
123.11710	38.6
125.05985	3.3
125.09675	5.9
125.13287	9.3
127.07475	1.4
131.08556	3.4
133.10147	11.7
135.08040	2.1
135.11696	23.9
137.05983	1.3
137.09645	2.6
137.13254	20.6
139.07530	2.8
139.11166	3.9
143.08533	2.2
145.10156	5.0
147.08122	1.2
147.11691	9.0
149.09662	1.6
149.13271	24.8
151.11229	1.4
151.14816	4.5
153.09088	3.4
153.12675	1.5
155.10562	1.7
157.10147	2.5
158.99591	1.0
159.11703	8.7
161.09599	1.8
161.13269	10.8
163.11176	4.2
163.14833	18.2
165.16426	1.3
167.10684	3.9
171.11748	1.5
173.13260	4.5
175.11198	1.5
175.14825	7.1
177.12770	4.1
177.16408	8.0
179.14362	1.3
181.12193	4.6
185.13232	1.5
187.14833	3.6
189.16380	8.1
191.14217	2.9
191.17842	1.2
193.12320	1.4
195.13814	3.4
195.17699	1.2
199.14818	2.1
203.17970	5.5
205.15918	1.1
205.19472	1.8
207.13753	2.0
209.15424	2.4
213.16321	3.5
217.15865	1.7
217.19545	2.2
219.17619	1.2
221.15370	1.9
223.17047	2.4
229.19650	1.3
231.17522	2.2
235.16913	3.0
245.22659	5.0
249.18523	3.1
259.24219	18.8
269.22644	7.9
277.25266	2.9
287.23688	19.1
305.21503	1.6
305.24741	45.1
309.13617	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2476
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03936	2.0
55.01873	1.8
55.05511	13.3
57.03425	1.6
57.07078	2.3
65.03934	1.7
67.05176	1.9
67.05506	25.8
67.06940	1.0
69.03416	3.9
69.06738	1.2
69.07075	17.6
71.04983	4.5
71.55476	1.4
79.05494	16.1
81.03423	24.9
81.07059	69.8
83.04962	3.6
83.08613	6.8
84.08118	1.0
85.06525	3.0
88.03989	8.1
91.05479	12.1
93.06480	1.9
93.07049	26.5
93.74769	1.0
95.04973	46.2
95.08613	46.0
95.09239	1.6
97.06529	8.0
97.10168	6.4
99.04378	1.2
99.08092	1.9
102.05558	11.9
103.05449	1.5
105.07037	21.9
107.04950	3.2
107.08604	22.2
109.02867	3.2
109.06509	6.1
109.10163	28.1
111.08083	3.0
111.11703	4.8
116.00163	1.0
117.06997	4.4
119.08586	14.2
120.08084	1.3
121.06488	5.1
121.10139	15.9
123.08067	4.9
123.11720	14.3
124.07628	1.5
125.05997	1.4
125.09637	3.0
127.03909	1.4
129.06993	2.0
130.06535	100.0
130.33998	1.1
131.06879	1.6
131.08548	5.1
133.10144	13.1
135.08067	20.4
135.11693	11.3
137.05975	2.1
137.09604	5.1
137.13254	5.3
139.11122	1.5
143.06999	1.3
143.08574	1.7
143.10652	1.6
145.10130	10.9
147.11697	12.1
148.06055	16.0
149.09627	5.6
149.13289	10.1
151.11140	3.9
151.14833	1.2
157.10143	3.0
158.10878	1.5
159.11708	7.6
161.09610	1.2
161.13240	7.5
163.11165	5.4
163.14835	3.9
164.07051	2.7
171.11737	2.2
173.13278	6.0
175.14784	4.0
177.12743	3.6
177.16365	1.9
182.06036	1.8
185.13266	2.1
187.14778	3.9
189.16380	4.2
193.15868	1.4
199.08638	3.6
199.14799	2.0
201.16338	2.3
203.17896	1.6
207.17401	1.2
213.16429	1.4
223.16994	1.4
229.19447	1.9
243.21294	1.5
259.10797	3.2
269.22571	4.6
287.10162	1.5
287.13693	2.0
287.16705	1.4
287.20386	1.7
287.23648	10.5
305.05475	8.9
305.11298	2.4
305.14886	2.3
305.18219	1.8
305.24722	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	305.2477
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
51.02372	1.0
53.03944	2.6
55.01863	2.1
55.05516	12.5
56.05019	1.3
57.03432	2.2
57.07062	3.1
59.05006	0.8
65.03925	1.1
67.05508	22.6
67.05872	1.3
69.03440	6.0
69.06731	1.5
69.07076	20.4
69.46970	6.2
70.06590	4.5
71.04987	3.5
71.08628	1.0
73.01134	0.7
79.05495	16.1
81.03426	12.4
81.07063	65.5
83.04987	5.7
83.08620	7.3
84.04486	2.2
84.08131	0.8
85.02915	7.0
85.06531	3.4
86.09708	2.2
91.04972	1.3
91.05488	14.4
93.06483	1.4
93.07051	27.1
95.04976	42.1
95.08613	40.8
97.02876	1.4
97.06540	9.8
97.10171	8.8
98.33547	0.8
98.97570	0.9
99.04453	1.6
99.08079	2.2
102.05525	2.2
103.05459	1.2
104.05334	1.1
105.07044	23.6
107.04956	3.0
107.08604	26.1
109.02871	3.7
109.05791	1.7
109.06521	23.9
109.10163	26.3
111.04439	2.6
111.07356	0.7
111.08092	3.4
111.11697	2.9
112.07590	3.6
115.05441	1.6
117.07002	6.4
118.06546	1.9
119.07796	1.5
119.08591	18.9
121.06504	5.3
121.10155	18.2
121.82138	0.9
123.04401	1.0
123.08091	5.7
123.11718	10.3
125.05962	2.2
125.09617	3.6
127.03922	1.3
127.07578	1.4
128.06235	1.5
129.06953	3.1
130.05023	10.5
130.06516	5.1
131.08583	9.7
132.10147	1.1
133.06578	1.0
133.09134	0.9
133.10138	13.6
135.08066	11.9
135.11703	12.9
137.05984	1.0
137.09596	3.6
137.13252	3.4
139.11092	1.4
140.07050	2.3
143.07047	2.2
143.08554	5.3
143.10591	1.2
144.09348	1.5
145.10130	13.3
147.08054	1.5
147.11696	10.5
149.09604	4.1
149.13268	7.6
151.03790	0.9
151.07619	0.9
151.11192	2.8
152.07042	1.4
155.08540	1.5
156.09259	1.0
157.10118	5.9
158.48753	0.9
159.04756	2.3
159.08099	0.8
159.11714	10.8
161.09618	2.4
161.13284	8.7
163.11168	3.6
163.14816	3.7
165.12752	1.6
169.10106	2.0
171.11755	5.1
173.13310	8.0
175.11185	1.6
175.14867	4.2
176.07309	1.3
176.14357	26.7
177.12694	4.3
177.16354	1.8
181.10092	1.0
181.12236	1.3
183.11676	0.9
185.13295	4.8
187.14830	3.4
189.12730	1.3
189.16365	2.6
191.14314	1.5
193.08656	0.9
195.11781	1.9
199.11118	0.9
199.14835	3.6
201.16374	1.8
203.14310	1.6
203.17967	2.4
205.15845	1.1
209.13249	1.1
211.14769	3.2
213.16399	3.1
215.18018	2.1
216.11327	1.1
217.15778	0.9
217.19614	1.5
226.52731	0.9
227.17964	1.9
229.15897	1.6
229.19542	1.2
230.08051	0.9
231.17484	1.3
241.19492	1.1
243.17572	1.2
243.21069	1.8
245.11729	1.3
245.22629	1.2
251.17882	1.9
251.20262	1.0
257.22693	1.1
269.19028	3.2
269.22610	6.3
274.63589	0.9
284.27368	0.9
287.10336	1.3
287.20099	3.7
287.23682	13.3
288.15790	1.8
293.13141	1.8
293.63525	0.9
305.05313	7.7
305.13907	5.8
305.21091	100.0
305.24716	38.1
306.21622	1.6
324.40253	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01859	0.8
55.05509	5.5
57.03430	1.1
57.07071	1.1
58.68582	0.3
62.83179	0.3
65.03925	0.6
67.05507	9.5
69.03430	1.2
69.06718	0.6
69.07072	7.5
70.80192	0.9
71.04987	1.4
79.05067	0.4
79.05498	6.4
81.03419	2.5
81.07062	33.3
83.04993	2.9
83.08630	2.8
84.04507	8.6
85.02907	13.8
85.03435	0.5
85.06527	0.8
86.06076	0.5
87.04472	0.5
91.05480	5.1
93.07053	10.8
95.01318	1.4
95.04974	29.5
95.08610	20.8
97.02877	0.4
97.06540	4.5
97.10179	2.6
98.97578	0.7
99.04487	0.8
99.08065	0.6
102.05551	5.8
103.05476	0.3
105.07033	7.4
106.04269	0.3
107.04939	0.7
107.07864	0.6
107.08597	11.6
109.02872	0.7
109.06523	3.9
109.10161	13.7
109.70853	0.3
111.04449	0.4
111.08081	1.5
111.11715	1.5
112.03954	1.0
113.02348	1.3
113.05981	0.6
113.09635	0.7
117.07019	1.0
118.06548	5.5
119.08588	7.0
119.09444	0.4
121.06516	0.9
121.10154	8.2
123.08106	1.8
123.11719	5.0
124.18244	0.3
125.06011	1.0
125.09627	1.0
127.03901	0.4
127.07555	1.0
129.06949	0.4
130.05009	42.2
131.08568	2.2
132.08075	2.2
133.08899	1.3
133.10130	4.8
134.09645	0.6
135.08063	2.1
135.11688	6.0
135.41472	0.4
136.07642	0.4
137.09607	0.9
137.13255	1.2
139.11221	0.4
143.07047	0.6
143.08582	0.9
144.08101	1.2
144.09190	0.4
145.10139	3.5
146.09608	1.6
147.08035	0.4
147.11693	4.9
149.09622	1.0
149.13261	4.9
151.11194	1.1
153.01807	0.5
153.09120	0.4
155.02493	0.4
157.10155	1.0
159.11711	3.7
161.09634	0.4
161.13269	3.7
163.11208	1.3
163.14871	1.7
164.07124	0.8
165.12708	0.8
171.11717	0.8
173.13266	2.9
175.14827	1.6
176.14355	100.0
177.12755	1.7
177.16417	0.9
179.14343	0.6
181.12260	0.4
183.13969	0.3
185.13245	0.9
187.14861	1.2
188.10735	1.0
189.16370	2.1
191.14230	0.6
191.17952	0.4
199.14856	0.8
200.10814	0.4
201.16466	1.0
202.15909	0.8
203.18022	0.6
205.15886	0.3
207.17519	0.4
213.16400	1.4
216.13850	0.6
217.19537	1.3
219.17540	0.3
223.16943	0.7
227.18024	0.8
231.05450	0.7
233.05647	1.0
241.19640	0.6
242.06247	0.8
243.21143	0.9
245.22705	0.4
259.13501	0.4
269.22595	2.6
287.10193	0.5
287.23669	6.3
288.15952	6.0
305.05521	9.3
305.11133	1.0
305.14746	1.7
305.18594	35.0
305.24606	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	305.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01876	1.3
57.03433	2.8
61.02647	0.6
61.02921	3.3
62.31858	0.6
69.03433	9.1
69.07071	3.2
70.64028	1.6
71.04984	1.0
73.02920	1.4
79.05497	15.9
81.03419	2.5
81.07059	7.5
85.02909	32.3
91.03961	1.0
91.05507	0.9
94.03502	0.6
95.04949	1.2
97.02895	6.5
97.06532	14.8
99.04454	1.9
107.04963	2.1
109.02889	3.0
109.06493	1.5
117.20592	0.6
125.05998	26.6
126.06754	0.8
126.20097	0.8
127.03936	5.6
143.07045	100.0
145.04958	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1595
Annotation	Creoside I
Peak:m/z	Relative Intensity
51.76630	1.4
53.03946	1.9
55.01858	2.5
55.05506	5.0
56.84632	1.5
57.03431	5.1
57.07064	3.2
61.02915	4.7
66.57890	1.5
67.05510	2.6
69.03439	17.0
69.71425	9.9
71.04998	31.3
71.33282	1.5
73.02901	2.3
73.06550	4.8
77.80226	1.6
79.05496	4.8
81.03402	5.9
81.07047	6.2
83.04995	7.8
83.08624	7.7
85.02914	29.5
85.06559	15.2
91.03954	1.7
95.04994	8.4
96.08136	3.1
97.02881	9.5
97.06520	3.2
97.10175	13.7
97.23109	1.8
98.20953	5.7
99.04488	2.2
105.07022	2.7
107.08601	49.1
109.02878	1.7
111.05517	2.3
115.10143	1.8
123.04319	1.6
124.07592	10.9
125.06012	2.4
125.08024	12.9
125.09637	90.4
127.03899	4.6
137.05980	2.9
137.09578	3.8
139.03925	4.5
143.06970	3.0
143.10686	100.0
145.04984	6.0
157.06116	2.2
167.10727	7.9
187.03488	1.6
209.11818	2.5
233.11745	1.8
275.45917	1.7
305.11047	3.1
305.15350	1.9
310.56180	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0634
Annotation	(plusmn)-Taxifolin
Peak:m/z	Relative Intensity
52.77254	6.4
69.91508	24.1
71.36085	6.4
95.27153	5.6
98.20808	8.3
118.94621	5.6
130.51239	5.5
131.57693	6.4
175.41637	6.0
305.06329	100.0
314.00302	5.9
326.18311	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	305.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
57.03424	0.8
67.05492	1.3
67.15706	0.8
69.03429	2.5
69.07070	8.9
70.98989	1.8
73.06525	0.8
74.06081	1.1
79.05494	6.3
81.07044	1.6
83.04935	0.9
85.02901	5.8
90.16714	0.8
97.02902	1.5
97.06534	51.6
105.22231	0.8
107.04944	1.0
109.02848	1.1
116.07041	0.7
123.04394	1.0
125.05998	72.5
126.03680	1.0
127.03905	1.9
137.05930	1.0
139.03934	1.8
143.07043	100.0
144.04822	4.3
151.03886	1.3
194.88496	0.9
217.04932	1.1
245.04352	1.0
287.05579	0.9
305.11118	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01870	1.2
55.05508	1.1
56.96567	49.4
57.03419	2.8
61.02915	3.1
69.03433	9.2
69.92934	3.1
70.06581	1.6
70.98125	25.4
71.04961	1.4
71.18900	0.9
71.95274	4.7
72.08174	1.2
72.96043	2.2
73.02921	2.0
74.97604	1.2
81.03405	2.5
81.04549	1.3
82.93855	0.9
84.08150	1.3
84.96027	4.8
85.02428	1.5
85.02908	22.5
87.04450	1.1
88.99173	4.4
91.03928	1.5
92.65967	0.8
97.02906	15.2
97.06535	1.7
98.97588	100.0
99.04449	1.4
101.00878	3.3
102.75646	1.0
105.03385	1.8
109.02886	2.1
110.97572	8.7
112.99116	6.1
113.00848	1.1
113.03485	1.0
115.00689	2.1
115.02458	0.9
116.97818	2.1
116.98620	33.4
119.01911	2.2
124.95486	12.6
124.99108	14.2
125.02360	26.2
125.06001	2.6
126.97072	0.9
127.00720	1.3
127.03906	4.1
128.98601	8.7
131.00209	4.5
131.01888	3.2
133.01674	1.3
134.99658	7.4
138.97070	1.8
140.98610	3.0
142.96521	8.0
143.00177	26.4
143.01939	3.5
143.03397	33.1
143.07018	4.3
143.08160	8.1
144.98111	2.1
145.01715	4.0
145.04947	2.7
146.99670	5.2
149.01244	1.7
152.94958	3.8
154.93291	1.2
154.96521	3.7
155.00175	1.0
155.01900	2.4
156.98056	6.1
157.01657	0.9
157.03473	1.3
158.99649	11.4
160.97618	2.3
161.01228	18.8
161.02928	3.2
161.06595	1.6
163.02779	1.5
165.00726	2.2
170.96014	14.0
172.94348	1.6
172.97618	8.5
173.01192	3.5
173.06729	1.0
174.99162	7.7
175.02844	1.2
177.00706	5.9
178.04907	3.6
179.02274	2.6
182.99564	1.1
184.97604	7.4
185.01224	15.1
185.02925	3.1
186.99101	4.5
188.97083	17.8
189.00705	8.3
190.98666	7.0
191.02267	3.2
191.03920	1.0
193.00287	5.7
197.02991	1.0
201.00702	3.3
202.98651	13.2
203.02303	21.3
203.03998	3.4
203.07631	3.1
205.00223	4.2
206.98099	5.6
207.01860	3.1
208.99586	1.4
212.97055	5.3
214.98657	5.3
215.02115	1.1
215.07692	2.9
217.00212	5.5
219.01700	5.1
220.99715	12.1
221.03152	1.6
221.05090	2.6
223.01279	1.2
224.06226	1.6
230.98151	22.0
232.96394	1.7
232.99748	7.9
235.01239	4.4
237.02888	1.7
244.99756	7.9
245.03282	3.3
245.05171	3.1
247.01488	1.1
248.99200	12.3
251.00677	1.1
257.98529	1.0
263.00766	19.1
263.03802	0.9
267.00134	1.6
275.00580	1.3
281.01886	11.8
293.01773	1.1
305.01880	1.7
305.05743	7.4
305.11356	13.0
323.06546	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01841	0.3
55.05508	0.5
55.66093	0.2
56.05019	0.2
56.96570	0.5
57.03435	0.5
58.26207	0.2
61.02920	0.7
67.05507	0.3
68.05023	0.4
69.03436	2.2
69.07070	0.5
70.25003	0.7
73.02921	0.5
74.06075	0.5
74.56258	0.2
79.05500	4.1
80.05012	0.6
81.03408	0.9
81.05801	2.9
81.07059	3.9
82.02943	0.5
82.06572	0.7
83.18636	0.2
85.02908	4.5
86.06037	0.2
86.09702	2.3
87.04465	0.8
94.06575	0.6
95.04955	0.3
96.04533	1.2
96.08134	7.6
97.02908	1.3
97.06535	0.3
98.06076	0.5
98.97576	1.4
99.04444	0.3
101.44303	0.2
106.06554	0.6
107.04949	0.4
107.91595	0.2
109.02875	0.7
109.05250	0.5
112.07619	1.2
116.98666	0.2
124.07597	100.0
125.07969	0.3
127.03908	0.8
131.00146	0.2
142.08641	18.3
143.07068	0.3
143.11758	0.3
145.04929	0.7
155.93028	0.2
157.13373	0.9
173.01230	0.5
187.14470	0.5
189.00766	0.3
281.01712	0.4
286.13080	0.3
304.14008	0.9
304.17587	1.5
306.21423	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
55.05499	1.3
57.03434	3.9
58.06606	1.2
60.04537	6.5
61.02922	3.8
67.05455	1.1
69.03429	10.9
69.07068	31.0
71.05007	1.4
71.08634	18.7
71.19592	1.8
71.60158	1.0
73.02924	2.2
81.03411	6.4
84.04509	2.7
85.02909	54.3
86.02431	3.3
91.03947	1.3
91.16803	1.2
92.75538	1.2
96.04503	1.0
96.08127	3.7
97.02892	33.6
97.06524	4.5
99.04448	3.6
103.03922	4.2
106.10265	0.9
109.02898	10.5
114.09173	19.7
124.07606	1.6
127.03917	12.3
138.09154	4.4
142.08640	100.0
145.04944	6.8
156.10201	2.3
184.09697	63.7
208.09700	15.9
220.09674	1.2
238.10806	2.2
250.10765	10.4
286.12848	1.3
304.13995	2.7
328.58856	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.4
55.05511	2.7
56.96570	44.1
57.03428	10.2
61.02911	10.8
61.85385	2.2
69.03434	21.8
69.45806	19.4
70.03774	3.9
70.06591	6.6
70.98109	10.5
71.04990	5.5
71.95275	2.5
72.08170	17.7
72.65704	2.8
73.02913	10.2
78.23253	2.4
81.03416	6.7
81.04548	3.8
81.17504	2.3
82.02924	10.9
82.06580	3.3
84.04500	4.1
84.08129	4.0
84.96038	4.2
85.02916	38.4
86.03242	2.8
86.09712	4.5
87.04457	6.9
88.99125	4.2
97.02350	3.2
97.02896	23.6
98.03232	2.8
98.97596	76.6
99.04430	4.5
100.03985	7.4
100.07653	3.4
100.99128	4.5
101.00874	3.4
107.01317	2.6
110.01273	3.1
110.18183	2.2
110.97614	17.3
112.99151	11.2
115.00731	3.1
115.02428	2.4
115.03931	3.1
116.07111	8.5
116.98627	26.3
119.01889	4.9
124.95511	6.2
127.00726	4.4
127.03930	6.1
128.98627	15.5
130.01791	3.5
131.00174	8.1
131.01901	2.4
131.03609	2.8
133.03416	3.5
133.05029	2.5
134.99644	3.9
140.08153	2.6
141.01204	28.3
142.01773	7.3
142.09779	4.8
142.12270	5.7
142.96515	3.7
143.00145	8.6
143.01973	2.4
144.98097	2.5
145.01736	7.2
145.04970	4.3
146.99628	6.8
149.01096	2.6
156.98062	3.4
158.99643	9.7
160.02798	7.2
163.02766	4.8
163.04373	4.5
163.54507	2.8
169.04417	5.2
169.54611	7.8
170.04825	2.4
170.96040	7.6
172.05376	13.9
172.97530	4.2
174.99132	7.1
175.02832	3.9
178.04942	9.3
178.55141	8.6
182.03310	2.5
184.05090	6.7
184.97668	3.2
188.97041	9.3
189.00761	5.6
190.98657	4.6
192.03903	2.6
193.00232	3.7
193.55554	3.6
198.02788	3.4
201.00690	4.9
202.98613	8.7
205.00229	3.6
205.03738	2.9
206.07004	3.1
213.03432	3.1
213.53375	2.8
214.04005	3.9
214.21800	2.5
214.98738	4.2
218.03377	3.1
218.49792	4.0
219.01678	12.0
220.99596	5.8
221.05075	3.6
222.05371	3.8
222.07484	8.5
222.57686	7.9
223.05997	8.5
223.07967	3.6
230.98099	9.3
237.02769	9.5
244.04904	2.5
244.99654	4.4
248.99152	4.4
257.03522	2.5
263.00717	8.3
274.08463	4.7
281.01788	7.5
303.60489	35.9
303.63544	4.6
304.07877	100.0
304.11075	5.3
304.14008	8.7
307.06888	3.4
322.07986	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	303.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59050	1.1
57.07072	1.3
61.03090	0.9
67.05495	2.8
67.97333	1.0
69.03434	5.6
69.07066	2.6
69.59331	6.8
70.06584	1.4
71.04995	1.1
79.05499	2.7
81.07057	2.4
87.62396	1.2
88.07639	1.9
91.05498	2.9
93.07039	3.7
95.05014	1.5
95.08618	2.1
105.07018	5.8
107.08561	1.4
109.06561	1.5
115.05469	2.1
117.07027	2.1
119.04926	1.0
119.08585	4.5
121.06541	2.4
123.08070	0.9
128.06227	3.0
129.07016	4.6
129.66823	0.9
131.08600	4.9
135.08073	1.5
141.07014	4.5
142.07808	3.8
143.08588	15.0
145.06461	3.0
145.10141	4.3
147.08058	4.2
153.07030	5.8
154.07777	3.0
155.08562	19.8
156.09395	2.5
157.10132	4.7
158.10847	1.1
159.08046	2.1
159.11716	1.8
165.07022	3.6
166.07797	4.2
167.08578	6.6
168.09406	7.1
168.10608	1.6
169.06468	2.9
169.10121	9.5
171.08057	2.7
171.11682	3.3
173.09631	2.1
173.13301	2.3
179.08521	1.7
180.09401	1.5
181.10143	9.1
182.10941	5.3
183.08081	16.2
183.11697	11.5
184.08826	4.3
185.09601	4.8
187.11171	1.9
192.09271	1.4
195.08110	2.7
195.11728	4.2
196.08844	1.9
197.09662	1.9
197.13268	13.6
199.11201	100.0
200.11893	3.7
201.12767	42.9
207.11676	3.7
210.10405	2.6
213.12766	1.7
214.13602	1.6
215.14317	4.9
225.12753	33.4
229.05069	1.3
243.13837	47.2
257.04401	1.0
261.15054	1.8
303.04974	10.6
303.16013	17.3
303.30829	14.5
303.33972	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01871	0.8
55.05510	0.5
62.59096	0.3
65.03939	0.7
66.99103	0.3
67.01855	0.5
67.05490	0.9
68.99795	1.9
69.03433	0.6
69.07088	0.3
71.04994	0.7
78.63697	0.3
79.01917	0.2
79.05485	0.7
80.05023	0.2
81.03423	1.0
81.07058	1.3
82.06580	0.6
84.48987	0.3
85.02908	0.5
85.06572	0.3
91.05492	1.0
93.03438	0.3
93.07040	1.2
94.06578	1.6
95.04982	1.3
95.08629	1.6
97.06540	0.3
98.21507	0.9
98.97589	0.3
99.69201	0.2
103.05451	0.3
105.07048	1.2
106.06559	1.3
107.04945	0.3
107.08607	0.8
108.04472	2.5
108.08089	0.5
109.02879	0.8
109.10164	0.7
110.03657	0.3
111.00808	1.6
115.05496	0.3
117.07003	0.3
119.08644	0.6
120.04453	0.8
120.08128	0.5
121.02876	1.7
121.06541	0.5
121.10146	0.7
122.06008	0.9
123.04432	0.8
123.11653	0.4
127.03898	0.3
128.06239	0.7
129.07048	0.4
131.04958	0.5
132.08128	0.3
133.02844	0.3
133.06570	0.4
133.07558	0.4
133.10156	0.5
134.06024	1.8
135.04433	0.6
135.08090	0.3
135.11671	0.3
136.07602	0.4
137.02353	7.2
137.03398	0.4
137.05983	4.5
138.05508	0.9
141.09169	0.4
143.08553	0.4
145.02820	0.3
145.06493	1.1
145.10124	0.3
146.06044	0.3
147.11716	0.3
148.07571	0.8
149.02348	1.0
151.07561	0.4
153.01845	9.4
155.04956	0.6
156.08087	0.4
158.09628	0.4
159.04369	0.4
159.09171	0.4
159.11732	0.3
160.07478	0.5
160.09822	0.3
161.05968	0.7
161.07118	4.7
163.03925	1.0
163.07567	0.3
165.01836	3.8
166.02603	0.7
170.09671	0.7
171.08073	0.9
172.11206	0.4
173.06021	1.0
173.10780	1.4
173.13286	0.3
174.09160	0.3
176.07091	1.0
183.02908	1.6
183.04449	0.9
184.05258	0.3
184.07642	0.6
184.11234	0.4
186.07898	0.8
187.03928	1.0
187.08701	2.5
187.12381	0.8
191.07077	0.3
194.08076	0.7
195.02925	0.6
197.10803	0.7
198.09142	0.6
199.07561	1.2
200.09369	0.4
201.05450	4.0
201.10275	5.9
201.13945	0.3
203.03627	0.3
203.11882	0.3
205.04900	0.4
211.08871	0.3
211.12315	0.4
212.10783	0.8
213.05618	0.3
213.10182	0.6
214.12370	0.3
215.08215	1.6
215.11850	2.3
217.04935	0.4
225.10287	0.5
226.11066	0.7
228.04149	0.7
229.04971	8.2
229.09761	3.4
229.13338	1.3
231.11301	0.4
239.03456	0.4
239.11763	1.3
240.10158	0.5
241.09686	1.0
241.13309	0.5
242.10619	0.8
243.11404	2.4
246.05173	0.3
247.06058	1.0
247.10764	0.5
247.14474	1.1
252.09018	0.3
257.04459	4.6
257.12863	5.3
261.12439	0.5
267.11230	1.5
271.09644	0.4
274.04767	1.1
275.05612	0.6
275.13913	4.2
285.03964	2.4
285.06863	0.4
285.12372	4.9
303.05023	100.0
303.13376	54.6
303.23065	0.8
304.05267	1.4
304.13354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44854	0.4
53.03946	0.6
55.01867	0.7
55.05495	0.5
58.86528	0.4
61.02928	0.6
61.53588	0.4
62.74297	0.4
65.03965	0.5
67.05502	1.9
68.05844	0.7
69.03419	2.0
69.07059	0.8
70.06591	0.6
71.54201	0.6
72.08160	1.0
73.02892	0.4
79.05479	0.9
79.19678	0.4
81.03400	1.0
81.07039	0.9
82.42176	0.4
83.04960	0.5
84.08132	0.5
85.02911	2.7
86.03274	0.5
86.09688	1.7
91.05483	1.3
93.07048	0.6
94.04207	3.4
95.04978	2.0
95.08613	1.0
96.05327	0.9
97.02908	2.3
97.06546	4.1
98.21159	0.4
99.04422	0.6
103.05452	0.6
105.07017	0.5
107.04922	0.7
107.08599	0.5
109.02854	0.7
109.06522	0.7
112.07616	1.2
113.06027	0.8
113.07883	0.6
114.65453	0.5
119.04951	0.8
122.03640	7.8
123.04404	0.8
127.03902	0.9
136.07607	0.7
137.05980	100.0
138.06364	0.5
139.03989	0.6
140.07060	1.9
141.05463	1.4
141.07385	1.8
141.09120	0.8
147.04430	0.8
149.05992	1.0
153.05473	0.9
153.06987	1.1
159.06502	0.5
163.03914	0.5
165.06978	0.8
167.07002	1.0
173.07141	1.3
178.30241	0.4
179.07086	0.5
181.06458	0.9
182.08138	0.7
183.08449	2.3
197.07227	0.4
203.03445	0.6
206.08420	1.6
211.12283	1.0
213.08899	0.5
221.05995	0.5
221.10712	0.9
224.09480	0.9
225.09145	0.8
238.11024	0.8
239.08157	1.3
239.11807	1.9
253.08696	0.6
257.12915	0.6
267.11313	4.1
271.09842	0.7
272.11279	0.5
273.11279	1.1
283.71222	0.4
285.09241	0.8
285.12311	5.4
303.05139	2.7
303.09677	2.4
303.13638	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	303.1076
Annotation	Isotachioside
Peak:m/z	Relative Intensity
52.58175	1.5
53.03948	5.3
55.01871	4.4
55.05511	43.8
57.03429	3.7
57.07063	2.9
61.02918	3.4
67.05516	3.9
69.03432	42.1
69.07060	2.5
69.83664	9.5
70.06608	3.1
71.04991	8.0
72.08147	5.0
73.06556	100.0
79.05497	4.7
81.03416	20.7
81.07063	4.1
83.04977	3.9
83.08643	1.7
84.04524	2.2
85.02905	31.8
86.09712	6.6
87.00810	2.3
87.04448	2.5
91.05461	3.4
93.07013	2.3
94.04187	2.7
95.04964	4.5
95.08616	5.1
97.02901	17.7
97.06522	7.3
98.21440	2.8
98.97583	3.1
99.04449	13.4
101.06018	93.4
105.07047	2.4
107.08577	2.2
109.02892	8.9
109.06535	1.9
111.04449	3.8
113.06021	4.1
117.03454	1.9
117.67848	1.7
122.03654	6.6
123.04431	2.7
123.08054	3.7
125.02396	2.5
125.05997	2.1
127.03928	20.6
131.07005	2.6
136.07561	2.2
137.05981	82.5
139.03893	2.4
140.07091	3.3
141.05469	70.6
141.07256	2.6
141.09100	2.6
143.03407	5.6
145.04939	6.5
147.08063	1.7
151.03973	3.0
151.07518	2.4
153.05504	10.2
153.06795	1.5
155.48308	2.5
156.13788	1.9
163.03947	6.1
165.05493	7.4
165.06903	1.8
167.07039	19.3
171.02829	2.5
177.05463	2.6
179.07079	2.9
181.08591	5.5
181.70724	1.7
182.08330	2.3
183.06546	6.0
184.86012	1.9
189.04057	2.8
191.07039	2.3
196.05107	2.0
196.09984	2.8
199.09656	6.2
206.08424	7.4
207.06549	3.7
211.07295	2.0
211.12320	3.6
213.03908	5.0
221.10683	3.7
223.08624	2.5
224.09389	3.4
225.10323	1.9
231.03023	2.1
231.05032	8.2
239.08209	5.6
239.11845	5.7
257.09439	2.4
257.12573	3.1
267.11307	15.3
275.13977	2.3
285.09598	19.6
285.12411	20.1
303.04996	4.8
303.10327	20.9
303.13559	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	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
54.89387	0.2
55.01860	0.3
55.05503	0.3
65.03944	0.9
67.01846	0.3
67.05502	0.9
68.99792	1.8
69.07070	0.3
69.41759	0.8
69.42169	0.6
79.05502	0.4
81.03419	0.5
81.07061	0.7
85.39533	0.2
91.05484	0.5
92.05028	0.3
93.03390	0.7
93.07047	0.7
95.04982	0.9
95.08596	0.8
98.20748	0.3
103.05464	0.2
105.07034	0.6
107.08598	0.6
109.02887	1.0
109.10154	0.5
111.00793	1.5
119.08591	0.3
120.08128	0.3
121.02872	1.6
121.06481	0.3
121.10149	0.4
123.04410	0.6
123.11716	0.3
127.03809	0.2
129.07005	0.2
131.04909	0.4
131.08568	0.3
133.10144	0.4
135.04437	0.3
135.11705	0.2
137.02353	6.1
137.03397	0.4
137.05984	2.7
137.13097	0.2
138.05495	1.8
138.09129	0.8
143.70461	0.2
145.02815	0.4
145.06490	0.7
147.04402	0.2
147.11728	0.4
149.02408	0.9
153.01836	8.3
153.51256	0.2
155.04942	0.9
155.06064	0.2
159.04422	0.3
159.11600	0.2
161.06004	0.6
163.03885	1.2
165.01859	3.7
166.02603	0.6
166.05003	2.5
173.02467	0.2
173.05984	1.2
179.03384	0.4
183.02907	1.2
183.04434	0.7
185.05963	0.2
187.03937	0.7
191.03410	0.4
201.05489	3.8
205.04965	0.3
211.03952	0.4
212.10695	0.2
214.12271	0.2
219.06599	0.5
228.04222	0.6
229.04962	8.2
232.13408	0.3
239.03558	0.2
239.11859	0.2
242.11879	0.2
245.04659	0.2
247.05948	1.1
256.08521	0.2
257.04468	4.1
257.12955	1.0
259.12424	0.2
260.12726	0.2
267.11304	0.2
271.09854	0.2
272.11554	0.8
274.04703	1.4
274.09460	0.6
275.13849	0.4
285.03885	1.9
285.12360	1.8
303.05008	100.0
303.13223	8.3
303.22751	1.1
304.05389	0.7
304.13934	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.50869	0.1
53.03947	0.1
53.08242	0.1
55.01886	0.3
56.06361	0.1
56.87313	0.1
59.08389	0.1
65.03944	0.5
67.01862	0.3
67.05511	0.3
67.51894	0.1
68.99433	0.1
68.99788	1.8
69.03416	0.2
69.41250	0.3
69.41672	0.1
71.01369	0.1
71.04994	0.1
71.72169	0.1
79.05495	0.1
81.03420	0.5
81.07048	0.2
82.06578	0.1
85.02926	0.1
91.05469	0.2
93.03414	0.6
93.07019	0.1
94.06563	0.2
95.04964	0.7
95.08607	0.2
97.02889	0.1
97.06549	0.1
103.05472	0.1
105.03419	0.1
105.07035	0.2
106.06532	0.1
107.04954	0.2
107.08609	0.1
108.04486	0.3
109.02888	1.0
109.10181	0.1
110.03711	0.1
111.00808	1.8
111.04462	0.1
113.05988	0.1
115.05441	0.1
117.07017	0.3
119.04979	0.1
119.08514	0.1
121.02870	2.0
121.10122	0.1
122.06029	0.1
123.04453	0.6
123.08053	0.1
125.02333	0.1
126.03064	0.1
127.03108	0.1
127.03921	0.4
127.05396	0.1
128.06252	0.1
129.06989	0.1
131.04932	0.3
133.02863	0.1
133.06509	0.1
134.06033	0.2
135.04439	0.5
136.07565	0.1
137.02345	6.6
137.03391	0.4
137.05980	0.6
138.05504	0.1
139.03911	0.1
143.04926	0.1
145.02823	0.2
145.06499	0.5
147.04390	0.1
147.11775	0.1
148.07661	0.1
149.02371	0.8
149.05991	0.1
149.13336	0.1
151.03918	0.1
153.01830	9.2
155.04922	0.9
155.06059	0.1
157.06531	0.2
158.09615	0.1
159.04436	0.3
161.05971	0.6
161.07143	0.4
163.03928	1.2
165.01846	3.6
166.02628	0.6
167.03410	0.1
168.03311	0.1
170.09654	0.1
171.03015	0.1
171.04416	0.1
173.02454	0.1
173.05997	1.4
173.10760	0.2
176.06981	0.1
177.01831	0.2
177.05521	0.2
179.03406	0.4
183.02896	1.3
183.04448	0.8
184.05183	0.1
185.05994	0.1
187.03934	0.9
187.08688	0.3
189.05574	0.1
191.03404	0.3
191.07072	0.2
193.05122	0.1
194.02174	0.1
195.02945	0.4
198.09192	0.1
200.09280	0.1
201.05472	4.1
201.10236	0.5
203.03249	0.1
205.04944	0.4
207.02902	0.2
211.03940	0.3
213.05479	0.2
215.03386	0.3
215.08104	0.1
215.11832	0.2
219.02957	0.3
219.06548	0.6
228.04242	0.6
229.04970	8.9
229.13371	0.2
231.02982	0.1
232.03676	0.2
233.04527	0.1
239.03571	0.3
239.11826	0.1
243.02829	0.1
243.11212	0.3
245.04500	0.2
246.05196	0.2
247.06044	1.2
247.14371	0.1
252.08720	0.1
257.04443	4.9
257.12863	0.6
267.11395	0.1
274.04733	1.2
275.05511	0.3
275.13919	0.5
285.03961	2.3
285.12329	0.4
286.04614	0.1
303.04990	100.0
303.13364	5.0
304.05377	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.1
55.01865	0.2
56.30714	0.1
65.03925	0.4
67.01867	0.3
67.05499	0.2
68.99796	1.9
69.03450	0.1
70.98930	0.2
81.03421	0.5
81.17653	0.1
83.85707	0.1
91.05483	0.2
93.03398	0.4
95.04971	0.6
97.89104	0.1
105.03416	0.2
105.07040	0.1
107.04935	0.2
109.02878	0.9
111.00808	1.6
115.05441	0.1
117.07050	0.2
121.02866	1.9
123.04446	0.5
127.03960	0.3
127.05405	0.1
129.46950	0.1
131.04892	0.3
133.02864	0.1
135.04424	0.4
137.02353	6.5
137.03409	0.5
143.04916	0.2
145.06482	0.5
149.02353	0.8
153.01833	9.3
155.04904	0.7
157.06470	0.1
159.04416	0.2
161.06018	0.6
163.03925	1.1
165.01845	3.9
166.02626	0.5
173.05994	1.1
177.01828	0.3
177.05444	0.2
177.75670	0.1
179.03334	0.3
183.02896	1.3
183.04434	0.8
187.03896	0.8
191.03418	0.2
193.31567	0.1
195.02898	0.4
201.05490	3.7
203.03450	0.1
205.04942	0.4
207.02937	0.2
211.03944	0.3
213.05475	0.3
215.03450	0.2
215.32898	0.1
217.05223	0.1
219.02983	0.2
219.06586	0.4
228.04141	0.6
229.04971	8.6
232.03694	0.2
239.03427	0.4
245.04485	0.2
246.05382	0.2
247.06087	1.1
257.04465	4.9
258.05023	0.1
274.04733	1.3
275.05417	0.4
285.04010	2.1
286.04742	0.2
303.04999	100.0
304.05353	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
57.16632	0.2
57.46346	0.1
65.03928	0.4
67.01866	0.4
67.05495	0.2
68.99795	1.8
69.03434	0.2
70.10122	0.6
81.03405	0.6
91.05473	0.2
93.03387	0.5
95.04958	0.6
98.20868	0.2
107.04963	0.2
109.02879	0.9
109.70535	0.1
111.00812	1.6
117.07007	0.4
118.88110	0.2
121.02884	1.9
123.04446	0.4
127.03924	0.4
131.04950	0.3
135.04424	0.6
137.02351	6.4
137.03400	0.6
139.05338	0.2
145.06477	0.5
149.02357	0.7
153.01837	8.5
155.04950	0.9
159.04428	0.3
161.05971	0.6
163.03937	1.0
165.01839	3.2
166.02625	0.5
173.02399	0.2
173.05969	1.2
177.05400	0.3
179.03380	0.3
183.02887	1.1
183.04445	0.8
187.03929	0.8
188.97208	0.2
191.03308	0.3
191.06964	0.2
195.02890	0.4
201.05469	3.6
205.04970	0.3
211.03983	0.4
213.05463	0.3
215.03337	0.2
219.02942	0.2
219.06540	0.4
220.03317	0.2
228.04257	0.4
229.04968	7.5
239.03462	0.4
247.06015	1.4
257.04456	4.8
274.04745	1.4
275.05539	0.4
282.04669	0.2
285.04007	2.1
285.16357	0.2
286.04694	0.2
303.04999	100.0
304.05298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	0.9
64.54758	0.2
69.60331	1.0
70.93741	0.2
81.18224	0.2
82.99845	0.4
85.71040	0.2
98.21478	0.4
98.97585	9.4
99.97908	0.7
100.97182	0.3
101.00880	2.7
102.96866	0.4
109.81664	0.2
116.98624	4.5
117.98931	0.3
119.01920	4.1
134.99680	1.3
137.02957	0.3
140.98833	0.4
158.99889	2.0
165.99667	0.5
172.64786	0.2
175.03052	0.3
175.44983	0.2
176.99374	0.5
177.00951	9.3
177.08087	0.2
178.01044	0.5
182.99847	1.1
201.00951	2.9
207.42209	0.2
216.98683	0.2
217.04041	2.0
218.03746	0.2
219.02002	17.7
220.02039	1.0
221.01884	0.6
225.00871	2.4
227.47398	0.2
234.00757	0.2
242.03577	0.3
243.01984	12.9
244.02153	0.6
244.39647	0.2
258.99887	0.2
260.04770	0.2
261.03055	100.0
261.97256	0.4
261.99979	0.9
262.03198	5.3
263.03268	0.5
278.00757	0.2
278.97229	0.3
279.00537	3.2
279.98120	1.5
280.01001	0.9
284.04678	1.8
284.99838	2.4
297.98520	0.2
301.01144	0.3
303.00833	2.1
303.04483	2.5
320.98187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
53.51488	0.7
55.01876	12.6
55.05494	3.8
56.96569	15.5
57.03447	7.5
57.07099	0.8
60.04500	0.8
61.02936	7.6
65.03928	2.2
67.05508	10.6
68.05014	1.2
69.03436	25.3
69.06734	1.1
69.07075	15.2
70.06589	6.5
70.70041	1.6
70.70413	2.0
70.98123	1.1
71.01341	0.8
71.04972	2.6
71.95266	1.1
72.04533	0.9
72.08170	4.3
73.02913	6.9
73.06551	1.3
79.05505	6.1
80.01402	0.9
80.04990	1.1
81.03427	6.6
81.04530	2.8
81.07068	4.5
82.03724	0.8
82.06551	3.1
83.04984	1.5
83.08599	1.0
84.04500	2.1
84.08160	5.6
84.96005	2.1
85.02451	1.5
85.02914	28.6
86.09691	3.5
87.04462	3.4
88.03959	1.1
91.03931	1.8
93.03400	0.8
93.07017	2.3
94.02941	5.3
94.06582	6.2
95.04969	7.2
95.08589	2.4
96.04487	6.4
96.08109	2.4
97.02308	1.1
97.02901	14.9
97.06537	60.6
98.97590	23.5
99.04450	2.8
100.07603	2.6
100.99141	1.2
101.00831	0.9
103.03919	2.5
103.05495	0.9
105.03381	5.8
105.07010	1.0
107.04929	2.0
108.08115	13.9
109.02871	3.9
109.06494	2.8
110.06025	2.1
110.07155	1.4
110.97543	5.9
111.04426	1.8
111.08093	16.5
112.07623	15.1
112.99120	1.7
113.06087	1.2
116.07076	2.2
116.98624	8.3
119.01885	2.4
119.04914	1.2
120.08078	0.8
121.06468	1.8
122.02411	2.5
122.06036	76.0
122.07021	3.2
123.04416	3.9
123.08058	7.0
124.07596	19.5
125.09573	1.1
126.05427	0.9
127.00722	0.9
127.03926	12.1
127.07571	1.3
128.98578	3.9
129.02245	1.1
129.10237	2.7
130.08618	1.0
130.12268	2.5
131.00179	1.7
134.05988	3.2
134.99597	1.3
135.04388	1.8
135.08067	1.4
136.07602	5.0
137.05981	2.5
138.05522	0.9
138.09274	1.0
140.03441	57.9
140.07085	100.0
140.08162	9.9
140.98579	2.1
141.05472	1.0
143.00143	3.1
143.01830	1.8
144.98068	1.1
145.01736	1.5
145.04955	5.7
146.08122	1.1
146.99678	2.2
147.03232	2.1
147.04373	1.7
149.05931	2.0
149.09593	2.1
152.07079	13.3
154.08615	1.8
155.04620	3.5
156.03294	3.5
157.01762	1.0
158.08133	7.4
158.99678	11.5
161.01173	1.3
161.02965	1.8
162.03206	0.9
163.02747	1.5
164.05220	1.1
164.07025	2.4
166.05032	1.0
167.07068	1.4
168.03326	2.1
168.06567	24.5
170.08063	1.1
170.99622	3.7
173.02811	1.4
174.04373	1.4
176.05154	2.6
177.00737	5.4
177.04112	1.2
177.05533	2.3
177.09082	1.5
182.08145	10.0
182.99669	1.0
185.16423	1.1
186.02968	0.9
186.04434	8.9
188.17612	1.4
189.00755	1.9
189.04279	1.8
191.02240	1.2
191.03954	2.6
194.08159	5.6
196.09657	1.8
197.01270	1.7
198.07518	2.4
200.04420	2.2
201.00713	2.7
204.05469	4.3
206.08215	1.8
212.06177	1.6
212.07954	1.1
213.03453	1.1
214.03789	2.0
219.01706	6.8
220.09642	3.0
221.04922	1.1
221.06844	1.3
227.06822	1.3
233.08003	1.3
236.09210	1.9
237.02856	4.4
243.01593	1.0
248.09306	5.4
253.07498	2.0
260.04523	1.5
261.02765	4.4
266.10046	1.1
270.14960	1.1
271.08548	1.2
273.08835	2.5
278.96823	1.0
279.03717	1.7
284.04343	4.1
284.11249	7.0
284.23419	1.6
291.07553	2.2
293.10886	1.1
297.06265	2.6
302.05328	2.3
302.09103	3.6
302.12363	37.2
302.17636	1.5
302.20810	1.3
303.10474	1.4
307.07346	1.1
309.08572	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	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01866	2.4
57.03419	4.3
57.53852	1.9
61.02918	5.2
63.10303	1.6
67.05502	7.6
69.03432	13.6
69.07067	2.4
70.06596	25.0
70.65694	2.4
70.65998	2.3
72.08163	8.4
72.08488	1.5
73.02910	4.7
79.05486	5.1
81.03422	8.8
81.07048	6.0
84.08155	2.1
85.02905	86.1
86.09686	6.0
91.03989	1.9
91.37498	1.7
94.06566	2.2
95.04981	4.3
97.02894	44.7
97.06532	2.3
98.09658	2.4
98.20769	2.0
99.04447	1.9
103.03928	7.7
108.08121	13.0
109.02863	14.1
109.06507	1.6
110.06070	2.8
112.07611	25.6
122.06010	4.9
125.05963	6.0
126.05501	6.8
126.09126	5.9
127.03928	21.3
132.10164	3.0
134.23955	1.5
136.07553	18.2
140.07068	58.0
143.11766	4.4
145.04974	14.6
150.09126	4.4
152.07059	19.3
154.08618	5.4
157.13246	2.5
158.08183	2.8
163.05980	3.4
164.07065	21.8
171.11285	4.4
178.08624	17.9
182.08133	100.0
185.12900	1.9
189.12346	3.1
206.08122	45.3
218.08150	4.8
236.09171	5.2
248.09180	12.2
298.27588	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12388	0.7
53.03935	0.7
53.89888	0.6
55.01874	1.4
56.77683	0.8
57.03423	2.1
61.02918	2.5
61.13050	0.6
65.03928	1.7
67.05507	28.4
69.03431	15.5
69.07064	7.2
69.84875	3.1
71.04986	1.0
73.02907	1.6
81.03406	3.7
84.80379	0.6
85.02909	32.6
94.06547	2.2
95.04974	44.9
97.02896	30.3
97.03428	0.4
99.04446	1.6
103.03922	3.9
103.70832	0.8
109.02886	8.3
109.83721	0.6
112.07608	33.9
113.06046	3.3
122.06036	2.1
123.04459	1.4
124.07588	1.8
127.03922	6.3
136.07562	2.4
140.07068	100.0
145.04985	2.7
150.09187	1.1
152.07018	1.2
154.08627	5.0
163.05989	0.9
178.08644	3.1
182.08136	56.5
206.08112	11.9
212.05550	0.6
218.08153	1.9
236.09189	2.2
248.09145	8.0
302.12314	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05192	0.7
53.03937	1.1
54.13868	0.8
54.38642	0.7
55.01873	0.8
55.98143	0.7
57.03428	3.0
59.81549	0.7
61.02926	2.8
63.69136	0.8
65.03933	1.8
66.30107	0.8
67.05506	26.0
69.03092	1.1
69.03436	12.3
69.07066	9.7
69.62186	3.3
69.62611	2.3
70.06575	1.0
73.02905	1.3
81.03421	4.9
81.07070	0.9
83.82214	0.7
84.08129	1.1
85.02912	31.7
86.09719	1.3
93.58083	0.8
94.06538	1.3
95.04974	39.9
97.02287	1.6
97.02896	30.1
98.06061	1.0
98.20758	1.7
99.04443	1.4
103.03944	3.0
109.02840	5.8
112.07612	31.4
112.30112	0.8
113.05997	3.4
122.05997	3.5
123.04454	1.3
124.07596	2.0
127.03924	5.6
134.81952	0.7
136.07555	2.4
140.07071	100.0
145.04956	3.6
152.07005	1.2
154.08652	5.4
178.08626	3.2
182.08144	58.2
192.34752	0.8
206.08128	12.0
218.08083	1.8
236.09306	1.9
238.65994	0.8
239.38103	0.9
248.09148	8.1
252.73842	0.8
266.10202	1.3
274.57056	0.8
299.22940	0.8
302.12244	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	301.2528
Annotation	Allylestrenol
Peak:m/z	Relative Intensity
53.03934	4.3
55.01860	3.1
55.05517	15.5
57.03431	1.9
57.07047	4.2
63.90875	1.3
65.03918	2.5
67.05186	2.2
67.05511	37.0
69.03415	5.3
69.07076	21.0
70.06397	5.8
71.04976	3.5
73.02901	4.3
76.40934	1.3
79.05499	26.2
81.03397	3.2
81.07062	63.9
83.04974	3.7
83.08621	16.2
84.08123	1.6
85.02888	3.9
85.06524	3.5
87.04458	2.2
89.20058	1.7
91.05493	27.7
93.06483	2.8
93.07050	48.7
95.04949	5.2
95.08614	100.0
97.02898	3.7
97.06526	11.6
97.10154	6.2
98.97554	1.8
99.04454	2.5
105.03301	1.6
105.07038	39.8
107.08601	44.7
109.02853	1.7
109.06503	3.0
109.09470	2.3
109.10163	32.3
111.08055	4.0
111.11687	1.7
115.03985	1.5
117.07022	8.4
119.04864	1.8
119.08589	38.5
121.06490	3.3
121.09331	2.7
121.10155	41.4
123.08041	4.1
123.11731	8.9
125.09628	3.6
127.03888	4.1
129.07008	3.6
129.09120	4.3
131.04967	1.5
131.08582	15.8
133.10135	37.6
135.11707	28.9
137.09624	2.5
137.13248	3.9
139.07515	2.4
143.08554	6.5
145.10130	23.0
147.08070	1.6
147.11694	29.5
149.09543	2.0
149.13264	21.6
150.09157	1.5
151.11174	6.4
151.14783	2.4
152.06241	3.0
153.07004	5.2
155.08575	2.4
156.09331	1.6
157.08600	9.5
157.10103	5.2
158.80064	1.6
159.08032	1.8
159.11703	24.2
161.05908	1.5
161.13287	22.1
163.11176	6.3
163.14847	11.6
165.06960	4.8
169.06456	1.7
169.10086	2.7
171.11725	7.9
173.13268	14.5
175.14825	25.0
177.12778	2.8
177.16362	5.2
181.06450	5.5
185.13290	7.4
187.07507	2.5
187.14844	22.5
189.16399	48.2
191.14320	2.7
193.12488	1.6
195.08122	2.9
195.11761	2.7
196.05283	2.4
197.05844	1.7
198.06750	3.5
199.14809	6.1
201.09096	1.6
201.16391	14.2
203.18054	7.2
205.15880	2.8
211.07559	1.9
213.09085	2.4
213.16438	11.5
215.07042	2.4
215.17963	5.4
217.15952	2.3
219.17326	2.3
223.07411	1.8
226.06206	4.9
227.17976	9.3
241.08595	3.6
241.19534	7.9
247.24097	1.7
251.89378	1.8
255.21155	2.7
269.08163	3.5
269.17627	1.9
283.21054	2.5
283.24213	66.1
301.03323	3.6
301.10699	24.1
301.14005	3.2
301.16153	3.1
301.21689	13.7
301.25232	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01878	1.7
55.05513	12.4
57.07058	2.1
63.43618	1.4
65.03918	1.8
67.05171	2.5
67.05506	33.5
69.07077	11.6
69.96762	1.4
70.49716	1.2
71.09940	3.4
79.05495	22.6
81.07059	53.3
83.04958	2.4
83.08614	4.7
85.06512	1.6
91.05478	23.1
93.07046	36.4
95.04986	4.1
95.08611	100.0
97.06535	5.1
97.10149	1.8
105.07039	27.1
107.08601	42.4
109.10161	21.5
117.07001	6.6
119.08590	34.0
121.10139	28.2
123.08081	3.0
123.11727	7.8
125.09653	2.6
129.06940	2.7
131.08577	13.9
133.10146	32.4
135.11688	23.0
137.09615	2.0
137.13268	3.2
143.08543	3.9
145.10127	18.9
147.11694	22.2
149.13251	14.7
150.56857	1.3
151.11201	4.4
151.14751	2.0
157.10139	4.0
159.11707	19.2
161.13261	19.0
163.11211	3.1
163.14807	9.5
171.11668	6.1
173.13295	14.8
175.14821	24.2
177.12779	1.8
177.16394	4.4
185.13300	7.0
187.14803	19.4
189.16396	41.2
199.14838	7.3
201.16422	16.8
203.17941	9.3
205.15958	4.1
213.16348	9.1
215.17986	5.2
217.19437	1.8
219.17470	2.7
227.17946	5.3
229.19324	1.5
230.53693	1.5
231.17465	2.5
241.19597	3.7
243.11562	1.5
255.21202	2.5
258.13998	3.0
269.52924	1.4
280.46762	1.3
283.24225	70.6
286.13449	2.3
301.03284	1.9
301.11575	4.4
301.15817	10.0
301.25256	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2526
Annotation	Allylestrenol
Peak:m/z	Relative Intensity
53.03931	2.2
55.01887	1.6
55.05519	11.3
57.03441	2.3
60.04969	1.6
62.69452	1.5
67.05510	28.8
69.07079	7.7
69.21358	4.8
69.21776	10.8
79.05056	2.2
79.05500	23.1
81.07064	54.8
83.04945	2.6
83.08620	5.9
91.05463	18.3
91.43641	1.5
92.44962	1.5
93.07054	36.2
95.04969	4.9
95.08614	100.0
97.06519	4.9
97.10171	5.4
105.07037	33.4
107.08601	36.7
109.10187	16.5
111.08100	1.9
117.07011	6.8
119.08588	37.5
121.10147	32.0
123.08021	2.0
123.11722	7.2
131.08574	12.1
133.10143	31.6
134.99586	1.9
135.11690	26.7
137.09625	3.6
143.08560	6.4
145.10127	22.7
147.11690	26.9
149.13287	16.2
151.11165	4.4
157.10130	4.1
159.11697	20.3
161.13263	17.4
163.11243	3.3
163.14861	12.9
171.11665	6.6
173.13301	16.3
175.14835	26.9
177.12712	2.8
177.16397	4.9
185.13344	8.2
187.14835	15.8
189.16391	42.0
199.14845	7.0
201.16405	18.9
203.18019	10.8
205.15738	2.7
213.16386	12.9
215.17953	5.6
217.19458	2.6
219.17471	5.4
227.17992	5.9
231.17274	1.9
241.12187	2.9
241.19551	5.6
271.11337	1.9
283.24219	72.6
286.13202	2.4
301.03387	1.9
301.11572	3.0
301.15665	7.9
301.21976	2.7
301.25272	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2525
Annotation	Allylestrenol
Peak:m/z	Relative Intensity
55.05524	9.7
57.07074	1.8
67.05170	2.5
67.05505	29.2
69.07059	7.7
69.36893	9.9
69.37297	2.2
70.92148	1.4
79.05504	15.8
81.07061	45.5
83.08621	4.4
91.05479	16.2
93.07047	34.3
95.08609	74.8
97.06524	4.0
97.10149	4.3
105.06384	2.5
105.07034	30.0
107.08604	29.4
109.10158	22.7
117.07018	6.2
119.08583	33.9
121.10147	21.8
121.10943	2.4
123.11690	7.1
131.08557	12.1
133.10130	28.5
135.11696	25.7
137.09601	1.6
137.13321	1.5
143.08548	4.1
145.10135	16.9
147.11694	24.5
149.13266	18.7
151.11203	7.6
151.14812	1.6
156.09335	1.4
157.10161	5.3
159.11687	21.3
161.13255	20.8
163.11134	3.3
163.14842	9.4
165.12730	1.7
171.11717	5.2
173.13275	19.5
175.14835	23.8
177.16350	2.7
185.13258	5.0
187.14833	19.5
189.16402	31.9
189.18138	2.3
191.18042	1.7
199.14825	6.2
201.16365	13.9
203.17953	8.3
205.15887	2.3
206.65634	1.4
213.16466	11.4
215.17908	4.8
227.17896	9.1
231.17346	1.5
241.19518	4.9
245.19121	1.5
283.24207	100.0
301.25259	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	301.2526
Annotation	Allylestrenol
Peak:m/z	Relative Intensity
55.05515	10.4
58.27066	2.2
67.05512	26.8
69.07064	6.0
73.46467	1.9
79.05482	16.2
80.43357	1.8
81.07065	56.8
83.08627	6.7
91.05493	16.5
93.07055	32.3
95.08616	93.6
97.06539	6.4
97.10147	4.1
105.07037	30.0
107.08604	36.1
109.10146	17.8
114.17370	2.1
117.07031	7.2
119.08601	33.5
119.41467	1.9
121.10155	24.2
123.11708	8.8
131.08563	16.8
133.10141	29.7
135.11710	24.2
143.08580	4.8
145.10135	22.0
147.11702	29.6
149.13258	18.1
151.11192	6.5
157.10184	5.7
159.11728	24.7
161.13252	18.4
163.11212	2.3
163.14812	12.0
171.11691	4.9
173.13272	16.7
175.14844	24.1
185.13307	5.9
187.14838	19.4
189.16406	22.0
199.14851	9.2
201.16408	21.6
203.17996	11.0
205.15822	2.8
213.16356	12.9
215.18013	7.7
217.19595	2.8
227.17958	9.0
231.17537	3.0
241.19591	8.1
243.21117	3.7
283.24219	100.0
301.25293	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	301.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.01877	11.6
55.05510	14.7
56.21719	1.7
57.03240	1.7
57.03438	18.4
61.02932	3.5
67.05505	21.0
69.03439	3.4
69.07072	16.5
70.02028	1.9
71.00003	4.8
71.05000	16.9
72.31726	2.1
77.03898	1.7
79.05493	24.9
80.10331	1.6
81.03419	4.9
81.07055	37.1
83.04981	10.6
83.08622	20.9
85.06538	6.2
91.05482	16.9
93.07047	99.6
95.04977	17.9
95.08607	58.5
97.06540	36.9
97.10167	4.2
99.04461	2.5
99.08067	5.2
101.06050	8.7
105.07025	20.1
107.04955	2.9
107.08591	25.9
109.02857	5.9
109.06500	25.4
109.10151	37.4
111.04417	2.1
111.08078	48.4
113.06008	3.4
113.09649	100.0
117.07016	3.5
119.08588	17.7
121.06507	22.8
121.10136	16.4
123.08071	7.3
123.11716	8.7
125.06007	9.8
125.09637	5.2
127.03883	3.3
127.07531	4.4
127.11195	3.3
129.09117	12.9
131.08565	8.5
133.10138	14.5
135.08023	3.8
135.11678	7.5
137.05983	2.3
137.09618	5.0
137.13271	2.6
139.07547	96.1
141.07207	1.9
143.07043	8.4
143.08565	2.5
145.10175	12.9
147.11670	17.7
149.09569	2.4
149.13264	22.8
151.11212	4.6
153.07065	2.9
153.09213	3.0
157.08612	80.2
157.09944	3.9
159.11726	5.4
161.13263	6.0
163.11151	4.1
165.12759	2.1
169.08676	2.3
173.09538	3.1
173.13283	4.9
175.11182	3.2
177.09180	2.4
177.16371	10.0
185.13312	2.4
187.14845	11.4
189.12672	3.2
191.03445	2.1
191.14351	5.2
195.17451	3.8
201.16380	4.5
203.17984	7.4
205.15932	12.2
209.15401	2.1
210.09076	2.7
211.14819	4.6
217.05070	4.0
221.18967	4.0
223.16930	11.1
227.11760	2.0
229.15958	6.2
234.17506	1.9
239.20168	4.8
241.09879	2.4
241.18015	4.1
245.04442	3.0
247.16954	19.5
255.11418	11.4
265.17966	25.5
273.03934	5.2
280.87631	2.1
283.10678	2.4
283.18982	18.9
301.03479	9.4
301.10983	11.1
301.16574	3.2
301.19794	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	301.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01868	1.4
55.05499	2.0
56.96576	1.5
57.03427	2.3
57.07069	1.4
59.05001	4.3
61.02931	5.2
67.05514	1.4
69.03432	6.8
69.07056	0.8
69.82583	2.6
70.06598	4.1
71.04999	6.4
71.08610	0.6
72.08154	1.8
73.02918	1.4
79.05494	2.2
81.03433	5.3
81.07063	11.5
83.04974	2.4
84.08141	1.6
85.02918	5.6
85.06562	0.7
85.07653	0.7
86.09690	1.6
87.04481	3.9
87.08127	0.8
91.05473	1.6
93.07031	0.9
95.04936	0.9
95.06069	2.9
95.08615	0.8
96.06877	34.6
97.02896	8.2
97.06490	1.0
97.07642	4.0
98.97585	2.9
99.04456	4.1
105.07040	1.1
107.04965	1.0
109.02893	5.7
111.04452	10.6
111.05574	0.7
113.06078	0.8
113.09661	0.6
116.07102	1.1
116.98633	0.8
119.04893	0.8
119.08602	0.8
121.06521	1.1
121.07613	1.0
123.04462	0.9
124.89818	0.6
125.07119	45.7
127.03946	5.4
129.05489	4.4
129.10257	1.4
130.05019	1.1
137.05949	1.3
138.06238	0.7
139.03928	2.9
139.04941	0.9
139.07637	1.0
139.08673	3.3
145.04955	1.2
147.04372	0.9
151.03909	1.5
153.06657	2.1
155.07027	2.3
157.04997	5.4
158.99754	0.7
161.05971	0.6
170.08388	0.5
171.07660	100.0
175.06053	0.8
177.00763	1.0
181.04916	2.8
181.06433	0.8
208.59805	0.6
223.14401	1.2
227.09158	0.8
232.85226	0.5
239.02332	1.0
247.09579	0.6
251.83769	0.6
255.06741	0.9
255.21111	1.1
257.60410	0.6
265.16287	0.8
269.14978	63.9
270.15225	0.6
283.17316	1.3
300.68082	0.8
301.12561	28.3
301.17612	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
55.01860	5.3
55.05515	13.8
57.03444	8.8
57.07070	3.4
59.04989	1.8
61.74478	1.3
65.03933	3.1
67.05183	1.6
67.05507	24.6
69.03418	3.7
69.07073	17.7
69.93791	4.3
71.04987	9.2
71.12692	1.2
72.08138	2.1
79.05498	27.3
81.03406	5.3
81.07059	31.9
81.17712	1.2
83.04991	8.2
83.08616	12.8
85.02917	3.2
85.06525	2.7
91.05482	16.6
93.07041	43.6
95.04980	10.4
95.08613	44.3
97.02879	3.7
97.06533	7.8
97.10172	5.2
99.04443	4.5
103.05447	2.0
105.07034	18.1
107.04956	10.4
107.08598	31.9
109.02893	3.8
109.06523	4.2
109.10154	17.4
111.04434	3.6
111.08086	6.0
113.09652	1.3
117.07023	8.9
119.04912	3.4
119.08572	15.3
121.06518	8.1
121.10171	16.7
123.08044	2.4
123.11681	3.8
125.06024	1.6
125.09606	2.9
127.03857	1.9
128.06314	1.7
128.13226	1.3
129.07004	1.6
131.04837	1.3
131.08562	7.1
133.10138	11.9
135.08052	3.6
135.11699	41.6
137.05986	4.3
137.09648	1.9
137.13248	1.6
138.03709	2.5
139.07567	3.8
139.11227	1.5
141.06956	2.2
142.07790	1.7
142.55345	1.2
143.08563	4.0
145.06487	2.1
145.10139	29.2
145.11278	1.6
145.19946	1.3
147.11668	7.2
149.05966	2.7
149.09641	2.6
149.13260	4.0
151.07541	2.1
151.11131	2.7
151.34088	1.6
152.06227	3.9
153.05891	1.3
153.06970	7.6
153.12743	1.7
155.08569	4.1
157.08589	1.7
157.10126	5.1
159.08070	1.9
159.11719	7.8
161.09625	2.1
161.13235	3.9
163.07498	1.6
163.11183	48.8
165.06969	6.7
166.03221	8.7
167.07198	1.7
167.08557	3.4
168.05804	1.5
169.06427	2.3
170.07344	1.7
171.11688	4.9
173.09616	2.1
173.13271	5.1
175.14877	1.9
177.05479	2.0
181.06508	12.3
181.12210	11.7
182.07315	3.6
183.08052	2.4
185.09682	2.8
185.13261	3.6
187.07555	2.2
187.14769	3.4
191.10634	2.1
195.08069	2.3
195.11771	1.7
197.05974	3.1
198.06754	4.2
199.07599	2.1
199.11102	1.6
199.14815	2.5
201.16324	2.7
209.05894	3.0
209.13359	1.7
211.07533	4.1
211.14981	1.6
213.09064	2.8
213.16505	1.9
215.07135	2.1
217.04997	4.5
225.05486	1.9
226.06203	7.0
227.12784	100.0
229.14287	1.5
241.08510	7.7
241.19614	1.4
245.04457	2.9
255.11395	3.0
255.21095	2.7
269.05878	5.1
269.08337	2.3
269.15640	2.3
273.03928	3.3
283.07489	1.8
283.10675	3.3
283.15414	54.6
283.20245	8.2
283.23633	2.9
301.03595	11.9
301.10794	47.5
301.14240	2.6
301.21637	25.9
301.24887	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	301.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37858	1.0
52.38527	1.0
53.03945	2.4
54.21638	1.1
55.01874	8.9
55.05515	1.4
57.03429	4.6
58.55682	1.3
59.04999	1.6
65.03931	4.8
66.15542	1.1
67.05507	2.6
69.03421	4.5
70.45008	3.8
71.05012	1.8
73.02922	41.0
75.04462	2.5
75.77615	1.2
79.05499	3.7
81.03420	4.6
81.07061	2.1
83.04996	1.8
84.04486	1.2
85.02900	4.5
85.06522	1.6
86.09689	1.5
87.04462	2.9
91.05481	5.5
93.03402	3.0
93.07047	2.5
95.04974	10.0
95.08617	1.6
97.02900	6.8
97.06542	3.4
98.21437	1.2
99.04432	2.5
107.04964	1.9
107.08569	1.1
107.29609	1.3
109.02876	4.6
109.06496	1.2
110.03665	2.3
111.04455	11.3
117.82001	1.2
119.04893	1.6
119.08627	1.8
121.06479	2.6
121.10126	2.7
123.04435	15.8
125.02330	3.4
125.05989	3.3
125.44756	1.1
127.03921	5.8
129.05476	2.4
133.10104	2.1
137.05986	1.6
138.03093	1.4
139.03885	3.2
140.04695	70.1
142.02608	2.0
145.04930	1.3
147.06522	4.8
147.11609	1.4
149.06053	1.5
151.03882	1.7
152.06223	2.8
153.05498	4.2
153.06958	3.2
155.07042	100.0
157.05013	6.8
160.33069	1.4
165.06934	1.1
166.03244	1.6
167.07086	2.7
167.10757	1.2
169.06450	1.4
171.06548	2.1
173.08093	4.0
179.07030	2.8
181.04979	91.5
181.06410	3.6
181.08502	4.4
198.06790	2.9
209.06204	1.3
209.08102	20.0
213.09100	2.8
226.06198	1.8
227.09164	67.4
241.08667	1.8
255.11221	3.6
269.08163	1.3
270.09937	1.7
283.10623	1.3
301.10672	9.6
301.12717	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	301.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01860	2.6
55.05510	6.2
57.03428	2.7
58.02938	0.8
58.99590	1.3
59.42206	1.0
59.72271	0.9
64.02887	0.9
65.03941	1.1
65.86951	0.9
66.24976	0.9
67.05506	12.1
69.07069	5.8
71.04977	1.9
71.56062	1.5
75.65993	1.1
79.05122	1.1
79.05504	11.8
80.05018	3.9
81.03421	1.3
81.07067	11.5
82.02971	1.7
82.06559	1.1
82.99584	6.4
82.99992	1.1
83.04980	2.7
83.08610	3.8
84.97461	1.1
85.01157	1.2
85.06548	1.3
91.05474	7.8
93.07048	13.4
94.06560	2.2
95.04969	3.0
95.08614	16.1
96.08930	1.2
97.01115	4.7
97.02885	2.3
97.06521	3.5
97.10167	1.5
99.02675	1.1
99.04478	2.2
104.04988	2.6
105.05747	3.7
105.07022	7.5
106.06532	2.7
107.04965	4.2
107.07325	2.7
107.08605	12.7
109.02917	1.1
109.06517	1.7
109.10172	5.9
110.06017	1.4
111.02696	7.9
111.04438	1.9
111.08110	2.3
112.02189	2.8
115.10166	0.9
117.07018	4.6
119.04940	1.1
119.08591	7.0
120.04457	1.3
121.01033	1.1
121.06504	3.3
121.10183	8.2
123.02696	4.7
123.11754	1.7
124.02184	11.7
125.00563	1.9
125.09608	1.3
129.05450	0.9
131.04918	1.1
131.08572	3.7
133.05244	2.8
133.10138	5.8
135.08046	1.5
135.11693	15.6
136.02130	1.3
137.05951	1.8
138.03735	34.7
139.02101	2.4
139.04417	1.1
139.07558	1.1
140.05322	11.8
142.07817	1.0
143.08521	1.1
145.06526	1.1
145.10135	8.6
147.11714	2.2
148.02177	1.5
149.09691	1.2
149.13249	2.3
150.03711	4.2
151.02112	1.8
153.07043	2.0
155.08482	1.3
157.10068	1.7
159.11694	3.3
161.09596	1.3
161.13232	3.1
163.11205	16.2
166.03233	100.0
166.69279	1.1
167.04010	1.0
168.03514	1.7
168.04802	17.3
171.11594	1.4
173.09634	1.6
173.13258	2.7
175.14897	1.7
181.06464	3.5
181.12212	2.6
182.06339	3.6
183.08009	1.4
185.09520	1.4
189.05569	1.2
194.02736	13.8
195.07826	2.8
198.05797	13.6
199.14902	1.9
202.08975	1.4
212.03784	2.8
213.16234	1.4
217.04982	1.2
223.05347	23.6
223.07243	5.8
226.06190	1.7
227.07011	1.2
227.12796	34.2
241.06410	4.9
241.08710	2.2
255.07967	1.9
255.21010	1.8
269.05911	96.1
273.03894	1.4
283.07526	14.8
283.15433	14.2
283.20630	1.4
283.24112	2.5
287.06937	3.1
290.17413	1.0
301.03293	2.6
301.08215	28.9
301.11124	7.4
301.14359	1.4
301.16937	1.3
301.21582	8.5
301.25244	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	301.0085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96331	0.6
56.96571	6.0
69.38663	2.1
69.39089	1.3
71.95255	1.9
98.97590	100.0
99.97915	5.0
102.96856	0.4
116.98629	35.9
117.98981	1.9
128.52400	0.4
134.99667	7.9
136.00032	0.7
140.00246	1.2
174.97739	0.6
179.48445	0.4
189.07884	0.6
189.30049	0.4
194.91295	0.8
198.97688	0.4
212.92342	1.0
216.98801	1.2
219.02061	1.6
221.01869	1.5
224.01399	0.4
230.93547	0.6
234.96356	0.6
240.98738	2.8
241.98772	2.3
244.45476	0.4
254.93381	3.3
258.99780	34.9
259.99945	29.0
260.99789	1.0
261.03088	0.8
272.94397	5.6
277.00830	36.3
277.97797	1.4
278.00977	31.6
278.96906	0.8
279.00983	0.9
282.01547	0.7
282.99765	4.1
290.95425	2.0
295.96042	1.5
295.98843	0.7
300.97620	1.8
301.01202	3.5
301.09583	4.4
301.20670	0.5
318.98553	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	300.163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
55.05517	11.6
57.03437	1.5
57.07067	2.4
58.99578	5.4
61.25186	1.5
67.05509	74.7
67.10680	1.3
69.03414	5.0
69.07066	12.1
71.04984	4.3
71.55369	2.1
72.08144	3.8
74.44546	1.6
75.11337	1.5
75.67680	1.3
76.02232	10.8
79.05508	14.5
81.03394	1.4
81.07063	52.3
82.07387	2.5
83.08620	4.7
85.99885	1.4
86.99055	5.4
87.02679	2.9
89.62878	1.4
91.05475	7.9
93.07042	18.0
95.04969	5.9
95.08613	100.0
105.00112	5.6
105.07023	11.1
107.08611	11.0
109.06547	5.0
109.10165	76.7
110.10522	1.7
117.07102	1.9
119.08598	15.1
121.10132	5.3
122.02730	50.7
123.08067	6.6
133.10109	5.7
134.10451	1.9
135.11670	3.3
137.09607	8.6
145.10185	2.4
146.10443	2.0
149.01466	1.6
150.13571	2.3
151.14830	62.8
157.56856	1.5
158.10423	1.6
159.04720	1.9
159.11700	2.5
161.13251	13.5
179.14323	67.7
186.13683	2.2
202.08913	3.2
226.16856	2.2
240.18144	1.5
264.41733	1.8
282.22977	10.4
300.23935	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	299.2368
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
53.03948	1.2
55.01856	0.6
55.05511	6.6
56.10776	0.5
57.07082	0.9
61.13256	0.5
65.03962	0.8
67.05507	17.2
69.03432	1.3
69.07069	6.9
71.28331	0.6
79.05496	19.6
81.07058	31.2
83.04983	3.6
83.08614	4.7
85.06540	1.0
91.05483	13.5
93.07046	31.6
95.04942	0.6
95.08607	19.6
97.06522	1.1
97.10174	2.0
105.07030	19.4
107.08596	32.1
109.06512	1.4
109.10158	28.4
111.08087	2.0
117.07008	4.7
119.08583	19.2
119.79051	0.5
121.10148	15.1
123.08086	1.8
123.11710	8.2
129.06961	3.0
131.08574	7.7
133.10138	19.0
135.08072	11.0
135.11694	79.8
137.09615	5.0
137.13243	1.2
142.07806	1.1
143.08577	4.6
145.10135	11.2
147.11699	21.9
149.09607	1.7
149.13271	7.1
151.11159	3.2
155.08510	0.9
157.10121	5.4
159.11694	15.1
161.09651	1.2
161.13263	29.2
163.11197	4.7
163.14862	2.9
165.12802	1.8
169.10181	1.5
169.47919	0.6
171.11691	5.9
173.13287	8.6
175.11252	1.4
175.14853	4.0
177.12770	6.8
177.16328	1.1
183.11635	1.3
185.13284	5.1
187.14838	4.9
189.12766	5.6
189.14342	0.6
189.14890	0.8
189.16327	5.1
191.14383	5.2
197.13274	3.0
199.14815	8.6
201.16388	3.5
203.14291	3.4
211.14856	4.6
213.16438	1.9
215.17920	4.2
217.15875	10.3
225.16391	4.5
227.17953	20.8
229.15779	0.7
238.32137	0.6
239.18025	1.5
241.19604	1.4
243.17438	2.5
253.19627	1.6
257.22650	1.5
271.24246	1.0
281.19940	0.4
281.22644	22.8
299.23694	100.0
300.24130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2371
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
53.03944	1.8
55.05515	9.3
57.03465	0.6
57.07064	1.7
58.16160	0.6
59.27028	0.7
60.29213	0.7
67.05511	19.6
67.05874	1.1
69.03424	3.6
69.06725	0.9
69.07072	11.6
70.17133	2.8
71.04958	0.8
79.05062	1.4
79.05501	19.0
80.02386	0.6
81.03412	1.1
81.07063	44.3
83.04996	3.7
83.08627	10.0
83.93412	0.8
85.06554	2.0
91.04899	0.8
91.05484	18.4
93.07053	30.8
93.21038	0.7
95.04964	2.1
95.08615	29.7
97.06539	2.4
97.10193	3.6
98.21452	0.9
99.08089	0.8
105.07042	32.4
107.08604	35.3
109.06525	2.6
109.10163	23.1
111.08093	4.5
111.11721	2.7
117.07021	5.1
119.08591	28.2
121.06500	2.0
121.09322	1.3
121.10159	24.8
121.11032	1.3
123.08095	3.8
123.11737	5.6
125.09632	1.2
128.06235	1.2
129.07002	5.1
130.07721	0.8
131.08578	13.9
133.10143	25.5
133.37183	0.6
135.08070	16.7
135.11705	51.1
137.09639	8.2
137.13268	5.5
141.07022	1.5
142.07779	2.0
143.08585	6.6
144.09299	1.0
145.10141	15.6
147.11696	24.1
149.09677	3.3
149.13277	11.0
151.11185	3.2
155.08577	2.5
157.10150	14.4
158.10893	0.8
159.11697	21.6
161.09641	2.0
161.13264	27.5
163.11214	6.1
163.14833	7.3
165.12785	1.3
169.10129	2.9
171.11673	8.2
173.09555	0.7
173.13280	7.9
175.11246	3.2
175.14827	8.5
177.12733	7.1
177.16388	3.0
179.14304	3.2
183.11700	2.9
185.13298	8.3
187.14838	7.7
189.12753	5.4
189.16383	8.8
191.14343	3.7
195.11745	0.8
197.13271	4.3
198.14064	1.0
199.14825	8.4
201.16402	5.4
203.14325	4.8
203.18114	0.8
205.15875	3.1
211.14815	4.7
213.16403	2.8
215.14368	0.9
215.17978	11.8
217.15921	9.2
225.16409	6.9
226.17213	0.8
227.17973	27.4
239.17993	2.2
241.19525	1.5
243.17445	3.0
253.19456	2.2
255.21138	1.3
257.22678	1.9
266.20416	1.0
271.21246	0.7
271.24274	2.5
281.22653	44.4
299.23697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.237
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
52.95201	1.0
53.03928	1.9
55.01861	1.6
55.05306	0.7
55.05509	8.2
55.05917	0.9
56.96546	1.2
57.03419	1.0
57.07059	3.9
60.66699	1.0
65.03945	1.1
67.05173	1.4
67.05505	19.2
67.17162	1.0
69.03405	2.7
69.07067	9.4
69.45306	2.4
69.45703	5.8
70.06596	1.2
71.04971	2.3
79.05496	13.1
81.03423	1.4
81.06586	2.0
81.07056	37.3
83.04977	2.0
83.08593	4.3
85.02882	1.2
85.06528	1.3
91.05477	16.7
93.06470	1.6
93.07043	23.2
95.04947	1.6
95.08607	33.9
97.06515	3.2
97.10160	3.6
98.97562	1.2
99.04427	1.3
103.05475	1.3
105.07028	32.8
107.04941	2.8
107.08596	26.8
109.06532	2.7
109.10164	18.5
115.05440	1.8
117.07045	6.8
119.08578	29.7
121.06480	3.3
121.10152	20.1
123.04401	1.3
123.08060	5.6
123.11714	7.7
125.09637	1.1
128.06236	1.8
128.98610	1.2
129.07008	5.8
130.07744	1.4
131.08572	21.2
133.06499	1.0
133.10135	20.4
133.11115	2.1
135.08047	2.3
135.11699	15.7
137.09589	2.1
137.13255	2.3
141.06950	3.1
142.07753	2.4
143.08565	10.8
144.09308	1.4
145.10133	20.2
147.07994	1.7
147.11694	15.7
149.09573	4.4
149.13239	9.6
151.11182	1.9
152.70442	1.1
155.08545	5.0
156.09270	1.5
157.08923	1.8
157.10118	16.0
159.08000	1.3
159.11693	15.3
161.09592	3.8
161.13252	10.2
163.11151	3.1
163.14813	4.6
165.12624	1.0
167.08643	1.0
169.10172	7.4
171.11682	11.9
173.09598	2.3
173.13271	10.7
175.11191	4.2
175.14809	9.2
177.12740	2.5
177.16354	3.3
183.11659	7.6
185.13255	10.4
187.14789	6.8
189.12779	2.3
189.16376	14.2
191.14371	1.2
195.11676	2.2
197.13275	8.0
199.14827	8.4
201.12695	1.6
201.16327	4.4
203.14278	4.1
203.17810	1.3
203.45615	0.9
209.13222	1.5
210.10327	1.4
210.14023	1.2
211.14815	10.1
213.12817	0.9
213.16344	6.0
215.14507	2.0
215.18005	1.9
217.15837	2.5
219.17358	2.0
225.12711	4.0
225.16360	9.6
227.17947	6.0
229.15892	3.9
229.19484	5.2
239.17981	6.3
241.19450	7.1
243.17387	2.9
253.19472	4.7
255.21185	1.5
271.24219	2.6
281.19031	4.7
281.22595	43.4
295.84644	1.0
299.09366	1.7
299.20120	10.5
299.23645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.237
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
52.43244	0.8
53.03938	2.4
55.01855	2.0
55.05510	9.6
57.03421	2.1
57.07064	4.1
64.28891	0.8
65.03925	1.5
67.05508	17.2
69.03423	2.1
69.07067	13.1
71.04971	3.2
71.08607	2.3
71.55949	1.1
71.56370	1.0
74.75029	0.8
79.05064	1.3
79.05494	16.5
81.03407	2.5
81.07059	41.0
83.04965	2.6
83.08627	7.3
85.06532	2.9
86.06039	1.0
87.04471	1.8
91.05494	13.9
93.06489	1.6
93.07050	26.2
95.04957	4.2
95.08612	38.2
97.02927	1.2
97.06516	2.4
97.10178	5.5
99.04467	0.9
99.08022	0.8
105.07034	24.9
107.04984	6.2
107.08597	23.1
109.02812	1.3
109.06540	4.2
109.10159	20.7
111.08071	2.0
111.11720	1.2
113.05983	1.1
115.03821	0.9
115.05445	1.7
117.07014	4.5
119.07802	1.7
119.08592	21.8
121.06468	1.6
121.10142	17.7
123.08067	4.4
123.11736	9.0
125.09610	1.8
128.06242	1.6
129.07031	4.5
131.08583	13.7
133.06383	1.2
133.10139	19.7
135.08055	3.0
135.11705	12.0
137.05969	1.6
137.09619	3.2
137.13240	3.7
139.11197	1.1
141.05478	1.5
141.06947	1.7
142.07744	1.8
143.08553	8.8
144.09367	1.1
145.06508	0.9
145.10121	12.6
147.08066	1.4
147.11687	12.3
149.09604	4.1
149.13242	8.4
151.11188	1.9
151.14873	1.2
155.08557	5.1
157.10136	10.8
158.36069	1.0
159.11693	14.0
161.09579	3.5
161.13252	7.5
163.11189	3.4
163.14783	4.5
165.09148	1.4
165.12793	1.5
169.10130	5.6
171.11691	10.0
173.13269	11.4
175.07498	1.2
175.11218	2.9
175.14824	10.1
177.09233	1.1
177.12813	1.7
181.06505	1.1
183.11696	7.1
185.13234	8.2
187.14772	8.3
189.12682	2.4
189.16374	10.3
195.11752	1.3
196.05247	0.9
196.12598	1.3
197.13289	6.3
199.14847	9.9
201.12593	1.1
201.16409	7.2
203.14279	2.8
203.17906	1.2
211.07549	0.9
211.14848	7.7
213.12866	1.1
213.16370	5.1
215.14322	2.1
215.17897	2.1
217.15865	2.4
217.19461	1.1
223.14966	1.2
225.16351	7.2
227.17984	2.8
229.15900	2.2
229.19489	2.1
239.17960	7.7
240.18854	1.1
241.19493	4.6
243.17387	1.6
245.22638	3.3
251.17909	1.1
253.19527	3.6
263.16260	1.1
263.23624	1.9
267.15994	1.7
271.24207	2.0
281.22659	54.4
299.06082	1.1
299.09213	4.5
299.12601	1.9
299.20166	6.6
299.23666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36817	1.1
53.03946	1.8
55.05513	9.5
56.34774	1.3
57.07070	1.5
58.49248	1.0
67.05506	18.2
69.03427	2.4
69.07069	9.2
71.08636	1.4
71.56464	1.4
73.38955	1.0
79.05498	14.8
81.07059	30.3
83.04982	5.7
83.08619	9.7
85.06551	2.0
91.05489	15.7
93.07048	26.0
95.04965	2.7
95.08055	1.9
95.08617	25.7
97.06552	1.7
97.10152	3.6
98.98486	1.2
105.06380	2.0
105.07040	23.8
107.08604	28.5
109.06520	2.8
109.10162	22.6
111.08070	3.4
117.07018	5.8
119.08581	23.2
121.06564	1.9
121.10152	21.9
123.08097	2.5
123.11734	7.4
129.07007	3.0
131.08589	10.3
131.33179	1.1
133.10141	19.7
135.08073	16.4
135.11697	56.6
137.09593	5.1
137.13258	5.3
141.06978	1.8
142.07788	1.9
143.08583	5.7
145.10121	12.4
147.10643	2.0
147.11705	22.1
149.09610	5.1
149.13306	9.3
151.11179	5.0
155.08540	1.6
157.10150	10.5
159.11696	20.7
160.61827	1.1
161.09633	1.8
161.13272	25.0
163.11172	5.7
163.14879	6.0
169.10153	4.1
171.11703	9.2
173.13277	9.3
175.11151	3.2
175.14827	6.2
177.12718	7.9
179.14317	3.1
183.11685	3.1
185.13223	7.5
187.14853	7.0
189.12740	5.0
189.16399	8.0
191.14351	3.1
197.13298	3.8
199.14828	9.0
201.16411	6.4
203.14291	3.1
205.15804	1.9
211.14835	6.4
213.16455	1.8
215.17976	7.8
217.15886	10.5
225.16429	3.8
227.17944	25.4
239.17964	2.8
241.19614	1.8
243.17435	4.0
253.19341	1.3
271.24060	1.6
281.22647	32.5
299.10483	1.4
299.14346	2.7
299.20355	4.4
299.23672	100.0
300.23904	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.237
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
53.03956	1.2
55.05509	6.5
57.07066	0.6
61.05238	0.6
65.03934	0.8
67.05508	17.8
69.03426	0.7
69.07078	5.2
77.03912	0.6
79.05497	18.9
79.97063	0.5
81.07061	28.9
83.04991	2.8
83.08627	4.8
85.06524	0.6
87.61162	0.4
91.05485	12.6
93.07050	29.5
95.04958	0.8
95.08613	18.6
97.06504	0.5
97.10173	2.2
97.24610	0.5
104.49827	0.5
105.07037	19.2
107.04977	0.7
107.05753	0.4
107.08601	31.2
109.06507	1.5
109.10162	28.1
111.08096	3.1
117.07031	3.6
119.06116	0.5
119.08592	19.1
119.33537	0.5
121.06544	0.8
121.10153	14.6
123.08093	2.4
123.11716	8.2
125.09600	0.7
129.07024	2.2
131.08574	7.4
133.10141	16.0
135.08076	11.4
135.11700	76.2
137.09627	5.2
137.13269	1.1
142.07774	0.6
143.08566	4.3
144.09393	0.6
145.10129	10.4
147.08043	0.6
147.11691	18.5
149.09584	2.2
149.13261	6.9
151.11185	3.0
155.08556	1.4
157.10162	5.0
159.10440	1.0
159.11703	14.3
161.09621	0.7
161.13268	26.8
163.11176	4.5
163.14833	2.9
165.12776	1.2
169.10150	1.4
171.11676	4.8
173.13258	8.2
175.11235	1.6
175.14799	3.6
177.12756	6.3
177.16434	0.7
183.11743	1.4
185.13255	5.0
187.14821	4.2
189.12769	3.9
189.16391	4.7
191.14284	5.3
197.13229	2.2
199.14844	8.0
201.12961	0.7
201.16417	3.1
203.14316	3.0
205.15865	1.0
211.14830	3.9
213.16402	2.1
215.17963	4.3
217.15891	10.5
219.17535	0.5
225.16396	5.0
227.15704	1.1
227.17961	21.1
229.15903	0.8
231.17538	0.7
239.17963	1.1
241.19527	0.9
243.17447	2.3
243.21161	0.5
253.19490	1.2
255.12032	0.5
257.22702	1.5
271.24304	1.2
281.22665	24.6
299.23703	100.0
300.24051	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2369
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
51.02348	0.6
53.03943	0.8
55.05513	7.3
57.03436	0.7
57.07075	1.0
59.74329	0.5
62.84762	0.5
64.49419	0.6
67.05508	15.6
69.03451	0.9
69.07074	7.9
77.03930	0.7
79.05495	18.4
81.07063	29.6
83.04983	4.5
83.08625	5.5
90.62944	0.6
91.05483	15.1
93.07050	29.6
95.04924	1.1
95.08611	30.6
97.06508	1.4
97.10176	2.0
98.20714	1.3
105.06316	0.6
105.07035	21.2
107.08604	29.5
109.06519	1.6
109.10162	20.1
111.08107	3.2
117.07032	3.8
119.08591	28.4
121.06480	0.8
121.10151	29.8
123.08061	3.5
123.11700	6.8
128.06111	0.6
129.07002	2.9
131.08574	9.1
133.10141	18.0
135.08066	16.1
135.11699	71.7
137.09621	8.5
137.13252	9.4
142.07855	0.8
143.08551	5.0
144.09338	0.7
145.10129	13.0
147.11697	29.8
149.09647	5.0
149.13261	9.7
151.11197	4.6
155.08568	1.8
157.10149	7.6
159.11703	19.6
159.13023	0.9
161.09636	2.4
161.13260	36.0
163.11185	6.5
163.14864	5.1
165.12740	1.3
169.10159	2.1
171.11714	7.3
173.13264	7.5
175.11176	2.0
175.14870	5.5
177.12761	8.3
177.16405	1.0
179.14334	6.8
183.11679	2.6
184.12572	0.6
185.13266	9.0
187.14839	5.4
189.12781	6.5
189.14319	0.7
189.14635	0.6
189.16376	7.3
191.14307	4.0
197.13300	3.1
198.14095	1.1
199.14845	11.2
201.16371	4.5
203.14371	4.7
205.15895	3.7
211.14812	7.1
213.16391	2.4
215.17924	5.1
217.15887	9.6
225.16429	5.6
227.17966	42.1
229.15956	0.7
239.17934	2.4
241.19551	1.7
243.17450	2.2
243.21201	0.7
253.19594	2.3
255.21152	0.9
257.19357	0.8
257.22681	2.0
271.24188	1.5
281.22659	32.9
299.23706	100.0
300.23978	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
55.05511	6.4
67.05506	11.3
69.07066	5.2
69.85217	4.4
79.05502	10.5
81.06579	1.9
81.07055	28.8
83.04973	1.2
83.08607	2.9
91.05477	14.2
93.07047	24.6
95.08607	39.3
97.06514	2.0
97.10158	3.6
105.07031	27.9
107.08598	21.3
109.06489	1.8
109.10150	17.9
117.07013	5.7
119.08583	24.3
121.06509	1.5
121.10146	22.7
123.08059	4.2
123.11698	5.9
128.06178	1.8
129.07004	4.6
131.08582	16.0
133.10129	18.2
134.15253	1.1
135.08055	1.5
135.11685	12.5
137.09631	1.9
137.13234	3.1
141.06985	2.5
142.07726	1.4
143.08572	9.5
145.10118	13.3
147.11665	12.9
149.09653	5.9
149.13258	9.0
151.11217	1.5
155.08569	4.1
157.10161	10.6
159.11693	14.6
161.09595	3.2
161.13248	9.7
163.11115	2.1
163.14828	6.8
169.10124	5.5
171.11707	10.1
173.13287	10.8
175.11183	3.9
175.14813	13.4
176.53195	1.1
177.12755	2.4
177.16399	2.8
183.11679	4.6
185.13226	8.2
187.14844	8.0
189.12689	2.1
189.16374	17.3
197.13223	6.8
199.14809	6.2
201.16394	4.5
203.14301	3.9
211.14809	6.8
213.16339	3.1
215.14413	1.6
215.17943	1.6
217.15865	1.4
219.17471	1.5
225.16399	8.2
227.17889	5.3
229.15894	4.5
229.19550	6.0
231.17302	1.1
239.17969	5.7
241.19527	7.8
243.17462	1.8
253.19514	4.3
257.19107	1.5
271.20807	1.1
271.24075	2.1
281.22614	39.6
299.23688	100.0
324.77921	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	10.5
53.03932	6.0
55.01864	7.4
55.05275	2.6
55.05516	38.3
57.03444	26.0
57.07062	7.8
59.04987	5.5
67.05221	2.6
67.05508	29.0
67.35659	2.6
69.03456	3.7
69.07053	9.8
69.21223	2.7
71.01363	3.9
71.04996	5.0
71.08625	3.5
71.55917	2.7
71.56305	4.5
77.99701	3.0
79.05489	17.5
81.03414	6.4
81.07053	44.4
83.04964	6.8
83.05459	2.2
83.08628	27.4
85.06535	6.1
86.36242	2.6
91.05483	37.2
93.07055	28.3
95.04964	9.4
95.08637	16.0
97.02859	5.4
97.06523	10.8
97.10184	4.1
99.00819	36.3
99.08089	3.8
103.05436	3.0
105.07043	33.4
107.04936	11.6
107.08601	22.9
109.02884	19.9
109.06506	3.1
109.10203	13.7
111.04409	4.3
111.08054	5.5
111.31705	2.4
115.03941	6.0
115.05466	4.2
117.07030	9.0
119.08581	19.9
121.06493	9.8
121.10158	7.2
123.04423	3.5
123.08047	2.8
123.11697	8.9
123.46461	3.4
125.09660	2.6
127.03915	3.7
131.08586	5.1
133.10135	70.7
135.11647	4.0
139.07555	5.8
143.08569	5.8
145.10165	5.4
147.08032	3.3
147.11665	2.8
151.11154	24.3
157.10153	5.6
159.11726	4.2
161.09608	31.8
161.13243	3.8
163.11180	2.9
165.09215	4.2
171.08073	5.8
177.12718	2.7
179.10681	29.8
189.09116	28.9
189.16406	3.6
197.11737	11.7
207.10152	9.5
225.11214	40.6
225.16281	3.2
243.12202	7.2
279.25790	3.0
281.22552	4.5
299.14905	100.0
299.20209	6.0
299.23367	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	299.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88713	6.7
55.01884	14.4
55.05513	31.3
57.03432	20.5
57.07057	7.5
65.03963	6.6
67.05508	44.2
69.03431	17.2
69.07077	34.1
69.29665	10.9
69.30072	42.4
70.06593	6.9
71.05003	35.0
79.05507	41.6
81.03432	13.2
81.07062	93.6
83.04982	26.3
83.08599	17.6
85.02900	12.1
85.06561	36.2
91.05490	43.8
93.07049	95.5
94.24717	6.0
95.04992	39.1
95.08613	69.1
97.02879	8.4
97.06557	34.7
97.10179	9.7
99.04454	17.7
105.07034	87.3
107.04944	13.8
107.08601	100.0
109.02890	8.0
109.06526	40.2
109.10165	28.3
111.04444	7.2
111.08083	14.8
113.06004	8.6
115.05476	6.5
117.07037	15.2
118.06534	6.6
119.04947	14.7
119.08601	50.5
121.02906	11.5
121.06503	26.1
121.10155	62.5
123.08048	18.6
123.11748	15.0
125.06003	34.7
125.09617	9.7
127.03944	9.4
127.07548	11.0
129.07022	9.5
131.08600	32.0
131.09404	5.6
133.10152	36.3
135.08084	17.8
135.11711	12.8
137.05989	25.6
139.07539	9.1
139.11194	42.3
143.07054	34.9
143.08572	23.2
145.10124	57.2
146.03639	7.5
147.04414	13.7
147.08020	8.3
147.11708	79.5
149.05980	10.9
149.09616	22.6
151.07483	13.7
151.11185	9.5
153.09085	15.0
155.07013	7.3
157.08865	6.1
157.10124	22.9
159.06615	6.3
159.07941	7.6
159.11707	25.7
161.06032	16.3
161.09639	14.6
161.13281	34.2
163.11188	97.7
165.12645	6.5
167.10670	34.1
168.05731	7.1
171.11757	8.4
172.67982	6.2
175.03918	23.3
175.07536	8.1
175.14909	31.9
179.10751	8.0
183.08054	6.4
185.13301	34.2
187.11201	8.1
189.12733	12.0
191.10580	10.2
192.04134	7.7
195.07932	8.5
199.14819	24.2
201.16411	7.6
203.14325	47.8
205.12321	6.5
207.06450	42.9
207.13802	12.5
209.11711	13.3
211.07433	7.9
217.15935	12.9
221.15453	42.0
223.07661	8.5
224.08362	9.8
227.14279	14.4
236.08302	8.6
239.10727	24.6
245.15369	64.2
253.08604	29.3
263.16461	93.1
267.10214	75.3
268.11029	30.5
272.95676	5.9
281.17477	88.8
284.10495	8.8
299.05768	12.8
299.09293	34.6
299.12946	67.1
299.18677	12.2
308.68350	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2742
Annotation	Cassine
Peak:m/z	Relative Intensity
53.03935	1.3
55.05269	0.8
55.05512	11.2
56.04791	0.5
56.05038	6.3
57.03464	0.7
57.07077	3.6
58.02953	2.5
60.04507	2.2
65.03933	0.6
67.05511	16.1
67.13288	0.5
68.05013	2.0
69.06732	0.8
69.07072	11.0
71.08617	1.5
72.04507	1.1
76.35818	0.5
79.05069	1.0
79.05497	11.8
80.05014	1.7
81.06590	0.7
81.07063	13.3
82.06584	7.3
83.04972	1.0
83.08626	5.6
84.08131	0.7
85.10184	0.8
86.06069	2.4
91.05486	6.5
93.07051	6.7
94.06593	3.1
95.04963	1.8
95.07343	0.6
95.08614	11.7
96.08128	2.6
97.06522	0.7
97.10177	2.5
98.06060	1.4
98.21526	1.1
100.07600	1.7
105.07023	3.0
106.06506	0.6
107.08610	3.0
108.08158	1.0
109.10153	3.6
111.11703	0.5
112.07642	0.5
114.09190	0.5
119.08588	3.1
121.10167	3.5
122.09653	1.2
133.10106	1.9
135.11664	2.0
137.13239	0.6
147.11699	1.4
151.14900	0.6
176.62337	0.5
191.17880	0.5
198.21841	0.5
217.69972	0.5
233.22644	0.5
245.22739	0.7
250.25316	6.8
262.25333	3.4
263.23819	0.7
280.26367	100.0
281.26639	0.8
283.17264	0.5
296.01990	0.5
297.28815	0.6
298.13107	1.1
298.27420	1.2
316.37476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	8.3
70.26694	2.1
71.95255	1.6
98.21020	1.6
98.97587	100.0
110.26390	0.7
114.40602	0.7
114.76185	0.7
116.98624	30.4
117.10799	0.7
117.77011	0.6
130.93307	1.4
134.99686	6.1
163.81299	0.8
172.94363	5.2
190.95421	2.4
214.95476	2.4
216.98740	0.9
232.96387	3.7
250.97473	1.1
256.96417	17.7
256.98837	1.2
274.97507	74.6
292.98563	34.7
297.99017	1.7
308.68085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0969
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
55.01861	0.2
55.05491	0.5
55.33791	0.1
57.03436	0.3
61.01154	4.7
69.03436	0.7
70.06590	0.3
70.54264	0.6
75.02705	2.0
79.05529	0.2
81.03418	0.4
83.08603	0.4
84.04489	0.2
85.02901	1.0
87.04425	0.3
91.05448	0.2
93.07027	0.2
95.08549	0.2
97.02904	1.8
101.09660	0.3
103.02174	0.4
108.04475	0.9
109.02865	0.6
111.04424	0.3
115.97765	0.1
118.06551	0.2
119.03575	0.7
120.04457	1.0
123.04449	0.2
129.85197	0.2
132.08092	0.3
136.06186	100.0
137.04581	0.3
139.03909	0.2
140.07068	0.3
145.03185	1.7
146.06055	1.0
154.08653	0.9
160.07582	1.0
163.04228	1.3
166.08723	0.2
168.06555	1.1
172.09697	0.9
202.08711	0.2
238.10880	0.2
254.13924	0.5
280.11984	0.5
298.09714	5.6
298.12906	1.6
298.16617	0.6
298.19824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2425
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
52.93375	1.5
53.03933	1.8
55.01869	6.3
55.05515	49.6
55.07497	1.5
57.03419	4.8
57.07076	8.0
57.83410	1.4
59.04978	2.9
64.56113	1.5
67.05509	65.7
69.03421	6.8
69.07072	54.2
69.27798	14.0
71.04970	4.8
71.08618	5.0
79.05495	30.1
81.07061	78.5
83.04974	6.0
83.08623	33.9
85.06552	7.8
91.05488	10.7
93.07057	30.3
95.08612	62.8
97.06520	12.3
97.10178	45.2
99.08065	3.3
105.07040	8.1
107.08600	30.3
109.06504	2.3
109.09465	2.9
109.10165	46.5
111.08054	4.2
111.11716	4.3
113.09647	3.0
117.07001	4.5
119.08603	7.8
121.06424	1.6
121.10139	16.7
123.08112	2.0
123.11711	16.3
125.09647	31.5
127.11211	1.7
129.07022	1.6
131.08560	7.5
133.10161	7.8
135.08069	3.6
135.11691	26.1
137.09608	2.2
137.13277	15.7
141.09105	1.5
143.10625	2.0
145.10120	5.0
147.11678	8.2
149.09724	1.6
149.13226	7.9
151.14809	4.4
153.09102	5.1
153.12749	9.0
155.10652	1.7
157.10205	1.5
159.11688	6.1
161.13266	4.6
163.11206	1.5
163.14853	6.3
165.12822	2.9
165.16365	1.5
169.12289	1.8
169.15958	1.8
171.10178	3.2
173.11719	4.4
173.13251	7.0
175.14861	3.5
177.12750	1.8
177.16414	2.8
179.14337	3.1
181.12222	3.3
183.13820	11.4
187.13376	2.2
187.14835	7.7
189.11247	26.7
201.16470	2.6
209.15376	4.8
223.16985	3.2
233.22577	3.5
243.21060	10.7
251.23759	4.3
261.22177	33.2
279.23212	100.0
297.21655	3.4
297.24500	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	297.2214
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
53.03938	2.5
55.01860	1.4
55.05516	11.9
56.75100	1.0
56.96543	1.4
57.03429	1.1
57.07064	1.9
59.90332	1.1
67.05504	29.5
69.03435	1.9
69.07063	8.7
71.04972	2.6
71.56151	1.3
79.05495	13.9
80.10718	1.0
81.03410	2.3
81.06582	1.8
81.07055	30.0
82.57228	1.1
83.04965	4.1
83.08598	4.2
83.31673	1.2
85.02874	1.1
85.06519	1.2
91.04990	1.1
91.05486	15.0
93.07045	33.5
95.04952	4.6
95.08608	90.1
97.06548	12.0
97.07197	1.3
97.07312	0.9
97.10153	3.5
99.04481	1.3
100.11223	1.1
105.07031	27.3
105.43247	1.0
107.04955	4.0
107.08598	25.0
107.40767	1.2
109.04565	1.2
109.06504	8.7
109.10162	16.2
111.04395	1.5
111.08076	1.4
112.56269	1.1
117.07021	8.8
119.08587	23.0
121.06511	7.7
121.10141	24.8
123.08077	12.5
123.11691	4.7
125.09653	1.5
127.07582	1.2
128.06213	1.8
129.06999	6.9
129.08884	1.0
131.08575	22.5
133.06480	2.6
133.10129	17.6
135.08081	6.3
135.11707	10.0
136.06172	1.4
137.09601	3.3
137.13252	2.8
141.06946	1.6
142.07767	2.4
143.08582	8.0
145.06424	1.3
145.10130	16.9
147.08041	5.7
147.11711	8.8
149.09645	7.4
149.13226	4.5
153.09149	1.3
154.07780	1.3
155.08507	7.4
156.09355	2.1
157.10158	10.8
159.08067	3.5
159.11713	15.2
161.09639	9.5
161.13237	8.9
163.11140	2.9
163.14769	2.3
165.06973	1.7
166.07755	1.4
167.08521	3.3
169.10110	6.1
170.10841	1.3
171.11696	9.3
173.09633	12.0
173.13261	34.1
175.11214	7.4
175.14812	6.1
177.12701	1.6
177.33908	1.2
179.08519	1.6
181.10123	2.8
183.11697	8.7
185.09671	1.3
185.13245	9.8
187.11194	4.4
187.14720	7.2
189.12706	3.4
189.16409	1.4
191.14198	1.3
195.11702	5.4
197.13228	5.0
199.11064	1.7
199.14864	8.4
201.12764	10.7
201.16449	2.0
203.14325	5.9
209.13295	8.0
211.14795	3.4
213.12727	2.6
213.16406	4.6
215.14334	5.9
217.15901	7.2
222.06813	1.6
223.14812	6.5
225.16249	1.2
227.14273	4.0
227.17992	2.2
229.15779	2.7
237.16322	4.2
239.17889	5.0
241.15845	4.4
243.13698	1.3
251.17973	3.6
253.19569	2.4
255.17441	1.6
255.21080	7.8
265.08783	2.0
269.19031	1.9
269.22589	2.2
279.21036	22.5
279.23718	2.0
297.11380	3.7
297.18622	4.0
297.22086	100.0
298.22470	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2215
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
51.70130	0.6
53.03928	1.2
55.01871	1.1
55.05519	4.5
55.41697	0.6
57.03453	0.8
57.07049	1.1
67.05508	9.5
69.03462	0.6
69.07074	6.4
69.33144	2.2
69.33563	3.1
71.05008	0.8
79.05497	8.3
81.07061	23.8
83.04974	2.5
83.08613	2.0
85.06544	1.1
91.05481	9.0
93.06477	1.1
93.07046	18.1
95.04965	1.6
95.08614	19.6
97.06535	5.6
97.10137	1.4
98.97596	1.5
99.96273	0.7
105.07037	15.8
107.04940	1.6
107.08603	14.5
109.06523	1.6
109.10163	8.2
111.08035	0.9
111.11695	0.8
115.05502	1.2
117.07019	6.2
119.08582	14.3
121.06499	2.4
121.10153	8.4
123.08068	2.0
123.11685	2.9
128.06203	2.4
129.07024	4.3
130.07825	0.8
131.08572	15.7
133.10118	8.6
135.08047	3.0
135.11691	5.2
137.09616	1.2
137.13258	1.7
141.06979	2.5
142.07776	2.8
143.08562	11.7
145.06471	0.8
145.09030	1.2
145.10126	14.6
147.08031	2.7
147.11705	5.6
149.09613	4.7
149.13281	7.6
151.11221	1.0
153.06978	0.7
154.07776	0.9
155.07388	1.0
155.08569	12.3
156.09319	0.9
157.10133	14.3
158.10928	0.7
159.08112	3.3
159.11711	10.3
161.09656	3.4
161.13255	8.5
163.11200	1.6
163.14847	1.2
165.06996	1.4
166.07837	0.8
167.08585	2.1
168.09337	2.0
169.10138	7.5
170.10788	0.9
171.11705	10.7
173.09630	19.3
173.13269	7.0
175.07552	0.7
175.11182	3.5
175.14845	4.9
176.80170	0.7
179.08556	1.9
180.01663	0.6
180.09322	1.3
181.10138	5.5
182.10855	2.1
183.11702	9.9
184.12459	0.9
185.09761	1.0
185.13255	6.4
187.11218	3.4
187.14818	4.8
189.12677	1.9
193.10159	1.6
194.11011	1.5
195.11749	6.3
196.12549	1.0
197.13254	7.8
199.11227	4.0
199.14821	6.3
201.12794	4.1
201.16420	6.1
203.14311	1.5
204.54004	0.7
208.12430	1.2
209.13266	9.6
210.14133	1.2
211.14809	5.5
213.12788	4.0
213.16299	3.5
215.14343	2.5
215.18040	1.3
221.13243	1.7
222.14230	0.8
223.14833	8.6
224.15619	1.2
225.16364	1.7
227.14314	12.8
227.17961	2.5
229.15831	2.2
235.14803	1.7
237.16318	5.9
239.17955	17.9
241.15956	4.6
241.19554	0.9
249.16389	0.8
250.16956	1.0
251.17992	2.4
251.80330	0.6
253.19556	2.2
255.17389	2.2
264.18762	0.8
265.08582	1.0
269.19202	0.7
269.22598	1.7
279.21088	22.6
297.22134	100.0
298.22427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.222
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
51.30141	0.3
54.07934	0.4
55.05502	1.0
57.06837	0.6
57.07085	7.5
61.01072	0.4
62.84604	0.4
67.05504	2.2
68.05018	0.7
69.03430	0.6
69.07057	1.5
70.06597	8.6
71.08637	7.5
71.55495	0.6
71.93967	0.4
79.05492	1.6
80.05003	0.9
81.07060	4.8
83.08572	0.3
83.26833	0.3
85.10185	5.0
91.05504	0.5
94.06546	0.8
95.08604	4.6
96.04486	0.4
96.08135	8.5
97.02937	0.4
106.06562	3.8
114.05495	0.7
114.09183	2.9
120.08086	0.8
124.07623	3.5
136.06003	0.3
137.08336	0.4
140.06996	0.4
142.08643	38.0
155.14322	1.1
174.87560	0.3
203.98271	0.4
232.20613	2.3
245.29100	0.4
250.21681	27.1
296.22217	100.0
297.22513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1857
Annotation	Lycoposerramine F
Peak:m/z	Relative Intensity
50.04043	0.4
53.03940	0.4
55.05502	0.5
56.05027	0.5
57.03425	1.1
69.03410	1.6
70.06591	0.9
71.04986	2.1
71.54323	0.8
77.26823	0.4
79.05484	0.9
80.04993	1.3
81.03413	0.9
81.07046	1.6
82.06570	1.1
84.04514	2.9
84.08098	0.4
85.02903	1.9
85.04823	0.7
86.06071	0.9
86.09744	0.4
87.04470	19.2
91.05453	0.7
93.07051	1.0
93.49587	0.4
93.92457	0.4
94.04028	0.5
95.06050	0.7
95.08551	0.4
97.02883	0.7
97.06521	0.6
98.06064	0.4
99.08097	2.8
100.07585	1.1
104.05799	0.6
105.03381	1.8
107.08566	0.5
108.08124	5.5
109.02835	0.4
110.06007	0.4
110.07164	0.6
110.09685	3.7
111.08228	0.4
113.97784	0.4
115.25613	0.4
117.09141	5.0
119.04932	0.5
120.08105	6.7
121.08448	5.9
121.10093	0.5
124.07627	0.7
127.03922	0.6
128.07086	0.8
130.05017	0.7
132.05263	0.8
134.08145	0.4
134.09531	0.4
136.07549	0.9
137.08369	6.0
137.54419	0.4
148.11215	1.3
150.07753	11.7
151.03926	1.0
151.08179	11.6
162.09135	0.4
163.03987	0.6
164.10789	0.6
166.08652	5.3
166.12282	26.0
167.08977	3.0
176.01262	0.4
178.12233	0.6
184.09698	0.6
187.09561	0.5
192.13797	0.5
193.13304	0.5
194.11777	8.8
195.12578	1.6
196.13339	3.5
208.09636	1.3
210.14836	3.0
217.10677	0.4
223.11980	2.5
232.30208	0.4
233.10008	1.0
234.14793	1.0
247.47249	0.5
250.10678	0.6
252.15950	40.8
261.10751	0.5
278.10214	0.6
279.11127	0.5
296.18567	100.0
297.18912	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04523	1.6
67.28863	0.6
68.04996	0.9
70.02955	1.8
70.66434	1.3
70.66823	1.5
72.04491	2.8
73.02915	2.3
79.05511	3.8
81.07045	2.1
85.02869	1.8
87.00826	5.0
87.04472	6.3
88.03986	1.5
89.02396	42.1
91.05478	10.7
93.07031	0.9
95.06078	3.3
97.02920	0.9
99.08095	8.8
99.56873	0.8
100.03973	2.4
101.04757	5.2
103.03944	0.8
103.05469	13.3
105.03400	4.8
105.07032	11.4
107.04951	3.4
109.24635	0.8
112.07647	0.8
113.02380	3.3
115.05438	1.1
117.05750	2.0
117.07021	13.8
117.09142	4.3
118.06554	6.6
119.07322	1.4
119.08598	1.9
120.08115	14.1
127.89186	0.9
128.06212	2.2
129.07010	12.8
130.06546	1.8
131.03413	41.5
131.04893	9.9
131.07323	2.8
135.04384	1.1
136.04810	1.0
142.24831	0.8
144.08069	2.6
145.04866	0.8
146.09654	65.7
149.06009	1.1
162.06339	1.0
163.03870	3.6
164.04195	4.5
164.10724	33.8
166.08652	2.6
166.12239	0.8
174.09186	4.5
190.05922	0.9
192.10201	100.0
193.04973	0.8
193.13365	2.8
194.05267	2.0
210.11218	8.4
214.05783	0.9
232.06772	1.3
232.09708	1.9
250.10757	37.3
252.20705	1.9
260.47476	0.8
278.10208	2.3
296.11313	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.72478	2.3
53.03957	10.7
55.01878	3.7
55.05511	23.5
57.07072	7.4
59.04964	1.9
59.64040	1.8
67.05174	3.3
67.05512	47.0
69.06731	2.5
69.07079	37.4
71.04985	3.4
71.08631	4.4
78.25859	1.9
79.05498	31.4
81.03423	50.4
81.07069	50.8
83.04993	15.8
83.08629	9.0
87.91967	1.7
91.05485	21.0
93.07055	32.5
95.04984	32.9
95.08606	24.9
97.10162	5.3
99.08092	5.6
101.73820	1.9
105.07041	17.5
107.08606	24.4
109.06516	8.2
109.10156	21.4
111.08101	4.6
111.09008	1.7
117.07029	4.8
119.08581	10.3
121.10131	11.4
123.08091	3.6
123.11711	9.3
125.09586	6.0
129.07054	4.7
131.08589	4.5
133.10143	15.2
135.08046	5.6
135.11693	7.4
137.13316	3.6
143.08626	4.1
145.10158	4.4
147.08105	2.9
147.11708	13.7
149.13260	7.0
151.11201	40.6
152.89926	1.7
153.09099	4.0
157.10176	7.9
159.11705	8.5
161.13239	12.4
163.14857	4.0
165.09148	2.4
165.12756	7.8
171.10312	2.6
171.11685	5.9
173.13304	5.2
175.11145	2.5
175.14880	5.0
177.12849	2.9
179.14343	6.2
183.11620	3.0
185.13297	6.2
189.11305	2.0
189.12851	2.9
193.12292	2.8
199.14876	2.9
201.16537	2.7
221.15190	2.0
225.16435	3.5
231.21121	9.3
241.19574	3.9
245.79071	2.2
249.22188	4.2
259.20575	8.0
260.02786	2.2
277.21646	100.0
280.21814	2.0
295.24359	28.4
295.34161	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.17528	2.2
55.01867	5.3
55.05521	29.2
57.03426	3.9
57.07067	6.3
62.32332	2.2
67.05514	70.1
69.03431	2.8
69.07074	23.6
71.04984	2.4
71.08277	3.7
71.08638	38.1
79.05502	45.8
81.03436	8.3
81.07070	55.6
83.04989	11.3
83.08633	19.8
85.06539	5.1
91.05495	24.0
93.06486	3.2
93.07056	61.2
95.04964	8.5
95.08621	38.8
97.06545	9.9
97.10190	19.4
99.08100	32.0
101.34798	2.3
105.07055	18.7
107.04952	6.1
107.08611	41.0
109.06549	4.4
109.10165	36.9
111.08094	3.2
113.09639	2.9
115.65054	2.2
117.07047	5.0
119.08597	18.3
121.10159	44.1
123.11700	3.7
125.09653	11.1
129.07033	3.9
131.08560	6.7
133.10149	14.7
135.11711	51.6
137.09613	5.7
139.11160	2.7
141.09132	3.7
143.08565	3.1
145.10126	6.0
147.11676	9.6
149.13274	16.6
151.11209	17.2
153.09114	2.5
159.11681	3.7
161.13263	11.1
163.11201	4.2
163.14851	4.2
173.13275	3.6
177.12752	4.3
179.14330	100.0
181.12268	3.4
181.75359	2.4
185.13258	4.0
189.11272	11.9
189.12762	3.7
195.13812	2.8
209.15436	3.4
221.15311	4.5
231.17651	2.6
235.16916	4.6
241.19534	3.5
259.20682	11.6
277.21649	73.1
295.22879	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03936	5.9
55.01855	3.6
55.05516	22.6
57.03447	30.0
57.07071	7.6
62.87853	2.5
64.36867	2.5
65.03923	3.3
67.05510	71.8
68.39972	2.4
69.07079	24.8
69.45156	18.8
70.56835	2.2
71.04968	4.9
71.08632	6.7
71.47713	2.2
73.02935	2.8
79.05065	3.2
79.05496	43.6
81.03417	4.1
81.07066	100.0
83.04960	8.4
83.08619	15.4
85.06538	5.2
91.05478	27.6
93.06475	4.0
93.07050	57.2
95.04990	3.5
95.08620	75.2
97.06543	6.3
97.10179	9.3
99.08101	6.4
105.07037	18.3
107.08599	37.3
109.06513	5.6
109.10153	29.0
111.08109	5.6
111.11663	2.4
117.07007	8.0
119.08591	22.0
121.10161	59.7
123.08037	12.0
123.10892	2.7
123.11694	10.4
125.09599	3.9
129.06961	4.4
131.08586	15.1
133.10144	19.7
135.08046	3.1
135.11707	42.9
137.09615	6.1
139.11211	4.7
143.08562	3.7
145.10126	12.4
147.11693	12.3
149.09610	3.8
149.13246	17.0
151.11092	3.2
157.10110	3.5
159.11729	14.8
161.13295	11.5
163.11205	5.6
163.14891	5.8
165.12689	5.5
167.10677	3.6
171.11694	4.1
173.13268	7.4
175.14832	4.7
185.13208	3.8
187.14899	15.5
190.76418	2.8
195.13780	7.0
201.16325	2.9
203.18011	4.9
205.15938	6.9
207.17426	9.1
221.19016	4.9
223.16899	8.9
231.21483	3.1
241.19466	6.4
259.20630	19.7
267.17551	3.6
277.21640	92.1
295.17337	4.3
295.20187	5.6
295.23169	9.3
295.31000	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	295.1542
Annotation	Oidiolactone F
Peak:m/z	Relative Intensity
53.03938	3.9
54.42834	1.4
55.01869	7.4
55.05507	12.7
57.03442	6.7
57.07084	2.7
59.04981	1.6
61.02931	3.1
65.03940	2.0
67.05508	23.1
69.03428	16.2
69.07076	9.8
70.06588	5.5
71.01343	1.3
71.04980	4.4
71.06909	1.6
71.55290	2.2
73.02915	1.8
75.04459	1.4
79.05496	21.2
80.05805	2.7
81.03423	24.5
81.07058	33.7
83.04981	5.1
83.08617	4.1
85.02913	3.9
85.06553	2.3
87.04447	1.3
87.68015	1.1
91.05482	20.8
93.07058	26.1
95.04981	8.3
95.08615	53.3
97.02901	27.9
97.06540	6.5
97.10200	6.5
98.97579	3.2
99.04475	3.8
99.08131	1.6
101.02341	1.5
103.03936	1.7
103.05463	3.6
105.07040	25.5
107.04975	4.1
107.08601	100.0
108.08916	3.9
109.02903	7.6
109.06520	13.2
109.10166	19.3
111.04490	2.2
111.08109	2.9
113.02358	2.0
115.03942	4.1
116.07095	5.4
117.07052	5.6
119.04955	2.2
119.08597	23.9
120.08112	1.8
121.06482	7.0
121.10146	22.3
123.04459	4.1
123.08086	8.6
123.11723	13.5
125.02335	2.6
125.05989	2.9
125.09653	4.0
127.03951	3.6
128.06229	3.4
129.07048	5.6
130.07816	2.3
131.08566	14.3
133.06454	6.3
133.10143	13.0
135.04410	1.8
135.08040	8.7
135.11702	16.7
137.05986	49.4
137.09575	2.9
137.13251	2.9
139.03961	1.6
141.05516	1.3
141.06985	2.1
142.07805	4.1
143.08571	6.7
144.09352	4.1
145.06519	3.2
145.10143	10.0
146.06102	1.2
147.08076	4.7
147.11681	11.9
149.06004	4.1
149.09630	11.1
149.13271	7.3
150.13667	3.1
151.07536	4.1
151.11203	6.3
153.05479	3.0
153.12724	1.4
155.07153	1.5
155.08546	2.3
156.09373	1.8
157.10159	9.1
159.08099	4.4
159.11696	24.8
161.09607	9.1
161.13316	5.6
162.13611	2.4
163.03857	1.9
163.07578	7.2
163.11205	20.8
165.12724	2.8
168.86920	1.5
169.10023	1.5
171.06628	2.2
171.08066	4.6
171.11761	4.0
173.09671	6.2
173.13301	1.5
175.07567	3.2
175.11180	9.6
175.14751	1.7
177.12756	94.1
179.07053	3.2
179.10716	5.1
179.14354	2.0
181.08690	2.5
181.12282	4.7
185.09647	13.4
185.13260	3.6
186.10405	2.9
187.11230	5.1
189.09137	4.6
189.12804	6.0
191.10670	3.8
191.14438	1.4
193.12219	3.0
195.11729	2.5
196.13341	4.0
197.08116	4.4
197.13635	8.5
199.11215	2.3
200.12183	1.3
203.10686	6.0
203.14343	3.1
205.12311	8.3
205.14012	1.2
213.12726	9.8
217.08670	2.2
217.12317	4.9
221.08005	1.3
221.11740	2.5
229.12248	3.6
231.13824	8.7
233.11697	1.9
235.11267	1.6
235.13295	3.0
241.12274	5.6
247.13284	6.2
249.14960	4.8
259.13345	26.1
277.11499	1.7
277.14401	27.5
277.21686	1.8
280.07257	1.6
295.09741	3.6
295.15485	48.5
295.20392	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	295.1542
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
54.71951	0.7
55.05508	2.2
57.03436	1.4
60.54815	0.7
63.80888	0.8
67.05499	2.6
69.03422	5.1
69.07087	4.6
70.06571	0.8
70.09777	3.5
71.04982	3.0
79.05487	2.8
81.07046	3.4
83.04996	1.2
84.04478	0.7
85.02907	1.1
85.06569	0.9
87.94053	0.7
91.05476	3.4
93.07054	4.4
94.06577	1.5
95.04969	5.8
95.08617	2.1
96.93150	0.8
97.02927	0.8
97.06540	1.6
97.10164	1.0
105.07021	4.8
107.04945	1.5
107.08611	5.7
109.02879	0.9
109.06534	1.5
109.10168	1.1
115.05444	1.4
117.07013	2.5
119.08597	9.6
120.08076	1.3
121.06499	2.6
121.10144	1.6
123.08078	2.3
126.44073	0.7
128.06187	1.8
128.42868	0.8
129.07011	2.6
131.08578	4.1
133.06561	1.5
133.10144	3.7
135.08070	6.8
135.11687	1.6
136.07582	2.2
137.05946	1.0
138.09184	1.1
138.65262	0.7
141.06978	1.7
142.07777	1.4
143.08574	7.6
145.06488	5.3
145.10153	8.9
146.05991	2.4
147.08040	5.3
147.11681	2.6
149.05899	1.2
149.09590	2.4
150.07768	2.1
151.07521	1.9
155.08569	1.4
156.09314	4.9
157.06601	0.8
157.10152	7.3
159.08069	9.0
159.11699	9.9
161.05981	2.5
161.09610	6.1
161.13222	1.7
163.03835	1.6
163.07520	1.3
163.11218	6.5
164.07091	1.8
169.10107	3.2
170.10880	2.6
171.08066	6.3
171.11696	11.9
172.08878	2.6
173.09641	13.1
174.10483	1.1
175.07574	0.9
175.11172	4.3
177.09178	1.7
177.12737	1.7
181.06462	1.1
181.10150	2.6
183.08118	0.8
183.11737	2.6
185.09662	3.6
185.13243	7.3
187.11240	10.2
189.09102	2.9
189.12779	4.7
191.07071	1.1
191.10684	2.0
195.11732	2.2
198.10352	2.5
199.11165	7.4
200.11948	2.8
203.06993	1.6
203.10657	1.9
203.14365	1.1
205.08710	1.4
205.12289	5.0
207.10185	1.0
213.12764	24.6
215.10684	3.4
217.08577	7.9
217.12157	4.3
221.11690	2.2
223.13332	4.2
226.71877	0.8
231.06593	1.7
231.13803	6.7
233.11736	14.1
235.13300	1.9
241.12198	2.1
247.13237	1.6
249.14908	4.4
251.12814	7.8
259.13318	26.8
277.11688	2.1
277.14374	23.6
279.57678	0.9
295.15414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34053	0.2
55.05512	0.4
56.05037	0.4
57.03420	0.3
57.04556	1.2
67.05505	0.4
69.03419	0.6
69.07062	0.3
70.06575	0.6
70.17510	1.0
72.08162	0.3
73.02935	0.3
73.19441	0.2
79.05496	0.6
81.03452	0.6
81.07049	0.6
83.04987	0.6
83.08620	0.3
84.04509	8.4
85.02917	1.2
86.09715	0.6
87.04501	0.3
91.05466	0.8
93.07054	0.9
94.04050	2.2
94.06567	0.4
95.04984	0.4
95.08624	0.7
96.05623	0.3
103.03954	0.3
103.05478	2.1
105.03394	0.8
105.07042	0.5
106.04006	0.3
107.04958	0.9
108.28417	0.3
109.10184	0.3
111.08054	0.6
117.07049	0.2
118.97171	0.2
119.03611	0.2
120.04491	0.5
120.08113	27.1
121.06495	0.5
123.06685	1.7
123.08051	0.3
130.05022	1.8
131.04936	1.4
133.05162	0.4
133.10091	0.4
134.78223	0.2
135.04393	0.9
135.05312	0.3
136.07582	1.2
139.03889	0.4
139.07556	2.2
141.05606	0.2
141.06609	1.0
141.09082	0.6
143.04939	0.3
146.05983	0.2
147.04398	0.6
148.06247	0.3
148.07561	0.2
149.05984	0.8
150.07759	100.0
151.03874	0.3
151.07433	0.2
161.06003	0.5
163.03925	2.1
166.08652	12.4
173.06023	0.3
173.09634	0.3
181.04970	0.5
186.09181	1.9
189.05528	0.3
192.06602	0.4
193.04956	0.8
203.07150	0.2
205.05060	0.5
209.11678	1.5
213.05508	0.8
217.05055	0.3
221.93950	0.2
229.04921	0.3
231.06511	0.8
232.09509	1.3
247.06012	0.4
259.06046	0.5
260.10312	2.2
277.07144	0.4
278.11411	3.7
295.08179	0.5
295.11755	5.6
295.16177	0.5
296.18549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0813
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
55.01860	0.9
57.03440	3.2
62.60946	0.6
69.03422	1.2
70.31581	1.9
73.02915	4.4
74.44214	0.6
79.05486	0.9
84.04507	5.4
85.02900	2.5
86.09743	0.8
89.03916	1.7
91.05477	1.6
94.04015	0.6
101.02390	1.5
103.03947	8.4
103.05463	2.7
105.03400	1.0
105.07021	0.7
107.04948	1.2
115.05459	2.5
117.03384	2.8
119.04952	1.4
120.08111	15.7
123.04419	1.2
129.07021	0.8
130.05031	1.1
131.04927	2.4
135.04416	20.7
136.07585	4.5
137.02341	1.6
137.05923	0.8
139.03864	1.2
141.06932	1.0
142.16702	0.6
143.03947	0.7
143.04851	3.1
145.02843	2.5
145.04828	0.6
145.06422	0.8
147.04405	7.8
149.05946	1.9
150.07764	9.9
157.06476	1.4
159.04483	0.7
161.05989	6.8
163.03908	100.0
165.05528	1.4
166.08632	8.6
171.04402	1.6
173.06009	1.4
175.03905	6.1
175.07637	0.7
177.05536	5.2
179.03371	2.0
185.05992	2.0
186.09135	1.0
187.03963	1.1
189.05479	8.9
191.03365	1.5
193.04965	45.5
195.79796	0.6
201.05420	0.7
203.07050	1.0
205.05006	3.7
207.06450	1.0
213.05424	4.7
215.07106	1.1
217.04950	5.4
229.04973	0.9
231.06503	6.1
232.09714	1.0
233.04518	1.3
235.05972	3.8
249.07542	1.5
259.06046	2.6
277.07108	3.4
278.10397	0.9
295.08133	26.7
295.12732	1.4
295.15845	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0814
Annotation	Cyclic dehypoxanthine futalosine
Peak:m/z	Relative Intensity
55.01874	2.1
57.03434	3.7
58.42528	0.7
61.02946	0.8
68.45316	0.6
70.93867	1.4
73.02931	4.2
81.07065	0.7
84.04529	2.0
85.02914	3.4
86.09716	1.9
89.03938	2.3
97.02934	0.9
101.02362	1.2
103.03962	9.1
103.05450	1.4
105.03366	0.8
105.07053	0.6
107.04969	1.2
111.04442	0.9
115.05463	2.7
117.03401	2.7
119.04922	1.2
120.08096	3.9
123.04430	1.2
129.07002	2.0
131.04939	2.9
131.08524	0.7
133.06586	0.9
135.04433	20.8
137.02354	1.9
137.05965	1.0
137.51768	0.6
139.03888	1.8
143.04930	4.2
145.02893	2.4
145.06512	0.9
147.04411	8.9
149.06013	2.3
150.07774	4.4
157.06531	2.3
159.04446	1.6
161.06001	8.9
163.03917	100.0
164.04671	0.7
165.05501	1.5
166.08676	1.8
167.04941	1.0
169.06499	1.0
171.04411	1.7
173.06023	1.7
175.03937	6.7
175.07581	1.3
177.05498	5.2
179.03394	2.6
181.05040	1.3
185.05959	3.5
187.03920	2.3
189.03946	1.0
189.05486	9.6
191.03378	2.5
191.07123	0.7
193.04980	40.9
201.05537	2.1
203.07045	2.7
205.04927	5.7
207.06398	1.1
213.05498	8.6
215.07054	2.5
217.04982	7.3
231.06540	9.3
231.90109	0.6
233.04439	0.9
235.05936	3.4
241.04932	1.9
242.91829	0.6
247.06250	0.7
249.07668	1.7
259.06036	7.2
277.07086	4.5
277.11749	1.3
295.08130	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2065
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
52.23316	0.2
55.01873	0.3
55.05509	0.3
57.07074	0.4
67.05509	0.9
69.03397	0.3
69.07036	0.2
71.08627	0.3
71.54838	0.3
71.55193	0.3
72.90134	0.2
79.05479	0.8
81.07063	2.5
82.07377	0.4
83.04960	0.4
91.05485	0.5
93.07057	0.6
94.04179	1.7
95.04996	0.4
95.08590	0.3
97.10178	0.3
105.07092	0.3
105.91663	0.3
107.04962	0.3
107.08620	0.4
108.08922	0.3
109.06533	0.3
109.10168	0.4
110.10484	0.3
121.10247	0.3
122.03657	5.6
123.11711	1.8
133.10133	0.4
134.10498	0.4
137.05988	100.0
138.06360	0.5
141.12778	0.2
145.10030	0.2
151.11259	0.3
152.11510	0.3
158.15436	1.5
170.15459	2.3
276.20407	0.9
294.21140	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19897	1.0
53.03936	2.1
55.05510	9.7
56.05839	1.4
56.96569	1.6
57.03431	4.6
57.07066	2.2
61.45271	1.1
67.05176	1.9
67.05508	26.5
68.05013	1.5
68.05824	1.7
69.06725	1.3
69.07071	11.1
70.06596	58.0
70.07400	2.0
71.04973	4.0
71.08620	1.2
71.55330	1.5
79.05073	2.1
79.05497	31.1
81.03428	9.3
81.07061	30.1
82.07404	5.8
83.08617	4.0
84.08936	2.1
85.06527	2.9
91.05489	6.7
93.07043	11.3
94.07388	1.6
95.04961	1.8
95.08612	61.6
96.08922	6.3
97.06506	2.4
97.10191	2.0
98.97545	1.7
99.08104	2.2
101.75644	1.0
105.07031	11.2
107.08598	40.0
109.06524	5.7
109.10160	25.3
109.10793	0.6
109.10916	1.1
110.10490	5.8
111.11694	2.1
111.32591	0.9
114.05510	5.9
116.07097	100.0
117.06973	1.3
119.08585	9.0
121.10141	4.8
122.09648	1.1
122.61052	1.1
123.08080	7.0
123.11691	4.4
124.12037	3.7
125.13284	1.4
128.44466	1.0
130.65437	1.1
131.08601	1.3
133.10124	5.6
135.11687	3.2
137.05994	1.6
137.09605	1.2
137.13264	2.7
138.13560	3.2
145.03186	2.6
148.11140	1.1
149.13268	26.2
150.12747	6.9
151.14835	17.0
152.15132	1.5
154.08556	1.7
161.13271	12.3
179.14313	11.5
180.18225	1.3
196.13329	49.2
206.79048	1.2
276.16382	1.3
276.20123	1.8
276.27899	1.3
279.06326	1.7
294.08545	5.0
294.17142	3.2
294.20621	31.5
294.28668	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	293.2838
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03946	0.9
55.01858	0.7
55.05513	20.2
57.03438	0.5
57.07081	13.4
65.03923	1.1
67.05509	31.1
67.48315	0.4
69.07072	44.0
69.18687	3.5
71.04988	0.9
71.08640	4.5
72.19539	0.4
79.05494	7.5
81.07062	86.9
83.08623	25.4
85.06543	11.5
85.10199	1.7
91.05502	1.0
93.07047	10.3
95.08612	100.0
97.06511	0.6
97.10175	17.3
99.08096	10.5
103.02400	0.5
105.07029	0.8
107.08599	10.1
109.10162	64.5
111.08102	2.8
111.11722	14.9
113.09676	2.3
121.10153	6.0
123.11716	36.4
125.09634	0.9
125.13271	6.9
127.11243	1.2
135.11691	7.2
137.13263	32.3
139.11182	0.6
139.14841	1.7
141.12743	0.7
149.13269	9.5
151.14815	10.4
153.12787	0.7
153.16373	0.5
155.14299	1.4
163.14842	4.9
165.16380	5.4
167.14342	1.5
169.15887	2.0
177.16382	2.5
179.17961	5.0
181.39491	0.5
183.17424	0.8
191.17964	1.9
193.19522	3.7
205.19542	2.2
207.21074	1.3
209.19005	1.2
211.20552	1.2
219.21204	1.0
223.20558	1.9
237.22214	1.6
247.24129	0.6
249.25809	1.9
255.00797	0.4
275.27423	5.4
293.28391	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.284
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03937	3.4
55.01851	3.0
55.05270	1.6
55.05513	24.2
56.45425	1.2
56.56697	1.3
57.03420	3.4
57.07079	13.3
59.05011	1.8
67.05507	40.6
69.03426	3.9
69.07069	53.7
69.09771	1.4
70.06536	1.3
71.01329	1.3
71.04987	3.8
71.08614	5.0
71.55203	2.0
73.06561	1.5
73.80922	1.3
77.03950	1.5
79.05496	17.1
80.95374	1.4
81.03403	3.4
81.07059	93.1
82.07401	1.7
83.04987	2.7
83.08147	1.9
83.08622	28.4
85.02864	2.3
85.06543	17.4
85.74928	1.3
91.05497	10.0
93.07055	21.0
93.83163	1.4
95.04961	4.1
95.08608	100.0
97.06523	6.0
97.10176	17.5
98.97559	2.1
99.08098	14.5
101.05997	3.1
103.05491	6.6
105.07047	11.0
107.04951	1.9
107.08599	19.3
109.02840	2.4
109.06492	2.5
109.10159	61.3
111.08087	4.9
111.11723	12.6
113.09635	2.5
117.07005	2.7
119.08580	9.3
121.06490	2.4
121.10161	12.3
123.08047	4.1
123.11709	32.8
125.09596	3.7
125.13260	8.0
129.07048	1.7
131.04929	17.4
131.06960	1.4
131.08559	4.8
133.10126	5.3
135.08035	4.7
135.11707	11.8
137.09610	2.7
137.13255	26.4
139.11140	2.3
139.14789	2.2
143.08559	4.7
145.10106	3.3
147.11642	2.2
149.02332	1.6
149.09586	4.6
149.13306	7.7
151.11273	1.5
151.14818	7.9
153.12735	2.2
155.08516	1.6
157.10135	2.9
159.08047	1.7
159.11717	4.7
160.28232	1.5
161.13260	2.7
162.12958	1.4
163.11128	2.2
163.14815	5.2
165.09113	1.6
165.12709	1.5
165.16431	3.7
167.14354	2.3
169.10088	1.8
169.15866	2.1
171.11705	1.6
173.13283	3.6
175.11128	1.7
177.16391	3.5
179.18031	3.1
187.11212	1.9
191.17986	1.8
193.40959	1.4
196.53250	1.3
205.06705	1.5
211.20602	2.1
215.18123	1.5
219.13757	2.1
239.17908	1.9
257.18970	1.6
261.03397	1.4
265.08447	3.0
275.17184	2.2
275.20090	14.3
275.23010	2.5
275.27322	5.6
278.05649	2.6
293.08054	10.1
293.11154	1.8
293.15054	2.1
293.18307	2.2
293.21732	7.9
293.24936	2.0
293.28366	54.8
294.13110	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	293.284
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03947	1.3
55.05514	20.4
57.03437	1.7
57.07082	13.9
67.05175	1.7
67.05509	27.8
69.07074	43.4
69.85003	0.9
70.06565	1.2
70.79317	2.3
70.79689	1.6
71.05012	1.7
71.08627	4.5
78.01632	0.9
79.05493	8.9
81.07063	83.4
83.08627	22.8
85.06538	10.6
89.88751	1.0
91.05482	3.1
93.07052	11.3
95.08613	100.0
97.10170	15.9
99.08099	10.2
100.81011	1.0
105.07037	2.6
107.08601	11.2
109.02894	2.1
109.10164	61.7
111.08099	2.1
111.11723	14.2
113.09652	3.4
119.08559	1.6
121.10136	9.0
123.11716	30.4
125.09691	1.1
125.13291	6.1
127.11163	1.2
135.11691	6.1
137.13266	30.0
139.11169	1.5
139.14813	1.9
141.12794	1.1
149.13264	8.7
151.14790	9.0
153.12711	1.0
155.14275	1.8
156.24379	1.1
163.14810	4.0
165.16444	5.9
167.14339	1.6
169.15857	1.8
177.16435	2.2
179.17969	2.8
191.18059	1.4
193.19530	1.5
205.19489	2.0
207.21075	1.2
223.20541	1.2
249.25832	1.5
275.19983	1.2
275.27405	4.8
278.05991	0.9
293.05075	1.1
293.08151	2.6
293.21307	1.5
293.28397	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.03723	1.2
51.33276	0.9
53.03933	3.4
55.01622	1.4
55.01873	13.6
55.05271	1.6
55.05516	23.5
57.03429	2.2
57.07069	3.5
59.04990	1.3
62.74920	1.1
65.03950	1.3
67.05509	41.7
69.03432	2.4
69.07072	30.9
69.40809	9.3
71.04990	2.5
71.08630	1.5
79.05499	38.7
81.03424	5.4
81.07063	67.1
83.04988	5.4
83.08630	16.0
85.06532	3.0
87.93772	1.0
91.05488	26.6
93.07048	31.4
95.04964	10.7
95.08614	39.7
97.06532	14.5
97.10168	10.9
98.20713	1.0
99.08080	2.9
101.29005	0.9
103.05451	1.0
105.07035	30.6
106.21469	1.2
107.04981	8.9
107.08601	42.2
109.06524	14.5
109.10161	23.9
111.08083	4.2
111.11720	1.9
113.09618	1.3
117.07024	7.3
119.07816	1.3
119.08592	21.3
121.06562	5.4
121.10157	16.4
123.08112	6.0
123.11720	10.8
125.09639	10.3
129.07018	2.6
131.08586	12.7
133.06508	1.3
133.10130	21.6
135.08101	5.9
135.11703	9.6
137.09599	4.8
137.13272	3.2
139.11185	2.9
141.07022	1.4
143.08594	1.9
143.10677	1.2
145.06386	1.2
145.10146	13.5
147.08032	2.0
147.11690	15.9
149.09624	16.6
149.13226	6.1
151.11203	7.8
151.14827	1.4
153.09079	1.2
157.10146	3.6
159.11731	9.3
161.09569	1.5
161.13271	5.3
163.11195	8.9
163.14825	2.6
165.09149	4.4
165.12737	3.2
169.10103	2.3
171.11693	4.0
173.09496	1.1
173.13261	4.8
175.11252	2.1
177.12750	3.5
177.16475	1.4
179.10760	1.4
180.59758	1.1
181.12219	1.4
183.11653	2.0
187.11218	2.4
187.14841	1.9
189.11176	5.0
189.12773	1.2
191.14343	2.3
195.13742	1.3
197.13258	2.4
201.16443	1.2
205.19214	1.4
213.16374	2.1
215.17984	2.0
223.13315	1.5
229.19528	4.4
233.18959	1.2
239.17929	5.8
247.20541	5.7
257.19006	13.2
265.21738	2.4
275.20078	100.0
293.15866	1.4
293.21152	34.2
293.28308	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	293.2113
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03952	26.5
55.01888	16.7
55.05521	22.9
57.07072	5.0
63.76411	3.6
67.05509	55.7
68.68347	3.0
69.07066	44.0
69.29042	8.3
69.29451	24.6
71.05001	6.0
79.05499	41.4
81.03432	54.7
81.07058	81.0
83.04981	7.8
83.08612	11.6
91.04963	5.8
91.05486	62.8
93.07060	39.2
95.01321	11.5
95.04964	15.6
95.08617	47.8
97.06536	22.8
97.10159	5.5
103.05455	4.1
105.07035	93.2
107.04975	28.1
107.08607	26.6
109.06549	4.1
109.10165	6.8
110.26233	3.8
111.08064	5.8
117.07051	20.9
119.07800	4.8
119.08592	47.9
121.06487	7.5
121.10168	7.8
123.04416	3.8
123.08099	17.1
129.07036	4.2
131.08571	29.3
133.09232	5.6
133.10138	58.2
135.07999	8.2
135.11676	13.3
137.09607	6.0
138.33804	3.4
141.07031	4.5
143.08545	6.1
145.06540	8.4
145.10146	25.3
147.11710	20.3
149.09650	8.9
149.13200	4.3
151.11183	5.4
157.10245	6.0
159.11687	21.3
163.11243	8.0
165.09221	5.3
169.10107	6.0
173.13335	5.7
177.12718	7.0
179.14259	12.0
183.11720	5.8
187.11275	16.6
195.13806	8.5
197.13297	3.5
223.13405	6.3
229.19542	4.0
237.11311	6.5
239.18019	4.5
247.20605	5.8
257.18982	9.0
257.21637	3.5
275.20078	100.0
293.21045	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.11500	1.8
53.03943	4.7
53.25389	1.8
55.01870	15.6
55.05515	17.5
57.03435	4.0
57.07069	4.1
67.05170	3.1
67.05508	38.1
69.03414	2.1
69.07076	26.9
71.04991	6.3
71.54936	2.0
79.05497	38.8
81.03417	7.3
81.07060	100.0
83.04983	4.0
83.08617	16.4
85.06540	3.6
91.05487	26.5
93.07050	29.8
95.04973	16.0
95.08613	26.7
97.06541	21.1
97.10181	4.4
99.08105	2.2
103.05482	2.6
105.07040	29.0
107.04988	9.8
107.08610	23.1
109.06522	36.6
109.10149	14.3
111.08075	3.1
117.07030	9.1
118.02761	1.9
119.08588	23.2
121.06538	4.6
121.10160	14.6
123.08072	10.9
123.11697	6.3
125.09631	3.7
129.07034	2.3
131.08588	11.4
133.10150	21.2
135.08061	6.4
135.11754	8.6
135.12590	1.7
137.09621	3.8
143.08569	3.5
145.06479	2.9
145.10107	14.2
147.11667	17.1
149.09634	12.4
149.13260	7.4
151.11177	4.8
155.08559	2.4
157.10196	5.0
159.11700	9.8
161.09679	3.9
161.13237	4.4
163.11174	11.9
163.14859	2.4
165.09109	3.2
165.12743	3.4
169.10135	2.9
171.11661	2.8
173.09604	2.7
173.13266	5.9
175.11031	2.3
177.12715	3.8
183.11734	2.3
187.11212	3.8
187.14819	1.7
189.11249	1.9
193.12251	3.5
197.13333	2.3
201.12755	2.9
213.16290	2.2
229.19559	4.7
239.17978	4.8
247.20609	7.4
257.19037	11.8
275.20071	86.7
293.15894	1.8
293.18289	3.3
293.21170	44.6
293.28311	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	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03941	2.1
53.22783	2.2
55.01861	5.6
55.05513	21.8
57.03426	2.3
57.07059	6.4
62.90070	1.7
65.03922	2.5
67.05504	59.4
69.06784	1.6
69.07074	18.2
71.04988	5.2
71.56140	2.9
77.21149	2.1
79.05495	35.6
81.03420	2.6
81.07056	45.7
83.04967	4.0
83.08627	10.9
87.39066	2.2
88.83583	1.8
91.04971	2.9
91.05482	41.0
93.07043	32.1
95.04951	5.6
95.08607	32.3
97.06525	3.6
97.10138	3.8
103.05473	1.9
105.07029	56.5
107.04938	5.6
107.08592	18.1
108.05339	2.0
109.06490	3.5
109.10159	22.5
110.67262	1.7
114.53705	2.1
116.39958	1.8
117.07037	14.6
119.08576	42.4
121.06502	3.9
121.10114	13.8
123.08052	3.6
123.11684	5.4
123.24239	2.1
125.09629	2.5
129.06964	5.3
131.08566	22.5
133.10130	42.3
135.08015	6.5
135.11673	5.0
137.09599	8.3
143.08551	4.6
145.10094	11.5
147.11681	27.9
149.09612	12.3
151.11205	2.5
155.08533	2.1
159.11690	12.7
161.13222	8.2
163.11156	4.0
169.10219	2.9
171.11641	5.2
173.13261	13.1
175.11221	3.1
177.43593	1.8
181.04938	2.3
183.11644	3.1
187.11183	2.4
187.14815	3.3
191.10510	2.4
197.13217	4.3
205.12083	2.1
209.11642	3.3
229.19458	2.2
237.11209	8.5
239.17949	4.2
247.20569	4.7
247.65067	2.3
257.18970	5.5
275.20078	100.0
293.18558	10.7
293.21832	6.3
300.16870	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03936	6.0
53.88460	2.5
55.01629	3.4
55.01878	54.0
55.05513	44.5
57.07070	3.8
67.05510	38.1
69.07079	16.8
69.54086	2.4
71.04979	3.5
77.91779	2.7
79.05065	4.7
79.05495	67.1
81.03384	7.0
81.07066	39.4
83.04977	14.0
83.08625	13.3
85.06529	3.0
87.17323	2.5
91.05502	32.0
93.07051	37.3
95.04979	12.5
95.08622	15.7
97.06541	100.0
97.10178	13.3
98.18931	3.0
103.05474	3.3
105.07041	33.7
107.04959	34.3
107.08606	42.5
109.06513	8.8
109.10155	13.4
117.07015	11.5
119.08615	19.1
121.06459	4.0
121.10110	12.7
123.11712	5.0
125.09639	20.2
131.08583	14.3
133.10153	16.5
135.08092	8.0
135.11722	4.1
137.09631	3.7
139.07539	3.9
143.08542	3.4
145.10118	9.7
147.11713	13.5
148.69769	2.6
149.09633	51.4
154.93097	3.3
157.10080	3.5
159.11678	9.4
161.13226	7.7
163.11163	9.4
165.09189	3.9
169.12296	4.1
171.11674	3.0
179.14294	9.5
187.11130	3.1
187.13350	2.7
189.11177	15.4
209.11679	2.5
209.15373	2.9
229.19467	7.1
237.11247	3.6
239.17871	4.3
247.20604	7.7
257.19022	16.4
268.55374	2.5
275.20096	99.8
293.21231	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	4.1
55.01885	6.4
55.05514	22.5
55.43273	1.5
56.06356	1.4
57.03434	3.8
57.07079	3.6
61.91425	1.1
65.03933	2.9
66.18340	1.1
67.05508	47.3
69.03424	2.5
69.06721	1.9
69.07072	21.1
70.99091	2.9
71.05003	3.8
76.24603	1.3
79.05497	44.7
81.03429	5.5
81.07061	100.0
83.04982	5.9
83.08627	12.1
85.06550	2.5
91.05484	37.4
91.76945	1.3
93.06470	2.5
93.07048	36.5
95.04973	10.8
95.08611	34.0
95.78196	1.3
97.06538	8.5
97.10165	4.5
99.04481	1.2
105.07034	44.8
107.04932	7.7
107.08600	30.6
109.06519	25.3
109.10158	27.0
109.10918	2.0
111.08086	5.7
113.06000	2.6
117.07021	9.9
119.08591	47.1
121.06515	4.4
121.10156	16.2
123.08080	10.0
123.11726	6.5
125.09629	1.9
129.06998	3.0
131.08578	13.4
133.10138	37.9
135.08058	9.1
135.11661	6.5
137.09625	9.8
138.63547	1.4
143.08606	2.3
145.10132	15.0
147.08086	1.5
147.11674	17.4
149.09633	11.3
149.13264	4.5
151.11191	14.0
153.19191	1.2
157.10110	3.4
159.11662	10.7
161.09621	2.3
161.13312	4.2
163.11189	7.3
163.14937	1.3
165.09201	1.9
165.12811	3.6
169.10117	2.4
169.12262	1.4
171.11749	3.9
173.13239	6.0
175.11217	2.4
177.12769	3.5
183.11638	3.0
193.12303	2.3
197.13290	2.6
203.14508	1.8
229.19621	4.4
239.17935	4.4
247.20689	6.9
257.18942	10.1
265.21609	2.1
275.20078	85.0
293.17813	2.3
293.21082	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03940	5.4
55.01859	7.3
55.05511	24.8
57.03429	4.6
57.07072	2.3
60.60585	1.4
65.03928	1.6
67.05504	45.7
69.03415	3.6
69.07067	22.9
71.04987	5.6
75.33632	1.7
79.05064	3.1
79.05494	49.3
81.03411	5.0
81.07059	100.0
83.04968	6.3
83.08614	15.4
85.06525	3.7
91.05483	31.6
93.06475	2.5
93.07047	34.7
95.04958	15.6
95.08606	38.3
97.06541	10.8
97.10150	8.3
99.08070	2.9
105.07034	35.7
107.04966	7.3
107.08600	30.4
109.06522	22.8
109.10159	15.6
111.08064	5.6
112.25272	1.6
117.07015	10.8
119.08582	36.3
121.06501	4.4
121.10143	17.1
123.08067	12.8
123.11707	7.3
125.09624	6.5
127.27003	1.8
129.07010	3.9
131.08563	16.2
133.10132	25.8
135.08051	9.7
135.11681	7.4
137.05972	2.6
137.09657	7.8
143.08563	3.6
143.61511	1.6
145.10139	12.8
147.11685	17.9
149.09619	11.0
149.13232	2.5
151.11200	8.2
155.08469	1.6
157.10104	2.7
159.11696	8.6
161.09639	2.0
161.13225	4.7
162.16975	1.6
163.11171	7.3
163.14906	2.5
165.12743	3.7
166.42094	1.5
167.78656	1.6
169.10199	3.1
171.11746	3.3
173.09615	2.7
173.13234	6.3
175.11223	2.8
177.12762	5.0
183.11717	3.0
185.13271	2.4
187.11194	2.5
189.11177	2.7
193.12244	2.2
197.13202	1.6
200.55928	1.6
203.14349	1.9
205.15927	2.3
223.13261	1.8
229.19450	3.2
239.17979	4.2
247.20584	5.8
250.22813	1.6
257.19025	9.6
275.20059	88.9
293.21072	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	4.3
55.01876	22.6
55.05266	2.1
55.05515	27.2
57.03446	1.8
57.07079	1.7
65.03942	2.9
67.05510	33.4
69.03434	2.2
69.07068	16.8
69.92722	4.9
71.04989	1.7
79.05496	43.0
80.63562	1.2
81.03418	8.1
81.07058	31.6
83.04983	5.6
83.08625	13.1
91.05482	26.6
91.06019	2.2
93.07046	28.3
95.04968	8.1
95.08608	20.2
97.06536	25.1
97.10175	21.5
105.07037	33.8
107.04970	8.5
107.08600	80.4
109.06521	5.7
109.10175	9.8
111.08113	2.6
117.07018	8.8
119.06132	1.8
119.08595	21.8
121.06528	3.7
121.10145	12.4
123.04400	1.8
123.08067	4.9
123.11728	2.9
125.09630	17.9
125.10457	1.9
129.07013	1.9
131.08569	9.5
133.10143	24.6
135.08084	4.5
135.11728	6.8
137.09644	3.1
141.06967	2.5
143.08476	2.5
145.10132	15.7
147.08006	1.8
147.11684	11.9
149.09622	18.7
149.13293	1.8
151.11171	4.4
153.09167	1.5
157.10143	2.3
159.11717	12.6
161.13208	6.0
163.11174	6.3
163.14957	1.3
165.09122	3.7
165.12793	1.3
167.53755	1.4
169.10147	2.1
171.10254	1.8
171.11571	2.3
173.11868	1.5
173.13251	5.4
177.12750	2.5
181.12297	1.5
183.11752	3.7
185.13304	1.6
187.11183	3.3
189.11224	13.4
197.13184	2.8
212.39835	1.2
223.13338	2.9
229.19600	4.7
237.11475	1.2
239.17998	5.2
247.20609	5.6
257.19034	12.3
275.20078	100.0
293.20892	16.4
307.20013	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	3.3
53.51099	0.9
55.01875	7.2
55.05514	22.5
57.03438	1.2
57.07087	1.1
59.05009	0.9
65.03931	2.4
67.05504	20.8
69.03410	1.9
69.07068	10.8
71.05002	1.4
79.05494	48.4
81.03407	3.0
81.03867	0.7
81.07060	17.5
83.04977	5.2
83.08618	14.7
85.06535	2.2
91.05482	23.9
93.07043	18.2
94.52003	0.8
95.05001	3.8
95.08054	1.3
95.08607	13.7
95.14703	0.8
97.06544	9.3
97.10175	20.1
98.21494	2.2
105.07034	29.9
107.04974	7.3
107.08595	100.0
109.06528	3.9
109.10147	5.8
111.08067	2.1
117.07025	4.5
119.06093	1.5
119.08579	13.5
121.06483	1.8
121.10150	5.3
123.08088	1.9
123.11678	2.8
125.09627	19.3
129.06993	1.3
131.08565	7.7
133.10136	16.8
135.08035	3.2
135.11679	4.7
137.09561	1.1
143.08588	1.9
145.06541	1.0
145.10129	11.2
147.11691	11.1
149.09619	11.6
149.13203	1.3
151.11165	2.4
153.09120	2.5
153.12679	1.4
157.10118	1.7
159.11731	5.9
161.13252	3.5
161.14688	0.8
163.11166	2.8
163.14786	0.8
165.09100	1.3
169.10086	1.9
171.10243	1.9
171.11653	1.8
173.11804	1.2
173.13258	3.1
175.11230	1.1
177.12677	2.0
179.14326	1.3
181.12204	2.1
183.11673	2.1
185.13292	1.4
189.11227	15.8
197.13208	2.0
213.16510	1.0
223.13194	0.9
229.19485	2.5
239.17911	3.9
247.20656	1.3
257.18961	9.0
275.20068	76.0
293.15628	0.9
293.18231	1.2
293.21127	14.6
293.27811	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1384
Annotation	Curvularin
Peak:m/z	Relative Intensity
52.11126	0.7
53.03707	1.0
53.03952	12.6
55.01872	2.5
55.05516	5.2
57.03447	4.1
65.03944	1.1
67.05512	6.5
69.03433	29.2
69.07055	2.7
71.04998	5.6
71.55206	1.0
72.01934	0.7
72.79587	0.7
73.02927	1.6
77.03933	1.3
79.05061	1.5
79.05498	21.8
81.03423	100.0
81.07063	7.4
83.04993	2.8
85.02911	4.5
85.06561	1.0
86.09657	0.7
87.04453	1.2
91.05482	17.1
91.06017	1.4
92.24750	0.7
93.07050	73.1
95.04976	7.3
95.08608	6.1
97.02895	9.8
97.06528	3.0
99.04456	8.0
103.05483	1.6
105.03434	1.1
105.04514	1.1
105.06384	1.4
105.07042	15.8
107.04920	1.8
107.08594	14.9
109.02890	47.5
109.06534	3.0
109.10164	4.4
111.04434	4.2
111.08075	1.1
113.09664	0.8
115.05454	1.4
116.06283	1.5
117.07032	4.2
119.08585	28.0
120.08147	1.0
121.06512	3.3
121.10152	57.8
123.04421	0.8
123.08092	3.0
123.11732	1.8
125.02325	1.1
125.05995	1.3
127.03925	8.9
128.06224	0.9
129.05504	2.9
129.07022	2.3
131.08580	11.0
133.06519	1.1
133.07594	0.8
133.10167	3.1
135.08064	1.9
135.11723	2.4
137.05960	0.9
137.09662	0.9
141.07037	0.9
143.08562	2.3
145.04956	0.9
145.06468	1.5
145.10161	4.1
147.08076	2.5
147.11676	2.9
149.02394	2.2
149.09622	25.6
149.13235	1.0
153.05666	0.8
155.08624	1.1
157.10164	2.3
159.08121	2.3
159.11716	1.5
161.06059	0.9
161.09644	2.2
161.13264	1.7
163.11259	1.5
165.09192	0.9
167.10724	1.9
173.09702	1.6
173.13397	0.9
175.11090	1.2
175.14812	0.7
177.09261	1.2
179.10715	0.8
185.13333	0.9
187.11223	1.2
189.09143	1.0
191.10660	1.3
201.12794	1.1
201.64864	0.8
213.07666	2.0
229.12431	1.2
233.11662	1.0
247.13365	2.2
257.11945	1.0
275.12823	1.8
275.20078	2.7
280.03680	0.8
293.13892	56.2
293.21371	1.6
297.89841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1231
Annotation	Itoside L
Peak:m/z	Relative Intensity
55.01865	0.8
57.03427	0.8
57.07062	1.9
59.05006	0.6
61.02913	1.2
65.03949	1.0
67.05507	18.9
69.03435	3.2
69.07079	0.6
69.90417	0.9
69.90811	1.0
71.04990	4.3
73.02923	1.1
81.03414	1.0
84.04520	0.5
85.02911	11.2
85.06548	8.8
87.04440	0.6
91.03968	0.5
91.05453	0.6
93.07063	0.4
95.04976	23.8
95.08582	0.4
96.39025	0.4
97.02916	2.6
97.03455	0.4
98.21447	0.5
98.97552	0.4
100.07633	1.0
103.05467	0.6
109.02883	0.8
112.02190	0.5
113.06012	100.0
121.12352	0.4
122.84937	0.4
127.03924	1.6
131.07048	51.7
145.04965	1.8
147.04449	1.4
163.03874	0.7
167.38431	0.5
177.05486	0.9
189.05469	0.6
229.05054	0.6
233.08176	0.5
293.06500	0.6
293.11227	0.8
293.15176	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01878	2.8
56.05060	0.6
56.96570	1.2
57.03446	2.7
57.06877	0.5
57.07083	5.1
59.04998	1.1
61.02917	2.6
65.03928	1.8
66.19617	0.5
67.05507	22.4
69.03436	8.0
69.07061	2.0
69.85896	2.4
69.86323	1.1
70.06590	1.6
71.01352	0.9
71.04993	5.0
72.08158	0.9
73.02920	1.6
74.09720	0.6
79.05493	0.7
81.03436	2.9
81.07058	1.3
83.04992	0.6
83.06089	0.6
84.04504	3.7
85.02908	29.8
85.06065	1.0
85.06544	10.5
86.09702	1.2
87.04487	0.8
88.03973	0.6
90.05515	0.6
91.03954	1.3
91.05488	1.3
93.07032	1.6
95.04972	28.9
95.08617	1.3
97.02897	6.1
97.06512	1.4
98.97577	2.1
98.98457	0.7
99.04457	1.5
100.07641	1.3
101.02318	0.7
103.05479	1.9
103.07598	1.3
104.92471	0.6
105.03391	0.8
105.07024	0.7
109.02898	2.2
109.57938	0.6
112.02182	0.7
113.06009	100.0
115.05448	0.7
119.08581	0.7
120.08127	0.9
127.03927	4.2
129.57747	0.6
130.05009	1.8
131.07048	72.7
135.04443	0.9
136.07617	1.1
137.06012	0.8
139.03911	0.7
141.68411	0.6
145.03287	0.9
145.04973	5.9
147.02753	2.2
147.04462	1.8
149.05998	0.6
152.07091	0.6
153.71265	0.5
159.04343	0.8
161.05974	1.0
163.03912	2.6
163.06035	1.2
164.05450	0.9
175.07497	0.6
177.05544	2.3
201.05548	0.9
203.03407	0.8
215.07014	0.9
219.06500	1.3
220.11876	0.7
229.04999	1.4
233.04364	0.6
233.08023	0.8
247.01350	0.7
247.06009	0.9
247.10936	0.9
275.05582	1.4
276.51880	0.7
293.06296	1.5
293.11142	2.7
293.14816	1.5
293.20538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1168
Annotation	N 98-1021A
Peak:m/z	Relative Intensity
53.03952	0.7
55.01873	4.0
55.05505	1.5
57.03428	1.2
57.07057	0.5
60.04510	0.9
61.00885	0.8
61.01159	9.7
67.05506	2.4
69.03441	1.2
69.07056	1.3
70.02946	0.7
70.06572	1.8
71.05004	2.4
71.06118	0.6
71.54510	0.8
72.04519	11.4
72.08150	1.0
73.02909	2.4
75.00072	0.5
77.00632	0.5
78.03796	22.8
79.05488	1.0
81.03429	3.5
81.07064	3.4
83.04998	2.5
84.08138	0.9
85.02910	16.3
85.06536	1.7
86.06083	4.2
86.09697	1.0
91.05472	1.5
93.07026	2.1
94.06548	1.0
95.08605	1.4
96.08118	0.7
97.06545	1.0
98.02409	1.5
98.06068	0.7
99.04465	12.0
99.08084	0.7
102.03772	36.4
103.02169	4.0
103.03950	29.6
104.01705	1.4
105.03407	0.7
105.07024	2.2
107.08598	1.9
109.02891	5.4
109.06503	1.0
109.10211	1.1
110.06008	0.9
112.05579	0.5
112.07597	1.8
113.06052	0.8
114.03770	3.3
114.05544	2.8
115.05009	0.7
115.08712	0.8
117.07010	0.8
118.03275	0.9
119.08578	1.7
120.04808	7.9
120.08145	0.8
121.10168	2.0
121.51479	0.5
122.06075	1.1
123.04461	0.6
124.07574	1.4
126.05526	28.8
127.03923	11.7
129.10260	0.6
131.04881	1.3
131.06393	17.7
131.08517	1.0
132.04802	16.9
133.10150	1.0
135.08139	0.8
136.07593	0.6
138.09119	0.6
139.03844	0.5
139.95726	0.5
141.06654	1.7
145.06461	1.2
146.06004	0.6
147.05872	1.9
147.08006	0.6
147.11682	1.2
149.07452	85.7
152.07082	4.2
152.14395	0.5
154.08617	3.6
156.06531	1.9
158.02760	0.8
161.13290	2.9
163.03886	1.8
164.07077	1.7
173.07140	0.9
174.07704	0.8
175.05354	3.4
179.14343	1.6
180.06569	22.0
186.05898	1.0
187.03958	0.7
189.12732	1.1
191.08440	1.3
198.07663	6.2
205.08537	1.2
207.13818	1.6
215.11847	0.8
216.08659	4.4
222.07962	0.9
225.14828	1.2
231.11679	6.2
233.07800	0.6
233.09731	1.2
239.16542	0.7
257.09573	3.6
257.12805	1.4
257.17484	0.9
261.38187	0.5
275.10599	5.8
275.13892	4.3
293.11694	100.0
293.14798	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	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71759	1.2
61.12335	1.2
66.34245	1.8
69.80006	1.3
71.39850	1.6
71.40177	2.9
92.53303	1.3
143.01907	3.7
173.02914	1.7
203.03979	1.8
216.61734	1.5
293.06354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1908
Annotation	eucatropine
Peak:m/z	Relative Intensity
53.03953	0.3
55.05511	1.4
67.05503	1.3
68.05827	0.3
69.07061	1.6
69.93139	0.2
70.06587	0.4
70.07381	0.4
70.83945	0.4
72.08150	0.6
77.04272	0.2
79.05478	0.9
80.05812	0.3
81.03414	0.4
81.07059	2.6
82.07391	0.7
83.04975	0.2
83.08614	0.5
85.06519	0.4
86.09669	0.4
91.05472	1.7
92.05002	3.6
93.05777	1.0
93.07042	1.9
94.06555	0.5
94.07352	0.5
95.04965	0.5
95.08603	2.0
96.08929	1.0
97.06525	0.9
97.10146	0.3
98.97564	0.3
105.07044	1.1
106.06538	0.9
106.07314	0.5
107.08612	1.1
108.08910	0.6
109.02859	0.3
109.10173	1.2
110.10481	0.9
111.08109	0.3
117.05751	1.0
117.06983	0.4
118.06541	12.2
119.07334	1.3
119.08530	0.6
120.08083	1.1
120.08869	0.4
121.10123	0.8
122.10461	0.3
123.11711	0.5
124.12051	0.5
130.06512	0.9
132.08054	1.4
133.10103	0.4
134.09618	0.4
134.10538	0.3
135.11661	0.6
136.11995	0.5
141.61563	0.2
144.08127	0.7
145.10025	0.5
146.09622	0.4
147.11700	0.5
149.13286	0.4
150.13553	0.7
152.15208	0.2
159.11609	0.3
162.09137	12.1
162.13661	0.3
163.09923	2.9
163.14769	0.4
164.10719	0.6
164.15213	0.4
167.18329	0.2
176.10706	0.6
176.14322	0.5
178.05013	0.5
185.09940	0.4
188.07005	0.2
196.13354	0.4
202.15926	2.7
217.02950	0.2
230.15410	14.4
246.14793	0.5
248.16475	0.9
248.24472	0.3
256.17520	0.2
274.10754	0.5
274.14560	0.3
274.18204	0.7
274.26154	0.4
292.15692	5.5
292.19052	100.0
292.27148	2.6
293.07806	0.3
293.19510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1544
Annotation	syn-3-Isopropyl-6-(4-methoxybenzyl)-4-methylmorpholine-2,5-dione
Peak:m/z	Relative Intensity
55.01882	0.6
55.64169	0.3
57.03432	0.3
67.05487	0.3
69.07073	0.7
71.01357	0.4
71.55420	0.3
73.02899	0.7
79.05488	0.6
81.07050	1.1
82.07381	0.4
91.05486	0.7
93.07021	0.6
94.07360	0.3
95.04955	0.4
95.08595	1.0
96.08942	0.5
97.06532	0.8
99.00797	0.5
105.07032	0.5
106.06516	0.3
106.07331	0.4
107.08583	0.7
109.10125	0.6
110.10506	0.3
117.05774	0.4
118.06548	4.4
119.08579	0.6
120.08937	0.4
121.10129	0.7
123.11726	0.3
130.09445	0.3
131.08549	0.4
132.08086	1.8
133.08861	0.5
134.09605	0.5
144.08093	1.9
146.09616	1.7
147.80377	0.3
150.13524	0.3
158.09637	0.7
158.99654	0.4
160.11195	0.9
172.11209	0.6
176.14349	10.5
178.04996	0.9
188.07082	1.8
190.08646	6.6
202.08575	0.9
202.15919	10.4
204.10257	3.5
216.10088	0.5
218.11789	2.3
233.14233	0.3
234.07632	4.1
246.14909	11.0
248.09207	2.8
248.11282	0.4
248.16444	5.6
249.10110	0.5
259.64279	0.3
262.10736	2.2
274.10754	1.1
274.14377	2.0
292.15424	100.0
293.15744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2683
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03943	1.2
55.05265	1.5
55.05516	17.5
55.93756	1.0
57.03437	2.2
57.07079	10.4
67.05510	35.8
68.94706	0.9
69.03408	0.9
69.07072	41.6
69.97108	4.9
71.04987	2.2
71.08627	5.1
79.05501	15.3
81.03410	3.4
81.07063	89.2
83.04963	1.5
83.08626	21.0
83.24522	0.9
85.06540	1.2
85.10192	1.3
91.05482	9.2
93.06474	1.8
93.07051	35.4
95.04979	4.8
95.08614	100.0
97.06559	5.0
97.10189	11.1
98.21473	1.6
99.08094	1.9
100.61783	0.9
102.89228	1.0
105.07046	9.5
107.08609	32.0
109.06499	1.5
109.10166	54.1
111.08086	3.9
111.11736	8.9
117.07093	1.0
119.08582	7.3
121.10157	24.9
123.04469	0.9
123.11715	32.6
125.09625	3.2
125.13259	5.0
133.10133	7.6
135.10683	1.9
135.11697	28.9
137.09651	1.0
137.13275	22.5
139.11169	4.2
147.11711	7.0
149.13269	30.6
151.11208	1.7
151.14821	7.4
153.12761	3.0
161.13278	4.0
163.14836	22.5
165.12761	1.1
165.16397	3.6
167.10738	1.1
167.14352	2.5
175.14832	4.0
177.16377	10.4
179.14276	1.0
179.17897	1.5
189.16418	4.6
191.18011	5.6
203.17992	4.9
209.19017	1.4
217.19586	6.0
219.21053	1.9
244.94849	1.0
247.24242	7.3
273.25766	24.3
291.26840	76.9
295.98291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2683
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.64911	0.4
53.03944	1.4
55.01883	0.9
55.05260	0.7
55.05511	9.0
57.03447	0.4
57.06118	0.4
57.07074	3.5
65.03956	1.0
67.05506	18.9
69.03433	0.7
69.07070	16.9
70.73944	0.4
70.74290	1.0
71.05000	0.9
71.08646	0.9
77.03936	0.5
79.05495	16.2
81.07058	100.0
83.08614	6.9
85.06554	5.4
91.05476	3.0
93.07046	16.2
95.04971	0.5
95.08610	51.4
96.08952	0.4
97.06540	1.7
97.10166	5.5
98.21519	0.4
99.08086	4.4
105.07019	4.0
107.08595	21.1
109.06546	0.6
109.10157	30.3
111.08088	4.9
111.11714	3.2
113.09653	0.9
119.08584	5.1
121.10140	13.7
123.11709	18.3
125.09642	2.5
131.08632	0.5
133.10107	2.3
135.11691	12.4
137.13255	6.5
139.11211	1.2
141.12755	0.5
147.11707	1.7
149.13263	13.1
151.14827	1.6
153.12759	1.1
161.13284	1.9
161.50053	0.4
163.14821	7.8
165.08974	0.7
165.16463	0.8
167.14314	2.1
175.14795	0.8
177.16383	5.1
179.17921	0.6
181.15964	1.2
189.16428	0.9
191.17944	2.4
193.19537	0.9
195.17598	0.3
203.17984	1.1
205.19548	0.8
209.19093	0.4
217.19533	1.4
221.19000	0.6
235.20532	0.8
245.22675	0.6
247.24167	0.9
273.25766	3.8
281.51801	0.4
291.19797	1.0
291.26819	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	291.2683
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03942	2.3
55.01876	1.6
55.05515	12.4
57.03429	0.8
57.07076	5.2
65.03947	1.2
67.05508	21.4
69.03428	1.3
69.06725	1.2
69.07072	20.2
69.82545	2.5
71.04996	1.8
71.08639	1.5
76.76859	0.7
77.72240	0.7
79.05063	1.1
79.05497	16.4
81.07059	100.0
83.04982	1.5
83.08626	8.2
85.06554	7.0
91.05484	5.3
93.06474	1.4
93.07047	21.5
95.04954	1.9
95.08611	59.7
97.06534	3.8
97.10171	7.9
98.20849	1.3
99.08103	6.5
105.07029	7.0
107.07870	1.3
107.08598	23.3
109.02905	1.2
109.06514	1.2
109.10160	36.4
111.08078	8.2
111.11726	3.4
117.07002	0.9
119.08575	7.6
121.10140	17.4
123.04388	1.8
123.08038	1.2
123.11714	22.7
124.12953	0.6
125.09631	2.9
125.13287	0.8
131.08569	2.1
133.10153	4.3
135.11708	14.1
137.09581	1.4
137.13261	8.5
139.03923	1.6
139.11203	3.2
145.10139	1.6
147.11650	4.7
148.53561	0.7
149.12184	1.1
149.13272	14.4
151.14804	1.7
153.12790	1.9
159.11711	1.3
161.13272	2.1
163.14832	9.7
165.09122	8.3
165.12775	0.7
167.14310	2.8
173.13280	0.7
175.14857	1.8
177.16335	5.6
181.15894	1.4
189.16348	1.3
191.17941	2.0
199.34691	0.7
203.17953	2.6
205.19502	1.6
217.19579	2.7
231.07927	0.8
247.24147	1.2
273.18561	1.3
273.25674	5.0
291.09808	1.0
291.20081	3.2
291.26816	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	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03939	2.2
53.96011	0.8
55.05507	5.9
56.39273	1.0
57.07049	1.0
65.03955	1.2
67.05508	39.9
69.03424	1.2
69.07072	6.3
70.14189	2.1
70.14590	2.0
79.05495	41.8
81.07059	29.4
83.08611	4.6
85.06521	2.0
91.05489	12.0
92.87231	0.8
93.07048	51.5
95.04952	2.4
95.08049	1.6
95.08611	19.4
97.06496	1.7
97.10166	1.7
105.07031	4.3
107.08598	22.0
109.06516	1.8
109.10160	4.0
111.08069	1.1
117.07005	1.8
117.86015	0.9
119.08573	4.0
121.10148	94.2
121.85583	0.9
123.11657	1.7
131.08597	5.0
133.10138	4.4
135.11696	41.9
137.09647	1.1
145.10136	3.8
147.11681	3.3
149.09645	1.2
149.13257	11.9
151.05504	0.9
159.11713	6.4
161.13211	2.3
163.11263	4.2
163.14740	2.0
171.11838	1.0
173.13263	1.4
175.14850	1.6
177.12750	7.2
189.68344	0.9
195.13826	2.7
199.14735	1.4
209.15363	2.8
238.03520	0.9
241.19485	4.2
259.20535	8.1
291.23193	100.0
313.98505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03925	6.7
55.01860	7.4
55.05268	2.8
55.05515	46.8
55.48898	2.1
57.03430	3.8
57.07058	4.1
59.04980	2.6
65.03940	2.0
67.05173	3.2
67.05508	45.0
69.03407	6.0
69.07069	26.7
71.04991	8.3
74.43371	1.9
79.05495	63.0
81.06581	4.0
81.07056	74.6
83.04960	8.4
83.08623	16.3
85.06534	4.3
91.05482	84.5
93.07045	74.5
95.04976	12.5
95.08609	51.2
97.06516	9.3
97.10180	15.4
97.37172	1.9
103.05460	3.4
105.07032	79.2
107.04951	10.2
107.08595	36.4
109.06533	13.1
109.10137	11.2
111.08083	18.1
115.05450	5.7
116.06231	4.8
117.07034	38.3
119.04918	3.0
119.08579	38.8
121.06496	12.9
121.10139	24.6
123.08092	17.1
125.09636	4.8
128.06216	12.0
129.07019	18.7
130.07785	9.4
131.08571	100.0
133.06467	8.7
133.10136	25.2
135.08029	6.8
135.11673	14.4
137.09619	4.8
139.11180	12.8
141.06955	7.7
142.07779	5.8
143.08560	75.9
145.10124	88.5
146.93536	2.1
147.08066	11.6
147.11682	9.2
149.09590	8.7
151.06438	3.0
151.07556	37.1
155.08553	6.3
157.10121	20.7
159.08060	4.3
159.11690	16.4
161.09592	13.4
163.11153	6.6
167.08542	3.3
169.10187	10.6
171.11700	15.0
173.09680	3.2
173.13281	2.7
175.11240	5.1
177.12717	4.0
179.10695	3.2
180.95898	2.2
181.10114	6.8
183.11707	7.8
185.13171	6.2
187.11246	2.7
189.12793	10.7
195.11674	15.3
197.11694	6.0
199.11195	3.3
201.12868	2.1
203.12830	3.2
207.13791	22.5
209.13246	2.3
213.12761	7.0
213.16348	2.7
227.17879	4.1
233.15443	2.5
237.16377	14.8
245.19005	5.1
255.17360	11.9
263.20114	3.5
273.18500	48.8
291.19574	30.2
291.27261	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	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.81398	0.8
55.05509	6.2
55.11615	0.7
57.07076	1.8
67.05502	5.2
69.03421	3.5
69.06719	1.2
69.07073	15.9
69.84317	0.8
70.99778	1.2
71.00079	1.0
71.04978	2.4
79.05497	8.9
81.03424	1.5
81.07064	15.6
83.04970	3.3
83.08608	3.2
85.02894	1.3
85.06543	1.3
91.05463	5.0
93.07058	22.1
95.04957	2.6
95.08608	16.4
97.06529	4.4
97.10166	2.1
99.08086	1.2
105.07044	9.8
107.04950	3.3
107.08600	13.7
109.06523	13.9
109.10159	8.8
111.04491	0.9
111.08086	3.4
111.11710	3.0
113.09634	1.7
119.08585	4.9
121.06464	2.2
121.10152	39.4
123.08061	2.8
123.11716	4.5
125.09609	3.2
129.07092	1.3
131.08551	3.6
133.06526	1.2
133.10135	4.4
135.08051	5.2
135.11700	4.1
137.09602	2.7
137.13255	2.1
139.03908	1.2
139.11168	3.3
143.08582	2.3
145.10138	3.7
147.04460	1.0
147.08025	1.8
147.11670	2.6
149.09631	12.3
149.13266	4.9
151.07536	2.4
154.44728	0.8
155.08569	1.9
156.09271	1.0
157.10115	3.7
159.11613	1.7
161.09657	1.4
161.13208	1.1
163.14839	2.5
167.10686	100.0
171.11682	3.3
173.09627	2.3
173.13237	2.9
175.11189	2.5
175.14827	1.4
176.29373	0.8
177.16521	1.0
185.13242	0.8
189.12802	2.2
191.10664	3.3
191.14310	2.5
191.18073	1.0
195.11732	1.1
197.13298	1.6
203.17972	1.1
205.19594	0.9
213.12732	1.7
213.16290	1.2
215.14340	2.8
215.17021	0.8
217.12297	1.6
217.19563	1.5
233.15407	10.3
255.17444	2.3
262.13657	0.8
270.72992	0.8
273.18561	9.6
273.25668	2.5
291.16898	1.2
291.19684	13.0
291.26749	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	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.77246	0.8
53.03946	1.2
55.05502	4.1
57.07069	2.5
59.04990	2.6
63.26472	0.8
64.96529	0.9
67.05492	4.3
69.07054	3.2
69.19116	7.9
69.19521	1.9
71.04984	3.1
73.45741	0.8
79.05493	5.2
79.43015	1.0
81.07065	6.7
83.04977	1.8
83.08629	4.3
85.06533	2.9
87.51446	0.9
91.05488	4.5
93.07060	13.2
95.04968	3.8
95.08615	15.9
97.06525	3.7
98.20753	1.6
105.07049	11.0
105.96143	1.1
107.04968	5.0
107.08602	9.0
109.06534	7.5
109.10139	3.6
109.52396	1.0
111.08095	32.1
113.09682	1.0
117.06992	1.5
119.08595	12.6
121.06542	2.4
121.10143	8.3
122.07282	1.2
123.08082	34.8
123.11623	1.2
125.09545	2.3
129.07025	2.2
131.08582	5.7
133.06511	2.6
133.10129	7.6
135.08057	8.5
135.11691	3.7
137.09593	4.0
143.08549	2.7
144.09352	1.3
145.10126	14.2
147.08032	3.0
147.11684	8.4
149.09618	4.9
151.07556	100.0
155.08646	1.4
155.10680	3.2
156.09346	3.3
157.10136	7.0
158.10927	1.3
159.08086	1.7
159.11740	4.8
161.09636	4.8
161.13269	3.1
163.11191	3.7
169.10126	1.8
171.11638	4.8
173.09630	2.7
173.13249	5.7
174.10492	1.9
175.11180	5.2
177.09096	1.5
177.12766	2.7
179.10680	4.1
185.13268	2.1
187.11198	4.0
187.14812	2.2
189.12740	27.6
190.06596	0.9
191.10657	1.3
191.14325	7.9
192.11496	3.8
197.11722	17.0
197.13347	3.2
203.14369	2.6
207.13815	68.7
211.14919	1.3
213.16353	3.1
215.14346	7.7
217.12294	3.3
231.17456	2.9
233.15378	24.9
235.13248	1.9
236.31602	1.0
249.18637	1.3
255.17447	3.8
273.18521	10.4
291.19568	69.2
291.26605	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03948	1.0
53.07374	0.8
55.01876	0.9
55.05514	7.6
55.69547	1.0
57.03424	0.9
57.07071	3.4
59.04998	2.2
67.05512	5.1
69.03432	2.5
69.07058	3.3
71.04985	3.7
72.54314	0.7
74.53361	0.9
79.05496	10.0
81.07067	6.4
83.04985	3.3
83.08632	6.4
85.02888	1.2
85.06556	2.1
90.05665	0.8
91.05486	6.9
93.07050	11.1
95.04964	5.7
95.08067	1.2
95.08621	16.5
97.06519	4.5
105.07033	8.9
105.65651	0.8
107.04959	13.7
107.08612	8.9
109.06540	7.9
109.10149	2.7
111.08086	41.3
113.09627	1.6
117.07016	1.9
119.08593	9.2
121.06505	2.8
121.10134	8.1
122.07284	1.1
123.08081	33.4
125.09628	2.6
125.22997	0.9
129.07040	2.0
129.49736	1.0
131.08618	5.6
133.06502	3.6
133.10138	9.0
135.08055	5.0
135.11696	2.9
137.09628	2.4
142.07790	1.4
143.08568	2.6
145.10126	5.8
147.08063	2.3
147.11694	4.9
149.09639	7.1
151.07552	100.0
153.09132	1.1
155.08592	1.1
155.10652	2.1
156.09367	2.4
157.10152	4.8
159.08095	2.8
159.11668	1.3
161.09601	3.5
163.11206	4.7
169.12204	1.7
171.11674	3.8
173.09669	2.1
173.13268	6.5
174.10384	1.8
175.11224	3.4
177.09091	2.4
179.10745	4.6
181.12250	2.5
189.12766	26.2
191.10677	1.3
191.14326	13.0
192.11424	5.2
197.11752	16.0
197.13330	1.6
199.11195	1.3
200.32196	1.0
203.14325	1.0
207.13812	66.0
211.13237	1.6
211.14987	1.4
213.12729	1.9
213.16426	2.1
215.14268	4.5
217.12273	3.0
231.17384	1.5
233.15376	42.4
235.13261	2.0
249.18401	2.0
255.17380	1.0
273.18558	7.0
291.19562	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.126
Annotation	Rotoxamina
Peak:m/z	Relative Intensity
55.05514	8.4
57.07067	2.5
59.04991	0.8
67.05507	17.4
69.03429	6.2
69.06783	0.6
69.07072	7.1
70.60709	1.3
71.04965	1.0
71.08625	0.7
78.73969	0.7
79.05503	3.3
81.07056	15.7
83.04984	17.5
83.08603	3.5
85.06550	1.5
91.05472	1.6
93.07046	5.3
95.04969	1.9
95.08606	13.5
97.06476	1.0
97.10135	1.4
99.43188	0.6
105.07014	4.4
107.08607	7.6
109.06518	7.9
109.10162	74.4
111.08105	3.3
119.08579	8.7
121.10152	8.1
123.08073	15.6
123.11741	4.7
125.09615	1.0
133.10136	6.2
135.11697	23.0
137.09627	16.8
138.10370	3.9
139.11176	3.0
147.11716	0.9
149.13260	3.6
151.11198	7.9
151.14819	8.5
165.16403	2.6
175.14830	7.7
193.15887	100.0
291.12634	6.2
309.02982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04551	0.6
53.03942	2.2
55.01875	5.1
55.05270	1.3
55.05518	18.5
57.03425	3.1
57.07074	1.4
59.05001	1.9
61.02926	1.5
67.05508	5.9
69.03437	14.2
69.07073	21.4
71.05017	3.7
71.30554	1.4
73.02946	1.5
73.06556	0.7
75.03611	0.7
78.68255	0.6
79.05501	5.9
81.03423	9.7
81.07063	12.1
83.04977	2.0
83.08624	55.0
84.04512	1.2
85.02913	24.4
85.04845	1.5
85.06536	2.3
87.08113	8.0
91.05489	5.0
93.07053	7.8
95.04989	4.0
95.08604	8.1
97.02895	5.2
97.06528	2.4
99.04472	3.0
99.08090	1.3
105.03377	0.8
105.07027	6.0
107.04980	0.9
107.08596	6.4
109.02879	9.5
109.06529	3.2
109.10154	5.5
111.04465	1.7
111.08090	29.5
117.07054	2.0
119.08569	4.1
121.06490	1.8
121.10153	5.0
123.04417	4.8
123.08097	2.2
123.11710	2.4
125.09613	1.0
127.03949	6.9
128.42288	0.7
129.09123	100.0
131.08572	3.4
133.10133	3.4
135.08043	2.5
135.11713	3.0
137.05960	2.0
137.09622	1.5
137.13260	1.3
138.09146	0.9
139.03922	2.2
139.07507	1.3
143.08595	1.7
145.04980	2.1
145.10135	4.1
147.04393	0.8
147.08032	1.7
147.11702	2.8
149.09653	1.7
149.13264	2.2
157.10164	2.0
159.08049	0.8
159.11737	2.5
161.05933	1.2
161.13246	1.8
163.11177	1.2
163.14836	1.6
165.05589	0.8
166.07710	0.8
167.08592	0.8
171.11696	1.8
173.09709	1.0
173.13281	1.7
175.14835	1.0
176.14317	0.7
177.09111	1.2
185.13429	1.0
187.06020	1.4
189.12692	0.8
213.12779	2.4
227.17877	1.2
229.19646	0.8
233.15291	1.2
255.12395	3.4
255.17480	1.2
273.13409	4.6
273.18524	3.2
273.21741	1.4
291.06570	2.5
291.10004	3.8
291.12973	1.3
291.16312	2.2
291.19662	7.2
291.23157	1.6
291.26404	3.8
292.15463	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	291.0866
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.03951	0.4
55.01886	1.9
55.05510	2.2
57.03442	0.5
59.04986	0.5
60.63777	0.4
63.92245	0.3
65.03947	0.9
67.05500	1.9
68.99799	1.5
69.03438	1.7
69.07063	2.5
70.06586	0.6
70.94612	0.8
71.04979	0.5
79.05506	0.8
81.03426	1.8
81.07061	1.3
83.04996	2.8
84.04513	0.9
85.02913	4.4
85.04849	0.4
91.05492	2.1
93.03425	1.3
93.07047	0.6
95.04995	3.4
95.08611	0.6
97.02891	1.6
99.04463	0.6
101.06029	2.3
103.03989	0.4
105.07047	1.6
107.04961	0.9
107.08555	0.4
109.02882	1.5
109.06500	0.5
111.04456	5.1
111.08088	1.2
111.11745	0.7
115.05455	1.2
119.04964	5.4
119.08589	0.5
121.02866	0.6
121.10172	0.7
123.04440	62.1
125.05968	0.4
127.03915	3.0
129.05519	2.3
129.12770	0.5
131.04929	0.7
131.08594	0.5
133.06447	1.0
133.10211	0.4
135.04460	0.5
137.02431	0.4
137.05989	1.0
139.03914	100.0
143.04944	3.0
144.04460	2.8
145.04997	0.5
145.06450	0.5
147.04427	22.1
149.06023	0.8
149.09648	0.5
151.03912	2.5
151.07545	0.8
151.11287	0.4
153.05457	0.8
161.05992	7.7
163.03897	2.1
163.07619	0.4
165.05492	15.7
169.04984	1.6
171.04425	0.5
175.07472	0.4
177.05511	1.2
179.07028	3.1
181.05003	0.9
185.06000	0.4
187.07451	0.5
189.05475	2.2
201.05402	0.4
203.06984	0.8
203.31615	0.4
207.06543	6.6
227.07097	0.5
229.16035	0.4
231.06577	1.0
245.07977	0.7
245.12769	0.4
249.07608	1.0
273.07477	3.1
273.12274	1.5
273.18869	1.2
291.08572	8.4
291.13358	2.3
291.19800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	15.1
59.84660	3.2
61.02927	3.8
69.03422	5.9
69.55151	15.6
69.55557	6.7
72.82071	2.7
74.39082	3.7
83.37032	4.0
84.96056	5.3
85.02913	9.6
97.02912	5.1
98.20831	6.9
98.97596	100.0
110.97573	15.0
116.98617	20.8
128.98604	11.1
129.05475	6.2
143.00186	3.7
145.01779	4.5
158.99678	30.4
163.02747	3.2
170.80592	3.1
171.03337	4.7
177.00735	15.7
189.04382	5.4
200.54802	4.9
205.00307	3.6
213.13756	3.6
219.01781	13.7
237.02798	12.5
281.04242	2.8
291.08371	61.3
309.08621	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0863
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01864	2.3
65.03934	1.1
67.05513	1.3
67.06410	0.4
68.99791	1.8
69.03415	0.4
70.59898	1.3
75.56419	0.4
76.61298	0.5
78.65781	0.4
81.03431	0.6
83.04989	1.2
84.04511	0.8
91.05486	1.2
93.03407	1.1
95.04990	2.8
95.44629	0.4
97.02873	0.7
105.07044	0.7
107.04980	0.4
111.04435	2.2
115.05472	1.3
119.04951	5.4
123.04433	64.5
125.09628	0.6
127.03934	1.4
131.04898	1.1
133.06480	0.8
135.04477	0.6
137.02380	0.6
137.05981	1.1
139.03905	100.0
140.04166	0.4
143.04930	3.0
147.04414	18.6
149.05994	0.6
151.03911	2.3
151.07529	0.6
151.08743	0.5
153.05440	0.5
157.06454	0.5
160.05174	0.6
161.04623	0.6
161.05986	8.1
163.03923	1.7
165.05476	15.5
165.06882	0.8
169.04962	1.6
175.07556	1.3
177.05469	1.9
179.07037	3.3
181.04880	1.1
189.05431	2.5
199.03806	0.5
199.07590	0.4
199.12328	1.0
202.89912	0.5
203.03384	2.4
203.07016	2.1
207.06505	6.6
212.04662	0.8
213.05540	0.5
227.06989	2.5
231.03064	2.0
231.06493	1.6
241.05017	0.5
245.08125	1.6
249.07492	1.3
255.06566	0.7
273.07660	2.9
273.12341	4.2
291.05380	0.5
291.08627	8.2
291.13480	3.8
292.11850	0.6
308.33820	0.6
314.69537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
62.93732	5.2
69.03471	5.7
69.45578	39.3
69.45922	5.3
70.06593	5.7
72.40936	5.5
84.04518	8.5
88.72906	5.2
98.97557	5.4
116.07079	8.3
125.91515	5.5
143.33574	5.6
155.12114	5.2
162.07704	6.6
200.54550	10.4
221.02486	5.6
291.08139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
54.18414	2.9
55.01873	8.6
56.96576	40.6
57.03444	15.2
60.08162	4.2
60.95844	3.9
61.02920	12.5
69.03438	23.4
69.46526	24.7
70.06573	7.3
70.98125	6.9
71.04974	6.4
72.08170	15.7
73.02925	15.8
74.06084	5.4
81.03401	9.3
82.06606	17.7
83.99957	5.0
84.04523	5.6
84.96025	7.1
85.02914	46.3
86.09711	7.8
87.04482	9.2
91.03967	4.1
96.04490	4.0
97.02896	32.8
97.96851	3.7
98.06084	3.7
98.20728	4.2
98.97594	100.0
99.04444	6.5
100.07626	7.9
100.99159	4.4
101.00882	25.1
102.00931	19.8
102.96888	4.0
105.98486	2.9
109.02885	7.4
110.01257	4.7
110.97577	22.3
112.05114	5.5
112.99149	16.8
113.00846	5.2
113.03484	13.5
114.00972	5.8
115.00703	4.6
115.02412	7.2
115.03906	6.3
116.02564	6.0
116.07092	12.8
116.98635	29.2
117.02113	3.1
119.00359	2.9
119.01917	31.5
120.02007	33.6
121.01629	5.5
122.24972	3.0
124.20445	2.7
124.99113	6.8
127.03934	11.1
128.07066	21.7
128.10707	7.1
128.98601	13.3
131.00153	9.3
131.01897	10.2
132.01999	7.4
133.03441	9.7
133.04967	6.3
134.03558	13.6
134.99690	4.1
140.02298	8.6
143.00163	7.5
143.01875	9.6
143.11754	9.2
144.02057	10.9
145.01733	5.6
145.04936	5.7
146.08144	4.1
146.99673	14.8
147.03102	3.8
149.01166	7.0
149.02815	3.8
150.03539	3.4
152.02333	3.7
157.03568	3.8
158.01183	3.7
158.09239	3.4
158.99686	19.1
161.01320	5.9
161.02945	13.6
162.03056	19.5
163.02748	6.0
163.04430	4.9
168.03618	17.5
170.00029	4.0
170.03531	4.1
170.99608	5.0
171.11250	4.3
172.01616	3.5
173.01347	3.8
173.02974	8.2
173.12901	5.2
174.03169	6.7
174.04492	7.2
175.00795	4.2
177.00732	9.9
177.04166	37.9
180.04587	12.5
187.04527	4.2
188.00996	8.9
188.04723	6.4
189.00703	10.5
192.04076	6.6
197.99274	4.3
200.00966	7.3
200.04430	18.4
201.00739	6.3
203.04033	4.2
206.02214	4.2
206.07065	3.7
207.01750	3.5
209.06744	4.6
216.00565	15.8
217.01976	4.2
218.02142	9.3
219.01807	26.3
220.03821	4.7
221.05038	5.5
224.04980	5.6
230.02107	6.4
230.07089	6.7
231.54918	3.6
234.01216	3.2
237.02859	25.8
239.04955	4.2
248.03188	21.7
248.08063	9.2
248.99185	7.8
266.04370	5.2
267.00278	12.5
272.11301	5.0
279.03934	4.2
290.06485	52.9
290.12274	23.1
290.15811	6.6
291.09427	7.2
308.05777	5.8
310.04718	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	290.0638
Annotation	PMEG
Peak:m/z	Relative Intensity
52.33855	4.0
53.99728	4.3
57.03422	4.5
68.60207	4.7
69.03436	5.5
69.98083	19.8
73.02914	12.3
81.32864	4.3
85.02909	8.5
90.04617	4.1
96.58295	3.9
97.02910	6.5
98.97603	19.6
117.02054	6.5
119.01826	16.9
121.48847	4.8
128.02325	5.8
128.98582	5.4
140.02374	4.4
143.01840	6.3
146.02341	10.0
155.02852	12.7
161.02884	8.2
170.03418	9.3
170.99742	5.7
191.03908	31.0
200.04449	77.7
200.54604	6.4
203.05397	5.1
204.05696	7.5
211.08607	4.2
224.14174	4.2
290.06436	100.0
290.09424	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	290.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89160	0.7
53.03942	0.7
55.01879	1.9
55.05511	1.5
56.05042	1.4
56.10236	0.6
56.96572	44.3
57.03430	2.0
57.07080	1.0
60.04513	1.5
61.02930	2.9
65.82545	0.7
67.05502	1.5
68.96622	0.8
69.03439	9.0
69.07073	0.8
70.06605	4.0
71.04989	1.3
71.33340	0.8
71.33675	1.0
71.95269	1.8
72.08171	4.1
73.02929	4.5
74.06071	3.4
74.97626	8.4
79.05507	1.3
81.03425	3.1
81.07066	1.0
82.06587	1.7
83.06101	2.0
84.04509	4.2
84.08153	3.8
84.96056	2.5
85.02917	15.6
85.06543	1.0
86.03250	0.9
86.06091	0.8
86.09718	29.8
86.10245	1.6
86.97607	8.4
87.04472	2.0
88.03999	0.7
90.05545	1.1
92.98660	1.1
93.04515	1.6
95.04979	2.4
95.06078	1.7
95.79764	0.8
97.02906	7.3
97.06564	1.2
97.96770	1.0
97.99229	0.6
98.06081	0.6
98.97594	100.0
99.04478	1.5
100.07619	3.0
102.05574	0.9
103.03941	1.0
105.03429	1.2
106.05032	1.0
107.04964	8.9
109.02898	2.5
110.01278	0.8
110.06054	1.6
110.07178	34.4
110.97579	6.4
111.04487	1.1
112.07626	1.8
112.08691	0.8
112.99129	1.2
113.05998	0.8
114.97068	7.3
116.07063	0.9
116.98637	37.3
118.08631	1.0
119.01881	3.1
119.05033	0.7
121.06525	0.9
121.32971	0.6
124.07590	1.2
124.99127	3.7
125.06017	1.5
126.05593	0.9
126.97073	0.9
127.03918	4.8
128.02361	0.9
128.04253	0.9
128.07088	5.0
128.07910	0.9
128.98628	5.3
130.08678	2.5
131.00195	1.3
131.08177	1.5
132.10210	1.3
132.98106	17.6
133.02849	1.3
134.99673	9.7
135.04469	1.0
137.05981	3.5
138.05522	0.8
138.97087	1.1
140.00163	0.9
140.07137	0.8
140.62538	0.7
140.98610	1.5
142.08676	0.8
143.00177	15.8
143.01363	0.8
143.01895	1.7
143.11804	1.7
144.98114	2.2
145.01808	0.9
145.03226	1.4
145.04973	2.4
145.09770	1.2
146.02321	1.3
146.08109	1.7
146.99666	2.5
147.04428	1.5
150.99158	26.5
151.03909	1.0
155.02919	1.6
155.04640	1.1
156.06523	0.5
156.07703	11.8
156.98109	6.2
157.13380	14.0
158.01237	0.9
158.99683	18.0
159.03282	1.2
159.04961	0.9
159.07697	1.8
160.03932	0.8
160.14461	1.6
161.01257	11.2
161.02936	2.0
162.99120	1.7
163.02744	1.2
165.05550	1.0
167.07086	1.4
169.00230	7.0
170.99678	1.6
171.11200	0.8
173.02985	1.7
173.09280	2.2
173.12943	1.2
174.99164	15.7
177.00739	16.1
179.07013	0.9
181.04297	0.7
182.03413	1.3
185.03050	1.1
185.12918	7.0
186.04428	2.1
186.99185	1.0
187.02740	1.0
188.05045	2.0
188.97147	1.6
189.00739	1.9
190.04976	1.5
190.98633	2.3
191.03903	4.6
191.05463	1.0
193.00238	19.6
193.04393	1.9
195.01784	0.7
200.04388	8.8
200.97658	1.0
201.00708	1.6
201.12265	0.9
202.05008	2.0
202.10736	1.5
202.98692	2.5
204.05568	1.5
205.00143	1.4
206.98129	11.0
208.04988	0.9
208.99693	0.8
209.05812	1.5
209.08437	0.9
209.55945	0.9
210.58083	0.8
211.01273	1.9
219.01776	5.6
219.13515	1.4
220.02080	0.8
220.11914	1.0
220.99690	3.4
224.99231	2.4
229.00304	1.2
230.98267	2.8
237.02922	5.5
238.03169	2.3
239.00833	2.8
244.10881	3.9
248.99210	24.3
257.05057	1.4
265.56613	1.1
266.07620	1.0
267.00269	82.8
272.00784	2.1
272.10489	1.3
272.16028	1.6
276.07855	0.8
285.01321	33.6
289.59555	1.1
290.01987	5.6
290.04822	0.9
290.06390	1.0
290.11743	8.6
290.59857	0.9
309.08664	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2528
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03942	3.2
53.29981	1.0
55.05268	1.4
55.05516	17.2
57.03436	1.9
57.07085	7.9
59.05003	1.0
65.03922	1.3
67.05175	1.5
67.05511	26.4
69.07070	35.3
69.82661	5.2
71.04994	3.2
71.08626	2.7
77.04018	0.9
79.05493	16.6
81.03423	13.3
81.07063	64.8
82.61160	1.0
83.04979	3.2
83.08622	14.7
84.04511	2.5
85.06547	2.8
91.05483	12.6
93.07053	29.1
95.04976	37.2
95.08611	65.5
97.06534	6.5
97.10180	11.1
98.21397	1.3
98.35712	1.0
98.97614	1.3
102.42461	0.8
105.07038	24.8
105.86077	0.8
107.04961	1.4
107.08604	30.5
109.06509	6.9
109.10163	44.6
111.08092	6.2
111.11726	7.5
113.58061	0.8
117.07024	3.4
119.08590	21.9
121.06471	1.3
121.10155	24.8
123.08054	3.6
123.11711	22.4
125.09600	2.2
125.13281	1.6
131.08578	5.3
133.10143	16.5
135.04431	1.9
135.08064	7.8
135.11703	18.7
136.05994	1.1
137.09622	3.3
137.13245	8.6
137.14914	1.2
139.11139	1.7
145.10130	9.0
147.11700	14.6
149.09616	1.2
149.13268	17.6
151.11205	4.4
151.14807	2.6
153.12770	1.5
159.11713	7.4
161.13269	14.4
163.14851	11.3
165.12788	5.9
166.96400	1.0
173.13266	5.3
173.35287	0.9
175.14862	11.3
177.12769	1.6
177.16364	4.6
179.14307	3.9
187.14821	5.8
189.16458	8.1
191.17941	1.5
193.15894	1.0
201.16452	5.1
203.17905	1.8
207.17456	4.5
215.17999	6.9
217.19487	1.0
219.17537	1.4
229.19519	2.2
231.21201	1.5
233.19025	4.1
245.22647	3.9
261.25766	1.3
264.16354	1.0
271.19876	1.0
271.24216	25.1
289.21790	7.1
289.25250	100.0
313.33890	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03948	2.1
55.05513	15.0
57.07088	8.8
65.03933	3.0
67.05176	2.2
67.05507	29.6
69.07070	44.6
70.70749	2.3
70.71068	3.1
71.04993	2.3
79.05493	17.1
81.03422	10.2
81.07061	74.1
83.04995	3.0
83.08621	16.5
91.05489	15.9
93.07048	30.9
95.04975	98.3
95.08611	73.8
97.06530	6.4
97.10166	12.8
105.07036	26.6
105.65048	1.8
107.08595	37.1
109.06503	11.4
109.09462	3.7
109.10163	48.9
111.08080	4.6
111.11740	9.1
117.07060	3.9
119.08587	27.8
121.10149	32.6
123.08045	4.3
123.11723	22.8
125.09612	2.4
127.03857	2.0
131.08571	5.3
133.10132	21.9
135.08055	2.4
135.11693	23.0
137.09631	4.3
137.13306	9.4
145.10126	10.1
147.11688	16.1
149.13263	21.5
151.11168	6.0
151.14761	2.3
159.11713	8.4
161.13255	19.0
163.14821	11.9
164.15804	2.2
165.12759	7.0
173.13303	7.3
175.14812	19.2
177.16379	5.4
179.14320	5.2
187.14862	4.8
189.12752	1.6
189.16370	8.4
201.16402	6.2
203.17928	5.5
215.17975	7.8
219.17438	2.9
233.19156	2.6
245.22731	6.6
271.24194	32.4
271.33618	2.1
289.25281	100.0
299.52243	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
55.05515	25.0
56.74530	5.0
57.07070	8.1
59.04998	17.1
63.96719	4.5
67.05513	25.7
69.07076	44.6
71.04993	4.9
71.55235	7.8
79.05486	23.5
80.06943	4.6
81.07052	73.3
83.08616	18.4
85.06549	21.5
91.05474	10.3
93.07063	40.6
95.08617	100.0
97.06522	18.8
97.10158	14.6
99.08109	8.9
100.22832	4.9
105.07031	34.4
107.08590	42.9
109.06555	6.6
109.10147	69.2
111.11700	12.4
117.07018	5.0
119.08575	29.9
121.10120	37.5
123.11712	39.8
131.08572	9.7
133.10170	23.9
135.11699	31.1
137.13219	12.2
145.10127	10.5
147.11658	16.2
149.13280	30.4
151.11147	9.4
157.10222	5.6
159.11681	11.7
161.13266	22.7
163.14877	29.0
169.10086	5.9
170.26518	5.5
173.13283	22.5
175.14828	18.5
176.35628	4.7
177.16380	8.8
179.14337	5.3
187.14751	7.9
189.16374	16.6
191.17989	9.2
201.16470	12.8
215.17955	17.4
245.22559	12.0
259.16922	5.8
271.24249	67.5
289.22000	22.0
289.25262	99.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.3
55.05495	8.2
56.50365	2.7
66.07725	2.6
67.05517	13.5
68.13093	2.6
69.03425	3.8
69.07076	17.5
69.35890	22.8
71.04955	8.1
79.05499	18.1
81.07062	34.5
83.04973	12.7
83.08604	7.7
85.06533	9.0
91.05476	15.3
93.07048	56.1
95.04955	15.5
95.08614	29.6
97.06541	25.2
99.04472	15.0
105.07027	34.3
107.05009	2.7
107.08598	30.3
109.06512	29.1
109.10134	6.5
111.08085	19.3
113.06015	3.7
119.08591	13.0
121.06503	74.6
121.10138	8.0
122.03200	3.4
123.04459	3.1
123.08075	3.7
123.11713	10.7
125.06017	16.0
127.03914	3.1
127.07546	5.7
129.06950	3.3
131.08582	8.3
133.10144	21.6
135.04393	4.6
135.08041	11.8
137.05904	4.5
139.07550	22.4
141.05449	3.3
143.07013	9.9
143.08487	5.4
145.10136	7.5
147.11697	45.6
149.13228	3.7
151.11189	9.1
153.01830	3.0
157.08611	13.5
157.10117	16.3
159.06523	11.5
161.13219	9.3
165.12755	19.3
169.12260	16.6
171.11650	14.1
174.06668	2.9
175.11211	33.1
181.10101	5.4
189.12759	26.5
193.12270	35.1
193.13916	4.4
199.11192	27.7
207.13835	18.2
211.13278	30.4
217.12245	95.0
229.14359	12.4
235.13309	100.0
253.12012	4.6
253.14386	56.7
271.15384	5.2
289.06042	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.6
55.01861	2.2
55.05499	5.7
55.05752	1.6
57.03432	4.4
61.02915	4.1
67.05501	8.3
69.03433	27.8
69.07066	9.8
70.59695	2.3
70.60051	3.3
71.04996	12.7
73.02916	4.1
76.36587	1.6
79.05489	9.3
81.03421	27.2
81.07060	23.9
82.06574	4.6
83.04970	8.6
83.08605	4.1
85.02908	47.9
85.06526	5.7
91.05475	7.6
93.07042	22.8
93.67006	1.6
95.04975	7.7
95.08618	20.1
97.02897	22.6
97.06539	12.9
99.04462	65.4
100.07594	2.6
103.03944	48.3
105.07030	17.5
107.04967	8.7
107.08596	12.4
109.02885	33.7
109.06526	13.4
109.10138	3.7
111.04420	2.4
111.08062	10.3
113.06017	3.0
115.07568	2.5
119.08598	10.3
121.06507	29.2
121.10149	3.4
122.06173	1.5
123.04426	5.9
123.08048	4.2
123.11723	4.0
125.05986	6.6
127.03919	100.0
127.07551	5.0
129.07008	3.8
131.08543	4.4
133.06465	2.6
133.10117	7.7
135.04430	5.2
135.08034	5.8
137.05989	2.9
137.09575	1.6
139.07587	11.1
143.07028	4.6
143.08528	3.6
144.04422	5.1
145.04993	14.1
145.10147	4.5
146.08150	1.7
147.08044	1.9
147.11687	17.2
149.02324	4.7
149.09555	1.9
151.11124	3.8
153.01817	6.8
153.12706	2.8
157.08705	3.1
157.10146	7.9
159.06557	6.6
161.09550	3.1
161.13252	4.0
165.12796	5.3
169.12270	8.4
171.07936	1.7
171.11697	7.1
173.13269	2.0
174.08882	1.5
175.11186	10.7
187.06018	14.7
189.12733	7.7
193.12267	12.9
195.02908	2.0
199.11224	9.4
207.13835	6.1
211.13223	12.1
215.07047	5.8
217.12253	38.8
229.14406	7.4
235.13277	39.1
243.06554	3.5
253.14343	22.7
271.08173	2.6
283.02872	1.6
289.11774	4.8
289.15167	2.6
289.18045	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	289.0708
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
53.03933	2.6
55.01872	1.4
55.05506	1.3
57.03429	2.5
61.02919	1.4
65.03939	1.9
67.01873	1.2
67.05499	2.0
68.99792	3.6
69.03087	0.8
69.03436	11.5
69.07058	1.6
71.01373	0.7
71.04993	4.3
71.25874	1.6
73.02915	1.0
76.35694	0.7
79.05486	2.7
81.03424	10.9
81.07071	4.2
81.63328	0.6
83.04987	0.8
84.08154	1.7
84.97659	0.7
85.02428	1.0
85.02914	18.3
85.06538	1.1
87.04463	0.7
88.60000	0.8
91.05482	5.2
93.03418	0.7
93.07042	2.1
95.04968	2.3
95.08611	1.2
97.02902	10.9
97.06519	1.0
99.04465	20.2
101.02393	0.7
103.03947	7.0
105.03379	0.7
105.07028	2.3
107.04964	24.6
107.08602	1.4
109.02887	10.6
109.06517	2.4
111.04419	1.4
115.05488	0.8
117.07001	1.1
119.04919	2.3
119.08605	1.4
121.02879	8.1
121.06541	0.9
121.10159	0.7
123.04456	4.1
123.08103	1.0
127.03932	38.9
127.07558	1.6
129.06972	1.8
131.04948	1.9
131.08580	1.8
133.10132	0.7
135.04408	4.8
135.08076	0.8
137.02391	0.7
139.03860	3.7
139.11084	0.8
141.06999	3.6
145.02927	1.3
145.04970	6.0
145.06474	2.0
145.10123	1.2
147.04402	1.0
147.08060	1.7
149.02356	62.0
149.09607	1.1
151.03860	1.4
153.01851	24.0
157.10129	1.4
159.04396	1.2
159.08093	1.6
163.03946	1.8
167.03400	2.2
169.06497	5.4
173.06001	1.5
173.71135	0.8
181.06447	0.9
187.03845	1.0
187.06012	3.0
187.07556	1.6
187.14801	0.9
188.06905	0.7
195.02904	1.1
197.06004	6.5
215.07040	72.0
225.05429	1.7
227.06963	0.7
235.13301	0.8
235.17212	0.8
243.06548	100.0
245.05997	3.6
253.04956	1.4
253.07408	0.7
253.09863	1.4
261.07648	0.8
271.06009	38.4
271.10803	2.6
271.14066	1.4
289.06863	4.3
289.11694	6.5
289.15274	1.9
289.18301	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61226	3.0
55.01863	5.4
56.96564	26.2
57.03430	3.8
60.05641	4.1
61.02919	9.8
65.21859	3.6
69.03436	22.7
69.61605	21.5
70.06591	15.7
70.99870	3.1
71.04996	5.5
71.06921	3.4
72.08141	3.5
73.02911	8.2
81.03409	7.1
82.99847	11.2
83.04956	3.9
84.08131	5.5
84.96031	4.1
85.02426	4.6
85.02908	45.0
86.09702	6.3
87.04440	5.8
97.01392	9.0
97.02887	16.8
98.79007	3.1
98.97594	60.1
100.07592	4.0
101.00886	87.4
103.03970	3.8
109.02901	7.2
110.97574	16.3
112.99155	4.0
113.00848	11.0
115.02470	24.2
116.98624	18.4
119.01930	100.0
127.03891	16.9
127.04974	8.5
127.08687	4.5
128.98601	8.1
129.03981	8.4
131.00186	6.0
131.01938	17.5
133.03485	31.0
137.02942	9.7
143.00142	8.1
143.01897	27.6
145.03477	13.5
145.04932	6.2
147.05109	6.3
158.99678	5.5
161.01163	3.4
161.01611	5.0
161.02971	59.0
161.06642	4.0
168.99814	14.7
169.03448	11.5
170.99838	3.3
171.01395	17.3
172.94373	7.3
173.02972	14.9
177.00826	4.9
178.04843	5.3
178.55025	6.2
179.03876	4.6
185.02919	6.5
187.00899	35.2
187.02510	4.3
187.03061	3.3
187.04555	27.9
189.02458	19.1
191.03958	10.4
196.99258	8.1
199.00905	23.8
199.04507	4.2
201.00702	3.7
201.02481	8.1
205.01968	15.8
215.00378	40.1
216.04732	4.1
216.96997	4.5
217.01936	22.7
219.01721	19.2
219.03563	12.3
229.01894	10.4
229.05603	8.7
231.03473	4.7
233.01318	4.2
237.02817	15.1
237.05083	4.6
246.05740	8.6
246.97835	3.5
247.03053	41.4
248.07936	6.1
259.03033	5.5
265.03790	6.1
274.97534	6.8
289.03961	11.6
289.06790	66.3
289.20609	13.1
292.98660	3.5
305.10516	5.0
307.05133	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	289.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.9
55.01874	4.4
56.96563	14.2
57.03431	10.4
57.03698	2.6
61.02929	16.9
64.60703	2.7
69.03429	22.7
69.60816	13.7
70.06591	9.3
70.99880	3.1
71.04996	4.9
73.02925	23.0
75.16986	2.5
81.03403	10.2
81.04546	17.2
82.99850	5.5
84.04494	2.7
84.08154	3.1
85.02914	35.0
91.03980	2.8
95.04958	5.5
96.71980	2.7
97.01405	3.8
97.02905	20.2
98.97577	28.3
99.04444	8.6
100.07651	2.8
101.00270	5.0
101.00892	60.3
101.02389	3.2
102.52391	2.7
103.03983	4.8
105.03397	66.0
105.04494	3.5
107.68333	2.5
109.02877	11.7
110.97613	4.3
113.00894	9.0
113.02064	2.3
115.02439	21.0
116.98623	5.9
119.01926	100.0
120.02045	2.9
123.04387	3.8
127.03901	36.3
127.05045	28.3
128.02303	3.1
128.98625	6.5
129.03987	7.7
131.01857	20.0
132.03467	3.0
133.03484	29.5
137.02971	10.3
143.01907	31.9
144.02020	2.9
144.99800	6.3
145.03441	5.6
145.04962	7.7
146.02283	3.4
155.01863	8.3
157.03496	6.3
158.99654	5.1
161.02969	44.6
162.03085	3.3
162.04425	3.2
163.04585	4.0
165.54115	2.6
167.01950	3.0
168.99834	15.5
169.03551	4.6
171.01335	6.6
173.01666	3.4
173.02950	18.5
174.03163	3.4
174.04535	6.1
174.54616	5.8
174.99156	3.3
175.03006	2.8
175.04512	9.4
177.04166	6.6
183.05095	12.7
183.55180	11.2
184.04985	9.5
185.02994	5.8
186.04648	3.6
187.00912	28.4
187.04510	10.8
189.00719	5.5
189.02458	12.7
190.03940	4.0
191.03993	10.1
192.05527	7.2
192.55664	7.2
193.03673	5.1
193.05424	11.5
196.99356	6.7
199.00870	6.0
199.06276	10.6
200.04573	3.9
201.02490	5.6
203.05246	10.3
203.06996	3.1
204.04092	3.3
205.01981	9.9
213.03456	5.1
215.00381	35.6
217.01990	14.4
219.03520	7.3
221.05110	5.9
229.01877	12.4
231.03470	5.3
233.01382	5.0
245.05075	4.2
247.03055	32.5
259.06528	2.6
262.61649	2.6
265.04117	7.2
267.00204	6.5
285.01099	3.4
289.03909	6.6
289.06592	12.0
289.09476	22.8
289.14987	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	289.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
53.71329	1.2
55.01862	3.9
56.96561	5.4
57.03449	6.9
58.71622	1.2
58.85024	1.5
58.99867	1.3
60.39705	1.1
61.02932	8.2
69.03443	11.9
70.06602	6.7
70.99883	1.8
71.01365	1.4
71.04971	2.4
73.02924	13.0
73.06422	1.2
81.03444	6.9
81.04547	7.2
82.03734	1.4
82.99856	5.0
84.08143	2.5
85.02911	27.7
85.03422	1.5
86.03248	2.4
87.04473	1.9
91.05469	1.3
95.04976	3.6
97.01368	2.8
97.02907	11.7
98.03217	1.4
98.97587	13.3
99.04461	6.2
100.07643	1.4
101.00892	58.5
102.00961	1.4
102.02409	1.5
103.02415	1.5
103.03937	1.6
105.03408	26.5
109.02875	8.2
110.97567	2.5
111.02954	1.5
113.00900	7.3
115.02448	21.8
115.03803	1.4
116.07063	1.9
116.98621	5.0
117.03989	3.6
117.37023	1.4
119.01930	100.0
123.02901	1.9
126.98721	2.2
127.03906	28.1
127.05037	15.4
128.02353	3.3
128.98589	3.0
129.03983	8.3
131.01909	14.5
132.02014	1.4
133.03479	28.0
137.02959	14.9
137.50734	1.2
138.53514	2.1
139.03416	1.4
140.02296	1.2
142.03505	2.8
143.00204	1.6
143.01921	24.9
144.02016	2.3
144.99805	3.3
145.01613	2.8
145.03455	6.5
145.04953	4.6
145.52507	1.2
146.99632	2.3
147.01385	1.3
147.05095	6.3
147.54077	3.0
148.03822	1.3
149.02975	2.1
151.04427	1.6
153.53996	1.4
155.01901	4.5
156.02077	2.3
157.01553	2.8
157.03459	5.3
158.03603	1.6
158.99686	3.1
159.01405	2.8
161.02974	43.7
162.03116	2.1
162.54594	1.6
163.02635	1.8
163.04457	1.7
168.99818	13.2
171.01393	7.3
173.02989	12.5
173.06551	1.2
174.03142	3.3
174.54623	2.3
174.99272	1.7
175.00919	1.2
175.02737	3.3
175.04472	4.9
176.04807	1.2
177.02582	2.5
177.04179	8.2
183.04990	5.5
183.55144	6.4
184.04863	4.4
185.03006	5.3
186.04701	6.8
187.00899	34.7
187.04510	3.8
189.00871	2.4
189.02443	13.3
191.03992	10.4
192.05528	3.3
192.55708	9.4
193.03658	2.6
193.05446	4.7
196.99283	8.5
199.00891	7.2
199.06209	1.9
201.00760	1.7
201.02470	5.0
203.03854	3.2
203.05356	3.6
205.01988	13.0
207.03506	3.9
213.03314	2.1
215.00383	43.9
217.01950	13.7
219.03520	7.4
221.05119	2.9
227.04218	1.8
229.01981	11.8
231.03481	3.3
232.03650	1.5
233.01477	2.9
239.06195	1.6
247.03027	39.7
250.05400	1.8
259.02997	2.0
265.03995	8.9
267.00247	2.6
280.06201	3.1
289.03979	7.3
289.09198	13.9
289.15280	4.4
307.05029	6.0
312.05756	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01862	3.2
56.49948	1.2
56.96556	5.4
57.03429	5.3
61.02932	11.4
69.03440	12.0
69.22829	4.2
69.23251	8.1
70.03745	1.3
70.06594	4.4
70.99844	2.0
71.04999	1.8
73.02918	14.3
77.00916	1.7
77.23669	1.1
81.03438	8.0
81.04543	6.4
82.99825	6.5
84.08141	1.6
85.02911	23.0
86.03252	1.5
89.00864	1.4
95.04934	2.4
97.01392	5.4
97.02890	12.2
98.97598	10.1
99.04443	4.6
100.07618	1.4
101.00891	67.1
102.00969	1.8
105.03402	20.7
106.03771	1.8
109.02857	6.2
110.97549	1.3
113.00910	7.8
114.06638	1.6
115.02444	27.3
116.98611	3.3
117.03921	1.4
119.01927	100.0
120.02026	2.1
121.01595	1.2
124.95522	1.5
126.98767	3.0
127.02419	2.5
127.03902	23.7
127.05021	11.8
128.02333	2.2
128.98613	2.4
129.03969	8.1
129.10199	1.4
131.01909	18.7
133.01674	1.6
133.02554	2.2
133.03484	31.3
137.02980	12.6
140.02316	1.5
142.03316	1.4
143.00192	1.7
143.01923	30.1
144.02025	2.2
144.99854	5.8
145.01643	2.6
145.03444	7.5
145.04921	3.5
147.01329	1.9
147.05038	6.7
149.02948	4.2
151.04520	3.5
155.01843	5.7
157.01654	1.5
157.03459	4.6
157.58900	1.4
158.03603	1.6
158.99657	3.1
159.01402	2.8
161.02969	54.9
162.03232	2.6
163.02693	2.0
163.04446	2.2
167.02016	1.6
168.03627	1.9
168.99832	17.3
170.99855	1.7
171.01341	9.1
172.99330	1.5
173.02959	16.6
174.03136	3.0
174.54610	2.8
174.99127	1.7
175.00821	1.4
175.02672	2.5
175.04480	3.6
175.11952	1.8
176.56201	2.3
177.02533	2.5
177.04158	5.9
179.02312	1.4
179.03973	1.8
183.05038	5.3
183.55139	4.9
184.04877	4.4
185.02960	4.7
186.04666	7.2
187.00891	30.9
187.02589	1.9
187.04526	4.0
189.00879	1.9
189.02466	12.9
191.04044	10.4
192.05537	3.6
192.55751	7.5
193.00154	2.5
193.05525	2.9
196.99306	8.9
198.55627	3.9
199.00859	9.2
200.04448	1.5
201.00752	2.0
201.02444	7.7
203.03842	3.4
203.05473	2.5
205.01962	10.5
205.03746	2.0
207.01732	1.5
207.03491	3.4
207.55521	1.8
209.17722	1.2
213.03294	3.8
215.00392	43.4
217.00388	1.3
217.01987	11.8
219.03555	9.6
220.99878	1.3
221.04976	1.7
222.05219	1.4
223.02943	1.4
227.04092	1.6
229.01965	12.5
231.03520	4.2
233.01443	4.5
238.01878	1.5
245.05103	1.7
247.03029	41.9
250.05115	1.5
259.03052	1.9
265.03925	7.5
267.00220	2.1
270.04498	1.8
277.03864	1.2
280.06082	2.2
289.04160	7.8
289.09167	11.6
289.15189	3.6
307.05161	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	288.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01876	0.9
55.05515	1.6
56.05042	7.2
57.03436	2.0
68.05042	0.6
69.03427	2.1
70.06593	5.5
71.05004	0.8
71.54800	0.5
72.08160	13.7
72.93800	0.8
73.02917	0.7
74.06085	100.0
78.22901	0.5
81.03424	5.0
84.04513	6.0
84.08149	1.9
85.02913	2.2
86.06072	1.6
86.09711	12.4
86.10241	0.7
95.04963	0.5
97.02911	3.2
98.06059	10.6
98.97611	1.4
99.04466	0.9
102.05548	6.2
109.02888	13.7
109.03594	1.0
111.05553	1.2
114.05555	0.7
116.07100	48.3
120.06588	14.0
123.04426	0.6
126.05538	0.8
127.03931	2.4
129.10263	0.6
132.95804	0.9
134.52762	0.5
135.04414	1.1
137.05975	0.7
144.06569	34.7
145.04991	1.5
145.16434	0.5
147.04483	1.2
151.66957	0.5
155.97485	0.9
157.06201	0.6
162.07651	3.5
163.03917	3.0
167.07190	0.8
172.08041	1.0
174.96893	0.7
175.04610	0.6
175.12059	0.8
177.05597	0.8
178.48174	0.7
185.03888	0.9
185.16484	5.7
189.12373	2.8
213.16049	3.2
228.08629	2.5
240.08771	2.6
246.09723	4.0
256.13809	0.6
270.09753	10.3
288.06268	1.3
288.11023	3.0
288.16492	3.3
288.20358	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	288.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.05499	0.4
55.31973	0.3
55.93543	0.4
56.05038	7.1
56.05660	0.3
57.03433	1.5
69.03434	1.2
70.06602	2.7
71.33845	0.6
72.08158	3.5
72.30126	0.3
74.06082	100.0
75.83051	0.3
79.05516	0.5
81.03418	4.1
81.07039	0.4
84.04505	5.4
84.08154	0.5
85.02926	1.5
86.06069	1.2
86.09714	2.6
89.25092	0.3
97.02892	2.4
98.05418	0.5
98.06060	10.6
99.04459	1.0
102.05550	6.1
105.09622	0.3
109.02127	0.7
109.02885	13.6
111.05582	0.6
114.05553	0.9
116.07097	46.4
120.06585	14.0
120.07284	0.2
123.04348	0.3
124.07578	0.4
127.03943	1.7
131.38617	0.3
144.06566	34.0
145.04979	1.4
155.03403	0.4
155.97481	0.6
161.18733	0.3
162.07642	2.8
175.11905	0.6
185.03857	0.3
185.16539	1.5
189.12277	0.5
210.07690	0.3
213.16087	0.5
228.08694	2.4
240.08673	3.1
246.09738	2.3
252.08826	0.4
270.09760	9.0
288.02139	0.3
288.06003	0.9
288.10947	3.6
288.16656	0.7
288.20306	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1125
Annotation	Isohomoarbutin
Peak:m/z	Relative Intensity
50.94487	1.2
53.03932	2.3
55.01870	1.4
57.03433	10.5
61.02934	9.9
65.03944	7.5
65.26147	1.1
66.16610	1.1
67.05503	3.7
67.13555	1.0
70.06589	2.5
70.63751	2.8
70.64098	1.6
75.04478	11.4
79.05495	17.7
81.03403	2.4
81.07060	6.7
85.02905	2.1
91.05471	4.3
93.03415	16.6
95.04953	3.8
95.06145	1.5
96.06881	14.2
97.02908	1.5
97.06524	1.2
97.07648	1.6
98.20802	1.2
105.03408	1.2
105.04482	1.4
107.04958	29.5
108.02053	1.4
109.06509	4.4
110.03664	21.6
111.04446	9.6
111.05574	2.7
116.07103	1.6
117.03375	1.5
119.04982	1.3
119.88610	1.1
121.06492	10.8
122.03629	4.0
123.04442	5.1
125.06005	100.0
125.07082	17.1
125.57965	1.0
133.02859	11.6
133.06569	1.4
135.04425	24.9
137.05986	6.6
141.05403	2.2
149.05980	21.3
150.03096	7.6
151.03917	86.7
151.05017	6.4
152.04688	2.4
153.05496	9.8
157.06052	1.4
162.03116	3.1
163.03873	11.7
163.07561	4.3
165.05490	29.8
167.07042	22.3
171.07652	48.1
177.05479	40.1
179.03418	1.3
180.04175	9.3
181.06516	1.3
181.08623	3.6
183.06479	2.4
188.94269	1.4
193.04947	2.7
195.06531	23.1
199.09673	14.0
205.08621	2.1
213.07593	15.3
225.07567	12.9
233.08072	1.4
269.10251	7.0
269.14908	22.0
287.05603	3.3
287.11124	52.5
287.16003	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	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.05508	0.4
58.44533	0.2
58.71833	0.2
67.05508	0.9
68.99795	1.7
69.03437	0.3
69.07050	0.3
69.20522	1.2
69.20934	0.6
79.05499	1.0
81.03409	0.3
81.07077	0.9
82.25826	0.2
83.04980	0.2
91.05490	0.5
93.07047	0.8
95.04980	0.3
95.08609	0.9
98.20704	0.4
102.18539	0.2
103.05489	0.3
105.03403	1.1
105.07022	0.5
107.04964	1.2
107.08596	0.5
109.02857	0.6
109.10174	0.3
111.00820	1.2
111.04437	0.3
117.06986	0.4
119.08538	0.4
121.02879	6.4
121.03849	0.3
121.06505	0.2
121.10114	0.4
131.08540	0.2
133.02846	0.8
133.10161	0.4
135.04466	0.2
135.11737	0.3
137.02365	1.9
141.06993	0.3
145.06474	0.5
145.10237	0.3
147.04420	1.1
153.01842	8.6
157.06531	1.3
157.10135	0.3
159.11685	0.3
161.06004	0.3
165.01839	2.9
165.03131	0.4
171.04414	0.3
173.05931	0.3
183.02957	1.7
185.05988	0.9
189.05470	0.3
197.05966	0.5
213.05492	2.6
213.08839	0.2
213.16327	0.2
215.18031	0.3
217.05156	0.3
226.52162	0.2
231.06493	1.4
233.18991	0.3
241.04965	1.4
251.20108	0.4
258.05234	2.1
259.06085	0.6
269.04510	0.3
287.05515	100.0
287.23587	0.5
288.05914	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.1
54.24956	0.1
55.01865	0.2
55.05507	0.2
65.03937	0.2
67.01858	0.3
67.05489	0.4
68.99438	0.2
68.99789	1.7
69.03419	0.3
70.67902	0.1
70.68246	0.1
71.01353	0.1
71.04984	0.2
71.64428	0.1
75.04835	0.1
79.05492	0.8
81.03420	0.5
81.07056	0.5
83.08596	0.1
85.02910	0.1
91.05487	0.2
93.03413	0.1
93.07047	0.3
95.04964	0.4
95.08611	0.4
97.02930	0.1
97.06522	0.6
97.10144	0.1
103.05494	0.2
105.03381	0.7
105.07027	0.3
107.04965	1.0
107.08611	0.2
109.02892	0.7
109.06497	0.1
109.10148	0.3
111.00811	1.3
111.04428	0.2
115.05493	0.1
117.06999	0.2
119.04956	0.2
119.08576	0.2
121.02870	5.8
121.03912	0.2
121.06491	0.2
121.10123	0.2
123.07985	0.1
127.03870	0.3
128.06203	0.1
129.07025	0.2
133.02853	0.9
133.10121	0.1
135.04411	0.3
135.08025	0.4
137.02344	2.1
141.06969	0.2
143.08505	0.1
145.06480	0.6
145.10091	0.1
147.04433	1.1
147.11708	0.1
149.13269	0.1
150.41269	0.1
153.01833	9.1
155.06116	0.1
157.06485	1.1
159.11713	0.2
161.05984	0.3
161.13222	0.1
163.03912	0.1
165.01837	3.4
169.06502	0.1
171.03056	0.1
171.04414	0.6
173.13326	0.1
177.12790	0.1
183.02888	1.5
185.05984	1.2
189.05469	0.2
195.13850	0.2
197.06061	0.2
199.04074	0.1
203.03374	0.2
203.07050	0.3
212.04947	0.1
213.05476	2.8
216.04237	0.2
217.04900	0.1
229.05020	0.3
231.06528	1.1
241.04990	1.5
243.06546	0.2
258.05255	1.9
259.06052	0.6
263.05585	0.1
269.04465	0.3
269.17435	0.1
269.22604	0.2
287.05499	100.0
287.23438	0.5
288.05753	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.1
55.01862	0.1
65.03939	0.2
67.01854	0.2
68.14971	0.1
68.99438	0.1
68.99789	1.6
69.03419	0.2
69.07069	0.1
69.76492	0.4
71.01363	0.1
79.05495	0.4
81.03402	0.4
81.07050	0.2
85.90775	0.1
93.03392	0.1
93.07076	0.1
95.01334	0.1
95.04960	0.4
95.08603	0.1
97.02911	0.1
101.90240	0.1
103.05459	0.2
105.03381	0.8
105.07039	0.1
107.04967	1.0
107.08654	0.1
109.02889	0.6
109.10126	0.1
111.00809	1.5
111.04428	0.2
115.05462	0.1
117.07076	0.1
119.04922	0.1
119.08599	0.1
121.02873	5.6
121.03899	0.3
127.03918	0.2
129.07013	0.4
133.02844	0.8
133.10107	0.1
135.04379	0.3
137.01363	0.1
137.02348	1.9
141.07018	0.3
143.04971	0.2
145.06500	0.5
147.04407	1.4
153.01831	9.3
157.06502	1.0
159.11755	0.1
161.05994	0.3
163.03909	0.1
165.01842	3.3
169.06473	0.1
171.04456	0.6
173.05952	0.1
173.42685	0.1
175.03915	0.2
175.07568	0.1
183.02910	1.2
185.05971	1.0
189.05466	0.3
197.05945	0.2
199.03877	0.1
201.05475	0.1
202.06177	0.1
203.03442	0.1
203.06995	0.3
213.03419	0.2
213.05460	3.1
217.04865	0.1
229.05049	0.4
231.06523	1.3
241.04941	1.5
243.06435	0.2
245.04427	0.1
252.23969	0.1
258.05264	2.0
259.06079	0.8
269.04370	0.4
286.04645	0.1
287.05496	100.0
288.05731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Cyanidin
Peak:m/z	Relative Intensity
65.03923	0.2
68.99797	1.4
69.03437	0.2
70.65888	0.5
79.05487	0.5
81.03431	0.4
81.07066	0.2
91.05470	0.2
93.07114	0.2
95.04973	0.5
103.05434	0.2
105.03393	0.7
105.07011	0.2
107.04968	1.0
109.02879	0.7
111.00824	1.5
111.04472	0.2
115.05392	0.2
117.07008	0.2
119.04922	0.2
119.08559	0.2
121.02000	0.3
121.02876	5.7
121.03866	0.3
129.07045	0.2
133.02817	0.9
135.04462	0.2
137.02344	1.6
139.39865	0.2
141.07007	0.2
145.06494	0.5
147.04433	1.1
153.01836	8.6
157.06519	0.9
163.16373	0.2
165.01860	2.9
169.06596	0.2
171.04434	0.6
183.02911	1.2
185.06017	0.9
197.05995	0.3
203.07175	0.2
213.05470	2.3
213.70863	0.2
218.08318	0.2
229.04933	0.3
231.06488	1.0
241.04933	1.3
243.06555	0.2
258.05273	2.0
259.06049	0.5
269.04401	0.2
287.05508	100.0
288.05771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34932	0.1
65.03938	0.2
65.12666	0.2
67.01863	0.2
68.99796	1.8
69.03426	0.2
69.42619	0.9
69.43034	0.3
70.23947	0.1
76.61997	0.1
79.05482	0.5
81.03412	0.3
91.05510	0.1
95.04945	0.3
103.05477	0.3
105.03369	0.8
107.04957	1.1
109.02867	0.6
109.10091	0.1
111.00822	1.5
111.04430	0.3
112.95518	0.1
115.05471	0.2
121.01990	0.3
121.02872	5.9
127.03823	0.2
129.06963	0.3
133.02844	0.8
135.04408	0.3
137.02335	1.9
141.07013	0.3
145.06494	0.3
147.04404	1.2
150.28355	0.1
153.01834	9.2
157.06491	1.0
161.05971	0.2
165.01836	3.8
171.04405	0.8
175.03926	0.2
175.07327	0.1
183.02872	1.5
185.05965	1.1
186.85422	0.1
189.05467	0.2
197.05905	0.2
203.07072	0.2
213.05464	2.8
229.04958	0.3
231.06503	1.4
241.04942	1.4
243.06465	0.2
258.05258	2.2
259.06030	0.9
269.04416	0.4
287.05499	100.0
288.05814	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01867	0.7
55.05507	2.4
56.05027	1.4
56.96569	3.9
57.03438	2.5
59.05006	2.9
61.02929	6.2
68.05030	0.9
69.03441	3.7
69.54711	3.7
70.06598	15.7
70.98164	0.5
71.05002	5.8
72.08157	1.0
73.02910	1.1
75.80363	0.4
79.05495	2.8
79.05920	0.6
81.03423	1.3
81.04548	0.8
81.07063	12.4
82.05353	1.4
83.06103	9.4
83.40458	0.6
83.41544	0.5
84.04532	0.6
84.08202	0.7
85.02911	7.3
87.04483	1.2
87.08099	1.4
93.04542	6.1
95.06094	15.4
97.02895	3.9
97.06542	0.5
98.20827	1.0
98.97593	12.0
99.04456	0.6
99.97925	0.7
100.07618	1.0
106.06643	0.5
107.06087	2.3
109.02895	1.2
109.05246	0.5
110.07172	100.0
110.97578	2.1
111.05573	3.3
112.07616	15.0
112.08730	3.0
112.99155	0.6
113.09671	0.7
116.07117	0.5
116.98627	2.7
119.06101	0.8
120.06886	0.5
121.07589	1.4
124.07589	2.2
124.99114	0.8
127.03947	2.5
128.02365	1.5
128.98636	1.3
129.95009	0.5
130.08693	0.7
136.08702	1.4
140.07076	9.6
143.00174	2.8
145.04976	1.2
156.06403	0.8
156.07697	13.4
157.09814	1.0
158.99687	2.5
160.06531	0.8
161.01230	1.1
162.43701	0.5
163.02769	0.8
163.12315	52.9
166.06122	2.0
168.05417	1.2
170.99677	0.7
173.01227	1.3
177.00732	1.8
180.03516	0.6
185.01277	1.3
189.00749	0.8
190.04979	1.9
190.13406	10.7
193.13382	1.2
196.04863	0.6
201.00792	1.1
203.02307	1.2
205.05542	1.0
205.07265	0.8
208.14455	12.5
209.12852	0.6
210.16058	1.0
215.00285	0.5
219.01756	2.6
219.11308	2.0
236.13951	9.8
237.02905	1.0
240.13368	0.8
240.17113	7.4
242.18703	0.8
254.15016	22.0
261.02847	0.6
268.16620	0.6
277.07559	0.6
286.07925	1.5
286.17627	88.3
287.10977	0.8
287.17810	0.7
309.08588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01867	0.9
55.05516	2.4
56.96566	5.4
57.03434	3.4
57.07073	1.3
59.04994	1.4
61.02927	6.1
67.05520	0.8
68.05042	0.7
69.03432	9.8
69.07073	1.5
70.06593	10.1
70.31970	1.4
70.32327	0.5
70.98141	0.6
71.04999	4.5
71.08623	0.7
72.08159	2.8
72.08491	0.4
73.02924	2.8
79.05478	2.8
80.05032	0.5
81.03429	4.6
81.07067	7.1
82.05312	1.2
83.01359	0.5
83.04986	0.7
83.06105	4.6
84.04506	1.2
84.08144	1.0
84.96024	0.9
85.02907	23.3
85.06535	0.9
86.09709	1.3
87.04467	1.9
87.08115	0.9
88.03970	0.7
91.03960	1.4
93.04525	2.8
95.06098	9.1
96.04476	1.6
96.06393	0.8
97.02901	9.4
97.06557	0.8
97.96838	0.4
98.97594	13.6
99.04459	2.0
99.08083	0.6
100.07613	0.7
102.96854	0.5
105.07021	0.6
106.06560	72.3
107.06077	1.4
109.02882	2.6
110.07171	48.1
110.97573	2.9
111.05580	4.6
112.07620	6.5
112.08720	1.4
112.99159	0.6
116.07085	4.3
116.98616	4.4
119.01883	0.5
121.07612	1.1
124.07596	100.0
124.99172	0.6
125.05993	1.4
127.00685	0.7
127.03916	4.2
128.98619	2.3
130.08684	0.6
131.00174	0.9
134.02328	0.8
134.99663	1.4
136.08704	1.7
140.07083	4.6
141.10202	0.5
143.00171	1.6
143.02837	0.8
143.11821	0.7
145.01782	0.7
145.04964	2.6
146.99629	1.0
156.07703	6.9
158.99689	3.2
159.03265	0.7
159.04881	1.1
161.01253	1.9
161.02823	0.6
161.04741	0.7
162.03560	0.6
162.05461	0.8
163.12309	24.9
164.07059	2.2
165.07889	0.6
166.06190	0.7
168.05464	1.4
168.13872	1.3
170.99658	0.8
171.07574	0.6
171.11334	0.8
173.01212	2.0
175.02783	0.9
176.03444	1.1
177.00697	2.5
181.04382	1.5
182.01715	1.0
182.09209	0.6
185.09241	1.6
186.04405	0.8
187.02776	1.2
189.00699	1.1
190.04924	7.5
190.13443	4.2
191.02277	1.1
195.57556	0.8
196.04922	1.3
197.02330	1.2
201.00638	0.8
203.02277	1.7
205.03778	1.1
205.05548	1.0
206.04388	1.6
208.14436	5.6
212.15126	0.7
213.07103	0.8
215.05949	0.6
219.01744	2.3
219.11299	1.6
225.05263	0.8
227.16399	1.0
235.06290	0.7
236.13937	4.4
237.02756	1.9
240.12289	0.5
240.17114	4.7
241.00110	0.9
254.01941	2.0
254.08852	1.0
254.15021	11.0
263.02679	3.0
268.16562	0.8
277.07794	1.2
281.01904	0.8
286.08179	4.2
286.12741	8.3
286.17603	45.2
286.20795	2.4
286.24112	2.0
286.58279	0.6
287.10989	1.1
305.09042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
51.02383	0.5
53.03949	1.0
55.01862	0.6
55.05263	0.7
55.05511	7.7
56.96539	0.6
57.03427	1.6
57.07070	1.1
65.03924	1.1
67.05508	27.9
69.03418	1.6
69.06785	0.5
69.07076	5.7
71.04985	0.9
71.19298	0.5
71.19624	0.7
77.03934	0.6
79.05070	1.0
79.05497	15.9
81.03413	1.0
81.07059	23.6
83.04954	1.9
83.08617	2.8
84.11430	0.5
91.05485	24.7
93.07049	31.1
95.04971	2.0
95.08610	13.8
95.11043	0.5
97.06538	2.0
97.10184	1.1
103.05461	0.7
105.04537	0.5
105.07034	26.1
107.04945	1.8
107.08596	17.1
109.06519	4.1
109.10162	25.1
111.11776	0.8
114.46066	0.6
115.05435	1.0
117.07025	8.5
119.08588	22.7
121.06538	0.9
121.10147	30.1
123.08087	2.7
123.11704	5.8
125.09616	4.5
128.06204	1.7
129.06995	5.1
130.07826	0.8
131.08577	15.2
133.06488	0.6
133.10144	18.1
135.08076	2.1
135.11705	14.0
137.09612	7.6
137.13264	1.3
139.11156	1.0
141.07004	3.1
142.07779	0.9
143.08569	11.0
144.09256	0.7
144.70117	0.5
145.10129	26.6
147.08034	1.1
147.11694	40.8
149.09627	5.9
149.13269	8.1
151.11159	4.7
155.08531	4.8
156.09341	0.7
157.10132	7.9
158.10866	0.7
159.10437	1.1
159.11700	14.8
161.09651	3.1
161.13264	18.7
163.11192	3.3
163.14876	3.2
165.06970	0.5
165.12770	1.0
168.09311	0.6
169.10126	4.7
171.11688	10.7
173.13264	12.2
175.11183	1.7
175.14819	7.6
177.12807	2.9
177.16406	0.9
183.11693	8.3
184.12471	0.8
185.13289	8.8
187.14830	14.8
189.12714	4.0
189.16380	0.9
191.14328	1.4
196.12314	0.6
197.13274	10.2
197.61623	0.4
198.14116	0.7
199.14824	20.6
200.15549	1.4
201.12787	1.2
201.16379	5.2
203.14297	2.1
211.14830	6.2
213.16380	4.6
215.14702	2.4
215.17973	16.8
217.15820	1.2
221.06110	0.6
223.14877	0.9
224.15565	0.6
225.16354	5.1
227.17958	2.7
229.15858	1.3
238.17221	1.8
239.17897	2.2
241.19556	2.6
243.17424	0.7
243.21112	10.3
253.08607	1.2
257.18869	0.6
257.22690	5.2
267.21097	44.6
285.22128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03942	3.8
55.01877	1.9
55.05514	8.8
57.03435	7.6
67.05502	15.3
69.03415	3.2
69.07056	3.6
69.40677	1.6
69.41090	5.5
71.04984	2.8
74.89243	1.0
79.05498	13.3
81.03423	100.0
81.07047	11.1
82.83189	0.9
83.04988	7.0
83.08153	1.2
83.08623	23.5
85.02929	5.1
85.06520	1.7
87.98034	1.0
91.05486	15.9
93.07047	9.7
95.04976	28.1
95.08608	4.4
97.02884	2.0
97.06491	1.9
97.10179	1.2
98.20792	1.8
105.07044	12.6
107.04946	5.3
107.08587	5.1
109.06519	5.3
109.07160	1.1
109.10152	3.1
111.04459	1.9
111.08099	11.3
114.70483	0.9
115.05426	1.0
119.08589	10.5
120.80935	0.9
121.06493	3.2
121.10162	6.4
123.08018	2.1
123.11707	1.0
129.07024	7.8
131.08572	7.9
133.06491	3.0
133.10130	5.2
135.11681	1.4
137.09607	2.1
142.07761	2.1
145.10165	1.4
147.07941	1.3
147.11702	7.4
149.09599	4.6
155.81018	0.9
157.10146	10.4
161.06026	1.1
165.07059	2.3
165.12788	2.7
175.11203	11.9
182.07289	0.9
189.16489	1.0
193.06438	1.4
193.12256	65.5
196.53845	1.1
210.06804	1.3
211.11493	1.8
211.13300	9.9
221.05977	2.5
225.09149	3.7
239.08232	1.0
248.44482	1.1
253.08636	8.4
267.15945	16.6
280.38757	0.9
285.03934	1.9
285.11118	6.4
285.16904	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
54.61211	0.7
55.01868	2.4
55.05307	0.7
55.05511	7.1
57.03442	7.1
61.74056	0.8
62.92535	0.7
63.56342	0.7
65.03951	0.7
67.05503	11.6
69.03419	3.0
69.07056	1.8
69.35729	5.9
70.02735	0.7
71.04983	2.9
79.05489	12.7
81.03420	100.0
81.07047	11.5
83.04981	6.0
83.08621	21.5
85.02902	3.3
85.06533	1.4
91.05483	15.3
93.07049	8.8
95.04977	28.0
95.08609	3.9
97.02882	3.0
97.06519	1.5
97.10133	1.1
98.20699	1.5
105.07040	9.6
107.04969	7.3
107.08581	3.1
109.06519	2.8
109.10162	2.0
111.04461	2.0
111.08083	11.3
112.42149	0.9
119.08577	9.7
121.06502	2.2
121.10168	4.4
123.08038	1.2
123.11764	1.0
125.09618	0.9
129.06999	7.5
131.08574	7.8
133.06493	3.2
133.10144	4.1
137.09665	1.1
142.07758	1.3
145.10138	1.0
147.08040	2.3
147.11699	5.4
149.09669	4.4
157.10132	11.7
165.06978	1.3
165.12755	2.2
175.09785	1.2
175.11215	13.4
193.12253	60.7
211.13336	7.0
225.09204	1.0
228.17337	0.9
229.05002	1.9
253.08627	2.9
267.15942	19.7
267.18881	1.1
285.04041	5.3
285.11230	3.9
285.17007	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	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03942	3.0
55.01876	3.2
55.05517	8.7
57.03446	8.9
67.05511	11.5
69.03434	2.7
69.07067	2.5
71.05006	2.2
71.19879	1.8
79.05495	13.1
81.03423	100.0
81.07066	11.4
83.04997	6.4
83.08627	20.4
85.02905	7.9
91.05495	15.5
93.07054	7.2
95.04974	25.7
95.08606	4.3
97.02910	1.9
97.06515	1.4
97.10191	1.8
105.07033	12.2
107.04958	6.2
107.08604	3.5
109.06516	3.5
109.10164	1.8
111.04463	1.2
111.08092	12.4
113.06004	0.8
115.05486	0.8
117.07025	1.8
119.08601	11.3
121.06535	1.0
121.10139	5.4
121.45279	0.8
123.08105	1.4
123.11727	1.4
128.06239	1.0
129.07010	7.4
131.08560	6.6
133.06529	3.3
133.10127	5.2
137.09653	2.6
142.07863	2.1
145.10144	1.4
147.08095	3.2
147.11670	8.7
149.09665	5.0
157.10121	11.1
165.01883	2.9
165.12787	1.7
165.49075	1.0
171.59380	0.8
175.11179	12.9
193.12259	60.0
211.13321	12.2
219.99966	0.8
225.09053	1.1
229.14410	1.0
235.01578	1.2
253.03552	1.4
253.08633	2.2
257.18912	0.9
262.03879	0.9
267.15903	17.8
285.11502	1.7
285.16974	12.7
287.05670	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.16760	0.5
53.03946	3.2
55.01879	2.1
55.05513	7.8
57.03444	6.2
67.05171	1.0
67.05515	12.7
69.03434	2.7
69.07078	4.2
70.75895	0.9
70.76237	1.4
71.04996	2.0
78.26187	0.6
79.05501	11.7
81.03424	100.0
81.07064	13.2
83.04994	4.6
83.08625	21.9
83.09122	1.2
85.02908	3.7
85.06544	1.4
91.05490	14.6
93.07043	7.5
95.04979	25.9
95.08617	6.5
97.02903	2.9
97.06548	1.6
97.10169	0.8
105.07043	12.1
107.04977	5.1
107.08600	3.4
109.06535	2.4
109.10185	1.5
111.04455	1.8
111.08101	11.0
115.05447	1.2
117.07016	1.3
119.04974	0.6
119.08585	10.1
121.06526	1.3
121.10149	6.6
121.21711	0.6
122.24091	0.6
123.08119	1.5
123.11723	1.5
129.07016	7.6
131.08577	7.3
133.06493	3.6
133.10143	5.0
137.09637	1.3
142.07770	3.4
145.10074	0.7
147.08101	2.4
147.11702	9.0
149.09644	3.7
152.04892	0.7
157.10153	10.9
165.07175	1.1
165.12776	2.7
171.11598	0.7
175.11192	10.7
193.12259	61.1
211.13312	8.1
221.06030	0.9
225.09204	2.3
253.08606	4.0
267.15955	17.5
267.18970	0.8
285.11407	1.9
285.16980	7.7
285.22131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.02094	0.6
52.80303	0.6
53.03955	3.5
55.01872	2.2
55.05509	7.7
57.03445	8.0
57.07070	0.6
67.05507	13.5
69.03443	3.5
69.07068	3.9
70.89362	1.8
71.04987	2.9
79.05495	12.7
81.03421	100.0
81.07062	15.1
83.04996	5.6
83.08622	22.7
85.02911	7.3
85.06541	1.5
90.44898	0.7
91.05486	15.1
91.05965	0.7
93.07053	8.6
95.04974	28.9
95.08615	5.4
97.02883	2.3
97.06521	1.7
97.10183	2.2
98.98413	0.6
99.08106	3.0
105.07031	12.5
107.04963	6.7
107.08613	4.2
109.06516	3.1
109.10172	2.8
111.04455	3.1
111.08099	11.1
113.06008	0.7
115.05473	0.9
117.07014	1.6
119.08589	12.0
120.75289	0.7
121.06541	1.6
121.10155	6.2
123.08115	1.6
123.11723	1.4
127.07578	0.6
129.07021	8.9
131.08574	8.2
133.06520	2.8
133.10139	4.8
135.11784	1.0
137.09637	1.5
141.05481	0.6
142.07806	2.5
143.08621	0.7
145.10172	1.7
147.08064	3.2
147.11690	8.6
149.09630	4.9
157.10121	11.9
161.05994	2.2
165.07047	2.4
165.12814	3.1
175.11176	13.8
175.12541	1.1
182.07312	1.4
187.14822	0.7
193.06549	2.3
193.12251	64.7
210.06825	1.7
211.13289	12.1
221.06088	3.0
225.09119	5.6
229.14256	0.9
238.06358	0.8
239.07214	0.8
249.14792	1.1
253.08606	10.8
253.11035	0.8
254.09415	0.9
267.15921	17.2
285.07898	1.3
285.11417	5.9
285.16928	12.7
285.22052	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01855	4.7
55.05512	22.5
57.03442	30.1
57.07069	3.5
63.24359	1.6
65.03956	2.0
65.60380	1.5
67.05510	51.7
69.03437	8.2
69.07071	19.6
69.70341	1.3
71.04993	9.0
71.34594	2.9
79.05498	50.0
81.03420	48.9
81.07061	85.8
83.04985	21.1
83.08621	20.6
85.02914	15.2
85.06519	6.5
86.77335	1.5
87.04444	5.0
91.05482	53.0
93.06485	2.4
93.07043	36.3
95.04974	52.5
95.08061	2.4
95.08614	32.0
97.02883	2.2
97.06542	13.1
97.10159	3.3
99.08100	4.2
100.11233	3.7
101.02355	1.7
103.05470	1.5
105.04538	1.6
105.07037	46.0
107.04929	6.9
107.08589	26.7
109.06514	15.3
109.10165	15.0
111.04429	7.0
111.08085	8.2
113.05994	2.7
114.09121	2.3
115.05442	3.5
117.07012	5.1
119.08581	36.6
121.06483	1.6
121.09329	1.8
121.10152	22.2
123.08053	7.3
123.11710	16.4
125.09612	6.5
127.07558	2.6
129.06992	12.7
131.08589	14.4
133.06439	4.3
133.09109	2.6
133.10124	28.9
135.08083	10.1
135.11742	7.9
135.12578	1.4
137.05956	2.1
137.09598	4.2
142.07747	3.5
143.08531	4.6
145.10081	5.4
146.03560	1.8
147.08043	3.6
147.11700	52.3
149.09633	10.7
149.13347	1.7
151.07529	1.7
151.11166	14.3
153.07021	2.0
153.12732	1.5
157.10127	15.4
159.11673	3.5
161.05968	6.8
163.11156	2.5
165.07007	11.3
165.09128	1.6
165.12762	27.9
167.74602	1.4
169.10130	2.5
171.11658	3.6
171.15273	1.7
173.09644	2.7
173.13332	2.5
175.11176	20.3
178.07671	1.4
179.08502	1.9
181.06485	2.4
182.07260	4.0
183.11696	2.6
183.13791	2.5
185.13342	2.9
193.06493	9.5
193.12257	50.2
198.21301	1.6
199.14835	1.7
203.14465	1.8
203.17920	1.9
210.06750	7.7
211.13297	26.5
221.05934	11.1
225.09128	24.6
227.17879	1.6
229.14236	3.7
238.06256	4.9
253.08606	42.7
254.09232	2.3
267.15848	10.8
267.21143	3.1
285.11404	23.5
285.16925	100.0
285.22076	10.2
285.24777	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	285.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.3
55.01870	4.8
55.05509	9.2
57.03439	10.6
65.03937	2.3
67.05505	15.1
69.03423	7.7
69.07071	4.8
70.06602	7.8
71.04996	13.9
71.09194	2.1
71.09515	1.9
72.04555	1.3
72.08152	2.6
75.04462	2.4
79.05496	16.1
79.21198	1.3
79.27556	1.3
81.03420	100.0
81.07051	12.8
83.04989	8.8
83.08624	25.6
84.04485	1.6
84.08138	2.8
85.02915	5.2
85.06536	4.2
85.98382	1.2
86.09716	4.0
91.04962	2.5
91.05485	29.8
93.07054	11.2
94.06567	4.1
95.04976	33.0
95.08607	8.2
97.02896	9.7
97.06563	3.2
99.04469	7.4
100.11267	1.5
103.05472	3.6
105.03381	2.9
105.07038	25.3
106.04201	2.4
107.04958	12.8
107.08595	4.5
109.02875	20.9
109.06514	7.6
109.10149	3.8
110.07153	2.3
111.04440	2.3
111.08080	9.6
113.05984	10.6
114.05521	2.2
115.05470	4.7
117.07017	3.0
117.26404	1.3
118.04161	2.4
119.04940	20.8
119.08591	12.2
121.06515	13.7
121.10151	6.0
122.06048	5.0
123.04420	6.2
123.05246	1.3
123.08051	4.6
125.00034	1.7
125.05997	3.4
125.09621	1.7
127.03918	9.0
129.07010	11.3
130.06563	1.5
131.04953	2.3
131.08543	7.3
133.06488	16.9
133.10132	5.5
134.03613	3.0
135.04402	7.0
135.08034	2.8
136.05206	4.8
137.05962	6.2
137.09659	1.9
139.07535	1.4
140.04657	9.9
141.05479	8.6
142.07770	2.3
143.08531	2.4
145.04964	4.9
145.10092	2.8
146.03651	2.9
147.04408	4.5
147.08040	3.9
147.11710	9.7
149.05975	17.2
149.09601	4.6
150.06732	1.7
151.07562	12.1
152.04704	1.9
153.05470	74.6
153.06726	3.6
154.06261	1.4
157.10130	7.2
159.06541	2.5
159.08023	1.6
161.05992	40.3
161.09550	2.0
163.03992	1.8
165.05652	2.2
165.07001	9.7
165.12804	2.9
167.07057	16.1
168.07829	71.4
170.06009	2.2
175.11185	12.0
177.05452	3.1
178.06209	2.1
179.07077	7.7
180.80946	1.4
181.06442	2.4
181.08582	4.4
185.09489	1.6
189.12776	1.8
191.10585	1.4
193.06561	6.6
193.08611	37.9
193.12250	48.9
194.07239	2.2
196.07317	56.6
197.09604	1.5
199.07632	1.4
202.60924	1.4
207.65373	1.3
209.08038	8.2
210.06723	8.8
210.08606	2.3
211.09659	64.7
211.13190	5.2
221.06029	10.3
221.07845	2.2
224.08244	2.3
225.09088	18.6
238.06300	3.0
249.14658	1.6
253.08641	30.3
267.10333	2.2
267.15814	18.5
270.08539	1.6
272.87009	1.6
285.08398	3.8
285.11240	28.6
285.16064	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1121
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
50.72492	0.6
55.05561	0.7
55.68466	0.5
56.96609	0.8
57.03482	0.9
63.18735	0.5
67.05570	1.5
69.03515	1.7
69.07120	1.4
69.35194	4.8
70.06670	1.8
71.05068	1.7
79.05568	2.2
79.29717	0.5
81.03424	5.5
81.07130	1.6
83.05048	0.9
83.08707	1.9
85.02981	1.6
85.06606	0.6
85.23069	0.6
89.04012	0.9
91.05564	2.2
93.07108	1.2
95.05064	2.5
95.08665	1.4
97.02398	0.6
97.02978	2.0
97.06601	0.9
98.21528	1.1
98.97663	2.4
99.04519	1.2
103.05555	1.7
105.07010	2.7
106.52370	0.5
107.05048	1.4
107.08665	1.4
109.02953	2.0
109.06604	1.4
109.10207	0.7
111.04520	0.9
112.07674	0.6
113.06092	0.7
115.05526	1.1
116.98685	0.6
117.03422	0.8
119.05020	1.2
119.08674	1.8
121.06571	2.0
122.99137	0.6
123.04539	2.0
123.08147	0.8
127.03975	1.3
129.07059	0.6
131.05017	1.7
131.08649	0.7
133.06583	1.8
133.10199	1.0
135.08144	0.6
137.05986	3.3
139.03946	0.6
146.03654	3.5
147.04495	0.8
147.08061	1.0
147.11731	0.8
149.06111	2.1
151.03882	0.7
151.07608	0.9
153.05568	0.9
153.07002	1.4
154.07884	1.8
157.10245	0.6
159.06610	0.7
161.05988	15.9
161.07199	1.0
163.07716	0.7
165.05609	1.3
165.06999	20.3
175.11307	0.6
179.08760	0.8
181.06477	3.3
181.12303	0.9
182.07297	6.9
183.06583	0.8
185.05640	0.7
191.07036	0.7
193.06494	18.5
193.08292	1.1
193.12271	2.8
194.07359	1.6
195.08096	0.7
197.09676	1.3
199.07568	0.6
205.67633	0.5
207.06499	1.1
207.08197	0.6
209.06090	0.8
210.06763	15.7
211.07565	1.9
221.05992	25.9
222.06740	1.4
224.16341	0.6
225.09113	35.1
227.07069	1.5
235.07513	0.6
237.37096	0.6
238.06245	9.6
239.07001	2.6
239.11720	0.6
249.14877	0.7
251.06860	0.7
253.08611	100.0
254.09355	3.9
255.06470	0.9
257.11694	1.2
262.61020	0.7
264.05896	1.0
267.15948	1.3
270.08795	2.8
285.11200	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1858
Annotation	Supinine
Peak:m/z	Relative Intensity
50.52391	0.3
53.41698	0.3
55.01875	0.4
55.05526	1.8
57.03422	0.6
61.41747	0.3
65.19507	0.4
67.05511	1.6
69.03428	0.8
69.07082	1.8
69.28642	0.6
69.29045	2.1
70.02961	2.5
70.06604	0.6
72.04522	0.5
79.05494	2.7
80.05022	0.5
81.03432	2.8
81.07057	3.1
82.06566	0.4
83.08617	1.0
84.04459	0.4
85.02907	2.1
86.06074	0.4
86.09704	0.9
88.03987	1.6
90.05541	0.6
91.05486	1.6
91.88548	0.3
93.07048	5.6
94.06573	1.1
95.04970	1.2
95.07331	0.6
95.08622	2.4
96.08152	0.4
97.02884	0.6
97.06516	0.5
98.06009	0.4
102.05531	0.6
105.07023	1.4
106.05029	0.4
107.04917	0.8
107.08589	3.1
108.07421	0.6
108.08125	8.9
108.08863	0.5
109.02876	0.9
109.08895	0.5
109.10143	0.9
110.06087	0.4
110.09676	1.3
111.08136	0.4
112.07657	0.4
113.06004	1.2
113.93100	0.3
115.09122	0.3
116.03451	0.8
118.05016	0.8
118.82425	0.3
119.08553	0.9
120.08158	0.5
121.02863	1.2
121.06528	0.5
121.10149	0.9
122.03199	1.3
122.09680	7.2
123.10461	1.3
123.11696	0.4
124.07590	0.3
127.03896	0.8
133.10146	0.5
134.09599	0.5
135.11713	4.0
136.11211	2.5
137.13214	0.6
138.09152	0.4
139.07506	0.4
140.10695	0.9
141.05374	0.4
145.04955	1.0
145.10216	0.4
147.11760	0.3
148.11290	0.4
150.12787	10.1
151.13579	6.9
151.14780	0.4
152.10721	0.7
153.12724	0.3
153.15088	0.4
154.06212	0.4
158.08194	0.5
164.14368	1.3
166.12337	0.9
166.15929	1.0
167.07062	1.7
168.06599	0.9
168.10146	0.6
170.08182	0.3
172.09760	0.4
176.14310	0.8
178.15942	4.6
179.14302	0.6
180.10251	0.7
182.08014	0.4
182.09433	0.9
182.15431	0.3
184.09708	0.6
186.11276	1.3
193.12271	0.9
194.15437	2.9
195.16185	0.5
196.09686	0.9
198.11209	0.5
203.98061	0.3
210.09044	0.7
210.11298	2.2
210.14885	3.7
211.12054	0.6
212.12762	0.6
212.16418	0.3
222.14932	0.8
238.14429	1.0
240.15964	100.0
241.16307	1.3
242.17543	5.1
253.08258	0.4
266.08322	0.6
266.10999	0.4
266.18365	0.4
269.08521	0.3
284.09918	1.2
284.18579	73.4
285.57248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01865	3.2
55.05503	2.2
56.96574	4.2
57.03433	5.8
57.07068	1.0
59.05007	18.3
61.02649	0.9
61.02931	13.6
62.01426	0.8
65.03400	0.8
67.05487	1.5
68.05018	3.4
69.03082	1.5
69.03433	19.9
69.07072	11.4
70.06255	1.1
70.06600	15.5
71.04991	6.7
71.08631	0.9
71.53852	0.9
72.08155	7.2
73.02924	6.0
74.06085	1.3
77.06032	2.0
79.05489	2.9
81.03424	7.8
81.07065	9.8
82.06580	0.8
83.04981	1.1
84.04496	1.2
84.08138	2.3
85.02911	100.0
85.06541	1.5
86.09706	1.8
87.04480	6.3
87.08103	4.4
91.03966	6.1
95.06100	61.5
95.08581	0.8
96.04537	0.8
97.02901	25.6
97.06529	2.0
97.07660	6.0
98.06035	1.1
98.97603	7.3
99.04476	4.8
100.07600	1.5
101.02380	0.8
103.03920	1.5
105.05526	13.7
105.09137	2.9
109.02890	9.0
110.03556	1.3
110.07159	3.2
110.97573	1.2
115.03954	1.2
116.07083	2.2
116.98611	3.2
117.62843	0.7
119.01866	1.9
122.08131	1.3
122.09662	2.2
124.07573	1.2
125.03469	0.8
125.06007	3.4
127.03933	27.2
128.02327	1.3
128.98618	1.3
131.01823	0.8
135.03014	3.5
136.06209	2.8
136.07570	1.2
141.10257	4.1
145.04970	52.9
151.06050	1.9
151.12323	12.0
152.05690	88.9
153.04068	4.7
158.99673	2.5
161.02908	1.1
162.05598	0.8
163.06039	17.1
167.11803	2.1
168.07648	0.9
169.09732	6.1
171.07579	1.2
173.05684	1.1
177.00713	2.8
180.05206	1.0
180.08656	3.1
181.04572	1.4
182.06122	2.0
188.05281	1.0
189.00874	0.9
190.04926	5.3
190.55173	0.9
193.13393	11.5
197.05692	1.8
201.00813	1.1
213.12334	2.8
219.01828	2.9
221.05141	1.0
225.15996	58.8
233.06993	1.1
237.02847	1.3
248.09453	0.9
252.20743	4.0
254.08002	0.8
256.13141	0.9
261.02698	0.9
267.10736	2.1
279.04004	1.1
284.06146	1.0
284.11224	4.6
284.16110	4.6
284.23343	79.9
284.29385	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	283.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.01861	4.8
55.05269	2.0
55.05513	33.2
56.96565	1.9
57.03429	4.6
57.07075	14.9
59.04992	1.7
63.87164	1.1
65.03942	1.8
67.05506	43.9
69.03427	3.5
69.07069	57.6
71.04993	15.1
71.08628	6.2
79.05489	19.5
81.03416	8.8
81.07058	94.9
83.04988	6.3
83.08617	41.8
84.08110	1.2
85.02901	3.4
85.06550	7.1
85.10191	2.1
87.04459	2.5
89.06033	4.2
91.05466	11.0
93.07044	31.9
95.04971	5.9
95.08608	100.0
97.02876	2.5
97.06536	4.5
97.10166	20.9
98.20736	3.0
98.97580	4.7
99.04421	2.0
99.08112	4.6
105.07021	11.8
107.04970	13.7
107.08598	24.4
108.08925	1.1
109.06528	3.3
109.10161	59.6
111.04469	3.0
111.08084	3.9
111.11723	17.3
113.09643	3.2
116.98669	1.7
117.07012	5.0
119.08574	12.1
121.06447	1.5
121.09319	2.1
121.10149	26.7
123.04449	1.7
123.08047	3.2
123.11707	29.9
125.05988	7.0
125.09624	2.2
125.13265	8.5
127.11195	1.8
128.06281	1.4
129.07022	2.0
131.08562	6.7
133.10126	7.8
135.08072	1.8
135.11693	19.7
137.13251	16.6
139.11182	6.0
139.14832	2.4
143.08560	2.5
145.05005	1.4
145.10124	12.6
147.08018	1.7
147.11710	6.4
149.09579	1.3
149.13272	10.0
151.14809	9.4
153.12761	3.8
157.10120	4.0
158.99744	1.4
159.11671	6.4
159.71475	1.2
161.09607	1.7
161.13322	3.2
162.02838	1.2
163.11198	8.9
163.14859	7.8
165.16431	3.7
169.10155	1.8
171.11763	1.7
173.09576	1.6
173.13277	5.5
175.14742	1.6
177.16414	7.0
179.17934	1.4
181.12210	4.5
183.11697	1.8
183.17416	1.8
185.13327	2.2
187.14861	3.0
189.16316	1.8
191.10638	3.3
191.17960	5.3
195.08083	1.9
195.11795	1.4
199.14726	2.5
201.16605	2.4
201.18513	4.1
209.11644	2.1
209.19063	3.0
213.16400	2.7
222.06824	1.4
223.07639	1.8
223.14793	1.8
227.12703	5.8
229.15993	1.8
231.62714	3.5
241.09656	1.3
247.13072	1.4
247.16920	3.2
247.24236	14.2
265.22101	2.2
265.25192	11.6
283.09616	11.1
283.14899	7.1
283.20572	5.6
283.24155	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	283.2056
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
50.24591	2.0
53.03931	2.4
55.05515	10.4
55.05719	1.9
57.07061	7.9
65.03902	1.9
65.60017	2.0
67.04893	2.0
67.05505	18.7
69.03436	9.6
69.07074	13.0
71.04979	13.5
71.08621	1.9
71.55873	2.4
79.05489	19.3
81.07061	35.9
83.04957	4.1
83.08608	11.1
87.22333	1.8
89.06023	4.4
91.05483	24.5
93.07050	41.9
95.04977	14.8
95.08617	30.3
97.06513	5.5
97.10128	2.3
105.07034	48.6
107.08596	41.9
109.06535	10.3
109.10152	20.2
111.08091	4.7
117.07022	11.5
119.08584	39.6
121.06489	10.1
121.10149	61.5
123.08037	7.7
123.11693	7.9
128.06233	3.4
129.07036	5.2
130.07816	5.0
131.08582	33.0
133.10150	35.9
135.08034	12.4
135.11650	12.8
141.06985	3.9
142.07780	8.4
143.08559	19.3
144.09378	3.8
145.10130	45.2
146.07307	4.6
147.08057	4.4
147.11699	11.3
149.13202	3.3
155.08499	4.8
156.09402	4.9
157.10115	16.8
158.10930	9.9
159.08005	2.7
159.11717	18.0
161.09607	33.5
161.13245	5.4
163.11157	7.1
165.06999	4.0
168.09402	2.1
169.10101	7.0
170.10916	2.9
171.11676	14.0
173.09697	2.7
173.13272	63.5
175.11205	3.5
175.14774	6.1
179.08572	6.9
180.09433	2.2
181.10097	5.5
183.11720	10.1
185.09561	3.8
185.13216	10.3
187.14766	10.3
191.14323	4.1
193.10228	3.2
194.10910	4.9
195.11681	8.7
196.12523	2.8
197.13292	8.0
199.11111	4.2
199.13196	2.0
199.14796	12.3
201.16386	4.7
208.12473	3.5
209.11757	2.1
209.13309	18.1
213.12662	5.7
213.16374	5.6
223.14880	10.9
225.16389	6.5
227.14455	10.3
235.14749	2.9
255.20992	10.1
265.17453	1.9
265.19611	25.1
268.12280	3.0
283.10815	3.5
283.15265	8.9
283.20544	100.0
283.28342	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	283.1905
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
53.03931	5.3
55.01875	8.6
55.05509	23.4
57.03438	38.4
57.07059	5.7
59.04985	1.7
61.02924	1.6
63.59671	1.4
65.03931	2.3
65.69341	1.4
67.05504	46.6
69.03419	6.0
69.07068	28.6
71.04984	9.8
71.47955	1.4
71.55513	1.6
73.02911	2.5
78.91868	1.4
79.05495	50.9
81.03417	12.7
81.07058	68.9
83.04979	16.1
83.08627	16.9
85.02888	4.7
85.06546	14.0
89.06013	3.9
91.05470	24.6
92.59659	1.4
93.07045	80.1
95.04968	16.1
95.08604	87.1
97.02885	6.4
97.06548	20.6
97.10162	5.4
99.04459	10.2
99.08102	9.0
101.06033	1.9
105.07027	25.0
107.04958	17.4
107.07864	2.9
107.08595	57.6
109.02843	5.8
109.06516	18.8
109.10162	35.7
111.04443	9.6
111.08086	18.8
111.11750	3.9
113.05986	3.8
113.08873	3.0
113.09639	37.2
115.05438	2.0
117.07008	14.2
119.08587	27.0
121.06509	13.9
121.10149	35.6
123.04440	1.8
123.08068	7.9
123.11697	14.9
125.05976	7.0
125.09630	7.9
127.03902	3.9
127.07561	5.8
127.11184	1.9
129.07005	2.4
129.09116	3.6
130.07774	1.8
131.04948	2.4
131.08530	12.4
133.10143	25.7
135.08061	7.3
135.11693	52.4
137.05920	3.3
137.09633	9.7
137.13245	4.1
139.07539	23.7
139.11182	5.7
141.05507	1.6
141.09143	1.4
143.07001	2.4
143.08521	5.6
145.06464	3.9
145.09039	2.5
145.10120	35.2
147.07939	2.0
147.11707	20.8
149.06009	2.3
149.09615	4.5
149.13264	33.9
151.07564	2.7
151.11188	5.8
152.06218	1.5
153.06956	1.4
153.12672	3.5
155.08430	2.9
157.08594	10.8
157.09921	2.9
159.06534	2.0
159.08002	1.9
159.11670	5.8
161.09683	1.8
161.13229	4.4
163.07622	1.4
163.11185	60.3
163.14807	4.1
165.06967	1.6
165.09171	1.7
167.07021	1.4
167.08443	2.1
167.10709	1.5
169.10110	2.4
173.09630	6.3
173.13255	6.2
175.11261	6.8
175.14919	2.7
177.12726	2.1
177.16354	8.8
179.10684	1.6
181.12213	14.8
183.11745	2.4
185.13300	2.5
187.11217	2.4
187.14810	11.2
191.10651	5.4
191.14250	6.2
195.07982	1.7
195.10115	2.2
195.17528	1.7
201.16400	4.8
203.17967	13.8
205.12245	2.7
205.15831	7.9
207.35217	1.9
209.11726	10.7
209.15334	1.8
211.14751	4.3
219.13824	2.9
219.17390	2.8
221.19077	7.9
223.07529	2.6
223.16919	20.0
227.12785	100.0
229.15849	9.8
239.18106	1.4
239.20148	10.6
240.07715	1.6
241.17993	2.0
247.13239	1.9
247.16911	20.4
251.09268	2.5
255.10158	2.3
262.28183	1.4
265.10422	1.7
265.14716	2.9
265.17920	31.9
271.27896	1.4
283.09323	11.0
283.15390	52.3
283.19095	9.7
283.23511	1.8
304.33041	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01876	9.7
55.05264	1.8
55.05514	23.6
57.03441	38.9
57.07071	5.6
58.06259	1.7
59.05002	2.1
65.03924	1.4
67.05506	42.5
69.03435	9.0
69.06729	2.4
69.07074	34.9
69.74380	8.3
71.01276	1.8
71.04994	11.5
71.08630	1.6
73.02911	1.7
75.04473	1.7
79.05061	2.9
79.05499	47.3
81.03438	9.5
81.07061	72.0
83.05004	11.8
83.08624	20.6
85.02896	1.8
85.06542	12.1
89.06052	2.9
91.05488	20.8
93.07053	83.1
95.04965	15.4
95.08612	84.2
97.02888	6.3
97.06544	17.9
97.10158	5.9
98.20713	2.4
99.04472	6.1
99.08103	6.4
103.05476	1.8
105.07036	26.5
107.04958	13.5
107.08599	52.7
107.09299	3.2
107.36481	1.5
109.02885	5.5
109.06523	16.6
109.10171	32.4
111.04427	9.6
111.08117	12.4
111.11731	4.2
113.06007	2.0
113.09654	33.2
117.07004	13.3
119.08586	29.9
121.06529	12.0
121.10149	34.8
123.08085	8.9
123.11739	13.4
124.28472	1.7
125.05990	5.9
125.09644	8.1
127.03943	3.7
127.07553	5.3
127.11176	3.3
129.06984	1.7
129.09125	6.1
130.07794	3.1
131.04945	2.0
131.08578	10.7
133.10144	23.5
135.08113	8.6
135.11696	57.5
137.06000	2.6
137.09650	6.1
137.13280	4.6
139.07555	20.6
139.11172	2.5
141.05507	1.7
143.07043	2.9
143.08569	4.8
145.06479	2.0
145.10130	38.8
147.08047	4.1
147.11691	18.7
149.09653	6.5
149.13274	32.0
151.07506	2.3
151.11182	5.0
153.09116	1.7
153.12794	2.9
155.07182	1.4
155.08604	2.1
157.08623	9.7
157.10141	2.2
159.06613	1.5
159.08043	2.8
159.11696	6.8
161.09654	2.1
161.13252	4.7
163.11189	56.8
163.14862	4.8
169.10130	1.9
171.11737	1.9
173.09634	6.2
173.13266	5.1
175.11186	6.0
177.16444	5.5
181.12251	15.8
183.11755	2.3
185.13239	1.9
187.11130	2.7
187.14856	7.1
189.12761	3.4
191.10674	6.2
191.14360	4.8
195.08141	1.8
195.10176	1.8
195.17398	3.4
201.16470	4.4
203.17970	16.3
205.15877	10.0
209.11702	10.6
211.14919	2.8
219.13895	2.0
219.17441	1.8
221.19046	5.3
223.07542	2.6
223.16928	14.7
227.12788	100.0
229.15887	9.4
235.07571	1.9
239.20084	6.9
247.16945	14.3
247.24182	2.2
265.14752	3.0
265.17975	25.1
283.09857	9.5
283.15460	51.4
283.19031	7.3
283.20743	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	283.1541
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03933	5.3
55.01874	17.5
55.05303	3.3
55.05518	40.6
56.03870	3.1
57.03444	35.2
57.07077	8.5
57.08697	2.9
57.94155	3.0
65.77686	3.2
67.05512	35.2
68.54283	3.6
69.07076	22.2
69.28986	6.7
69.29398	23.8
71.05002	8.9
79.05500	44.3
81.03413	11.4
81.07067	50.2
83.01369	23.0
83.04993	22.8
83.08617	31.1
85.02917	5.7
85.06608	3.4
85.38084	3.4
89.06038	16.8
91.05477	25.8
91.18430	3.8
93.07056	59.4
95.04965	12.6
95.08611	39.0
97.02905	8.0
97.06556	11.8
99.04468	6.8
105.07056	22.4
107.04968	18.5
107.08587	39.0
109.06504	11.1
109.10172	8.3
111.04436	8.0
111.08066	4.2
117.07026	13.1
119.08610	26.5
121.06506	7.7
121.10169	24.9
123.08074	13.2
129.07033	4.6
130.07767	5.2
131.08571	10.2
133.08629	8.9
133.10181	11.5
135.08006	4.2
135.11710	52.5
143.08661	7.1
145.10136	45.7
147.08070	3.6
153.12778	10.9
155.08565	5.0
157.10191	4.0
159.11705	5.1
163.11200	75.6
173.09673	10.7
173.13264	5.0
181.12260	17.7
191.10669	8.2
198.22142	3.4
209.11771	19.8
213.16457	4.6
227.12808	74.6
229.69952	3.4
269.20233	3.2
283.15424	100.0
283.20401	7.1
283.24207	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	283.1542
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03926	2.4
55.01876	5.5
55.05516	16.0
57.03444	19.1
57.07071	5.1
63.92810	2.1
65.03929	2.6
67.05173	2.9
67.05511	39.5
69.03440	2.5
69.07072	17.9
69.34824	16.9
71.04990	6.1
71.08636	2.1
73.02908	2.4
79.05067	2.9
79.05499	40.7
81.03413	4.7
81.07064	33.9
83.04976	13.0
83.08628	16.9
85.02873	2.1
87.07608	1.7
89.06017	8.2
91.05489	19.0
93.07051	51.5
93.10645	1.8
95.04988	12.2
95.08611	42.1
97.02884	10.3
97.06533	10.8
97.10173	4.4
99.04463	7.0
99.08102	2.8
105.07037	12.0
107.04967	16.0
107.08604	37.9
108.04439	1.8
108.77956	1.7
109.06506	3.4
109.10133	6.8
111.04453	13.7
111.08097	4.7
113.05995	4.0
113.09634	3.4
117.07027	15.5
119.08592	15.3
121.06504	6.6
121.10156	22.4
123.04362	2.0
125.05994	3.9
126.86402	1.9
127.07522	2.1
128.42400	1.7
129.07062	3.0
130.07765	3.4
131.08563	6.9
133.08603	2.8
133.10133	6.6
135.08046	2.3
135.10683	4.0
135.11705	61.9
139.07526	2.5
143.08511	2.3
145.06503	3.9
145.10136	35.3
147.08080	3.0
149.09607	4.8
155.08507	2.9
159.11644	3.6
163.11191	69.0
165.09024	2.4
173.09650	10.0
181.12239	15.9
183.11620	2.8
191.10745	10.4
209.11736	10.2
227.12791	94.0
255.15901	17.7
283.15408	100.0
283.20450	4.8
283.24173	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79436	0.9
53.03938	2.3
55.01879	5.3
55.05512	8.9
55.79830	0.9
57.03438	11.3
57.07059	2.8
58.13028	1.0
65.03949	1.2
67.05506	17.5
69.03409	1.3
69.07059	8.5
71.04990	3.2
73.02914	1.6
79.05058	2.0
79.05493	22.3
79.85513	0.9
81.03412	2.5
81.07063	18.6
83.04986	6.0
83.08611	8.6
85.06539	1.4
86.00687	1.1
89.06030	4.6
91.05477	7.8
93.07046	37.8
95.04973	5.4
95.08611	33.6
95.09115	0.6
97.02876	4.4
97.06537	4.3
97.10132	1.2
97.27630	1.0
99.04448	4.0
105.07031	7.7
107.04942	9.2
107.08599	25.2
108.95110	1.0
109.06540	1.6
109.10153	4.3
111.04450	3.3
111.08131	1.1
113.06007	0.9
117.07014	9.1
119.08604	9.2
121.06503	7.4
121.10146	10.7
125.06017	2.9
130.07797	1.6
131.08546	2.2
133.08614	1.5
133.10107	2.5
135.08054	3.2
135.11693	40.9
135.12723	2.3
136.73247	0.9
139.07558	2.1
143.08488	2.1
145.10112	24.1
149.09595	1.1
155.08479	1.2
163.11179	57.9
173.09627	1.9
181.12239	11.8
189.96378	1.0
191.10777	1.4
209.11739	3.0
227.12781	100.0
267.15753	1.0
279.37613	1.1
283.15405	40.8
283.20599	2.3
283.24023	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20399	1.4
52.24148	1.5
53.03933	3.1
55.01861	4.5
55.05309	1.4
55.05517	15.6
57.03444	12.3
57.07079	3.1
60.91748	1.5
65.03921	1.9
67.05511	17.2
69.03432	1.8
69.07063	6.5
71.04982	2.5
71.55085	2.4
73.02910	1.6
73.22781	1.5
73.25199	1.5
74.88165	1.4
76.55792	1.4
79.05495	24.1
81.03403	3.7
81.07063	21.9
83.04987	7.7
83.08622	9.6
83.29765	1.4
89.06026	3.2
91.05490	9.6
91.81880	1.3
93.07052	32.5
95.04974	7.7
95.08062	3.0
95.08614	40.2
97.02891	3.8
97.06520	5.0
99.04435	5.7
103.72643	1.5
105.07053	7.6
107.04958	10.3
107.08601	26.3
109.06527	3.6
109.10143	5.3
111.04433	3.1
111.08083	4.0
117.07014	9.9
119.08613	11.0
121.06495	4.2
121.10165	16.9
123.08073	1.6
125.05981	3.6
125.09541	1.5
129.61751	1.7
130.07794	1.5
131.08594	4.3
133.08627	1.6
133.10175	2.7
135.05444	1.6
135.08011	1.9
135.10681	2.8
135.11703	45.1
139.07542	1.7
140.37871	1.5
143.08585	2.1
145.10129	26.8
147.11687	3.0
149.09677	1.9
153.12737	2.5
163.11194	62.3
173.09633	2.6
175.11282	1.5
181.12247	16.4
191.10725	2.0
209.11679	2.8
227.12799	100.0
250.97141	1.5
273.40231	1.6
276.52100	2.1
283.15240	39.2
283.20587	5.1
283.23950	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	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.6
55.01882	4.9
55.05508	12.1
57.03438	12.1
57.07086	5.1
67.05511	20.1
69.03429	2.6
69.07072	9.4
71.05016	1.8
71.08638	1.8
71.54910	1.7
71.55275	1.9
73.02940	2.3
79.05499	27.2
81.03435	4.4
81.07063	25.2
83.05000	6.9
83.08641	10.3
84.08938	1.7
85.02869	1.7
85.10211	1.9
88.10448	1.4
89.06044	6.3
91.05482	9.9
93.07055	38.6
93.07638	2.7
95.04985	10.1
95.08612	43.2
97.02895	4.2
97.06551	6.7
97.10192	3.1
99.04475	4.5
105.07030	10.9
107.04956	12.9
107.08607	28.9
109.06531	3.0
109.10172	4.4
111.04473	5.7
111.08112	4.3
113.06046	2.1
117.07035	11.9
119.08606	13.1
121.06552	6.3
121.10168	14.3
123.08096	3.1
123.11820	1.9
125.06014	2.5
129.07019	2.4
130.07811	1.8
131.08611	3.6
133.08653	2.4
133.10205	4.8
135.08072	1.9
135.11708	46.0
138.40758	1.8
143.08652	3.8
145.06635	1.8
145.10133	35.6
147.11707	6.0
149.09642	2.1
157.10187	3.0
163.11189	60.3
171.11763	2.7
173.09642	2.8
173.13300	2.1
181.12251	14.4
185.13330	3.1
191.10658	3.2
197.13345	3.1
201.47716	1.9
209.11797	5.4
227.12798	100.0
232.04152	1.9
258.15897	1.8
270.44958	2.0
283.15390	47.9
283.20648	22.3
283.24170	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35038	1.1
53.03933	2.6
55.01854	4.2
55.05513	14.6
57.03194	1.4
57.03440	17.4
57.07072	1.9
65.03926	1.0
67.05183	1.4
67.05509	21.1
68.11430	0.9
69.03408	3.6
69.06735	1.0
69.07072	10.4
69.58555	1.7
69.58965	4.4
71.05006	4.5
72.71796	1.0
73.02888	1.0
76.65836	0.9
79.05494	30.9
81.03423	4.7
81.07063	32.2
82.09501	1.0
83.01319	0.9
83.04999	6.6
83.08620	11.4
84.04456	0.9
85.02921	1.5
85.06521	3.4
91.05479	12.1
93.07048	47.7
95.04969	8.9
95.08610	50.7
97.02882	4.2
97.06521	6.6
97.10170	2.0
99.04443	5.8
99.08086	1.5
103.05463	1.3
105.07044	13.6
107.04958	12.0
107.08601	35.2
109.06513	3.1
109.10165	12.5
111.04422	2.0
111.08065	3.6
113.05992	1.9
113.09666	6.1
114.26287	1.0
117.07016	11.0
119.08566	14.2
120.04444	4.1
121.04815	3.1
121.06497	7.3
121.10153	18.8
123.08068	3.2
123.11694	5.0
125.05981	3.5
125.09624	1.8
127.07559	1.6
129.07101	0.9
130.07761	2.9
131.04921	1.2
131.08601	5.1
133.09422	0.9
133.10170	10.1
133.11107	1.5
135.08031	3.6
135.11700	47.7
137.09604	1.6
137.13281	2.0
139.07564	7.0
143.08607	1.1
145.10130	32.7
147.08072	1.1
147.11691	6.4
149.09601	1.7
149.13283	10.0
151.11107	1.3
153.12721	2.1
155.08582	1.6
157.08614	3.0
157.10089	1.5
159.11621	1.9
161.13226	2.1
163.11188	55.7
163.14824	1.7
167.08618	1.6
171.11728	1.1
173.09625	3.0
173.13316	3.7
175.11200	1.5
177.16383	3.2
181.12234	12.1
187.14830	2.8
191.10683	2.1
199.14879	1.2
201.16307	3.7
203.17940	4.5
205.15858	1.9
209.11813	2.6
211.14798	1.2
221.19067	1.4
223.07463	1.9
223.16924	4.2
227.12787	100.0
228.76021	1.1
229.15909	2.4
239.20085	2.3
247.16925	3.9
265.17963	6.5
283.09909	5.7
283.15402	41.8
283.20541	1.9
283.24042	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	283.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
53.21509	0.7
55.01873	3.4
55.05512	6.1
57.03437	4.6
57.07090	2.6
59.04988	0.5
59.31404	0.5
67.05505	11.4
69.03415	1.4
69.07069	9.0
69.92334	2.7
69.99632	0.5
71.04984	1.8
71.08638	1.1
72.08181	0.6
73.02901	0.7
77.03905	0.6
79.05495	14.7
79.05959	0.8
80.05823	1.0
81.03420	16.7
81.06584	0.8
81.07062	16.8
83.04984	4.0
83.08624	5.9
85.02896	1.0
85.06539	1.7
87.04450	0.8
89.06021	1.7
91.05488	7.9
91.47540	0.6
93.07050	9.8
95.04961	4.2
95.08610	15.4
97.02890	1.7
97.06548	2.7
97.10175	2.4
98.97581	0.9
99.04423	1.3
103.05464	1.3
104.05003	1.2
104.05782	0.7
105.07030	6.7
107.04956	21.9
107.08600	9.3
108.05264	0.8
108.08913	0.5
109.06541	2.8
109.10163	8.9
111.04456	1.2
111.08091	1.1
111.11712	1.3
113.06095	0.6
113.09628	0.8
117.07015	4.0
119.08591	9.0
121.06506	2.1
121.10156	6.9
123.04428	1.2
123.08053	2.2
123.11729	3.8
124.07517	0.7
125.05983	0.8
125.09629	1.2
125.13235	0.9
128.06241	1.4
129.05519	1.2
129.07001	2.5
130.07779	0.9
131.04924	2.0
131.08569	4.7
133.10132	2.9
134.09636	0.7
135.08049	1.1
135.10040	0.9
135.11708	7.3
136.12022	2.2
137.05988	0.7
137.09590	0.8
137.13281	2.5
141.06993	0.8
143.08556	2.9
145.06541	0.7
145.10135	9.0
147.08063	1.9
147.11708	2.6
149.09622	1.4
149.13232	1.8
151.07518	0.9
151.14906	0.8
153.06970	0.9
153.12746	2.1
155.08524	1.8
157.10156	0.8
159.08102	0.7
159.11691	2.6
161.06032	0.6
161.13249	0.7
163.11198	8.5
163.14851	0.9
165.06992	1.1
165.23880	0.5
167.08537	0.8
169.10094	0.8
171.11705	1.3
173.09639	3.4
173.13232	2.7
177.16335	0.8
178.04988	3.5
181.08600	0.6
181.10136	0.7
181.12184	2.4
183.11772	0.6
185.13219	0.8
187.14827	1.1
191.10654	6.9
191.17986	0.8
195.08067	1.3
195.11673	2.1
197.13219	0.7
199.14822	1.0
200.56239	0.5
201.16437	1.2
209.11719	1.4
211.14877	0.8
223.07593	1.6
223.14842	0.9
225.05304	0.8
226.12018	0.8
227.12651	7.0
227.17743	0.7
233.11507	3.3
247.16879	1.3
247.24252	1.6
255.11227	1.2
265.14200	3.0
265.19635	3.6
265.25348	1.0
269.12274	1.6
283.10547	8.0
283.15176	100.0
283.20511	9.2
283.24127	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	282.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.05510	1.4
59.34539	0.3
64.69765	0.3
66.18849	0.4
67.05511	1.1
68.05037	1.0
69.07051	0.8
69.82063	2.0
70.06590	0.6
72.44536	0.4
79.05489	1.4
80.05029	1.0
81.03419	2.1
81.07043	2.2
82.06575	0.6
83.27339	0.4
84.04504	0.8
85.02916	0.5
86.06083	1.1
87.04469	15.3
91.05416	0.5
93.07053	3.6
94.06511	0.4
95.08625	1.5
96.08135	0.9
97.06519	0.6
98.06076	1.1
98.20869	0.5
107.08580	1.9
108.08092	2.1
109.02890	5.2
110.09666	1.5
120.08104	0.4
121.10154	0.7
122.09700	2.5
123.10446	0.8
123.11709	0.7
124.11190	0.7
128.10704	0.5
135.04425	7.3
135.11702	3.2
136.07584	0.7
136.11194	1.0
140.02577	0.4
148.53967	0.4
150.12796	3.9
151.13560	1.3
152.14345	18.1
152.15584	0.9
156.10211	1.1
164.10730	0.4
166.08664	3.0
174.01253	0.4
178.12250	0.6
180.10242	0.5
181.10997	0.4
194.11818	2.3
196.13324	0.8
202.15889	0.4
208.13284	4.6
209.14101	1.3
210.14893	0.7
236.16478	0.7
238.18018	98.9
239.18280	0.5
240.19673	0.5
282.20633	100.0
283.20975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.6
55.05513	1.5
56.05046	0.3
57.07107	0.3
60.04527	1.5
67.05537	1.0
68.05048	0.5
69.07091	0.8
70.02965	0.7
70.06615	0.7
75.58636	0.3
77.87270	0.3
79.05501	2.2
80.05026	1.6
81.03449	1.0
81.07046	2.1
82.06583	0.3
83.08659	0.4
84.04546	1.2
84.08168	0.4
85.02905	1.7
86.06100	1.2
87.04467	14.7
88.03994	7.7
91.05514	0.7
93.07050	4.8
93.07553	0.4
94.06570	0.6
95.08639	1.3
96.08162	0.8
98.06079	1.4
98.09663	0.3
102.05543	12.5
105.07017	0.4
107.04958	9.5
107.08578	1.8
108.08120	4.2
109.02924	1.0
109.08945	0.3
110.03221	0.6
110.09652	2.1
119.08636	0.7
120.08142	1.0
121.10175	0.4
122.09662	3.7
123.10483	1.1
123.11755	0.6
124.11247	0.5
127.88262	0.3
135.04404	2.4
135.11697	3.6
136.07603	0.6
136.11206	1.6
137.12009	0.3
137.13316	0.5
148.06042	8.5
150.12790	5.9
151.13547	2.0
152.14343	15.2
166.07330	0.6
166.08615	3.7
168.10341	0.3
180.10191	0.7
181.10980	0.8
184.09717	1.0
184.13367	1.0
194.11742	2.8
195.12544	0.4
196.13380	2.2
208.13304	4.5
209.12048	0.4
209.14067	1.7
210.14836	0.6
236.16508	1.2
238.18013	100.0
239.18221	0.5
240.19690	0.9
252.12389	0.4
265.10629	0.4
282.17099	12.9
282.20599	86.7
283.21054	0.5
284.82468	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	0.9
55.64684	0.2
57.03461	0.5
57.07105	0.2
59.05011	1.4
61.02929	1.7
63.38499	0.2
67.05504	0.2
68.10100	0.2
69.03432	0.2
69.07107	0.4
69.91628	0.7
70.06592	0.3
71.04996	3.4
71.05352	0.2
79.05502	1.3
80.63940	0.2
81.02944	0.2
81.03423	0.3
81.07062	5.4
81.07522	0.3
83.08630	0.3
84.04533	0.4
85.02932	0.6
87.08136	0.6
91.05496	0.4
99.08098	0.3
107.08614	0.2
108.08138	0.7
109.02906	0.3
109.05152	0.8
110.03548	3.5
113.09663	0.9
117.03407	0.2
119.04968	0.2
120.04489	0.4
120.08141	0.6
120.90710	0.2
121.06505	0.2
122.09693	0.4
125.90485	0.2
126.00214	0.2
126.39394	0.2
127.03256	0.2
128.04584	0.8
134.04634	0.5
134.08060	0.2
134.09709	0.2
135.03026	8.4
135.10698	0.2
135.11693	0.4
136.01428	0.3
145.02841	0.4
146.57625	0.2
148.09563	0.2
149.06075	0.2
150.12804	1.4
151.13597	0.3
152.05681	100.0
153.02867	0.4
153.04076	6.0
154.02480	0.2
166.07300	1.0
174.12750	0.4
177.05521	0.3
207.06471	0.4
220.13304	0.7
228.14679	0.3
232.11821	0.7
250.13010	2.3
269.69275	0.2
282.15533	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	282.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59659	0.2
55.05522	0.6
57.03431	0.4
57.07086	0.4
59.05008	0.7
60.04539	0.3
61.02940	0.6
67.05507	0.3
69.07088	0.2
69.40345	0.3
69.40755	1.2
70.06592	0.4
71.04598	0.4
71.04997	7.5
72.08172	0.2
77.29943	0.2
79.05505	0.8
81.07057	2.5
83.08645	0.2
84.04511	0.5
84.08154	0.3
85.02925	0.3
88.03987	1.7
91.05529	0.3
93.07074	0.2
95.04964	0.2
95.08609	0.3
99.08105	0.4
99.91124	0.2
102.05550	2.7
105.07035	0.3
107.04977	2.9
109.05154	0.5
110.03543	3.8
112.72702	0.2
113.09647	3.8
118.31129	0.2
119.08601	0.5
120.04485	0.6
120.08116	0.7
128.04619	1.1
133.06407	0.2
133.10091	0.2
134.04625	0.4
134.09702	0.3
135.03024	4.2
138.05476	0.3
147.09248	0.2
148.06062	1.7
152.05684	100.0
153.04094	5.9
161.05899	0.4
162.05530	0.8
166.07262	0.9
217.53191	0.2
223.58018	0.2
232.11951	0.4
236.09183	0.6
250.12917	1.0
282.15579	15.2
282.22098	0.5
282.27893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.3
57.03445	1.2
57.07096	0.6
59.04995	0.6
61.02927	0.4
67.05501	0.5
69.03450	0.8
69.07076	4.1
69.81779	0.7
69.82185	1.0
70.06601	0.8
71.04968	0.5
73.02911	0.3
73.06576	0.4
79.05505	0.7
80.18759	0.3
81.07073	0.5
83.08646	0.4
84.04527	0.7
84.20834	0.3
85.02903	2.7
85.06569	1.5
88.04019	0.5
91.05514	0.4
92.17509	0.3
94.04060	0.8
97.02940	0.7
97.06525	2.2
97.10198	0.5
98.97588	0.6
102.05544	1.0
103.06968	0.2
103.07595	6.0
107.04951	1.0
109.02895	0.5
119.03567	2.1
120.08102	0.9
121.08448	0.5
123.08008	0.4
127.03924	0.5
129.09154	0.9
130.04991	0.7
134.09653	0.6
136.06201	100.0
137.04591	0.8
137.06509	1.7
145.04939	0.4
148.06087	0.6
150.07755	6.3
152.10744	0.5
162.04079	1.1
163.04417	0.6
177.05492	0.4
186.79628	0.3
201.07431	0.4
209.54515	0.3
250.13014	21.8
264.08789	0.3
264.14630	0.5
282.15613	53.7
282.22101	1.4
282.27890	1.2
296.25281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.3
55.05504	1.2
56.05030	0.4
57.07047	0.5
58.99588	3.5
62.10685	0.3
67.05502	2.6
69.07062	1.5
69.60567	2.1
70.06590	0.5
72.08133	0.3
74.94108	0.3
79.05496	2.9
80.05033	1.5
81.07043	3.6
82.06576	0.8
83.08618	0.8
85.01122	1.1
86.00666	1.6
86.99052	3.0
87.02689	1.1
88.02227	1.4
91.05480	1.4
93.05775	1.2
93.07047	1.5
94.06548	1.2
95.08611	3.3
96.08139	0.4
97.46074	0.4
98.00618	0.3
101.04239	1.2
105.00104	2.4
105.07037	2.2
106.06557	0.6
107.07298	0.6
107.08605	2.1
108.08120	19.6
109.06535	0.5
109.08920	0.5
109.10164	1.5
110.09708	1.8
110.10377	0.4
112.02195	1.8
112.87440	0.3
113.04224	0.7
119.08586	1.4
120.08112	1.2
121.08845	0.9
121.10153	0.7
122.09676	3.7
124.02151	0.4
124.11237	1.0
125.05801	0.3
131.08592	0.5
132.01180	2.3
133.08904	0.5
133.10133	1.4
134.09653	1.4
135.11684	0.5
136.11189	0.9
137.04179	0.7
138.03716	0.7
139.05765	0.4
140.05315	1.6
145.10110	0.3
148.11209	1.6
149.04204	0.4
150.10033	0.3
150.12784	1.4
151.05792	0.4
151.14815	0.8
154.06877	0.5
158.02719	0.6
159.04747	1.5
159.11781	0.4
161.13266	1.0
164.05220	0.4
164.06999	0.5
166.06900	3.7
166.08456	0.6
167.07593	0.5
167.08926	0.4
168.08444	0.7
173.06349	1.2
176.14377	2.8
177.15118	0.6
178.15907	3.8
180.08420	1.3
181.09242	0.9
182.02707	1.5
183.03493	0.9
184.04298	0.7
193.10565	0.8
195.12045	0.8
210.05830	1.2
210.13156	1.9
212.07405	28.3
213.08150	0.9
226.08858	0.4
236.14719	1.3
254.12027	0.4
282.15225	100.0
283.15369	0.7
293.63525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93406	1.7
51.44952	2.0
53.60446	1.7
55.01870	4.8
56.96575	3.8
57.03436	8.4
57.65890	1.8
59.85532	2.0
61.02926	9.4
69.03436	14.3
70.36745	7.6
71.04996	5.0
73.02930	28.0
74.06081	4.1
81.03420	8.5
84.08164	3.0
84.91175	2.3
85.02911	31.5
86.03701	9.9
87.04485	3.3
94.93011	2.4
97.02876	15.0
98.20865	2.9
98.97585	17.2
99.04462	3.0
101.00868	5.8
102.09190	4.2
102.22425	1.9
106.02663	2.4
109.02896	5.6
114.02475	2.1
116.98660	5.4
119.01919	8.4
120.10219	14.0
123.02940	4.8
124.23896	2.1
127.03928	7.1
128.72794	2.2
131.01900	4.8
132.03415	4.8
136.03638	2.3
138.03441	7.9
140.03206	4.1
141.03955	5.6
143.01898	17.0
145.03372	2.9
145.05029	3.2
147.03967	13.6
147.53990	2.6
153.03970	9.0
153.54146	2.0
155.01877	4.5
156.04532	3.2
157.03496	5.0
161.02957	16.7
162.04543	18.8
162.54601	2.2
167.01900	2.8
170.03394	3.8
171.04936	2.0
173.03004	8.7
174.04492	7.2
183.05023	40.7
183.55127	7.9
185.02925	10.7
191.03954	4.2
192.05632	100.0
192.55670	13.2
200.04428	2.5
200.54570	5.7
201.04884	3.3
203.04054	11.2
203.56328	2.4
212.56819	5.5
219.01900	2.0
221.05087	19.3
239.06151	22.5
245.04936	2.2
258.99820	5.1
262.05408	7.3
263.06195	20.7
267.59326	2.0
272.56802	2.1
275.06198	2.6
277.00821	9.4
281.57275	10.4
282.01361	2.1
282.15497	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	281.2113
Annotation	12(S)-HHT
Peak:m/z	Relative Intensity
53.03934	7.1
55.01867	7.1
55.05513	100.0
57.03447	20.7
57.07081	49.8
59.04984	7.2
63.08716	3.3
65.03944	3.6
67.05508	82.9
67.05867	4.1
69.03429	8.4
69.07074	93.4
71.04999	7.4
71.08640	26.2
71.55412	5.0
73.06539	5.4
74.22425	2.9
75.85938	3.5
77.49767	2.9
79.05498	65.3
81.03407	8.9
81.07061	99.0
83.04967	16.3
83.08627	63.1
85.02911	84.3
85.06546	7.0
85.10189	16.6
86.21712	3.1
88.81430	3.1
91.05487	51.7
93.07048	74.3
95.04979	44.1
95.08614	87.8
97.06522	14.1
97.10175	70.9
99.08112	4.3
101.09660	7.1
103.05458	3.0
105.07033	61.8
107.05007	3.6
107.08604	68.0
109.02876	8.3
109.06503	17.3
109.10158	61.5
111.04427	6.8
111.08086	8.8
111.11747	14.6
113.02371	77.2
113.09670	3.4
115.11201	6.5
117.07027	14.8
119.08591	54.9
121.06529	16.0
121.10152	35.9
123.04409	5.1
123.08069	15.3
123.11710	19.9
125.06001	4.0
125.09659	3.1
129.07019	16.2
131.08556	16.4
133.06436	3.5
133.10130	44.5
135.08051	14.1
135.11714	16.4
137.06006	5.6
137.09604	12.7
137.13229	7.8
139.07532	5.6
141.05495	19.3
141.06808	2.7
143.08601	17.9
145.10083	21.6
147.08052	14.1
147.10634	4.9
147.11691	52.1
149.02318	3.2
149.09615	13.9
149.13287	12.6
150.02673	4.1
151.07530	9.0
151.11165	12.4
151.14832	12.3
153.09128	4.2
153.12674	3.1
155.07077	5.9
157.10182	15.0
159.11720	9.4
161.09642	16.5
161.13298	26.9
163.11174	11.3
163.14790	10.6
165.09113	12.2
165.12796	7.2
167.10672	13.1
169.08588	9.8
169.10075	7.3
171.11685	26.3
173.13228	5.7
175.11217	6.1
175.14890	11.5
177.12782	4.0
177.16377	9.3
179.10641	16.2
181.12222	6.7
183.10132	4.9
185.13240	8.5
189.09074	3.2
189.12720	8.6
189.16429	5.2
193.12215	10.3
197.13367	4.3
199.14864	4.6
203.17941	8.7
207.13799	16.5
217.19543	45.4
221.15450	3.1
225.16473	4.3
227.17839	7.1
231.40160	3.2
235.20558	14.6
239.18031	3.4
245.15204	3.8
245.19022	16.3
263.17258	5.5
263.20056	41.8
263.23145	4.2
281.08356	3.3
281.17557	19.9
281.21188	39.7
281.22531	38.2
281.28076	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	281.2114
Annotation	12(S)-HHT
Peak:m/z	Relative Intensity
53.03940	6.9
55.01875	5.7
55.05516	100.0
56.96574	2.6
57.03436	19.2
57.07077	47.5
59.05006	4.3
65.03943	2.7
67.05511	77.8
69.03424	7.4
69.07072	75.3
71.05011	11.5
71.08636	24.4
71.55344	3.7
73.06538	5.5
79.05502	58.7
79.05967	4.0
81.03425	7.5
81.07065	84.5
83.05003	15.7
83.08624	59.0
85.02910	75.6
85.06535	7.1
85.10191	10.1
88.97417	1.9
91.05486	47.2
91.26355	2.4
93.07053	65.4
95.04982	38.1
95.08616	76.9
97.06548	16.7
97.10173	60.3
98.97621	3.3
101.09649	7.0
103.35891	2.3
105.06384	4.6
105.07044	50.2
107.04945	3.8
107.08608	54.2
109.02869	5.4
109.06534	13.7
109.10163	46.5
111.04411	4.4
111.08080	10.2
111.11720	10.2
111.94907	2.6
113.02377	70.2
115.11187	4.6
117.07001	15.5
119.08600	49.6
121.06495	13.9
121.10161	29.0
123.04437	8.3
123.08096	17.8
123.11724	19.7
125.05979	2.9
125.09645	3.3
128.06200	3.3
129.07016	12.8
131.08559	16.2
133.10143	30.5
135.08078	8.8
135.11681	17.6
137.06023	3.9
137.09627	10.1
137.13268	8.1
141.05469	14.2
143.08578	10.6
145.10139	15.9
147.08069	9.6
147.11694	48.7
149.09616	10.1
149.13275	7.7
151.07559	7.8
151.11203	8.9
151.14825	10.3
153.09122	7.2
155.07149	5.4
155.08574	4.4
156.09425	3.5
157.10168	9.6
159.11719	12.4
161.09570	12.5
161.13280	23.8
163.11227	11.0
163.14903	11.6
165.09148	8.6
165.12787	5.2
167.10667	8.5
169.08582	7.4
169.10098	3.3
171.11693	19.0
173.13324	4.6
175.11209	5.8
175.14821	9.9
177.16393	7.1
179.10648	15.5
179.14337	3.7
179.18036	3.0
183.10129	7.3
183.11707	3.5
185.13298	5.6
187.14864	3.0
189.12743	6.8
193.12291	10.7
197.13245	4.2
199.14868	3.6
203.14313	3.0
203.17989	4.9
207.13847	8.9
212.39052	2.5
217.19511	34.9
227.18095	3.4
235.20529	13.7
243.04599	2.7
245.18918	12.4
245.22591	3.1
263.16266	4.0
263.17270	3.7
263.20105	25.9
281.08221	3.4
281.17517	24.2
281.21210	36.0
281.22528	32.2
281.27829	3.8
286.56140	3.1
299.05878	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2111
Annotation	Juvenile hormone I acid
Peak:m/z	Relative Intensity
53.03935	4.8
55.05513	23.9
57.03439	6.3
57.07068	5.8
59.04991	1.7
65.03941	1.8
67.05184	2.3
67.05509	36.4
69.03413	3.7
69.06727	2.1
69.07069	28.2
71.04991	10.9
71.08640	3.2
71.20044	2.5
73.06550	2.2
79.05066	2.2
79.05495	33.5
81.03416	2.6
81.07063	100.0
83.04994	8.0
83.08628	17.0
85.06038	1.3
85.06534	5.2
91.05483	22.5
93.07049	57.4
95.04974	8.6
95.08611	61.3
97.06535	26.9
97.10177	9.3
99.08102	2.1
105.03351	1.4
105.07029	30.9
107.08596	48.9
109.06512	18.0
109.09473	2.1
109.10159	31.2
111.08101	9.4
111.11720	3.2
112.28660	1.2
117.06989	3.3
119.08591	22.3
121.06478	1.7
121.09322	1.9
121.10149	27.0
123.08069	21.5
123.11707	32.3
125.09655	6.2
125.13275	2.5
126.45854	1.4
127.07570	7.2
129.07011	3.6
131.08562	5.5
133.10133	16.7
135.08040	5.0
135.11699	14.5
137.09622	9.9
137.13246	4.6
139.07532	4.8
139.11169	1.7
141.09003	1.3
143.08540	5.6
145.10117	10.5
147.11687	32.7
149.09599	5.1
149.12057	1.5
149.13260	29.7
151.11182	17.4
153.09157	8.0
153.12752	4.2
157.10129	3.3
159.11743	2.7
161.09605	2.6
161.13263	13.1
163.11139	2.4
163.14836	3.4
165.12762	12.3
167.10645	3.5
169.12262	2.3
171.11659	10.4
173.13194	1.3
177.57034	1.3
179.10655	1.7
179.14307	4.6
181.12209	3.6
183.11897	1.3
185.13254	3.2
187.13252	2.1
187.14793	1.6
189.12776	3.2
199.14856	1.5
201.16373	4.2
203.18002	6.9
207.13795	3.2
217.19565	10.8
219.17488	5.2
227.17972	14.7
235.20576	26.6
237.18584	2.2
245.19016	8.6
263.20084	41.0
281.17551	10.5
281.21133	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	281.1749
Annotation	(-)-Zafronic acid methyl ester
Peak:m/z	Relative Intensity
55.01864	1.4
55.05507	3.0
55.24751	0.7
57.03419	3.1
57.07067	1.6
58.09674	1.2
63.66825	0.9
63.67226	0.9
67.05513	5.6
69.03429	5.7
69.07078	5.4
69.57682	2.0
69.58105	4.5
70.06596	1.1
71.05000	9.1
79.05503	7.0
81.03418	2.5
81.07063	14.4
83.04990	7.6
83.08616	1.9
84.04500	2.7
84.08138	1.5
85.02886	4.1
85.06520	3.2
86.06056	3.7
86.09687	3.6
87.04444	1.2
87.10005	0.9
91.05486	9.2
93.07059	16.7
95.01348	8.2
95.04967	6.7
95.08614	26.0
97.06546	8.0
97.10147	1.1
99.04465	7.1
102.05492	1.0
105.06402	1.3
105.07043	18.6
107.04920	2.4
107.08597	11.8
108.08120	6.3
109.02874	4.0
109.06517	3.0
109.10153	3.2
111.04435	1.2
111.08057	2.2
111.11691	1.0
113.05981	1.3
115.05445	1.1
116.06203	0.9
117.07008	2.4
119.08598	9.8
120.08083	1.2
121.06516	15.4
121.09351	1.0
121.10158	14.5
121.11002	0.7
123.08069	2.3
123.11699	2.3
125.06011	9.6
127.03923	1.2
128.06194	2.4
129.05534	1.3
129.06976	3.0
130.05029	6.7
131.08606	6.1
133.06519	1.1
133.10143	7.5
135.08069	1.3
135.11684	3.3
137.05954	1.8
137.09579	3.0
139.07571	1.1
139.11200	23.8
143.07042	9.7
143.08554	6.8
145.10143	8.8
147.04419	2.4
147.08018	2.1
147.11687	8.6
148.04767	2.3
149.09615	6.9
150.02643	1.2
150.12732	1.9
150.54967	0.9
151.07483	1.2
151.11182	1.9
152.14359	15.1
155.08546	1.5
157.10150	5.3
159.08028	2.2
159.11700	5.3
161.09621	4.3
161.13263	17.0
163.11201	86.8
165.09081	1.1
165.12762	1.4
167.07092	1.2
167.10692	23.6
171.08031	2.8
171.11678	1.2
173.09648	2.0
173.13225	1.3
175.07544	1.4
175.11232	1.7
175.14963	5.0
179.14337	1.9
185.05907	1.9
185.13249	5.8
187.11244	1.3
189.09077	1.8
189.12724	2.2
191.10724	1.3
199.07526	2.4
199.11246	0.9
199.14763	3.8
203.07169	1.3
203.14326	20.4
205.12273	1.5
207.06526	1.0
217.08617	4.2
217.12201	0.9
217.15881	6.2
219.17480	1.1
221.15384	10.9
227.14290	3.3
235.17059	0.9
243.62799	1.1
245.08180	4.7
245.15392	12.7
260.74408	1.0
263.09039	1.6
263.14337	1.6
263.16455	36.3
264.15805	1.1
281.17490	100.0
281.22360	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	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.62199	1.8
53.03953	10.8
55.01871	2.8
55.05517	33.9
55.67983	1.9
56.25327	1.7
57.03439	31.1
57.07054	3.3
61.23653	1.8
65.03926	4.2
67.05508	84.9
69.03453	3.0
69.07073	19.6
71.04976	6.5
73.06564	3.7
79.05499	100.0
80.60382	1.8
80.71258	2.0
81.03426	16.3
81.07059	78.9
83.04985	38.0
83.08625	12.4
85.06532	5.0
91.04908	2.1
91.05489	66.5
93.07050	90.9
95.04982	25.4
95.08616	52.2
97.02897	2.8
97.06564	9.8
97.10174	6.8
98.21510	4.7
105.04524	3.0
105.07042	52.9
105.43254	2.0
107.04964	10.6
107.08596	32.0
109.06555	10.8
109.10155	13.5
110.58348	1.9
111.08081	3.7
117.06999	11.1
119.08591	36.4
121.06468	3.3
121.10162	11.2
123.08081	10.1
123.11700	5.8
127.07595	2.8
128.06219	3.3
129.07021	18.3
131.08571	6.2
133.10121	15.5
135.11731	4.7
137.09654	2.9
139.11211	2.6
143.08609	10.8
145.10089	13.2
147.08099	2.7
147.11697	48.3
149.13257	5.7
150.02740	2.1
151.02864	2.1
151.11192	3.8
159.11722	2.2
161.09648	4.6
161.13280	24.8
171.11694	43.0
189.12729	14.8
207.13815	16.3
235.20674	3.9
247.69353	1.9
263.16510	2.3
263.20111	6.1
281.17511	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	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.07643	2.0
53.03942	11.0
54.28249	2.0
55.01869	6.6
55.05513	40.3
57.03437	23.9
57.07076	21.9
59.05010	2.7
65.03931	4.1
67.05507	90.8
69.03409	4.9
69.07072	34.2
69.90025	2.3
69.96495	13.0
70.42345	2.4
71.04981	3.9
71.08630	16.9
73.06579	3.6
79.05494	100.0
81.03422	13.6
81.07060	88.5
83.04987	42.6
83.08619	16.2
85.06535	5.1
85.10178	7.4
91.05484	69.5
93.07046	74.2
95.04964	26.0
95.08608	63.8
97.06533	9.8
97.10180	14.1
98.97602	3.6
105.07037	60.1
107.04945	15.4
107.08604	32.5
109.02890	7.8
109.06507	13.1
109.10162	21.1
111.08058	4.8
111.11713	6.4
115.05418	2.7
117.07041	15.5
119.08576	42.0
121.06490	5.9
121.10151	16.2
123.08073	8.2
123.11694	7.1
125.13223	3.1
128.06223	4.8
129.07010	19.9
131.08540	8.3
133.06563	3.3
133.10124	19.8
135.11685	4.9
137.09637	3.9
143.08577	14.7
145.10106	19.5
147.08052	5.0
147.11693	43.7
150.02710	2.7
151.02945	4.7
151.11189	2.5
155.08568	2.9
157.10150	5.6
159.11684	8.4
160.96793	2.4
161.09637	5.5
161.13255	23.8
163.11203	3.2
165.05464	2.6
169.10170	4.1
171.11684	39.7
173.13412	2.7
182.79730	2.5
183.11826	4.0
183.32060	2.4
185.13313	4.8
189.12804	16.8
197.13237	3.3
203.61098	2.4
207.13829	16.8
211.14822	6.4
225.16374	3.7
281.17493	73.8
281.22449	38.5
281.28381	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	280.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	3.8
57.07073	2.4
65.03934	0.6
67.05502	0.9
67.31378	0.6
69.34475	3.0
69.34905	1.7
79.05495	1.2
81.07073	1.1
82.07344	0.6
84.04510	78.8
85.02908	1.6
91.05489	57.3
91.31385	0.6
93.07027	0.6
95.08624	1.0
102.05549	21.5
107.08584	0.8
116.04409	0.5
116.07106	6.7
116.67654	0.6
120.08119	0.5
121.10169	0.6
144.06569	100.0
145.04967	0.7
149.02354	8.2
150.02711	5.9
162.07631	19.8
179.29666	0.6
183.35861	0.5
206.73119	0.6
220.09711	6.4
248.09154	2.7
249.60539	0.5
262.10672	1.3
280.11844	2.8
280.16055	1.5
280.19040	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.05271	1.8
55.05516	24.5
57.03419	0.9
57.07080	31.9
57.39281	0.9
59.04962	1.2
62.78064	0.9
65.03928	2.0
67.05514	15.5
69.07074	61.0
70.87689	1.2
70.87998	1.7
71.04990	2.8
71.08638	12.6
71.70802	0.8
79.05121	1.2
79.05503	12.1
81.07064	53.3
83.04984	1.2
83.08626	23.7
85.06532	2.7
85.10175	4.1
89.45284	0.8
91.05474	1.3
93.07057	13.5
95.04972	1.4
95.08613	47.9
97.06526	4.6
97.10181	24.2
97.92062	0.8
98.97574	1.0
99.08102	1.8
99.11673	0.9
103.20994	0.9
105.03365	1.9
105.07024	2.4
107.08600	18.1
109.06499	1.2
109.10165	27.8
111.08073	3.8
111.11723	16.3
113.09618	1.0
119.08585	1.5
121.02861	3.7
121.03934	1.1
121.10146	12.3
123.11710	15.5
125.09635	7.9
125.13247	2.9
129.12729	2.2
129.25752	0.8
131.08586	2.1
135.11710	15.8
137.13274	7.8
139.11205	2.6
147.11819	0.9
149.02353	100.0
149.13263	16.3
151.14821	6.9
153.12761	4.6
160.47092	0.9
163.14851	5.7
165.16432	3.7
167.03444	4.2
177.16357	5.6
179.17986	1.8
191.18016	4.2
193.19452	1.0
205.08574	1.9
205.19479	4.7
206.28404	0.9
209.13333	1.0
219.08046	1.3
235.11476	1.1
251.10548	1.6
261.25797	27.4
279.00580	1.3
279.15765	4.7
279.20889	1.6
279.26819	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	279.1706
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
53.03948	0.9
53.12313	0.3
55.01868	0.4
55.05513	0.7
57.06822	0.7
57.07082	8.3
67.05508	1.0
69.07074	0.9
70.06593	0.5
71.08623	0.8
72.08131	0.4
78.03790	0.4
79.05502	3.9
81.03435	1.3
81.07047	1.7
83.04998	0.6
83.08640	0.6
86.09713	100.0
91.05487	1.6
93.07049	1.3
95.04949	0.8
95.08603	0.8
97.06516	0.7
98.97588	0.5
103.05468	1.1
105.03387	1.2
105.07037	0.9
107.08592	0.8
109.02876	4.3
109.06538	0.5
109.10161	0.5
115.85795	0.4
116.01680	0.6
117.07035	0.8
119.08583	1.3
120.08117	31.5
121.02877	2.3
121.06506	0.4
123.04437	0.4
123.11722	0.4
124.07566	0.4
125.05918	0.4
127.03899	0.5
129.06998	0.5
129.74719	0.4
131.08598	0.7
132.10231	0.7
133.10133	0.5
135.08087	0.5
135.11714	0.5
136.07576	0.8
137.05956	0.6
137.09581	0.5
138.09207	0.8
145.06560	0.4
149.02357	51.1
149.07451	1.7
154.08624	1.1
154.60069	0.4
159.04384	0.4
162.07855	0.5
166.08661	10.8
167.03415	2.0
181.05148	0.4
187.07539	0.4
205.08582	0.9
217.04997	0.4
219.13773	0.4
229.13443	0.4
233.16444	1.5
256.31879	0.4
261.12640	0.8
261.14984	0.7
279.09952	1.3
279.17035	7.6
295.76132	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.05271	1.8
55.05516	24.5
57.03419	0.9
57.07080	31.9
57.39281	0.9
59.04962	1.2
62.78064	0.9
65.03928	2.0
67.05514	15.5
69.07074	61.0
70.87689	1.2
70.87998	1.7
71.04990	2.8
71.08638	12.6
71.70802	0.8
79.05121	1.2
79.05503	12.1
81.07064	53.3
83.04984	1.2
83.08626	23.7
85.06532	2.7
85.10175	4.1
89.45284	0.8
91.05474	1.3
93.07057	13.5
95.04972	1.4
95.08613	47.9
97.06526	4.6
97.10181	24.2
97.92062	0.8
98.97574	1.0
99.08102	1.8
99.11673	0.9
103.20994	0.9
105.03365	1.9
105.07024	2.4
107.08600	18.1
109.06499	1.2
109.10165	27.8
111.08073	3.8
111.11723	16.3
113.09618	1.0
119.08585	1.5
121.02861	3.7
121.03934	1.1
121.10146	12.3
123.11710	15.5
125.09635	7.9
125.13247	2.9
129.12729	2.2
129.25752	0.8
131.08586	2.1
135.11710	15.8
137.13274	7.8
139.11205	2.6
147.11819	0.9
149.02353	100.0
149.13263	16.3
151.14821	6.9
153.12761	4.6
160.47092	0.9
163.14851	5.7
165.16432	3.7
167.03444	4.2
177.16357	5.6
179.17986	1.8
191.18016	4.2
193.19452	1.0
205.08574	1.9
205.19479	4.7
206.28404	0.9
209.13333	1.0
219.08046	1.3
235.11476	1.1
251.10548	1.6
261.25797	27.4
279.00580	1.3
279.15765	4.7
279.20889	1.6
279.26819	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	279.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47787	4.2
70.26369	8.8
98.97588	100.0
110.97593	21.4
116.98611	25.1
128.98630	15.6
146.25159	3.3
147.82413	3.0
151.21245	3.3
158.99657	46.5
165.49844	3.2
170.99637	13.2
177.00725	30.4
189.00679	16.1
207.01759	6.2
219.01793	6.4
237.02843	9.2
255.03905	3.2
279.04807	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03951	6.5
55.05304	1.4
55.05517	15.9
57.07071	3.3
63.02545	1.5
65.03938	2.1
67.05173	2.2
67.05514	29.9
69.07074	15.4
69.22208	3.4
69.22617	9.8
70.52519	1.3
71.04998	1.7
77.03934	1.9
79.05499	73.9
81.07062	33.0
83.04979	2.6
83.08643	7.6
85.06568	1.5
89.27811	1.2
91.04965	2.4
91.05490	28.7
92.02249	1.6
93.07050	100.0
95.04970	4.2
95.08617	26.1
97.06522	3.6
97.10169	2.9
105.04510	1.5
105.07040	16.2
107.07876	2.7
107.08607	53.6
109.10172	12.0
111.08126	1.3
117.07011	2.4
119.08586	9.9
121.10156	47.3
123.11712	3.6
129.06979	2.6
131.08560	5.2
133.10146	11.1
135.11702	52.9
143.08563	2.0
145.10112	4.9
147.11716	9.6
149.13271	21.3
157.10168	1.9
158.96219	1.5
159.11702	4.5
161.13293	4.0
163.11256	1.9
163.14848	5.4
171.11720	3.7
175.11217	2.5
175.14809	1.9
185.13358	1.9
197.48715	1.4
203.14285	1.4
204.69446	1.4
207.13867	2.8
213.16342	2.4
221.15363	4.2
231.17513	2.3
235.16975	5.1
241.19531	2.5
259.20554	6.1
277.21649	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	277.0323
Annotation	selenoneine
Peak:m/z	Relative Intensity
51.91057	10.3
56.96575	20.0
57.07070	17.8
69.21440	10.2
70.59827	14.7
70.60184	33.6
70.98107	12.0
97.02874	14.7
98.97582	45.5
101.00858	13.9
119.01932	14.1
143.01903	33.7
161.02968	30.1
277.03281	100.0
277.07220	45.3
298.65204	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	277.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.05505	1.1
55.28341	0.4
57.07066	0.5
67.05511	3.2
69.03411	1.2
69.07072	3.6
70.06589	0.8
70.93935	0.7
70.94261	0.5
79.05492	2.2
81.03416	1.0
81.07064	3.2
82.02901	0.6
83.04987	0.8
83.08615	0.8
85.02917	2.1
85.06532	0.9
87.04473	2.8
88.04795	1.3
91.05477	1.6
93.07045	2.0
94.06577	1.0
95.04968	0.8
95.08609	3.1
97.06526	1.7
98.97589	0.7
99.08078	0.6
102.48473	0.4
105.07024	1.2
107.08595	1.6
109.02895	0.5
109.06555	0.6
109.10152	1.2
115.05425	0.6
115.07564	0.7
117.07011	0.6
119.08601	1.3
120.08108	1.0
121.06496	0.9
121.10154	2.0
123.08064	0.6
124.07672	0.6
125.05922	0.6
127.03906	1.1
129.07072	0.5
130.06534	41.0
131.08618	0.7
132.04457	11.6
133.06505	0.6
133.10072	0.8
135.08119	0.8
135.11710	0.4
137.05922	0.9
139.07555	0.4
143.08557	0.7
145.10144	0.8
146.05991	1.2
147.08083	0.5
147.11731	0.7
149.09662	0.9
151.07663	0.6
157.07623	100.0
158.06024	35.3
158.07948	0.8
159.08101	0.5
161.09602	0.8
163.14827	3.5
173.13185	0.6
175.08688	34.0
181.15863	1.8
185.07117	0.7
186.05527	0.8
187.14862	0.8
188.72301	0.5
190.12218	0.6
191.12614	1.9
199.08675	4.9
199.11378	0.6
200.62376	0.5
205.15860	0.6
217.09738	41.2
218.08090	2.5
223.17004	1.3
231.13608	0.4
235.10796	11.1
235.17091	0.6
245.09235	10.5
259.10864	10.6
259.13449	0.9
277.08731	0.9
277.11771	6.5
277.13855	0.4
277.16513	5.2
277.21902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1595
Annotation	Huperzine P
Peak:m/z	Relative Intensity
55.05503	1.0
57.48916	0.5
60.04507	1.9
62.99966	0.4
63.29383	0.5
63.77503	0.5
68.48666	0.5
69.07053	1.4
71.80846	0.5
83.08626	4.8
87.04472	45.7
93.07020	1.1
97.06541	2.9
98.20718	1.3
99.04498	0.5
111.08086	0.9
117.05754	0.6
118.06549	3.2
120.08065	0.9
130.06525	1.7
132.08101	7.3
133.08878	8.1
139.07596	0.6
143.10667	2.3
144.08104	0.9
144.13858	4.5
146.06013	14.6
146.09628	2.0
148.07552	1.0
157.07628	2.4
157.08725	0.5
160.07588	1.3
161.08357	3.6
162.12794	2.1
171.10201	6.5
172.11253	3.1
174.96970	0.6
175.08693	0.7
190.12276	37.9
198.11276	1.0
208.09824	0.6
217.09711	0.7
218.11682	0.8
219.12537	1.0
226.10747	2.1
230.13968	0.5
232.09721	1.1
244.11913	0.7
276.15958	100.0
276.21741	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03927	1.4
55.01866	1.8
55.05266	0.8
55.05514	11.2
57.03435	3.2
57.07070	1.1
58.08600	0.5
59.04966	0.6
61.55728	0.6
65.03951	0.7
67.05503	20.5
69.03426	1.3
69.07070	9.5
69.64343	1.1
69.64759	3.1
70.06583	0.8
71.04981	2.3
79.05492	19.0
81.03417	1.0
81.07059	27.1
83.04977	2.2
83.08607	4.1
85.06535	0.7
88.07641	1.5
91.05479	36.7
93.06477	1.3
93.07043	19.8
95.04968	1.8
95.08605	14.7
97.06520	2.6
97.10164	1.5
99.08076	1.1
103.05480	1.5
105.04537	0.9
105.07032	49.8
106.08647	1.0
107.04955	5.3
107.08587	15.5
109.06522	6.7
109.10152	6.5
111.08053	1.1
115.05406	0.8
117.07011	10.1
118.07813	0.7
119.08583	32.1
121.06510	3.2
121.10140	8.3
123.08073	5.2
123.11668	1.4
125.09653	1.5
127.07516	0.6
129.06995	2.5
130.07805	0.7
131.08568	12.2
133.06628	0.7
133.10133	38.2
135.08066	7.8
135.11693	5.5
137.09610	1.7
139.11205	0.9
141.07047	0.7
142.07762	0.7
143.08551	2.2
145.10124	11.7
147.08028	1.6
147.11685	15.6
149.09625	6.5
149.13245	0.8
151.11200	1.8
155.08549	1.4
157.10086	3.1
159.11690	8.3
161.09650	2.5
161.13257	5.1
163.11192	3.0
169.10088	2.3
171.11687	2.7
173.13268	5.4
175.11211	1.8
175.14856	0.8
177.12770	1.8
183.11658	2.0
185.13254	2.2
187.11221	1.3
187.14885	1.2
189.12715	1.2
191.14273	0.7
193.12378	0.6
197.13287	2.6
199.14839	1.0
201.12840	1.0
201.16373	1.6
203.14325	2.4
211.14784	1.1
213.16310	0.8
215.14348	0.8
215.17891	0.7
219.13739	1.1
219.17583	1.0
229.19589	1.9
231.11740	0.7
233.15486	0.8
239.17984	4.7
245.13261	0.9
246.14066	0.6
247.20619	4.3
257.18994	9.3
275.14075	2.9
275.20084	100.0
275.27744	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.51672	0.7
53.03952	1.9
55.01861	2.3
55.05269	0.8
55.05512	10.5
57.03423	3.1
65.87509	0.7
67.05505	15.0
69.03434	1.4
69.07078	7.5
71.04979	2.2
71.08604	0.7
71.70869	0.7
77.77480	0.9
79.05495	17.7
81.07057	22.1
83.04962	1.7
83.08622	3.8
85.06551	1.7
91.05482	30.5
93.07044	17.3
95.04963	2.8
95.08616	11.8
97.06519	1.8
97.10143	1.6
99.08073	1.1
103.05476	1.3
104.56164	0.9
105.07032	38.5
107.04953	4.7
107.08599	13.7
109.06508	6.0
109.10168	5.8
111.08067	3.4
117.07024	7.5
119.08577	26.6
121.06508	2.9
121.10143	8.3
123.08079	5.7
123.11657	1.6
125.09629	1.1
129.06949	2.9
131.08566	13.8
133.06497	1.2
133.10132	28.3
135.08064	6.5
135.11713	4.8
137.09601	2.5
139.11165	0.7
141.06973	1.2
143.08554	2.4
145.10123	12.1
147.08069	1.2
147.11694	15.7
149.09637	5.3
149.13278	1.3
151.11174	1.6
155.08569	1.4
157.10144	5.0
158.10963	1.3
159.11684	11.0
161.09636	1.7
161.13255	5.1
163.11174	3.2
169.10127	2.2
171.11670	4.1
173.13278	9.6
175.11159	2.6
175.14816	2.2
177.12750	2.3
183.11681	2.6
185.13271	2.8
187.11179	0.8
187.14767	1.9
189.12648	1.3
191.14276	1.4
197.13252	2.9
199.14841	1.9
201.12733	1.1
201.16382	1.3
203.14320	2.9
205.12292	0.9
211.14766	1.3
213.16290	1.3
215.14421	1.0
215.17896	1.5
229.19501	2.1
239.17950	5.5
247.20660	2.7
257.18991	10.0
275.20059	100.0
275.27719	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	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03944	2.5
55.01866	2.1
55.05268	1.1
55.05513	14.5
55.62590	0.7
55.72985	0.8
56.42881	0.7
57.07072	1.8
59.33630	0.7
63.89394	0.6
65.03925	1.4
67.05509	27.4
69.03403	0.8
69.07069	13.5
71.04998	2.8
71.08643	1.1
73.06554	0.9
77.03956	0.8
79.05497	23.6
81.07063	21.0
83.04978	1.9
83.08640	4.2
86.17528	0.6
88.07603	0.9
90.13627	0.7
91.05487	41.1
93.07052	21.2
95.04969	3.5
95.08609	16.0
95.71201	0.7
97.06541	1.9
97.10159	1.5
103.05444	2.1
105.07037	57.3
107.04953	2.8
107.08599	13.5
109.06532	1.2
109.10162	8.9
117.07014	12.2
118.07783	0.8
119.08590	41.3
121.06492	2.7
121.10155	9.3
123.08047	1.8
123.11716	2.6
129.07002	2.4
130.69319	0.7
131.08582	15.2
133.06450	0.8
133.10138	38.8
135.08060	2.9
135.11720	3.7
137.09607	3.3
141.06973	1.3
143.08548	2.6
145.10129	12.0
147.07982	1.0
147.11694	24.6
149.09641	7.0
149.13240	1.3
155.08545	1.6
157.10143	2.8
159.08028	0.9
159.11713	9.8
161.13280	7.8
163.11166	2.5
169.10150	2.1
171.11694	2.8
172.81506	0.7
173.13249	8.9
175.11273	1.5
175.14819	2.0
177.12703	1.1
183.11719	2.3
185.13281	0.7
187.11180	2.4
187.14813	2.5
197.13326	3.3
201.12790	1.3
205.12297	0.8
219.13770	1.1
229.19533	2.3
233.15341	2.5
239.17918	3.0
247.20523	3.8
257.19070	5.7
275.20087	100.0
275.27710	6.9
276.20667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02386	0.7
53.03932	1.6
55.01625	1.1
55.01875	19.6
55.05269	1.0
55.05514	16.6
57.03436	1.1
57.07073	1.9
59.04984	1.0
64.83420	0.7
65.03938	1.3
67.05508	25.4
69.03421	1.3
69.07069	9.9
69.27383	4.3
69.27807	2.0
71.04987	3.1
72.83273	0.7
79.05495	31.7
80.16803	0.7
81.03417	1.4
81.07062	20.6
83.04981	3.3
83.08609	5.6
85.06544	1.5
88.07622	1.0
91.05486	28.3
93.06477	1.1
93.07053	20.4
95.04967	3.2
95.08602	10.5
97.06538	29.5
97.10192	3.6
102.09233	0.7
103.05449	1.4
105.07035	38.1
107.04964	21.0
107.05582	0.5
107.08599	23.1
109.06533	3.6
109.10153	12.7
111.08088	1.4
115.05466	1.4
115.20227	0.7
117.07027	10.5
119.08585	27.7
121.06502	2.0
121.10149	10.6
123.08054	1.7
123.11713	3.6
125.09623	5.6
129.06978	2.3
131.08568	10.9
133.10139	24.9
135.08064	5.4
135.11688	4.7
137.09627	3.3
139.07512	1.4
143.08566	2.3
145.10117	11.7
147.11702	14.8
149.09625	39.1
149.13185	1.4
151.11214	2.4
153.09082	1.4
155.10667	1.2
157.10080	2.3
159.08145	1.1
159.11708	8.7
161.09608	1.0
161.13278	5.1
163.11172	3.9
163.82973	0.7
165.09099	1.6
165.12749	1.1
167.10599	0.9
169.10101	1.8
169.12277	1.5
171.11661	2.4
173.11769	2.3
173.13272	5.4
175.11198	0.9
177.12784	1.7
179.14345	1.2
183.11681	2.0
185.13188	1.1
187.11177	1.8
187.14853	1.8
197.13345	1.5
211.15051	0.6
213.16362	1.7
215.14343	0.7
215.17979	2.3
217.10081	0.9
221.89040	0.7
229.19521	4.9
232.12357	1.1
233.15390	1.1
239.17989	4.0
245.09674	1.3
245.13326	0.7
247.10730	0.6
247.20596	3.7
257.19009	16.6
259.43625	0.7
260.12115	1.3
275.14029	5.0
275.20078	100.0
275.27789	8.3
292.23273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0528
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
52.01653	1.9
69.03428	2.8
70.44806	7.4
75.97035	2.2
85.02902	6.9
85.20818	1.9
94.06548	2.1
95.06087	14.1
97.02924	2.3
100.07625	5.1
113.00864	3.2
113.07132	54.7
127.03973	2.9
138.05508	7.9
142.53932	1.9
155.01895	5.9
161.03004	2.5
173.03003	2.9
275.05304	100.0
275.12170	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	275.0916
Annotation	Phloretin
Peak:m/z	Relative Intensity
53.03946	0.6
55.01854	0.1
67.01868	0.1
67.05519	0.3
69.07084	0.2
69.39067	1.1
76.79482	0.1
77.03946	0.3
79.05508	1.1
81.07060	0.6
83.08614	0.2
84.21880	0.1
85.02892	0.3
91.05473	0.5
93.07056	0.4
95.04979	0.6
95.08627	0.5
97.06512	0.3
105.04493	0.3
105.07043	0.5
107.04960	100.0
108.05308	0.2
109.10096	0.3
119.08598	0.6
121.06530	0.5
121.10172	0.2
123.04430	0.5
127.03944	1.2
131.05023	0.1
131.08548	0.3
133.10136	0.4
135.11674	0.2
143.08563	0.3
145.10097	0.2
147.11684	0.3
149.06006	1.3
150.05510	0.2
151.03897	1.5
159.11710	0.2
165.12761	0.2
169.04971	11.4
175.14812	0.2
181.04878	0.2
201.16425	0.2
234.04767	0.2
257.19043	0.2
257.21967	0.1
275.09152	3.1
275.13846	0.3
275.17004	0.2
275.20114	1.0
275.23227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
54.19769	1.4
55.05520	16.7
57.07074	5.9
67.05511	23.2
69.06721	2.7
69.07074	32.8
71.08624	2.5
71.45306	1.3
71.55328	1.5
71.55711	1.9
79.05486	8.2
81.06584	2.9
81.07069	65.6
83.08630	12.4
91.05504	8.5
93.07060	35.3
95.08613	70.1
97.10177	11.9
105.07044	23.1
107.08610	49.2
109.10164	51.5
111.11729	3.1
117.07012	1.6
119.08591	21.5
120.18967	1.4
121.10154	41.5
123.11721	42.7
131.08559	1.7
133.10139	16.0
135.11719	26.6
137.13251	12.2
137.60435	1.5
145.10037	2.1
147.11696	15.2
149.13275	42.8
151.14825	5.3
161.13284	25.6
163.14828	25.2
165.16393	3.0
175.14861	13.7
177.16402	17.1
189.16393	19.0
191.18024	9.9
203.17978	16.9
217.19540	32.5
231.21248	3.2
238.76059	1.4
273.22937	3.7
273.25806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47019	0.2
54.98653	0.4
56.96292	0.4
56.96571	7.3
58.07547	0.2
62.39162	0.3
69.53102	2.0
70.95861	0.7
71.95274	2.7
75.14381	0.2
98.97592	100.0
101.00945	0.5
103.57944	0.2
109.42665	0.3
112.92277	0.4
116.98631	37.3
119.01929	0.7
130.93309	0.9
134.99666	7.7
135.00662	0.5
140.00201	0.8
143.01949	0.3
153.00705	0.5
158.01277	0.5
158.99937	0.2
161.02988	0.6
172.94373	5.0
173.03073	0.2
175.04500	0.4
177.00932	0.5
182.23547	0.3
190.95387	2.4
197.95145	0.4
203.02477	0.8
208.96170	1.3
214.95409	2.4
216.28801	0.3
216.98735	0.4
219.01932	0.3
221.01811	0.5
230.98454	0.3
232.96379	5.8
241.94026	0.3
250.97345	2.3
256.96463	15.0
274.97507	75.7
292.98557	30.9
297.99164	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2213
Annotation	3-Oxo-delta4-steroid
Peak:m/z	Relative Intensity
53.03950	3.2
54.54394	1.5
55.05513	11.7
57.03431	1.4
57.07064	3.4
65.03929	2.7
65.18295	1.4
67.05173	2.1
67.05506	28.5
67.68521	1.5
69.03403	1.4
69.07072	18.2
71.04998	1.6
71.55937	2.2
77.03930	1.7
79.05064	2.5
79.05493	39.3
81.03400	2.0
81.07056	69.0
83.04987	3.7
83.08620	9.1
85.06538	2.9
85.48754	1.3
91.05477	42.0
93.07043	92.3
95.04961	4.6
95.08606	67.2
97.10168	3.4
105.04508	1.9
105.07031	69.9
107.04958	2.7
107.08595	86.0
109.02885	1.5
109.06541	7.1
109.10157	31.5
111.11705	1.8
115.05409	1.6
117.07006	12.1
119.08584	41.6
121.06486	1.5
121.10143	33.9
123.08080	4.7
123.11707	13.8
125.09612	2.5
128.06210	2.2
129.06979	6.5
130.07777	2.9
131.08569	23.8
133.10129	32.1
135.11702	26.1
135.97023	1.2
137.09633	3.3
137.13191	3.5
142.07793	1.5
143.08560	9.4
144.09253	2.5
145.10130	34.9
147.11691	53.5
149.13260	21.0
151.11142	1.8
151.14799	1.9
153.06946	2.8
157.10124	10.5
159.11693	33.0
161.13254	40.7
161.14594	2.1
163.11177	1.9
163.14813	12.9
165.12737	4.9
171.11676	9.0
173.13251	13.4
175.14828	11.7
177.12741	5.2
177.16376	4.7
179.14249	2.8
181.06628	2.1
185.13290	12.5
187.14810	7.5
189.16385	5.8
191.18010	2.0
199.14818	17.2
201.16438	9.8
203.17935	7.7
211.14897	2.0
213.09128	2.8
213.12808	2.0
213.16348	12.8
215.18018	5.4
217.15924	2.6
217.19507	5.1
227.17995	3.7
237.16310	2.6
241.08525	4.0
255.21083	86.7
273.11465	4.1
273.18625	9.5
273.22119	100.0
273.25662	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	273.2214
Annotation	androstenone
Peak:m/z	Relative Intensity
51.30635	0.7
51.84255	1.0
55.05500	3.4
55.29343	0.8
57.07066	0.9
67.05186	0.8
67.05514	12.7
69.07056	3.4
71.08620	1.2
71.50939	0.8
79.05498	6.0
81.07066	16.9
83.04990	1.1
83.08611	1.3
84.60947	0.8
91.05496	6.6
93.07050	10.1
95.08612	19.8
97.06526	3.7
97.93453	0.8
105.07034	13.9
107.08614	8.5
109.10157	6.6
117.07031	5.3
119.08579	11.9
121.10117	4.9
123.08032	0.9
123.11714	1.0
128.06232	1.1
129.07027	1.4
130.07831	0.8
131.08589	8.9
133.10150	9.5
135.11710	5.1
143.08577	3.3
144.09331	1.8
145.10143	13.4
147.11696	10.6
149.13278	2.1
157.10104	5.6
159.11707	36.2
160.22450	0.8
161.13292	9.1
163.11150	1.7
169.10146	1.0
171.11716	3.3
173.13300	11.7
175.14891	3.9
177.12784	2.2
185.13254	7.2
187.14804	4.4
189.16306	2.7
199.14841	8.2
200.15688	2.2
206.58723	1.1
207.09258	1.6
213.12758	2.3
213.16417	11.2
213.57742	0.9
215.17957	1.7
221.10802	1.3
227.17900	2.5
228.09677	1.1
229.12425	1.0
235.60919	1.6
236.11278	2.2
237.11986	2.4
243.12070	10.1
255.21101	100.0
273.18863	1.8
273.22156	44.5
273.25757	2.8
274.05908	1.0
283.70245	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2214
Annotation	3-Oxo-delta4-steroid
Peak:m/z	Relative Intensity
55.01866	0.2
55.05512	1.4
62.72944	0.2
64.56491	0.2
65.03947	0.2
67.05176	0.2
67.05512	3.0
69.03434	1.5
69.07079	1.2
71.04993	0.3
71.55592	0.3
79.05492	2.6
81.07066	9.0
83.08626	4.0
85.06541	0.7
91.05482	1.5
91.10225	0.2
93.06482	0.2
93.07057	4.3
95.04970	2.4
95.08617	7.5
97.06515	0.7
97.10186	0.7
105.07043	5.0
107.04993	0.2
107.08605	5.4
109.06530	21.8
109.09476	0.4
109.10172	4.2
111.08117	0.9
117.07017	0.7
119.08595	2.4
121.06483	0.6
121.09320	0.3
121.10156	3.2
121.58592	0.2
123.08087	1.7
123.11704	0.7
126.32893	0.2
131.08603	1.4
133.10149	2.7
135.08107	0.2
135.11716	2.3
137.09607	0.7
137.13298	0.3
138.15022	0.2
143.08568	0.4
145.10129	3.2
146.50101	0.2
147.11702	3.0
149.05968	0.3
149.09665	0.4
149.13293	1.5
157.10136	0.7
159.11694	2.8
161.13272	1.3
163.11189	1.4
163.14830	1.9
165.16219	0.2
171.07964	0.2
171.11751	0.2
173.13292	2.7
175.14856	0.5
177.12778	0.3
177.16394	0.8
181.06523	0.4
185.09578	0.2
185.13260	0.6
186.13965	0.2
187.14812	0.4
189.16405	2.7
191.14330	0.7
199.14857	1.1
203.17990	0.6
213.09091	0.2
213.12769	0.7
213.16405	0.4
215.17960	1.8
227.18124	0.4
243.11664	0.3
255.21103	4.2
273.22141	100.0
274.22458	0.6
290.48184	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2214
Annotation	androstenone
Peak:m/z	Relative Intensity
51.30796	1.6
53.03938	4.4
55.05518	8.4
56.78747	1.2
57.03417	1.4
61.11139	1.2
64.87110	1.2
65.03915	1.8
67.01848	3.2
67.05177	1.5
67.05511	24.1
68.89315	1.1
68.99794	2.7
69.03428	2.5
69.07068	10.8
69.19142	9.5
69.19547	2.5
71.04995	1.6
75.41959	1.3
77.03911	1.3
79.05069	2.2
79.05497	33.5
81.07065	59.3
83.04987	2.9
83.08601	5.0
84.04502	3.2
85.02917	2.0
91.04901	1.7
91.05484	46.9
93.07049	100.0
95.04955	6.3
95.08607	45.4
95.09097	0.8
95.09232	1.3
97.02873	2.4
97.06516	1.8
97.10201	1.9
102.12800	1.6
105.04503	1.6
105.07036	77.5
107.04978	1.7
107.08603	91.7
109.06504	1.7
109.10170	20.1
111.08098	10.3
117.07018	11.1
119.04938	9.3
119.06002	1.7
119.08588	44.2
121.06497	1.8
121.09310	2.5
121.10140	29.1
123.04472	1.3
123.08089	3.6
123.11698	4.5
125.09667	1.8
127.03880	1.5
129.06998	4.2
130.05002	2.9
130.07802	2.9
131.08577	22.7
133.10130	31.2
135.11696	18.8
137.09615	2.3
137.13258	2.3
142.07803	2.0
143.08571	9.6
144.09335	2.5
145.10126	35.6
145.11273	1.7
145.88525	1.2
147.04424	26.9
147.11694	54.6
149.13271	19.6
149.14398	2.3
153.01839	76.9
153.06996	1.7
157.10168	8.5
159.11700	36.7
159.54111	1.1
161.13263	36.4
163.11147	2.2
163.14824	7.0
165.12714	3.6
169.10187	1.9
171.02885	6.8
171.11713	10.0
173.13277	14.4
173.99130	1.3
175.14804	10.6
177.12761	6.7
179.03342	1.3
179.14307	3.7
181.06505	4.5
185.13307	14.5
187.14839	7.1
189.16484	1.5
191.14311	2.4
199.14847	19.4
201.16371	11.8
203.17986	5.6
213.09148	2.6
213.16432	15.8
215.17947	7.8
219.17595	1.3
227.17844	6.1
229.08630	1.4
241.08635	3.8
255.21103	94.5
273.07593	57.6
273.10733	2.3
273.18787	3.9
273.22134	98.5
291.43835	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03936	2.4
55.01864	3.2
55.05515	23.3
55.66787	0.6
56.96558	2.0
57.03429	1.6
57.07052	0.7
58.37181	0.7
59.04993	1.2
67.05180	0.9
67.05511	12.5
69.03406	1.3
69.07075	9.2
69.40839	5.0
71.04987	1.2
73.63350	0.7
79.05501	14.1
80.48347	0.7
81.07060	17.8
83.04983	2.0
83.08621	8.7
85.06533	1.6
91.05486	29.6
93.07037	11.5
95.04964	2.1
95.08616	8.8
97.06545	2.4
97.10166	6.8
99.08107	0.8
103.05469	1.7
105.07037	29.6
107.04943	1.5
107.08590	6.7
109.06544	2.6
109.10155	1.4
111.08079	1.6
115.05460	3.2
116.06232	3.1
117.07024	23.8
119.08581	12.7
121.06506	2.1
121.10178	3.3
123.08076	2.0
125.09617	3.0
128.06223	8.2
129.07007	12.4
130.07787	7.4
131.08577	54.0
133.06476	3.1
133.10138	6.8
135.08112	1.6
135.11696	2.0
137.09576	0.7
141.06967	2.3
142.07761	2.5
143.08572	51.3
144.09326	1.6
145.06444	1.3
145.10129	61.4
147.08047	6.2
147.11688	3.1
149.09619	1.6
153.06969	1.0
155.08577	2.9
156.09348	1.9
157.10143	13.0
158.10863	0.8
159.08061	2.2
159.11697	14.5
161.09619	5.5
161.13283	1.2
163.07428	0.9
163.11172	1.8
165.06989	0.9
167.08521	1.6
169.10135	6.4
171.08070	2.0
171.11713	8.8
172.12483	0.9
173.09612	1.6
173.13399	1.6
175.11208	2.7
181.10135	2.8
183.11713	2.8
185.09668	1.9
185.13289	4.9
187.11168	1.4
195.11691	7.7
198.10417	1.7
199.11182	2.4
199.14882	1.0
209.13226	1.8
211.14832	1.9
213.12711	8.6
213.16432	1.2
222.14018	0.8
227.17982	3.8
231.10130	1.3
237.16403	14.5
243.11726	1.7
245.18933	3.2
255.17467	15.6
255.20337	1.1
255.21227	1.1
258.14041	1.0
273.12338	2.3
273.15479	4.7
273.18524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.05505	4.2
55.88625	1.3
57.07058	1.4
67.05495	5.5
67.56063	1.4
69.03429	3.1
69.07054	5.8
71.04980	3.8
71.55653	1.7
79.05484	4.5
81.07059	7.6
83.04974	3.0
83.08612	2.5
85.06544	4.1
91.05474	8.0
93.07045	9.6
95.04976	25.3
95.08613	6.1
97.06499	2.8
99.08092	3.1
105.07032	17.3
107.08586	11.1
109.06515	26.9
109.10140	5.7
111.08075	5.4
115.05423	2.0
115.80042	1.3
117.07029	3.8
119.04915	1.3
119.08591	24.5
121.06454	1.6
121.10155	7.9
123.08074	16.7
125.09705	1.5
128.06267	2.3
129.06992	3.9
130.07802	2.2
131.08554	16.4
133.10150	10.5
135.08099	6.5
135.11667	2.6
137.09618	10.8
141.06995	2.5
142.07811	7.6
143.08565	11.7
144.09331	2.2
145.10129	42.4
147.08040	5.6
147.11708	17.0
149.09647	3.7
151.07571	2.1
151.11211	3.5
155.08537	3.2
156.09378	10.3
157.10138	28.2
158.10965	3.8
159.08044	3.6
159.11702	15.4
161.09608	5.3
161.13269	3.8
163.11230	2.5
167.08543	3.4
169.10146	4.2
170.10913	4.0
171.08066	2.0
171.11711	21.6
172.08911	1.8
172.12573	2.2
173.09714	9.0
173.13283	23.2
174.10420	2.5
175.11229	8.1
177.12793	2.9
181.10149	3.3
182.10941	5.5
183.11743	4.3
184.12421	1.7
185.09705	3.3
185.13309	15.1
187.11234	14.8
187.14806	6.9
189.12779	15.1
190.13548	1.4
195.11653	4.1
196.12654	1.6
197.13219	13.7
198.14008	1.8
199.11214	9.3
200.12006	3.1
201.12785	3.3
203.14294	5.5
207.11713	2.2
211.14854	3.7
212.15704	2.4
213.12740	13.0
213.16356	16.5
215.14336	38.6
217.12206	7.8
222.14139	1.6
225.12881	1.7
229.15814	4.6
231.17439	16.2
237.16408	3.8
255.17459	30.5
258.14008	2.2
273.15494	5.7
273.18524	100.0
273.26273	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	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03945	0.6
55.01864	1.0
55.05517	4.7
57.07072	2.0
67.01858	1.9
67.05504	7.0
68.99777	0.7
69.03433	2.8
69.07072	11.1
69.23326	5.0
69.23750	2.1
71.04993	1.0
71.08645	0.7
79.05507	4.5
81.07057	14.3
83.04987	1.7
83.08607	3.2
85.06558	2.0
91.05482	13.8
93.07042	12.5
94.09069	0.7
95.04974	5.1
95.08611	12.0
97.02922	1.4
97.06557	0.8
97.10162	2.2
98.21519	1.2
98.97585	1.0
102.85355	0.6
105.07034	13.1
107.04947	3.3
107.08598	13.7
109.06531	7.7
109.10156	7.8
111.08078	2.3
111.11720	1.9
112.43110	0.7
115.05437	0.9
117.07031	3.2
119.04951	16.2
119.08573	10.8
121.06533	2.0
121.10146	11.7
123.04458	4.2
123.08090	1.1
123.11719	4.8
125.09635	0.9
128.06274	1.3
129.06996	4.7
130.07797	0.8
131.08559	5.0
133.06474	2.9
133.10135	6.7
135.08046	2.5
135.11700	4.9
137.09634	1.1
137.13252	2.0
141.07013	1.1
142.07799	2.9
143.08588	6.1
144.09361	1.4
145.06494	1.2
145.10149	8.4
147.04417	46.7
147.08031	2.1
147.11702	5.5
149.09612	2.5
149.13237	7.8
151.03922	1.0
153.01836	98.8
153.06982	1.6
155.08571	4.6
156.09340	4.2
157.10129	9.3
158.10909	0.9
159.07971	1.4
159.11707	3.8
161.09619	2.4
161.13237	2.9
163.14828	4.8
165.06972	1.7
167.08568	1.9
169.10155	6.4
170.10912	1.9
170.23940	0.8
171.02856	2.1
171.08031	2.1
171.11720	9.5
172.12497	0.8
172.37558	0.8
173.09660	6.4
173.13234	3.0
174.10320	1.0
175.11157	3.2
175.14815	1.3
177.16403	2.3
179.08571	0.7
180.09375	0.8
181.06487	0.8
181.10188	3.0
182.10909	3.5
183.11679	4.0
184.12372	0.7
185.09671	1.6
185.13318	3.9
187.11237	1.1
187.14839	1.3
189.05597	0.7
189.12758	4.4
189.16422	2.0
191.17964	1.4
193.10152	1.4
195.11700	3.4
196.12492	1.6
197.13245	11.8
198.10458	0.8
198.14005	1.9
199.11189	6.5
199.14810	1.4
203.17978	2.1
207.11696	1.1
209.13249	1.6
211.14847	5.3
212.15642	4.9
213.12791	5.7
213.16377	8.4
215.14293	2.4
217.12231	1.6
217.19592	2.3
222.13972	1.5
225.12700	1.5
226.13631	0.9
227.14278	3.9
229.15837	3.3
231.17387	1.3
237.16354	2.6
240.15053	1.5
255.06680	0.8
255.17445	19.9
255.21004	1.7
258.14035	1.1
273.07571	100.0
273.15427	2.7
273.18472	41.5
273.22174	6.9
273.25647	14.7
274.07919	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.8
55.01879	4.6
55.05515	23.8
57.03441	5.4
57.07069	0.8
61.02922	1.4
67.05486	2.2
69.03432	31.8
69.07070	20.6
69.83322	1.4
69.83729	2.6
71.01370	1.0
71.04711	0.5
71.05001	6.0
73.02917	5.5
77.37406	0.6
79.05492	1.5
79.75822	0.6
81.03419	17.8
81.07066	2.9
83.04966	0.9
83.08624	75.9
85.02908	12.3
87.04471	1.2
87.08109	6.0
91.05479	2.8
91.27013	0.7
93.07045	5.6
95.04984	1.7
95.08599	2.1
97.02910	9.5
97.06518	1.7
99.04455	11.1
105.07036	2.1
107.04988	0.8
107.08585	3.6
108.74960	0.6
109.02884	5.8
109.06525	2.7
109.10148	1.2
111.08086	60.0
115.03949	0.8
117.07012	1.1
119.08592	2.8
121.06546	1.0
121.10160	1.0
123.08064	2.4
125.09629	0.9
127.03934	6.7
129.09123	100.0
131.08540	1.7
133.10123	0.9
135.08040	1.6
135.11696	0.7
137.09650	0.8
139.07574	1.9
145.04958	2.4
145.10178	0.8
147.08064	1.3
147.11511	0.6
149.09639	1.0
153.09117	1.5
157.10188	0.6
159.08186	0.6
165.09122	1.1
173.09706	1.4
177.09071	1.0
181.06514	1.4
192.71120	0.7
213.09116	1.1
219.10109	0.9
237.11285	0.9
241.08649	0.6
248.66617	0.7
255.12274	6.1
273.13342	9.4
273.18616	1.2
273.22345	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1124
Annotation	Phoyunbene C
Peak:m/z	Relative Intensity
51.02388	1.0
53.03938	2.4
55.01870	2.4
55.05501	1.8
57.03430	1.5
64.33352	1.1
67.05499	2.6
69.03424	2.7
69.07076	1.5
69.71897	1.2
70.06586	1.3
71.55078	1.4
72.08140	1.5
79.05479	2.0
81.03409	2.1
81.07040	2.1
83.04957	2.0
83.08611	1.4
84.08122	2.2
85.02901	3.5
86.09698	2.6
89.03910	1.7
91.05482	12.5
93.07045	2.5
95.01324	2.1
95.04960	7.2
97.02879	3.5
97.03456	1.1
99.04439	2.6
103.05458	4.2
105.07040	1.7
107.04961	4.0
109.06507	1.2
109.10162	1.2
111.04422	2.2
111.08068	5.0
115.05415	2.0
117.03405	1.2
119.04928	5.4
121.06508	25.0
123.04462	8.6
124.05234	1.0
125.05994	1.7
127.03954	1.8
128.06264	1.8
129.07001	2.3
130.12283	1.8
131.04930	4.2
133.02873	1.4
133.10152	1.5
134.03625	6.8
135.04466	3.1
135.08078	2.1
137.05988	22.9
139.05382	1.2
140.04672	3.7
141.06984	3.2
142.07748	1.5
143.04926	2.5
147.04413	3.0
148.04845	4.8
149.05994	60.8
150.06790	2.3
151.04012	1.3
151.07556	29.4
152.06216	18.7
153.07002	84.8
155.07068	2.6
155.08565	2.3
157.06505	3.3
160.05165	1.8
163.03918	2.1
163.07524	6.4
165.05634	1.7
165.07042	3.9
167.05014	1.4
167.07251	1.0
167.08582	6.4
168.05679	1.4
169.06494	10.7
170.07315	10.9
171.04387	1.5
175.07553	4.3
177.05469	2.0
177.06964	1.3
177.09111	1.8
179.07027	2.5
180.05685	5.8
181.06493	100.0
182.07280	6.6
183.08086	3.1
184.03745	2.6
185.05942	3.2
185.09673	4.2
187.07545	1.4
189.09099	2.3
195.08066	9.9
197.05962	9.4
198.06784	16.6
199.04021	1.4
199.05934	2.7
199.07545	3.6
203.07031	2.6
208.04985	2.4
209.05988	21.0
210.06735	3.5
211.07507	2.0
211.49391	1.0
212.04736	1.7
212.07912	3.5
213.05527	4.7
213.09117	60.3
214.06252	1.9
216.04247	1.4
217.08485	1.6
223.07596	5.2
225.05490	1.4
226.06238	3.8
227.07019	8.2
227.10674	3.3
229.08601	1.4
231.06537	5.0
237.09145	1.4
237.11179	1.5
240.07535	2.6
241.04947	2.5
241.08607	64.8
242.09361	4.9
245.08098	5.3
245.11740	2.7
255.10150	1.9
258.08804	2.2
273.07690	6.3
273.11130	77.1
273.18808	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	273.1123
Annotation	Phoyunbene C
Peak:m/z	Relative Intensity
53.03938	2.3
55.01868	1.8
55.05494	1.8
56.96560	1.4
65.03930	1.8
65.43775	0.8
67.05490	2.7
68.05038	0.8
69.03421	3.5
69.07060	1.7
69.67156	3.2
69.67569	2.0
70.06581	2.3
72.08150	2.4
79.05515	1.7
81.03423	1.7
81.07043	1.7
83.04990	2.3
84.04520	1.5
84.08138	2.9
85.02888	3.6
86.09688	2.6
89.03928	2.3
91.05478	10.7
93.07068	2.6
94.04111	0.9
95.01311	2.6
95.04973	8.5
95.08596	2.0
97.02880	3.2
97.06503	1.8
98.97549	1.1
99.04459	2.1
103.05481	2.4
105.07033	2.0
107.04971	3.6
109.02888	3.1
109.06505	1.6
111.04447	1.6
111.08080	2.7
115.05518	1.8
117.03339	1.9
119.04934	5.2
119.08535	1.2
121.06522	22.8
123.04443	7.5
123.08035	1.7
124.05202	1.1
125.05969	1.8
127.03870	1.6
128.06235	2.4
129.05403	1.0
129.06973	2.8
130.12263	3.4
131.04906	3.7
133.02831	1.0
134.03635	5.7
135.04388	3.5
137.05994	15.5
138.06996	1.1
139.05437	3.0
140.04654	4.2
141.05447	1.1
141.06972	4.9
142.07733	2.1
143.04897	1.9
145.06474	1.3
147.04430	2.5
148.05138	2.0
149.05989	58.4
150.06758	2.9
151.07552	30.5
152.06203	19.0
153.07001	77.9
155.05020	1.1
155.07048	1.9
155.08580	2.9
157.06482	5.4
160.05153	2.0
161.05949	1.0
162.01949	0.9
163.03894	1.6
163.07558	4.5
165.06992	3.4
167.04927	1.8
167.07089	2.2
167.08553	6.4
169.05118	1.2
169.06497	8.8
170.07315	10.0
171.04385	2.1
171.07988	1.4
175.07530	5.6
177.05467	2.0
177.06938	1.4
177.09056	3.2
179.07053	1.6
179.77046	1.1
180.05745	4.5
181.06493	100.0
182.07280	7.1
183.07991	2.6
184.03670	3.2
185.05939	3.9
185.09619	4.1
187.07430	1.9
188.04675	2.3
189.09023	1.1
191.07117	1.1
195.08086	13.3
197.05989	8.3
198.06775	15.0
199.03848	2.5
199.05917	2.6
199.07565	3.7
203.07062	3.5
208.05051	1.7
209.05997	20.3
210.06798	2.1
211.07591	2.2
212.04669	4.0
212.08035	1.5
213.05762	9.2
213.09109	61.3
214.06299	1.9
215.06914	1.7
216.04294	1.7
217.08606	1.1
223.07512	3.9
225.05498	1.7
226.06305	5.1
227.07050	11.9
227.10706	3.2
229.08553	2.5
229.13393	1.2
231.06526	13.9
240.07405	1.0
241.04837	3.7
241.08600	68.4
242.09357	3.4
245.08006	8.3
245.11742	1.6
255.06525	2.0
255.10175	3.0
258.08951	3.4
273.07681	12.3
273.11166	66.5
273.18607	2.3
273.21826	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.1
53.04166	0.9
55.01873	2.9
57.03437	10.5
65.03931	2.2
66.87141	0.9
67.05505	2.8
69.03427	2.3
69.07064	3.6
70.06592	1.3
70.83186	1.6
70.83522	2.3
75.04482	5.1
79.05497	1.4
81.03422	1.4
81.07067	2.0
83.04981	1.0
85.02917	2.3
86.09695	1.2
89.03905	1.3
91.05476	2.2
93.03402	2.0
93.07066	1.5
93.13290	1.0
95.01318	5.7
95.04970	19.4
97.02870	2.2
98.21449	1.0
105.04509	2.1
105.07058	1.7
107.04987	1.3
109.02870	1.5
109.06532	1.2
111.00798	1.0
111.04462	2.3
115.05469	2.9
117.03380	1.3
117.07071	1.5
121.02869	1.4
121.06486	2.9
123.04427	29.5
125.02345	6.8
127.03906	1.9
128.06189	1.5
129.07028	2.8
131.04988	1.0
135.08000	1.2
137.06013	1.8
139.04010	1.1
139.05479	1.2
140.04686	100.0
141.01828	1.7
141.06984	3.6
143.04944	2.1
145.02867	1.2
147.04437	1.3
149.02368	1.2
149.06000	12.0
151.07549	3.4
152.06238	2.1
153.05550	2.1
153.06998	7.5
154.02663	1.2
155.05765	2.6
155.07036	54.0
157.06468	4.2
160.05185	2.8
161.06004	1.2
167.03383	3.0
169.01343	12.0
169.05219	1.1
169.06438	5.1
171.04454	3.2
173.08147	1.9
175.07564	10.9
177.05429	5.7
181.04959	16.2
181.06505	5.9
181.08623	1.4
184.03685	69.3
184.05020	3.2
184.07237	2.0
185.06050	2.6
186.06805	1.4
187.05989	1.6
188.04753	1.1
189.09129	1.6
195.04509	1.7
195.08063	1.2
197.06020	2.1
198.06796	1.6
199.04048	3.7
199.06018	80.5
201.09102	1.4
203.07042	10.9
209.06093	1.4
212.04694	6.9
213.05504	2.4
213.09094	4.6
214.06313	2.1
217.08682	2.8
227.07025	24.4
227.09084	1.9
229.08646	4.3
231.06520	12.6
241.04961	2.8
241.08624	5.7
245.08109	22.1
255.06543	2.6
261.39377	1.1
273.07504	18.5
273.11884	4.4
273.18790	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12626	0.7
53.03946	5.0
53.15839	0.7
54.26921	0.7
55.01860	2.9
55.05496	1.3
57.03443	10.1
60.27035	0.7
65.03638	0.7
65.03934	4.0
67.05504	3.8
69.03415	3.2
69.07080	4.1
70.02412	1.9
70.02803	1.8
71.04990	1.3
75.04481	4.6
79.05483	1.8
81.03425	3.8
81.07027	2.8
83.04969	2.5
84.08112	1.3
86.09686	1.0
86.51166	0.7
89.03909	2.0
91.05472	3.6
93.03384	2.1
93.07021	1.8
95.01326	6.1
95.04972	21.2
97.02872	2.2
97.06544	1.4
99.04464	2.1
105.03432	0.9
105.04536	1.6
105.07035	1.2
107.04911	0.7
107.08555	1.3
109.02872	2.3
109.06511	2.3
110.03648	1.5
111.03288	1.1
111.04453	3.6
113.02354	1.3
114.03731	1.5
115.05458	3.2
117.03350	1.6
118.23067	0.7
119.08572	1.1
121.02845	1.8
121.06493	2.6
123.04430	32.5
123.05331	1.6
125.02331	6.8
127.03915	2.5
128.06235	1.3
129.05534	0.9
129.07022	4.1
129.10201	1.0
131.04906	1.0
133.10135	0.9
134.03583	1.1
135.04382	1.6
137.05984	2.5
139.03902	1.1
139.05380	1.7
140.04684	100.0
141.01796	1.6
141.05522	0.8
141.06984	4.8
143.04892	2.8
145.02832	1.6
147.04390	1.6
147.08107	0.9
149.05997	14.0
151.03850	1.0
151.07500	2.2
151.11121	1.0
152.06203	1.4
153.05438	3.4
153.06976	6.3
154.02560	1.0
155.07037	48.6
157.06508	4.5
157.07576	1.0
160.05190	3.1
161.06020	1.3
162.03172	1.3
162.06847	0.8
163.03928	1.4
163.07527	1.3
167.03415	3.6
167.04877	1.8
169.01314	11.2
169.06500	4.8
171.04373	5.7
171.06621	1.0
173.08054	1.9
174.06827	1.1
175.07545	12.9
177.05470	7.9
181.04947	19.1
181.06506	8.0
181.08542	2.7
184.03680	71.6
184.05168	4.9
185.05930	4.6
186.06815	1.4
187.06125	1.9
188.04643	1.2
189.09171	1.7
195.04520	1.0
195.08058	1.0
197.04417	1.7
197.06032	2.5
198.06711	1.3
199.03972	4.6
199.06007	81.9
199.09785	2.2
203.06985	9.8
205.04886	1.0
209.06059	1.0
212.04701	10.2
213.05424	2.1
213.09077	4.3
214.06267	2.7
216.04123	1.5
217.08554	3.7
223.05923	1.4
225.07703	1.1
227.07007	33.7
228.10342	0.8
229.08591	6.9
231.06532	14.7
238.85129	0.8
241.04976	2.5
241.08699	5.5
245.08081	26.5
255.06480	3.3
273.07556	25.0
273.11774	4.6
273.18848	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	273.0756
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.05510	0.8
57.03441	0.4
64.70004	0.3
66.34389	0.3
67.01861	2.3
67.05505	0.5
67.08395	0.3
68.99778	1.2
69.03432	1.5
69.07063	0.7
69.53540	1.9
71.04987	0.5
71.41296	0.3
79.01829	0.3
79.05493	0.5
81.03477	0.4
81.07034	0.9
83.01330	0.3
83.04976	0.3
83.08611	1.5
85.02925	0.4
91.05486	6.5
93.07064	0.4
95.04979	1.7
95.08607	0.6
97.02892	1.0
105.07033	0.5
107.04960	2.0
107.08617	0.6
109.10152	0.4
111.00778	0.8
111.04458	0.3
111.08087	0.8
119.04948	16.6
121.02878	0.3
121.06505	1.1
121.10157	0.8
123.04426	3.5
125.09592	0.7
129.09126	2.0
133.10112	0.9
147.04416	44.6
149.06006	0.9
151.03944	0.8
151.07579	0.4
153.01833	100.0
157.06482	0.3
170.06102	0.3
171.02917	2.4
179.03407	0.9
181.06430	0.7
189.05507	0.9
213.09244	0.6
213.12784	0.4
217.09692	0.4
231.06482	0.5
241.08624	0.8
245.12802	0.6
255.06639	0.8
260.90912	0.3
273.07574	93.7
273.18585	0.9
274.07898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	Isotoralactone
Peak:m/z	Relative Intensity
55.01915	3.5
55.05550	1.0
57.03473	1.3
59.05034	1.3
67.05544	1.3
69.03483	3.1
69.07076	6.2
70.83470	1.8
71.05019	1.2
71.88328	0.7
76.62192	0.7
77.29105	0.9
79.05562	1.0
81.03485	2.6
81.07110	1.7
83.05029	2.1
84.08201	1.0
85.02956	1.2
85.06596	1.0
89.03487	0.7
89.03978	3.3
90.44033	0.7
91.05536	2.7
93.07092	1.8
95.01337	42.5
95.05032	2.1
95.08663	1.2
97.02946	1.0
97.06567	0.9
99.04489	1.9
101.06094	1.1
105.07094	1.6
107.05054	1.0
107.08643	1.3
109.02950	2.3
111.04498	1.4
115.05461	7.8
115.07621	3.0
117.03396	4.2
117.07062	1.3
121.02937	2.3
121.06569	1.7
123.04472	1.5
125.06026	1.2
127.03976	2.6
128.06224	3.6
129.05547	1.3
129.06999	8.5
131.04967	1.3
131.08618	0.8
133.10191	2.1
134.03683	1.7
137.06006	1.2
139.05450	3.8
140.04831	0.9
141.06995	7.7
143.04936	6.3
143.08569	1.3
144.05733	1.0
145.02882	3.1
145.06558	1.2
147.04485	1.7
149.04796	1.5
149.05995	30.3
151.03979	1.8
151.07654	1.3
151.11223	1.0
152.06226	0.8
153.01872	1.8
153.05547	1.6
153.07037	3.5
156.05739	1.9
157.06500	12.6
158.07332	1.6
160.05237	7.0
161.06029	2.0
162.03244	2.1
162.06847	1.0
167.04950	5.1
168.05704	1.8
168.74385	0.7
169.06526	9.1
171.04424	7.6
171.08038	1.8
174.06786	4.9
175.07549	22.0
177.05482	40.2
181.06483	4.2
181.08734	1.7
184.03650	1.7
184.05183	10.1
184.07037	1.5
185.05956	8.3
185.07178	0.8
186.06795	1.8
187.06038	1.6
187.07565	1.2
188.04788	2.5
189.05482	1.8
189.09102	7.1
195.04449	4.9
196.05244	1.2
197.06023	6.3
199.03931	18.8
199.05928	1.3
199.07584	6.7
201.05525	1.4
201.09172	2.0
202.06294	1.9
203.07048	31.4
205.04994	3.0
209.06050	1.1
212.04700	21.0
212.07826	0.9
213.05490	5.1
213.09145	2.3
214.06245	5.4
215.07025	1.7
217.08606	12.7
223.04015	1.6
223.06061	5.2
227.07031	58.6
229.05022	1.3
229.08524	8.1
230.05727	1.6
231.06532	23.4
240.04219	1.3
241.04939	4.3
241.08678	1.9
245.08105	100.0
255.06520	8.1
273.07559	45.5
273.11179	3.5
273.12115	3.5
273.18683	1.6
274.15466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01881	0.5
55.05518	0.7
56.96582	0.3
57.03465	0.2
60.06633	0.3
65.03910	0.3
67.01872	2.3
67.05524	0.6
68.99789	1.7
69.03442	2.4
69.07065	0.7
70.06583	0.3
71.05000	0.4
71.54893	0.3
73.02895	0.2
79.05502	1.1
81.03448	0.5
81.07067	1.2
83.01360	0.4
83.04964	0.3
83.08632	0.5
85.02924	0.5
85.06553	0.5
91.05488	5.9
93.07056	1.1
95.04987	1.9
95.08610	0.9
97.02912	1.1
105.07049	1.0
107.04952	2.4
107.08591	1.1
109.06499	0.3
109.10161	0.4
110.97510	0.3
111.00824	0.5
111.04452	0.4
111.08128	0.5
119.04955	15.2
119.08588	0.6
121.02885	0.5
121.06516	1.2
121.10148	0.7
123.04435	4.1
125.09644	2.1
127.03907	0.4
128.10757	0.4
129.01828	0.4
129.07047	0.5
129.09123	0.3
131.08600	0.5
133.10107	0.7
135.08023	0.5
135.11703	0.2
139.07578	0.3
145.10135	0.5
145.79570	0.3
147.04420	44.2
149.05960	1.3
149.13263	0.3
151.03938	0.7
151.07571	0.4
153.01839	100.0
153.07008	1.1
154.02184	0.3
159.11676	0.7
169.06386	0.3
171.02893	2.7
171.04277	0.5
173.13246	0.4
175.07564	0.3
177.13037	0.3
179.03407	0.9
181.06561	1.2
189.05411	0.8
198.06804	0.3
209.05888	0.3
213.05704	0.3
213.09122	1.0
231.06567	0.8
237.14877	0.3
237.18515	0.8
241.08656	1.0
245.04398	0.4
245.08131	0.6
245.12801	0.3
247.88667	0.2
255.06581	0.8
261.03430	0.3
273.07581	88.5
273.18472	0.9
274.08023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14537	0.6
53.03947	1.2
55.01871	2.7
55.05513	59.2
57.07072	1.0
57.22789	0.6
60.04532	6.4
67.05513	1.3
69.03430	15.7
69.07074	18.9
69.27018	6.1
70.02956	5.9
78.82888	0.6
79.05502	0.9
81.07057	1.4
83.08625	7.8
88.03996	47.5
95.08647	0.8
97.10176	72.0
102.05547	81.2
104.55583	0.6
107.08613	1.6
125.09656	4.8
128.33846	0.7
130.05011	2.3
145.42142	0.8
146.04463	0.7
148.06053	100.0
152.10663	1.1
177.18903	0.8
194.11794	15.8
212.12799	3.5
226.14384	8.1
240.12433	0.8
254.13857	2.0
272.14935	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	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05504	5.6
57.07082	19.8
60.15384	1.4
66.20901	1.5
67.05503	8.4
69.07066	22.9
69.85558	3.3
69.85963	6.0
71.08633	21.3
79.05500	4.7
81.07060	34.3
82.78915	1.4
83.08618	5.8
91.05478	4.4
93.07052	15.3
95.08609	22.4
97.10165	2.8
105.07037	20.0
107.08595	21.4
109.10162	22.3
117.07033	2.6
118.95720	1.8
119.08572	22.7
121.10151	21.8
123.11716	8.6
131.08583	7.5
133.10139	15.8
135.11703	10.4
135.51450	1.6
137.13326	2.0
143.08572	1.9
145.10101	11.1
147.11687	24.1
149.13257	9.4
159.11685	23.0
159.14803	3.7
161.13240	18.1
163.14777	9.6
173.13333	9.4
175.14853	9.1
177.16383	4.6
187.14825	12.6
189.16377	8.2
201.16394	11.5
215.17934	15.2
224.84645	1.6
229.19482	3.8
233.07829	1.7
271.24207	100.0
271.28006	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	272.113
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
51.67066	0.4
52.25599	0.3
52.49316	0.4
53.03946	0.9
55.01872	0.8
55.05512	0.8
56.05811	0.4
56.96566	7.4
57.03437	2.7
61.02934	3.7
65.03946	4.6
69.03429	6.9
69.03770	0.7
69.66632	1.7
69.67037	0.9
70.06590	1.4
70.98133	0.8
71.04981	1.0
72.08155	0.5
73.02917	2.6
79.05536	0.4
80.05006	0.9
81.03413	2.8
81.07030	0.6
82.06612	0.5
83.01331	0.5
83.06123	0.5
84.04513	1.3
84.96072	0.5
85.02907	18.1
87.04465	1.7
91.03962	1.0
92.05007	60.4
93.05792	4.9
94.06567	9.7
95.06103	0.8
96.08139	1.0
97.02899	6.6
98.20914	1.2
98.21493	0.6
98.97587	13.8
99.04457	1.6
99.97916	0.6
100.07613	0.8
100.99173	0.4
101.00868	0.5
101.02376	0.6
109.02883	1.8
110.06045	100.0
110.07107	3.4
110.97561	2.3
112.99151	1.7
115.00664	0.8
116.98597	2.5
118.01017	0.5
119.01832	1.7
121.01566	0.5
124.99142	1.8
127.00702	0.7
127.02480	0.5
127.03902	3.9
128.02292	0.9
128.04341	0.4
128.98624	1.0
131.00172	0.8
131.01828	0.8
131.05571	0.5
134.99635	0.5
139.03342	0.8
140.02335	0.9
140.98613	0.9
143.00183	2.4
143.01868	0.6
145.01680	1.0
145.05005	2.2
146.99591	0.5
152.02258	0.4
152.07059	2.7
153.05750	2.0
154.03827	0.8
156.03529	0.4
156.07729	0.5
156.98114	0.4
158.99658	3.3
159.03166	0.4
161.01230	1.8
161.02910	1.1
161.54443	0.5
162.03592	0.9
162.06427	0.4
163.03069	0.4
163.04393	2.2
163.12424	0.5
168.03622	0.7
168.05409	0.7
169.04404	2.1
170.96066	0.5
170.99661	1.4
174.99107	0.6
177.00700	0.8
177.04218	0.9
178.04895	2.1
181.07953	0.5
182.03354	2.4
182.04945	0.5
183.02284	0.9
185.01329	0.4
189.00749	0.5
190.04915	0.6
190.55049	1.0
191.03867	3.0
191.05466	0.6
200.04427	1.2
201.00737	0.9
203.02159	0.5
205.00226	0.8
205.03882	0.5
208.14517	0.8
212.04306	0.5
212.09137	0.5
213.03374	1.6
219.01761	1.5
220.04185	0.5
226.04100	0.8
226.15598	0.8
229.00136	0.5
230.98178	1.1
231.01651	0.5
231.07330	0.8
237.02866	0.8
240.61800	0.5
248.99149	2.2
249.02705	0.5
249.08360	0.9
254.10188	3.4
254.15025	0.6
256.05142	0.7
256.99744	0.5
262.57205	1.1
263.06238	1.0
267.00348	1.5
270.16537	0.5
271.57690	0.7
272.06567	1.1
272.11285	38.7
272.15613	4.1
275.00781	1.7
289.02325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.9
55.26348	1.5
57.07072	4.2
57.70221	1.4
64.11826	1.2
67.05511	7.5
69.07075	11.6
71.08614	2.2
71.11794	1.4
79.05492	5.3
81.07056	19.9
83.08614	5.8
87.21497	1.5
87.68223	1.5
90.87367	1.4
91.05467	6.1
93.03935	1.5
93.07048	16.8
95.08617	20.7
97.10183	3.4
98.21550	3.1
105.07027	13.7
107.08601	33.7
109.10165	21.4
117.07032	2.6
119.08584	21.8
121.10149	36.9
123.11718	11.6
131.08575	6.4
133.10147	19.8
135.11691	15.6
137.13252	4.8
145.10139	12.4
147.11690	18.9
149.13245	13.4
157.10126	2.0
159.11699	19.3
161.13260	13.5
163.14816	12.3
173.13277	9.9
175.14845	4.8
177.16403	2.6
187.14830	9.7
189.16431	4.6
197.12878	2.0
201.16348	10.5
213.16330	1.7
215.18002	16.8
218.24020	1.5
229.19557	5.0
253.19489	2.0
271.20862	4.4
271.24222	100.0
271.28146	3.7
287.01645	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05505	3.7
56.62910	1.8
56.63190	1.4
57.07070	9.3
58.07412	2.9
67.05505	9.2
69.07073	11.8
71.08640	6.9
71.55524	2.2
79.05499	4.8
80.86806	1.6
81.07053	16.7
83.08620	4.0
88.75422	1.4
91.05491	4.6
91.74276	1.4
93.07053	12.8
95.08607	17.0
97.10162	2.5
99.18874	1.4
105.07036	17.2
107.08595	22.3
109.10177	18.0
117.07043	2.6
119.08593	17.0
121.10158	26.9
123.11683	7.4
128.24110	1.5
131.08556	6.6
133.10146	17.6
135.11703	11.9
137.13295	2.6
143.49449	1.5
145.10141	11.0
147.11705	13.3
149.13266	10.3
159.11703	20.4
159.15714	2.3
161.13248	10.7
162.33089	1.3
163.14841	8.0
173.13266	10.7
175.14851	6.3
185.13223	1.9
186.66866	1.4
187.14844	10.2
189.16403	2.1
201.16435	11.6
215.17929	15.8
229.19536	3.1
271.24222	100.0
271.28262	23.7
273.37207	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.1
54.76716	2.9
55.01859	10.9
55.05512	19.7
57.03446	17.2
57.07067	3.3
57.81531	2.6
64.40112	2.7
65.03927	5.6
67.05180	3.3
67.05510	54.4
68.55469	2.7
69.03424	10.3
69.06763	2.7
69.07069	28.0
69.45271	20.5
70.01768	2.7
71.04980	12.8
79.05132	3.1
79.05499	39.6
81.03409	10.8
81.07063	100.0
83.04984	16.2
83.08603	11.6
85.02908	4.9
85.06539	14.5
91.05482	55.4
93.07048	84.2
95.04980	16.2
95.08611	49.2
97.06538	28.3
97.10171	4.1
98.20746	6.0
99.04450	20.1
99.08132	2.7
101.06021	5.1
103.75472	2.7
105.03387	3.3
105.07032	66.0
106.03721	3.1
107.04941	9.4
107.08599	64.0
109.02878	12.6
109.06522	39.2
109.09464	5.5
109.10163	67.5
111.08073	8.4
117.07008	9.1
119.04919	6.5
119.08575	32.5
121.05656	4.7
121.06509	77.8
121.10148	20.8
123.04414	5.2
123.08051	8.7
123.11714	24.0
125.06003	6.7
125.09547	3.2
127.03937	5.7
127.07563	13.7
129.06995	9.0
131.08574	13.7
133.06499	4.9
133.09120	4.3
133.10136	83.2
135.04369	4.6
135.08037	16.2
135.11678	15.9
137.05965	11.8
137.09598	3.7
139.07587	17.3
139.11201	3.7
141.07033	5.3
142.07707	7.3
143.08577	10.7
145.10086	12.8
147.04430	3.3
147.08020	5.2
147.11688	62.1
149.13261	7.5
151.11195	40.5
152.06151	6.2
153.06993	20.5
155.08553	12.4
156.09303	2.8
157.06462	5.5
157.08875	3.0
157.10130	19.0
159.11638	9.2
161.09647	7.9
161.13257	23.2
163.14870	6.7
163.92085	2.7
165.07016	41.4
165.12761	24.9
166.07787	3.9
167.10576	3.8
168.05786	5.6
169.06479	5.4
169.10133	4.4
169.12221	10.9
171.11722	15.5
172.63898	3.0
173.13223	9.6
175.11206	27.4
175.14799	9.5
179.10666	2.9
181.06470	14.4
181.10042	3.4
182.07265	4.7
183.08035	24.5
185.05994	2.9
187.14777	3.1
189.12708	25.1
189.16403	4.0
193.06461	7.7
193.12253	22.1
196.05223	3.7
199.11176	26.1
201.16393	6.8
207.04294	3.8
207.13799	11.5
209.15353	4.0
210.06737	3.4
211.07541	28.2
211.13197	5.7
215.12730	3.4
215.17947	8.4
217.12250	95.9
217.19533	6.4
221.05960	10.2
225.09151	3.2
228.07738	3.0
229.14291	5.6
229.19562	3.5
235.13289	93.0
235.16882	4.2
239.07072	6.2
242.09444	4.9
243.10168	4.9
253.14340	57.7
271.06479	5.0
271.09689	76.3
271.15353	57.9
271.20660	10.6
271.24194	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.144
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
67.05492	2.1
69.07047	1.1
71.55693	0.8
79.05481	2.5
81.07059	2.2
93.05782	0.9
93.07027	1.2
94.06519	1.2
95.08584	1.3
96.08141	4.1
105.07024	2.0
106.06571	2.7
107.08572	1.6
108.08124	12.9
110.09663	0.7
119.08581	1.0
122.09655	2.1
129.07001	0.7
134.06027	1.9
136.07587	2.0
144.08087	1.1
147.06813	0.9
155.08586	1.4
157.10124	1.5
158.09633	1.1
168.08096	1.9
169.08879	4.6
170.09734	1.0
171.09120	1.5
172.07581	3.2
174.09084	2.0
175.14787	0.7
181.10095	1.7
182.09761	1.1
183.06686	0.8
183.08072	1.1
183.10455	4.0
183.11826	1.3
184.11194	0.9
184.24519	0.8
185.10709	1.5
186.11494	2.6
188.79970	0.8
193.08878	0.9
196.07565	5.2
197.08354	11.3
198.09114	2.7
198.12784	6.7
199.08690	8.4
199.12311	1.7
200.12965	1.2
208.11121	1.0
209.21725	0.8
210.09210	1.6
210.11328	0.7
211.09904	17.0
213.10220	16.2
214.10980	5.0
215.15500	4.1
223.08792	0.9
225.13863	1.0
226.12277	40.9
227.08340	1.4
227.11792	14.1
228.12587	26.0
239.11853	1.1
241.09831	1.7
242.10506	2.6
243.14937	25.5
253.13388	6.4
253.19456	1.7
254.11723	2.9
255.11269	7.6
256.12082	14.0
271.14420	100.0
271.20590	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	271.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34977	1.8
53.03940	7.9
55.01860	7.8
55.05515	15.0
57.03424	5.9
57.07072	3.8
61.02925	3.7
64.48936	1.6
65.03929	2.9
65.05128	1.8
67.05228	1.8
67.05508	21.3
67.98460	2.1
69.03081	2.6
69.03434	29.5
69.07075	18.2
69.59973	4.0
69.60376	8.8
70.06589	13.3
71.04997	20.0
71.27821	2.0
73.02921	5.2
78.72691	1.7
79.05495	36.2
81.03423	17.9
81.07061	94.3
83.04990	20.8
83.08620	12.9
85.02905	16.2
85.06541	18.0
86.09727	9.5
87.04485	3.3
87.58509	1.8
91.05475	24.6
93.07052	66.6
95.04980	15.4
95.08610	41.8
97.02889	10.7
97.06538	36.2
99.04462	29.7
99.08086	3.7
103.74773	1.9
105.04496	2.5
105.07034	47.3
105.07702	1.6
107.04945	8.4
107.08606	36.9
109.02885	19.5
109.06523	88.4
109.10161	14.8
111.04443	3.4
111.08077	15.8
113.06017	4.6
115.05438	2.4
116.07088	30.7
117.07002	6.1
119.04927	7.1
119.08581	27.8
121.06509	100.0
121.10158	12.3
123.04416	4.8
123.08118	9.1
123.11707	6.1
125.06006	19.5
125.09644	2.3
127.03919	18.4
127.07571	29.1
128.06236	2.5
128.10747	5.0
129.06998	6.1
130.07797	1.9
131.08580	9.0
133.06503	8.1
133.10136	23.2
135.04390	3.2
135.08055	15.5
135.11696	9.6
137.05992	12.0
139.07535	26.2
139.59154	1.9
141.05493	2.3
141.07043	4.8
142.07770	5.9
143.07033	16.1
143.08569	13.9
145.06473	5.4
145.10114	10.8
147.04428	3.7
147.08049	8.5
147.11693	49.6
149.05975	4.6
149.09633	4.0
149.13269	3.7
151.07584	4.4
151.11183	3.7
153.05672	1.8
153.06984	8.7
153.09114	2.4
153.12709	3.3
155.08534	9.4
156.09305	2.7
157.06502	3.3
157.08624	15.2
157.10124	20.1
159.06523	7.7
159.07976	3.2
159.11688	4.4
161.06036	2.7
161.09628	5.4
161.13249	16.5
163.07619	2.4
163.14842	2.5
165.07016	27.6
165.09125	2.8
165.12761	18.0
166.07848	4.2
168.05702	4.3
169.10083	2.8
171.07999	2.5
171.11671	19.6
173.08258	1.9
173.09641	2.8
175.07495	3.9
175.09747	2.9
175.11203	30.8
175.14925	2.6
179.07036	2.2
181.06511	5.3
181.10080	6.2
182.07213	2.4
183.08060	13.8
183.11729	3.0
185.05907	3.5
187.07455	2.2
189.12733	24.2
191.14363	2.7
193.06483	6.9
193.12259	29.0
193.15918	2.0
196.05200	4.0
197.13261	3.3
199.11197	28.4
207.13838	16.6
211.07518	15.1
211.13249	20.9
211.14981	3.0
211.16783	2.0
212.08383	2.5
214.05171	3.0
217.12254	95.8
217.15675	4.4
218.35892	2.1
221.05948	5.4
229.14117	2.2
235.13303	88.1
235.16974	7.0
239.07060	3.1
242.09555	2.3
253.04294	1.9
253.10696	4.8
253.14366	58.0
253.17908	5.1
271.06290	3.8
271.09573	39.1
271.14725	3.6
271.17264	3.3
271.20477	15.1
271.23459	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1176
Annotation	Pentamethoxyacetophenone
Peak:m/z	Relative Intensity
53.03942	3.8
55.01868	3.7
55.05500	1.3
57.03438	4.3
65.03931	1.8
67.05492	2.0
68.99786	0.8
69.03431	11.3
69.07053	1.1
70.06557	0.7
71.04988	2.9
71.21693	1.1
72.08144	1.0
73.02917	33.7
74.64927	0.5
75.04483	4.0
75.38541	0.5
79.05496	1.0
81.03417	12.7
81.07065	1.2
82.58933	0.5
83.04984	0.7
84.08135	0.6
85.02906	7.4
87.04479	0.7
91.05488	3.6
93.03416	4.2
93.07001	1.1
95.04949	2.1
95.08623	1.0
97.02892	6.5
97.06509	0.6
98.97584	0.7
99.04454	15.3
103.03954	3.5
103.05498	0.7
105.07033	1.7
107.04966	1.5
107.08559	0.6
108.02096	1.1
109.02882	30.2
109.06533	0.6
110.03680	5.0
111.04447	2.5
116.07064	0.9
119.04980	2.9
119.08598	0.6
121.06495	1.3
122.03663	1.2
123.04436	1.3
123.08113	0.7
124.05212	0.7
125.05995	41.5
127.03922	27.8
132.72818	0.6
133.10078	0.6
137.05998	3.4
141.05447	1.4
141.07025	1.0
145.04927	2.1
147.04424	2.2
147.06497	4.9
149.05991	3.3
151.03909	100.0
151.04999	7.1
151.07487	5.6
152.06270	0.8
153.06972	2.8
154.07826	0.6
155.08575	1.3
163.07544	3.4
165.06993	8.0
168.05850	1.1
169.05075	1.1
172.59950	0.5
173.05945	0.6
176.44293	0.6
176.96980	0.7
179.05458	1.3
179.07028	20.9
181.06505	2.3
181.08556	0.9
183.08069	3.7
185.05995	0.8
186.12593	0.5
193.06479	1.4
196.05257	0.9
196.68460	0.5
197.06255	1.3
197.08098	22.3
199.09654	1.4
207.04553	0.8
211.07573	3.9
221.05989	1.4
225.07503	3.9
225.09161	0.4
228.07848	0.5
229.05075	0.6
239.06969	0.8
243.10197	0.6
253.07040	1.0
253.10759	4.2
271.05621	0.9
271.09586	5.6
271.11807	28.0
272.10291	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0965
Annotation	Vignafuran
Peak:m/z	Relative Intensity
51.02379	0.9
53.03946	8.9
55.01876	5.7
55.52927	1.0
57.03431	1.9
60.94999	1.1
64.25664	0.9
65.03955	1.9
67.05500	2.0
69.03088	1.8
69.03436	28.3
69.55553	6.3
70.06583	1.6
71.05000	5.8
72.08158	1.7
73.02917	6.6
73.13271	0.9
79.05499	1.1
81.03422	26.6
81.07048	0.9
82.80058	1.1
83.04990	1.9
85.02911	11.4
85.31638	0.8
87.04453	1.9
89.03900	1.6
91.05496	11.5
93.03399	1.1
93.07049	1.1
93.40013	0.8
95.04958	3.0
96.96238	1.0
97.02907	11.9
99.03838	1.8
99.04459	32.0
103.03954	6.1
105.07043	1.8
107.04965	2.7
109.02885	73.9
115.05470	3.0
115.65649	0.8
116.07160	1.3
118.04140	1.7
119.04944	9.7
120.59552	1.0
121.06509	3.7
121.10148	0.9
123.04457	2.4
125.05997	2.5
127.03925	61.2
128.06148	1.0
129.07011	1.4
133.06436	1.4
134.03615	1.1
135.04434	2.0
135.99867	0.8
137.05991	6.6
141.06993	6.3
145.04926	2.9
145.06448	1.1
147.04416	3.3
149.05992	2.7
150.06778	1.5
151.03952	1.3
151.07654	0.9
152.06233	8.0
153.07002	25.0
154.07784	3.2
155.07355	1.8
155.08559	15.9
157.06485	2.9
161.06023	1.3
163.07524	1.4
165.07005	59.8
167.08530	1.7
168.05843	6.8
169.05005	1.8
169.06488	3.6
170.07346	1.3
171.08145	1.5
174.06760	1.1
179.06973	1.5
181.06490	15.6
182.07271	5.0
183.08066	32.5
185.05984	5.2
193.06308	10.6
194.07251	1.2
196.05214	7.1
197.05994	3.5
197.09595	1.0
198.06798	2.1
199.07559	2.8
200.08337	4.0
207.04430	3.0
209.05943	2.2
210.06740	3.4
211.07562	33.2
212.08360	3.6
213.05443	2.8
213.09094	1.9
221.05948	13.0
225.09140	3.2
228.07881	2.5
229.09712	1.8
235.06122	1.8
237.05533	1.0
239.07039	8.3
242.09352	4.8
243.07941	2.0
243.10307	3.6
253.07069	3.3
270.08905	1.1
271.09686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	13.5
54.92836	0.8
55.01865	2.6
55.05512	1.2
56.67499	0.7
57.03445	1.4
57.14316	0.7
60.70348	0.8
66.98807	0.7
69.03436	37.2
70.00489	3.9
70.06606	1.0
71.05004	6.4
72.08154	2.9
73.02927	10.2
81.03423	31.8
81.07079	1.8
83.04989	1.7
85.02911	15.3
87.04475	2.3
91.05486	7.1
95.04974	1.9
97.02908	16.1
99.04463	40.8
103.03957	6.5
105.07070	1.2
107.04977	1.8
107.08607	1.1
109.02891	100.0
115.04684	0.9
115.05451	1.3
116.07131	1.0
119.04992	4.8
119.08585	1.1
121.06544	1.9
121.10139	0.8
127.03931	83.0
129.07063	0.9
135.04395	0.8
136.07649	0.9
137.05980	3.3
140.05362	1.1
141.07031	2.4
145.04955	3.8
147.04451	1.0
149.06052	1.1
151.03981	1.1
152.06273	2.4
153.07007	11.1
154.07762	1.6
155.08557	6.4
157.06544	1.6
163.07611	1.0
165.05602	1.6
165.07016	25.3
168.05765	2.7
169.04991	2.0
169.06546	2.4
181.06487	7.3
182.07323	2.1
183.08058	12.9
183.09447	1.2
185.05981	1.8
193.06349	4.6
196.05296	1.6
197.06032	1.3
200.08327	2.2
207.04417	1.2
209.08083	1.5
210.06767	2.1
211.07556	15.9
211.09422	1.2
212.08405	2.4
221.05956	5.1
235.06158	1.5
239.07150	3.4
242.09457	1.9
243.08035	1.7
243.10364	1.1
253.07053	4.9
266.51138	1.0
271.09799	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	271.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.7
55.01868	3.0
55.05500	2.7
56.05019	0.7
57.03421	3.3
65.25837	0.7
67.05494	2.7
69.03434	42.0
69.07061	2.4
69.85467	4.2
71.05000	7.5
72.58427	0.7
73.02930	8.3
78.79379	0.8
79.05487	2.8
81.03422	35.5
81.07059	8.1
83.04987	2.7
84.32877	0.7
85.02907	17.3
85.06529	1.9
87.04460	2.2
91.05484	5.4
92.82401	0.7
93.07061	5.9
95.04959	1.8
95.08613	4.0
97.02281	1.4
97.02892	15.7
97.03511	1.0
97.06537	2.4
99.04458	45.8
101.02373	1.1
103.03943	7.9
105.07038	4.6
105.65707	0.8
107.04926	1.5
107.08573	2.3
109.02885	100.0
109.06503	2.8
109.10159	1.0
111.08113	1.8
113.05994	0.8
115.05394	0.9
115.07586	0.9
116.60587	0.7
119.04936	3.3
119.08572	2.3
121.06569	4.1
121.07257	0.7
121.10106	1.7
123.08053	1.3
123.11703	0.9
125.06015	0.9
127.03923	83.5
131.08551	1.2
133.10117	2.8
135.08105	0.9
135.11682	1.2
137.05962	2.8
139.07541	2.1
141.06996	1.5
142.07767	1.1
143.08572	1.6
145.04961	4.6
145.10121	3.0
147.04410	1.9
147.11685	3.2
152.06224	1.3
153.06987	5.7
154.07800	1.2
155.08566	3.1
157.10175	2.2
161.13194	1.2
163.07527	1.6
165.06996	11.9
168.05815	1.0
169.04999	2.3
169.06485	1.8
171.11676	1.7
175.11180	1.2
179.07104	1.4
181.06442	3.5
182.07259	1.4
183.08055	7.8
185.06100	0.9
191.06963	1.2
193.06497	2.5
193.12260	1.0
196.05232	1.4
197.06001	1.1
197.13261	1.2
199.11266	1.2
207.04492	1.0
207.13850	1.0
209.06009	0.8
209.08049	1.1
210.06717	1.4
211.07529	8.3
212.08440	1.2
217.12262	3.4
221.05989	2.3
235.05934	1.5
235.13303	2.7
239.07130	1.1
242.09349	1.1
250.55063	0.8
253.07095	3.8
253.14134	1.4
253.19606	1.6
271.09985	17.1
271.14124	1.1
271.17078	1.7
271.20499	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	270.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03738	0.2
53.03954	2.3
57.03434	0.5
61.02922	0.5
63.65543	0.2
67.04248	0.8
67.05509	0.2
67.41492	0.2
69.03439	3.8
69.07072	0.3
69.47724	1.3
71.04987	0.6
73.02913	0.4
79.05487	0.3
80.05025	2.7
81.03427	5.7
81.07053	0.2
82.06589	6.8
85.02908	3.2
91.05495	0.3
93.07049	0.3
94.06560	0.2
96.04495	0.5
97.02892	2.5
98.21482	0.3
99.04478	0.7
107.08601	0.3
108.04490	100.0
108.48798	0.2
109.02880	2.6
109.04793	0.3
126.04574	0.3
126.05527	7.1
127.03929	1.4
132.08165	0.2
134.06029	0.4
146.10506	0.2
148.07573	0.3
162.05519	0.4
164.07085	0.6
171.07837	0.2
174.05533	0.6
174.10010	0.2
188.07233	0.2
192.06561	1.4
210.07591	0.4
214.99907	0.2
219.67767	0.2
225.37556	0.2
252.08704	6.7
270.09747	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	270.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01854	1.0
55.05512	1.6
56.96569	1.9
57.03425	2.6
57.07055	0.9
59.04993	3.2
59.13347	0.7
61.02911	3.4
65.16568	0.8
67.05499	1.2
68.04986	0.8
68.05843	1.9
69.03429	7.9
69.07078	1.6
69.84834	0.7
70.02654	2.5
70.03066	1.3
70.06620	1.9
71.05004	1.2
72.02463	0.9
72.08141	2.4
73.02911	1.5
73.06558	100.0
74.06090	0.8
75.04479	1.9
79.05477	1.5
80.31441	0.7
81.03421	3.9
81.07057	2.0
83.06049	0.8
84.08140	0.9
85.02908	26.8
87.04449	5.5
91.03941	1.0
91.05466	1.7
91.07595	11.7
95.04996	1.0
95.06093	9.0
95.08599	2.2
96.08939	1.7
97.02901	8.2
97.06522	1.5
97.07131	1.1
98.06041	1.6
98.97601	4.5
99.04426	1.7
99.91142	0.9
103.03934	2.4
103.05482	0.9
105.07019	2.9
107.04942	2.3
109.02905	5.7
110.07161	3.8
110.97572	1.4
116.98637	1.8
119.01904	1.3
119.03431	1.3
120.08104	3.9
122.06013	1.6
122.08104	1.4
125.07124	2.4
125.17596	0.8
127.03926	5.7
131.01901	0.9
131.03391	1.9
132.08101	6.0
134.09621	2.8
136.07578	0.9
145.04956	8.3
150.09129	1.3
154.04973	3.4
156.07681	1.3
157.03508	0.8
158.99684	2.3
161.04451	4.9
162.09163	0.8
163.05992	1.7
166.08627	1.1
171.07713	2.0
172.07986	1.9
177.00703	1.1
178.08711	0.9
180.06320	1.0
183.03207	1.0
188.05197	2.0
195.03952	0.9
203.01550	0.9
206.11644	1.9
211.14404	8.5
217.03441	15.8
224.12646	10.2
231.05589	1.2
235.04482	5.7
252.12370	1.4
253.12761	0.9
257.08649	2.1
263.04150	0.9
269.58102	1.3
270.13425	10.8
270.15192	4.8
270.21741	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	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03936	1.8
55.01876	3.3
55.05518	21.9
57.03442	35.7
57.07067	5.8
57.96784	1.4
65.03938	2.8
67.05510	78.7
67.05878	3.7
69.06721	2.3
69.07072	32.6
69.30544	8.5
69.30966	4.2
71.04998	9.1
71.08630	2.7
75.42715	1.4
79.05499	48.4
80.05792	1.7
81.03413	3.0
81.07062	100.0
83.04991	11.4
83.08202	2.0
83.08629	20.3
85.06554	8.6
91.05490	28.1
93.07053	76.0
95.04960	7.9
95.08616	34.1
97.06547	16.8
97.10165	5.6
98.97595	2.1
99.04400	2.5
99.08109	6.6
105.04488	1.6
105.07034	12.9
107.08603	43.6
109.06528	4.6
109.10158	10.4
111.08096	11.4
111.11726	2.2
113.09652	2.2
114.68002	1.4
117.07035	12.2
119.08614	7.6
121.06497	3.7
121.10155	26.5
123.08065	2.3
123.11728	5.6
125.09592	2.0
127.07571	1.8
129.07013	2.6
131.08566	13.6
133.10150	13.9
135.08086	3.8
135.11684	13.8
137.13208	1.7
139.11189	3.8
143.08620	2.6
145.10129	6.4
147.11679	5.5
149.09613	1.7
149.13271	54.9
151.11194	3.7
157.10194	3.9
159.08058	3.0
159.11700	26.5
161.13245	3.0
165.17575	1.3
169.10181	1.9
171.11745	2.9
173.13330	3.9
177.12775	15.7
191.10590	1.8
195.12086	2.3
195.13806	13.8
200.68379	1.3
205.19560	2.7
209.09787	1.6
213.14774	2.0
213.16527	2.0
243.99461	1.4
251.20134	2.2
269.12970	2.8
269.17526	66.7
269.22440	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03941	3.0
53.42993	1.1
55.01863	3.4
55.05275	1.6
55.05513	23.9
55.20123	1.4
57.03441	38.0
57.07054	4.2
63.88110	1.2
65.03937	1.7
67.05508	71.6
69.03410	2.0
69.07069	31.3
69.38206	4.6
69.38633	4.4
71.01330	1.7
71.05003	6.1
71.08643	1.4
73.15801	1.2
77.01524	1.2
79.05494	45.3
81.03400	2.9
81.07059	100.0
81.57273	1.2
83.04997	10.1
83.08622	19.7
85.06548	7.5
91.05487	24.0
93.07047	79.4
95.04950	4.8
95.08611	28.3
97.06532	16.7
97.10166	2.0
98.20773	1.9
99.08072	4.8
99.93296	1.2
105.07045	8.9
107.07874	1.9
107.08604	38.1
109.06539	2.9
109.10152	5.0
111.08077	11.9
113.06018	1.2
113.09528	1.1
117.07043	11.1
119.08574	4.2
119.57978	1.2
121.09333	1.5
121.10155	24.1
123.08081	1.6
123.11691	3.6
131.08565	13.2
133.10150	8.9
135.08012	2.3
135.11682	11.7
139.11205	3.1
143.08542	1.4
145.10092	1.7
147.11667	2.6
149.09561	1.3
149.13269	51.3
157.77333	1.5
159.11699	28.4
161.13202	1.6
167.14343	2.7
177.12743	17.3
179.14294	1.2
191.17865	1.1
195.13824	20.8
213.14900	1.7
269.17468	74.9
292.65839	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03934	2.8
55.01860	5.1
55.05513	18.5
57.03439	28.7
57.07056	4.8
65.03923	1.4
67.05507	68.5
69.07070	30.7
69.22464	12.0
71.04986	6.6
73.02913	1.6
79.05495	38.8
81.03410	1.8
81.07058	100.0
83.04984	10.1
83.08626	19.2
85.06559	9.1
91.05489	21.7
93.07047	67.0
93.07574	1.0
95.04964	7.3
95.08613	31.5
97.06541	17.5
97.10159	4.7
99.08072	5.1
104.29324	1.2
105.07021	10.9
107.08604	35.8
109.02865	1.2
109.06505	5.3
109.10159	9.1
111.08075	19.4
111.11733	2.0
115.05423	1.6
117.07020	8.0
119.08564	5.4
121.06535	1.3
121.10141	25.5
123.08060	1.9
123.11713	4.0
125.09621	2.7
127.07542	2.1
131.08563	8.7
133.10132	11.9
135.08066	3.9
135.11705	9.4
137.13162	1.5
139.11134	2.1
145.10120	3.2
147.11671	2.9
149.09636	1.8
149.13261	55.3
151.24887	1.2
157.10039	1.7
159.11687	23.1
165.09108	2.4
167.14291	2.8
173.13315	1.8
177.12746	13.1
185.13255	1.2
187.11131	1.3
195.13806	16.3
213.14694	1.4
218.74258	1.1
233.18831	1.6
251.23645	5.8
269.17480	73.6
269.22556	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	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03949	2.8
54.42858	1.3
55.01854	2.7
55.05517	22.5
57.03441	37.3
57.03703	1.5
57.07051	4.2
64.44583	1.2
65.03923	2.0
67.05508	77.8
69.03400	2.6
69.07072	30.7
69.46846	9.2
71.04996	9.4
77.03886	1.3
79.05495	48.5
81.03391	4.1
81.07062	100.0
83.04993	11.0
83.08624	18.7
85.06563	7.9
91.05488	23.6
93.07049	71.1
95.04964	7.1
95.08611	38.4
97.06525	18.1
97.10124	4.0
98.97523	2.5
99.08066	5.4
105.07033	12.8
107.04905	1.7
107.08602	40.6
109.06523	6.9
109.09602	1.2
109.10149	13.2
111.08103	8.8
111.08730	1.9
113.05920	1.6
113.09611	1.4
117.07031	8.5
119.08591	6.4
121.06466	3.0
121.10144	24.4
123.08042	2.6
123.11665	5.7
125.05945	2.3
125.09599	1.6
131.08583	10.7
133.10135	12.7
135.08000	3.6
135.11696	12.3
137.08054	1.2
137.09520	1.8
137.13188	1.3
139.07532	1.3
139.11203	2.6
143.08569	1.7
145.10059	3.7
147.11630	3.5
149.09477	2.1
149.13268	49.2
151.11185	2.7
151.14784	1.3
153.09171	1.4
157.10030	2.3
159.11700	25.1
161.13182	2.8
163.11130	1.8
173.13161	1.5
177.12773	10.9
185.13287	1.6
187.11273	1.6
195.13799	15.0
213.16339	1.5
215.14148	1.9
215.17952	4.0
225.83490	1.5
233.11629	2.2
233.15353	3.0
233.18869	2.7
251.12431	2.9
251.14581	2.4
251.20000	3.6
252.15857	2.1
269.08481	2.3
269.13565	8.6
269.17365	59.5
269.22012	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	269.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12299	5.5
53.03945	10.8
55.01860	7.3
55.05510	33.1
67.05506	48.4
69.03445	11.9
69.07058	33.0
71.04991	13.0
71.55997	6.1
71.56364	8.5
77.19682	5.5
79.05487	47.6
81.03410	6.0
81.07043	74.3
83.04967	28.4
83.08614	13.1
85.06544	15.4
91.05485	39.6
93.07041	68.8
95.04977	27.5
95.08611	46.3
97.02887	6.8
97.06550	30.4
99.04475	15.1
101.06004	23.6
105.07033	65.5
107.04937	19.4
107.08600	54.1
109.06525	68.2
109.10149	13.1
111.08115	14.3
113.05997	10.7
115.67076	5.3
117.06994	14.1
119.04932	7.4
119.08597	26.5
121.06514	23.4
121.10140	21.6
123.08047	10.2
123.11726	7.9
125.06018	31.5
127.07571	19.5
129.07014	6.9
131.08553	37.8
133.06439	10.5
133.10118	16.9
135.08101	12.8
135.11687	20.2
137.05959	14.0
139.07533	8.6
141.06970	7.5
143.06990	8.2
143.08594	14.5
145.06451	10.8
145.10120	80.6
147.11696	16.2
149.05969	32.5
149.09624	9.7
149.13223	11.3
151.07439	8.5
153.05496	8.7
157.10170	11.6
159.08017	12.0
159.11694	41.2
161.13217	11.0
163.11185	100.0
169.08617	41.5
169.10101	16.4
171.11617	12.3
173.09627	47.3
173.13324	8.5
175.11110	6.9
181.12257	26.4
187.11203	49.3
191.10684	46.5
195.06519	76.8
197.09650	15.0
205.12245	41.5
209.11723	22.6
209.13495	7.2
213.07542	71.5
215.10695	61.9
223.13255	6.8
227.12793	15.5
233.11768	50.6
241.19359	6.1
251.12770	91.4
251.17879	7.9
251.20128	14.1
255.38007	5.4
269.08698	6.0
269.13718	10.2
269.19043	41.4
269.22583	21.0
277.45224	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	269.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.1
55.01855	8.6
55.05513	27.3
57.03431	9.2
57.07064	5.6
59.04992	4.2
67.05508	40.4
68.63817	4.2
69.03426	9.7
69.07069	29.0
70.48649	4.3
71.04986	16.5
71.38425	4.1
71.55521	5.6
79.05496	43.4
81.03413	6.6
81.07056	100.0
83.04984	25.7
83.08611	14.1
85.06539	16.5
90.36130	4.1
91.05490	44.5
93.07041	78.4
95.04974	25.1
95.08614	63.9
97.02895	7.8
97.06525	34.4
98.97590	11.8
99.04462	9.4
99.08112	6.8
101.02452	5.1
105.07030	64.3
107.04946	20.8
107.08597	61.7
109.06526	31.2
109.10144	27.9
111.04464	4.8
111.08080	8.6
117.07038	18.3
119.04922	7.6
119.08585	27.7
121.06504	35.5
121.10155	18.9
123.08052	8.1
123.11731	9.6
125.05973	28.2
125.09599	5.2
127.07552	8.4
127.29784	5.7
129.07031	9.6
131.08624	28.6
133.06508	12.2
133.10164	23.4
135.08072	12.3
135.11665	24.5
137.05962	13.7
137.09604	9.6
137.13249	6.3
139.07536	7.2
141.06993	5.4
142.07758	4.9
143.07047	9.0
143.08618	8.2
144.09308	10.1
145.06488	9.3
145.10136	69.2
147.11694	16.4
149.09593	5.5
149.13252	16.8
151.07526	7.5
151.11134	4.5
153.09077	4.9
154.07822	4.7
155.08496	4.4
157.08694	8.2
157.10150	13.7
158.07280	6.4
159.08054	8.0
159.11717	53.7
161.13216	10.1
163.11166	79.7
163.14842	5.9
165.09181	5.3
167.08452	4.6
169.10139	14.2
171.11688	10.4
173.01149	5.0
173.09596	49.6
173.13278	14.7
175.14743	5.2
177.12788	10.3
179.08502	5.7
181.06467	8.2
181.12169	25.5
185.13286	12.1
187.11185	41.3
187.14746	8.8
189.12694	7.2
191.07068	4.7
191.10686	27.4
191.14371	10.3
195.13834	7.2
197.09637	17.3
199.14893	6.1
205.12183	32.7
205.15950	5.7
209.11684	10.7
213.16478	9.0
215.10698	56.3
215.14143	6.7
215.17828	6.6
227.12790	14.2
233.11690	45.1
233.15262	9.1
251.12621	30.3
251.16449	10.6
251.20088	13.1
269.08118	19.0
269.13547	22.0
269.17154	8.8
269.22681	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.9
55.05503	20.5
63.32144	5.8
67.05507	30.8
69.03419	9.9
69.07065	23.8
71.04984	16.3
79.05489	50.9
80.09303	4.9
81.03413	8.7
81.07063	63.5
83.04985	28.5
85.06537	15.0
88.10680	5.7
91.05494	31.3
93.07049	60.5
95.04961	29.0
95.08608	36.1
97.02890	9.1
97.06538	39.2
99.04456	12.4
100.11871	5.8
105.07033	80.2
107.04952	25.7
107.08603	46.7
108.04497	25.4
109.02842	5.9
109.06528	38.1
109.10190	12.5
111.08045	8.0
117.07005	16.0
119.04951	14.9
119.08607	17.3
121.06508	48.9
121.10147	9.1
123.08105	6.2
125.06004	41.2
127.07515	5.8
130.07820	5.6
131.08583	21.5
133.06491	9.8
135.08055	14.0
135.11694	17.6
137.05963	14.5
139.07568	10.8
143.07011	16.9
143.08513	7.4
144.09357	9.1
145.06465	12.1
145.10118	85.3
147.11682	14.9
151.07541	7.9
157.08624	7.5
157.10254	5.3
158.07318	7.4
159.08043	10.8
159.11732	48.5
161.09605	5.3
161.13235	8.9
163.11191	100.0
169.10110	12.8
171.11728	5.6
173.09641	60.9
177.12756	5.9
179.08565	9.7
181.12189	33.4
187.11198	58.2
189.12814	8.6
191.10617	27.3
194.02724	6.2
197.09663	20.7
205.12257	26.7
209.11765	22.4
215.10719	79.4
227.12781	21.1
233.11728	61.5
251.12724	24.6
269.17404	8.3
269.22729	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	269.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
55.01873	17.4
55.05516	12.8
55.30241	1.4
57.03439	15.1
57.07076	2.6
59.04988	1.5
62.14551	1.2
65.03938	5.1
67.05512	29.8
67.65124	1.3
68.99812	1.6
69.03429	8.1
69.07075	8.9
70.87588	2.4
70.87923	2.0
71.01356	2.6
71.04996	8.5
73.02913	3.7
76.51070	1.5
77.03949	2.2
79.05502	40.3
80.10750	1.3
80.94589	1.4
81.03425	10.2
81.07062	58.4
82.03771	3.0
83.01337	4.5
83.04985	19.4
83.08625	9.1
83.33321	1.4
85.02932	3.7
85.06548	5.9
91.05486	55.5
93.03379	2.2
93.07057	35.1
95.01340	3.5
95.04971	18.3
95.08615	26.6
97.02895	2.0
97.06529	7.8
98.97602	3.2
99.04451	5.1
99.08131	1.9
101.06032	3.4
103.05477	8.3
105.03407	2.6
105.04520	1.8
105.07042	27.9
107.04966	16.7
107.08603	26.9
109.02907	7.6
109.06529	35.6
109.10175	18.0
111.04438	3.4
111.08091	5.2
113.02401	1.8
115.05479	10.1
117.07028	30.6
119.04957	13.0
119.05730	1.9
119.06010	1.3
119.08586	22.0
121.02880	3.3
121.06512	24.0
121.10147	15.2
123.00819	4.4
123.04430	3.1
123.08052	7.9
123.11716	5.7
125.02347	4.4
125.06031	7.8
125.09627	2.8
127.03895	2.7
127.07576	2.8
127.11189	2.1
129.07019	5.9
131.00171	1.5
131.04922	7.2
131.08577	14.1
133.06508	10.2
133.10130	13.3
135.04437	16.1
135.08064	13.9
135.11769	7.4
137.05992	29.5
137.09621	5.6
139.07536	3.9
139.11183	2.1
142.07732	1.8
143.08580	5.4
145.06497	25.1
145.10135	16.9
146.07271	2.9
147.04413	5.2
147.08078	7.7
147.11719	9.0
149.06003	18.7
149.09630	4.8
149.13274	7.0
151.03914	3.1
151.07532	6.7
151.11203	2.2
153.05472	5.0
153.09065	3.2
155.10683	1.6
157.06575	1.7
157.08824	1.7
157.10086	7.6
158.09717	1.8
158.99741	1.9
159.04425	2.3
159.08107	1.8
159.11707	21.3
161.05977	4.4
161.09610	3.0
161.13243	5.4
163.03897	5.6
163.07570	39.0
163.11206	5.6
165.05495	16.8
165.09142	2.0
167.03305	1.7
169.10132	2.5
171.08035	1.9
171.11697	4.7
173.06000	19.6
173.09630	3.2
173.13272	12.2
174.06772	2.6
175.07611	4.7
175.14836	4.6
177.05499	22.1
177.09052	1.9
177.12779	1.7
179.07057	4.8
181.08612	4.5
181.15820	1.4
183.06551	3.2
183.10129	3.0
183.11647	1.6
185.13274	5.0
187.11215	2.2
187.14827	7.2
189.05496	4.6
189.16338	2.5
191.07048	87.1
191.14365	2.9
193.08548	1.7
195.06540	5.3
199.14777	7.3
201.05487	13.9
201.16324	2.3
205.08630	3.1
205.12183	2.5
205.15927	3.1
209.08122	30.5
209.11613	1.7
209.15398	4.8
213.16408	11.0
215.10739	2.9
215.14278	2.4
215.17886	3.5
219.06540	60.7
223.09706	6.0
227.17891	4.6
233.08026	3.5
233.11760	4.2
233.15347	7.7
237.07574	47.7
243.59149	3.7
244.09270	1.6
251.09171	100.0
251.13148	3.0
251.16269	10.3
251.20146	3.4
255.08667	87.0
269.10312	16.1
269.17429	6.8
269.22665	80.2
276.13568	1.4
284.61990	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01876	11.3
55.05515	6.7
57.03434	15.5
57.07081	3.1
59.05011	2.4
65.03940	4.0
67.05505	14.7
67.44443	1.4
68.99818	2.5
69.03432	8.7
69.07076	7.8
70.06582	2.1
70.13870	1.8
70.85458	4.6
71.01351	2.3
71.05004	11.4
72.08152	1.7
73.02922	4.1
75.04455	1.7
79.05500	30.8
81.03416	5.2
81.07066	33.9
83.05005	10.1
84.08148	11.8
85.02944	3.9
85.06565	10.7
86.09708	4.9
89.03934	3.5
91.05487	43.3
93.03415	4.5
93.07046	19.6
94.04174	1.8
95.01337	5.2
95.04979	15.6
95.08618	9.5
97.02888	2.6
97.06527	8.5
98.97592	2.3
99.04459	6.5
99.08113	2.9
101.06041	1.8
103.05476	9.9
105.03418	1.6
105.04562	2.1
105.07037	28.2
107.04974	17.7
107.08614	13.7
109.02882	4.5
109.06526	29.4
109.10152	6.0
110.07178	2.5
111.04491	3.8
111.08078	3.0
113.06028	5.0
115.03934	2.8
115.05466	13.1
117.03374	8.8
117.07029	30.6
119.04949	14.0
119.08595	16.1
120.08125	4.0
121.02868	3.1
121.06528	17.4
121.10143	7.4
123.00770	8.7
123.04437	5.8
123.08074	8.1
125.06006	4.2
125.09589	3.6
127.03918	2.1
127.07551	4.8
128.06248	2.2
129.06992	8.2
129.10226	3.4
131.04918	6.7
131.08583	6.2
133.02911	1.9
133.06502	7.5
133.10167	8.4
134.03601	2.8
135.03059	4.4
135.04439	17.6
135.08055	18.2
135.11681	2.5
137.05962	22.5
137.09634	5.1
141.01871	2.4
141.05304	2.0
143.08534	3.0
145.02858	15.1
145.06493	35.1
145.10143	7.6
146.07237	3.1
147.04410	6.4
147.08081	11.4
147.11748	2.9
149.06000	14.9
149.09663	4.3
151.03937	2.8
151.07553	5.5
151.11153	4.0
152.04457	2.8
152.05679	49.4
153.04092	4.5
153.06163	37.3
157.06520	3.0
157.10110	3.7
159.04424	4.3
159.08095	2.0
159.11656	4.9
161.05980	4.9
161.09642	7.4
163.03918	6.2
163.07555	37.3
163.11220	5.0
164.10797	2.1
165.05475	24.4
165.09140	6.2
166.03151	2.1
169.10071	3.1
169.84229	1.6
173.05998	24.2
173.07364	2.6
173.09506	2.7
173.13315	2.9
174.06725	3.7
175.07585	8.7
175.11197	3.5
177.05486	53.6
177.09138	2.3
179.07048	4.2
181.08662	6.7
183.06610	5.5
183.10168	6.0
187.11201	7.0
187.14844	1.9
189.05457	2.2
191.07045	76.0
191.10661	7.3
191.14407	2.0
193.08614	2.3
194.03043	1.7
195.06586	7.9
197.11633	2.6
201.05484	20.7
205.08640	9.1
205.12254	6.4
207.10242	1.7
209.08107	19.2
209.11754	5.0
215.10733	6.1
215.14259	3.3
219.06549	53.3
223.07692	3.2
223.09729	8.7
233.08095	5.1
233.11693	12.6
233.15285	8.7
237.07587	39.5
251.09174	100.0
251.12889	16.9
251.16396	6.9
254.09972	2.1
255.08656	13.3
267.40665	1.8
269.10544	16.1
269.14545	27.2
269.17480	5.7
272.42178	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1021
Annotation	Botryolide C
Peak:m/z	Relative Intensity
53.03949	2.9
55.01876	11.3
55.05515	6.7
57.03434	15.5
57.07081	3.1
59.05011	2.4
65.03940	4.0
67.05505	14.7
67.44443	1.4
68.99818	2.5
69.03432	8.7
69.07076	7.8
70.06582	2.1
70.13870	1.8
70.85458	4.6
71.01351	2.3
71.05004	11.4
72.08152	1.7
73.02922	4.1
75.04455	1.7
79.05500	30.8
81.03416	5.2
81.07066	33.9
83.05005	10.1
84.08148	11.8
85.02944	3.9
85.06565	10.7
86.09708	4.9
89.03934	3.5
91.05487	43.3
93.03415	4.5
93.07046	19.6
94.04174	1.8
95.01337	5.2
95.04979	15.6
95.08618	9.5
97.02888	2.6
97.06527	8.5
98.97592	2.3
99.04459	6.5
99.08113	2.9
101.06041	1.8
103.05476	9.9
105.03418	1.6
105.04562	2.1
105.07037	28.2
107.04974	17.7
107.08614	13.7
109.02882	4.5
109.06526	29.4
109.10152	6.0
110.07178	2.5
111.04491	3.8
111.08078	3.0
113.06028	5.0
115.03934	2.8
115.05466	13.1
117.03374	8.8
117.07029	30.6
119.04949	14.0
119.08595	16.1
120.08125	4.0
121.02868	3.1
121.06528	17.4
121.10143	7.4
123.00770	8.7
123.04437	5.8
123.08074	8.1
125.06006	4.2
125.09589	3.6
127.03918	2.1
127.07551	4.8
128.06248	2.2
129.06992	8.2
129.10226	3.4
131.04918	6.7
131.08583	6.2
133.02911	1.9
133.06502	7.5
133.10167	8.4
134.03601	2.8
135.03059	4.4
135.04439	17.6
135.08055	18.2
135.11681	2.5
137.05962	22.5
137.09634	5.1
141.01871	2.4
141.05304	2.0
143.08534	3.0
145.02858	15.1
145.06493	35.1
145.10143	7.6
146.07237	3.1
147.04410	6.4
147.08081	11.4
147.11748	2.9
149.06000	14.9
149.09663	4.3
151.03937	2.8
151.07553	5.5
151.11153	4.0
152.04457	2.8
152.05679	49.4
153.04092	4.5
153.06163	37.3
157.06520	3.0
157.10110	3.7
159.04424	4.3
159.08095	2.0
159.11656	4.9
161.05980	4.9
161.09642	7.4
163.03918	6.2
163.07555	37.3
163.11220	5.0
164.10797	2.1
165.05475	24.4
165.09140	6.2
166.03151	2.1
169.10071	3.1
169.84229	1.6
173.05998	24.2
173.07364	2.6
173.09506	2.7
173.13315	2.9
174.06725	3.7
175.07585	8.7
175.11197	3.5
177.05486	53.6
177.09138	2.3
179.07048	4.2
181.08662	6.7
183.06610	5.5
183.10168	6.0
187.11201	7.0
187.14844	1.9
189.05457	2.2
191.07045	76.0
191.10661	7.3
191.14407	2.0
193.08614	2.3
194.03043	1.7
195.06586	7.9
197.11633	2.6
201.05484	20.7
205.08640	9.1
205.12254	6.4
207.10242	1.7
209.08107	19.2
209.11754	5.0
215.10733	6.1
215.14259	3.3
219.06549	53.3
223.07692	3.2
223.09729	8.7
233.08095	5.1
233.11693	12.6
233.15285	8.7
237.07587	39.5
251.09174	100.0
251.12889	16.9
251.16396	6.9
254.09972	2.1
255.08656	13.3
267.40665	1.8
269.10544	16.1
269.14545	27.2
269.17480	5.7
272.42178	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.7
55.05529	1.6
56.05041	0.5
57.03442	0.4
63.18736	0.4
67.05518	0.9
69.03457	0.4
69.07081	1.3
70.06614	0.5
70.88567	0.3
71.54750	0.5
72.04514	2.0
73.02938	1.1
79.05495	1.7
80.05013	0.3
81.03413	2.6
81.07050	2.3
82.03794	0.6
82.07403	0.4
83.08625	0.5
87.04477	0.8
91.05497	1.1
93.07034	2.7
94.06578	1.3
95.04995	0.7
95.08631	1.2
96.08147	0.8
97.02917	0.4
100.04008	0.5
101.06004	0.4
102.05556	0.6
105.07054	0.8
107.08591	2.2
108.08120	8.1
108.08856	0.4
109.02901	0.7
109.08929	1.2
109.10130	0.4
110.03226	0.4
110.09683	0.8
119.08642	0.4
121.02876	0.6
121.10123	0.6
122.09674	6.8
122.10447	0.3
123.10473	1.3
123.11679	0.4
124.04005	0.5
124.11256	1.5
131.08534	0.5
133.10100	0.4
135.04413	1.7
135.11681	1.9
136.11227	2.5
137.13258	0.5
139.57024	0.3
150.12785	15.9
151.13574	7.0
152.05847	0.4
152.07121	1.1
152.14391	0.4
156.10278	0.4
166.08730	0.6
168.10240	0.5
170.11790	1.5
178.15868	3.6
179.01579	0.4
180.10191	1.3
181.10944	0.3
182.11772	0.7
190.09108	0.4
194.11613	2.0
195.12590	0.7
196.13387	0.6
196.17026	0.7
222.14943	1.8
224.16461	100.0
225.16930	0.4
226.17998	4.4
245.93416	0.4
250.10864	0.4
250.14432	0.4
250.72075	0.4
268.19067	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	267.1955
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
52.84891	1.6
53.03944	5.9
55.01881	4.8
55.05266	2.3
55.05516	28.2
56.96550	2.3
57.03442	22.6
57.07094	9.1
57.08602	2.2
59.04989	5.0
65.03951	2.6
67.05508	47.7
69.03423	13.2
69.07076	47.9
70.47234	1.6
70.50885	6.5
71.04996	13.9
71.08612	2.3
73.02941	2.3
76.49249	1.7
79.05499	30.1
80.28498	1.8
81.03425	97.7
81.07063	100.0
83.04975	10.7
83.08624	32.7
85.02915	5.8
85.06541	7.0
85.95534	1.7
89.06052	2.2
91.05486	34.1
93.07052	55.7
95.04972	29.9
95.08614	78.0
97.02896	3.2
97.06536	20.3
97.10179	16.4
99.08102	3.3
105.03401	4.2
105.07033	43.2
107.04964	6.7
107.08601	43.0
108.46636	1.8
109.06530	10.0
109.10164	64.9
111.04447	3.7
111.08097	20.5
111.11729	10.2
113.05974	2.4
117.07044	4.2
119.04934	2.1
119.08588	46.2
121.06482	8.7
121.10146	35.7
123.04408	2.5
123.08081	9.0
123.11690	23.5
125.09610	3.7
127.07555	2.3
128.06177	1.7
129.07039	9.9
130.07797	1.7
131.08575	13.0
133.06487	2.1
133.10141	28.4
133.80995	1.8
135.08055	4.2
135.11708	13.0
135.13391	2.0
137.09618	13.3
137.13278	6.4
139.07506	3.2
139.11182	8.9
142.07790	5.2
143.08563	4.7
145.10086	8.6
147.08095	7.5
147.11711	25.6
149.09592	11.3
149.13284	13.0
151.11195	6.0
153.09099	4.9
155.10670	5.6
156.09309	2.9
157.10159	15.7
159.11699	4.5
161.09630	2.4
161.13269	9.2
162.23055	1.6
163.11191	4.3
163.14835	7.6
165.12805	5.1
167.10686	2.7
169.10081	2.7
171.11688	7.3
173.13309	4.4
175.11174	14.1
175.14775	2.0
177.16443	5.1
179.17955	2.2
183.11723	3.1
187.14839	5.2
189.16393	16.0
189.17952	2.4
193.12231	25.1
203.10657	2.1
203.14378	2.8
203.17979	13.7
205.15996	2.8
207.17490	2.0
211.13214	4.0
213.16386	16.7
221.19029	7.7
223.16870	3.6
231.13908	2.6
231.17487	13.9
249.11140	2.3
249.14928	4.1
249.18468	20.7
267.06595	2.3
267.15955	75.9
267.19592	19.3
284.87415	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03955	3.4
55.01874	2.4
55.05515	6.7
57.03445	20.3
57.07082	1.0
67.05513	12.9
69.03442	2.0
69.07075	3.4
69.90525	1.4
69.90910	1.5
71.01312	0.7
71.05002	1.4
79.05500	11.8
81.03426	100.0
81.07063	11.5
83.04993	5.1
83.08630	14.1
84.21233	0.6
85.06545	0.8
91.05492	18.0
93.07048	7.4
95.04979	20.0
95.08611	5.0
97.02905	2.0
97.06524	1.9
97.10178	1.8
98.98492	1.6
99.08035	0.6
103.31010	0.6
105.07035	10.0
107.04969	5.1
107.08590	4.2
109.06512	3.2
109.10190	1.9
111.04460	1.7
111.08091	4.7
115.05447	1.8
119.08598	11.7
120.43186	0.7
121.06541	1.9
121.10150	4.9
123.08057	1.4
129.07039	9.1
131.08604	7.5
133.06512	2.2
133.10181	3.2
137.09608	1.4
142.07819	2.1
143.08598	0.7
145.10165	1.5
147.08064	1.9
147.11697	7.1
149.09616	3.7
157.10146	7.3
159.11684	0.6
163.11183	0.6
165.12790	1.7
169.10133	0.6
175.11191	8.6
185.13304	0.7
193.12265	20.7
198.32909	0.6
205.12248	1.1
211.13303	3.5
231.13667	0.6
237.14958	0.8
248.63887	0.6
249.14882	1.3
267.15927	70.1
267.20709	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	17.3
55.01880	17.2
55.05509	13.4
57.03452	16.0
58.66096	3.8
59.04990	4.6
65.03932	5.6
67.05508	24.4
69.03424	9.7
69.07057	12.4
69.86255	10.2
69.86661	6.3
71.01351	6.3
71.05003	18.0
71.13198	3.1
71.57636	2.9
79.05069	3.9
79.05494	53.8
81.03419	90.1
81.07056	35.3
83.04968	19.9
83.08607	13.3
85.02881	5.0
85.06538	8.1
89.02371	5.8
91.04968	5.5
91.05487	59.9
93.07031	25.9
95.04973	49.8
95.08604	11.2
97.02882	6.2
97.06550	23.3
99.04461	6.9
100.95463	3.3
103.05447	4.8
105.03388	12.9
105.07042	52.3
107.04970	44.1
107.08592	11.3
109.02879	23.6
109.06522	12.7
109.10169	5.9
111.04469	6.7
111.08074	8.8
113.06042	6.1
115.05467	12.2
116.06270	4.1
117.07002	13.8
119.04952	12.8
119.08594	21.3
121.02885	3.7
121.06496	11.5
121.10166	6.9
123.04477	4.7
125.06019	28.4
127.03893	8.2
127.07553	6.7
128.06210	20.4
129.07053	22.4
131.04869	8.4
131.08566	35.8
133.06458	10.3
133.10135	28.0
135.04396	19.7
135.08110	6.0
135.11678	5.5
136.06194	38.4
137.04578	39.8
137.05896	19.6
137.06587	15.0
137.09554	5.3
141.07005	9.1
142.07787	17.8
143.07071	5.0
143.08559	29.9
144.05762	5.8
145.10117	7.7
146.07289	4.1
147.08070	14.3
147.11702	9.0
149.05977	15.3
149.09695	6.1
151.03871	7.8
157.10133	19.2
159.08076	28.7
161.06053	6.0
161.09622	30.1
163.11160	4.3
167.08508	5.4
170.07338	3.6
171.08037	13.2
175.11205	12.4
179.10677	3.5
185.09596	20.4
189.09123	56.5
193.12253	22.5
203.10698	14.3
207.10193	45.5
213.09018	7.7
221.11702	7.8
231.10188	12.0
235.13821	12.3
249.11226	40.3
249.14909	10.5
267.08398	4.6
267.12296	38.5
267.16104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1228
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
50.62151	1.3
53.03929	2.7
55.01869	2.9
55.05498	5.6
57.03446	6.0
60.62690	1.2
67.05511	10.4
69.03431	4.3
69.07064	4.0
69.90148	6.4
70.32716	1.2
71.04990	4.2
74.36642	1.2
79.05502	12.4
81.03424	32.1
81.07062	14.0
83.04976	5.6
83.08596	4.1
85.02911	2.9
85.06538	2.5
87.04457	1.3
91.05486	13.9
93.07051	8.4
95.04984	10.5
95.08613	8.6
97.02908	2.0
97.06515	4.7
99.04452	2.0
101.03854	1.4
103.05479	2.0
105.07037	12.1
107.04953	5.4
107.08601	8.4
109.02882	2.0
109.06524	4.4
109.10159	5.2
110.83765	1.2
111.04446	2.4
111.08087	4.5
115.05481	3.0
116.06239	1.4
116.72015	1.5
117.07016	3.7
119.05014	1.4
119.08594	9.4
121.06486	3.0
121.10135	4.4
123.04489	1.3
123.08088	3.0
125.05998	1.3
125.09624	1.9
128.06226	5.6
129.07018	16.1
131.04912	2.1
131.08577	15.9
132.05652	1.5
133.06474	3.6
133.10173	9.9
135.04427	5.5
135.08041	4.2
135.11684	1.5
137.05994	2.9
141.06969	6.8
142.07820	2.7
143.08556	5.6
144.05724	6.5
145.06488	4.0
145.10083	3.7
146.07217	2.0
147.08032	2.5
147.11693	7.9
148.96002	1.3
149.09602	3.4
149.13191	1.4
151.07538	2.7
151.11208	1.7
153.05525	1.8
153.06914	1.8
157.06502	5.6
157.10153	6.6
159.06828	2.0
159.08070	20.9
159.11713	2.2
161.05998	3.8
161.09648	7.6
163.07394	2.0
163.11211	2.4
164.01665	4.7
165.12805	1.9
167.07065	2.4
169.08630	3.8
169.10027	1.4
170.07304	4.9
171.08057	4.8
171.11694	1.3
172.05200	1.8
173.06013	3.6
173.13274	1.3
175.07477	2.2
175.11163	5.5
179.10704	1.7
181.08688	2.4
185.09503	1.4
185.19772	1.4
187.07570	14.5
189.05521	2.2
189.09128	8.2
193.12248	7.6
199.07529	1.4
203.07036	3.9
203.10696	2.4
204.07896	6.1
207.10161	3.2
216.07861	2.1
219.10129	7.1
221.11731	2.9
221.15524	1.3
231.10126	6.5
231.13744	4.0
237.11226	3.5
249.11243	100.0
249.15196	3.4
249.18434	2.6
251.36519	1.5
267.15982	26.7
267.19290	1.4
267.19833	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01867	2.7
56.96335	0.8
56.96571	10.2
57.03437	5.1
59.05005	14.0
61.02929	11.6
67.05519	1.6
67.36719	0.6
69.03080	1.2
69.03436	18.3
69.11070	0.7
69.23083	4.7
69.23497	2.3
70.06590	1.0
70.75087	0.6
71.04987	3.2
71.95274	0.8
72.08156	1.3
73.02918	9.9
74.97604	0.9
79.05483	1.3
81.03425	6.7
84.04485	1.5
84.08170	0.9
84.96053	0.9
85.02911	77.2
87.04469	6.1
91.03957	5.9
94.06570	9.4
95.04980	1.5
97.02900	20.6
97.81478	0.7
98.97591	22.9
99.04448	3.9
100.03995	1.3
101.00845	1.6
101.02358	1.2
102.96868	1.0
105.03408	7.6
105.05518	1.0
106.06567	2.6
107.04940	1.6
109.02887	7.2
110.01286	1.1
110.97580	5.5
111.04424	1.1
114.97002	1.0
115.02422	0.9
115.03908	1.3
116.98617	5.0
118.05026	0.8
119.01840	2.9
120.04494	0.9
122.06036	6.4
122.07160	1.9
123.04465	1.0
124.95609	0.6
124.99086	1.1
127.03923	17.8
128.02313	1.2
128.98621	2.4
130.06555	0.8
131.04848	0.6
132.98074	1.7
134.99648	1.0
137.06033	0.9
143.00208	3.3
143.01880	0.9
145.01735	0.8
145.04974	23.0
146.02295	1.6
146.08134	1.1
146.99628	1.0
147.04416	1.2
149.02811	0.7
150.05513	100.0
150.99200	1.6
152.05737	1.0
153.06599	2.8
155.01910	0.7
156.98029	0.7
158.99622	5.8
161.01204	1.9
161.02802	0.8
163.06033	3.0
165.03088	1.7
170.96082	0.9
170.99660	2.3
171.01358	0.7
173.03017	0.9
174.03557	1.1
174.99184	1.5
177.00726	2.8
177.04169	1.8
182.03297	1.0
182.06038	0.8
186.04666	2.0
188.97043	2.3
189.00740	1.9
189.02417	0.6
190.04991	0.9
191.02335	0.9
191.03865	3.4
193.00159	1.6
200.04361	1.1
201.00784	2.6
201.04202	1.7
206.98141	2.0
207.01692	1.2
207.04248	1.3
209.01353	0.7
219.01804	2.4
221.05086	1.0
226.05711	0.7
227.02362	0.8
231.03416	0.8
237.02870	2.0
237.05180	12.1
237.55403	1.8
244.06831	1.0
246.05663	6.3
246.55945	1.2
248.99263	2.5
267.00162	4.5
267.07565	0.6
267.09769	7.5
267.13431	6.5
285.01340	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22680	0.3
54.56275	0.3
59.04995	0.6
61.02926	0.9
69.51676	0.3
70.69410	0.4
70.69742	0.7
71.04993	2.0
79.05502	0.7
81.07053	2.2
81.21067	0.4
84.04508	3.6
91.05492	2.8
94.04036	0.7
102.05527	1.0
109.05191	0.4
119.03553	2.5
130.04999	5.5
136.06187	100.0
137.04657	0.8
138.66779	0.3
145.37204	0.3
148.06088	1.5
151.91101	0.3
162.58260	0.3
234.13501	19.1
254.57233	0.4
266.16116	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	0.9
70.09650	1.6
82.99860	1.2
98.21420	0.7
98.97579	3.5
99.97918	0.6
101.00888	7.2
116.98663	0.8
119.01935	6.1
134.99883	0.6
137.02910	0.5
140.98819	1.8
158.99890	5.0
160.46071	0.5
175.02966	0.5
177.00975	12.5
182.66115	0.4
182.99925	1.7
199.03110	0.5
201.00914	4.7
201.02307	0.4
217.04028	2.3
219.02029	18.2
220.02098	0.6
225.00729	2.3
227.22043	0.5
242.95769	0.4
242.99464	0.5
243.02000	18.0
261.03082	100.0
262.03241	0.8
265.95236	0.4
284.04639	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02714	0.5
59.05003	0.9
60.04534	10.7
69.66091	4.1
70.02953	5.7
72.12023	0.6
88.03993	52.9
91.05484	83.6
98.21479	1.2
102.05545	100.0
106.10795	0.5
113.02383	0.6
130.04982	2.3
146.05960	3.5
148.06052	63.3
169.21333	0.7
206.08147	3.3
218.63145	0.7
220.09677	8.5
223.39542	0.6
234.07587	2.4
248.09093	2.6
266.10175	3.1
268.57166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11759	0.3
67.05501	0.6
69.07081	0.5
69.24936	3.8
70.02971	0.7
74.82551	0.3
75.09956	0.3
79.05509	0.7
81.03463	0.4
87.00831	2.9
88.03963	0.5
91.05460	1.9
93.07043	1.7
95.04999	0.5
95.08638	0.5
102.05551	0.6
103.05471	4.8
105.07069	0.5
107.16184	0.4
118.06557	9.3
118.07365	0.5
119.07304	0.4
120.08110	100.0
121.06512	1.9
134.70497	0.4
146.06012	13.5
148.06050	0.5
150.94676	0.5
174.06302	0.4
180.10213	2.8
188.07077	19.8
206.08133	84.3
216.06522	1.0
234.07660	2.6
248.09308	1.4
266.10178	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.18
Annotation	Quadrangulin A
Peak:m/z	Relative Intensity
53.03948	5.9
55.01865	7.2
55.05517	19.4
57.03430	5.1
57.07069	7.7
59.04977	2.1
60.47503	1.6
60.90171	1.8
65.03941	2.0
67.05508	40.5
69.03430	24.5
69.07072	45.8
70.66689	5.2
70.67049	2.0
71.05003	17.9
71.08621	3.2
73.02934	2.1
73.06555	3.1
73.17528	1.7
75.97616	1.8
76.51843	1.6
77.15517	1.7
79.05494	21.3
81.03424	3.3
81.07063	100.0
83.04984	5.8
83.08618	16.5
85.02955	2.1
85.06551	5.3
87.04462	2.2
89.24394	1.7
91.05479	18.6
93.07048	48.7
95.04983	13.7
95.08612	62.0
97.02894	4.7
97.06522	18.1
97.10174	8.7
99.04465	4.6
99.08080	4.0
101.05946	2.2
105.07040	31.6
107.04973	3.4
107.08602	54.0
109.02876	1.8
109.06535	10.7
109.10168	43.9
111.04447	51.6
111.08077	8.5
111.11714	4.6
112.13879	2.0
113.05996	5.3
113.09641	2.5
115.03991	3.8
115.05458	3.0
117.07047	11.1
119.08587	27.8
121.06523	11.3
121.10151	33.7
121.11497	2.4
122.07156	2.9
123.08047	6.0
123.11723	19.8
125.05997	17.3
125.09658	9.4
127.07597	2.3
129.06984	3.2
131.08568	13.9
133.06500	2.1
133.10141	19.2
135.08084	12.2
135.11713	26.9
137.09680	4.5
137.13237	11.4
139.07536	6.2
141.07021	2.5
143.08566	4.8
145.06493	6.5
145.10118	21.7
147.08070	5.8
147.11725	10.1
149.09615	13.7
149.13293	14.3
151.03815	2.0
151.07585	2.7
151.11197	4.2
151.14809	3.0
153.09111	6.1
155.08553	2.6
157.10170	2.5
159.08058	2.3
159.11723	16.5
161.05966	1.9
161.09590	4.5
161.13249	9.8
163.11243	9.4
163.14836	4.1
165.09062	4.1
167.10678	14.3
169.10144	6.6
173.05986	6.4
173.09698	5.9
173.13240	3.6
175.11238	2.1
175.14798	6.6
177.09187	2.1
177.12778	7.3
177.16348	6.3
179.10721	2.5
181.12263	11.5
185.13283	4.7
187.11160	3.5
187.14798	13.8
191.07021	2.4
191.10791	3.1
191.17900	8.8
195.13907	2.3
196.12556	2.5
201.16360	15.0
203.14294	3.0
205.08598	6.4
205.12137	3.1
205.15930	2.3
209.18927	11.5
211.14816	8.3
217.08643	2.3
219.10083	2.1
219.13853	2.0
219.17462	15.8
221.11760	3.0
221.15373	3.7
229.15900	16.6
229.19392	2.1
237.18523	23.6
247.09657	2.4
247.13307	3.8
247.16959	23.3
247.24306	7.3
265.08569	5.5
265.14090	4.1
265.14828	4.5
265.17841	37.8
265.22144	2.2
265.25204	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	265.18
Annotation	[S-[R*,S*-(E)]]-2-Methyl-6-(4-methyl-2-oxo-3-cyclohexen-1-yl)-2-heptenoic acid methyl ester
Peak:m/z	Relative Intensity
53.03932	2.7
55.01881	10.1
55.05510	17.4
57.03429	3.1
57.07068	6.9
65.03930	2.5
67.05181	2.0
67.05509	33.5
69.03081	1.8
69.03432	27.4
69.07070	46.0
69.18521	13.9
71.04992	17.9
71.08620	2.3
78.00539	1.3
79.05071	2.1
79.05496	29.9
81.03410	1.7
81.07059	100.0
83.04984	8.9
83.08620	16.3
85.06537	3.0
87.04472	1.9
91.05471	17.6
93.07050	54.6
95.04976	14.1
95.08611	56.3
97.02872	4.8
97.06534	19.6
97.10201	6.5
98.97544	1.4
99.04475	6.2
99.08062	1.5
105.07037	30.0
107.04957	3.0
107.08600	64.2
109.02892	1.9
109.06519	13.0
109.10163	43.0
111.04449	73.7
111.08080	8.2
111.11687	3.4
113.05988	6.1
113.09604	1.6
115.03899	1.6
116.07045	1.3
117.07037	7.2
119.08583	30.2
121.06506	12.0
121.10152	38.6
121.11019	1.9
123.04407	3.0
123.08062	6.9
123.11713	17.1
125.05997	26.4
125.09638	6.2
125.13276	1.6
127.07519	1.6
129.06938	1.7
131.08575	12.6
133.10150	18.2
135.08067	11.7
135.11694	26.1
137.05942	2.0
137.09587	4.9
137.13239	8.2
139.07516	5.0
139.11128	3.8
141.63293	1.3
143.08537	3.3
145.06480	2.5
145.10144	22.5
147.08025	4.0
147.11685	10.8
149.09637	8.9
149.13278	12.3
151.07516	2.1
151.11206	6.4
151.14700	1.3
153.09111	10.6
153.12737	1.4
159.08011	2.1
159.11717	16.7
161.09573	3.4
161.13286	10.7
163.11182	10.2
163.14900	1.6
165.09090	2.5
167.10698	18.9
169.08832	1.5
169.10100	6.1
173.06050	1.6
173.09662	6.6
173.13232	4.9
175.14824	7.4
177.12772	7.8
177.16426	7.1
179.10672	1.8
181.12250	12.7
185.13301	2.2
187.11179	3.0
187.14841	13.1
191.10588	2.3
191.17950	10.4
193.15884	3.5
195.13763	4.5
201.12810	2.4
201.16377	21.6
203.14276	4.0
205.08569	2.3
205.15892	2.1
209.19005	18.1
211.14813	9.9
219.17453	16.9
221.15379	7.5
222.06665	2.7
229.15846	17.4
237.18498	30.4
247.13190	1.4
247.16933	19.3
250.06177	1.6
265.08517	8.2
265.17960	47.0
265.25290	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
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
53.03949	7.8
55.05512	12.5
55.20459	5.0
56.50976	4.1
57.07088	4.5
57.89227	4.1
59.91589	4.7
61.11745	5.2
65.03944	9.5
67.05505	30.0
69.03432	33.7
69.07056	6.2
70.99102	6.3
70.99445	6.9
71.04994	6.4
72.08154	17.4
79.05497	28.0
81.03473	4.4
81.07066	28.4
83.04974	13.4
85.02906	11.4
86.09716	5.7
91.05492	48.6
93.03394	9.3
93.07050	42.2
95.04969	56.7
95.08612	20.0
96.92686	4.2
97.02894	9.1
97.06512	10.0
99.04432	6.0
100.72795	4.4
103.05451	9.2
105.07030	73.0
107.04965	9.0
107.08588	21.0
109.02874	13.5
109.06517	28.5
109.10143	10.1
111.04472	39.4
111.08074	8.8
113.06016	18.2
113.65507	4.9
115.03931	4.5
115.05457	4.8
117.07030	18.2
119.08584	96.2
120.08105	6.8
121.02874	15.8
121.06516	47.7
121.10167	13.4
123.08028	23.8
126.56735	4.5
128.06219	5.4
129.06998	21.7
130.07759	9.7
131.08563	45.9
133.06488	11.4
133.10141	22.7
135.08057	79.4
135.09943	4.1
137.05972	6.9
137.09651	14.4
139.03886	9.6
139.07536	11.1
141.06995	13.9
142.07777	9.7
143.08580	16.9
144.05682	4.4
144.09370	9.9
145.06502	14.3
145.10126	45.7
146.07298	4.9
147.08043	44.5
147.11687	14.7
149.05911	5.0
149.09622	15.6
151.07603	6.8
153.09065	4.9
154.07831	5.2
155.08557	10.3
156.09344	6.4
157.10088	22.2
158.07246	28.7
158.11008	4.6
159.08095	48.5
159.11700	45.5
161.06023	5.9
161.09612	39.5
161.13254	7.3
165.09108	36.7
168.09322	6.2
171.08040	9.0
171.11757	5.8
172.08827	24.7
173.09627	22.8
173.13266	23.2
175.07568	74.7
175.11143	40.6
177.05548	9.4
177.09244	6.6
181.06520	7.1
183.11729	17.8
185.09633	10.5
186.10405	5.8
187.11208	48.7
189.09128	9.7
189.12773	18.7
193.08589	26.4
196.08784	6.0
199.11211	17.3
201.12711	39.1
203.10696	58.2
205.12402	7.8
211.11208	20.4
217.12219	35.0
217.39616	4.7
219.10214	4.7
219.13873	15.2
229.12170	30.3
235.13318	8.0
244.08620	5.1
247.10835	10.2
247.13188	75.8
265.11743	6.0
265.14310	100.0
270.13809	4.8
289.62338	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
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
53.03946	6.4
55.01867	7.2
55.05500	12.7
56.05016	4.5
59.22157	3.2
65.03949	5.4
67.05505	23.5
69.03439	29.8
69.07058	12.1
70.06584	3.9
71.04989	9.5
72.08148	8.4
76.31449	3.5
79.05504	17.4
81.03412	5.9
81.07050	16.9
83.04973	9.1
84.04505	6.0
85.02906	50.1
85.06540	6.6
86.03228	19.3
86.09711	3.6
86.87923	3.2
91.05482	47.0
93.03374	7.2
93.07054	42.6
95.04961	46.4
95.08602	24.0
97.02902	9.1
97.06505	13.1
99.04437	5.5
103.05453	10.6
105.07028	54.0
106.24690	3.1
107.04955	9.9
107.08606	23.2
109.02878	7.5
109.06532	21.6
109.10183	7.9
111.04450	27.3
111.08075	9.7
113.05994	13.8
115.05449	4.6
117.07055	16.7
118.06533	9.7
119.08585	60.1
120.08115	100.0
120.40736	3.3
121.02876	9.5
121.06496	38.0
121.10159	16.5
122.07172	8.6
123.04438	3.5
123.08078	19.0
125.05949	6.8
128.06232	6.4
129.06992	11.4
131.03465	3.8
131.04871	3.6
131.08569	35.3
133.06480	11.5
133.10129	16.7
134.09660	35.4
135.08076	64.4
135.09993	65.1
136.07605	11.1
137.05962	5.6
137.09631	12.0
139.03876	11.6
139.07547	8.4
141.07021	5.9
142.07719	8.3
143.08545	13.2
144.09329	7.7
145.06483	19.5
145.10155	27.6
146.07256	4.1
147.08075	29.8
147.11670	15.9
149.05954	6.6
149.09607	7.7
150.07735	5.9
152.05678	31.8
155.08521	9.1
156.09383	5.8
157.06361	5.0
157.10078	22.8
158.07240	17.8
159.08070	29.4
159.11691	27.3
159.66170	4.0
160.08870	3.9
161.06030	6.3
161.09610	39.1
162.11642	4.5
163.07486	6.5
163.11131	4.4
165.09093	26.4
167.07018	3.8
168.09344	5.8
169.10133	5.3
171.08075	7.9
171.11720	6.3
172.08815	16.2
173.06030	6.1
173.09633	18.3
173.13234	19.2
175.07567	63.2
175.11151	29.7
178.08655	7.2
181.04976	3.7
181.10207	4.2
183.11700	10.6
185.09589	7.7
186.10320	5.4
187.11205	35.5
189.09113	9.6
189.12769	15.3
193.08617	15.3
193.10149	4.4
196.08899	6.0
199.11143	11.2
201.12698	27.7
202.08397	4.2
203.10648	39.2
205.04991	6.5
205.12289	11.4
211.11148	17.8
217.12276	20.3
219.06554	5.3
219.11540	5.3
219.13501	6.3
229.12077	26.8
235.13332	5.5
239.19414	4.0
247.13155	55.0
248.15016	5.5
259.40582	3.4
265.12384	98.0
265.14859	40.9
266.12436	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	265.1184
Annotation	Phenylacetylglutamine
Peak:m/z	Relative Intensity
53.03928	0.8
55.05507	1.5
56.96562	0.6
59.01344	0.5
59.04988	1.2
60.04529	12.7
64.76165	0.6
65.03933	0.7
67.05495	2.3
69.03426	1.2
69.07064	0.7
69.32491	4.1
70.02961	3.8
70.06596	0.7
71.04986	0.8
79.05489	1.7
81.03426	3.2
81.07039	2.1
83.04972	0.9
85.02911	0.7
87.05598	6.5
88.03995	7.9
91.05483	33.6
93.07051	1.8
95.04970	1.6
95.08617	1.2
97.02861	0.8
102.05547	100.0
105.07024	2.5
107.04980	1.0
107.08595	1.3
109.02898	1.7
109.06525	1.1
109.10117	0.7
111.04480	0.5
111.08102	0.5
113.01714	0.5
113.02354	3.1
115.05473	0.7
117.07028	1.7
119.08597	2.1
121.02872	5.0
121.06517	0.8
121.10144	1.4
122.07201	0.8
123.08092	0.6
124.07597	2.5
128.06313	0.6
130.05006	2.4
131.04926	1.0
131.08572	1.7
133.06464	0.6
133.10167	0.9
135.08070	1.0
135.11685	0.9
137.05951	0.7
139.03931	0.6
145.06487	3.5
145.10132	1.7
146.05992	3.9
147.07635	8.6
149.09691	0.6
155.06035	0.6
157.10197	0.6
159.08093	0.9
159.11694	1.2
161.04378	0.5
161.09650	0.6
173.06026	2.8
173.09666	0.7
173.13159	0.6
175.07512	0.7
177.09100	0.6
187.07545	0.7
189.09154	0.9
190.06184	1.0
191.07056	1.0
191.10712	0.8
201.09132	1.1
201.12720	0.8
205.04964	0.7
205.08522	3.2
217.08662	1.8
217.13434	0.7
219.06987	0.6
219.09259	1.1
220.09705	22.3
229.12141	0.6
230.11880	1.1
233.09312	0.8
247.09669	1.2
247.14304	2.7
247.16927	1.2
248.06784	0.4
248.09190	12.5
265.06998	1.0
265.09644	6.5
265.14890	1.5
265.18112	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1071
Annotation	Scytalol D
Peak:m/z	Relative Intensity
50.45859	2.0
53.03957	2.9
55.01885	11.5
55.05510	4.7
65.03938	3.3
67.05501	17.6
69.03437	20.5
69.07062	4.3
69.28285	2.0
69.43217	16.1
72.08167	2.4
75.54105	2.1
79.05499	14.1
81.03417	13.6
81.07066	15.0
83.04977	3.9
83.12085	1.9
85.02869	2.8
85.06570	2.2
87.04501	3.8
91.05479	31.2
93.03352	2.5
93.07063	14.7
95.01340	11.4
95.04969	46.4
95.08614	15.8
97.02906	5.6
97.06548	3.2
99.04420	3.9
103.05443	3.8
105.07043	44.8
107.04955	3.5
107.08601	15.0
107.72180	2.5
109.02872	2.4
109.06528	7.9
109.10136	3.9
111.04433	5.3
115.03943	2.5
115.05472	10.5
116.06207	3.9
117.07026	17.6
119.04951	4.7
119.08591	18.3
121.06522	5.5
121.10159	7.5
122.07099	2.9
123.08081	6.1
125.09642	5.2
128.06259	7.6
129.07005	21.5
130.07782	10.9
131.04933	4.9
131.08578	33.5
133.06497	8.3
133.10146	15.1
135.04446	3.6
135.08032	3.8
135.11693	6.5
137.06021	4.0
137.09613	3.0
141.07048	4.9
142.07785	17.8
143.08563	17.3
144.05734	4.6
145.06502	10.2
145.10123	46.2
147.08046	11.4
147.11691	6.0
149.09608	6.5
149.13226	2.5
151.07542	17.3
152.06131	4.2
153.05496	7.4
153.07025	6.9
155.08592	23.7
156.09338	2.5
157.06509	6.5
157.10164	14.2
158.07277	8.4
159.08066	34.9
159.11679	4.4
161.05992	7.7
161.09601	11.5
163.11128	3.8
165.06981	2.9
167.08592	3.1
170.07414	2.9
171.08058	9.2
172.08960	2.3
173.05917	4.6
173.09633	75.5
173.13173	2.1
175.11157	11.2
177.09125	12.1
179.07043	5.9
183.08086	16.9
185.05975	19.1
185.09604	10.0
187.07558	7.7
187.14792	2.3
189.09122	7.5
191.07106	2.1
191.10645	11.8
201.09116	60.4
201.12817	2.4
203.07027	12.3
203.10593	3.0
205.08653	3.4
211.07538	5.1
217.08557	4.6
219.10185	56.3
221.11717	2.8
229.08614	47.3
237.11145	6.1
247.09685	100.0
247.13513	5.9
247.16870	2.8
265.10751	69.3
265.14359	5.0
265.18063	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	265.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.9
55.05500	4.8
59.98955	1.4
60.04513	4.1
67.05513	8.3
69.03418	2.7
69.07054	6.3
79.05484	6.4
81.03427	4.8
81.07075	10.0
83.04983	2.4
85.02901	2.3
89.79506	1.9
91.05489	9.9
93.07042	7.3
95.04985	8.3
95.08595	8.5
97.06517	3.2
102.05561	21.0
103.05450	4.9
105.03351	2.1
105.07012	6.9
107.04968	1.8
107.08620	8.8
109.02879	2.7
109.10142	4.3
113.02361	6.5
115.05465	19.5
117.07030	45.0
119.08585	7.4
121.06512	2.4
121.10114	4.2
123.08103	2.5
127.05368	1.7
128.06219	4.1
129.06998	5.0
129.78778	1.8
131.04903	2.1
131.08577	4.8
132.04425	2.8
133.10104	4.1
135.08025	3.4
135.11719	3.4
142.47134	1.6
142.80382	1.6
143.04788	1.8
143.08548	2.8
144.06534	5.9
144.14813	1.6
145.06499	77.9
145.07648	4.1
145.10144	5.0
146.06004	14.0
147.08090	4.0
147.11670	1.9
149.09645	2.1
155.04945	2.9
155.06056	17.9
156.05702	15.9
157.06540	3.9
157.10045	1.6
159.08110	3.7
159.11682	2.8
160.05154	5.1
161.05923	5.7
161.09598	1.9
163.07626	2.0
167.07062	5.0
172.06064	2.1
173.05992	100.0
174.05493	6.0
175.07480	4.4
177.09120	1.9
181.08646	2.2
187.07561	4.5
187.11118	2.5
187.14807	2.0
189.09172	4.0
190.06256	39.1
201.16431	2.3
202.06204	4.1
203.07071	14.1
205.08618	83.2
217.08623	56.1
219.10124	3.1
219.13905	2.1
235.09572	8.2
247.09683	4.4
247.13353	4.9
247.16888	3.6
247.20537	2.9
250.06206	2.0
265.08524	4.9
265.10953	3.3
265.14432	3.1
265.21823	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	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03932	1.8
53.05994	1.0
55.01872	1.2
55.05510	16.6
57.03423	1.7
57.07080	12.2
65.03926	2.7
67.05504	87.0
67.82841	1.1
69.07069	17.3
71.04977	1.2
71.08626	9.3
71.11816	1.1
79.05492	19.3
81.07056	100.0
83.04977	2.3
83.08614	14.8
85.06534	4.5
85.10173	2.2
91.05482	16.6
93.07041	24.9
95.04936	1.2
95.08606	85.4
97.06528	7.7
97.10168	8.7
99.08086	5.8
105.07025	12.6
107.08589	16.0
109.06536	1.1
109.10157	47.0
111.08077	5.4
111.17889	1.0
113.09616	3.2
119.08571	12.4
121.10139	15.1
123.08037	3.0
123.11702	23.0
125.09659	1.7
127.11170	2.3
133.10129	15.2
135.11694	9.2
137.13260	9.4
141.12726	2.3
147.11668	11.1
149.13268	8.5
151.11182	2.2
151.14842	9.0
153.12669	1.2
153.87918	1.0
155.14334	2.2
161.13255	11.2
161.66180	1.0
163.14816	8.0
165.16429	11.0
175.14781	9.8
177.16435	2.1
179.17900	3.2
181.15974	1.2
189.16345	5.2
203.17981	1.4
217.19453	2.9
245.22646	40.8
263.23703	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
55.01864	4.9
55.05517	51.0
57.03442	37.1
59.04994	5.9
61.02930	8.3
67.05516	2.0
69.03436	42.3
70.06590	2.1
70.24426	1.5
70.59184	4.8
70.64215	1.4
71.04972	5.2
72.08163	1.8
73.02919	2.2
73.06171	2.1
73.06562	30.3
79.05495	2.5
81.02981	2.0
81.03427	22.7
81.07070	2.3
83.04986	18.9
85.02913	84.4
87.04465	2.1
87.68411	1.3
91.03948	3.4
91.05469	3.8
93.07034	1.6
95.04953	2.3
97.02293	2.3
97.02903	42.5
99.04468	9.6
101.06026	100.0
103.03925	3.1
105.03425	2.5
105.07017	4.0
107.04964	7.8
109.02879	20.5
115.03941	3.2
116.07089	3.2
119.07071	4.3
120.08129	2.7
123.04361	1.5
127.03930	71.9
133.02855	2.2
133.06476	5.0
135.08035	3.1
136.07709	1.5
142.03383	1.6
145.04974	43.9
149.13310	1.6
154.03374	1.6
157.07642	1.9
161.05989	5.8
161.09482	1.6
163.05997	3.2
163.11197	1.3
171.04343	1.8
175.08771	2.8
189.05460	8.8
191.05238	2.7
191.10640	1.7
199.03964	3.1
201.07579	5.1
215.99200	1.3
217.04950	4.8
217.08507	2.9
245.10231	4.5
247.03896	2.5
254.06978	3.7
263.07242	19.0
263.11407	3.2
263.14032	3.3
263.16608	3.0
263.57642	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.01878	4.5
55.05515	54.5
56.92742	1.2
56.96561	1.8
57.03444	35.5
59.05003	9.3
61.02928	8.0
69.03078	3.0
69.03434	46.6
70.85526	4.1
71.05000	5.6
73.02917	6.0
73.06563	31.3
81.03427	24.7
81.07069	2.5
83.01450	1.6
83.04990	20.6
85.02912	90.0
87.04473	3.6
91.03941	3.3
91.05476	2.3
94.55948	1.3
95.08627	2.0
97.02903	44.7
98.97610	2.0
99.04474	13.3
101.02390	2.4
101.06027	100.0
103.03945	3.1
105.07098	2.4
107.05001	6.0
109.02898	16.3
110.97614	1.5
115.03967	2.8
115.05505	1.6
119.07071	5.0
120.08056	2.1
127.03928	73.0
133.06494	3.7
145.04970	48.0
145.10175	1.8
161.05984	3.5
163.06053	2.1
182.04781	1.7
189.05487	5.4
201.07643	4.3
217.04987	2.8
245.10188	4.9
247.03922	2.2
254.06799	2.9
263.07275	22.5
263.11313	3.0
263.16415	2.3
263.57455	2.0
265.04959	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01859	1.2
55.05513	23.3
57.03437	4.7
59.05002	23.0
61.02926	4.6
69.03436	24.7
69.07050	1.0
69.33620	3.6
69.34047	6.1
70.06593	26.7
71.04989	4.3
73.02927	1.4
73.06564	1.9
81.03423	10.6
83.01401	1.1
83.04984	17.9
85.02907	31.5
91.05485	2.1
93.07036	2.1
94.06565	2.2
95.08590	1.9
97.02897	33.2
99.04470	7.5
101.06015	16.6
103.04013	1.2
103.05461	6.1
105.07057	1.7
107.04995	0.9
107.08590	1.3
109.02882	9.8
114.54882	1.1
116.07098	76.7
116.98248	1.1
119.07073	1.7
120.08113	100.0
123.04475	1.8
127.03928	23.2
130.06532	30.3
132.04463	10.5
137.05956	1.2
145.04971	23.5
157.07620	68.4
158.06021	27.7
158.07307	1.2
161.06024	1.8
171.63199	1.1
175.08688	40.5
187.06052	2.8
187.07526	1.1
189.05385	1.5
191.48788	1.0
199.08797	1.6
203.08272	13.6
205.07074	1.6
217.09984	6.4
221.09235	16.3
224.49216	1.1
227.09180	3.8
227.12720	1.4
245.09401	7.0
263.10236	4.6
263.13904	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1028
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
54.18526	0.4
55.05497	1.0
59.04992	0.5
69.03439	0.5
70.06585	2.1
70.93634	0.4
70.99323	1.1
81.07061	0.5
82.02938	0.7
83.04960	0.4
85.02901	0.9
91.05500	0.6
93.07046	0.4
94.06543	2.0
94.38895	0.5
97.02897	1.0
101.06005	0.7
116.07104	5.2
120.08110	7.3
124.06400	0.4
127.88411	0.5
130.06534	38.5
132.04454	14.3
143.04877	0.5
145.04980	1.1
152.07033	0.8
153.46968	0.5
157.07623	100.0
158.06021	42.4
168.05174	0.5
175.08682	58.2
186.05435	0.8
199.08713	2.3
203.08185	20.8
204.06566	1.1
217.09761	10.8
221.09227	23.4
244.64061	0.5
245.09244	13.3
263.10284	7.7
263.13925	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	263.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73089	0.8
70.36713	2.2
70.99859	1.6
77.00910	1.4
82.99844	3.8
89.00897	2.4
95.04545	0.8
96.98502	0.8
98.77454	0.8
101.00888	31.1
109.02849	0.9
113.00902	2.3
119.01929	24.1
127.02425	2.4
131.01929	4.4
137.02934	1.5
139.02422	3.2
143.01907	53.7
145.03448	4.8
157.03484	12.3
159.01378	1.6
161.02969	87.1
165.98657	0.8
167.01897	1.5
173.02988	4.0
175.04483	1.5
179.04007	1.2
184.04614	1.9
185.02974	5.2
191.04063	1.7
203.04015	42.8
221.05084	11.3
237.24638	0.8
239.06133	5.3
245.05136	1.4
262.93127	1.3
263.06137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	6.6
57.03431	1.6
57.84212	0.7
61.02916	2.4
61.85994	0.7
69.03445	3.8
70.09560	3.1
70.98127	1.2
71.04995	0.7
73.02921	2.3
73.06555	0.7
81.03418	1.0
82.99834	5.2
83.04964	0.6
84.04492	0.7
84.08150	0.9
85.02899	7.0
86.99325	0.9
87.04495	0.9
88.06390	0.7
90.01581	0.8
94.99894	0.8
97.02906	3.9
97.06553	0.8
98.97583	14.1
100.07615	0.6
101.00886	32.6
109.02913	1.5
110.97576	1.9
111.02930	0.8
112.99139	1.4
113.00873	11.7
115.02472	1.2
116.98610	3.5
119.01929	28.7
125.05997	2.2
125.07394	0.7
127.02424	1.6
127.03909	2.0
128.98668	0.8
131.01921	19.2
133.03488	0.8
134.08092	1.2
137.02957	0.8
138.03484	0.8
139.02454	1.1
142.05486	0.8
143.01903	74.8
144.03517	0.8
145.03432	3.8
145.04900	0.8
149.02988	1.2
151.06023	1.3
153.03961	1.4
154.03891	0.7
155.01904	16.3
157.03531	3.5
158.99631	2.1
159.54681	0.6
160.06616	0.7
161.02966	100.0
162.04407	1.0
164.04971	1.4
167.01874	3.5
170.95955	1.7
170.99593	0.9
171.05020	1.0
173.01413	1.4
173.02975	38.9
173.05437	1.7
174.04565	2.1
174.99173	1.2
175.04547	1.0
175.88818	0.6
177.00647	0.8
179.04001	1.3
182.03383	1.1
182.06105	0.8
183.05096	3.6
184.04645	2.2
184.97627	1.0
185.01381	1.2
185.02928	8.1
187.04553	1.0
188.97081	1.5
189.00603	0.8
191.02473	1.1
191.04008	22.1
196.04774	0.6
197.02982	2.4
202.98630	1.6
203.02258	2.0
203.03999	29.8
206.98077	0.9
215.04022	1.6
219.01801	1.2
220.99756	1.6
221.03505	0.8
221.05164	6.1
230.50441	0.6
230.98064	1.4
233.05141	3.0
239.06198	1.3
245.05042	4.4
245.18858	0.6
254.08328	0.9
257.05118	0.9
263.06155	40.7
284.54303	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80383	5.6
59.20571	7.5
70.53607	22.4
82.78645	6.6
101.00879	28.2
103.40474	5.6
113.00813	11.6
119.01931	17.3
131.01909	11.8
142.73773	6.0
143.01895	75.4
155.01881	27.3
161.02956	81.2
173.02982	43.7
185.02921	7.2
191.04027	15.2
203.04060	24.7
242.25459	6.1
263.01721	100.0
263.05688	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2167
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
51.52663	1.5
58.06587	5.9
60.04512	3.3
65.03934	1.8
67.05489	4.4
68.97021	1.8
69.07050	4.8
69.37802	8.1
69.38217	4.1
69.40037	1.6
70.06600	3.0
70.07439	1.8
74.50931	1.4
77.98908	1.3
79.05482	3.8
81.07049	6.4
83.08562	1.7
84.08150	3.4
91.05471	5.1
93.07037	6.3
95.08611	8.9
105.07044	11.9
107.08604	8.5
109.10133	8.2
110.09686	11.0
119.08585	7.9
121.10137	6.0
133.10162	7.6
147.11722	13.9
149.02345	3.9
150.02690	5.1
155.94701	1.6
161.13228	4.9
203.17961	17.6
220.20543	2.3
221.19023	4.0
244.20694	4.5
246.11098	2.0
262.14429	15.3
262.21661	100.0
283.47067	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2166
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
55.05501	2.8
57.07063	2.6
58.06607	10.5
60.04534	8.4
63.84985	1.3
66.33525	1.3
67.05510	3.4
69.07063	5.0
70.06587	1.7
71.15200	1.7
71.15540	2.7
81.07064	16.0
88.12688	1.6
91.05476	4.6
93.07050	5.0
95.08605	17.1
95.52344	1.4
100.07603	4.8
105.07033	25.6
107.08578	6.3
109.10165	13.3
110.27038	1.7
119.08589	17.6
121.10142	7.9
122.09666	1.9
123.11723	3.6
133.10130	15.9
135.11691	2.5
147.11694	23.1
159.11707	1.8
160.12489	2.4
161.13251	8.9
175.14807	5.0
203.17969	71.7
212.78629	1.7
262.18146	8.3
262.21658	100.0
270.82797	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1803
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
57.07071	0.9
59.55450	0.3
65.10714	0.3
69.03436	0.4
69.91310	0.7
69.91702	0.5
70.06596	2.1
71.08631	0.9
87.04470	28.6
88.07631	2.6
103.39077	0.3
106.08649	0.3
114.09179	1.0
118.05699	0.4
118.06548	8.0
118.08668	0.4
119.07358	0.4
132.08109	2.8
132.09091	0.3
132.09288	0.3
132.10222	3.6
133.08875	1.7
134.09639	0.7
144.59108	0.2
146.09657	2.3
146.76474	0.3
147.10414	0.3
149.02374	0.3
150.11256	3.1
167.20976	0.3
176.14349	63.9
179.69867	0.3
189.02907	0.3
211.81114	0.3
218.11922	0.3
218.21194	1.1
219.12561	0.3
262.18021	100.0
262.23758	20.7
263.18332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91883	0.4
51.46494	0.4
53.03920	0.4
55.01870	0.8
55.05511	1.0
56.96570	3.8
57.03436	2.3
58.06602	1.1
59.05000	8.3
59.07393	0.6
60.07875	0.7
60.08167	9.3
60.08470	0.7
61.02917	1.1
63.49398	0.4
67.05509	0.4
69.03433	2.2
69.07059	0.9
70.06595	0.8
70.34521	0.6
70.34878	1.2
73.02914	1.7
79.05497	1.6
81.03420	1.3
81.07077	0.9
82.06586	1.7
83.05010	0.5
84.04494	0.8
84.08144	0.6
85.02907	100.0
87.10053	0.4
95.04973	1.2
97.02906	3.8
97.06543	1.3
98.20806	0.4
98.97578	8.9
99.04432	0.6
100.07606	3.6
101.00893	2.2
103.03971	0.7
109.02888	1.3
110.01269	0.7
110.97583	1.6
111.04447	4.1
111.16588	0.4
113.00877	0.5
114.05495	0.4
114.33495	0.4
116.98634	1.5
119.01878	2.3
125.05970	0.8
126.09142	0.4
127.02485	0.4
127.03900	1.3
128.02335	0.4
128.98601	0.7
131.00174	0.7
131.01918	0.6
140.10707	9.9
140.98634	0.5
141.05499	0.9
143.00227	0.9
143.01883	3.8
144.10193	2.8
145.04970	11.8
146.99672	0.6
148.05937	0.5
149.02364	0.6
152.02303	0.5
154.08673	0.9
155.01904	1.2
158.99654	2.2
159.04956	1.7
159.06477	0.8
161.02898	3.3
168.05519	1.4
173.02928	2.1
174.04536	1.0
177.00751	1.2
181.04430	1.6
182.03426	1.1
182.06126	0.5
183.04971	0.5
185.03052	0.7
185.08008	2.1
186.11255	6.8
187.02910	0.9
190.04953	4.8
191.03938	1.7
199.05466	0.7
201.00810	0.8
203.04103	1.7
204.12393	1.0
205.03886	0.4
218.10255	0.6
219.01794	1.5
237.02895	0.8
240.07439	2.0
244.04913	2.6
245.05070	0.9
253.06467	1.1
262.07138	10.7
262.16519	61.4
262.57153	1.2
263.06122	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.01596	0.3
51.02376	0.4
53.03950	1.4
55.01880	0.4
55.05262	0.6
55.05513	7.9
57.03444	0.9
57.07077	2.8
65.03938	1.6
67.05507	26.1
69.07072	7.2
71.04981	1.4
71.08646	1.0
72.72343	0.3
77.03904	0.8
79.05496	36.5
81.07059	32.6
83.04989	0.9
83.08620	4.6
85.06541	2.4
91.05485	17.3
93.07046	50.3
93.23831	0.3
95.04964	1.8
95.08611	25.2
97.06543	2.7
97.10171	1.6
98.20770	0.7
99.08092	2.4
105.04505	0.8
105.07034	11.7
107.08598	31.1
109.06532	1.2
109.10159	10.2
111.08095	2.5
111.11732	0.6
113.09648	0.9
117.07020	4.5
119.06060	0.5
119.08589	11.6
121.02869	0.4
121.10146	29.9
123.08060	1.0
123.11703	3.3
125.09615	0.6
131.08568	10.2
133.10130	8.9
135.11697	24.2
137.09608	1.6
137.13275	1.1
139.11159	0.6
145.10121	10.8
147.10522	0.4
147.11693	8.1
149.02370	4.0
149.03470	0.8
149.13260	21.8
151.11177	0.7
151.14828	0.5
153.12776	0.5
157.10121	0.5
159.11694	8.2
161.13260	7.4
163.11153	0.4
163.14830	15.3
165.12782	0.9
167.14354	0.4
171.11774	0.5
173.13261	7.6
175.14825	3.2
177.12808	0.5
177.16400	4.3
179.14310	1.0
183.11565	0.4
185.13269	0.3
187.14865	5.6
189.16446	0.8
201.16400	2.1
205.15804	0.5
215.17966	1.4
217.19527	0.3
219.17397	0.6
233.22659	1.1
243.21098	25.7
246.10478	0.4
261.22147	100.0
262.22632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.87831	0.4
53.03939	1.9
55.01875	0.8
55.05267	0.6
55.05515	8.7
55.33783	0.5
57.03428	1.3
57.07078	3.6
65.03938	2.6
66.92788	0.4
67.05511	32.7
69.03430	0.7
69.06724	0.7
69.07072	9.4
69.10262	0.4
71.05000	2.7
71.08617	1.5
71.55077	0.6
77.03947	0.5
78.81239	0.4
79.05500	38.6
81.07064	34.4
83.04961	1.0
83.08619	5.7
85.06545	3.0
91.05486	19.0
93.07051	52.5
95.04984	2.4
95.08614	27.4
97.06537	3.1
97.10173	2.2
99.04479	0.5
99.08090	2.4
105.04500	0.8
105.07040	13.5
105.07754	0.7
107.08602	35.5
109.06519	1.4
109.09466	0.8
109.10166	10.9
111.08089	2.0
111.11695	0.7
113.09644	1.1
117.07030	5.0
119.08591	12.4
121.02798	0.5
121.06542	0.5
121.10154	32.8
123.08104	1.4
123.11732	4.3
125.09654	1.1
128.06175	0.4
129.07057	0.7
131.08583	9.7
133.10149	11.1
133.28146	0.5
135.08066	0.7
135.11700	27.0
135.57668	0.4
137.09668	1.0
137.13240	1.1
145.09038	1.0
145.10124	12.6
147.11699	9.7
149.02374	9.5
149.03459	1.1
149.09627	0.9
149.13268	22.2
151.11206	0.8
151.14816	0.7
153.12718	0.6
159.11717	8.8
161.13277	8.8
163.14835	15.6
165.12781	1.5
173.13268	8.4
175.14856	4.0
177.16399	5.4
179.14322	1.3
185.13213	0.6
187.14850	5.2
189.16304	0.6
197.81404	0.4
201.16393	2.5
203.17821	0.6
205.15919	0.9
215.17877	1.4
217.19478	0.8
219.17403	0.8
233.22629	0.8
243.21100	26.7
261.15063	3.1
261.22153	100.0
262.22525	0.5
283.77628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03953	2.3
55.01844	0.5
55.05271	0.5
55.05512	7.8
57.03424	1.2
57.07063	2.2
65.03939	3.5
67.05507	25.9
69.06718	0.7
69.07071	8.6
69.27108	0.9
69.27511	3.7
71.04977	1.4
71.08609	0.8
77.03921	1.1
79.05496	34.4
81.03406	0.6
81.07059	32.7
83.04984	0.5
83.08623	4.5
85.06573	2.3
91.05486	17.0
93.07047	47.6
95.04959	2.3
95.08612	24.4
95.09110	0.4
95.09234	0.7
97.06541	2.4
97.10162	1.8
98.21449	0.9
99.08109	2.3
105.04526	0.8
105.06389	0.9
105.07040	12.6
107.08599	32.9
109.06548	1.3
109.10157	10.0
111.08103	2.5
113.09669	0.6
117.07034	4.1
119.07781	0.8
119.08578	10.1
121.02837	0.6
121.10149	30.0
123.08099	0.9
123.11728	3.1
125.09670	0.8
127.11186	0.5
131.08574	9.6
133.09232	0.8
133.10136	9.2
135.08113	0.5
135.11700	25.8
137.09602	1.3
137.13266	0.8
139.03957	0.7
145.09058	0.7
145.10132	9.7
147.11690	8.4
147.51222	0.7
149.02374	14.1
149.03482	2.2
149.09639	0.5
149.13268	20.2
151.11177	0.6
151.14854	0.7
153.12715	0.7
159.11696	7.1
161.13264	8.4
163.14832	14.6
165.12889	0.9
171.11621	0.8
173.13295	7.4
175.14821	3.2
177.16400	3.9
179.14375	1.4
187.11125	0.7
187.14809	6.0
187.27412	0.5
193.15982	0.5
201.16391	1.6
205.03323	0.5
205.15935	0.6
215.17987	1.2
217.19490	0.5
219.17494	0.5
233.22673	1.0
243.21086	24.9
261.14871	3.9
261.22141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03948	1.5
55.01885	0.7
55.05514	9.1
56.80529	0.3
57.03434	0.8
57.07080	2.8
65.03941	1.4
67.05508	28.3
69.06722	0.6
69.07074	8.9
71.04990	1.3
71.08629	1.1
71.55503	0.6
77.03951	0.7
79.05496	39.1
81.07060	34.1
83.04990	1.3
83.08614	5.1
85.06540	3.0
91.05486	18.9
93.07048	53.4
95.04959	2.1
95.08611	25.6
97.06538	2.5
97.10175	1.9
99.08089	2.5
103.05493	0.4
105.04526	1.0
105.07037	12.8
107.08600	34.1
109.06539	1.3
109.10162	12.0
111.08066	2.7
111.11723	1.0
113.09645	1.2
117.07022	5.0
119.08588	12.2
121.10149	33.8
123.08078	1.5
123.11706	3.7
125.09636	1.0
127.11103	0.4
129.07002	0.5
130.57323	0.4
131.08571	11.7
133.10139	10.0
135.11699	26.9
137.09612	0.8
137.13269	1.3
139.11232	0.7
139.23909	0.3
145.09039	0.8
145.10129	11.5
147.11697	8.7
149.02365	4.6
149.03447	0.9
149.09662	0.8
149.13263	22.1
151.11201	0.7
151.14767	0.5
153.12755	0.7
153.43886	0.4
159.11697	8.6
161.13268	10.1
163.11168	0.6
163.14827	16.2
165.12790	0.9
171.11723	0.5
173.13268	8.9
175.14841	4.0
177.16388	5.1
179.14354	1.0
187.14816	5.8
189.16310	0.7
201.12691	0.5
201.16377	2.5
205.15915	0.5
215.18005	1.7
219.17436	0.5
233.22566	1.1
243.21101	26.8
246.10487	0.5
246.14052	0.5
261.12570	1.3
261.22153	100.0
262.22269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44645	0.1
55.48658	0.1
56.96572	1.5
65.03927	0.2
69.87971	0.7
71.95258	0.3
82.99414	0.2
82.99863	0.6
84.96041	0.2
98.97592	13.7
99.97928	0.3
100.97189	0.6
100.97956	0.2
101.00890	4.1
102.96883	0.9
110.97578	0.4
112.99119	0.4
116.98631	4.3
117.98978	0.2
118.98261	0.3
119.01931	4.6
120.02006	0.2
120.97890	0.4
122.97795	0.2
128.98578	0.2
133.03387	0.1
134.99725	0.9
137.02940	0.3
140.98793	1.2
143.00119	0.2
149.02370	1.2
152.98599	0.1
158.99849	3.5
161.02927	0.2
165.99632	0.2
173.01257	0.3
175.03081	0.2
176.93703	0.1
177.00960	10.0
182.99821	1.3
189.00687	0.3
199.02992	0.1
201.00923	3.8
209.98398	0.1
217.04095	2.2
219.02020	16.3
220.02272	0.2
221.02391	0.2
225.00859	2.6
227.99664	0.2
234.00671	0.3
237.02855	0.4
237.98737	0.9
243.02013	15.0
260.99902	4.9
261.03073	100.0
262.03229	1.3
263.03439	0.5
266.03610	0.3
275.04675	0.1
278.96899	0.8
279.00620	5.1
284.04660	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1606
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
53.03941	2.1
53.15625	0.7
54.26656	0.8
55.01876	0.9
55.05516	1.1
56.05035	6.3
56.96561	3.7
57.03429	2.2
58.59483	0.7
60.04522	1.1
61.02918	1.0
65.03938	0.7
67.05494	1.6
68.05029	0.8
69.03432	2.4
69.07072	2.4
70.06595	5.1
70.22009	3.0
70.98089	0.9
71.04996	1.4
72.08153	6.3
74.02451	1.8
75.05590	1.7
78.29545	0.7
79.05489	1.6
80.14337	0.7
81.03420	1.9
81.07059	1.9
82.06571	3.5
83.06104	42.1
83.08623	1.0
84.04507	60.5
84.08147	20.0
85.02906	4.2
85.06534	2.7
85.92251	0.7
86.06066	0.8
86.09707	100.0
88.03983	1.0
93.07034	0.9
95.01303	1.2
95.04946	1.7
95.08556	0.8
96.04481	1.0
97.02912	1.9
97.06540	1.6
98.06072	1.0
98.21147	2.1
98.97589	6.2
99.04438	2.2
100.07611	6.8
101.07149	6.3
102.05544	2.1
109.02891	8.7
110.97569	2.1
112.07607	1.0
113.06038	4.9
113.07139	1.6
114.05523	2.4
116.07094	2.7
116.98615	3.6
120.04493	2.0
127.03899	3.1
128.07050	1.6
128.98598	1.5
129.06573	3.7
129.10251	5.2
130.05009	2.7
130.06526	4.9
130.08635	6.3
132.04434	1.3
132.10210	23.4
141.06624	6.0
142.05063	1.0
143.11809	10.1
144.06554	2.3
146.08102	4.4
147.07672	1.0
147.11302	4.6
148.06032	1.5
149.02432	1.1
156.06578	2.2
157.07617	2.6
157.13359	16.2
158.06000	2.9
158.99663	2.5
159.09297	0.9
161.09230	1.5
163.03905	0.8
165.09163	1.0
171.04446	0.9
171.11330	4.6
173.07190	1.2
175.06224	1.0
177.00720	1.5
185.12868	7.6
186.06355	1.5
188.05177	2.1
189.12357	2.6
196.09674	1.5
196.14525	4.8
197.05757	1.8
197.12849	22.5
198.11328	1.4
204.13802	1.5
213.05568	6.0
214.05807	62.6
214.10577	1.7
215.03429	2.0
219.01819	1.7
224.09186	7.7
225.12318	2.8
231.05353	2.3
232.06975	1.1
232.10719	1.2
232.65681	1.0
237.02840	2.3
242.04892	1.2
242.08121	1.5
242.10214	3.6
242.15002	55.0
243.13414	35.1
243.17085	1.3
260.02197	1.3
260.06393	13.3
260.10599	5.3
260.16068	5.1
260.19666	7.3
278.11249	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.25434	1.6
54.52039	2.0
55.05516	9.7
63.04101	1.8
67.05503	11.0
69.07072	28.0
70.80416	3.5
70.80733	2.5
71.04993	26.2
74.22919	2.1
79.05487	6.9
81.07060	17.7
83.04990	5.5
83.08614	8.2
85.06548	21.0
91.05487	9.9
93.07064	13.9
95.04968	2.8
95.08610	16.5
97.06541	5.7
99.08047	2.2
105.07047	24.5
107.08593	15.9
109.06522	11.5
109.10165	17.2
111.08090	19.2
117.07015	8.9
119.08591	59.8
121.10165	15.2
123.11716	21.7
131.08569	13.6
133.10130	36.0
135.08051	20.4
135.11661	4.0
137.09555	4.9
143.08568	7.8
144.09363	2.7
145.10129	26.7
147.11684	17.1
149.09630	3.5
149.13268	2.5
157.08975	2.1
157.10143	11.3
159.11702	25.6
160.12445	2.7
161.13257	35.3
163.11163	3.7
171.11728	14.7
173.13251	7.8
175.14830	100.0
176.15565	6.7
177.12785	3.5
177.16412	4.5
185.13217	14.4
187.14798	1.9
189.12822	5.4
189.16475	8.9
199.14856	4.1
201.16418	28.0
203.14351	7.8
215.17924	7.5
241.19536	17.9
259.20581	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	258.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67453	0.1
54.98647	0.1
56.96569	6.9
62.85489	0.1
65.92422	0.1
68.33350	0.1
70.57106	0.5
71.95272	1.9
83.96529	0.2
98.97591	100.0
100.97188	0.3
100.97991	0.3
116.98630	35.8
118.98270	0.2
118.99079	0.2
119.01899	0.3
134.99667	7.0
140.00172	1.0
153.00743	0.3
158.01262	0.3
174.97697	0.2
181.97401	0.3
184.20168	0.1
198.97643	0.2
199.00745	0.2
216.98671	0.7
219.01985	0.4
234.99817	0.6
240.98640	3.6
258.99783	49.8
259.99966	0.4
277.00830	46.4
278.01123	0.4
279.01111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.01873	10.6
55.05516	11.7
56.05047	8.2
57.09865	1.5
58.99588	10.0
59.38838	1.4
61.01157	3.6
63.76274	1.4
67.05505	5.1
68.05035	2.8
69.03425	2.6
69.07079	6.4
70.19392	4.1
71.54701	1.2
74.00665	2.5
76.02239	2.9
76.04008	3.1
79.05499	50.0
80.05014	4.3
81.03427	3.1
81.05805	1.4
81.07066	31.5
82.06593	10.3
83.08609	2.4
84.04507	10.7
84.08146	1.4
85.01135	88.8
85.04046	6.3
85.06594	1.3
86.00657	27.7
86.99068	6.6
88.02233	2.9
88.04010	1.3
91.05486	3.2
92.01708	2.3
93.07062	7.9
94.06597	7.2
95.04951	3.0
95.07325	1.9
95.08627	8.2
96.08144	13.1
97.01118	2.8
97.06544	22.1
97.08932	11.2
98.09706	34.1
99.02717	1.4
100.02225	3.0
102.05541	1.2
105.07043	8.1
107.04964	1.7
107.07364	2.6
107.08604	4.3
108.08136	5.4
109.08916	3.9
110.09682	12.9
111.02715	1.7
112.03979	12.0
113.04238	100.0
116.01699	16.9
117.03341	1.7
119.08618	2.3
121.10171	2.5
122.09683	11.8
123.10440	3.8
128.06317	1.5
130.04037	2.4
130.05013	45.0
131.04555	3.4
131.08673	1.6
133.02783	1.1
133.10138	2.2
134.03769	1.2
135.04407	1.9
139.05786	8.3
141.06956	1.7
142.07767	1.7
143.02760	3.0
143.08611	2.6
144.01176	4.8
145.02939	2.1
145.10094	2.5
149.13347	2.2
156.08456	69.2
156.10226	34.4
157.10170	2.5
159.04340	1.5
159.11720	2.7
161.02377	2.9
162.02193	5.5
163.03908	10.7
171.11774	1.5
173.02396	4.7
177.03316	13.6
185.09657	5.2
185.13313	2.3
186.10449	2.3
189.03322	9.9
196.07813	1.4
198.10341	1.5
213.05524	2.5
213.12762	2.9
215.07054	8.9
231.13753	2.3
234.43719	1.5
241.12215	1.8
242.08528	22.7
259.11191	94.1
259.20822	2.7
259.24301	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	258.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26175	0.6
55.01873	3.4
55.05517	33.0
57.39132	0.6
60.04531	7.2
62.06089	2.1
67.05494	1.1
69.07073	21.0
69.29615	5.3
70.02960	5.6
70.06643	0.7
79.05504	0.7
81.07060	0.7
83.04990	1.0
83.08626	100.0
85.02912	0.6
85.09579	0.6
88.03998	44.5
93.07044	1.1
94.19083	0.5
95.08607	0.7
96.08192	0.7
98.97607	1.0
102.05551	79.4
105.07033	1.2
107.08619	1.5
109.10177	0.9
111.08081	5.3
113.02402	0.8
119.08595	0.6
130.04996	2.7
132.38301	0.5
134.69054	0.6
138.09174	0.6
144.89468	0.5
148.06058	99.4
149.13260	0.8
163.03903	0.6
179.14372	0.7
180.10219	13.9
198.11285	4.2
212.12843	10.2
226.10710	1.2
240.12329	3.1
240.19522	1.2
258.13391	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
53.63337	0.7
55.01871	2.9
55.05513	62.9
57.07075	1.2
63.54150	0.6
67.05491	1.0
69.03432	19.1
69.07072	17.7
69.73005	1.8
69.73415	2.2
70.02962	3.8
74.02441	20.6
75.22204	0.6
79.05489	1.0
81.07065	1.1
83.08618	14.5
88.03995	35.5
97.10174	88.5
98.21485	0.9
100.16909	0.6
107.08592	1.7
111.08079	3.7
116.03452	17.3
119.46434	0.5
125.09639	10.7
134.04491	100.0
142.12219	1.3
168.13878	1.4
194.11772	9.9
212.12865	7.5
240.12314	8.6
258.13376	86.2
272.85941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38495	6.2
56.96561	28.5
57.03431	22.0
61.02921	34.3
61.59085	7.2
69.03418	27.1
70.06584	20.9
70.35188	25.7
71.04982	12.0
73.02908	18.9
81.03416	19.4
83.06062	7.5
84.04522	14.7
84.08133	21.8
85.02915	73.8
86.09727	13.0
95.06123	12.8
97.02899	58.6
98.97575	39.7
99.04458	12.4
101.00859	9.1
103.00578	9.0
104.10725	10.8
105.03438	11.8
110.01237	10.5
110.07169	27.4
110.15984	8.5
110.97610	10.5
112.99179	8.9
116.07093	23.6
116.98608	15.9
119.01877	23.7
122.06033	7.2
124.03972	8.9
127.03919	24.9
128.02406	11.0
128.98639	8.4
131.01892	8.8
133.03510	8.7
140.02333	19.8
143.01923	8.9
145.05014	13.5
146.05026	18.6
147.05078	19.2
149.02864	12.4
152.02267	10.9
152.07048	13.5
158.99648	10.9
161.02950	10.7
161.05534	8.2
163.02650	9.4
163.04523	8.3
168.03673	29.3
169.04521	8.4
173.02968	14.3
177.02437	9.4
177.04106	40.4
182.03477	9.6
189.00734	9.4
189.02434	9.4
191.03992	22.3
212.14087	9.4
219.01706	9.7
232.99655	12.6
240.05663	12.7
240.08607	23.8
249.06229	14.4
258.02774	10.2
258.07449	100.0
258.09933	16.0
258.14474	34.4
263.00421	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	257.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.5
55.05269	3.5
55.05517	54.5
55.76072	3.2
56.96553	8.6
57.03422	7.4
57.07069	14.0
64.62151	2.9
67.05509	29.4
69.03442	6.5
69.07074	98.7
69.44605	21.2
71.04989	11.7
79.05492	9.7
81.07063	80.7
83.04966	7.1
83.08624	74.4
85.02851	2.8
85.06547	14.6
91.05478	18.0
93.07044	19.9
95.04943	5.3
95.08610	64.8
97.06565	16.0
97.09549	4.3
97.10174	72.3
98.97592	6.0
99.08075	9.4
105.07021	25.4
107.08607	24.0
109.06508	12.2
109.10163	57.3
111.08082	7.3
111.11725	23.8
113.05975	5.3
119.08601	19.0
121.10161	31.9
123.08056	7.8
123.11720	100.0
123.43903	2.9
125.09626	7.8
127.07552	6.0
128.98589	4.4
129.06981	4.1
129.09122	7.0
131.08604	5.3
133.10144	17.3
134.05983	3.1
135.11678	10.8
137.05948	3.0
137.09630	4.3
137.13235	8.7
139.11200	37.1
141.09145	4.3
143.08549	5.6
143.10703	4.8
145.10132	10.5
146.06041	6.5
147.11694	33.1
149.13339	6.3
151.11086	4.0
152.07031	7.5
157.10167	6.0
157.12259	47.0
159.11710	5.3
160.07556	8.0
161.13254	18.1
163.14867	6.7
165.12744	20.7
169.10081	3.5
171.11742	5.9
173.13249	4.5
175.14807	7.9
177.16382	5.3
179.18016	19.0
183.11694	4.7
183.13789	12.5
187.08688	44.7
187.14816	3.9
194.05173	5.8
197.13223	4.5
198.01926	3.1
199.14816	3.2
203.05820	15.1
203.17960	33.6
211.97054	2.9
213.06604	26.8
214.06642	2.9
214.12244	6.3
221.18991	36.6
228.08789	2.7
229.06133	3.4
229.09993	6.2
229.13359	5.1
237.06999	3.3
239.14284	2.8
239.16386	5.3
239.20070	7.6
242.10541	23.2
257.08344	5.2
257.12964	73.0
257.15524	2.9
257.19263	14.1
257.22946	25.0
257.26797	4.0
257.58493	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	256.9646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98626	0.3
56.96568	9.0
70.69627	0.2
70.69953	0.5
71.28847	0.2
71.95267	3.4
76.10170	0.2
86.28561	0.2
98.97588	100.0
112.92238	0.2
116.98627	31.8
119.01865	0.2
130.93295	1.2
134.99669	6.5
140.00204	0.8
152.25067	0.2
153.00729	0.4
154.93298	0.2
172.94363	4.9
190.95396	2.2
197.95103	0.3
208.96397	0.4
214.95399	2.8
232.96461	3.5
250.97583	1.3
256.96469	12.1
271.96933	0.2
274.97516	50.2
278.83209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01872	0.7
55.05502	2.9
57.07073	2.1
57.99053	0.7
65.39639	0.8
67.05503	6.3
69.07066	4.3
71.04983	4.2
79.05492	6.4
81.07068	6.4
83.04999	0.8
83.08591	2.0
85.06534	3.5
88.07644	0.7
89.70213	0.7
91.05478	8.6
93.07052	18.2
95.04961	4.0
95.08615	10.2
97.06523	1.3
97.10090	0.7
99.08076	1.3
103.05478	1.6
105.07030	20.5
107.08603	14.6
109.06519	5.8
109.10157	10.3
111.08062	3.7
113.09612	0.8
115.05457	0.8
117.07021	4.9
119.08582	19.4
121.10147	71.7
123.08070	3.0
123.11697	2.4
128.06216	1.8
129.07039	3.6
130.07788	0.7
131.08566	10.8
131.37061	0.6
133.07596	1.0
133.10135	11.0
135.08064	23.4
135.11674	3.4
137.09621	7.1
139.87589	0.8
141.06937	1.6
142.07805	4.2
142.63295	0.7
143.08557	15.7
144.09326	1.3
145.10127	14.5
147.08067	1.0
147.11685	2.7
149.09644	4.0
149.13347	0.7
151.11142	1.3
154.07730	0.8
155.08546	4.0
156.09308	3.8
157.10143	17.6
158.10898	3.0
159.08029	1.1
159.11697	18.7
161.09624	1.3
161.13263	1.9
163.11171	4.2
168.09331	1.3
169.10118	8.8
170.10864	2.2
171.11697	9.7
173.09634	1.6
173.11755	1.5
173.13254	21.0
174.14154	1.1
175.11205	1.6
175.14847	2.5
177.12756	1.9
181.10178	0.9
182.10899	1.4
183.11688	8.7
184.12508	3.2
185.13290	1.8
187.11176	4.5
187.14874	3.9
189.12721	1.5
195.11639	1.6
197.13268	8.2
199.14827	29.5
201.12761	6.8
209.13155	1.0
211.14761	1.0
213.16374	9.3
214.17194	1.9
215.14264	3.3
215.17920	7.4
224.15646	2.0
239.17958	12.8
257.19012	100.0
257.26596	12.9
258.27795	1.4
259.46240	0.9
268.75024	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01872	3.0
55.05503	0.3
56.96556	1.5
57.03439	6.1
59.04988	0.7
61.02927	2.5
69.03431	4.1
70.03759	0.2
70.06582	1.0
70.98127	0.3
71.01345	1.4
71.04993	0.5
71.54105	0.3
73.02919	4.0
78.03437	0.4
79.05474	0.3
79.38474	0.2
80.05019	1.3
81.03421	0.7
82.06571	1.3
84.04453	0.3
84.08142	0.3
84.96030	0.5
85.02908	8.6
85.94818	0.2
86.03228	0.3
87.04446	1.2
89.00772	0.3
91.03935	0.5
96.04483	0.6
97.02888	3.4
98.97578	2.7
99.04459	0.5
100.07618	4.6
101.00871	1.2
101.02393	0.5
103.03944	0.7
109.02884	0.6
110.01292	0.4
110.97589	1.1
112.99165	0.3
113.00838	0.3
114.05544	0.4
115.00671	0.4
115.02390	0.2
115.03933	2.5
116.98617	0.6
119.01888	1.6
123.05570	0.8
123.33717	0.2
124.03955	100.0
124.95509	0.3
125.04260	0.3
127.02425	0.3
127.03904	1.1
128.02316	0.8
128.98604	0.8
129.01889	0.4
130.08672	1.0
131.00166	0.3
131.01897	0.4
133.04967	4.5
135.04379	0.2
138.05513	0.2
143.00180	0.8
143.01892	1.0
143.03311	0.2
145.03580	0.3
145.04942	0.8
146.08115	5.4
147.08432	0.3
155.01862	0.8
155.08163	0.5
157.01495	0.3
157.03435	0.4
158.99672	0.5
159.05074	0.3
161.01257	0.6
161.02919	0.9
161.04512	0.2
162.03593	0.8
167.01947	0.3
169.03500	0.4
170.96068	0.3
170.99654	0.2
173.03021	0.6
174.04523	0.3
174.06114	0.2
177.00665	0.4
177.02316	0.3
179.02115	0.3
182.03397	0.4
183.02345	0.9
183.04970	0.3
185.01344	0.3
185.02963	0.8
186.04402	0.4
187.02911	0.3
187.04651	0.6
189.03960	1.2
190.05037	0.3
191.03923	0.5
192.02873	0.2
203.02252	0.5
203.05595	0.5
204.02948	0.5
205.03735	0.4
205.05565	0.3
210.06203	0.3
213.03371	1.2
215.04086	0.5
219.01778	0.4
226.04280	0.3
228.07230	0.8
229.05481	0.3
233.01512	0.4
233.05212	0.6
239.81068	0.2
245.05161	1.7
246.05299	0.4
246.08351	0.3
251.02487	0.5
256.02951	0.6
256.06369	0.3
256.08569	0.2
256.11798	1.1
257.04935	0.3
261.02881	0.3
263.06299	0.3
274.07642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01867	0.6
56.05025	1.3
57.03423	1.4
61.02929	0.5
66.03463	0.5
68.05029	6.5
69.03432	6.2
69.51491	0.6
69.51900	1.6
71.04984	1.0
73.02916	0.8
78.07272	0.3
81.03419	12.4
85.02424	0.6
85.02903	7.9
94.02931	100.0
97.02894	3.1
98.20747	0.5
99.04456	1.8
109.02879	6.2
109.03587	0.5
112.03967	16.4
127.03926	3.3
145.04985	0.6
154.05080	0.4
164.10718	0.9
210.11279	0.6
238.07106	10.7
256.08200	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73030	0.2
53.03941	1.0
55.01872	0.5
55.05484	0.3
56.05030	1.2
56.43084	0.2
57.03442	1.7
57.07067	0.3
61.02919	0.4
66.03470	0.5
67.05502	0.3
68.05029	7.4
69.03078	0.4
69.03432	6.4
69.07082	0.3
69.46846	1.9
71.04990	0.8
73.02901	0.4
79.05484	0.5
81.03419	10.0
81.07062	0.6
83.04968	0.3
85.02906	7.2
94.02933	100.0
95.08575	0.3
97.02898	2.2
97.76279	0.3
98.20783	0.6
98.97579	1.3
99.04456	1.5
107.08643	0.5
109.02884	4.8
109.06547	0.4
112.03970	18.5
114.57302	0.3
116.98644	0.5
122.10461	0.4
124.03975	0.3
127.03938	3.1
133.10068	0.3
136.11218	0.3
143.33929	0.3
145.04913	0.4
152.11659	0.3
158.99646	0.5
164.10739	0.8
182.09003	0.6
196.06172	0.4
197.16339	0.3
214.58823	0.3
223.09267	0.5
223.59247	1.7
238.04677	0.4
238.07097	9.0
256.08163	3.0
256.12173	0.4
256.26456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55868	0.4
55.01873	3.8
55.05510	0.8
55.25142	0.3
56.96565	2.1
57.03443	6.0
59.05005	1.0
61.02930	3.6
69.03432	4.0
70.06607	0.6
70.98128	0.5
71.01350	1.3
71.04993	0.7
73.02923	4.1
80.05022	1.4
81.03424	0.7
82.06583	0.9
82.99849	0.5
83.04984	0.6
84.08134	0.4
85.02912	8.6
85.06596	0.4
87.04488	2.1
96.04507	0.6
97.02896	3.8
98.97572	3.2
100.07626	3.5
101.00896	2.6
101.02392	1.7
103.03980	1.0
109.02883	0.7
110.97602	0.9
112.15810	0.4
112.99186	0.5
113.00835	0.7
115.02459	1.1
115.03916	4.0
116.98675	0.5
117.04021	0.4
119.01948	2.4
124.03962	100.0
127.02418	0.4
127.03915	0.9
128.02434	0.7
128.98607	0.7
129.01837	2.5
130.08575	0.5
131.01891	0.7
133.04991	4.7
135.04434	0.6
139.53232	0.4
140.07094	0.7
141.63029	0.4
142.03511	2.1
143.00192	0.7
143.01955	2.2
143.03401	1.2
145.03438	0.7
145.05000	0.7
146.08128	2.7
147.04431	0.5
153.05743	0.4
154.03709	0.4
155.01917	0.6
155.08153	1.5
157.00174	0.4
157.01355	1.8
157.03378	0.6
158.99661	1.2
161.01131	0.4
161.01772	0.4
161.02965	2.5
161.04482	2.0
162.03525	0.5
163.04353	0.7
168.06607	0.7
169.58661	0.4
171.02873	0.6
172.97655	0.4
173.02939	0.7
181.04988	0.4
182.03215	0.4
185.02989	1.2
187.04527	0.5
189.02443	0.8
189.03967	6.0
190.98573	0.4
191.03903	1.0
196.07263	0.6
200.04156	0.4
201.00789	0.5
203.05588	2.3
215.07735	0.5
233.01489	0.8
233.05217	0.6
245.05150	1.3
251.02437	0.9
256.03046	1.5
256.08368	1.6
256.11646	2.3
274.04050	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.2
53.14380	2.0
54.61418	2.2
55.01867	9.6
55.05499	6.8
56.96293	3.6
56.96570	57.5
57.03440	20.0
57.07058	2.2
59.04998	3.5
61.02926	34.1
65.03935	1.9
66.52275	2.2
67.05506	3.7
69.03432	43.1
69.07061	5.1
70.06596	12.7
70.98130	17.4
71.01343	3.8
71.04993	8.0
71.95254	2.6
72.08157	21.2
73.02924	23.9
73.11501	2.0
79.05505	4.8
81.03425	15.0
81.07065	2.8
82.06598	4.5
83.04987	2.9
83.06123	4.2
84.08145	5.9
84.96037	9.0
85.02910	97.4
86.09706	2.8
87.04468	9.6
88.99162	3.8
89.00760	2.1
91.03948	9.2
93.04495	2.1
95.04979	4.3
96.08125	2.8
97.02902	37.2
97.06551	2.9
98.21131	16.8
98.97592	62.8
99.04464	5.4
100.02477	4.5
100.07627	15.1
101.00887	12.3
101.02392	6.2
105.03393	4.8
107.01817	3.3
107.04941	2.8
109.02888	14.1
110.01298	6.1
110.07174	52.7
110.97572	18.8
111.04457	4.0
112.07608	2.2
112.99168	3.8
115.00694	6.8
115.02451	5.8
115.03962	10.7
116.01267	4.3
116.97121	2.3
116.98635	17.9
117.02012	3.1
117.02879	2.3
119.01859	22.4
122.06040	7.6
123.05561	2.3
124.02579	4.3
124.03963	100.0
124.07595	3.4
124.08736	2.6
124.95498	4.1
124.99137	10.2
125.06038	5.1
127.00687	2.8
127.02421	2.5
127.03927	19.4
128.02306	14.0
128.98607	14.3
129.01865	4.3
129.10260	2.8
131.00171	2.8
131.01833	5.7
132.00725	2.4
133.01607	3.1
133.03476	6.2
133.05003	4.9
134.99666	3.7
135.04457	3.0
137.02881	4.0
138.97011	2.2
140.07083	3.0
140.98653	4.3
142.03558	6.3
143.00172	20.4
143.01898	11.8
143.03368	3.4
144.98141	3.8
145.03363	4.7
145.05011	11.4
146.08151	5.4
146.99660	8.8
147.05786	7.5
148.02090	3.3
149.00560	5.2
150.09135	17.1
152.07039	3.6
152.10712	4.3
154.01932	2.8
154.96558	5.5
155.01857	3.1
155.08167	2.8
156.07716	16.2
156.98091	4.5
157.01515	5.3
158.99667	20.2
159.00986	2.9
161.01254	18.4
161.02921	10.7
161.04428	4.0
162.01819	4.6
162.03622	20.4
163.04541	2.7
166.08543	2.2
167.11792	5.1
168.01894	2.5
168.05399	5.2
168.10197	5.4
170.99588	3.6
172.97575	18.1
173.01253	2.9
173.02875	3.7
174.01819	5.8
174.99188	5.1
175.02861	4.6
175.04420	10.0
177.00693	10.3
177.02258	4.8
179.02286	6.6
181.02692	2.6
181.04584	2.4
182.03334	6.1
183.02338	19.6
183.04999	4.0
184.04958	8.0
185.01263	6.8
185.02888	3.4
186.04471	3.3
187.02783	5.4
187.04565	9.1
188.04507	2.3
188.97124	3.8
189.00740	5.6
189.02463	3.1
189.03874	12.6
190.04915	6.8
190.98674	18.8
191.02396	3.2
191.03894	6.0
192.02849	10.9
193.00209	4.5
193.03253	3.5
194.04375	2.5
196.01390	4.4
196.05794	5.6
197.03311	4.3
200.04305	2.4
201.00714	4.7
203.02303	10.5
203.05571	3.8
204.02890	11.5
205.00134	3.2
205.01865	3.4
205.03706	2.3
205.05563	5.5
208.99678	3.0
210.12462	2.5
212.04347	2.4
213.03395	74.9
214.03972	4.5
214.98624	4.3
215.04034	3.9
217.00227	3.9
217.03714	2.6
218.98215	5.8
219.01762	10.9
219.55458	2.1
220.99721	4.0
221.03349	6.6
221.16486	3.4
222.03909	5.5
224.08005	3.2
226.04118	4.5
229.00165	2.5
232.99657	6.9
233.01414	8.3
233.03357	5.1
233.54631	3.9
237.02858	5.2
238.19200	7.5
239.04076	2.7
243.01715	3.6
244.05022	3.8
247.06776	7.8
249.02701	3.3
251.00539	6.2
251.02594	6.2
256.03006	12.5
256.07224	6.8
256.12744	20.5
256.16092	3.8
256.20227	12.9
256.26373	5.2
261.02872	4.3
262.06052	3.4
263.00751	4.3
263.03873	2.5
274.04102	5.7
275.00671	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
55.01871	1.9
55.05092	1.2
55.05518	13.3
55.80825	1.0
57.03429	2.2
57.07069	1.6
59.04988	1.0
63.66388	1.0
67.05181	1.6
67.05511	24.7
69.03429	6.5
69.07072	10.4
69.66436	5.4
71.05006	9.5
71.08609	1.1
79.05496	9.5
81.03430	1.4
81.07063	29.2
83.04996	6.8
83.08619	4.0
85.02904	1.9
85.06545	5.8
87.04452	1.3
91.05482	9.7
93.07051	21.1
95.04450	1.5
95.04984	19.3
95.08614	100.0
97.02860	1.4
97.06525	11.8
97.10182	17.1
98.97574	2.2
98.98483	8.4
99.04460	6.7
99.08086	3.6
105.06500	1.2
105.07045	11.7
107.04958	2.4
107.08605	9.1
109.06532	9.2
109.10148	4.3
111.04467	1.9
111.08066	2.7
113.06010	4.0
113.09628	2.1
117.07020	3.8
118.91844	1.1
119.08585	8.2
120.06628	1.1
121.06513	4.8
121.10150	12.9
123.04426	1.4
123.08075	17.2
125.06018	7.2
125.09612	2.7
129.05467	1.6
131.08598	7.1
133.06467	2.2
133.10156	5.2
135.08049	3.3
135.11682	3.6
137.05977	1.9
137.09636	3.6
139.07526	1.9
139.11177	2.2
139.98409	1.0
141.05482	7.0
141.09084	2.4
143.07011	6.7
145.10126	3.5
147.11665	3.7
149.09679	1.5
149.13255	9.3
151.07588	1.5
151.11179	1.8
153.05473	1.2
153.80762	1.2
155.07053	1.4
157.01314	1.2
157.10136	3.1
159.06534	2.9
159.07954	1.5
159.11688	15.6
167.07082	1.7
167.08501	1.4
169.08626	1.5
173.13295	6.3
175.11214	1.1
177.12773	20.5
179.10712	1.5
181.04997	1.9
191.14305	16.8
195.08133	1.1
195.13812	5.5
201.12749	4.0
201.16348	1.5
209.09700	2.2
214.53693	1.0
219.13794	9.7
219.17375	1.7
223.09036	1.5
225.09062	4.1
237.14861	68.9
237.18629	2.1
255.06410	2.0
255.10472	1.9
255.11827	2.0
255.15883	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	255.1227
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
52.71228	2.8
53.03961	3.0
55.01869	4.0
55.05508	8.1
57.03430	5.4
57.07074	2.6
59.04998	2.9
64.72195	2.2
65.03948	2.5
67.05505	12.8
69.03442	11.2
69.07074	12.1
69.63741	8.7
69.64153	4.8
71.04996	4.9
79.05493	26.5
81.03413	9.0
81.07061	15.0
83.04985	26.0
85.02890	4.6
91.05471	21.9
93.07041	19.8
95.04969	20.5
95.08591	9.1
97.02882	2.3
97.06531	16.4
99.04451	4.3
105.03393	5.2
105.07034	26.1
107.04970	17.2
107.08598	41.9
109.06519	19.9
109.10157	11.9
111.04442	4.3
111.08068	10.5
115.07615	3.0
115.28243	2.1
117.07035	10.8
119.08585	27.5
121.06499	18.0
121.10141	17.4
123.04443	7.0
123.08066	9.1
125.05985	16.9
125.09647	4.8
127.03874	3.3
128.06232	4.1
130.07777	3.1
131.08569	18.1
133.06477	8.5
133.10133	20.0
135.04398	9.0
135.08052	22.6
135.11720	5.3
137.05968	7.8
137.09599	24.7
137.71706	2.2
139.07541	5.2
143.07040	5.0
143.08556	6.7
145.06448	3.6
145.10123	34.6
147.08046	14.1
147.11549	2.7
149.06010	4.3
149.09610	21.1
151.07504	4.3
151.11172	3.8
153.05421	4.2
153.09103	8.8
155.08574	6.1
158.07268	7.2
159.08051	12.8
161.05959	2.6
161.09628	44.2
162.10393	2.6
163.11189	18.2
165.09128	4.5
171.06606	5.2
173.09615	35.9
175.11244	4.3
177.09045	7.5
179.10692	30.2
181.12314	12.3
185.08167	13.5
189.09071	14.2
191.10678	29.3
191.21426	2.1
199.06053	2.6
201.09135	7.6
207.10165	59.5
209.11711	43.8
209.77202	2.3
219.10112	21.7
227.09085	4.2
237.11208	15.1
255.12282	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1228
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
53.00294	2.5
53.03936	1.3
55.01863	1.9
55.05508	8.8
56.96562	1.2
57.03423	1.7
57.07080	2.3
59.04987	3.0
67.05505	10.6
69.03075	1.8
69.03433	22.9
69.07079	6.0
69.68759	5.9
71.01357	72.7
71.04997	3.1
73.02892	1.2
79.05501	8.6
81.03405	1.2
81.07066	16.4
83.04992	15.3
83.08607	2.3
85.02890	2.4
85.06531	3.4
89.02396	59.2
91.05463	5.1
93.07044	14.5
94.15185	0.9
95.04996	5.2
95.08605	18.5
97.06537	7.9
97.10175	4.3
98.21474	1.9
98.97594	4.5
98.98463	8.9
99.00822	12.6
99.08112	1.3
101.06018	1.5
103.05494	1.0
105.07032	11.2
107.04975	3.2
107.08614	7.4
109.02883	11.0
109.06531	6.4
109.10158	4.2
111.04478	1.8
111.08098	4.9
113.06015	1.7
116.98579	1.7
117.07013	1.5
119.08579	6.9
121.06542	1.6
121.10149	46.2
123.04477	1.1
123.05561	1.3
123.08072	5.3
123.11735	1.2
125.05994	4.1
125.09617	1.7
127.03890	1.2
127.11227	1.8
128.10776	1.5
131.04906	1.0
131.08601	3.0
133.10112	5.3
135.04448	2.4
135.08032	3.4
135.11728	3.0
137.05995	3.0
137.09659	2.8
137.65068	1.0
139.11185	100.0
141.05496	1.3
145.10130	4.0
147.04462	1.1
147.08041	1.3
147.11723	2.2
149.06119	0.9
149.09708	1.5
149.13260	2.6
151.07524	1.0
151.11308	1.5
153.04291	1.9
153.05472	16.6
155.07140	1.0
157.10101	1.7
158.99689	3.3
159.11697	4.8
162.02264	1.2
163.04018	1.8
163.07590	2.0
163.11217	2.0
165.05513	1.0
165.09131	3.8
167.08650	0.9
173.09561	1.0
173.13272	3.0
177.09135	1.4
177.12766	4.9
181.04930	4.7
181.08623	1.6
185.06496	1.3
191.07013	1.4
191.10716	2.8
191.14308	3.4
195.13802	2.3
196.05974	1.3
199.06015	20.8
199.07790	1.4
201.12849	1.4
209.08063	1.4
209.11792	2.4
210.14902	3.1
212.04652	0.9
214.08478	1.2
219.10190	3.2
219.13821	3.9
219.17503	1.6
219.21077	1.0
223.09096	3.8
227.07077	1.1
237.07532	1.2
237.11287	4.5
237.14850	10.5
237.18581	1.6
238.14450	4.8
255.06578	2.6
255.12311	32.2
255.15999	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	255.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27873	10.4
54.59730	10.9
55.05520	11.0
56.96562	59.8
57.03440	24.3
57.07077	16.8
61.02923	34.0
67.05531	11.8
69.03423	39.2
69.07060	18.9
69.97272	18.5
69.97676	26.2
73.02924	17.7
81.07057	9.8
82.06560	15.3
85.02897	64.7
97.02909	31.6
97.06588	13.7
98.97582	17.5
98.98468	28.8
100.07632	35.1
101.00881	22.1
119.01913	18.2
123.05549	41.9
124.03974	33.6
127.03950	18.9
128.98627	10.7
131.85194	10.1
143.01901	28.5
144.98120	11.0
144.99812	14.9
146.08109	47.5
150.01808	11.8
155.01910	19.5
161.02959	20.3
165.02740	10.5
165.23810	12.0
173.02914	14.0
174.04556	18.7
185.02965	22.0
190.98651	30.4
201.85345	10.3
205.02057	10.9
208.99747	33.6
227.03989	12.1
232.06873	11.8
245.05156	25.1
255.03882	17.6
255.06282	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02421	0.7
60.08171	86.3
64.72766	0.7
65.03951	3.9
65.48248	0.7
70.24100	1.2
70.24442	2.0
73.29965	0.6
75.76763	0.8
77.70307	0.6
85.02947	0.6
91.05497	6.6
93.03410	24.7
95.04995	0.9
98.21417	0.8
98.97633	0.7
102.51514	0.6
110.03690	2.4
110.07189	1.6
111.04446	9.9
117.03380	0.8
119.04958	5.6
121.06503	1.8
125.06004	42.6
134.03618	1.5
146.08153	0.9
149.05998	82.2
150.06679	0.8
151.07567	1.2
153.05482	100.0
163.03951	0.9
177.05481	4.6
190.05002	1.0
195.06549	69.7
208.14485	0.8
254.13885	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45563	0.3
50.53519	0.3
52.04776	0.3
53.03949	0.4
53.17194	0.4
55.05508	1.0
56.05840	0.4
57.03421	0.6
58.02944	0.9
59.37780	0.4
62.06102	0.5
67.05508	1.4
69.03457	0.6
69.07068	1.3
69.55836	1.9
71.04993	0.8
76.04012	0.4
79.05495	2.2
80.05013	0.8
81.03419	0.5
81.07068	2.7
82.07378	0.5
83.08612	0.5
84.08149	0.5
85.02926	0.7
85.06551	0.4
88.04002	1.1
91.05472	1.0
93.07057	4.2
94.06578	0.7
94.07401	0.5
95.04993	0.4
95.08601	1.8
96.08945	0.3
97.06548	0.7
98.09715	0.4
98.97576	2.0
98.98483	1.2
99.04391	0.3
100.07629	0.3
105.07073	0.8
107.08566	2.7
108.08134	2.9
108.08831	0.6
109.10119	0.6
110.09696	0.8
110.10458	0.4
114.05523	0.7
116.98621	0.4
118.07301	0.4
119.08578	1.1
120.08101	0.5
121.10136	0.7
122.06828	0.4
122.09682	4.4
123.10489	0.6
124.07561	0.4
124.08409	0.4
126.05516	0.6
127.03985	0.5
128.07112	0.5
128.16782	0.3
133.10164	0.8
134.10425	0.4
134.76346	0.3
135.11705	2.7
136.11218	2.5
138.05515	1.5
140.07008	0.6
142.08640	1.1
144.08817	0.4
146.10533	0.6
150.12775	2.7
151.13539	2.6
152.07085	0.5
153.07878	0.5
153.12698	0.4
154.08643	0.9
156.06413	0.4
156.10146	0.6
158.99654	1.0
162.09175	0.4
162.13696	0.3
164.14348	6.7
166.08644	2.1
167.09360	0.5
168.10228	1.4
180.10167	2.8
181.10992	1.4
182.11809	0.9
182.49832	0.4
208.13243	1.9
209.10742	1.3
210.14894	100.0
211.15080	0.5
212.16469	5.3
213.07802	1.0
213.48364	0.4
218.12643	0.4
218.16197	0.5
222.08350	0.8
236.09163	0.6
236.13567	0.6
236.17149	0.5
254.13155	1.3
254.17516	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2162
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
55.01859	3.8
55.05514	67.0
55.54128	1.9
56.35228	1.7
57.03442	4.2
57.07080	19.0
58.86202	1.7
59.05007	2.0
67.05505	55.2
69.03431	3.7
69.07070	100.0
69.25294	19.1
71.04990	8.2
71.08623	4.1
73.06556	3.1
79.05500	29.0
81.07061	87.9
83.04978	5.4
83.08622	68.5
85.06545	10.9
85.10186	3.9
88.80267	1.9
89.06016	2.3
91.05492	24.0
92.57536	1.7
93.07051	42.5
95.08610	81.3
97.06544	12.3
97.10178	53.1
98.98470	73.5
99.08085	8.3
105.07034	21.7
107.08591	25.4
109.06459	2.8
109.09470	2.7
109.10162	38.5
111.08080	11.8
111.11735	20.4
113.09644	4.2
115.07594	3.1
119.08570	25.1
121.10149	38.6
123.08047	4.5
123.11720	14.7
123.43510	1.8
125.09642	6.2
125.13321	8.9
131.08659	1.9
133.10141	29.8
135.11700	35.4
136.18723	1.9
137.09605	8.8
137.13261	12.3
139.11223	9.7
141.09119	3.4
147.11682	23.3
149.13257	7.8
151.11186	11.4
151.14822	8.0
153.12709	8.8
155.10652	3.0
159.47163	1.9
161.13257	21.2
163.14838	3.3
165.06908	1.8
165.12788	9.8
167.14256	2.0
175.14807	8.4
177.16273	1.9
179.14308	7.5
189.16325	4.0
191.18097	4.3
193.15974	2.3
193.19543	7.4
216.98853	1.9
217.19525	50.8
235.20587	46.3
243.26254	1.9
253.08568	4.7
253.12187	3.8
253.19292	4.0
253.21660	40.8
259.37396	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2163
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
53.03941	2.7
55.01854	3.3
55.05518	23.7
57.03434	3.1
57.07083	10.3
59.04985	4.0
62.74303	1.3
67.05183	1.9
67.05512	30.0
69.03402	1.6
69.07072	47.5
69.33161	7.7
69.33591	4.7
71.04981	6.3
71.08620	3.4
73.06547	2.1
79.05494	13.9
81.07063	100.0
83.04947	1.9
83.08218	2.0
83.08630	23.3
83.63161	1.5
85.06548	28.8
91.05480	9.5
93.07053	35.3
95.04939	2.1
95.08614	78.0
96.70805	1.3
97.06541	10.0
97.10171	11.2
98.20689	2.5
98.98475	29.5
99.04462	1.8
99.07482	2.2
99.08102	25.4
105.06391	2.3
105.07040	29.0
107.08597	38.8
109.06501	5.4
109.09472	2.7
109.10163	44.9
111.08076	15.3
111.11709	6.3
113.09615	2.7
119.08587	23.1
121.10149	30.4
123.08011	1.9
123.11721	35.9
125.09628	5.7
125.13281	3.3
127.07468	2.4
133.10118	10.7
135.11713	17.7
137.13237	5.8
139.11200	3.6
141.12720	1.6
147.11702	13.1
149.13271	23.0
151.11172	2.0
151.14809	2.3
157.10181	1.6
161.13266	17.4
163.14796	3.3
165.12723	1.7
175.14835	4.9
177.16379	1.7
189.16420	2.5
191.17976	11.4
205.19484	4.0
217.19478	10.4
223.20631	2.2
235.20547	11.1
253.08659	2.1
253.21648	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	253.2164
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
50.06572	0.6
53.03950	2.4
55.01873	2.7
55.05515	29.2
56.96559	0.7
57.03432	2.1
57.07079	9.0
59.05002	2.7
59.40311	0.5
65.03941	1.9
67.05508	30.6
69.03430	2.1
69.07072	47.9
71.05000	8.3
71.08644	3.6
71.55199	0.7
73.06551	1.5
76.77851	0.6
77.03933	0.8
79.05496	17.1
81.03425	1.2
81.07062	100.0
83.04983	2.3
83.08624	26.2
85.02895	1.2
85.06547	29.7
89.06027	0.8
89.83266	0.6
91.05484	11.5
93.07050	42.0
95.04974	2.8
95.08611	79.4
97.06532	10.2
97.10177	9.0
98.98470	29.4
99.04491	1.3
99.08098	25.3
105.03419	2.3
105.07039	28.6
107.08598	37.9
109.02857	0.8
109.06567	3.4
109.10165	52.5
111.08091	18.2
111.11730	6.8
113.02382	0.8
113.09640	4.6
119.08588	21.0
121.06543	1.2
121.10150	33.4
123.08105	2.0
123.11715	34.3
125.09634	5.7
125.13274	2.2
127.07595	1.8
131.08598	1.8
133.06534	0.7
133.10143	9.0
135.08067	1.0
135.11697	17.1
137.09615	1.6
137.13260	5.7
139.11169	4.0
141.05446	0.6
141.12752	1.6
145.10173	1.3
147.11699	11.5
147.12776	0.8
149.13269	24.7
151.11252	1.2
151.14899	2.1
153.12799	1.5
157.10091	0.9
159.11710	1.5
161.13252	15.4
163.14848	3.1
165.12836	1.5
165.16422	1.5
173.13354	0.8
174.99217	0.7
175.11299	1.1
175.14810	3.4
176.98955	0.8
177.16432	2.5
179.14430	1.5
179.18040	1.3
189.16443	2.5
191.17935	8.4
193.12289	1.0
205.19489	4.5
209.19081	2.8
210.06633	0.6
217.12254	1.9
217.16125	0.9
217.19534	11.7
223.20732	1.0
225.09294	0.7
235.13309	1.5
235.16992	2.1
235.20575	10.6
253.08586	2.3
253.14174	0.7
253.19371	1.0
253.21669	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	253.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
55.05517	4.6
57.07070	2.1
67.05176	1.4
67.05512	20.1
69.07078	3.8
70.70753	0.7
79.05507	13.0
81.07066	26.4
83.08628	1.6
85.06507	0.7
89.06046	1.1
91.05490	13.0
93.07056	20.4
95.08617	16.5
97.10197	1.3
98.98479	36.2
105.07045	23.8
107.08607	24.1
109.09461	1.5
109.10168	19.3
111.11694	0.8
115.05416	1.2
116.99500	1.0
117.07043	7.3
119.08601	10.8
121.10165	8.9
123.11716	3.4
128.06224	2.6
129.07016	7.1
130.07806	1.7
131.08583	12.6
133.10143	23.0
135.11682	5.0
137.13266	0.9
141.07002	2.6
142.07800	10.3
143.08559	15.1
144.09358	1.0
145.10136	22.2
147.10535	1.0
147.11707	20.1
149.13229	1.1
155.08580	3.8
157.10144	58.6
159.10448	1.4
159.11703	19.4
161.13246	3.5
168.09332	1.1
169.10144	4.5
171.11713	8.8
173.13315	6.1
174.99263	1.3
176.98889	0.9
183.11726	5.5
185.13292	4.2
187.14822	2.4
197.11664	1.3
197.13283	8.6
199.14882	1.0
200.63564	0.8
203.17979	10.9
211.14774	4.0
225.16408	2.5
253.10173	1.9
253.16299	17.4
253.19528	100.0
254.20193	1.0
271.16791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1436
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
53.03957	4.4
55.01865	5.0
55.05516	13.7
57.07065	3.7
59.05006	3.6
67.05510	17.6
69.03417	5.5
69.07063	13.8
71.05003	9.5
71.19456	3.1
71.19786	2.4
73.06548	2.2
78.27393	1.6
79.05497	32.3
81.03453	2.5
81.07063	60.0
83.04981	10.9
83.08611	4.5
85.02898	2.7
85.06539	8.1
91.05482	26.9
93.07050	70.3
94.99684	1.6
95.04981	14.1
95.08619	27.6
97.06538	19.1
98.97867	3.8
98.98477	55.8
99.04462	16.7
99.08132	1.8
103.05487	1.8
105.07042	34.4
107.04957	4.8
107.08603	29.4
109.06528	34.2
109.10171	15.7
111.04443	2.4
111.08052	6.0
113.05989	3.5
115.05441	2.1
117.07024	5.9
119.08589	23.5
121.06516	85.2
121.10152	8.9
123.04441	2.8
123.08070	8.4
123.11698	5.1
125.05964	3.6
127.07578	14.9
128.06238	2.3
129.07019	7.6
131.08591	10.8
133.06523	4.4
133.10139	27.3
135.04410	4.4
135.08058	17.7
135.11681	5.5
137.05951	7.0
137.09587	3.8
139.07558	13.9
139.11201	2.3
142.07774	6.7
143.07047	2.7
143.08572	12.5
145.10109	9.1
147.08096	4.2
147.11694	41.1
149.09633	3.5
151.11267	3.9
153.09050	2.0
155.08560	2.9
156.09346	5.3
157.10141	27.6
161.09608	5.4
161.13280	11.8
165.12811	9.2
166.07790	2.2
168.13832	1.8
169.10123	2.1
171.11707	20.7
173.09622	4.8
173.13277	2.4
175.11195	22.4
175.14833	2.4
179.14409	2.1
181.10101	4.1
189.12773	24.7
190.89600	1.6
193.12323	14.7
196.13168	1.9
197.11656	2.6
199.11205	29.7
207.13803	15.1
211.13127	2.3
217.12267	100.0
217.15791	5.2
235.13304	77.0
235.16992	7.3
253.08638	3.7
253.14360	43.7
253.17957	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
51.81337	1.1
53.03945	3.6
55.01874	4.6
55.05513	7.5
57.03447	1.3
57.07062	2.1
59.05014	1.1
59.64272	1.1
65.03938	1.5
65.56387	1.0
67.05507	16.1
69.03435	5.6
69.07072	13.3
69.60471	1.0
69.83263	1.0
70.50794	2.3
71.04996	10.8
77.00141	1.0
77.03949	1.1
79.05493	23.5
81.03427	2.5
81.07062	53.6
83.04985	6.7
83.08615	4.1
85.02906	4.5
85.06531	5.8
91.05485	15.3
93.07048	42.1
95.04971	14.8
95.08604	22.3
95.09166	1.8
96.64069	1.0
97.02891	1.8
97.06535	18.0
98.20806	1.1
98.98473	35.3
99.04471	10.9
99.08092	7.5
101.06005	1.4
101.43345	1.0
103.05470	1.6
105.07035	34.9
107.04974	6.0
107.08594	24.5
109.02853	2.0
109.06524	33.4
109.07269	2.0
109.10163	8.9
111.08064	5.9
113.06014	4.6
115.05431	1.6
117.05471	1.2
117.07039	2.6
119.04965	2.3
119.08590	23.5
121.06512	100.0
121.10143	17.7
123.04424	4.5
123.08070	6.8
123.11736	3.0
125.05988	4.8
125.09623	2.5
127.07568	13.9
128.06248	2.4
129.07022	5.5
131.08582	10.6
133.06497	4.8
133.10147	12.6
135.04433	5.8
135.08078	11.5
135.11661	2.7
137.05981	5.1
137.09625	3.7
139.07547	15.6
139.11192	1.1
141.05467	3.0
141.07066	1.1
142.07791	4.6
143.07028	2.0
143.08582	10.1
145.10135	9.5
147.07072	1.2
147.08054	5.8
147.11694	32.8
149.09639	4.4
149.13248	3.3
151.07574	2.0
153.05437	1.4
155.08582	2.4
155.10674	1.6
156.09332	3.6
157.06554	2.3
157.08722	2.2
157.10123	17.8
159.08051	2.0
159.11697	3.2
161.09625	4.0
161.13258	13.0
163.14850	2.4
165.06996	2.6
165.09116	1.2
165.12788	4.6
166.07741	3.4
167.10738	1.4
169.10115	1.1
171.08078	1.5
171.11705	17.4
173.09673	3.0
173.13318	2.1
175.11203	21.4
175.14844	1.8
175.44060	1.4
176.11586	1.2
179.10593	1.4
179.14281	1.2
181.10117	8.1
184.08894	2.9
189.12769	24.4
193.12247	17.1
199.11198	35.5
199.14699	2.2
207.13866	12.2
209.08163	1.9
210.06677	1.0
211.13272	1.5
217.12254	93.6
217.15788	3.5
223.97372	1.0
235.13312	54.0
235.16794	6.9
241.05202	2.0
253.07034	3.0
253.14389	29.2
253.18074	4.8
253.21812	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17696	0.5
53.03938	1.8
54.43685	0.5
55.01868	2.0
55.05515	9.1
56.96566	6.9
57.03442	6.4
57.20856	0.6
59.04977	0.6
60.04513	1.0
60.08150	0.6
60.95850	0.6
61.02927	8.9
65.28473	0.7
67.05496	0.7
67.62811	0.5
69.03431	17.2
69.07073	1.4
70.06615	1.2
70.23710	2.0
71.01355	0.9
71.04988	2.0
73.02918	3.7
73.06558	35.4
73.94975	0.5
79.05495	0.9
81.03426	7.3
81.07066	1.1
82.06573	0.7
83.05013	1.2
84.04516	1.0
84.08149	1.5
84.96041	1.1
85.02908	100.0
86.03246	0.7
87.04488	2.2
91.03958	4.8
91.05488	1.6
95.04949	1.4
97.02892	22.3
97.06509	0.9
98.97597	11.5
98.98476	13.4
99.04468	4.3
100.07616	2.7
101.02404	0.9
102.96909	1.0
103.03931	0.9
109.02881	8.7
110.07168	0.9
110.97569	2.4
111.04443	1.7
112.07628	1.1
112.99134	0.8
115.03910	0.7
116.98637	2.5
119.01872	1.0
120.08095	6.5
123.04462	1.0
125.05975	0.9
127.03922	20.3
128.98621	2.0
131.01917	0.7
135.90092	0.5
136.07599	2.2
137.05966	3.7
140.98639	0.5
143.00197	1.1
143.01910	1.0
145.01765	0.6
145.04961	24.0
146.04153	1.3
146.08119	4.3
146.99619	0.6
147.03320	0.7
147.04424	1.1
150.05482	3.0
151.03615	0.6
155.04668	6.1
158.99683	3.0
161.01315	0.8
161.02966	0.6
162.99103	0.7
163.05986	3.9
166.08655	1.0
167.69749	0.7
170.99722	1.0
174.99190	0.7
176.99078	0.6
177.00705	1.3
182.06136	0.6
182.08072	0.8
185.01225	0.8
189.00702	0.7
190.05031	1.2
197.11754	0.9
201.00775	0.9
212.07800	0.9
217.03848	0.7
219.01852	2.0
229.07256	1.4
232.05626	0.8
237.02785	1.0
244.07918	1.8
252.57433	1.8
253.08786	1.1
253.11876	1.4
253.21127	1.3
253.58124	0.8
256.75143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
55.01873	0.8
55.05513	1.7
56.05048	0.8
56.96568	3.4
57.03439	2.4
57.07086	0.7
58.06592	1.0
59.05005	3.1
59.28297	0.6
60.04543	1.3
60.08161	1.4
61.02923	2.3
62.17414	0.6
67.05517	3.1
69.03432	8.2
69.07079	3.2
69.64239	1.9
69.64652	1.9
70.06610	2.2
71.01342	0.6
71.05011	1.5
72.04498	0.8
72.08158	1.6
73.02918	1.9
73.06564	100.0
79.05511	1.6
81.03429	3.3
81.07080	2.2
83.04997	1.5
83.08649	0.9
84.04498	3.1
84.08166	2.4
85.02914	27.3
86.09729	1.5
89.06055	1.2
91.05507	2.3
91.07595	5.8
93.07069	1.7
95.04977	0.9
95.06110	1.3
95.08642	2.5
96.06475	0.7
97.02914	6.2
97.06540	1.8
98.97616	4.0
98.98478	45.2
99.04491	2.3
100.07603	0.7
105.07038	1.4
106.06606	0.6
107.04962	1.1
107.08612	0.8
109.02882	7.1
109.06512	1.2
109.10172	0.7
110.07167	3.2
110.97609	1.1
111.04462	0.7
112.07655	0.8
116.98662	1.5
119.04968	0.7
119.08600	1.1
120.08126	2.0
121.06544	0.9
123.04472	1.0
124.07597	0.8
125.06049	0.8
127.03896	5.4
128.07104	0.8
128.98653	0.9
129.10262	1.0
130.05023	0.8
130.08676	1.6
134.06000	0.9
136.07634	1.4
137.06000	0.8
139.07588	0.7
141.05507	0.7
145.04955	3.9
146.08136	0.8
147.04430	0.8
149.06003	1.0
150.05516	2.2
151.04016	0.7
151.07576	0.7
152.07112	1.1
153.05525	1.4
155.08290	0.7
158.99715	1.6
161.06065	1.0
165.05559	0.9
174.99266	1.4
176.99113	0.7
177.00769	1.3
188.05238	2.0
193.05046	0.8
194.05341	1.0
194.09235	0.7
194.13737	1.0
196.04930	0.8
197.05804	2.1
197.11832	2.0
197.54001	0.8
207.06453	0.7
213.04478	1.0
219.01836	0.9
227.02341	0.7
231.05565	1.2
253.06598	0.7
253.08876	1.3
253.12393	2.7
253.15552	1.2
253.21182	1.5
254.14455	0.6
271.05011	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33915	0.4
60.19543	0.5
69.35893	4.0
70.02952	1.0
79.05492	1.3
81.07059	2.0
87.00841	3.2
91.05474	1.8
93.07041	1.4
94.04053	1.1
98.20689	0.9
103.05469	6.4
104.03487	0.5
107.04964	0.9
110.19823	0.5
118.06544	8.2
119.03573	1.4
120.08104	100.0
128.04956	1.2
131.04939	0.6
136.06184	61.0
137.04637	0.6
144.08156	0.7
146.06004	19.8
149.05997	0.8
164.07069	0.5
166.08682	1.3
171.46320	0.5
184.66095	0.5
188.07066	19.9
188.08801	1.0
192.06581	1.4
206.08124	71.6
216.06519	0.6
234.07608	2.8
234.13484	10.2
252.08832	1.4
252.14543	38.9
269.43829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0867
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
52.45396	0.5
58.37816	0.5
65.03941	1.1
66.24060	0.4
69.03440	0.7
70.02959	2.8
70.06583	0.5
71.19638	1.0
74.02441	23.6
79.05495	2.1
80.62120	0.4
81.03426	0.6
81.07065	2.0
84.04516	0.5
84.08159	0.7
86.09711	0.8
87.00839	0.7
88.03994	48.4
89.13837	0.5
91.05482	100.0
94.04078	0.6
98.98458	1.8
102.20672	0.4
103.05475	1.2
104.03440	3.6
105.03423	0.9
106.06523	1.4
107.04954	7.5
109.02910	0.8
116.03453	15.2
118.06565	1.4
119.03561	1.4
120.07252	0.6
120.08115	11.6
131.04907	2.0
134.04491	73.6
136.06190	62.4
136.07420	1.5
136.07776	1.0
145.44278	0.5
146.05962	2.5
163.73586	0.5
174.09923	0.5
188.07047	2.5
192.06526	2.5
206.08125	11.3
234.07649	7.1
234.11411	0.8
234.13512	10.5
252.08876	3.4
252.14552	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	252.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33915	0.4
60.19543	0.5
69.35893	4.0
70.02952	1.0
79.05492	1.3
81.07059	2.0
87.00841	3.2
91.05474	1.8
93.07041	1.4
94.04053	1.1
98.20689	0.9
103.05469	6.4
104.03487	0.5
107.04964	0.9
110.19823	0.5
118.06544	8.2
119.03573	1.4
120.08104	100.0
128.04956	1.2
131.04939	0.6
136.06184	61.0
137.04637	0.6
144.08156	0.7
146.06004	19.8
149.05997	0.8
164.07069	0.5
166.08682	1.3
171.46320	0.5
184.66095	0.5
188.07066	19.9
188.08801	1.0
192.06581	1.4
206.08124	71.6
216.06519	0.6
234.07608	2.8
234.13484	10.2
252.08832	1.4
252.14543	38.9
269.43829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1279
Annotation	Pterosin T
Peak:m/z	Relative Intensity
55.01873	6.1
55.05505	10.4
65.03933	3.6
67.05519	18.5
67.57225	2.6
69.03434	9.4
69.07062	5.3
69.19131	29.3
69.88870	2.2
69.89288	2.7
71.04993	11.0
76.65895	2.6
79.05497	22.8
81.07065	31.8
83.04962	3.7
83.08604	4.3
85.06549	12.0
91.05488	25.6
93.07049	62.4
94.76569	2.6
95.04970	23.7
95.08595	11.5
97.06535	17.9
98.98472	43.7
99.04458	11.2
103.05437	5.0
105.07037	42.4
107.04973	12.2
107.08596	16.0
109.06527	34.2
111.08072	13.1
116.06226	3.2
117.07014	12.3
119.04958	9.5
119.08585	8.7
121.06519	48.5
121.10146	7.3
123.08098	5.6
123.11687	3.0
125.05938	4.5
127.07552	8.5
128.06302	3.3
129.07001	8.0
130.07814	8.0
131.08594	22.8
133.06494	9.1
133.10132	10.7
135.08070	5.4
135.11742	4.3
137.05956	9.5
139.07544	36.2
142.07803	3.1
143.08572	6.6
144.09392	5.6
145.06491	12.8
145.09048	4.4
145.10141	69.3
145.11269	3.5
147.07874	3.4
147.11717	5.2
149.05984	4.6
151.07477	3.4
154.07782	8.7
155.08614	3.8
157.08614	21.8
157.09923	4.9
159.08098	6.9
159.11700	35.6
161.13313	2.8
163.11183	24.1
169.10133	16.5
171.11769	4.9
172.08757	3.8
173.05972	3.8
173.09648	24.0
174.99283	4.8
177.12796	10.1
179.08578	8.5
182.07292	3.9
187.09543	4.5
187.11191	77.0
189.12807	3.6
191.10696	19.2
197.09641	23.9
205.12262	32.3
215.10690	100.0
233.11751	40.5
235.50702	3.1
251.12630	29.1
251.16495	5.6
251.20088	6.8
251.23611	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	251.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01881	5.6
55.05508	5.6
57.03445	2.8
67.05507	12.8
69.03427	9.4
69.07068	6.5
70.86211	6.8
71.04989	12.3
79.05502	23.0
81.07063	29.3
83.04996	6.6
85.06562	4.2
91.05471	19.4
93.07048	30.6
95.04974	21.2
95.08617	13.7
97.06544	10.5
98.98473	38.5
99.04459	14.6
103.05479	2.7
105.07027	47.3
107.04984	11.6
107.08610	14.8
109.06531	25.2
109.10157	3.9
111.08079	5.9
113.06010	3.0
117.07019	18.6
119.04908	11.6
119.08595	14.3
121.06514	24.3
121.10124	3.6
123.08111	3.6
125.05993	4.5
127.07573	4.7
127.18278	2.6
128.06248	3.2
129.07022	7.7
130.07820	6.5
131.08580	32.5
133.06494	6.0
133.10141	6.8
135.08073	5.7
135.11702	7.3
137.05981	21.8
139.07518	12.9
141.07022	4.6
143.08585	14.0
144.09335	10.9
145.06511	11.9
145.10136	100.0
145.11288	4.8
147.08081	3.8
147.11708	6.3
149.06015	5.0
149.09509	2.8
149.44325	2.4
151.07567	5.8
154.07814	4.0
155.08588	3.7
157.08604	6.1
158.07303	5.0
159.08089	3.4
159.11716	46.1
161.09712	4.1
163.07533	3.2
163.11195	31.0
169.10136	14.7
171.08043	4.0
171.11752	6.7
172.08841	6.7
173.09633	40.8
175.11139	3.4
177.12712	5.1
179.08615	8.9
181.12262	9.5
182.07306	2.4
187.11194	94.3
189.12737	4.2
191.10689	30.7
195.06538	3.1
197.09666	18.3
205.12248	46.7
213.07709	3.6
215.10678	99.1
227.12801	4.1
233.11717	66.7
251.12785	34.7
251.20204	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	251.1279
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.03945	4.7
55.01868	7.6
55.05514	7.3
65.03928	2.7
67.05507	18.7
69.03424	9.7
69.07066	9.2
71.00273	5.3
71.04986	12.1
79.05497	37.9
81.03420	4.6
81.07063	62.2
83.04992	6.4
85.06551	3.4
91.05482	27.5
91.25421	2.3
93.07043	58.6
95.04973	24.5
95.08611	19.1
97.02888	3.7
97.06532	14.5
98.98489	24.7
99.04460	17.1
105.07037	51.4
107.04976	24.3
107.08589	31.9
109.06524	46.7
109.10148	4.0
111.08105	10.2
113.06021	4.0
117.07026	17.3
119.04953	16.3
119.08594	15.3
121.06508	42.5
121.10138	7.3
121.43737	2.7
123.04477	3.3
123.08069	2.5
125.05959	11.3
127.07585	3.2
129.07002	5.9
130.07780	5.4
131.08546	22.4
133.06487	12.2
133.10100	6.0
135.04445	2.5
135.08069	9.6
135.11679	14.7
137.05978	45.5
139.07533	19.1
141.07042	3.0
143.08578	10.7
144.09314	8.6
145.06502	12.5
145.10136	91.7
147.08066	3.9
147.11719	7.1
149.09631	4.7
151.07568	7.2
154.07776	6.4
155.08514	4.9
157.08606	12.8
158.07309	8.3
159.08087	5.5
159.11699	46.9
159.13017	2.9
161.13316	3.5
163.07613	3.6
163.11185	100.0
167.08583	2.8
169.10123	13.8
171.08026	5.1
171.11739	7.1
171.98016	2.4
172.08803	5.3
173.09628	45.0
174.99146	2.6
177.12772	8.7
179.08606	8.3
181.12230	26.7
182.07361	2.9
187.11183	78.8
189.12715	5.8
191.10675	37.6
197.09595	22.7
205.12265	39.6
215.10684	98.5
220.97441	2.7
227.12772	5.3
233.11742	60.6
233.14053	2.9
233.19144	3.0
245.90652	2.8
251.12784	40.6
251.15439	3.3
251.16530	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	251.1279
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.03946	3.5
55.01871	8.0
55.05509	6.1
59.04981	3.0
65.03941	2.8
67.05512	21.2
69.03431	9.6
69.07071	7.9
69.62450	3.1
70.94418	6.5
71.05003	13.8
79.05504	22.1
81.03411	4.9
81.07063	37.7
83.04995	7.5
83.08646	2.8
85.06559	11.3
91.05498	25.6
93.07039	39.3
95.04961	22.7
95.08611	14.0
97.06535	11.8
98.98468	67.8
99.04466	34.3
105.07037	49.9
107.04951	14.5
107.08614	22.6
109.06535	24.2
109.10164	7.5
109.31995	3.1
111.08102	3.1
111.24010	2.5
113.06044	4.5
114.28639	3.0
117.07028	19.6
119.04950	11.1
119.08590	21.0
121.06515	31.4
121.10151	8.9
123.08099	6.1
125.05964	6.6
127.07580	5.6
128.06226	6.2
129.07025	6.5
130.07823	4.8
131.04944	3.3
131.08575	30.8
133.06497	9.0
133.10129	12.4
134.20300	2.7
135.08086	3.6
135.11749	6.4
137.05984	17.1
139.07559	17.9
141.07022	3.5
143.08575	13.2
144.09351	6.5
145.06496	10.5
145.10130	99.6
146.06079	3.1
147.11688	5.0
149.05954	3.0
149.09656	4.0
149.13214	3.2
151.07529	6.8
154.07779	9.0
157.08598	11.8
157.09993	6.2
158.07346	5.3
159.08043	9.3
159.11699	49.9
161.09608	3.4
163.07530	5.9
163.11214	34.6
167.08595	4.0
169.08943	3.1
169.10126	17.1
171.11642	3.2
172.08878	4.2
173.09613	41.5
173.13289	3.5
177.09157	3.4
177.12802	6.5
179.08521	5.2
187.11203	100.0
189.12816	4.7
191.10692	27.7
197.09630	22.6
202.05219	2.8
205.12247	49.4
205.16129	3.1
215.10667	91.6
233.08070	3.8
233.11754	57.6
233.15408	7.8
233.18977	3.8
251.10135	3.7
251.12671	61.6
251.16428	6.3
251.20218	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	250.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.05504	1.6
56.05028	1.2
57.03156	0.7
57.03439	12.0
67.05483	2.4
68.05023	1.3
69.03403	0.8
69.07070	0.8
70.02951	1.3
70.06596	3.2
71.55383	0.8
72.00261	0.6
79.05496	9.4
80.05022	0.6
81.07057	1.4
81.86055	0.6
82.06554	2.0
86.06059	1.8
88.07628	7.0
91.05491	9.3
93.07035	2.5
94.06580	4.3
95.04937	1.0
95.08593	1.4
96.04469	0.9
98.98469	4.2
101.06026	15.8
103.05457	1.4
105.07038	28.4
106.06579	3.1
106.07187	0.7
107.04950	1.3
107.07392	1.3
107.08595	12.8
108.08133	0.9
109.06509	1.0
116.06216	0.7
117.05762	1.1
117.07026	0.8
118.06548	1.5
119.06085	0.7
119.07298	1.3
119.08594	1.5
120.04438	0.7
120.08095	2.5
121.08905	0.7
122.06016	1.3
122.09670	1.1
124.07581	1.4
129.06940	0.8
131.08594	4.0
132.08067	4.5
132.08937	1.1
133.06499	7.9
133.08855	5.6
134.06030	1.7
134.09653	1.7
135.06764	0.8
135.08096	0.7
136.06154	2.2
136.11223	1.5
146.09612	1.2
147.07941	0.8
148.07579	2.4
148.11226	9.8
150.09129	2.7
166.12292	14.7
176.10715	96.0
178.08614	2.9
194.11778	100.0
220.81342	0.7
232.13359	5.6
232.17741	0.8
235.11160	0.7
250.11557	1.8
250.14502	13.2
250.16957	1.6
250.21510	1.0
250.25504	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03933	0.7
53.69307	0.4
55.01865	0.7
55.05492	0.4
57.03428	0.8
67.05495	1.2
69.03434	3.2
69.07040	0.6
71.00729	0.9
71.04997	0.5
73.02901	0.6
79.05501	1.8
81.03406	1.0
81.07043	1.4
83.04964	0.7
85.02914	3.0
87.00829	0.9
87.04460	0.4
91.05477	5.9
93.07022	0.6
95.04974	1.0
95.08609	0.8
97.02872	1.3
97.06500	0.6
99.04462	0.5
103.05458	0.9
104.06281	0.4
105.07047	4.2
107.04963	3.5
107.08595	0.8
108.05262	0.7
109.02871	1.2
111.86661	0.4
115.05447	3.4
116.06236	2.7
117.07013	2.4
119.08598	1.0
121.06494	0.8
121.10135	0.5
127.03915	1.6
128.06221	6.8
129.07004	14.4
130.07788	0.7
131.04944	2.0
131.08569	12.7
132.05696	0.7
133.06500	2.2
133.10123	1.4
135.04399	1.5
136.05769	0.4
141.06984	7.0
142.07777	3.2
143.04916	0.9
143.08565	3.5
144.05714	7.2
145.06487	4.7
145.10159	0.5
146.07262	2.8
147.04338	0.7
147.08058	1.0
147.11765	0.5
149.05977	0.7
149.63045	0.3
151.07518	0.5
152.05745	0.6
153.06995	1.8
155.04936	0.5
155.06032	1.8
156.05693	1.9
157.06502	6.7
157.10060	0.6
158.07271	2.2
159.08055	21.5
160.05174	1.1
161.05992	3.4
161.09616	6.3
161.13277	0.4
167.07013	0.8
169.06439	1.2
169.07709	2.8
170.07275	6.2
171.04379	1.4
171.08031	5.0
172.05188	2.2
173.05983	3.0
174.06767	1.7
175.07556	2.7
175.11072	0.4
177.05463	0.5
177.09033	0.4
178.06294	0.8
181.07674	0.4
184.05167	0.5
185.05995	1.0
185.09608	0.5
185.13303	0.4
186.06770	0.8
187.07552	15.3
188.08328	1.1
189.05495	2.5
189.09109	6.9
190.06252	1.3
190.09828	0.4
191.07043	1.0
193.08560	1.0
198.06738	1.6
199.07481	2.3
201.05470	1.5
203.07005	4.9
203.10670	0.5
204.07831	10.4
205.08701	1.7
206.09384	1.0
207.10057	0.4
213.12825	0.3
216.07816	2.7
217.08582	0.7
218.09346	1.2
219.06569	0.4
219.10201	2.0
221.08070	0.9
221.11752	3.0
231.10158	5.3
231.13828	0.5
231.14897	0.5
234.08907	0.9
249.11223	100.0
250.13123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03934	0.5
54.40763	0.5
63.39231	0.5
67.05496	1.9
69.03436	2.3
69.07056	0.9
69.42117	3.5
71.05020	0.5
78.40070	0.4
79.05489	1.5
81.03416	0.8
81.07061	2.6
85.02897	1.2
91.05485	6.5
93.07038	1.9
93.66069	0.5
95.04992	0.9
95.08616	2.2
97.02887	0.8
98.97588	2.6
103.05475	0.6
105.07034	3.7
107.04971	1.8
107.08596	1.8
109.06526	0.7
109.10139	1.3
111.08099	0.6
115.05449	3.7
115.27307	0.5
116.06237	2.5
116.98667	0.4
117.07017	2.3
119.08596	2.3
121.06477	0.9
121.10147	1.2
122.81071	0.4
123.08054	0.6
127.03905	1.3
128.06229	7.1
129.07004	16.0
131.04950	1.5
131.08574	14.1
132.05719	0.9
133.06479	2.6
133.10115	2.5
135.08069	0.6
135.11658	0.5
137.09644	0.7
139.05539	0.4
141.06990	7.0
142.07777	4.0
143.08565	2.7
144.05711	7.1
145.06479	4.3
145.10106	0.7
146.07225	2.5
147.04416	0.9
147.08070	0.9
147.11688	0.8
149.09581	0.5
152.06245	0.7
153.06979	1.3
155.06053	1.1
156.05675	2.1
157.06502	8.7
157.10127	0.8
158.07251	1.8
158.99678	1.1
159.08058	22.1
159.11806	0.6
160.05173	0.8
161.05988	2.5
161.09628	5.9
163.11107	0.5
167.07045	1.1
167.08606	0.4
169.06445	1.1
169.07639	2.4
170.07262	5.7
171.04404	1.2
171.08055	4.9
171.11699	0.8
172.05214	2.2
173.05988	3.5
174.06766	2.2
175.07513	2.5
185.05952	0.7
185.09586	0.5
186.06740	0.6
187.07550	13.1
188.08267	0.6
189.05501	2.5
189.09126	7.6
189.16336	0.8
190.06218	0.7
191.07056	1.1
193.08673	0.7
198.06741	2.0
199.07552	2.6
200.08365	0.5
201.05482	1.2
203.07002	5.1
203.10748	0.8
204.07819	11.1
205.08624	1.5
206.09306	1.2
213.09218	0.5
213.16455	1.0
216.07877	3.3
217.08582	0.7
218.09428	0.8
219.10165	2.1
221.07935	0.7
221.11688	2.2
228.10172	0.5
228.60425	0.5
231.10167	6.1
231.13817	1.1
231.17416	0.9
234.08878	0.7
249.11224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03934	0.5
55.01881	0.6
55.05486	0.5
55.28370	0.4
56.03112	0.4
57.03440	0.8
69.03423	2.5
69.82633	2.2
79.05491	1.3
81.03468	0.7
81.07038	0.8
85.02904	1.7
91.05480	4.8
93.07030	1.5
93.64797	0.4
94.53860	0.5
95.04945	0.9
95.08587	0.5
97.02884	1.2
98.20839	0.9
103.05441	0.9
105.07043	3.5
107.04938	1.4
107.08592	0.8
107.09304	0.4
109.02834	0.5
109.06525	0.4
115.05461	3.9
116.06245	2.0
117.07019	2.5
119.08579	1.0
121.06483	0.7
123.08012	0.6
127.03876	1.5
128.06230	7.2
129.07008	15.6
130.07802	0.6
131.04922	1.8
131.08569	15.9
132.05685	0.7
133.06503	2.8
133.10123	1.3
135.04414	0.5
141.06995	7.0
141.08015	0.8
142.07774	3.0
143.04955	0.6
143.08575	2.7
144.05692	5.9
145.06477	4.2
145.10190	0.4
146.07271	3.2
147.04381	0.5
147.08031	0.7
152.06206	0.9
153.06981	1.4
155.06044	1.2
156.05687	1.7
156.59921	0.4
157.06487	7.1
158.07269	1.6
159.08061	21.1
159.11700	0.5
160.05196	1.0
160.08830	0.8
161.05991	2.5
161.09625	6.2
169.06438	1.4
169.07629	2.5
170.07269	5.8
171.04361	1.3
171.08049	5.4
171.11665	0.5
172.05283	2.8
173.05984	3.6
174.06766	1.6
175.07541	1.7
178.06287	1.0
184.05240	0.7
185.06029	0.9
186.06779	0.7
187.07545	13.4
188.08334	0.7
189.05482	2.2
189.09120	7.7
190.06303	0.7
191.07045	1.1
192.07793	0.6
193.08661	0.6
198.06783	1.8
199.07605	2.1
201.05487	1.8
203.07005	4.4
204.05894	0.5
204.07811	9.8
205.08638	1.9
206.09293	0.9
216.07846	3.6
217.08611	1.0
218.09367	1.6
219.10156	1.5
221.11674	2.5
231.10146	6.6
231.13783	0.8
234.08922	1.2
249.11226	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
50.34794	0.8
53.03934	1.0
55.01871	1.4
57.03417	1.2
61.12409	0.6
62.71605	0.7
67.05512	1.2
67.88258	0.8
69.03423	5.3
69.07062	1.0
69.77451	4.0
71.04987	1.5
73.73365	0.8
77.03938	0.8
79.05496	7.8
81.03410	3.2
81.07063	1.0
85.02917	4.3
87.00827	2.4
91.05493	6.1
93.07027	2.4
95.04959	2.5
97.02897	2.2
99.04438	2.2
103.05455	1.1
105.01856	1.0
105.07021	3.3
107.04958	10.7
107.08601	1.1
109.02878	1.3
115.05444	5.0
116.06226	2.2
117.07009	2.7
119.04977	3.5
119.08579	2.2
121.06482	0.7
121.22804	0.8
123.04373	1.3
127.03904	3.6
128.06247	8.7
129.07008	15.3
131.04929	1.7
131.08575	13.8
132.05676	1.0
133.06448	2.9
133.10135	2.5
135.04433	7.3
135.08067	1.3
141.06981	6.3
142.07782	4.4
143.08546	5.3
144.05688	6.0
145.06461	3.9
145.10115	1.2
146.07274	2.4
147.04411	2.0
147.08049	1.4
147.11673	0.9
149.09576	0.9
151.07532	0.8
152.06244	1.5
153.07011	2.0
155.06038	2.0
156.05742	1.3
157.06493	8.2
157.10153	1.2
158.07310	1.8
159.06682	1.1
159.08051	20.1
161.05995	2.3
161.09604	6.0
167.07065	0.8
167.08557	0.9
169.06422	1.4
169.07674	2.5
170.07288	5.5
171.04462	0.8
171.08057	7.3
172.05232	2.8
173.05974	2.6
174.06825	2.1
175.07555	2.6
175.11200	1.2
185.09663	3.1
187.07538	13.4
187.11153	1.0
188.08276	1.1
189.05431	3.1
189.09123	9.4
191.07115	0.9
198.06787	1.5
199.07607	1.4
201.05475	1.0
203.07004	3.8
203.10686	2.0
204.07867	8.3
205.08708	1.0
205.67000	0.8
213.09071	3.3
216.07858	1.9
218.09404	1.1
219.10201	1.6
221.11723	2.0
231.10188	7.6
249.11238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03946	5.2
55.01873	4.7
55.05497	2.1
57.03431	1.4
57.07081	1.0
59.05002	0.9
65.03938	1.5
67.05238	0.7
67.05514	7.6
69.03432	10.6
69.07071	6.3
69.93902	0.6
71.01366	1.4
71.04636	0.5
71.04992	4.8
71.09437	1.1
71.09761	0.7
73.02915	1.6
74.19082	0.7
77.03930	1.3
79.05495	35.6
81.03423	7.1
81.07064	6.3
83.04985	12.8
85.02906	8.4
85.06539	6.0
87.00829	4.4
91.05482	21.1
93.07053	8.2
95.04969	13.1
95.08576	2.4
97.02883	5.6
97.06533	10.2
99.04453	4.7
103.05480	5.6
105.01828	1.7
105.04519	2.8
105.07038	15.5
107.04958	32.1
107.08595	2.3
109.02889	3.2
109.06501	2.1
109.10166	0.8
111.04430	0.9
111.08043	0.7
113.05991	1.0
115.05462	5.7
116.06276	3.2
117.07029	5.0
119.04988	4.3
119.05737	0.9
119.08589	5.6
121.02833	0.9
121.06534	3.8
121.10134	1.8
123.04438	1.4
123.08045	0.9
124.00123	0.7
125.05994	12.8
127.03915	6.3
128.06216	13.9
129.07007	16.9
130.07774	1.8
131.04924	6.4
131.08565	17.7
132.05717	1.1
133.06499	6.0
133.10138	8.7
135.04416	8.7
135.08063	1.4
135.11661	0.9
137.05981	5.1
141.05431	0.7
141.06967	8.4
142.07768	6.3
143.04924	0.8
143.07088	3.6
143.08556	10.1
144.05717	7.3
145.05457	0.8
145.06474	6.0
145.10127	3.5
146.07234	2.2
147.04445	1.6
147.08060	3.5
149.05972	6.6
151.03899	7.4
151.05003	1.0
152.06180	0.8
153.06987	2.4
154.07811	0.8
155.06026	1.4
156.05731	1.6
157.06506	7.4
157.10126	5.1
158.07274	2.1
159.04448	1.0
159.08058	22.2
159.11700	1.1
160.05153	1.1
161.06053	3.3
161.09618	15.2
163.07573	1.2
167.05107	0.8
167.07271	0.7
167.08601	1.8
169.06367	0.9
169.07594	2.5
170.07280	6.2
171.04456	1.2
171.08054	10.2
172.05190	1.9
173.06010	4.7
174.06763	2.7
174.11551	1.0
175.07553	2.4
175.11183	0.9
175.14735	0.8
177.09103	1.8
178.06294	0.9
179.07031	0.9
179.10652	1.2
185.06056	0.9
185.09607	7.5
185.13200	1.4
187.07529	13.9
187.11200	1.2
188.08260	0.9
189.05453	2.0
189.09106	23.2
189.10744	1.4
189.12682	1.2
190.06244	1.0
193.08647	1.2
195.07997	0.9
198.06773	2.1
199.07535	2.5
201.05444	1.4
203.07013	5.5
203.10710	3.7
204.04274	1.1
204.07823	9.4
205.08569	1.2
206.09416	0.9
207.06636	1.2
207.10175	13.2
213.09088	4.5
213.12733	1.1
216.07811	2.6
218.09387	1.3
219.06630	1.7
219.10153	2.1
221.08063	1.1
221.11667	3.4
221.15244	1.0
231.06686	0.9
231.10176	8.9
231.13834	2.4
234.08868	1.1
249.11226	100.0
249.15334	4.6
267.12283	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
54.15001	0.4
57.47009	0.4
65.12001	0.4
67.05500	0.5
69.03406	0.7
70.04458	2.0
78.87888	0.4
78.90458	0.4
79.05477	0.5
91.05485	5.1
95.04953	0.5
98.21431	0.7
103.05485	0.6
105.07037	2.6
107.04958	1.4
115.05466	3.7
116.06245	2.1
117.07038	2.7
119.97720	0.4
121.06531	0.4
128.06235	6.3
129.07016	15.8
130.07802	0.9
131.04924	1.5
131.08577	15.1
132.05695	0.5
133.06491	2.2
133.10150	1.0
139.05351	0.6
141.06989	7.4
142.07803	3.1
143.04959	0.8
143.08563	2.8
144.05716	7.0
145.06520	4.5
146.03590	0.4
146.07285	3.0
147.04419	1.0
152.06244	0.4
153.06984	1.8
155.04918	0.6
155.06050	1.2
156.05719	1.9
157.06500	7.1
158.07272	1.8
158.50803	0.4
159.08066	21.8
160.05188	0.9
160.08820	0.5
161.05984	2.5
161.09621	5.6
167.07126	0.8
168.05852	0.5
169.06454	1.1
169.07703	2.9
170.07283	7.5
171.04449	1.2
171.08067	4.8
172.05212	3.9
173.05988	3.5
174.06776	2.8
175.07558	2.8
177.05415	0.6
178.06290	0.8
185.05959	1.0
186.06737	0.5
187.07561	14.2
188.08304	0.9
189.05479	2.1
189.09122	6.0
190.06183	1.1
193.08656	0.9
198.06776	1.9
199.07506	2.4
201.05464	1.3
203.07059	5.0
204.07846	10.2
205.08606	0.9
206.09409	1.1
213.08910	0.5
216.07854	3.4
217.08623	1.0
218.09383	1.1
219.10179	1.1
221.08038	1.0
221.11729	1.8
222.08182	0.4
231.10190	5.0
234.08897	1.0
249.11243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60808	0.5
53.03942	0.9
55.01864	1.6
56.83062	0.5
57.03437	0.9
59.05015	0.7
61.02914	0.6
67.05508	1.3
69.03433	6.1
69.07068	1.1
70.79955	0.9
70.80305	1.3
71.04992	1.6
73.02923	0.7
79.05515	2.8
81.03420	3.2
81.07043	1.1
85.02914	6.4
87.00828	3.5
91.05490	3.1
93.07036	1.3
95.04979	1.6
97.02897	2.4
97.06531	0.9
99.04433	1.7
103.05470	1.7
105.01901	0.9
105.07047	5.9
107.04963	2.9
107.08567	1.2
109.02859	2.3
115.05460	26.9
116.06254	0.9
117.07022	3.4
119.04222	0.6
119.04942	3.4
119.08584	0.8
121.06501	0.7
121.10149	0.6
127.03939	4.4
128.06241	1.1
129.07002	2.6
131.04897	2.8
131.08571	2.4
132.05742	1.7
133.06500	3.8
133.10106	1.2
135.04431	3.9
135.11679	1.5
137.05984	1.3
141.07021	1.1
142.07800	0.8
143.04926	53.5
143.08617	1.2
144.05719	1.9
145.05296	0.6
145.06493	3.9
146.03630	5.7
147.04431	5.6
147.08069	1.5
148.05226	0.8
149.06009	1.1
152.05676	1.7
153.12790	0.7
155.06111	0.9
157.06535	1.2
157.10149	1.4
159.08089	2.9
160.05208	16.2
161.05980	32.5
161.09624	1.6
171.04420	34.6
171.07991	1.2
173.06026	1.0
174.06808	1.0
175.03915	1.8
175.07552	52.5
177.05417	1.8
177.09160	0.6
179.07036	2.6
187.07567	2.5
188.04666	2.8
189.05464	14.7
189.09123	1.8
190.06274	1.0
199.03922	2.0
203.07039	100.0
204.07664	2.1
207.06561	1.7
207.10179	0.7
213.14749	0.8
217.04967	16.2
221.08057	5.7
221.11662	0.7
231.06577	2.6
231.10226	1.7
249.07588	74.3
249.11250	12.3
249.14998	1.6
250.08018	0.7
250.13069	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01646	0.6
51.91241	0.5
55.01868	1.2
56.31096	0.6
57.02802	0.5
57.03432	0.6
59.04989	0.9
65.50564	0.6
67.05502	1.0
69.03434	3.0
69.83720	2.0
69.84142	1.0
70.06615	0.5
71.04971	0.7
72.75687	0.6
79.05484	1.1
81.03405	2.2
81.07017	0.7
85.02901	4.2
86.09686	0.8
87.00826	1.4
87.04478	0.7
90.82119	0.6
91.05464	2.4
93.07072	0.9
95.05014	1.0
95.08636	0.7
97.02895	2.2
97.06537	0.6
98.05103	0.6
99.04458	0.8
103.05468	0.8
105.03365	0.7
105.07033	4.6
107.08604	0.6
108.80706	0.7
109.02889	0.7
115.05466	29.0
115.31880	0.5
116.06224	1.3
117.07024	4.0
117.39165	0.5
119.04943	2.5
119.08565	0.7
123.04407	0.9
125.05966	0.7
127.03951	3.4
128.06201	1.6
129.07024	3.1
131.04936	2.0
131.08583	3.5
132.05701	1.5
133.06519	3.2
133.10120	0.9
135.04414	1.4
136.06209	2.8
137.05960	1.2
141.07025	1.3
143.04938	55.5
143.08551	1.2
144.05713	2.5
145.04948	0.7
145.06496	3.9
146.03625	5.3
147.04395	6.6
147.08063	1.5
149.06029	0.8
150.07755	0.6
151.03926	0.6
155.06093	0.7
157.06467	1.6
157.10246	0.6
159.08040	3.0
160.05209	17.2
161.05988	31.1
161.09634	1.7
162.06822	0.8
170.07303	1.1
171.04425	31.9
171.08018	1.1
173.06021	1.8
174.06711	0.8
175.04179	1.1
175.07565	52.3
177.05489	1.5
177.09093	0.8
179.07071	3.2
187.07533	2.6
188.04651	2.8
189.05489	15.7
189.09097	2.1
190.06250	1.1
192.07770	1.2
199.03961	1.5
203.07043	100.0
204.07755	2.4
207.06541	1.6
207.10167	0.6
217.04973	15.8
218.05739	0.6
219.06599	0.9
219.10129	0.7
221.08102	6.8
231.06691	2.9
231.10265	1.8
249.07593	77.1
249.11266	17.0
249.15399	2.4
250.12959	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0759
Annotation	Tournefolin B
Peak:m/z	Relative Intensity
52.56278	0.7
55.01873	1.2
55.05490	1.0
57.03420	0.7
59.04980	1.2
61.11790	0.7
61.42489	0.7
63.36872	0.7
64.10313	0.6
67.05502	1.0
69.03428	4.0
69.98129	2.9
71.04971	0.9
73.02898	0.7
79.05502	1.3
81.03389	1.9
81.07059	1.2
85.02911	3.2
86.09666	0.9
91.05467	3.3
97.02896	1.7
97.06521	1.0
98.20879	1.0
99.04459	1.3
103.05474	1.1
105.07052	4.7
107.05000	0.8
115.05460	28.0
115.06276	1.4
117.07013	3.7
119.04935	2.6
119.08579	1.4
123.04456	0.8
127.03932	3.2
128.06265	2.0
129.07037	3.6
131.04947	1.6
131.08559	2.9
132.05714	1.4
133.06483	3.4
133.10187	0.7
135.04381	1.2
136.06158	4.7
141.06981	1.9
142.07716	0.8
143.04926	54.4
144.05692	2.0
145.06471	4.0
146.03630	5.3
147.04410	6.2
147.08032	2.1
148.96274	0.8
149.05960	0.9
155.06056	1.6
157.06458	1.8
159.08020	3.0
160.05203	15.5
161.05980	34.1
161.09624	1.7
170.07281	2.0
171.04417	34.9
171.07985	1.1
172.05136	1.0
173.05969	1.5
174.06758	1.4
175.07547	49.1
179.07050	2.6
187.07565	3.3
188.04668	3.5
189.05476	14.9
189.09128	1.8
190.06355	0.9
199.03873	1.4
203.07033	100.0
204.07785	2.4
205.08583	1.1
207.06485	1.6
217.04961	14.5
219.13814	1.1
221.08130	5.1
222.32600	0.7
231.06537	2.4
231.10117	1.6
231.13873	0.9
249.07584	79.1
249.11241	18.0
249.15132	2.4
250.13017	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	249.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03706	0.9
53.03938	1.7
54.22612	0.7
55.01873	4.4
55.05515	4.9
56.45984	0.7
56.96568	41.0
57.03236	0.7
57.03442	7.9
57.07070	0.8
59.04998	2.3
61.02937	10.8
64.70978	0.8
66.62300	0.9
67.05493	2.2
69.03073	1.2
69.03432	17.1
69.07082	1.3
69.38006	6.0
70.06597	6.2
70.98119	4.8
71.01340	0.8
71.04983	3.2
71.95250	1.7
72.08140	2.0
73.02921	13.6
73.06565	4.4
74.06085	2.7
74.97603	3.3
79.05476	2.2
81.03414	5.9
81.07043	3.1
82.06580	1.1
83.04999	1.0
84.04510	4.3
84.08153	4.4
84.96027	4.8
85.02911	30.9
85.06567	0.9
86.03247	1.0
86.06090	0.9
86.09713	1.0
86.97607	1.8
87.04459	4.5
88.99153	3.6
89.00829	0.8
91.03941	1.5
91.05489	2.6
94.06570	0.9
95.00778	0.9
95.04971	2.8
95.08562	1.2
95.52335	2.4
96.01551	1.2
97.02898	20.1
97.06519	0.8
98.01302	0.9
98.06033	2.3
98.97591	100.0
99.04433	4.2
99.08074	1.3
100.07613	1.2
100.99150	4.1
101.00854	8.5
101.02391	1.1
102.05537	1.7
102.96864	2.0
103.00658	1.0
103.02357	1.0
103.03910	0.8
104.52854	1.5
105.02088	1.0
105.03381	1.7
107.01863	0.9
107.02592	0.8
109.02872	3.7
110.01260	3.3
110.07167	2.9
110.97577	13.3
111.04460	1.1
112.99152	5.2
113.00894	1.3
113.02338	1.4
115.00703	1.6
115.03943	0.9
116.07089	11.8
116.98630	33.0
117.02038	0.9
117.03858	1.2
118.01033	1.2
119.00183	2.3
119.01904	12.2
119.04958	1.5
120.06584	2.4
121.01688	1.3
122.52864	1.3
123.01989	1.2
124.07544	1.2
124.99128	5.2
125.06004	1.1
127.00670	1.5
127.03921	9.0
128.02301	7.1
128.98607	12.4
129.00137	1.0
130.05006	1.9
130.06517	3.0
131.00208	5.1
131.01892	3.7
131.53392	1.6
132.00816	1.3
132.04454	1.3
132.95872	1.1
132.98051	2.6
133.01659	1.1
133.03508	1.2
134.99675	9.7
136.06184	1.5
136.99107	1.0
137.02853	2.0
137.05995	1.8
137.53348	1.8
138.05319	0.9
140.00209	1.1
140.02306	1.6
140.07051	0.9
140.98616	2.1
143.00180	10.5
143.01820	5.2
143.04895	0.9
144.00774	0.9
144.98056	2.2
145.01683	2.6
145.03452	2.4
145.04967	4.9
146.02283	1.3
146.04137	2.4
146.08136	1.8
146.99651	8.8
147.03206	3.7
147.04463	2.6
147.05862	1.1
149.01234	3.5
149.02818	0.8
150.99146	2.7
153.00800	1.0
153.06612	2.4
154.01782	3.6
154.03893	1.1
154.96471	1.0
155.00153	1.2
155.01866	1.2
155.04668	26.3
155.54848	1.0
156.98083	2.1
157.01637	0.9
157.03505	1.3
157.07605	1.1
158.06033	2.9
158.53903	4.4
158.99669	28.7
159.01079	1.4
159.05806	2.6
159.07942	0.9
159.09174	1.8
160.00005	0.9
160.03870	1.1
161.01285	9.6
161.02870	6.9
161.04721	1.3
162.01808	1.2
162.03621	4.3
162.99146	2.0
163.02759	3.5
164.05199	5.4
165.00708	5.8
165.04338	0.9
166.55435	2.0
167.54434	18.7
168.01759	2.6
168.03590	6.3
168.05505	8.4
168.55609	0.9
169.04529	1.5
170.08138	1.2
170.99664	5.0
171.01196	1.0
171.02985	1.0
172.02840	8.8
173.01239	2.7
173.02934	3.8
173.54460	0.9
174.99258	4.1
175.02634	2.4
175.04205	1.1
175.08672	2.6
176.54938	4.4
177.00716	23.0
177.02365	5.6
177.04143	3.0
177.05995	7.1
179.02332	1.1
182.03343	3.3
183.01721	1.3
183.06795	1.1
184.03171	0.9
184.97557	1.2
185.01227	1.6
185.07191	1.2
186.99161	1.6
187.02748	1.9
187.04492	2.1
187.10745	3.2
188.07089	1.1
189.00714	14.1
189.02438	5.6
189.04301	4.0
190.03819	3.7
190.55099	3.2
190.98729	1.9
191.02289	1.9
191.03915	7.3
191.05638	1.8
193.00305	1.6
193.04416	2.5
195.01695	1.2
197.03906	1.3
200.04474	1.7
201.00699	3.6
202.04874	2.4
202.98608	2.0
203.02209	2.6
203.04073	2.1
203.08058	1.2
204.04585	1.5
205.00179	2.5
205.03638	1.4
205.05458	2.0
206.02577	6.3
206.04309	1.2
207.00040	1.3
207.01830	15.0
207.03604	1.0
207.05170	4.3
208.04941	3.3
213.00693	0.9
214.03885	1.9
217.05525	2.4
218.56010	1.5
219.01726	6.7
219.05219	3.5
219.58168	0.9
221.03314	0.9
221.05310	1.2
223.01245	1.4
225.02783	3.7
226.03801	1.7
226.05757	1.6
228.05716	1.8
228.56126	1.1
231.01645	1.0
231.05350	1.2
231.07315	1.0
232.04933	2.5
237.02835	3.6
239.56503	4.9
240.05534	4.9
244.04684	1.2
248.57146	4.2
248.99213	5.1
249.02692	1.7
249.06429	12.5
249.08554	1.4
255.04050	1.0
261.02768	1.3
267.00244	7.6
267.03842	1.9
267.09073	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1648
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
53.36002	0.1
57.07068	0.5
62.91914	0.2
68.45145	0.1
69.91123	0.2
69.91545	0.5
79.05499	0.2
81.03397	0.2
81.07044	0.3
91.05485	0.2
93.07048	0.3
95.08590	0.2
98.97594	0.3
100.64339	0.2
105.07047	0.3
117.05752	0.2
118.06554	4.5
118.07355	0.3
119.07314	0.3
120.08085	0.5
131.08635	0.2
132.08093	1.9
133.08890	0.6
134.09651	0.7
137.98528	0.2
144.08101	0.3
146.09648	1.8
148.88773	0.2
150.07809	0.2
158.09737	0.2
160.11215	0.6
168.59270	0.2
174.12796	1.0
176.14363	11.5
190.08640	10.7
192.03801	0.2
202.09071	0.2
202.15910	1.8
203.16670	0.9
204.10204	5.7
205.10985	1.5
206.11855	0.3
211.25589	0.2
218.11771	4.5
230.11038	0.2
235.15633	0.2
248.16473	100.0
249.16821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39594	5.5
61.35994	4.9
70.80677	7.1
70.80994	9.1
72.27970	5.0
87.26205	4.9
98.97587	10.6
110.34898	5.0
116.07061	8.8
123.89119	5.3
138.00418	4.7
144.25684	4.9
165.30618	5.8
248.41385	6.1
249.03700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45858	0.6
53.03938	1.0
55.01861	1.7
55.05514	1.2
56.96568	33.4
57.03443	3.0
59.04992	1.7
60.95853	0.8
61.02930	5.4
65.04691	0.6
67.05514	1.4
69.03130	0.7
69.03439	8.3
69.07056	0.7
70.06596	2.2
70.83853	1.6
70.98114	1.8
71.01335	0.7
71.04998	1.3
71.95258	2.3
72.08154	2.3
72.96041	2.0
73.02924	4.5
74.06084	0.8
74.97616	1.2
79.05511	1.5
81.03424	2.1
81.07053	0.8
82.06583	2.2
83.04991	1.0
83.97636	1.1
84.04509	1.9
84.08153	5.8
84.96035	2.0
85.02908	14.2
86.09714	6.4
87.04457	1.9
91.03967	0.9
94.06564	1.0
95.60799	0.7
97.01458	0.8
97.02898	8.4
97.06541	0.9
98.06049	1.4
98.97589	100.0
99.02978	0.7
99.04456	1.7
99.97912	0.9
100.07629	4.9
101.00887	2.7
102.00992	1.9
102.96889	2.8
105.03386	1.3
109.02901	2.0
110.97571	3.6
112.07549	0.8
112.99126	0.7
113.98658	0.7
115.00653	1.0
115.02409	1.0
115.25077	0.7
116.00205	2.2
116.07121	1.4
116.98627	35.2
117.03998	1.1
119.01908	3.0
120.02013	1.1
120.03465	0.6
122.06008	0.9
124.00801	0.7
124.99137	0.7
125.06044	0.7
126.02316	1.2
127.00674	0.7
127.02435	1.0
127.03931	5.7
128.98618	2.8
129.10236	1.8
130.04982	0.9
130.08665	1.6
131.00177	1.1
131.01897	1.9
132.10136	0.8
132.98041	0.7
133.01633	1.1
134.01245	1.1
134.99660	8.4
137.00819	0.9
140.02901	0.7
140.03822	3.3
142.05429	2.5
143.00136	1.4
143.01889	3.2
144.02023	0.6
144.03304	0.7
145.03381	3.5
145.04979	2.1
146.08162	1.6
146.99602	1.4
150.05519	1.3
153.02315	0.8
154.03809	1.4
155.01878	1.3
157.03560	1.1
158.04904	2.7
158.08054	0.8
158.99683	3.5
159.04918	2.6
160.02850	0.8
160.06433	4.1
161.01242	0.8
161.02982	2.1
161.04692	0.8
162.99062	0.9
163.02534	0.7
163.04442	1.2
167.54372	1.4
168.05472	2.1
169.03450	2.0
170.04909	3.4
171.03267	3.7
171.05170	0.6
172.02835	1.2
173.02893	1.1
175.03439	1.9
177.00697	2.0
177.02275	1.1
179.01941	0.7
181.04503	1.2
182.99690	0.7
183.05144	0.8
185.02965	1.7
187.02956	1.4
187.04536	5.3
188.00977	0.9
188.05977	2.6
189.00688	1.8
189.04364	12.0
189.06032	1.0
190.04955	10.6
192.03978	0.8
196.04048	2.0
201.00623	1.0
202.07425	1.3
203.04022	1.2
203.05798	0.9
205.04404	3.1
206.07042	9.9
207.01857	0.9
207.05350	3.7
212.05975	1.3
213.02533	1.8
216.00645	1.2
217.05620	0.7
219.01689	0.9
219.03537	1.1
224.08066	7.5
225.02570	0.9
225.05069	1.2
227.06708	0.8
229.05510	1.8
230.07001	43.7
231.05406	2.5
239.56432	1.0
245.05113	2.5
247.64540	0.7
248.08084	56.9
248.16075	1.2
257.05185	0.8
259.03018	1.0
266.05368	1.0
266.09122	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	247.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.2
55.01876	11.2
55.05502	22.3
57.03428	11.2
57.07048	6.8
57.30367	4.6
59.04993	4.8
63.60954	5.4
67.05227	4.3
67.05511	48.0
69.03420	16.2
69.07071	32.9
69.85127	28.1
71.04994	60.5
72.08151	5.5
72.55370	4.5
79.05486	29.7
81.03395	15.1
81.06587	6.8
81.07059	91.1
83.04959	15.5
83.08632	24.9
85.02883	8.7
85.06540	15.3
86.09689	7.3
86.19221	4.9
87.04462	14.7
91.05495	44.6
93.07051	54.2
95.01272	6.9
95.08051	8.5
95.08611	100.0
97.02905	9.4
97.06515	15.1
97.10168	8.3
98.21407	6.0
99.04435	5.7
99.08102	5.8
101.05992	12.1
105.07030	81.1
107.04965	7.4
107.08602	47.2
109.02878	11.3
109.06503	11.3
109.10146	41.4
111.04429	10.2
111.08112	12.0
115.05449	9.0
115.07555	13.9
117.07019	11.8
119.08582	99.0
120.08087	6.7
121.10129	25.6
123.08093	10.8
123.11704	15.7
127.03896	22.8
129.05475	18.4
129.06996	13.5
131.08548	17.8
133.10132	77.6
135.11708	21.2
137.05975	10.4
137.09616	11.6
137.13235	10.5
142.36461	4.6
143.08521	5.3
143.86290	4.8
145.10153	10.4
147.07982	8.5
147.11702	38.1
149.13257	10.7
151.11172	16.4
159.08040	7.0
163.14832	21.9
169.12303	25.4
175.07523	10.1
175.11215	7.0
175.14838	97.0
177.05469	6.8
187.07555	6.1
193.12202	14.8
193.15891	40.5
199.16963	7.8
201.09090	7.6
211.13290	13.3
211.16904	25.9
215.30449	5.2
229.08597	14.6
229.14345	14.3
247.05980	11.2
247.09792	17.4
247.14311	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	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03933	3.7
55.05512	8.7
57.03434	1.3
57.07067	2.7
59.05005	1.7
62.62384	0.8
63.75890	1.1
63.99622	0.9
65.03924	3.1
67.05505	24.8
69.03429	13.9
69.07063	10.8
69.36821	7.3
70.77803	0.9
71.05003	4.5
79.05067	1.2
79.05495	15.6
81.07057	48.1
83.04978	6.6
83.08604	3.1
85.02904	1.7
85.06518	2.7
91.05482	18.6
93.07047	28.9
95.04971	14.8
95.08609	30.1
97.02889	1.4
97.06512	5.1
97.10172	2.2
99.04443	2.3
99.08012	1.0
101.05984	1.1
103.05453	1.3
105.07035	45.3
107.04913	1.2
107.08595	29.8
109.02895	5.2
109.06518	10.9
109.10155	23.8
111.04400	2.7
111.08079	2.5
115.05428	1.6
117.07001	7.7
119.08575	38.1
121.06527	11.4
121.10146	16.5
123.04432	3.1
123.08053	3.4
123.11689	8.4
125.05991	2.0
125.09581	1.5
129.06995	5.0
130.07774	3.0
131.08582	20.0
133.06511	1.8
133.10124	21.8
135.08049	11.8
135.11679	8.0
137.05991	12.3
137.09602	7.1
139.07582	1.7
141.07022	1.4
142.07808	1.9
143.08575	5.9
144.09315	3.6
145.06482	2.5
145.10117	29.9
147.08046	3.7
147.11694	17.7
149.09599	6.3
149.13254	5.7
151.07549	2.5
151.11130	2.6
153.09015	1.7
154.07901	1.1
155.08545	4.2
157.10146	4.8
158.10898	3.2
159.08081	6.5
159.11691	25.8
161.09624	3.2
161.13257	5.8
163.07532	5.1
163.11201	5.4
163.14769	2.3
165.09087	1.2
167.10648	2.0
168.09334	1.7
169.10107	9.5
170.10872	1.1
171.08043	1.4
171.11665	3.4
172.08807	2.7
173.09630	8.6
173.13261	12.6
175.11130	1.4
175.14864	4.6
177.09108	2.5
177.12692	1.9
177.16359	2.3
181.10085	1.1
183.11710	2.8
185.13268	10.0
186.10402	3.4
187.07529	1.0
187.11203	22.3
187.14816	42.7
189.08990	1.1
189.12785	1.3
189.16423	1.1
191.07030	4.3
191.10701	4.4
191.17906	3.3
196.12495	1.9
201.12767	13.0
201.16391	29.0
203.14294	4.9
205.12253	1.8
205.15909	1.2
211.11313	2.2
211.14816	13.9
219.13818	2.3
219.17366	5.6
229.12283	11.6
229.15852	22.2
247.13272	11.5
247.16931	100.0
247.24031	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	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	3.8
57.03426	0.7
61.02919	2.9
69.03428	1.1
69.72530	4.1
70.98106	1.1
70.99876	0.8
72.08160	6.9
74.32778	0.7
82.06570	2.5
82.99841	3.7
84.04497	1.8
84.95988	0.9
85.02919	2.5
86.09692	3.0
98.06776	0.7
98.20924	1.9
98.21500	1.0
98.97598	4.5
100.07623	3.8
101.00885	33.0
101.07932	1.0
103.00649	2.8
103.02473	1.0
105.03372	1.5
113.00876	2.9
115.00642	0.9
115.02437	2.9
115.15005	0.7
116.98627	1.4
117.10288	1.0
118.08663	1.6
119.01922	38.3
121.01631	3.8
126.98794	1.8
127.02419	1.3
127.03925	1.0
128.98639	0.8
129.04012	1.0
131.01915	6.5
132.10159	0.8
133.03403	4.7
137.02943	3.3
143.01930	4.2
144.98055	0.8
144.99832	2.9
145.01646	1.3
145.03499	2.2
147.03258	1.2
147.05025	0.9
148.06033	1.6
155.01988	0.8
157.01689	1.2
157.03497	2.0
158.99678	0.9
159.03166	1.0
161.02972	5.5
162.99138	0.7
163.02736	2.3
167.03189	1.6
168.99826	9.2
171.01570	0.9
172.99396	1.1
173.02936	3.8
175.02744	1.5
175.04597	0.9
177.02551	1.0
185.02948	1.1
186.99278	1.5
187.00919	12.9
187.02641	3.1
187.04428	1.3
191.04012	1.4
196.99312	8.3
199.02710	1.3
201.00854	1.2
201.02318	3.5
201.12332	1.2
205.00233	1.8
205.01952	2.9
205.03728	1.4
215.00371	24.7
219.03525	1.7
223.01262	1.1
224.04053	1.4
229.03317	23.3
229.07181	0.9
231.57669	0.8
233.01379	1.4
247.04312	100.0
247.12967	2.1
247.18510	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	247.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
53.42999	0.4
55.01865	0.9
55.05514	1.8
56.05043	0.7
56.96567	100.0
57.03440	2.5
59.05005	0.7
60.04541	0.4
61.02932	2.6
61.98624	0.5
67.05505	1.7
69.03434	4.0
69.07068	3.6
70.06600	1.4
70.31560	0.6
70.31886	1.0
70.98126	25.5
71.04996	1.8
71.95262	1.4
72.08157	8.5
73.02927	2.2
73.06582	0.5
74.97608	3.9
79.05080	0.6
79.05496	2.7
79.05945	0.3
79.06105	0.4
81.03439	1.8
81.07063	3.1
82.06580	0.9
83.00761	0.5
83.04995	0.8
84.04507	5.0
84.08141	4.5
84.96040	7.4
85.02899	6.2
85.06552	0.8
86.09715	3.6
86.97601	3.4
87.04473	1.2
88.04005	1.5
88.99162	7.7
91.03959	0.5
93.07023	0.7
95.04987	2.3
97.02890	4.8
97.06541	2.6
97.08427	0.4
97.99193	0.8
98.21049	1.1
98.97588	27.7
99.04449	1.0
99.97889	0.7
100.07621	3.9
100.99149	10.0
101.00862	1.4
101.07946	1.1
102.05570	1.6
102.97000	0.5
103.03985	0.6
105.03398	0.8
107.00201	1.4
108.96027	0.6
109.02876	1.6
110.01251	0.6
110.02400	0.5
110.97566	12.3
111.04457	5.0
112.07610	1.6
112.95518	4.1
112.99151	0.7
113.06047	0.9
115.00705	2.3
115.07568	1.7
116.07090	0.6
116.98631	8.9
118.08644	4.6
119.00174	3.8
119.01881	2.0
119.08617	0.6
121.01686	0.5
123.04427	0.8
124.46097	0.4
124.99167	0.8
125.06008	3.3
126.97057	3.7
127.00668	1.4
127.03925	1.5
128.02321	1.2
128.98608	13.5
130.04997	1.2
130.08690	3.4
130.12331	0.6
130.96526	4.0
131.00180	1.3
131.01900	0.8
132.10211	1.1
133.01711	6.0
134.99683	2.7
137.02745	0.9
137.05920	0.5
138.96999	0.8
140.98601	0.9
141.02231	0.9
141.05414	0.6
143.00194	3.3
143.01909	1.2
144.98100	42.1
145.01712	2.3
145.03537	0.7
145.04936	1.0
146.06013	1.5
146.08128	1.5
146.99664	8.6
147.03328	0.7
148.97594	3.0
150.99194	0.6
151.02774	0.9
151.06007	0.6
155.00177	1.1
155.01859	0.6
155.04663	1.8
156.03297	1.1
156.10118	0.6
156.98116	2.6
157.01756	0.6
157.03592	0.9
157.10637	0.7
158.06088	0.9
158.99661	6.2
159.03279	1.8
159.04939	1.7
159.06711	1.4
160.06519	0.7
160.07649	0.7
161.01242	3.9
161.02946	1.2
162.99153	29.7
163.02780	1.3
163.03944	0.6
164.05092	0.8
165.00722	2.9
168.03299	0.6
168.05402	2.6
169.04524	1.2
170.99680	1.3
172.97563	0.7
173.01260	0.9
173.02922	0.6
174.09158	6.6
174.99141	2.2
175.02737	1.5
175.04469	1.7
176.05167	0.5
177.00714	4.0
177.04347	0.7
179.02271	1.0
180.03531	0.8
181.00223	5.3
181.04411	3.6
182.06097	2.0
182.99713	2.4
184.07565	0.8
184.09706	1.4
184.16859	0.6
186.00775	0.6
186.04416	1.0
186.99147	6.7
187.02766	2.7
187.04581	1.7
189.00790	0.9
189.02559	0.8
189.04143	6.4
189.05838	0.9
190.04930	12.1
190.55110	0.7
190.98642	1.0
191.03940	0.6
199.05490	1.2
201.00722	3.8
201.02457	1.0
201.06364	0.5
201.10330	0.6
201.12450	0.9
202.10767	0.6
203.02368	0.8
203.03960	0.8
203.11107	1.6
205.00211	61.7
205.03847	2.3
208.99731	0.8
217.05443	0.8
219.01715	4.3
221.05121	0.7
223.01260	62.7
224.02078	0.7
228.01649	1.0
229.05661	1.1
230.10225	0.7
232.99738	1.6
237.02766	3.1
238.07846	1.0
241.02342	5.1
246.02892	1.6
247.01257	6.1
247.04652	2.2
247.06630	1.8
247.10768	1.9
247.13091	2.7
247.18143	1.1
247.20532	2.3
251.00691	0.7
265.02328	2.3
265.05734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.05500	1.1
57.03420	0.3
67.05492	0.4
68.05012	0.4
69.03413	0.3
69.07081	0.3
70.06595	15.7
71.55007	0.4
72.08153	0.6
73.06591	0.3
79.05487	0.5
81.05769	0.4
81.07047	0.5
83.04961	0.4
84.04502	0.4
84.05318	0.4
84.08135	0.6
85.02941	1.3
86.09711	1.1
86.99065	0.3
87.04470	0.3
87.10040	0.3
88.04001	0.3
96.08123	1.7
97.02847	0.3
97.06504	0.4
98.06014	0.3
100.07601	0.7
112.07586	1.1
112.62105	0.3
114.05520	0.4
120.08100	0.6
124.07594	6.9
124.11234	12.2
125.25713	0.3
128.07079	0.4
130.08652	2.5
142.12267	0.4
156.04167	0.6
157.04518	0.6
163.03925	0.5
168.06090	0.3
170.11769	100.0
171.12173	0.3
172.05103	0.5
172.06828	0.7
175.08669	0.3
200.07074	0.6
200.12737	0.5
201.06607	0.4
214.14415	1.2
218.05664	0.4
228.12279	0.4
246.05087	1.3
246.08020	0.9
246.13252	1.6
246.17026	1.3
247.06998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.2
57.06827	0.7
57.07078	10.0
58.51275	0.5
67.05504	4.7
69.07056	1.1
70.02945	1.9
70.06579	0.7
70.99914	1.5
71.08628	1.2
74.02441	26.4
84.08107	0.8
85.10184	17.4
87.08109	22.2
88.03994	36.7
93.07030	2.1
95.08610	53.7
102.05550	2.8
105.07057	0.6
109.01867	0.6
109.97066	0.5
113.09647	19.3
116.02668	1.2
116.03460	19.1
116.07097	0.8
134.04491	100.0
142.08644	1.3
142.12245	3.0
145.09993	0.5
156.10242	1.4
160.09685	5.2
182.11790	2.1
193.12256	1.3
210.11288	2.4
211.13364	1.4
214.14336	1.2
228.12355	2.3
246.13391	2.2
246.16855	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	246.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49042	0.6
52.49286	0.6
55.05463	6.9
56.96535	0.8
69.66705	3.6
72.04478	1.8
79.05440	1.2
81.07011	1.2
82.06538	2.7
83.08633	6.9
86.24688	0.7
98.09696	4.7
98.21483	1.4
98.97530	1.3
107.08545	2.2
124.11231	10.9
140.10619	0.9
142.12280	89.7
158.08344	0.7
160.59761	0.7
166.01816	1.2
168.10149	1.0
174.10425	2.3
182.11780	76.4
183.10857	1.2
184.02893	1.0
184.11621	0.7
187.09935	1.5
192.12265	1.0
201.12700	1.8
205.62735	2.3
210.11259	100.0
214.63335	4.0
215.64163	0.8
215.72029	0.8
219.13319	3.4
223.63881	2.4
228.12183	4.1
228.14069	16.7
228.63950	1.3
237.14355	30.2
237.64427	2.4
246.14934	85.2
246.65102	5.8
257.65640	0.8
264.13834	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.1
55.01873	3.4
55.05517	79.7
56.96548	1.3
57.03445	6.5
59.05001	10.7
61.02932	6.5
62.47424	1.0
67.05505	7.9
69.03436	39.9
69.07074	12.6
69.53385	2.8
69.53801	4.9
71.04994	7.2
73.02892	1.5
79.05494	8.5
80.05032	1.1
81.03423	20.4
81.07056	8.6
83.04988	100.0
83.08595	1.7
85.02911	34.8
85.06563	5.6
85.38088	1.2
86.09714	90.6
87.04475	2.6
89.63764	1.0
91.05482	7.2
92.11073	1.1
93.07052	8.6
95.01349	1.2
95.04972	5.0
95.08620	5.6
97.02901	36.2
97.06526	4.7
97.10149	1.2
98.97591	5.2
99.04466	9.7
99.08105	1.1
101.06023	13.4
103.03944	1.8
105.05508	2.8
105.07025	4.9
107.04946	2.9
107.08610	9.2
109.02885	16.8
109.06504	3.9
109.10142	5.3
111.04431	4.9
115.03933	1.3
115.05477	1.4
116.98608	2.7
117.06998	4.2
119.08569	3.5
121.06478	1.3
121.10164	12.6
123.11707	3.6
125.05987	3.7
125.09636	2.9
127.03931	25.9
127.11197	2.2
128.06215	2.1
128.10742	1.2
129.06996	5.0
130.06531	19.8
131.08568	4.7
132.04459	3.6
132.10284	1.6
133.10126	4.2
135.08025	2.0
135.11697	2.6
139.11191	1.4
141.09096	1.2
142.03223	3.7
143.08571	1.8
145.04953	10.0
145.06503	1.3
145.10112	5.0
147.07997	1.3
147.11620	3.4
149.05998	1.7
149.09633	4.8
149.13245	3.6
151.11151	2.8
155.08563	1.9
157.06564	2.4
157.07634	37.6
158.06033	20.0
163.11241	2.3
163.14828	2.9
165.12746	2.1
167.10699	2.8
171.03235	2.4
172.97661	1.2
173.09624	2.6
173.13268	3.5
174.06812	1.8
175.07373	2.5
175.08667	6.6
181.12209	3.2
184.05107	1.9
185.05966	1.8
185.11723	1.6
189.04359	1.8
189.09131	2.3
191.10689	8.9
191.14299	4.4
199.08778	11.5
203.08205	3.3
209.08136	2.3
209.11674	3.2
209.15404	10.8
217.05141	1.5
217.06914	1.9
217.08679	2.3
224.09692	1.2
227.07089	2.1
227.09117	5.1
227.12759	5.2
227.16307	5.5
245.04387	2.5
245.07957	12.2
245.13223	3.4
245.18723	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	245.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98903	2.3
53.03933	9.6
55.01864	7.6
55.05512	97.7
57.03421	9.5
59.04993	11.0
59.52797	2.6
61.02920	6.5
67.05504	14.1
69.03432	41.2
69.07066	20.3
70.17163	10.5
71.04980	10.6
78.24753	2.7
79.05482	11.1
81.03424	25.7
81.07058	23.0
83.04981	100.0
83.08636	3.1
85.02904	32.8
85.06554	8.3
86.09707	91.3
91.05457	11.3
93.07047	14.9
95.01307	3.7
95.04979	5.5
95.08594	14.9
97.02889	39.1
97.06516	10.3
98.97571	3.8
99.04433	8.1
99.08115	5.5
101.06011	30.9
102.59521	2.7
104.41219	2.5
105.05505	6.8
105.07023	10.9
107.04959	5.7
107.08616	28.4
109.02900	20.3
109.06515	8.5
109.10159	14.8
109.91355	2.6
109.92146	2.3
111.04464	4.6
111.08109	5.5
111.21453	2.8
113.05889	2.4
115.05503	3.3
117.07009	4.6
119.08583	10.2
121.06516	4.6
121.10147	27.7
123.08064	4.8
123.11703	6.5
125.06052	3.0
125.09609	5.5
127.03922	23.0
127.11228	2.9
128.06216	6.2
129.06981	13.2
131.08548	12.4
133.10127	9.9
135.08060	5.3
135.11658	6.1
137.09619	7.6
139.11212	3.1
142.03204	9.8
143.04808	2.6
143.08641	4.1
145.04935	8.4
145.10138	9.2
147.11688	10.0
149.05907	3.4
149.09616	8.2
149.13264	9.0
151.11157	7.7
153.07080	3.1
153.09070	4.2
155.08485	3.0
157.06479	10.0
157.07642	3.2
160.05064	2.8
161.05951	2.6
163.11198	5.4
163.14818	7.5
165.12775	5.5
167.10657	3.0
173.09651	8.7
173.13245	12.7
174.06779	7.5
175.07568	9.4
181.12309	5.9
185.06009	5.8
185.11757	4.4
189.09027	4.7
191.07111	2.7
191.10678	13.1
191.14305	16.5
199.07588	2.9
203.06989	6.5
209.15359	31.4
213.05557	3.5
217.06839	4.0
217.08609	8.9
224.09361	3.3
227.07054	7.2
227.09134	8.3
227.12303	4.6
227.16469	14.7
245.04297	6.0
245.08052	46.4
245.12949	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	245.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04313	0.5
53.03942	4.9
54.51008	0.5
55.01867	1.8
55.05511	40.9
55.77450	0.6
56.96562	0.9
57.03432	3.0
59.05006	6.3
61.02921	2.6
67.05508	2.3
67.61848	0.7
69.03432	19.1
69.07070	10.8
70.06599	0.8
71.01344	0.8
71.04993	3.1
71.55414	1.0
73.02913	1.3
79.05504	2.1
80.05032	0.7
81.03421	10.3
81.07076	3.2
83.04982	50.2
83.08656	0.9
84.08150	2.2
84.56533	0.6
85.02908	17.9
85.06537	1.2
86.09705	100.0
87.04474	0.9
88.04006	0.6
91.05477	5.7
93.07063	3.1
95.04961	2.3
95.08613	2.4
97.02895	17.6
97.03516	1.0
97.06541	1.5
98.97595	2.9
99.04447	3.9
101.06003	5.3
103.05479	0.7
105.05519	0.7
105.07026	1.1
107.04919	1.4
107.08590	2.6
109.02894	7.9
109.06507	1.4
109.10204	2.0
111.04456	2.0
112.70625	0.6
113.06028	0.8
115.03992	0.7
115.05431	1.0
116.98593	1.0
117.07066	0.8
119.08583	1.7
121.06521	0.8
121.10159	3.7
123.11683	1.0
125.06002	2.2
125.09644	0.6
126.90874	0.6
127.03928	12.4
128.06238	1.5
129.07019	1.4
129.10252	1.2
130.06538	9.7
130.08644	0.9
131.08557	1.4
132.04480	1.7
132.10196	2.0
133.10139	1.0
135.08076	1.0
137.06041	1.1
142.03223	2.5
143.08606	0.7
145.04950	4.4
145.06511	1.3
145.10156	1.0
147.11674	1.0
149.09647	1.4
149.13225	0.7
149.96146	0.8
151.11217	1.0
155.08543	1.4
157.06483	1.3
157.07611	19.5
158.06021	11.0
161.06013	1.0
163.07545	1.3
163.11215	0.8
166.09991	0.7
167.07042	0.9
170.02843	0.7
171.03238	1.7
173.13307	0.8
174.06683	0.6
175.07465	0.8
175.08708	3.7
175.82021	0.6
179.14233	0.9
184.05113	0.7
185.05997	1.2
189.09114	1.2
191.10718	2.6
191.14310	1.7
199.08791	5.1
199.18082	0.7
203.08229	1.8
209.11812	0.7
209.15332	2.9
211.26982	0.5
217.08661	2.0
224.09903	1.1
225.21172	0.7
227.07101	1.1
227.09074	3.8
227.12703	1.3
227.16495	1.5
245.08282	6.7
245.13309	2.4
245.18665	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	245.006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	35.0
58.83546	10.3
67.54535	9.8
69.03420	14.2
69.54963	56.1
70.06582	34.6
72.08142	25.8
82.06580	21.4
82.16820	11.9
85.02895	34.2
86.06087	13.0
98.20815	13.3
98.97568	33.9
100.07617	94.4
101.00885	67.3
112.05111	24.4
113.03531	13.4
113.05455	11.8
119.01899	39.6
143.00156	17.9
143.01877	27.9
155.01921	29.1
157.03441	26.5
161.02989	46.9
173.03009	26.7
179.02014	11.6
185.02963	43.8
203.02197	16.1
203.03999	21.9
215.04070	11.9
221.04881	17.9
245.00557	30.2
245.05035	100.0
245.15018	48.5
263.05957	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	244.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20992	0.8
55.05509	2.2
59.01959	1.1
60.04536	9.3
62.74574	0.9
67.56828	1.2
69.07074	81.7
69.44583	8.2
70.02962	5.7
74.31045	1.0
81.00492	1.1
88.03999	51.6
96.08125	1.7
97.06540	3.2
98.20680	1.0
98.24042	0.9
102.05549	98.4
106.96349	1.2
114.09203	1.0
116.10721	3.0
124.07589	5.1
125.73832	1.0
130.04997	3.1
142.08600	1.9
148.06061	100.0
149.06088	1.0
166.08670	13.3
184.09674	5.0
198.11278	16.7
212.09201	2.7
217.71823	1.0
226.10907	4.8
226.14417	3.9
244.11836	75.2
244.15376	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	244.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.4
55.05515	27.7
67.05504	0.8
69.03428	0.8
69.07072	16.4
69.47762	3.4
70.02958	3.1
70.06599	1.0
72.08157	1.0
74.02447	17.0
77.39873	0.5
79.05486	0.7
81.07063	0.8
83.04984	1.1
83.08624	100.0
84.08134	0.9
85.02910	1.8
86.09702	1.4
88.03998	30.1
91.05476	1.0
93.07047	0.8
95.04980	0.5
95.08617	0.6
98.97614	2.7
105.07070	0.8
107.08572	1.1
110.97604	0.6
111.04340	0.5
111.08096	7.4
115.48920	0.5
116.03465	16.2
116.10749	0.8
116.98642	0.7
128.02330	1.0
128.10744	1.7
129.09151	0.8
134.04498	81.0
154.12311	0.8
158.99591	1.1
164.27171	0.5
180.10222	8.2
198.11320	6.2
198.13081	0.8
214.08566	0.6
223.09120	2.8
226.10793	6.9
226.15068	0.5
232.09660	1.2
244.11833	79.6
245.11890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
53.71253	0.5
55.01879	1.1
56.96568	22.7
57.03440	2.7
60.08159	1.2
61.02924	3.8
62.59047	0.6
67.04264	0.8
69.03114	0.7
69.03439	5.4
70.03763	0.8
70.05102	1.0
70.05463	1.8
70.06603	6.6
70.98118	1.5
71.05002	1.3
71.95264	3.7
72.04482	0.5
72.08160	36.1
72.96048	1.2
73.02924	4.6
80.04990	0.9
81.03425	2.6
82.01836	0.8
82.06582	36.8
82.85687	0.5
84.04501	1.3
84.08136	4.1
84.96033	2.2
85.02909	9.6
86.03232	0.6
87.04469	1.3
91.02339	3.1
95.02460	0.9
97.02287	0.9
97.02891	8.2
97.06540	2.5
98.97588	58.0
99.04446	1.5
100.07622	100.0
100.99165	3.0
101.00871	2.1
101.02526	0.7
102.05547	1.6
103.02315	0.8
109.02891	1.5
110.01258	1.0
110.03117	0.9
110.09653	3.0
110.97618	2.7
112.02867	1.0
112.05098	36.2
112.99126	1.9
113.00838	0.7
113.03486	3.5
115.00695	0.7
116.03115	0.5
116.07121	0.7
116.98628	19.0
117.01899	0.5
117.05599	0.5
118.02833	1.2
119.01869	2.7
119.20022	0.5
124.02780	0.9
124.95520	1.5
124.99123	1.2
125.03626	0.9
126.02486	1.7
127.00749	1.3
127.03936	2.7
128.98604	2.4
130.05032	1.1
130.93336	0.5
131.00185	1.3
131.01895	0.8
133.03349	1.1
134.02278	0.7
134.99658	3.8
136.63394	0.5
140.07100	0.8
141.03099	0.9
141.04796	3.6
142.96509	1.3
143.00139	2.1
143.01866	1.0
143.02888	0.7
145.01726	5.3
145.03427	1.1
145.04984	0.8
146.02330	0.8
146.73766	0.5
146.99622	1.3
152.07013	0.6
152.94994	1.5
153.05795	1.3
153.55885	1.9
154.03854	15.7
154.05725	1.1
155.01862	0.9
156.06642	0.9
157.01682	0.8
158.08145	6.9
158.99704	2.7
161.01231	1.5
161.02951	1.3
162.56526	0.6
163.02808	8.3
163.04404	30.5
163.54541	0.7
170.53571	1.5
170.96042	5.5
170.99667	1.0
173.02890	0.8
173.09105	0.6
175.02704	0.8
175.10742	1.0
177.00668	1.4
178.04973	0.6
180.03410	0.9
181.03889	0.6
182.03494	0.6
184.02800	1.5
184.97620	0.8
188.02272	0.6
188.97089	9.0
189.00768	0.9
191.03926	0.9
191.54124	2.1
192.04362	0.6
193.85371	0.5
193.97627	0.6
198.00856	0.6
198.04413	3.8
200.12134	2.2
200.54594	1.6
201.00702	1.1
201.04568	0.6
202.03879	1.7
202.98647	1.4
203.02267	0.9
203.04027	1.0
205.03874	2.0
206.98082	3.2
207.01512	0.6
211.98714	1.7
212.02597	0.7
216.05469	1.5
219.01740	1.7
220.04938	1.9
220.99686	2.5
221.03165	0.9
223.04205	2.4
226.03865	2.3
226.05843	1.0
227.13980	3.0
229.01482	0.9
232.04756	2.1
235.06517	10.6
237.02838	1.2
244.04938	54.0
244.07034	3.6
244.16563	10.7
245.05223	0.8
262.05984	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.9
55.01875	2.8
55.05503	2.6
56.05027	3.4
56.96571	7.4
57.03441	6.1
59.73015	0.9
60.05362	1.5
60.05653	24.8
61.02914	1.9
65.03942	4.5
67.05510	4.3
67.39922	1.0
67.75156	0.8
68.05020	1.2
69.03432	5.3
69.07069	28.1
70.06595	66.6
71.01334	1.1
71.04989	3.9
71.55202	1.3
72.08168	6.0
73.02907	1.8
75.04449	1.6
79.05499	4.3
81.03414	3.8
81.04517	1.5
81.07060	5.5
82.06570	1.5
82.07439	1.1
83.04987	2.6
83.06128	1.0
84.04508	72.5
84.08142	4.4
84.96042	1.7
85.02903	7.1
85.06544	1.6
86.09711	88.4
87.04495	1.4
91.05481	7.0
93.03406	3.5
93.07044	4.6
95.01339	3.9
95.02434	2.1
95.04979	8.5
95.06068	1.3
95.08593	2.6
97.02914	5.0
97.06545	3.5
97.07645	1.3
98.97594	10.8
99.04473	2.4
100.07603	1.1
102.05494	1.2
105.03352	1.2
105.07014	6.9
107.04945	4.8
107.08600	3.2
109.02879	3.5
109.06549	5.4
109.10159	2.3
110.97554	1.3
111.04457	9.3
111.05592	1.1
112.02232	1.5
112.08744	5.4
113.03497	4.3
113.07124	3.8
114.10275	1.5
115.03949	1.2
115.05444	1.1
115.08669	4.8
116.07102	30.6
116.98624	3.4
117.07053	2.4
119.01839	2.2
119.04964	6.9
119.08591	4.8
121.02945	1.1
121.06499	2.2
121.10149	3.1
123.04423	2.9
123.08083	1.9
123.11716	0.9
125.02410	1.1
125.06001	6.2
127.03950	1.8
127.04998	1.5
128.11847	7.2
128.98604	1.6
129.06627	4.1
130.09763	8.8
131.00157	0.9
131.05000	0.9
131.08611	1.6
132.09210	2.0
132.10211	40.3
133.02745	1.4
133.09851	4.5
135.04390	1.6
135.11690	1.5
137.06012	4.6
139.03894	1.4
140.04660	7.1
141.05574	1.6
141.06718	4.7
143.00139	1.2
143.08553	1.4
145.04955	1.5
145.06491	4.4
147.04399	4.5
147.08066	1.1
147.11725	1.5
149.06015	1.2
149.09627	1.3
151.02075	1.1
151.03902	3.8
151.07571	2.7
151.09546	1.1
153.05450	1.3
153.07002	1.4
154.01981	4.4
155.02711	5.0
155.07001	8.6
155.08192	1.3
158.09251	10.6
158.99632	3.0
159.07933	1.0
159.11728	1.7
161.09683	1.7
161.13210	2.0
162.05447	4.1
165.05495	2.6
165.06998	2.4
165.09126	1.2
167.07014	2.4
168.03535	1.0
169.05066	12.7
169.06491	2.3
171.11574	1.1
173.01248	1.3
173.06015	2.7
175.11919	12.8
177.00705	3.3
179.07043	2.8
180.01143	1.8
180.04219	2.0
181.04979	5.7
183.06520	1.1
183.08037	1.4
184.05182	1.9
189.12831	1.7
191.04008	1.9
193.05035	1.8
195.06523	1.4
197.03833	15.8
197.05980	11.0
197.07999	2.2
197.10065	5.7
197.12868	37.6
198.16107	7.4
199.07628	1.4
200.04498	1.3
201.05486	1.3
207.06511	2.1
207.10207	2.0
207.13797	1.4
211.07558	4.0
215.07007	7.6
215.13931	2.4
219.01852	2.1
222.04536	1.3
223.09187	1.3
225.07449	7.8
225.12364	2.9
225.14851	2.9
225.16946	1.1
229.02768	4.1
232.06908	1.2
234.07664	2.7
237.02727	1.0
243.01781	2.6
243.04378	24.3
243.06586	6.3
243.10495	11.2
243.13460	18.8
243.18190	100.0
244.02623	1.8
261.02789	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1381
Annotation	4,4'-(2-Methylpropylidene)bisphenol
Peak:m/z	Relative Intensity
54.80439	0.5
55.05502	0.8
67.05503	1.3
69.03425	1.2
69.07069	2.7
69.19433	2.2
69.19864	2.5
71.50392	0.5
71.96138	0.5
79.05498	3.0
80.24026	0.5
81.07043	1.8
81.32797	0.5
90.62098	0.5
91.05504	2.4
91.22617	0.5
93.07059	3.8
93.71977	0.5
95.04990	1.2
95.08569	0.7
98.05862	0.4
105.07047	2.7
107.04996	0.6
108.20294	0.5
115.05430	0.8
117.07005	1.4
119.04980	2.6
119.08556	1.7
121.06527	0.9
123.08098	0.6
128.06224	1.5
129.07005	4.4
131.04900	0.9
131.08559	2.4
133.06516	1.2
133.10124	0.8
136.39305	0.5
141.06978	4.8
142.07771	1.3
143.08560	5.3
145.06467	2.8
145.10107	1.3
146.07277	1.6
147.08006	2.7
149.05969	0.7
153.07005	5.6
154.07767	3.1
155.08557	26.3
156.09306	1.6
157.06470	1.3
157.10139	2.2
159.08073	2.6
159.11688	0.6
165.07028	4.9
166.07733	1.5
167.08571	4.6
168.09361	6.2
169.06488	5.1
169.10130	7.9
171.08003	2.5
171.11728	1.8
172.08824	0.8
173.09659	2.0
173.13283	1.1
179.08611	0.9
180.09302	1.9
181.06500	1.7
181.10109	3.4
182.07306	0.7
182.10942	7.6
183.08057	28.4
183.11647	5.0
184.08760	2.7
185.09599	3.5
187.11194	0.7
192.09344	1.4
195.08029	3.5
195.11696	4.9
196.08839	3.5
197.09607	3.9
197.13261	20.3
198.10382	1.7
199.11182	12.3
200.11967	1.0
201.09105	1.8
201.12744	6.5
207.11653	2.0
209.09622	2.2
210.10411	5.0
213.12730	3.0
214.13623	1.2
215.14311	2.5
222.15340	0.5
223.11032	0.7
225.12744	49.5
227.37451	0.5
243.13815	100.0
243.28902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0865
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03940	3.5
55.01868	3.2
57.03432	2.5
61.02936	11.3
65.03944	7.9
65.24536	0.8
67.05524	4.9
69.03426	2.5
69.07060	1.0
70.93257	2.4
71.04992	1.2
77.03953	1.0
79.05511	4.1
81.03434	1.7
81.07063	8.4
82.04206	1.5
83.04994	1.0
84.04495	1.7
84.08150	15.5
85.02906	7.2
86.09715	2.1
91.05495	14.8
93.03402	3.3
94.04177	2.1
95.02454	3.9
95.04977	12.0
95.08605	1.0
97.02908	2.0
97.06522	3.3
98.97607	1.3
103.05460	1.5
105.03402	3.5
105.04500	1.1
107.04958	8.8
107.08602	1.6
108.02132	1.1
109.02892	2.6
109.06538	15.1
110.03670	4.2
111.04441	2.5
112.36916	0.8
113.03482	6.0
116.07115	0.9
119.04955	6.7
119.08587	2.0
121.06490	2.0
121.10195	1.5
123.04439	16.2
125.02337	5.3
125.06003	2.6
127.03931	2.0
133.02861	12.3
133.10152	1.2
135.04442	3.2
136.05182	1.1
137.05991	23.9
138.03143	2.5
138.92636	0.9
140.04698	97.5
141.05443	1.0
142.02643	1.6
145.04974	2.7
145.06398	1.0
146.03659	1.5
147.04436	6.2
149.02402	1.0
149.05975	1.3
149.58522	0.8
152.03400	0.9
152.04689	2.6
153.05507	5.9
155.07047	100.0
158.99702	1.2
163.03952	2.6
165.05490	18.7
165.06898	1.8
167.07101	2.4
169.04945	2.9
169.06323	1.1
171.06541	2.8
173.08098	4.1
176.26598	0.9
179.07028	10.7
180.04185	14.7
181.04976	71.6
183.06529	5.6
184.03703	1.1
193.03275	1.7
193.04987	26.7
195.06554	13.6
196.07265	1.1
197.03966	1.1
197.06078	1.7
197.08090	8.3
197.09822	1.4
207.04575	1.3
207.06554	25.4
211.07613	2.0
215.06995	1.1
218.38991	0.8
225.05487	1.5
225.07603	22.9
225.14894	1.4
231.05322	2.0
243.06560	2.4
243.08641	18.8
243.13504	11.0
243.17206	2.6
254.01003	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
54.46722	2.3
54.54053	2.2
55.01884	5.1
56.96563	17.1
57.03439	16.3
61.02928	19.7
61.79574	2.0
63.15310	2.1
69.03433	41.0
69.49706	16.2
71.04996	5.6
73.02922	17.5
81.03414	15.2
84.96028	6.6
85.02911	100.0
87.04461	6.3
89.00800	3.5
91.03983	6.2
91.94600	2.2
97.02901	36.7
98.97587	76.3
98.98196	5.0
99.04465	7.7
100.07610	8.4
101.00802	8.1
103.03947	3.1
109.02882	9.7
110.01249	13.1
110.79035	3.1
110.97577	18.2
115.00718	4.6
116.98647	11.7
119.01816	16.7
119.51940	2.9
124.99128	16.6
125.01792	10.9
127.03931	19.5
128.02335	7.0
128.98624	11.6
131.01863	6.4
133.88358	2.5
134.02299	3.6
140.02309	7.9
140.98587	2.5
143.00185	24.0
144.98123	4.6
145.04985	15.1
146.02319	11.3
146.99579	2.9
152.02275	4.6
153.05701	4.0
155.02882	14.5
157.01732	30.0
158.99667	16.5
161.01344	16.2
161.02782	16.8
162.03642	3.6
162.05363	3.2
170.03357	23.2
170.99701	12.2
175.02753	12.2
177.00713	5.5
179.02275	6.9
182.03400	9.3
182.99690	4.0
185.01283	9.5
189.00798	6.5
191.03886	54.2
200.04428	79.7
201.00725	8.5
203.02281	24.0
213.03444	3.3
215.02309	4.4
219.01825	9.4
221.03340	65.2
226.25621	2.7
233.03355	5.1
234.05768	9.9
237.02858	6.6
239.04446	10.7
243.06268	5.7
243.13437	6.0
243.16348	2.4
251.04430	9.6
263.04306	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56973	1.0
53.03962	1.1
55.01868	7.1
55.05521	1.4
56.96569	9.1
57.03437	17.6
58.06591	5.9
58.99865	1.3
59.04994	2.6
59.06919	1.7
61.02932	16.0
69.03428	5.8
70.06595	5.9
70.98112	1.1
71.01350	6.7
71.05002	3.9
71.54258	1.7
73.02917	11.0
74.65559	1.1
78.03777	1.3
81.03415	3.5
82.01450	2.8
82.06565	2.2
83.01314	1.3
83.06107	1.6
84.04517	1.4
84.08148	4.4
84.96034	1.6
85.01398	1.5
85.02910	17.8
85.08492	2.3
87.00816	1.6
87.04469	9.9
89.02402	6.0
91.03939	1.3
97.02894	6.6
98.01333	1.0
98.96993	1.1
98.97578	7.1
99.04429	1.5
100.02488	4.2
100.07625	4.8
101.00870	3.5
101.02381	19.4
101.42935	1.0
103.00652	2.4
103.03938	3.2
104.10767	3.2
105.11086	1.9
109.02856	1.6
110.01314	1.3
110.07185	1.8
110.97583	2.1
111.00827	1.5
113.00861	1.2
113.02361	5.1
115.02493	2.2
115.03935	32.7
116.07101	3.8
116.98627	4.9
118.00209	1.1
118.03552	1.5
119.01891	11.4
121.01608	1.6
123.04417	5.7
126.98802	1.5
127.03945	5.0
128.02292	2.6
128.98636	1.9
129.01842	32.0
129.03931	1.4
131.01880	3.3
131.03442	2.1
132.01979	1.6
133.01524	1.1
133.03455	3.6
133.04976	3.7
134.06004	1.2
135.03198	1.3
143.01952	3.2
143.03407	15.9
144.99893	2.3
145.03491	1.5
145.04939	2.3
146.05009	4.5
146.99623	1.7
147.03091	1.2
147.05006	2.4
148.04741	1.9
150.09087	2.7
152.07071	6.3
157.01335	30.3
158.99693	2.2
161.03059	2.6
161.04434	22.0
161.05574	3.1
164.63211	1.3
165.05411	1.7
168.01698	1.6
168.99884	1.8
170.99644	1.1
171.02878	4.6
172.99356	4.0
173.02888	2.5
174.99142	1.2
175.02437	2.7
177.02356	1.3
182.99838	1.5
183.02492	1.3
185.02835	1.3
187.00900	3.1
187.02577	1.2
189.03947	100.0
191.00424	2.3
191.02092	1.5
191.03860	1.9
192.02887	1.6
196.00916	9.5
196.09689	18.8
197.09969	1.4
199.04559	1.3
200.02496	1.1
201.02449	2.8
201.06122	1.5
204.02768	1.9
205.02010	1.3
207.05022	7.2
207.20529	1.1
212.02655	1.8
213.03384	4.6
214.02023	4.5
219.01791	3.6
219.03688	2.6
221.03223	1.5
222.03911	1.8
224.07671	3.3
225.06186	1.9
228.03561	4.0
229.01842	1.4
229.77716	1.3
230.05737	1.2
230.98219	1.3
237.02829	2.3
242.04803	1.6
242.10277	27.7
242.15813	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	241.1435
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03936	6.5
54.63936	1.7
55.01859	3.8
55.05501	7.1
57.03435	2.9
57.07064	2.9
67.05513	9.4
69.03431	12.2
69.07063	5.2
70.06568	3.2
70.76193	4.2
71.04995	2.4
72.08144	1.8
73.02916	2.2
79.05496	13.0
81.03406	4.1
81.07060	14.7
83.04994	16.2
84.04482	2.4
84.08124	2.6
85.02893	2.0
85.06538	4.3
86.09705	3.4
91.05487	19.1
93.07043	30.6
95.04985	16.8
95.08621	10.3
97.02895	8.3
97.06519	6.1
98.97578	7.8
99.04443	2.1
101.02381	3.4
103.05447	2.7
105.07027	15.3
107.04959	6.2
107.08598	16.7
109.06537	10.3
109.10131	7.5
111.04422	3.4
111.08069	5.8
116.98647	1.8
117.07022	5.5
119.08597	13.5
121.02866	1.5
121.06505	100.0
121.10136	13.7
123.04420	5.7
123.08051	9.1
123.11679	2.8
124.07641	2.3
125.05997	3.5
125.09623	5.8
127.03912	1.6
127.07555	4.4
129.07047	4.9
130.07790	1.8
131.08586	4.6
133.10133	2.7
135.08061	14.9
135.11674	5.3
137.05962	5.8
137.09596	6.5
139.07539	7.4
141.05516	3.4
144.09369	3.3
145.06506	1.9
145.10071	8.3
147.08008	2.9
147.11667	3.1
149.05986	49.9
149.09654	8.5
149.13260	3.9
151.03914	6.4
151.07542	3.2
153.07054	2.5
153.09088	8.2
154.99487	1.6
157.08614	1.7
157.10103	2.0
158.99582	2.3
159.08029	2.2
159.11668	14.4
161.09682	4.2
163.07564	3.0
163.11191	8.8
164.07014	1.7
165.12753	3.8
167.06999	10.8
167.11893	2.1
170.07280	1.7
175.11206	4.5
177.12729	8.4
179.10609	3.5
181.06194	3.9
187.11198	8.2
193.12334	2.2
195.02899	3.8
195.13873	2.6
196.09647	3.0
205.12224	12.7
221.07538	3.9
223.05986	4.0
223.09596	2.6
223.13242	12.1
224.09120	3.5
241.06891	3.5
241.09248	3.1
241.14287	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	241.1434
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03938	3.5
55.01877	3.5
55.05505	8.2
67.05496	13.3
69.03438	27.3
69.58650	6.5
69.59061	11.6
71.04987	4.9
73.51965	2.7
79.05495	14.2
81.03416	9.2
81.07052	12.4
83.04984	23.5
83.25162	2.9
85.02924	3.7
85.06544	3.4
87.04455	4.2
87.50436	2.7
91.05483	26.1
93.07050	70.1
95.04967	22.0
95.08601	21.8
97.06512	7.9
98.97586	12.8
103.05429	6.2
105.07037	20.3
107.04944	8.4
107.08602	20.8
109.06533	21.3
109.10154	9.5
111.04472	2.8
111.08058	8.5
117.07011	9.4
119.08552	20.0
121.06510	100.0
121.10144	20.2
123.08121	14.3
124.35010	3.0
124.94176	2.9
125.05949	7.1
127.07534	11.0
129.06985	4.7
130.07866	3.6
131.08531	8.1
133.10101	12.4
135.08072	16.7
135.11705	6.4
137.09625	26.2
139.07556	18.4
145.10132	14.9
147.08012	3.8
147.11644	3.5
149.05931	7.3
149.09636	18.7
151.11214	4.4
153.09085	9.9
157.08662	5.2
157.10149	4.4
158.99646	4.6
159.11705	23.9
161.09653	10.3
163.11134	15.5
167.07028	10.0
171.10321	3.5
175.11192	12.2
177.12752	11.7
179.10693	8.6
181.08621	3.8
187.11142	13.7
193.12244	12.7
205.12233	32.3
221.07547	9.9
223.13297	31.4
226.69608	2.9
230.07983	10.7
241.08766	5.3
241.14383	31.5
257.04477	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	241.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04783	0.4
55.05503	1.4
56.96573	4.3
57.03429	0.9
58.06606	16.0
61.02921	0.9
67.05498	0.7
69.03438	2.3
69.07051	0.5
69.46796	0.9
69.47205	1.9
70.06612	2.6
71.04997	0.5
72.08178	0.5
73.02901	1.3
73.06558	0.6
74.06066	0.5
77.17354	0.4
77.19104	0.4
79.05502	0.5
81.03412	1.0
82.06580	0.7
84.08148	8.7
84.96033	0.6
85.02921	3.0
87.04489	0.6
91.29566	0.4
95.04953	0.4
95.08506	0.3
97.02891	2.4
97.06516	0.7
98.09683	1.3
98.21458	0.9
98.97591	21.6
99.04485	0.8
100.07619	1.4
101.00902	0.8
105.06995	0.4
109.02894	0.6
110.97575	1.0
112.99168	0.7
116.07130	0.6
116.98644	7.2
119.01839	0.8
126.05482	0.4
127.00657	0.5
127.03851	0.4
128.10739	3.6
128.98553	0.6
131.00151	0.4
134.06018	1.3
134.99632	2.2
136.07562	0.8
137.05983	0.8
140.00191	1.6
143.01894	1.0
144.10228	0.6
145.01726	0.4
145.05013	0.4
146.08156	0.9
146.99585	0.4
147.05766	1.7
151.05975	0.6
152.07088	1.3
154.03792	0.5
155.04681	2.2
156.07632	0.4
158.01236	2.0
158.99664	2.5
161.02953	0.8
161.04688	0.9
162.03413	0.4
163.08716	0.7
164.05060	0.6
164.07086	14.1
168.10220	1.0
169.04373	0.9
173.01271	0.5
173.02946	0.6
176.02422	0.4
177.00726	3.9
177.05659	0.7
181.09711	1.1
189.04175	0.5
190.04976	1.8
195.01770	1.1
195.08212	0.4
196.09685	5.7
198.99092	0.4
200.04491	0.4
201.00745	0.5
201.04205	0.4
208.55064	0.5
209.03589	0.4
213.16060	0.7
213.44075	0.4
217.00140	0.6
219.01669	0.9
223.10762	1.4
237.02942	0.7
241.15488	100.0
245.05119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	8.3
70.20475	1.1
71.94928	0.4
71.95267	2.6
75.73389	0.5
96.02013	0.4
98.20814	0.8
98.97592	100.0
116.98631	36.4
119.01917	0.5
134.99670	8.8
140.00186	3.4
153.00716	0.4
158.01247	2.8
158.99623	0.5
177.00719	4.6
188.90323	0.4
195.01846	1.6
199.01074	0.7
216.98656	0.5
219.02068	0.9
234.99950	0.7
240.98755	1.3
254.50682	0.4
258.99796	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	240.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01840	1.0
55.05512	12.0
57.03443	6.2
57.07066	3.6
59.04988	2.0
62.06092	35.1
65.03916	1.2
67.05506	50.5
69.03413	2.7
69.07069	10.8
70.02935	1.4
70.07404	1.0
70.57062	2.0
71.04993	4.3
71.08617	1.0
72.04520	1.1
73.02898	1.7
79.05073	1.2
79.05494	19.7
80.05015	0.9
81.03416	2.1
81.06590	2.1
81.07061	36.4
82.07391	2.1
83.04955	3.0
83.08614	5.4
85.02886	2.1
85.06542	1.1
90.74199	0.9
91.05473	9.6
93.07046	26.6
94.07370	0.9
95.04964	7.7
95.08608	75.0
96.08932	3.5
97.06499	2.1
98.97592	2.2
102.05531	4.4
105.07024	12.1
107.08604	10.7
108.08901	0.9
109.06523	4.4
109.10160	37.7
110.10481	2.1
111.04378	0.9
111.08089	2.7
117.07014	1.6
119.08586	21.0
120.08926	1.5
121.10159	7.2
122.10481	1.8
123.08079	4.8
123.11692	2.4
124.12088	1.1
124.78394	0.8
125.09649	1.3
128.03384	1.0
128.07027	0.8
131.41830	0.9
133.10121	6.2
134.10458	1.7
135.11707	7.6
136.12029	1.3
137.09628	11.3
137.13243	2.8
138.13600	1.5
142.12299	2.6
147.11714	1.1
148.12019	1.3
149.13252	1.6
151.14809	18.3
153.08981	1.0
161.13268	6.3
170.11780	4.3
179.14333	12.2
180.10170	3.4
190.55846	1.1
199.56308	1.2
200.07593	1.0
204.18266	2.9
211.07263	1.0
212.12900	1.1
222.18919	3.1
240.12395	2.0
240.19592	100.0
240.22998	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	240.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.05501	0.8
57.03419	0.2
57.07076	0.2
62.06069	0.3
67.05495	0.6
68.44542	0.2
69.03436	0.3
69.07049	0.6
69.36326	1.5
69.56025	0.2
70.06612	0.4
70.07394	0.2
72.04511	0.9
72.08147	0.2
74.06071	0.5
79.05490	0.9
80.05019	0.3
81.03427	0.2
81.07043	1.5
82.06588	0.4
82.07363	0.3
83.08610	0.4
84.08145	0.2
85.02914	0.2
91.05483	0.4
93.07034	1.7
94.06552	0.5
94.07399	0.2
95.08623	1.4
96.08129	0.3
96.08892	0.2
97.06499	0.3
98.97601	0.7
99.04458	0.2
100.07611	0.3
105.07043	0.3
106.06540	0.2
107.08581	1.0
108.08119	0.6
109.06551	0.3
109.08871	0.2
109.10131	0.3
110.09632	0.3
112.07587	0.6
114.09206	0.5
119.08586	0.3
121.06506	0.2
121.10138	0.3
122.09653	1.0
123.10460	0.4
123.11773	0.3
124.07589	4.5
124.08483	0.3
124.11230	0.3
126.09128	0.3
128.10733	0.5
128.98616	0.2
133.10133	0.7
134.10484	0.3
135.11690	0.7
136.11205	1.6
137.13261	0.5
137.17625	0.2
138.09151	0.8
139.09944	0.9
140.10725	0.6
142.12297	1.5
148.04700	0.5
148.07568	0.2
149.11942	0.2
150.12779	1.4
151.13556	0.7
152.07056	0.4
152.10667	1.8
152.14299	0.4
153.11459	0.7
153.12680	0.2
154.12271	2.8
161.09605	0.2
166.05864	0.3
166.12263	3.7
167.13087	2.1
168.13821	1.1
176.11490	0.2
178.15874	0.5
179.10692	0.5
180.11046	0.4
194.08054	0.3
194.15349	1.7
196.16972	100.0
197.17310	0.5
198.18552	1.6
199.06310	0.6
204.18756	0.2
208.06808	0.9
217.07393	0.4
222.07652	0.3
222.11368	0.3
226.07352	0.4
240.08701	0.6
240.13144	1.2
240.19588	62.7
241.19963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2008
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.97883	1.7
55.01869	4.9
55.05517	30.7
57.03436	5.5
57.07079	17.8
59.05010	21.4
60.12291	1.6
65.03925	3.0
67.05509	31.6
69.03442	5.2
69.07078	42.6
70.13364	5.1
71.04995	11.5
71.08627	3.8
79.05502	17.2
81.07063	100.0
83.04983	8.1
83.08620	26.8
85.02908	4.8
85.06551	14.6
87.04468	3.5
89.06042	10.0
91.05484	12.1
93.07053	37.1
95.04982	6.5
95.08617	88.1
96.17031	2.0
97.06534	18.4
97.10166	15.5
99.04475	3.5
99.08106	7.7
101.02386	3.1
105.03387	4.4
105.07036	24.4
107.08601	48.3
109.06552	10.6
109.10157	55.1
111.08128	10.8
111.11734	15.9
113.06039	2.0
113.09633	3.6
115.05562	2.1
115.07574	4.9
117.07032	3.2
119.08593	30.8
119.63790	1.8
121.06528	4.0
121.10143	38.2
123.08086	13.0
123.11726	36.4
125.09647	11.6
127.07597	3.5
127.11263	2.8
129.06985	3.2
133.08577	5.3
133.10149	35.6
135.08031	2.6
135.11711	33.5
137.05986	3.9
137.09625	8.3
137.13263	56.8
139.11211	20.8
143.08545	2.2
143.10684	10.3
145.10156	5.8
147.11707	25.5
149.13269	14.3
151.11189	13.0
151.14851	2.8
153.12784	5.3
157.10159	2.7
157.12213	3.1
159.11731	2.5
161.09613	2.9
161.13284	17.3
163.11128	4.4
163.14836	22.4
165.09140	4.6
165.12772	7.8
169.10066	3.7
173.35916	1.7
175.11292	2.6
175.14841	10.3
177.16435	7.5
179.10680	3.3
179.14320	5.1
179.17958	2.9
181.10109	2.3
183.11739	4.6
193.15918	3.5
193.19543	8.7
197.13351	4.1
203.10660	2.7
203.14362	6.3
203.17970	50.6
221.11761	4.9
221.15689	11.5
221.19032	61.3
239.06964	4.0
239.08932	17.4
239.10902	3.3
239.12648	3.9
239.16315	4.5
239.18051	6.1
239.20081	40.7
240.19545	5.6
243.01695	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03946	2.5
55.01880	3.7
55.05519	15.0
57.03434	1.6
57.07081	5.0
59.05001	5.7
59.19952	1.5
67.05518	20.2
69.03442	10.2
69.07076	14.2
69.29587	13.1
71.05000	18.8
79.05495	18.8
80.97166	1.4
81.07066	100.0
83.04987	3.8
83.08617	8.2
85.06544	6.0
91.05477	11.3
93.07058	26.7
95.04980	5.7
95.08614	31.5
95.33559	1.5
97.06544	6.9
97.10189	4.2
99.07485	3.0
99.08102	37.9
105.07035	24.8
107.08607	28.7
109.06541	12.1
109.10168	29.9
111.04443	5.1
111.08080	4.2
111.11726	1.7
113.09682	1.6
117.06999	2.0
119.08603	11.3
121.06533	2.6
121.10162	22.9
123.08057	3.7
123.11711	9.1
125.09618	7.2
127.07560	18.8
127.11200	16.8
131.08603	5.1
133.10146	34.6
135.08063	5.4
135.11716	11.5
137.09576	2.7
137.13234	1.7
139.11201	5.0
143.10689	4.9
145.10141	14.5
147.11707	9.8
149.13251	12.1
151.10004	1.5
151.11198	28.8
155.10693	7.3
159.11758	7.1
161.13284	10.8
163.11273	3.7
165.12804	2.5
168.37407	1.4
169.12285	2.9
173.13374	2.9
175.14888	3.4
177.12767	3.7
177.16428	4.4
181.08612	1.7
181.12209	2.3
191.07140	2.1
191.17955	4.4
201.16412	9.5
219.13876	2.5
219.17473	18.8
222.06532	1.5
237.09230	2.6
237.14891	5.0
237.18546	17.2
237.22160	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
50.28625	2.9
51.45716	2.7
51.90427	2.3
53.03954	2.9
55.01860	4.3
55.05508	14.9
56.63282	2.7
57.03441	4.6
57.07079	2.9
59.04998	5.3
61.88905	2.6
67.05517	22.4
68.29915	2.4
69.03439	21.8
69.07072	25.9
69.91859	10.8
71.05000	38.9
79.05495	27.2
81.07063	100.0
83.04966	6.3
83.08624	11.4
84.84237	2.6
85.06548	6.0
91.05469	20.1
91.25237	2.7
93.07050	56.2
94.02960	2.6
95.04985	8.0
95.08617	45.8
97.06542	12.3
98.97603	2.8
99.08102	29.0
100.92653	2.4
103.05477	2.7
105.07037	53.0
107.08607	40.2
109.06505	23.3
109.10162	37.1
111.08080	5.4
113.09616	3.6
116.03814	2.5
117.07033	3.8
119.08585	21.8
121.06490	4.6
121.10158	28.2
123.08065	8.4
123.11726	17.7
125.09658	14.4
127.07583	12.1
127.11209	39.9
129.18707	2.7
131.08600	12.6
133.10138	52.6
135.08034	6.2
135.11696	25.0
137.09610	3.7
139.11212	6.1
143.10670	8.4
145.10127	30.1
147.11694	16.8
149.09602	3.7
149.13280	7.2
150.33095	2.4
151.11189	60.1
153.05391	3.9
153.42082	2.4
155.10730	14.0
156.53751	2.7
159.11700	18.6
161.13268	14.5
163.07567	3.0
163.11214	9.4
173.13284	10.4
175.14879	3.2
177.09225	3.3
177.12720	6.4
177.16426	3.7
191.17967	4.9
201.16415	20.6
219.10104	4.4
219.13832	6.4
219.17461	41.7
237.07474	4.1
237.14827	8.4
237.18533	47.9
237.22212	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	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
50.11634	2.9
50.49939	2.6
53.03472	2.4
53.03946	3.5
55.01858	2.7
55.05516	14.9
55.05753	2.6
57.03438	5.8
57.07066	7.7
59.04993	8.6
67.05501	24.9
69.03419	7.8
69.07071	18.0
69.88490	12.1
71.04989	26.7
75.99600	2.4
79.05493	18.7
81.03424	3.3
81.07058	88.6
83.04987	10.2
83.08610	6.9
85.06549	8.1
91.05475	23.0
93.06474	5.5
93.07048	100.0
93.07635	5.1
94.02917	9.7
95.04971	18.6
95.08606	41.8
97.02821	2.4
97.06516	12.6
97.10168	3.3
98.21487	4.8
98.97572	6.7
99.04453	4.1
99.08105	13.1
102.96870	3.6
105.06387	4.3
105.07034	46.9
105.07687	4.2
107.08604	43.0
109.06509	13.4
109.10147	32.9
111.08091	7.2
113.06003	5.8
115.07587	4.7
117.07026	6.3
119.08588	37.4
121.06395	2.4
121.10146	26.9
123.08054	8.1
123.11703	43.8
125.09618	6.1
127.07554	10.0
127.11213	9.9
131.04958	3.0
131.08566	18.8
133.10138	53.0
135.08064	8.3
135.11656	20.8
136.90372	2.4
137.09602	4.2
137.13284	3.3
143.10648	3.2
145.10100	23.4
147.11713	20.1
149.09711	3.4
149.13258	9.7
151.11201	38.8
155.10641	3.1
159.08054	5.4
159.11723	20.2
161.13280	11.3
163.11224	5.1
165.12863	3.2
173.13263	11.0
175.14838	3.5
177.12703	6.8
177.16420	4.9
191.07022	4.7
191.14334	3.9
191.17953	6.9
201.16396	23.8
216.10156	3.3
219.10155	9.1
219.13985	4.3
219.17453	49.7
225.08775	3.5
237.11198	4.8
237.14877	6.1
237.16379	4.8
237.18521	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
51.22178	2.4
55.01857	5.3
55.05514	28.3
56.96553	2.4
57.03438	12.1
57.07058	4.6
65.03928	2.6
67.05504	24.9
69.03430	15.7
69.07071	13.4
69.43644	16.2
71.04994	43.5
73.06566	2.9
79.05489	28.1
81.07063	77.8
83.04982	28.8
83.08622	5.3
85.02869	3.0
85.06535	5.5
87.08047	2.4
91.05485	29.7
93.07043	43.9
95.04973	11.1
95.08616	39.3
97.06558	12.7
97.07057	2.4
97.10126	3.9
98.97559	4.6
99.08103	10.7
103.05459	3.1
104.09746	2.4
105.07024	40.6
107.04934	7.9
107.08597	36.9
109.06514	17.9
109.10162	30.5
111.04453	3.2
111.08052	7.3
111.20361	2.1
115.05437	6.4
117.07024	11.6
119.08591	20.7
121.06490	4.7
121.10151	35.6
123.04430	2.4
123.08032	6.2
123.10950	2.2
123.11691	15.6
125.05923	2.3
125.09629	9.0
127.07541	3.3
127.11197	29.6
128.06171	2.2
129.06976	3.7
131.08586	15.8
133.06487	2.7
133.10139	100.0
135.04408	5.3
135.08066	11.9
135.11713	15.7
137.05972	6.2
137.09610	4.1
137.13245	3.2
139.11177	9.8
143.10637	6.8
144.05670	3.7
144.09253	2.4
145.06473	6.9
145.10123	25.9
147.08028	4.9
147.11668	15.2
149.09581	2.1
149.13269	8.9
151.07561	2.5
151.11195	47.5
153.12723	7.7
155.10602	10.7
159.08032	3.5
159.11685	21.7
161.13232	10.0
163.04019	4.4
163.07553	16.2
163.11177	4.9
165.05481	6.9
173.05951	5.1
173.09615	2.5
173.13281	5.5
175.14822	2.6
177.05499	3.9
177.12714	4.3
177.16435	4.0
181.08617	2.6
181.12303	2.3
191.07031	33.0
191.17950	4.1
193.08656	4.3
201.16373	17.5
218.67496	2.3
219.06587	20.9
219.10045	3.9
219.13721	5.2
219.17445	29.3
223.84178	2.4
237.07474	40.9
237.11107	2.8
237.14865	4.8
237.18501	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.01882	0.7
55.05515	6.5
57.07076	2.8
59.05003	2.8
67.05507	4.0
69.07077	5.6
71.04999	24.4
71.08640	0.9
71.55264	0.7
79.05508	1.9
81.03425	1.4
81.07068	12.3
81.68103	0.6
83.04987	4.9
83.08640	4.7
85.06551	8.0
91.05487	2.1
93.07047	5.4
95.08617	7.0
97.06549	1.6
97.10175	2.2
99.04463	100.0
99.08102	0.9
101.06038	6.8
105.07048	8.3
107.08602	7.1
109.06527	1.6
109.10154	5.7
111.04440	0.9
111.08119	1.4
113.09634	0.9
117.07058	0.9
118.06598	0.9
119.08580	10.7
121.10159	7.3
123.08078	1.4
123.11696	4.4
125.09674	1.5
127.07619	1.1
127.11208	1.1
131.08595	2.8
133.10129	5.7
135.11726	3.4
137.13261	1.8
138.02287	0.7
145.10129	7.7
147.11742	1.8
149.13261	2.6
151.11223	1.4
159.10451	1.3
159.11707	18.6
161.11983	1.3
161.13277	19.9
161.14635	1.2
162.47205	0.6
163.11237	2.3
163.14772	0.8
173.13278	2.7
175.14864	2.4
177.12781	2.5
177.16415	1.5
179.14333	5.2
181.12289	3.1
188.59674	0.7
191.17964	0.8
201.16396	17.4
209.11664	0.7
219.17453	16.0
219.20969	1.5
237.16708	1.3
237.18518	32.9
237.22040	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	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03941	2.9
55.01880	2.9
55.05520	10.4
57.03444	2.1
57.07067	5.8
59.05000	5.8
60.63277	1.4
60.72861	1.4
65.03966	1.9
67.05181	1.5
67.05511	22.5
69.03429	5.3
69.07077	14.9
69.43078	11.3
71.04995	22.6
77.03914	1.4
79.05499	13.1
81.03425	2.5
81.06578	3.1
81.07062	79.3
83.04982	10.7
83.08619	6.5
85.06533	6.7
91.05482	14.7
93.07049	100.0
94.02917	9.8
94.07427	1.6
95.05004	8.2
95.08616	39.2
97.02872	2.0
97.06530	10.8
97.10175	2.7
98.97565	3.5
99.04465	1.6
99.08119	10.4
103.48873	1.3
105.07040	24.1
107.04929	1.5
107.08595	30.3
108.29580	1.8
109.06537	8.7
109.10159	26.0
111.04443	2.4
111.08087	4.2
113.06002	6.3
113.09612	2.0
115.07571	3.3
117.07011	3.7
119.07807	1.7
119.08591	23.3
121.06498	3.0
121.10150	20.0
123.08052	7.9
123.11713	46.4
125.09655	7.7
127.07581	6.8
127.11233	7.5
129.07011	1.8
131.08577	5.8
133.10141	42.0
135.08061	5.1
135.11699	18.5
137.09605	3.2
139.11232	1.9
143.08551	1.7
143.10634	2.5
143.47948	1.5
145.10123	14.8
147.08073	1.6
147.11702	13.1
149.05988	2.3
149.09653	4.3
149.13239	6.4
151.11205	30.1
153.05363	2.2
153.12717	1.7
154.03874	4.2
155.10628	2.9
158.99699	1.8
159.11691	16.2
161.13260	11.1
163.07579	2.6
163.11209	4.9
163.14796	2.0
165.12720	2.1
167.10692	1.3
173.09595	1.5
173.13293	7.0
175.14868	3.6
177.05513	2.3
177.12788	5.0
177.16399	4.9
179.14473	1.6
181.08585	2.5
187.07457	1.5
191.10649	2.9
191.14401	3.9
191.17952	6.1
201.16405	16.8
215.07477	1.5
219.06497	1.3
219.10155	4.8
219.13857	4.1
219.17451	40.0
237.07358	2.7
237.11267	4.5
237.14934	8.4
237.18532	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
53.03942	2.7
55.01854	3.1
55.05260	2.9
55.05515	35.1
57.03441	3.0
57.07079	18.3
59.04991	6.7
67.05511	31.9
69.03438	11.1
69.07072	68.6
70.48028	1.7
70.59000	5.1
71.04989	7.4
71.08630	4.8
76.31672	2.1
79.05501	20.1
81.07064	84.0
83.04974	9.1
83.08628	32.5
85.06541	7.3
85.10173	2.4
91.05479	13.9
93.06473	2.9
93.07045	46.5
95.04965	6.2
95.08613	100.0
97.06540	11.5
97.10174	15.1
99.08098	8.1
105.07046	19.8
107.08601	52.4
109.06504	7.7
109.10155	55.8
111.04446	33.3
111.08071	10.1
111.11694	4.0
113.05988	2.1
113.09653	3.0
117.07051	1.7
119.08609	11.3
121.06505	7.4
121.10152	65.7
123.08080	5.1
123.11720	22.6
125.06028	8.7
125.09640	10.0
127.07565	5.4
131.08546	8.0
133.10095	10.2
135.08051	7.8
135.11696	36.6
137.09634	3.3
137.13246	14.0
139.07521	8.1
139.11160	5.8
145.06520	1.8
145.10129	12.4
147.11702	4.5
149.09624	6.3
149.13251	12.6
151.11169	5.6
151.14850	2.7
153.09132	6.3
153.12813	3.4
154.63899	1.7
159.11708	9.1
161.13275	6.9
163.11197	10.5
163.14799	4.8
167.10674	8.4
173.13234	4.5
175.14845	3.2
177.12711	4.6
177.16393	15.5
181.12257	15.2
191.07036	2.4
191.14349	3.7
191.17960	33.8
193.08620	2.7
195.13968	2.3
201.16368	13.6
209.18983	6.4
219.10252	2.8
219.13907	4.8
219.17467	26.2
219.21037	3.1
237.09253	3.5
237.14740	8.6
237.18510	46.1
237.22141	8.0
247.28360	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03930	2.0
53.72499	1.4
54.08028	1.3
55.01871	1.8
55.05524	7.4
57.07057	4.5
59.05004	9.6
63.83925	1.3
67.05505	9.7
69.03436	1.8
69.07072	15.3
70.07568	6.3
71.04989	9.2
71.05300	1.7
73.02895	1.5
73.03319	1.2
76.59270	1.3
79.05514	7.3
79.11537	1.4
81.07056	17.6
83.04961	2.8
83.08613	3.6
91.05465	7.6
92.34945	1.3
93.07046	21.9
95.04952	3.4
95.08606	17.3
97.06514	5.5
97.10188	2.5
98.21460	2.4
100.97641	1.3
102.19291	1.4
105.07039	14.4
105.60011	1.5
107.08597	27.2
109.06508	4.3
109.10159	21.3
111.08099	2.6
113.09644	1.5
117.07009	6.0
119.08567	18.1
121.06480	2.6
121.10146	30.1
123.08092	3.6
123.11701	4.1
125.09661	2.6
131.08571	5.5
133.10143	10.6
135.08022	5.7
135.11691	16.3
137.09578	4.4
139.11195	5.1
143.08553	1.8
145.10124	22.9
147.11658	5.8
149.09564	2.5
149.13245	13.0
151.11203	2.0
159.11687	18.0
161.09595	3.4
161.13268	13.8
163.11223	9.3
163.14864	2.4
173.13425	1.8
176.11943	5.0
177.12729	6.6
177.16435	1.9
181.12291	2.4
191.17934	9.5
192.06467	2.1
195.13873	2.2
201.16402	13.0
207.11794	2.5
219.17442	100.0
237.09116	3.7
237.12743	5.3
237.16405	6.5
237.18497	84.3
237.22171	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	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
55.01861	10.7
55.05523	21.1
57.07068	12.2
58.73616	4.0
59.04995	5.8
67.05510	25.1
69.07077	35.0
71.04996	47.1
71.19959	6.3
74.81637	3.7
79.05492	18.3
81.07066	56.9
83.04987	11.3
83.08625	25.3
85.06552	60.3
91.05492	23.0
93.07058	46.6
95.04980	4.7
95.08617	62.9
95.80257	3.6
97.06533	16.3
97.10180	6.8
99.04456	11.4
99.08088	10.5
105.07032	69.1
105.07685	5.7
107.08611	66.7
109.06492	6.6
109.10167	69.1
111.08107	32.0
111.11748	4.3
113.06003	22.4
113.09647	13.9
117.07002	8.3
119.07793	7.3
119.08590	94.7
121.10160	47.0
123.08002	5.3
123.11725	12.1
125.09652	9.4
127.11194	7.5
129.09122	12.6
131.08609	18.0
132.09468	3.4
133.10141	47.7
135.11717	36.1
137.09639	5.3
139.11186	7.7
145.10136	45.2
147.11710	20.7
149.09624	9.8
149.13283	16.7
151.11256	4.4
159.11699	51.6
161.13272	100.0
163.11160	9.3
173.13261	11.1
175.14819	23.9
177.12798	5.7
177.16380	13.2
179.08585	9.5
179.14337	10.2
181.10071	4.0
182.70784	3.7
191.14346	8.1
191.17982	21.3
193.15822	5.0
195.11705	5.7
196.00581	4.9
201.16414	72.2
204.99130	4.4
207.11681	4.9
209.11621	7.1
209.13390	4.7
219.17451	69.9
222.10428	5.0
222.13992	5.6
233.33281	4.5
236.04312	4.7
237.12906	27.7
237.16408	14.2
237.18539	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	235.2057
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
50.19827	0.6
53.03930	1.4
55.01871	1.4
55.05269	1.2
55.05515	19.0
57.03422	0.8
57.06826	1.1
57.07078	13.6
59.05011	0.8
65.03952	0.7
67.05507	29.2
69.03423	2.3
69.07073	29.2
70.88105	2.2
71.04985	2.4
71.08621	1.7
74.92583	0.8
77.03947	0.7
79.05499	15.9
81.07061	82.3
83.04983	2.8
83.08624	13.0
85.06545	12.8
91.05484	12.6
93.07052	42.4
95.04954	2.8
95.08612	57.4
97.06539	6.6
97.10171	12.2
99.08089	5.7
103.26617	0.8
105.07039	38.6
107.04942	0.8
107.08602	41.6
109.06500	4.0
109.10161	71.4
111.08085	20.5
111.11707	3.3
113.09634	3.1
117.06995	1.6
119.08588	30.1
121.06493	1.3
121.10146	36.8
121.11033	1.8
123.08072	3.1
123.11713	28.6
123.84944	0.7
125.09648	7.0
125.13288	0.9
131.08582	1.8
133.09238	1.3
133.10141	14.2
135.11697	22.3
137.09587	1.4
137.13290	6.2
139.11191	4.6
145.10124	1.0
147.08034	1.3
147.11696	17.4
149.13269	22.2
151.11166	1.1
151.14812	2.5
153.12769	1.4
157.10095	1.6
159.11674	1.6
161.09644	1.4
161.13272	29.7
163.14806	9.1
165.12730	3.0
175.14833	8.6
177.16347	7.2
179.10680	2.4
179.14284	4.7
189.12733	1.1
189.16391	5.0
191.17967	22.7
193.15739	0.9
208.82217	0.8
217.15967	2.1
217.19528	40.6
235.09569	1.6
235.17136	10.7
235.20578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
55.01848	1.3
55.05512	23.9
57.03432	3.4
57.06826	2.2
57.07081	24.1
64.75727	1.3
65.03919	1.7
67.05507	44.6
69.03413	2.6
69.06723	2.5
69.07071	32.8
71.04986	7.0
71.08630	2.2
71.55221	1.2
78.30331	1.3
78.61104	1.2
79.05494	19.8
81.03450	1.3
81.07060	91.4
83.04975	5.2
83.08616	12.6
85.02924	1.3
85.06548	14.3
91.05491	17.6
93.07049	51.0
95.04978	6.3
95.08611	65.5
97.06550	9.5
97.10178	14.2
99.08120	6.1
103.05470	2.1
105.03413	1.8
105.06301	1.8
105.07035	50.7
107.04941	5.2
107.08602	44.4
109.06506	8.3
109.10163	74.2
111.04452	2.4
111.08093	23.3
111.11725	4.0
113.09637	3.3
115.05432	2.4
117.07062	3.5
119.08589	38.3
121.06514	13.3
121.10150	40.2
121.11033	2.0
123.08054	6.0
123.11707	29.4
125.09627	7.2
128.06201	2.5
129.07027	3.9
131.08580	7.4
133.06483	3.2
133.10135	22.8
135.08055	11.2
135.11708	27.5
137.05894	1.8
137.09653	5.4
137.13257	4.9
139.11180	5.1
142.07861	2.1
143.08566	4.7
145.06525	2.0
145.10147	5.2
147.08052	5.9
147.11690	25.4
149.09622	2.4
149.13272	26.4
151.11188	2.2
153.12779	2.6
156.09288	1.5
157.10144	6.4
159.11691	7.2
161.06003	2.2
161.09612	14.8
161.13272	29.9
163.11218	1.3
163.14798	8.0
165.09167	1.9
165.12755	2.8
171.11688	3.8
173.13297	3.5
175.07518	2.8
175.11206	9.8
175.14859	15.6
177.12733	4.6
177.16382	7.3
179.10687	9.5
179.14278	3.2
186.10420	1.5
187.07571	2.3
187.18893	2.5
189.09135	2.3
189.12747	5.4
189.16362	12.3
191.14359	1.7
191.17949	22.8
193.12141	1.7
199.14877	5.4
207.10036	1.4
217.08687	2.1
217.12378	6.0
217.16016	14.7
217.19525	34.5
220.12468	1.6
226.59610	1.7
235.07675	2.3
235.09601	4.9
235.13121	6.1
235.15051	2.8
235.16942	58.8
235.20609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
51.37495	2.0
53.03933	4.4
55.01876	2.0
55.05513	10.6
57.03428	3.3
57.07066	8.5
65.36848	1.7
67.05172	2.7
67.05502	35.9
67.49558	2.1
69.03432	29.4
69.07050	14.7
69.28149	14.4
71.08610	1.8
73.70535	1.7
79.05484	21.1
80.35950	1.7
81.07056	35.2
81.63840	1.7
83.05012	2.6
83.08607	7.3
91.05479	25.9
93.07047	40.9
95.04945	8.5
95.08613	23.6
97.06516	6.1
97.10168	2.6
98.20660	2.9
105.07037	31.6
107.05029	2.3
107.08598	26.5
109.06532	14.2
109.10160	45.7
117.07021	4.9
119.07784	3.0
119.08580	31.7
121.05661	3.0
121.06508	53.4
121.10138	19.1
123.08100	3.6
123.11674	1.9
129.07069	2.7
131.08565	8.5
133.06503	3.4
133.10126	36.4
135.08054	39.8
135.11700	4.6
137.09650	2.9
142.07782	3.0
143.08566	7.6
145.10080	2.9
146.07317	3.9
147.08069	22.5
147.11707	17.3
149.09604	7.8
149.13246	2.3
151.11200	5.0
153.09140	2.2
157.10118	6.9
159.11687	3.2
161.08301	4.4
161.09622	76.6
161.13274	5.3
173.13277	3.8
175.11209	17.7
175.14827	16.9
177.12717	3.6
179.10669	8.9
189.12744	2.4
189.16411	15.3
199.14819	7.4
217.15895	25.2
220.12410	2.6
235.11197	3.8
235.14903	5.5
235.16916	100.0
235.20515	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	235.1692
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03946	1.7
55.01862	2.2
55.05519	12.7
57.03407	1.8
57.07080	20.0
57.48775	1.7
59.04988	4.3
67.05508	25.4
69.03404	5.5
69.07079	18.1
71.04966	6.3
71.56261	2.8
79.05490	15.5
81.07055	34.1
83.04970	4.2
83.08630	7.0
84.11638	1.4
85.06541	4.9
86.09681	1.6
91.04962	2.3
91.05482	22.2
93.07051	29.1
95.04966	8.5
95.08610	38.8
97.06525	7.8
105.07034	35.0
107.08599	38.5
109.06522	10.4
109.10149	21.5
111.08069	6.6
111.11822	1.7
115.05491	2.2
117.07014	9.5
119.08584	94.2
121.06471	3.6
121.10139	28.3
123.08092	7.1
123.11699	9.2
123.84975	1.5
125.09566	1.8
128.06177	3.1
129.06992	2.7
131.08560	18.7
132.26755	1.4
133.06540	2.6
133.10127	55.8
135.08044	15.7
135.11707	17.6
137.09630	8.2
142.07767	3.9
143.08548	10.2
145.10129	16.8
146.07236	2.0
147.08017	5.5
147.11700	21.5
149.09612	4.2
149.13232	5.2
151.11177	8.9
156.09331	3.5
157.10133	13.6
158.10805	3.7
159.08044	2.1
159.11716	18.7
160.12029	1.6
161.09624	65.3
161.13205	8.8
170.10968	2.1
171.11630	8.5
173.13277	19.8
175.11198	16.3
175.14816	19.3
177.12755	4.5
179.10701	20.5
184.12474	2.2
187.11188	2.3
187.14761	4.6
189.09155	1.9
189.12761	3.8
189.16391	20.7
191.17841	1.9
192.09329	1.9
193.15863	3.1
199.14842	14.9
201.16432	3.3
202.13435	1.7
217.15887	92.9
217.19173	15.5
218.11659	2.8
220.08842	2.0
220.12390	4.3
235.11275	3.9
235.14880	7.4
235.16927	100.0
235.20474	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	235.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02407	0.6
53.03945	1.7
55.01868	4.6
55.05526	1.9
55.83744	0.6
56.96575	0.9
57.03450	1.8
57.07079	9.1
61.02938	2.1
65.03931	0.8
67.05498	3.6
69.03433	1.9
69.07060	1.6
69.95689	2.5
71.05008	2.3
72.08155	1.0
76.80293	0.6
79.05498	14.5
81.03432	5.2
81.07068	2.9
83.05002	1.3
83.08625	1.7
85.02911	4.6
89.03928	0.7
91.05473	14.6
93.07047	42.0
95.04972	5.3
95.08623	3.1
97.02900	2.0
97.06536	11.9
98.21087	1.6
98.97611	1.8
99.04456	1.3
103.05479	2.9
105.03384	0.9
105.07035	8.2
107.04961	6.8
107.08599	11.4
109.02888	3.7
109.06528	1.4
109.10174	1.0
111.04433	1.1
111.08081	2.1
113.05964	0.9
115.05457	29.2
117.03417	0.8
117.07027	10.7
119.04922	1.8
119.08566	3.4
120.08110	2.5
121.06521	9.3
121.10136	1.0
123.04438	2.4
125.09628	4.5
127.03934	0.8
129.06978	1.3
131.04906	2.5
131.08578	2.0
132.95844	1.3
133.06503	5.2
133.10135	2.5
133.37825	0.7
135.04427	2.8
135.08058	31.8
136.06186	4.2
137.02350	1.9
137.05919	1.3
137.09604	1.6
139.07538	21.2
143.04929	48.6
143.08551	1.4
145.06485	5.5
145.10104	0.9
147.04416	27.9
147.08075	1.4
147.11682	1.5
151.03856	1.0
153.09108	19.2
155.07042	5.8
156.07494	0.8
157.08624	14.2
157.10022	1.5
158.99728	0.8
159.11678	1.4
161.05983	69.9
161.13231	0.9
163.03864	4.0
163.07553	16.9
164.56516	0.7
165.05554	3.1
171.04416	13.8
171.77937	0.7
173.05942	1.6
173.08224	0.7
173.13460	0.7
174.08394	0.8
175.03926	11.4
175.07516	2.3
175.11133	1.3
175.14769	0.8
177.05481	1.4
177.12758	1.7
179.03345	0.9
179.10674	6.5
181.08603	13.9
189.05476	100.0
189.09096	2.3
190.05814	0.9
191.03380	2.0
192.07790	0.9
193.04953	1.9
197.49190	0.7
199.03929	2.8
199.09657	27.6
199.11491	1.6
199.14742	0.8
200.09933	0.7
207.06546	2.2
207.10153	0.8
217.04976	11.8
217.15852	1.9
217.19490	1.0
218.05522	1.1
218.11072	1.7
223.03583	1.1
234.98996	0.9
235.06000	36.0
235.09769	2.3
235.13704	7.4
235.16913	25.3
235.20668	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0602
Annotation	HOHPDA
Peak:m/z	Relative Intensity
55.01864	0.7
57.07074	1.1
63.05670	0.5
63.36684	0.4
69.82784	2.3
73.02913	0.6
80.94254	0.5
81.07057	0.4
84.37369	0.4
91.05491	2.3
93.07049	0.5
98.51797	0.5
99.06434	0.4
103.05460	0.6
105.07044	2.8
106.70139	0.5
115.05459	27.0
117.07002	1.1
119.04939	0.8
123.04429	0.7
132.95850	0.5
133.06497	3.5
143.04935	46.4
145.06494	1.7
147.04422	22.8
147.05312	0.5
148.05138	0.6
159.12082	1.4
160.05193	1.3
161.05992	73.0
163.07518	0.8
165.05501	3.1
171.04420	15.4
173.05879	0.7
175.03922	9.5
179.10692	1.2
189.05478	100.0
193.04915	0.9
199.03897	3.7
207.06604	2.9
217.04982	10.1
227.26074	0.5
235.06013	32.2
235.16960	3.3
237.97858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43284	0.3
54.46776	0.3
55.05532	1.1
57.03442	2.5
70.50173	0.5
79.05520	1.2
81.07059	5.2
81.94917	0.3
94.04073	0.7
98.97612	0.8
103.05486	0.5
118.06557	0.6
119.03549	2.9
120.08112	4.9
132.08084	0.5
133.08888	0.4
136.06187	100.0
137.04570	0.8
146.05984	1.5
148.06219	0.3
158.99680	0.4
173.08148	0.4
176.10703	0.5
177.11510	0.8
184.65300	0.3
188.07040	0.6
190.08623	1.2
190.10793	2.1
190.12296	0.3
206.08144	0.8
213.07829	0.4
217.10735	0.7
223.29680	0.3
234.13434	69.0
235.13716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1488
Annotation	Crispine A
Peak:m/z	Relative Intensity
55.05517	0.9
57.03425	2.1
64.15994	0.5
65.95206	0.4
70.80882	0.6
70.81213	0.7
75.10812	0.4
79.05485	1.0
81.07058	4.4
91.05492	0.7
94.04088	0.6
96.54214	0.5
98.54095	0.4
98.97591	2.2
105.06999	0.5
106.06500	0.6
116.98622	0.5
118.06577	3.3
119.03533	2.1
120.08090	1.0
130.06577	0.5
132.04433	0.9
132.08102	6.5
133.08873	6.4
134.88326	0.5
136.06190	75.6
137.04585	0.6
144.08072	1.0
146.06006	15.7
146.09676	1.0
148.07568	1.0
157.08836	0.6
158.99623	1.3
160.07549	1.6
161.08359	2.6
162.09146	2.8
162.12790	2.9
173.08150	0.7
174.09097	0.9
176.07130	0.7
176.10710	9.3
177.11482	11.1
189.12721	0.7
190.08647	25.9
190.10710	1.2
190.12279	12.3
204.10208	1.6
205.10970	1.8
206.15405	1.0
216.13768	0.7
217.10684	1.2
234.13081	23.8
234.15254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
50.88173	0.8
53.03929	1.5
54.08373	0.9
55.01867	1.9
55.05493	3.5
57.07055	2.9
57.84171	0.8
59.04997	1.4
67.05503	8.2
69.03434	14.4
69.07048	3.1
69.28915	6.9
69.29344	1.7
71.04969	2.6
71.06912	1.0
74.06069	1.0
79.05493	14.6
81.06647	1.3
81.07062	14.9
83.04980	3.7
83.08613	1.8
85.06525	2.7
91.05483	19.6
93.07053	14.8
95.04974	26.8
95.08616	6.7
97.06508	1.4
99.04426	1.6
103.05473	0.9
105.03406	1.2
105.06390	1.5
105.07035	20.7
107.04953	11.2
107.08600	15.8
109.02872	1.2
109.06493	7.3
109.10172	7.2
111.04453	2.3
111.08062	2.7
115.05415	2.1
116.06223	1.1
117.07009	7.9
119.04951	1.3
119.08590	100.0
121.05739	0.9
121.06509	5.8
121.10152	15.3
123.08057	3.1
123.11691	4.2
125.09638	1.3
128.06189	1.4
129.07022	3.4
130.07777	2.4
131.08575	17.1
133.06480	7.6
133.10130	11.6
135.08037	4.2
135.11667	1.6
137.05989	1.7
137.09575	1.2
141.06982	1.9
142.07765	2.7
143.08577	5.3
144.09384	1.6
145.06479	4.3
145.10130	24.8
147.08023	3.8
147.11679	4.3
149.05939	1.1
149.09637	8.9
151.07556	1.3
151.11212	1.7
155.08556	5.2
156.09315	4.2
157.10126	9.6
158.07285	1.3
158.10919	3.3
159.08076	8.1
159.11690	12.7
161.05981	1.0
161.09569	1.6
161.13269	2.0
163.07561	1.3
163.11177	4.9
167.08595	4.0
169.10170	4.5
171.11720	6.9
172.08867	1.9
173.09634	12.8
173.13274	11.8
174.06761	1.2
174.10394	1.9
175.07552	1.2
175.11169	5.9
177.09117	3.4
182.10925	6.2
185.09676	1.3
187.07555	1.4
187.11206	8.1
187.14836	12.2
189.09085	1.7
189.12764	9.3
191.10701	2.1
191.14311	11.1
197.13303	12.1
200.11971	1.3
203.10622	1.3
205.12190	2.3
205.15979	1.1
215.10878	5.4
215.14322	23.1
215.17859	2.4
218.10893	1.1
230.63954	1.2
233.07848	2.1
233.11624	8.7
233.13596	2.6
233.15366	68.1
233.19092	3.1
233.22969	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	233.1172
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
53.03929	4.8
55.01855	5.5
55.05495	2.3
55.10645	1.3
57.07074	2.1
65.03921	2.8
67.05500	11.0
68.99783	2.1
69.03434	12.3
69.07047	5.8
69.48210	2.6
69.48618	9.2
71.04985	6.3
72.96290	1.5
77.03909	2.2
79.05498	18.9
81.03439	2.3
81.07057	16.0
83.04969	4.6
85.06541	4.8
91.04899	1.8
91.05476	29.3
93.07043	28.4
95.04977	15.5
95.08577	6.1
97.06521	2.9
99.04456	16.7
101.77219	1.2
103.05480	2.1
104.60757	1.3
105.04538	1.2
105.07032	48.0
107.04961	14.9
107.08584	8.9
108.72707	1.3
109.06512	5.9
109.10152	2.3
111.04438	3.0
115.03974	2.3
115.05495	3.4
117.07019	26.2
119.04941	55.4
119.08582	16.6
121.05668	1.9
121.06506	29.6
121.10151	5.6
123.04473	1.5
123.08120	2.1
125.05977	2.6
125.09637	1.6
128.06200	5.2
129.07034	11.6
130.07768	9.6
131.04935	3.4
131.08572	30.5
133.06508	7.4
133.10138	12.2
135.04355	2.7
135.08061	3.4
135.11690	3.0
137.06024	1.9
141.07018	6.9
143.08565	12.0
144.09325	9.0
145.06480	17.8
145.10123	89.8
147.08047	5.1
147.11659	4.6
148.08801	2.6
149.05916	2.4
149.09615	2.0
149.13214	1.6
151.07513	1.8
153.06908	1.8
154.07806	8.1
155.08612	3.1
156.09296	2.4
157.06424	2.9
157.10106	4.5
158.07260	7.8
159.08025	12.5
159.10461	2.6
159.11702	47.9
159.13016	3.0
161.05864	1.8
161.09599	2.1
161.13309	2.1
163.07539	3.8
163.11185	54.2
167.08530	2.0
169.10127	23.5
171.07993	3.1
171.11687	5.9
172.08807	4.7
173.09630	79.1
175.07553	5.4
177.09201	2.0
177.12692	2.5
179.08574	5.8
182.07289	2.9
187.11182	100.0
188.08350	1.6
189.09019	2.1
189.12758	6.1
191.10699	8.5
197.09615	19.1
200.08316	1.7
205.12202	13.9
215.10681	85.6
215.14037	2.9
215.17876	3.2
224.22995	1.5
233.11719	71.3
233.15224	12.5
233.19096	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	233.1172
Annotation	Drupanin
Peak:m/z	Relative Intensity
50.01970	0.6
51.02383	0.6
53.03941	1.6
55.01873	2.0
55.05508	2.2
67.05515	4.0
69.03426	2.9
69.07067	3.1
70.19637	2.2
71.04983	2.5
77.03915	1.1
79.05073	0.8
79.05499	12.0
81.03426	2.1
81.07065	6.0
83.04996	1.5
87.00800	1.1
91.05486	12.0
93.07045	10.2
95.04970	4.6
95.08606	2.1
97.06557	1.7
99.04467	4.1
103.05479	1.1
105.07032	23.7
107.04961	14.7
107.08595	4.0
109.06546	3.0
115.05462	2.1
115.22694	0.6
117.07026	10.8
119.04953	9.9
119.08576	8.4
121.06506	14.2
121.10149	2.9
123.04468	0.7
123.08160	0.7
125.05973	1.2
127.07536	0.9
128.06255	1.6
129.07037	4.3
130.07784	7.0
131.04939	0.8
131.08571	9.6
133.06494	3.5
133.10143	2.8
134.32396	0.6
135.04372	1.1
135.08043	4.0
135.11708	2.9
137.05969	1.8
141.06981	2.2
142.07805	1.0
143.08563	6.4
144.05772	1.0
144.09346	2.5
145.06480	5.8
145.10126	55.6
147.08049	1.7
147.11694	5.7
148.08836	3.0
149.05968	0.7
153.06999	0.9
154.07748	3.3
155.08565	2.2
156.09355	1.4
157.06613	1.2
157.10193	1.1
158.07281	4.1
159.08128	4.6
159.09279	0.7
159.11700	14.9
161.09604	1.6
163.11186	65.5
167.08669	0.6
169.10143	6.7
171.08041	1.2
171.11693	1.9
172.07469	0.8
172.08865	2.7
173.09628	100.0
175.07570	0.9
177.12766	0.8
179.08533	2.0
182.07265	2.1
187.11182	32.7
187.14771	1.3
189.12767	2.7
191.10686	5.9
197.09618	7.3
205.12218	4.8
215.10677	25.4
215.14102	1.2
233.08200	1.1
233.11732	25.7
233.15410	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	233.1172
Annotation	Drupanin
Peak:m/z	Relative Intensity
50.17678	1.1
53.03939	3.0
55.01865	2.7
55.05495	3.6
55.77094	1.3
57.03441	1.5
62.68221	1.2
65.03937	1.2
67.05511	8.3
69.03437	9.6
69.07067	4.5
70.59904	3.2
71.04985	4.9
79.05502	15.0
79.38543	1.1
81.03415	1.8
81.07055	8.0
83.04985	1.4
85.06535	3.7
91.05489	18.5
93.07055	16.5
95.04990	10.9
95.08603	3.8
97.02887	1.1
97.06519	2.4
99.04470	12.5
103.05452	2.6
105.07037	41.2
107.04968	8.6
107.08611	7.3
109.06516	4.2
111.04440	1.2
113.05969	1.8
115.03996	1.1
115.05444	3.3
116.06277	1.6
117.07021	20.5
119.04964	15.2
119.08595	14.4
121.06516	17.5
121.10158	5.6
123.08066	1.3
128.06206	2.8
129.07016	9.1
130.07788	11.2
131.04938	2.6
131.08594	23.0
131.44041	1.1
131.70143	1.2
133.06487	4.8
133.10146	9.4
135.04384	1.5
135.08060	4.0
135.11717	1.7
137.05951	2.5
139.07607	1.5
141.07004	4.1
142.07767	2.7
143.08582	9.0
144.05688	1.3
144.09348	6.6
145.06499	14.6
145.10133	77.7
147.08054	3.4
147.11717	6.4
148.08850	1.7
149.05988	2.7
149.09590	1.5
151.07579	1.4
154.07782	6.9
155.08557	4.1
156.09337	2.0
157.06593	1.8
157.10136	3.3
158.07280	7.6
159.08054	9.8
159.11705	36.1
161.05949	1.6
161.09694	1.6
163.07561	2.4
163.11191	42.6
169.10126	15.2
171.08054	1.4
171.11713	3.0
172.08824	5.5
173.09636	100.0
175.07568	3.7
177.09023	1.6
177.12669	2.2
179.08611	2.9
182.07251	2.8
187.11200	75.2
187.14832	4.4
188.08348	1.3
189.09138	2.4
189.12759	5.3
191.10660	11.9
197.09627	10.1
203.10690	1.3
205.12297	11.3
215.10696	63.6
215.14256	3.8
233.08064	2.6
233.11743	53.7
233.15254	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	233.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46375	3.7
56.96572	20.8
61.02917	4.0
61.76669	3.0
67.43112	3.7
68.75560	3.8
70.35279	13.6
72.08157	7.1
76.24377	3.5
82.06570	22.0
86.09730	17.5
88.07642	8.8
98.21239	6.6
98.97625	5.1
100.07623	100.0
100.99149	4.6
101.00880	8.8
110.97592	6.5
114.98814	3.8
119.01909	7.5
119.49407	3.4
128.98683	4.5
131.02032	3.4
133.03479	5.1
143.01918	11.0
144.98119	4.6
146.08157	6.7
161.02980	15.4
190.98711	7.4
191.04022	7.3
208.99683	8.9
224.28133	3.2
225.43657	3.8
229.43298	3.2
233.04358	7.0
233.06393	15.3
233.11353	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
53.03934	2.6
55.01865	4.0
55.05515	4.9
56.05027	1.9
57.07079	2.2
59.04980	1.6
65.03935	3.2
67.05512	13.7
68.99773	1.6
69.02475	1.2
69.03432	13.2
69.07056	5.5
69.32927	4.1
69.33344	6.3
70.86401	1.2
71.05002	9.0
72.36948	1.2
74.06075	3.2
77.03913	1.4
78.21009	1.3
79.05495	17.7
81.03403	4.1
81.07058	15.7
83.04957	4.1
85.06538	5.9
88.07623	4.0
89.07958	2.9
91.05482	31.1
93.07049	22.7
93.79351	1.3
94.94508	1.2
95.04435	1.9
95.04977	17.2
95.08604	11.0
97.06553	2.3
99.04455	21.8
103.05458	3.1
105.04533	1.3
105.07040	53.0
107.04971	15.8
107.08605	12.6
109.06516	5.9
109.10148	5.6
111.04468	2.3
111.08797	1.3
113.06063	2.7
115.03964	2.5
115.05445	5.3
116.06207	1.6
117.06225	1.8
117.07024	27.8
119.04951	40.2
119.05872	2.0
119.08584	21.4
121.06516	25.1
121.10137	6.0
123.08067	2.4
123.11672	2.0
125.06000	3.0
128.06209	4.4
129.07021	11.0
130.07805	13.5
131.04901	2.5
131.08583	35.0
133.06476	7.5
133.10147	17.4
134.07285	1.4
135.04395	4.2
135.08061	4.4
135.11685	5.3
137.05981	3.3
141.06970	6.6
142.07802	3.6
143.08574	13.5
144.05750	1.9
144.09340	12.2
145.06480	15.5
145.10127	99.9
147.08032	4.7
147.11656	5.7
148.08818	2.2
149.05960	3.3
149.13307	1.5
151.07451	1.8
153.06920	1.6
154.07806	7.7
155.08562	5.6
156.09317	3.2
157.06471	1.3
157.10202	3.1
158.07327	7.4
159.08105	14.7
159.11699	57.3
160.08870	1.3
161.09605	4.3
161.13208	1.6
163.07556	6.8
163.11195	61.9
169.10143	24.6
171.08076	2.7
171.11658	5.4
172.08836	6.9
173.09639	89.3
173.13214	4.3
174.06766	1.4
175.07541	6.3
177.09103	2.0
177.12762	3.4
179.08585	3.1
182.07242	1.9
187.11195	100.0
187.14746	6.6
187.18843	3.2
189.09023	2.1
189.12744	4.4
189.16389	1.6
191.10683	10.6
197.09595	14.2
203.10658	2.5
205.12253	18.2
215.10698	92.1
215.14244	5.5
215.17960	5.9
233.08047	3.3
233.11722	68.2
233.15245	12.3
233.19231	23.3
233.21718	1.8
233.22490	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1545
Annotation	isobutyryl carnitine
Peak:m/z	Relative Intensity
55.05514	1.1
56.96579	0.4
57.03436	1.4
58.06611	0.5
60.08165	8.2
67.53054	0.4
68.05005	0.5
69.03418	0.6
70.06593	12.1
70.93891	0.9
71.04999	2.0
72.08154	1.6
73.08492	0.6
74.06078	0.4
77.20100	0.4
79.05515	0.5
81.07050	1.8
82.03743	0.6
84.08134	0.7
85.02907	100.0
86.09728	1.1
87.10040	0.6
97.02888	0.6
98.06077	0.4
98.97598	0.6
100.07616	0.5
112.02205	0.6
116.07088	0.9
119.12732	0.4
122.05991	0.5
124.11232	8.4
127.03935	0.4
128.07072	0.7
134.90570	0.4
136.06276	0.4
142.08594	0.7
144.10194	2.7
162.50928	0.3
167.41040	0.4
167.60857	0.4
170.11769	80.8
173.08107	10.2
173.09514	0.8
176.13628	0.3
214.10876	0.6
214.14343	4.4
232.12164	2.2
232.15446	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.9
55.01868	4.5
55.05513	35.6
55.93507	1.9
56.96569	4.6
57.03440	4.9
57.07082	34.0
58.12933	1.7
59.05015	3.8
59.84875	1.8
65.03931	2.5
65.88111	2.0
67.05511	18.6
69.03082	3.1
69.03436	48.2
69.07074	18.8
71.05005	13.7
71.54711	1.7
72.08141	1.8
73.02930	3.1
79.05496	17.1
80.85567	1.9
81.03421	20.2
81.07063	49.1
83.04987	6.7
83.08626	18.4
84.04522	11.1
84.96061	3.7
85.02914	23.7
85.06552	19.2
85.10188	4.5
86.09702	2.3
87.00833	8.0
91.05492	11.4
93.07049	37.9
95.04973	4.1
95.08616	69.1
97.02897	12.0
97.06531	3.3
97.10180	10.6
98.97590	58.1
99.04450	10.1
99.08096	6.9
99.97911	2.4
102.12814	6.6
105.07041	15.9
107.08601	56.4
109.02893	12.0
109.06519	3.6
109.10175	32.8
110.97556	2.0
111.08093	5.6
111.11748	2.8
116.98624	10.3
117.07059	5.0
119.08610	7.1
121.06494	3.4
121.10148	61.4
123.08043	2.4
123.11734	10.1
125.09626	2.3
127.03922	15.1
127.07506	2.3
128.06213	3.0
129.07014	4.6
130.05003	8.0
131.08560	6.7
133.10135	5.1
134.99657	2.5
135.08054	3.8
135.11694	21.1
137.13239	10.0
139.11156	5.8
140.98671	3.1
142.07793	5.1
143.08592	9.9
145.06557	2.4
145.10107	8.3
149.13272	6.9
151.14854	3.5
155.08578	2.4
156.09348	4.5
157.01762	15.1
157.10133	10.7
158.99672	19.7
159.11728	6.0
160.03888	6.5
161.09572	2.1
165.16420	7.1
169.04408	24.4
170.10811	2.6
171.08131	4.0
171.11702	8.9
173.09633	2.6
175.02792	5.2
175.07576	5.3
177.00746	8.0
177.12827	5.4
177.16397	100.0
178.05031	3.4
180.55188	3.3
182.03391	10.5
183.17445	4.8
185.09660	3.6
185.13281	17.3
185.16556	3.3
189.09067	2.3
189.12688	2.3
191.02321	3.8
191.03859	20.8
191.54091	4.1
195.11671	4.3
195.13863	4.1
195.17465	34.9
199.02769	3.8
200.04443	3.3
201.00670	4.8
203.14325	3.9
210.06461	3.0
213.12766	7.6
213.16591	3.2
213.18478	3.0
214.14374	9.0
217.03795	3.6
219.01797	4.6
231.06551	7.2
231.10210	3.0
231.13821	26.7
231.17307	9.3
231.19553	4.9
243.01826	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	231.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	23.0
55.01860	9.0
55.05516	22.5
57.03431	7.8
57.07072	8.0
60.31354	3.6
67.05492	13.6
68.99772	4.9
69.03434	100.0
69.06724	3.5
69.07067	26.2
71.04977	16.1
71.55015	5.7
72.08132	9.8
79.05497	17.8
81.03423	56.1
81.07059	38.3
83.08605	14.1
85.02917	49.4
85.06535	11.3
87.00838	26.1
91.05481	14.8
93.07055	31.2
95.04950	7.6
95.08611	51.0
97.02912	33.1
97.06521	5.1
97.10153	14.2
99.04450	20.7
105.01868	9.4
105.07016	15.0
107.08596	36.7
109.02872	28.8
109.06496	4.5
109.10146	16.4
111.08060	5.3
117.07034	6.9
118.82555	3.7
119.08562	10.8
121.06526	5.5
121.10133	39.3
127.03928	43.7
128.06255	5.1
129.07028	6.7
131.08559	8.7
133.10127	6.7
135.08046	7.3
135.11693	13.5
139.11148	7.3
143.08601	17.6
145.04910	5.6
145.06438	6.7
145.10098	6.2
147.08023	7.1
148.30611	4.2
149.13284	6.4
151.14886	4.0
157.06471	4.0
157.10120	17.6
159.07985	6.4
160.32545	4.6
171.11728	8.6
172.08878	3.9
175.07607	8.2
177.12708	5.7
177.16374	50.4
185.09621	6.3
185.13249	20.4
189.09225	4.5
195.17389	8.4
203.06996	4.7
203.14316	6.7
213.09004	4.6
213.12749	9.9
231.04868	9.5
231.10156	6.7
231.13509	27.1
231.17406	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	231.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91164	2.1
53.03943	9.4
55.01852	3.1
55.05511	43.3
56.96565	8.4
57.03432	6.1
57.07079	55.3
58.07401	3.1
59.05009	3.5
67.05499	17.5
69.03436	56.7
69.06766	2.2
69.07078	19.8
71.04999	13.4
71.06197	3.4
71.06515	2.8
72.08167	3.4
73.02917	4.5
79.05499	19.2
81.03426	25.8
81.07058	54.9
83.04980	6.7
83.08625	17.3
84.04514	5.5
84.96037	6.2
85.02910	25.2
85.06552	18.5
87.00819	11.4
91.05479	13.5
93.07050	42.2
95.04976	3.7
95.08617	80.8
97.02888	15.0
97.06524	4.0
97.10194	12.0
98.97591	90.2
99.04459	15.4
99.08103	9.7
99.97914	2.7
102.12819	6.1
105.01867	3.1
105.07027	11.5
107.08606	51.1
109.02901	13.9
109.06551	3.2
109.10165	38.7
110.97520	3.8
111.04445	3.4
111.08093	6.2
111.11713	2.8
113.06004	2.3
115.05466	3.3
116.98643	16.8
117.07043	11.2
119.08617	9.6
121.06513	2.5
121.10150	68.1
123.11711	10.2
123.44173	2.1
125.09628	3.0
127.03908	16.7
127.07599	2.9
128.06232	3.7
128.98578	2.3
129.07019	6.7
130.04993	2.5
131.08586	6.9
133.10127	7.3
135.08080	3.3
135.11722	20.2
137.13264	9.2
139.00690	6.7
139.11185	6.5
140.98607	5.3
141.05560	2.5
141.06984	3.5
142.07814	6.7
143.08571	11.7
145.10152	7.4
149.13286	8.1
151.03360	3.6
151.14844	3.9
156.09335	2.6
157.01723	18.3
157.10162	10.1
158.99678	29.2
159.08049	5.4
159.11717	7.0
160.03944	14.1
160.54077	3.1
161.09676	4.8
161.13179	2.6
165.16443	7.9
169.04419	38.6
169.54562	6.1
170.07339	3.4
170.10953	4.3
171.08136	3.1
171.11700	10.5
173.01213	4.9
173.09660	4.2
175.02847	9.6
175.07516	5.5
175.11223	2.7
177.00757	11.3
177.12825	5.5
177.16400	100.0
178.04947	8.2
180.55180	4.2
182.03354	13.2
182.99918	2.8
183.17419	5.2
185.09692	2.8
185.13280	15.1
187.11131	3.6
191.02219	4.1
191.03888	37.4
191.54126	6.8
195.11714	3.0
195.13840	2.9
195.17484	37.3
197.07576	3.1
198.06578	2.6
199.02788	4.6
200.04503	4.1
201.00768	9.8
210.06628	5.4
213.09236	3.8
213.12868	10.7
213.18500	5.8
214.14444	3.0
217.03886	8.5
219.01816	6.8
231.06534	8.2
231.10284	5.0
231.13771	30.4
231.17314	8.0
231.19432	3.7
243.01822	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	230.1023
Annotation	N-Hydroxy-meIQX
Peak:m/z	Relative Intensity
53.03953	0.6
53.87492	0.6
55.01872	0.7
55.05505	1.3
57.03449	0.7
57.07079	1.1
58.69385	0.6
61.30116	0.6
67.05505	2.2
69.03407	3.4
69.07071	98.0
70.02957	3.8
70.06590	2.8
70.78604	1.2
72.08154	1.4
74.02441	24.5
79.05503	1.2
81.03424	1.3
81.07062	0.8
84.04488	0.6
84.08153	2.0
85.02922	2.1
85.06506	0.6
86.06074	1.8
86.09718	2.5
87.04469	0.9
88.03995	44.7
95.04967	1.2
97.02897	2.0
97.06526	6.2
98.02441	0.9
98.06081	1.5
99.00826	1.0
102.05555	1.5
109.02909	0.9
111.04443	0.8
114.09175	2.5
115.07578	1.1
116.03456	20.1
124.07603	1.4
126.09259	0.7
127.03988	0.7
129.10266	1.2
130.06479	0.8
134.04495	100.0
140.10698	2.1
140.14372	1.7
147.04428	1.4
148.06087	1.3
152.07094	2.2
158.09619	2.1
166.08643	10.5
184.07768	1.3
184.09709	7.3
186.14900	6.5
194.08076	1.5
203.85220	0.7
212.09167	8.6
212.11317	1.1
212.16473	0.9
230.05557	3.0
230.10243	74.9
231.02904	3.4
231.11209	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	230.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01875	0.9
55.05532	0.8
57.46143	0.6
65.94682	0.7
67.05515	1.7
69.03416	1.1
69.07069	100.0
70.02946	3.6
70.06601	0.9
71.46854	1.4
72.08158	0.7
74.02443	20.3
81.03389	0.9
81.07039	0.8
83.04970	0.6
85.02900	1.6
86.06086	1.0
88.03993	41.2
92.13789	0.7
95.04958	1.3
97.02919	0.9
97.06525	5.4
97.28246	0.7
98.06046	0.6
102.05560	1.3
109.02857	0.6
114.09176	0.7
115.07561	1.5
116.02660	1.2
116.03460	19.6
116.57487	0.8
120.90375	0.7
124.07610	1.6
127.29311	0.6
134.04491	96.2
140.10706	1.3
145.89063	0.6
152.07098	1.8
158.09612	1.2
166.08653	10.0
180.03729	0.6
184.09692	8.4
186.14957	1.3
198.07623	0.7
212.09195	7.5
212.11217	1.1
230.10237	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	230.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	26.3
57.03438	1.0
60.08178	0.5
61.02935	0.9
69.03439	1.1
70.06596	2.8
70.22610	0.6
70.22994	0.8
70.98141	0.5
71.06927	0.7
71.95262	2.3
72.08163	0.4
72.96055	2.2
73.02923	1.5
74.97610	0.3
81.03414	0.5
82.06586	0.8
83.97643	1.1
84.08154	0.6
84.96039	1.4
85.02916	1.3
86.06071	0.4
86.09715	4.1
97.02901	0.8
97.06523	0.4
97.99168	0.6
98.06113	0.3
98.97591	100.0
99.97918	0.5
100.07616	1.5
101.00873	0.7
110.97591	2.0
114.05472	0.4
114.06688	0.4
116.00221	2.0
116.07127	0.7
116.98631	37.3
119.01855	1.0
120.02028	0.5
121.82933	0.3
124.00746	0.8
126.02283	1.3
128.98647	1.4
131.00217	0.5
134.01244	1.1
134.99664	8.1
140.00221	0.8
140.03836	2.8
140.10709	8.4
142.05411	1.9
143.00195	0.5
143.08986	1.3
144.03436	0.5
146.99652	0.6
153.00735	0.6
153.02156	0.4
158.04915	3.1
158.99716	0.9
160.06476	3.2
160.52380	0.3
170.04933	2.3
170.99654	0.5
171.03317	3.6
174.03619	0.4
174.99139	0.4
176.06038	0.7
178.07571	0.5
181.52863	0.3
182.19385	0.3
186.11270	4.3
188.06009	3.1
189.00746	1.0
189.04347	11.2
202.07494	0.8
203.05867	0.6
206.07019	9.8
207.01797	0.7
207.05409	3.2
212.05891	1.2
212.12848	0.5
213.04533	0.4
224.08073	7.1
229.08534	0.4
230.07002	15.4
230.11572	0.6
230.13831	1.1
230.15829	6.2
231.05397	2.5
248.08081	19.5
249.06342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.01852	1.1
55.05514	8.0
57.03412	2.5
57.07048	1.8
57.24801	0.5
65.03910	1.0
67.05180	0.8
67.05505	12.8
68.05816	2.2
69.03402	2.0
69.07073	9.1
69.41669	4.3
70.06570	2.2
71.04997	14.6
72.08132	0.8
73.06555	0.6
79.05488	6.7
81.03396	1.0
81.07058	26.2
82.12720	0.6
83.04954	2.4
83.08624	6.3
85.06555	3.6
87.04448	1.7
91.05473	9.4
93.06477	0.8
93.07045	14.2
95.04964	6.9
95.08608	31.3
96.05312	5.6
97.06534	4.1
97.10136	1.5
98.21559	1.0
99.08073	2.3
101.06003	3.7
105.07033	14.6
107.08596	16.6
109.06480	1.6
109.10152	13.9
111.04448	0.7
111.08093	3.6
115.05431	2.3
115.07585	4.0
116.07070	1.0
117.06962	0.8
118.06541	1.0
119.08582	24.4
120.28723	0.7
121.10140	9.7
123.08046	1.2
123.11707	5.1
125.09640	0.9
127.07545	1.5
129.05489	1.0
131.08577	1.2
133.10138	20.9
135.11691	6.8
135.81226	0.6
137.09555	1.9
137.13258	5.2
139.11200	0.7
141.09073	0.7
142.06500	2.0
144.08063	1.1
146.06030	3.1
147.11674	7.9
149.13286	5.2
151.11160	1.4
153.12831	0.7
155.07022	0.6
159.09203	0.7
163.13501	0.4
163.14816	12.6
167.07085	1.1
168.06937	0.7
169.07573	0.8
169.12215	3.3
175.11057	0.8
175.14832	28.8
181.15887	1.6
182.08340	1.3
183.09181	100.0
184.09712	0.8
188.07111	2.0
193.12242	1.6
193.15871	12.7
199.16936	4.5
211.08699	0.8
211.11569	10.0
211.13376	1.5
211.16936	13.0
229.09743	74.6
229.14426	2.4
229.17969	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	229.155
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01867	1.1
55.05505	0.3
56.96299	0.3
56.96568	4.7
57.03440	1.4
58.06346	0.3
58.06606	4.5
59.07375	0.8
60.07888	0.4
60.08168	6.4
61.02929	1.9
67.96255	0.2
68.05024	1.1
69.03129	0.3
69.03436	3.1
70.06599	28.7
70.98112	0.7
70.99847	0.4
71.05003	0.5
71.34305	0.5
72.08159	0.7
72.96020	0.3
73.02924	4.3
79.05470	0.3
81.03407	0.8
82.06580	1.1
82.99839	0.5
84.04510	0.3
84.96031	0.6
85.02906	3.6
85.08498	0.3
86.09700	0.5
86.99330	0.3
87.04459	0.5
89.00854	0.4
91.05486	0.7
93.54752	0.2
96.08131	1.2
97.02893	2.4
98.06068	0.6
98.97591	8.6
99.04462	0.6
100.07626	2.4
101.00892	3.3
101.07973	0.4
103.03961	0.3
106.01036	0.3
107.04937	0.3
109.02870	1.1
110.01245	0.4
110.03667	0.3
110.97581	1.7
111.04424	0.3
113.00844	0.5
114.05541	3.5
114.06681	0.3
114.09193	1.5
115.00709	0.3
115.02401	0.3
116.07071	1.5
116.98645	2.7
118.01025	0.4
119.01893	4.2
119.04929	0.5
123.02920	0.6
123.04445	0.5
124.01012	0.4
124.07616	2.6
125.01688	0.3
126.09154	0.6
127.02450	0.5
127.03918	1.0
128.02313	1.1
128.52489	0.3
128.98621	1.3
131.01894	1.1
133.01698	0.6
133.02699	0.4
134.99619	0.6
135.02937	0.3
135.04344	0.3
137.02966	0.5
137.05969	0.7
139.01556	0.4
140.10713	0.5
141.03903	0.5
142.08647	27.2
143.00163	0.5
143.01944	1.2
145.03442	1.9
145.04987	0.4
146.02309	0.3
146.08102	1.1
146.99637	0.3
147.01341	0.5
147.04382	1.2
148.02142	0.4
148.03845	1.5
153.03987	1.2
154.02061	0.3
155.01901	1.0
156.98045	0.3
157.04333	0.5
158.99699	1.5
159.00996	0.3
161.02986	1.1
163.04515	0.4
165.04088	0.5
166.04729	0.5
167.01871	0.4
167.05600	0.3
168.01799	0.6
168.98132	0.3
168.99857	0.4
169.03653	1.9
170.08159	1.5
170.99695	0.6
172.97528	0.3
173.02989	0.8
174.04614	0.4
174.99202	0.4
175.02637	0.5
175.04408	0.3
177.00699	0.8
177.02332	0.5
179.06900	0.3
183.02361	0.7
183.14964	0.6
184.03127	1.0
185.02974	1.0
185.06627	1.2
186.99283	0.4
187.00957	0.6
187.02827	0.3
187.04532	8.4
189.00713	0.6
190.03075	0.5
192.02843	0.3
193.04262	0.4
199.03653	0.6
203.04033	1.0
204.02852	0.5
205.00229	1.1
205.03720	0.3
205.05556	0.3
205.90579	0.3
206.06987	1.0
207.01701	0.4
208.04941	1.2
211.03767	0.3
215.00391	0.6
217.05452	0.6
217.55783	0.3
219.01698	0.6
220.04208	0.8
220.06042	0.8
221.05060	0.7
224.08127	0.8
229.15486	100.0
230.15855	0.4
235.04593	0.4
237.02803	0.6
245.05067	1.0
247.08614	0.5
248.07982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05520	9.6
56.21247	1.1
57.03201	1.3
57.03443	18.8
59.05010	5.2
65.03939	1.3
65.36793	0.9
67.05511	100.0
68.27755	1.1
69.07059	2.5
71.04992	2.5
71.55093	1.4
79.05475	3.2
79.20359	1.2
81.07065	12.0
83.08618	9.1
85.06524	3.1
91.05503	5.5
93.07034	4.8
95.08612	8.3
98.06069	1.5
99.00811	1.0
103.03878	1.1
103.30093	1.0
103.63538	1.0
105.06997	1.1
107.04263	1.0
107.08575	3.1
109.10165	86.4
111.08056	3.9
117.65260	1.0
119.08591	8.6
131.08588	1.4
133.10139	2.1
137.09612	4.3
155.10672	6.8
159.11659	1.6
173.11754	30.5
173.13138	1.6
187.11157	1.0
229.14336	43.1
229.19405	5.5
229.23494	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	229.1437
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03946	5.2
55.01881	13.7
55.05516	83.2
56.91148	1.5
57.03438	9.3
57.07058	2.6
65.03950	1.4
67.05510	45.7
68.05838	3.5
69.03445	10.1
69.06727	2.0
69.07078	32.0
70.06599	13.5
70.74796	1.4
71.04996	21.2
72.08151	3.7
73.02898	1.7
73.06508	1.4
79.05501	17.6
81.03423	17.1
81.07069	29.3
83.04982	11.7
83.08627	100.0
85.02913	5.1
85.06550	12.3
86.09698	3.7
87.04471	3.0
87.08107	2.2
91.05492	42.7
93.06480	3.0
93.07056	45.4
95.04980	22.0
95.08617	13.6
96.05323	11.3
97.02874	2.8
97.06528	5.0
98.97566	1.6
99.04482	10.1
99.08096	4.3
105.07034	22.4
107.04962	2.1
107.07965	1.8
107.08617	13.0
109.02906	3.2
109.06537	10.1
109.10187	13.4
111.04454	10.5
111.08100	28.5
113.06015	3.1
113.09639	1.5
115.05446	2.3
116.07072	2.5
118.97561	1.7
119.08581	19.4
121.10137	5.8
123.04413	3.3
123.08092	5.6
123.11726	8.0
125.06050	2.3
125.09652	8.3
127.03944	3.6
129.05487	7.0
129.07010	4.3
129.09094	5.2
129.34813	1.6
131.08562	6.7
133.06512	3.4
133.09120	2.3
133.10143	42.5
134.04485	1.6
135.11705	4.1
137.05981	6.8
137.09616	2.9
139.03906	2.6
141.06975	2.6
142.06638	2.1
143.08568	2.2
145.10138	2.5
146.06018	3.3
147.11705	28.3
149.09631	3.2
149.13277	3.7
151.11189	25.8
155.07054	28.2
155.08405	3.2
157.10139	5.3
165.12778	6.1
167.07071	8.8
169.06523	2.2
169.12262	59.3
171.11760	1.9
175.11191	11.7
175.14832	5.2
182.08485	1.7
183.09196	77.6
183.11758	3.9
184.07628	3.6
189.12741	6.2
193.12300	11.9
193.15930	2.9
199.88571	1.5
201.12434	2.0
211.11549	17.6
211.13332	26.9
211.16913	3.4
212.12807	6.3
229.09705	55.7
229.12253	3.9
229.14301	41.8
229.17690	2.1
229.23499	2.1
230.15364	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	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
50.15133	0.9
55.05509	6.9
57.03440	20.8
57.07057	2.0
59.05000	5.3
63.72617	0.9
65.03928	2.8
67.05508	100.0
69.03432	1.3
69.07056	3.3
69.19909	9.1
71.04983	3.6
79.05466	1.7
81.07062	12.2
83.08620	6.2
85.06528	3.1
89.35571	0.9
91.05477	6.7
92.33325	0.8
93.07045	4.9
95.08610	7.5
98.74901	1.0
105.07040	1.7
107.08569	2.3
109.10159	96.9
110.10507	1.2
111.08060	4.0
119.08596	7.2
121.10121	1.2
131.08572	1.7
137.09612	3.8
155.10677	7.6
159.11697	2.6
173.11749	30.6
173.13142	1.4
185.13124	1.2
221.40991	1.0
229.12097	2.2
229.14336	38.3
229.19415	6.8
229.23466	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	229.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01863	2.3
55.05510	1.3
56.96569	40.3
57.03438	6.4
58.06604	5.3
59.04996	1.2
59.07367	1.4
60.08166	6.7
61.02643	1.1
61.02930	13.6
64.77293	0.8
68.05018	0.7
69.03432	7.6
69.07055	0.7
70.06591	30.4
70.98127	5.1
70.99846	1.2
71.01363	0.8
71.04993	1.1
71.95263	1.9
72.00563	0.6
72.08161	1.6
72.96036	1.8
73.02555	1.1
73.02922	13.8
73.06513	0.5
74.97591	0.8
77.49510	0.6
80.00263	0.8
81.03423	3.4
82.06581	1.9
82.99850	2.7
83.00764	1.5
83.97633	1.7
84.96046	3.9
85.01334	0.7
85.02912	15.1
85.08452	1.4
86.03269	0.7
86.09711	1.5
87.01011	0.7
87.04472	1.6
88.99164	1.5
89.00773	1.5
90.10715	0.5
90.83993	0.6
91.03967	1.2
92.00234	0.6
95.00715	0.7
96.01547	1.3
96.08125	1.1
97.00526	1.3
97.02291	1.0
97.02894	11.3
97.96831	0.8
97.99208	1.0
98.01296	1.2
98.03208	0.8
98.06027	0.6
98.20820	0.7
98.97591	46.9
99.04459	2.1
100.07613	4.3
101.00871	18.3
101.02558	1.2
101.07935	1.1
103.00579	0.9
103.02355	1.5
104.01283	1.2
105.03410	0.9
106.01045	0.9
109.00499	0.9
109.02920	2.9
110.01288	9.7
110.97576	10.0
111.02021	1.0
112.02840	0.7
112.99115	3.5
113.00856	1.5
114.02464	0.8
114.05517	3.2
114.06693	0.9
114.09187	1.3
115.00697	3.3
115.02476	1.5
115.03936	1.4
116.01252	1.0
116.07075	2.0
116.98631	12.8
117.01920	1.4
117.98975	0.7
118.01020	1.6
118.02871	1.5
119.01894	33.3
121.00552	0.7
124.00922	1.2
124.07592	2.6
124.95511	1.8
124.99117	1.9
125.01758	1.6
126.02399	1.5
126.98792	1.4
127.01537	0.9
127.02427	0.8
127.03949	4.7
128.02322	12.1
128.98619	9.0
130.01018	1.8
131.00154	2.3
131.01881	5.2
132.00746	2.0
133.01712	4.6
133.03445	2.7
134.02391	1.4
134.99658	2.5
135.03096	1.0
136.06073	0.7
137.01895	1.1
137.02885	5.2
137.06007	1.2
138.00810	1.0
139.01544	2.5
139.03270	3.1
140.02301	1.6
140.03839	2.4
140.98605	2.4
141.01251	1.2
142.01991	0.9
142.05424	1.6
142.08647	29.7
142.96548	0.6
143.00154	2.2
143.01875	2.2
144.00778	0.7
144.98116	0.6
144.99820	2.5
145.01617	2.7
145.03462	1.8
145.04958	1.1
146.02281	2.6
146.08128	1.4
146.99681	4.2
147.01308	1.3
147.03207	1.4
147.04337	0.6
147.53113	0.9
148.02136	3.1
148.03882	25.5
148.54018	0.9
149.01129	0.7
149.02936	0.7
150.97018	1.1
151.01593	0.7
151.02759	1.7
152.02330	1.1
152.95195	0.7
153.01254	2.8
154.02034	1.0
154.03880	1.2
155.00117	1.0
155.02888	1.3
156.03455	1.4
156.98128	1.0
157.02579	2.1
157.04494	4.5
158.04958	1.6
158.99675	7.7
159.01089	1.1
160.02083	4.1
160.06458	2.6
161.01208	1.9
161.02927	3.2
161.04234	0.6
162.01810	3.2
162.99152	1.0
163.02771	0.8
163.04419	2.1
165.00807	0.8
168.01797	3.3
168.51952	0.8
168.98116	2.8
168.99831	3.8
169.02534	3.7
169.04478	1.5
170.04955	1.4
170.08133	1.1
170.95958	1.5
170.99657	3.2
172.97568	1.2
172.99103	0.7
173.01192	2.0
173.02934	2.3
173.99561	0.8
174.01831	1.5
174.03642	0.6
174.99164	1.6
175.02657	5.0
175.04387	1.2
177.00717	2.4
177.02371	3.3
178.03169	1.4
178.04924	1.5
181.02599	2.3
181.04124	1.1
182.03374	2.8
182.04948	0.8
182.99806	0.7
183.02356	6.6
183.14925	0.7
184.03120	6.4
184.04924	2.5
184.97603	1.1
186.99159	4.6
187.00911	6.9
187.02728	1.6
187.04411	3.9
188.05969	2.4
188.97047	1.0
189.00786	3.3
189.02188	0.8
189.04294	1.5
190.03133	2.6
190.04794	1.0
190.98648	1.2
191.03912	2.2
192.02901	3.1
193.00266	1.0
193.04152	1.9
196.99356	1.9
197.01100	2.0
197.05699	1.0
198.02783	1.1
199.03712	1.2
199.05490	1.6
201.00719	2.9
202.98677	1.4
204.02884	3.9
205.00156	3.6
205.01973	1.2
205.03787	1.2
206.07014	11.4
207.01807	1.5
208.04913	1.3
208.06783	0.7
211.03531	1.7
211.05426	1.1
213.03297	4.7
214.98485	1.0
215.00360	7.3
217.00171	1.9
217.05916	1.2
219.01808	3.3
220.04153	4.8
220.06015	12.3
223.01282	1.2
224.08064	10.2
228.55910	1.3
229.06662	3.8
229.15486	100.0
230.07115	1.0
230.98109	0.9
237.02765	3.9
244.99768	0.8
247.01257	1.7
247.08690	0.7
248.08073	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10793	0.4
65.03944	3.4
67.05508	49.1
68.05038	0.7
69.07057	0.5
69.58592	3.0
70.06596	18.6
79.05499	1.3
81.07041	1.1
82.07418	0.5
85.06504	0.6
92.05833	0.7
93.07024	0.8
94.07397	0.7
95.04974	100.0
95.08627	0.7
97.06525	2.1
98.97601	0.6
105.07035	0.7
106.06570	1.1
107.08614	1.0
108.08909	0.9
113.06007	1.7
114.05527	1.4
116.07099	15.9
118.07220	0.5
119.08601	0.5
120.08984	0.4
122.10463	1.0
134.10500	0.5
136.11237	0.7
138.09973	0.6
149.13290	0.5
150.13564	0.5
152.07051	0.5
164.10658	3.3
167.06993	1.1
168.07368	3.2
174.13533	0.9
182.08025	0.5
182.11772	1.3
183.09190	1.5
192.14624	0.5
210.11261	96.6
211.11510	0.7
216.06522	0.4
228.12215	2.9
228.16460	0.8
228.23300	1.3
229.09831	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62861	0.6
55.05519	5.3
56.05841	1.0
57.03422	0.9
57.07076	1.0
59.05013	0.7
62.06073	0.9
64.09110	0.7
65.03943	1.8
67.05507	6.6
69.03436	2.5
69.07067	2.2
69.25975	1.7
69.26377	4.8
70.06577	0.7
71.04986	1.7
77.37087	0.7
79.05494	2.8
80.05046	1.3
81.03445	0.8
81.07061	3.2
82.04223	3.5
82.06578	2.3
82.07356	1.1
83.04989	2.1
83.08613	3.0
84.08971	1.2
86.06090	5.7
87.04479	6.2
91.05479	0.7
93.03418	13.0
93.07053	2.7
94.06516	0.9
94.07395	1.7
95.04977	4.8
95.08620	3.7
96.05296	2.9
96.08912	0.8
97.02880	0.8
97.06538	15.4
98.06856	1.7
99.04444	1.8
100.04777	1.0
100.11264	8.3
101.06002	0.9
101.11588	2.5
105.07043	1.4
105.91162	0.8
106.07320	1.2
107.08604	3.3
108.08922	3.1
109.06516	0.9
109.10139	1.6
110.06057	9.2
110.06787	1.5
111.04439	1.7
115.09683	0.7
120.08900	0.9
121.10129	1.6
122.06040	16.9
122.09700	1.5
122.10508	2.6
123.11729	1.1
124.11203	1.1
124.12032	1.0
125.06004	46.3
126.09965	1.2
132.08922	1.0
133.10179	1.0
134.10487	1.8
136.12155	0.9
141.11513	1.1
141.61670	3.0
142.12297	8.8
149.09663	1.0
150.09146	64.1
154.09503	1.3
158.99716	1.5
163.64423	0.9
164.14568	2.5
174.13617	1.1
178.08646	100.0
182.11777	8.6
182.15414	2.0
183.15775	0.9
192.10120	1.0
192.14714	1.7
196.09715	16.8
199.18169	0.8
200.18326	1.3
206.46094	0.7
210.11261	7.5
210.15578	2.5
211.15202	1.0
213.17610	0.7
213.68005	7.2
214.18188	2.1
228.10297	1.2
228.12337	3.6
228.16635	5.5
228.23192	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	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66637	3.5
52.54049	3.1
55.01866	6.4
55.05511	32.2
57.03441	4.3
57.07070	9.0
59.04984	3.6
62.12876	2.9
64.57790	2.8
67.05507	25.8
69.03422	7.8
69.07069	31.0
69.47543	21.1
69.60930	2.9
70.01019	2.8
70.52748	2.9
71.04974	4.4
71.28755	3.5
73.02921	4.2
79.05496	32.0
81.07066	53.9
83.04970	15.0
83.08619	23.2
85.02912	6.0
85.06546	7.7
91.05488	17.8
93.07044	54.7
95.04961	10.7
95.08596	31.9
97.06509	8.8
97.10175	9.9
99.08096	6.7
100.11253	4.8
105.07037	17.7
107.04942	13.5
107.08599	100.0
109.06539	16.8
109.10160	22.3
111.04447	5.6
111.08067	13.5
119.08577	23.9
121.06509	11.0
121.10143	57.4
123.08058	13.2
123.11674	8.8
125.05991	21.2
125.09608	14.4
127.07569	3.7
129.07060	3.8
131.08577	13.4
131.11945	4.1
133.10146	21.3
135.08067	16.6
135.11684	14.2
137.09644	8.2
137.13269	3.9
139.07553	11.4
141.09088	5.4
145.10104	9.1
147.11691	7.6
149.09628	34.6
149.13269	12.3
151.11191	22.2
153.09111	18.2
155.08580	12.0
162.73289	3.3
163.11162	8.5
163.14832	82.7
167.07071	9.3
167.10649	5.8
173.09663	16.0
173.13264	25.8
177.05482	5.2
181.15953	4.4
191.10654	31.8
191.14302	59.8
209.08000	3.9
209.15321	35.3
215.60181	3.4
227.12796	10.4
227.16309	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03946	4.0
55.01867	4.6
55.05510	18.7
56.29341	2.6
57.03431	8.2
57.07066	8.0
67.05507	32.8
69.03425	15.5
69.06724	3.6
69.07069	36.0
69.65293	15.9
71.04993	12.7
73.02911	4.7
76.34108	2.5
79.05496	25.0
81.07061	63.5
83.04976	9.1
83.08615	9.6
85.02888	4.4
85.06550	13.6
87.04466	8.3
91.05492	25.2
93.07046	65.7
95.04974	15.8
95.08606	39.5
97.06537	18.7
99.04457	5.5
99.08096	9.6
100.11249	10.4
101.06017	2.6
105.07040	31.2
107.04939	11.6
107.08598	100.0
109.06503	27.9
109.10155	36.1
111.08070	9.4
111.11706	5.2
113.09671	3.0
117.07019	4.4
117.87670	2.4
119.06042	2.7
119.08570	31.0
121.06497	14.5
121.10147	90.8
123.08080	26.3
123.11703	43.5
125.09616	7.9
129.06996	5.4
131.08574	25.6
133.10127	44.9
135.08090	12.3
135.11671	16.6
137.09645	25.1
139.07539	4.7
139.11174	11.2
140.04762	3.4
143.08481	3.1
145.10143	19.4
147.11696	18.3
149.09631	38.3
149.13252	40.8
151.11197	39.0
153.09105	6.7
153.12682	2.8
155.07043	6.6
155.08565	14.6
155.10619	3.2
158.10896	5.2
161.13240	6.3
163.11151	7.4
163.14833	26.2
165.12698	6.8
167.07025	8.9
167.10686	50.2
169.57738	2.6
173.09680	17.2
173.13266	39.8
179.14331	3.2
181.04947	5.8
191.10670	35.5
191.14313	48.9
209.08167	5.3
209.11737	9.8
209.15359	25.8
227.09048	4.7
227.12769	9.5
227.16383	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.01574	2.3
51.02372	2.7
53.03918	7.0
55.01881	12.9
55.05512	53.4
57.03426	15.4
57.07046	9.6
57.07573	2.2
59.04980	7.2
61.02898	3.9
65.03913	9.6
67.05506	57.3
69.03432	24.2
69.07072	45.6
70.06574	4.4
70.83692	5.0
71.04987	28.7
71.08581	2.2
73.02919	36.8
77.03931	2.6
79.05495	55.3
81.03415	19.4
81.07061	79.1
83.04982	42.0
83.08616	21.9
83.18491	2.0
85.02907	19.5
85.06545	19.7
87.04441	8.1
91.04980	2.8
91.05482	37.1
93.03345	4.0
93.06494	4.2
93.07045	76.8
95.04973	43.0
95.08609	77.1
97.02857	7.2
97.06540	21.8
97.10129	8.8
99.04414	7.7
99.08060	6.8
100.11251	18.2
101.06036	19.8
103.05438	6.0
105.06403	3.5
105.07037	45.2
107.04957	20.0
107.08597	100.0
109.02849	7.9
109.06526	19.4
109.10159	44.1
110.03665	3.7
111.04385	4.9
111.08089	18.7
111.11658	3.8
113.05975	3.1
115.05411	3.1
115.07536	2.7
116.07084	5.2
117.06991	10.5
119.08578	26.6
121.05746	2.4
121.06506	23.4
121.10146	58.0
122.79743	2.4
123.04418	14.1
123.08056	14.7
123.11727	23.1
125.02331	2.7
125.05952	5.3
125.09607	16.2
127.03908	2.5
127.07491	6.1
128.06181	2.4
129.06999	2.9
131.08582	40.1
133.09229	3.0
133.10133	32.1
135.08066	26.7
135.11681	19.6
137.09592	10.7
139.07489	3.2
139.11172	11.4
140.04683	41.6
142.02625	4.6
143.08574	3.0
145.10120	24.6
147.11696	21.6
148.05124	6.4
149.05920	9.6
149.09625	20.4
149.13268	29.2
151.11192	12.3
152.49867	2.1
153.05498	9.9
153.09108	14.0
153.12691	3.4
155.07050	70.4
155.08411	7.4
155.10567	3.5
158.10869	3.8
161.13205	6.0
163.11115	9.0
163.14830	28.5
165.12704	3.6
167.05647	2.7
167.07047	54.2
167.10611	4.4
167.14311	6.6
171.06516	2.8
171.10104	3.2
173.09567	6.2
173.13257	39.1
177.05464	13.7
179.06989	2.3
179.14331	4.0
181.04959	83.8
181.08659	6.2
181.12119	2.9
181.15808	2.4
184.05170	7.9
191.06956	3.0
191.10689	15.5
191.14319	38.2
194.05673	6.9
195.06561	11.0
199.07349	2.4
209.08089	45.3
209.11568	5.1
209.15318	48.9
210.11278	21.9
212.04665	11.9
227.06960	19.9
227.09056	27.9
227.12814	4.8
227.16345	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03941	3.4
55.01871	7.9
55.05511	24.8
56.35486	1.4
57.03430	6.2
57.07076	9.2
59.04988	3.8
61.02900	1.6
65.03919	2.5
67.05175	2.0
67.05508	32.4
69.03078	2.2
69.03431	33.6
69.07072	39.8
69.63129	3.9
69.63538	5.2
71.04996	37.8
73.02908	1.7
73.06542	1.9
75.04497	1.6
79.05068	2.6
79.05495	43.9
81.03433	10.3
81.07059	67.4
83.04983	21.6
83.08623	17.7
85.02880	1.5
85.06535	11.7
86.09692	2.1
86.14495	1.4
87.04488	1.5
91.05485	20.5
93.07043	52.6
95.04971	42.3
95.08607	50.2
97.02843	1.5
97.06531	17.4
97.10170	20.7
99.04441	9.6
99.08109	8.8
100.11259	8.4
101.06039	2.3
103.05464	2.6
105.07040	24.0
107.04928	5.8
107.08598	100.0
109.06502	17.9
109.10159	40.0
109.10819	0.9
110.07227	1.8
111.04443	1.7
111.08089	24.6
113.05985	2.0
115.07555	10.4
117.07005	5.3
119.06068	2.0
119.08585	13.5
121.06524	16.1
121.10152	44.6
123.04409	1.6
123.08065	11.6
123.11711	14.6
125.05968	6.1
125.09628	34.1
127.07514	2.8
129.09111	4.8
131.08572	15.8
133.10127	26.8
135.08054	26.8
135.11702	17.5
137.05981	3.1
137.09618	12.8
137.13237	1.8
139.07526	6.1
139.11172	4.9
141.09132	1.8
143.08524	3.0
143.10677	6.1
145.10117	8.3
147.11687	17.4
149.06006	2.3
149.09624	19.2
149.13252	21.2
151.07530	1.9
151.11208	24.6
153.09116	21.4
155.07030	2.7
158.10965	3.4
161.13246	2.1
163.11169	13.6
163.14839	31.6
165.12779	10.8
167.07072	18.6
167.10713	5.0
169.08617	13.0
170.25023	1.4
171.10197	2.5
171.11615	2.3
173.13268	30.5
177.05449	5.7
181.05000	3.2
181.12204	3.7
191.10706	4.2
191.14297	45.4
209.08104	3.3
209.11690	3.3
209.15349	33.1
227.12686	4.4
227.16315	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
50.77867	1.4
50.79241	1.4
51.78288	1.3
53.03933	4.6
55.01864	4.1
55.05275	1.5
55.05516	22.8
57.03420	5.5
57.07075	8.6
59.05004	4.2
60.14178	1.4
61.00690	1.3
61.02913	1.5
65.03955	1.5
67.05182	1.8
67.05515	31.1
67.85164	1.4
69.03436	42.2
69.06730	2.6
69.07075	38.9
70.70399	3.5
71.05000	32.5
79.05495	42.2
81.03424	11.4
81.07064	57.3
83.04986	19.5
83.08624	16.4
85.06532	4.8
87.04458	2.0
89.59005	1.3
91.05478	19.3
93.07053	54.6
95.04947	7.5
95.08615	48.6
97.06543	11.9
97.10183	21.7
99.04453	2.0
99.08119	8.3
100.11227	1.6
101.06021	2.1
105.07037	23.0
107.04935	5.4
107.08603	100.0
109.06528	14.3
109.10167	41.0
109.21466	1.5
111.04495	2.3
111.08086	22.1
115.07603	12.2
117.07011	5.7
119.08595	9.0
121.06528	14.3
121.10149	36.8
123.08091	12.5
123.11726	12.2
125.06008	2.3
125.09641	31.1
129.09117	4.5
131.08572	15.8
133.10133	17.3
135.08063	27.1
135.11722	11.7
137.09641	13.8
139.07565	3.8
143.08578	2.9
143.10672	6.0
145.10132	4.9
147.11710	17.5
149.09624	19.7
149.13281	19.3
151.11192	28.6
153.09108	10.9
158.10912	2.7
161.13364	3.2
163.11227	2.0
163.14836	31.9
165.12767	10.4
167.10745	2.9
173.13290	30.6
191.14319	49.9
209.08116	1.9
209.15392	25.0
227.16422	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	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03956	1.7
55.01871	6.3
55.05514	8.8
57.03431	2.3
57.07069	1.2
61.02931	1.3
65.03947	3.1
67.05183	0.5
67.05505	15.9
69.03423	4.4
69.07065	5.8
70.28101	0.6
70.48317	2.0
71.04995	6.5
72.08154	2.3
73.02918	11.2
77.03958	0.6
78.04707	0.8
79.05494	17.5
81.03415	4.2
81.07064	13.4
83.04976	6.4
83.08616	3.1
85.02898	4.5
85.06544	2.6
86.09704	3.6
87.04461	1.1
89.03931	0.9
91.05477	15.0
93.03407	1.2
93.07043	17.3
95.04970	17.3
95.08611	5.5
97.02895	2.2
97.06529	9.4
97.10162	0.9
98.20793	0.7
98.97585	1.8
99.04454	1.8
99.08075	1.3
100.11264	18.4
101.02405	0.9
101.06063	1.1
103.05452	3.5
105.03415	0.7
105.04545	1.0
105.07027	7.8
106.04205	0.9
107.04957	21.9
107.08588	12.0
107.09286	0.9
109.02892	1.7
109.06528	7.3
109.10158	3.3
110.03689	1.1
111.04446	3.8
111.08074	1.9
113.06023	1.7
115.05489	1.2
115.07584	0.6
116.98592	0.6
117.07020	8.9
119.04959	0.8
119.08582	7.4
120.05709	0.9
121.06506	12.0
121.09307	1.2
121.10152	17.9
121.11034	0.9
122.03631	1.0
123.04469	5.9
123.08083	2.3
123.11681	1.2
124.05195	3.4
125.02376	1.4
125.05992	3.6
125.09612	3.1
127.03920	1.1
129.07002	6.8
130.07864	0.9
131.04926	3.7
131.08571	16.6
133.02795	0.6
133.06444	0.9
133.10114	3.1
134.03613	0.6
135.04443	1.2
135.08090	3.6
135.11700	4.3
137.05972	5.2
137.09624	2.3
139.03943	0.9
139.07552	6.4
140.04691	14.4
141.05519	0.7
142.02579	1.0
145.06464	4.0
145.10130	21.8
145.11278	1.3
147.04483	0.7
147.08052	3.5
147.11705	1.5
148.05220	1.6
149.05989	9.9
149.09621	9.8
149.13260	1.1
151.03868	0.9
151.07579	1.0
151.11185	1.4
152.04716	1.2
153.05492	2.7
153.06992	2.1
153.09134	1.6
153.12744	0.9
154.31621	0.7
155.05775	1.1
155.07043	22.3
155.08559	33.1
155.10545	1.2
159.04405	1.6
160.02510	0.7
163.07520	2.1
163.11208	13.3
163.14844	2.2
164.04727	1.2
165.05463	5.9
165.09178	0.8
166.06334	1.0
167.07045	39.1
167.10672	4.1
171.06567	1.1
173.09624	46.3
173.13258	2.1
177.05470	12.5
178.06264	0.6
179.07056	2.8
181.03487	0.4
181.04968	29.6
181.07568	3.0
181.08670	2.7
181.12228	6.5
184.05199	4.5
191.07140	3.3
191.10675	100.0
194.05736	0.7
195.06526	0.7
199.07530	2.2
203.71758	0.6
209.06314	0.8
209.08151	12.3
209.11720	19.7
209.15237	3.2
209.16676	2.0
210.11238	1.8
212.04689	6.9
216.06494	1.2
227.07085	9.5
227.08987	8.6
227.12779	24.5
227.16365	4.7
227.17624	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	227.1278
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
55.01874	23.1
55.05518	10.6
56.51549	1.5
57.03427	4.6
57.07068	6.1
65.03948	1.5
67.05504	18.4
67.51254	1.4
68.81161	1.5
69.03428	5.2
69.07070	20.5
69.80723	1.5
70.42546	3.6
71.04984	8.4
72.61486	1.2
73.02898	1.9
76.65386	1.4
79.05497	17.9
81.03464	1.5
81.07059	26.6
83.04964	4.4
83.08619	4.5
85.06540	21.5
91.05463	10.8
91.51009	1.4
93.07049	36.1
95.04977	13.2
95.08611	26.7
97.02916	1.5
97.06538	21.3
97.10188	4.1
99.04464	11.4
99.08100	3.4
100.11262	3.7
101.06051	1.4
105.07030	24.3
107.04939	4.8
107.08598	59.7
109.06516	11.3
109.10167	8.4
110.58140	1.6
111.04417	1.9
111.08072	4.3
113.05997	8.3
115.07623	1.7
117.07027	3.1
119.08588	11.6
120.42689	1.5
121.06529	12.3
121.10152	46.1
123.04445	3.8
123.08076	12.7
123.11726	7.3
125.02330	1.9
125.06005	7.4
125.09647	7.2
127.07574	1.8
131.08580	5.6
133.06549	2.6
133.10158	4.6
135.08084	10.0
135.11707	13.7
139.07568	2.3
139.11200	4.3
145.10110	16.0
147.11700	4.3
149.05983	2.6
149.09625	100.0
149.13165	2.3
151.07512	12.2
151.11157	1.6
153.09096	6.0
155.07016	3.5
163.11186	39.6
163.14827	15.5
167.07076	11.6
167.10695	12.6
169.08615	94.9
173.09608	5.0
173.13284	3.1
177.09090	2.7
181.04993	2.1
181.12244	19.3
181.15854	5.2
185.11720	3.7
191.07024	2.3
191.10677	23.1
191.14325	6.1
199.08704	2.6
209.08003	4.3
209.11696	17.1
209.15202	8.0
227.09036	5.0
227.12756	17.5
227.16295	4.1
227.18073	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	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03949	1.9
55.01638	1.0
55.01861	4.9
55.05510	6.0
57.03439	12.8
57.07081	2.4
58.21347	0.6
59.05001	0.9
65.03941	2.9
67.05505	17.2
69.03423	5.0
69.07063	9.4
70.39664	0.7
70.40013	2.4
71.01348	0.7
71.04990	5.2
73.02921	9.1
73.54356	0.6
79.05492	19.2
81.03425	1.1
81.07057	23.4
83.04985	6.4
83.08617	2.5
85.02913	2.9
85.06542	5.0
86.09712	1.0
87.04469	4.3
90.90273	0.7
91.05479	13.5
91.06018	1.1
93.03403	1.0
93.07044	25.1
95.04967	13.8
95.08608	12.6
97.06533	11.3
97.10188	1.3
98.97559	0.8
99.04468	2.8
99.08107	1.6
100.11274	6.7
103.05467	1.1
105.03436	1.1
105.07037	12.2
106.05785	0.7
107.04217	0.8
107.04960	20.1
107.08595	23.9
109.06520	10.3
109.10156	9.5
111.04446	2.5
111.08140	3.4
111.11679	1.3
113.06000	2.1
117.07020	8.3
119.08595	10.2
121.06525	5.2
121.10145	35.0
123.04402	3.4
123.08073	6.5
123.11716	13.8
125.05981	2.1
125.09607	3.6
129.07005	7.6
131.04924	1.9
131.08580	18.0
133.10139	10.5
135.08076	5.1
135.11710	8.5
137.06010	2.7
137.09621	6.7
139.07536	1.7
139.11211	1.9
140.04695	9.0
143.08559	2.4
145.06476	3.9
145.10130	24.0
145.11285	1.1
147.08046	2.4
147.11702	5.7
149.05977	1.6
149.09621	15.2
149.13278	6.6
151.11198	12.4
153.05486	8.9
153.07050	2.2
153.08981	1.5
153.12779	1.2
155.07054	15.6
155.08565	35.0
158.10866	1.2
158.99637	0.8
161.13243	1.2
163.11186	13.3
163.14841	4.7
165.12778	1.8
167.07051	8.0
167.10681	22.4
173.09622	47.0
173.13226	9.3
174.09854	0.8
177.05501	1.9
179.14371	1.1
181.04973	21.1
181.08725	1.7
181.12201	4.8
191.10667	100.0
191.14258	10.5
209.06671	0.4
209.08122	15.1
209.11711	20.2
209.15198	6.4
225.53169	0.7
227.09401	6.1
227.12770	28.4
227.16077	7.3
227.19812	0.8
229.76654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Stagonolide
Peak:m/z	Relative Intensity
51.02346	0.6
53.03938	1.8
55.01873	5.7
55.05266	1.0
55.05515	11.3
57.03424	2.2
57.07071	0.8
59.84453	0.6
65.03934	1.2
65.32700	0.6
67.05186	0.9
67.05510	14.7
69.03407	1.5
69.06730	0.8
69.07074	8.0
71.01236	0.5
71.05001	3.7
73.02922	1.6
77.58847	0.6
79.05498	24.4
81.03429	3.3
81.06587	1.0
81.07060	17.2
81.54689	0.6
83.04980	4.5
83.08623	9.7
85.06535	1.3
91.05490	8.2
93.07050	37.4
95.04977	6.7
95.08613	42.7
97.02898	3.9
97.06519	3.9
97.10165	1.2
99.04478	5.2
100.11273	4.0
103.05453	1.1
105.07030	6.6
107.04959	9.3
107.08601	25.4
109.06517	2.0
109.10130	2.7
111.04432	1.7
111.08086	1.0
113.05985	0.8
114.77793	0.6
117.07018	8.6
119.07797	0.8
119.08582	10.0
121.06523	7.1
121.09324	0.9
121.10151	14.1
123.04391	0.6
123.08045	0.9
123.11720	0.6
125.06002	3.5
125.09635	0.8
129.06967	0.9
130.07774	1.4
131.08577	1.3
133.10139	2.8
135.08031	1.5
135.11700	44.8
137.05952	0.8
139.07518	1.2
143.08549	1.4
145.10130	28.4
149.05994	0.7
153.12741	1.8
155.07072	0.7
163.11191	63.8
167.07036	5.1
171.07942	0.7
171.11708	1.4
173.09599	1.0
177.05457	1.4
181.04916	0.9
181.12247	16.1
191.10658	0.8
191.14307	0.6
199.11156	0.9
209.09969	0.6
209.11760	2.5
227.10835	4.6
227.12772	100.0
229.37273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
52.71723	1.9
53.03930	3.2
55.01873	17.4
55.05273	2.6
55.05510	30.0
57.03440	16.5
57.07059	7.5
59.04983	2.7
65.03922	3.9
65.85326	1.7
66.43340	2.5
67.05508	31.1
69.03406	8.4
69.07064	30.6
71.04996	15.6
71.08630	2.0
71.55412	3.2
72.93768	2.8
73.02905	4.7
73.06570	2.2
78.60186	1.9
79.05493	37.9
81.03389	7.5
81.06599	2.9
81.07058	52.2
83.04972	13.1
83.08626	22.4
85.02885	6.6
85.06563	10.1
86.09690	2.6
91.05487	20.3
93.03377	2.2
93.06490	2.6
93.07046	62.0
95.04985	20.4
95.08608	66.2
97.02869	5.5
97.06515	14.6
97.10141	5.8
98.97527	3.4
99.04453	10.9
99.08058	5.5
100.11256	28.6
100.48476	1.9
103.05435	4.9
105.07028	22.7
107.04965	15.0
107.07884	3.2
107.08595	62.5
109.06551	17.4
109.10167	17.0
111.04395	5.7
111.08069	14.1
113.06001	4.5
113.96398	5.2
117.07016	13.2
119.08572	16.1
121.06509	21.3
121.09326	3.5
121.10149	51.7
123.04447	9.9
123.08066	8.0
123.11670	8.4
125.06014	11.3
125.09592	8.4
127.07553	3.1
128.06114	2.2
129.06956	3.5
130.07759	3.0
131.04869	3.3
131.08527	6.6
133.10063	8.0
135.08072	11.6
135.10699	3.1
135.11691	61.2
137.05983	3.7
137.09554	5.6
137.13225	4.1
139.07478	4.5
139.11176	5.2
140.04645	2.4
143.08501	6.0
145.06421	3.3
145.09048	3.0
145.10129	40.3
147.11630	4.7
149.05978	11.4
149.09575	12.6
149.13228	5.3
151.07491	2.2
151.11147	6.4
153.05432	2.1
153.06926	2.3
153.09079	9.3
153.12688	3.0
155.07002	8.9
155.08507	6.3
157.10129	5.9
159.04333	3.0
163.11183	88.5
163.14801	6.1
163.42442	2.0
167.05643	3.8
167.07050	70.1
167.10637	8.4
169.08623	24.7
171.08002	4.4
171.11621	4.9
173.09554	8.7
173.13194	5.6
177.05475	19.7
181.04889	13.7
181.06459	5.6
181.12215	28.3
183.10167	2.2
185.13168	3.8
191.10677	17.6
191.12216	3.0
191.14267	10.7
191.17844	2.1
194.05780	3.6
195.10184	4.3
199.07443	3.4
199.11182	4.3
209.08055	18.1
209.11540	12.6
209.15030	14.9
209.18748	1.9
221.32899	1.8
227.07060	10.3
227.08972	7.2
227.10880	4.8
227.12697	100.0
227.16238	7.8
227.17696	16.4
227.20105	3.5
245.04494	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	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
52.14154	1.7
53.03938	7.8
55.01880	10.4
55.05258	2.9
55.05511	30.7
56.52914	1.7
57.03428	7.5
57.03694	2.1
57.07073	3.7
59.05000	4.4
65.03941	6.6
67.05502	27.2
69.03432	16.8
69.07064	24.9
70.82661	4.7
71.04987	14.1
72.51998	1.9
73.02919	42.9
76.60345	2.0
79.05496	16.8
81.03417	18.1
81.07058	33.0
82.04269	2.1
83.04979	21.8
83.08614	5.8
85.02908	15.0
85.06536	9.0
87.04491	2.4
89.06015	1.9
91.05482	14.8
93.03384	3.5
93.07051	32.0
95.04983	19.5
95.08611	28.7
96.12109	1.7
97.02889	6.3
97.06520	8.9
97.10182	3.1
99.04461	3.8
99.08083	3.3
100.11278	9.3
101.06042	10.4
105.07030	18.7
107.04961	8.1
107.08594	40.6
109.02873	8.9
109.06520	7.5
109.10163	17.3
110.03669	4.3
111.04399	2.6
111.08090	6.8
113.05968	2.4
117.07026	6.8
119.08578	12.3
121.06501	9.8
121.10151	24.2
123.04430	15.4
123.08093	7.4
123.11717	15.6
125.06019	5.0
125.09637	7.1
127.03922	3.5
127.07564	4.5
131.08597	11.7
133.10098	14.2
135.08057	15.8
135.11691	6.2
137.05978	2.4
137.09589	5.0
139.07529	4.2
139.11223	4.0
140.04695	51.3
143.08786	2.1
145.10124	7.3
147.11693	12.0
149.06003	5.5
149.09630	5.4
149.13274	14.0
151.11198	7.0
153.05469	9.2
153.09128	5.4
155.07048	83.3
155.08408	4.7
155.10622	2.6
161.13319	2.6
163.11174	3.0
163.14796	11.9
165.12686	2.4
167.07050	20.9
167.10693	2.4
167.14349	3.9
171.06592	2.3
173.08191	2.9
173.09605	5.1
173.13228	16.5
177.05547	3.8
179.07100	4.5
181.04965	100.0
181.08653	6.5
184.05182	3.7
191.10693	6.3
191.14308	16.8
209.08075	30.7
209.11710	3.0
209.15303	20.0
210.11299	6.4
212.04692	3.8
227.07014	8.4
227.09128	36.9
227.12779	3.9
227.16385	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	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03933	2.6
55.01876	7.8
55.05297	0.7
55.05508	6.5
55.08349	0.7
57.03424	1.7
57.07058	0.7
61.02919	1.1
65.03936	7.1
65.88070	0.6
67.05506	8.2
69.03423	3.6
69.07056	3.6
69.41671	5.6
70.06549	0.8
71.04988	3.9
72.02740	0.7
72.08151	0.9
72.93789	0.7
73.02916	39.2
74.61694	0.7
75.56566	0.7
76.95060	0.6
77.03918	0.9
78.04691	0.8
79.05501	6.8
81.03414	2.5
81.07059	5.6
82.04183	2.4
83.04986	3.1
83.08603	1.9
85.02912	5.2
85.06522	2.4
86.09718	3.9
91.05483	9.0
91.07988	0.8
93.03404	3.1
93.07047	7.7
95.04967	9.8
95.08576	3.7
97.02885	1.9
97.06526	4.5
97.10149	0.9
99.04450	2.1
99.08067	1.4
100.11253	18.0
101.02383	0.7
103.05453	2.6
105.04527	1.1
105.07021	5.3
106.04181	0.9
107.04970	7.0
107.08593	7.9
108.02089	1.4
109.02863	0.7
109.06522	4.2
109.10161	2.3
110.03687	4.0
111.04424	2.5
117.07007	2.7
119.04949	1.8
119.08562	3.7
121.06512	7.5
121.10154	9.3
123.04425	11.1
123.08083	3.2
123.11718	0.8
124.05213	1.9
125.02338	2.9
125.05980	3.9
125.09611	1.8
127.99902	0.6
128.06210	0.7
129.07021	1.4
131.04918	2.2
131.08575	6.5
133.10143	3.7
134.03528	0.7
135.04422	0.8
135.08049	1.8
135.11670	3.3
137.05994	3.3
137.09634	1.1
138.03114	1.7
138.06749	0.8
139.03777	0.8
139.07542	2.9
139.11185	1.2
140.04684	47.7
142.02594	2.7
145.10129	6.7
147.04449	1.1
147.11649	2.2
148.05171	1.2
149.04967	1.0
149.06001	4.9
149.09628	5.9
149.13251	2.3
151.07506	1.0
151.11191	2.0
153.05469	5.4
153.09102	1.4
155.07036	75.9
155.08458	5.2
159.04393	1.1
163.07539	1.0
163.11194	4.4
163.14815	1.1
164.05974	0.8
165.05420	1.9
166.06274	1.2
167.07047	33.2
167.10686	3.7
171.06551	3.3
173.08104	2.3
173.09618	9.7
173.13219	1.9
177.04329	0.7
177.05518	8.1
179.05676	0.7
179.07028	4.0
179.14296	1.4
181.04956	100.0
181.08519	4.7
181.12187	2.0
184.05206	2.9
191.07039	1.5
191.08917	1.2
191.10670	19.7
191.14342	2.2
194.05672	0.7
195.06570	1.9
199.07521	1.2
199.17973	0.8
209.08154	25.1
209.11534	5.1
209.15108	1.9
209.16620	2.4
210.06749	1.0
210.11340	1.2
212.04723	3.4
216.06558	0.9
222.02838	0.7
225.23775	0.7
227.07004	8.4
227.09142	26.8
227.12640	4.3
227.16309	2.7
227.17560	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	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.49567	0.6
53.03950	1.0
55.01875	7.7
55.05519	1.5
65.03947	5.5
67.05511	3.8
69.03435	1.3
69.07065	0.8
69.99076	2.8
71.04997	1.4
73.02921	42.9
77.03915	0.7
79.05500	1.8
81.07084	1.0
82.04183	3.1
83.04984	0.8
85.02911	5.0
86.09711	0.9
91.05505	3.0
93.03410	2.3
93.07072	2.0
95.04966	6.8
97.02912	1.6
97.06541	3.0
98.21472	1.0
103.05447	1.6
105.07031	1.3
107.04971	1.8
107.08611	1.3
109.06512	1.0
109.10164	1.2
110.03633	3.8
111.04417	1.3
119.04925	1.1
121.06521	3.3
121.10187	0.9
123.04420	9.6
125.02342	2.5
125.06004	2.2
137.05997	0.7
138.03130	1.9
140.04689	48.2
142.02629	3.2
145.10103	1.1
149.05986	1.8
153.05437	4.5
155.07040	73.4
163.11160	1.2
166.06203	0.9
167.07051	11.4
171.06537	3.5
173.08119	2.6
173.09566	1.4
173.13252	0.8
177.05505	2.3
179.07048	2.9
181.04965	100.0
181.08316	4.0
191.10696	2.0
195.06598	0.9
209.08104	23.2
209.15410	1.0
222.54512	0.7
227.09138	29.5
227.16405	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03945	1.6
55.01871	6.5
55.05492	2.7
57.03432	1.1
58.46796	0.7
65.03942	7.0
67.05507	5.6
69.03433	3.5
69.07079	3.5
69.68408	4.3
71.04984	1.4
73.02921	39.7
79.05501	4.8
81.03427	1.1
81.07050	5.2
82.04185	1.4
83.01339	0.8
83.04967	1.9
83.08621	2.3
85.02930	3.4
85.06541	4.9
86.09737	1.5
91.05499	6.8
93.03405	1.6
93.07047	6.5
95.04978	9.4
95.08600	2.7
97.02898	0.7
97.06550	4.1
97.10190	1.3
99.04427	0.9
99.08101	1.2
100.11272	4.1
103.05474	1.6
104.01743	0.8
105.04514	0.7
105.07040	3.1
107.04987	3.5
107.08597	5.4
108.02088	0.8
108.04543	0.6
109.06538	1.7
109.10137	1.8
110.03674	3.4
111.04477	2.0
111.08118	1.6
117.07002	1.6
119.04936	1.0
119.08583	2.7
121.06544	4.2
121.10123	4.4
123.04431	9.8
123.08056	0.9
123.11718	1.8
125.02373	1.3
125.05978	2.5
125.09645	2.8
129.07013	1.3
131.04948	1.2
131.08556	4.5
133.10155	1.4
135.08035	1.5
135.11679	1.6
137.05983	1.4
138.03134	1.6
139.07588	1.1
140.04688	48.1
142.02629	2.4
145.10132	3.7
147.11679	1.4
149.06006	1.9
149.09627	2.5
149.13351	0.9
151.11169	1.0
153.05476	4.3
153.09081	0.9
155.07037	69.7
155.08394	2.2
163.11208	1.7
163.14842	1.6
166.06102	0.6
167.07031	9.1
167.10684	1.9
171.06602	3.4
173.08141	1.9
173.09647	3.6
173.13272	3.0
177.05498	2.9
179.07030	3.7
181.04965	100.0
181.08455	4.5
191.10675	9.4
191.14293	2.5
194.05801	0.8
195.06631	0.8
209.08109	23.8
209.11473	3.2
209.15372	5.4
210.11215	1.6
227.09146	24.3
227.12775	1.4
227.16203	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	226.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
53.92526	2.1
55.01617	1.6
55.01865	5.7
55.05523	4.1
56.96568	34.4
57.03442	13.7
59.04998	3.1
59.66271	1.9
61.02932	21.7
68.50071	1.7
68.98302	3.1
69.03437	39.5
69.07059	2.2
69.57990	12.0
70.06577	10.4
71.04996	4.8
71.95265	2.7
72.08134	2.1
73.02931	24.3
73.06574	1.6
75.27554	1.9
77.00883	2.2
79.05497	3.0
81.03414	13.7
82.06605	3.8
82.99844	5.0
83.04982	2.3
84.08150	6.5
84.96032	4.1
85.02913	100.0
86.03222	3.1
86.99335	3.6
87.04476	8.9
89.00770	1.9
91.03945	3.9
95.04951	2.8
97.01393	1.9
97.02898	40.3
97.06518	3.4
98.06030	2.7
98.97592	42.4
99.04451	8.7
100.07636	14.0
101.00362	1.9
101.00896	21.5
102.00972	3.0
102.02441	2.5
103.03972	2.0
107.04935	4.0
108.02422	2.5
109.02895	12.5
110.97569	7.7
111.02941	3.1
111.04474	1.8
112.05035	3.4
112.07596	1.7
113.00873	7.1
113.54024	1.8
114.02410	2.3
115.02400	4.3
115.03915	2.2
116.98625	11.5
117.02888	4.2
117.04002	2.7
119.01920	27.4
120.02027	6.3
123.02937	3.6
124.08717	4.0
124.99136	12.1
125.06121	2.2
125.07107	7.8
125.21605	1.7
126.03642	1.8
127.00726	2.1
127.02417	7.7
127.03932	21.2
128.02289	2.2
128.98610	5.9
129.04042	2.4
131.00185	4.2
131.01913	11.9
132.03439	4.4
133.03510	2.6
135.02959	2.7
138.03423	4.3
139.02481	2.3
140.98567	3.4
141.03961	3.7
142.03482	4.4
143.00188	34.9
143.01903	18.2
143.03625	5.9
144.03432	7.0
145.01688	4.4
145.03462	29.1
145.04973	8.5
146.08144	20.7
147.08449	2.6
149.05901	2.1
151.04015	3.7
152.02287	2.1
153.03984	22.9
153.54202	2.6
154.00189	2.2
154.03847	5.9
155.01895	25.3
155.04640	7.7
157.03523	10.5
158.99619	10.1
159.01515	1.9
159.04985	8.0
161.01228	36.6
161.02933	19.0
162.03415	3.4
162.04579	3.4
163.04611	8.5
164.07445	1.7
167.01906	5.4
167.07042	2.4
168.05443	3.7
169.03500	11.3
170.95937	2.1
171.05011	4.4
173.01538	3.3
173.02977	25.8
174.04521	16.8
175.02818	3.7
175.04518	5.3
177.00725	4.5
177.05615	2.3
179.02252	5.3
180.04109	3.3
182.54922	3.9
183.03658	3.0
183.05055	30.1
183.14934	2.4
183.55144	3.1
184.03012	3.6
185.01219	11.1
185.02953	20.5
185.06601	4.9
187.02895	2.4
187.04520	38.4
188.04697	3.4
188.97072	6.1
190.04922	11.0
191.03958	3.0
192.05647	2.1
194.03348	4.2
196.04456	2.8
199.04449	3.8
201.06122	9.4
202.98639	3.7
203.02266	17.7
203.04034	29.9
203.05994	3.4
205.05562	5.2
206.98199	2.8
209.12897	22.7
211.04559	5.5
213.06071	1.9
217.05598	9.6
219.01692	3.4
221.03252	3.6
221.05087	36.7
226.05734	11.1
226.10713	5.5
226.15565	17.0
229.03836	2.0
229.05661	19.1
237.02832	2.1
243.07187	6.9
244.06769	9.9
245.05086	5.4
247.06625	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	225.2213
Annotation	2,3-Dihydrofarnesol
Peak:m/z	Relative Intensity
52.33097	1.1
53.03949	2.8
55.05512	34.2
57.03450	6.8
57.07079	28.7
59.04983	1.9
61.84547	1.2
65.03945	1.2
67.05170	2.3
67.05507	31.3
69.03416	2.1
69.07072	100.0
71.04986	5.3
71.08640	15.7
71.34946	2.3
79.05492	9.0
81.07060	79.6
83.04980	2.4
83.08623	50.7
84.04472	1.2
85.06550	19.7
85.10189	7.2
87.08586	1.2
91.05501	7.4
93.07043	11.4
95.04964	2.7
95.08607	86.3
97.02924	2.3
97.06537	3.9
97.10170	26.6
99.04468	6.5
99.08105	10.4
99.11766	1.4
101.95029	3.1
105.03405	4.9
105.07037	12.8
107.08607	6.4
109.06535	3.1
109.10162	43.8
109.99297	1.4
111.11716	30.9
113.09647	3.8
115.11208	2.4
119.04959	2.3
119.08609	6.2
121.10172	4.6
123.08173	2.8
123.11712	26.7
124.88231	1.4
125.05970	2.4
125.09626	4.0
125.13264	25.2
127.11225	1.6
129.12650	1.3
133.10136	15.5
135.08018	1.8
137.05981	2.9
137.09637	5.9
137.13269	13.3
139.14838	2.2
141.12715	2.8
143.08469	1.6
147.04401	2.4
147.11700	4.4
151.07559	3.3
151.11166	2.9
151.14847	12.1
153.09088	3.2
155.08545	1.8
161.09624	10.2
162.08917	1.5
163.11148	6.1
165.12787	2.7
167.07007	1.4
167.10617	2.3
169.10126	2.0
169.15929	2.1
178.22958	1.3
179.10620	6.4
179.17976	2.1
180.04158	2.5
181.19505	1.8
189.09084	2.5
193.12306	2.4
196.93625	1.3
197.13257	1.3
207.06497	3.2
207.10332	2.6
207.13847	5.4
207.21149	4.5
225.05620	2.3
225.09108	5.0
225.12927	2.6
225.14757	3.0
225.16634	1.8
225.22122	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	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03943	4.7
55.01864	10.0
55.05508	15.5
57.03415	5.4
57.07063	5.2
60.32312	3.5
67.05208	3.1
67.05500	29.2
69.03078	5.0
69.03430	75.0
69.07082	18.2
70.58411	7.4
71.04990	16.7
73.51806	3.0
77.03891	4.2
79.05499	20.6
81.03423	8.9
81.07056	38.8
83.04965	20.6
83.08605	7.6
85.02905	33.4
85.06527	6.5
87.04458	23.5
91.05482	55.9
93.07040	32.0
95.04973	18.8
95.08604	40.1
97.06524	12.9
99.04450	14.9
100.11263	5.5
103.05439	3.7
104.88812	3.4
105.03368	11.0
105.07033	55.4
107.04941	11.3
107.08594	35.5
109.02848	3.4
109.06512	25.6
109.10155	24.8
111.08061	11.6
117.07039	6.3
119.04960	48.0
119.08572	59.1
121.06488	11.2
121.10147	61.0
122.07304	4.4
123.04434	15.1
123.08078	30.6
123.11699	27.4
125.05979	5.0
125.09624	10.1
131.08539	5.4
133.06471	13.7
133.10135	46.7
135.04471	4.5
135.08037	10.2
135.11676	7.0
137.05978	11.9
137.09627	49.4
137.13248	3.5
139.07480	3.9
139.11179	38.7
145.10109	9.2
147.04407	46.5
147.08044	11.0
147.11685	41.7
149.02296	5.6
149.09621	45.0
151.03889	9.5
151.07568	21.3
151.11160	3.3
155.07004	3.6
156.09337	9.6
159.11703	10.6
161.09624	7.1
161.13246	39.0
163.11169	18.4
165.09114	14.6
165.12764	15.8
167.07114	5.9
167.10660	6.2
171.11667	12.9
174.10460	8.7
175.03905	68.9
177.12720	6.0
179.06961	7.4
179.14322	10.2
183.06555	6.1
183.13861	3.9
189.12752	42.1
190.29164	3.6
192.04152	21.5
195.13797	13.9
207.06543	100.0
207.10367	6.7
207.13808	80.9
225.07469	5.5
225.11099	5.7
225.14784	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	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.80642	1.8
53.03944	2.5
55.01868	4.2
55.05512	14.3
56.96580	2.4
57.03435	8.7
57.07080	9.9
59.05000	9.1
67.05509	13.9
68.95802	1.9
69.03436	8.8
69.07073	15.0
69.46716	12.0
71.04997	40.9
79.05500	13.9
81.03432	5.6
81.07065	31.6
83.04993	17.0
83.08620	11.7
85.02900	8.7
85.06554	6.6
87.04452	1.9
91.05498	22.0
93.07033	19.8
95.04977	12.2
95.08621	26.3
97.02883	2.2
97.06541	20.9
98.97579	3.3
99.04461	100.0
99.08097	6.3
101.06030	3.5
101.95052	2.5
103.73898	2.0
105.03408	14.6
105.04462	2.0
105.07041	24.7
107.04975	5.5
107.08603	49.0
109.06531	41.2
109.10157	18.0
111.04465	7.3
111.08089	5.2
111.11722	2.3
113.06036	3.3
113.09702	5.9
119.04958	6.9
119.08583	20.8
121.06509	8.5
121.10158	24.4
123.04486	2.2
123.08079	48.9
123.11718	24.8
125.06008	4.8
125.08873	1.9
125.09647	11.8
127.07577	2.6
129.05476	2.2
129.07019	2.3
131.08597	2.5
133.06468	2.5
133.10144	12.8
135.08098	4.5
135.11760	5.1
135.39740	1.6
137.05972	5.4
137.09622	13.9
137.13263	7.2
139.11203	6.8
141.09111	3.8
143.08524	4.0
145.10118	4.8
147.04434	7.7
147.08064	6.5
147.11714	21.8
149.09642	24.7
151.03932	3.9
151.07530	10.1
151.11217	6.8
152.63458	1.8
153.09109	2.6
155.08513	3.7
156.09383	2.0
160.98814	2.5
161.09633	6.6
161.13298	10.8
163.03885	2.0
163.11205	8.4
165.09167	4.7
165.12784	20.9
167.07086	3.8
167.10693	33.1
169.08794	2.7
169.10097	4.0
171.11646	2.6
175.03900	7.3
175.11180	2.6
179.07159	2.2
179.08716	2.1
179.10712	3.4
179.14331	7.4
180.04166	5.9
181.04893	2.1
181.12248	3.2
183.11725	1.9
183.12033	2.7
183.13811	40.9
189.12775	13.2
193.04926	3.7
193.12274	14.2
195.06563	2.9
207.06474	14.3
207.13814	29.7
213.04128	2.7
225.02078	2.7
225.07378	3.0
225.09038	3.9
225.10918	1.9
225.12766	5.4
225.14780	48.4
225.19783	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	225.1486
Annotation	Annuionone A
Peak:m/z	Relative Intensity
50.23840	0.5
53.03950	0.6
55.01875	0.9
55.05515	4.2
57.03449	1.0
59.05002	1.1
67.05508	1.9
69.03445	0.8
69.07088	0.7
69.25488	0.5
69.72990	2.6
71.05000	33.7
72.42974	0.5
78.78104	0.5
79.05502	3.9
81.03413	1.9
81.07061	5.5
83.04992	4.6
83.08626	6.5
85.02899	1.2
85.06554	0.7
91.05478	4.0
93.07059	2.2
95.04968	1.4
95.08632	6.4
97.06548	1.3
97.10152	0.7
98.20750	0.8
99.04462	100.0
99.08139	0.7
105.03405	1.1
105.07042	4.4
107.04949	1.1
107.08602	29.1
109.05788	1.2
109.06528	20.3
109.10165	1.8
111.04454	1.3
111.08060	1.2
113.09660	4.3
119.04953	2.2
119.08588	2.4
121.10155	8.8
123.08080	19.7
123.11713	11.9
123.12584	1.0
125.05998	1.3
125.09628	8.3
130.85857	0.5
131.08586	1.6
133.10117	0.9
137.05957	0.9
137.09612	2.0
137.13277	0.9
139.11176	2.4
141.12752	1.6
145.10129	0.6
147.04424	2.2
147.11670	5.9
148.55147	0.5
149.09630	9.1
151.07565	1.8
155.10701	0.6
161.13264	1.0
163.11133	1.1
165.09137	0.5
165.12770	11.5
167.10690	29.1
175.03889	2.6
183.06514	0.7
183.13821	34.1
189.12691	3.1
192.04092	0.7
200.53319	0.5
207.06555	4.7
207.10168	0.9
207.13873	3.9
214.15846	0.5
225.09178	0.8
225.14856	21.0
248.25400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Annuionone A
Peak:m/z	Relative Intensity
55.05513	6.7
57.07081	1.1
61.02902	0.7
65.03945	0.6
67.05524	1.6
69.03450	1.1
69.07069	1.4
69.58315	1.1
69.58727	2.4
70.83092	0.7
71.04997	35.3
74.85887	0.6
79.05496	2.9
81.03419	2.0
81.07055	5.4
83.04994	2.4
83.08617	5.8
85.02911	1.8
91.05524	3.3
93.07062	3.0
95.04986	2.1
95.08619	7.0
97.06545	2.4
97.10181	0.6
98.21433	1.1
99.04460	100.0
105.03403	1.1
105.07037	4.2
107.08600	32.0
109.06521	20.0
109.10165	2.1
113.09653	5.3
119.04961	1.3
119.08575	2.7
119.74613	0.6
121.10149	10.6
123.08078	14.5
123.11713	12.2
125.05982	1.2
125.09636	7.8
129.06966	0.8
131.08562	1.7
137.09613	2.3
137.13225	0.6
139.11197	2.9
141.12750	1.2
147.04391	0.8
147.10620	0.8
147.11702	6.6
149.09619	11.0
151.03900	6.4
151.07631	0.9
153.09319	0.5
155.08565	0.8
161.09547	0.7
161.13371	0.9
163.11229	0.9
165.09125	0.6
165.12781	10.2
167.10681	30.5
169.10080	1.0
175.03911	0.8
179.10707	0.6
183.13811	32.1
189.12758	2.4
193.04965	1.0
207.06505	1.7
207.13835	2.9
207.17284	0.7
225.09119	1.0
225.14793	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03931	4.0
55.01869	3.3
55.05506	8.6
57.03437	1.5
57.07069	4.2
59.05001	2.5
61.12863	1.4
65.03951	1.8
67.05508	30.5
69.03088	2.2
69.03432	43.3
69.06788	1.4
69.07076	16.5
69.64876	5.4
69.65305	3.7
71.05005	7.6
79.05068	1.8
79.05498	22.5
81.03404	5.7
81.07062	45.5
83.04988	12.0
83.08622	5.0
85.02903	12.2
85.06525	1.6
91.05492	12.8
93.07052	22.3
95.04969	19.6
95.08051	2.4
95.08614	30.8
97.02883	5.9
97.06539	11.6
99.04456	3.0
105.07042	44.3
107.04948	4.0
107.08595	16.9
109.06520	25.8
109.10152	16.7
110.07342	3.4
111.08083	13.1
117.07005	3.4
119.04920	2.3
119.08589	31.7
121.06548	8.1
121.09320	2.2
121.10149	32.0
122.07296	6.9
123.04435	31.8
123.08064	14.3
123.11703	13.5
125.09615	2.7
129.07004	1.8
131.08542	4.4
133.06503	11.2
133.10136	100.0
135.08026	6.5
135.11671	6.1
137.05988	10.0
137.09621	65.8
139.11214	8.0
143.08575	3.1
145.10130	7.4
147.08063	7.1
147.11694	21.1
149.09628	8.2
149.13251	1.5
151.07553	13.0
151.11169	3.3
156.09334	10.3
157.84634	1.4
159.08031	6.7
159.11719	8.7
160.08958	1.7
161.09630	3.8
161.13292	21.1
163.11179	15.1
165.12743	4.8
171.11684	18.9
174.10426	17.0
175.03853	1.9
177.12764	4.8
179.14304	5.0
189.12758	41.7
207.06506	2.9
207.13805	62.0
225.14821	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	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.25827	2.9
53.03918	2.7
55.05494	9.9
57.07063	4.8
59.46613	2.7
64.00690	2.4
67.05502	23.5
69.03410	3.6
69.07083	6.5
69.60003	19.1
71.04977	10.0
79.05482	11.0
81.07061	50.3
83.04980	9.9
85.02911	100.0
85.06537	11.6
90.91135	2.7
91.05478	13.1
93.06554	2.8
93.07043	18.1
95.04986	5.8
95.08613	76.2
97.10132	4.8
99.04458	28.2
99.08105	6.9
101.06017	2.9
105.07014	14.5
106.07699	3.4
107.04953	4.2
107.08572	19.2
109.06538	14.2
109.10146	18.1
111.08071	4.3
113.05989	8.6
113.09663	3.0
119.04922	4.3
119.08599	19.4
121.10104	16.3
123.08058	33.2
123.11715	80.1
125.05984	10.2
125.09604	5.0
131.08539	3.5
133.10132	3.5
135.11667	9.8
137.09647	5.4
137.13298	6.6
141.09142	7.2
147.08064	6.6
147.11684	11.6
149.09636	22.8
151.07576	10.0
151.11189	6.8
155.07085	3.7
161.13287	15.4
163.11182	12.3
165.12721	9.3
167.10637	6.4
175.03967	7.1
176.10626	4.0
179.14275	10.1
183.13776	5.4
189.12740	19.6
203.24742	2.9
207.06477	11.4
207.13809	33.7
225.14845	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	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03965	1.2
55.05506	4.0
57.07053	2.0
67.05507	5.3
69.03413	1.3
69.07057	3.4
69.84207	6.5
70.58090	1.1
71.04988	3.2
79.05502	4.3
81.07060	22.3
81.28217	1.1
83.04978	3.5
85.02908	100.0
85.06541	1.9
91.05456	5.4
93.07076	6.0
95.04977	2.5
95.08600	8.3
97.06516	1.6
98.21471	1.6
99.04466	3.7
105.07021	7.2
107.08605	5.9
109.06536	3.5
109.10154	13.1
119.04961	3.2
119.08572	6.0
121.06470	1.8
121.10149	11.3
123.08079	5.1
123.11714	78.6
125.05994	8.7
125.09636	1.3
131.08510	2.7
133.06403	1.4
133.10135	2.8
135.11623	1.6
137.09642	4.3
139.11124	1.3
145.10130	3.3
147.04443	1.7
147.08051	3.1
147.11674	5.6
149.09627	10.4
151.07521	4.2
161.13255	3.8
163.11327	1.2
165.12679	1.7
167.10664	2.5
170.72075	1.1
171.11713	1.5
175.03964	3.6
183.06891	1.1
189.12726	9.1
190.57103	1.1
193.05060	1.4
194.11752	2.1
207.06583	5.3
207.13789	25.5
225.12964	1.7
225.14812	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	225.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.2
55.01855	1.4
55.05494	4.4
57.03418	2.5
57.07056	4.3
60.04504	2.7
65.03937	5.1
67.05498	6.9
68.43040	1.2
68.99755	1.1
69.03416	4.5
69.07072	5.8
69.82907	7.0
71.04995	13.4
77.03921	2.4
79.05495	10.3
81.03411	1.5
81.07059	9.9
83.04980	6.4
83.08614	2.6
85.02912	2.1
85.06520	3.0
87.04436	1.6
89.03921	1.7
91.05484	60.7
92.05811	3.2
93.07040	8.3
95.04968	12.2
95.08607	8.9
97.02908	1.2
97.06521	3.8
99.03841	2.3
99.04456	38.6
103.05461	3.3
105.03397	4.9
105.04504	1.6
105.07037	10.2
106.04995	2.7
106.06561	4.8
107.04951	4.4
107.08601	20.3
108.08120	3.5
109.06527	10.7
109.10175	5.8
110.34473	1.3
113.09579	1.4
117.07037	2.0
118.04182	6.1
118.06637	1.1
119.04942	67.3
119.08579	14.2
120.04453	3.3
121.06492	3.8
121.10144	25.7
122.06031	2.8
123.04429	12.3
123.08089	15.1
123.11715	7.3
125.05988	5.6
125.09608	3.6
127.07568	1.7
131.08528	1.7
132.02069	4.8
133.02863	2.7
133.06424	1.3
133.10135	5.4
134.06013	18.9
135.04372	2.4
135.08035	3.5
135.11655	3.1
136.05183	2.0
136.07588	3.6
137.05983	3.2
137.09608	3.1
140.04680	2.6
144.04501	1.8
145.02858	1.4
145.10181	1.7
146.03673	1.4
146.06039	1.7
147.03224	2.8
147.04417	52.8
147.08041	1.6
147.11674	5.4
148.03909	5.6
149.02354	8.0
149.05981	1.6
149.09610	8.1
151.03885	3.4
151.07486	6.0
155.07019	5.5
157.03951	5.7
161.09576	3.1
161.13246	7.6
162.05496	73.1
163.03873	3.4
163.11183	15.2
164.04701	5.5
164.07068	50.6
165.05447	1.8
165.09152	2.8
165.12779	7.4
167.07056	1.9
167.10663	12.4
171.11707	2.2
175.03911	83.2
176.10710	1.5
177.01877	3.3
179.06821	5.8
179.08205	3.9
179.10664	2.5
179.14362	8.5
180.04132	4.2
180.06584	16.2
183.06505	17.3
183.13792	12.3
189.12766	8.0
190.05002	41.1
192.04181	22.7
193.04942	4.6
194.11795	2.2
195.06494	1.4
207.06506	100.0
207.07895	43.0
207.09982	4.1
207.13794	17.4
208.06056	81.3
225.07408	6.0
225.08940	5.5
225.11211	2.2
225.14844	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	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31718	1.9
70.72263	5.0
82.99846	5.7
84.69287	1.9
84.96024	2.6
101.00891	70.9
106.13988	2.1
119.01931	100.0
124.02432	11.1
126.07898	2.0
134.53500	2.0
137.02998	13.0
140.98808	2.7
142.03514	64.9
143.01884	2.9
158.99892	5.2
160.04578	12.8
161.02979	40.3
177.00999	14.6
179.04016	34.3
181.48909	2.3
182.99783	2.8
184.04561	7.4
187.99225	5.1
190.49538	10.8
199.50075	16.8
201.00883	4.0
202.00348	2.2
202.05652	3.6
210.50342	1.9
211.00931	5.1
219.02083	14.8
238.95522	9.7
243.02040	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	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01865	7.9
55.05503	9.6
56.05029	3.4
56.15171	2.5
56.96292	5.0
56.96566	62.3
57.03429	12.7
57.86987	2.9
59.04984	4.2
60.95856	3.8
61.02915	10.3
67.05512	4.4
69.03424	28.6
69.07061	5.4
69.91315	18.3
70.06577	3.1
70.98111	11.4
71.04995	6.7
72.08137	6.4
72.33635	3.2
73.02927	23.1
74.06121	3.6
79.05486	3.7
81.03416	10.6
81.07036	5.6
82.99843	4.9
83.04987	4.5
83.92016	3.1
84.04484	4.5
84.08145	8.0
84.96040	31.1
85.02908	33.3
86.09705	4.0
87.04479	5.0
88.99148	3.5
89.00760	4.0
91.05461	7.4
95.04972	4.5
95.06102	3.5
95.08605	4.1
97.02895	32.4
97.06540	4.5
97.99176	5.3
98.20853	4.5
98.97587	87.4
99.04460	12.3
99.08086	4.4
100.07621	10.9
101.00892	49.7
102.97053	3.0
105.03412	7.8
107.04966	11.3
107.87276	3.2
109.02900	6.8
109.45436	3.2
110.97591	17.3
112.99129	4.3
116.98606	27.5
117.03972	4.3
119.01921	100.0
121.06503	4.7
123.04445	4.5
124.02475	8.7
124.99192	14.6
125.05984	5.5
127.02420	3.7
127.03928	14.9
128.98616	13.1
130.01767	3.7
131.01891	5.9
133.01730	5.0
133.02779	4.9
134.99670	5.4
136.93196	3.5
136.99069	3.6
137.02921	13.9
137.05969	5.7
142.03513	61.3
143.00148	23.8
143.01903	11.6
144.03383	3.1
145.01622	5.8
145.03482	7.6
145.04948	7.0
146.08092	15.3
146.99689	4.5
147.04401	6.5
149.05966	9.5
150.05498	8.5
153.54016	4.2
154.04797	7.0
155.00153	8.1
155.01897	4.4
155.07164	4.2
157.03534	3.7
158.99680	14.9
160.04630	9.5
161.01302	23.7
161.02943	37.1
162.03474	5.4
169.04503	4.3
170.99658	4.0
173.01315	6.6
173.02905	13.1
175.02698	3.8
177.00737	9.2
179.02437	7.3
179.04004	36.6
182.03374	7.0
182.99670	19.0
183.06482	3.8
184.04529	5.3
185.01257	5.0
187.04524	16.1
188.04652	3.5
190.54704	6.4
191.03923	6.5
192.55666	6.2
193.04265	23.4
195.02090	4.9
197.03191	5.1
201.00752	21.8
202.05205	8.6
203.02251	8.2
203.04004	4.7
208.11719	3.7
219.01782	10.4
225.08981	4.3
225.12424	7.8
229.05573	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	223.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.05515	48.2
57.07081	39.5
69.07074	100.0
71.08634	19.8
71.47191	3.1
81.07102	4.7
83.08147	4.6
83.08622	62.5
85.10184	11.6
97.10180	59.9
107.90900	2.2
109.10169	2.5
111.11015	3.4
111.11723	32.4
114.96980	2.3
125.13281	9.9
149.02353	8.6
161.73199	2.4
223.16971	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	223.1328
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03929	7.0
55.01859	4.7
55.05510	7.6
57.07056	2.7
59.04984	5.5
63.38564	1.6
65.03928	1.7
67.05509	16.2
69.03083	1.8
69.03433	22.6
69.07059	6.9
70.79182	4.6
72.72353	1.5
77.03915	2.3
79.05492	11.3
81.03407	2.2
81.07060	9.9
83.04977	23.7
83.08591	4.5
85.06534	3.2
91.05481	40.5
93.07043	92.5
95.04971	20.7
95.08601	8.8
97.06503	6.1
97.98769	1.5
101.05981	3.2
103.05447	3.8
104.28018	1.8
105.04498	3.1
105.07029	15.5
107.08600	21.3
108.41550	1.7
109.06530	11.2
109.10121	5.2
111.04415	1.7
111.08055	6.5
113.06010	3.9
117.07014	9.5
119.08591	12.1
121.06500	100.0
121.10138	18.5
123.08051	2.6
125.09628	3.0
127.07560	10.5
129.07002	4.5
131.08531	10.1
133.10126	7.9
135.08034	6.8
135.11720	8.2
137.09590	5.5
139.07538	9.9
144.09320	5.1
145.10097	9.0
147.08043	6.5
147.11652	3.4
147.91191	1.7
149.06015	1.9
149.09619	25.3
149.13255	2.5
153.09129	9.4
155.10701	2.1
157.10095	3.3
159.08104	1.8
159.11690	17.4
161.09593	6.1
163.11172	8.3
165.09180	2.8
172.08842	2.8
175.11194	9.6
177.12712	9.5
179.10721	9.2
187.11241	10.1
193.12198	2.3
205.12234	23.5
223.11159	2.6
223.13284	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03947	6.6
53.65509	1.4
55.01867	4.0
55.05510	6.0
57.03423	1.8
57.07076	2.8
59.05011	7.2
67.05515	13.2
69.03432	18.8
69.07063	3.7
71.08873	2.5
71.09196	1.8
71.95988	1.4
73.52287	1.7
77.03930	3.0
79.05506	9.7
81.03392	1.4
81.07060	8.5
83.04993	24.8
83.08610	1.8
85.06516	2.7
91.05489	32.9
93.07054	100.0
95.04982	18.1
95.08637	10.2
97.06555	8.0
103.05441	4.2
105.04483	2.1
105.07040	12.5
107.04946	1.5
107.08607	19.5
109.06528	11.7
109.10140	5.1
111.04440	1.6
111.08077	4.7
113.06020	5.2
117.07014	8.0
119.08575	13.3
121.06516	96.9
121.10163	18.1
123.08096	2.7
125.09634	4.4
127.07538	11.0
129.07027	3.8
131.08588	8.3
133.10149	8.8
135.08035	8.0
135.11690	6.2
137.09628	6.2
139.07555	11.1
142.07726	1.6
143.08583	1.6
144.09340	3.5
145.06470	2.4
145.10138	12.8
147.08073	5.1
147.11769	4.9
149.05971	2.5
149.09633	29.2
149.13312	1.7
153.09094	12.5
155.07047	1.8
157.10161	4.2
159.08080	2.2
159.11697	22.6
161.09648	6.2
163.11197	9.2
165.09128	2.0
167.07013	1.8
172.08862	3.8
175.11194	8.8
177.12769	14.2
179.10698	10.4
187.11198	16.6
193.12233	3.4
205.12262	23.0
223.06178	2.7
223.13309	36.4
225.45401	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0601
Annotation	K 251-1
Peak:m/z	Relative Intensity
53.03938	0.6
55.05491	0.7
57.07052	0.4
58.58117	0.2
58.79998	0.2
59.05003	0.4
65.03922	0.3
66.61546	0.2
67.05489	0.7
69.03416	0.4
69.07063	0.4
69.31423	2.0
71.04988	0.3
78.04707	1.5
79.05502	1.5
81.03413	0.3
81.07037	1.1
82.69424	0.3
83.04967	0.5
89.03903	0.3
91.05472	1.3
93.07043	1.8
95.04945	0.8
95.08614	0.7
97.06537	0.3
105.03389	0.8
105.07050	1.6
106.04150	1.3
107.04957	12.0
107.08565	1.6
109.06521	0.5
109.10103	0.6
115.40842	0.3
117.07077	0.4
118.04162	0.4
119.04922	0.3
119.08553	0.8
120.08073	0.3
121.02831	0.4
121.06512	1.0
121.10148	3.4
123.04471	0.3
123.08026	0.4
131.08533	0.6
133.02827	0.4
133.10110	0.6
134.03629	4.1
135.04437	4.3
135.08047	0.6
135.11678	1.1
137.09641	1.7
139.07477	0.5
145.02901	0.4
145.03944	0.7
145.06537	0.3
145.10153	0.8
147.08113	0.3
149.02341	1.6
149.09563	0.5
151.07484	0.3
159.11662	0.8
161.02368	0.6
161.13303	0.3
162.03128	16.0
163.03909	7.6
163.11179	1.9
165.01790	0.4
165.09113	0.3
167.03386	0.3
167.07050	1.4
174.53680	0.3
175.11140	0.9
177.01950	0.4
177.08995	0.3
177.12750	0.6
178.02599	0.6
179.03392	4.3
180.04173	1.4
187.11221	0.4
190.02614	18.2
191.03383	1.1
191.05077	0.2
193.01387	1.6
194.02121	1.5
195.06535	1.4
204.08798	0.2
205.01222	0.3
205.12257	1.2
207.02904	8.5
208.03673	13.1
223.06009	100.0
223.13083	1.6
223.16817	0.6
224.06355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.06
Annotation	K 251-1
Peak:m/z	Relative Intensity
52.23918	0.3
53.03939	0.3
56.41747	0.3
67.05509	0.4
69.83335	1.0
77.03907	0.3
78.04730	1.8
79.05482	1.2
81.07051	0.4
83.04951	0.3
85.94176	0.3
91.05468	0.8
93.07040	0.5
95.04939	0.4
95.08645	0.3
103.05463	0.3
105.03370	0.8
106.04173	1.2
106.86030	0.3
107.04958	13.2
107.08604	0.4
119.04876	0.4
119.08582	0.6
121.06469	0.3
121.10143	0.9
123.08166	0.3
133.02835	0.4
134.03629	3.7
135.04430	4.5
135.11670	0.5
137.02298	0.3
139.07428	0.3
144.02087	0.3
145.02907	0.4
145.03986	1.0
145.10100	0.4
146.03593	0.3
149.02342	0.8
149.05959	0.5
149.09669	0.6
149.13271	0.3
152.04744	0.3
159.11728	0.4
161.02272	0.5
162.03125	18.0
163.03911	7.8
163.11159	2.6
163.96892	0.3
165.01831	0.6
167.07021	0.9
177.12787	0.6
178.02676	0.6
179.01862	0.4
179.03398	4.8
179.06993	0.5
180.04211	1.3
190.02617	19.1
191.03365	1.0
193.01306	1.4
194.02112	1.2
195.06517	1.2
205.01247	0.3
205.12263	0.9
207.00906	0.4
207.02878	8.2
207.04729	0.6
208.03664	13.4
223.06010	100.0
223.13023	1.4
224.06451	0.4
225.04317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05505	4.9
57.07062	2.3
59.04989	1.2
67.05503	12.8
69.07066	9.7
69.58409	6.5
71.04974	3.6
79.05499	6.7
81.07058	25.1
83.08611	3.4
85.06548	1.1
91.05471	9.0
93.07040	17.2
95.08612	47.7
97.06538	2.2
97.10165	2.0
105.07037	37.2
107.08603	35.8
109.06504	1.1
109.10162	30.7
111.08076	2.6
119.08585	67.7
121.10152	20.4
123.11720	10.7
125.09637	2.6
133.10136	25.2
135.11662	5.7
137.09627	2.1
145.10121	1.0
147.11691	41.6
149.13231	5.2
151.11217	2.3
161.13260	21.3
163.14830	11.3
165.12715	2.2
175.14830	25.9
175.16281	1.8
177.16339	1.7
203.17963	100.0
204.18333	1.3
221.19016	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03938	3.5
55.05509	13.3
57.03417	1.4
57.07067	4.1
59.04993	2.2
67.05509	19.3
69.07069	16.7
69.24202	12.2
71.04996	18.2
71.53942	1.1
73.06563	1.4
74.73019	1.4
75.13987	1.2
79.05490	21.8
81.07061	100.0
83.04961	2.0
83.08629	8.6
85.06552	4.0
91.05477	13.8
93.07044	42.1
95.04988	1.9
95.08611	52.9
97.06519	3.3
97.10203	5.9
99.08087	5.7
103.05475	1.4
105.07034	35.4
107.04939	1.6
107.08596	66.3
109.06510	3.0
109.10156	49.0
111.08076	3.5
111.11725	4.8
111.14900	1.2
113.09635	4.6
115.05422	1.4
117.07019	3.1
118.08195	1.3
119.08586	60.0
120.04365	1.2
121.06508	1.8
121.10146	18.4
123.08117	2.0
123.11711	24.3
125.09641	4.5
127.11211	8.3
129.06966	1.5
131.08640	2.1
132.44655	1.1
133.10130	29.1
135.08061	2.0
135.11696	96.7
137.05991	1.7
137.09607	3.7
137.13271	4.7
139.11211	2.2
145.10146	3.0
147.08081	2.5
147.11693	30.1
149.13280	9.6
151.11172	2.7
153.12701	1.2
159.11700	2.5
161.06010	3.1
161.13280	16.3
163.14906	5.8
165.09120	1.9
165.12755	1.5
175.14833	7.9
177.16408	3.4
203.06960	1.7
203.10709	1.9
203.17975	47.6
221.11673	3.2
221.15729	9.9
221.19031	65.8
221.21867	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03881	1.1
55.01815	0.7
55.05436	6.5
55.05726	1.0
56.47961	0.5
57.06996	4.4
57.07306	0.9
59.04918	2.0
59.05190	0.8
67.05421	11.9
69.06985	13.3
71.04926	1.6
71.08582	0.7
79.05411	8.4
81.06972	33.9
81.07504	2.4
83.04910	1.8
83.08534	4.4
85.06445	1.9
85.92779	0.5
91.05474	10.4
93.07047	23.1
95.04948	0.9
95.08613	47.2
95.09165	2.5
97.06451	3.5
97.10092	2.3
105.07037	32.4
105.07692	1.0
107.08601	35.3
109.06441	1.8
109.10164	35.8
111.08090	5.1
111.11632	1.8
119.08588	29.0
121.10156	17.9
123.08006	1.8
123.11710	14.7
125.09546	2.0
131.08505	0.8
133.10138	28.2
134.66530	0.6
135.10869	0.7
135.11703	7.7
137.09644	2.7
137.13210	1.8
145.10043	1.3
147.11694	41.9
149.13278	6.4
149.23007	0.6
151.11134	1.9
151.14854	0.6
161.09659	0.7
161.13260	18.8
161.14603	1.3
163.14836	8.3
165.09048	0.8
165.12743	3.4
175.14838	8.1
177.16344	1.7
203.17966	100.0
204.18265	1.0
206.10945	0.8
221.13406	1.0
221.15475	1.4
221.19032	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03939	3.9
55.01859	6.6
55.05518	25.6
56.05894	1.5
56.96533	1.2
57.03429	2.6
57.07088	8.5
57.48292	1.5
59.04991	4.0
65.03944	1.8
67.05507	24.9
69.03084	3.1
69.03435	46.7
69.07077	18.2
71.04983	7.4
71.55412	2.7
72.66748	1.6
79.05500	43.0
81.03396	2.3
81.07063	73.5
83.04984	30.6
83.08624	12.5
85.06533	6.1
91.05484	24.4
93.07046	29.2
93.55768	1.6
95.04973	11.5
95.08613	44.7
97.02924	1.8
97.06542	5.7
97.10180	3.4
99.04451	4.9
99.08106	4.6
101.89376	1.6
103.05476	3.3
105.06387	3.0
105.07039	38.6
107.04970	13.6
107.08606	33.5
109.06519	29.1
109.09468	2.7
109.10165	44.6
110.07294	2.6
110.18745	1.5
111.08073	19.6
115.05457	3.0
117.07010	7.1
119.04988	3.2
119.08591	61.2
121.02849	7.5
121.03979	1.6
121.06547	8.9
121.09328	2.6
121.10157	41.4
122.07249	4.7
123.08073	27.9
123.11694	17.5
125.09621	5.2
128.06174	2.4
129.06996	5.2
131.04950	2.4
131.08580	6.5
132.05707	1.6
133.06517	3.8
133.09250	2.6
133.10149	32.9
135.08037	6.6
135.11702	17.9
137.05977	36.3
137.08652	2.7
137.09628	35.3
138.10374	4.5
139.11229	5.1
142.07823	2.5
143.08534	5.8
145.10106	13.0
147.08076	14.7
147.10660	2.0
147.11708	20.3
149.02353	94.1
149.09589	6.6
149.13263	5.6
151.07536	13.4
151.11179	6.2
157.10156	8.3
158.06027	2.6
159.11653	8.1
161.06038	8.7
161.09695	8.0
161.13283	18.7
163.07593	2.0
163.11182	20.8
163.14836	6.1
165.06996	2.3
165.09155	8.1
165.12866	2.6
175.07538	9.4
175.11215	7.3
175.14832	15.3
177.05458	3.6
177.12839	3.0
177.16428	2.0
179.10629	2.9
179.14278	2.5
185.13235	5.6
192.15070	1.7
193.08485	2.1
193.15900	13.9
203.03519	1.5
203.06996	7.9
203.10707	7.7
203.14395	11.4
203.18011	20.3
221.04417	2.7
221.06239	2.1
221.08089	5.3
221.12027	13.1
221.15387	100.0
221.18916	27.6
239.39926	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.01875	2.2
55.05515	1.7
56.02821	0.8
56.96564	15.6
56.96840	1.0
57.03435	3.9
61.02922	2.6
63.95023	1.1
67.05505	1.9
69.03436	6.2
69.07074	2.2
69.87359	3.8
70.06611	2.1
71.04993	2.4
72.08157	1.5
73.02925	13.4
73.06550	1.9
74.06060	1.0
79.05493	2.4
81.03401	3.2
81.07040	1.9
82.02972	1.3
83.08632	1.0
84.96017	2.0
85.02903	11.8
87.04465	2.4
89.00767	0.9
91.05450	1.9
94.06561	5.0
95.04982	3.3
97.02898	9.9
97.06529	2.3
98.01296	1.3
98.06062	1.3
98.20856	1.4
98.21393	1.6
98.97593	30.1
99.04434	1.5
99.06371	1.4
99.97941	1.0
101.00764	1.5
103.30821	0.9
104.03101	3.6
107.08571	0.9
108.01517	0.9
109.02882	1.6
110.01303	3.0
110.97578	9.3
111.04445	1.3
111.08107	1.2
112.82539	0.9
112.99179	1.2
113.03658	1.3
113.06003	0.8
116.01228	1.0
116.98634	7.6
119.01806	5.3
119.04965	1.4
120.08050	1.4
123.04462	2.3
124.99148	2.2
125.01801	1.1
127.00734	1.0
127.03934	2.7
128.02347	1.6
128.98618	6.5
129.02037	1.0
130.06534	76.3
131.00198	1.1
132.04462	38.3
134.99661	1.4
137.05997	3.7
137.09602	1.0
140.02333	1.8
141.05505	2.4
143.00201	3.3
145.04996	1.3
146.02356	6.0
146.04039	1.5
146.52400	0.8
146.99649	2.5
147.03276	1.9
147.09201	1.0
148.07571	3.9
151.03842	1.1
152.02361	2.5
155.02760	4.6
155.04668	9.7
155.54831	4.7
156.03442	1.5
156.98114	1.8
157.07632	51.9
158.06024	77.7
158.99672	10.7
159.04970	1.5
159.12045	4.4
161.01239	2.7
161.02855	5.3
162.99055	1.3
164.05209	1.6
167.00272	0.9
167.50964	0.9
168.05507	2.1
170.99651	4.5
173.01195	1.2
173.02791	1.9
174.99117	1.7
175.02815	2.9
175.08687	100.0
176.07042	1.4
177.00772	5.7
179.00235	1.3
179.02148	1.0
180.03632	5.0
181.04654	3.0
182.03394	5.3
182.99651	2.1
185.01323	0.9
185.07179	1.5
186.05641	1.9
187.02780	1.8
188.55054	1.6
189.00706	3.2
189.04176	27.9
189.54358	1.7
190.04947	8.5
191.03889	17.6
191.54057	2.1
193.16048	1.1
198.04698	5.7
200.04332	6.4
200.54788	3.1
201.00798	2.4
203.08183	35.6
203.11035	1.8
203.14629	1.1
204.06619	4.6
215.02274	1.0
219.01801	6.7
221.09235	21.4
221.12260	1.5
221.15341	1.7
231.01933	1.1
237.02852	3.4
243.01822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0923
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
53.03946	0.9
55.01861	2.5
55.05498	2.0
56.96296	1.1
56.96568	21.6
57.03193	0.7
57.03444	8.1
57.07061	1.9
60.04531	0.8
61.02929	8.8
67.05507	1.1
69.03429	9.3
69.85693	0.7
70.48339	1.3
70.98097	1.0
70.99879	0.9
71.01332	0.8
71.04989	2.0
71.95270	1.0
72.08150	2.1
73.02922	19.2
74.02423	1.3
75.01862	0.8
79.05473	2.3
80.05856	0.7
81.03410	3.6
81.07075	1.1
82.01450	1.2
82.02943	1.9
82.99868	0.8
83.04962	0.7
84.08147	1.8
84.96033	2.2
85.02427	1.3
85.02908	20.5
86.09690	1.3
87.01034	0.7
87.04453	2.7
89.00770	1.6
90.05550	1.5
91.05441	1.7
93.06997	1.1
94.06583	4.7
95.00765	1.2
95.04970	1.7
97.00533	0.8
97.02898	12.3
97.06516	1.3
97.96803	0.9
98.01307	1.5
98.97589	47.7
99.04450	3.1
100.02477	0.9
100.07605	1.6
100.97173	1.1
100.97977	1.1
101.00871	5.8
101.02398	0.9
102.01572	0.9
102.96872	0.9
103.03936	1.1
103.05466	1.1
104.01300	1.6
104.05010	0.8
107.04907	1.4
109.02872	3.0
110.01295	5.6
110.07189	1.0
110.97578	11.8
111.04454	8.5
112.87818	0.7
112.99154	1.5
113.00880	1.8
115.00663	1.2
115.02320	1.1
115.03960	1.1
115.05469	0.9
116.01198	1.1
116.98630	11.1
117.02036	2.0
118.98213	1.1
119.01865	11.5
119.08665	1.0
119.51992	0.7
120.08128	1.3
121.01641	1.1
121.06508	0.9
122.01263	0.8
123.02906	0.7
123.04358	1.0
124.99120	2.0
125.01798	0.8
127.02384	1.3
127.03936	5.8
128.02325	4.3
128.52483	0.9
128.98611	8.8
129.01970	1.1
129.03989	1.4
130.06531	68.0
131.00206	0.8
131.01891	5.4
132.04454	36.2
133.01564	1.4
133.03377	1.0
134.03511	1.1
134.06007	0.9
134.99658	2.6
135.02077	0.9
135.04298	0.9
137.01759	2.0
137.02858	1.7
137.05957	2.7
138.02521	1.4
139.02385	1.3
140.00269	0.9
140.02261	1.9
141.05502	1.2
143.00198	5.3
143.01833	3.4
144.98032	1.1
145.01646	1.1
145.03464	2.4
145.04953	2.0
146.02272	4.0
146.08109	0.9
146.52475	1.1
146.99657	2.5
147.01218	0.8
147.04306	0.8
148.07585	3.8
149.01198	0.9
151.02332	0.7
152.02290	4.8
152.98601	1.2
154.02010	0.9
155.01765	1.6
155.02008	1.1
155.02904	5.6
156.98111	2.0
157.01651	1.1
157.03403	1.8
157.07623	24.9
158.06023	75.3
158.99667	14.9
159.04980	1.4
159.12000	0.8
160.00041	0.7
160.02898	0.8
161.01218	3.6
161.02908	9.4
162.03622	1.4
163.04250	0.7
164.26407	0.7
165.00621	1.1
167.04742	1.1
168.05421	2.4
170.03397	3.3
170.99727	4.4
171.01021	0.8
171.03017	1.3
172.97615	0.9
173.01308	1.4
173.02953	3.2
174.99309	3.4
175.00742	1.1
175.02782	3.9
175.08678	100.0
176.04364	1.1
176.07069	1.9
177.00749	7.8
177.02263	1.3
177.52544	0.9
178.03864	1.3
179.02272	3.7
179.04010	2.5
181.04669	1.6
182.03343	5.7
182.99678	1.9
185.01372	0.9
185.02966	1.0
186.05530	2.7
187.00993	0.8
187.02745	0.9
187.04504	1.1
189.00743	3.6
189.04152	11.9
189.05840	1.2
190.04945	4.0
190.71312	0.8
191.03897	16.5
191.54036	2.6
193.00171	0.8
193.03812	0.8
197.01299	1.7
197.03098	1.1
198.02687	1.1
198.04654	11.4
198.06380	1.0
200.04454	11.7
200.54880	1.6
201.00703	3.8
201.04202	1.0
203.02240	2.0
203.04070	1.9
203.08214	4.9
204.06696	4.3
207.05199	1.5
209.05865	0.9
211.02840	1.1
219.01744	6.5
221.03220	2.9
221.05096	4.9
221.07069	1.6
221.09229	19.7
221.11885	1.0
221.12242	1.0
221.16501	1.4
231.01627	0.7
237.02713	3.6
239.02261	0.9
239.06128	0.9
241.00226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
53.03888	1.1
55.01818	1.0
55.05447	1.5
56.96519	0.8
57.03400	0.8
57.07011	2.2
65.75192	0.4
66.14827	0.4
66.76914	0.4
67.05431	2.5
69.03363	1.6
69.07000	1.6
70.06522	1.8
71.04934	0.7
71.54836	0.8
72.08133	0.9
73.02894	0.5
73.04676	0.4
77.03893	0.4
79.05502	2.0
80.35745	0.4
81.03416	2.4
81.07059	3.5
82.02883	1.2
83.04942	0.9
83.08559	1.1
84.08105	0.7
85.02837	1.2
85.06515	0.5
87.04417	0.8
87.05659	0.5
90.05520	0.6
91.05473	4.1
93.07040	2.3
94.06591	2.7
95.04919	1.3
95.08566	1.8
97.02833	1.8
97.06489	0.6
98.97530	1.3
103.05473	2.2
105.03369	0.7
105.07034	4.0
107.04913	1.8
107.08601	2.6
109.02873	0.7
109.06490	1.6
109.10142	2.2
111.08072	2.2
115.05422	1.7
116.07027	1.8
116.07750	0.4
116.98584	0.8
117.06989	1.0
119.01878	0.6
119.04956	1.0
119.08596	2.7
120.08147	0.5
121.06557	2.2
121.10120	1.4
123.04418	0.7
123.08035	0.9
123.11670	0.8
127.06990	0.4
128.06190	0.9
129.06973	1.8
130.06541	41.2
131.04906	1.8
131.08521	0.9
132.04463	30.1
133.06511	2.2
133.10147	2.3
135.08012	1.3
135.11688	0.5
137.05995	2.9
137.09596	1.7
142.07768	0.6
143.04945	1.0
143.08540	1.2
145.06517	0.9
145.10158	0.8
147.04451	4.2
147.08046	1.7
147.09087	0.5
147.11697	1.8
148.07587	0.9
149.06017	0.7
149.09654	0.6
149.29129	0.4
151.07613	0.6
153.09137	0.6
155.82349	0.4
157.06493	1.3
157.07626	19.2
157.10208	0.8
158.06024	61.2
159.04501	0.6
159.08034	0.5
159.12129	2.1
160.05209	0.9
161.03256	0.5
161.06001	8.5
161.09656	1.4
161.13226	0.7
163.07579	0.5
165.05499	0.8
165.09149	1.7
165.12785	0.6
175.03990	3.3
175.07634	4.1
175.08699	100.0
175.14783	1.4
176.07123	2.3
176.09068	0.7
177.05490	0.8
179.03389	0.5
179.07047	0.5
179.10690	1.1
185.06088	1.2
185.11697	0.7
186.05573	2.1
191.07056	1.0
193.03371	0.8
193.05019	0.5
193.08679	0.5
193.12320	0.7
193.15921	1.8
203.03490	0.5
203.06839	4.5
203.10783	1.0
203.14510	0.8
203.17957	0.7
204.06589	3.5
206.16277	0.7
221.02783	0.6
221.04645	1.4
221.09341	30.1
221.11832	4.2
221.15570	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	220.1181
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01875	1.1
55.05516	1.2
56.01391	0.5
57.07079	5.7
59.05004	3.9
63.84466	0.5
67.05508	4.7
69.07068	4.5
69.98671	2.3
70.02950	6.5
70.06580	0.6
72.04523	15.2
72.04933	0.8
72.08154	2.1
73.02926	3.5
74.02444	1.6
78.44617	0.6
81.07067	1.2
83.04963	0.9
85.06552	9.9
86.06059	1.0
86.09710	1.7
87.04473	4.5
87.08107	2.1
90.05560	100.0
95.04974	6.9
96.08141	2.0
98.02419	15.3
98.06071	5.3
100.03992	2.6
103.07594	6.7
103.26107	0.6
112.07620	0.6
113.06027	2.7
116.03458	12.3
124.07597	17.4
131.07024	1.0
132.10207	0.6
140.10727	4.7
142.08656	7.2
144.10234	2.0
156.10170	1.2
158.10460	1.1
158.11780	21.7
160.03156	0.6
160.09688	2.1
166.08611	1.7
174.11259	2.7
181.15527	0.5
184.09714	21.3
192.02888	2.1
202.10753	32.3
202.14197	2.9
207.74208	0.5
220.02512	1.1
220.11815	43.0
220.15395	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	220.1333
Annotation	Darlingine
Peak:m/z	Relative Intensity
55.05519	0.8
57.07090	0.4
58.99587	0.6
63.15458	0.4
69.03429	0.8
69.35602	2.4
72.08172	0.6
74.10354	0.5
76.02222	0.8
79.05491	0.6
81.07068	3.5
85.01138	1.0
85.06503	0.4
86.99059	0.4
87.02694	1.3
87.04474	66.3
90.05542	0.5
91.05513	0.6
93.05779	0.5
93.07047	0.5
98.97601	1.2
102.03775	0.9
105.03400	4.0
105.07024	0.7
115.05399	0.6
117.07040	1.1
118.05728	0.6
118.06538	5.7
118.07342	0.5
119.07339	6.6
122.02730	0.9
131.01648	0.6
132.08051	0.6
134.09660	100.0
135.10036	0.6
136.06194	2.4
148.04262	3.3
159.04808	0.5
202.05827	0.5
202.09000	1.3
205.15903	1.7
208.00842	0.4
220.13353	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	220.1697
Annotation	Fabianine
Peak:m/z	Relative Intensity
50.49815	0.2
51.51254	0.2
65.33802	0.2
69.47890	1.2
69.48287	0.4
98.20802	0.5
108.43836	0.2
118.05699	0.4
118.06550	7.2
119.07377	0.2
132.08083	1.8
133.08871	0.8
134.09622	0.6
142.07426	0.3
146.09669	2.0
147.10420	0.4
152.78844	0.2
162.09137	5.2
175.07129	0.4
176.10799	2.9
176.14354	22.8
177.11519	1.1
190.12265	2.8
191.13103	0.2
202.16005	0.8
220.16971	100.0
221.17294	0.4
230.63733	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05515	6.7
56.00747	1.6
56.60952	1.5
57.07072	1.8
59.05001	2.0
67.05505	9.2
67.71940	1.2
69.07085	13.7
69.47813	6.7
69.48238	4.4
71.04983	6.1
77.03891	1.8
79.05499	7.4
81.07063	19.1
83.04973	2.1
83.08616	4.0
85.06539	13.4
91.05483	20.9
92.58868	1.4
93.07059	20.2
95.04957	1.3
95.08618	18.3
97.06535	3.6
99.08044	3.3
100.25372	1.4
100.60797	1.4
103.72387	1.4
105.07034	50.0
107.08600	21.7
107.85915	1.3
109.06506	3.4
109.10152	16.0
111.08087	4.9
113.09617	2.6
117.07023	11.2
119.08589	48.9
120.45472	1.6
121.06540	1.9
121.10139	19.6
123.08100	2.2
123.11713	5.3
125.09689	1.6
129.06946	3.4
130.07797	3.5
131.08568	19.0
133.10135	32.9
135.08081	2.5
135.11702	12.8
137.09648	3.2
143.08527	1.9
144.09369	2.5
145.10141	37.3
147.11702	8.7
149.09624	8.6
149.13237	4.1
157.10179	2.7
159.11699	57.5
161.09601	2.3
161.13269	57.3
163.11177	18.7
173.13228	10.4
174.06779	1.6
175.14841	12.9
176.12027	3.7
177.12744	8.1
177.16437	5.8
189.09125	2.4
191.14337	6.3
191.17947	4.5
201.16391	75.9
202.17007	1.6
203.14311	5.3
219.10207	4.7
219.17456	100.0
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	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
52.20490	0.7
53.03946	1.1
55.01886	1.2
55.05518	6.8
57.07058	2.6
58.00385	0.7
67.05222	0.8
67.05509	8.3
69.03410	2.3
69.07069	11.2
71.04983	1.3
79.05488	8.0
81.07061	18.2
83.04990	3.7
83.08615	2.5
85.06548	2.3
86.04427	0.7
91.05472	7.0
93.06482	1.4
93.07050	21.5
95.04957	2.9
95.08613	20.4
97.06544	7.8
97.10175	1.9
98.80295	0.7
99.08079	1.0
101.09620	0.8
105.06381	1.4
105.07035	14.4
107.04951	1.8
107.08601	24.6
109.06525	12.4
109.10157	18.6
111.08073	8.0
115.05421	1.3
117.07024	3.9
119.08587	15.5
121.06509	44.4
121.10150	16.4
123.08080	14.4
123.11718	13.8
125.09609	2.1
131.08591	6.0
133.10126	8.6
135.08060	53.9
135.11694	15.7
137.09618	2.5
139.11119	0.7
140.54610	0.8
143.08510	1.0
144.09344	1.6
145.10126	17.3
147.11682	8.7
149.09619	7.0
149.13222	2.2
159.11719	14.0
161.13286	10.2
163.10002	1.1
163.11185	10.3
166.71506	0.8
173.13298	3.8
175.14824	7.1
176.11975	1.2
177.12746	2.4
177.16350	3.5
184.35992	0.8
189.09085	1.0
191.14355	1.2
191.17949	5.3
201.16394	22.1
203.14337	5.5
219.11745	1.9
219.17447	100.0
229.64124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	Gymnomitrone
Peak:m/z	Relative Intensity
53.03949	0.3
55.05511	0.4
67.05508	0.8
69.07070	0.6
69.30193	0.7
69.30618	1.5
70.50005	0.2
79.05502	0.7
81.07068	0.9
83.08654	0.5
91.05474	1.4
93.07061	2.1
95.08626	0.8
97.06539	0.5
98.20705	0.5
101.37247	0.3
103.05469	0.4
105.07046	1.9
107.04966	0.3
107.08582	1.3
109.06568	0.3
109.10163	1.0
111.08109	0.3
117.07006	0.5
119.08571	1.2
121.06512	100.0
121.10171	0.9
122.06812	0.6
123.08081	0.3
123.11698	0.4
131.08557	0.7
133.10126	0.6
135.08067	3.3
135.11700	1.0
145.10112	1.1
149.09596	0.6
149.13222	0.3
150.77040	0.2
159.11725	1.1
161.09587	0.4
161.13289	1.4
163.11194	0.6
164.36618	0.3
173.13309	0.3
175.14844	0.5
191.14325	20.5
191.86449	0.3
201.16464	1.6
203.14377	0.7
219.17455	40.9
220.17702	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.2107
Annotation	(Z,E)-3,4,7,11-Tetramethyl-1,3,6,10-dodecatetraene
Peak:m/z	Relative Intensity
53.03946	1.4
55.05514	25.5
55.42982	1.3
57.07083	10.9
59.05005	1.4
65.03960	1.9
67.05508	47.4
69.06723	2.8
69.07076	35.8
71.08629	2.3
71.20219	2.9
78.57156	1.3
79.05499	22.5
79.05959	1.9
81.07063	100.0
83.05006	2.0
83.08622	16.8
85.02844	1.5
85.10191	2.1
86.71658	1.3
87.04472	1.7
91.05475	11.1
93.07049	56.7
95.04958	1.8
95.08611	99.3
97.06512	2.0
97.10168	12.0
105.07038	16.3
107.08599	67.8
109.06531	1.9
109.10163	93.5
111.04483	1.7
111.11745	3.5
117.07007	3.5
119.08588	11.7
121.06553	2.4
121.10149	51.1
121.11034	2.5
122.09804	1.6
123.10815	2.9
123.11714	51.7
124.55209	1.3
129.07053	4.5
130.07779	1.5
131.08571	8.8
133.10121	11.6
135.08115	1.7
135.11703	46.6
136.41003	1.3
137.13246	13.8
141.07002	4.3
145.06467	2.4
145.10104	14.6
146.07304	1.6
147.11687	4.3
149.13263	61.7
157.06544	1.9
158.07285	2.9
159.08113	2.7
159.11751	12.0
161.13266	9.6
163.11232	3.1
163.14822	48.7
169.57388	1.5
173.09634	2.3
173.13301	3.5
174.06808	8.5
175.07455	2.2
175.14838	1.9
177.16426	7.8
178.02670	1.6
189.09143	9.8
191.18071	3.8
201.09149	4.6
201.12845	1.5
201.16379	11.6
203.14340	19.1
219.10095	14.7
219.13899	4.8
219.17485	99.2
219.21039	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	219.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87699	12.6
57.57799	13.7
69.25799	13.0
69.75938	25.6
69.76359	54.5
73.66344	12.2
82.67690	13.6
91.44231	13.5
98.21455	23.8
189.15744	14.9
219.02722	100.0
238.06776	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	219.134
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
52.37082	0.6
55.05512	2.0
56.96567	8.2
60.04528	100.0
61.02933	1.1
69.03434	1.1
69.07080	2.2
69.57290	3.2
70.02989	0.7
70.06557	0.7
71.01355	2.3
71.95257	0.8
72.08173	3.5
73.02924	1.2
74.06049	0.7
75.04494	0.6
79.05530	0.7
81.03414	1.4
81.07074	0.6
83.05007	0.8
84.04514	1.9
84.96044	0.8
85.02929	1.2
86.06098	0.5
86.09708	74.3
87.04453	1.2
87.05593	3.7
90.05556	2.4
91.05494	0.7
91.72883	0.5
97.02910	0.7
97.06557	0.7
97.10050	0.5
98.06091	1.0
98.97588	36.4
99.97895	0.6
103.03947	2.0
105.03405	0.7
105.07073	0.6
107.04939	0.8
109.02924	0.8
110.97569	4.8
111.04454	0.7
112.99175	0.4
116.03426	0.7
116.98621	14.0
117.07096	0.6
117.97783	0.4
118.91999	0.5
119.08595	0.9
120.06497	0.5
121.10116	0.7
124.99130	0.8
126.09078	0.8
126.96978	0.5
127.03967	0.6
128.10742	3.6
128.98610	3.8
130.05016	0.6
131.03401	1.2
132.10208	57.2
133.10133	0.9
134.99649	2.6
136.46774	0.5
136.93091	0.7
137.02344	18.3
140.00162	0.7
140.10703	1.2
140.98572	0.6
143.00154	1.6
145.02850	0.6
145.06419	0.8
146.99669	1.3
154.94160	0.9
155.04739	0.7
158.06084	0.5
158.11803	3.4
158.99644	3.9
159.02917	2.4
161.01242	1.8
161.04672	1.4
161.09657	0.5
169.01651	0.6
170.99678	1.1
172.09642	0.9
173.06000	1.7
173.12863	36.1
175.08702	0.7
177.00740	5.7
177.05466	1.2
178.02074	2.3
179.03452	2.9
185.01071	0.5
187.02615	2.9
189.00674	0.8
192.08820	0.6
195.01788	0.7
196.03110	3.9
196.56911	1.0
201.00658	0.6
201.12335	7.7
203.14349	4.5
205.03633	0.6
219.01703	3.9
219.11522	0.9
219.13408	18.6
219.17447	15.8
220.15497	0.6
234.49199	0.5
237.02786	3.6
238.03192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03932	5.8
55.01875	11.3
55.05515	53.0
56.96568	9.8
57.03446	8.1
57.07087	8.8
59.04985	3.5
65.03938	2.0
67.05176	2.6
67.05512	39.0
69.03448	8.0
69.07076	46.0
69.62782	8.5
70.06584	2.5
71.05000	44.7
71.08612	1.5
72.08145	1.9
79.05062	2.5
79.05498	41.6
81.03416	10.3
81.07064	84.6
83.04996	8.0
83.08624	44.1
85.02898	2.5
85.06552	13.6
87.04470	4.0
88.07598	3.1
91.05490	15.3
93.03403	1.7
93.07052	58.3
95.04984	9.0
95.08615	84.8
97.02900	4.1
97.06538	56.9
97.10181	36.9
98.97587	13.3
99.04462	2.9
99.08084	9.6
101.09631	1.8
105.07044	12.6
107.04946	7.9
107.08602	74.1
109.02919	8.6
109.06521	11.4
109.10165	44.2
110.03656	3.2
111.04438	5.6
111.08086	9.5
111.11691	3.4
113.09666	3.3
116.98619	4.4
117.07009	4.3
119.04939	2.9
119.08594	5.8
120.89825	1.5
121.02923	2.5
121.06500	5.4
121.10153	87.4
123.04519	9.8
123.08089	7.5
123.11723	15.3
125.02386	3.0
125.06013	9.2
125.09640	21.4
127.03925	21.2
128.06187	1.6
129.06984	4.2
131.08588	10.4
132.04404	4.7
133.10120	4.5
135.04417	3.0
135.08054	7.9
135.11708	47.0
137.05945	3.7
137.13242	15.9
139.03894	4.7
139.07559	1.7
139.11195	11.4
140.55914	1.5
141.05510	8.4
142.07776	4.3
143.08598	3.5
145.10139	2.0
147.11697	2.7
149.05997	2.0
149.08430	1.9
149.09622	36.5
149.10754	3.1
149.13293	10.5
151.11162	4.1
151.14830	2.7
153.05484	20.2
153.09166	2.3
153.12759	12.9
154.06242	9.3
155.08401	1.5
157.06451	1.9
157.10164	10.1
159.11713	5.4
163.03357	2.8
165.16380	9.2
167.07127	2.1
167.08611	1.7
167.10693	5.8
169.08641	2.6
170.10936	2.0
171.08063	2.0
171.11711	5.7
177.09145	20.9
177.12933	7.8
177.16397	100.0
180.09373	1.7
181.04941	11.2
183.17424	3.4
185.07120	42.3
185.09694	5.0
189.11224	3.7
189.97615	1.6
195.06502	2.3
195.08397	2.8
195.10153	24.6
195.11861	2.9
195.13821	28.0
195.17448	17.7
208.25984	1.5
209.33255	1.4
213.03804	3.8
213.06598	18.9
213.09128	6.4
213.11166	8.6
213.12813	8.5
213.14850	63.6
213.16513	12.0
213.18477	9.1
216.04248	2.0
231.06467	2.2
232.99763	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
52.43478	0.9
55.01870	1.0
55.05275	0.9
55.05516	15.9
57.07073	9.9
61.65689	0.9
62.77227	0.8
67.05512	5.6
69.03442	1.8
69.07057	3.8
71.04985	1.0
71.35498	0.9
71.55815	1.3
79.05486	4.7
81.07059	7.3
83.04987	8.6
85.06551	5.8
88.07631	3.0
91.05466	4.4
93.07049	11.6
95.04950	1.0
95.08612	11.4
97.06519	5.6
104.24142	0.9
105.07044	4.9
107.08604	20.5
109.06552	4.7
109.10156	4.1
111.04447	100.0
111.08076	4.1
113.06063	2.2
117.07018	2.7
119.08556	2.0
120.71976	0.8
120.72877	0.9
121.06508	3.5
121.10147	2.1
123.08088	1.4
125.05997	26.0
127.07542	2.9
128.72687	0.9
130.07782	1.9
135.08043	12.2
135.11685	21.4
137.13232	1.8
139.07605	5.1
142.07806	1.7
143.08562	2.3
145.10132	17.9
149.13248	1.6
153.12750	6.2
157.10120	2.5
163.11205	25.7
170.10852	2.6
171.08139	1.0
171.11673	2.2
180.09335	1.2
181.12239	60.0
183.08089	1.0
195.11864	1.4
195.13786	4.8
198.10416	2.7
210.84195	1.0
213.09169	1.9
213.12907	11.5
213.14771	2.5
213.16397	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	213.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.01859	3.3
55.05270	2.1
55.05515	31.2
57.03421	5.8
57.07080	14.3
59.04981	2.7
67.05510	22.9
69.03440	3.7
69.07076	36.3
69.79453	9.7
69.79813	3.3
71.05006	9.4
72.08175	2.4
79.05497	26.4
81.03407	7.8
81.07062	62.2
83.04979	4.8
83.08619	24.8
85.02898	3.7
85.06552	11.8
86.09690	2.8
88.07641	2.0
90.51481	1.7
90.82348	1.8
91.05489	9.1
93.07051	56.3
95.04969	3.4
95.08614	87.2
97.02874	2.6
97.06522	7.9
97.10184	16.2
99.08083	7.3
100.11266	7.2
105.07020	7.9
107.04926	2.6
107.08602	55.8
109.02875	6.4
109.06530	3.0
109.10155	35.9
111.04427	3.1
111.08074	7.2
111.11701	5.8
113.09690	2.7
119.08566	2.5
121.10154	72.4
122.34879	1.8
123.08150	2.1
123.11724	12.0
125.05991	2.3
125.09621	5.6
127.03940	14.7
131.08653	2.1
135.08035	2.9
135.11700	30.6
137.13261	15.6
139.11189	10.3
141.05449	2.2
141.11472	4.9
142.07787	2.5
143.08554	3.0
149.09627	8.2
149.13298	11.1
151.14841	3.1
153.05457	2.4
153.12801	3.3
157.06458	2.2
157.10242	2.0
159.11757	2.5
165.16405	7.8
171.11644	2.6
177.09105	2.8
177.16399	100.0
181.05058	3.1
182.15405	2.4
183.17430	2.3
195.10199	5.2
195.13844	3.4
195.17488	15.0
195.26137	1.9
213.03802	3.3
213.09222	4.1
213.12773	6.3
213.18074	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03947	2.0
55.01875	1.4
55.05513	30.0
57.03426	4.3
57.07077	12.8
59.04998	1.8
63.13073	0.9
65.03945	1.1
67.05503	19.7
69.03436	1.5
69.07070	35.9
71.04989	8.0
71.08620	2.3
71.55048	1.4
79.05496	21.7
81.03419	1.9
81.07058	57.6
83.04977	2.5
83.08617	25.4
85.02875	1.3
85.06543	10.6
85.10178	1.7
86.09715	1.2
91.05470	10.2
93.07044	44.2
95.04948	1.8
95.08607	87.4
97.06539	6.4
97.10176	15.9
99.08094	5.5
100.11272	2.6
105.07028	7.4
107.04948	2.2
107.08597	61.6
107.69280	1.0
109.02882	2.1
109.06536	1.6
109.10162	38.0
111.08115	6.1
111.11736	6.7
113.09612	1.9
113.50033	1.0
119.08595	1.5
121.10145	78.9
123.08100	1.5
123.11720	11.6
125.09644	5.2
127.03905	3.0
135.11691	23.8
137.06078	1.0
137.13261	16.4
139.11177	8.9
143.08549	1.3
149.09628	2.5
149.13269	8.2
151.14854	5.1
153.07344	1.1
153.12752	2.7
157.10056	1.2
157.12288	1.3
158.50871	1.1
165.16383	9.9
167.07034	2.6
177.16391	100.0
183.17464	3.4
185.07106	1.4
195.08385	1.2
195.10101	1.3
195.13852	1.3
195.17444	19.8
213.09125	2.0
213.12836	1.8
213.16536	2.0
213.18481	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	213.1121
Annotation	Melazolide A
Peak:m/z	Relative Intensity
52.16588	0.8
53.03949	1.0
55.01871	1.8
55.05502	2.1
67.05499	2.1
67.55373	0.8
69.03417	3.2
69.77151	5.6
70.06557	1.3
71.04979	1.8
71.87073	0.9
72.08132	1.6
73.02953	1.0
79.05492	10.5
81.03407	1.8
81.07048	3.2
83.04972	2.1
85.06553	1.1
86.09698	2.2
88.07638	1.0
91.05484	12.5
93.07047	17.0
95.04958	2.1
95.08587	2.7
97.06500	1.5
105.07036	15.7
107.04977	5.5
107.08595	96.9
109.06506	3.3
111.08086	1.6
116.06284	1.1
117.06999	2.4
119.04945	1.1
119.08581	14.5
121.06470	2.6
121.10145	37.0
123.08051	6.9
125.05967	1.0
125.09583	2.7
127.03896	1.4
129.07007	2.0
131.08586	14.1
133.06459	1.2
133.10129	2.5
135.04469	5.3
135.08054	34.2
147.07945	1.1
149.09621	100.0
149.39496	1.0
151.03838	1.8
151.11237	1.4
153.07448	1.3
153.09111	2.8
159.08035	3.3
165.09071	1.3
167.07042	1.8
167.10634	6.2
177.09105	79.3
189.78633	1.1
195.10156	18.0
213.09218	1.3
213.11163	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	213.1121
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03934	3.6
55.01865	6.5
55.05514	7.4
57.03438	2.6
57.07062	4.4
59.05010	2.5
60.08169	2.3
67.05225	1.5
67.05513	15.4
68.99767	1.8
69.03425	7.8
69.07053	8.7
69.36336	13.8
70.06575	1.5
71.05015	8.4
79.05489	15.7
80.48476	1.6
81.03406	4.1
81.07065	18.7
83.04961	6.3
83.08591	3.8
85.02892	3.2
85.06536	4.2
86.09718	2.8
91.05476	16.1
93.07047	25.8
94.93459	1.5
95.04984	9.8
95.08601	14.8
97.02884	3.7
97.06538	8.0
97.10143	2.5
98.20795	3.7
98.97587	8.6
99.04444	3.4
100.07605	2.7
103.05437	2.3
105.07042	24.4
107.04955	5.2
107.08599	38.3
109.02839	5.1
109.06509	17.3
109.10146	5.5
110.03629	1.7
111.04452	7.4
111.08086	6.7
116.98615	2.4
117.07009	2.9
119.08562	5.8
121.06488	5.0
121.10147	73.6
123.08074	53.8
123.11737	8.0
125.05975	6.4
125.09626	13.3
126.03065	2.1
127.03921	10.1
127.07481	2.9
128.06207	3.5
128.07079	2.7
129.07068	2.8
131.08586	14.3
133.06497	14.8
133.10139	46.3
135.08086	17.9
135.11694	7.1
137.05945	5.7
137.09654	2.6
139.11166	13.3
141.05447	3.8
141.06989	3.4
142.07811	2.8
143.08522	4.1
149.09625	71.4
149.13248	2.3
151.07553	57.7
151.11191	16.8
152.06221	1.8
152.08424	2.1
153.07385	4.2
153.09084	7.0
153.10193	1.6
157.10120	3.0
158.99619	3.7
159.08101	4.5
159.11693	3.4
162.06755	1.9
165.05527	2.3
165.06995	3.5
165.09085	5.7
167.07115	2.7
167.08551	3.0
167.10667	44.8
168.13763	2.0
169.04974	6.6
169.08589	2.4
171.08020	4.1
171.11740	3.0
177.00810	2.8
177.09116	100.0
177.12537	3.3
177.16324	1.9
180.19028	1.7
185.07109	3.2
185.09619	9.0
185.13260	2.4
195.08450	6.0
195.10168	92.3
195.13802	3.1
196.13394	2.4
213.09120	11.9
213.11198	29.6
213.12767	5.0
213.16325	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01866	0.9
55.05502	1.0
57.03432	0.3
57.07076	0.4
67.05509	1.2
69.03441	1.4
69.07066	0.8
70.06601	0.4
71.04993	0.6
71.19212	0.4
73.77803	0.2
75.04481	0.6
75.83128	0.2
79.05496	3.1
81.03415	0.7
81.07071	1.4
81.73074	0.2
83.08621	0.7
83.62247	0.2
84.04517	0.7
85.02906	0.3
85.06548	0.6
86.09700	0.6
88.07636	0.2
89.97989	0.2
91.05490	4.7
93.07047	7.6
94.41121	0.2
95.04980	0.9
95.08611	0.9
97.02883	0.3
97.06547	0.6
97.10210	0.3
98.56422	0.2
98.97578	0.4
99.04462	0.4
100.11269	2.0
103.05452	0.4
105.07040	4.9
107.04961	1.1
107.08600	6.7
109.02882	0.6
109.06531	1.4
109.10184	0.6
110.03671	0.3
111.04398	0.3
111.08092	2.5
114.09136	0.3
117.07027	0.6
119.04961	1.8
119.08571	1.3
121.06496	0.6
121.10152	24.0
123.08090	1.0
125.05975	1.0
125.09637	0.5
127.03922	0.6
129.06987	0.4
130.96286	0.3
131.08591	2.0
133.07605	0.4
135.04427	1.0
135.08046	2.5
135.11714	3.7
139.11140	0.3
142.12286	0.7
143.08588	0.2
148.97423	0.3
149.09627	100.0
150.09929	0.4
153.05447	0.3
153.09129	1.0
154.06374	0.3
154.12271	1.1
157.10152	0.2
159.08087	1.0
163.11247	1.5
165.07021	0.4
165.09135	0.5
167.07080	0.9
167.08572	0.3
167.10693	1.0
168.08125	0.3
171.14940	1.6
177.09108	5.6
177.12747	0.5
185.07129	0.5
185.09618	0.3
194.82829	0.2
195.06525	0.4
195.08405	0.5
195.10173	5.0
195.11987	0.5
195.13774	3.1
195.15215	0.3
213.03749	0.3
213.06854	0.4
213.09203	0.7
213.11043	0.5
213.12894	0.6
213.16164	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03957	3.1
53.82646	1.9
55.01863	5.1
55.05514	3.5
57.03419	2.3
65.03953	2.1
67.05487	9.9
69.03442	3.5
69.07087	1.9
69.82785	10.5
71.04990	2.7
77.03917	2.4
79.05059	3.4
79.05491	40.3
81.07051	6.9
83.04981	1.9
89.06038	4.1
91.05496	15.5
93.07061	16.8
95.04977	16.2
95.08595	8.0
97.06544	2.8
98.21478	4.1
105.07053	15.5
107.04961	91.2
107.08595	67.9
108.05730	2.6
109.02911	2.9
109.06516	3.1
117.06986	2.4
119.04922	3.3
119.08594	13.4
121.06490	4.5
121.10146	30.8
123.04435	14.4
123.08070	88.1
125.05990	4.5
125.09667	2.8
127.03922	2.7
129.07025	2.4
131.08582	16.7
135.04430	4.1
135.08066	14.9
140.04704	3.9
147.08049	2.8
149.09622	89.2
151.03906	4.0
151.07574	4.1
153.05443	3.6
153.07382	2.3
155.07047	2.2
159.08032	7.8
163.03937	3.4
164.95517	2.0
165.09120	2.3
166.40509	2.1
167.03421	2.4
167.07082	4.3
167.10677	3.0
177.09119	43.3
194.07460	1.9
195.10167	100.0
213.05527	5.9
213.11223	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	213.1122
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03951	0.4
55.01862	0.6
55.05509	1.0
56.96547	0.6
57.03439	0.5
67.05497	0.9
69.03413	1.3
69.07076	1.0
69.23908	0.9
69.24319	3.3
70.31464	0.4
71.04987	0.5
73.02918	0.5
79.05508	4.0
81.03403	1.2
81.07063	1.7
85.02914	0.6
86.09699	0.9
91.05477	5.2
93.07046	6.2
95.04961	1.7
95.08608	0.7
97.06517	0.5
98.20716	1.0
98.97595	6.3
99.04445	0.8
103.05444	0.8
105.07024	4.7
106.07810	0.5
107.04966	6.7
107.08600	7.7
109.02870	0.9
109.06494	1.6
109.10144	0.5
109.50973	0.5
111.08055	2.5
116.98630	1.3
117.07002	1.1
119.04900	1.6
119.08557	1.5
120.05711	0.4
121.06501	0.5
121.09318	0.9
121.10151	13.4
123.04446	0.7
123.08022	1.3
125.06010	0.9
125.09653	1.2
127.03917	1.4
128.06232	0.5
129.06987	0.6
131.08531	2.2
133.07608	0.8
135.04448	0.9
135.08067	3.6
135.11612	0.5
139.03876	0.9
141.05614	0.6
148.05045	0.5
149.09622	100.0
151.03873	0.5
153.09093	0.9
158.99683	2.7
159.08080	1.0
163.07547	3.5
167.07054	10.7
167.10667	1.6
177.00745	1.5
177.09102	5.4
185.07181	0.5
189.12692	0.6
190.64993	0.7
195.10185	6.8
213.09288	0.9
213.11064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03938	2.1
55.01867	1.4
55.05509	0.9
56.46566	0.7
61.02930	8.0
62.65357	0.6
63.02405	0.9
64.17632	0.7
65.03945	6.9
67.05502	2.7
68.99805	1.1
69.03434	1.1
69.07072	0.9
70.06604	4.1
71.01398	0.9
71.23169	1.0
71.23895	1.6
72.08158	2.4
74.34876	0.7
79.05498	14.7
81.03399	2.0
81.07042	1.9
85.02906	1.1
86.09701	1.8
88.07648	1.0
88.95282	0.7
91.05485	81.1
93.03416	7.8
93.07026	1.9
93.50656	0.6
94.04168	1.0
95.04980	6.6
95.08636	0.9
97.02897	1.0
98.97579	1.6
99.04466	0.7
102.40536	0.8
105.03384	0.9
105.04530	1.6
105.07066	1.3
107.04965	29.8
107.08589	5.9
108.02104	2.4
109.02880	1.7
109.06503	1.5
110.03668	16.8
110.04379	1.5
111.04460	5.1
113.07381	0.7
117.03403	0.9
119.04951	100.0
120.05755	9.0
121.02880	1.5
121.06517	6.0
121.10149	2.2
122.03685	4.4
123.04452	1.3
123.08037	1.0
125.05997	46.9
127.03924	2.8
128.06294	1.0
129.07019	1.8
130.96342	2.6
131.08551	1.0
133.02866	9.7
135.04427	20.0
135.05424	1.4
135.08070	1.4
137.06009	3.9
139.05414	1.0
141.05498	3.0
147.96490	0.9
148.97377	2.5
149.05988	18.3
149.09604	6.6
150.03142	8.0
151.03917	74.8
151.05038	8.0
152.06213	4.1
153.05493	12.1
157.06546	2.7
162.03111	0.9
163.03897	5.4
165.05511	29.5
165.07033	5.1
166.07816	2.2
167.05551	1.2
167.07071	14.0
167.08592	6.8
169.06526	1.3
176.06267	2.0
177.05496	14.1
177.07037	5.9
177.09103	1.8
181.04958	1.1
181.06500	1.3
183.08075	0.8
185.09637	1.2
189.97667	1.5
195.04764	1.1
195.06552	13.0
195.08128	6.1
195.10112	1.6
198.06750	1.5
213.05502	11.1
213.07527	6.4
213.09166	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.48236	1.9
55.05516	9.6
57.07079	3.2
67.05514	24.4
69.03419	10.5
69.07076	16.1
69.36415	9.2
69.36838	4.6
71.05016	3.9
71.08639	2.2
79.05494	5.7
81.03415	2.2
81.07059	22.6
83.04986	14.2
83.08635	8.7
85.06541	4.0
91.05483	6.2
93.07059	10.5
95.04971	3.4
95.08604	42.4
97.06552	2.4
97.10172	3.3
98.06132	2.1
98.20701	3.8
98.91219	1.7
99.08083	5.2
105.07038	8.2
107.08604	19.8
109.06532	12.8
109.10162	100.0
111.08083	2.4
113.09679	2.2
119.08594	28.5
121.10136	13.2
123.08073	16.2
123.11695	10.4
133.10120	19.9
135.11697	75.5
137.09624	15.3
139.11238	3.3
149.13234	5.0
151.11185	14.1
151.14833	14.3
153.12747	5.0
165.16362	3.2
173.61693	1.9
175.14854	25.2
193.15901	26.9
205.49225	1.9
211.14961	2.8
211.16916	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05515	12.6
57.07066	3.4
59.05007	1.9
59.47301	0.8
65.38103	0.8
67.05173	1.5
67.05511	23.7
69.03433	10.4
69.07068	13.9
71.04998	4.7
71.08621	1.1
79.05489	5.0
81.03438	1.5
81.06581	1.4
81.07057	25.2
83.04992	11.6
83.08624	6.6
85.06552	2.3
91.05482	3.5
93.07056	10.0
95.04971	2.0
95.08610	38.2
97.06522	1.6
97.10147	2.3
99.08115	4.0
105.07040	5.5
107.08601	21.5
109.06514	11.8
109.10160	100.0
111.08080	2.5
113.09637	1.1
119.07801	1.7
119.08588	23.3
121.10136	10.9
123.08069	14.2
123.11719	10.4
125.09631	1.5
126.32434	1.0
127.30163	0.9
132.51387	1.0
133.10136	17.7
135.11696	66.8
137.09618	16.8
139.11119	1.6
147.11691	1.5
149.13286	5.5
151.11188	10.5
151.14806	13.4
153.12762	2.7
162.44296	0.9
165.16377	3.2
166.17726	0.9
172.69395	0.9
175.14832	23.4
175.16289	1.9
193.15904	20.2
211.16899	2.8
231.71143	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03931	3.2
53.22231	0.7
53.51527	0.7
55.01864	1.6
56.96554	3.0
60.64172	0.7
61.02932	11.2
65.03944	6.7
67.05492	3.4
69.03390	1.3
69.07076	1.5
70.06589	1.5
70.46465	2.1
71.04990	0.8
71.41792	0.8
72.08146	2.7
77.03917	2.0
79.05067	1.2
79.05496	17.3
81.03412	1.1
81.07065	2.1
83.04982	0.9
83.08616	0.9
84.08051	0.8
85.02927	1.9
86.09700	2.2
87.20324	0.8
87.49867	0.7
89.03913	1.3
91.05492	5.6
93.03413	11.6
93.07047	2.2
95.04995	4.2
95.08602	1.2
97.02862	1.0
97.06544	1.4
98.97594	9.0
105.03394	1.5
105.04501	1.5
105.07003	1.0
107.04962	26.0
107.08588	3.0
108.02075	1.1
109.02877	1.1
109.06521	3.0
110.03665	23.1
110.97591	2.0
111.04456	10.8
116.98610	1.7
117.03363	1.1
119.04951	4.0
121.06503	10.2
121.10147	2.5
122.03634	4.8
123.04423	1.5
123.08054	2.3
125.05999	77.5
126.06767	1.1
127.03893	2.3
127.47992	0.8
128.50122	0.8
128.98613	2.0
130.96306	2.6
133.02864	10.9
135.03391	1.5
135.04428	27.1
135.07965	0.8
136.01483	0.8
137.05980	7.8
140.04738	1.4
141.05424	2.7
142.02768	0.8
143.06963	0.8
146.07285	0.7
146.76093	0.9
146.99530	0.9
148.97374	1.6
149.05992	25.6
149.09624	7.3
150.03160	10.1
151.03925	100.0
151.05031	11.2
153.05467	19.1
153.08086	0.9
155.06978	2.0
158.99638	2.5
162.03123	2.2
163.03923	9.6
165.05487	39.0
167.04735	1.6
167.07042	22.2
167.10876	1.0
170.99789	0.8
172.03740	0.8
177.00687	1.9
177.05472	24.8
177.09044	1.5
181.04298	1.8
185.05959	1.4
195.04752	1.4
195.06541	22.9
201.04257	1.3
213.05505	5.1
213.07561	14.7
213.09431	1.1
213.12567	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03931	0.8
55.01870	1.3
55.05510	12.4
57.03439	21.9
57.07070	3.1
57.54447	0.6
59.04993	2.6
61.41134	0.7
63.90956	0.7
65.03914	0.9
67.05510	25.5
68.26544	0.6
69.03435	8.3
69.06722	1.0
69.07073	15.3
70.61860	2.0
71.05003	5.3
71.08628	0.9
79.05493	9.0
81.03416	3.9
81.07060	30.0
83.04983	13.3
83.08617	9.7
85.06541	3.3
87.47660	0.6
91.05480	8.7
93.07050	20.0
95.04981	7.1
95.08611	37.6
97.06532	6.1
97.10175	3.5
98.42699	0.6
99.08086	3.5
102.28221	0.6
103.61472	0.6
105.07043	10.0
107.08598	24.8
109.06522	13.8
109.10161	100.0
111.08090	6.9
113.09636	2.3
115.52980	0.7
117.07028	1.2
119.08586	27.5
121.06519	0.8
121.09307	1.3
121.10149	15.9
123.08072	20.4
123.11704	11.2
125.09634	10.4
127.11180	1.0
129.07036	1.2
131.08589	1.9
133.06500	0.6
133.10135	18.5
135.11699	60.2
137.09621	17.2
137.13289	1.1
138.10384	0.8
139.11182	7.8
145.10170	0.8
147.08083	0.7
147.11732	5.1
149.09624	4.8
149.13266	5.0
151.11197	10.8
151.14827	12.3
153.12758	2.8
157.10173	1.0
165.12785	2.6
165.16418	2.5
167.07117	1.6
167.10686	15.7
169.12291	1.0
175.11244	3.0
175.14838	22.9
193.12296	5.3
193.15881	19.6
194.86130	0.6
202.05937	0.6
211.13280	3.7
211.16925	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05513	12.9
57.03448	8.7
57.07075	3.5
59.04977	2.9
60.54697	1.6
63.20200	1.4
67.05509	26.0
69.03431	8.8
69.07072	16.2
71.00502	2.6
71.04984	5.1
71.08614	2.0
77.63813	1.4
79.05499	6.8
81.03406	3.3
81.07061	28.6
83.04990	14.7
83.08614	9.9
85.06535	2.8
89.12719	1.5
91.05480	6.3
93.07041	11.9
95.04947	3.4
95.08619	42.2
97.06520	4.1
97.10149	2.9
99.08086	4.3
105.07040	7.0
107.08605	26.8
109.06535	11.1
109.10162	100.0
111.08064	4.2
113.09632	2.6
119.08588	27.4
121.10159	14.7
123.08073	14.6
123.11733	10.0
125.09627	4.3
127.11167	1.7
131.08519	1.7
133.10149	18.4
135.11707	64.8
137.09625	17.2
139.11168	4.4
147.11665	2.7
149.13252	5.4
151.11172	9.7
151.14830	13.6
153.12683	2.3
165.16391	3.3
167.07051	2.4
167.10667	4.3
175.11218	1.9
175.14842	22.7
193.12157	3.4
193.15915	20.0
200.54327	1.4
211.14998	1.9
211.16945	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.63137	0.8
53.03940	3.0
55.01869	5.6
55.05514	34.1
57.03441	29.7
57.07087	5.0
59.04987	2.6
64.55043	0.8
65.03923	0.8
67.05507	29.5
69.03437	7.5
69.07070	62.2
69.58908	4.2
71.01350	1.0
71.05000	7.1
71.08632	2.0
73.06541	1.2
74.42029	1.0
79.05062	1.3
79.05495	19.8
81.03426	42.2
81.07061	41.9
83.04989	24.5
83.08624	33.9
85.02891	2.3
85.06550	13.3
85.10192	1.3
91.05487	20.3
93.07049	25.4
94.43284	0.9
95.04977	23.1
95.08611	43.9
96.08954	0.8
97.02888	1.6
97.06536	19.6
97.10173	9.0
99.04445	2.9
99.08096	3.6
101.06057	2.0
105.07040	23.2
107.04931	2.8
107.08601	20.1
109.06526	8.0
109.10162	49.1
111.04440	1.6
111.08085	13.5
111.11708	3.3
113.06001	1.7
113.09667	1.0
113.86591	0.8
117.07023	1.7
119.04910	1.3
119.08587	23.7
121.06514	2.8
121.10153	15.8
123.04502	1.1
123.08076	11.2
123.11714	16.7
125.05952	1.7
125.09646	8.0
127.07584	1.2
127.11192	3.5
129.07010	5.4
131.08565	6.0
133.06534	2.0
133.10133	21.6
135.08046	3.3
135.11700	12.5
137.05978	1.7
137.09633	12.0
137.13258	7.0
139.07544	0.9
139.11188	9.3
141.09128	1.6
142.07771	2.6
145.10097	1.3
147.08046	2.7
147.11684	18.0
149.09639	7.1
149.13284	4.0
151.07515	2.1
151.11215	9.3
151.14812	6.1
153.08075	0.8
153.12776	2.5
155.07111	1.0
155.10681	25.7
155.14268	1.9
155.17053	0.8
157.10159	7.8
165.09203	1.0
165.12796	8.2
165.16422	18.8
167.07062	4.5
167.10692	10.4
167.14305	9.3
169.12253	3.5
175.11206	14.7
175.14830	12.5
183.11940	1.4
193.10426	1.3
193.12245	27.1
193.15884	31.9
211.07762	1.1
211.13428	18.1
211.16933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03936	2.5
55.01855	3.7
55.05269	1.7
55.05513	23.9
56.96581	1.4
57.03439	72.2
57.07068	6.1
59.04978	2.8
65.03910	1.2
67.05508	35.0
69.03423	6.0
69.07071	54.6
70.85604	2.3
71.04986	6.8
75.62879	1.1
79.05061	1.3
79.05495	16.1
81.03419	10.0
81.07063	40.3
83.04981	12.5
83.08139	1.6
83.08620	21.8
85.02879	2.2
85.06544	9.0
85.10204	1.4
91.05484	19.3
93.06477	1.8
93.07044	35.7
95.04975	17.9
95.08611	56.3
97.06537	22.6
97.10167	12.0
99.04418	1.5
99.08080	3.9
101.05988	1.7
103.05453	1.1
105.07030	17.1
107.05016	1.9
107.08600	28.7
109.06519	11.2
109.10164	73.6
111.08079	14.2
111.11700	4.2
113.05974	2.7
113.09644	2.7
115.07549	1.6
117.07014	2.2
119.04906	1.2
119.08582	34.6
121.06468	2.4
121.10152	25.7
123.04415	1.3
123.08071	35.7
123.11704	18.6
125.09634	28.4
127.11156	5.2
129.07007	2.1
131.08554	4.4
133.06528	1.8
133.10133	19.8
135.08018	1.2
135.11691	24.8
137.08653	2.0
137.09624	25.9
137.13263	7.9
139.11188	26.9
147.08002	2.6
147.11690	16.4
149.09616	13.5
149.13315	5.5
151.07547	2.3
151.11197	10.5
151.14798	10.4
153.12753	3.6
155.08472	1.2
155.10687	17.9
157.10118	2.4
165.12747	7.0
165.16405	15.3
167.07014	11.4
167.10681	57.6
167.14359	7.8
169.12195	4.5
175.11198	10.5
175.14807	21.8
182.07320	1.5
193.12270	14.6
193.15884	63.8
211.07761	1.2
211.11317	2.9
211.13297	11.8
211.16924	100.0
220.07620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.08369	0.4
53.03939	0.9
55.01869	0.7
55.05513	11.3
55.86400	0.4
57.03448	2.1
57.07076	3.8
59.05000	3.3
65.03947	0.9
67.05506	23.5
69.03432	9.8
69.07072	14.9
71.04993	3.1
71.08630	1.0
79.05490	4.0
81.03404	0.6
81.07059	26.5
83.04984	12.2
83.08623	9.2
85.06544	3.7
87.08095	0.6
89.63469	0.5
91.05477	3.5
93.07044	11.2
95.04977	2.8
95.08610	36.6
97.06541	1.9
97.10181	3.1
99.08101	3.8
105.07038	6.6
105.07698	0.7
107.08597	23.6
109.06517	11.8
109.10158	100.0
111.08102	3.5
111.11756	0.4
113.09641	2.3
117.06977	0.6
119.08581	23.0
121.06533	0.4
121.10143	12.7
123.08079	14.0
123.11710	10.1
125.09617	1.7
127.11189	1.0
131.08586	0.9
132.53177	0.4
133.09108	0.7
133.10133	17.8
135.11694	67.0
137.09619	15.9
138.10428	0.8
139.11203	3.2
147.11702	1.6
149.09599	0.4
149.13261	6.0
151.11200	10.6
151.14822	13.2
153.12749	3.7
165.12741	0.9
165.16377	2.8
167.10670	1.8
175.14827	25.2
193.15889	20.9
211.15216	0.6
211.16962	3.8
234.21170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03933	3.4
55.01860	4.9
55.05263	2.3
55.05512	33.1
56.96545	3.4
57.03424	7.0
57.07056	7.4
59.04981	4.8
67.05509	47.9
68.05830	4.8
69.03437	8.1
69.07074	44.4
70.59115	2.4
70.59480	4.1
71.05000	32.4
73.06559	3.0
79.05494	25.7
81.03406	6.0
81.07062	84.5
82.16239	1.6
83.04984	13.8
83.08617	21.9
85.02907	2.5
85.06525	11.2
87.04460	10.7
90.10373	1.6
91.05482	29.6
93.06480	2.3
93.07055	54.3
95.04974	15.4
95.08613	100.0
96.05297	11.5
97.02886	2.2
97.06540	16.0
97.10164	11.0
98.97547	1.9
99.04465	2.1
99.08097	13.6
101.06026	10.0
105.07037	48.4
105.18828	1.5
107.08605	48.6
109.06504	6.1
109.10162	55.7
111.08102	13.7
113.09621	1.8
115.07566	23.1
119.08591	67.3
121.10156	20.4
123.04323	1.6
123.08053	6.9
123.11726	19.0
125.09642	9.3
127.07524	8.3
131.08566	3.8
133.10139	63.0
135.11700	42.2
137.05933	2.3
137.09621	9.4
137.13274	17.2
139.11154	2.6
140.07060	3.0
141.09091	2.6
147.11703	32.4
149.05992	1.9
149.13251	16.4
151.11131	4.4
163.04041	1.7
163.14833	34.8
165.05440	2.1
165.12830	1.8
165.16350	3.2
167.07042	7.1
167.14354	3.2
175.11223	3.1
175.14836	80.3
179.54414	4.1
181.15947	2.4
188.54953	6.3
193.08548	2.9
193.12273	4.7
193.15886	39.1
196.02852	2.0
200.05743	1.8
211.05060	2.0
211.11633	19.9
211.13513	3.4
211.16940	70.5
211.78087	1.7
214.03935	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
52.68750	0.8
53.03942	1.8
55.01865	2.5
55.05265	1.3
55.05510	15.6
56.96576	1.1
57.03439	78.2
57.07092	5.4
59.04989	3.6
65.03936	1.0
67.05509	36.2
69.03137	0.9
69.03438	10.9
69.07074	23.0
71.04997	7.4
71.08617	1.6
72.08155	0.9
79.05492	17.4
81.03419	4.1
81.07060	35.3
83.04988	17.3
83.08624	12.5
85.06076	1.0
85.06524	6.0
91.04976	1.2
91.05487	15.1
91.22801	0.9
93.07047	41.2
94.32897	0.8
95.04447	1.3
95.04979	16.7
95.08612	50.5
97.06534	18.5
97.10158	2.8
98.20727	2.3
99.04446	2.9
99.08088	3.3
103.05394	1.0
105.07036	20.0
106.15235	0.8
107.04944	1.0
107.08598	34.1
109.06520	17.5
109.10161	100.0
111.08098	11.7
113.09669	2.4
113.93523	0.9
117.07056	2.3
119.08588	46.1
121.06487	1.8
121.09315	1.8
121.10148	26.3
123.04407	1.3
123.08075	42.4
123.11712	12.8
125.05971	1.0
125.09628	30.5
127.07489	1.0
127.11191	1.0
129.06990	1.8
131.08571	4.4
133.06558	1.1
133.10135	21.4
135.08076	1.8
135.11696	54.6
137.09621	24.3
137.13242	3.7
139.11191	21.4
147.08035	2.2
147.11696	16.1
149.08563	1.4
149.09641	17.8
149.13245	6.3
151.07552	2.1
151.11197	12.2
151.14827	11.9
153.12740	3.0
155.08566	1.4
157.10141	3.0
165.07031	1.6
165.12706	8.5
165.16426	3.8
167.07068	10.2
167.10684	58.8
169.10112	1.7
169.12257	3.2
175.11212	10.4
175.14832	19.8
183.08020	1.1
183.11652	0.9
193.12250	12.7
193.13950	1.6
193.15877	22.8
211.07579	3.1
211.09454	1.2
211.11266	2.5
211.13292	12.8
211.14926	3.6
211.16940	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	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
52.35585	1.6
53.03943	5.8
54.37107	1.5
55.01873	5.2
55.05275	2.2
55.05516	37.4
57.03444	51.4
59.04987	2.3
65.03948	1.7
66.77600	1.6
67.05173	3.3
67.05508	37.2
69.03446	8.6
69.07077	14.2
71.00272	3.6
71.04989	5.4
79.05502	36.8
81.03426	100.0
81.07059	46.2
83.04989	45.2
83.08150	2.6
83.08628	37.1
85.06536	2.0
91.05485	39.7
93.07050	31.3
95.03449	1.6
95.04369	2.7
95.04977	45.9
95.08617	22.8
95.60303	1.6
97.02874	4.8
97.06548	12.7
97.10162	7.9
98.54006	1.6
99.08101	3.5
105.07035	33.1
107.04945	7.2
107.08603	15.7
109.06521	11.6
109.10151	17.1
111.08105	15.7
113.64778	2.1
117.07020	2.9
119.04932	2.5
119.08592	29.1
121.06499	2.4
121.10156	18.7
123.08075	17.2
125.05983	2.2
125.09660	15.6
129.06999	14.4
129.53375	1.8
131.08578	12.3
133.10167	13.5
137.09622	7.3
137.13271	2.9
139.11188	11.0
142.07784	3.4
147.08073	5.3
147.11705	22.6
149.09628	14.4
151.99586	2.1
157.10143	16.1
165.12750	5.2
167.06953	1.9
167.10686	33.3
175.11194	25.2
193.12256	65.8
211.13306	31.4
222.88969	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03925	2.4
55.01854	2.7
55.05511	27.1
57.03192	0.9
57.03437	10.5
57.07071	5.7
59.04993	1.8
60.22522	0.8
61.35954	0.7
65.03918	1.1
67.05506	24.5
69.03414	2.6
69.07068	59.3
69.37265	6.1
71.04996	10.9
71.08611	2.4
72.08148	1.3
78.17717	0.8
79.05492	11.6
81.03063	0.7
81.03422	7.8
81.07056	36.9
83.04975	7.9
83.08147	1.1
83.08619	21.1
85.02890	1.7
85.06545	12.5
85.90737	0.8
87.04476	1.1
90.99440	0.8
91.05481	15.1
93.07040	21.3
95.04971	11.9
95.08609	43.6
97.06532	11.4
97.10170	8.1
99.04411	1.5
99.08089	7.1
101.06003	2.1
105.07033	20.2
107.04932	1.5
107.08586	17.0
109.06525	14.0
109.10158	50.4
111.04434	0.9
111.08090	4.2
111.11696	2.5
113.06006	1.8
113.09606	2.5
115.07596	2.2
117.07034	0.9
119.08576	17.8
121.06538	1.1
121.10143	13.5
123.04436	2.0
123.08055	5.3
123.11707	16.2
125.05945	0.8
125.09631	3.8
127.07571	2.0
127.11171	4.3
129.07024	1.3
131.08568	3.6
133.06487	1.8
133.10132	60.3
134.11037	0.9
135.07983	1.3
135.11693	17.0
137.06010	5.6
137.09605	11.1
137.13266	4.9
139.07530	0.9
139.11176	5.8
140.10670	1.0
141.09081	1.1
147.08061	1.4
147.11693	14.6
148.68723	0.7
149.06013	1.0
149.09583	1.8
149.13274	5.7
151.07544	2.2
151.11185	31.3
151.14821	5.3
152.07077	1.4
153.12695	2.4
155.06091	0.7
155.07068	7.0
155.10667	21.8
155.14316	2.1
157.10172	1.8
163.14816	0.9
165.09082	1.1
165.12729	3.9
165.16402	14.2
166.71107	0.8
167.07072	5.4
167.14314	9.5
175.11201	5.3
175.14822	15.6
179.10641	2.7
193.04863	0.9
193.08563	2.0
193.12233	15.8
193.15878	38.2
211.11455	1.6
211.13324	11.3
211.16928	100.0
211.37811	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.21327	1.4
53.00341	1.5
53.03930	3.9
53.49466	1.4
55.01875	7.3
55.05514	36.2
55.08079	1.2
57.03442	18.9
57.07076	13.8
59.04989	5.8
65.03921	2.1
66.55111	1.3
67.05507	59.1
69.03429	14.4
69.07069	48.0
69.47067	8.4
70.47752	1.1
71.01341	1.9
71.05001	22.1
71.08627	2.6
72.08166	2.4
73.02892	2.0
78.18499	1.3
78.46368	1.3
79.05500	22.4
80.98755	1.2
81.03419	21.2
81.07058	70.6
83.04987	33.8
83.08151	1.6
83.08630	25.7
85.02919	8.8
85.06078	1.5
85.06547	20.5
87.04456	2.0
91.04964	2.1
91.05481	25.2
93.07048	51.4
95.04977	24.8
95.08609	100.0
97.06533	14.9
97.10171	10.7
99.04481	6.2
99.08099	8.7
103.05488	2.4
105.07032	29.2
107.04940	3.1
107.08597	52.7
109.06532	23.3
109.10160	76.8
111.04410	1.7
111.08086	24.8
111.11736	3.0
113.05993	3.7
113.09643	4.1
117.06966	1.3
119.04893	1.5
119.08586	69.3
121.06491	3.4
121.10161	22.1
123.04401	3.2
123.08067	20.5
123.10822	2.1
123.11710	35.2
125.09616	13.1
127.07541	3.5
127.11197	1.8
129.07008	4.3
131.08563	5.2
133.10135	45.9
135.08044	2.4
135.11694	72.3
137.06004	2.4
137.09616	31.2
137.13225	1.6
139.11226	6.2
141.09085	4.9
141.12779	1.3
145.10101	1.6
147.08031	1.8
147.11702	18.5
149.09616	5.1
149.13268	13.8
151.03925	1.7
151.07573	5.8
151.11174	12.8
151.14813	12.0
152.07040	3.9
153.12762	9.1
155.07033	2.0
155.10658	8.4
157.10146	5.5
159.38931	1.3
163.14787	4.3
165.09094	1.7
165.12733	3.8
165.16368	5.5
167.07040	5.4
167.10632	7.3
175.11189	10.4
175.14833	37.8
179.07027	4.2
179.10658	4.1
180.79172	1.2
181.08594	1.8
181.15941	1.7
193.08598	3.6
193.12224	19.4
193.15898	29.7
194.08098	1.4
211.09612	1.7
211.11349	2.4
211.13287	13.0
211.16922	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
50.14927	0.8
53.03948	4.1
55.01622	1.1
55.01875	15.4
55.05513	13.1
56.96556	3.2
57.03442	11.6
57.07074	1.6
59.04984	1.3
65.03952	4.1
67.05508	33.8
69.03080	1.4
69.03436	19.3
69.07069	9.2
71.01365	7.3
71.05006	4.7
74.16911	0.9
79.05495	16.8
81.03420	13.5
81.07066	23.5
83.01349	6.7
83.04992	9.4
83.08621	6.5
85.02888	2.1
85.06541	2.0
87.04485	0.9
91.04901	0.8
91.05484	20.6
93.03396	4.1
93.07050	17.3
95.04974	48.8
95.08614	22.1
97.02878	2.5
97.06552	5.0
97.10171	1.7
97.99157	0.9
99.04456	1.2
99.08069	1.1
101.02361	2.2
103.05433	1.3
105.03390	2.5
105.04468	1.2
105.07041	12.9
107.04948	4.1
107.08603	12.3
109.02869	3.4
109.06528	9.2
109.10157	22.7
111.04432	2.8
111.08080	4.9
113.02370	5.0
113.06000	1.4
115.05450	1.5
116.46021	0.8
117.01860	3.0
117.07015	3.5
119.08588	19.3
121.06509	5.6
121.10141	6.1
123.04436	37.2
123.08070	11.4
123.11688	4.0
125.02369	8.6
125.05959	0.8
125.09640	4.6
127.03938	1.3
128.06203	1.4
129.07025	8.0
131.08572	2.4
132.05724	1.3
133.02849	4.8
133.06494	2.0
133.10149	9.5
135.08089	4.9
135.11702	11.2
137.05997	3.1
137.09622	6.1
139.03905	6.6
139.11179	2.5
143.03444	3.7
145.10065	0.8
147.08055	10.0
147.11694	7.1
149.05959	1.0
149.09656	4.7
149.13243	1.1
150.03197	1.4
150.04800	0.7
151.03912	73.9
151.07512	2.1
151.11185	5.3
151.14827	1.4
152.32085	0.8
155.03378	3.4
155.08565	1.2
157.06445	1.7
157.10150	3.7
165.05580	0.9
165.09155	4.7
165.12885	3.8
167.07030	2.8
167.10695	7.5
169.04979	35.7
169.10124	1.6
175.07558	2.9
175.11259	4.3
175.14810	5.8
183.11716	1.2
193.08623	29.2
193.10535	1.4
193.12204	8.9
193.15865	5.3
211.09651	100.0
211.13153	4.7
211.14928	2.4
211.16762	1.8
218.64525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9408
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36967	100.0
75.16997	30.1
75.74233	32.7
98.20862	47.6
167.54671	32.4
179.04053	36.1
210.94101	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01866	2.2
55.05513	11.4
57.03445	100.0
57.07068	1.8
59.05011	1.0
62.15753	0.6
63.88537	0.6
64.61086	0.7
65.03950	1.4
67.05510	13.3
69.03433	4.7
69.06721	1.0
69.07077	12.9
69.40737	1.1
69.41150	4.4
70.11307	0.6
71.01339	0.7
71.04991	2.8
79.05503	9.2
81.03422	11.0
81.07067	19.1
83.04995	8.1
83.08622	5.8
85.02904	1.8
85.06544	2.6
91.05492	9.6
93.06466	1.1
93.07053	15.4
95.01389	0.8
95.04983	9.6
95.08617	20.7
97.02898	0.8
97.06553	6.3
97.10181	2.2
98.20749	1.2
99.04449	0.9
99.08084	1.4
105.07046	9.0
107.04943	0.8
107.08602	11.2
109.06520	7.1
109.10167	19.0
111.04464	1.9
111.08097	6.2
111.11736	1.1
113.05983	0.7
117.06993	0.8
119.04964	0.9
119.08599	15.1
121.06501	1.3
121.10168	10.4
122.21894	0.6
123.04419	1.4
123.08086	11.5
123.11724	9.0
124.05245	0.7
125.05984	0.9
125.09641	10.4
127.07578	1.0
129.07013	1.6
131.08577	2.6
133.06479	0.7
133.10161	8.7
135.08080	1.2
135.11726	7.9
137.05963	1.3
137.09624	9.8
137.13234	1.5
138.10449	0.8
139.03940	1.6
139.11208	4.4
140.04698	1.3
147.08064	2.2
147.11685	7.4
149.05925	0.7
149.09613	5.1
149.13252	2.9
151.03955	0.7
151.07603	1.1
151.10132	1.1
151.11220	14.0
151.14798	4.1
155.06970	2.1
155.10634	1.4
157.10143	2.4
165.09131	2.1
165.12788	3.2
165.16415	2.4
167.07076	6.8
167.10689	17.1
167.21823	0.6
169.10202	0.6
169.12283	0.7
175.11232	4.2
175.14856	7.6
183.11794	0.7
193.08630	0.9
193.12273	9.6
193.15903	53.2
198.24139	0.8
211.07739	1.2
211.09642	10.9
211.11496	1.0
211.13184	4.8
211.14894	1.1
211.16937	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	209.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05624	2.4
55.05265	3.6
55.05511	45.9
57.07074	32.7
67.05495	4.5
69.07075	100.0
71.08639	13.1
71.08952	2.6
71.55165	3.3
73.44202	2.6
77.54618	2.3
80.46881	3.0
81.07056	3.7
83.08623	56.0
85.10154	5.3
97.10181	49.7
107.08549	2.6
108.11584	2.4
109.10151	2.9
110.40093	2.5
111.11731	18.8
133.65840	2.7
150.05484	2.5
154.55319	2.5
155.40941	2.5
159.62715	2.5
178.20593	2.9
183.10179	2.9
209.11517	3.8
209.13364	4.8
209.15329	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99203	0.9
53.03950	1.2
55.01870	1.1
55.05516	7.1
57.07071	1.8
59.04991	2.1
66.90878	0.7
67.05508	7.7
69.03082	1.1
69.03433	13.1
69.07069	11.9
69.65133	3.8
71.04996	7.1
78.15703	0.6
78.87400	0.8
79.05492	6.4
81.03387	0.7
81.07057	13.2
82.86568	0.7
83.04983	12.2
83.08616	5.4
85.06526	1.1
91.05490	6.5
93.07051	12.6
95.04968	8.4
95.08614	26.5
97.06541	8.5
99.08087	4.3
103.05450	1.2
105.07043	11.0
106.04173	2.1
107.04964	1.5
107.08601	40.9
107.73814	0.7
109.06519	10.8
109.10162	15.3
111.08110	4.3
113.09655	1.3
117.06998	1.3
119.08563	5.3
121.06506	7.5
121.10149	38.9
122.07310	0.9
123.08089	6.4
123.11715	3.0
125.06008	1.5
125.09641	12.0
130.07799	0.9
131.08585	6.4
133.10129	16.5
135.08066	16.4
135.09103	0.8
135.11667	7.4
137.09610	4.1
139.11176	4.3
143.08563	1.1
145.10149	5.4
147.08084	1.0
147.11693	7.7
148.08737	0.9
149.05989	3.3
149.09633	13.4
149.13255	18.9
151.11191	100.0
153.09120	3.3
158.10968	2.9
163.11214	5.8
163.14822	9.3
165.12772	9.7
173.13261	16.6
177.05618	1.9
191.14316	44.6
209.08107	1.0
209.11742	1.9
209.15366	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.99203	0.9
53.03950	1.2
55.01870	1.1
55.05516	7.1
57.07071	1.8
59.04991	2.1
66.90878	0.7
67.05508	7.7
69.03082	1.1
69.03433	13.1
69.07069	11.9
69.65133	3.8
71.04996	7.1
78.15703	0.6
78.87400	0.8
79.05492	6.4
81.03387	0.7
81.07057	13.2
82.86568	0.7
83.04983	12.2
83.08616	5.4
85.06526	1.1
91.05490	6.5
93.07051	12.6
95.04968	8.4
95.08614	26.5
97.06541	8.5
99.08087	4.3
103.05450	1.2
105.07043	11.0
106.04173	2.1
107.04964	1.5
107.08601	40.9
107.73814	0.7
109.06519	10.8
109.10162	15.3
111.08110	4.3
113.09655	1.3
117.06998	1.3
119.08563	5.3
121.06506	7.5
121.10149	38.9
122.07310	0.9
123.08089	6.4
123.11715	3.0
125.06008	1.5
125.09641	12.0
130.07799	0.9
131.08585	6.4
133.10129	16.5
135.08066	16.4
135.09103	0.8
135.11667	7.4
137.09610	4.1
139.11176	4.3
143.08563	1.1
145.10149	5.4
147.08084	1.0
147.11693	7.7
148.08737	0.9
149.05989	3.3
149.09633	13.4
149.13255	18.9
151.11191	100.0
153.09120	3.3
158.10968	2.9
163.11214	5.8
163.14822	9.3
165.12772	9.7
173.13261	16.6
177.05618	1.9
191.14316	44.6
209.08107	1.0
209.11742	1.9
209.15366	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	209.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
54.45709	0.9
55.01867	2.8
55.05521	10.2
57.03431	3.3
57.07076	2.9
59.05006	2.2
65.03938	1.6
67.05510	10.1
69.03149	1.1
69.03442	14.7
69.07077	15.1
69.91409	3.8
71.05001	8.3
77.03909	1.2
79.05508	8.2
79.78074	1.0
81.03415	2.5
81.07067	17.1
83.04992	16.8
83.08630	5.9
85.02883	1.6
85.06505	1.3
89.80999	1.1
91.05489	13.3
92.97615	1.1
93.03402	3.3
93.07052	18.4
95.04983	9.6
95.08614	30.9
97.06522	7.4
99.08093	5.7
103.05461	3.5
105.07036	12.1
106.04189	6.7
107.04939	2.9
107.08609	44.1
107.90358	1.2
109.06519	19.0
109.10167	16.9
111.08070	4.4
113.09605	1.5
114.08125	1.0
117.07021	1.1
119.04950	1.3
119.08624	6.1
121.06503	13.8
121.10153	40.9
123.08109	7.8
123.11709	4.3
125.06009	2.6
125.09639	12.2
129.06996	1.8
131.04958	2.3
131.08591	7.1
133.10149	17.0
134.03650	1.1
135.08080	16.4
135.11707	10.7
137.05942	2.0
137.09628	5.7
139.03906	1.4
139.07541	2.4
139.11195	6.0
143.08539	1.6
145.10106	8.1
147.11699	9.9
149.05977	11.5
149.09663	12.6
149.13277	22.4
151.11198	100.0
153.05492	1.2
153.09113	4.1
158.10896	2.6
163.07561	1.6
163.11211	3.9
163.14856	11.9
165.12787	9.7
173.13272	17.6
177.05499	8.0
181.08662	2.6
191.08838	1.1
191.10660	3.3
191.14334	54.0
209.04446	1.6
209.08023	4.6
209.11684	3.7
209.13466	1.3
209.15355	18.9
214.09924	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03950	0.5
55.01863	2.2
55.05521	2.6
57.03435	0.9
57.07081	4.2
59.05014	0.8
64.41002	0.5
65.03932	1.1
67.05509	6.6
69.03434	1.7
69.07069	3.6
69.38473	3.6
69.38884	0.9
70.10526	0.5
71.05009	3.8
79.05487	5.6
81.07064	11.4
83.04996	2.7
83.08622	1.8
85.02885	0.6
85.06551	1.8
91.05492	5.3
93.03417	0.7
93.07048	8.2
95.04974	4.2
95.08614	11.6
97.06543	2.4
97.10174	1.4
98.20786	0.9
98.69910	0.5
99.08085	1.4
102.52129	0.6
103.05479	1.7
105.07047	5.9
106.04192	3.1
107.04978	0.7
107.08600	11.0
109.06525	100.0
109.10161	16.0
111.08070	2.5
117.07020	2.1
119.08559	2.1
121.06504	4.4
121.10149	6.3
123.08078	8.7
123.11688	2.6
123.97439	0.6
125.05993	0.9
125.09673	1.4
131.08580	6.7
133.10153	3.4
135.08066	24.4
135.11674	2.5
137.09604	0.6
139.11227	0.8
143.08559	1.1
145.10146	3.1
147.11697	2.1
149.06017	3.6
149.09602	4.6
149.13280	2.9
150.10410	1.2
151.11191	8.1
153.05492	0.9
153.09099	4.8
158.10939	0.8
161.09575	0.8
163.11259	1.8
163.14816	2.0
165.12804	0.8
171.11769	0.6
173.13277	7.1
177.05504	2.6
179.08583	0.6
181.08575	0.9
191.07098	0.6
191.10690	1.1
191.14317	25.6
191.18002	0.8
209.08124	1.6
209.09769	1.1
209.11719	1.4
209.13464	0.9
209.15359	12.3
209.18997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03934	6.6
53.04319	1.6
55.01867	8.5
55.05502	13.2
57.03431	8.1
57.07060	6.7
59.04994	3.7
59.44174	1.5
65.03948	2.6
67.05502	16.8
69.03436	17.5
69.07065	18.1
70.51284	3.5
71.04982	6.3
77.03926	2.1
78.04689	1.9
79.05493	22.7
81.03407	11.4
81.06586	1.9
81.07055	34.5
83.04981	20.5
83.08632	9.7
85.02906	3.0
85.06523	5.9
91.05481	27.3
93.03423	8.0
93.06475	3.1
93.07043	44.1
95.04969	32.2
95.08607	30.4
97.02876	1.7
97.06528	32.7
97.10178	4.1
97.57399	1.6
99.04458	4.2
99.08099	10.9
100.93982	1.5
103.05470	9.5
105.07030	19.9
105.74090	1.4
106.03514	2.2
106.04169	12.2
107.04936	6.5
107.08596	56.3
109.02771	1.5
109.06520	73.4
109.10159	21.9
110.32708	1.6
111.04421	2.2
111.08104	10.2
112.39606	1.4
117.03409	1.9
117.07009	3.2
119.04935	1.3
119.06013	1.6
119.08613	13.1
121.06500	46.5
121.10141	42.1
123.08067	21.9
123.11716	13.5
123.57278	1.4
125.05969	6.5
125.09620	8.8
127.07672	1.4
131.04910	5.5
131.08575	10.6
133.10129	27.3
134.03506	1.8
135.08049	23.0
135.11671	9.7
137.05980	3.9
137.09590	7.4
137.13232	2.9
139.07523	6.9
139.11147	3.2
145.10117	7.1
147.11693	10.9
148.05203	3.2
149.04796	1.9
149.05980	38.6
149.09624	58.1
149.13257	19.7
151.11163	26.5
153.09117	26.8
158.10907	3.7
159.04459	1.6
161.13254	1.8
163.07500	4.4
163.11188	10.5
163.14827	14.9
165.12758	68.3
167.14278	4.1
167.96535	1.9
173.13269	21.0
177.05443	11.0
181.08586	4.3
191.07037	2.9
191.10657	6.0
191.14320	36.7
199.02126	2.0
209.08038	7.8
209.11983	3.8
209.15366	100.0
214.06374	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	4.4
55.01850	3.1
55.05510	17.0
56.38356	2.1
57.03442	13.6
57.07063	9.3
59.04998	5.9
62.81655	2.1
65.03925	2.6
67.05514	22.6
68.99779	3.0
69.03414	9.3
69.07064	25.7
71.04983	15.3
71.20188	3.8
73.37220	2.3
79.05080	2.2
79.05504	33.9
81.03398	5.2
81.06583	3.3
81.07056	55.2
83.04976	23.3
83.08627	15.9
85.02893	5.2
85.06526	9.6
89.28546	2.0
91.05482	22.7
93.07047	51.4
95.04966	53.8
95.08053	3.1
95.08609	40.2
97.06528	26.4
97.10156	2.8
99.04462	13.6
99.08101	23.5
105.06415	2.0
105.07037	34.7
106.04237	2.2
107.04938	6.1
107.08593	82.1
109.05798	4.4
109.06522	81.4
109.10159	40.8
111.04408	4.3
111.08060	12.6
113.09660	2.6
117.07023	6.1
119.08587	15.7
121.06517	19.5
121.10142	51.0
123.08072	22.5
123.11700	11.9
125.05965	9.3
125.09631	14.0
128.00269	2.0
129.06996	2.4
131.08568	26.3
133.10129	74.2
135.08055	30.4
135.11678	14.5
137.06088	2.4
137.09601	14.9
139.07530	5.8
139.11185	7.2
143.08548	2.5
145.10101	9.3
147.11710	12.5
149.06007	3.1
149.09619	100.0
149.13255	35.3
151.11185	47.0
153.09102	38.3
158.10913	5.9
163.11166	5.3
163.14838	23.7
167.14366	4.9
173.11775	2.9
173.13266	54.7
177.05478	3.0
191.14302	63.9
209.15372	95.5
219.96262	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	1.7
55.01861	3.4
55.05508	6.6
56.76725	0.7
57.03432	3.2
57.07075	2.3
59.04984	2.1
62.02407	0.9
65.03928	1.6
67.05515	8.5
69.03434	7.7
69.07068	11.1
70.89435	1.9
70.89772	0.9
71.04999	4.2
79.05496	11.8
81.03426	2.4
81.07057	24.8
83.04975	3.8
83.08615	4.5
85.02898	1.3
85.06561	2.0
91.05470	15.6
93.03376	1.4
93.07040	14.8
95.04958	10.8
95.08607	8.6
97.06526	6.9
99.04465	2.2
99.08063	1.7
103.05470	2.1
105.07027	14.7
105.07684	1.3
106.04180	5.5
107.04941	3.1
107.07864	2.0
107.08595	37.4
109.06522	29.3
109.10155	16.9
111.04474	1.0
111.08082	3.2
113.09669	1.0
115.05407	4.7
117.06988	4.3
119.06033	1.2
119.08566	6.9
121.06505	8.2
121.10151	28.3
122.07275	4.6
123.08047	6.7
123.11670	4.3
125.05991	2.4
125.09633	4.4
131.04956	1.0
131.08548	7.2
133.10130	100.0
135.08057	24.5
135.11696	6.0
137.09615	67.0
137.13239	1.2
139.07567	1.5
143.08585	1.3
145.10095	4.4
147.11688	3.9
149.06001	7.5
149.09618	24.2
149.12178	1.6
149.13271	19.7
151.11203	7.1
153.09088	8.2
158.10898	2.4
163.07565	1.1
163.11186	3.1
163.14839	8.5
165.12749	9.8
167.14308	1.5
170.67873	1.0
173.13246	13.1
177.05487	4.6
181.08665	0.9
181.16003	0.9
191.10603	1.3
191.14307	18.0
209.08060	2.8
209.11740	1.4
209.15373	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	2.4
55.01866	2.7
55.05510	8.3
57.03428	5.7
57.07063	4.4
59.04988	3.5
64.30743	1.2
65.03925	1.6
67.05504	14.1
68.99788	2.7
69.03419	4.7
69.07076	13.3
70.67219	4.5
71.05006	6.8
79.05502	10.3
81.03405	2.9
81.07063	23.4
82.56375	1.2
83.04988	19.2
83.08601	5.6
85.06554	10.5
91.05469	14.4
93.07052	32.1
95.04973	7.3
95.08607	28.5
97.06539	8.6
99.04480	3.1
99.08102	24.3
103.05451	1.7
105.04464	1.6
105.07051	17.7
106.04185	1.8
107.04966	6.6
107.08601	52.0
109.06537	14.1
109.10163	18.5
111.04424	2.4
111.08089	9.9
117.07008	2.1
119.08551	6.3
121.06500	13.6
121.09334	2.6
121.10152	40.3
123.08076	20.3
123.11730	7.8
125.05997	9.1
125.09637	14.1
125.13277	1.5
125.51802	1.2
131.08583	15.0
133.09143	1.4
133.10133	26.3
135.08063	21.1
135.11685	5.2
137.09634	10.3
139.07536	5.5
139.11169	4.4
145.10136	4.4
147.11705	6.4
149.06036	2.0
149.09627	100.0
149.13254	25.2
151.09956	2.4
151.11189	46.4
153.09114	13.8
154.09807	2.4
158.10898	3.0
163.11168	6.3
163.14828	18.5
173.13275	22.4
191.12920	1.0
191.14307	36.4
209.15375	54.4
209.17390	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.47826	1.1
53.03950	1.3
55.01865	4.3
55.05513	19.9
57.03432	1.9
57.07075	6.0
58.67574	1.0
59.04998	2.3
65.03923	2.7
67.05507	13.9
68.99776	1.5
69.03080	1.8
69.03429	21.8
69.07074	14.3
70.69299	2.8
71.04999	7.4
76.18505	1.0
79.05491	12.4
81.07063	15.4
83.04982	22.5
83.08628	6.8
85.02901	1.9
85.06539	9.1
88.94769	1.1
91.05482	10.1
93.03415	1.5
93.07044	19.0
94.21082	1.1
95.04987	9.9
95.08052	1.7
95.08613	21.0
96.08938	2.7
97.06527	6.7
97.10168	23.2
99.04453	1.7
99.08089	16.0
101.06054	1.6
103.05466	2.6
105.07040	10.9
106.04149	2.7
107.04962	2.4
107.08601	42.0
109.06533	14.9
109.10162	17.2
111.04456	1.8
111.08074	11.0
113.06019	9.2
117.07018	1.6
119.08578	5.7
121.06491	8.6
121.10150	34.1
123.08067	5.0
123.11713	6.0
125.06006	5.3
125.09630	100.0
127.07526	2.2
131.04916	1.9
131.08577	7.3
133.10144	12.1
135.08057	12.9
135.11681	6.1
137.09625	4.7
139.07529	5.0
139.11172	5.5
145.10143	4.2
147.08195	1.2
147.11682	5.4
149.06010	6.1
149.09625	76.9
149.13235	14.3
151.09972	2.3
151.11183	39.5
153.09102	19.5
154.09885	1.7
158.10930	1.7
163.11215	2.6
163.14850	14.1
165.12721	1.8
167.10704	3.3
167.14291	3.1
172.82401	1.1
173.13274	13.9
177.05492	4.6
181.04988	1.7
181.08606	1.3
191.10719	2.5
191.14325	40.4
209.04488	2.6
209.08047	2.5
209.15381	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	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03940	3.6
53.36450	1.3
55.01860	4.0
55.05516	88.9
57.07075	3.9
59.04989	5.5
67.05513	12.8
69.03429	9.1
69.07069	11.1
69.50226	4.9
69.50654	6.7
71.04990	5.2
79.05499	12.8
81.07062	18.5
83.04990	100.0
83.08624	43.4
84.83221	1.5
85.02918	3.2
85.06534	4.6
89.06038	2.7
91.05467	7.7
93.07054	20.9
95.04980	27.6
95.08620	13.9
97.02885	1.9
97.06544	13.2
97.10175	11.2
98.21309	4.6
99.04449	5.1
105.07021	10.2
106.04186	1.9
107.04955	2.8
107.08602	35.6
109.02949	1.6
109.06518	19.9
109.09463	2.5
109.10167	30.6
111.04424	4.2
111.08086	15.0
113.09668	3.7
117.07003	2.2
119.08571	4.8
121.06492	6.4
121.10152	37.4
123.08050	5.2
123.11112	1.2
123.11720	13.5
125.06005	12.0
125.09628	12.9
129.01465	1.6
131.08592	5.1
133.10149	14.7
135.08035	7.9
135.11725	3.9
139.77994	1.4
145.10149	3.6
147.11716	2.1
149.05972	3.2
149.09607	4.8
149.13274	9.9
151.07600	1.6
151.11195	56.3
153.05424	2.0
153.09108	10.1
159.61826	1.7
163.07576	1.8
163.11055	1.8
163.14830	8.2
167.14328	97.5
173.13304	9.4
177.05519	4.7
191.10651	2.3
191.14297	10.8
209.04352	2.3
209.08138	3.7
209.11832	13.0
209.15379	57.6
209.17380	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	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
50.35372	0.8
53.03936	1.5
55.05500	4.0
57.03423	2.7
57.07066	2.7
59.40575	0.8
62.22806	1.0
67.05515	7.4
68.93016	0.8
69.07072	8.1
69.71873	5.0
70.30519	0.9
71.04987	2.0
79.05508	6.6
81.07057	14.6
83.04964	2.2
83.08621	3.1
85.06532	3.5
91.05488	9.7
93.07052	27.2
95.04963	1.1
95.08614	28.4
97.06543	1.3
98.52972	0.8
99.08053	1.2
105.07035	18.4
107.08599	55.4
109.06509	3.0
109.10168	13.0
111.08084	2.7
119.08589	38.1
121.10146	11.3
123.08083	6.6
123.11720	6.7
131.08553	2.6
133.09128	1.8
133.10141	43.8
135.11699	100.0
137.09628	7.0
145.10127	3.0
146.10960	1.3
147.11702	30.4
149.13274	9.9
151.11186	14.9
161.13228	4.9
163.14844	13.8
165.12714	1.9
189.16393	98.5
190.16830	0.9
207.17455	70.1
220.30237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03940	1.4
55.05506	5.9
55.94244	1.3
57.07055	4.0
59.04985	1.8
67.05183	1.8
67.05509	30.3
69.03419	3.0
69.07053	4.0
70.66875	3.7
71.04983	2.0
79.05473	6.6
81.07065	8.0
83.04961	3.5
85.06550	10.1
85.67296	1.2
89.11369	1.1
91.05476	8.1
93.07043	13.3
95.04951	4.7
95.08612	100.0
96.16034	1.3
97.06501	1.6
105.07026	17.8
107.08607	16.6
107.10587	1.2
109.06516	6.6
109.10156	3.0
111.08051	2.4
112.02074	1.0
113.06023	7.3
115.96423	1.6
118.30885	1.2
118.49255	1.2
119.07809	2.0
119.08588	23.9
121.06502	3.9
121.10146	13.4
123.08076	49.6
123.11723	7.8
129.06966	1.5
131.08537	4.8
133.06500	2.8
133.10159	6.0
135.11734	6.0
137.09610	4.6
137.13271	2.1
143.08507	1.6
145.10030	2.3
147.08025	4.3
147.11708	14.2
149.09627	62.1
151.07484	3.8
151.14799	4.1
156.09273	2.7
159.08069	1.3
161.09579	1.5
161.13255	19.0
163.11177	2.5
165.09070	2.0
165.12778	12.6
171.11682	5.1
174.10335	2.8
175.50267	1.2
179.14314	3.2
189.12770	22.3
192.09282	1.8
207.06421	1.9
207.09698	2.4
207.13785	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03931	1.7
55.05518	6.0
57.03419	3.5
57.07064	4.2
67.05501	6.9
69.07075	8.8
69.82278	1.0
71.04978	1.6
79.05494	8.8
81.07056	15.6
82.63444	1.0
82.86363	1.1
83.05006	1.6
83.08607	4.5
85.06535	4.7
85.26788	1.0
87.80855	1.0
91.05483	8.6
93.07046	24.4
95.04996	1.2
95.08609	30.6
97.06485	1.3
105.07032	21.3
107.08598	51.5
109.06521	2.7
109.10151	12.4
111.08076	2.8
117.07001	1.5
119.08582	39.9
121.10149	9.1
123.08086	5.0
123.11721	7.9
131.08546	3.3
133.10136	42.6
135.11693	95.1
137.09612	6.7
137.13202	1.3
145.10129	3.4
147.11688	30.5
149.13248	12.2
151.11195	14.9
159.11757	1.3
160.12515	2.0
161.13254	5.6
163.14816	16.2
165.12738	3.6
165.16379	1.1
187.14790	0.9
189.16385	100.0
207.17444	66.1
223.56885	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.02446	1.0
53.03939	3.3
55.01861	2.1
55.05516	8.3
57.03436	2.6
57.07077	5.6
58.03067	0.9
59.04988	2.0
65.03930	3.9
67.05508	34.4
69.03436	53.8
69.06722	1.5
69.07072	19.8
70.51794	1.1
70.52130	2.7
71.04978	4.9
71.73158	0.9
75.60033	1.2
79.05064	1.3
79.05496	16.8
80.06278	1.2
81.03429	8.9
81.07063	20.3
83.04993	9.7
83.08612	2.0
85.02917	8.9
85.06544	2.0
91.05479	14.5
92.17657	1.1
93.07053	16.3
95.04972	25.6
95.08612	23.6
97.02891	4.2
97.06534	11.6
99.04456	2.4
103.05486	1.4
105.04538	1.2
105.07033	35.1
107.04946	3.3
107.08605	18.1
109.06537	16.6
109.10169	11.3
110.07281	4.8
111.08099	12.0
113.05953	1.6
117.07007	4.9
119.04954	2.2
119.08589	31.4
121.06507	6.8
121.10148	26.8
123.04440	49.4
123.08080	14.8
123.11743	6.5
129.07004	1.7
130.07819	1.1
131.08556	4.4
133.06535	6.3
133.10138	100.0
135.08055	4.7
135.11714	6.2
137.06001	12.7
137.09634	13.0
139.11163	1.1
141.06990	2.4
143.08560	3.6
145.10097	8.4
147.08090	8.0
147.11688	18.2
149.09633	11.1
151.07549	6.0
151.11189	1.6
156.09346	11.3
159.08067	1.8
159.11705	5.6
160.08951	1.4
161.09608	2.5
161.13263	20.9
163.11186	12.9
165.09111	1.7
165.12769	3.8
171.11685	12.7
174.10413	7.9
175.03847	1.7
177.12779	3.6
177.22803	1.3
179.14276	4.3
189.09138	2.1
189.12770	25.0
207.06561	3.7
207.13814	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05504	3.6
57.07060	5.4
59.05001	1.6
62.80000	1.0
65.03938	1.2
66.45592	1.2
67.05171	2.1
67.05508	25.7
69.03420	2.7
69.07061	2.1
69.65461	7.1
71.05025	1.2
75.73923	1.2
79.05495	3.4
81.07072	5.9
83.04977	3.0
85.02893	4.8
85.06550	9.7
91.05463	5.7
93.07049	11.1
95.04955	2.7
95.08610	100.0
105.07033	10.6
107.08601	14.8
109.06477	2.6
109.10149	4.2
111.08063	1.7
113.05996	8.2
119.08590	22.8
121.06516	2.4
121.10144	11.2
123.08067	53.5
123.11694	9.0
131.08560	4.4
133.10123	4.2
135.11691	5.2
137.09644	2.4
143.08612	1.3
145.10063	2.0
147.08011	3.7
147.11736	9.5
149.09619	30.5
151.07497	1.7
151.14807	4.4
156.09323	2.4
161.09647	1.4
161.13251	13.9
163.11108	2.4
165.09070	2.7
165.12755	10.5
171.11679	1.8
174.10393	4.2
179.14281	1.8
189.12776	15.7
207.13814	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03934	1.9
55.01857	2.0
55.05498	5.3
57.07064	3.1
59.04996	2.9
65.03926	1.9
67.05507	12.6
69.03094	1.3
69.03436	17.2
69.07068	8.3
69.69345	8.3
71.04973	2.8
79.05494	11.2
81.03434	2.2
81.07055	13.1
83.05009	6.3
83.08598	2.5
85.02908	18.3
85.06525	5.5
91.05482	30.0
93.07051	10.4
95.04978	10.6
95.08605	11.3
97.06517	3.7
97.10131	1.2
97.12634	1.2
103.05472	2.1
105.03414	1.1
105.07037	39.8
107.04964	6.6
107.08600	17.0
109.06527	31.1
109.10126	5.9
110.07306	1.7
111.08061	3.8
117.07040	4.6
118.04190	2.5
119.04946	19.4
119.08588	37.1
121.02875	1.2
121.06519	3.7
121.10146	24.4
123.04438	11.6
123.08082	15.8
123.11729	10.8
125.09595	3.5
128.06241	4.2
129.06998	4.3
130.07803	3.0
131.08565	13.7
132.09369	1.4
133.06474	4.4
133.10139	27.3
135.08026	1.3
135.11725	2.7
137.05956	2.8
137.09645	8.5
141.06967	3.6
143.08551	6.9
145.06525	2.1
145.10139	12.4
146.10861	3.5
147.04420	14.5
147.08051	12.7
147.11697	52.3
149.02339	4.5
149.09615	9.5
151.07552	10.1
155.08527	2.0
156.09348	13.6
157.03929	1.8
159.08046	5.0
159.11702	2.2
160.08795	1.9
161.05972	4.1
161.09584	3.7
161.13258	19.6
163.11168	13.0
164.04698	2.3
165.09094	1.8
165.12756	3.3
171.11710	7.5
174.10435	11.3
175.03922	23.1
179.07059	2.7
189.12752	43.8
192.04138	6.7
207.06558	16.1
207.13809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05501	2.7
57.07063	1.7
59.86369	1.1
62.31364	1.0
65.03895	1.4
67.05502	4.7
69.03406	1.3
69.07066	2.7
70.59883	2.4
70.60241	1.6
71.04975	2.2
79.05494	4.0
81.07058	11.7
83.04982	2.1
85.02908	100.0
85.06548	1.4
90.86778	0.9
91.05476	13.4
93.07058	5.4
95.04964	2.1
95.08607	6.0
97.06514	1.3
97.51948	0.9
99.89397	1.2
100.14667	1.0
101.46429	1.0
103.05465	1.6
105.06378	1.7
105.07033	20.3
107.08594	8.3
109.06530	6.7
109.10159	13.5
117.07037	2.8
119.04917	5.6
119.08591	19.5
119.09386	0.6
121.06506	1.7
121.08449	1.6
121.10155	11.4
123.08104	5.0
123.11712	58.0
125.05975	8.2
129.07025	1.2
131.08575	4.4
133.06496	2.4
133.10091	3.6
137.05963	1.6
137.09578	2.0
141.06934	1.2
145.10139	9.9
146.11026	1.1
147.04419	4.7
147.08043	5.5
147.11693	25.6
149.02396	1.3
149.09615	12.9
151.07529	4.7
156.09315	4.2
159.08073	1.7
161.09654	1.8
161.13266	3.6
163.11182	2.6
165.12784	2.9
167.88843	1.1
171.11688	2.8
174.10451	1.5
175.03938	5.4
176.00391	1.0
179.06972	2.0
179.47600	0.9
189.09091	1.2
189.12755	14.7
189.23128	1.1
192.04106	2.3
207.06525	7.4
207.13806	54.6
212.21909	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03952	7.0
55.01870	1.5
55.05507	9.4
57.03429	0.8
57.07085	1.3
65.03947	2.0
67.05511	30.3
69.03407	1.0
69.07072	6.1
71.04980	2.1
71.55479	1.4
73.06546	2.3
77.03943	1.3
79.05501	52.7
80.94950	0.9
81.03413	2.2
81.07059	24.2
83.04958	2.7
83.08638	4.9
85.02882	1.0
85.06535	2.1
91.05489	45.8
93.07051	100.0
95.04983	12.8
95.08618	12.3
97.06527	2.2
97.10171	1.4
99.04409	0.9
105.04517	2.5
105.07038	26.4
107.04977	1.6
107.08606	10.1
109.06507	5.9
109.10107	1.9
111.08067	1.5
115.05466	1.0
115.96461	1.7
117.07043	5.7
119.04930	1.8
119.08591	14.3
121.06484	2.4
121.10152	3.5
123.08083	4.1
127.07546	1.9
128.06210	1.4
129.07022	12.1
131.08569	1.9
133.10107	5.0
137.09503	1.3
143.08632	4.0
145.10141	8.7
147.04269	1.3
147.08031	1.6
147.11702	49.4
149.02357	1.2
149.09608	2.0
151.07532	1.8
158.04411	0.9
159.11710	1.0
161.05920	1.4
161.09624	5.6
161.13280	10.7
164.04688	1.2
165.09087	1.2
171.11703	27.5
179.07004	1.4
183.97620	1.4
189.12767	13.4
192.09274	1.1
207.06514	3.7
207.11742	2.5
207.13803	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.9
55.01860	1.9
55.05497	2.2
57.03413	1.2
57.07055	1.8
59.04970	0.9
61.37506	0.8
62.07531	0.8
63.02344	0.9
63.33018	0.9
65.03938	7.7
65.56380	0.8
66.04684	0.8
67.05511	4.0
69.03387	3.7
69.07030	2.9
69.92477	4.1
71.04976	2.0
76.03117	1.8
77.03904	1.4
78.69132	0.7
79.05067	0.7
79.05505	6.9
81.03395	1.1
81.07062	4.9
83.04961	2.0
83.08582	2.3
85.02907	4.8
85.06487	0.9
86.09760	0.9
89.03870	3.2
91.05486	91.4
92.05783	0.9
93.03379	1.2
93.07054	5.9
93.07597	1.2
94.51763	0.7
95.04974	5.0
95.08602	5.3
103.05482	3.8
105.03375	1.9
105.07035	11.1
105.60912	0.7
106.04129	0.9
106.06483	3.4
107.04888	2.5
107.08585	5.3
108.05723	1.5
109.06479	3.4
109.10107	2.8
111.07994	0.9
115.05437	1.3
117.03365	1.0
117.06954	2.3
118.04172	6.8
119.04948	87.7
119.08584	9.3
120.04408	1.4
121.02812	2.7
121.06456	2.2
121.10140	7.3
123.04390	1.8
123.07169	1.0
123.08057	5.6
123.11643	3.3
125.05949	1.2
128.06151	1.1
129.03279	2.8
129.04309	0.9
129.06934	1.2
131.04849	2.3
131.08493	2.4
132.02049	8.4
133.02759	1.1
133.06517	4.0
133.07364	0.8
133.10152	5.6
134.06020	8.7
135.04358	3.0
135.07986	2.9
136.05241	3.8
137.05888	1.6
137.09544	2.5
143.08582	1.8
145.02788	2.5
145.10037	2.8
146.03651	4.8
147.04416	71.4
147.08069	4.0
147.11699	4.9
148.03838	2.4
148.04970	0.9
149.02347	13.0
149.09633	5.8
151.03902	0.8
151.07553	5.5
156.09334	1.1
157.02832	1.0
157.03967	7.0
159.11671	1.9
160.01399	0.8
161.05939	5.4
161.09637	5.1
161.13271	4.6
162.03209	1.3
162.05504	28.5
163.03862	1.9
163.11082	3.2
164.04697	7.8
164.06979	1.6
165.09061	1.2
165.12700	1.8
165.96356	0.8
171.04221	1.0
171.11623	1.8
174.03102	3.8
175.03914	100.0
177.01730	3.2
177.05467	0.9
177.12646	0.9
179.05579	1.2
179.06938	8.8
179.08257	2.1
179.10506	1.2
180.06548	7.9
183.97606	0.8
189.05338	2.9
189.09003	2.7
189.12790	6.2
190.05000	13.6
191.03400	1.0
192.04193	25.7
204.49875	0.9
207.06406	65.5
207.10176	2.4
207.13818	16.0
208.06067	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74435	1.6
56.96553	3.1
61.91530	1.6
65.80360	1.7
68.40456	1.7
70.72019	3.1
75.56762	1.5
80.68938	1.8
82.99821	5.4
98.97559	4.0
101.00890	31.7
103.00635	4.9
119.01922	44.8
121.01665	7.7
122.01997	1.8
124.02448	13.5
126.02155	1.7
137.02950	3.9
142.03505	100.0
143.03540	2.8
144.03259	3.4
160.04567	18.7
164.98564	2.2
165.05168	3.5
182.99652	5.0
188.99092	2.5
191.49474	6.4
191.99446	1.9
192.59546	2.0
200.49966	8.3
201.00365	5.6
201.02351	1.8
201.49998	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0653
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
53.03920	0.9
55.01860	1.9
55.05497	2.2
57.03413	1.2
57.07055	1.8
59.04970	0.9
61.37506	0.8
62.07531	0.8
63.02344	0.9
63.33018	0.9
65.03938	7.7
65.56380	0.8
66.04684	0.8
67.05511	4.0
69.03387	3.7
69.07030	2.9
69.92477	4.1
71.04976	2.0
76.03117	1.8
77.03904	1.4
78.69132	0.7
79.05067	0.7
79.05505	6.9
81.03395	1.1
81.07062	4.9
83.04961	2.0
83.08582	2.3
85.02907	4.8
85.06487	0.9
86.09760	0.9
89.03870	3.2
91.05486	91.4
92.05783	0.9
93.03379	1.2
93.07054	5.9
93.07597	1.2
94.51763	0.7
95.04974	5.0
95.08602	5.3
103.05482	3.8
105.03375	1.9
105.07035	11.1
105.60912	0.7
106.04129	0.9
106.06483	3.4
107.04888	2.5
107.08585	5.3
108.05723	1.5
109.06479	3.4
109.10107	2.8
111.07994	0.9
115.05437	1.3
117.03365	1.0
117.06954	2.3
118.04172	6.8
119.04948	87.7
119.08584	9.3
120.04408	1.4
121.02812	2.7
121.06456	2.2
121.10140	7.3
123.04390	1.8
123.07169	1.0
123.08057	5.6
123.11643	3.3
125.05949	1.2
128.06151	1.1
129.03279	2.8
129.04309	0.9
129.06934	1.2
131.04849	2.3
131.08493	2.4
132.02049	8.4
133.02759	1.1
133.06517	4.0
133.07364	0.8
133.10152	5.6
134.06020	8.7
135.04358	3.0
135.07986	2.9
136.05241	3.8
137.05888	1.6
137.09544	2.5
143.08582	1.8
145.02788	2.5
145.10037	2.8
146.03651	4.8
147.04416	71.4
147.08069	4.0
147.11699	4.9
148.03838	2.4
148.04970	0.9
149.02347	13.0
149.09633	5.8
151.03902	0.8
151.07553	5.5
156.09334	1.1
157.02832	1.0
157.03967	7.0
159.11671	1.9
160.01399	0.8
161.05939	5.4
161.09637	5.1
161.13271	4.6
162.03209	1.3
162.05504	28.5
163.03862	1.9
163.11082	3.2
164.04697	7.8
164.06979	1.6
165.09061	1.2
165.12700	1.8
165.96356	0.8
171.04221	1.0
171.11623	1.8
174.03102	3.8
175.03914	100.0
177.01730	3.2
177.05467	0.9
177.12646	0.9
179.05579	1.2
179.06938	8.8
179.08257	2.1
179.10506	1.2
180.06548	7.9
183.97606	0.8
189.05338	2.9
189.09003	2.7
189.12790	6.2
190.05000	13.6
191.03400	1.0
192.04193	25.7
204.49875	0.9
207.06406	65.5
207.10176	2.4
207.13818	16.0
208.06067	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.045
Annotation	Xanthurenic acid
Peak:m/z	Relative Intensity
50.39647	0.2
70.62675	0.7
81.35278	0.3
94.17420	0.3
96.18194	0.3
104.05009	0.5
120.08112	0.2
132.04465	22.0
132.17845	0.3
160.03975	1.6
178.05006	100.0
179.05493	0.4
180.05334	0.2
193.39104	0.2
201.06583	0.3
206.04501	72.9
207.04759	0.3
207.86024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03944	1.5
55.01873	0.5
55.05514	9.6
57.03434	1.1
57.07076	5.3
60.04527	2.3
61.04855	0.6
65.03957	1.6
67.05508	20.8
69.03429	5.0
69.07069	12.8
71.05011	3.5
71.08636	1.1
77.03929	1.1
79.05497	12.8
81.03419	1.5
81.07063	42.3
83.05002	1.0
83.08616	4.2
85.02901	2.8
91.05482	11.7
93.07047	29.5
95.04967	2.2
95.08612	49.5
97.02901	5.4
97.04877	0.5
97.06537	1.6
97.10174	4.9
98.21512	1.1
99.04450	4.7
103.05474	1.6
105.04556	0.7
105.07037	22.4
107.04976	0.8
107.08601	23.8
109.02873	1.6
109.06518	9.5
109.10162	55.9
111.11713	2.6
113.04240	0.7
115.05431	3.3
116.06311	0.9
117.07017	12.8
119.08588	8.4
119.97912	0.9
121.02860	1.7
121.06518	10.1
121.10147	17.8
123.10819	0.9
123.11714	16.3
127.03951	1.1
127.05872	0.6
128.06229	1.4
129.07022	4.2
130.07791	7.6
131.04922	0.6
131.08575	10.6
133.10181	2.7
135.08066	1.6
135.11708	22.6
137.13272	0.9
140.95308	0.5
141.06882	0.5
143.08562	5.4
144.09358	4.5
145.06497	4.4
145.10130	100.0
146.10826	0.5
147.08064	0.7
147.11676	1.7
149.02365	11.2
149.06004	1.0
149.09659	1.2
149.13271	37.3
149.41922	0.5
155.06075	0.5
157.10161	1.0
159.08063	2.1
159.11700	30.0
161.09590	0.8
161.13290	1.1
162.10320	0.8
163.07520	1.8
163.11180	3.2
163.14847	4.6
163.96826	1.4
169.10117	1.9
172.08815	0.7
173.05974	2.8
175.11203	0.8
177.09146	0.7
177.12793	5.4
181.97908	0.6
187.07619	0.8
187.11192	10.1
187.14835	1.0
205.04988	1.0
205.08826	3.1
205.12254	42.9
205.15886	3.4
205.19531	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	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
52.71964	0.6
53.03951	1.3
55.05510	4.8
57.07077	5.6
60.04511	0.6
65.03935	1.8
67.05499	5.4
69.07072	10.8
71.08643	1.0
79.05502	8.2
81.07061	42.5
83.08626	4.6
87.97949	0.6
91.05478	4.3
93.07050	39.4
94.86726	0.5
95.04961	0.8
95.08612	18.2
95.20967	0.6
97.02903	1.1
97.10184	3.2
98.21523	1.0
105.07022	3.2
107.08598	21.4
109.10162	16.0
111.11724	1.2
119.08589	0.8
121.02876	3.2
121.03997	0.9
121.10150	100.0
123.11718	14.8
135.11697	14.0
137.13268	0.8
149.02351	38.3
149.13266	31.4
163.14845	2.4
184.82446	0.6
205.19533	18.3
217.25308	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
52.91817	0.5
53.03922	0.6
55.05516	3.3
57.07060	2.0
59.70678	0.5
63.69720	0.5
67.05507	3.5
69.07069	10.1
69.32822	1.2
69.33231	3.0
75.48496	0.5
79.05494	6.6
80.83926	0.5
81.07059	39.8
83.08617	2.5
89.96101	0.5
91.05466	3.7
93.07047	33.2
95.04964	0.5
95.08607	15.4
96.70161	0.5
97.02896	0.6
97.10198	2.5
105.07037	2.5
107.08594	14.6
109.10165	12.2
109.10920	0.5
111.11733	0.7
121.02890	0.7
121.10145	100.0
122.10529	0.5
123.11713	5.9
132.31676	0.5
135.11690	8.8
144.98903	0.5
149.02353	7.4
149.13258	24.0
163.14844	1.5
174.25420	0.6
205.19511	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	205.1951
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03919	1.2
55.05513	10.6
57.07075	5.5
65.03911	1.1
67.05505	8.4
69.07069	14.2
71.08610	1.6
75.21932	0.9
79.05497	9.2
81.07061	41.7
82.60371	0.9
83.08627	13.3
83.48904	0.9
91.05499	5.8
92.97183	0.9
93.07047	44.9
94.01777	0.9
95.08608	23.2
97.10152	5.0
105.07009	3.9
107.07862	2.1
107.08599	37.7
109.09470	1.4
109.10167	22.5
111.11725	1.3
112.03424	0.9
119.08576	2.1
121.10149	100.0
123.11713	16.1
135.11697	19.6
149.02339	4.4
149.13264	66.1
163.14816	4.5
184.76871	1.1
205.15900	1.1
205.17671	1.7
205.19547	29.5
212.16959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02379	0.4
53.03948	3.9
54.34172	0.3
55.01876	0.6
55.05531	0.4
67.05518	0.3
70.98185	0.4
70.98508	0.5
77.03925	1.7
79.05502	0.6
81.03423	0.4
83.05001	0.6
85.06529	0.5
86.17220	0.4
91.04904	0.5
91.05486	15.9
93.07048	60.2
95.04972	3.4
103.05480	3.1
105.04527	1.6
105.07035	1.6
107.08599	1.0
117.07001	1.1
119.08591	1.1
121.06509	100.0
122.06888	0.4
127.07512	0.5
129.07025	0.4
130.07758	0.4
131.08559	0.8
134.97247	0.3
135.08063	0.8
135.11688	0.6
144.09346	0.6
145.10149	1.2
147.08102	0.4
159.11696	3.2
163.11179	0.8
175.11099	0.3
177.12701	1.0
187.11241	0.3
193.29031	0.4
205.12244	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	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03944	1.0
55.05514	7.2
57.07083	6.5
60.20032	0.7
65.03935	1.3
67.05516	7.8
68.23369	0.8
69.06735	1.0
69.07076	15.9
69.22730	1.5
69.23141	6.8
71.08643	1.0
79.05499	9.2
79.70365	0.7
81.07063	44.0
83.08622	6.9
91.05482	4.2
93.07050	37.6
95.08620	30.5
97.10175	6.3
105.07042	2.9
107.08602	28.7
109.09470	1.6
109.10163	24.8
111.11702	2.1
111.57493	0.9
117.17345	0.9
119.08600	0.9
121.02901	1.0
121.10152	100.0
123.11729	10.5
131.66055	0.8
135.11699	21.6
137.13213	1.4
149.02344	16.3
149.13268	38.2
163.14835	4.4
169.47153	0.9
184.41307	0.7
205.19533	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	CHEBI:67833
Peak:m/z	Relative Intensity
51.02388	0.7
53.03952	3.3
55.01877	0.7
55.88602	0.3
57.07099	0.3
67.05503	0.4
71.18815	0.4
77.03928	1.3
78.59853	0.3
79.05482	0.5
79.51746	0.4
83.03566	0.4
83.04977	0.6
83.40458	0.3
85.06555	0.7
89.98779	0.3
91.04914	0.5
91.05486	15.3
93.07050	56.5
95.04966	3.3
103.05477	2.3
105.04535	1.6
105.07050	1.4
107.08576	0.8
113.06052	0.4
117.07012	1.0
119.08587	1.2
121.06513	100.0
122.06860	0.7
127.07534	0.4
129.07080	0.7
131.08582	1.3
135.08040	0.9
135.11784	0.5
144.09334	0.8
145.10098	0.9
159.11702	3.8
163.11171	0.3
177.12749	1.2
187.11148	0.7
205.12254	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	205.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01844	0.6
57.03446	1.7
57.07079	0.9
57.71914	0.4
60.04519	0.9
61.02930	12.7
61.10778	0.3
66.09773	0.3
69.03434	14.7
70.79354	0.9
71.04995	1.1
79.78005	0.3
80.00932	0.4
81.03419	4.8
81.07077	0.5
85.02909	100.0
93.07063	1.3
97.02895	8.7
97.04813	0.4
99.04485	3.2
105.84405	0.3
109.02886	15.1
119.97881	0.4
121.06528	1.9
121.10194	0.4
125.94502	0.4
127.03922	21.1
139.03864	0.8
145.04956	3.6
145.10175	0.9
149.02357	5.2
187.06093	0.5
205.07083	1.4
205.08733	0.6
205.10440	0.6
205.12302	1.0
208.90593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	CHEBI:67833
Peak:m/z	Relative Intensity
53.03941	1.0
54.63621	0.4
55.01870	0.5
55.05521	2.3
57.03434	0.7
57.07066	1.2
60.04535	0.7
65.03951	1.1
65.78268	0.4
67.05510	3.5
67.25284	0.4
69.03432	5.2
69.07076	2.2
69.38024	3.5
71.04994	4.2
77.03938	0.5
79.05496	5.7
81.03416	1.1
81.07058	9.8
83.04977	0.9
83.08642	0.5
85.02910	1.9
91.04963	0.8
91.05485	7.7
93.07045	10.1
95.04974	1.6
95.08611	5.0
97.02886	3.2
97.06534	4.2
97.10162	0.7
99.04456	4.3
103.05481	1.2
105.07040	26.8
107.04962	1.3
107.08600	6.9
109.02881	1.3
109.06522	20.2
109.10166	4.2
111.04437	0.9
113.06017	0.5
115.05453	1.7
116.06231	0.9
117.07026	10.4
119.08580	7.7
121.02897	1.0
121.04110	0.4
121.06511	7.0
121.10136	4.0
123.08118	0.5
123.11710	1.6
125.19408	0.5
126.04280	0.4
127.03947	1.1
128.06223	1.3
129.06990	3.2
130.07788	8.0
131.08574	9.8
133.06499	0.5
133.10149	2.7
135.04398	0.5
135.08067	2.3
135.11739	2.9
141.06982	0.7
143.08566	5.1
144.09349	5.2
145.06505	2.4
145.10129	100.0
146.10796	1.1
147.07991	0.8
147.11673	0.7
149.02367	7.1
149.05998	1.3
149.09660	0.7
149.13290	4.8
154.07747	1.2
157.10149	1.2
158.07152	0.6
159.08113	2.1
159.11697	31.9
161.09647	1.6
161.13278	1.1
163.07539	1.9
163.11169	3.4
163.14812	0.7
163.96913	0.7
169.10133	3.3
172.08786	1.1
173.05986	1.0
175.11148	1.5
177.12752	5.6
187.07526	1.1
187.11191	13.7
187.14861	1.4
205.04893	0.6
205.08771	2.1
205.12247	45.0
205.15855	2.4
205.19522	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	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05526	5.5
55.95127	0.8
57.07086	5.1
60.04536	5.5
65.03900	1.1
65.08193	0.9
65.54466	0.8
67.05175	1.1
67.05509	13.9
68.05013	1.0
69.06731	1.0
69.07072	12.1
69.18806	7.8
70.36656	0.8
72.00249	0.8
79.05497	5.9
81.07066	26.0
83.08615	3.5
83.27483	0.8
83.32169	0.8
84.04489	2.4
85.02894	1.1
91.04971	1.5
91.05492	19.1
93.07053	12.8
95.04964	1.7
95.08613	37.9
96.04462	1.0
97.02882	1.8
104.60645	0.9
104.80754	0.8
105.07040	89.8
106.07327	1.2
107.08603	20.2
109.10168	36.2
114.05547	1.6
117.06991	1.5
119.08593	42.3
120.96500	1.4
121.10150	15.4
123.11713	7.5
126.05514	2.6
128.06221	1.0
129.07074	1.0
131.08566	3.3
133.10143	40.2
135.11667	3.5
142.07840	1.2
143.08600	2.5
145.10088	4.4
147.11702	75.8
153.45459	0.9
157.10175	2.3
159.11697	2.8
160.12479	2.3
161.09668	1.7
161.11975	1.7
161.13277	29.2
175.14839	9.0
203.07004	1.8
203.10637	2.1
203.14343	5.9
203.17970	100.0
204.08704	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05511	6.6
57.07051	0.9
61.71003	0.8
67.05504	11.7
69.07062	11.1
71.05630	1.7
71.05963	1.0
79.05502	6.1
81.07060	22.7
83.08617	6.0
91.05486	9.6
91.15157	0.9
93.07045	15.6
95.08607	42.0
97.10153	1.0
105.07033	49.3
106.07774	0.9
107.08596	22.0
109.10160	24.5
117.06970	1.6
119.08582	43.9
121.09328	1.7
121.10151	27.6
123.11740	4.3
131.08589	1.7
133.10129	29.9
133.87457	0.8
135.11685	3.2
145.10117	3.7
147.11690	68.9
159.11699	1.0
160.12466	2.0
161.13257	18.6
175.14804	3.8
181.00284	0.9
191.60832	0.8
194.89514	0.8
203.17957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03934	0.9
55.05514	6.4
57.07079	4.0
60.04531	4.4
67.05505	16.6
69.07071	11.8
69.21497	6.0
69.21910	2.0
79.05495	6.9
81.07061	30.6
83.08642	4.0
84.04498	0.9
85.70684	0.8
91.05495	13.3
93.07052	14.7
95.04975	0.8
95.08615	41.1
96.04488	0.8
97.02898	1.5
97.10130	1.3
105.03428	0.8
105.07037	70.5
107.07879	1.4
107.08601	21.9
109.10164	29.9
115.05454	1.4
117.07014	2.1
117.39938	0.8
119.08588	46.5
121.10151	21.1
123.11697	9.3
126.05469	0.9
131.08586	4.3
133.10136	41.8
135.11691	4.8
142.07808	1.1
143.08525	1.2
145.10127	6.3
147.11696	67.9
157.10112	3.0
159.11676	3.5
160.12491	3.5
161.09602	1.1
161.13263	20.3
175.14832	8.8
185.13229	0.9
203.06946	1.2
203.08754	0.9
203.10730	2.5
203.14322	3.1
203.17969	100.0
204.08699	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.29514	1.0
55.05517	7.1
55.54637	1.2
57.07088	6.1
67.05509	14.0
69.06766	1.3
69.07071	13.0
69.42512	9.5
77.03903	1.2
79.05500	6.6
81.07063	28.1
83.08606	3.5
88.53493	1.1
91.05491	13.2
91.35177	1.0
93.07053	13.9
95.08613	38.2
97.10132	1.2
105.07041	87.7
107.08604	21.3
109.10162	34.8
114.05508	1.1
117.07047	2.8
119.08590	47.7
121.10154	18.4
123.11730	14.9
131.08545	3.5
133.10139	39.2
135.11740	3.4
145.10101	5.9
147.11697	67.1
159.11693	2.2
160.12476	1.9
161.13258	21.2
175.14790	5.1
203.10655	1.9
203.17967	100.0
204.08737	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03933	1.2
55.05512	7.9
57.07065	2.0
60.04527	1.0
67.05502	12.8
69.07075	12.1
70.09703	4.0
79.05499	5.0
81.07059	30.9
83.08627	4.1
91.05476	11.4
93.07042	13.5
95.04945	0.9
95.08611	30.0
98.20822	1.3
98.34384	0.8
100.59840	0.9
105.07038	64.7
107.08601	16.3
108.14205	0.9
109.10161	26.1
117.07001	2.3
119.08585	53.0
121.10145	12.9
123.11713	17.1
126.60670	0.8
129.07056	1.1
131.08537	4.1
133.10135	41.8
133.51294	1.0
135.11697	3.5
137.63455	0.9
145.10104	5.5
147.11696	59.6
148.12454	1.0
157.10191	1.2
159.11710	2.9
160.12463	1.8
161.13274	16.9
173.13266	0.9
175.07541	1.7
175.14795	9.6
203.07043	2.3
203.10699	2.5
203.17961	100.0
204.18439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03936	1.2
53.11587	0.6
55.05513	8.0
57.07064	1.8
60.04510	1.3
67.05177	0.9
67.05505	12.1
68.05024	0.7
69.07071	11.7
71.19802	0.9
79.05491	5.4
81.07059	33.2
83.08629	4.2
84.04454	0.6
91.05481	10.3
93.07045	10.5
95.08612	32.0
97.10120	0.6
105.07036	51.7
107.07880	1.0
107.08601	16.9
109.10159	30.0
115.05438	1.0
117.07000	1.9
119.08585	48.2
121.10149	14.0
123.11712	13.7
129.06998	0.7
131.08560	4.3
133.10135	32.4
135.11719	3.9
143.08565	1.3
145.10117	7.0
147.04665	0.8
147.11690	54.9
157.10138	1.6
159.11743	3.6
160.12492	3.6
161.13268	19.3
171.08142	0.6
173.13188	1.6
174.14079	1.2
175.07516	1.1
175.14850	5.9
197.34831	0.7
203.05354	1.1
203.07085	1.3
203.10669	2.5
203.14301	3.1
203.17963	100.0
204.18338	0.7
224.83122	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03940	1.0
55.05511	6.6
56.57871	0.6
57.07064	2.3
58.88465	0.5
67.05515	10.3
69.07075	12.0
71.08635	0.9
73.28133	0.7
77.32191	0.6
79.05500	6.9
81.07065	20.3
83.08620	6.6
86.23922	0.6
91.05482	10.4
93.07051	19.2
95.08616	38.9
97.10182	0.8
103.05441	0.9
105.07039	56.8
107.08607	20.4
109.10165	22.5
117.07033	1.1
119.08587	40.6
121.10148	27.4
123.11714	4.8
131.08562	3.4
133.10141	32.6
135.11707	3.2
145.10132	5.4
147.11697	77.9
159.11696	2.0
160.12387	1.4
161.13261	20.7
173.13112	1.0
175.14807	5.6
188.63965	0.8
203.17966	100.0
204.08676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03946	0.9
55.05511	7.5
55.51101	0.6
57.07069	2.9
60.04521	0.6
61.59644	0.6
62.78128	0.6
63.34101	0.6
67.05511	10.7
69.07076	13.2
70.69757	1.7
79.05503	7.4
81.07065	20.1
83.08624	7.9
84.04527	0.7
91.05482	13.4
92.54926	0.6
93.07049	22.1
95.08616	38.3
97.10188	1.4
103.05493	1.0
105.07037	64.3
107.08601	20.3
109.10163	24.0
114.05542	0.7
117.07021	1.9
119.08587	44.6
121.10151	34.4
123.11729	5.1
131.08548	3.9
133.10139	34.8
135.11687	4.3
145.10117	5.1
146.09625	0.6
146.10843	0.8
147.11697	82.4
148.12173	0.6
159.11708	2.5
160.12492	2.7
161.13268	22.2
161.14618	1.1
174.14099	0.8
175.14857	5.2
176.42773	0.8
203.17970	100.0
204.08629	0.8
204.18300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.61236	1.6
51.67074	1.7
55.05519	8.0
57.07072	3.4
57.18435	1.4
66.95744	1.3
67.05506	23.5
69.07065	12.5
69.18435	15.9
69.18761	3.2
77.93407	1.5
79.05511	10.7
81.07063	35.5
83.08625	4.6
91.05481	26.8
93.07057	21.9
95.08607	46.2
98.21575	2.1
105.07038	74.4
107.08606	24.5
109.10164	61.3
115.49917	1.8
117.07032	1.9
119.08586	49.6
121.10155	28.1
123.11713	33.1
131.08536	4.8
133.10133	37.4
135.11691	4.5
145.10126	4.0
147.11697	88.6
151.09062	1.3
159.11722	3.1
160.12509	3.3
161.13251	20.5
175.14796	8.1
176.48080	1.3
203.17966	100.0
207.01373	1.4
208.69566	1.6
209.21416	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05517	5.9
57.07077	5.7
58.96344	0.8
62.65954	0.8
63.69398	0.8
65.72275	0.7
67.05515	10.8
69.07076	13.2
70.03950	2.3
79.05510	5.1
81.07066	22.2
81.11065	0.7
83.08625	3.9
91.05491	13.1
93.07053	8.5
95.08618	32.7
97.10146	1.1
105.07042	100.0
107.07886	1.0
107.08609	18.2
109.10163	24.1
117.07025	1.5
119.08595	39.8
121.10159	13.1
123.11720	5.4
131.08563	2.6
133.10146	38.3
135.11696	4.0
145.10135	2.6
147.11703	69.9
159.11711	1.9
160.12511	3.0
161.11995	1.5
161.13280	23.4
170.29407	0.9
175.14836	10.2
180.31482	0.8
180.91307	0.8
203.17976	81.0
215.48218	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.44172	1.1
50.69275	1.4
50.88121	1.6
53.03936	1.7
55.05508	8.4
55.34959	1.5
57.07067	2.0
62.06741	1.3
67.05177	2.0
67.05503	27.6
69.07078	13.4
69.25014	12.2
69.25420	3.2
79.05495	13.2
81.06593	2.5
81.07053	38.5
83.08585	1.8
91.05472	26.0
93.07042	24.1
95.08605	55.6
97.10139	1.5
105.07028	73.5
107.08595	28.9
107.87630	1.3
109.10155	69.5
117.06989	1.6
119.08582	52.5
121.10146	34.6
123.11709	41.3
131.08565	4.5
133.10130	39.1
135.11690	5.9
145.10103	7.1
147.11685	94.8
159.11664	3.3
160.12434	2.5
161.13249	17.8
174.14014	2.2
175.14813	6.5
203.17947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.22320	1.0
55.05497	4.4
57.07064	3.8
63.56874	0.9
67.05508	9.8
69.07068	10.4
69.86022	4.4
79.05492	6.1
81.07060	30.3
83.08601	3.7
91.05486	11.5
93.07050	13.3
95.08611	41.9
97.10172	1.3
105.07031	100.0
107.08596	20.9
109.10158	28.0
109.45541	1.1
119.08585	45.2
121.10151	19.4
123.11728	6.2
131.08553	3.8
133.10133	56.7
135.11671	4.3
145.10086	3.1
147.11690	61.3
153.79008	1.1
157.52132	1.0
159.11758	1.0
160.12462	1.8
161.13254	23.2
175.14825	14.9
203.17963	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	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.37705	1.1
55.05512	6.8
57.02864	1.1
57.07069	4.9
60.89233	1.2
67.05497	9.0
69.07072	12.5
79.05486	3.9
79.48777	1.1
80.51683	1.0
81.07059	27.3
83.08627	3.4
89.30624	1.0
91.05489	10.2
93.07057	8.3
95.08051	2.2
95.08610	26.5
105.07034	100.0
107.08572	10.1
109.10157	21.7
117.07062	1.4
119.08583	44.9
121.10145	11.7
123.11711	4.2
131.08575	3.2
133.10127	54.2
135.11674	2.6
145.10136	3.7
147.11693	59.4
160.12520	2.2
161.13248	22.1
175.14868	14.0
176.79056	1.2
203.17958	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.55394	1.0
55.05512	7.8
57.07073	3.8
60.04518	3.0
67.05515	13.5
69.07072	14.0
79.05494	5.0
79.16811	0.9
79.40717	1.0
79.90726	0.9
81.07062	24.0
83.01202	1.0
83.08624	5.9
84.04508	1.3
91.05479	13.5
93.07044	10.0
95.08613	34.7
97.10151	1.3
105.07041	91.1
107.08601	17.8
109.09469	1.9
109.10169	31.2
109.10929	1.6
117.06990	2.0
119.08591	55.7
121.10156	12.9
123.11716	10.9
126.06930	0.9
130.84554	0.9
131.08575	4.2
133.10144	48.9
135.11703	3.9
145.10098	9.1
147.11697	67.7
157.10191	1.5
159.11676	4.1
160.12457	2.3
161.13280	24.5
174.14076	1.2
175.14871	7.9
203.05350	1.3
203.10696	1.5
203.14281	3.0
203.17970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03942	1.2
54.06177	0.7
55.05506	7.8
57.07079	4.2
60.04530	1.6
67.05507	13.1
69.07071	11.9
75.15898	0.8
79.05490	7.4
79.72657	0.8
81.07060	30.6
83.08619	4.8
91.05484	12.2
93.07051	16.6
95.04966	0.9
95.08607	39.1
97.10103	0.9
97.43646	0.8
98.21521	1.6
105.07033	92.7
107.08600	20.1
109.10158	32.2
109.10918	1.1
117.07027	1.1
119.08582	48.8
121.10141	19.7
123.11707	8.2
126.05524	1.2
128.34967	0.7
129.07013	1.3
131.08559	3.7
132.09361	1.0
133.06398	0.9
133.10133	53.9
135.11716	4.1
143.08528	2.7
145.10141	5.3
147.11690	70.3
157.10066	1.2
159.11687	3.1
160.12453	2.7
161.13261	22.6
173.13284	1.3
175.14838	15.2
184.08083	0.9
185.13197	3.0
203.14372	3.9
203.17960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05506	9.2
57.07062	1.8
57.29151	0.8
67.05503	9.7
69.07069	13.7
69.41548	4.9
69.41953	1.7
79.05495	6.1
81.07063	22.6
83.08621	6.6
91.05479	11.1
91.10722	0.8
93.06474	1.4
93.07038	20.7
95.08608	44.2
102.05431	0.8
105.07030	60.5
107.07874	1.1
107.08595	22.7
108.09537	0.8
109.10155	28.1
117.07030	1.1
119.08579	44.5
121.09323	1.6
121.10144	28.3
123.11696	3.7
131.08553	3.2
133.10129	34.2
135.11674	3.4
145.10114	3.0
147.11688	79.5
159.11699	1.5
160.12424	1.4
161.13261	17.7
175.14813	6.4
182.73961	0.8
203.17955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1123
Annotation	Masutakic acid A
Peak:m/z	Relative Intensity
53.03931	3.0
55.01876	9.1
55.05506	9.6
56.96559	2.1
57.03422	3.1
57.07059	1.4
57.99265	0.7
59.16502	0.8
62.91498	0.8
67.05509	26.5
68.54000	0.8
68.99747	0.9
69.03448	4.4
69.07071	6.3
70.06576	2.5
70.48795	3.0
70.74581	0.7
71.04996	8.6
72.08143	1.6
73.02898	2.8
78.32318	0.9
79.05508	8.8
81.03406	3.2
81.07057	12.8
83.04964	3.9
83.08586	1.8
85.02887	3.8
85.06547	4.3
86.09695	3.8
91.05485	44.6
93.06480	1.7
93.07047	29.5
95.04999	4.6
95.08611	52.1
97.02885	1.5
97.06509	3.8
97.10161	1.6
97.50175	1.0
98.97594	12.7
99.04460	1.9
99.08064	2.7
100.11355	0.9
101.01820	1.0
101.02394	13.4
101.06006	2.2
102.04684	2.8
103.05455	1.3
104.01282	0.8
105.07038	9.8
106.97975	0.8
107.04957	1.3
107.08594	6.1
109.02887	5.8
109.06508	3.8
109.10159	28.8
110.97563	0.9
111.04433	2.6
111.08058	3.0
113.05987	3.1
115.03973	0.8
115.05457	10.0
115.67038	0.9
116.98599	3.5
117.07021	8.8
118.96758	4.4
119.01778	2.1
119.08586	100.0
121.10127	1.6
123.04356	1.0
123.08089	7.7
123.11692	2.5
125.05984	1.3
125.09606	2.2
127.03918	8.6
127.07570	1.0
128.02333	4.5
129.06975	2.8
130.04161	4.6
130.07738	1.1
131.08568	5.9
133.06456	0.9
133.99033	0.9
134.03516	1.1
137.02843	1.6
137.09622	90.2
141.05441	3.7
141.06895	1.0
141.09119	1.3
141.12712	2.5
143.08554	1.7
144.09253	1.3
145.06496	7.3
145.10136	14.0
147.08038	13.7
147.11656	1.7
147.54776	1.0
151.07564	1.4
154.96448	1.1
155.07115	1.4
155.08554	1.6
155.10658	7.8
157.10114	2.0
158.03639	12.8
158.99661	7.3
159.11690	11.2
162.03114	2.2
165.09135	15.6
165.12798	1.5
167.06554	5.2
169.08627	7.6
171.11693	1.2
173.04620	1.7
173.05998	21.3
173.09535	1.7
173.13199	3.3
177.00720	4.6
177.98027	3.4
180.05463	1.7
183.10144	4.6
183.11647	1.4
183.13783	1.2
184.09612	1.0
186.03162	5.3
189.05907	3.9
189.56070	1.0
201.05472	41.3
201.07396	2.0
201.09216	5.2
201.11195	41.8
201.12796	4.1
201.16382	20.0
213.52084	0.9
219.11032	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12869	0.4
58.52769	0.3
70.22717	0.6
70.23108	1.1
72.44296	0.4
81.47786	0.4
82.01446	0.5
82.99844	2.9
83.99903	0.8
97.02831	0.4
98.97603	1.9
100.02472	1.1
101.00889	38.5
101.97211	0.6
102.00955	15.4
102.96868	2.2
103.00624	0.5
113.00844	0.7
116.98663	1.1
119.01930	100.0
119.98220	0.6
120.02013	36.0
120.96524	1.5
120.97894	1.1
121.01673	2.0
121.02430	0.8
124.02490	0.8
125.02598	2.2
131.01907	1.5
135.14090	0.4
135.98845	0.5
137.02965	24.5
138.03052	7.7
138.96466	0.4
139.02660	0.7
142.03508	4.5
143.01964	3.6
143.03627	18.9
144.02042	0.5
144.03275	1.2
145.03456	0.6
156.96266	0.5
156.97475	1.0
157.03505	2.8
160.04535	0.7
161.02982	27.6
161.04668	5.2
162.03110	14.6
163.02698	0.5
163.12547	0.4
173.03001	0.9
174.98569	0.4
175.04518	0.8
179.04025	28.6
179.97855	1.3
179.99229	0.8
180.04144	21.9
181.03851	0.6
184.04567	0.7
185.03035	0.7
185.04781	1.3
191.04062	0.9
203.03922	1.1
203.05768	1.1
203.18159	0.4
221.01811	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
55.05510	1.5
56.96569	5.0
57.03432	1.2
57.07071	0.8
60.08168	25.5
61.01161	0.9
61.02932	1.2
67.05511	0.5
68.05029	5.1
69.03436	1.9
69.07066	1.4
69.61996	2.3
70.06595	5.8
70.98117	1.0
73.02917	1.8
79.05476	0.5
81.03417	0.7
82.01467	2.3
82.06586	0.5
83.08624	1.2
83.25675	0.4
85.01409	1.6
85.02911	4.4
86.06117	0.5
87.04374	0.4
95.06096	100.0
97.02889	2.1
97.06566	0.8
97.10180	0.7
98.21509	0.4
98.97600	3.3
100.02492	6.2
100.62893	0.5
101.00851	1.4
103.02464	4.1
105.03380	1.1
106.06564	0.4
107.04949	2.0
110.01258	0.5
110.52743	0.4
110.97598	1.2
111.05566	1.0
113.00909	0.8
115.02425	0.7
116.98626	0.8
117.50384	0.4
118.03540	1.9
119.01879	2.1
120.01948	0.5
120.03428	0.5
121.03459	1.5
124.07630	0.5
124.95475	1.3
126.04006	1.3
127.03938	1.8
128.02312	2.0
128.98619	0.8
129.00374	1.1
131.01920	1.8
133.01637	0.5
133.03487	0.7
134.06033	0.9
139.05009	0.6
142.96526	1.2
143.00143	0.6
143.01927	0.9
144.05060	1.2
145.04999	1.0
147.01367	2.0
149.02888	0.5
151.03922	0.7
152.01955	1.4
152.07097	1.7
154.02118	0.5
154.03470	0.9
154.13400	34.4
155.01898	0.5
157.03497	0.6
158.99667	0.5
160.97581	0.4
161.02922	0.9
165.08969	0.7
169.90678	0.4
170.02995	5.4
170.06665	1.0
170.08069	0.5
173.02939	0.9
174.99121	1.1
175.02731	0.8
175.04494	0.8
180.06583	1.8
180.08203	0.4
184.04556	0.6
185.02986	0.6
193.00284	1.8
193.01857	0.5
198.06047	0.9
198.07559	3.2
198.12473	10.3
198.18542	36.5
216.07188	2.0
219.01688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57470	0.9
53.03952	1.5
55.01873	1.4
55.05517	3.9
57.03439	10.7
57.07072	2.2
59.05002	2.7
65.03937	1.7
67.05511	11.5
69.03437	18.4
69.07077	5.6
69.42406	6.6
71.04992	2.6
72.08126	1.1
72.14165	0.8
73.89411	0.8
74.09724	8.5
79.05507	4.1
81.03426	1.5
81.07071	5.3
82.07363	1.0
83.04994	2.5
83.08629	2.9
85.02933	0.8
85.06548	1.8
86.09721	1.8
87.04476	100.0
91.05453	5.0
93.03426	1.0
93.07036	7.5
93.07481	0.7
95.04980	30.1
95.08633	2.4
97.06562	2.7
98.97627	2.2
99.04469	4.0
100.07600	1.5
103.05471	1.6
105.07051	2.7
107.08622	4.3
109.02885	1.7
109.06525	2.2
109.10186	1.0
111.04486	3.2
111.08115	1.2
113.06011	13.7
116.97251	5.1
116.98628	1.0
117.07022	0.9
119.08616	1.3
121.06532	4.1
121.10165	5.1
123.04465	2.5
123.08047	1.5
123.11738	1.1
125.02396	1.8
125.05975	1.2
127.03947	2.3
129.07016	1.4
134.96016	1.1
135.08066	1.9
135.11723	1.9
136.16875	0.9
139.07600	1.3
139.11156	2.1
140.04691	18.4
143.08624	2.7
145.10168	1.3
152.97002	1.6
153.05562	1.0
153.09103	1.0
153.12834	1.5
155.07106	3.7
157.10168	2.8
163.07614	1.1
163.11292	1.7
166.06276	1.6
169.45676	0.8
171.11763	1.5
175.98604	4.4
181.05043	1.4
181.08664	10.5
181.12288	3.9
182.08159	2.8
195.00278	0.9
198.18671	0.9
199.04062	1.0
199.05949	2.1
199.08923	2.6
199.11247	2.2
199.13226	1.8
199.14917	5.2
199.18936	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
51.48942	1.9
53.03942	3.6
53.21766	1.9
55.01880	3.4
55.05516	16.3
57.03432	4.0
57.07069	4.1
59.04980	5.8
61.94900	2.6
65.03959	3.1
67.05511	23.6
68.48103	2.8
69.03434	32.9
69.07070	11.2
70.95869	32.0
70.99225	3.4
70.99543	2.1
71.04996	56.7
72.93783	15.8
73.02920	3.2
79.05489	12.3
81.03432	2.3
81.07066	27.3
83.04983	46.5
83.08636	3.9
85.02921	2.6
85.06542	6.0
88.96900	4.8
90.94848	2.7
91.05489	19.2
93.07047	23.4
95.04971	15.2
95.08607	22.1
97.06554	14.0
99.04464	30.9
105.03393	5.5
105.07033	17.8
107.04984	4.7
107.08595	34.0
109.06525	39.8
109.10162	77.9
111.08068	4.8
111.98487	41.0
113.06013	100.0
114.94776	2.5
115.70971	2.1
119.04959	2.9
119.08589	14.1
121.06493	3.2
121.10170	10.2
122.07291	3.0
123.04424	6.1
123.08035	10.6
123.11712	19.9
125.05991	6.9
127.03931	4.4
127.07597	3.6
129.99532	10.3
132.95836	81.5
133.02850	6.6
133.10124	36.6
135.08046	3.3
135.11700	9.7
137.05986	35.1
137.09619	63.0
139.07535	4.2
139.11296	2.2
140.04671	2.1
141.05513	16.6
141.07057	2.1
141.09097	2.4
147.04454	4.6
150.96901	68.7
151.03883	10.0
151.07561	5.2
151.11182	53.3
152.14357	2.5
153.14673	7.2
155.07094	4.9
155.08600	4.4
155.97430	63.2
161.09625	14.0
161.13300	5.4
165.05486	12.9
167.07076	4.7
167.08571	5.0
169.10181	6.6
173.98499	76.3
176.08987	2.0
179.07127	3.9
179.09094	3.6
179.10678	61.2
179.14317	3.4
182.10951	5.1
184.91280	2.0
197.00095	4.6
197.08075	8.9
197.09879	2.9
197.11737	77.5
197.13326	11.0
197.15446	5.7
197.17249	4.6
198.11273	3.9
198.18524	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	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.22665	0.8
55.01865	1.6
55.05512	5.3
55.93515	1.0
57.07056	1.7
59.05008	2.3
67.05498	5.8
69.03423	1.9
69.07055	2.7
69.57249	5.1
70.95863	10.5
71.04973	1.3
72.93798	4.7
79.05497	6.3
81.07069	9.4
83.04967	2.6
83.08605	1.0
85.06562	1.3
88.96900	1.3
89.18233	0.7
91.05485	13.4
93.06475	1.4
93.07048	20.4
95.04967	8.6
95.08611	5.6
97.06509	1.3
99.04480	1.0
100.30909	0.8
102.41707	0.7
105.03409	0.8
105.07040	24.8
107.08604	57.4
109.06525	6.3
109.10193	7.0
111.08096	1.0
111.98492	10.8
112.07584	1.2
113.05982	1.1
117.06995	1.3
118.07788	1.2
119.04954	1.5
119.08592	8.1
121.06533	5.8
121.10153	1.8
123.04407	3.7
123.08043	1.3
123.11717	4.9
125.05998	2.2
129.99498	3.1
131.08618	1.7
132.05717	0.9
132.95848	22.2
133.10139	62.8
135.08115	1.2
135.11703	52.1
137.06023	5.8
137.09625	6.0
141.07001	1.7
143.08537	1.3
146.07269	1.7
150.96902	19.0
151.03865	2.2
151.11197	7.3
155.08511	1.6
155.97430	16.8
156.09399	1.1
161.09633	28.9
161.13283	1.0
165.05524	1.3
167.08553	1.9
169.10201	1.7
173.98523	18.7
175.68121	0.8
178.12001	0.8
179.10686	100.0
182.10936	2.2
197.11740	86.7
197.13280	6.1
198.18552	8.1
208.69838	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
53.03955	1.4
54.11490	0.7
55.01881	1.5
55.05517	2.9
57.03452	1.3
59.05000	1.2
67.05500	7.6
69.03438	4.3
69.07086	2.4
69.18853	4.1
69.19278	2.4
70.95855	5.7
71.05000	1.8
72.93809	2.3
73.46098	0.7
77.85989	0.8
79.05502	5.1
81.03421	12.7
81.07063	15.7
83.04980	1.7
83.08672	0.7
91.05479	7.5
93.07051	14.8
95.04974	13.1
95.08603	6.1
97.06561	1.0
99.04478	1.5
105.07034	16.5
107.08596	21.9
109.06522	21.3
109.10162	24.9
110.93079	0.7
111.98474	6.3
114.97189	0.6
115.05505	0.7
117.07079	0.8
119.04915	1.0
119.08582	12.1
121.06547	1.8
121.10162	2.0
123.04427	4.0
123.08066	3.7
123.11748	4.9
125.05997	1.0
127.04008	0.7
129.99529	2.2
131.08589	1.4
132.95844	13.4
133.10138	32.3
135.08080	1.4
135.11711	6.6
137.06006	1.9
137.09622	22.0
143.08543	2.3
150.96889	9.7
151.03972	0.9
151.11195	30.6
155.97423	10.2
161.09630	12.5
173.98499	10.9
179.10677	100.0
197.00116	1.1
197.09932	1.1
197.11731	29.6
197.13287	1.8
198.18503	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
53.03932	0.7
55.01867	1.4
55.05505	1.3
55.09749	0.5
55.93507	0.7
57.07069	1.6
59.04996	0.8
67.05511	6.1
69.03445	0.9
69.07089	3.0
69.69774	3.1
69.70186	0.9
70.95576	0.5
70.95878	5.5
71.04987	0.8
72.93780	2.6
79.05488	2.4
81.06581	0.9
81.07063	17.1
83.04983	0.6
83.08630	0.6
91.05494	3.2
93.07042	4.9
95.04977	38.9
95.08617	12.9
97.06532	1.1
98.21538	0.6
105.07026	4.1
107.08600	13.9
109.06537	7.5
109.10170	27.6
111.04465	3.0
111.98489	8.9
113.69850	0.7
113.96425	0.7
119.08588	1.9
121.06506	1.0
121.10146	1.5
123.04421	0.9
123.08103	5.5
123.11720	44.5
125.05988	2.1
129.99513	2.1
132.95853	13.6
133.10135	10.8
135.08119	0.7
135.11725	4.3
137.05960	2.5
137.09625	34.3
143.08626	0.8
150.96899	9.0
151.03944	0.9
151.11203	23.4
155.97421	10.2
161.09627	5.9
165.05411	0.9
169.12248	1.9
173.98502	10.2
179.10686	100.0
182.78299	0.5
187.87112	0.6
197.09904	1.0
197.11736	13.4
197.13301	1.4
198.18555	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03926	1.4
55.05510	2.7
56.60782	0.7
57.03420	0.7
57.07061	0.7
59.04994	2.7
59.05806	0.8
61.02935	0.8
65.03916	1.1
66.27533	0.8
67.05498	3.5
69.03417	1.8
69.07071	2.0
70.95863	5.9
71.04990	0.8
71.19453	1.8
72.93793	2.8
79.05502	4.7
81.07068	7.1
83.04993	0.9
85.06551	1.1
90.29388	0.8
91.05488	15.3
93.07049	20.1
95.04969	7.8
95.08608	2.9
97.06547	1.2
99.04458	1.0
105.07035	24.7
107.08599	56.9
109.06512	6.9
109.10166	5.9
111.04419	0.9
111.98478	6.0
119.04952	3.6
119.08588	8.3
121.06497	7.1
121.10130	1.1
123.04424	3.3
123.08112	1.6
123.11707	3.7
125.05967	1.9
125.09666	0.9
129.99489	2.2
131.08598	2.1
132.95839	15.1
133.06453	1.6
133.10143	58.2
135.04355	2.2
135.08102	1.3
135.11702	51.2
137.06004	6.6
137.09592	5.1
140.04716	4.3
143.08546	0.9
146.07283	1.4
147.04407	3.6
148.16811	0.9
149.05974	1.7
150.96901	8.4
151.03963	1.0
151.07617	1.3
151.11197	4.5
155.07034	5.4
155.97430	13.8
160.37317	0.8
161.09633	29.9
167.10747	0.9
173.98494	11.1
179.07169	2.6
179.10681	100.0
197.08046	3.0
197.11743	83.9
198.18530	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
53.03934	2.2
55.01864	6.0
55.05514	16.0
56.71626	0.9
57.03430	1.5
59.04994	1.2
65.03933	1.0
67.05508	7.1
69.03408	4.2
69.07051	3.1
70.95864	15.5
71.04991	2.7
71.21136	1.7
72.08137	1.6
72.93788	6.8
73.02912	1.3
78.04202	0.9
79.05493	7.3
81.07059	26.0
83.04957	3.9
83.08595	1.2
85.06528	2.5
88.96894	1.2
91.05492	9.8
93.07048	12.5
95.04966	5.1
95.08605	6.3
97.06522	7.0
99.04472	8.3
102.37188	1.0
105.03397	1.8
105.07038	17.7
107.04932	2.0
107.08599	29.2
109.05891	1.5
109.06528	16.0
109.10158	17.9
111.04416	2.9
111.98473	20.6
113.06002	1.6
113.96389	1.4
114.94818	1.0
115.05499	1.1
119.04916	2.8
119.08572	7.6
121.06497	3.7
121.10139	3.1
123.04400	2.1
123.08052	3.3
123.11702	4.6
125.05994	65.8
125.09599	1.7
127.03924	23.9
128.06161	2.1
129.99525	4.9
132.95837	38.0
133.02844	1.4
133.10133	30.6
135.08086	1.4
135.11699	20.6
137.05980	100.0
137.09607	13.6
140.04652	3.2
141.09090	1.6
143.08575	3.6
146.07271	1.2
150.96892	25.9
151.03911	7.8
151.07568	1.4
151.11197	10.3
155.07027	3.7
155.97426	28.8
161.08301	1.5
161.09627	22.4
161.13304	1.3
165.05466	2.8
173.98502	29.7
179.07097	3.0
179.10672	56.2
179.14236	2.8
182.05779	1.3
197.00179	1.9
197.06142	1.7
197.08034	2.5
197.11726	46.5
197.13214	2.2
198.18498	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	197.081
Annotation	ACETOSYRINGONE
Peak:m/z	Relative Intensity
53.03947	5.4
55.01868	4.4
55.05526	18.6
57.03442	2.4
57.07085	2.9
60.49779	2.3
67.05500	10.4
69.03435	5.0
69.07073	5.7
70.32751	9.0
70.95866	34.8
71.05002	5.4
72.93793	12.5
79.05484	11.7
81.07062	25.1
83.04979	5.5
85.06525	6.2
88.96902	4.1
91.05482	26.5
93.07047	21.8
94.04211	2.4
95.04977	17.5
95.08589	10.8
97.06532	10.1
99.04454	7.4
105.03383	3.7
105.07054	25.9
107.04961	3.1
107.08613	49.3
108.51228	2.2
109.06524	31.7
109.10177	21.5
111.04440	3.0
111.98484	35.0
113.06007	3.0
117.07050	2.9
119.04957	9.3
119.08553	12.4
121.06504	13.6
121.10121	5.4
123.04438	16.0
123.08079	4.7
123.11712	8.8
125.02364	5.0
125.05084	2.3
125.06007	57.3
127.03965	19.2
129.99510	9.7
132.95848	75.3
133.06511	5.4
133.10139	56.8
135.04445	20.3
135.08054	5.8
135.11720	28.9
137.05984	70.2
137.09615	18.8
138.38347	2.4
140.04697	100.0
141.06982	2.9
143.08545	4.9
145.75491	2.4
149.05974	10.4
150.96899	49.8
151.03885	7.3
151.07568	9.6
151.11217	14.7
153.14603	3.1
155.07045	91.1
155.97430	50.1
161.09651	29.3
162.81432	2.4
173.08003	3.8
173.98506	48.0
174.23758	2.2
179.07185	4.3
179.10680	80.3
179.14325	8.3
179.15851	2.3
182.10869	3.6
196.58327	2.1
197.00066	2.8
197.06242	4.1
197.08084	35.7
197.09702	2.4
197.11745	58.9
197.13310	6.8
197.15256	2.6
197.17274	3.7
198.18573	6.4
204.02542	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
53.03964	0.5
54.87756	0.3
55.01873	1.9
55.05514	1.5
57.03459	0.3
65.03954	1.2
66.67947	0.3
67.05504	2.0
69.03432	0.4
70.32343	0.3
70.32681	0.9
70.95858	2.2
71.04942	0.3
72.93805	1.0
73.02920	23.1
74.32668	0.3
76.09091	0.3
81.07084	0.5
83.05002	0.6
90.94758	0.3
91.05490	2.2
93.03400	0.9
93.68851	0.3
95.04977	0.9
95.08594	0.4
97.06474	0.3
98.21383	0.4
105.04546	0.3
105.07020	0.3
107.08596	0.6
108.02110	1.5
109.06534	0.8
109.10162	0.4
110.03654	2.1
111.04446	0.9
111.98476	3.0
113.96388	0.3
114.94789	0.4
117.03407	0.4
119.04956	1.7
120.71942	0.3
123.04422	0.5
123.08058	0.3
125.05995	18.0
129.99525	1.0
132.95839	5.6
133.10083	0.4
136.01596	0.4
137.05954	1.8
137.09697	0.3
141.05457	2.2
147.04413	0.5
149.05980	3.1
150.96912	3.0
151.03911	100.0
151.05008	8.0
151.07462	3.9
152.04205	0.3
155.97438	4.4
161.09525	0.3
173.98474	3.8
179.07039	21.3
179.10440	0.6
184.57199	0.3
185.02551	0.3
197.06270	0.6
197.08090	10.1
197.11755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	Methyl everninate
Peak:m/z	Relative Intensity
51.02376	0.8
53.03949	2.7
55.01867	2.6
55.05511	3.6
55.93526	0.8
56.96563	6.2
57.03428	1.2
57.07065	0.5
61.02911	0.9
61.34618	0.5
65.03934	2.5
66.04715	0.6
67.05504	6.2
69.03412	2.2
69.07056	1.3
69.80863	1.2
69.81278	2.1
70.95867	18.8
72.08122	0.7
72.93797	7.4
73.02900	1.6
77.03927	4.0
79.05496	8.9
81.03422	1.9
81.07056	6.3
82.92038	0.6
83.04985	0.6
83.08607	1.8
84.04489	1.5
84.96033	0.7
85.02908	1.9
86.09706	0.7
88.96902	1.5
90.94823	1.2
91.05485	32.1
93.07044	2.3
94.04191	5.3
95.04977	5.0
95.08596	5.2
97.02891	3.1
97.06525	1.7
98.97587	17.4
101.00661	0.6
105.03396	22.5
105.04472	1.0
105.07030	0.9
107.04955	4.6
107.08562	1.1
108.05716	0.6
109.02858	1.0
109.06522	23.7
110.01279	1.4
110.38486	0.5
110.97574	1.9
111.08049	1.0
111.98480	19.7
113.96398	2.1
114.94831	1.7
116.98646	3.4
119.01830	1.3
119.04943	9.4
119.42989	0.5
121.06550	1.1
122.03656	7.5
123.04456	0.9
127.03924	0.9
128.02316	5.4
128.98541	0.9
129.99522	4.9
132.95842	39.5
133.02856	100.0
133.10146	1.4
135.04437	5.3
135.11716	1.1
137.05981	62.5
139.07553	1.9
141.03841	0.6
146.99640	0.7
147.04448	3.3
150.04478	0.8
150.96893	26.1
151.03951	1.2
151.07582	0.8
153.05530	2.6
154.06284	1.0
155.97429	32.5
157.08612	1.1
158.99664	8.9
165.05484	39.3
166.05676	3.6
167.07056	5.6
170.99649	0.6
173.98500	28.4
175.06242	1.5
177.00687	3.5
179.07047	0.6
179.10683	1.4
186.03577	0.7
188.05167	6.7
188.55350	0.8
197.00146	1.0
197.04286	0.8
197.05823	5.7
197.07986	5.8
197.11740	1.6
197.55934	1.0
198.18456	0.7
208.56686	0.6
213.04405	1.4
219.01834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03933	1.2
55.01876	2.2
55.05508	1.3
57.07063	0.4
61.02925	1.4
65.03937	1.5
67.05504	2.1
68.99734	0.5
69.03426	0.6
69.07066	0.7
70.65713	1.2
70.95865	4.9
71.04984	0.7
72.71806	0.4
72.93782	2.4
73.02921	24.0
77.03954	0.4
79.05487	2.0
81.07056	2.0
83.04988	1.1
85.02888	0.5
90.94836	0.6
91.05487	8.8
93.03418	1.3
93.07055	1.4
94.04189	1.1
95.04973	1.2
95.08601	2.0
97.06538	0.9
99.04451	1.2
103.05490	0.4
105.03391	0.4
105.07024	1.8
107.04934	0.5
107.08603	3.2
108.02063	2.4
109.06522	12.1
109.10170	2.7
110.03682	2.4
111.04478	1.2
111.98476	4.7
114.94886	0.6
119.04935	5.2
119.08547	1.6
121.06504	5.0
121.10164	0.6
123.08093	1.2
123.11808	0.5
125.05998	20.4
129.07825	0.5
129.99529	1.2
131.96216	0.5
132.95842	10.0
133.02759	0.5
133.06487	4.8
133.10129	2.5
134.03616	0.9
135.04440	13.3
135.05476	0.5
135.11700	0.9
137.05978	6.6
137.09621	3.1
140.04639	0.9
141.05481	2.0
149.05981	12.8
150.96910	7.5
151.03918	100.0
151.05019	8.3
151.07507	9.2
151.11180	1.6
155.07132	0.9
155.97426	8.1
161.05988	1.8
161.09666	1.1
173.98506	8.9
179.07053	25.7
179.10599	3.4
179.14331	1.7
182.05666	0.4
197.06219	0.7
197.08099	12.8
197.11752	3.7
197.13380	1.2
197.15332	0.8
197.17227	0.5
198.18616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54900	4.2
53.60695	4.7
55.05302	5.0
55.05519	55.5
57.07090	28.4
59.79532	5.2
69.06722	7.7
69.07072	100.0
71.08626	10.7
71.54900	5.8
71.55322	4.9
76.63538	4.3
81.07051	10.5
83.08624	72.6
89.06034	45.6
92.44130	5.1
95.08616	5.2
97.10184	42.9
111.11760	24.9
116.32970	4.9
116.46493	4.3
125.13301	5.2
133.08618	13.9
135.11626	9.1
148.97357	11.5
153.97963	7.1
163.03926	39.9
163.07635	4.9
171.99010	11.7
177.05515	6.8
180.48102	5.1
194.79697	6.0
195.11501	7.0
195.15724	17.2
195.17354	4.8
210.40370	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	195.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.2
55.01869	4.0
55.05516	32.0
56.96559	3.8
57.03430	7.5
57.07075	15.5
59.05001	3.2
67.05508	30.5
67.44772	2.5
69.03431	3.1
69.07069	44.9
69.94232	11.1
71.04998	12.4
71.08631	2.5
79.05492	35.0
81.03407	5.1
81.07061	87.1
83.04989	7.7
83.08618	21.9
85.06551	18.6
89.03914	10.5
89.06025	11.5
91.05485	19.0
93.06471	4.2
93.07046	68.5
95.04939	6.7
95.08610	100.0
97.06546	11.4
97.10169	18.3
98.21575	4.5
99.08107	15.2
105.07036	14.5
106.54173	2.4
107.04955	25.0
107.08604	75.5
109.06529	6.5
109.10162	39.2
109.98946	4.4
111.08104	8.4
111.11693	7.8
113.09676	3.8
117.03410	22.3
117.07049	3.3
119.08556	3.8
121.02904	4.1
121.06520	6.6
121.10149	88.7
122.09689	2.9
123.04332	2.4
123.08080	3.0
123.11701	23.6
125.06013	6.6
125.09634	6.4
130.96323	4.5
131.08569	8.2
133.10092	3.0
134.03593	5.1
135.04399	11.4
135.08064	8.5
135.11705	48.1
137.13252	16.0
139.07574	3.7
139.11191	9.6
145.02847	46.0
148.97391	3.9
149.06003	12.3
149.09610	19.2
149.13310	12.5
150.12700	3.5
151.06978	2.4
151.14790	3.3
153.05508	5.1
153.97977	2.9
159.11719	3.8
163.03923	25.6
163.07721	2.7
165.05304	2.2
167.07085	2.7
171.98970	3.6
177.05478	58.4
177.09102	6.2
177.12779	10.2
177.16393	96.3
180.15186	2.4
195.00854	2.8
195.06516	3.4
195.08253	1.9
195.10181	10.7
195.11905	3.3
195.13792	12.7
195.17447	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.11361	1.2
53.03947	1.7
55.01863	2.5
55.05515	27.2
57.03430	4.9
57.07079	12.4
59.04982	2.6
65.87390	1.2
67.05513	21.9
69.03421	3.7
69.07069	41.6
70.32932	2.4
70.33318	3.8
71.04991	7.7
71.08614	3.3
75.06858	1.3
78.04691	1.3
79.05058	1.9
79.05495	24.3
81.03388	2.1
81.07059	73.9
83.04982	3.1
83.08627	20.1
85.06532	13.0
85.10179	2.1
87.45783	1.0
89.03922	14.1
89.06047	3.9
91.05470	11.0
93.06571	0.9
93.07048	44.4
95.04981	3.2
95.08611	100.0
95.17822	1.2
97.06545	3.9
97.10168	16.4
98.21420	1.4
99.08093	11.2
103.02811	1.2
103.05479	1.5
105.07021	7.6
106.04188	1.7
107.04940	6.9
107.08598	63.9
109.06522	2.2
109.10155	32.9
111.08099	8.0
111.11707	6.8
113.09634	4.2
117.03386	32.6
119.08570	2.8
121.06512	1.8
121.10148	81.6
122.06022	2.1
123.11706	20.8
125.09669	6.9
131.08560	1.3
133.10152	1.9
134.03612	4.8
135.04414	4.2
135.08072	3.4
135.11699	27.8
137.09624	2.6
137.13260	15.0
139.11174	7.6
145.02849	67.1
149.06007	15.7
149.09618	14.6
149.13277	8.6
150.09195	5.6
151.14830	3.7
153.05460	2.1
153.12712	1.4
153.97896	1.6
159.11714	1.3
163.03922	12.0
171.98889	1.4
177.05479	85.4
177.12912	2.5
177.16391	95.0
178.08652	2.6
195.02806	2.3
195.06577	2.5
195.08478	2.0
195.10213	3.4
195.13820	2.1
195.17448	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
50.46680	2.3
53.03931	7.4
55.01870	3.2
55.05516	30.1
57.03442	19.6
57.07059	3.0
61.49412	2.3
65.03926	4.1
67.05513	32.2
69.03437	5.9
69.07073	55.1
71.04999	24.1
75.02863	2.2
79.05070	4.2
79.05496	63.7
81.07063	62.8
83.04992	5.3
83.08613	10.6
85.06543	4.3
89.06029	3.1
91.05489	42.7
93.07048	100.0
95.04979	12.5
95.08609	31.8
97.06508	4.0
98.67857	2.5
105.04506	5.2
105.07038	27.0
107.04944	11.2
107.08597	74.2
109.06520	18.7
109.10143	3.2
111.08085	2.9
115.05424	4.3
117.03352	5.6
117.07018	23.7
119.08559	20.9
121.06528	16.7
121.10148	17.9
122.07274	5.2
123.08102	15.9
129.07002	4.5
130.07753	6.0
131.08583	39.6
133.06519	13.8
133.10107	9.8
135.08029	11.8
135.11690	11.6
144.09338	6.9
145.02855	10.2
149.05952	2.5
149.13268	21.2
157.10129	2.9
159.11664	27.5
163.03911	37.1
165.07033	12.2
171.99078	3.0
177.05463	12.9
177.09286	3.1
177.12755	19.6
180.09329	9.9
195.11687	23.9
195.13748	8.4
195.15451	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	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02382	1.1
53.03951	5.7
53.38467	1.1
55.01860	4.2
55.05267	1.3
55.05516	19.8
56.96558	1.3
57.03438	8.2
57.07064	2.4
65.03944	2.9
65.91582	1.2
67.05510	68.0
68.96329	2.0
69.03419	2.6
69.07075	17.6
71.01349	2.0
71.05006	7.1
71.54971	1.6
77.03918	1.5
79.05502	43.9
79.12652	1.0
81.03426	28.1
81.07064	100.0
83.04987	17.8
83.08630	14.4
84.08166	1.3
85.02929	3.0
85.06547	4.3
89.03924	5.1
89.06049	11.0
91.05489	34.2
93.07052	69.4
95.04975	8.2
95.08611	35.1
97.06549	15.1
97.10180	2.4
99.08095	2.8
105.03430	1.5
105.07037	13.7
107.04969	3.7
107.08602	31.3
109.06526	5.7
109.10159	5.1
109.98935	1.8
111.08094	8.4
113.05981	2.1
113.09643	2.6
117.03393	7.7
117.07031	13.4
119.08566	3.3
121.06506	10.1
121.10146	11.8
123.08068	3.1
123.11700	1.5
128.14702	1.1
130.96320	3.0
131.08572	15.7
133.02849	2.1
133.08650	2.7
133.10139	17.2
134.03676	1.5
135.04381	2.5
135.08044	5.1
135.11703	28.6
137.09550	1.1
145.02866	16.7
148.97369	1.5
149.05981	3.8
149.09605	3.4
149.13269	27.2
151.11200	2.8
153.09245	1.3
153.97856	2.4
155.55046	1.3
159.11708	18.7
163.03917	26.4
165.07095	2.4
171.98955	2.4
177.05493	25.7
177.09131	1.4
177.12798	14.5
177.16348	2.1
180.09337	2.9
195.02928	5.6
195.06502	1.3
195.08202	2.6
195.11719	9.4
195.13815	26.1
195.15688	3.6
195.17464	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03939	2.4
55.01884	3.3
55.05516	12.4
57.03440	46.8
59.05006	1.5
62.64275	1.1
67.05507	32.0
68.96324	2.1
69.07072	10.6
71.04984	2.9
71.55853	1.1
71.56245	2.1
72.08163	7.4
79.05494	24.1
81.03435	12.9
81.07063	39.4
83.05001	8.2
83.08626	5.8
85.06556	8.7
89.03905	2.9
89.06040	6.6
91.05484	16.1
93.07044	40.7
95.04978	9.5
95.08607	30.0
97.06543	7.3
99.08107	2.8
105.07076	10.4
105.07739	2.1
107.04960	2.4
107.08594	18.0
109.06521	4.3
109.10162	3.1
109.98936	4.1
111.08089	7.1
115.05499	1.2
115.72872	1.4
117.03357	4.6
117.07001	7.1
119.08585	3.8
121.06520	6.0
121.10146	11.1
123.08071	100.0
125.04056	1.3
125.05984	2.1
127.99982	1.6
130.96309	3.8
131.08533	8.9
133.02853	2.8
133.06427	2.4
133.08604	1.6
133.10143	6.4
135.04433	3.1
135.08073	4.6
135.11687	11.2
137.09605	2.7
139.11185	5.8
145.02849	10.9
148.87659	1.4
148.97348	4.5
149.05998	3.3
149.09616	3.8
149.13264	13.1
149.97200	1.4
151.11176	3.0
153.36847	1.3
153.97928	5.0
159.11700	8.4
163.03911	33.4
165.06985	2.3
171.98961	3.3
177.05476	16.0
177.12761	10.2
180.09334	3.4
195.02841	3.4
195.06538	1.9
195.08186	2.4
195.11713	8.5
195.13800	20.6
195.15486	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	195.1017
Annotation	(E)-2-(3-hydroxy-3-methyl-1-butenyl)-1,4-benzenediol
Peak:m/z	Relative Intensity
53.03937	0.8
55.01868	1.1
55.05505	0.5
61.15853	0.4
67.05508	2.3
68.71783	0.5
69.03419	1.1
69.56328	0.4
69.63129	2.8
70.36374	0.4
79.05490	15.9
89.03882	0.7
89.06048	0.5
91.05488	7.3
93.07046	15.8
95.04966	3.9
95.08605	1.9
97.06554	0.5
98.21448	0.8
103.05437	0.7
105.07038	9.1
106.04044	0.5
107.04957	21.0
107.08596	30.7
108.05724	1.4
109.06538	3.6
112.34088	0.4
116.06237	0.8
117.03381	2.0
117.07016	2.0
119.06029	0.6
119.08584	1.6
121.06486	1.6
121.10147	30.0
123.04466	2.2
123.08066	24.0
125.06036	0.5
125.09618	1.4
125.97321	0.5
129.06966	0.8
131.08566	7.6
133.07626	1.2
135.04424	2.2
135.08057	8.6
145.02841	3.9
149.09621	100.0
151.07607	0.6
153.09084	1.0
159.08064	4.0
163.03963	0.8
167.10771	0.8
177.05493	4.9
177.09100	10.9
195.10150	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	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
52.77398	0.3
53.03942	0.6
55.01883	0.6
55.05507	0.7
63.02373	0.6
63.41616	0.4
65.03938	1.5
67.05508	1.0
68.96342	0.4
69.03429	1.2
69.07072	0.9
70.52460	0.8
70.52820	0.9
71.04984	0.4
73.02920	0.5
73.20350	0.4
78.04716	0.6
79.05492	4.1
81.03446	0.9
81.07066	1.3
83.04979	0.8
84.08186	0.4
85.06557	0.5
89.03918	19.7
89.06030	1.2
91.05481	5.7
93.03401	3.3
93.07043	5.6
95.04969	1.3
95.08596	0.9
97.02910	0.6
97.06541	0.5
98.20785	0.4
98.97626	0.6
103.05481	1.4
105.03432	0.5
105.07045	3.3
106.04154	1.3
107.04965	3.4
107.08600	7.3
109.02886	0.4
109.06521	0.8
109.98972	0.9
111.04447	2.3
115.05510	0.6
117.03381	40.7
117.07024	0.8
119.04936	1.5
119.08573	0.6
121.02867	0.6
121.06522	2.2
121.10142	8.9
123.08058	1.3
125.05988	4.8
130.96303	1.7
131.04958	0.5
131.08571	2.1
133.02852	0.5
133.06502	0.7
134.03624	4.7
135.04416	5.3
135.08046	3.4
135.11673	0.8
139.07578	0.5
145.02847	77.6
147.04399	1.4
148.97385	0.9
149.04773	0.8
149.05989	17.9
149.09621	47.5
151.07535	0.5
153.05476	16.4
153.97838	1.0
159.08012	0.5
159.11656	0.6
162.03117	2.0
163.03914	11.2
171.98965	1.0
177.05469	100.0
177.12781	1.3
186.05499	0.9
195.01134	0.6
195.02855	0.6
195.06670	2.8
195.08269	0.6
195.10242	2.8
195.11931	0.7
195.13745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.54735	0.5
53.03954	1.2
55.01871	1.6
55.05515	10.3
57.03438	1.7
57.07083	5.3
59.05003	1.1
63.02385	0.7
65.03953	0.8
66.08017	0.5
67.05511	11.6
68.96318	0.5
69.03439	1.6
69.07072	18.1
71.04996	4.4
71.08636	1.5
71.54906	0.8
74.60516	0.4
78.04717	0.5
78.62577	0.4
79.05500	13.0
81.03419	1.7
81.07062	30.4
83.04988	1.9
83.08624	8.1
84.08140	0.7
85.06547	4.9
85.10175	0.6
89.03924	18.5
89.06039	3.6
91.05486	7.9
93.03416	0.7
93.07050	23.6
95.05001	2.2
95.08614	37.7
97.06528	3.0
97.10184	7.3
99.08102	4.4
103.05482	1.8
105.04486	0.6
105.07030	5.9
106.04194	2.3
106.04800	0.5
106.51864	0.4
107.04963	8.5
107.05634	0.8
107.08603	31.0
109.02865	0.8
109.06532	1.9
109.10165	13.9
111.04503	0.8
111.08099	3.1
111.11722	2.7
113.09651	1.6
117.03386	37.9
117.07026	0.7
119.08598	2.1
121.02866	0.6
121.06505	1.9
121.10149	37.2
123.08086	1.4
123.11721	10.6
125.06032	0.8
125.09624	3.4
125.13219	0.5
127.03917	0.9
130.96323	1.7
131.08607	2.5
133.02878	0.7
133.06500	0.6
133.08597	0.8
133.10106	1.5
134.03651	5.8
135.04430	6.4
135.08051	4.9
135.11697	15.1
137.05989	1.1
137.09639	3.3
137.13275	7.0
139.03912	1.0
139.07552	0.5
139.11194	2.5
145.02856	71.3
148.97380	1.5
149.05992	18.2
149.09633	15.9
149.13269	4.2
151.11237	0.6
151.14781	2.2
153.05438	2.8
153.09181	0.7
153.12709	0.6
153.97864	1.4
159.08055	0.7
159.11682	1.9
162.03140	1.9
163.03923	12.8
163.07535	2.2
165.06956	1.0
165.16434	0.8
167.07042	2.5
167.08417	0.8
171.98941	1.4
177.05481	100.0
177.09007	1.9
177.12877	3.2
177.16400	38.2
180.07814	0.6
186.05464	2.6
195.01291	0.6
195.02861	2.4
195.06464	1.8
195.08224	0.9
195.10150	4.1
195.11752	1.1
195.13831	2.8
195.15747	1.4
195.17447	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	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.73063	0.2
51.02385	0.2
53.03945	0.4
55.01880	0.7
55.05513	1.1
59.05000	0.3
63.02396	0.3
65.03951	1.5
65.99206	0.3
67.05505	1.7
68.77090	0.2
68.96329	0.3
69.03436	1.0
69.07066	0.9
70.03767	1.1
70.06556	0.2
71.04994	0.7
74.52143	0.2
74.68610	0.2
77.03932	0.4
78.04701	0.4
79.05498	4.7
79.18810	0.2
79.86902	0.2
81.03412	0.8
81.07067	2.7
83.04988	1.4
83.08611	0.5
84.08159	0.5
85.02901	0.4
85.06540	0.5
89.03923	14.5
89.06033	1.0
91.05485	5.5
93.03412	2.3
93.07056	9.1
95.04990	1.9
95.08624	1.8
97.02876	0.3
97.06535	1.0
99.04501	0.4
99.05586	0.3
103.05462	1.1
105.07039	4.9
106.04182	1.5
106.07822	0.4
107.04967	3.7
107.08596	7.3
109.06522	1.3
109.10157	0.7
109.48327	0.2
109.98986	0.3
111.04465	1.9
111.05566	0.4
111.08086	0.7
115.05474	0.5
116.06271	0.3
117.03387	34.6
117.07006	1.0
119.04942	0.7
119.08588	1.3
121.06523	2.7
121.10151	9.8
123.08090	1.5
124.05260	0.2
125.05999	4.6
125.09653	0.5
130.96313	1.0
131.08600	2.1
133.02863	0.5
133.07593	0.3
133.10133	0.9
134.03648	4.7
135.04424	4.8
135.08060	3.4
135.11682	3.2
137.09659	1.2
139.05052	0.5
139.07555	0.5
139.11188	0.3
145.02853	71.6
146.03146	0.3
147.04407	0.5
147.19415	0.3
148.97377	0.7
149.06003	17.9
149.09627	59.1
149.13187	1.2
150.09064	0.4
151.07549	0.5
151.11220	0.4
153.04308	0.5
153.05476	6.3
153.09082	0.7
153.12781	0.3
153.97903	0.8
159.08078	0.8
159.11691	1.2
162.03148	1.8
163.03911	8.8
165.09088	0.3
167.07004	0.5
167.10611	0.4
167.12685	0.4
171.98984	0.7
177.05479	100.0
177.12663	1.9
178.05804	0.4
186.05504	1.0
195.02869	0.7
195.06581	2.8
195.08452	0.5
195.10258	3.9
195.12032	1.5
195.13631	2.2
195.15523	0.5
201.28394	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.05513	19.2
57.03429	2.7
57.07080	8.3
62.62263	0.8
63.91612	0.7
67.05510	41.2
69.07075	21.5
69.85902	4.7
71.08624	2.0
71.42930	0.9
72.38676	0.8
72.95689	0.8
79.05517	5.9
81.03416	1.3
81.07061	100.0
82.58803	0.9
83.04984	1.2
83.08623	14.6
85.10175	1.0
91.05490	2.8
93.07036	4.8
95.04926	1.0
95.08614	92.9
96.50464	0.7
97.10181	11.5
98.15831	0.8
98.21587	1.0
105.07029	6.2
107.08592	2.4
109.06519	1.4
109.10165	70.8
111.11742	4.9
115.05474	1.3
118.60403	0.9
119.08559	3.3
119.96584	0.9
121.10120	1.1
123.08058	0.8
123.11716	54.6
133.02831	1.0
133.06517	5.1
133.10107	2.5
135.11717	1.6
137.05931	1.2
137.13261	25.5
145.42606	0.9
147.08052	0.9
147.11703	2.8
149.09627	1.0
151.11166	0.9
151.14796	2.3
159.76656	0.8
161.05989	5.2
175.11197	1.1
175.14793	1.3
193.04944	5.0
193.06540	1.0
193.08583	2.4
193.10196	1.7
193.12209	2.4
193.15964	2.3
193.19543	12.7
205.93068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.05511	10.1
57.03421	1.5
57.07065	1.7
59.04986	2.2
67.05510	9.4
69.07073	28.5
69.30470	12.2
70.58760	1.5
71.05000	12.9
79.05492	5.8
81.07065	17.4
83.04987	2.0
83.08607	2.5
85.06554	11.0
91.05492	5.7
93.07049	28.9
95.04979	30.8
95.08619	19.6
97.06537	3.8
97.10188	11.3
99.08101	6.6
105.07049	11.4
107.08601	29.3
109.06525	100.0
109.10164	21.7
111.08075	6.5
111.11722	3.1
117.71252	1.6
119.07803	2.0
119.08591	25.4
121.10159	7.6
123.08063	5.7
123.11718	23.5
125.09657	1.3
133.10133	22.0
135.11697	36.7
137.09627	15.1
145.10132	1.5
147.11687	4.5
149.13257	9.5
151.11166	5.1
161.06007	1.6
175.14839	47.3
193.04985	4.7
193.10207	2.8
193.15895	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03939	2.0
55.01869	2.9
55.05513	21.2
57.03439	35.8
57.07079	6.6
59.04982	3.5
60.78831	1.3
64.94215	1.3
67.05184	1.7
67.05513	27.7
69.03432	12.1
69.07077	16.6
69.41094	4.4
69.41522	5.5
70.06586	1.6
71.04985	3.9
71.08650	1.6
79.05128	1.4
79.05502	14.3
81.03419	4.6
81.07065	30.4
83.01338	3.6
83.04551	2.1
83.04988	23.2
83.08633	12.5
85.06527	4.9
91.05486	19.0
93.07051	34.9
95.04942	6.4
95.08613	52.4
97.06532	6.0
97.10145	3.7
98.21549	2.6
99.08089	2.2
103.05459	3.1
105.07036	45.2
107.04902	2.2
107.08601	46.1
109.06528	17.8
109.10162	100.0
111.08092	8.6
115.05475	5.2
117.07021	3.2
119.08590	61.9
121.06532	3.4
121.10153	27.8
123.04432	2.1
123.08076	39.2
123.11701	12.3
125.09687	2.4
129.06987	1.6
131.08530	3.2
133.02823	2.5
133.06505	14.4
133.10143	50.8
135.08060	3.5
135.11705	88.2
137.06000	3.2
137.09622	36.2
137.13228	2.2
138.10405	3.3
145.10170	2.8
147.08076	3.2
147.11685	20.0
149.02269	1.9
149.09618	4.5
149.13266	18.1
151.07553	4.9
151.11221	12.2
151.14832	10.0
157.10239	1.8
161.06020	17.1
165.12776	5.7
165.16423	2.7
175.07591	1.5
175.11285	8.0
175.14839	46.2
178.02628	3.0
193.05011	8.7
193.06677	3.1
193.08495	10.6
193.10143	4.0
193.12256	16.9
193.15894	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03933	1.6
53.49262	1.3
54.88713	1.3
55.05510	21.6
57.03437	7.2
57.07065	4.6
59.04993	3.1
67.05505	23.4
68.31347	1.2
69.03434	10.4
69.07068	12.8
69.35812	9.3
71.04978	5.0
79.05497	10.3
81.03417	17.5
81.07057	29.4
83.04985	25.1
83.08623	11.9
85.06534	3.4
91.05474	13.7
93.07039	17.7
95.04980	12.1
95.08606	46.4
97.06544	3.1
97.10170	3.9
98.21459	2.1
99.08097	2.1
103.05470	1.5
105.06317	1.2
105.07037	24.6
107.04955	1.9
107.08595	36.3
109.06524	19.0
109.10157	65.0
111.08064	9.7
111.72547	1.2
115.05448	1.8
117.06995	2.0
117.22696	1.2
119.08585	43.7
121.06516	2.1
121.10155	22.7
123.07197	1.9
123.08073	31.3
123.11718	9.4
125.09605	4.1
126.52058	1.3
129.06963	2.4
131.08585	3.7
133.06483	7.8
133.10141	34.9
135.11691	58.9
137.05936	1.2
137.09621	29.4
137.13245	1.9
138.10378	3.5
147.08046	1.6
147.11700	8.7
149.09602	2.8
149.13275	14.8
151.11176	12.9
151.14819	9.0
161.05986	9.2
164.08424	1.2
165.05478	1.9
165.12738	3.2
165.16385	3.9
175.11235	3.1
175.14828	41.2
193.04921	5.8
193.08691	7.3
193.10371	1.9
193.12244	7.8
193.15881	100.0
194.15923	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03938	5.0
55.05513	27.2
57.02542	2.4
57.07061	6.8
59.04995	3.0
62.68573	2.6
67.05506	23.0
69.03429	15.1
69.07072	16.9
70.86420	5.5
71.04982	3.9
71.08585	3.0
79.05487	9.6
81.07060	35.3
83.04975	26.3
83.08624	13.8
83.39089	2.0
85.06532	4.5
91.05461	8.6
92.08910	2.1
93.07060	19.1
95.04984	3.7
95.08614	53.0
105.07036	19.6
107.08602	38.8
109.06531	19.5
109.10165	96.1
109.10924	5.0
111.08071	9.3
119.08585	48.8
121.10146	31.3
123.08077	54.8
123.11724	13.2
125.09675	2.7
133.10133	37.4
135.08057	2.5
135.11696	79.8
137.09622	34.5
138.10387	11.5
147.11719	5.2
149.13293	16.4
151.11209	14.5
151.14803	11.5
151.37952	2.4
165.12762	2.2
165.16418	4.1
175.14836	39.1
193.15891	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03948	6.6
55.01858	4.9
55.05261	1.9
55.05511	21.8
57.03439	6.6
57.07059	4.0
59.05000	2.6
59.90461	1.2
62.05964	1.3
63.82462	1.2
65.03938	3.7
67.05510	42.0
69.03445	7.3
69.07074	21.2
70.57903	1.4
70.58216	2.1
71.04999	7.6
79.05495	26.8
81.03426	100.0
81.06580	2.9
81.07062	47.6
83.01311	1.2
83.04983	14.9
83.08147	1.7
83.08633	21.3
85.06548	6.5
91.05485	31.8
93.07052	36.8
95.04977	41.9
95.08616	47.8
97.02898	2.3
97.06525	5.6
97.10162	3.8
98.39457	1.1
99.08095	8.3
103.05455	3.8
104.72158	1.0
105.07041	58.4
107.04970	7.5
107.08602	38.8
109.06524	23.4
109.09459	2.3
109.10165	35.0
111.08078	7.7
115.05459	5.0
117.07001	3.4
118.04172	1.9
119.08590	56.4
121.06490	3.8
121.10154	18.4
123.04428	1.3
123.08075	18.9
123.10840	1.5
123.11714	20.8
125.09644	4.8
129.07030	8.5
131.04918	2.0
131.08582	11.8
133.06509	19.8
133.10144	54.8
135.08043	1.7
135.11705	49.3
137.09630	21.2
142.07800	3.5
143.06026	1.7
145.10085	1.9
147.04343	1.6
147.08060	5.8
147.11681	19.1
149.09612	4.8
149.13254	18.7
150.03236	1.2
151.11223	7.5
151.14813	5.8
157.10167	6.7
161.06010	22.2
165.12799	3.2
175.07695	1.6
175.11310	9.5
175.14842	60.1
184.83626	1.2
193.04979	5.3
193.08560	6.0
193.12259	16.2
193.15898	92.1
200.27705	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03935	2.0
55.01862	2.0
55.05521	9.3
57.03426	4.0
57.07071	1.9
59.05003	2.6
65.03941	1.0
67.05508	17.3
69.03415	1.7
69.07076	16.4
71.04977	4.4
71.20908	2.3
79.05498	16.4
81.03407	4.0
81.06587	2.1
81.07062	41.8
83.04986	2.3
83.08631	8.4
85.06530	3.5
91.05484	25.3
93.07047	26.8
95.04959	3.9
95.08617	50.4
97.06527	7.0
97.10205	1.3
99.08092	1.7
103.05473	7.2
105.07038	95.0
106.07349	1.1
107.08602	32.0
109.06517	2.7
109.10162	32.0
111.08072	6.6
115.05453	9.9
117.07011	1.9
118.04147	4.1
119.08589	88.0
121.10146	16.6
123.08070	5.9
123.11718	10.2
131.04942	2.5
131.08553	4.0
133.02843	1.7
133.05473	1.8
133.06506	43.6
133.10138	65.4
135.08038	1.1
135.11699	20.4
137.09657	6.1
143.06056	3.4
145.10126	1.9
146.10825	1.5
147.11700	24.8
149.13266	14.9
151.11212	1.4
160.12413	1.4
161.05995	54.8
163.14894	4.6
163.16016	1.1
165.16406	2.6
175.14836	100.0
178.02539	0.9
193.04988	3.8
193.08615	7.4
193.15894	78.9
204.16936	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03948	2.5
53.84797	1.0
55.01876	5.8
55.05522	8.6
57.03431	5.4
57.07069	3.5
57.39088	1.2
59.05006	44.6
65.03951	1.4
67.05511	8.4
69.03429	9.8
69.07062	5.2
69.56843	7.3
70.06579	3.6
71.01351	1.1
71.05003	2.4
72.35164	1.0
77.03928	1.4
79.05499	19.9
81.03412	3.4
81.06586	2.1
81.07061	40.9
83.04992	14.9
83.08627	9.1
85.02895	1.9
85.06538	3.0
87.04398	1.1
91.04965	1.8
91.05485	21.9
93.07047	10.9
94.04160	1.3
95.01341	2.0
95.04975	15.6
95.08607	7.3
97.02882	1.1
97.06534	2.5
98.21464	2.5
103.05495	5.5
104.06260	1.1
105.03377	1.2
105.07037	65.0
107.04966	3.3
107.07968	1.5
107.08602	16.7
109.06524	100.0
109.10131	6.4
111.04436	1.7
111.08080	3.9
115.05453	7.8
117.07014	4.5
118.04158	3.9
119.04952	3.8
119.08594	30.4
121.06499	9.6
121.10110	6.0
123.04450	3.0
123.08069	8.2
123.11704	4.5
125.09654	2.6
129.06984	3.0
131.04926	2.0
131.08578	3.6
132.05649	1.4
133.02823	5.5
133.06500	32.1
133.10141	31.6
135.08069	20.9
135.11646	1.4
137.06013	11.2
137.09607	7.8
137.13280	1.7
142.07806	6.2
143.06056	2.8
145.06502	3.7
145.10120	3.2
146.07277	2.3
147.04399	2.5
147.08052	6.4
147.11684	27.9
149.06003	1.5
149.09613	8.5
150.08940	1.5
151.03908	2.7
151.07549	2.1
151.11201	11.1
152.07054	1.9
157.10136	9.2
160.08826	8.6
161.05992	31.4
163.38893	1.1
165.05482	3.0
165.09116	2.1
165.12766	4.1
175.03828	1.2
175.07573	1.5
175.11198	40.5
175.14833	2.6
178.02602	5.6
193.05002	20.2
193.06815	2.1
193.08621	23.5
193.12248	72.9
193.15915	3.5
194.08221	1.3
194.11723	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	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03936	6.3
55.01871	3.3
55.05497	7.9
57.03439	100.0
65.03934	2.9
67.05502	19.7
69.03423	5.3
69.07059	3.3
69.36216	15.7
71.20558	1.8
75.04485	4.2
76.19564	1.8
77.03903	3.5
79.05499	16.4
81.03428	16.5
81.07066	13.0
83.04968	4.8
83.08612	3.4
84.95438	1.8
85.06531	8.9
91.05482	61.8
93.07049	60.1
95.04963	19.1
95.08591	6.9
97.06537	3.1
98.21481	3.3
103.05447	2.6
105.04506	2.9
105.06390	3.4
105.07036	45.8
107.04917	2.8
107.08594	7.5
109.06509	12.0
109.10139	13.6
115.05432	3.5
117.07017	12.4
119.08591	94.9
121.06514	60.3
121.10137	2.3
123.04375	2.3
123.08060	4.9
129.06990	3.4
131.08559	5.6
133.06511	19.4
133.10133	30.7
133.59595	2.2
133.78595	2.2
135.08047	5.5
135.11656	2.8
137.09610	20.5
142.07791	8.6
145.06459	4.0
145.10120	2.8
146.07280	8.5
147.08035	35.6
147.11685	43.3
149.09590	2.0
149.13362	2.0
157.10149	10.1
160.08868	6.1
161.06010	11.1
175.11191	45.6
175.14761	4.1
178.07718	4.3
193.04967	8.0
193.08545	5.2
193.10222	6.7
193.12256	22.6
193.13992	3.6
193.15929	2.1
194.25349	2.0
201.04482	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0497
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
50.01605	0.3
50.38065	0.2
51.02393	0.2
52.78509	0.2
53.03941	0.3
55.01880	0.8
55.05514	0.6
57.03194	0.2
57.03433	1.2
59.05007	0.6
59.30732	0.2
61.98866	0.2
66.04739	0.4
67.05510	1.1
68.99796	0.2
69.03439	0.5
69.07056	0.4
70.06586	0.3
70.72094	0.2
71.04994	0.2
71.55098	0.3
77.03924	0.5
79.05499	2.2
81.03412	0.8
81.07059	1.4
82.15260	0.2
83.04970	0.5
89.03931	0.8
91.05489	2.9
93.07070	0.8
94.04198	0.6
95.04987	1.1
95.08605	0.7
97.06528	0.4
99.08112	0.5
103.05458	2.2
105.03405	1.2
105.07034	12.9
107.04975	0.4
107.08582	0.9
109.06524	1.3
109.10171	0.8
115.05462	2.4
117.03407	0.6
118.04147	1.5
119.04960	0.4
119.08595	1.9
121.06505	0.4
121.10155	0.5
122.03644	4.2
123.04424	0.3
123.08064	0.7
123.11733	0.3
129.06989	0.3
131.04907	0.6
131.08577	0.4
133.02858	33.7
133.06493	11.0
133.10132	3.9
134.03618	0.3
135.08046	0.4
135.11703	0.4
137.05978	8.6
137.09610	0.6
143.04984	0.3
143.06056	0.9
147.04408	0.7
147.08064	0.6
147.11703	1.4
149.02390	0.3
149.05984	2.4
150.03128	2.9
151.07500	0.4
151.11168	0.3
157.10252	0.3
161.02357	0.8
161.05986	15.4
162.02917	0.2
165.05470	3.6
165.06860	0.3
165.09093	0.3
165.12814	0.2
168.24568	0.2
175.07561	0.6
175.11214	1.3
175.14732	1.0
178.00990	0.3
178.02617	20.2
193.04967	100.0
193.12129	2.2
193.15834	1.1
194.05287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01867	0.9
55.05513	3.7
57.07071	1.7
60.83022	0.5
65.03931	0.7
67.05502	6.7
69.03440	4.2
69.07076	7.3
69.19896	5.0
71.04998	13.6
79.05499	7.1
81.07064	9.1
83.04970	1.7
83.08617	2.1
85.06548	8.6
91.05481	11.8
93.07051	16.1
95.04971	4.9
95.08612	13.8
96.15305	0.6
97.06539	16.8
97.10164	1.2
98.20659	0.9
103.05462	1.4
105.04440	0.5
105.07043	19.9
107.04935	1.5
107.08600	34.8
108.09356	0.6
109.06538	7.1
109.10165	8.8
110.57977	0.6
111.08082	3.7
115.05468	1.1
116.06221	0.7
117.07042	4.0
119.06084	0.5
119.08586	10.7
121.06504	2.2
121.10149	33.3
123.08102	2.7
129.06982	1.2
130.07764	0.9
131.08580	16.3
133.10136	26.3
135.08066	18.5
135.11711	7.1
137.09622	0.6
143.05412	0.7
143.08591	2.4
144.09309	0.9
145.06491	0.9
145.10138	9.5
147.11700	15.9
149.09639	3.1
149.13264	17.7
152.06015	1.2
158.10919	6.4
160.62425	0.5
161.09622	0.6
161.92723	0.5
163.07544	0.8
163.11143	1.1
163.14850	1.2
173.09674	1.1
173.13274	27.5
176.12064	0.8
191.07050	2.1
191.10799	3.6
191.14316	100.0
191.17863	6.4
192.39764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.36497	1.0
51.91772	1.1
53.03931	1.7
55.01879	1.8
55.05513	17.7
57.03444	1.3
57.07069	4.4
65.03954	2.2
67.05177	1.8
67.05511	30.3
69.03410	2.2
69.07073	19.7
69.21909	11.1
71.04999	25.7
77.60707	1.2
79.05500	16.9
81.07066	37.5
83.04985	2.2
83.08622	11.8
85.06553	10.7
89.81163	1.0
91.05481	20.0
93.07049	35.4
95.04976	11.4
95.08617	56.4
97.06525	8.4
97.10187	12.7
103.05489	1.7
105.07037	30.6
107.08604	71.2
109.06527	46.5
109.10163	100.0
111.08080	3.2
111.11699	3.9
115.05463	2.4
116.06194	1.4
117.07029	6.3
119.08578	10.9
121.06509	4.2
121.10155	71.7
123.08081	25.0
123.11707	5.2
129.07030	2.5
131.04921	1.8
131.08580	36.1
133.10139	29.4
135.08063	62.7
135.11707	46.8
143.08563	3.5
144.09299	1.5
145.10133	11.6
147.08112	2.1
147.11703	14.7
148.05205	1.4
148.08832	1.6
149.09634	10.6
149.13260	20.9
150.10403	3.1
158.10945	5.9
163.07510	1.4
163.14838	4.6
173.13277	44.5
191.06953	1.4
191.10696	4.3
191.14325	93.8
191.17950	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.05513	2.8
57.03424	0.8
57.07072	0.6
65.03934	0.3
67.05503	2.9
69.03432	7.9
69.07074	2.3
70.89352	0.5
71.04987	0.3
78.92194	0.3
79.05493	4.0
81.07061	4.5
83.04989	1.3
83.08607	0.8
85.02874	0.2
87.61034	0.3
88.14298	0.2
89.31860	0.3
91.05476	4.7
91.06013	0.4
93.07045	4.4
95.04959	1.0
95.08603	2.2
97.06490	0.4
103.05498	0.7
105.07032	9.2
107.04971	1.7
107.08599	14.7
107.82405	0.2
109.06530	1.4
109.10156	4.8
112.02213	0.2
115.05511	1.0
116.06191	0.2
117.07011	2.6
118.07772	0.6
119.08594	3.7
121.06497	1.9
121.10147	9.9
122.07275	2.9
123.08073	1.1
129.07030	0.7
130.07782	0.4
131.08574	5.4
133.10133	100.0
134.10472	0.3
135.08067	3.6
135.11688	2.6
137.09619	20.8
143.08505	1.3
144.09370	0.5
145.10118	4.9
147.11661	2.0
149.09651	1.4
149.13263	8.1
158.10919	2.8
161.09607	0.2
163.07536	0.3
163.11226	0.7
163.14809	2.0
173.09589	0.2
173.13266	10.0
191.10750	1.9
191.14316	13.9
191.17989	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03947	0.4
55.05516	2.5
57.03440	0.7
57.07092	0.8
59.05003	0.3
59.96002	0.2
65.03938	0.4
67.05516	2.6
69.03432	6.2
69.07073	3.4
69.62805	1.5
69.63091	0.4
77.79675	0.3
79.05496	4.4
81.07072	3.6
83.04990	1.9
83.08621	0.9
85.06535	0.3
91.05489	4.8
91.06017	0.4
93.07053	4.3
95.04975	0.6
95.08614	2.3
95.48167	0.2
97.06551	0.5
103.05473	0.7
105.07037	10.5
107.04972	1.9
107.08603	14.7
109.06535	1.3
109.10170	5.4
111.08086	0.3
115.05468	0.9
116.06239	0.3
117.07015	1.4
117.62748	0.3
118.07801	0.9
119.06043	0.4
119.08586	3.5
121.06534	1.5
121.10154	11.5
122.07288	2.4
123.08102	1.4
129.07031	0.8
131.04927	0.5
131.08574	6.1
133.10138	100.0
135.08064	3.8
135.11699	2.1
137.09624	14.5
143.08551	1.5
144.09259	0.5
145.10156	3.0
147.11711	2.5
149.09648	3.6
149.13268	10.8
154.70901	0.3
158.10933	2.5
163.11234	0.4
163.14828	1.9
173.13275	9.8
191.06975	0.5
191.10680	1.0
191.14319	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03939	1.7
55.05520	9.6
57.03440	1.9
57.07064	2.7
60.01026	1.3
60.82471	1.4
63.82271	1.4
64.30752	1.3
65.03939	1.8
66.83394	1.6
67.05515	7.5
69.03429	6.4
69.07078	13.6
69.21054	15.1
71.04987	1.7
79.05490	11.2
81.07065	23.1
83.04987	8.5
83.08614	4.3
85.06532	4.9
91.05482	13.8
93.07053	27.0
95.04976	4.0
95.08611	26.1
97.06525	11.3
98.20783	2.8
103.05463	2.6
105.07034	24.6
107.04953	20.1
107.08601	65.9
109.06522	17.3
109.10163	5.3
111.08117	7.8
117.07003	5.4
119.06052	1.6
119.08593	16.2
121.06516	50.0
121.10149	77.0
123.08073	15.9
123.11691	1.4
129.06982	2.4
131.08575	31.5
133.10129	31.2
135.08063	26.7
135.11708	6.0
137.09583	1.7
143.08557	3.3
145.10110	13.8
147.11691	23.0
149.09628	33.6
149.13254	17.5
158.10880	5.7
163.11209	4.6
163.14848	20.7
173.11774	2.1
173.13258	43.8
191.14322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01873	1.6
55.05499	3.5
59.05004	1.0
67.05494	3.0
68.93636	1.0
69.03426	2.0
69.07063	4.3
69.56396	2.0
69.56808	3.1
71.04998	2.6
79.05482	4.2
81.07077	5.7
82.24421	0.9
83.04949	1.6
83.08613	2.7
85.06557	6.4
91.05478	10.7
93.07050	10.7
95.04977	1.8
95.08613	7.0
97.06545	5.6
103.05466	1.4
105.07037	32.8
107.04952	2.0
107.08606	18.6
109.06526	2.1
109.10131	3.4
111.08109	1.9
117.07030	3.4
119.08600	8.4
121.06502	4.0
121.10151	9.5
122.04661	0.9
123.08067	3.2
129.07024	2.2
130.07797	1.4
131.08572	24.9
133.10139	100.0
135.08064	4.1
135.11684	2.0
143.08583	4.6
144.09349	2.0
145.10138	11.7
147.11705	7.7
149.09622	4.0
149.13275	6.8
158.10905	6.2
163.07631	1.6
163.11165	1.6
163.14845	1.8
173.09592	1.0
173.13264	33.0
191.07040	2.8
191.10655	4.9
191.14323	28.9
191.17952	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1075
Annotation	N-Methyl-calystegine B2
Peak:m/z	Relative Intensity
53.03934	0.5
55.01856	0.8
56.05018	1.0
56.96563	2.8
57.03426	1.7
58.02951	0.7
58.06582	0.8
59.96506	0.4
60.08152	0.8
61.02915	1.6
67.05497	0.7
69.03431	2.5
69.79618	1.9
70.06573	1.3
71.04969	0.6
72.08136	1.0
73.02908	1.8
73.08482	0.5
74.06080	4.8
79.05508	0.8
81.03405	0.9
81.07045	0.8
82.06589	4.3
84.04498	0.9
84.07782	0.4
84.08148	4.3
85.02892	2.3
85.06526	1.4
85.08441	0.5
86.06062	0.5
87.04450	1.8
94.06548	0.7
95.04981	0.5
96.08144	2.4
96.08665	0.4
97.02876	1.8
97.08891	0.6
98.09675	1.4
98.21435	0.6
98.97595	3.1
100.07619	23.6
101.00855	0.9
101.01607	0.4
105.03387	0.5
107.04988	0.4
108.08111	1.7
109.02847	0.7
110.01255	0.8
110.97552	0.6
111.02947	0.6
112.07600	0.5
112.99123	0.7
113.06014	0.5
114.05486	0.5
115.02406	0.6
115.03947	0.4
116.98634	0.7
117.01867	0.4
119.01833	1.5
120.03339	0.4
125.01736	0.5
126.09152	7.3
127.00715	0.4
127.02409	0.6
127.03912	0.6
128.02263	0.4
128.07033	0.4
128.98555	0.7
129.02908	0.4
130.04929	0.9
130.08566	0.6
131.00156	0.6
131.01848	0.8
131.04889	0.4
136.07578	0.8
140.02336	0.8
142.08673	0.6
143.01910	0.7
144.10201	21.9
144.13792	0.6
145.03455	1.1
146.02267	0.5
146.08151	0.5
150.01830	0.5
154.08623	3.2
157.03473	0.7
158.99628	0.7
162.05504	9.2
162.06761	0.6
167.01945	0.5
169.04326	0.6
172.09697	7.1
177.00771	0.7
178.04924	1.8
178.55196	0.7
185.02966	1.3
190.05057	4.0
190.10742	100.0
191.11108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85762	0.9
53.04659	0.9
55.05497	2.8
56.37353	0.8
56.77380	0.8
67.05495	2.0
69.03419	1.6
69.07056	1.9
70.27917	1.8
70.28323	1.9
73.10590	0.8
79.05467	2.5
80.17535	0.8
81.07034	1.3
83.04959	1.6
91.05465	5.5
93.07063	1.7
95.08613	1.2
104.91781	0.8
105.07025	11.8
107.08575	3.1
111.21916	0.8
115.05402	1.3
117.07037	2.2
119.04955	1.2
119.08582	20.6
121.06449	0.9
121.10151	2.1
128.06221	2.0
129.06909	1.2
131.08568	4.6
133.06494	2.1
133.10135	24.1
135.08052	3.9
141.06990	3.7
143.08582	6.2
145.06438	2.7
145.10115	5.4
146.07257	1.1
146.10976	1.5
147.08054	10.5
147.11693	12.1
149.09612	2.4
155.08549	1.6
156.09352	29.3
159.08069	14.2
159.11693	8.6
160.08887	4.3
161.09615	6.5
161.13264	13.8
171.11682	31.4
174.10408	44.5
178.92879	1.0
187.11165	1.1
189.12744	100.0
189.16394	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.6
69.03428	2.7
70.69843	2.6
81.07059	1.1
91.05480	3.3
94.07791	1.1
98.20823	1.2
99.57300	1.0
105.07040	7.7
117.07014	3.0
119.08582	13.1
128.06259	2.2
129.06995	2.5
130.07768	3.3
131.08553	4.9
133.06430	1.2
133.10132	4.1
141.07027	5.6
143.08543	4.7
144.09384	1.5
145.10123	17.6
147.08037	5.0
147.11699	11.7
155.08562	2.0
156.09355	44.7
159.08072	3.3
159.11699	13.4
161.13280	1.7
171.11694	61.1
174.10429	6.9
189.12755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35326	1.2
54.30336	1.0
55.05504	1.4
66.51897	1.1
67.05483	1.4
69.03416	4.3
70.68760	1.0
70.69735	3.1
79.05486	2.7
81.07045	2.0
83.44447	1.0
91.05457	5.2
93.07060	1.0
95.08636	1.5
98.98777	0.9
105.07025	9.3
107.08572	2.7
115.05457	1.7
117.07021	3.8
119.08590	14.3
128.06213	4.4
129.07010	3.5
130.07777	2.2
131.08575	6.1
133.06453	1.9
133.10139	7.0
141.06940	5.3
143.08569	5.3
144.09386	1.3
145.10135	19.9
147.08026	5.4
147.11702	14.5
155.08492	1.1
156.09363	39.1
159.08054	3.6
159.11699	9.8
160.08916	1.5
161.05974	1.4
161.09668	1.5
161.13274	2.8
171.11702	56.8
174.10381	5.2
189.09238	2.2
189.12750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.05
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
50.90517	0.2
57.80748	0.2
68.18081	0.2
70.77414	0.7
89.03922	1.0
116.04975	2.3
144.04424	4.3
162.05501	100.0
163.05835	0.7
174.55980	0.3
185.74316	0.2
190.04990	48.4
203.59677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
57.28766	0.4
60.89802	0.3
69.81308	1.1
69.81725	0.8
71.70561	0.4
84.04515	1.0
91.05476	2.6
99.60848	0.4
103.05518	0.6
115.05473	3.8
116.05011	0.4
117.05750	1.4
117.07025	4.0
118.06548	58.7
128.07062	0.4
132.08089	0.5
142.06541	5.1
142.08620	0.4
143.07310	9.9
144.00055	0.4
144.04465	1.1
144.08090	21.2
145.06517	0.4
146.06017	100.0
147.06290	0.7
155.06018	1.1
160.07594	1.2
170.06006	8.2
188.07068	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55353	1.4
55.05500	1.8
69.03417	4.7
69.07056	1.4
71.54961	1.9
89.89352	1.4
91.05494	7.2
95.08632	2.8
105.07045	12.6
107.08622	3.0
117.07011	4.4
119.08592	17.1
128.06223	2.8
129.07027	2.1
130.07748	2.6
131.08575	6.5
133.10152	6.9
141.07053	7.2
143.08551	6.1
144.09251	2.2
145.06439	1.6
145.10143	18.1
147.08037	5.5
147.11685	13.4
156.09357	41.1
159.08069	4.5
159.11694	11.5
161.13258	2.8
171.11700	59.5
174.10431	6.9
189.12733	100.0
189.16299	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02356	0.8
67.05480	1.1
69.03419	3.9
69.07056	1.0
69.62005	5.8
79.05486	1.5
81.07080	1.4
91.05463	4.6
93.07032	2.2
95.04994	1.0
98.21421	1.4
105.07024	10.5
107.04948	1.4
107.08595	2.4
109.06525	1.1
115.05447	1.1
117.07018	2.7
119.08591	20.5
121.10146	1.3
128.06212	2.4
129.06990	1.5
130.07777	4.0
131.08578	6.9
133.06459	2.6
133.10141	6.5
135.08067	1.5
141.07025	5.0
143.08566	4.4
144.09344	1.9
145.10139	13.2
145.27155	1.0
147.08055	7.6
147.11694	15.0
156.08075	1.4
156.09360	31.3
159.08058	6.0
159.11699	8.9
160.08812	2.7
161.09634	3.2
161.13264	8.9
171.11693	46.5
173.01735	0.9
174.10417	12.5
189.12753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03946	4.7
55.05519	4.0
57.03421	2.3
57.07069	2.2
58.90901	0.8
59.04986	2.9
61.02916	1.3
67.05516	4.6
69.03431	15.0
69.06729	1.2
69.07072	18.0
70.06586	2.7
70.94296	1.9
70.94649	0.9
71.04997	22.7
71.06913	0.8
72.08153	1.6
73.06558	1.3
79.05054	1.5
79.05489	17.0
81.03427	11.9
81.07059	100.0
83.04990	6.5
83.08613	2.4
84.04472	0.8
84.08145	9.1
85.02914	7.6
85.06541	1.8
86.09710	5.9
87.08138	0.8
88.02228	4.2
89.06030	1.3
91.05473	4.3
93.07063	3.9
95.04969	4.3
95.08601	4.4
97.02887	3.3
97.06536	6.5
97.10188	2.1
99.04449	5.7
99.08092	5.4
101.06010	1.4
103.05487	1.0
105.07063	3.9
107.08601	11.1
109.02874	4.6
109.06490	4.2
109.09457	1.6
109.10156	20.2
111.08065	3.7
111.11721	7.5
113.06047	1.0
114.96516	0.9
115.05435	6.1
118.53397	1.0
121.10152	2.1
123.08056	2.8
123.11723	18.3
125.09676	1.2
127.03917	6.2
127.07579	1.6
127.11224	0.9
129.07011	1.2
129.10185	2.0
131.04919	9.1
131.08537	2.8
133.10117	3.5
139.11174	8.8
141.06851	0.9
141.09132	1.5
143.04909	2.9
144.05733	1.9
145.10146	2.2
151.03752	1.0
151.11194	12.4
155.03453	1.0
157.12250	4.7
159.04355	1.1
159.08072	2.4
159.11719	3.7
169.04994	1.1
169.10008	0.9
169.12257	9.0
172.05183	2.5
172.08781	1.2
187.03914	29.4
187.05891	2.1
187.07472	9.8
187.11244	4.0
187.13156	2.4
187.14844	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	187.133
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03960	1.8
55.01885	2.0
55.05508	8.3
57.03432	3.1
57.07071	4.0
58.09031	1.1
59.04995	1.3
61.41368	1.0
65.03967	1.2
67.05510	57.4
69.03433	6.4
69.07069	10.3
71.04997	73.4
71.42271	1.7
79.05501	13.8
81.03417	3.5
81.07063	44.8
83.04983	7.8
83.08614	2.9
85.02889	3.5
85.06550	100.0
88.02229	3.7
91.05486	35.2
93.07056	13.1
95.04961	3.8
95.08612	8.2
97.06547	3.6
99.04459	2.1
103.78078	1.0
105.07037	38.5
107.07874	1.8
107.08599	33.5
109.02864	1.2
109.06540	5.5
109.10167	58.3
111.08100	1.5
113.05983	1.9
115.05458	2.4
117.07030	2.0
121.10145	1.4
123.08072	2.9
123.11720	10.7
125.09595	2.2
127.03970	1.4
127.07585	1.4
129.07027	1.7
131.04967	4.1
131.08554	4.8
133.10138	78.8
139.11177	2.2
143.04944	1.7
145.06436	2.0
145.10172	4.9
151.11192	44.0
159.08080	2.0
159.11697	3.5
169.12262	21.2
172.08904	1.8
187.03909	11.0
187.05696	1.2
187.07552	4.9
187.11162	8.0
187.13210	2.6
187.14771	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	187.1329
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03960	4.6
55.05513	6.0
57.03415	1.6
57.07064	2.2
59.04994	2.0
65.03933	0.9
67.05508	6.2
69.03436	14.6
69.06728	1.1
69.07074	15.9
69.85852	3.7
71.04996	26.1
71.06942	1.1
72.84393	1.0
79.05495	16.7
81.03423	11.3
81.07061	100.0
81.65159	0.9
83.04977	6.7
83.08600	2.1
84.08145	4.2
84.33251	0.8
85.02912	7.2
85.06525	2.5
86.09699	3.7
87.08112	1.6
88.02197	3.9
91.05472	5.2
93.07056	4.9
95.04958	3.0
95.08601	3.7
97.02878	3.0
97.06527	7.4
97.10179	1.7
99.04460	5.2
99.08078	6.1
100.62251	0.9
101.05986	1.2
103.05473	1.2
105.07031	4.2
107.08597	11.0
109.02885	5.2
109.06505	5.7
109.10165	17.7
111.08070	3.3
111.11718	5.6
112.62844	0.9
112.97246	0.9
115.05466	5.7
117.05717	0.9
121.10123	3.5
123.08059	1.2
123.11713	20.4
125.09605	1.5
127.03932	7.7
127.07584	2.1
129.10280	1.5
130.10474	0.9
131.01907	1.0
131.04938	8.0
131.08569	2.9
133.10097	3.5
139.11192	7.2
141.06952	1.2
141.09125	2.2
141.12790	0.9
143.01875	2.6
143.04932	4.0
144.05711	1.5
145.10110	3.4
151.11201	13.5
155.03404	3.5
157.12273	4.3
159.08083	2.1
159.11682	2.5
161.02950	1.2
169.12238	8.8
172.05193	2.2
172.08662	1.0
187.03934	28.3
187.05890	2.5
187.07494	8.9
187.11188	2.9
187.13132	2.8
187.14821	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	187.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01877	5.7
55.05515	5.8
56.05017	0.9
56.96544	0.8
57.03423	1.2
57.07067	1.1
57.61113	0.4
59.05000	0.4
60.04483	0.4
61.02923	0.6
65.03940	0.5
67.05510	4.4
69.03438	7.7
69.07084	2.5
69.69141	2.5
70.02954	0.5
70.06588	2.1
70.55550	0.3
71.01334	0.7
71.04998	3.9
72.08161	3.9
75.13422	0.4
75.20197	0.4
79.05495	3.3
81.02997	0.5
81.03429	6.4
81.07066	26.3
82.06563	0.7
83.04979	2.1
83.08160	0.8
83.08631	12.1
84.04492	1.9
84.08154	2.2
85.02916	4.6
85.06554	4.9
86.03210	0.6
86.09703	1.0
88.02219	5.4
89.06005	0.6
91.05503	2.2
93.07061	2.1
95.04977	2.4
95.08609	2.5
96.08111	0.5
97.02886	2.4
97.06535	1.0
98.09704	17.0
98.97611	0.6
99.04499	2.4
99.08080	1.0
101.05999	0.5
103.05453	1.0
105.07016	1.5
107.08591	1.9
108.08128	3.8
109.02892	3.4
109.06536	6.0
109.10175	2.6
111.04440	0.4
111.08094	1.7
113.05993	1.1
114.05503	0.5
115.05438	6.1
117.07008	1.1
123.04433	1.0
123.08060	1.6
123.11691	1.4
124.07593	0.4
125.06022	0.9
125.09607	0.6
126.09169	31.9
127.03925	4.0
127.07552	1.1
131.04939	9.6
131.08572	2.2
133.06569	0.4
133.10126	0.5
141.05473	1.2
141.07031	1.3
141.09097	0.7
142.06581	0.7
142.08641	0.7
142.12320	0.8
143.04944	3.8
144.05666	1.0
144.09309	0.7
145.06482	0.5
145.10114	0.7
151.03979	1.1
151.07550	0.8
151.08688	7.1
151.11183	1.4
155.03473	0.9
159.04419	1.4
159.08083	1.6
159.11691	1.4
164.02206	0.5
169.09743	100.0
170.06091	1.0
170.10107	0.4
170.11671	0.7
172.05185	0.7
173.00854	1.6
187.03932	25.6
187.05977	2.2
187.07397	4.1
187.10847	13.6
187.12622	0.9
187.14748	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48241	0.8
51.85857	0.9
52.96227	0.7
55.01878	9.2
56.96559	1.0
63.73780	0.9
68.05064	1.1
69.05810	0.9
69.07024	1.0
70.02941	1.7
70.06594	87.0
70.83886	2.7
71.01335	2.1
71.05006	4.8
84.04501	1.9
85.02905	10.1
89.02389	1.7
94.06567	2.5
96.08131	27.2
97.08936	1.2
98.06055	3.6
102.12810	1.2
112.07571	2.6
113.04737	1.0
114.05532	12.1
114.09173	8.4
122.06040	21.5
126.05527	8.3
128.86902	1.1
140.07069	100.0
142.08640	30.1
158.08115	1.0
168.06570	50.6
181.02904	1.8
186.07625	43.6
186.11305	3.1
186.13564	1.7
186.18559	1.5
186.22169	18.4
187.03915	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0762
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
53.02446	0.8
55.01873	9.4
57.07085	1.0
58.15623	0.8
61.89764	0.9
68.05019	1.1
68.91340	0.7
70.02946	1.8
70.06598	100.0
71.01345	1.5
71.05003	5.2
80.05071	0.9
84.04514	2.0
84.08109	0.8
85.02914	8.9
89.02399	1.5
94.06523	1.1
94.97749	0.8
96.08137	33.4
97.08930	1.2
98.06078	4.5
112.07597	1.9
114.05560	10.4
114.09181	12.8
122.06036	18.7
126.05548	8.9
127.03916	1.0
140.07076	92.2
142.08643	35.6
151.59584	0.9
152.58965	0.8
158.08221	1.7
168.06569	42.7
179.87950	0.8
186.07635	51.4
186.13637	0.9
186.18498	1.6
186.22183	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	185.1175
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
50.11482	1.3
55.01875	14.2
55.05514	9.0
57.03434	4.9
57.07072	4.5
57.17864	1.2
65.03933	2.1
67.05509	13.2
68.99793	2.5
69.03432	4.1
69.07075	61.5
69.92954	5.8
71.05000	14.3
72.08175	2.4
73.02920	6.3
74.41132	1.3
75.04488	1.7
79.01846	1.6
79.05502	27.0
81.07069	14.1
83.04992	18.4
83.08611	3.7
85.02907	20.1
85.06557	6.5
86.09724	4.4
87.04481	2.0
91.05489	7.2
93.07052	28.7
95.01337	3.2
95.04991	9.2
95.08627	11.5
97.06551	10.9
97.10156	2.1
98.20730	2.5
99.04471	24.0
99.08110	1.9
101.02383	18.0
101.06036	1.9
101.51549	1.3
102.96883	2.4
105.07037	19.3
107.04942	1.6
107.08605	100.0
107.62048	1.4
109.06520	3.4
109.10194	4.7
110.03680	21.0
110.59674	1.5
111.04456	55.3
111.08074	4.1
113.06001	2.9
114.05530	2.2
119.08658	1.6
121.06502	3.3
121.10151	36.5
123.04423	2.1
123.08074	6.3
123.11731	2.2
125.02365	1.6
125.06007	63.0
125.09621	7.5
126.05509	2.1
126.06531	1.7
127.03934	3.7
127.07545	1.9
128.06277	3.5
129.07028	3.2
131.08569	10.2
132.43048	1.4
139.03918	13.8
139.07544	1.9
139.11189	26.4
140.52689	1.4
142.07800	3.8
143.08606	2.3
144.07692	1.5
149.09637	40.1
149.13255	3.2
153.05481	85.0
154.06259	29.9
155.03458	1.6
157.10164	3.4
167.10698	25.6
170.05779	5.5
170.10899	3.0
185.05913	2.8
185.08179	23.9
185.09608	2.0
185.11734	8.4
185.13306	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	185.0809
Annotation	2,4,6-Trimethoxyphenol
Peak:m/z	Relative Intensity
55.05507	0.6
57.03426	0.5
57.07079	0.8
57.38786	0.4
59.04986	0.4
61.86525	0.4
65.03934	0.9
67.05513	2.3
68.83141	0.4
68.99782	1.3
69.03361	0.4
69.07061	1.5
69.35803	3.4
71.04992	0.9
75.04459	0.7
79.01843	1.1
79.05496	1.3
81.03408	0.6
81.07062	2.0
82.04188	1.1
83.04967	0.8
83.08607	0.5
83.39913	0.5
85.02907	0.5
85.06541	0.7
91.05485	0.5
93.03393	1.0
93.07031	2.1
95.01323	4.6
95.04967	1.6
95.08615	1.8
97.06532	1.4
99.04430	0.5
99.08080	0.9
105.07045	0.5
107.01346	0.8
107.08607	2.2
109.02895	0.7
109.06492	0.5
109.10162	1.8
110.03666	22.3
111.04434	4.6
111.08088	0.4
121.10130	1.8
123.04433	2.3
124.05228	0.6
125.05994	64.3
127.03926	4.4
138.03130	0.8
139.03906	15.5
139.11108	0.7
140.04755	0.6
141.05464	0.5
143.08653	0.5
149.09749	0.5
149.13255	1.4
153.05470	100.0
154.06258	36.0
155.03383	3.0
155.07048	1.5
156.04202	0.7
157.08607	0.5
157.10178	0.6
167.10709	0.9
167.14273	0.4
170.05737	4.6
185.08109	35.9
185.10774	1.1
185.13298	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.081
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03936	0.7
55.01862	1.2
55.05517	2.2
57.03434	0.4
57.07072	0.4
59.05008	0.6
65.03946	1.1
67.05504	3.0
68.99776	1.3
69.03431	1.1
69.07077	2.1
69.34908	1.1
69.35328	2.0
70.74454	0.4
71.05012	2.5
72.08139	1.3
75.04478	1.5
78.53902	0.4
79.01855	1.6
79.05499	7.5
81.03411	0.6
81.07060	4.0
82.04195	1.7
83.04972	2.1
83.08600	0.5
85.02909	1.0
85.06541	1.0
86.09720	2.1
91.05474	1.0
93.03393	2.2
93.07043	2.8
95.01332	5.4
95.04969	3.7
95.08620	1.7
97.02878	0.4
97.06533	3.0
97.10174	0.5
99.04443	1.2
100.21432	0.4
101.06035	0.5
102.96880	0.5
105.07028	0.9
107.01328	0.9
107.04950	0.8
107.08603	9.8
109.02882	0.7
109.06523	1.2
109.10152	1.6
110.03667	23.2
111.03698	0.6
111.04448	8.0
111.08065	1.4
113.06016	1.2
121.00700	0.4
121.06553	0.8
121.10154	6.1
123.00814	0.5
123.04443	2.3
123.08045	0.6
123.11720	1.6
124.05169	0.6
125.05999	71.4
125.09631	2.5
127.03918	4.6
129.07007	0.5
131.08600	0.6
134.03638	0.4
135.04491	1.9
135.08107	0.9
138.03133	0.8
139.03912	16.9
139.07574	0.5
139.11191	3.6
140.04680	1.1
141.05424	0.8
142.06209	0.9
143.08511	0.5
149.09605	1.3
153.05476	100.0
153.08902	1.9
154.06264	37.3
155.03410	2.8
155.07021	1.5
156.04210	0.7
157.06555	0.5
157.10139	0.6
167.07074	0.9
167.10660	2.9
168.08102	1.0
169.04959	0.8
170.05768	6.9
171.06508	0.5
178.09258	0.4
185.08119	36.4
185.11674	1.7
185.13287	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18856	8.1
69.30762	8.3
70.56247	25.2
70.56602	9.2
80.89090	9.2
97.30618	8.3
131.63959	7.9
135.83168	8.2
159.18385	8.7
161.02989	9.0
167.62802	9.8
184.03735	100.0
203.39227	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	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	0.1
58.60828	0.1
60.00635	0.2
70.76071	0.2
70.76411	0.2
71.95258	0.3
82.01426	0.2
82.99838	4.5
93.22369	0.1
98.20930	0.1
99.17284	0.1
100.02512	0.2
101.00881	46.6
101.95031	8.6
102.00916	0.6
102.96880	0.1
103.01290	0.1
111.00429	0.3
118.03484	0.1
119.01920	100.0
119.96065	2.3
119.98822	0.2
120.02006	1.1
121.02343	0.4
124.02448	3.7
124.03368	0.2
125.02628	0.1
133.03429	0.1
137.02956	17.4
137.97127	0.9
138.03075	0.2
140.49243	0.1
142.03499	27.2
142.97586	0.1
143.01927	0.8
143.03644	1.1
150.28842	0.1
160.04559	4.7
160.98708	0.5
161.02957	15.5
161.04475	0.6
165.05104	0.4
166.03456	0.1
179.04008	14.8
180.04218	0.2
184.04555	0.5
184.09668	0.1
188.42807	0.1
202.05647	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0607
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
55.01873	0.7
55.05514	0.5
56.96568	4.5
57.03438	0.5
61.02926	0.7
65.03949	1.0
69.03432	1.1
69.49144	3.2
70.92610	0.4
70.98122	0.8
71.95246	0.6
73.02908	1.3
80.80814	0.4
82.06573	1.1
82.99847	3.0
85.02899	1.5
86.09717	0.6
92.05019	1.2
96.08172	0.4
97.02892	1.5
98.97598	3.9
101.00883	26.3
101.95040	5.6
101.97166	0.7
102.01003	0.4
102.96874	1.2
107.04969	1.3
110.01289	0.6
110.06091	1.0
110.97550	1.0
116.98623	1.3
118.01010	0.6
119.01926	49.2
119.96075	1.3
120.04491	1.2
124.02444	2.0
127.03912	0.5
128.02409	0.5
128.98604	0.7
130.02867	0.5
136.04008	0.6
137.02957	8.1
138.05505	5.5
138.09109	0.6
139.01524	0.6
142.03510	13.6
143.00156	1.2
143.01921	1.2
143.03674	0.6
145.01628	0.9
148.03937	76.4
160.04620	2.2
161.01215	1.1
161.02963	9.0
163.02730	0.7
166.05006	100.0
167.05278	0.5
175.94884	0.4
179.02489	0.8
179.04005	6.6
183.75266	0.4
184.06061	17.3
184.09627	1.3
184.13275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1382
Annotation	Decahydro-2-naphthoic acid
Peak:m/z	Relative Intensity
53.03945	1.8
55.01867	2.5
55.05509	5.9
57.07073	2.3
64.78255	1.4
67.05507	12.2
69.03429	3.3
69.07064	10.9
71.04984	3.7
71.55260	2.3
73.02887	1.5
76.25690	1.1
79.05489	7.9
81.07063	54.6
83.04980	5.9
83.08623	5.1
85.06535	4.8
91.05483	10.4
91.53506	1.2
93.07048	14.5
95.04989	1.5
95.08624	13.7
97.06520	3.4
98.98476	11.1
101.95002	2.1
104.04481	1.2
105.03379	5.7
105.07037	42.9
107.08599	28.0
109.06548	6.9
109.10126	1.9
119.01929	1.7
119.08594	27.3
121.10149	51.8
123.04422	1.4
123.08058	3.8
123.11719	64.1
127.01593	3.1
127.07522	2.5
137.13231	1.8
142.03435	2.1
145.10089	1.5
147.11696	100.0
148.11974	1.5
155.07008	1.3
160.04564	3.4
165.12761	63.8
168.09366	2.0
183.09491	4.5
183.11826	8.9
183.13731	11.0
187.95100	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.154
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
55.01865	1.0
55.05262	0.5
55.05509	4.8
56.05023	0.4
56.96574	0.6
57.03428	0.7
57.07084	2.2
57.07301	0.4
58.02963	21.7
67.05507	14.9
67.26089	0.4
69.07071	43.6
69.53317	0.4
70.06585	1.5
71.08604	0.4
72.08161	0.4
74.06077	0.9
74.73498	0.4
79.05492	3.3
81.07062	12.4
83.04971	1.3
83.08622	4.8
84.08152	5.9
86.06075	0.5
91.05460	2.7
92.29243	0.5
93.07047	6.1
95.04955	0.6
95.08617	3.6
95.64460	0.4
97.06543	2.6
98.06052	1.7
98.09694	1.5
98.20734	1.1
98.97592	2.4
99.97919	1.5
100.07623	5.1
105.07039	8.6
107.08602	11.9
109.06484	1.0
109.10161	36.8
112.07623	2.1
114.09168	12.5
116.98611	1.4
117.98961	0.5
119.08590	0.5
121.10129	1.4
122.15803	0.5
123.11713	4.7
124.11234	0.5
125.13286	0.5
126.09161	11.7
126.12794	1.0
130.55237	0.4
133.10138	25.9
134.59711	0.4
135.11696	12.6
135.12712	0.8
136.07623	0.8
137.13283	0.7
138.12775	13.4
140.10733	0.9
140.14334	0.7
147.11719	3.4
151.11203	10.8
153.12766	9.7
154.08551	0.7
154.15919	0.8
164.07112	0.7
164.14366	1.6
165.12782	1.3
182.15413	100.0
183.11725	0.9
183.15695	0.7
200.18732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	3-azaniumyl-3-(4-hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
51.84622	0.3
55.01877	0.3
55.08437	0.2
56.96571	0.4
58.02969	0.6
58.06603	0.4
59.22554	0.2
60.04526	0.5
65.03606	0.4
65.03944	6.8
65.11838	0.3
66.04301	0.3
67.05507	80.2
68.05008	0.5
68.05843	0.4
69.03419	1.0
69.07072	6.9
71.04988	0.3
71.54954	0.4
79.05490	0.8
80.05034	0.3
80.05836	0.5
81.07056	1.1
83.04981	0.5
85.02897	0.5
86.00661	0.3
86.02429	2.3
86.06061	1.2
87.04475	0.4
90.04263	0.5
91.05471	0.9
93.05785	0.6
93.07064	0.7
94.06573	0.5
95.04972	100.0
96.05283	0.7
96.08141	0.5
97.06521	0.6
98.06034	0.3
98.97587	1.5
99.97936	0.8
101.00790	0.3
101.19373	0.3
103.05397	0.3
108.08134	1.4
110.06042	0.8
111.04484	0.3
112.07635	0.7
113.06004	2.0
116.98607	1.1
117.98960	0.5
118.03719	0.6
119.04939	0.3
121.06497	0.4
122.06046	1.5
122.06794	0.3
122.10493	0.3
123.04434	0.7
123.06816	0.5
123.08051	0.9
124.07629	0.5
126.09132	0.6
134.11743	0.3
134.99684	0.3
135.04431	0.4
136.04755	1.2
136.07574	8.8
137.05962	0.4
137.09601	0.4
138.06343	0.4
138.09135	0.7
140.07050	0.8
143.01814	0.4
146.03159	1.1
154.08626	13.4
161.02972	0.3
164.01573	0.3
164.04253	4.5
164.07043	3.1
164.10692	0.3
171.05649	0.4
175.82936	0.3
182.00923	0.6
182.05338	1.3
182.08128	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	33.9
57.07092	16.0
59.54982	2.7
67.05470	2.9
69.07073	100.0
71.08614	4.8
83.04987	8.1
83.08627	33.3
85.10186	3.6
97.06548	3.2
97.10172	26.1
99.09207	4.2
111.11715	14.5
121.10114	4.7
121.56204	2.9
123.08079	2.7
125.05998	12.7
125.13302	3.2
137.93877	3.2
163.11182	19.1
166.70644	2.6
181.06180	4.2
181.12267	5.4
182.00920	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	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03939	2.1
55.01877	0.5
55.05516	4.3
56.96554	0.9
58.02953	1.5
65.03954	2.9
66.04738	0.6
67.05505	12.5
68.05014	0.7
68.06279	0.7
69.03442	1.4
69.07069	3.9
69.91416	2.3
70.02970	0.9
70.06592	1.8
71.04991	0.6
79.05495	19.7
80.05010	2.0
80.05809	1.5
81.06586	1.4
81.07063	27.6
82.06590	0.6
82.07391	1.2
83.04984	1.0
83.07373	0.8
83.08613	1.8
84.08139	1.7
86.02428	3.4
86.06066	0.9
91.05478	4.1
92.05012	0.9
92.05824	0.8
93.05772	3.2
93.07033	3.4
94.06565	1.0
94.07370	2.9
95.04963	4.6
95.08621	1.7
96.04495	1.4
96.08099	0.6
97.02912	0.6
97.05264	0.6
97.06539	7.2
98.06054	2.5
98.09702	2.6
98.20777	0.8
98.97604	2.9
99.97906	0.9
106.06567	1.3
107.04999	0.6
107.07324	2.8
107.08588	1.5
108.04479	1.3
108.08128	43.8
108.08878	2.5
109.06519	5.3
109.10212	0.6
110.06048	4.5
111.04478	1.2
112.04021	0.6
116.98639	1.7
117.98910	1.2
118.03729	1.5
118.06522	2.5
119.04939	0.7
119.08582	1.3
120.04444	1.2
121.05238	2.8
121.10139	0.6
122.06020	2.2
122.10474	2.8
123.04411	1.7
123.06812	1.0
124.05222	0.7
124.07581	1.9
125.06001	22.9
126.05522	23.5
126.09161	15.1
134.06023	1.5
134.99689	0.7
136.04782	1.9
136.07581	79.5
136.12035	5.1
137.05913	0.9
138.05478	2.8
140.07072	1.7
141.05498	0.9
146.03185	0.8
150.06413	0.7
152.06978	0.9
153.05478	1.5
153.07858	2.5
154.08630	25.5
155.07056	0.7
164.04279	6.0
164.07072	75.8
164.15166	2.3
165.05504	0.7
182.04822	2.6
182.08134	100.0
182.11642	2.3
182.18930	0.6
192.38724	0.6
201.86452	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1587
Annotation	(Z,Z,Z)-3,6,9-Dodecatrien-1-ol
Peak:m/z	Relative Intensity
52.11691	0.7
53.03935	1.0
55.01852	2.1
55.05512	9.2
56.96569	5.8
57.03420	1.1
57.07064	3.8
58.21288	0.8
59.31982	0.7
67.05505	8.0
69.03442	2.0
69.06726	1.3
69.07072	15.9
70.88712	2.0
71.04997	1.3
71.95274	2.0
79.05497	9.4
80.05830	1.6
81.03410	1.2
81.06584	1.5
81.07060	29.8
83.04983	5.1
83.08629	5.6
85.06548	25.8
91.05484	4.5
93.03386	0.9
93.07059	16.0
95.04951	5.3
95.08614	24.4
97.06519	3.8
97.10173	4.0
98.97590	100.0
105.07034	3.3
107.08602	27.2
109.06523	1.1
109.10149	3.4
111.08069	2.4
113.09641	9.5
116.98628	50.7
119.08566	2.2
121.06506	3.0
121.10152	17.1
123.08077	1.0
123.11697	1.6
125.06000	7.2
125.09628	1.9
134.99669	17.6
135.04428	1.9
135.08051	3.1
135.11699	9.9
137.06003	1.1
137.13257	4.2
140.00203	5.6
145.10132	3.4
149.05913	1.6
153.00726	1.7
153.07033	1.4
158.01257	4.6
163.03928	3.3
163.09781	1.5
163.11211	13.4
163.14835	15.0
181.04947	2.6
181.06836	5.4
181.08597	2.5
181.10008	1.2
181.10622	0.9
181.12285	7.4
181.15881	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03930	2.6
53.69463	0.9
55.01867	2.6
55.05515	4.9
56.96569	1.6
57.03442	6.2
57.07080	32.1
59.04992	3.6
61.42167	1.0
65.03932	1.2
67.05498	3.8
69.03419	2.8
69.07076	5.1
70.82640	2.3
71.04984	2.4
72.81123	0.9
73.02911	3.4
79.05499	16.4
81.03424	6.1
81.07060	9.2
83.04987	58.1
83.08589	1.9
85.06540	1.4
91.05470	6.4
93.07058	18.1
95.04976	15.6
95.08599	7.5
97.06537	30.8
98.97590	23.4
99.04478	1.1
105.07047	5.6
107.04967	3.5
107.08591	16.5
109.06517	4.5
109.10165	1.8
116.98627	9.0
117.03455	1.4
117.06996	1.4
119.08577	6.3
121.06557	6.7
121.10154	29.2
123.08093	2.5
123.11680	1.1
125.06002	91.8
130.07788	1.0
134.99644	3.3
135.04439	17.6
135.08044	6.4
135.11713	11.1
137.13219	1.2
145.10135	11.6
163.03909	6.5
163.07567	3.7
163.11191	100.0
164.11467	1.0
181.04982	5.1
181.08760	5.3
181.12244	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03939	2.9
53.97638	0.7
55.01876	4.0
55.05514	5.7
56.96564	2.8
57.03440	18.4
57.07074	2.2
59.05005	0.9
65.03940	6.9
67.05504	11.5
69.03429	13.6
69.07069	10.7
71.05003	5.8
71.55081	1.0
71.95261	0.9
77.03934	1.1
79.05493	20.3
81.03403	2.4
81.07063	19.8
82.04194	2.3
82.13566	0.7
83.04981	6.0
83.08623	3.2
85.02903	3.4
85.06542	2.6
89.03918	1.4
91.05488	19.8
93.03397	2.3
93.07047	50.3
95.04971	7.5
95.08616	7.0
97.02940	0.9
97.06538	10.4
97.10180	0.7
98.97588	44.3
99.04497	1.2
103.05463	5.6
105.04544	1.3
105.07034	12.4
107.04925	3.9
107.08593	30.2
108.02118	1.4
109.06525	19.5
109.10181	3.9
110.03691	3.7
111.04446	4.0
111.08080	4.3
116.98625	23.4
116.99454	1.4
117.03391	2.2
117.07029	2.6
119.04964	1.3
119.08581	11.3
120.05721	1.6
121.03004	0.8
121.06522	14.5
121.10146	100.0
123.04479	0.9
123.08041	4.2
123.11723	0.9
125.05993	7.8
125.09625	3.3
130.07838	1.2
131.06078	1.0
133.03012	0.8
134.99678	7.5
135.04440	4.4
135.08069	16.6
135.10692	1.5
135.11699	23.9
136.07570	2.8
137.05962	2.4
137.09595	7.0
138.03131	1.4
138.06744	1.2
139.03938	0.9
139.07521	3.0
139.11166	2.3
140.00163	1.8
142.02621	1.5
143.08607	0.9
145.02818	2.3
145.09044	1.3
145.10133	17.4
148.05145	1.3
149.05960	5.9
151.03889	1.7
153.05482	1.0
153.09056	1.8
153.12723	3.2
158.01201	1.7
158.99683	0.9
163.03915	13.9
163.07535	2.8
163.09644	2.0
163.11180	39.7
163.14812	2.8
164.07013	1.3
166.06271	3.0
171.06555	1.6
181.04964	24.9
181.06479	1.4
181.08591	20.5
181.10297	1.5
181.12212	21.0
181.15834	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03943	0.9
53.92966	0.3
55.01872	0.6
55.05482	0.4
56.96555	0.4
57.07071	0.4
60.02483	0.3
62.01590	0.4
63.02381	0.4
65.03935	0.7
67.05504	0.7
69.03412	0.4
69.07059	0.4
69.24534	2.4
71.72183	0.3
77.03893	0.3
79.05497	2.9
81.07048	0.9
81.47372	0.3
83.04974	0.6
85.02893	0.7
89.03924	12.1
91.05494	1.6
93.03410	0.9
93.07056	2.1
95.04967	0.7
95.08617	0.7
97.06526	0.7
98.20651	0.4
98.97593	7.8
105.07030	0.9
107.04282	0.5
107.04958	5.2
107.08598	2.0
109.10156	0.3
111.04426	1.0
116.98631	3.2
117.03385	17.4
119.04937	0.6
119.08585	0.4
121.02834	0.3
121.06526	0.4
121.10142	4.8
123.07991	0.4
125.06054	0.7
134.99684	0.7
135.04427	29.7
135.08029	1.8
135.11670	1.1
137.09656	0.5
139.03929	0.9
139.07544	0.9
145.02864	21.3
145.03899	0.9
145.10150	0.5
163.03917	100.0
163.11189	1.3
163.14801	0.3
164.04210	0.8
171.06473	0.4
181.04968	3.5
181.08542	1.7
181.12279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03939	3.4
53.18532	0.9
55.01873	2.3
55.05270	1.6
55.05518	18.9
57.03440	5.8
57.07066	4.3
59.04992	1.8
61.25858	1.0
65.03934	2.5
67.05509	88.6
69.03425	5.8
69.07075	13.3
69.17513	11.2
71.05000	5.8
79.05497	18.8
81.03411	3.3
81.07063	62.4
83.04961	3.0
83.08611	2.8
85.06541	1.6
85.10193	1.6
91.05489	10.7
93.07053	24.3
95.04974	16.0
95.08614	100.0
97.06525	1.6
105.07037	11.9
107.08601	10.1
109.06536	9.1
109.10162	52.2
112.07574	1.1
117.07039	1.4
119.04958	1.8
119.08588	16.5
121.10151	4.0
123.08070	12.4
123.11739	1.4
133.10132	5.5
135.11716	5.4
137.09622	17.3
137.13243	2.2
151.14835	12.8
161.13277	6.6
162.09196	1.4
179.03426	2.3
179.06421	4.1
179.10783	1.3
179.14328	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	179.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
55.05513	18.7
56.96574	2.2
57.03402	1.3
57.07083	6.1
62.55225	1.3
65.03934	1.4
65.26424	1.1
66.03043	1.1
67.05506	55.5
69.07070	16.5
70.66250	1.3
70.66602	3.8
71.08617	1.2
79.05480	8.7
81.07058	100.0
83.08629	12.6
91.05470	3.5
93.07048	3.0
94.07237	1.3
95.04967	3.0
95.08609	100.0
97.10184	9.5
98.21523	1.2
101.82993	1.2
105.07021	4.4
105.55692	1.3
107.08557	2.2
109.06504	1.3
109.10159	98.7
115.01122	1.4
118.98046	1.2
119.04955	2.9
119.08572	1.7
123.11710	72.5
133.06465	1.9
133.10106	4.2
135.08109	1.4
135.11682	1.8
137.13235	4.1
147.04388	4.7
161.05986	1.8
161.09595	1.2
179.03381	3.3
179.06676	2.4
179.10535	2.9
179.14186	1.7
179.17989	11.3
180.09863	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	(4aS-trans)-4,4a,5,6,7,8-hexahydro-4a,8-dimethyl-2(3H)-Naphthalenone
Peak:m/z	Relative Intensity
50.71804	1.2
51.41660	1.1
53.03937	2.2
55.01861	4.0
55.05513	14.9
56.46824	1.1
56.69147	1.1
57.03414	5.5
57.07079	8.4
59.04990	4.0
65.03930	2.7
67.05507	32.7
69.03413	5.6
69.06734	1.6
69.07071	21.0
71.04992	8.7
71.08633	6.0
71.19533	3.1
74.07224	1.1
76.85105	1.5
77.03893	1.2
79.05489	11.7
81.07057	35.5
83.04982	29.3
83.08609	5.7
85.06555	6.6
85.71839	1.2
87.28271	1.3
88.72964	1.3
91.04965	1.7
91.05480	19.3
93.07045	30.0
95.04979	14.4
95.08611	100.0
97.10165	3.4
103.05467	1.2
105.03404	1.5
105.07037	32.3
107.04972	2.0
107.08597	39.5
108.05763	1.3
109.06528	27.6
109.10158	84.9
111.08080	2.9
115.05449	1.3
117.07012	2.5
119.04948	8.7
119.08584	41.4
121.06482	4.6
121.10143	27.9
123.04433	4.0
123.07185	2.5
123.08068	42.1
123.11686	14.9
128.06247	1.5
131.08549	3.9
133.02890	6.0
133.06511	6.7
133.10133	48.2
135.11696	31.5
137.05986	2.2
137.09630	30.4
137.13260	6.2
143.08493	1.5
147.04410	13.6
151.03949	1.8
151.07565	2.6
151.11195	32.1
151.14818	46.7
151.16049	2.3
161.05998	5.6
161.09624	12.5
161.13255	24.4
169.12251	3.0
179.03419	12.8
179.07149	7.3
179.10695	34.6
179.14308	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.83847	1.5
55.01878	3.4
55.05508	5.3
56.96576	1.5
57.03426	5.8
67.05514	19.4
69.03418	2.1
69.07053	4.7
71.05000	3.5
79.05492	17.3
79.48689	1.5
81.06585	2.8
81.07062	57.9
83.04995	8.5
83.08628	3.5
85.06554	2.8
91.05485	16.6
93.06479	2.5
93.07051	40.1
95.04974	4.5
95.08614	46.3
97.06539	13.6
97.10190	1.7
98.21455	3.7
105.07038	61.6
107.08607	32.6
109.06520	7.6
109.10152	12.7
111.08118	4.3
114.50529	1.6
115.05396	1.9
117.07050	2.0
119.04947	2.7
119.08591	54.8
121.10153	30.4
121.10831	0.9
123.04424	1.8
123.08089	13.9
123.11687	6.1
133.10141	36.9
135.11697	45.1
136.02194	2.0
137.09593	5.2
137.13292	3.9
147.04422	6.1
151.11143	4.6
161.05974	2.5
161.13268	100.0
162.09073	1.9
164.04031	2.7
165.53876	1.6
179.03389	3.6
179.06381	19.8
179.08018	2.1
179.08389	1.7
179.10748	3.9
179.14326	89.0
193.93855	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03937	3.6
55.05304	2.1
55.05513	26.3
57.03439	12.2
57.07073	5.5
59.05012	2.7
60.87251	2.1
67.05507	55.0
69.03418	5.5
69.06727	2.6
69.07073	34.4
69.76883	12.5
70.64364	2.1
71.04985	8.4
79.05497	28.1
81.03417	4.1
81.06580	3.9
81.07059	63.3
83.04983	9.7
83.08598	6.1
84.54919	2.8
85.06512	3.1
91.05494	13.4
92.27961	2.1
93.07047	28.8
95.04972	15.4
95.08613	100.0
98.21567	4.2
105.07036	21.3
107.08599	29.8
107.28674	2.2
108.36647	2.0
109.06523	17.9
109.10154	41.6
111.08089	7.6
115.74369	2.0
116.54974	2.1
117.33544	2.3
119.08581	27.2
121.10139	12.4
123.08071	33.5
123.11662	6.0
133.10127	11.0
135.11699	8.6
137.09604	16.4
137.13176	2.2
147.04359	2.7
151.14806	11.4
161.13268	20.5
179.03386	2.4
179.06380	5.1
179.12753	3.2
179.14305	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.60564	2.5
55.01870	5.5
55.05516	18.3
56.96582	2.3
57.03439	10.2
57.07074	4.1
59.05002	2.3
61.19242	2.1
61.53268	1.8
65.03951	2.4
67.05509	72.3
69.03427	5.5
69.07078	17.4
71.04990	9.0
71.55267	2.9
79.05502	28.8
81.03409	3.0
81.07061	57.4
83.04984	6.2
83.08614	3.1
83.30021	1.9
85.06557	3.0
91.05481	11.4
93.07038	24.7
93.07565	2.9
95.04976	14.3
95.08611	100.0
105.07030	22.6
107.08591	27.3
109.06520	11.7
109.09466	3.9
109.10159	47.4
111.08071	3.9
117.07072	2.2
118.98206	2.0
119.04909	3.9
119.08578	18.9
121.06513	2.7
121.10159	6.0
122.05949	2.1
123.04403	2.5
123.08085	16.3
123.11694	4.0
133.10162	12.6
135.11687	8.6
137.09616	19.4
137.13268	2.5
147.04419	6.5
149.13292	2.8
151.11201	4.3
151.14839	9.9
161.05991	4.5
161.09613	2.7
161.13261	13.5
176.52031	2.1
179.03419	9.1
179.06375	15.7
179.08502	14.4
179.10635	4.8
179.12744	3.1
179.14316	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	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03943	1.1
55.01873	1.5
55.05510	7.7
57.03432	2.2
57.07064	1.2
67.05511	7.0
69.03424	4.5
69.07080	6.8
69.21034	7.0
69.21441	1.3
71.04991	3.1
79.05495	5.2
81.07063	17.3
82.28287	0.8
83.04988	13.8
83.08592	1.2
85.06531	1.9
91.05499	5.0
93.07040	8.3
95.04970	2.5
95.08611	40.3
97.06515	3.3
98.52684	1.0
105.07040	19.6
107.08598	19.6
109.06516	10.8
109.10183	5.7
111.08083	1.7
114.38019	0.8
117.07005	0.9
119.04932	1.5
119.08585	47.8
121.09327	1.4
121.10146	15.8
123.08069	15.6
123.11623	1.1
133.06464	1.4
133.10123	11.2
135.11694	7.7
137.09645	3.2
137.13246	3.0
137.21623	0.8
147.04422	2.7
151.14766	1.2
161.05997	2.9
161.13264	48.0
179.03381	2.8
179.06567	2.8
179.08559	2.8
179.10880	2.0
179.14316	100.0
180.14636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
50.22658	0.8
53.03942	1.5
55.01875	5.4
55.05513	5.1
57.03421	1.3
57.07077	2.0
58.99594	1.9
59.04997	1.8
65.03937	1.7
67.05511	17.1
69.03432	3.7
69.07076	1.5
70.80611	2.6
71.01363	2.8
71.04996	1.5
76.02236	4.8
79.05495	7.5
81.03436	1.2
81.07060	24.5
83.04994	2.4
91.05484	28.2
93.07046	13.1
93.50539	0.8
95.04985	6.0
95.08601	11.7
97.02927	1.0
103.05494	1.2
105.07034	35.4
107.04940	2.6
107.07867	1.6
107.08597	36.2
109.06531	6.1
109.10158	100.0
111.08106	0.9
115.05473	1.3
116.01682	1.6
117.06997	2.0
118.07772	1.1
119.04955	15.3
119.05837	1.3
119.08582	23.5
121.06534	4.8
121.10108	6.5
123.04420	2.4
123.08060	5.8
123.11713	27.6
131.08562	2.5
133.02840	1.5
133.06512	9.5
133.10132	93.0
135.08066	1.2
135.11685	4.7
136.05215	2.3
137.05992	3.8
137.09612	10.4
143.08571	1.3
146.03693	1.6
146.07278	1.4
147.04422	23.0
151.07570	3.8
151.11189	19.7
161.06007	6.5
161.09625	11.9
161.13223	4.6
162.09138	1.1
179.03389	6.6
179.07106	12.6
179.10655	14.3
179.12155	1.1
179.14214	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	178.1227
Annotation	N-Pivaloylaniline
Peak:m/z	Relative Intensity
52.45943	0.3
66.24014	0.3
69.43052	0.3
70.04608	1.3
71.61679	0.3
72.68991	0.3
80.99032	0.3
81.16039	0.3
107.08602	0.6
108.08953	0.4
117.07027	0.9
118.06540	4.5
119.07325	6.0
132.08069	0.3
134.09657	43.1
141.19032	0.3
147.10381	0.5
153.55983	0.3
160.11174	0.3
162.09166	1.1
163.09932	0.9
178.12276	100.0
179.12619	1.1
184.66592	0.3
199.63701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1068
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
51.20646	0.6
53.03938	1.4
55.01878	3.0
55.05511	4.7
56.96581	1.2
57.03438	1.0
57.07071	1.3
62.49962	0.5
65.03918	1.0
67.05508	8.2
69.03429	1.3
69.07067	2.4
69.30412	5.5
71.04993	1.0
73.02915	0.8
75.89441	0.6
79.05498	7.9
81.03436	0.7
81.07061	14.8
83.08610	0.7
91.05491	17.3
93.07042	9.7
95.04964	3.6
95.08610	21.8
97.06517	0.6
97.10149	0.6
98.98487	1.1
99.24318	0.6
103.05473	1.7
105.07034	100.0
107.08598	8.9
109.06508	3.3
109.10158	7.9
112.07640	0.7
115.05470	1.0
117.06997	2.0
118.07796	1.6
119.04958	7.4
119.08580	9.8
121.06483	1.4
121.10141	1.6
123.04424	1.7
123.08077	17.0
123.11709	10.1
131.08592	5.7
133.06522	3.5
133.10136	88.5
135.08049	0.7
135.11700	2.6
136.05174	0.9
137.05988	1.2
137.09634	1.1
143.08507	0.7
147.04420	9.8
151.03885	0.8
151.07506	1.9
151.11188	4.9
161.05971	3.9
161.09639	8.5
161.13251	2.6
162.09073	0.7
171.51398	0.6
179.03416	4.5
179.06912	4.9
179.08565	1.2
179.10637	12.0
179.14311	5.8
179.17932	1.1
180.10080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03936	1.5
55.05519	14.8
57.07068	3.4
67.05519	8.5
68.85919	1.0
69.06737	1.3
69.07079	23.4
70.19682	3.3
78.18377	1.0
79.05502	19.7
80.59704	0.9
81.07068	26.3
83.08632	14.3
89.03915	4.1
91.05493	8.3
93.07050	48.8
95.04976	1.3
95.08616	56.5
97.10175	5.1
103.62457	0.9
105.07032	8.7
106.04143	1.1
106.46679	1.1
107.08601	72.5
109.10165	18.6
109.78192	1.0
117.03423	5.8
119.08627	2.4
121.06468	2.3
121.10153	100.0
131.08597	1.6
133.10147	1.2
135.08017	1.4
135.11700	23.9
145.02856	9.4
149.05988	2.8
149.13284	6.8
177.05461	4.1
177.09102	1.6
177.16400	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	178.0864
Annotation	5-Hydroxytryptophol
Peak:m/z	Relative Intensity
50.16010	0.3
56.42664	0.3
61.38234	0.3
69.03513	0.3
69.58925	1.9
79.05564	0.4
88.02273	0.8
89.03996	0.4
90.04279	0.5
90.92044	0.3
91.05531	0.8
93.07083	0.5
94.07449	0.5
98.20749	0.6
104.05034	0.4
104.05798	0.3
105.07101	0.8
108.08947	0.4
110.06123	0.3
115.05475	4.8
115.06135	0.4
116.05009	0.5
117.03463	0.6
117.05783	2.6
118.03715	0.9
118.06561	7.0
118.07332	0.6
119.04974	0.7
119.08612	0.4
120.08147	1.1
121.06623	0.3
121.10171	0.3
122.06112	1.1
122.10518	0.9
130.06540	0.4
132.04469	19.7
132.08099	34.8
133.06526	0.5
134.09694	0.9
135.04401	0.3
140.04955	0.5
142.06526	10.6
146.03270	2.7
147.04433	0.6
150.06355	0.9
150.08969	1.8
150.10077	1.1
157.04480	0.3
160.07591	100.0
161.07913	0.5
163.03851	0.8
178.04694	0.4
178.06061	1.9
178.08623	15.1
178.12111	2.3
178.16792	0.7
179.03429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03939	2.9
54.34871	1.1
55.05507	13.1
57.07071	3.8
60.07349	1.1
62.99114	1.1
65.03918	1.5
66.04582	1.5
67.05504	10.7
69.03413	2.2
69.06730	1.6
69.07072	23.0
70.47580	3.8
71.08632	1.3
78.04696	1.9
79.05492	18.5
81.07060	27.0
83.08623	14.7
83.25324	1.1
89.03920	19.3
91.05483	15.6
93.07047	54.8
95.04939	2.3
95.08614	55.1
97.10165	5.8
98.73986	1.0
98.98491	2.8
103.05465	3.6
105.07037	15.6
106.04189	3.1
107.04953	1.8
107.08594	81.9
109.06506	1.8
109.10164	16.3
117.03385	32.6
117.07013	5.1
119.06062	1.6
119.08573	6.1
121.02908	1.8
121.06518	6.5
121.10146	100.0
122.31288	1.1
131.04901	1.6
131.08566	10.6
132.08066	2.0
133.10138	6.1
134.03618	6.1
135.04431	2.7
135.08037	4.0
135.11688	24.8
145.02846	54.0
149.02368	2.5
149.05977	17.4
149.09622	3.2
149.13257	10.5
159.11678	5.2
160.07585	4.0
162.03195	2.0
163.03958	2.3
177.05470	31.2
177.06871	2.4
177.09090	7.8
177.12849	10.5
177.16399	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86097	1.3
55.05514	14.0
57.07070	3.4
67.05503	7.7
68.10680	1.2
69.03429	1.7
69.06721	2.3
69.07069	26.0
71.08585	1.4
77.03957	1.7
78.04718	2.6
79.05495	23.8
81.07062	27.1
83.08627	16.1
86.73946	1.4
89.03926	28.4
91.05485	16.4
93.07048	52.2
95.04957	2.4
95.08613	50.8
97.10184	6.5
98.98469	3.1
103.05447	5.4
105.07040	14.7
106.04182	4.8
107.04952	3.5
107.08601	86.8
109.06555	1.4
109.10167	17.8
116.89870	1.3
117.03385	53.8
117.07024	6.7
119.08589	5.8
121.06544	9.0
121.10149	100.0
123.11663	1.6
129.07028	1.6
131.04884	1.4
131.08562	10.4
132.08087	1.8
133.10194	6.3
134.03645	6.5
135.04414	2.1
135.08047	4.4
135.11691	24.4
144.09300	1.5
145.02855	74.5
145.06509	1.4
146.03215	2.1
149.02243	1.9
149.05989	27.5
149.09607	4.0
149.13277	9.1
159.04501	1.4
159.08066	3.5
159.11694	8.7
160.07596	9.1
162.03137	2.2
163.03906	1.8
177.05469	37.3
177.09070	10.4
177.12836	14.5
177.16397	87.7
183.83260	1.2
186.05460	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03931	2.6
55.01869	2.1
55.05507	6.9
56.49845	1.0
57.03431	1.0
57.07068	1.8
59.04980	3.2
67.05502	5.5
69.03425	8.6
69.07066	7.5
70.83197	2.8
71.04994	8.1
77.03919	1.4
78.04691	2.0
79.05495	6.0
81.07064	11.7
83.04982	44.6
83.08598	1.4
85.06551	7.2
89.03918	25.8
90.21973	1.0
91.05489	17.3
93.07045	33.2
95.04958	2.7
95.08598	4.0
96.49566	0.9
97.06515	1.9
98.97534	1.2
98.98499	1.3
103.05473	2.5
105.06390	1.4
105.07037	18.9
106.04153	3.9
107.04945	3.7
107.08600	29.4
109.06506	4.0
115.05454	1.1
117.03385	51.8
117.07025	10.3
119.08585	15.4
121.06510	14.5
121.10149	11.5
123.08094	1.2
123.11700	1.1
124.91265	1.0
129.07005	5.6
130.07770	1.7
131.08578	14.6
133.10167	8.0
134.03644	7.4
134.07326	1.0
134.09653	1.9
135.04416	3.6
135.08058	13.4
135.10654	1.7
135.11679	16.5
136.08810	2.1
141.12720	1.6
144.09348	12.3
145.02850	78.3
146.31433	0.9
147.08081	1.2
149.05980	20.7
149.09581	4.7
149.13268	6.5
149.94534	1.0
157.10143	2.0
159.04506	1.1
159.08081	1.3
159.11700	48.5
162.03163	2.2
162.10402	2.1
163.03893	2.2
177.05472	34.0
177.09271	4.7
177.12753	100.0
178.12303	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	177.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01869	2.5
55.05526	5.4
57.07075	2.0
59.05006	2.4
63.26702	1.0
67.05515	5.2
69.03444	7.2
69.07074	8.0
69.65943	1.0
70.92795	2.3
71.05000	8.3
73.15475	1.0
75.98370	0.9
78.03426	1.0
78.04701	1.5
79.05496	5.5
81.07052	12.2
83.04487	2.0
83.04988	37.4
85.04027	2.1
85.06544	8.5
89.03918	33.6
91.05474	14.7
93.07047	28.1
95.04967	2.9
95.08606	3.2
97.06553	1.7
98.97591	1.1
98.98463	2.6
103.05460	3.4
105.04527	1.1
105.07037	15.5
106.04166	3.2
107.04961	2.8
107.08598	24.4
109.06515	3.4
109.10152	1.1
116.06255	1.4
117.03389	63.5
117.07024	9.4
119.08585	13.3
121.06503	11.7
121.10149	10.7
123.11739	1.8
129.07013	4.7
130.07703	1.1
130.64359	1.0
131.04968	1.3
131.08583	12.1
133.10123	8.4
134.03632	7.1
134.09657	1.8
135.04428	4.1
135.08061	13.5
135.11688	12.7
136.08850	2.2
141.12701	2.3
144.09344	11.5
145.02853	100.0
149.02354	1.4
149.05991	24.4
149.07124	1.9
149.09647	4.1
149.13272	6.5
158.05856	1.1
159.04517	1.1
159.11707	40.1
162.03149	2.1
162.10449	1.4
163.03932	3.2
177.05479	39.1
177.09204	6.3
177.12762	83.2
178.12325	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	177.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
55.05513	0.4
56.96572	13.7
57.03446	0.9
60.95876	0.3
61.02938	0.9
64.99770	0.3
67.05510	0.5
69.03426	1.9
69.07076	0.3
69.61635	1.6
70.06597	0.5
70.98142	0.4
71.01368	0.3
71.05024	0.4
71.95275	2.4
73.02926	3.0
74.97615	0.3
78.04736	0.5
79.05504	0.5
80.00252	0.4
81.01060	0.5
81.03432	0.9
82.54376	0.3
83.00799	0.9
83.01308	0.2
84.96066	0.6
85.02905	2.6
87.01042	0.3
88.04002	0.6
89.00800	0.7
89.03922	10.7
90.01572	0.4
91.05492	0.8
92.01336	0.3
93.07059	0.5
95.01328	0.4
95.04994	0.7
96.01566	0.6
96.14314	0.3
97.02910	1.7
98.01317	0.8
98.97591	100.0
99.04494	0.5
99.97929	0.4
100.99176	0.4
101.00806	1.1
103.05460	0.8
105.02125	0.3
106.04200	0.7
107.04949	2.6
107.08616	0.5
109.00523	0.4
109.02921	0.7
110.01305	1.7
110.03689	0.4
110.97566	1.9
111.14322	0.3
112.07608	0.5
112.99166	0.7
113.00842	1.3
113.02419	0.3
116.10748	0.4
116.98631	43.6
117.02009	0.7
117.03387	24.3
118.01059	0.6
119.01819	4.6
119.04948	0.3
120.08086	0.4
121.06496	0.5
121.10134	0.3
123.04492	0.6
124.01052	0.3
125.01793	0.3
127.03911	0.5
128.01382	0.5
128.02322	6.0
128.98611	1.5
131.00186	0.8
131.01903	2.2
131.04980	0.3
131.05971	0.3
133.01469	0.4
134.03645	2.3
134.99669	10.8
135.04468	1.2
137.02863	1.1
140.00175	1.1
140.98589	0.5
141.03900	0.4
143.00145	0.6
144.98087	0.5
145.02852	34.7
146.99702	0.6
147.03055	0.5
149.05995	8.0
149.07054	0.4
150.04430	0.6
153.00735	0.5
154.02051	0.9
154.03522	1.4
158.01292	0.4
158.99664	1.5
161.01231	0.5
162.03055	0.5
163.02690	0.5
163.03996	0.4
168.03650	0.5
168.05441	1.2
170.99684	0.3
173.01184	0.3
177.00720	2.0
177.04213	0.9
177.05460	11.3
190.98642	0.5
191.02203	0.5
193.12062	0.2
195.01732	0.4
197.16837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1436
Annotation	Nigrifactin
Peak:m/z	Relative Intensity
52.68558	0.3
54.44286	0.3
60.38373	0.3
66.17886	0.3
68.40228	0.3
70.06602	0.5
71.05025	0.5
73.05975	0.3
81.07056	0.3
89.03918	0.4
91.05476	0.6
96.43861	0.3
98.98511	0.3
99.69937	0.3
106.07375	0.3
107.08627	0.4
107.09547	0.3
113.65633	0.3
115.20599	0.3
116.07081	0.3
117.03347	0.4
118.06552	20.4
119.07333	0.7
120.08113	0.6
120.08852	0.3
124.61015	0.3
130.06482	0.5
130.08698	0.5
132.08104	6.2
133.08904	3.0
134.09647	1.2
134.10533	0.4
145.02872	0.8
146.09656	6.6
147.10428	1.0
148.07637	0.3
158.08099	0.4
160.11272	0.5
176.07047	1.1
176.14354	100.0
177.05515	0.5
177.12709	0.3
177.14705	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
55.05513	0.4
56.96572	13.7
57.03446	0.9
60.95876	0.3
61.02938	0.9
64.99770	0.3
67.05510	0.5
69.03426	1.9
69.07076	0.3
69.61635	1.6
70.06597	0.5
70.98142	0.4
71.01368	0.3
71.05024	0.4
71.95275	2.4
73.02926	3.0
74.97615	0.3
78.04736	0.5
79.05504	0.5
80.00252	0.4
81.01060	0.5
81.03432	0.9
82.54376	0.3
83.00799	0.9
83.01308	0.2
84.96066	0.6
85.02905	2.6
87.01042	0.3
88.04002	0.6
89.00800	0.7
89.03922	10.7
90.01572	0.4
91.05492	0.8
92.01336	0.3
93.07059	0.5
95.01328	0.4
95.04994	0.7
96.01566	0.6
96.14314	0.3
97.02910	1.7
98.01317	0.8
98.97591	100.0
99.04494	0.5
99.97929	0.4
100.99176	0.4
101.00806	1.1
103.05460	0.8
105.02125	0.3
106.04200	0.7
107.04949	2.6
107.08616	0.5
109.00523	0.4
109.02921	0.7
110.01305	1.7
110.03689	0.4
110.97566	1.9
111.14322	0.3
112.07608	0.5
112.99166	0.7
113.00842	1.3
113.02419	0.3
116.10748	0.4
116.98631	43.6
117.02009	0.7
117.03387	24.3
118.01059	0.6
119.01819	4.6
119.04948	0.3
120.08086	0.4
121.06496	0.5
121.10134	0.3
123.04492	0.6
124.01052	0.3
125.01793	0.3
127.03911	0.5
128.01382	0.5
128.02322	6.0
128.98611	1.5
131.00186	0.8
131.01903	2.2
131.04980	0.3
131.05971	0.3
133.01469	0.4
134.03645	2.3
134.99669	10.8
135.04468	1.2
137.02863	1.1
140.00175	1.1
140.98589	0.5
141.03900	0.4
143.00145	0.6
144.98087	0.5
145.02852	34.7
146.99702	0.6
147.03055	0.5
149.05995	8.0
149.07054	0.4
150.04430	0.6
153.00735	0.5
154.02051	0.9
154.03522	1.4
158.01292	0.4
158.99664	1.5
161.01231	0.5
162.03055	0.5
163.02690	0.5
163.03996	0.4
168.03650	0.5
168.05441	1.2
170.99684	0.3
173.01184	0.3
177.00720	2.0
177.04213	0.9
177.05460	11.3
190.98642	0.5
191.02203	0.5
193.12062	0.2
195.01732	0.4
197.16837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03946	1.1
55.05515	7.2
57.07056	1.7
65.03917	1.0
67.05496	2.7
69.06708	1.4
69.07069	12.9
70.06563	1.2
71.42258	1.3
79.05505	4.2
81.07065	22.9
83.08615	3.3
91.05491	16.4
93.06528	1.2
93.07041	7.8
95.04937	1.1
95.08054	1.4
95.08610	15.9
97.02906	0.9
98.98480	7.2
105.07036	42.3
107.08595	10.1
111.04465	1.3
115.03973	0.9
115.05477	1.8
117.07026	5.4
119.04893	1.8
119.08586	82.8
121.10198	1.2
127.28058	0.8
129.06963	1.7
131.08572	7.5
133.06493	1.6
133.10138	79.5
142.07790	1.3
145.10112	4.0
146.10904	2.4
147.04356	1.8
147.08069	1.7
147.11694	13.6
157.10124	3.3
160.05226	1.2
160.12483	1.7
173.13229	2.4
175.03951	1.2
175.07541	4.0
175.11270	7.4
175.14832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94232	0.4
53.58138	0.4
53.83031	0.4
60.89235	0.4
70.32108	0.8
70.32472	1.0
132.02121	100.0
133.02464	0.8
135.03632	0.4
150.03218	0.5
152.32649	0.4
176.01105	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
50.65210	0.7
53.83215	0.6
55.05512	5.4
57.07079	0.6
57.57235	0.6
57.87375	0.5
67.05504	1.2
69.07075	11.1
70.45869	1.7
70.77073	0.5
75.36012	0.5
79.05511	2.1
81.07068	11.3
83.08626	2.2
91.05482	8.0
93.07050	4.5
95.08607	6.1
95.09084	0.6
105.07039	21.0
107.08602	6.7
117.07029	3.5
119.08589	71.8
121.10158	2.0
124.58107	0.6
130.06667	0.6
131.08545	2.9
132.41876	0.5
133.10139	82.1
135.11697	0.6
145.10155	4.3
146.10881	1.2
147.11713	9.6
147.24873	0.6
159.11728	0.9
160.12451	3.6
173.13274	2.1
175.14835	100.0
176.15149	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.01883	0.6
55.05515	8.3
55.88295	0.5
57.03447	1.0
57.07080	2.6
59.22028	0.5
62.92391	0.6
67.05511	3.0
69.07074	19.2
69.58788	3.8
70.06593	1.9
79.05499	2.3
81.07068	7.8
83.04985	2.7
83.08626	4.5
85.06551	59.3
87.04482	1.0
87.10024	0.7
87.89458	0.6
91.02178	1.0
91.05487	9.4
93.07038	3.7
95.08609	6.0
97.02898	1.1
98.98477	4.6
103.05482	1.1
103.49774	0.5
105.07038	26.6
107.08596	6.9
111.04424	0.8
115.04047	0.6
115.05452	1.6
117.07057	3.2
119.04942	1.7
119.08591	80.2
121.10158	2.3
128.06198	0.6
129.07048	0.9
131.08577	4.3
132.09367	0.7
133.10143	69.0
134.10640	0.7
135.11688	0.6
142.07780	1.6
145.10144	5.4
147.04376	0.6
147.08047	1.2
147.11700	12.5
151.95723	0.6
157.10158	2.1
160.05191	1.9
160.12477	3.7
167.62495	0.6
173.13287	2.1
175.03908	0.8
175.07535	3.9
175.11304	6.7
175.14838	100.0
176.15161	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.05501	0.4
57.03438	1.2
65.18201	0.2
67.05502	0.6
69.03450	0.6
69.07080	0.3
69.44597	1.6
79.05493	0.8
81.07069	0.5
87.04460	0.9
91.05488	13.1
93.07059	0.7
95.05008	0.5
95.08615	0.5
97.02911	0.7
98.03664	0.4
98.20757	0.6
98.98474	5.2
103.05484	0.6
104.06247	0.5
105.03394	0.3
105.07053	3.2
107.04984	0.4
107.08592	0.3
111.04430	0.4
113.75978	0.3
115.03918	0.4
115.05482	0.6
116.51430	0.3
117.07025	2.6
118.07765	0.3
119.08585	100.0
120.08891	0.6
125.02386	0.4
128.06265	0.9
129.06999	3.0
131.04922	0.4
131.08559	1.3
133.06497	1.1
133.10126	2.3
139.03880	0.5
142.07765	1.3
145.06491	0.6
145.10141	0.5
146.07288	1.5
147.08054	6.7
147.11688	13.4
157.10156	2.0
175.03856	0.3
175.07654	1.0
175.11192	24.9
186.94162	0.3
194.92049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.40740	1.2
55.77133	1.2
56.17934	1.2
56.63973	1.1
57.03438	100.0
60.48515	1.2
62.52382	1.3
69.07063	1.8
70.06594	2.2
74.28304	1.1
77.57826	1.3
79.05486	2.4
81.07061	2.7
84.53339	1.1
85.54025	1.0
87.04473	1.4
90.24832	1.1
91.05479	9.5
93.07026	2.0
97.02864	1.4
98.98466	18.5
105.07030	8.7
107.05033	1.8
107.08603	1.4
117.07004	3.3
119.08579	47.5
129.07031	2.8
131.08537	1.6
133.10117	7.8
147.08063	7.6
147.11674	5.3
156.76125	1.2
157.10152	3.6
175.07520	3.9
175.11172	37.5
175.14720	8.0
182.64784	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	3.5
55.05516	6.5
56.96574	18.1
57.03431	5.5
60.05642	3.7
61.02913	3.0
61.19896	2.4
65.03930	2.4
67.04361	2.5
67.05488	7.4
68.54974	2.2
69.03432	9.5
69.07072	12.9
69.83766	5.5
69.84182	8.2
70.06596	14.6
70.95870	2.2
71.04995	5.5
72.08171	15.1
72.93760	3.1
73.02950	3.4
79.05511	12.9
81.03414	3.7
81.07066	13.1
83.04968	4.1
83.08614	7.0
85.02924	5.7
85.06541	14.5
87.04488	3.6
91.05485	12.3
93.07047	25.6
95.04980	5.6
95.08615	3.1
97.02917	11.5
97.06536	100.0
98.97578	9.0
98.98455	14.3
99.04491	3.7
105.03415	2.9
105.06998	3.1
109.06520	9.8
111.04468	3.9
111.08095	16.3
113.06033	3.1
115.07536	2.9
116.07088	3.4
119.08564	3.0
121.06533	3.0
127.03937	3.3
127.07550	22.5
130.06497	2.7
130.09775	2.4
132.95837	8.5
133.10152	3.4
133.96005	3.4
139.07539	22.0
147.04410	5.7
157.08656	12.3
157.42844	3.3
158.11745	2.6
160.99312	2.8
162.98967	2.5
175.06049	3.1
175.07440	6.2
175.11990	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	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03926	3.2
55.05509	10.6
57.07059	1.2
57.75485	1.0
59.04985	1.5
65.03923	2.2
67.05496	10.8
69.03401	1.3
71.25188	2.3
72.93782	7.0
79.05493	9.1
81.07061	11.1
83.04964	9.4
85.06525	1.1
90.90361	1.8
90.94833	8.0
91.05478	44.4
93.07041	8.1
95.04952	1.7
95.08584	3.8
99.04433	1.1
101.06034	7.5
102.04746	1.0
103.05431	3.1
105.07030	41.9
107.08542	1.2
108.95866	1.6
109.10114	2.0
111.04450	13.1
113.64478	1.0
113.96432	1.5
115.05450	16.4
116.06233	9.9
117.06217	1.8
117.07017	27.3
119.08589	27.6
119.09451	1.3
121.10089	1.3
127.07553	1.8
128.06224	11.7
128.42007	0.9
129.05464	2.6
129.06998	33.9
130.04207	1.2
130.07791	13.2
131.08566	100.0
132.09206	0.9
133.10123	7.4
142.07782	2.5
143.08559	67.9
144.09343	15.8
145.06487	8.6
145.10123	49.6
145.11299	1.5
149.96097	3.5
155.05919	4.9
155.07039	7.2
155.08543	2.9
156.09308	2.3
157.10117	2.9
158.07268	5.7
158.10910	43.3
167.97125	2.6
168.80989	1.0
171.11668	1.9
173.02293	1.1
173.05911	5.5
173.08131	15.5
173.09624	22.8
173.13258	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0966
Annotation	Suberic acid
Peak:m/z	Relative Intensity
53.03931	1.7
55.05502	4.5
55.10928	1.2
56.96565	7.4
57.03436	5.3
57.07063	1.3
60.05635	4.9
61.02930	1.3
67.05489	4.8
69.03419	5.0
69.07072	10.7
70.06602	11.1
70.83571	1.0
71.04989	4.1
71.39133	1.1
72.04524	1.3
72.08161	8.8
73.02917	2.6
77.58430	1.0
79.05511	5.6
79.25415	0.9
81.07052	13.6
83.04971	3.6
83.08624	7.5
84.08143	1.6
85.02899	3.5
85.06544	14.7
87.04452	2.6
91.05495	6.7
93.07053	21.4
95.04934	2.5
95.08601	1.5
97.02892	4.8
97.06535	100.0
98.97583	7.1
98.98479	10.4
99.04443	2.5
102.96889	1.3
107.31753	1.1
109.06534	7.7
111.04455	2.8
111.08082	12.1
113.06023	2.8
115.03967	1.1
115.07544	1.5
116.07092	3.2
116.98619	1.3
117.60818	1.0
119.08595	2.4
121.06505	2.5
127.07561	16.9
128.02319	1.2
129.05496	1.6
130.06587	1.9
130.09802	1.0
132.95836	3.0
133.96082	1.2
139.03879	1.4
139.07544	13.9
147.04405	2.3
147.08043	1.5
157.04930	1.7
157.08603	11.6
158.11772	3.2
158.99702	2.4
160.05287	1.5
163.04404	1.4
174.98833	1.4
175.06120	2.0
175.07564	4.1
175.11829	4.3
175.14610	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03951	0.5
55.05518	5.0
57.07074	0.8
59.04982	0.7
64.87459	0.4
67.05494	1.8
69.07059	0.7
71.55465	0.7
72.93794	2.9
79.05492	0.7
81.07054	4.1
83.04997	3.6
85.06535	1.0
90.94830	1.9
91.05489	6.7
93.07051	1.1
95.08601	1.6
99.04456	0.7
101.06030	2.9
105.07037	7.1
109.10161	0.7
111.04444	5.7
113.05995	0.6
115.05473	2.0
116.06223	1.8
117.07018	5.8
119.07802	0.9
119.08593	10.0
127.07576	1.1
127.66251	0.5
128.06256	0.9
128.10762	0.4
129.05489	1.0
129.07010	5.3
130.07764	2.9
131.08577	56.8
133.10135	1.6
142.07761	0.5
143.08571	12.2
144.09369	5.9
145.06499	2.1
145.10135	23.8
149.96123	1.2
155.06075	0.5
155.07045	3.6
155.08369	0.6
156.09354	1.0
157.10159	0.7
158.07333	1.0
158.10921	19.8
167.97217	0.9
171.11725	2.2
173.05960	0.9
173.08139	6.6
173.09679	5.0
173.13274	100.0
174.13603	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48846	0.6
51.02360	0.6
53.03946	0.9
54.52641	0.6
55.01880	3.1
55.05512	8.9
56.66239	0.5
57.03434	5.4
59.04979	1.3
65.03944	3.7
65.94064	0.7
67.05505	57.4
68.99807	0.6
69.03426	3.3
69.07074	4.1
69.72922	2.8
70.06560	0.5
71.04991	2.1
72.04184	0.6
72.04520	5.6
72.08151	1.4
73.02920	4.3
79.05496	31.7
81.03414	0.9
81.07059	30.0
82.49504	0.5
83.04984	9.7
83.08618	3.4
85.02888	2.1
85.06545	2.5
86.09715	2.0
87.04462	6.8
89.07166	5.0
91.05482	7.1
93.03404	3.9
93.07040	6.5
95.04967	2.0
95.08607	8.1
97.06540	5.6
97.10170	2.0
98.21472	1.2
105.07037	3.7
107.04961	2.9
107.08596	100.0
109.06542	4.2
109.10155	22.3
110.01264	0.8
111.04445	34.9
111.08076	4.7
112.04964	0.6
115.05452	0.6
117.07030	1.3
119.01782	0.9
119.06050	0.8
123.11696	1.1
125.06007	2.1
125.09631	10.7
128.02318	1.1
128.06229	1.7
128.98672	0.6
135.04433	0.9
135.08070	6.9
135.11708	2.5
139.00243	0.9
139.03923	1.7
141.12732	0.6
143.05991	0.7
143.08588	1.7
153.05519	1.0
153.09106	39.1
153.12770	1.9
156.09367	3.9
171.02928	0.6
171.08032	1.3
171.10181	8.4
171.11671	3.9
171.14975	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	171.1017
Annotation	Isoboonein
Peak:m/z	Relative Intensity
53.03947	1.6
55.01870	2.5
55.05517	8.1
55.96164	0.5
57.03440	6.1
57.07072	1.1
65.03955	3.8
67.05510	60.7
68.99790	0.7
69.03417	2.8
69.07090	3.5
70.78476	0.7
70.78796	0.9
71.04990	2.7
72.04519	5.4
72.08168	2.9
73.02914	4.3
79.05498	34.5
81.07064	32.9
83.04987	10.6
83.08635	2.9
85.02907	2.0
85.06538	2.3
86.09709	2.5
87.04478	4.3
89.07162	3.7
91.05486	8.7
93.03410	4.3
93.07062	6.8
95.04977	1.3
95.08608	4.5
96.56324	0.6
97.02882	0.8
97.06548	4.4
97.10184	1.9
99.04465	0.9
105.07037	3.5
107.04967	1.9
107.08604	100.0
109.06548	2.8
109.09605	0.5
109.10164	21.0
111.04451	35.9
111.08096	4.9
115.05500	1.8
117.07008	1.8
119.06091	1.1
125.05980	1.9
125.09645	12.1
126.09215	0.6
127.07597	0.7
128.06255	2.2
130.56076	0.6
135.08067	8.1
135.11703	2.0
139.00278	1.0
139.03926	1.4
142.07687	0.7
143.08620	1.9
153.09122	39.1
153.12782	1.7
156.09375	3.3
171.03033	0.7
171.07942	1.1
171.10194	9.5
171.11711	4.0
171.14917	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	171.1015
Annotation	Isoboonein
Peak:m/z	Relative Intensity
53.03947	0.8
53.89775	0.4
55.01875	5.1
55.05511	34.2
56.96558	1.1
59.04990	2.1
65.90298	0.5
66.70200	0.4
67.05490	0.8
68.99820	0.4
69.03421	0.5
69.07070	37.4
69.86595	0.8
69.87011	1.4
72.04514	8.3
73.02903	0.9
77.87555	0.4
79.05497	1.7
81.07068	1.1
83.04980	0.9
83.08618	100.0
84.04516	0.7
84.08958	0.8
85.02923	0.8
89.07154	7.4
91.05483	1.4
93.07045	12.0
95.04975	0.4
97.06531	17.9
98.97586	0.7
101.09656	1.8
107.08605	1.0
110.01238	0.5
111.04446	0.9
111.08081	22.4
111.11658	0.4
119.01815	1.4
121.06522	0.6
125.05988	0.4
128.02310	0.6
128.06227	1.0
129.07011	0.5
129.09143	1.4
130.52559	0.6
139.00243	0.5
139.03909	0.5
139.07544	2.8
139.53195	0.7
141.07042	0.9
143.08588	1.6
143.10674	20.8
154.08665	0.6
156.09323	5.1
171.08070	1.5
171.10182	4.4
171.11723	5.1
171.14946	7.1
172.09747	0.5
188.71857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.086
Annotation	Methylhexahydrophthalic anhydride
Peak:m/z	Relative Intensity
52.34320	0.7
53.03937	1.1
55.01875	100.0
55.05508	3.7
57.03424	1.3
57.07056	2.0
65.03931	2.6
65.63334	0.7
67.05506	12.2
69.03405	1.3
69.07073	36.3
71.04977	3.2
71.56159	1.4
79.05497	13.1
81.03413	2.4
81.07060	19.4
83.04986	1.4
83.08609	1.1
83.60950	0.7
85.02924	0.7
85.06535	3.1
86.57360	0.7
87.07299	0.7
88.53413	0.7
91.05475	9.5
93.07042	5.9
95.04959	2.5
95.08612	56.0
97.06533	17.2
99.04433	2.0
99.08088	1.2
105.07042	11.7
107.04967	2.2
107.08606	16.0
109.02875	2.3
109.06519	19.9
109.10161	10.5
111.00797	1.7
111.04436	2.6
111.08085	5.1
123.04462	1.3
123.07184	1.6
123.08071	20.4
123.11691	4.1
125.05936	1.0
125.09580	1.2
126.03152	2.3
127.07561	1.6
127.11170	3.0
133.06485	3.4
133.10112	2.8
141.05479	7.4
141.06956	1.6
141.09131	1.7
151.03932	0.8
151.07553	12.8
151.11209	3.8
154.07722	1.4
161.67110	0.8
169.05038	5.3
169.07338	5.6
169.08881	9.3
169.10132	3.0
169.12260	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	170.0813
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.03952	0.7
55.01867	1.1
55.05510	1.7
55.93540	0.8
56.05043	3.3
56.96572	6.0
57.03431	1.1
58.61294	0.6
65.03931	0.9
67.05488	1.8
68.05023	2.2
69.03439	3.8
69.07049	1.2
70.06599	57.9
70.21876	1.5
71.04971	0.9
72.08175	0.7
73.02921	1.2
79.05503	6.3
80.05013	1.2
81.03406	1.1
81.05814	0.9
81.07056	2.1
82.02931	0.7
82.06576	2.1
83.04976	2.0
84.04491	2.7
84.08147	1.1
86.06060	0.8
87.04472	1.6
90.84222	0.6
93.05800	0.8
94.06557	2.0
95.04972	0.8
96.04510	0.7
96.08140	29.4
97.02892	1.2
97.05257	0.6
97.06562	0.9
98.06039	0.8
98.09720	0.6
98.97588	2.4
100.07632	0.6
104.97793	0.6
106.06567	13.4
107.04951	0.9
108.08118	4.6
109.06541	1.1
109.07726	0.6
110.06025	1.8
110.07195	0.8
110.97594	2.5
111.04447	6.8
111.87806	0.7
114.05524	1.0
114.09183	9.5
116.98635	0.9
124.07605	65.3
124.11225	7.3
125.06004	0.8
125.08376	2.6
127.03983	0.9
128.07088	2.0
128.95100	2.7
128.98633	2.3
134.06030	7.9
136.06264	0.8
138.54135	1.1
139.00267	1.9
139.03908	0.7
142.08647	30.6
146.96100	1.0
146.99681	0.8
147.05019	0.9
152.05869	1.1
152.07079	17.7
153.01842	1.2
155.03389	0.8
170.08145	100.0
170.09459	3.9
170.11755	12.3
171.02969	0.7
171.08574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73944	2.7
56.96557	4.0
70.06586	13.0
70.23077	11.7
73.02897	3.7
83.03839	3.0
85.02952	3.0
95.52306	3.3
98.20872	3.3
98.97586	13.4
115.56078	3.0
116.07114	17.0
131.53421	4.2
168.04189	9.4
168.06337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	3,4-Dihydroxymandelaldehyde
Peak:m/z	Relative Intensity
53.03944	1.8
55.01865	2.1
55.05510	3.6
57.03429	1.0
57.07071	0.7
59.05001	1.6
59.89174	0.6
60.20614	0.5
65.03945	74.0
66.04275	0.8
67.05505	6.5
68.99788	1.2
69.03430	4.6
69.07076	3.3
70.06583	1.9
70.62583	1.4
70.62928	0.7
71.01350	1.0
71.04999	3.4
77.03960	0.6
79.05502	4.1
81.03429	5.1
81.07063	11.9
83.04975	3.2
83.08627	1.2
84.08148	0.7
85.02898	1.6
85.06554	2.0
85.94637	0.6
87.04430	0.6
91.05478	2.3
93.03413	62.9
93.07053	5.9
95.04984	4.5
95.08611	8.5
97.02870	1.3
97.06535	4.2
98.03660	0.9
99.04460	2.6
99.08096	1.3
105.04530	0.7
105.07060	4.4
107.04953	1.4
107.08585	4.7
108.02116	1.7
109.02894	10.1
109.06527	5.5
109.10164	5.9
110.03674	15.0
111.00839	3.7
111.04452	100.0
111.08088	28.5
111.08873	1.1
112.04761	0.9
113.05978	1.1
121.10135	1.5
123.04455	2.9
123.08064	4.7
123.11706	7.1
124.04655	0.9
124.07619	0.6
125.06002	46.9
125.09614	0.9
126.03143	6.0
126.09149	0.8
127.03941	1.2
127.07564	0.8
127.11172	0.6
133.10143	2.3
134.05988	1.7
139.11263	0.7
141.05489	19.3
141.09106	0.7
142.08679	0.7
151.03922	21.5
151.05016	2.0
151.07500	2.7
151.11205	4.4
154.02612	2.0
156.45224	0.6
169.04990	20.5
169.07559	3.1
169.09871	1.7
169.12228	4.9
169.17851	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.2
53.70465	3.2
55.01867	9.4
55.07238	3.5
56.96569	69.0
57.03422	13.8
61.02923	10.3
65.03947	3.6
67.05515	6.5
69.03425	20.6
69.97017	7.2
69.97434	12.1
70.06601	40.1
71.05003	5.1
73.02927	26.2
75.01025	6.4
81.03420	6.7
82.01434	4.4
84.01585	5.7
84.96027	12.2
85.02911	25.4
88.02677	9.3
89.00793	7.5
91.00520	6.6
91.65435	4.0
93.01976	4.4
94.06563	12.9
94.99855	4.7
95.52351	6.0
97.01338	4.3
97.02892	17.4
98.01284	4.5
98.97603	48.6
99.04478	4.9
100.02500	10.1
101.00886	9.7
102.01531	7.2
102.02384	4.6
103.00611	22.5
103.02460	5.7
103.03200	7.5
103.03902	4.7
104.00968	4.3
104.52837	5.0
106.06606	4.2
108.02372	4.0
109.02879	8.1
110.97562	9.3
111.02083	8.4
111.02853	5.0
112.01035	6.0
112.02748	3.8
113.00890	24.5
113.02370	8.6
114.04102	4.0
115.02431	5.2
116.07098	40.3
116.98609	13.1
118.00913	4.1
118.03642	5.2
119.01903	23.8
120.02615	4.9
121.01667	26.3
122.01997	13.4
122.06040	21.2
122.52848	4.6
123.14938	3.7
125.01804	4.3
126.97028	13.5
127.02477	9.3
127.03896	10.9
128.98560	11.4
131.00172	10.3
131.01909	53.1
133.03448	15.3
134.00504	11.9
143.01917	4.9
144.03220	12.1
144.98087	14.3
145.01712	10.7
145.03526	49.4
145.51256	10.7
146.99655	5.5
147.03142	9.2
147.04999	6.6
149.01186	17.2
149.02959	5.1
149.04797	6.2
150.05518	95.0
150.06679	9.1
152.07072	4.5
153.08907	5.7
154.03474	13.6
157.03465	5.4
158.99631	5.2
161.02992	4.4
162.99127	8.9
163.02777	5.0
163.04573	9.9
168.05089	7.9
168.06441	100.0
168.07715	13.7
168.10225	5.5
172.02754	6.4
175.04514	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	167.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	68.1
57.07071	10.3
67.05489	2.6
69.07072	100.0
70.95737	2.1
71.08617	7.7
71.55756	3.1
74.69984	2.5
76.49677	2.1
79.26274	2.3
81.07067	2.7
83.08621	25.9
97.06516	2.6
97.07634	2.9
97.10171	40.0
110.18396	2.2
111.11710	13.7
117.03252	2.5
120.71095	2.2
121.08386	2.5
121.36411	2.2
125.07311	3.4
125.08241	53.0
128.53156	2.4
143.96753	2.3
149.02304	3.1
167.07021	3.0
167.09285	3.9
167.12965	3.4
168.06508	2.5
176.05051	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	8.5
69.03458	3.5
69.80029	11.5
69.80443	7.6
70.06593	14.6
71.65466	3.3
73.02927	6.7
77.69068	3.3
77.89313	3.2
84.87775	2.8
85.02916	3.6
94.06566	3.9
98.21476	3.7
98.97600	14.8
110.97534	4.4
112.04542	3.2
115.02430	3.3
116.07127	18.0
122.06029	10.4
124.03945	3.7
145.03531	7.5
150.05524	35.8
153.09018	8.8
168.04259	5.6
168.06406	100.0
168.07709	10.3
168.11340	3.8
172.02760	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	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03940	6.2
54.08471	1.9
55.05513	15.5
56.96579	1.9
57.03440	33.6
57.07066	3.9
59.04996	4.0
65.03930	2.2
67.05172	2.7
67.05506	31.3
69.03421	2.8
69.07070	23.3
70.74709	3.5
71.04999	44.4
73.06560	17.1
74.97661	1.8
77.03922	1.8
78.04714	5.4
79.05495	32.9
81.07060	48.8
83.04996	3.8
83.08627	9.2
85.06565	2.8
86.84140	1.7
91.05486	10.9
93.07044	59.9
95.04967	12.1
95.08611	100.0
96.08947	2.4
97.06533	8.4
105.04453	2.3
105.07012	9.3
106.04144	1.7
107.04996	3.9
107.08600	61.9
109.06542	4.4
109.10155	28.6
111.08088	8.7
121.01706	1.7
121.10141	33.0
123.04466	7.8
123.08073	17.6
123.11707	9.5
124.05223	2.9
125.09617	13.9
129.76210	1.5
131.08569	4.0
138.90970	1.5
139.07542	1.8
139.11166	2.7
149.02365	2.6
149.09656	5.8
149.13263	36.4
151.03943	1.6
164.75041	1.8
167.03395	3.9
167.07051	47.9
167.08411	1.8
167.09380	2.0
167.10667	11.5
167.14322	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	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
52.52650	1.1
53.03943	2.5
55.01853	1.0
55.05504	4.1
57.03442	22.6
59.05010	1.5
67.05505	5.0
69.03423	1.9
69.07072	3.1
69.97935	4.0
71.04989	1.6
75.04480	5.2
77.03913	2.4
78.04704	4.5
79.05501	28.3
81.03441	1.2
81.07055	12.3
83.04995	2.6
83.08669	1.5
91.05483	17.7
93.07052	100.0
95.04971	9.6
95.08604	9.3
97.02916	1.3
97.06535	4.9
98.20887	1.8
103.05460	1.2
105.03418	2.3
105.04540	2.0
105.07043	13.2
106.04194	1.9
107.04964	4.2
107.08604	27.3
109.06520	3.2
111.04486	1.2
111.08094	19.9
111.08843	1.3
119.05985	1.4
119.08562	3.0
121.01678	1.5
121.02849	1.2
121.06494	3.9
121.10155	82.3
123.04447	9.1
123.08081	14.2
123.11697	4.2
124.05232	4.3
125.06029	1.9
125.09623	8.8
131.08559	5.0
139.07503	1.9
139.11195	10.0
144.03258	1.8
149.02365	3.8
149.06142	1.2
149.09613	13.9
151.03932	2.6
152.04692	3.2
156.11574	1.2
167.03398	2.6
167.05643	2.2
167.07060	45.2
167.08420	2.2
167.10686	16.9
167.11955	1.9
167.14270	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.9
55.01857	2.7
55.05271	1.6
55.05515	21.2
57.03440	41.3
57.07079	3.4
59.04987	3.2
62.16699	1.5
65.03930	4.6
67.05507	26.0
69.03433	5.5
69.06729	2.4
69.07068	33.5
71.04636	2.9
71.04995	27.6
71.55774	2.9
73.06548	7.7
77.03911	1.7
77.96822	1.8
78.04704	10.3
79.05495	89.4
81.03413	4.0
81.07059	61.7
83.05003	8.0
83.08621	13.8
85.06546	9.1
91.05488	17.5
93.07043	70.9
93.07638	3.9
95.04976	26.6
95.08608	70.2
97.06526	11.1
97.10161	4.2
99.08092	4.2
103.00598	2.3
105.03386	9.7
105.07044	10.4
106.04171	7.1
107.04945	6.9
107.08598	71.8
109.02920	2.8
109.06505	5.8
109.10154	21.6
111.04459	2.3
111.08084	16.2
121.01674	4.2
121.06512	6.6
121.08383	2.4
121.10149	43.8
123.04444	21.3
123.08070	32.1
123.11701	19.7
124.05203	7.3
125.05995	2.4
125.09637	22.2
131.08603	5.0
135.04359	2.5
139.02721	1.9
139.07529	3.9
139.11201	4.5
143.96558	2.0
144.03259	4.7
149.02370	11.5
149.06029	2.4
149.09610	13.3
149.13251	36.3
151.03970	3.0
152.04689	5.1
167.03441	8.5
167.07051	100.0
167.08553	5.2
167.10670	23.9
167.11955	2.6
167.14313	55.9
169.07504	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02370	0.3
53.03953	3.2
54.28076	0.3
55.01873	1.7
55.05507	0.8
57.03438	0.3
58.82129	0.2
59.04998	0.5
65.03941	0.9
67.05515	1.6
68.99792	0.3
69.03425	0.9
69.07059	0.5
69.95770	1.0
71.04971	0.3
77.03923	1.0
78.04719	3.4
79.05497	23.8
80.05814	0.4
81.03408	1.0
81.07056	3.1
83.04978	1.1
83.08609	0.4
83.32708	0.3
91.05485	8.5
92.05812	0.3
93.07047	14.6
95.04967	3.5
95.08600	1.1
96.05730	0.3
97.02904	0.7
97.06516	1.1
103.00576	0.4
103.05490	1.4
105.03415	2.0
105.04512	1.2
105.07037	1.1
106.04192	1.6
107.04954	3.0
107.08596	4.3
108.02103	0.3
109.02898	0.4
109.06520	1.9
109.10154	0.4
110.72669	0.3
111.04429	0.9
111.08099	0.6
119.04956	0.3
119.08593	0.3
121.01637	0.6
121.02898	3.2
121.06512	9.5
121.08434	0.3
121.10143	3.9
122.03686	0.4
123.04433	7.0
123.05313	0.4
123.08051	1.0
124.05230	1.7
125.05992	0.7
125.09613	0.9
131.08592	0.7
134.03670	0.5
135.04471	0.5
137.06021	0.5
139.03813	0.4
139.07529	1.2
139.11221	0.6
144.03233	0.8
149.02365	3.7
149.03482	0.5
149.04938	0.3
149.05995	7.3
149.09610	2.0
151.03885	1.3
152.04700	1.4
167.03432	3.0
167.07045	100.0
168.04173	0.4
168.07385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	MTHPA
Peak:m/z	Relative Intensity
51.02390	0.4
53.03949	3.3
55.01866	1.8
55.05510	2.0
57.03423	0.9
57.07068	0.4
59.04988	0.7
65.03933	1.2
65.05983	0.3
67.05506	2.3
68.99814	0.5
69.03439	1.8
69.07067	1.7
69.15807	0.3
70.06551	0.4
70.09914	1.6
71.04974	0.8
77.03928	0.7
78.04719	4.9
79.05496	30.0
81.03413	1.0
81.07058	4.8
83.04974	2.3
83.08615	0.8
85.06536	0.7
89.00592	0.4
91.05480	9.7
93.03385	0.5
93.07048	17.1
95.04979	4.9
95.08617	2.2
97.02906	2.2
97.06547	2.3
98.21419	0.4
100.06966	0.3
103.00613	0.7
103.05467	1.5
105.03401	2.4
105.04513	1.2
105.07045	1.9
106.04190	1.8
107.01324	0.5
107.04963	3.5
107.08601	10.9
109.02890	0.5
109.06515	3.9
109.10165	0.6
111.04436	0.9
111.08049	1.1
119.04932	0.5
119.08560	0.4
121.01689	1.1
121.02890	3.2
121.06514	12.9
121.10146	9.5
122.03649	0.4
123.04440	9.4
123.08084	2.6
123.11706	0.6
124.05211	3.0
125.05988	1.5
125.09653	1.5
126.06643	0.9
131.08580	1.3
134.03575	0.5
135.04413	1.1
139.03912	0.4
139.07526	1.9
139.11185	1.3
144.03241	1.2
147.04411	0.5
149.02359	4.6
149.04951	0.8
149.05992	6.8
149.09613	2.8
151.03893	1.5
152.04657	1.8
167.03419	3.3
167.07047	100.0
167.10657	3.8
167.14334	1.0
168.07446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
53.99806	0.3
55.05517	2.4
57.00185	0.3
57.07065	1.0
65.10053	0.3
67.05507	14.7
69.03419	0.4
69.07069	3.5
71.04262	0.4
71.04610	0.5
77.31989	0.3
79.05482	1.3
81.07059	14.8
82.01451	0.6
82.99824	0.7
83.01523	1.1
83.08624	2.1
91.05464	1.0
93.07040	0.9
95.04982	0.6
95.08610	25.3
97.02892	0.3
100.02462	2.1
101.00874	7.7
101.02570	3.4
102.02247	0.8
105.07043	0.4
107.08595	0.6
109.06472	0.5
109.10159	25.4
110.40797	0.3
110.65536	0.3
118.03547	0.7
119.01925	34.0
119.03606	1.8
119.04909	0.8
119.08543	0.4
120.02047	0.7
121.02296	0.4
123.11716	3.8
123.95518	0.7
124.02448	10.6
124.04113	0.4
132.54073	0.3
137.02953	8.4
137.09618	0.4
142.03502	100.0
143.03622	3.3
144.03876	0.5
147.04457	2.3
160.04558	20.5
161.04695	0.6
165.05103	7.6
165.09097	0.8
165.12785	0.8
165.16386	2.6
183.06158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
66.58814	0.2
71.16461	0.4
77.03873	0.2
79.05482	0.9
79.14461	0.2
91.05474	0.7
93.07047	1.9
103.05470	9.0
107.04967	1.8
117.68185	0.2
118.06493	0.2
120.08109	100.0
121.08467	0.9
127.87993	0.2
131.04926	2.1
131.71689	0.2
149.05977	0.5
166.08655	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1639
Annotation	1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane
Peak:m/z	Relative Intensity
53.00029	0.6
53.03943	1.0
54.49666	0.5
55.05515	6.4
57.03463	0.9
57.07079	6.9
63.21923	0.5
64.73164	0.5
65.03934	0.6
67.05508	32.5
69.03435	2.0
69.07072	8.2
70.12180	2.4
71.08640	4.1
79.05498	6.3
81.03381	1.1
81.07061	32.6
83.04982	0.7
83.08623	4.2
85.10192	1.6
91.05486	6.2
93.07042	4.3
95.05002	3.1
95.08609	59.2
97.10165	0.6
97.79643	0.6
101.00899	2.2
103.05453	0.9
105.07041	3.6
107.04971	1.2
107.08595	6.1
109.06551	3.5
109.10161	100.0
110.10500	1.4
117.07009	0.8
119.01922	5.8
119.04943	5.8
119.08596	6.0
121.10146	3.4
123.04387	0.7
123.08090	3.4
123.11713	28.8
124.02457	0.6
133.02856	1.6
135.08116	0.8
137.03018	0.7
137.05988	1.4
137.09624	8.1
137.13258	2.6
142.03491	4.9
147.03255	0.7
147.04417	13.1
147.08061	1.3
147.11673	3.3
149.09596	0.8
150.10400	2.7
160.04575	1.2
165.05452	1.9
165.06911	0.9
165.09135	5.7
165.12776	24.6
165.16397	22.7
174.29971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.60588	0.8
53.03945	1.4
53.53146	0.8
55.01872	1.3
55.05511	4.9
57.03421	2.8
57.07066	2.5
59.05008	1.4
61.69044	0.7
61.77091	0.7
65.03928	1.1
66.39780	0.7
67.05508	10.8
69.03442	3.7
69.07054	3.0
69.21747	5.0
69.22171	2.6
71.04983	0.9
79.05492	6.5
81.03418	1.9
81.07062	15.9
83.04967	2.8
83.08620	2.2
85.02888	0.9
91.04961	1.2
91.05488	12.6
93.07045	10.9
95.04986	8.5
95.08607	14.1
95.51536	0.6
97.06491	1.4
98.21455	1.6
101.00900	5.6
103.05436	0.9
105.07041	11.2
105.07699	1.2
106.69178	0.6
107.04956	1.6
107.08598	12.0
107.82605	0.7
109.06522	17.4
109.10163	14.8
111.08067	0.8
113.19016	0.6
117.07014	1.8
119.01923	11.0
119.04939	11.4
119.08588	19.8
121.06532	1.6
121.10155	21.2
122.07290	5.4
123.04424	1.8
123.08070	11.0
123.11697	5.4
124.02468	1.7
133.02873	3.8
135.08058	2.3
137.05963	2.3
137.09621	100.0
137.13248	2.4
138.09953	1.4
142.03490	9.9
145.10141	1.2
147.04416	24.4
147.08063	2.7
147.11696	7.2
148.02211	0.9
150.10382	2.7
151.59996	0.9
160.04568	2.4
165.05435	3.5
165.06911	1.5
165.09105	7.1
165.12764	50.0
166.08702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
50.24125	0.9
50.41896	0.8
53.03936	1.4
55.01883	2.0
55.05510	5.7
57.03443	4.5
57.07082	4.4
59.04990	2.8
65.03932	2.9
67.05508	29.4
69.03436	7.7
69.07069	8.7
71.04990	2.5
71.19688	1.6
77.03902	0.8
77.37974	0.8
79.05499	15.3
81.03414	4.4
81.07059	32.9
83.05000	4.1
83.08613	2.0
85.02910	0.9
85.06511	0.8
91.05487	30.8
93.07050	11.5
95.04362	2.0
95.04975	40.1
95.08608	29.6
97.06570	1.2
101.00871	3.5
103.05452	1.9
105.06300	1.1
105.07037	24.2
107.04961	5.4
107.08601	49.1
108.05704	1.2
108.08871	1.1
109.06528	25.9
109.09401	1.2
109.10149	7.4
110.07284	2.5
111.08086	0.9
117.07016	3.9
119.01930	8.9
119.04946	10.0
119.08587	50.4
120.08116	3.1
121.06532	2.2
121.10149	13.5
122.07267	1.0
123.04472	4.2
123.08077	34.1
123.10828	1.8
123.11709	29.1
129.07013	2.4
132.05716	2.8
133.02859	3.1
135.11696	1.1
136.07642	1.0
137.04942	0.9
137.05984	3.1
137.09622	13.4
137.12350	2.7
137.13261	6.5
142.03497	8.2
147.04417	25.1
147.08049	25.7
147.11703	15.7
160.04608	1.9
165.05492	2.4
165.09106	14.7
165.12761	100.0
166.50725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03933	0.4
55.01869	0.5
60.85358	0.3
65.03932	1.0
67.05496	0.9
68.78233	0.3
69.03424	0.5
70.82843	0.8
79.05494	0.8
81.03408	0.6
81.07076	0.7
82.90501	0.3
82.99838	0.8
91.05482	19.8
93.07039	0.3
95.04957	1.7
95.08598	0.7
98.21149	0.5
101.00883	6.1
105.03400	0.3
105.07043	0.7
107.08621	0.4
109.06572	0.5
109.10164	0.9
119.01932	9.9
119.04942	41.0
119.08583	1.4
119.93667	0.3
123.04432	2.4
123.08054	0.4
124.02435	1.4
133.02872	1.2
137.02992	1.6
137.05922	0.7
137.09650	0.8
138.09122	0.4
142.03500	10.9
147.04411	100.0
148.04738	0.6
160.04625	2.0
165.04369	0.4
165.05533	2.6
165.09134	1.3
165.12822	0.3
166.08601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03939	0.3
55.01865	0.4
55.05499	0.4
57.03421	0.3
65.03933	1.2
67.05508	2.0
69.03423	0.6
69.07066	0.3
69.69299	0.4
69.69706	0.9
71.05021	0.2
79.05489	1.1
81.03413	0.8
81.07063	1.0
82.99850	0.3
83.04984	0.3
91.05482	19.4
93.07041	0.9
94.04871	0.2
95.04977	2.7
95.08598	1.1
97.53493	0.2
101.00893	1.6
103.05463	0.5
105.07043	1.4
107.04964	1.7
107.08612	0.6
109.02888	0.6
109.06519	0.9
109.10149	1.7
117.07009	0.4
119.01945	2.3
119.04946	41.3
119.08577	3.5
120.05253	0.3
120.08091	0.3
121.06510	0.4
121.10135	0.5
123.04435	5.3
123.08073	0.7
123.11726	0.3
124.02432	0.4
133.02872	0.4
133.06479	0.3
137.02985	0.3
137.05997	1.2
137.07822	0.2
137.09613	2.1
142.03485	2.4
147.04414	100.0
147.11670	0.7
148.04749	0.6
160.04590	0.5
165.05470	2.9
165.07852	0.3
165.09122	1.9
165.12769	0.7
183.98434	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23682	0.7
57.40460	0.6
71.04729	0.8
71.05054	0.8
75.93334	0.5
82.01449	0.8
82.99836	11.0
100.02485	1.5
101.00882	76.4
102.00950	1.2
111.00413	0.9
114.31972	0.7
119.01920	96.3
124.02450	17.0
137.02962	10.8
138.92395	0.6
142.03499	100.0
143.03621	1.5
160.04565	15.1
165.05099	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03943	0.5
55.01885	0.6
55.05511	0.4
57.03444	0.4
65.03947	1.0
67.05514	2.4
69.03441	0.6
69.07088	0.3
71.05006	0.6
71.54849	0.4
74.32494	0.3
79.05497	1.7
81.03413	1.7
81.07060	2.3
83.04980	0.8
85.02908	0.5
91.05487	23.9
93.07049	2.0
95.04973	3.2
95.08616	1.6
96.08172	0.3
101.00896	4.7
103.05484	0.4
105.03423	0.6
105.07047	1.9
107.04961	0.4
107.08591	0.8
107.24981	0.2
109.02855	0.6
109.06532	1.6
109.10153	1.9
117.07054	0.3
119.01941	9.1
119.04952	43.3
119.08587	4.3
120.08083	0.5
121.06515	0.5
121.10159	0.8
123.04440	5.4
123.08067	1.1
124.02470	1.1
133.02850	1.2
134.08722	0.3
137.03009	1.9
137.05984	1.7
137.09608	2.3
142.03516	8.8
147.04419	100.0
147.08047	1.5
147.11687	0.8
148.04747	0.8
160.04578	1.8
165.05513	4.7
165.09134	4.1
165.10475	0.3
165.12801	1.0
166.08601	0.4
173.36386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03945	1.5
55.05515	5.2
57.07068	1.3
60.08177	0.5
63.92785	0.4
65.03923	0.5
67.05511	3.0
68.99791	0.5
69.03435	1.0
69.07072	17.1
71.19128	0.9
72.95171	0.5
77.03896	0.7
79.05498	13.5
79.61185	0.4
81.07063	19.9
83.08626	4.1
85.02911	0.6
89.03926	1.0
91.05485	10.1
93.07050	33.0
95.04973	2.0
95.08614	18.4
95.09243	0.6
99.04504	0.7
103.03988	0.6
103.05479	20.0
105.04554	0.6
105.07034	6.6
106.06553	0.5
107.04980	2.7
107.08602	100.0
108.08858	0.8
109.06518	1.9
109.10158	1.4
115.05432	0.9
116.10555	0.5
117.03389	0.7
117.05712	0.4
117.07040	2.0
119.06087	1.1
119.08614	3.5
121.06521	1.8
121.10154	33.5
127.03909	0.7
130.06544	0.6
130.07779	0.8
131.04939	23.2
133.02844	1.3
133.10132	0.6
135.04436	3.8
135.08041	1.7
135.11710	14.2
145.02863	0.8
145.06491	1.6
145.10155	2.9
148.08844	0.6
159.82983	0.4
163.03908	11.1
163.07547	7.5
163.11197	12.1
163.14832	52.3
164.15176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03940	0.6
55.01865	0.6
55.05498	0.8
55.44152	0.3
56.87957	0.4
57.07048	0.4
66.87967	0.3
67.05502	1.0
69.03425	0.7
69.07072	2.2
69.31927	2.8
74.88473	0.3
79.05497	4.6
79.34924	0.3
81.07047	1.5
82.08657	0.3
85.02900	0.5
91.05475	2.7
93.07049	4.6
95.04980	0.9
95.08596	0.7
103.05469	3.6
105.07027	2.5
107.04958	4.6
107.08598	5.9
108.01785	0.4
117.07022	4.1
119.08604	2.0
121.06514	2.4
121.10155	3.0
121.56355	0.4
122.53692	0.4
127.63523	0.4
130.07774	0.9
131.04913	4.2
133.02780	0.4
133.06462	2.0
135.04379	0.5
135.08090	1.7
135.11713	2.4
143.08539	0.7
145.06520	0.4
145.10115	7.8
147.08028	2.1
148.08833	9.6
155.56989	0.4
163.03934	3.4
163.07590	1.6
163.11183	100.0
163.14804	1.8
164.11517	0.9
175.08800	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12447	1.4
50.38263	1.3
53.03958	6.8
54.03473	9.6
55.05504	6.2
57.07085	1.7
58.87125	1.3
67.05503	2.6
69.07069	24.9
71.54827	1.7
72.27898	1.3
79.05503	23.1
79.68401	1.3
81.04536	8.1
81.07062	39.6
82.05350	7.5
83.08611	6.0
85.02892	2.6
91.05495	10.1
92.02641	1.4
93.07053	41.4
95.04971	6.3
95.08621	17.1
103.05465	4.5
105.03392	3.9
105.04503	2.4
105.07041	9.5
106.06565	2.5
107.04980	3.3
107.08604	100.0
109.06499	1.7
117.05792	2.7
117.07017	1.4
119.06060	2.4
119.08582	3.9
121.10159	39.7
122.07175	6.6
123.07971	3.6
130.06516	6.9
131.04924	5.6
132.08130	8.3
133.02872	17.8
135.04449	11.9
135.08105	1.7
135.09286	1.4
135.11703	13.2
163.03912	75.5
163.07497	3.4
163.09789	2.7
163.11255	5.5
163.12335	7.7
163.14838	48.8
183.62785	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03949	6.8
54.03460	4.9
55.05516	7.3
55.06074	1.1
57.07066	2.7
67.05477	3.8
69.03437	1.5
69.06721	2.1
69.07073	28.1
71.55659	2.3
79.05492	24.4
81.03420	1.5
81.04536	5.0
81.07060	40.6
82.05310	4.4
83.08640	5.9
84.93594	1.4
91.05489	12.9
92.02592	1.5
93.06482	2.2
93.07047	37.7
93.07629	1.9
95.04974	7.1
95.08610	14.5
97.16700	1.2
103.05467	2.1
105.03402	4.5
105.04517	2.0
105.07033	10.2
106.06578	3.0
107.04939	2.1
107.08601	100.0
109.06494	1.7
109.10152	1.9
117.05743	2.3
119.06074	2.1
119.08601	3.4
121.10149	43.3
122.07183	3.0
123.07938	4.2
127.71664	1.2
130.06566	5.9
131.04944	4.4
132.08076	8.3
133.02869	15.5
135.04410	15.0
135.11708	16.7
145.10146	1.5
163.03922	70.3
163.07535	3.0
163.09927	2.6
163.11253	6.3
163.12343	7.4
163.14827	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.16322	0.9
53.03939	2.7
55.05516	5.3
57.03423	1.1
57.07069	1.4
58.89341	0.9
65.03967	1.1
66.35723	1.0
66.41390	0.9
69.03419	3.0
69.07063	2.0
69.54007	3.2
69.54418	2.6
77.03912	1.2
79.05496	11.6
81.07043	1.3
85.02869	0.8
89.03919	17.5
91.05486	20.7
93.07045	42.4
95.04970	3.6
95.08620	1.4
98.20750	1.8
103.05467	17.7
105.07028	13.7
107.04951	6.3
107.08598	86.5
109.06493	2.4
117.03384	20.1
117.06977	1.9
119.06049	2.4
119.08585	8.6
120.09378	1.8
121.06493	1.6
121.09300	1.8
121.10137	13.9
131.04933	24.0
135.04424	33.0
135.11696	100.0
145.02858	14.7
145.10120	5.4
147.09164	1.2
163.03912	40.7
163.07542	6.0
163.11183	16.5
163.14888	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02380	0.5
53.03946	3.3
55.01873	1.2
55.05530	0.8
57.03429	1.1
57.07074	1.4
63.02391	0.9
67.05510	1.2
69.03437	2.7
69.07079	0.6
71.38993	1.2
73.02917	0.8
77.03928	1.5
79.05497	7.9
81.03436	2.1
81.07060	2.2
83.08638	0.6
84.08113	0.8
85.02905	6.6
89.03921	29.4
91.05494	2.7
93.07040	4.2
95.04979	2.3
95.08610	1.4
97.02898	1.5
99.04456	6.6
103.03992	7.5
103.05471	71.3
105.03397	0.8
105.04494	0.8
105.07024	2.3
107.04949	9.6
107.08598	5.4
109.02895	0.8
113.27559	0.7
115.05441	0.8
117.03381	30.7
117.07018	3.3
117.70955	0.6
119.04896	0.9
119.08611	1.8
120.08060	1.0
121.06506	2.3
121.08459	4.5
121.10139	2.0
127.03918	5.6
130.06563	1.6
130.07755	0.9
131.04930	100.0
132.08058	1.3
133.02881	1.7
135.04420	50.2
135.08022	3.3
135.11702	2.0
137.94246	0.7
145.02850	26.8
145.03864	1.2
145.06451	1.2
145.10106	3.6
163.03906	67.4
163.07542	53.5
163.09680	1.0
163.11208	6.5
163.12331	1.4
163.14835	0.8
164.04285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.52408	0.6
53.03944	2.8
55.01865	2.7
55.05508	5.8
57.03431	2.3
57.07072	1.0
61.02901	0.8
67.05498	4.6
69.03431	8.3
69.07069	2.0
71.04988	2.2
71.55022	0.9
73.02937	0.8
77.03946	1.8
79.05497	10.3
81.03404	1.8
81.07078	2.9
83.05000	3.2
83.08614	2.4
85.02896	5.1
89.03917	13.4
89.06041	1.0
91.05479	9.4
93.07039	13.9
95.04967	3.0
95.08604	1.5
97.02967	0.8
99.04456	5.1
103.04009	5.0
103.05469	74.5
105.03378	0.8
105.04509	1.1
105.07033	14.9
106.06578	0.8
107.04954	8.3
107.08594	19.3
109.02877	1.0
109.06544	1.2
109.10168	3.1
115.05464	2.2
117.03378	11.3
117.07020	9.0
119.04973	1.1
119.05875	0.7
119.08588	7.3
120.09357	0.8
120.11949	0.6
121.06521	6.2
121.10133	10.3
123.08079	1.3
127.03935	3.0
127.11179	1.1
128.06207	0.8
129.07054	0.7
130.06552	1.0
130.07799	4.3
131.04929	100.0
132.05292	0.8
132.08093	2.0
133.02861	2.4
133.06490	0.9
133.10127	1.2
135.04425	25.0
135.08054	10.5
135.11693	12.5
136.07581	0.7
143.08568	1.2
145.02832	10.2
145.03902	0.7
145.06502	1.8
145.10127	18.2
148.05197	0.7
163.03911	39.2
163.07544	45.7
163.11171	44.9
163.14783	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.7
55.01860	4.6
55.05498	3.4
57.03436	1.8
57.07066	2.7
57.57180	1.2
61.02921	2.3
65.03959	2.3
67.05500	3.6
67.96843	1.1
68.16438	1.0
69.03441	5.5
69.07061	5.0
70.82677	2.2
70.82990	1.1
71.04981	3.6
77.03943	1.7
79.05497	18.6
81.03418	10.4
81.07038	5.1
83.08581	1.7
84.08114	1.2
84.54375	1.1
85.02905	26.3
89.03918	31.6
89.06036	2.5
91.05476	13.8
91.06020	1.7
93.07040	12.1
95.04961	4.7
95.08602	6.2
97.02850	1.2
99.03838	2.3
99.04460	34.0
103.03948	44.3
103.05466	61.3
105.03423	2.6
105.04505	2.4
105.07020	8.2
107.04297	1.4
107.04964	15.9
107.08599	26.8
109.02873	5.3
109.10169	1.4
115.05468	4.3
115.17410	1.2
117.03377	32.5
117.07012	14.0
118.11272	1.4
119.04935	1.3
119.06057	1.1
119.08602	4.4
121.02860	5.1
121.06501	3.9
121.10122	10.6
127.03922	28.6
130.06522	1.4
131.04930	83.2
132.08095	4.4
133.02853	4.9
135.04422	64.1
135.08051	10.6
135.11717	4.5
136.07579	2.6
142.81085	1.4
142.97455	1.3
143.08595	1.2
145.02859	30.2
145.03993	2.6
145.06488	4.3
145.10136	5.6
147.08128	1.4
163.03912	100.0
163.07539	37.3
163.11189	14.5
163.12404	3.2
163.14822	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02384	0.8
53.03956	3.3
55.01885	0.4
56.96558	0.6
57.07075	1.0
60.08160	0.4
67.05487	0.5
68.84564	0.4
69.03441	0.8
69.41109	3.1
75.27574	0.4
77.03938	1.2
79.05495	2.5
80.32066	0.4
81.03422	0.7
81.07063	0.7
82.05318	0.5
85.02913	0.8
88.15073	0.4
89.03931	0.6
89.06049	0.4
90.67835	0.4
91.05483	1.4
92.02637	1.0
93.07043	1.2
95.04978	4.5
103.05475	85.2
104.04300	0.6
104.05828	0.6
105.03426	2.1
105.04514	1.4
105.07037	0.6
106.06566	0.9
107.04974	2.0
107.08597	2.8
117.03327	0.4
117.05755	1.1
117.07034	0.7
119.04955	0.5
120.08150	0.5
121.06469	0.8
121.10207	1.9
130.06572	2.2
131.04936	100.0
132.05263	1.2
132.08096	2.7
133.02856	8.8
133.03816	0.6
135.04422	9.7
135.11649	0.7
136.16867	0.4
145.06499	0.4
145.10127	0.9
161.87236	0.4
163.03923	42.1
163.07547	14.7
163.09924	0.6
163.11079	3.3
163.12332	1.8
163.14806	1.7
164.04266	0.6
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	Unknow
Peak:m/z	Relative Intensity
53.03951	4.9
53.62643	0.8
55.01865	2.4
55.05501	3.4
56.81974	0.9
57.07059	1.7
59.47826	1.0
61.02921	1.3
64.54984	0.7
67.05486	2.3
69.03436	5.1
69.07069	4.1
71.04978	3.5
71.55433	1.6
73.02921	1.0
77.03932	1.6
79.05491	12.3
81.03419	7.6
81.07046	5.1
83.04957	0.9
83.08616	1.8
85.02908	17.1
89.03920	4.3
89.06032	1.5
90.87508	0.9
91.05473	8.6
93.07045	16.0
95.04987	5.3
95.08592	3.6
97.02885	0.9
99.04454	28.6
103.03951	40.9
103.05463	75.0
105.03386	1.8
105.07027	8.3
107.04963	9.4
107.07873	1.6
107.08595	26.8
109.02875	2.9
115.05463	3.1
117.03384	3.4
117.06998	7.7
119.04965	1.9
119.08584	4.8
121.06495	3.7
121.09325	1.3
121.10146	13.4
127.03920	23.1
130.06580	2.0
130.07776	1.8
131.04927	100.0
132.08081	2.8
133.02858	3.1
135.04414	15.0
135.08075	6.2
135.11699	7.9
145.02821	3.0
145.03874	1.1
145.06476	2.6
145.10117	6.0
148.05208	1.4
150.71945	0.9
163.03908	40.9
163.07538	25.9
163.11166	26.7
163.12331	2.2
163.14810	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	163.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
55.01858	2.6
55.05519	1.5
55.73235	0.6
56.96555	1.1
57.03416	1.9
57.07069	1.6
58.99570	0.9
61.02914	1.2
62.59178	0.6
63.02359	1.0
63.45306	0.6
65.03922	1.0
67.05493	2.0
69.03426	3.9
69.07047	2.0
69.51614	1.5
69.52017	4.1
71.04979	2.2
73.02905	1.4
77.03921	1.1
79.05070	0.9
79.05498	13.4
81.03414	7.0
81.07053	4.0
83.04984	0.9
83.08589	1.0
85.02435	0.9
85.02908	14.4
89.03916	37.3
89.06027	0.6
91.05478	9.0
92.02598	0.7
93.03381	0.7
93.07039	9.2
95.04967	5.5
95.08609	1.5
97.02868	1.2
98.97600	0.8
99.03843	1.2
99.04459	22.5
101.02370	0.6
103.03949	27.5
103.05461	42.8
105.03382	1.5
105.04495	1.3
105.07028	6.2
106.06544	1.5
107.04953	15.9
107.08595	13.4
109.02876	2.6
109.06519	1.1
109.10170	0.9
115.05438	2.7
117.03380	36.0
117.05663	1.0
117.06998	7.8
119.01777	0.8
119.04945	1.8
119.08552	2.1
121.06496	2.7
121.10143	5.1
127.03912	17.1
130.06532	2.7
130.07761	1.6
131.04924	55.2
132.08121	3.6
133.02823	4.6
135.04416	71.6
135.08037	7.4
135.09030	1.0
135.11665	3.6
136.07597	1.2
141.11400	0.7
145.02850	30.9
145.03905	1.7
145.06520	2.5
145.10097	5.7
148.05200	0.9
152.51646	0.6
163.03902	100.0
163.07532	21.2
163.08705	1.4
163.11180	12.7
163.12335	2.4
163.14828	5.1
164.07057	2.1
181.02924	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03957	3.2
55.01879	1.3
55.05515	1.4
57.03448	1.2
57.07074	1.2
61.02945	0.6
63.02374	0.9
65.03949	0.6
67.05500	2.0
69.03425	3.9
69.07063	0.8
69.91486	0.6
71.05001	1.4
77.03921	1.2
79.05493	10.5
81.03427	2.2
81.07056	1.9
82.46220	0.5
85.02899	5.2
88.61414	0.6
89.03921	53.2
89.06048	1.0
91.05489	5.0
93.07041	4.2
94.15450	0.7
95.04977	3.1
95.08635	0.6
97.02950	0.7
99.04452	6.3
103.03965	8.5
103.05472	48.5
105.04517	1.6
105.07056	4.9
106.06486	0.8
107.04952	14.1
107.08598	7.1
109.02802	0.9
109.06558	0.7
109.10191	1.5
111.95111	0.6
117.03387	50.4
117.07026	4.6
118.03802	0.6
119.05005	0.8
119.08566	3.0
121.06455	2.9
121.10136	3.5
122.47070	0.6
127.03905	4.7
130.06610	1.3
130.07793	2.3
131.04935	64.7
132.05275	0.7
132.08080	1.0
133.02866	1.6
135.04422	85.2
135.08035	4.7
135.11697	4.1
145.02853	42.9
145.06493	1.4
145.10104	7.1
157.82164	0.6
163.03914	100.0
163.07533	19.8
163.11172	13.3
163.12314	0.7
163.14835	1.6
174.28943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03947	0.3
55.05507	5.0
67.05490	0.5
69.07056	1.2
71.03542	0.5
71.03876	0.4
72.70634	0.3
72.78352	0.3
79.05488	1.1
81.07051	1.1
91.05484	6.4
93.07051	1.0
103.05469	0.7
104.06241	0.4
105.07030	13.3
107.08599	0.9
113.79211	0.3
115.05450	1.0
117.07037	2.6
119.08580	100.0
120.08891	0.6
121.10149	2.1
131.08571	1.2
133.06467	1.0
133.10132	15.0
143.08496	0.4
145.10077	0.5
146.10872	0.9
159.11734	0.6
161.05980	1.0
161.09671	1.8
161.13257	17.9
168.88200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0762
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
52.49328	0.5
54.94743	0.6
55.05513	1.3
56.05037	17.0
56.96563	2.1
57.03434	1.7
60.08159	3.9
61.02933	0.9
64.62511	0.5
65.81808	0.7
69.03444	1.1
69.49232	2.9
69.49644	1.5
73.02921	1.7
74.06090	1.4
77.59946	0.6
81.06642	0.6
81.07064	2.6
82.06584	2.6
83.08617	3.8
84.04506	100.0
84.08132	0.6
85.02901	5.2
85.06551	1.0
90.70013	0.7
97.02922	1.0
98.06066	2.9
98.97585	2.8
99.04478	1.6
99.08109	1.1
100.07621	65.2
101.00856	0.7
101.07944	0.7
102.05542	2.8
102.09206	2.7
103.03938	7.2
110.01284	1.6
116.07097	43.7
119.01840	2.5
119.05539	0.6
120.06627	0.8
126.09169	2.8
127.03898	1.0
127.07552	0.5
128.02336	1.1
130.05008	18.2
131.01941	0.7
140.00151	0.7
144.06564	5.0
144.10208	1.4
145.04971	5.6
145.07312	0.9
161.06888	0.6
162.07626	78.9
162.11263	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	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
55.01876	0.9
55.05509	4.8
60.08165	1.4
67.05481	2.3
69.07072	8.8
71.54972	1.0
79.05489	4.0
81.03370	0.9
81.07056	6.2
83.40836	0.9
88.02225	1.8
91.05479	13.8
93.07054	3.6
97.06512	1.3
98.27623	0.9
101.07946	1.0
103.03915	3.2
103.05465	1.7
103.86158	1.0
105.03416	1.0
105.07040	80.3
107.08608	2.8
108.45982	0.8
115.09461	0.9
117.07038	4.3
119.08589	94.5
124.98393	0.9
131.08578	3.5
133.06488	4.0
133.10132	28.0
143.08636	1.5
146.10942	2.2
159.11705	2.7
161.05963	4.0
161.07172	2.1
161.09666	8.0
161.13271	100.0
162.11244	6.8
162.13618	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1174
Annotation	8-Hydroxyoctanoic acid
Peak:m/z	Relative Intensity
53.03942	1.2
55.01868	2.7
55.05513	34.4
56.96565	1.7
57.07093	1.7
59.02788	0.9
59.05004	6.8
63.22840	0.9
67.05510	2.0
69.03432	6.3
69.07080	5.7
69.36472	0.9
69.53715	6.4
72.08131	1.2
79.05503	4.4
80.14074	0.8
81.07065	8.3
83.04986	1.8
83.08624	100.0
85.06582	1.2
91.05495	6.6
93.07059	3.7
96.01574	2.1
97.10178	30.6
98.20748	1.6
99.08103	6.0
101.06042	3.1
101.09673	3.1
103.03926	1.0
103.05460	3.2
105.07038	36.4
107.08593	3.0
113.02378	1.3
115.05463	4.3
117.07027	2.0
118.04169	2.3
119.08581	18.1
125.09648	3.9
128.06224	1.2
133.06505	13.2
133.10124	11.1
143.08574	2.3
143.10684	19.3
161.05998	9.5
161.09618	12.1
161.13243	17.4
182.08669	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68957	0.2
56.96561	0.8
69.79796	0.5
69.80204	0.7
71.95260	0.2
82.99847	5.4
83.05000	0.3
83.99929	0.5
85.01408	0.5
90.60767	0.2
97.33002	0.2
98.20831	0.4
98.21428	0.4
98.97586	5.3
100.02522	0.3
100.97174	0.7
101.00884	46.0
101.95029	0.7
101.97183	0.4
102.00937	1.9
102.96890	1.2
103.02451	0.5
107.05254	0.9
107.55327	0.4
111.00398	0.4
111.04455	0.7
115.97069	0.3
116.05775	1.6
116.98634	1.9
117.60623	0.2
119.01923	100.0
120.02013	3.5
120.97914	0.2
124.02447	0.5
124.97574	0.6
125.02608	0.4
127.47860	0.8
127.56554	0.3
129.04779	0.4
133.98105	0.4
134.99649	0.4
136.48369	1.4
137.02957	17.8
137.48248	0.7
138.03090	0.4
142.03484	1.6
143.01898	0.5
143.03636	4.2
144.03285	0.4
145.48897	0.9
146.48729	0.6
152.85458	0.2
154.49379	0.3
161.02963	7.8
161.04633	0.8
174.35031	0.2
179.04015	7.6
179.05602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.081
Annotation	2,2-DIMETHYLGLUTARIC ACID
Peak:m/z	Relative Intensity
55.01855	2.0
55.05496	4.1
56.31460	1.8
56.96566	3.8
57.03434	4.2
67.05516	2.1
68.12434	2.0
69.07071	56.0
69.38998	12.8
73.06561	34.1
79.05495	12.9
83.04987	4.4
85.02889	6.5
97.06537	100.0
98.97584	8.3
101.00875	3.9
101.06005	2.7
101.94994	3.2
103.03949	13.4
105.07110	2.6
107.78801	2.0
110.01204	2.0
115.07549	3.7
119.01952	4.0
119.56946	2.1
122.58993	2.2
125.06001	86.3
127.01526	4.2
128.02359	2.8
131.03543	2.1
142.11937	2.1
158.99652	3.0
161.04639	2.2
161.08144	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.31889	0.4
55.05503	1.6
56.69722	0.3
59.19678	0.4
67.05221	0.4
67.05509	4.0
69.07062	1.1
69.53197	2.4
70.06573	0.4
71.04986	1.6
76.93360	0.5
79.05469	0.6
81.07057	4.1
81.18005	0.3
83.04961	1.0
83.08620	1.0
85.06548	0.6
87.04427	0.4
91.05480	4.4
93.07027	0.6
95.08057	0.5
95.08616	6.3
97.06541	0.7
98.97601	0.6
99.04449	0.4
99.08099	1.5
105.07038	16.4
110.52055	0.4
113.02351	0.9
113.09668	0.8
115.05454	1.7
116.06231	1.2
117.07023	12.8
117.95982	0.8
119.08582	6.4
123.08060	2.2
123.11676	0.5
128.06183	1.1
129.07008	8.9
130.07816	4.5
131.08578	27.1
141.01845	3.4
141.09108	2.1
142.07773	1.2
143.08598	1.1
144.09354	19.7
145.09676	0.4
150.38104	0.4
157.10136	4.1
159.08084	1.5
159.11702	100.0
160.12022	1.5
168.71240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
56.96533	0.6
67.05502	3.0
70.06586	0.7
70.17109	0.6
76.93367	2.6
79.05489	1.1
79.31303	0.6
81.07047	1.0
91.05479	12.4
92.51948	0.6
93.07074	0.9
103.05444	0.8
105.06313	0.9
105.07030	14.5
113.02364	1.7
115.05449	4.3
115.21436	0.5
116.06216	1.8
117.07018	25.8
117.95984	2.5
119.08578	6.8
128.06239	1.0
129.07004	12.7
130.07777	14.6
131.08568	66.7
132.08913	0.8
137.07062	0.6
141.01828	6.4
142.07797	1.5
143.08623	0.6
144.09343	16.1
157.10130	3.0
159.08063	1.8
159.11691	100.0
160.12090	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
53.23788	0.3
54.03477	0.4
55.05513	2.1
56.96554	1.2
58.06585	0.6
58.99581	0.5
59.93092	0.9
60.74049	0.4
65.03933	0.3
68.05010	0.5
69.03405	1.2
69.07070	0.8
69.76663	0.9
69.77069	1.0
70.06580	1.3
72.04507	0.4
72.08153	4.2
73.01109	0.3
77.94153	0.5
79.05508	0.5
80.05004	0.6
81.05799	3.3
81.07046	0.6
82.06567	2.5
82.07355	0.5
83.04980	0.6
83.08617	4.1
84.08105	0.3
86.06023	0.5
87.02692	0.4
87.04443	0.6
91.05465	0.4
96.04462	0.5
96.08170	0.5
96.08947	1.6
97.10180	2.9
97.76884	0.3
98.06050	0.4
98.09690	3.6
98.21424	0.4
98.97578	1.3
99.01381	0.3
99.02695	0.6
100.07616	8.0
100.08345	0.6
100.98022	0.3
101.00838	0.6
105.07018	0.7
113.96407	0.5
114.03745	4.6
114.05499	1.3
114.09193	3.5
115.02164	2.8
115.05444	0.7
116.03043	0.5
116.98612	0.7
117.03696	1.6
118.06528	1.2
118.96131	0.4
118.96787	3.6
119.01913	2.3
124.07609	0.3
124.08406	0.9
125.05953	0.6
125.09640	1.1
128.01607	0.4
129.02449	22.3
130.03220	1.0
130.06540	0.3
132.08058	1.9
133.08435	0.7
137.02950	0.8
142.02153	0.8
142.03241	10.3
142.08647	1.5
142.12288	1.0
143.10690	1.2
154.96458	1.6
159.28500	0.4
160.04277	100.0
160.07350	3.3
160.09648	7.0
160.13326	0.7
161.04669	0.4
161.05963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1016
Annotation	2-n-Propyl-4-oxopentanoic acid
Peak:m/z	Relative Intensity
52.49459	0.5
53.40092	0.5
55.05515	5.3
57.03434	0.8
67.05507	19.7
67.47108	0.5
69.07059	2.3
69.98215	2.5
71.04992	1.0
75.80690	0.5
79.05490	2.2
81.07060	16.7
83.04994	1.3
83.08621	1.4
85.02928	0.6
85.06532	0.7
85.10193	1.3
93.07037	3.5
95.08608	100.0
97.06506	3.7
97.10180	1.1
99.08096	29.2
105.07046	0.9
113.09645	13.3
117.95942	0.9
123.08072	37.9
131.08575	1.1
141.01797	0.6
141.09105	31.8
150.67920	0.5
159.08081	0.7
159.10204	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	158.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98643	0.2
56.96572	7.7
63.35249	0.2
70.77950	0.6
71.95273	1.8
85.14824	0.3
87.50076	0.4
88.00196	0.2
88.78610	0.2
89.51406	0.2
97.31539	0.2
98.97591	100.0
116.98630	35.3
132.96481	0.3
134.99673	7.8
140.00259	1.3
141.96977	0.3
146.52728	0.3
153.00745	0.7
158.01288	0.6
164.09845	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23205	0.5
53.03933	0.6
55.05513	6.3
57.03432	1.1
65.03951	0.7
67.05509	21.6
69.07073	3.7
70.03628	1.6
71.04994	1.4
76.93370	1.2
79.05501	2.2
81.06586	0.9
81.07063	17.0
83.04978	2.1
83.08614	2.3
85.02926	1.2
91.05497	1.5
93.07043	4.8
95.08615	100.0
97.06548	5.2
97.10182	0.8
98.97617	1.5
99.04453	1.3
99.08105	32.2
105.07063	1.2
108.36568	0.6
111.04452	0.5
111.30253	0.5
113.02391	1.0
113.06056	1.0
113.09656	12.9
116.98643	0.7
117.95992	1.6
123.08082	38.0
129.09148	0.6
131.04968	0.6
131.08597	1.8
141.01845	3.2
141.09114	29.6
159.08121	1.8
159.10175	2.8
159.11691	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.086
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
51.65935	0.6
53.03947	3.8
55.01864	1.3
55.05513	33.6
56.29076	0.7
57.03416	0.6
61.25576	0.6
67.05513	4.1
69.03443	1.5
69.07071	4.5
69.97945	2.4
71.05003	1.7
74.93832	2.7
77.03926	0.9
79.05492	3.7
81.07069	1.3
82.77199	0.7
83.08621	100.0
87.08133	1.1
91.05488	8.5
91.90521	0.6
93.07046	43.2
95.04974	3.3
95.08614	2.8
97.02903	2.7
97.06528	10.1
100.56982	0.6
105.04498	0.9
111.04453	1.3
111.08083	30.9
115.96434	2.6
121.06503	4.8
130.06519	6.9
139.07550	7.4
139.11185	0.9
146.47218	0.7
153.36852	0.6
157.07593	1.4
157.08641	14.0
157.09966	0.8
158.77151	0.6
169.92639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01863	2.6
55.05514	37.3
57.03430	1.9
67.05512	4.7
67.42121	0.6
69.03433	3.0
69.07070	4.8
69.68163	1.8
69.68589	2.1
71.04992	2.1
73.02913	0.7
73.43011	0.7
74.93848	3.0
77.03918	0.6
79.05495	4.1
81.07051	2.1
83.04980	1.9
83.08622	100.0
85.06567	1.0
87.08098	1.0
91.05489	9.7
93.07047	44.5
95.04971	4.8
95.08615	2.0
97.02896	2.1
97.06540	11.3
105.04542	0.7
109.06529	1.1
109.42809	0.6
110.36269	0.7
111.04478	0.9
111.08085	38.1
115.96430	4.4
118.20181	0.6
121.06509	4.5
130.06546	6.2
133.97487	0.6
139.07527	11.8
139.11147	0.6
142.07785	0.9
156.37079	0.6
157.06564	1.0
157.07590	1.6
157.08647	14.3
157.10002	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01861	1.5
55.05309	0.5
55.05516	6.0
55.29432	0.4
56.96553	0.7
57.03444	11.5
57.07075	1.0
57.72669	0.4
60.81498	0.5
67.05513	3.8
69.03440	0.6
69.07071	6.6
70.70100	1.0
70.70441	0.5
71.04990	3.8
79.05498	6.2
81.03413	0.8
81.07063	14.8
83.04985	1.7
83.08619	5.5
85.06547	18.8
89.28606	0.4
91.05485	4.2
93.07048	23.6
95.04983	2.7
95.08610	1.7
97.06535	100.0
98.97609	2.5
99.04456	2.0
101.49330	0.4
109.06535	7.7
111.08085	18.7
113.05988	1.2
115.27889	0.5
116.98630	0.9
121.06542	3.2
125.02431	0.7
127.07565	12.6
128.26259	0.6
139.07545	13.1
156.64058	0.5
157.08611	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	156.0422
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
56.96565	1.4
70.06586	1.5
70.22314	5.1
70.22665	1.7
74.09724	12.4
82.31615	1.2
96.96897	3.4
103.78059	1.2
110.07162	1.5
112.05247	9.9
130.06319	16.9
156.04222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0861
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
53.03944	1.8
55.01862	1.6
55.05516	6.6
56.96573	0.8
57.03439	10.8
57.07088	0.7
67.05504	4.3
69.03432	0.8
69.07069	5.9
70.23534	1.0
71.05002	3.8
74.93840	0.7
79.05499	6.3
81.03435	0.8
81.07063	13.8
83.04976	1.8
83.08607	5.0
85.06544	20.6
91.05479	4.5
93.07044	25.5
95.04971	2.0
95.08604	1.4
97.06534	100.0
98.21014	1.3
98.97590	3.4
99.04460	2.1
105.04543	0.8
109.06522	8.2
110.31568	0.5
111.04456	0.6
111.08085	17.9
113.06013	1.3
115.96489	0.6
116.98617	1.4
121.06505	3.1
127.07561	12.9
127.08472	0.8
128.07925	0.6
139.07550	14.7
139.90721	0.6
146.87607	0.6
157.08598	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	155.1431
Annotation	Ipsenol
Peak:m/z	Relative Intensity
55.05514	4.3
57.03445	3.5
57.07079	100.0
58.88762	0.5
59.04994	1.0
66.33980	0.6
67.05498	4.9
69.07079	2.5
70.95869	1.4
71.05003	1.5
72.93793	17.9
72.94199	1.0
79.05511	1.7
81.07063	8.9
83.05001	1.2
83.08636	1.5
85.06541	14.9
90.04527	0.6
90.94836	3.3
95.04998	1.5
95.08618	7.2
97.10211	0.8
99.04485	0.5
99.08126	0.7
100.49171	0.6
109.06525	1.8
109.10172	4.0
111.04486	0.7
111.08106	0.8
111.98521	0.7
113.06013	0.7
113.96406	15.1
113.97158	1.0
123.04462	0.7
123.08712	0.5
131.97435	4.8
132.95804	2.9
134.18791	0.6
137.05956	1.2
137.13304	2.2
150.96931	2.1
155.03452	0.7
155.07097	1.9
155.08517	0.5
155.10699	0.8
155.14299	7.9
155.15367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan
Peak:m/z	Relative Intensity
55.01868	1.2
55.05501	3.5
57.03425	2.5
57.07080	100.0
64.04431	1.0
67.05228	1.1
67.05517	9.9
69.07062	2.9
70.95866	2.8
71.04982	1.8
71.55600	1.5
72.93796	49.3
81.07070	8.6
83.04985	1.4
85.06554	18.3
87.46170	1.1
90.94842	11.1
91.05484	1.8
93.07033	1.5
95.04971	4.5
95.08620	8.0
99.04478	1.2
99.08129	0.9
104.72960	1.0
107.08630	1.1
109.06524	4.0
109.10165	9.2
111.04432	2.3
111.98518	2.4
113.02378	1.0
113.06001	1.9
113.96408	36.5
119.08577	1.1
123.04463	1.9
127.03918	1.6
127.07557	1.9
127.92406	1.0
131.97452	11.2
132.95792	5.9
137.06044	1.0
137.09634	3.4
140.04697	1.0
150.96889	5.3
151.21368	0.9
155.03319	1.8
155.07021	5.8
155.08374	1.8
155.14322	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	155.1432
Annotation	Grandisol
Peak:m/z	Relative Intensity
51.45293	0.6
53.03953	2.1
55.01888	0.7
55.05515	8.2
56.96586	0.8
57.03448	4.1
57.07079	100.0
59.05010	1.6
65.03958	1.5
67.05512	17.3
69.03427	1.1
69.07068	7.2
69.07365	0.7
69.17099	5.6
69.17495	1.0
70.95886	3.2
71.05006	5.0
71.08652	2.5
72.93793	36.2
73.06551	1.4
79.05498	3.7
81.07064	27.7
82.42320	0.7
83.05005	2.1
83.08634	3.1
85.02905	1.2
85.06549	42.7
86.09727	3.3
87.54487	0.6
90.94824	7.6
91.05510	2.2
93.07072	2.5
95.04974	14.4
95.08614	20.1
97.06562	1.1
97.10194	2.2
99.04490	1.0
99.08107	4.5
105.04528	0.7
107.08588	0.7
109.06528	5.2
109.10165	12.0
110.97652	1.1
111.04490	2.3
111.08131	0.7
111.98530	1.8
113.02357	0.7
113.06024	1.8
113.96411	32.4
123.04456	8.5
125.02375	1.4
127.03951	1.4
127.07538	1.2
131.97458	11.3
132.95844	4.7
137.05984	1.8
137.09613	3.4
137.13260	6.2
140.04681	7.9
140.05563	0.8
149.97174	0.8
150.96902	4.3
155.03450	1.6
155.07094	9.6
155.08598	2.4
155.10741	1.9
155.14330	12.7
155.15492	0.8
155.97513	0.8
156.09341	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	(+)-2,6-Dimethyloct-7-en-4-one
Peak:m/z	Relative Intensity
53.18426	0.5
55.01874	0.8
55.05503	3.9
55.92656	0.6
57.03434	1.8
57.07079	100.0
59.05007	1.0
61.12453	0.6
67.05508	8.7
69.03458	1.1
69.07079	2.3
70.95885	1.8
70.99209	1.4
71.04998	3.4
72.93795	19.8
79.05507	1.5
81.07062	11.1
83.04995	0.9
83.08642	0.9
85.06549	20.3
87.34728	0.5
90.29886	0.5
90.94836	3.3
91.05502	0.9
93.07069	1.9
95.04977	4.9
95.08611	11.8
95.09170	0.9
97.06586	1.2
99.04476	2.0
99.08139	1.8
109.06547	3.6
109.10169	7.8
111.04453	1.2
113.06042	1.4
113.96410	17.0
119.08616	1.3
123.04472	2.3
131.97449	6.3
131.98228	0.6
132.95863	3.4
137.06046	1.7
137.09578	2.9
137.13304	1.0
140.04707	0.7
150.96936	2.2
155.03529	0.6
155.07104	4.7
155.08992	8.6
155.10751	1.0
155.14319	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	155.143
Annotation	p-Menth-3-en-1-ol
Peak:m/z	Relative Intensity
53.03920	1.3
55.05517	6.9
57.07069	3.3
67.05507	17.0
69.06727	2.1
69.07073	26.1
70.58570	1.4
70.58910	4.3
70.95876	2.3
71.04994	1.9
72.93794	100.0
79.05493	4.6
81.07061	91.3
83.04968	3.0
85.06520	1.9
90.94834	19.9
93.07051	1.9
95.04961	2.0
95.08608	53.5
99.04413	1.9
101.90919	1.5
108.95878	1.8
109.10165	19.1
111.04439	4.1
111.11031	1.9
111.11729	22.9
113.96408	72.7
117.07916	1.5
119.53369	1.3
127.07516	2.9
131.97441	34.6
132.95830	2.7
137.13252	13.7
148.00868	1.3
150.96927	1.8
154.99036	3.8
155.03415	2.4
155.07019	7.2
155.08322	2.7
155.14264	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	155.1067
Annotation	4-Hydroxy-3,5,5-trimethylcyclohex-2-enone
Peak:m/z	Relative Intensity
53.03937	1.8
55.01868	0.9
55.05514	4.3
57.03416	1.0
57.07071	3.6
57.26724	0.8
59.04994	3.4
61.02924	3.3
65.03931	1.2
67.05511	42.8
67.93711	0.8
69.03433	39.2
69.07072	7.1
69.76636	5.0
70.95882	1.4
71.01361	8.4
71.04998	28.9
72.93793	6.8
79.05492	2.3
81.03443	1.0
81.07064	11.8
83.04993	2.6
85.02908	2.7
85.06541	6.5
85.10178	1.2
90.94851	1.4
91.05485	2.0
93.07047	3.9
95.04975	9.5
95.08619	23.6
97.06549	8.6
99.04464	19.9
99.49666	1.2
104.54408	1.0
107.08580	2.0
109.06505	3.0
109.10163	100.0
110.10490	1.4
111.08107	4.0
112.72370	0.8
113.06018	23.2
113.09660	2.3
113.96402	5.9
115.38409	0.8
118.55098	0.9
119.08601	3.0
122.07276	10.6
131.97461	1.8
132.95836	0.8
137.09625	57.6
140.04736	1.2
150.96925	1.0
154.74120	0.9
155.07028	2.2
155.10672	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	155.1066
Annotation	4-Hydroxy-3,5,5-trimethylcyclohex-2-enone
Peak:m/z	Relative Intensity
53.03939	2.9
55.01860	1.5
55.05500	4.1
57.03426	1.3
57.07072	2.8
59.05008	5.4
59.05256	1.1
61.02924	3.6
65.03940	2.1
67.05505	47.5
69.03431	41.9
69.07073	8.4
70.95868	2.2
71.01362	8.1
71.04993	30.6
71.35334	1.9
72.93398	1.2
72.93790	21.2
74.61988	0.9
75.61581	0.9
79.05493	3.1
79.43705	1.1
81.03393	1.4
81.07064	15.9
83.04981	3.7
84.54580	1.1
85.02912	3.4
85.06541	7.4
85.10192	1.3
90.94814	3.5
91.05476	4.1
93.07050	2.5
95.04973	11.1
95.08607	27.1
97.06528	8.1
98.20641	1.1
99.04449	17.8
107.08614	2.5
109.06525	4.4
109.10155	100.0
110.10480	1.2
111.08089	3.6
111.98495	2.2
113.06007	23.0
113.09625	2.8
113.96400	18.2
119.08568	3.1
121.06487	1.1
122.07277	9.8
123.04408	1.9
127.03909	1.6
127.07561	1.5
131.97447	4.7
132.95848	4.7
135.07976	1.1
137.06023	1.4
137.09615	56.1
140.04674	2.0
143.47792	1.1
150.96892	2.7
155.07042	5.2
155.10670	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
53.17465	0.3
55.05515	3.4
56.05026	0.4
56.05816	0.5
57.07080	2.2
67.05497	0.4
68.04994	0.3
68.96304	0.3
69.03423	0.8
69.91895	1.5
70.06604	0.5
71.94090	0.5
72.93795	3.0
79.05493	1.0
80.05016	0.4
81.06641	0.6
81.07063	5.2
82.06573	0.8
83.04992	0.7
83.08614	1.2
84.04523	0.4
85.06531	0.6
90.94839	0.5
91.05489	0.8
95.04964	0.4
96.04479	0.5
96.08133	0.5
97.05260	1.8
98.06038	2.0
98.09680	1.6
108.08112	2.1
108.08833	0.6
109.06524	4.0
110.06026	2.9
111.06841	3.3
113.96416	2.6
119.53388	0.6
125.08362	0.7
126.06388	0.3
126.09161	3.6
130.96304	0.4
131.97423	0.9
136.07542	1.6
136.12067	0.3
137.06056	0.3
138.05525	0.4
139.06288	3.6
152.07089	0.5
154.08635	100.0
155.08922	0.8
174.79233	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0863
Annotation	4-Deoxypyridoxine
Peak:m/z	Relative Intensity
53.03976	0.7
55.01878	2.1
55.05525	1.1
57.07094	0.8
65.03944	3.7
67.05508	21.4
68.05054	1.1
69.03442	0.6
71.35493	0.7
71.94130	2.0
71.95271	0.4
72.93793	8.2
79.05540	1.4
79.26942	0.4
80.05007	3.2
80.05805	0.6
81.07059	4.3
82.06618	1.5
82.07398	0.5
83.04979	1.1
84.05334	0.5
85.53175	0.4
90.94820	2.7
91.05489	3.8
93.05790	2.9
93.07073	0.7
94.06593	1.3
94.07388	0.9
95.04976	20.5
95.08626	0.9
96.04533	0.6
98.06100	0.5
108.04477	4.4
108.08131	10.8
108.08926	1.2
109.10153	1.2
110.06049	4.1
110.10578	0.6
111.04470	0.8
112.96728	1.1
113.06093	0.5
113.96407	8.3
119.53411	1.2
126.05508	1.1
126.06332	0.6
126.09154	1.4
127.03880	0.5
130.96347	0.9
131.97469	4.2
136.07582	100.0
137.07968	0.7
139.03871	0.9
148.97351	1.3
154.04990	2.2
154.06015	0.8
154.08620	19.4
154.12004	0.5
154.13181	1.0
155.03558	0.5
155.07056	0.6
167.71301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03936	4.2
55.05514	10.7
56.49035	1.8
59.05011	8.8
64.12186	2.1
67.05497	6.2
69.07076	9.0
69.66671	11.9
71.04997	45.3
73.06562	24.7
77.29024	1.6
79.05497	23.4
81.07061	100.0
83.04974	2.2
91.05470	8.9
93.07047	41.3
95.08611	7.2
97.06518	6.7
107.08603	38.1
109.10155	7.7
111.08031	4.1
135.11728	31.3
153.12755	17.1
159.36293	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32927	3.3
53.03931	3.4
55.05517	100.0
57.07092	19.2
69.07071	67.2
70.95860	5.9
71.08634	10.1
79.05497	3.6
79.86563	3.1
83.08629	51.2
97.10175	63.6
109.07641	3.3
111.11018	3.1
111.11720	4.5
112.73164	3.1
124.08723	4.4
149.33241	3.5
153.10236	7.0
153.11386	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.36176	2.4
53.03952	3.7
55.05506	14.4
57.07067	3.6
58.61609	2.1
59.04985	9.0
65.03925	7.8
67.05489	9.2
69.07086	17.1
69.92011	4.1
69.92408	5.0
70.94247	4.7
70.95849	4.2
71.04610	2.2
71.04995	39.6
73.06557	22.7
75.29373	2.3
78.32140	2.3
78.93253	2.2
79.05492	32.4
81.07060	100.0
83.04974	8.6
83.08564	2.2
85.06548	2.8
91.05483	10.0
93.03394	9.3
93.06485	2.6
93.07050	46.5
95.04965	6.1
95.08617	14.2
97.06519	13.3
98.21407	3.4
105.07015	3.9
107.04932	3.5
107.08598	45.5
109.06525	2.1
109.10151	7.3
111.04437	10.0
111.08060	8.2
125.06001	13.2
135.04344	2.9
135.08015	3.5
135.11685	35.6
153.05482	9.2
153.09113	6.4
153.12758	22.0
154.08650	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	153.0911
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03930	3.9
54.06364	1.2
55.01865	8.1
55.05513	19.1
57.03432	9.7
57.07045	2.3
59.04998	3.1
61.02901	1.4
61.21593	1.7
65.03943	26.2
67.05508	18.3
67.37461	1.2
69.03429	12.2
69.07071	7.2
70.28746	5.5
70.94247	6.2
70.95854	5.1
71.04990	7.4
79.05493	35.6
81.03417	1.7
81.07053	12.5
83.04986	42.6
83.08613	4.1
88.22630	1.3
91.05483	24.1
93.03411	29.3
93.07046	84.1
95.04971	28.7
95.08604	11.3
97.02888	2.5
97.06515	9.6
105.07015	9.2
107.04995	3.0
107.08599	100.0
109.06520	7.9
109.10168	12.7
110.03639	4.6
111.04451	41.2
111.07376	1.9
111.08092	28.3
111.96862	4.1
117.07025	3.6
119.06042	2.1
125.02321	2.3
125.05985	24.1
125.09618	10.6
127.87091	1.2
128.89340	1.4
129.97845	3.1
135.04501	2.0
135.08060	52.1
135.11684	11.8
153.01839	4.2
153.05476	14.0
153.09109	38.4
153.10339	1.9
153.12755	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	151.1482
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03946	0.6
55.05511	4.4
57.07075	3.8
65.03941	0.7
65.56535	0.3
67.05508	25.4
69.06727	0.6
69.07072	7.7
69.18563	1.6
69.18987	2.1
71.08646	1.9
78.62168	0.4
78.76804	0.4
79.05503	4.0
80.06271	0.6
81.07061	42.5
83.08624	2.0
91.05495	1.4
93.07059	3.9
95.04951	0.6
95.08611	100.0
96.08947	0.6
105.07037	0.9
107.04977	1.4
107.08591	0.9
108.05737	0.4
109.10161	31.5
112.19559	0.4
123.11707	1.0
151.03931	0.4
151.07564	5.9
151.11136	1.0
151.14830	9.4
160.28455	0.4
160.58176	0.4
164.85892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1483
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.81313	0.5
55.05516	6.0
56.96565	0.7
57.07094	1.3
62.46968	0.5
65.03954	1.5
67.05512	81.8
69.07069	4.7
70.99284	1.1
71.08647	0.9
79.05505	3.9
81.07064	45.6
83.08615	0.8
91.05473	1.5
93.07066	3.9
95.05023	0.5
95.08616	100.0
96.08930	0.7
105.07053	1.4
107.08591	2.7
107.92284	0.6
109.10166	54.5
110.10496	0.6
111.87024	0.5
119.01801	1.0
121.52102	0.6
123.08071	1.0
133.10107	1.1
151.03909	0.9
151.04982	0.6
151.07590	0.9
151.08676	0.6
151.11200	1.5
151.14847	13.0
153.29492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03945	0.9
55.05512	5.5
57.07077	15.4
58.66197	0.4
65.03939	0.8
67.05508	34.0
69.03420	1.3
69.07073	10.9
69.07450	0.6
71.08629	6.9
71.55331	0.6
79.05496	4.9
80.06295	0.5
81.07059	41.7
83.08618	3.4
91.05479	6.5
93.07041	6.4
95.04976	2.7
95.08611	100.0
96.08946	0.6
97.06544	0.5
105.07030	13.5
107.04966	0.5
107.08595	5.7
108.05737	0.5
109.06525	9.6
109.10160	84.2
110.10512	0.5
119.04939	0.8
121.06493	0.8
121.10151	1.6
122.07288	0.5
122.10991	0.7
123.04449	0.6
123.08086	8.6
123.11710	9.8
133.10150	2.3
135.08075	1.1
136.08838	5.6
151.03917	1.8
151.07735	2.9
151.11188	83.2
151.14812	27.0
152.11543	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03949	0.7
54.29823	0.4
55.01867	1.6
55.05500	2.0
56.96560	0.6
57.03430	0.6
57.07071	1.0
59.04997	0.8
59.75189	0.4
63.63401	0.5
65.03939	1.3
67.05505	9.6
69.03436	2.8
69.07056	1.7
74.09425	0.6
77.03932	0.5
79.05497	6.6
81.03403	0.6
81.06583	1.0
81.07063	17.2
83.05009	0.7
89.06034	0.6
91.05486	14.6
91.80553	0.4
93.07052	7.9
95.04980	4.0
95.08614	11.8
97.06525	1.1
97.20306	0.6
98.97628	0.5
101.00752	0.5
103.05459	1.2
105.07037	29.5
107.04932	1.4
107.08601	10.2
107.47693	0.6
109.06520	17.1
109.10159	9.7
110.01295	0.9
119.01788	0.6
119.04930	0.7
119.06079	1.0
121.06512	0.6
121.10149	1.8
123.04476	0.7
123.08076	6.6
123.11725	4.5
124.99114	0.5
125.15961	0.6
131.08516	0.7
133.06470	1.4
133.10135	7.6
136.08826	1.0
151.04021	3.7
151.05055	1.3
151.07597	7.1
151.11189	100.0
152.11461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03941	1.8
55.01867	2.4
55.05503	2.9
56.96561	1.9
57.03444	1.0
57.07079	1.1
61.02921	0.7
65.03934	2.9
67.05515	9.9
68.95284	0.8
69.03425	2.8
69.07054	2.2
70.17072	1.3
70.17436	2.2
73.02914	0.7
78.04748	0.9
79.05490	6.8
80.06281	1.3
81.03426	1.1
81.07063	18.3
83.04961	0.8
89.06025	1.1
90.04674	0.6
91.05489	12.8
93.07053	10.6
95.04987	5.3
95.08609	10.4
96.01553	0.6
97.06567	1.4
98.01295	0.7
98.97618	1.8
105.03389	1.1
105.06395	1.2
105.07041	15.7
106.04177	0.8
107.04965	12.6
107.08613	8.6
108.02095	1.5
108.05754	5.3
109.06535	12.6
109.09460	1.1
109.10165	12.3
110.01238	1.0
117.16296	0.6
119.01810	2.4
119.04919	0.9
119.06030	0.8
121.06478	0.7
121.10155	2.1
123.04422	1.3
123.08076	8.1
123.11707	5.4
124.07585	0.7
128.02361	1.4
131.08644	0.7
131.81052	0.7
133.06523	1.3
133.10139	6.4
134.05991	0.8
135.04430	2.9
136.05191	2.7
136.08841	2.4
141.05510	0.9
151.02760	1.1
151.03909	14.1
151.05049	5.4
151.07559	52.0
151.11189	100.0
152.11569	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01859	1.3
55.05513	5.0
56.96556	1.2
57.07076	3.6
57.79369	0.5
61.94059	0.5
65.03937	2.6
67.05508	31.0
69.00581	0.6
69.03429	2.1
69.07063	2.2
71.03515	1.1
73.02911	0.6
79.05063	1.0
79.05495	14.0
81.03426	0.9
81.07060	50.9
83.04951	0.6
91.05485	15.7
93.07046	10.6
95.04986	3.7
95.08612	13.1
98.97565	0.9
103.05486	1.1
105.07035	24.6
107.04939	1.0
107.08601	45.9
108.02103	0.8
108.05772	0.8
108.08891	0.7
109.02895	0.9
109.06519	7.8
109.10161	100.0
110.10521	1.0
119.04987	1.5
119.06068	1.4
121.10162	2.2
123.04468	1.4
123.08093	5.0
123.11714	33.0
124.12012	1.0
127.07593	0.6
128.02309	0.8
131.08594	1.2
133.06497	1.2
133.10135	18.9
151.03917	5.5
151.05058	1.3
151.07564	10.8
151.11191	12.8
155.75851	0.6
158.61986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	875-59-2
Peak:m/z	Relative Intensity
53.03938	1.2
55.01876	0.9
55.05502	2.1
56.96555	2.3
57.03411	1.3
59.04993	0.5
61.33851	0.5
65.03935	2.5
66.04714	1.1
67.05507	10.6
69.03414	1.2
69.07056	1.6
69.92096	2.8
73.02923	0.8
76.77296	0.5
78.04697	1.0
79.05495	8.6
80.06260	2.3
81.03408	1.5
81.06586	0.8
81.07061	12.3
82.10132	0.5
83.04964	0.6
88.22969	0.7
89.06009	1.0
90.04681	1.4
91.05481	27.9
93.03405	1.0
93.07053	8.4
95.04977	5.9
95.08606	15.3
98.21385	0.7
98.97575	2.0
105.03403	1.3
105.04555	0.6
105.07035	18.2
106.04169	0.8
107.04957	19.0
107.08597	9.0
108.05742	8.8
109.06546	7.1
109.10165	6.8
110.01286	1.7
116.48134	0.8
118.04164	1.4
119.01819	2.1
119.04951	10.0
119.05837	0.9
120.30911	0.6
121.43465	0.6
121.51970	0.6
123.04417	1.9
123.08083	4.6
123.11705	2.6
128.02315	1.3
130.52588	0.8
133.06487	1.9
133.10135	5.6
135.04404	5.5
135.63805	0.6
136.05219	4.8
137.05954	0.9
151.04109	3.1
151.07549	100.0
151.11160	18.6
151.14836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-Isopropyl-3-methylphenol
Peak:m/z	Relative Intensity
53.03942	1.6
55.01859	1.3
55.05513	5.0
56.96556	1.2
57.07076	3.6
57.79369	0.5
61.94059	0.5
65.03937	2.6
67.05508	31.0
69.00581	0.6
69.03429	2.1
69.07063	2.2
71.03515	1.1
73.02911	0.6
79.05063	1.0
79.05495	14.0
81.03426	0.9
81.07060	50.9
83.04951	0.6
91.05485	15.7
93.07046	10.6
95.04986	3.7
95.08612	13.1
98.97565	0.9
103.05486	1.1
105.07035	24.6
107.04939	1.0
107.08601	45.9
108.02103	0.8
108.05772	0.8
108.08891	0.7
109.02895	0.9
109.06519	7.8
109.10161	100.0
110.10521	1.0
119.04987	1.5
119.06068	1.4
121.10162	2.2
123.04468	1.4
123.08093	5.0
123.11714	33.0
124.12012	1.0
127.07593	0.6
128.02309	0.8
131.08594	1.2
133.06497	1.2
133.10135	18.9
151.03917	5.5
151.05058	1.3
151.07564	10.8
151.11191	12.8
155.75851	0.6
158.61986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
50.03003	2.0
52.96300	2.6
53.03936	5.3
55.01856	3.7
55.05523	11.1
62.20678	2.1
63.39565	2.2
64.20065	2.1
65.03954	24.0
67.05505	7.0
69.07071	12.7
69.38476	19.7
79.05497	48.9
81.07060	32.9
91.05492	30.0
93.03423	5.5
93.07056	100.0
95.04958	3.6
95.08611	5.3
103.05487	2.7
103.25214	2.4
105.07030	13.0
107.04970	4.0
107.08606	79.2
109.06564	3.4
110.76117	2.0
111.04469	2.6
121.02874	28.2
121.03983	7.4
121.06530	4.1
121.10146	23.9
131.08574	5.5
149.02364	68.2
149.03410	3.0
149.09656	10.0
149.13268	45.1
169.04906	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03942	2.5
53.72149	1.4
55.01867	2.5
55.05502	6.6
57.03437	1.9
59.46743	1.7
65.03941	38.0
66.94808	1.6
67.05495	4.5
69.07075	8.6
71.22043	2.2
79.05498	15.4
80.02638	1.9
80.14161	1.7
81.07061	21.4
85.93228	1.6
91.05476	13.2
91.95081	1.5
93.03405	5.9
93.07048	60.1
93.07635	3.4
95.04987	2.7
95.08600	4.5
102.96848	1.8
103.05487	2.5
105.07027	11.3
107.08598	37.9
111.04449	4.0
113.08164	1.7
119.08562	3.5
121.02877	36.4
121.03985	10.2
121.06495	4.0
121.10146	20.0
125.94615	1.6
131.04913	2.0
149.02354	100.0
149.03433	7.3
149.06012	4.4
149.09679	9.5
149.13269	32.5
150.02676	2.8
157.01833	1.5
169.03366	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03938	3.1
55.05513	3.2
57.07070	3.0
61.40417	2.0
62.88988	2.1
65.03948	27.2
66.69749	2.0
67.05498	2.7
69.07053	6.2
69.52886	15.0
79.05492	15.6
81.07059	4.7
91.05487	13.1
93.03419	4.5
93.07041	28.5
98.20730	3.9
98.95016	2.1
103.05470	4.7
105.07037	30.6
107.08601	42.3
112.51232	2.3
117.17966	2.2
119.08606	12.6
121.02879	28.4
121.03988	8.7
121.06483	2.6
121.10146	100.0
123.08083	4.0
131.08606	2.3
133.07637	2.1
133.10147	4.9
134.10960	2.5
139.64157	2.1
149.02359	75.7
149.03430	5.3
149.05989	3.9
149.09657	14.5
149.13271	34.1
151.47176	2.0
169.03539	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	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03926	1.5
55.05500	3.6
58.41614	1.1
59.07416	1.1
65.03941	30.7
67.05520	5.7
69.01933	1.2
69.07069	6.6
71.56167	1.5
73.47926	1.2
79.05494	11.1
81.07059	20.9
91.05485	8.0
93.03423	5.6
93.07050	39.8
95.04947	2.5
95.08599	3.3
103.05499	1.4
105.06995	2.8
107.04982	1.6
107.08598	27.3
111.04470	3.1
121.02000	2.0
121.02871	37.3
121.03975	9.9
121.06518	2.2
121.10149	12.1
121.51100	1.2
122.03194	1.3
125.88898	1.2
131.05032	1.3
131.08591	1.2
133.02808	1.2
149.02354	100.0
149.03397	4.9
149.09608	4.2
149.13258	26.3
149.14372	1.9
150.02669	2.5
150.09096	1.2
163.03934	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03944	4.2
55.01872	3.3
55.05499	4.3
57.07094	2.1
63.03998	1.5
65.03651	1.9
65.03941	20.0
67.05488	1.8
69.07066	2.9
71.55445	1.9
79.05495	18.9
81.07043	3.7
91.05486	24.0
93.03412	3.6
93.07050	38.8
94.61909	1.5
95.04945	2.6
95.08633	1.7
103.05483	4.5
105.04510	2.5
105.06385	3.0
105.07042	38.7
106.07832	4.4
107.08598	34.7
111.04424	3.3
111.30791	1.6
116.06242	2.4
119.08605	11.1
120.09383	1.6
121.02878	28.3
121.03973	7.6
121.06505	5.3
121.10150	98.3
123.08079	6.3
131.04994	1.5
131.08588	3.7
133.07674	3.1
138.06847	1.7
149.02364	59.5
149.03464	4.7
149.05980	3.4
149.09633	100.0
149.13261	20.0
169.03455	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	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03939	3.0
53.93763	0.8
55.05501	2.2
57.03062	0.7
57.03431	1.1
57.32550	0.8
65.03939	5.0
67.05485	1.5
69.07082	3.7
69.09007	0.7
70.10082	2.5
77.03944	0.8
79.05495	13.9
80.40383	0.7
81.07051	3.7
91.05486	16.8
93.03391	1.2
93.07046	36.0
95.04974	2.7
98.21501	1.0
103.05468	3.5
105.04524	1.6
105.07034	20.4
106.07823	2.4
107.04958	34.7
107.07875	1.0
107.08595	17.0
109.06501	0.9
115.05446	1.0
115.37760	0.8
116.06235	2.7
119.06049	0.7
119.08547	3.7
121.02889	5.2
121.03983	2.4
121.06524	4.0
121.10148	32.0
123.08032	1.3
129.07115	0.9
131.08575	7.1
133.07610	1.7
134.31479	0.7
149.02354	16.5
149.03470	1.6
149.06001	2.1
149.09624	100.0
149.13225	6.9
150.09964	1.3
165.28418	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03942	2.0
53.23011	1.7
53.67264	1.4
55.01859	1.7
65.03948	9.1
69.03416	5.2
69.61245	9.2
79.05509	9.2
81.07056	2.1
83.85893	1.9
84.02954	1.5
91.05484	44.2
93.07047	23.4
95.04975	3.2
98.21469	2.6
98.28321	1.6
103.05481	6.8
105.07040	29.8
106.07826	3.2
107.04920	2.0
107.08600	7.4
109.06489	3.1
115.05463	5.0
116.06258	13.9
119.08575	5.3
120.05777	1.9
121.02875	10.6
121.03991	2.6
121.06515	16.4
121.10144	37.9
123.08102	4.0
129.07027	8.1
130.63960	1.6
131.04953	3.3
131.08577	27.2
134.07292	3.6
147.08113	3.8
149.02362	28.7
149.03499	3.2
149.05978	2.7
149.09634	100.0
149.13245	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	149.0963
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
52.29443	0.6
53.03941	1.3
55.01855	1.8
55.05511	1.2
63.49683	0.8
65.03608	1.5
65.03946	31.3
70.78469	1.5
79.05492	6.8
81.07065	0.9
89.03918	1.4
91.05484	8.9
93.03407	6.7
93.07050	13.3
95.04974	0.9
96.49467	0.7
103.05484	4.1
105.07036	9.1
106.07821	1.2
107.04941	1.8
107.08611	2.3
111.04452	3.5
116.06271	1.1
117.03454	0.8
119.04965	1.1
119.08601	2.7
121.02878	38.2
121.03983	11.1
121.06505	4.9
121.10152	8.7
122.03210	1.1
131.04948	1.4
131.08553	1.6
141.26987	0.8
149.02359	100.0
149.05983	5.1
149.09639	35.5
150.02681	1.8
167.05519	0.9
169.03439	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
50.17136	0.8
50.66484	0.8
53.03939	1.3
55.01866	1.3
55.05504	2.1
65.03953	9.5
65.18899	1.0
67.51637	0.9
69.70020	4.1
70.50600	0.9
71.22052	0.9
79.05496	14.3
81.07043	3.1
90.07066	0.9
91.04961	1.8
91.05484	16.1
93.03384	2.1
93.07047	27.5
95.04959	1.7
103.05466	4.1
105.07036	20.4
106.07796	2.3
107.08587	3.7
108.26756	1.0
116.06231	2.7
119.08578	3.1
121.02872	10.2
121.03974	3.6
121.06489	3.2
121.10142	18.0
123.08017	1.8
131.04883	1.4
131.08578	4.0
133.07613	2.0
137.90056	1.1
149.02348	28.6
149.03485	2.5
149.06009	2.9
149.09627	100.0
149.13312	2.2
150.10049	1.3
169.03496	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03940	3.7
55.01876	16.1
55.05507	6.1
65.03940	14.6
69.03420	4.8
69.07076	2.4
76.21400	1.7
79.05495	26.4
81.07038	9.4
85.39436	1.9
91.05488	46.7
93.03410	3.2
93.07050	63.2
95.04951	3.2
103.05482	2.0
105.07014	7.6
107.04966	86.4
107.08589	13.1
109.06677	2.1
111.04453	2.6
115.37496	1.8
116.06232	11.5
116.06931	1.8
119.08579	15.3
121.02869	21.1
121.03972	6.6
121.06506	19.2
121.10135	17.9
129.07011	9.6
131.08582	96.4
132.08955	2.2
134.07249	2.7
149.02351	53.8
149.03403	2.8
149.09633	100.0
149.13249	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	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03933	3.0
55.01861	1.3
55.05510	1.3
65.03944	13.5
69.07037	1.0
69.65195	4.8
77.03932	1.3
79.05495	13.0
81.07051	2.6
91.05487	12.9
93.03442	2.3
93.07049	26.9
95.04953	2.8
103.05472	3.4
105.04530	1.1
105.07034	19.7
106.07825	1.4
107.04997	1.3
107.08615	5.1
109.06532	1.7
111.04454	1.3
116.06296	2.1
119.08600	3.0
121.02871	16.9
121.03955	4.0
121.06519	5.0
121.10149	20.4
131.08592	2.5
134.07233	1.1
149.02356	33.7
149.03383	1.5
149.06075	2.1
149.09625	100.0
149.13252	3.5
152.61972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05511	7.9
55.08658	1.0
56.05821	1.2
59.14735	1.0
62.27858	0.9
67.05505	1.4
69.07061	1.9
69.75266	1.9
69.75677	5.3
79.05479	4.2
81.94186	1.2
83.06902	3.1
91.05482	11.8
93.07074	1.5
95.04945	1.2
98.20760	1.2
100.07585	2.3
101.07935	10.6
103.05455	2.8
105.07036	100.0
107.08611	2.9
117.07021	3.6
119.08585	48.3
123.96450	3.1
132.09367	1.5
145.10139	3.7
147.08452	3.3
147.11691	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	149.0599
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
50.55556	1.0
53.03955	5.5
54.38669	0.9
55.01865	4.0
55.05509	2.3
56.96565	10.0
57.03420	2.0
58.06586	2.8
59.07396	1.6
60.08162	4.4
61.02935	1.8
65.03947	32.8
67.05494	2.7
69.03427	1.4
70.02654	4.5
74.78035	0.8
77.03921	1.2
79.05500	38.0
81.07070	3.1
83.04996	2.0
83.08644	1.4
84.04507	2.2
85.02893	2.1
85.04832	5.1
88.01797	1.1
89.03928	1.6
89.28888	1.0
90.65215	0.8
91.05487	19.3
92.14762	0.9
93.03410	7.3
93.07051	35.8
94.06598	1.6
95.04971	5.2
95.06056	1.4
97.04004	1.1
102.03368	3.2
103.05473	92.2
104.05788	1.5
105.04527	3.0
105.07034	4.4
106.04187	1.8
107.04968	26.8
107.08598	0.9
108.04482	1.3
111.03849	2.3
111.04467	5.6
115.04144	1.2
119.00181	1.4
121.02879	37.0
121.03988	13.4
121.06512	42.9
121.10154	3.4
123.07187	1.1
123.07911	5.0
124.04675	2.6
126.59489	3.7
131.04916	13.4
132.08167	1.0
134.03687	1.1
139.03946	1.5
139.05026	2.5
149.02361	100.0
149.03427	6.1
149.05991	23.0
149.07021	1.4
149.09666	7.6
149.11589	1.2
150.02760	1.6
150.05547	2.0
150.07739	6.6
151.02397	1.8
163.02879	1.4
166.05917	0.9
167.05579	1.4
167.27945	0.9
169.03477	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	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.9
55.08658	1.0
56.05821	1.2
59.14735	1.0
62.27858	0.9
67.05505	1.4
69.07061	1.9
69.75266	1.9
69.75677	5.3
79.05479	4.2
81.94186	1.2
83.06902	3.1
91.05482	11.8
93.07074	1.5
95.04945	1.2
98.20760	1.2
100.07585	2.3
101.07935	10.6
103.05455	2.8
105.07036	100.0
107.08611	2.9
117.07021	3.6
119.08585	48.3
123.96450	3.1
132.09367	1.5
145.10139	3.7
147.08452	3.3
147.11691	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	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.6
59.68299	1.2
64.92821	1.3
67.05511	2.2
67.36510	0.9
69.07066	1.7
71.35558	1.4
71.35884	1.2
79.05492	4.3
81.07025	1.3
83.06904	2.6
84.11618	1.0
91.05490	13.9
93.07034	1.8
100.07614	1.7
101.07966	7.3
103.05457	1.7
103.93636	1.0
105.07038	100.0
106.07356	1.2
107.08617	1.5
115.97563	1.1
117.07031	3.0
119.08585	52.1
123.96452	1.5
132.09349	1.5
145.10139	4.0
147.08476	3.4
147.11702	45.7
167.01457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
50.58460	1.1
55.05520	8.3
63.63135	1.0
64.92797	1.4
67.05487	1.7
69.07066	2.4
69.84566	5.1
78.10380	1.0
79.05502	5.0
81.07069	1.0
83.06912	3.9
91.05493	15.6
93.07073	1.2
94.00297	1.0
98.20836	1.7
100.07621	2.3
101.07362	1.6
101.07951	9.6
103.05490	2.3
105.07038	100.0
106.07362	1.0
107.08595	2.2
117.07018	3.6
119.08590	53.8
123.96454	1.8
132.09413	1.5
133.42213	1.1
145.10139	3.2
147.08452	4.7
147.11700	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	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.3
55.05499	5.9
57.07077	2.0
59.05004	2.0
60.75787	1.5
67.05499	1.8
69.03436	10.8
69.07069	3.8
70.08443	6.9
71.04999	19.8
73.06538	2.1
79.05489	2.9
80.07651	1.5
80.28720	1.4
83.04975	4.9
83.08623	4.5
85.02919	2.3
85.06541	6.9
97.02892	18.6
97.06026	1.2
97.06561	10.5
97.10152	3.5
98.06031	3.0
98.20895	2.2
107.08611	9.5
125.02359	24.8
125.05985	2.2
125.09647	4.2
128.06210	7.2
143.03407	100.0
143.08595	4.2
143.10768	2.0
144.06589	1.9
159.55777	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0813
Annotation	2-Amino-5-oxohexanoate
Peak:m/z	Relative Intensity
52.74685	0.5
55.56045	0.4
56.53645	0.4
58.66026	0.4
67.04244	0.6
71.07115	0.9
72.08154	1.0
77.50275	0.5
82.06585	33.7
83.98127	0.5
84.52303	0.4
86.06081	0.8
87.04491	0.8
92.70204	0.4
100.07622	100.0
107.03138	0.5
122.37408	0.4
128.07080	2.3
140.26915	0.6
146.08130	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	146.0814
Annotation	L-2-Aminoadipate 6-semialdehyde
Peak:m/z	Relative Intensity
53.26012	0.4
55.05513	0.8
56.61225	0.4
56.96569	1.8
67.04251	0.6
69.03426	0.9
70.05779	1.5
72.08160	1.9
73.06565	0.5
82.06585	33.8
97.02927	0.5
98.97591	1.6
100.07623	100.0
109.46619	0.4
110.97568	0.5
128.07094	2.4
146.08130	36.3
147.03259	0.6
155.04630	0.4
158.99649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1067
Annotation	trans-2-Hexenyl acetate
Peak:m/z	Relative Intensity
53.28463	1.8
55.01866	3.5
55.05269	2.8
55.05515	40.8
57.07067	3.4
59.05003	8.5
69.03419	6.0
69.07056	5.9
69.75256	5.7
69.75655	2.5
69.88377	1.4
83.05002	1.9
83.08622	100.0
97.02862	2.7
97.10189	17.8
101.06005	3.6
101.09663	2.1
125.02357	2.9
143.03386	7.9
143.10686	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	143.1068
Annotation	trans-2-Hexenyl acetate
Peak:m/z	Relative Intensity
51.19938	2.0
54.04599	2.0
55.01872	3.8
55.05265	2.6
55.05517	44.0
57.07071	2.1
59.04996	7.6
61.49556	2.0
69.03435	13.9
69.07086	9.7
70.68355	4.1
70.68724	4.7
70.90855	2.0
71.04998	3.0
72.43839	1.9
79.05469	3.7
83.04958	5.2
83.08624	100.0
92.27604	2.0
97.02916	13.7
97.06529	6.9
97.10169	19.0
98.06080	3.1
98.87585	1.9
101.06017	2.4
101.09644	3.5
105.93713	2.0
107.08631	3.5
112.31248	2.0
116.24841	1.9
125.02362	26.2
125.06022	4.1
125.09645	2.6
128.06216	6.2
133.01926	2.3
136.69308	1.9
143.03407	85.3
143.10680	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	143.0704
Annotation	Dihydrosarkomycin
Peak:m/z	Relative Intensity
55.01864	4.2
55.05507	3.3
56.96573	2.4
67.05498	3.1
69.03417	6.2
69.07072	25.4
69.89189	1.6
71.38349	2.7
73.06561	2.7
79.05480	17.5
83.04966	3.0
97.02891	7.8
97.06539	100.0
125.02386	10.5
125.05997	24.5
143.03409	47.1
159.05078	1.8
161.82974	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0864
Annotation	Hypoglycine
Peak:m/z	Relative Intensity
53.03944	3.9
57.03440	14.2
65.08425	1.3
66.09354	1.4
67.05496	2.1
69.07079	6.9
70.54078	2.6
70.54459	3.6
79.05495	40.5
80.02797	1.2
81.07067	26.9
83.04989	2.4
96.08131	1.8
96.08921	1.9
97.06537	75.1
99.86761	1.4
100.56317	1.3
124.07607	4.2
125.02328	1.7
125.05998	100.0
131.91301	1.7
142.08630	30.7
143.03418	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	143.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.9
56.73080	2.4
56.96576	7.3
57.03450	14.9
57.45974	2.3
58.99865	4.8
61.02929	12.5
68.05044	3.1
69.03432	10.3
69.84691	13.2
69.85020	2.8
70.06604	24.4
70.99856	5.8
71.15664	2.2
71.70965	2.4
73.02929	19.8
78.52964	4.1
79.02159	3.1
80.52691	2.9
81.01918	4.1
81.03417	7.4
81.04548	19.9
82.01443	10.5
82.99847	6.4
84.08142	10.2
84.52975	7.8
85.02921	10.0
86.52718	4.8
88.02687	11.2
90.52959	8.4
92.52704	4.7
93.01888	9.7
93.02876	3.0
93.53456	2.4
95.06097	12.1
96.02445	4.2
97.02859	12.9
97.07658	35.4
98.09711	7.7
98.21537	2.6
98.52674	6.1
98.97590	4.8
99.53488	7.0
100.02489	24.4
101.00887	57.0
101.02585	3.4
102.00977	4.4
102.02435	14.0
102.52477	4.3
104.52679	8.0
111.02940	9.6
111.53045	3.3
113.00873	5.9
113.53219	14.4
115.02449	6.0
118.03523	7.4
119.01929	100.0
120.02042	5.4
122.53729	8.5
124.02475	11.9
125.02486	3.3
125.07095	14.6
127.03936	4.4
131.01942	14.7
131.54185	3.1
132.34421	2.4
133.03494	3.2
137.02975	13.3
141.02664	3.0
142.03548	30.5
143.01891	13.4
143.03467	10.1
143.08153	31.3
143.09102	4.1
143.11781	6.1
144.10185	13.5
154.03493	9.2
155.01891	3.9
157.03450	3.7
161.02953	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
57.03440	14.2
65.08425	1.3
66.09354	1.4
67.05496	2.1
69.07079	6.9
70.54078	2.6
70.54459	3.6
79.05495	40.5
80.02797	1.2
81.07067	26.9
83.04989	2.4
96.08131	1.8
96.08921	1.9
97.06537	75.1
99.86761	1.4
100.56317	1.3
124.07607	4.2
125.02328	1.7
125.05998	100.0
131.91301	1.7
142.08630	30.7
143.03418	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	141.091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.2
57.03449	3.4
67.05508	43.4
69.07069	3.9
70.21345	3.9
71.04984	4.8
79.05493	8.1
81.07059	44.7
81.12659	1.7
81.47068	1.6
82.68462	1.8
83.04976	2.4
85.02930	2.1
93.07049	11.9
95.04982	3.3
95.08611	100.0
97.06535	7.8
98.20847	2.7
99.08098	31.2
105.07043	2.4
113.02364	4.1
123.08060	13.8
125.05934	2.0
141.01851	9.2
141.05495	2.6
141.09077	5.4
158.57231	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21051	9.3
60.47993	8.2
70.51122	30.6
82.99832	10.9
84.55273	8.3
88.51681	9.2
101.00887	59.0
119.01931	100.0
137.02939	12.0
137.50041	12.5
142.03537	55.4
153.80927	9.6
160.90425	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	142.0863
Annotation	Hypoglycine
Peak:m/z	Relative Intensity
53.03940	3.9
55.01881	2.0
55.05502	2.6
57.03431	18.3
67.05501	3.0
68.05032	2.8
69.07062	11.5
70.06585	5.2
71.08627	9.9
71.25665	3.6
72.43371	1.8
74.19376	1.8
79.05497	43.4
81.07054	26.9
83.08604	3.0
92.73837	2.0
96.08131	7.6
97.02918	3.7
97.06530	77.9
105.22621	1.8
114.09163	8.7
124.07575	6.0
125.02352	6.6
125.05994	100.0
142.08643	48.9
143.03409	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	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45426	0.9
53.42813	0.9
56.96569	16.1
70.70059	2.0
71.95261	3.0
74.67120	0.7
98.97590	100.0
101.79015	1.0
114.73304	1.0
116.98633	34.5
122.05990	1.0
126.94386	0.8
134.66283	0.8
134.99686	7.2
146.80733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0547
Annotation	5-Methoxyresorcinol
Peak:m/z	Relative Intensity
53.03934	1.7
55.05498	0.9
55.98807	0.5
56.96555	0.7
57.03439	0.6
67.01870	3.8
67.05498	4.1
67.93596	0.8
68.72057	0.5
68.99783	2.4
69.03405	0.5
70.83068	1.5
71.04996	1.1
73.06545	0.8
79.05497	0.6
81.03422	14.9
81.07041	2.2
83.05013	0.6
84.53345	0.5
85.02900	1.5
85.06537	0.6
85.07657	0.7
95.01302	1.0
95.04967	6.1
95.08607	5.1
97.06548	0.9
98.03682	7.8
98.97556	0.5
99.04444	1.4
99.08097	1.1
99.97949	0.7
108.02107	1.2
109.02883	9.9
112.08704	1.2
113.02368	5.2
113.06011	4.3
116.98652	0.9
123.04433	4.1
123.08077	0.5
126.03145	10.8
127.03934	4.3
141.01859	8.2
141.05467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.091
Annotation	2-Propyl-2,4-pentadienoic acid
Peak:m/z	Relative Intensity
53.03936	2.3
55.05514	12.7
57.03441	3.4
65.03922	2.2
67.05508	42.8
67.42521	1.4
68.94162	1.1
69.07066	2.9
69.97245	4.7
71.04980	5.2
79.05492	13.1
81.07059	50.4
83.04982	2.2
91.05447	2.3
93.07037	10.2
95.04977	2.7
95.08608	100.0
97.06519	6.6
99.08097	32.0
105.07014	3.1
113.02337	1.3
123.08066	14.1
125.05990	2.1
129.39859	1.1
133.01196	1.2
136.28036	1.2
137.64233	1.2
141.01837	2.6
141.09105	5.7
142.08711	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1482
Annotation	3-Ethyl-1,5-octadiene
Peak:m/z	Relative Intensity
50.75974	1.6
52.97580	1.5
53.03952	2.5
55.05518	89.3
56.05025	2.9
57.02184	1.7
57.04546	2.0
57.07086	15.7
58.02958	4.6
61.16435	1.6
61.19758	1.6
61.66803	1.7
62.91536	1.5
67.05470	1.4
69.07075	50.9
69.23295	10.3
69.23714	4.9
71.08627	1.9
81.07050	3.1
83.06133	1.6
83.08627	100.0
93.04530	3.2
95.06125	1.9
97.10187	21.0
98.07180	11.1
98.98458	2.8
99.05561	2.5
121.03991	13.0
122.07203	4.2
127.40485	1.7
130.95720	1.8
139.05070	8.0
139.07568	2.6
139.08664	2.9
139.09709	2.4
139.12296	2.6
139.71231	1.5
140.03410	2.1
140.08208	1.9
144.30304	1.8
154.95699	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05639	0.5
54.98632	0.6
56.96569	14.9
69.72723	2.2
71.95265	5.2
73.02921	0.7
84.40150	0.4
90.01503	0.7
98.97591	100.0
110.01278	0.6
116.98630	37.0
119.01794	0.8
128.02328	0.7
134.99673	9.9
140.00206	0.7
145.03867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
51.15736	0.8
53.03931	1.5
53.47333	0.8
55.05514	4.2
57.07080	9.8
63.64246	0.9
65.03923	1.2
67.05183	1.3
67.05513	19.3
69.07073	5.6
71.06180	1.5
71.08603	1.1
79.05492	6.9
81.07063	78.5
91.05480	2.8
93.07060	5.5
94.04179	2.7
95.08613	100.0
96.08932	1.0
100.13226	0.9
109.10153	6.2
122.03681	4.7
137.05986	14.8
137.13268	17.5
138.05583	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
51.32647	0.3
53.03947	0.3
62.18368	0.2
65.03944	0.5
67.05509	0.6
71.06789	0.5
78.03458	0.5
82.80771	0.2
92.05010	6.5
93.05788	0.5
94.06576	12.0
96.04498	1.7
110.06047	5.9
136.03934	0.4
138.05510	100.0
139.05872	0.7
154.04926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03947	1.4
55.05498	0.9
61.38429	0.5
65.03918	0.6
66.04721	0.6
67.05508	16.4
69.07058	0.6
69.71152	1.0
69.71564	1.7
76.14735	0.5
79.05495	2.8
81.07059	6.5
91.05486	8.1
93.07053	3.5
94.04192	4.9
94.07829	0.7
95.04967	1.6
95.08591	5.1
103.05442	0.8
104.06229	1.0
107.04958	11.6
107.08566	1.0
109.06522	1.0
109.10162	27.3
117.07001	1.1
119.08585	14.1
121.06515	6.2
122.03652	9.9
122.07288	64.0
123.07635	0.7
135.08035	2.9
135.60680	0.5
136.02370	0.5
137.05998	19.2
137.09619	100.0
138.09988	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03932	2.6
55.01873	1.5
55.05503	2.9
57.03439	1.2
62.17706	0.7
65.03937	2.1
65.28487	0.7
66.04716	1.0
67.05511	31.3
69.03412	2.0
69.07096	1.0
71.18900	1.2
71.19225	1.1
76.15714	0.8
77.03923	1.0
79.05499	6.9
81.03428	2.0
81.07062	14.6
82.42740	0.7
83.04984	1.8
91.05499	16.0
93.07043	6.6
94.04191	10.7
94.07813	1.2
95.04989	6.5
95.08607	12.1
103.05457	1.4
105.04533	0.9
107.04962	12.4
107.08612	1.6
109.06525	17.2
109.10165	38.2
117.07021	1.6
119.05054	0.7
119.06035	1.2
119.08584	13.0
121.06496	5.5
122.03662	21.4
122.07294	61.9
135.08076	2.2
137.02483	1.4
137.05185	0.9
137.05978	41.8
137.09625	100.0
138.05501	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	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
54.09304	1.2
55.01848	3.1
55.05502	4.7
65.03926	2.7
66.04700	1.8
67.05505	38.2
69.03418	2.9
69.07059	2.7
69.57166	1.3
71.55444	1.7
76.61579	1.4
79.05486	7.3
81.03416	2.9
81.07050	21.5
91.04980	1.6
91.05491	25.5
93.07037	8.6
94.04190	22.2
95.04967	8.8
95.08600	16.0
103.05463	1.3
103.32213	1.2
107.04959	10.7
107.08601	4.4
109.06521	25.3
109.10161	38.7
117.07037	1.9
118.11386	1.3
119.04936	3.1
119.06035	1.6
119.08575	15.0
121.06512	3.4
121.80141	1.3
122.03655	38.3
122.07281	48.3
137.02414	2.4
137.05975	100.0
137.09616	91.0
137.13260	2.0
138.05475	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	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
54.26316	0.5
55.01875	0.7
55.05499	1.5
65.03937	1.0
66.04715	1.6
67.05509	18.2
69.03411	0.9
69.07059	0.8
69.71204	1.7
69.71635	1.8
73.80614	0.6
77.03907	0.8
79.05497	3.5
81.07067	7.8
89.49876	0.6
91.05482	7.8
93.07047	4.6
94.04192	9.7
94.07850	1.1
95.04959	1.8
95.08620	6.0
103.05469	1.3
104.06273	0.7
105.04527	0.7
105.07107	0.6
107.04966	11.1
107.05650	0.5
107.08572	0.6
109.06548	1.7
109.10162	28.3
109.39249	0.7
111.04243	0.6
117.07019	0.8
119.07789	1.0
119.08598	11.0
121.06531	5.9
122.03661	16.6
122.07291	61.6
135.08075	2.8
137.05988	38.2
137.09622	100.0
138.05437	0.8
138.09952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
51.55743	0.2
69.83889	1.1
76.38902	0.2
81.07053	0.3
83.14815	0.2
91.05488	0.3
92.02474	0.2
94.04058	3.0
98.21458	0.3
109.05135	0.5
109.06515	0.2
119.03555	8.5
122.03624	0.2
136.02190	1.7
136.06186	100.0
137.04582	3.5
137.05933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02384	0.3
53.03951	0.9
62.15936	0.3
63.67258	0.3
65.03942	0.7
66.04726	3.3
67.05510	0.5
69.03421	0.3
69.93943	1.4
77.03933	0.4
79.05496	2.8
81.07068	2.1
91.05473	2.8
94.04188	25.1
95.04990	0.5
95.08637	0.3
105.03385	0.7
105.68456	0.3
107.04939	1.0
109.06538	1.0
109.18084	0.3
122.03650	46.7
135.04456	0.6
137.05975	100.0
138.06351	0.7
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
52.69646	0.3
53.03944	0.9
53.50442	0.3
54.56510	0.3
55.63836	0.3
65.03951	0.7
66.04727	2.8
67.05498	0.4
67.22593	0.3
69.04593	0.3
69.30379	1.2
69.30801	1.2
77.03941	0.5
79.05508	3.1
81.07055	1.2
91.05486	2.2
94.04195	25.3
95.04981	0.6
107.04959	1.2
109.06531	0.6
110.60241	0.4
122.03657	43.1
135.04419	0.8
137.05986	100.0
138.06332	1.3
138.11804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03946	4.3
55.05505	2.6
59.23678	1.7
65.03942	1.8
65.31891	2.0
67.05502	2.3
67.58945	1.9
79.05486	13.6
87.28199	1.9
91.05489	34.1
93.07047	38.5
95.04988	3.4
102.07279	1.9
105.06367	3.0
105.07028	20.9
107.08597	100.0
109.06525	5.0
117.06966	2.7
119.06094	2.8
119.08566	21.6
120.09336	5.5
127.04755	3.0
130.71916	2.0
135.08054	3.7
135.11702	50.3
143.04182	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03950	9.8
55.05521	9.7
67.05514	27.0
69.07062	8.3
79.05501	82.2
81.03472	2.0
81.07068	24.3
82.16560	2.0
83.90449	1.9
91.05489	23.7
93.07051	100.0
95.04945	5.2
98.17843	1.8
101.33457	2.2
105.04521	4.2
105.07041	7.9
107.04976	5.5
107.08602	70.4
112.51104	1.9
115.05383	2.2
119.08634	3.0
135.04431	17.8
135.05464	4.2
135.08096	10.9
135.11700	86.7
136.02168	14.1
136.06209	16.6
136.07675	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
55.01860	3.0
55.05498	9.3
61.98696	2.1
65.03955	2.2
67.05491	8.4
69.07059	4.4
69.18368	21.9
79.05067	3.5
79.05490	37.9
81.07044	6.1
83.78596	2.0
87.58450	2.0
91.05473	41.9
93.06487	3.1
93.07043	55.5
93.07629	3.3
95.04929	4.0
105.04497	3.5
105.07026	20.5
107.04969	11.1
107.08589	100.0
109.06493	4.2
115.05447	7.7
117.07022	7.7
119.06068	4.8
119.08589	16.3
120.09347	3.1
135.04427	7.4
135.08069	29.0
135.11682	47.3
136.02139	8.1
136.06198	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03929	3.3
55.05520	7.1
62.16713	1.3
62.34693	1.3
67.05502	18.5
69.07061	6.5
79.05496	52.0
81.07059	20.9
91.05473	13.9
91.45962	1.2
93.07050	69.0
95.04971	2.7
105.04521	1.3
105.07024	5.2
107.04926	1.3
107.07863	2.6
107.08598	45.2
115.05502	1.6
117.07018	1.4
119.06082	1.3
124.84928	1.2
133.10147	1.7
135.04485	2.2
135.08084	23.4
135.11699	100.0
136.02165	6.2
136.06198	7.6
136.12068	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03936	4.5
55.05495	6.6
65.03928	2.2
67.05505	3.8
69.07052	2.2
69.91984	2.6
70.65430	2.5
70.65758	4.4
70.73457	1.9
73.44727	2.4
75.84426	2.1
79.05481	21.9
81.07059	3.3
91.05483	46.3
93.07050	42.4
95.04935	4.1
105.04520	3.2
105.07027	20.2
107.04950	7.8
107.08597	100.0
109.06493	4.7
115.05479	3.3
117.07032	3.5
119.06101	4.5
119.08603	15.8
120.09347	4.1
133.10168	2.6
135.04395	7.5
135.08057	22.4
135.11697	35.8
136.02129	4.3
136.06181	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03944	6.3
55.05507	8.8
55.57291	1.3
67.05505	3.2
69.07061	4.6
69.43395	10.2
69.43819	2.1
77.03951	1.8
79.05067	1.9
79.05498	24.2
79.05933	1.6
81.07050	3.0
91.04965	2.4
91.05490	27.5
93.07049	60.8
95.04959	4.4
105.04545	1.8
105.07032	14.1
107.04998	4.2
107.08600	100.0
109.06524	3.4
112.18316	1.4
115.05456	2.4
117.06998	3.0
119.06065	2.7
119.08571	6.8
135.04437	7.5
135.08054	7.9
135.10045	2.1
135.11687	31.7
136.02180	2.4
136.06163	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03941	4.6
55.01866	4.2
55.02195	1.6
55.05502	6.6
65.03932	3.0
67.05507	3.9
68.98282	1.5
69.03435	2.3
69.07076	2.3
71.19746	2.0
71.20087	2.4
79.05495	27.4
81.07059	4.9
91.05487	44.6
93.06472	3.5
93.07048	56.1
95.04980	5.0
103.05492	1.7
105.07027	20.5
107.04977	3.8
107.08599	100.0
109.06512	5.6
115.05495	4.9
117.07004	8.5
119.06088	3.7
119.08603	14.3
120.09403	3.9
125.20968	1.6
133.10097	1.6
135.04434	6.3
135.08063	16.0
135.11707	46.9
136.02174	7.3
136.06184	6.1
153.47707	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	4.1
57.03438	3.2
58.91270	1.5
61.95858	1.2
69.03410	1.4
69.31720	3.1
69.32133	9.1
70.02962	6.7
73.02921	3.2
74.02448	100.0
74.51321	1.4
75.11049	1.5
82.01450	3.8
85.02893	1.8
85.94835	1.3
86.52706	4.5
88.02693	4.1
88.03998	60.1
88.51573	4.0
97.52106	2.1
98.06045	5.0
100.02525	2.5
101.00882	5.7
102.02386	1.8
111.02934	1.3
111.51842	1.4
113.00874	1.4
115.02431	1.5
116.03455	7.1
119.01925	5.0
119.53405	4.1
124.02471	2.2
131.01947	3.2
134.04472	4.2
134.08131	3.8
142.03485	6.4
143.01889	1.7
143.03674	1.7
147.58846	1.3
154.03426	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0813
Annotation	1,4-Dideoxy-1,4-imino-D-arabinitol
Peak:m/z	Relative Intensity
55.01865	1.4
56.05045	4.3
56.96557	2.6
57.03450	6.2
65.52212	0.8
68.05041	3.8
69.03426	2.5
70.06597	33.7
71.04966	1.6
71.05286	0.9
72.08157	2.1
73.02920	8.4
74.02448	8.8
74.06083	36.2
74.40316	0.8
76.15203	0.8
79.02157	1.2
81.50825	1.0
82.01451	2.0
82.99849	1.1
85.02431	1.4
85.02910	16.4
86.52724	1.4
88.02690	3.0
88.03996	0.9
88.07639	3.3
90.09172	2.4
93.01891	2.1
98.06059	100.0
99.04441	1.0
100.02488	2.8
101.00901	8.8
102.01003	1.1
102.02436	4.2
102.09184	1.5
103.03945	16.0
110.52843	5.5
110.97565	1.1
111.02933	3.8
111.21095	0.8
113.00867	1.6
113.53235	1.0
116.07104	17.7
118.03530	1.0
119.01907	6.7
119.53400	12.7
122.53700	1.7
124.02446	4.5
128.53940	1.2
131.01918	2.8
134.08133	26.2
134.11765	7.8
142.03502	10.8
143.03635	1.4
147.46017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03944	0.7
53.52557	0.3
55.05519	1.5
65.03947	0.3
70.06744	1.5
77.03911	0.3
79.05499	4.1
88.97049	0.3
90.75362	0.4
91.05486	12.7
93.07054	4.2
95.04949	0.6
103.05484	1.8
105.07037	35.7
106.07335	0.4
107.08591	0.9
115.05457	4.4
116.06261	0.9
117.07028	4.5
118.07803	5.7
129.07103	0.4
131.08577	5.2
133.10136	100.0
134.10487	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03938	0.9
54.02307	0.3
55.05501	1.3
69.29697	3.1
70.06590	0.4
71.05030	0.4
73.02923	0.5
77.03925	0.6
79.05492	3.3
88.02231	0.4
89.73033	0.4
91.05484	10.6
93.07039	4.5
95.04973	0.6
98.21523	0.8
103.05466	1.5
105.07036	33.6
107.08611	0.6
107.42247	0.4
115.05478	2.6
116.06233	0.4
117.07027	3.9
118.07809	3.2
131.08577	4.3
133.02988	0.3
133.06631	1.7
133.10138	100.0
134.05946	0.4
134.10497	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	L-Aspartate
Peak:m/z	Relative Intensity
56.96564	5.9
57.03426	3.5
60.38415	1.1
61.02925	1.5
64.00349	1.0
66.63354	1.1
69.03448	1.7
69.32092	8.9
70.02956	8.1
70.06578	1.7
73.02902	2.7
74.02444	100.0
77.52162	1.2
81.03412	1.6
82.01437	2.8
82.99859	1.5
84.04515	1.2
85.02923	1.2
86.52705	2.5
88.03997	64.9
88.51590	4.5
93.01913	2.5
95.53210	1.6
97.52095	3.6
98.06050	2.0
98.20751	2.0
98.21356	4.3
99.53487	1.7
100.02471	4.1
101.00877	3.9
102.02430	1.2
106.37267	1.1
106.51156	1.1
109.02861	1.0
111.02943	1.4
116.03452	4.7
119.01923	3.2
119.53403	3.8
124.02451	3.2
131.01923	3.0
134.04483	2.8
134.08183	1.6
142.03514	5.9
143.01909	1.2
151.75523	1.2
151.95341	1.0
154.03485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
55.05500	3.4
60.08838	0.9
67.05497	1.9
67.96680	0.8
69.26879	7.6
69.27279	1.9
70.06587	2.2
70.95792	0.9
73.02918	0.9
79.05488	3.9
88.02217	1.9
91.05484	35.2
93.07045	2.5
103.05501	1.9
105.07034	100.0
117.07041	1.7
118.07803	1.2
131.08588	4.0
133.06529	1.9
133.07596	1.5
133.10138	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03936	1.8
55.05502	2.6
55.47405	0.7
71.54544	0.9
79.05499	7.0
91.05485	24.0
92.06296	0.7
93.07058	4.6
95.04984	0.7
103.05482	5.2
105.03439	0.9
105.07040	76.3
106.07368	1.1
107.08620	0.8
113.30231	0.6
115.05458	4.6
116.06292	0.8
117.07011	5.1
118.07813	6.2
131.08586	6.5
133.02872	1.1
133.06509	11.6
133.10141	100.0
134.10468	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.05519	1.4
65.03933	0.4
67.05495	0.4
69.30289	0.8
69.30692	2.0
77.03931	0.7
79.05493	4.2
91.05483	13.9
93.07044	4.0
95.04969	1.0
103.05463	2.2
105.07034	42.7
106.07339	0.5
107.08598	0.9
115.05463	5.3
115.52779	0.3
116.06253	0.8
116.10050	0.3
117.07019	4.7
118.07811	5.9
129.06973	0.4
131.08569	4.9
133.02881	0.4
133.10135	100.0
134.10460	1.0
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
53.03951	2.7
70.84964	0.5
70.85324	0.3
71.34245	0.3
77.03926	1.0
85.08475	0.7
91.05489	3.8
94.91080	0.3
95.04956	2.9
102.04676	0.9
103.05470	100.0
103.16076	0.2
104.05785	0.8
105.04509	1.3
113.07932	1.1
116.06232	0.8
129.06984	0.7
131.04933	14.5
131.08545	4.4
132.05254	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0704
Annotation	5-Oxohexanoic acid
Peak:m/z	Relative Intensity
51.49162	2.3
53.03944	2.5
55.05501	4.2
56.96568	16.4
57.03436	11.1
57.07072	12.5
59.04985	3.8
65.03928	6.2
67.05508	100.0
69.03407	7.1
69.07059	3.6
70.03749	4.1
70.56638	7.5
71.01321	2.7
71.04996	18.1
73.02885	4.2
78.02831	2.3
83.00751	2.7
83.08620	2.4
84.08128	10.8
85.02908	17.9
85.04830	6.5
85.06544	30.2
85.08490	19.6
86.09699	4.0
91.05476	6.5
95.04971	65.0
95.08609	4.4
97.02921	2.3
98.01266	2.2
98.21445	2.3
98.97585	16.7
102.17363	2.2
103.05465	43.3
110.01318	2.3
113.02357	5.0
113.05249	4.1
113.06018	73.4
113.07249	3.3
113.07928	20.2
116.98598	3.9
119.01814	5.6
128.02336	2.8
131.02480	2.6
131.03430	6.9
131.04944	11.5
131.06921	4.6
131.08902	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	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03951	2.7
53.48930	0.2
55.01894	0.2
57.03444	0.5
69.03440	0.3
70.03760	0.3
70.37199	0.2
71.05011	0.3
71.45876	0.5
77.03943	0.9
81.03451	0.3
84.04537	0.3
84.08155	0.4
85.02923	0.9
85.04845	1.0
85.08463	1.4
86.09710	0.5
91.05482	5.6
95.04977	3.3
102.04702	0.8
103.05477	100.0
104.05839	0.9
105.04495	1.5
113.02367	0.4
113.07953	2.4
115.05476	0.5
116.06259	1.7
129.07040	0.8
131.03403	0.4
131.04938	16.5
131.08548	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42262	0.3
53.03943	3.0
58.20422	0.3
59.62691	0.3
65.01659	0.3
68.13342	0.3
69.39910	2.2
70.67319	0.3
77.03938	1.1
81.03433	0.4
84.04514	0.4
85.04832	0.3
85.08466	0.5
91.05484	2.3
95.04967	2.3
98.20690	0.3
101.82493	0.3
102.04691	0.8
103.05469	100.0
104.05825	0.8
105.04540	1.5
113.07922	0.9
116.06216	0.7
127.31342	0.3
129.06952	0.4
131.04930	14.4
131.08563	2.7
135.33656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0913
Annotation	3-Isopropyl-3-butenoic acid
Peak:m/z	Relative Intensity
53.03941	1.4
55.01881	11.8
55.05517	55.1
56.05025	1.3
59.04992	3.1
67.05499	1.8
69.03449	6.8
69.07076	94.1
69.68840	5.3
71.04990	2.0
73.02914	1.7
73.06553	1.2
83.01355	1.3
83.04961	2.2
83.08627	100.0
84.04515	14.6
84.08155	11.2
87.04480	1.1
87.07623	1.9
87.08118	27.9
93.07040	1.5
101.06004	1.5
105.65240	1.0
111.04453	1.1
111.08088	24.5
111.30804	0.9
112.07612	15.6
128.06184	2.2
129.01857	17.6
129.04388	1.2
129.07048	5.0
129.09123	16.6
130.04980	1.7
130.06529	1.2
130.08640	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	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99296	3.6
53.03945	4.4
53.96139	4.3
54.73800	3.8
57.03411	4.1
69.21043	37.9
70.03754	5.1
77.21703	3.1
84.08121	3.7
85.04801	8.8
85.08477	22.4
85.48641	3.2
91.05486	55.2
95.04968	5.3
103.05468	100.0
112.82993	3.8
113.07965	17.9
115.05468	8.1
116.06252	17.2
129.07010	7.8
131.04944	41.5
131.06952	5.1
131.08537	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.4
51.02378	0.3
53.03941	2.3
55.01862	0.5
67.59179	0.4
69.03442	0.4
70.03771	0.6
70.21984	0.6
70.22356	0.6
75.20683	0.4
77.03943	0.6
81.99635	0.3
84.08141	0.5
84.32176	0.4
85.02919	0.7
85.04852	0.5
85.08471	1.4
87.44306	0.4
91.05473	3.2
95.04977	2.5
98.20898	0.5
102.04715	0.7
103.05472	100.0
104.05808	1.0
105.04531	1.3
113.07922	2.9
113.09641	0.4
116.06214	0.8
119.01792	0.5
129.07010	0.6
131.04939	16.2
131.05931	0.5
131.08519	4.3
146.61484	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.6
56.02211	2.4
57.03424	2.1
68.05044	3.5
69.03440	5.1
70.06584	9.0
71.04980	8.4
71.55126	3.6
80.05014	2.7
82.06583	77.7
83.07329	2.6
83.08614	9.3
83.19413	2.6
84.04529	2.5
90.92943	2.1
100.07619	32.9
110.06032	13.2
110.09653	2.9
126.24687	2.3
128.03438	4.4
128.04285	24.5
128.06219	100.0
128.07097	74.1
128.10698	11.3
128.14389	7.8
129.01848	4.8
129.06972	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	129.0913
Annotation	3-Isopropyl-3-butenoic acid
Peak:m/z	Relative Intensity
55.05519	12.2
57.03430	2.1
57.07067	1.9
59.05009	16.5
65.73036	1.7
67.05509	16.8
69.03420	5.9
69.07073	100.0
71.18705	3.4
74.09705	3.0
76.49082	2.2
79.05495	3.0
81.07068	2.0
81.31615	2.0
83.04957	4.0
83.08624	8.9
84.04516	16.1
84.08153	8.5
85.06540	7.6
87.04453	2.2
97.06516	2.0
111.08054	4.1
112.07632	13.5
129.01862	27.7
129.04330	2.2
129.05464	2.1
129.06999	2.2
130.06525	4.2
130.08632	5.5
130.15889	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	125.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05272	1.3
55.05520	19.9
57.07080	6.6
62.37836	0.8
66.27138	0.9
67.05523	1.2
69.07075	100.0
70.07348	1.0
70.80119	2.3
81.07080	1.3
83.06106	1.4
83.08147	1.4
83.08624	21.5
84.04519	1.3
84.08141	1.5
89.72065	0.9
89.87734	1.0
93.42235	0.8
121.28072	1.0
125.04290	1.4
125.05994	1.3
125.07098	1.8
125.09013	2.3
125.10750	3.1
126.05518	1.5
126.09206	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	126.0552
Annotation	3,6-Dihydronicotinic acid
Peak:m/z	Relative Intensity
53.03951	1.4
55.05509	2.9
58.56816	0.5
63.78790	0.4
65.03949	3.6
67.04251	23.2
71.20046	0.6
71.20393	1.0
80.05019	7.8
80.05807	0.6
81.03415	1.8
81.05818	0.6
82.06584	100.0
83.06921	0.7
83.07368	1.0
84.04512	0.6
84.05309	0.5
84.08169	0.5
87.96185	0.5
108.04488	18.9
109.02879	1.6
125.26835	0.4
126.05515	7.9
126.06381	0.6
126.09160	4.7
127.03923	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	127.0756
Annotation	1-Cyclohexenecarboxylic acid
Peak:m/z	Relative Intensity
50.49443	0.6
53.03954	9.6
55.01878	5.7
55.05517	3.5
57.03441	3.2
57.07070	1.7
57.94545	0.6
59.04999	1.0
65.79449	0.6
67.05511	2.9
69.03439	7.1
70.91922	1.2
71.01325	0.8
71.04995	10.2
79.05495	15.6
81.03426	22.1
81.07063	60.1
82.06541	0.8
83.04992	0.7
83.08634	3.1
84.08128	0.8
85.02888	1.8
85.06550	5.2
97.02901	1.4
99.04462	9.1
99.08099	7.4
109.02886	28.8
109.06523	36.7
109.10123	1.2
112.05215	0.7
127.03928	55.0
127.07561	100.0
128.07082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
55.05514	3.2
56.61703	2.2
57.07073	5.5
62.24416	2.0
66.31382	1.9
67.05508	14.1
70.77731	1.8
79.05492	9.9
80.05028	16.7
81.07060	100.0
82.05302	9.0
88.37803	2.0
93.07040	3.7
95.04951	2.2
95.08617	18.4
96.04485	6.8
111.83119	2.1
123.04591	3.8
123.05558	56.6
123.06429	2.3
123.07993	16.6
123.09205	7.6
123.10049	2.8
123.11713	42.3
124.03973	5.2
124.08699	17.2
133.07355	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	125.0599
Annotation	Orcinol
Peak:m/z	Relative Intensity
53.03941	1.5
55.01872	3.9
67.05489	2.5
69.03434	0.7
69.07071	18.6
69.49965	5.5
69.53029	0.8
71.02552	0.7
75.78940	0.7
77.31205	0.8
79.05061	1.3
79.05495	17.6
95.04980	0.9
97.02885	0.9
97.06536	39.6
105.28473	0.7
107.04954	1.4
125.05994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
50.23577	0.6
53.03952	1.5
55.05516	3.2
57.07078	6.1
67.05505	11.5
69.07063	2.7
69.30486	6.6
72.27661	0.7
76.00620	0.6
78.03459	1.3
79.05496	11.0
80.05020	9.5
81.07060	100.0
82.05336	6.9
82.07388	0.9
83.06093	1.0
93.07024	1.5
95.04967	2.5
95.08610	16.4
96.04497	4.5
105.07024	0.8
106.02914	0.8
108.09348	1.0
113.70941	0.9
121.10109	1.5
123.04610	1.5
123.05556	30.4
123.06496	1.5
123.08015	8.0
123.09187	3.9
123.11711	40.3
124.03959	6.1
124.08723	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	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.9
57.07079	6.1
65.03936	0.8
65.54171	0.8
67.05179	0.9
67.05507	11.4
69.07056	2.8
71.19721	1.8
79.05499	10.6
80.05019	8.0
81.07060	100.0
82.05325	3.0
93.07043	1.3
95.04974	2.0
95.08611	16.8
96.04488	3.8
97.66629	0.9
99.55613	0.7
107.38490	0.9
108.41494	0.8
114.63371	0.7
119.95362	0.8
121.10114	1.4
121.20139	0.8
123.04593	1.4
123.05561	27.1
123.08111	6.6
123.09142	4.7
123.11712	35.5
124.03945	4.3
124.08689	5.6
142.42822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
53.54387	0.5
55.05508	3.5
57.07082	3.9
65.03938	1.5
66.06549	0.6
67.05509	17.1
69.07072	2.5
71.55357	0.7
78.03453	0.9
79.01842	0.7
79.05495	13.5
80.05022	13.7
81.07061	100.0
82.01459	2.0
90.01401	1.1
93.07059	1.7
95.04977	10.1
95.08608	13.5
96.04497	6.8
96.05046	1.0
97.46653	0.5
100.02502	6.2
105.04517	1.0
112.03978	0.8
118.03526	3.3
121.10136	1.6
123.04479	4.5
123.05559	50.8
123.08076	5.7
123.09206	1.4
123.11714	27.7
124.03958	12.4
124.07591	0.8
128.29912	0.6
134.93692	0.6
139.55934	0.6
140.03458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
51.02383	1.3
52.53242	1.0
53.03947	10.4
55.05523	5.4
57.07080	5.0
61.76208	0.8
67.05510	22.6
69.07047	2.9
70.84579	0.8
71.55470	1.3
77.03900	2.3
78.03478	1.2
79.05498	14.1
80.05019	9.3
81.03403	1.8
81.07059	100.0
82.01447	2.5
87.94215	0.9
93.07034	2.4
95.04972	77.1
95.08610	25.3
96.04497	4.1
100.02494	6.7
101.60699	0.9
104.25347	0.9
105.04527	4.7
105.07030	1.5
108.05736	1.4
112.03956	1.2
113.17085	0.9
118.03503	1.8
121.10139	1.1
123.04437	22.2
123.05550	35.3
123.08070	17.6
123.11703	34.8
123.12587	2.0
124.03958	4.1
137.64203	0.8
139.87402	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03943	3.7
55.05513	7.9
56.40894	1.1
57.07071	4.7
60.07875	1.0
65.03951	1.7
67.05509	34.5
67.46809	0.9
69.07062	2.4
71.25021	2.5
76.47390	1.0
77.03905	1.3
78.03488	1.1
79.05495	15.0
80.05021	7.1
81.07063	78.8
81.57322	1.0
82.01428	1.6
91.05510	1.3
93.07048	10.0
95.04982	13.4
95.08614	44.7
96.04472	2.4
97.16516	1.0
100.02532	1.5
105.07028	10.7
107.04972	4.5
108.05756	23.2
118.03549	1.6
121.06506	4.0
121.10217	1.6
123.04449	5.0
123.05574	27.3
123.08083	100.0
123.11716	30.8
124.03958	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.0
55.01852	1.5
55.05507	5.6
57.07069	4.9
65.03934	1.2
67.05172	2.2
67.05513	33.3
69.07081	2.1
69.89962	6.2
76.61306	1.1
77.03916	1.9
78.03465	2.5
79.05498	20.8
80.05023	26.7
81.07063	100.0
82.01437	6.1
93.07044	4.5
95.04978	83.0
95.08615	30.9
96.04505	10.9
98.20801	1.5
100.02497	17.8
105.03391	2.1
105.04539	4.4
105.07029	2.8
108.05755	3.3
112.03949	2.0
118.03531	6.1
119.01911	1.3
123.04447	42.5
123.05563	86.1
123.08071	39.3
123.11717	32.1
124.03958	16.7
124.07623	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03936	2.7
53.81152	0.9
53.89821	0.9
55.05504	3.4
57.07082	4.5
64.35646	0.9
67.05507	13.8
69.07073	1.6
69.36462	8.2
70.87878	1.0
79.05492	10.9
80.05014	4.4
81.07062	100.0
82.01447	5.4
93.07069	1.0
94.07832	1.0
95.04951	3.3
95.08619	11.0
96.04495	3.2
100.02485	11.9
118.03543	2.5
121.10117	1.2
123.05557	18.2
123.08070	3.2
123.11718	25.6
124.03941	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.3
56.96560	2.8
57.03413	5.1
58.40028	1.8
58.99850	1.9
61.02908	3.4
61.21712	1.5
67.05474	1.7
67.40074	1.5
69.03416	2.7
69.25243	1.8
69.64088	8.0
70.51939	1.6
72.05367	1.6
78.06329	7.8
81.01904	2.3
82.01449	46.5
82.99826	2.1
84.08150	2.6
85.02923	2.5
86.59901	2.0
88.02659	2.7
95.04943	3.3
96.08439	1.9
97.01450	1.8
97.02902	3.6
100.02489	100.0
101.00890	10.6
102.02361	4.3
111.02908	5.1
113.00861	3.8
117.10240	1.9
118.03542	28.6
119.01926	12.1
120.02007	2.1
123.05566	8.9
124.02435	3.0
124.03945	4.7
131.01897	6.6
142.03520	4.1
143.01897	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	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03949	7.4
55.01872	2.0
55.05273	1.4
55.05514	16.4
57.07067	4.9
64.70553	1.1
65.03937	2.9
67.05509	81.2
69.03431	1.3
69.07049	1.7
69.58750	5.0
69.59158	3.0
78.03440	1.7
79.05491	17.4
80.05032	13.6
80.06281	2.1
81.03445	2.4
81.07062	74.8
82.01462	2.2
91.05479	2.7
93.07050	15.2
95.04981	29.5
95.08611	100.0
96.04493	5.8
100.02464	7.1
105.07034	8.3
107.04980	2.3
108.05746	13.9
118.03520	2.2
121.06546	2.1
123.04451	12.5
123.05563	49.5
123.08074	63.7
123.11717	32.1
124.03960	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	123.0808
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03951	7.7
55.01877	4.2
55.05271	0.9
55.05516	13.9
57.03435	1.2
57.07070	2.3
65.03926	3.5
67.05509	66.5
69.07069	1.2
70.19447	2.1
77.03907	1.3
78.03455	1.5
79.05496	51.4
80.05023	15.5
80.06252	0.8
81.03449	4.6
81.07062	100.0
82.01440	2.0
91.05482	2.9
93.07056	15.5
95.04975	29.3
95.08611	91.0
96.04499	7.0
98.20773	1.0
100.02492	9.8
103.05481	2.0
105.04511	1.5
105.07040	11.0
106.02909	1.2
108.05764	4.2
112.03983	1.1
118.03532	3.3
123.04462	8.9
123.05560	56.0
123.08072	75.8
123.11713	18.8
124.03966	11.1
124.07663	1.2
132.17784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02385	1.8
53.03951	18.1
54.73040	0.8
55.01884	1.9
55.05504	2.2
57.03421	0.8
65.03944	1.6
67.05511	0.8
69.97480	0.8
71.38679	1.1
77.03933	4.3
79.05499	34.1
81.03436	1.6
81.07068	1.2
86.96078	0.8
91.04912	1.7
91.05488	45.1
93.07049	66.3
94.07408	1.1
95.04977	16.1
102.04688	0.9
103.05476	53.5
105.04526	9.7
105.07038	84.1
106.07858	5.9
119.08582	13.4
120.05726	1.0
121.06515	100.0
121.10148	66.9
122.06877	1.4
122.10527	0.8
123.08076	9.7
133.07614	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03951	11.7
55.05521	6.9
61.10253	1.5
62.35884	1.1
67.05498	2.3
70.99377	3.6
77.03942	1.7
79.05500	51.2
80.06287	1.9
81.07063	3.2
91.04915	1.2
91.05491	37.9
93.07049	100.0
94.07384	1.5
95.04973	10.7
103.05480	12.9
105.04548	5.9
105.07039	94.3
106.07864	6.5
115.32462	1.2
119.08591	11.7
121.06523	17.8
121.10152	78.6
123.08091	9.3
132.41087	1.2
133.07613	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10453	0.9
57.64066	0.8
58.99874	1.4
70.94981	2.4
82.01454	54.1
82.99841	1.5
90.77026	0.9
98.54954	1.0
100.02493	100.0
101.00890	7.7
101.02586	1.0
102.03060	1.0
118.03531	28.2
119.01945	13.5
125.35163	0.9
137.03017	2.2
142.03500	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01608	1.2
51.02377	2.4
52.89143	0.7
53.03950	26.3
53.66297	0.7
55.01873	3.9
61.06993	0.9
62.90226	0.8
65.03941	1.9
71.42145	1.2
77.03930	6.5
79.05498	2.0
81.03416	2.5
88.09515	0.7
91.05489	72.3
93.07050	100.0
94.07391	1.0
95.04975	22.5
103.05475	21.0
105.04521	13.1
105.07028	3.3
121.02863	0.8
121.06513	53.1
121.10159	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02372	1.2
53.03949	13.0
55.01862	2.2
55.05506	0.7
65.03929	1.5
67.05494	1.3
69.69050	0.9
69.69344	3.5
76.41908	0.6
77.03944	2.9
79.05495	7.6
81.03393	1.2
87.25168	0.5
91.05484	42.0
93.07047	52.6
94.04208	0.7
95.04967	13.8
98.21483	1.0
103.05471	48.5
104.05798	0.8
105.04513	7.1
105.07029	9.1
106.07835	0.8
119.08602	1.8
121.02946	1.1
121.06509	100.0
121.10140	9.2
133.07664	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.4
53.03714	1.6
53.03949	26.7
54.53062	1.0
55.01880	2.3
65.03936	1.0
69.23586	10.7
77.03934	5.3
78.04713	1.0
79.05486	3.4
81.03417	2.1
91.04893	2.2
91.05482	75.1
93.07044	100.0
95.04968	22.1
103.05468	17.8
105.04519	12.4
105.07011	6.2
121.02882	1.8
121.06506	47.3
121.10108	6.9
128.99907	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03941	5.0
55.05515	6.9
63.03618	1.1
65.03936	1.7
67.05512	58.2
67.34359	1.0
77.03942	1.7
79.05502	100.0
80.05830	1.2
91.05499	12.8
93.07055	96.8
95.04965	4.4
103.05473	1.9
105.04551	2.1
105.07024	7.4
113.85121	1.3
119.08588	1.7
121.02894	1.5
121.06531	4.8
121.10154	74.2
129.21564	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03922	2.8
65.03924	2.7
66.63870	1.4
71.27691	1.9
79.05481	4.9
86.03752	1.4
91.05486	74.0
93.07020	5.5
93.07587	1.5
95.04980	1.8
101.26883	1.4
103.05487	7.9
104.06253	8.1
105.04519	1.9
115.05447	4.4
117.07023	22.5
119.06041	6.9
119.08566	100.0
126.52335	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.94508	0.5
53.03949	1.3
65.03936	2.2
70.94821	1.5
78.04726	0.9
79.05499	8.6
91.05484	100.0
93.07047	3.6
95.04946	1.5
103.05474	8.2
104.06258	7.7
105.04530	0.6
109.06467	0.8
115.05459	3.4
115.09863	0.7
117.07024	24.8
119.04933	1.0
119.06157	1.3
119.08587	81.7
120.08892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03936	1.5
55.05498	0.7
58.96490	0.6
65.03940	2.6
66.68974	0.6
71.45164	1.3
79.05505	5.2
90.10550	0.6
91.05485	70.4
93.07049	3.3
95.04951	1.8
103.05480	7.2
104.06250	6.8
105.04521	1.1
115.05453	3.0
117.07021	16.6
119.04966	2.3
119.08586	100.0
123.62157	0.8
134.16139	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02374	0.9
51.16935	0.9
53.03935	1.7
54.48215	0.7
61.64031	0.6
65.03938	2.0
69.18626	7.8
78.19779	0.7
79.05501	4.3
91.05487	72.1
93.07040	5.1
95.04971	0.9
103.05464	10.1
104.06245	7.3
109.06551	1.4
115.05494	2.9
117.07024	34.0
119.04981	1.6
119.08590	100.0
130.69315	0.8
131.06090	0.8
133.79984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02378	4.1
53.03953	39.6
55.01863	3.6
58.06594	2.3
60.95705	2.3
67.41872	2.0
69.54089	14.4
70.06573	4.4
72.08155	16.5
76.93374	8.4
77.03921	8.0
81.03423	4.4
83.91770	3.0
87.04480	3.7
91.05466	7.5
95.01628	2.4
95.04974	40.9
105.04523	16.4
113.21998	2.1
117.99120	2.1
118.06552	100.0
118.08648	11.8
119.08609	4.5
134.51567	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.2
56.05038	1.9
56.05837	4.4
56.75666	1.2
56.96297	1.6
56.96572	32.3
57.03426	4.2
58.06572	1.6
59.05008	1.3
59.06926	1.1
60.05329	1.6
60.07705	2.1
61.02931	2.9
65.03937	1.7
65.49502	5.6
67.05499	3.4
68.00268	1.7
69.03436	12.9
70.06599	2.1
71.02986	5.0
71.05000	1.7
71.18891	2.4
72.08163	8.0
73.02929	6.3
73.08485	24.8
74.06081	3.9
74.50031	24.7
77.00816	1.6
78.52962	4.0
81.03416	3.4
82.01454	10.3
82.02711	1.4
82.99828	3.3
83.00784	1.7
83.50545	27.9
83.51011	2.0
84.01184	1.9
84.08125	2.9
84.52995	1.5
85.01398	1.9
85.02909	3.9
85.53737	2.3
86.51833	4.2
86.52705	2.8
87.00842	2.0
87.02448	3.1
87.53513	2.6
88.04813	1.5
89.00802	2.7
91.05482	28.0
92.51068	5.1
93.53457	2.9
95.52355	24.4
96.01553	2.0
97.02906	3.1
98.01301	2.0
98.97603	9.6
100.02489	26.7
101.00890	30.5
101.02572	7.8
102.02251	6.2
102.06300	2.7
103.02484	1.8
104.52174	2.7
104.52875	55.2
105.02074	1.4
105.03047	2.6
107.53199	1.9
110.01299	2.3
113.53410	7.7
116.03742	1.6
116.98618	3.4
117.03880	1.7
118.03545	11.7
119.01929	100.0
119.04929	3.7
119.06101	2.8
119.09113	10.1
120.01983	2.6
120.03288	2.0
121.03555	2.0
128.98555	1.6
129.03984	1.5
131.01920	4.4
133.03500	2.9
137.02972	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	4.1
53.03953	39.6
55.01863	3.6
58.06594	2.3
60.95705	2.3
67.41872	2.0
69.54089	14.4
70.06573	4.4
72.08155	16.5
76.93374	8.4
77.03921	8.0
81.03423	4.4
83.91770	3.0
87.04480	3.7
91.05466	7.5
95.01628	2.4
95.04974	40.9
105.04523	16.4
113.21998	2.1
117.99120	2.1
118.06552	100.0
118.08648	11.8
119.08609	4.5
134.51567	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	116.071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	0.4
58.06617	0.3
58.75550	0.2
68.05021	0.3
70.06596	100.0
70.27945	0.6
80.77160	0.2
83.50117	0.2
84.04527	0.2
88.07613	0.2
116.07099	15.3
116.10736	6.1
123.18824	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	D-Proline
Peak:m/z	Relative Intensity
58.06593	0.3
68.05037	0.3
70.06596	100.0
70.86750	0.2
71.06924	0.4
88.07651	0.1
100.31805	0.1
116.07100	15.8
116.10738	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	1176.5897
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04992	8.4
91.05482	16.4
93.07047	5.4
95.04967	8.6
95.08598	2.9
97.06541	1.0
103.05463	2.9
105.03398	21.5
105.04498	1.0
105.06382	1.0
105.07031	10.9
105.07687	1.0
107.04959	3.4
107.08612	5.8
109.06511	3.4
109.10156	1.5
115.05462	6.2
116.06230	1.8
117.07024	11.5
119.04942	1.2
119.08588	16.3
120.08935	0.5
121.06477	3.0
121.10127	2.9
123.08106	1.2
127.05418	0.6
128.06230	4.9
129.07008	12.2
130.07791	1.8
131.04961	1.2
131.07584	0.9
131.08569	14.4
131.09515	0.9
132.05746	1.1
133.06502	2.5
133.10132	10.9
135.08060	6.1
137.09651	1.8
141.06989	3.7
142.07759	4.8
143.08575	9.5
144.05695	1.9
145.06494	12.1
145.10135	11.3
145.11275	0.6
146.07182	1.0
147.08054	45.9
147.11696	1.9
148.08342	0.6
149.09624	6.1
151.11177	0.6
152.06178	0.8
153.07007	1.5
153.09082	0.6
154.07787	1.1
155.06020	1.0
155.08540	4.4
156.09338	7.3
157.06540	1.2
157.10138	20.1
158.07314	2.0
158.10638	0.7
159.08064	32.5
159.11687	14.0
160.08478	0.6
161.05997	0.9
161.08504	0.4
161.09624	23.7
161.13297	1.6
163.07547	37.9
163.11172	1.3
165.07063	2.1
165.09108	1.4
167.08582	2.3
167.10687	0.6
168.09341	1.5
169.06448	0.6
169.10136	9.5
170.10916	5.6
171.08051	6.9
171.11702	30.0
172.08849	1.0
172.12276	0.7
173.05997	3.8
173.09639	14.1
173.13263	5.5
175.07541	6.8
175.11179	4.0
175.14902	1.1
177.09209	1.1
179.08582	2.2
179.10703	2.3
180.09357	1.5
181.10095	4.1
182.07263	0.7
182.10912	0.8
183.08099	1.6
183.11714	17.8
184.08879	1.4
184.12224	0.6
185.09648	9.2
185.13263	25.8
186.13557	1.0
187.07593	2.8
187.11171	7.7
187.14775	1.3
189.09117	3.8
189.12793	2.4
191.08746	0.7
191.10695	2.1
192.09364	1.3
193.10150	3.0
193.12175	1.0
194.10936	1.2
195.11707	5.2
196.08875	1.0
197.09615	5.6
197.11246	0.6
197.11565	0.7
197.13258	5.4
198.10435	1.9
199.07669	0.8
199.11192	12.3
199.15022	0.5
200.12000	1.3
201.09131	4.6
201.12761	5.2
203.08778	1.0
203.10728	2.3
203.14340	2.5
205.10284	0.9
205.12286	1.7
206.10962	1.5
207.11708	3.5
208.12442	1.1
209.09618	3.0
209.13251	3.1
211.07678	0.8
211.11195	5.1
211.14725	0.6
213.09456	1.0
213.12747	17.3
215.10674	3.1
215.14401	1.6
217.08521	1.2
217.10341	0.8
217.12198	5.6
218.10838	0.9
219.10013	0.9
219.11864	1.2
219.13684	0.9
220.12511	1.0
221.09605	1.4
221.13287	3.8
222.10464	1.3
223.11238	3.6
223.14853	2.3
225.09198	1.2
225.12737	2.8
227.10760	2.2
229.10278	0.9
229.12212	4.8
230.10890	1.0
231.10043	1.1
231.11795	1.2
231.13776	13.1
232.12439	1.0
233.09615	1.1
233.11482	0.8
233.13333	1.6
233.15414	3.9
235.11188	1.7
235.14813	1.3
237.12758	3.2
237.16496	0.9
239.10703	2.1
241.12204	5.6
243.11781	0.8
243.13841	5.2
244.12445	1.3
245.11427	3.4
245.13194	0.6
245.15381	9.4
246.10289	1.1
247.11098	1.1
247.12997	1.1
247.14952	1.8
248.11932	0.7
249.12740	2.2
249.14879	1.3
251.10684	1.2
251.14354	2.0
253.12366	1.1
255.11551	0.9
255.13907	2.1
256.12506	1.0
257.09570	0.6
257.13257	1.5
257.15469	1.3
258.14001	1.2
259.10910	1.3
259.13138	9.2
260.11835	1.1
260.15710	0.8
261.12714	2.5
261.14682	0.7
262.13544	0.9
263.16446	4.4
265.12241	1.3
265.15878	1.0
267.13943	0.9
268.12411	0.8
269.13168	0.9
270.13983	1.0
271.11087	1.2
271.14719	2.0
272.11853	1.1
272.15509	0.5
273.12509	1.1
273.14841	7.0
274.13428	0.8
275.14371	3.7
277.14255	5.5
279.10272	1.1
279.13843	1.7
282.10336	0.6
283.11160	0.9
283.14819	1.6
284.15558	1.3
285.12769	2.1
285.16284	0.8
286.13593	1.7
286.16913	0.9
287.11380	0.6
287.14340	3.2
287.17795	1.1
288.15085	1.0
289.12048	0.7
289.16309	2.6
291.16000	5.1
293.15436	1.1
297.12698	2.1
298.13535	1.1
298.17105	0.8
299.14374	2.5
299.17682	1.0
300.15125	2.0
301.12820	0.6
301.15820	3.0
302.16537	1.0
303.13797	1.8
303.17340	1.3
305.15518	0.9
305.19095	0.6
307.15628	1.7
308.09122	0.7
311.14221	1.2
312.15073	2.4
313.12769	0.6
313.15683	2.4
314.16772	1.2
315.17401	5.6
316.18344	0.8
317.11795	1.2
317.15421	1.4
317.19043	4.4
319.16870	0.7
326.16663	1.6
327.17404	5.4
328.18347	1.5
329.15448	1.2
329.18964	2.5
331.16992	1.2
331.20590	1.6
333.14825	0.9
333.18494	2.0
335.16467	1.0
335.20203	0.8
341.19116	4.0
342.16296	0.7
343.16986	0.9
345.14777	1.2
345.18594	4.9
346.19025	0.8
347.16467	1.1
347.20203	0.8
351.19696	1.0
354.16013	0.8
357.18689	1.9
359.20099	4.9
361.17786	1.1
363.19736	1.8
369.18594	2.3
375.19464	3.2
377.21252	5.2
379.18954	0.9
381.20609	0.7
387.19513	12.0
389.21310	3.9
391.22687	3.3
393.20526	1.8
401.21249	3.4
405.20648	20.2
406.21048	0.8
407.22183	5.9
409.23926	1.6
411.21747	1.3
419.22260	17.4
420.22556	0.8
423.21701	19.9
424.22168	1.1
425.23206	1.4
437.23260	27.6
438.23438	0.7
441.22589	0.7
447.21756	1.6
455.24335	11.8
465.22772	7.5
483.23834	10.0
519.27380	1.7
523.26959	18.0
524.27014	0.9
527.24634	1.4
537.28491	7.9
545.25439	1.8
555.29553	100.0
556.29834	5.0
569.25610	0.9
587.26434	8.6
605.27472	37.4
606.27759	1.4
717.12506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1145.6576
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05490	5.0
81.03423	5.5
81.07057	3.4
91.05483	19.2
93.07044	5.0
95.01344	1.2
95.04977	8.5
95.08611	3.3
97.06525	1.5
103.05474	52.7
105.04499	1.7
105.07037	11.6
107.04948	3.2
107.08593	5.5
109.06522	2.6
109.10165	1.2
115.03913	0.9
115.05470	6.8
116.06248	1.0
117.07029	11.4
119.04960	0.8
119.07805	1.0
119.08597	15.8
121.06513	2.6
121.10146	3.5
123.08121	1.4
128.06232	5.0
129.07010	11.9
130.07805	2.7
131.04936	100.0
131.08568	11.7
132.05261	2.1
133.06496	2.9
133.10130	12.2
135.08047	4.9
135.11760	0.8
141.07002	4.2
142.07791	5.1
143.08572	11.8
144.05763	1.2
144.09337	1.3
145.06482	10.0
145.10123	8.2
146.07300	0.7
147.08052	42.5
147.11691	2.7
149.09641	4.7
153.07018	1.6
153.09093	0.7
154.07782	1.1
155.06038	0.9
155.08540	4.3
156.09352	7.1
157.06523	1.6
157.10139	19.6
158.07327	1.5
158.10921	0.7
159.06827	1.3
159.08069	18.9
159.11691	13.5
161.06023	1.3
161.09627	19.0
161.13249	0.9
163.07553	35.0
163.11197	2.3
165.07036	1.9
165.09183	0.9
166.07788	1.0
167.08582	2.1
168.09335	1.3
169.10126	10.2
170.10924	5.4
171.08080	3.6
171.11696	31.6
173.05998	2.7
173.09634	14.1
173.13277	6.0
175.07568	7.6
175.11192	3.3
175.14853	0.9
177.09232	1.2
179.08618	1.2
179.10680	1.4
180.09291	1.5
181.10136	3.1
182.11049	1.3
183.08083	1.8
183.11713	25.2
185.09673	7.0
185.13260	25.3
186.13707	0.8
187.07590	2.4
187.11192	6.0
187.14830	1.3
189.09158	2.4
189.12717	1.5
191.10706	1.4
193.10167	2.2
193.12083	0.8
194.10913	1.5
195.11705	6.4
196.12558	0.8
197.09647	4.5
197.11577	1.4
197.13249	8.2
198.10446	0.8
199.11162	8.8
201.09096	4.7
201.12749	6.1
203.10635	1.0
203.14352	1.3
205.10408	1.4
205.12289	3.3
206.10902	2.5
207.11772	4.1
207.13461	0.9
209.09718	1.7
209.13315	3.3
211.11235	4.5
211.14780	1.1
213.09276	1.1
213.12752	19.1
215.10657	3.8
215.14325	2.1
217.10249	1.4
217.12262	2.8
218.11017	1.5
219.11787	1.5
219.13840	1.0
220.12436	1.4
221.13254	3.4
223.11189	4.7
223.14781	3.3
225.09282	0.9
225.12793	3.2
225.16447	1.4
227.10721	2.2
229.10213	1.3
229.12184	4.2
231.11888	1.2
231.13846	5.8
232.12415	1.7
233.13420	1.6
233.15430	3.0
234.14006	0.9
235.11253	1.3
235.14899	1.6
237.12762	2.4
237.16507	1.0
239.14458	1.0
241.12245	5.4
242.10809	1.0
243.11769	1.3
243.13863	6.1
244.12483	1.4
245.09607	1.0
245.13188	1.2
245.15388	16.5
247.11197	1.4
247.15077	1.6
249.12778	2.6
249.16449	0.8
251.14404	1.2
253.12610	0.8
255.11618	1.2
255.13841	7.6
256.12625	0.9
257.13229	1.6
257.15561	1.6
258.13901	0.8
259.11063	1.0
259.13263	7.5
261.12677	2.0
263.10944	0.7
263.14029	1.3
263.16443	3.7
269.13306	1.4
270.14014	0.8
271.10974	1.2
271.13699	0.7
272.15714	0.8
273.12573	1.2
273.14880	13.0
274.13474	1.5
275.10587	0.8
275.14291	2.0
277.12173	0.7
277.15982	1.0
283.11261	1.0
283.14761	1.5
284.15744	1.0
285.12729	2.9
285.15817	1.0
286.13602	1.4
287.14413	2.2
287.17682	1.0
288.15164	1.1
289.14569	1.2
291.15842	6.2
297.12689	2.2
298.13489	1.6
298.16974	1.1
299.14362	2.1
300.15115	1.5
301.15912	2.2
303.17224	0.9
309.22119	2.5
311.14297	1.5
312.15085	1.5
313.16052	1.7
315.17404	4.2
317.15793	1.0
317.18936	4.3
326.16544	1.5
327.13937	1.2
327.17450	6.2
327.23209	3.1
328.18140	1.8
329.19006	2.4
331.20688	1.3
333.18472	1.8
341.18964	4.7
345.18555	5.1
346.19077	1.0
357.18469	2.1
359.20108	7.4
361.17896	1.5
363.19162	1.1
369.18359	3.4
375.19592	2.6
377.21057	2.0
379.18918	1.6
387.19583	10.6
388.19879	0.8
389.21146	5.3
391.22656	5.4
401.21255	10.5
405.20535	5.8
407.22189	4.6
409.23746	2.2
413.25052	0.8
419.22189	35.4
433.31305	1.7
437.23224	16.4
447.21786	0.8
451.32260	1.8
461.23312	1.5
465.22729	4.4
465.33908	1.6
469.33029	0.9
479.24356	6.9
483.34811	1.4
497.25391	8.1
532.04993	0.8
552.44922	0.8
560.12018	1.0
567.27808	2.2
613.28009	15.5
627.29590	6.9
645.30701	13.6
646.30829	1.1
935.35242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1134.6376
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05495	10.5
81.03411	2.8
81.07061	13.8
83.04975	2.0
83.08616	1.3
85.02917	1.0
85.06573	1.1
91.05484	11.4
93.07050	14.3
95.04980	6.1
95.08617	13.8
97.02885	3.3
97.06554	0.9
98.97598	1.0
103.05473	56.0
105.04531	1.3
105.07025	9.1
105.72112	0.7
107.04970	1.8
107.08608	9.7
109.06531	2.0
109.10153	8.3
111.08070	1.0
115.05462	2.1
116.06244	0.8
117.07034	8.6
119.08600	11.6
121.06561	1.9
121.10148	9.8
123.08061	1.1
123.11697	4.2
128.06230	2.4
129.07016	6.5
130.07817	0.8
131.04938	100.0
131.08578	11.2
133.06462	1.1
133.10149	9.8
135.08072	2.7
135.11705	6.1
137.09647	1.3
137.13281	2.1
139.11237	0.8
141.07005	2.2
142.07761	1.9
143.08574	4.9
144.05733	0.9
145.06516	5.0
145.10143	9.1
147.08061	25.6
147.11684	4.0
149.09673	3.3
149.13278	5.1
155.08582	2.2
156.09381	3.5
157.10150	10.0
158.07289	0.9
159.08072	14.5
159.11696	10.7
161.05951	1.2
161.09641	12.2
161.13235	3.7
163.07553	21.1
163.11249	2.0
163.14812	4.5
165.06999	0.9
167.08495	0.9
169.10100	3.7
170.10889	1.5
171.08107	2.1
171.11708	15.5
172.12213	0.7
173.06049	2.6
173.09654	7.9
173.13263	6.5
175.07538	2.4
175.11147	1.7
175.14842	1.4
177.08977	0.9
177.12804	1.1
177.16341	1.5
179.08687	1.2
181.10126	1.5
183.08122	0.8
183.11667	9.4
184.08838	0.8
185.06126	0.7
185.09705	3.5
185.13271	14.4
187.07562	1.5
187.11185	3.7
187.14865	2.7
189.09149	1.4
189.12741	1.6
191.10783	1.2
193.10168	1.4
195.11670	1.4
197.09669	2.2
197.13258	3.4
198.10455	0.7
199.11247	5.2
201.09094	2.5
201.12737	3.2
201.16318	1.1
203.10683	1.0
203.14264	1.8
207.11694	1.3
209.09589	0.8
209.13300	1.4
211.11218	2.3
213.12726	9.0
215.10747	1.0
215.14249	1.2
215.17897	1.0
217.10425	0.9
217.12273	2.5
219.13812	1.1
221.13370	1.4
223.11208	1.3
223.14772	0.8
225.12830	1.3
227.10684	1.9
229.12283	2.1
231.13805	3.5
233.15428	2.5
235.14816	1.1
237.12799	1.6
241.12279	2.9
243.13831	2.4
243.21103	10.5
243.23386	1.1
245.13170	1.3
245.15349	7.3
247.10939	1.0
247.15010	1.1
249.12775	1.1
251.14247	1.1
255.13922	1.4
257.15515	0.9
258.74539	0.7
259.13223	4.0
261.14929	0.9
261.22168	27.6
263.14075	0.8
263.16498	2.4
273.12421	1.0
273.14835	4.6
275.14249	1.0
277.15836	0.7
279.23254	1.0
287.14328	2.1
289.15988	0.9
291.15854	5.9
297.12781	1.5
301.15619	0.7
312.15204	1.4
313.15753	1.4
315.17450	3.4
317.18777	2.5
327.17331	3.2
328.18015	1.3
329.19131	1.1
331.20645	1.2
333.18549	1.8
335.25818	10.3
341.19089	1.8
345.18478	1.9
353.26892	27.4
357.18753	0.8
359.20090	2.4
361.18176	0.9
363.19562	1.3
369.18359	1.2
375.19522	1.2
377.21036	0.9
387.19528	2.8
389.21072	3.3
391.22696	2.2
393.20636	1.0
401.21091	3.3
405.20593	4.4
407.22299	2.7
409.23691	1.6
411.21671	2.5
419.22186	16.1
423.21918	3.3
437.23270	28.2
437.29404	1.5
438.23822	0.9
455.24344	19.1
456.24710	0.9
496.41425	0.7
497.31155	1.9
534.29730	1.0
537.30457	5.9
538.30676	5.6
553.26373	1.3
567.27374	1.6
571.27100	8.2
585.28394	8.2
603.29541	77.4
604.29279	3.6
608.67737	0.7
747.21973	0.9
810.02246	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.5832
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05498	2.7
81.03412	3.4
81.07056	2.7
83.04983	14.0
88.97353	0.2
91.05485	11.2
93.07048	5.0
95.01311	0.4
95.04971	4.6
95.08609	2.3
97.06538	1.2
103.05471	1.5
105.04542	0.3
105.07036	8.4
107.04966	1.5
107.08597	4.2
109.06531	2.8
109.10158	1.8
111.08099	0.7
115.05459	3.4
116.06279	1.1
117.07023	4.4
119.04957	0.6
119.08582	11.0
121.06515	1.9
121.10145	2.3
123.08083	1.6
127.05483	0.3
128.06223	4.6
129.07013	5.8
130.07780	1.3
131.04950	0.9
131.08580	6.5
131.09520	0.5
133.06497	1.9
133.10136	6.9
135.08037	2.3
135.11674	0.6
137.09642	1.5
141.06992	3.5
142.07800	3.9
143.08569	5.8
144.05748	0.8
144.09361	0.9
145.06506	3.3
145.10127	4.9
146.07268	0.7
147.08051	16.6
147.11714	1.2
149.05975	0.3
149.09624	2.9
151.11134	0.2
152.06274	0.5
153.06985	2.2
154.07777	1.0
155.04901	0.3
155.06047	0.5
155.08543	3.8
156.09352	3.1
157.06482	1.0
157.10132	6.3
158.07254	1.1
158.10916	0.5
159.08063	7.4
159.11688	2.8
160.08665	0.3
161.09624	10.8
163.07562	1.4
163.11182	1.2
164.70372	0.2
165.07004	4.9
165.09120	3.5
165.53079	0.2
166.07800	2.5
167.08562	3.6
167.10651	0.3
168.09340	1.5
169.06458	1.3
169.10115	3.7
170.07266	0.5
170.10907	1.0
171.08060	5.5
171.11684	5.3
172.08856	0.9
172.12288	0.3
173.05998	1.1
173.09633	7.3
173.13255	1.8
174.10231	0.3
175.07562	1.3
175.11147	1.9
178.07771	1.3
179.08557	3.1
179.10683	2.3
180.09332	3.0
180.30139	0.2
181.06494	0.8
181.10121	3.5
182.07295	0.8
182.10918	1.5
183.08101	1.7
183.11685	5.4
184.08795	1.1
185.09627	5.8
185.13231	2.6
186.10356	0.4
187.07622	1.1
187.11186	3.4
187.14806	0.8
189.06947	0.3
189.09151	1.1
189.12767	0.6
190.07823	0.9
191.08624	1.0
192.09274	1.5
193.10150	3.8
193.11942	0.3
194.07347	0.6
194.10921	1.3
195.08073	1.8
195.11697	4.8
196.08850	1.6
196.12471	0.7
197.09613	4.8
197.13268	3.6
198.10376	1.0
198.11987	0.3
199.11206	5.9
200.12006	0.5
201.09154	0.7
201.12767	1.9
202.07806	0.9
203.08553	1.3
203.10706	0.6
204.09346	1.0
205.10165	2.2
206.10916	1.3
207.08101	0.6
207.11707	3.2
208.08788	2.0
208.12491	0.9
209.09618	4.3
209.13208	1.4
210.10353	1.4
211.11195	6.5
211.14630	0.3
212.11819	0.4
213.09178	0.7
213.12726	4.3
215.08597	1.5
215.10724	1.1
215.14250	2.2
216.09390	1.2
217.10165	2.2
217.12285	0.7
218.07382	0.4
218.10873	1.2
219.08099	0.9
219.11673	2.3
220.08881	0.6
220.12444	1.3
221.09645	2.1
221.13240	2.0
222.10426	0.8
222.13881	0.3
223.11188	11.1
223.14856	0.9
224.11812	0.8
225.09221	0.5
225.12791	2.7
226.07648	0.4
227.08652	0.6
227.10687	0.8
227.14241	0.4
228.09323	0.5
229.10106	2.3
229.12305	3.4
230.10909	2.5
231.08023	0.8
231.11710	3.0
231.13867	1.1
232.08900	0.8
232.12425	1.4
233.09683	1.7
233.13284	2.1
233.15295	0.5
234.10399	1.0
234.14066	0.8
235.11180	3.2
235.14795	1.9
236.11925	0.3
237.09142	1.2
237.12741	2.7
239.08569	0.8
239.10739	1.0
239.14268	0.8
240.09402	1.0
241.10146	1.1
241.12309	0.9
242.10851	1.3
243.08047	0.4
243.11703	2.4
243.13913	1.5
244.08957	0.5
244.12466	1.9
245.09692	1.6
245.13307	3.3
246.10367	1.2
246.14001	1.3
247.11221	2.7
247.15047	1.6
248.11897	1.3
249.09241	0.4
249.12782	2.8
249.16464	0.9
250.13527	0.5
251.10812	0.6
251.14294	0.8
252.09392	0.4
253.10092	1.4
253.15953	0.5
254.10956	1.1
255.11729	2.2
256.12408	1.5
257.09604	1.0
257.13306	2.3
258.10364	1.7
258.14072	1.0
259.11139	3.0
259.15137	1.6
260.11942	2.4
260.15506	0.7
261.12704	3.8
261.14954	0.3
261.16751	0.4
262.10114	0.3
262.13498	1.2
263.10767	0.9
263.14362	3.7
264.15039	0.4
265.09937	0.5
265.12317	0.6
265.15930	0.8
266.10876	0.7
267.11551	1.6
268.12442	1.4
269.09619	0.7
269.13269	2.1
270.10574	0.5
270.14029	1.9
271.11313	2.1
271.14621	1.9
272.11993	2.3
272.15359	0.6
273.12790	4.6
273.16364	1.3
274.13516	2.0
274.16360	0.3
275.10995	0.5
275.14343	3.7
275.17902	0.8
276.11960	0.3
276.15146	0.9
277.12335	0.7
277.15955	1.6
279.11407	0.5
279.14114	0.4
279.17300	0.4
280.12418	1.4
281.09796	0.5
281.13248	1.6
281.15817	0.5
282.10492	0.8
282.14108	0.8
283.11212	3.2
283.14847	2.3
284.11996	1.6
284.15613	1.1
285.09637	0.4
285.12775	2.1
285.16403	2.8
286.10318	0.5
286.13571	1.5
286.16599	0.3
287.10934	0.7
287.14276	4.7
288.11896	0.4
288.15063	1.2
289.12103	0.4
289.16144	1.3
291.13855	0.8
291.17215	0.3
293.15698	0.6
293.18872	0.3
294.10550	0.4
294.14053	0.8
295.11179	1.1
295.14856	1.9
296.11981	1.8
296.15604	0.8
297.12787	4.3
297.16400	0.7
298.13507	3.4
298.16794	0.4
299.10895	0.4
299.14355	3.8
299.17776	0.6
300.11761	0.5
300.15121	1.0
301.12271	1.2
301.15903	2.7
301.19116	0.5
302.13132	0.4
302.16464	0.6
303.13840	0.9
303.17493	2.7
305.15674	0.6
305.18625	0.3
308.12061	0.9
308.15411	0.4
309.12598	3.6
309.16116	0.7
310.13461	1.3
310.16901	0.5
311.14282	4.2
311.17621	0.5
312.11703	0.4
312.15079	3.0
313.12271	0.9
313.15845	10.0
313.19238	0.5
314.12964	0.8
314.16559	1.7
315.13766	1.3
315.17514	1.6
315.20721	0.4
316.14661	0.4
316.18115	0.4
317.15408	0.7
317.19043	0.8
319.17029	0.7
319.20755	0.4
321.15149	0.3
321.18555	0.9
322.13705	0.4
323.14325	5.7
323.17877	0.5
324.15018	2.6
325.15912	2.3
325.19537	0.6
326.12994	0.4
326.16473	1.7
327.13797	0.8
327.17465	4.5
328.14569	0.6
328.18158	2.9
329.15350	2.3
329.19098	2.3
330.16205	0.9
331.16956	2.6
331.20639	0.5
335.17865	0.3
337.15906	0.7
338.16681	4.8
339.19705	0.3
340.18359	1.0
341.15329	1.9
341.19086	4.5
342.15958	0.4
342.19727	0.4
343.16980	0.4
343.20593	5.1
345.18561	4.2
345.22458	0.4
347.20050	2.5
351.17554	0.4
353.19006	10.2
354.19757	0.5
355.16724	0.6
355.20596	0.9
356.17615	2.1
357.18329	0.4
359.16190	0.7
359.20056	2.7
361.17523	0.3
361.21588	2.7
363.19522	0.4
369.18503	0.5
371.20068	24.3
372.20526	1.1
373.21738	1.2
374.18744	2.4
375.19547	0.3
377.21225	0.5
387.19595	0.4
389.21130	26.9
390.21426	1.7
391.22754	1.8
392.19736	0.3
397.17844	0.3
407.22192	9.8
408.22366	0.3
413.20996	0.3
425.23444	0.3
431.22275	5.4
433.23932	0.7
449.23285	16.7
450.23755	0.6
451.24768	1.0
467.24326	6.6
468.24231	0.3
471.25317	0.4
475.20969	0.3
485.24457	0.3
489.26428	0.6
549.28503	100.0
550.28833	7.1
551.30414	0.4
565.28064	0.5
567.29602	4.1
568.29736	0.5
759.39825	0.4
777.41705	0.4
837.43970	0.6
897.45441	0.5
937.48267	0.7
948.56415	0.3
955.49976	0.6
979.49500	0.3
997.50555	0.9
1015.51825	0.7
1097.54700	0.7
1115.56750	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.06
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
51.62138	1.8
53.03938	3.2
55.05511	9.6
57.03436	14.5
57.07077	62.9
57.82462	2.0
65.03932	7.3
67.01865	4.5
67.05508	100.0
69.03411	5.0
69.07051	8.3
70.02950	6.3
70.06601	3.8
71.04995	27.8
71.55377	3.3
71.94069	2.1
72.93780	8.3
79.05516	1.8
79.07229	2.2
85.06548	37.9
90.00134	5.8
95.01337	2.5
95.04977	47.6
95.08604	5.6
96.00810	2.2
96.04502	4.6
97.93605	2.0
98.00787	2.6
99.00648	3.7
113.01582	4.8
113.02377	97.9
113.03520	11.4
113.04209	4.4
113.06010	38.6
113.07968	2.0
113.09687	3.0
113.10789	2.7
114.05617	3.2
114.09165	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	113.0601
Annotation	Parasorbic acid
Peak:m/z	Relative Intensity
53.03943	0.6
55.05509	0.9
57.03444	7.8
57.07076	1.9
63.08614	0.5
65.03945	14.4
66.59160	0.5
67.01866	1.6
67.05510	100.0
68.05042	1.2
68.05852	0.8
69.03439	1.3
69.07076	5.2
70.02967	2.2
70.06594	1.6
70.94408	0.7
70.94745	1.0
71.05003	8.0
71.94107	1.6
72.93801	4.8
76.81509	0.5
79.05493	1.6
83.05002	0.7
85.02920	1.2
85.06561	3.7
89.00278	1.6
89.50378	1.5
90.00146	2.2
90.94838	1.6
91.26068	0.6
95.01337	1.0
95.04979	44.8
95.08611	4.9
96.00878	1.4
96.04511	1.0
98.50963	0.6
99.00662	1.1
113.00066	1.2
113.02377	44.6
113.03519	4.5
113.04236	3.0
113.06009	8.4
113.07180	1.1
113.07949	1.6
113.09624	3.1
114.05542	1.0
114.09214	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	2,3-DIMETHYL-1,4-HEXADIENE
Peak:m/z	Relative Intensity
53.03949	1.0
55.05516	32.6
57.07076	1.2
57.28337	0.4
58.06596	0.8
60.40365	0.5
67.05515	1.8
69.07073	100.0
69.88250	2.2
70.06599	1.3
70.07413	0.6
82.05354	0.7
83.06115	0.8
87.00471	0.7
87.50652	0.8
88.00491	2.6
99.51294	1.4
111.04483	0.7
111.05598	3.5
111.06367	0.9
111.09226	2.6
111.11698	1.1
115.42314	0.5
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
54.37743	0.3
55.01868	0.9
55.05511	0.9
57.03439	16.5
57.07068	1.7
65.03940	9.9
67.01868	0.8
67.05505	100.0
68.09667	0.3
69.03428	3.2
69.07076	0.5
69.69154	1.3
69.69563	1.0
70.02956	0.7
71.04597	0.6
71.04992	11.4
71.94084	0.6
72.36367	0.4
72.93783	1.1
79.06442	0.4
83.04991	0.6
85.02930	0.7
85.06542	3.8
89.00262	0.8
89.50386	0.6
90.00125	1.0
90.94816	0.5
95.01324	0.8
95.04969	60.4
95.08605	1.2
96.04478	0.6
102.90630	0.4
113.00021	0.8
113.01584	0.8
113.02373	16.7
113.03488	1.3
113.06004	12.6
113.07166	0.5
113.07966	0.4
113.09617	1.8
114.05566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.09127	0.5
53.03948	1.6
55.05518	8.3
60.57934	0.6
65.03938	3.0
67.05508	100.0
68.05829	0.7
69.07072	5.9
69.40561	3.6
69.40975	1.1
69.97080	0.5
74.99859	1.5
77.00194	0.7
77.50108	0.9
79.05498	5.6
80.06262	0.6
81.03440	1.2
81.07061	28.1
86.00706	1.1
86.50621	7.1
87.00478	2.9
89.00885	0.7
89.50733	0.6
91.05485	1.0
94.07814	1.0
95.51153	0.6
98.01399	1.0
107.08609	4.3
108.31143	0.6
109.06499	1.4
109.07660	2.1
109.08491	1.5
109.10163	62.0
110.06042	1.5
112.96719	1.9
113.96416	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03940	2.0
55.05513	8.4
65.03944	2.7
67.05508	100.0
68.01746	0.6
68.05841	0.9
69.07069	6.2
69.27249	4.5
69.27656	1.3
69.47057	0.5
77.50097	0.7
77.99992	0.8
79.05492	7.7
80.06288	1.0
81.03407	1.6
81.07062	30.8
82.06548	0.8
86.00699	0.7
86.50625	2.4
87.00477	5.2
89.50760	0.9
89.55327	0.6
91.05473	0.7
92.05806	0.6
94.07781	0.7
98.51237	1.3
103.74763	0.6
107.08588	3.9
109.06501	1.3
109.07635	6.6
109.08485	1.9
109.10162	63.6
110.02011	0.7
110.06043	2.4
110.07193	1.0
110.10549	0.6
113.96410	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.05514	7.7
62.30183	0.5
65.03955	3.6
65.61186	0.5
67.05505	100.0
67.93134	0.5
68.05846	0.7
69.07064	5.6
70.60089	1.5
70.93541	0.5
79.05502	5.4
80.06292	1.4
81.03421	0.8
81.07059	30.4
82.00118	0.5
86.50618	0.8
87.00467	1.1
91.05457	0.5
94.07831	1.0
105.10158	0.5
107.08584	3.3
109.06522	0.8
109.07684	3.4
109.10159	66.3
110.06064	1.1
110.07176	0.7
110.10477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.73011	1.0
53.03951	4.7
55.01879	1.4
55.05510	8.9
61.52687	0.9
65.03939	4.5
65.77523	0.9
67.05510	100.0
69.07064	5.2
71.94106	1.0
72.07443	1.0
74.99828	4.7
75.64381	0.9
77.06161	1.0
77.50100	2.6
77.99957	6.0
79.05502	10.2
81.03419	9.3
81.07066	32.1
86.00711	6.6
86.50623	17.7
87.00471	21.1
87.00968	1.7
89.00878	1.1
89.50742	2.9
91.05504	2.1
94.07813	0.9
95.51150	2.3
96.00993	1.5
96.32772	0.9
97.51479	2.0
98.01411	3.7
98.51250	5.4
107.08606	3.8
109.02899	3.6
109.06534	9.6
109.07676	4.4
109.08500	2.4
109.10167	66.3
110.02043	1.4
110.06044	4.1
111.96887	3.1
112.96735	6.3
113.96431	7.6
126.81174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03938	1.3
53.62557	0.6
55.05518	8.7
60.88121	0.6
65.03954	3.7
67.05510	100.0
69.07076	4.9
69.29390	3.8
69.29802	1.0
74.99819	1.0
77.50093	0.8
79.05495	7.2
80.06264	1.4
81.03419	1.7
81.07063	30.1
86.50621	1.6
87.00447	1.4
89.63602	0.5
90.95509	0.6
91.05493	1.2
94.07820	0.6
105.07005	0.5
107.08595	3.6
109.02885	0.8
109.06532	1.4
109.07726	4.3
109.08504	2.2
109.10166	69.7
110.06043	2.3
110.07177	1.4
110.10504	0.6
112.96690	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46570	0.7
53.03946	1.2
55.05511	8.8
65.03950	3.0
66.88792	0.7
67.05507	100.0
69.07076	5.4
69.44498	5.4
79.05493	7.6
79.18562	0.8
80.06255	0.9
81.03417	1.1
81.07061	32.8
86.00695	1.3
86.50618	2.2
87.00462	2.1
94.07816	1.4
98.01459	0.9
107.08607	3.5
109.06544	1.7
109.07654	3.3
109.10162	67.9
110.06057	1.5
118.36645	0.7
123.30361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02352	1.0
53.03711	1.2
53.03951	21.4
55.05313	1.0
55.05515	11.8
65.03954	5.1
65.04240	1.1
66.96480	1.0
67.05508	100.0
69.07076	4.8
70.57037	3.0
79.05495	16.8
79.90053	0.9
81.03423	33.5
81.07061	42.0
86.00713	1.4
87.00465	4.8
91.05476	4.4
94.04192	4.0
96.89322	1.0
107.04956	1.3
107.08591	3.4
109.02884	9.7
109.06529	23.3
109.10163	76.5
110.06056	1.6
113.96415	2.5
119.89539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03944	1.4
53.90915	0.6
55.05512	8.4
65.03947	2.4
65.99337	0.7
66.34048	0.5
67.05509	100.0
69.07069	5.6
74.99850	1.1
77.50110	1.9
77.99953	1.4
79.05495	6.7
80.06277	1.2
81.03419	2.2
81.07062	27.9
86.00706	2.1
86.50645	4.7
87.00471	4.7
89.50754	0.8
91.05482	1.0
94.07850	1.3
98.01411	1.6
98.51285	1.0
107.08589	3.4
109.06518	2.1
109.07672	1.3
109.10165	58.4
110.06050	1.8
112.96715	1.8
113.96391	1.2
129.21770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03946	3.0
55.05515	8.9
63.30655	0.6
65.03948	3.0
67.05508	100.0
69.07075	4.7
71.13799	1.5
79.05499	8.7
81.03438	3.9
81.06583	1.5
81.07062	31.0
87.00465	1.4
90.68570	0.6
91.05488	1.2
91.67705	0.7
94.04205	0.7
94.07827	1.5
100.87477	0.7
107.08595	4.3
109.02879	0.8
109.06521	5.8
109.10162	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.39419	0.6
53.03955	3.5
55.05513	9.0
58.58590	0.5
65.03943	3.0
67.05507	100.0
68.05835	0.8
69.07059	4.4
71.07186	1.2
72.62954	0.6
79.05501	7.1
80.06276	0.8
81.03426	3.8
81.07061	27.6
86.00696	1.4
87.00459	2.0
94.07820	1.2
94.94664	0.7
96.00977	0.7
99.17393	0.6
99.94805	0.6
107.08593	3.5
109.02876	1.1
109.06509	1.4
109.10159	62.7
111.85336	0.6
113.96397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.6
55.01882	0.9
55.05513	8.6
65.03945	4.4
67.05508	100.0
68.29659	0.7
69.07069	4.4
69.39996	1.9
69.40408	3.8
72.93808	0.8
75.34908	0.7
77.00190	0.8
77.99944	2.3
79.05495	12.0
80.06274	1.5
81.03419	12.1
81.07061	37.1
86.00695	3.5
86.50625	2.9
87.00464	14.5
88.18369	0.6
91.05497	2.4
94.04197	2.1
94.07838	1.7
96.00974	0.8
98.20625	0.8
98.51225	1.2
100.66676	0.7
107.04987	0.9
107.08604	4.4
108.32074	0.6
109.02893	4.6
109.03498	0.6
109.06532	13.4
109.07662	1.1
109.10162	64.1
110.06063	1.7
111.96877	1.0
112.96655	0.8
113.96427	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	109.0288
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
51.02374	2.5
53.03952	73.0
55.01867	2.4
55.05521	6.6
55.84692	1.1
58.21090	1.0
65.03944	3.3
67.05510	67.4
69.07062	4.1
69.76862	1.1
71.55339	1.2
75.67355	1.0
79.05495	12.8
80.06244	1.4
81.03422	100.0
81.07064	27.5
82.06602	1.1
86.00706	4.6
86.50613	1.4
87.00470	5.7
88.17638	1.1
91.05488	2.2
94.04207	1.6
107.08580	3.6
109.02885	36.3
109.06522	16.4
109.07671	2.2
109.10162	48.4
110.06004	1.6
113.96414	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02388	0.6
53.03949	6.4
55.01875	0.7
56.96573	8.7
58.96446	0.3
62.99079	4.8
65.03950	1.6
65.49502	0.4
69.74538	1.9
73.00139	0.4
74.00279	0.4
74.50034	2.0
74.51845	0.6
75.01046	2.2
77.03918	1.4
79.05499	100.0
80.05830	0.5
81.03419	0.5
83.00772	0.6
83.50562	2.3
83.52380	2.1
84.01578	3.4
84.08141	1.5
91.04969	0.7
91.05490	8.6
92.01295	0.5
93.02097	1.0
95.04982	7.2
95.52357	1.7
104.52879	2.5
105.04517	3.8
105.07030	2.9
107.01662	0.4
107.04964	43.7
107.08601	4.4
108.04423	0.4
108.08115	0.5
109.06513	1.2
115.74395	0.4
119.06042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02383	0.9
53.03951	4.9
62.99069	3.7
63.07748	0.8
65.03942	10.6
65.12198	1.1
67.05502	4.1
68.92947	1.0
69.68122	3.8
69.68535	1.5
79.05495	55.4
90.09644	1.1
91.05483	100.0
92.06261	2.6
95.04978	6.2
98.20934	1.6
98.21485	1.6
105.04530	2.6
105.07035	36.5
106.04193	1.7
107.04218	1.7
107.04961	41.5
107.08599	52.3
109.06522	15.2
119.06094	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	1089.482
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07017	0.3
81.61708	0.2
91.05435	0.2
95.51667	0.2
98.20782	0.5
136.06190	1.2
196.38850	0.3
309.56076	0.3
335.25797	0.3
397.12927	0.7
398.13651	0.3
399.14069	0.3
409.13113	0.4
410.13742	1.2
411.14673	2.4
412.15250	1.9
413.15878	1.2
423.15063	0.5
424.10587	0.5
424.16061	1.2
425.16275	4.9
426.16876	3.6
427.17300	1.4
428.18411	0.6
436.15463	0.3
437.11746	0.4
437.16943	0.5
438.12271	2.3
439.13467	7.9
440.18881	3.0
441.19315	16.5
442.19864	1.6
451.13467	0.6
452.14426	3.0
453.15283	8.3
454.15808	2.0
457.14868	0.5
458.15939	0.3
463.13995	0.3
465.15292	0.4
466.16174	0.7
467.17245	13.8
468.17798	8.6
469.13095	0.3
469.18887	6.4
470.19022	0.9
471.16904	0.4
472.16782	0.3
477.15784	0.3
478.16159	0.7
480.14801	1.0
481.14774	9.4
482.15250	2.8
483.15903	0.4
485.18536	0.4
493.15393	0.4
494.17062	0.4
495.16528	14.0
496.17020	21.9
497.17706	2.6
498.18979	0.4
499.20084	0.5
500.20370	0.3
508.19232	0.4
509.18069	1.7
510.18903	0.7
512.20471	0.5
513.18286	0.3
514.22919	1.3
522.17731	0.4
523.19781	0.8
524.16821	0.3
525.17615	0.4
526.18298	0.4
527.23798	1.7
528.19952	0.9
531.30420	0.2
536.19574	1.3
537.19257	1.7
538.18530	0.6
540.19885	0.6
542.21533	0.9
555.22479	15.2
556.22723	1.0
567.18378	0.4
568.19403	0.6
582.20496	0.4
583.21924	47.4
584.22260	6.0
585.21570	0.4
586.21271	0.3
587.24896	0.8
599.21094	0.3
600.21582	0.6
610.21198	0.5
611.21558	1.5
614.23682	0.6
615.24512	2.9
622.27179	0.4
642.23303	17.2
643.23840	100.0
644.24054	5.8
905.77216	0.3
972.72040	0.3
1105.83215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
53.03946	8.7
60.08137	2.0
71.55499	3.5
72.56136	1.9
75.22051	2.3
79.05499	31.9
92.20548	2.0
95.04971	9.9
103.05466	19.8
105.04504	4.6
105.07039	100.0
105.11118	10.1
108.61211	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	1051.652
Annotation	Unknow
Peak:m/z	Relative Intensity
185.49417	0.8
218.32410	1.0
254.67174	0.8
310.71548	0.7
403.19427	1.5
404.20047	1.2
419.22400	1.8
430.17834	1.0
431.18124	4.3
433.23923	2.9
434.24548	1.2
445.19949	5.3
446.21039	2.9
447.21768	3.5
459.22015	2.2
460.22513	6.5
461.23441	6.5
473.23529	1.3
492.24945	1.4
505.22705	2.6
533.25543	27.3
534.25513	2.3
593.27600	100.0
594.27734	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.2
56.53798	0.8
56.96573	6.0
57.03429	1.0
58.13393	0.7
59.23449	0.8
62.22865	0.9
67.51039	1.0
71.55253	1.0
77.03934	2.8
79.01854	1.9
79.52057	1.9
81.03414	1.8
85.02909	1.8
86.03233	1.8
87.04440	1.8
95.04980	13.0
102.04696	2.2
103.03963	2.9
103.05470	100.0
104.10752	3.8
105.04512	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Choline
Peak:m/z	Relative Intensity
58.06597	3.4
59.07388	1.1
60.08167	34.4
68.05046	0.2
69.03434	2.6
70.57100	0.4
70.57437	0.3
71.40159	0.2
73.01080	0.2
86.06061	1.1
87.04466	7.0
98.21267	0.4
104.10747	100.0
111.90020	0.2
114.40889	0.2
123.55280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.22136	1.0
52.28414	1.1
53.03949	8.7
54.13412	1.1
62.52590	1.0
64.01873	1.7
77.03920	2.5
79.05495	29.9
81.03429	1.5
87.66711	1.0
88.04792	1.1
95.04977	7.5
103.05475	21.2
105.04543	5.8
105.07038	100.0
105.11080	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.2
53.03952	19.8
56.96569	15.3
57.03433	1.5
58.50550	1.6
58.96177	1.6
60.08144	1.3
60.95849	1.2
66.92485	0.8
67.01675	0.8
67.51057	3.8
68.01218	1.5
69.03426	1.1
70.01330	1.3
70.45703	3.2
70.51543	1.2
76.51582	1.0
77.03924	4.6
79.01861	6.5
79.51045	0.7
79.52036	3.3
81.03419	2.3
85.02902	3.7
86.06071	1.3
87.04463	3.0
88.02384	1.7
88.52565	1.1
95.04980	18.3
98.21449	1.0
102.04701	3.5
103.04048	4.9
103.05476	100.0
104.10757	6.7
105.04520	9.5
116.25910	0.7
120.50082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5954
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01352	2.2
71.05011	4.8
73.02918	5.6
79.05500	55.0
81.03423	12.7
81.07063	73.5
83.04993	10.3
83.08623	16.6
85.02914	29.9
85.03436	1.4
85.06553	4.0
87.04495	5.8
91.03977	9.3
91.04496	1.4
91.05486	34.5
93.07053	51.4
95.04980	8.4
95.08614	50.8
95.47768	1.1
96.04524	1.6
97.02904	12.8
97.06537	6.3
97.10171	18.6
98.21523	2.5
99.04449	2.4
99.08126	2.4
103.03945	1.7
103.05470	0.8
105.04559	1.6
105.06379	1.8
105.07044	21.3
107.04967	5.1
107.08605	34.1
109.02876	1.0
109.06535	4.9
109.10166	79.7
111.04425	1.8
111.08109	6.5
113.06018	1.2
115.05501	1.3
117.07053	10.1
119.08596	25.7
121.06477	2.0
121.10161	25.2
123.08083	3.6
123.11708	5.5
125.09642	19.7
127.03960	5.6
127.11182	1.2
129.05493	2.5
129.07033	2.6
130.07782	1.1
131.08571	15.7
133.10139	12.8
135.08092	2.8
135.11708	15.9
137.09625	5.1
137.13295	1.9
139.11183	2.4
141.09048	1.3
143.08611	2.6
143.10672	3.1
145.04945	4.6
145.10147	14.9
147.08054	1.9
147.11687	8.7
149.09654	2.3
149.13278	7.1
151.11176	1.4
153.12775	3.9
155.10660	6.8
157.08609	1.3
157.10172	3.7
159.11688	7.9
161.13246	8.2
163.06033	4.8
163.11195	10.1
163.14859	4.2
163.69879	1.0
171.11736	2.0
173.09625	2.2
173.10085	1.9
173.11754	20.7
173.13304	7.8
175.11189	1.2
175.14847	2.8
177.12805	1.1
177.16437	1.2
181.12242	2.7
183.11711	1.4
185.11755	1.3
185.13243	2.2
187.14861	2.9
189.11296	1.1
193.12231	3.4
197.13110	1.4
199.13283	7.3
199.14937	1.7
205.06773	1.0
209.11816	8.6
211.13292	2.1
213.16634	1.0
217.14357	2.7
227.12801	11.4
229.14368	71.6
243.21095	6.4
245.13756	1.8
255.21306	1.1
259.20648	3.1
261.22192	23.1
265.14429	1.4
267.15961	7.0
277.21674	2.5
279.22971	1.2
283.15457	4.2
285.16946	1.8
289.21698	2.1
297.22000	1.2
299.23715	1.8
301.12985	1.5
301.16473	26.5
313.21823	1.2
315.23135	3.3
317.24805	4.3
327.23224	1.8
333.24173	1.5
335.25827	100.0
336.26208	1.6
363.25592	1.3
389.27002	1.4
399.23807	24.5
403.09299	1.1
415.32059	1.5
419.28003	1.0
427.65967	1.0
433.30807	1.2
459.34445	1.3
469.63489	1.3
477.35776	10.5
487.34042	1.5
489.35773	25.4
507.36551	1.7
515.03717	1.0
517.34869	1.4
525.35388	1.2
543.36963	8.3
561.37805	14.1
579.38983	8.6
659.45172	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5949
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70618	1.9
70.71004	1.9
71.01354	2.0
71.04998	3.9
73.02911	4.1
77.03922	1.1
79.05495	44.6
80.61066	0.8
81.03419	8.7
81.07059	60.8
83.04984	7.0
83.08624	14.4
85.02907	18.9
85.06538	2.9
87.04456	3.1
89.17416	0.7
91.03969	7.9
91.05485	28.7
93.07046	46.6
95.04987	5.9
95.08609	43.2
97.02892	10.7
97.06532	5.7
97.10171	14.4
99.04480	1.4
99.08101	1.0
101.02383	0.8
103.03945	1.0
105.04512	1.0
105.06385	1.2
105.07040	16.5
107.04932	4.3
107.08603	27.6
109.02874	0.8
109.06500	2.7
109.10159	63.4
111.04465	1.1
111.08103	5.0
115.05450	0.8
117.07011	8.0
117.31929	0.8
119.07793	1.6
119.08585	17.6
121.09315	1.5
121.10151	21.5
123.08064	2.9
123.11724	5.4
125.09633	11.2
127.03938	2.4
129.05481	1.5
129.07014	2.3
130.07835	1.2
131.08556	13.1
133.10130	9.7
135.08066	2.3
135.11694	16.1
137.09592	4.7
137.13246	2.1
139.11128	1.8
143.08627	1.7
143.10638	2.1
144.06604	1.0
145.04985	2.8
145.10133	11.9
147.08014	1.1
147.11696	8.6
149.09602	1.7
149.13268	7.8
151.11127	1.0
153.12747	3.3
155.08566	2.0
155.10612	4.3
156.13730	0.9
157.10179	1.5
159.11694	7.3
161.13251	4.3
163.06029	4.4
163.11189	8.1
163.14798	3.0
165.12773	1.8
171.11668	1.4
173.09599	1.7
173.11742	16.1
173.13268	6.4
175.11169	1.5
175.14815	3.0
181.12257	2.1
185.11670	1.6
185.13210	1.7
187.14821	3.0
189.11195	1.7
191.10771	1.5
191.14449	1.1
193.12257	2.7
197.13214	0.9
199.13301	5.1
199.14847	1.1
201.16374	1.2
209.11678	6.3
211.13286	1.9
217.14427	1.1
227.12779	8.8
229.14360	53.3
233.22729	1.5
243.21101	5.6
245.13824	1.4
248.02733	0.8
257.13831	3.4
259.20517	2.1
261.22128	19.8
267.15906	6.4
271.20587	1.0
277.21597	1.5
283.15396	3.6
289.21527	1.4
297.22073	1.4
299.23642	1.8
301.16458	16.7
315.23053	1.4
317.24725	3.4
319.49228	0.8
327.23038	1.1
333.24194	1.4
335.25806	100.0
336.25940	1.0
351.25217	1.8
363.25034	1.6
389.26862	0.8
399.23767	14.0
443.38394	1.0
451.32019	1.3
459.34360	1.7
469.33191	1.3
477.35782	8.2
487.33908	1.3
489.28824	1.7
489.35800	26.6
507.36099	1.0
525.35980	1.0
543.36688	4.3
561.37750	12.3
579.38763	5.8
659.45190	40.1
660.44836	1.3
833.33936	1.0
833.50372	0.9
END